data_r4d5asf
# 
_audit.revision_id     1_0 
_audit.creation_date   ? 
_audit.update_record   'Initial release' 
# 
_cell.entry_id      4d5a 
_cell.length_a      48.0940 
_cell.length_b      70.1520 
_cell.length_c      78.8520 
_cell.angle_alpha   65.2210 
_cell.angle_beta    89.8900 
_cell.angle_gamma   80.1840 
# 
_diffrn.id                  1 
_diffrn.crystal_id          1 
_diffrn.ambient_temp        ? 
_diffrn.crystal_treatment   ? 
_diffrn.details             ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97949 
# 
_diffrn_reflns.diffrn_id         1 
_diffrn_reflns.pdbx_d_res_high   1.600 
_diffrn_reflns.pdbx_d_res_low    71.376 
_diffrn_reflns.limit_h_max       30 
_diffrn_reflns.limit_h_min       -30 
_diffrn_reflns.limit_k_max       43 
_diffrn_reflns.limit_k_min       -39 
_diffrn_reflns.limit_l_max       49 
_diffrn_reflns.limit_l_min       0 
_diffrn_reflns.number            121341 
_diffrn_reflns.pdbx_number_obs   110175 
# 
_entry.id   4d5a 
# 
_exptl_crystal.id   1 
# 
_reflns_scale.group_code   1 
# 
_symmetry.entry_id               4d5a 
_symmetry.space_group_name_H-M   'P 1' 
_symmetry.Int_Tables_number      1 
# 
_symmetry_equiv.id           1 
_symmetry_equiv.pos_as_xyz   'X,  Y,  Z' 
# 
#
loop_
_refln.crystal_id
_refln.wavelength_id
_refln.scale_group_code
_refln.index_h
_refln.index_k
_refln.index_l
_refln.status
_refln.F_meas_au
_refln.F_meas_sigma_au
_refln.intensity_meas
_refln.intensity_sigma
_refln.pdbx_I_plus
_refln.pdbx_I_plus_sigma
_refln.pdbx_I_minus
_refln.pdbx_I_minus_sigma
_refln.pdbx_F_plus
_refln.pdbx_F_plus_sigma
_refln.pdbx_F_minus
_refln.pdbx_F_minus_sigma
_refln.pdbx_anom_difference
_refln.pdbx_anom_difference_sigma
1 1 1  -29  -15    1 o  126.310   47.651  351.833  205.104   0.0000   0.0000  351.833  205.104  ?   ?   126.310   47.651 0.000000 47.65131 
1 1 1  -29  -14    1 o   86.197   39.465   34.558  191.275   0.0000   0.0000   34.558  191.275  ?   ?    86.197   39.465 0.000000 39.46550 
1 1 1  -29  -13    1 o  131.316   48.581  364.271  211.119   0.0000   0.0000  364.271  211.119  ?   ?   131.316   48.581 0.000000 48.58050 
1 1 1  -29  -13    2 o  179.938   47.119  627.760  214.227   0.0000   0.0000  627.760  214.227  ?   ?   179.938   47.119 0.000000 47.11909 
1 1 1  -29  -12    1 o  223.169   17.218  664.128   95.216  569.065  104.800  1113.73  227.913  203.462   20.925  265.064   35.311 -61.60170 41.04516 
1 1 1  -29  -12    2 o  121.058   18.009  199.075   52.785  195.740   54.929  239.299  190.770  119.469   19.052  113.416   45.063 6.053795 48.92472 
1 1 1  -29  -11    1 o  184.206   17.904  454.725   81.317  455.126   88.602  452.582  204.783  183.006   19.698  151.602   48.140 31.40327 52.01452 
1 1 1  -29  -11    2 o   83.517   19.180   96.974   39.157   94.167   40.036  158.800  187.895   82.075   19.769  102.496   43.139 -20.42073 47.45320 
1 1 1  -29  -10    1 o   86.895   19.595  104.867   41.505  109.642   42.511   7.5507  191.911   88.860   19.677   86.275   39.512 2.585182 44.14058 
1 1 1  -29  -10    2 o   71.806   19.483   71.629   35.825   70.664   36.523   96.142  184.038   71.299   19.805   94.711   41.312 -23.41239 45.81382 
1 1 1  -29   -9    1 f  109.440   18.575  162.951   48.948  159.509   50.737  209.204  185.981  107.788   19.571  111.414   44.422 -3.626724 48.54219 
1 1 1  -29   -9    2 o   87.498   19.552  106.154   41.645  100.045   42.718  223.125  186.917   84.585   20.450  113.390   44.747 -28.80535 49.19806 
1 1 1  -29   -8    1 o  116.165   18.866  183.380   52.850  188.680   54.996  119.423  191.031  117.601   19.404   99.333   42.708 18.26853 46.90915 
1 1 1  -29   -8    2 f  116.945   18.600  185.501   52.499  187.840   54.615  157.064  190.466  117.346   19.309  104.100   43.604 13.24662 47.68785 
1 1 1  -29   -7    1 o  186.805   17.320  463.184   79.878  415.078   86.346  748.641  210.337  174.979   20.128  212.683   41.091 -37.70377 45.75552 
1 1 1  -29   -7    2 o   64.069   20.099   55.384   35.792   55.393   36.487   55.153  184.362   64.144   20.315   90.976   40.444 -26.83199 45.25945 
1 1 1  -29   -6    1 f  199.263   17.900  528.404   88.118  494.195   95.896  713.997  223.363  190.911   20.432  202.041   45.380 -11.13049 49.76777 
1 1 1  -29   -6    2 o  109.214   20.097  163.994   52.790  163.994   52.790   0.0000   0.0000  109.214   20.097  ?   ?  0.000000 20.09677 
1 1 1  -29   -5    1 o  119.576   19.872  195.383   57.256  195.383   57.256   0.0000   0.0000  119.576   19.872  ?   ?  0.000000 19.87207 
1 1 1  -28  -20    1 o   65.561   31.781 -112.0025  161.436   0.0000   0.0000 -112.0025  161.436  ?   ?    65.561   31.781 0.000000 31.78053 
1 1 1  -28  -20    2 o  108.250   43.018  269.817  173.879   0.0000   0.0000  269.817  173.879  ?   ?   108.250   43.018 0.000000 43.01806 
1 1 1  -28  -19    1 o  107.820   43.100  244.107  175.516   0.0000   0.0000  244.107  175.516  ?   ?   107.820   43.100 0.000000 43.09963 
1 1 1  -28  -19    2 f   68.567   32.910 -83.5433  163.091   0.0000   0.0000 -83.5433  163.091  ?   ?    68.567   32.910 0.000000 32.90972 
1 1 1  -28  -18    1 o   73.540   34.618 -42.0263  163.766   0.0000   0.0000 -42.0263  163.766  ?   ?    73.540   34.618 0.000000 34.61836 
1 1 1  -28  -18    2 o  121.841   45.210  322.265  183.113   0.0000   0.0000  322.265  183.113  ?   ?   121.841   45.210 0.000000 45.21017 
1 1 1  -28  -18    3 o  165.575   47.188  584.868  204.582   0.0000   0.0000  584.868  204.582  ?   ?   165.575   47.188 0.000000 47.18758 
1 1 1  -28  -17    1 o   98.204   41.219  155.232  170.784   0.0000   0.0000  155.232  170.784  ?   ?    98.204   41.219 0.000000 41.21949 
1 1 1  -28  -17    2 o  119.329   44.457  290.386  177.419   0.0000   0.0000  290.386  177.419  ?   ?   119.329   44.457 0.000000 44.45737 
1 1 1  -28  -17    3 o  125.223   45.343  332.019  182.435   0.0000   0.0000  332.019  182.435  ?   ?   125.223   45.343 0.000000 45.34343 
1 1 1  -28  -16    1 o   95.481   40.706  126.280  170.922   0.0000   0.0000  126.280  170.922  ?   ?    95.481   40.706 0.000000 40.70584 
1 1 1  -28  -16    2 o  190.721   44.098  668.638  205.829   0.0000   0.0000  668.638  205.829  ?   ?   190.721   44.098 0.000000 44.09793 
1 1 1  -28  -16    3 o  115.599   42.958  257.310  165.448   0.0000   0.0000  257.310  165.448  ?   ?   115.599   42.958 0.000000 42.95830 
1 1 1  -28  -16    4 o  180.447   44.027  614.270  196.633   0.0000   0.0000  614.270  196.633  ?   ?   180.447   44.027 0.000000 44.02703 
1 1 1  -28  -15    1 o  121.434   44.898  279.357  180.276   0.0000   0.0000  279.357  180.276  ?   ?   121.434   44.898 0.000000 44.89834 
1 1 1  -28  -15    2 o  141.859   46.280  394.950  188.393   0.0000   0.0000  394.950  188.393  ?   ?   141.859   46.280 0.000000 46.28017 
1 1 1  -28  -15    3 o   74.388   34.484 -30.3704  152.602   0.0000   0.0000 -30.3704  152.602  ?   ?    74.388   34.484 0.000000 34.48402 
1 1 1  -28  -15    4 o  133.855   44.999  353.988  177.745   0.0000   0.0000  353.988  177.745  ?   ?   133.855   44.999 0.000000 44.99858 
1 1 1  -28  -15    5 o  116.019   43.516  262.084  170.541   0.0000   0.0000  262.084  170.541  ?   ?   116.019   43.516 0.000000 43.51563 
1 1 1  -28  -14    1 o  223.793   41.990  849.704  226.042   0.0000   0.0000  849.704  226.042  ?   ?   223.793   41.990 0.000000 41.98986 
1 1 1  -28  -14    2 o   91.620   39.156   95.124  158.853   0.0000   0.0000   95.124  158.853  ?   ?    91.620   39.156 0.000000 39.15569 
1 1 1  -28  -14    3 o  178.151   43.811  569.090  193.551   0.0000   0.0000  569.090  193.551  ?   ?   178.151   43.811 0.000000 43.81142 
1 1 1  -28  -14    4 o   91.261   39.477   93.697  165.210   0.0000   0.0000   93.697  165.210  ?   ?    91.261   39.477 0.000000 39.47657 
1 1 1  -28  -14    5 o  155.606   44.815  459.187  183.603   0.0000   0.0000  459.187  183.603  ?   ?   155.606   44.815 0.000000 44.81501 
1 1 1  -28  -13    1 o  108.528   43.389  189.967  177.911   0.0000   0.0000  189.967  177.911  ?   ?   108.528   43.389 0.000000 43.38911 
1 1 1  -28  -13    2 o  242.487   38.235  946.106  223.854   0.0000   0.0000  946.106  223.854  ?   ?   242.487   38.235 0.000000 38.23469 
1 1 1  -28  -13    3 o  107.526   41.697  190.729  159.974   0.0000   0.0000  190.729  159.974  ?   ?   107.526   41.697 0.000000 41.69696 
1 1 1  -28  -13    4 o  111.727   42.418  216.811  163.182   0.0000   0.0000  216.811  163.182  ?   ?   111.727   42.418 0.000000 42.41821 
1 1 1  -28  -13    5 o  112.291   42.790  223.858  166.438   0.0000   0.0000  223.858  166.438  ?   ?   112.291   42.790 0.000000 42.78986 
1 1 1  -28  -13    6 o  147.270   45.001  412.966  180.770   0.0000   0.0000  412.966  180.770  ?   ?   147.270   45.001 0.000000 45.00100 
1 1 1  -28  -12    1 o  125.550   17.171  210.461   52.423  197.350   55.184  331.771  167.859  120.696   18.932  137.060   43.591 -16.36414 47.52507 
1 1 1  -28  -12    2 o  400.467   19.915  2148.96  199.157  1716.81  249.443  2908.78  330.760  343.838   29.332  446.879   29.811 -103.0408 41.82143 
1 1 1  -28  -12    3 o   81.284   36.635   9.1860  156.999   0.0000   0.0000   9.1860  156.999  ?   ?    81.284   36.635 0.000000 36.63464 
1 1 1  -28  -12    4 f  151.053   44.669  414.372  180.273   0.0000   0.0000  414.372  180.273  ?   ?   151.053   44.669 0.000000 44.66887 
1 1 1  -28  -12    5 o  102.789   41.157  163.810  160.344   0.0000   0.0000  163.810  160.344  ?   ?   102.789   41.157 0.000000 41.15709 
1 1 1  -28  -12    6 o  225.686   40.471  853.524  219.706   0.0000   0.0000  853.524  219.706  ?   ?   225.686   40.471 0.000000 40.47099 
1 1 1  -28  -11    1 o  151.862   17.821  307.278   66.298  332.301   71.820  163.082  172.407  157.554   18.614  105.462   42.518 52.09161 46.41401 
1 1 1  -28  -11    2 o  327.967   18.513  1428.23  151.003  1184.43  182.052  1965.80  270.332  291.203   25.286  368.496   29.628 -77.29279 38.95118 
1 1 1  -28  -11    3 o  129.233   17.123  222.692   53.898  205.671   56.711  381.601  173.279  123.219   19.045  147.113   43.861 -23.89369 47.81743 
1 1 1  -28  -11    4 o  168.793   16.274  376.000   67.744  316.429   72.758  764.106  185.710  152.958   19.491  223.204   34.425 -70.24577 39.56007 
1 1 1  -28  -11    5 o  130.522   44.745  310.547  175.785   0.0000   0.0000  310.547  175.785  ?   ?   130.522   44.745 0.000000 44.74546 
1 1 1  -28  -11    6 o  295.776   37.910  1402.25  273.561   0.0000   0.0000  1402.25  273.561  ?   ?   295.776   37.910 0.000000 37.91000 
1 1 1  -28  -10    1 o  189.584   17.137  474.260   80.256  441.867   88.238  629.404  193.106  181.342   19.807  197.119   40.582 -15.77736 45.15789 
1 1 1  -28  -10    2 o  191.027   16.970  481.245   80.108  447.669   88.497  633.575  188.499  182.516   19.731  198.960   39.333 -16.44440 44.00484 
1 1 1  -28  -10    3 o  116.006   17.477  180.188   49.057  167.650   51.160  323.378  172.891  111.103   19.130  135.444   44.342 -24.34095 48.29280 
1 1 1  -28  -10    4 o  193.380   16.576  492.698   79.273  424.409   86.538  848.924  197.650  177.381   19.878  235.976   34.566 -58.59511 39.87423 
1 1 1  -28  -10    5 o   97.863   18.377  130.315   43.261  119.842   44.716  283.525  171.025   93.183   19.826  126.523   44.092 -33.34055 48.34419 
1 1 1  -28  -10    6 o  153.890   16.487  313.611   62.373  255.103   66.114  787.213  188.101  136.858   19.930  226.507   34.331 -89.64888 39.69704 
1 1 1  -28  -10    7 o  158.174   44.849  452.190  185.292   0.0000   0.0000  452.190  185.292  ?   ?   158.174   44.849 0.000000 44.84862 
1 1 1  -28   -9    1 o  193.451   16.555  491.400   79.203  424.371   87.114  810.975  190.215  177.714   19.976  232.933   33.679 -55.21893 39.15751 
1 1 1  -28   -9    2 o  184.153   17.393  448.042   79.035  444.279   87.697  464.319  182.384  182.052   19.599  165.281   43.571 16.77074 47.77587 
1 1 1  -28   -9    3 o   71.373   19.582   69.949   35.954   74.469   36.879 -16.8254  161.586   73.552   19.688   80.368   36.596 -6.816147 41.55576 
1 1 1  -28   -9    4 o  186.196   16.354  455.694   75.270  386.690   81.903  830.649  190.922  169.509   19.717  235.323   33.429 -65.81398 38.81091 
1 1 1  -28   -9    5 o  146.637   16.331  283.938   58.784  237.863   62.003  693.419  184.840  132.667   19.280  211.333   36.335 -78.66603 41.13300 
1 1 1  -28   -9    6 o   65.948   19.130   59.339   33.348   51.877   33.994  249.957  171.819   62.283   19.595  120.153   43.928 -57.87043 48.10063 
1 1 1  -28   -9    7 o   81.481   18.843   91.455   37.577   82.590   38.514  266.947  171.355   77.141   19.871  122.882   44.015 -45.74128 48.29239 
1 1 1  -28   -8    1 o  185.549   16.372  451.454   75.082  380.059   81.765  835.395  189.613  168.267   19.840  237.748   32.812 -69.48058 38.34410 
1 1 1  -28   -8    2 o   97.904   19.107  130.451   45.037  136.566   46.907   58.317  161.107  100.083   19.469   89.741   38.901 10.34190 43.50094 
1 1 1  -28   -8    3 o  251.337   17.235  830.592  107.518  710.331  123.429  1208.93  218.923  228.880   21.861  288.455   30.872 -59.57539 37.82804 
1 1 1  -28   -8    4 o  182.154   17.332  438.347   77.887  418.667   85.441  535.112  189.460  176.594   19.711  178.735   42.976 -2.141403 47.28111 
1 1 1  -28   -8    5 o  127.234   17.212  215.497   53.282  196.964   55.839  404.034  178.105  120.676   19.171  152.493   44.203 -31.81662 48.18114 
1 1 1  -28   -8    6 o  110.761   18.660  166.022   49.778  180.383   52.013   9.5946  171.662  115.550   18.662   84.852   38.269 30.69859 42.57665 
1 1 1  -28   -8    7 o   57.541   18.903   42.954   31.408   45.269   31.993 -18.5552  164.892   58.781   19.066   80.299   36.720 -21.51749 41.37522 
1 1 1  -28   -7    1 o  230.551   17.581  699.679  100.454  644.082  114.196  889.887  211.221  218.653   21.180  242.080   36.039 -23.42676 41.80212 
1 1 1  -28   -7    2 o  128.242   18.037  219.508   56.165  221.184   59.405  205.382  172.430  128.239   19.136  114.053   43.531 14.18576 47.55162 
1 1 1  -28   -7    3 o  255.755   17.833  862.154  113.183  785.793  131.852  1075.99  220.644  240.695   22.186  269.125   33.561 -28.42920 40.23116 
1 1 1  -28   -7    4 o  113.600   18.286  173.446   50.113  171.404   52.526  194.143  167.236  112.432   19.410  111.557   42.801 0.8757553 46.99654 
1 1 1  -28   -7    5 f   72.774   19.778   72.797   36.881   71.483   37.822   98.224  166.408   72.120   20.198   95.796   40.473 -23.67667 45.23305 
1 1 1  -28   -7    6 o  137.453   17.533  251.465   58.810  247.766   62.155  283.077  181.725  135.797   18.836  127.116   45.348 8.681259 49.10467 
1 1 1  -28   -7    7 o   87.098   18.923  103.959   39.980   95.197   41.087  259.988  173.384   82.936   20.058  122.705   44.239 -39.76870 48.57388 
1 1 1  -28   -7    8 f   52.477   18.815   32.338   31.320   32.338   31.320   0.0000   0.0000   52.477   18.815  ?   ?  0.000000 18.81526 
1 1 1  -28   -6    1 o  308.215   19.129  1258.39  146.503  1159.46  177.248  1471.70  260.275  290.370   24.678  315.641   33.534 -25.27100 41.63617 
1 1 1  -28   -6    2 o  212.785   17.132  594.815   90.260  525.002  100.345  890.679  206.574  197.651   20.635  243.488   34.978 -45.83722 40.61125 
1 1 1  -28   -6    3 o  107.385   18.804  155.757   48.587  155.418   50.690  159.588  170.454  106.890   19.717  106.202   42.466 0.6877289 46.82030 
1 1 1  -28   -6    4 o  177.967   17.084  417.243   74.990  384.895   81.806  587.441  187.646  169.437   19.702  191.194   40.559 -21.75703 45.09074 
1 1 1  -28   -6    5 o   41.349   16.904   9.6667   27.695   9.2573   28.123   22.820  159.405   41.439   16.998   84.863   37.672 -43.42452 41.32959 
1 1 1  -28   -6    6 o  148.178   17.225  290.859   62.547  270.828   66.681  437.558  180.451  141.897   19.321  159.953   43.863 -18.05556 47.92938 
1 1 1  -28   -6    7 o   98.824   40.872  121.879  164.340   0.0000   0.0000  121.879  164.340  ?   ?    98.824   40.872 0.000000 40.87160 
1 1 1  -28   -6    8 o  133.720   18.955  240.854   61.523  240.854   61.523   0.0000   0.0000  133.720   18.955  ?   ?  0.000000 18.95482 
1 1 1  -28   -5    1 o  303.613   20.080  1227.99  151.382  1235.12  184.107  1213.09  265.992  299.628   24.830  278.966   39.270 20.66156 46.46080 
1 1 1  -28   -5    2 o  178.384   17.187  419.008   75.613  383.641   82.076  617.412  194.400  169.218   19.797  196.128   41.012 -26.91058 45.53985 
1 1 1  -28   -5    3 o   95.516   19.213  124.220   44.240  115.446   45.706  254.421  176.069   91.555   20.501  123.290   44.560 -31.73450 49.05026 
1 1 1  -28   -5    4 o  213.020   16.933  595.636   89.330  496.221   97.591  1109.36  221.845  192.040   20.676  274.181   33.069 -82.14043 39.00053 
1 1 1  -28   -5    5 o  144.909   17.985  279.315   63.683  287.918   68.046  218.618  180.745  146.632   19.032  116.395   44.534 30.23662 48.43080 
1 1 1  -28   -5    6 o  230.188   17.411  697.679   99.342  609.045  111.239  1046.83  220.783  212.325   21.266  264.365   34.248 -52.03973 40.31367 
1 1 1  -28   -5    7 o  151.729   17.237  304.879   64.153  276.500   67.925  539.302  195.222  143.298   19.487  178.209   44.106 -34.91072 48.21934 
1 1 1  -28   -5    8 o  150.704   19.200  305.149   70.614  305.149   70.614   0.0000   0.0000  150.704   19.200  ?   ?  0.000000 19.19963 
1 1 1  -28   -4    1 o  375.561   21.244  1890.52  198.415  1743.77  248.538  2148.43  329.474  351.115   28.594  378.796   35.235 -27.68027 45.37771 
1 1 1  -28   -4    2 o   79.623   20.323   87.373   40.544   85.631   41.736  116.584  170.909   78.740   20.884   99.758   41.503 -21.01801 46.46144 
1 1 1  -28   -4    3 f  125.244   17.929  209.219   54.474  192.772   56.884  391.067  189.152  119.332   19.782  149.529   46.090 -30.19752 50.15544 
1 1 1  -28   -4    4 o  130.671   18.275  228.039   58.002  227.211   61.044  235.734  186.078  129.907   19.413  119.688   45.331 10.21980 49.31270 
1 1 1  -28   -4    5 o  276.330   18.046  1006.62  123.843  861.027  142.970  1444.18  247.850  251.361   23.033  314.441   32.011 -63.07962 39.43632 
1 1 1  -28   -4    6 o  248.267   17.517  811.196  107.900  659.369  122.320  1343.65  229.068  220.025   22.583  305.041   30.480 -85.01550 37.93401 
1 1 1  -28   -4    7 o  265.484   19.385  938.404  127.628  936.781  148.565  942.976  249.339  262.060   22.933  239.454   43.292 22.60602 48.99064 
1 1 1  -28   -3    1 o  459.601   24.721  2897.97  282.687  2767.33  369.332  3082.76  439.259  431.121   34.597  443.152   40.129 -12.03098 52.98375 
1 1 1  -28   -3    2 o  110.615   19.033  165.245   50.678  146.836   52.467  421.462  195.737  103.307   21.052  154.697   46.729 -51.39008 51.25270 
1 1 1  -28   -3    3 o   47.186   18.327   20.048   30.941   19.910   31.454   24.160  172.037   47.365   18.455   87.626   39.005 -40.26120 43.15106 
1 1 1  -28   -3    4 o   91.166   19.610  113.753   43.320  104.571   44.679  257.795  176.961   86.959   20.846  123.837   44.686 -36.87779 49.30922 
1 1 1  -28   -3    5 o  280.037   39.754  1232.41  270.197   0.0000   0.0000  1232.41  270.197  ?   ?   280.037   39.754 0.000000 39.75404 
1 1 1  -28   -3    6 o  223.179   21.227  671.708  116.876  671.708  116.876   0.0000   0.0000  223.179   21.227  ?   ?  0.000000 21.22670 
1 1 1  -28   -3    7 o  299.917   20.047  1201.17  149.276  1180.97  178.478  1248.18  272.328  292.600   24.656  280.918   39.946 11.68152 46.94234 
1 1 1  -28   -2    1 o  189.388   18.852  477.085   87.973  507.035   96.980  337.950  209.028  194.380   20.278  136.535   48.644 57.84546 52.70097 
1 1 1  -28   -2    2 f  165.768   18.181  364.728   74.027  361.164   79.401  388.414  204.711  164.082   19.777  146.440   48.266 17.64159 52.16021 
1 1 1  -28   -2    3 o  102.505   19.561  143.028   48.245  137.680   49.942  217.706  186.637  100.087   20.667  116.541   45.081 -16.45364 49.59247 
1 1 1  -28   -2    4 o   84.462   20.280   98.371   42.234   90.082   43.381  248.878  184.855   80.616   21.249  121.886   45.386 -41.27003 50.11340 
1 1 1  -28   -2    5 o  159.947   18.610  340.857   72.942  361.421   78.451  209.677  198.146  164.259   19.507  115.400   45.902 48.85895 49.87528 
1 1 1  -28   -2    6 o  191.059   18.303  484.083   86.259  490.016   94.613  454.871  209.948  191.092   20.130  158.191   48.524 32.90161 52.53342 
1 1 1  -28   -2    7 o  171.261   19.685  393.451   82.656  393.451   82.656   0.0000   0.0000  171.261   19.685  ?   ?  0.000000 19.68507 
1 1 1  -28   -1    1 o  123.035   18.905  203.735   56.226  194.949   58.614  305.052  199.032  119.643   20.347  130.927   47.368 -11.28390 51.55347 
1 1 1  -28   -1    2 o  110.964   20.178  167.959   53.854  185.760   56.139 -37.4671  190.709  116.935   19.940   84.282   38.887 32.65382 43.70105 
1 1 1  -28   -1    3 o  134.986   18.798  244.204   61.646  245.208   64.931  235.020  196.313  134.734   19.897  119.237   46.204 15.49696 50.30611 
1 1 1  -28   -1    4 o  147.531   48.405  396.814  205.979   0.0000   0.0000  396.814  205.979  ?   ?   147.531   48.405 0.000000 48.40474 
1 1 1  -28   -1    5 o  178.038   20.093  425.828   87.770  425.828   87.770   0.0000   0.0000  178.038   20.093  ?   ?  0.000000 20.09310 
1 1 1  -28   -1    6 o  192.069   20.255  495.652   95.684  495.652   95.684   0.0000   0.0000  192.069   20.255  ?   ?  0.000000 20.25496 
1 1 1  -28    0    1 o  121.912   18.956  200.419   55.835  180.700   57.752  482.610  218.476  114.738   20.927  161.030   49.517 -46.29143 53.75758 
1 1 1  -28    0    2 o  158.516   18.921  336.098   73.418  356.104   78.657  200.761  204.585  162.743   19.760  113.658   46.143 49.08557 50.19549 
1 1 1  -28    0    3 o  141.625   18.918  268.946   65.234  261.672   68.888  332.107  203.003  138.875   20.479  135.238   47.963 3.636551 52.15242 
1 1 1  -28    0    4 o   91.873   20.954  116.909   47.008  115.219   48.161  150.957  216.203   90.998   21.530  107.820   45.869 -16.82192 50.67089 
1 1 1  -28    0    5 o  120.947   20.291  199.167   59.113  199.167   59.113   0.0000   0.0000  120.947   20.291  ?   ?  0.000000 20.29073 
1 1 1  -28    1    1 o  181.811   19.110  442.501   85.465  453.949   92.084  371.354  229.562  183.286   20.469  138.424   50.750 44.86186 54.72266 
1 1 1  -28    1    2 o   68.377   21.688   63.127   41.572   63.127   41.572   0.0000   0.0000   68.377   21.688  ?   ?  0.000000 21.68789 
1 1 1  -28    1    3 o   83.979   23.319   99.310   50.642   99.310   50.642   0.0000   0.0000   83.979   23.319  ?   ?  0.000000 23.31904 
1 1 1  -27  -23    1 o   58.455   28.624 -133.5111  140.620   0.0000   0.0000 -133.5111  140.620  ?   ?    58.455   28.624 0.000000 28.62437 
1 1 1  -27  -23    2 o   95.244   39.481  206.874  153.854   0.0000   0.0000  206.874  153.854  ?   ?    95.244   39.481 0.000000 39.48108 
1 1 1  -27  -22    1 o  121.465   43.441  336.971  166.857   0.0000   0.0000  336.971  166.857  ?   ?   121.465   43.441 0.000000 43.44086 
1 1 1  -27  -22    2 o  156.873   44.167  536.998  180.358   0.0000   0.0000  536.998  180.358  ?   ?   156.873   44.167 0.000000 44.16653 
1 1 1  -27  -22    3 o   88.659   38.108  150.908  152.016   0.0000   0.0000  150.908  152.016  ?   ?    88.659   38.108 0.000000 38.10757 
1 1 1  -27  -21    1 o   84.563   37.127   92.288  150.812   0.0000   0.0000   92.288  150.812  ?   ?    84.563   37.127 0.000000 37.12690 
1 1 1  -27  -21    2 o  140.647   44.026  424.846  171.844   0.0000   0.0000  424.846  171.844  ?   ?   140.647   44.026 0.000000 44.02610 
1 1 1  -27  -21    3 o   80.155   35.816   72.506  146.540   0.0000   0.0000   72.506  146.540  ?   ?    80.155   35.816 0.000000 35.81573 
1 1 1  -27  -21    4 o   98.750   40.307  208.121  157.158   0.0000   0.0000  208.121  157.158  ?   ?    98.750   40.307 0.000000 40.30656 
1 1 1  -27  -20    1 o  101.771   40.734  192.157  157.001   0.0000   0.0000  192.157  157.001  ?   ?   101.771   40.734 0.000000 40.73427 
1 1 1  -27  -20    2 o   65.484   31.241 -80.0088  142.256   0.0000   0.0000 -80.0088  142.256  ?   ?    65.484   31.241 0.000000 31.24117 
1 1 1  -27  -20    3 o  155.133   44.672  499.146  182.447   0.0000   0.0000  499.146  182.447  ?   ?   155.133   44.672 0.000000 44.67218 
1 1 1  -27  -20    4 f   78.722   35.436   53.378  146.363   0.0000   0.0000   53.378  146.363  ?   ?    78.722   35.436 0.000000 35.43589 
1 1 1  -27  -19    1 o  172.211   42.735  548.299  182.910   0.0000   0.0000  548.299  182.910  ?   ?   172.211   42.735 0.000000 42.73538 
1 1 1  -27  -19    2 o   71.634   33.131 -19.8640  139.669   0.0000   0.0000 -19.8640  139.669  ?   ?    71.634   33.131 0.000000 33.13071 
1 1 1  -27  -19    3 o  137.033   43.725  378.569  168.786   0.0000   0.0000  378.569  168.786  ?   ?   137.033   43.725 0.000000 43.72528 
1 1 1  -27  -19    4 o   74.786   34.429   3.9988  148.318   0.0000   0.0000   3.9988  148.318  ?   ?    74.786   34.429 0.000000 34.42901 
1 1 1  -27  -19    5 o   70.217   32.451  -9.5109  133.636   0.0000   0.0000  -9.5109  133.636  ?   ?    70.217   32.451 0.000000 32.45136 
1 1 1  -27  -18    1 o  159.766   43.407  471.124  177.687   0.0000   0.0000  471.124  177.687  ?   ?   159.766   43.407 0.000000 43.40738 
1 1 1  -27  -18    2 o   70.195   32.857 -50.7981  143.988   0.0000   0.0000 -50.7981  143.988  ?   ?    70.195   32.857 0.000000 32.85732 
1 1 1  -27  -18    3 o  148.736   42.958  418.510  168.489   0.0000   0.0000  418.510  168.489  ?   ?   148.736   42.958 0.000000 42.95820 
1 1 1  -27  -18    4 o   80.395   35.330   55.094  136.855   0.0000   0.0000   55.094  136.855  ?   ?    80.395   35.330 0.000000 35.33040 
1 1 1  -27  -18    5 o   56.486   27.584 -156.8082  127.940   0.0000   0.0000 -156.8082  127.940  ?   ?    56.486   27.584 0.000000 27.58411 
1 1 1  -27  -18    6 o   61.728   29.564 -93.0343  130.043   0.0000   0.0000 -93.0343  130.043  ?   ?    61.728   29.564 0.000000 29.56360 
1 1 1  -27  -17    1 o   48.359   19.210   19.885   34.662 -23.4722  191.469   21.354   35.244   82.578   38.399   49.150   19.419 33.42824 43.03006 
1 1 1  -27  -17    2 o   75.957   34.543  -2.6023  143.383   0.0000   0.0000  -2.6023  143.383  ?   ?    75.957   34.543 0.000000 34.54290 
1 1 1  -27  -17    3 o   90.326   37.918  104.877  144.556   0.0000   0.0000  104.877  144.556  ?   ?    90.326   37.918 0.000000 37.91832 
1 1 1  -27  -17    4 o  226.879   37.440  852.903  204.721   0.0000   0.0000  852.903  204.721  ?   ?   226.879   37.440 0.000000 37.44014 
1 1 1  -27  -17    5 o  193.763   39.080  645.567  182.567   0.0000   0.0000  645.567  182.567  ?   ?   193.763   39.080 0.000000 39.07978 
1 1 1  -27  -17    6 o   83.068   36.201   70.307  141.040   0.0000   0.0000   70.307  141.040  ?   ?    83.068   36.201 0.000000 36.20089 
1 1 1  -27  -16    1 o  110.047   18.934  165.379   50.156  197.160  187.539  162.931   52.052  109.219   44.235  108.744   19.902 0.4754257 48.50578 
1 1 1  -27  -16    2 o   61.587   29.676 -137.4365  135.661   0.0000   0.0000 -137.4365  135.661  ?   ?    61.587   29.676 0.000000 29.67580 
1 1 1  -27  -16    3 o   77.664   34.513   22.419  134.134   0.0000   0.0000   22.419  134.134  ?   ?    77.664   34.513 0.000000 34.51313 
1 1 1  -27  -16    4 o  151.718   41.407  407.687  161.260   0.0000   0.0000  407.687  161.260  ?   ?   151.718   41.407 0.000000 41.40714 
1 1 1  -27  -16    5 o  118.253   41.238  253.823  149.614   0.0000   0.0000  253.823  149.614  ?   ?   118.253   41.238 0.000000 41.23812 
1 1 1  -27  -16    6 o   67.334   31.523 -54.6740  132.626   0.0000   0.0000 -54.6740  132.626  ?   ?    67.334   31.523 0.000000 31.52331 
1 1 1  -27  -16    7 o  215.629   39.039  796.370  202.472   0.0000   0.0000  796.370  202.472  ?   ?   215.629   39.039 0.000000 39.03881 
1 1 1  -27  -15    1 o  230.232   16.039  696.098   91.640  654.572  212.047  705.635  101.619  193.903   44.707  230.522   17.790 -36.61841 48.11652 
1 1 1  -27  -15    2 o  130.700   17.295  228.492   55.062  445.411  191.463  208.934   57.491  155.706   46.031  123.973   19.191 31.73316 49.87151 
1 1 1  -27  -15    3 o  193.889   37.975  607.737  177.285   0.0000   0.0000  607.737  177.285  ?   ?   193.889   37.975 0.000000 37.97459 
1 1 1  -27  -15    4 o  111.972   40.641  213.438  146.682   0.0000   0.0000  213.438  146.682  ?   ?   111.972   40.641 0.000000 40.64094 
1 1 1  -27  -15    5 o   76.180   34.252   7.5754  136.274   0.0000   0.0000   7.5754  136.274  ?   ?    76.180   34.252 0.000000 34.25167 
1 1 1  -27  -15    6 o   80.492   35.296   43.359  135.933   0.0000   0.0000   43.359  135.933  ?   ?    80.492   35.296 0.000000 35.29608 
1 1 1  -27  -15    7 o  102.168   39.563  173.743  143.863   0.0000   0.0000  173.743  143.863  ?   ?   102.168   39.563 0.000000 39.56326 
1 1 1  -27  -15    8 o   85.100   36.551   78.817  139.661   0.0000   0.0000   78.817  139.661  ?   ?    85.100   36.551 0.000000 36.55057 
1 1 1  -27  -14    1 o  105.094   20.098  151.614   50.823  174.398  173.599  149.478   53.151  107.276   42.870  103.835   21.215 3.441338 47.83242 
1 1 1  -27  -14    2 o  163.327   16.107  351.373   64.840  449.411  191.123  338.621   68.928  158.174   45.773  159.521   17.596 -1.346985 49.03824 
1 1 1  -27  -14    3 o  209.107   37.397  692.250  188.108   0.0000   0.0000  692.250  188.108  ?   ?   209.107   37.397 0.000000 37.39657 
1 1 1  -27  -14    4 o  141.332   41.840  346.706  158.093   0.0000   0.0000  346.706  158.093  ?   ?   141.332   41.840 0.000000 41.84012 
1 1 1  -27  -14    5 o  112.227   40.704  212.204  147.097   0.0000   0.0000  212.204  147.097  ?   ?   112.227   40.704 0.000000 40.70382 
1 1 1  -27  -14    6 o  122.745   41.870  267.088  153.912   0.0000   0.0000  267.088  153.912  ?   ?   122.745   41.870 0.000000 41.87019 
1 1 1  -27  -14    7 o  139.891   42.482  353.566  161.461   0.0000   0.0000  353.566  161.461  ?   ?   139.891   42.482 0.000000 42.48245 
1 1 1  -27  -14    8 o   97.615   39.350  145.335  147.653   0.0000   0.0000  145.335  147.653  ?   ?    97.615   39.350 0.000000 39.34984 
1 1 1  -27  -13    1 o  179.717   15.922  423.162   70.718  423.632  186.227  423.083   76.444  155.555   45.231  178.941   17.324 -23.38576 48.43523 
1 1 1  -27  -13    2 o   73.955   21.537   75.589   42.194  174.422  164.823   68.658   43.648  107.354   42.129   70.958   22.185 36.39645 47.61285 
1 1 1  -27  -13    3 o   99.961   20.275  137.634   48.880  170.515  175.529  134.870   50.893  106.879   42.967   98.496   21.310 8.382462 47.96163 
1 1 1  -27  -13    4 o  205.033   37.486  663.371  184.859   0.0000   0.0000  663.371  184.859  ?   ?   205.033   37.486 0.000000 37.48635 
1 1 1  -27  -13    5 o  227.967   36.267  810.942  199.545   0.0000   0.0000  810.942  199.545  ?   ?   227.967   36.267 0.000000 36.26733 
1 1 1  -27  -13    6 o  127.646   42.780  287.718  160.647   0.0000   0.0000  287.718  160.647  ?   ?   127.646   42.780 0.000000 42.78012 
1 1 1  -27  -13    7 o  124.725   41.140  270.971  148.717   0.0000   0.0000  270.971  148.717  ?   ?   124.725   41.140 0.000000 41.13986 
1 1 1  -27  -13    8 o   85.158   36.836   62.959  143.844   0.0000   0.0000   62.959  143.844  ?   ?    85.158   36.836 0.000000 36.83612 
1 1 1  -27  -13    9 o   96.779   39.346  137.767  149.013   0.0000   0.0000  137.767  149.013  ?   ?    96.779   39.346 0.000000 39.34621 
1 1 1  -27  -12    1 o  171.601   12.155  378.077   51.747  423.126   70.888  326.686   75.714  179.852   15.949  155.886   19.904 23.96585 25.50587 
1 1 1  -27  -12    2 o   41.172   15.622   16.352   22.123   7.4496   26.331   37.721   40.796   39.682   16.382   57.822   21.363 -18.14024 26.92054 
1 1 1  -27  -12    3 o  158.216   16.206  329.078   63.127  516.570  182.237  303.513   67.293  176.820   41.911  150.899   18.227 25.92110 45.70339 
1 1 1  -27  -12    4 o  301.823   34.624  1375.71  256.243   0.0000   0.0000  1375.71  256.243  ?   ?   301.823   34.624 0.000000 34.62415 
1 1 1  -27  -12    5 o  222.275   35.966  762.328  192.813   0.0000   0.0000  762.328  192.813  ?   ?   222.275   35.966 0.000000 35.96565 
1 1 1  -27  -12    6 o  120.067   41.767  244.375  153.432   0.0000   0.0000  244.375  153.432  ?   ?   120.067   41.767 0.000000 41.76717 
1 1 1  -27  -12    7 o   98.199   39.256  135.668  145.613   0.0000   0.0000  135.668  145.613  ?   ?    98.199   39.256 0.000000 39.25570 
1 1 1  -27  -12    8 o   98.178   40.006  134.395  154.495   0.0000   0.0000  134.395  154.495  ?   ?    98.178   40.006 0.000000 40.00583 
1 1 1  -27  -12    9 o  114.678   41.896  228.410  156.248   0.0000   0.0000  228.410  156.248  ?   ?   114.678   41.896 0.000000 41.89596 
1 1 1  -27  -12   10 o  105.398   40.908  183.870  154.086   0.0000   0.0000  183.870  154.086  ?   ?   105.398   40.908 0.000000 40.90821 
1 1 1  -27  -11    1 o  154.400   12.062  306.010   46.137  339.548   62.696  266.395   68.140  161.179   15.779  140.706   19.952 20.47282 25.43716 
1 1 1  -27  -11    2 f  128.883   12.243  214.009   38.932  229.395   51.884  194.182   58.895  132.064   16.063  119.499   20.473 12.56435 26.02239 
1 1 1  -27  -11    3 o   93.121   13.769  113.693   31.053   91.404   39.182  151.340   50.922   81.608   19.494  105.294   20.100 -23.68614 28.00023 
1 1 1  -27  -11    4 o  199.026   16.148  518.454   79.566  433.759   88.713  866.819  179.918  179.676   20.117  245.119   30.021 -65.44247 36.13768 
1 1 1  -27  -11    5 o  111.458   41.259  196.569  152.321   0.0000   0.0000  196.569  152.321  ?   ?   111.458   41.259 0.000000 41.25854 
1 1 1  -27  -11    6 o  149.472   41.606  375.601  161.006   0.0000   0.0000  375.601  161.006  ?   ?   149.472   41.606 0.000000 41.60580 
1 1 1  -27  -11    7 o   82.182   35.868   37.126  138.911   0.0000   0.0000   37.126  138.911  ?   ?    82.182   35.868 0.000000 35.86761 
1 1 1  -27  -11    8 o  178.234   40.202  523.277  174.670   0.0000   0.0000  523.277  174.670  ?   ?   178.234   40.202 0.000000 40.20203 
1 1 1  -27  -11    9 o  118.825   42.124  243.654  156.563   0.0000   0.0000  243.654  156.563  ?   ?   118.825   42.124 0.000000 42.12370 
1 1 1  -27  -11   10 o  185.031   41.300  579.817  185.995   0.0000   0.0000  579.817  185.995  ?   ?   185.031   41.300 0.000000 41.30032 
1 1 1  -27  -10    1 o  112.713   13.267  164.799   36.626  223.808   48.706   88.002   55.564  130.884   15.184   79.950   25.036 50.93393 29.28053 
1 1 1  -27  -10    2 o  165.952   12.173  353.267   50.095  363.255   67.948  341.371   74.149  166.450   16.567  160.181   18.901 6.268631 25.13427 
1 1 1  -27  -10    3 o  112.641   12.409  163.957   34.326  129.581   44.056  217.068   54.760   97.874   18.707  127.828   17.623 -29.95382 25.70112 
1 1 1  -27  -10    4 o  123.640   12.798  197.663   38.942  233.258   51.945  151.985   58.843  133.236   15.928  104.278   23.196 28.95776 28.13842 
1 1 1  -27  -10    5 o  178.388   16.457  417.534   72.486  384.122   80.469  561.309  166.921  169.498   19.359  191.295   36.270 -21.79752 41.11290 
1 1 1  -27  -10    6 o   80.955   35.949   13.922  145.268   0.0000   0.0000   13.922  145.268  ?   ?    80.955   35.949 0.000000 35.94897 
1 1 1  -27  -10    7 o  117.948   41.512  229.038  151.783   0.0000   0.0000  229.038  151.783  ?   ?   117.948   41.512 0.000000 41.51183 
1 1 1  -27  -10    8 o  102.025   39.908  151.185  147.526   0.0000   0.0000  151.185  147.526  ?   ?   102.025   39.908 0.000000 39.90841 
1 1 1  -27  -10    9 o   98.761   39.811  133.800  151.131   0.0000   0.0000  133.800  151.131  ?   ?    98.761   39.811 0.000000 39.81102 
1 1 1  -27  -10   11 o  223.664   39.946  822.234  214.923   0.0000   0.0000  822.234  214.923  ?   ?   223.664   39.946 0.000000 39.94577 
1 1 1  -27   -9    1 o  170.555   12.033  372.474   50.922  384.610   68.993  357.952   75.472  171.582   16.298  164.330   18.726 7.251541 24.82501 
1 1 1  -27   -9    2 o  201.560   12.090  519.781   60.572  539.984   83.744  497.615   87.716  203.305   16.641  194.222   18.301 9.083221 24.73580 
1 1 1  -27   -9    3 o  119.219   12.784  183.664   37.465  187.036   49.309  179.059   57.624  118.790   17.116  114.630   20.900 4.160110 27.01480 
1 1 1  -27   -9    4 o   50.057   16.657   31.272   24.361   46.862   29.788  -0.2166   42.334   59.539   18.280   46.344   20.015 13.19499 27.10638 
1 1 1  -27   -9    5 o  170.545   16.370  381.144   68.860  344.279   75.396  566.521  169.073  160.624   19.176  192.542   36.500 -31.91821 41.23041 
1 1 1  -27   -9    6 o   91.435   19.286  114.108   42.650  135.048   44.596 -110.2365  145.972   99.951   18.550   68.030   32.223 31.92090 37.18110 
1 1 1  -27   -9    7 o  110.666   18.694  165.197   49.820  189.488   52.825 -30.3037  149.860  118.818   18.398   76.763   35.066 42.05489 39.59914 
1 1 1  -27   -9    8 f  139.022   42.712  328.866  162.595   0.0000   0.0000  328.866  162.595  ?   ?   139.022   42.712 0.000000 42.71205 
1 1 1  -27   -9   10 o  225.349   39.053  811.545  211.805   0.0000   0.0000  811.545  211.805  ?   ?   225.349   39.053 0.000000 39.05339 
1 1 1  -27   -9   11 o  217.697   38.889  762.407  203.655   0.0000   0.0000  762.407  203.655  ?   ?   217.697   38.889 0.000000 38.88898 
1 1 1  -27   -8    1 o  136.971   12.866  241.637   43.490  235.851   57.699  249.250   66.178  133.511   17.746  136.300   20.042 -2.789413 26.76898 
1 1 1  -27   -8    2 o  103.225   14.372  139.305   36.041  192.455   47.024   63.627   56.111  121.063   15.942   71.268   25.223 49.79566 29.83864 
1 1 1  -27   -8    3 o   99.391   14.214  129.239   34.273  133.528   44.627  123.071   53.513   99.551   18.636   94.028   22.984 5.523575 29.59021 
1 1 1  -27   -8    4 o   70.956   16.412   67.781   28.502   81.469   35.954   44.634   46.755   77.335   18.800   62.338   22.896 14.99775 29.62593 
1 1 1  -27   -8    5 o   84.563   18.796   97.297   38.662   91.087   40.029  183.643  149.262   81.512   19.850  110.369   40.845 -28.85696 45.41277 
1 1 1  -27   -8    6 o   78.470   18.313   83.790   35.230   65.400   36.178  420.954  154.910   69.348   19.870  163.560   38.557 -94.21204 43.37556 
1 1 1  -27   -8    7 o  135.694   17.744  244.625   58.687  266.562   63.412  113.667  154.934  141.428   18.390   97.534   39.939 43.89400 43.96981 
1 1 1  -27   -8    8 o  154.606   17.423  316.301   66.094  323.300   71.903  278.161  167.850  155.575   18.896  128.137   43.725 27.43875 47.63307 
1 1 1  -27   -8    9 o  235.781   18.273  735.981  106.751  743.296  124.750  715.973  206.310  234.403   21.554  211.086   40.613 23.31636 45.97836 
1 1 1  -27   -8   10 o  184.670   41.528  561.853  186.862   0.0000   0.0000  561.853  186.862  ?   ?   184.670   41.528 0.000000 41.52799 
1 1 1  -27   -8   11 o  159.917   42.795  437.430  174.261   0.0000   0.0000  437.430  174.261  ?   ?   159.917   42.795 0.000000 42.79459 
1 1 1  -27   -7    1 o   77.480   16.395   80.425   30.732   69.261   38.328  100.524   51.426   71.454   20.446   85.120   23.446 -13.66642 31.10879 
1 1 1  -27   -7    2 o  149.391   12.446  286.489   46.009  330.993   62.050  232.140   68.570  159.374   15.799  130.698   21.776 28.67583 26.90334 
1 1 1  -27   -7    3 o   96.180   14.871  121.595   34.565  145.934   44.707   85.428   54.498  104.551   17.759   79.070   24.800 25.48125 30.50290 
1 1 1  -27   -7    4 o  181.357   12.113  421.017   54.543  462.323   74.663  373.745   79.872  188.394   16.022  167.607   19.445 20.78763 25.19551 
1 1 1  -27   -7    5 o  236.481   16.979  730.774   99.602  651.894  115.405  961.076  197.192  220.570   21.214  258.701   31.150 -38.13156 37.68757 
1 1 1  -27   -7    6 o  105.209   17.983  148.281   45.548  137.327   47.515  272.430  159.964  100.545   19.629  128.862   42.675 -28.31659 46.97282 
1 1 1  -27   -7    7 o   93.561   39.079   88.692  152.378   0.0000   0.0000   88.692  152.378  ?   ?    93.561   39.079 0.000000 39.07916 
1 1 1  -27   -7    8 o  219.779   20.765  648.067  112.612  648.067  112.612   0.0000   0.0000  219.779   20.765  ?   ?  0.000000 20.76472 
1 1 1  -27   -7    9 o  119.089   17.413  188.924   50.253  176.873   52.956  298.017  159.332  114.401   19.218  133.279   42.478 -18.87846 46.62358 
1 1 1  -27   -7   10 o  215.118   17.548  610.415   93.445  599.328  107.134  645.674  191.051  211.061   20.589  201.667   39.350 9.394562 44.41082 
1 1 1  -27   -7   11 o   71.924   33.626 -73.8388  150.028   0.0000   0.0000 -73.8388  150.028  ?   ?    71.924   33.626 0.000000 33.62619 
1 1 1  -27   -7   12 o  126.670   43.799  280.036  168.603   0.0000   0.0000  280.036  168.603  ?   ?   126.670   43.799 0.000000 43.79932 
1 1 1  -27   -6    1 o  126.216   13.623  206.109   42.256  242.072   55.427  156.198   65.297  135.780   16.699  105.483   25.145 30.29707 30.18444 
1 1 1  -27   -6    2 f   93.460   15.049  114.995   33.929  128.702   43.257   93.080   54.696   97.883   18.372   82.132   24.678 15.75047 30.76566 
1 1 1  -27   -6    3 o   61.331   17.375   50.291   27.822   43.226   34.253   63.989   47.696   58.669   19.753   70.024   23.308 -11.35566 30.55265 
1 1 1  -27   -6    4 o  187.942   12.712  452.944   59.310  502.800   81.692  397.373   86.247  196.169   16.839  172.432   20.427 23.73752 26.47311 
1 1 1  -27   -6    5 o  237.812   16.743  737.530   98.798  629.273  113.680  1071.70  199.731  216.769   21.275  275.380   29.504 -58.61183 36.37437 
1 1 1  -27   -6    6 o  209.941   17.703  578.851   91.943  573.262  105.904  595.958  185.273  207.043   20.763  195.831   39.253 11.21143 44.40623 
1 1 1  -27   -6    7 o   80.673   20.283   89.400   40.818   89.400   40.818   0.0000   0.0000   80.673   20.283  ?   ?  0.000000 20.28282 
1 1 1  -27   -6    8 o  211.191   17.491  586.155   91.414  571.495  103.791  636.861  193.026  206.712   20.372  201.230   39.822 5.482101 44.73053 
1 1 1  -27   -6    9 o   72.420   19.348   71.716   35.655   69.606   36.673  108.163  152.415   71.363   19.854   96.392   39.559 -25.02934 44.26152 
1 1 1  -27   -6   10 o  209.287   17.544  577.179   90.844  566.444  102.817  615.388  193.977  205.530   20.298  195.418   41.055 10.11153 45.79859 
1 1 1  -27   -6   11 o  106.880   18.223  153.893   46.891  151.175   48.962  184.007  162.965  105.465   19.302  109.493   42.190 -4.028114 46.39553 
1 1 1  -27   -6   12 o  107.901   18.262  157.083   47.452  153.973   49.587  190.889  163.479  106.325   19.390  110.219   42.311 -3.893745 46.54219 
1 1 1  -27   -5    1 o   78.191   16.238   81.752   30.670   67.958   37.881  108.001   52.256   70.851   20.342   88.196   23.357 -17.34455 30.97293 
1 1 1  -27   -5    2 o  151.476   13.112  295.226   49.108  334.310   65.789  246.049   73.797  159.839   16.730  134.202   22.839 25.63736 28.31094 
1 1 1  -27   -5    3 f   72.659   16.968   71.097   30.228   88.516   37.900   40.641   50.113   80.681   19.106   62.066   23.520 18.61462 30.30268 
1 1 1  -27   -5    4 o   95.610   18.989  123.503   43.740  115.177   45.488  225.605  159.296   91.815   20.372  120.050   42.497 -28.23434 47.12785 
1 1 1  -27   -5    5 o  177.896   17.232  414.956   75.591  406.146   84.290  451.155  170.857  174.752   19.656  168.534   40.991 6.218323 45.46025 
1 1 1  -27   -5    6 f  164.007   16.399  351.791   66.263  291.750   71.543  714.141  175.755  147.634   19.914  221.454   32.771 -73.82004 38.34695 
1 1 1  -27   -5    7 o  144.324   17.311  274.735   61.143  266.602   65.617  328.345  168.470  141.356   19.076  140.618   43.522 0.7381134 47.51941 
1 1 1  -27   -5    8 o  180.566   16.585  426.851   73.946  380.289   81.373  647.551  177.161  168.781   19.676  207.719   35.425 -38.93738 40.52230 
1 1 1  -27   -5    9 o  132.232   17.286  231.528   55.714  216.271   58.968  358.415  170.060  126.909   19.208  146.214   43.420 -19.30472 47.47849 
1 1 1  -27   -5   10 o  284.269   18.467  1066.44  130.378  995.828  156.572  1226.13  235.462  270.298   23.428  288.433   33.303 -18.13416 40.71801 
1 1 1  -27   -5   11 o  125.441   18.314  210.595   55.679  235.092   59.287   27.486  162.090  132.612   18.399   86.098   38.116 46.51390 42.32376 
1 1 1  -27   -5   12 o   75.975   19.250   79.305   36.567   76.655   37.535  128.657  161.999   74.624   19.811   99.963   40.876 -25.33908 45.42382 
1 1 1  -27   -4    1 o   46.064   17.216   21.613   26.647   15.314   31.692   36.811   49.225   45.850   18.319   60.534   23.222 -14.68416 29.57801 
1 1 1  -27   -4    2 o  136.304   13.697  240.089   45.992  298.439   61.385  165.420   69.441  151.011   16.549  108.265   26.010 42.74636 30.82829 
1 1 1  -27   -4    3 o   71.795   17.413   69.567   30.898   76.019   38.370   57.668   52.110   74.685   20.121   68.481   24.299 6.203896 31.54868 
1 1 1  -27   -4    4 o  173.142   17.721  394.003   75.540  415.420   83.978  303.207  172.908  177.021   19.310  135.738   44.340 41.28381 48.36249 
1 1 1  -27   -4    5 o   85.105   37.316   24.621  151.907   0.0000   0.0000   24.621  151.907  ?   ?    85.105   37.316 0.000000 37.31583 
1 1 1  -27   -4    6 o  131.496   19.054  230.870   60.744  230.870   60.744   0.0000   0.0000  131.496   19.054  ?   ?  0.000000 19.05384 
1 1 1  -27   -4    7 o  101.305   18.820  138.348   45.858  131.831   47.895  210.111  158.940   98.343   20.179  116.379   42.295 -18.03664 46.86244 
1 1 1  -27   -4    8 o  220.598   17.277  637.565   94.414  597.450  108.075  766.837  194.010  211.346   20.745  226.516   35.462 -15.16965 41.08395 
1 1 1  -27   -4    9 o  188.895   17.656  469.777   82.320  486.093   92.796  409.506  178.352  190.967   19.744  156.457   43.875 34.51036 48.11266 
1 1 1  -27   -4   10 o  264.509   18.995  925.835  124.633  967.452  150.607  835.410  222.001  267.168   22.792  230.733   39.978 36.43524 46.01868 
1 1 1  -27   -4   11 o  109.200   18.926  160.991   49.741  178.421   52.271  -6.0596  161.823  115.123   18.834   82.277   37.127 32.84638 41.63114 
1 1 1  -27   -4   12 o  142.708   16.656  268.750   58.241  237.612   61.739  520.371  175.506  132.949   19.149  179.977   40.079 -47.02750 44.41844 
1 1 1  -27   -3    1 o  113.978   14.314  169.128   39.843  183.986   51.190  146.295   63.458  117.636   17.998  102.049   25.080 15.58701 30.86961 
1 1 1  -27   -3    2 o  247.683   12.834  785.207   79.109  819.878  108.349  745.622  115.773  250.559   17.425  237.449   19.703 13.11003 26.30270 
1 1 1  -27   -3    3 o  175.891   16.930  404.702   73.442  367.315   80.488  590.635  179.494  166.129   19.791  197.207   37.824 -31.07813 42.68926 
1 1 1  -27   -3    4 o   75.193   34.574 -53.4158  148.954   0.0000   0.0000 -53.4158  148.954  ?   ?    75.193   34.574 0.000000 34.57405 
1 1 1  -27   -3    5 o   94.620   19.248  121.261   43.932  110.499   45.618  258.829  163.098   89.775   20.762  126.810   43.102 -37.03454 47.84214 
1 1 1  -27   -3    6 o  109.864   18.584  161.715   49.166  159.068   51.657  187.195  160.240  108.470   19.800  112.262   42.166 -3.791801 46.58386 
1 1 1  -27   -3    7 o  128.369   17.859  218.615   55.699  214.493   59.164  250.740  165.180  126.512   19.342  124.631   43.338 1.881157 47.45797 
1 1 1  -27   -3    8 o   72.830   20.089   72.378   37.723   73.923   38.955   49.093  151.215   73.558   20.462   87.938   37.904 -14.38036 43.07392 
1 1 1  -27   -3    9 o  161.283   17.613  343.136   69.783  353.656   76.570  291.565  169.533  162.975   19.182  132.261   43.939 30.71350 47.94360 
1 1 1  -27   -3   10 o  197.641   17.185  512.823   83.973  483.482   93.778  631.533  188.630  190.216   20.044  201.353   38.923 -11.13698 43.78088 
1 1 1  -27   -3   11 o  150.009   17.968  298.511   65.968  319.973   71.579  177.483  169.978  154.904   18.896  109.604   42.847 45.29964 46.82899 
1 1 1  -27   -3   12 o  179.359   18.194  426.399   80.361  462.438   88.928  265.926  187.652  186.118   19.420  124.929   45.872 61.18854 49.81346 
1 1 1  -27   -3   13 o  133.379   18.906  238.868   61.209  238.868   61.209   0.0000   0.0000  133.379   18.906  ?   ?  0.000000 18.90632 
1 1 1  -27   -2    1 o   88.608   20.532  107.518   44.542  113.789   46.330   30.989  161.859   91.107   20.819   87.913   38.534 3.193512 43.79804 
1 1 1  -27   -2    2 f  313.662   19.259  1295.62  150.118  1212.26  184.185  1460.56  259.091  298.198   24.964  317.727   33.143 -19.52881 41.49262 
1 1 1  -27   -2    3 o  136.833   18.582  248.704   61.853  270.808   66.562  108.850  167.428  142.607   19.177   99.766   41.257 42.84160 45.49596 
1 1 1  -27   -2    4 o   84.742   37.608   10.631  158.759   0.0000   0.0000   10.631  158.759  ?   ?    84.742   37.608 0.000000 37.60836 
1 1 1  -27   -2    5 f  138.359   18.656  254.417   62.814  274.166   66.712  100.099  186.485  143.510   19.089  100.840   42.738 42.66915 46.80737 
1 1 1  -27   -2    6 o  150.993   17.224  299.883   63.784  276.414   68.456  454.416  175.662  143.854   19.564  168.183   41.963 -24.32866 46.29902 
1 1 1  -27   -2    7 o  151.099   16.931  299.938   62.787  265.748   67.371  525.856  173.181  140.912   19.683  184.239   38.864 -43.32736 43.56439 
1 1 1  -27   -2    8 f   49.406   18.677   24.513   31.551   15.125   32.199  250.607  158.018   45.969   18.430  124.642   42.425 -78.67323 46.25566 
1 1 1  -27   -2    9 o   97.399   19.269  128.671   45.206  130.840   47.220  104.860  156.464   97.975   19.978   96.993   39.975 0.9815292 44.68909 
1 1 1  -27   -2   10 o  108.055   18.852  157.286   49.019  159.785   51.293  130.971  166.470  108.613   19.634  102.075   41.553 6.538658 45.95820 
1 1 1  -27   -2   11 o   97.361   19.004  128.568   44.546  121.890   46.347  209.499  161.352   94.281   20.287  115.316   42.507 -21.03483 47.10002 
1 1 1  -27   -2   12 o  161.522   17.812  345.450   70.651  358.162   76.923  276.892  178.638  163.780   19.171  127.591   45.021 36.18918 48.93253 
1 1 1  -27   -2   13 o  109.018   19.552  161.452   51.273  161.452   51.273   0.0000   0.0000  109.018   19.552  ?   ?  0.000000 19.55204 
1 1 1  -27   -1    1 o   63.817   20.560   53.244   37.249   53.717   38.251   44.560  163.845   64.185   20.850   89.847   39.089 -25.66163 44.30142 
1 1 1  -27   -1    2 o   96.059   20.309  125.894   47.194  135.881   49.257   14.104  164.793   99.834   20.446   86.244   38.294 13.58969 43.41010 
1 1 1  -27   -1    3 o   81.020   36.952 -33.6588  165.604   0.0000   0.0000 -33.6588  165.604  ?   ?    81.020   36.952 0.000000 36.95247 
1 1 1  -27   -1    4 o  169.214   19.700  381.179   81.688  381.179   81.688   0.0000   0.0000  169.214   19.700  ?   ?  0.000000 19.70049 
1 1 1  -27   -1    5 f  101.746   19.784  140.367   48.456  147.699   50.599   59.272  168.273  104.290   20.158   92.594   39.947 11.69633 44.74515 
1 1 1  -27   -1    6 o  222.791   17.134  648.922   94.593  565.402  106.433  962.907  206.364  205.559   21.030  257.527   32.837 -51.96790 38.99382 
1 1 1  -27   -1    7 o   91.433   20.179  114.293   44.839  121.173   46.720   33.975  159.634   94.103   20.465   87.574   38.329 6.529160 43.45030 
1 1 1  -27   -1    8 o   87.897   19.570  105.398   41.851   87.612   43.230  370.954  167.041   79.753   21.303  150.420   42.559 -70.66660 47.59299 
1 1 1  -27   -1    9 o   62.323   19.946   50.888   35.103   43.816   35.954  194.990  162.300   59.224   20.237  113.166   42.450 -53.94200 47.02698 
1 1 1  -27   -1   10 o  119.898   18.602  192.480   53.892  190.974   56.540  207.434  178.196  118.941   19.727  115.642   44.226 3.298843 48.42593 
1 1 1  -27   -1   11 f   63.667   19.941   53.803   35.248   43.228   36.106  268.449  162.670   58.937   20.275  127.344   43.047 -68.40691 47.58267 
1 1 1  -27   -1   12 o  123.107   18.004  202.280   53.712  192.098   56.481  298.528  173.651  119.196   19.661  132.395   44.477 -13.19869 48.62922 
1 1 1  -27    0    1 o   63.390   20.625   52.348   37.425   41.553   38.315  276.507  174.600   58.869   20.842  129.225   44.578 -70.35690 49.20933 
1 1 1  -27    0    2 o  136.156   18.426  246.461   61.040  233.697   64.428  358.341  190.742  131.729   20.233  144.584   46.519 -12.85530 50.72851 
1 1 1  -27    0    3 o   95.137   20.919  124.180   48.346  141.086   50.500 -61.3898  167.313  101.668   20.597   78.412   36.264 23.25609 41.70515 
1 1 1  -27    0    4 o  290.586   20.314  1121.04  146.483  1193.81  178.121  969.000  257.468  296.194   24.296  246.102   43.485 50.09209 49.81178 
1 1 1  -27    0    5 o  130.250   18.444  225.822   58.313  223.693   61.758  243.327  177.088  129.036   19.798  122.903   44.648 6.133270 48.84051 
1 1 1  -27    0    6 o  194.723   17.319  497.224   83.336  444.489   91.706  747.186  199.657  182.303   20.500  221.975   37.345 -39.67197 42.60141 
1 1 1  -27    0    7 o  276.148   19.746  1010.21  135.266  1068.38  163.395  883.511  241.136  280.706   23.527  235.595   42.553 45.11150 48.62361 
1 1 1  -27    0    8 o  103.363   19.703  144.923   49.000  152.509   51.153   60.455  170.686  105.952   20.068   92.745   40.122 13.20657 44.86093 
1 1 1  -27    0    9 o  121.115   18.674  196.330   54.663  199.245   57.653  170.395  171.955  121.608   19.656  109.183   42.972 12.42485 47.25366 
1 1 1  -27    0   10 o  157.811   17.742  329.112   68.707  323.988   74.104  360.495  183.399  155.701   19.486  145.015   45.497 10.68605 49.49385 
1 1 1  -27    0   11 o  134.183   17.810  239.156   58.204  218.502   61.496  416.701  180.302  127.187   20.024  157.236   44.121 -30.04998 48.45281 
1 1 1  -27    0   12 o  138.848   16.972  254.707   57.622  208.933   60.698  672.258  183.324  124.126   20.283  210.119   36.248 -85.99302 41.53675 
1 1 1  -27    1    1 o   55.140   20.314   33.703   36.843   33.933   37.684   28.741  175.415   55.513   20.527   89.377   39.605 -33.86382 44.60842 
1 1 1  -27    1    2 o  148.989   47.153  386.573  196.594   0.0000   0.0000  386.573  196.594  ?   ?   148.989   47.153 0.000000 47.15284 
1 1 1  -27    1    3 o   94.955   21.262  124.180   49.162  124.180   49.162   0.0000   0.0000   94.955   21.262  ?   ?  0.000000 21.26188 
1 1 1  -27    1    4 o  157.650   18.298  329.166   70.695  330.147   76.191  323.094  189.565  157.111   19.864  137.331   46.469 19.77928 50.53667 
1 1 1  -27    1    5 o  262.099   18.492  904.388  120.257  840.823  139.920  1084.07  235.249  249.462   22.709  269.352   35.866 -19.88969 42.45140 
1 1 1  -27    1    6 o  163.714   18.479  355.099   74.223  374.453   80.730  249.352  188.707  167.543   19.670  123.544   45.885 43.99895 49.92325 
1 1 1  -27    1    7 o  266.203   19.369  937.740  127.873  961.823  151.738  878.728  237.525  266.574   23.020  235.310   41.961 31.26401 47.86070 
1 1 1  -27    1    8 o  172.837   18.937  396.671   80.396  441.064   88.117  176.126  196.405  181.900   19.714  111.675   45.255 70.22460 49.36264 
1 1 1  -27    1    9 o  216.678   18.165  618.790   97.379  609.959  110.092  650.538  208.748  213.308   20.938  200.197   43.036 13.11113 47.85901 
1 1 1  -27    1   10 o  134.145   17.983  239.186   58.723  227.395   62.001  341.919  183.008  129.969   19.723  141.027   45.586 -11.05804 49.66990 
1 1 1  -27    1   11 o  101.578   19.749  140.476   48.292  149.449   50.302   34.917  172.530  104.766   19.956   89.273   39.432 15.49383 44.19418 
1 1 1  -27    1   12 o  205.203   18.410  557.394   93.334  579.808  104.990  472.936  203.804  207.944   20.485  163.870   47.222 44.07408 51.47382 
1 1 1  -27    2    1 o  299.013   19.193  1183.67  142.557  1042.97  167.402  1554.96  271.944  275.684   24.574  324.186   34.103 -48.50256 42.03460 
1 1 1  -27    2    2 o  237.232   18.676  743.822  109.747  700.982  123.797  901.079  237.186  227.837   22.034  238.265   41.364 -10.42778 46.86663 
1 1 1  -27    2    3 o  130.734   19.200  229.167   60.816  226.299   64.190  254.315  190.084  129.265   20.575  123.836   46.040 5.428810 50.42873 
1 1 1  -27    2    4 o  149.458   18.454  296.830   67.410  291.018   71.903  339.032  193.754  147.168   20.090  139.524   46.981 7.644409 51.09607 
1 1 1  -27    2    5 o  254.197   19.385  856.253  122.121  874.689  142.142  804.290  238.643  254.332   22.617  221.244   44.732 33.08858 50.12446 
1 1 1  -27    2    6 o  114.855   19.250  177.717   53.257  165.411   55.657  311.263  183.350  109.981   21.032  135.028   45.701 -25.04695 50.30823 
1 1 1  -27    2    7 o  186.972   18.080  461.480   83.363  451.558   91.131  512.354  206.354  183.729   20.196  172.611   46.728 11.11752 50.90605 
1 1 1  -27    2    8 o  181.624   17.918  435.340   80.209  417.584   87.438  529.596  201.462  176.594   20.191  177.167   45.346 -0.5726013 49.63788 
1 1 1  -27    2    9 o   99.746   19.422  135.150   46.638  109.508   48.191  513.703  185.163   88.819   21.872  177.492   42.364 -88.67298 47.67701 
1 1 1  -27    2   10 o  122.457   18.812  201.156   55.686  200.014   58.387  212.649  185.232  121.616   19.915  116.299   44.933 5.317184 49.14810 
1 1 1  -27    2   11 o  101.836   19.728  141.239   48.357  139.447   50.210  164.177  179.644  100.813   20.639  107.920   43.439 -7.106857 48.09293 
1 1 1  -27    3    1 o  150.333   50.741  425.153  226.015   0.0000   0.0000  425.153  226.015  ?   ?   150.333   50.741 0.000000 50.74104 
1 1 1  -27    3    2 o  223.028   21.751  672.165  119.596  672.165  119.596   0.0000   0.0000  223.028   21.751  ?   ?  0.000000 21.75060 
1 1 1  -27    3    3 o  206.911   18.828  567.914   96.219  568.274  106.657  566.338  223.008  205.476   21.085  178.571   48.676 26.90486 53.04658 
1 1 1  -27    3    4 o  172.758   18.069  395.020   76.797  362.762   82.372  609.441  212.369  164.150   20.545  190.115   45.365 -25.96439 49.80008 
1 1 1  -27    3    5 o  263.592   18.017  914.489  117.884  760.039  133.650  1455.72  250.188  236.494   22.918  316.354   32.115 -79.86006 39.45380 
1 1 1  -27    3    6 o  207.074   18.061  565.805   92.459  510.755  101.003  850.547  229.709  194.791   21.101  231.260   41.291 -36.46919 46.37084 
1 1 1  -27    3    7 o  158.341   18.117  332.398   70.345  317.191   75.206  438.745  198.879  153.638   20.083  158.315   46.942 -4.677170 51.05718 
1 1 1  -27    3    8 o  299.965   19.865  1196.11  147.963  1152.97  176.738  1297.19  270.539  289.820   24.654  290.348   38.244 -0.5281372 45.50181 
1 1 1  -27    3    9 o  174.358   17.913  401.987   76.884  381.362   83.038  525.864  203.507  168.581   20.123  175.152   45.954 -6.570938 50.16634 
1 1 1  -27    3   10 f  122.251   18.750  200.592   55.413  192.569   58.075  282.129  185.138  119.067   20.258  128.331   45.773 -9.263626 50.05561 
1 1 1  -27    4    1 o  111.823   20.370  171.057   54.785  149.533   56.223  575.861  243.821  103.504   22.402  173.215   52.116 -69.71094 56.72718 
1 1 1  -27    4    2 o   89.097   22.175  110.987   49.143  104.855   50.525  218.465  211.525   86.395   23.008  116.615   47.067 -30.21962 52.38948 
1 1 1  -27    4    3 o  200.920   18.786  536.666   93.163  522.008  102.266  608.183  225.888  196.562   21.168  184.867   48.372 11.69487 52.80123 
1 1 1  -27    4    4 o  103.671   21.185  148.164   52.992  153.094   55.076   86.684  194.505  105.210   21.684   98.207   42.657 7.003181 47.85209 
1 1 1  -27    4    5 o  313.029   19.682  1303.17  153.066  1164.17  181.379  1647.12  285.306  290.134   25.287  331.448   35.000 -41.31473 43.17892 
1 1 1  -27    4    6 o  228.253   18.107  687.949  102.361  608.936  113.453  1033.79  237.357  212.172   21.719  258.877   37.833 -46.70435 43.62400 
1 1 1  -27    4    7 f  218.301   18.665  631.661  100.772  614.541  111.955  704.742  231.309  213.481   21.284  202.888   46.632 10.59306 51.25985 
1 1 1  -27    4    8 o  271.077   19.499  976.974  131.113  951.476  152.453  1049.41  256.953  264.067   23.360  255.963   41.631 8.103607 47.73683 
1 1 1  -27    4    9 o   69.040   21.202   64.534   40.071   67.934   41.042  -4.7848  185.307   70.639   21.411   86.671   39.359 -16.03245 44.80592 
1 1 1  -27    5    1 o   37.282   16.891 -15.9859   33.881 -13.8187   34.334 -96.6204  209.428   38.102   17.156   81.778   38.695 -43.67673 42.32731 
1 1 1  -27    5    2 o  107.669   20.831  159.770   53.984  147.754   55.766  338.777  215.249  102.765   22.366  134.240   49.154 -31.47485 54.00329 
1 1 1  -27    5    3 o  127.779   20.039  221.803   61.838  223.021   64.586  208.395  214.283  127.654   20.990  114.585   46.951 13.06963 51.42980 
1 1 1  -27    5    4 o   71.209   22.237   69.112   43.868   75.311   44.949 -55.1920  201.274   73.933   22.406   84.202   39.226 -10.26906 45.17453 
1 1 1  -27    5    5 o  254.095   19.115  858.967  120.402  792.081  135.811  1104.56  260.243  240.826   22.857  262.195   41.098 -21.36852 47.02602 
1 1 1  -27    5    6 o  221.791   21.654  666.441  118.404  666.441  118.404   0.0000   0.0000  221.791   21.654  ?   ?  0.000000 21.65443 
1 1 1  -27    5    7 o  192.772   20.744  501.227   98.287  501.227   98.287   0.0000   0.0000  192.772   20.744  ?   ?  0.000000 20.74402 
1 1 1  -26  -25    1 o   67.503   31.186   19.370  123.243   0.0000   0.0000   19.370  123.243  ?   ?    67.503   31.186 0.000000 31.18567 
1 1 1  -26  -25    2 o  123.245   41.253  366.416  149.382   0.0000   0.0000  366.416  149.382  ?   ?   123.245   41.253 0.000000 41.25328 
1 1 1  -26  -24    1 o  124.518   41.710  346.471  152.708   0.0000   0.0000  346.471  152.708  ?   ?   124.518   41.710 0.000000 41.70976 
1 1 1  -26  -24    2 o   68.726   31.519   21.577  122.694   0.0000   0.0000   21.577  122.694  ?   ?    68.726   31.519 0.000000 31.51852 
1 1 1  -26  -24    3 o  171.236   40.078  603.313  168.344   0.0000   0.0000  603.313  168.344  ?   ?   171.236   40.078 0.000000 40.07790 
1 1 1  -26  -23    1 o  135.126   41.070  372.179  150.855   0.0000   0.0000  372.179  150.855  ?   ?   135.126   41.070 0.000000 41.06984 
1 1 1  -26  -23    2 o  142.542   40.508  410.387  150.984   0.0000   0.0000  410.387  150.984  ?   ?   142.542   40.508 0.000000 40.50809 
1 1 1  -26  -23    3 o  157.325   41.375  508.457  164.720   0.0000   0.0000  508.457  164.720  ?   ?   157.325   41.375 0.000000 41.37508 
1 1 1  -26  -23    4 o  176.081   40.901  630.468  176.407   0.0000   0.0000  630.468  176.407  ?   ?   176.081   40.901 0.000000 40.90121 
1 1 1  -26  -22    1 o  127.690   40.813  320.805  147.007   0.0000   0.0000  320.805  147.007  ?   ?   127.690   40.813 0.000000 40.81345 
1 1 1  -26  -22    2 f   90.842   37.164  140.030  133.988   0.0000   0.0000  140.030  133.988  ?   ?    90.842   37.164 0.000000 37.16369 
1 1 1  -26  -22    3 o  133.642   41.833  369.187  155.147   0.0000   0.0000  369.187  155.147  ?   ?   133.642   41.833 0.000000 41.83261 
1 1 1  -26  -22    4 o   93.108   37.955  164.299  139.126   0.0000   0.0000  164.299  139.126  ?   ?    93.108   37.955 0.000000 37.95462 
1 1 1  -26  -22    5 o  158.834   41.911  521.423  168.651   0.0000   0.0000  521.423  168.651  ?   ?   158.834   41.911 0.000000 41.91121 
1 1 1  -26  -21    1 o  196.251   15.957  514.849   77.522  596.600  231.431  504.517   82.275  162.034   51.147  193.219   17.233 -31.18565 53.97246 
1 1 1  -26  -21    2 o  130.820   40.792  327.714  147.682   0.0000   0.0000  327.714  147.682  ?   ?   130.820   40.792 0.000000 40.79170 
1 1 1  -26  -21    3 o  123.465   40.960  300.494  147.339   0.0000   0.0000  300.494  147.339  ?   ?   123.465   40.960 0.000000 40.95973 
1 1 1  -26  -21    4 o   71.226   32.288   15.449  124.015   0.0000   0.0000   15.449  124.015  ?   ?    71.226   32.288 0.000000 32.28797 
1 1 1  -26  -21    5 o   85.624   35.598  115.330  125.606   0.0000   0.0000  115.330  125.606  ?   ?    85.624   35.598 0.000000 35.59807 
1 1 1  -26  -21    6 o   91.846   37.198  155.676  132.619   0.0000   0.0000  155.676  132.619  ?   ?    91.846   37.198 0.000000 37.19839 
1 1 1  -26  -20    1 o  141.039   16.770  267.574   57.906  216.034  205.840  272.003   60.343  107.879   45.265  141.836   17.402 -33.95659 48.49500 
1 1 1  -26  -20    2 o   99.887   18.851  138.639   45.296  277.648  207.009  131.649   46.421  115.419   46.570   96.756   19.878 18.66267 50.63433 
1 1 1  -26  -20    3 o  205.611   36.721  709.987  181.625   0.0000   0.0000  709.987  181.625  ?   ?   205.611   36.721 0.000000 36.72103 
1 1 1  -26  -20    4 o   90.742   37.285  127.383  135.605   0.0000   0.0000  127.383  135.605  ?   ?    90.742   37.285 0.000000 37.28542 
1 1 1  -26  -20    5 o  167.520   37.507  493.304  152.996   0.0000   0.0000  493.304  152.996  ?   ?   167.520   37.507 0.000000 37.50695 
1 1 1  -26  -20    6 o   91.372   36.769  141.575  128.676   0.0000   0.0000  141.575  128.676  ?   ?    91.372   36.769 0.000000 36.76905 
1 1 1  -26  -20    7 o   89.454   36.589  136.412  129.848   0.0000   0.0000  136.412  129.848  ?   ?    89.454   36.589 0.000000 36.58913 
1 1 1  -26  -19    1 o  132.673   17.240  236.902   55.769  378.511  202.641  225.297   58.010  136.144   47.960  128.597   18.605 7.547073 51.44187 
1 1 1  -26  -19    2 o   34.039   15.536 -16.0507   29.335   7.6934  169.579 -16.7831   29.784   81.280   37.194   34.161   15.616 47.11898 40.33944 
1 1 1  -26  -19    3 o  123.741   35.397  256.402  114.899  188.356  188.942  296.333  144.736  104.398   43.553  127.714   40.463 -23.31578 59.44843 
1 1 1  -26  -19    4 o   70.055   32.271 -22.0083  130.593   0.0000   0.0000 -22.0083  130.593  ?   ?    70.055   32.271 0.000000 32.27134 
1 1 1  -26  -19    5 o  135.298   38.915  329.385  138.522   0.0000   0.0000  329.385  138.522  ?   ?   135.298   38.915 0.000000 38.91469 
1 1 1  -26  -19    6 o  220.884   35.048  807.273  186.867   0.0000   0.0000  807.273  186.867  ?   ?   220.884   35.048 0.000000 35.04837 
1 1 1  -26  -19    7 o   77.009   33.703   53.665  123.411   0.0000   0.0000   53.665  123.411  ?   ?    77.009   33.703 0.000000 33.70333 
1 1 1  -26  -19    8 o  125.553   40.593  313.167  145.105   0.0000   0.0000  313.167  145.105  ?   ?   125.553   40.593 0.000000 40.59271 
1 1 1  -26  -18    1 o   49.768   19.142   24.628   33.503 -180.3738  177.756   32.179   34.115   68.472   33.228   53.089   19.549 15.38312 38.55180 
1 1 1  -26  -18    2 o   82.906   20.107   96.276   41.200  294.187  177.058   84.946   42.363  125.125   44.749   77.600   21.241 47.52570 49.53460 
1 1 1  -26  -18    3 o   60.028   20.055   47.522   35.304 -41.3930  174.592   51.313   36.049   77.949   36.387   61.885   20.247 16.06368 41.64063 
1 1 1  -26  -18    4 o  162.007   39.053  448.362  156.141   0.0000   0.0000  448.362  156.141  ?   ?   162.007   39.053 0.000000 39.05252 
1 1 1  -26  -18    5 o   92.035   36.437  126.365  124.314   0.0000   0.0000  126.365  124.314  ?   ?    92.035   36.437 0.000000 36.43697 
1 1 1  -26  -18    6 o  163.462   38.566  461.759  154.878   0.0000   0.0000  461.759  154.878  ?   ?   163.462   38.566 0.000000 38.56554 
1 1 1  -26  -18    7 o  200.996   36.256  673.945  175.283   0.0000   0.0000  673.945  175.283  ?   ?   200.996   36.256 0.000000 36.25617 
1 1 1  -26  -18    8 o   86.450   35.836  106.232  126.753   0.0000   0.0000  106.232  126.753  ?   ?    86.450   35.836 0.000000 35.83571 
1 1 1  -26  -17    1 o   83.228   20.425   96.556   42.134  107.788  176.291   95.875   43.392   96.636   41.273   82.773   20.969 13.86293 46.29394 
1 1 1  -26  -17    2 o   72.493   20.840   73.086   39.735 -22.6347  161.415   79.261   40.997   78.469   36.048   75.312   21.006 3.157135 41.72137 
1 1 1  -26  -17    3 f  141.127   16.545  265.038   57.201  350.159  181.766  255.681   60.263  136.637   45.502  137.863   17.929 -1.226135 48.90664 
1 1 1  -26  -17    4 o   99.794   18.782  136.755   45.088  126.005  179.316  137.480   46.584   97.808   41.696   99.784   19.394 -1.976189 45.98524 
1 1 1  -26  -17    5 o  116.286   39.073  233.411  134.014   0.0000   0.0000  233.411  134.014  ?   ?   116.286   39.073 0.000000 39.07289 
1 1 1  -26  -17    6 o   98.808   37.937  156.140  131.440   0.0000   0.0000  156.140  131.440  ?   ?    98.808   37.937 0.000000 37.93667 
1 1 1  -26  -17    7 o   85.991   35.600   93.761  124.860   0.0000   0.0000   93.761  124.860  ?   ?    85.991   35.600 0.000000 35.59982 
1 1 1  -26  -17    8 o  164.202   39.348  472.299  159.236   0.0000   0.0000  472.299  159.236  ?   ?   164.202   39.348 0.000000 39.34848 
1 1 1  -26  -17    9 o  149.714   39.909  406.701  151.921   0.0000   0.0000  406.701  151.921  ?   ?   149.714   39.909 0.000000 39.90919 
1 1 1  -26  -16    1 o   94.570   19.260  122.441   43.940  171.485  160.661  118.476   45.682  106.411   41.641   92.590   20.316 13.82166 46.33218 
1 1 1  -26  -16    2 o  123.800   16.860  204.096   50.766  241.860  167.852  200.294   53.260  118.922   43.427  122.105   18.008 -3.182915 47.01277 
1 1 1  -26  -16    3 o  185.382   15.312  450.191   70.250  443.246  188.163  451.316   75.725  156.798   45.429  184.880   16.578 -28.08258 48.35946 
1 1 1  -26  -16    4 o   97.469   19.008  130.303   44.604  224.343  170.973  123.436   46.204  114.283   43.412   94.297   20.228 19.98558 47.89296 
1 1 1  -26  -16    5 o   64.882   29.106  -9.6088   97.802 -110.0592  168.321   41.589  120.168   71.677   34.137   78.185   33.744 -6.508339 48.00004 
1 1 1  -26  -16    6 o  108.617   38.993  197.170  134.556   0.0000   0.0000  197.170  134.556  ?   ?   108.617   38.993 0.000000 38.99269 
1 1 1  -26  -16    7 o   56.394   27.169 -121.8107  113.589   0.0000   0.0000 -121.8107  113.589  ?   ?    56.394   27.169 0.000000 27.16857 
1 1 1  -26  -16    8 f  216.222   35.194  748.028  183.492   0.0000   0.0000  748.028  183.492  ?   ?   216.222   35.194 0.000000 35.19399 
1 1 1  -26  -16    9 o  111.744   39.552  222.866  137.980   0.0000   0.0000  222.866  137.980  ?   ?   111.744   39.552 0.000000 39.55230 
1 1 1  -26  -16   10 o  139.409   40.850  358.865  151.378   0.0000   0.0000  358.865  151.378  ?   ?   139.409   40.850 0.000000 40.85011 
1 1 1  -26  -15    1 o  177.486   16.015  412.435   70.217  426.266  180.951  409.983   76.186  158.060   44.147  176.146   17.554 -18.08600 47.50907 
1 1 1  -26  -15    2 o   82.090   20.218   93.129   41.174   15.373  160.152   98.632   42.606   83.936   37.478   84.436   20.428 -0.4998703 42.68404 
1 1 1  -26  -15    3 o   75.634   19.987   79.012   38.319  239.688  166.886   70.069   39.371  119.278   43.341   71.385   20.809 47.89265 48.07741 
1 1 1  -26  -15    4 f  127.827   16.291  216.489   50.821  298.879  171.930  208.601   53.198  130.090   44.254  124.886   17.542 5.204239 47.60363 
1 1 1  -26  -15    5 o   56.935   19.957   40.054   35.060 -212.7484  161.501   52.557   35.916   63.295   30.927   62.795   20.184 0.4993591 36.93063 
1 1 1  -26  -15    6 o   90.807   36.234  108.480  123.823   0.0000   0.0000  108.480  123.823  ?   ?    90.807   36.234 0.000000 36.23370 
1 1 1  -26  -15    7 o  157.127   38.471  409.297  149.739   0.0000   0.0000  409.297  149.739  ?   ?   157.127   38.471 0.000000 38.47078 
1 1 1  -26  -15    8 o   68.893   31.371 -19.2632  118.743   0.0000   0.0000 -19.2632  118.743  ?   ?    68.893   31.371 0.000000 31.37084 
1 1 1  -26  -15    9 o  268.700   34.145  1131.41  223.940   0.0000   0.0000  1131.41  223.940  ?   ?   268.700   34.145 0.000000 34.14548 
1 1 1  -26  -15   10 o   77.373   34.025   36.160  127.106   0.0000   0.0000   36.160  127.106  ?   ?    77.373   34.025 0.000000 34.02464 
1 1 1  -26  -15   11 o  102.921   39.234  183.284  139.958   0.0000   0.0000  183.284  139.958  ?   ?   102.921   39.234 0.000000 39.23394 
1 1 1  -26  -14    1 o  299.720   15.325  1164.00  114.321  1385.89  234.541  1094.85  130.927  311.083   30.587  288.465   18.270 22.61835 35.62832 
1 1 1  -26  -14    2 o  104.250   19.125  147.133   47.953  350.953  163.287  127.895   50.165  145.303   42.383   96.180   21.435 49.12402 47.49516 
1 1 1  -26  -14    3 o   86.405   20.345  102.957   43.173  162.315  165.820   98.641   44.715  106.321   42.086   84.319   21.245 22.00169 47.14412 
1 1 1  -26  -14    4 o  237.046   15.358  731.605   90.423  785.771  207.418  718.896  100.473  223.829   38.497  233.664   17.343 -9.835602 42.22307 
1 1 1  -26  -14    5 o   63.933   20.349   54.498   36.574 -89.3420  156.374   62.822   37.617   71.910   33.844   67.928   20.478 3.982620 39.55727 
1 1 1  -26  -14    6 o   50.292   18.837   26.896   31.935  244.373  165.881   18.525   32.544  119.503   43.243   47.165   18.653 72.33798 47.09401 
1 1 1  -26  -14    7 o  124.747   39.768  261.977  139.645   0.0000   0.0000  261.977  139.645  ?   ?   124.747   39.768 0.000000 39.76843 
1 1 1  -26  -14    8 o  136.703   39.784  317.348  144.019   0.0000   0.0000  317.348  144.019  ?   ?   136.703   39.784 0.000000 39.78422 
1 1 1  -26  -14    9 o  134.776   40.027  313.055  144.515   0.0000   0.0000  313.055  144.515  ?   ?   134.776   40.027 0.000000 40.02673 
1 1 1  -26  -14   10 o   89.908   36.802  105.225  131.488   0.0000   0.0000  105.225  131.488  ?   ?    89.908   36.802 0.000000 36.80232 
1 1 1  -26  -14   11 o   96.146   38.073  141.448  135.756   0.0000   0.0000  141.448  135.756  ?   ?    96.146   38.073 0.000000 38.07298 
1 1 1  -26  -13    1 o  143.919   16.838  272.143   59.371  152.597  157.982  291.803   64.067  105.722   41.314  148.760   17.587 -43.03834 44.90128 
1 1 1  -26  -13    2 o   79.906   21.171   87.909   42.920 -50.7338  149.866  100.296   44.796   75.360   34.662   85.300   21.138 -9.939491 40.59842 
1 1 1  -26  -13    3 o   97.757   20.076  130.456   47.368   32.707  155.424  140.464   49.734   86.230   37.779  101.421   20.345 -15.19046 42.90855 
1 1 1  -26  -13    4 o  253.678   14.875  833.540   93.817  1084.23  217.436  776.196  103.995  272.095   32.653  243.278   17.230 28.81744 36.91985 
1 1 1  -26  -13    5 o   67.739   20.337   62.173   37.158  139.442  157.131   57.596   38.243  101.723   40.738   65.699   20.797 36.02402 45.73989 
1 1 1  -26  -13    6 o  101.904   18.087  140.115   44.341  414.882  171.312  120.385   45.906  156.820   42.628   93.478   20.251 63.34135 47.19361 
1 1 1  -26  -13    7 o  162.502   37.621  420.684  149.651   0.0000   0.0000  420.684  149.651  ?   ?   162.502   37.621 0.000000 37.62076 
1 1 1  -26  -13    8 o  118.769   39.426  233.600  136.507   0.0000   0.0000  233.600  136.507  ?   ?   118.769   39.426 0.000000 39.42649 
1 1 1  -26  -13    9 o  160.993   38.454  423.976  152.474   0.0000   0.0000  423.976  152.474  ?   ?   160.993   38.454 0.000000 38.45436 
1 1 1  -26  -13   10 o   81.040   34.846   50.974  127.194   0.0000   0.0000   50.974  127.194  ?   ?    81.040   34.846 0.000000 34.84598 
1 1 1  -26  -13   12 o   85.090   36.032   77.923  132.373   0.0000   0.0000   77.923  132.373  ?   ?    85.090   36.032 0.000000 36.03189 
1 1 1  -26  -12    1 o  140.291   18.701  261.017   63.885  298.848  156.959  253.505   69.940  136.708   41.959  137.171   21.093 -0.4636383 46.96296 
1 1 1  -26  -12    2 o   79.054   14.783   82.746   28.111   92.873   36.746   68.456   43.649   82.890   18.247   71.420   22.161 11.47041 28.70650 
1 1 1  -26  -12    3 o  210.690   14.816  573.922   77.455  773.325  186.242  532.221   85.169  230.198   33.371  201.730   17.067 28.46803 37.48244 
1 1 1  -26  -12    4 o  237.415   15.010  729.427   88.530  1004.12  202.200  664.281   98.470  264.396   31.228  225.005   17.667 39.39090 35.87892 
1 1 1  -26  -12    5 o   83.344   21.052   95.907   43.827  132.519  161.537   92.997   45.535  101.810   41.117   81.937   21.853 19.87300 46.56344 
1 1 1  -26  -12    6 o   74.026   20.889   75.278   40.296  -1.5861  160.561   80.445   41.628   82.586   37.151   76.382   21.118 6.204132 42.73333 
1 1 1  -26  -12    7 o  144.568   16.019  274.696   56.857  382.097  175.738  262.139   60.089  149.152   44.103  140.521   17.503 8.630875 47.44893 
1 1 1  -26  -12    8 f  260.262   33.140  1009.74  210.498   0.0000   0.0000  1009.74  210.498  ?   ?   260.262   33.140 0.000000 33.13998 
1 1 1  -26  -12    9 o  149.425   39.479  367.753  149.520   0.0000   0.0000  367.753  149.520  ?   ?   149.425   39.479 0.000000 39.47871 
1 1 1  -26  -12   10 o   67.195   31.276 -59.7426  127.522   0.0000   0.0000 -59.7426  127.522  ?   ?    67.195   31.276 0.000000 31.27647 
1 1 1  -26  -12   11 o  158.822   40.562  426.957  161.441   0.0000   0.0000  426.957  161.441  ?   ?   158.822   40.562 0.000000 40.56164 
1 1 1  -26  -12   12 o   97.850   38.361  143.331  136.540   0.0000   0.0000  143.331  136.540  ?   ?    97.850   38.361 0.000000 38.36076 
1 1 1  -26  -12   13 o  191.219   38.224  603.802  176.141   0.0000   0.0000  603.802  176.141  ?   ?   191.219   38.224 0.000000 38.22373 
1 1 1  -26  -11    1 o  104.093   21.328  147.567   53.575   93.777  145.405  156.016   57.630   95.160   38.798  106.722   22.341 -11.56255 44.77025 
1 1 1  -26  -11    2 o   59.008   16.634   46.309   25.567   57.270   31.998   26.955   42.518   65.379   18.672   54.921   21.441 10.45745 28.43173 
1 1 1  -26  -11    3 o  208.724   12.162  556.444   63.118  532.888   88.258  581.102   90.301  201.745   17.697  210.947   17.294 -9.201630 24.74454 
1 1 1  -26  -11    4 o  308.687   15.011  1226.59  115.711  1316.90  237.946  1198.63  132.424  303.273   31.897  303.025   17.575 0.2474976 36.41879 
1 1 1  -26  -11    5 o  182.824   15.322  433.953   69.308  740.539  182.053  381.987   74.951  225.045   33.409  170.270   17.895 54.77472 37.90007 
1 1 1  -26  -11    6 o  168.965   15.245  371.328   63.630  593.313  174.752  337.399   68.320  197.561   36.775  160.049   17.373 37.51123 40.67218 
1 1 1  -26  -11    7 o   80.002   20.486   88.158   41.104   50.661  164.353   90.659   42.453   89.918   39.134   81.047   20.855 8.871124 44.34431 
1 1 1  -26  -11    8 f  153.254   39.593  378.765  152.599   0.0000   0.0000  378.765  152.599  ?   ?   153.254   39.593 0.000000 39.59274 
1 1 1  -26  -11    9 o  160.320   39.924  418.125  159.225   0.0000   0.0000  418.125  159.225  ?   ?   160.320   39.924 0.000000 39.92366 
1 1 1  -26  -11   11 o   90.105   37.021   95.043  133.673   0.0000   0.0000   95.043  133.673  ?   ?    90.105   37.021 0.000000 37.02073 
1 1 1  -26  -11   12 o  182.495   38.552  541.017  170.184   0.0000   0.0000  541.017  170.184  ?   ?   182.495   38.552 0.000000 38.55198 
1 1 1  -26  -11   13 o  145.505   41.433  369.126  157.796   0.0000   0.0000  369.126  157.796  ?   ?   145.505   41.433 0.000000 41.43333 
1 1 1  -26  -10    1 o  128.332   18.933  218.488   58.852  384.909  145.249  185.801   64.373  160.273   37.035  116.612   22.923 43.66123 43.55540 
1 1 1  -26  -10    2 o  107.488   12.992  149.260   34.164  133.412   44.518  171.964   53.287   99.849   18.537  113.320   19.536 -13.47121 26.93071 
1 1 1  -26  -10    3 o   98.566   13.898  126.518   33.259  148.218   43.669   96.547   51.321  105.811   17.111   83.729   23.555 22.08182 29.11421 
1 1 1  -26  -10    4 o  171.910   12.322  378.115   52.546  406.495   72.607  346.907   76.141  176.563   16.665  161.865   19.212 14.69807 25.43277 
1 1 1  -26  -10    5 o  204.258   11.982  532.722   60.848  520.076   85.031  545.994   87.110  199.479   17.239  204.427   17.224 -4.948135 24.36954 
1 1 1  -26  -10    6 o  158.813   16.169  329.374   63.230  507.617  172.501  301.709   67.960  180.852   39.317  150.961   18.409 29.89018 43.41370 
1 1 1  -26  -10    7 o   97.555   20.292  129.933   47.823   14.288  155.743  141.972   50.250   84.209   37.316  102.025   20.436 -17.81596 42.54570 
1 1 1  -26  -10    8 o   78.749   21.917   85.690   44.682   0.0000   0.0000   85.690   44.682  ?   ?    78.749   21.917 0.000000 21.91734 
1 1 1  -26  -10   10 o  108.524   39.593  182.100  139.477   0.0000   0.0000  182.100  139.477  ?   ?   108.524   39.593 0.000000 39.59342 
1 1 1  -26  -10   11 o  173.204   39.227  483.861  165.725   0.0000   0.0000  483.861  165.725  ?   ?   173.204   39.227 0.000000 39.22659 
1 1 1  -26  -10   12 o  182.465   38.754  536.352  171.131   0.0000   0.0000  536.352  171.131  ?   ?   182.465   38.754 0.000000 38.75424 
1 1 1  -26  -10   13 o  131.928   41.616  301.444  153.231   0.0000   0.0000  301.444  153.231  ?   ?   131.928   41.616 0.000000 41.61582 
1 1 1  -26  -10   14 o   92.823   38.023  111.801  140.487   0.0000   0.0000  111.801  140.487  ?   ?    92.823   38.023 0.000000 38.02346 
1 1 1  -26   -9    1 f  137.477   18.866  249.716   63.061  285.518  143.123  241.091   70.247  136.641   39.630  133.869   21.761 2.772552 45.21116 
1 1 1  -26   -9    2 f  150.573   12.430  290.126   46.319  416.992   64.311  153.378   66.768  179.999   14.429  104.850   25.700 75.14844 29.47332 
1 1 1  -26   -9    3 o   99.714   13.673  129.149   33.150  159.927   43.971   88.617   50.460  110.284   16.471   80.577   23.577 29.70621 28.76089 
1 1 1  -26   -9    4 o  143.420   12.356  263.535   43.819  315.991   59.866  203.000   64.311  156.036   15.572  122.376   21.846 33.65985 26.82791 
1 1 1  -26   -9    5 o  150.098   12.199  288.458   45.327  289.073   61.767  287.740   66.724  148.582   16.951  147.591   18.511 0.9908295 25.09946 
1 1 1  -26   -9    6 o  107.650   13.537  150.358   35.585  168.976   47.936  127.505   53.109  112.864   17.581   96.102   22.523 16.76160 28.57219 
1 1 1  -26   -9    7 o  160.066   12.268  328.338   48.665  334.411   67.497  321.764   70.229  159.614   17.206  156.010   18.379 3.604019 25.17642 
1 1 1  -26   -9    8 o   74.284   22.132   75.241   44.129  170.632  157.893   67.159   45.961  108.785   41.624   70.989   22.834 37.79570 47.47572 
1 1 1  -26   -9    9 o   99.091   38.809  129.286  139.648   0.0000   0.0000  129.286  139.648  ?   ?    99.091   38.809 0.000000 38.80948 
1 1 1  -26   -9   10 o  102.654   39.000  150.773  137.996   0.0000   0.0000  150.773  137.996  ?   ?   102.654   39.000 0.000000 38.99950 
1 1 1  -26   -9   11 o  172.724   38.821  474.498  163.370   0.0000   0.0000  474.498  163.370  ?   ?   172.724   38.821 0.000000 38.82143 
1 1 1  -26   -9   12 o  140.231   41.261  330.082  154.156   0.0000   0.0000  330.082  154.156  ?   ?   140.231   41.261 0.000000 41.26096 
1 1 1  -26   -9   13 o  198.255   38.084  624.471  181.694   0.0000   0.0000  624.471  181.694  ?   ?   198.255   38.084 0.000000 38.08411 
1 1 1  -26   -9   14 o  118.606   41.136  238.954  148.777   0.0000   0.0000  238.954  148.777  ?   ?   118.606   41.136 0.000000 41.13607 
1 1 1  -26   -8    1 o  110.038   20.978  163.265   55.541  330.215  138.687  131.375   60.614  148.605   37.401   97.408   24.841 51.19695 44.89897 
1 1 1  -26   -8    2 o  236.921   12.389  715.072   73.041  819.686  102.260  606.111  104.362  251.895   16.345  214.814   19.673 37.08061 25.57749 
1 1 1  -26   -8    3 o  214.933   11.684  587.687   62.476  672.486   87.327  498.774   89.420  228.444   15.398  195.182   18.570 33.26227 24.12339 
1 1 1  -26   -8    4 o   67.435   16.206   60.821   26.951   46.947   34.175   83.646   43.833   60.600   19.708   78.391   21.668 -17.79106 29.29057 
1 1 1  -26   -8    5 o  142.129   12.260  258.703   43.088  312.804   58.897  196.402   63.202  155.329   15.386  120.356   21.833 34.97245 26.70980 
1 1 1  -26   -8    6 o   91.098   14.404  108.737   31.678  145.907   41.322   55.749   49.336  105.239   16.247   67.357   23.670 37.88213 28.70921 
1 1 1  -26   -8    7 o   61.313   21.771   44.839   41.839   0.0000   0.0000   44.839   41.839  ?   ?    61.313   21.771 0.000000 21.77145 
1 1 1  -26   -8    8 o  106.454   13.763  147.376   35.731  170.851   46.058  111.891   56.627  113.747   16.713   89.485   24.585 24.26252 29.72790 
1 1 1  -26   -8    9 o  112.885   40.426  193.717  144.548   0.0000   0.0000  193.717  144.548  ?   ?   112.885   40.426 0.000000 40.42621 
1 1 1  -26   -8   10 o  143.656   40.349  332.453  150.712   0.0000   0.0000  332.453  150.712  ?   ?   143.656   40.349 0.000000 40.34852 
1 1 1  -26   -8   11 o  136.838   40.639  305.734  148.968   0.0000   0.0000  305.734  148.968  ?   ?   136.838   40.639 0.000000 40.63861 
1 1 1  -26   -8   12 o  168.674   40.091  459.620  166.382   0.0000   0.0000  459.620  166.382  ?   ?   168.674   40.091 0.000000 40.09084 
1 1 1  -26   -8   13 o   97.927   38.925  129.259  142.395   0.0000   0.0000  129.259  142.395  ?   ?    97.927   38.925 0.000000 38.92492 
1 1 1  -26   -8   14 o  104.750   40.259  167.024  148.122   0.0000   0.0000  167.024  148.122  ?   ?   104.750   40.259 0.000000 40.25930 
1 1 1  -26   -8   15 o  207.718   37.386  684.274  186.796   0.0000   0.0000  684.274  186.796  ?   ?   207.718   37.386 0.000000 37.38639 
1 1 1  -26   -7    1 o  135.250   19.449  242.154   63.798  360.328  139.875  211.112   71.689  156.163   36.520  124.361   23.953 31.80152 43.67474 
1 1 1  -26   -7    2 o  224.085   11.779  638.410   65.682  670.246   90.868  603.576   95.049  227.890   16.070  215.393   17.832 12.49731 24.00458 
1 1 1  -26   -7    3 o  206.041   12.527  541.437   64.148  624.805   89.356  452.783   92.146  219.793   16.398  185.196   20.255 34.59654 26.06076 
1 1 1  -26   -7    4 o  154.598   11.867  305.012   45.466  355.709   62.145  246.623   66.692  165.939   15.165  136.062   20.245 29.87709 25.29516 
1 1 1  -26   -7    5 o  189.436   11.593  456.897   54.576  455.052   75.321  458.937   79.187  187.324   16.263  187.777   17.074 -0.4530334 23.57979 
1 1 1  -26   -7    6 o   54.884   21.162   28.280   41.025   0.0000   0.0000   28.280   41.025  ?   ?    54.884   21.162 0.000000 21.16242 
1 1 1  -26   -7    7 o  186.608   16.354  452.667   75.440  452.667   75.440   0.0000   0.0000  186.608   16.354  ?   ?  0.000000 16.35412 
1 1 1  -26   -7    8 o   95.075   14.261  118.232   32.815  115.498   42.803  122.130   51.109   92.425   19.174   94.171   22.111 -1.746162 29.26680 
1 1 1  -26   -7    9 o   74.195   15.866   73.617   28.506   88.554   36.738   51.020   45.188   80.817   18.591   64.478   22.653 16.33889 29.30506 
1 1 1  -26   -7   10 o   89.657   18.808  108.931   40.765  112.767   42.704   69.550  136.818   91.075   19.372   88.609   37.022 2.466454 41.78421 
1 1 1  -26   -7   11 o  116.312   40.620  212.250  145.188   0.0000   0.0000  212.250  145.188  ?   ?   116.312   40.620 0.000000 40.61999 
1 1 1  -26   -7   12 o  164.866   40.545  438.624  165.764   0.0000   0.0000  438.624  165.764  ?   ?   164.866   40.545 0.000000 40.54506 
1 1 1  -26   -7   13 o  210.010   37.360  683.095  188.747   0.0000   0.0000  683.095  188.747  ?   ?   210.010   37.360 0.000000 37.35991 
1 1 1  -26   -7   14 o  109.871   40.928  189.820  150.358   0.0000   0.0000  189.820  150.358  ?   ?   109.871   40.928 0.000000 40.92816 
1 1 1  -26   -7   15 o  122.591   42.852  257.736  161.601   0.0000   0.0000  257.736  161.601  ?   ?   122.591   42.852 0.000000 42.85223 
1 1 1  -26   -6    1 o   82.213   22.441   92.002   47.362  199.410  127.247   74.728   51.029  116.819   38.032   75.272   24.045 41.54713 44.99490 
1 1 1  -26   -6    2 o  141.012   12.476  254.410   43.480  294.920   58.245  203.420   65.346  150.904   15.686  122.759   22.131 28.14526 27.12580 
1 1 1  -26   -6    3 o  227.001   11.492  654.508   64.933  724.925   90.121  578.490   93.637  237.414   15.282  210.789   17.960 26.62540 23.58202 
1 1 1  -26   -6    4 o  152.884   12.576  298.996   47.588  377.818   65.263  209.499   69.541  170.998   15.450  124.045   23.306 46.95332 27.96179 
1 1 1  -26   -6    5 o   90.161   14.994  106.711   32.574  137.042   42.873   65.294   50.098  101.664   17.520   71.320   23.890 30.34398 29.62583 
1 1 1  -26   -6    6 o   97.832   14.384  124.864   34.092  153.706   44.915   85.660   52.366  107.841   17.261   79.495   24.205 28.34563 29.72928 
1 1 1  -26   -6    7 f  132.532   12.957  225.855   42.333  251.731   57.518  195.272   62.532  138.621   16.970  120.074   21.651 18.54713 27.50929 
1 1 1  -26   -6    8 o  109.741   13.676  156.156   36.665  177.897   48.713  127.744   55.687  116.025   17.345   96.038   23.428 19.98724 29.15044 
1 1 1  -26   -6    9 o  311.528   12.505  1236.96   97.280  1279.06  137.489  1194.74  137.662  313.203   17.651  302.174   18.330 11.02890 25.44679 
1 1 1  -26   -6   10 o  141.698   17.553  264.773   60.780  286.220   66.296  151.749  152.191  146.994   18.469  105.366   40.723 41.62874 44.71507 
1 1 1  -26   -6   11 o  192.006   15.732  479.525   74.771  385.570   82.838  892.623  173.699  169.998   19.889  252.456   28.025 -82.45778 34.36590 
1 1 1  -26   -6   12 o   67.280   19.533   61.218   34.753   59.989   35.903   79.483  138.429   66.743   19.980   90.092   37.406 -23.34936 42.40791 
1 1 1  -26   -6   13 o  140.320   42.184  327.607  159.791   0.0000   0.0000  327.607  159.791  ?   ?   140.320   42.184 0.000000 42.18402 
1 1 1  -26   -6   14 o  171.087   40.940  477.345  172.574   0.0000   0.0000  477.345  172.574  ?   ?   171.087   40.940 0.000000 40.94020 
1 1 1  -26   -6   15 o  105.961   40.492  170.054  149.302   0.0000   0.0000  170.054  149.302  ?   ?   105.961   40.492 0.000000 40.49156 
1 1 1  -26   -6   16 o  192.120   40.232  602.107  186.831   0.0000   0.0000  602.107  186.831  ?   ?   192.120   40.232 0.000000 40.23221 
1 1 1  -26   -5    1 o  161.936   12.070  334.374   48.457  327.093   64.835  343.587   72.937  158.699   16.606  162.016   18.351 -3.317245 24.74909 
1 1 1  -26   -5    2 o  225.080   12.121  644.508   67.875  618.910   93.242  673.362   98.994  218.498   17.229  227.810   17.536 -9.311783 24.58352 
1 1 1  -26   -5    3 o  342.757   12.974  1494.26  111.048  1473.99  154.644  1515.83  159.563  336.837   18.455  341.354   18.791 -4.516754 26.33821 
1 1 1  -26   -5    4 o  272.033   12.211  939.493   82.951  938.198  114.767  940.909  120.031  269.198   17.162  269.134   17.963 0.6469727E-01 24.84342 
1 1 1  -26   -5    5 f   85.835   23.300  101.024   51.224   0.0000   0.0000  101.024   51.224  ?   ?    85.835   23.300 0.000000 23.30020 
1 1 1  -26   -5    6 o  113.193   14.667  166.525   40.483  189.725   50.450  124.577   67.839  120.065   17.328   94.467   27.251 25.59846 32.29358 
1 1 1  -26   -5    7 o  116.862   12.869  175.897   36.932  206.808   48.978  135.156   56.230  125.872   15.939   99.063   23.147 26.80837 28.10430 
1 1 1  -26   -5    8 o   86.133   14.933   97.711   30.955  104.429   40.113   87.818   48.674   87.994   18.824   80.139   23.073 7.855476 29.77748 
1 1 1  -26   -5    9 o  310.007   13.564  1228.53  105.002  1321.88  147.866  1133.57  149.133  317.772   18.717  292.829   20.524 24.94315 27.77664 
1 1 1  -26   -5   10 o  110.133   17.330  160.854   46.087  146.537   48.503  293.939  147.876  104.302   19.334  136.399   40.485 -32.09705 44.86484 
1 1 1  -26   -5   11 o  305.044   16.795  1210.82  127.447  928.038  152.591  1863.15  231.757  261.822   23.592  369.518   25.267 -107.6962 34.56890 
1 1 1  -26   -5   12 o   76.469   19.313   79.823   36.889   80.102   38.238   76.075  140.150   76.521   19.844   90.110   37.544 -13.58878 42.46585 
1 1 1  -26   -5   13 o  198.013   16.171  511.884   79.263  432.073   88.186  847.483  180.832  179.766   19.983  242.905   30.483 -63.13889 36.44899 
1 1 1  -26   -5   14 o   90.588   38.111   77.606  146.546   0.0000   0.0000   77.606  146.546  ?   ?    90.588   38.111 0.000000 38.11103 
1 1 1  -26   -5   15 o  100.805   39.996  139.230  150.087   0.0000   0.0000  139.230  150.087  ?   ?   100.805   39.996 0.000000 39.99600 
1 1 1  -26   -5   16 o  124.766   42.991  265.541  162.370   0.0000   0.0000  265.541  162.370  ?   ?   124.766   42.991 0.000000 42.99106 
1 1 1  -26   -4    1 f  243.049   12.123  749.451   73.582  767.202  100.974  729.350  107.449  243.671   16.695  236.748   18.317 6.922638 24.78377 
1 1 1  -26   -4    2 o  228.685   11.960  664.947   68.065  677.599   93.454  650.655   99.332  229.042   16.449  223.722   17.931 5.319992 24.33246 
1 1 1  -26   -4    3 o  315.458   12.814  1265.08  100.942  1191.36  139.906  1345.12  145.781  302.654   18.602  321.918   18.209 -19.26392 26.03059 
1 1 1  -26   -4    4 f  283.078   12.854  1019.04   90.862  1053.09  126.893  983.212  130.166  284.833   17.932  274.478   19.110 10.35522 26.20554 
1 1 1  -26   -4    5 o  129.342   16.522  218.489   52.144  226.216   55.027  150.492  163.240  131.415   17.179  108.373   42.094 23.04193 45.46449 
1 1 1  -26   -4    6 o  167.017   12.357  356.304   51.173  393.141   69.756  313.379   75.300  174.112   16.231  153.744   20.094 20.36794 25.82998 
1 1 1  -26   -4    7 f  175.195   12.273  391.919   53.355  434.529   72.980  342.994   78.201  183.089   16.127  160.951   19.879 22.13818 25.59791 
1 1 1  -26   -4    8 o  191.122   12.015  465.895   57.050  517.400   78.783  409.111   82.723  199.905   15.914  176.214   19.105 23.69011 24.86452 
1 1 1  -26   -4    9 o  281.581   12.645  1010.07   88.915  1077.52  125.141  941.307  126.357  287.759   17.498  267.914   19.010 19.84491 25.83719 
1 1 1  -26   -4   10 o  130.215   17.535  223.671   55.567  230.977   59.981  179.439  147.586  131.876   18.741  111.051   40.696 20.82462 44.80371 
1 1 1  -26   -4   11 o  199.232   17.532  519.811   86.335  548.131   99.382  432.691  174.309  203.335   19.825  164.265   42.253 39.07016 46.67261 
1 1 1  -26   -4   12 o  111.840   17.292  166.062   46.736  150.704   49.165  310.077  150.556  105.676   19.344  139.141   40.730 -33.46513 45.08964 
1 1 1  -26   -4   13 o  104.780   17.781  146.848   44.861  131.695   46.941  306.585  152.411   98.373   19.794  137.468   41.169 -39.09487 45.68062 
1 1 1  -26   -4   14 o  176.845   17.148  411.328   74.775  406.330   82.884  433.186  173.326  174.584   19.336  162.285   42.328 12.29816 46.53566 
1 1 1  -26   -4   15 o  197.787   40.452  625.220  193.059   0.0000   0.0000  625.220  193.059  ?   ?   197.787   40.452 0.000000 40.45190 
1 1 1  -26   -4   16 o  138.335   43.403  328.127  166.905   0.0000   0.0000  328.127  166.905  ?   ?   138.335   43.403 0.000000 43.40293 
1 1 1  -26   -3    1 o  230.023   12.185  673.287   69.740  687.221   95.666  657.483  101.881  230.504   16.734  224.670   18.319 5.834625 24.81132 
1 1 1  -26   -3    2 o  231.958   11.985  684.210   69.183  653.426   94.583  719.630  101.456  224.623   16.988  235.595   17.367 -10.97121 24.29408 
1 1 1  -26   -3    3 o  219.400   11.959  612.302   65.274  543.843   88.501  693.969   96.660  204.579   17.492  231.581   16.830 -27.00192 24.27326 
1 1 1  -26   -3    4 o  192.757   12.824  474.438   61.378  455.242   84.163  496.246   89.707  186.684   18.288  194.800   18.670 -8.116287 26.13470 
1 1 1  -26   -3    5 o  244.042   12.067  755.942   73.539  760.778  100.829  750.446  107.490  242.476   16.755  240.142   18.057 2.334198 24.63273 
1 1 1  -26   -3    6 o  135.788   12.664  236.409   42.447  251.485   56.454  216.800   64.383  138.827   16.614  127.133   21.014 11.69411 26.78853 
1 1 1  -26   -3    7 o   86.453   15.603   98.705   32.445   98.007   41.218   99.842   52.606   85.053   19.780   85.246   23.801 -0.1923294 30.94775 
1 1 1  -26   -3    8 o  259.201   13.203  858.726   85.175  946.994  119.343  767.085  121.601  269.718   17.819  241.111   20.387 28.60652 27.07708 
1 1 1  -26   -3    9 o  176.481   12.449  398.275   54.510  364.390   73.963  438.563   80.648  166.605   18.067  183.022   17.874 -16.41696 25.41449 
1 1 1  -26   -3   10 o  192.782   16.554  483.616   78.921  439.885   88.938  645.614  171.178  182.189   19.871  210.979   33.619 -28.79086 39.05218 
1 1 1  -26   -3   11 o  170.377   16.322  378.411   68.593  331.363   75.465  602.018  164.521  157.899   19.557  203.214   33.594 -45.31512 38.87230 
1 1 1  -26   -3   12 o   80.317   19.445   87.935   38.584   85.470   39.838  125.235  154.947   79.058   20.127  100.857   40.432 -21.79902 45.16451 
1 1 1  -26   -3   13 o  118.130   17.378  185.130   49.732  176.118   52.562  262.131  153.642  114.512   19.051  127.487   41.804 -12.97529 45.94027 
1 1 1  -26   -3   14 o   54.678   18.771   36.747   30.942   41.924   31.674 -71.3421  144.729   57.364   18.989   71.737   33.367 -14.37256 38.39191 
1 1 1  -26   -3   15 o  138.587   17.252  254.149   58.412  247.042   62.438  303.991  165.346  135.855   18.918  134.460   43.317 1.394928 47.26765 
1 1 1  -26   -3   16 o   92.059   18.604  115.165   41.297  100.322   42.698  330.242  162.533   85.260   20.339  139.943   42.651 -54.68243 47.25243 
1 1 1  -26   -3   17 o  102.329   41.114  145.190  160.611   0.0000   0.0000  145.190  160.611  ?   ?   102.329   41.114 0.000000 41.11406 
1 1 1  -26   -2    1 o  165.568   13.034  350.869   53.453  380.267   72.305  315.437   79.379  170.917   17.173  153.857   21.226 17.06035 27.30261 
1 1 1  -26   -2    2 o  133.688   13.416  229.804   44.185  224.906   58.237  236.448   67.826  130.630   18.360  132.917   21.143 -2.286438 28.00158 
1 1 1  -26   -2    3 o  277.191   18.314  999.424  126.058   0.0000   0.0000  999.424  126.058  ?   ?   277.191   18.314 0.000000 18.31446 
1 1 1  -26   -2    4 o  150.441   16.995  295.135   62.727  295.135   62.727   0.0000   0.0000  150.441   16.995  ?   ?  0.000000 16.99505 
1 1 1  -26   -2    5 o  205.341   12.622  537.979   64.409  511.446   87.611  569.186   95.014  198.065   17.907  208.776   18.413 -10.71101 25.68472 
1 1 1  -26   -2    6 o  129.552   13.275  215.939   42.341  203.348   55.709  233.160   65.150  123.957   18.569  132.178   20.394 -8.220932 27.58130 
1 1 1  -26   -2    7 o  237.851   12.798  722.037   75.738  744.943  104.242  696.424  110.227  239.348   17.563  230.415   19.336 8.932846 26.12158 
1 1 1  -26   -2    8 f   87.578   15.641  101.312   32.952  122.437   42.299   68.702   52.554   95.641   18.378   72.919   24.468 22.72279 30.60180 
1 1 1  -26   -2    9 o   59.043   17.558   45.950   27.795   28.021   33.812   83.311   48.809   51.972   19.399   78.266   23.266 -26.29395 30.29247 
1 1 1  -26   -2   10 o  191.829   18.083  482.396   85.600  549.030   98.950  284.227  170.641  203.882   19.680  133.083   44.076 70.79832 48.27026 
1 1 1  -26   -2   11 o  135.678   17.901  243.147   59.170  261.244   64.165  140.305  152.960  140.341   18.780  103.821   40.630 36.51992 44.75979 
1 1 1  -26   -2   12 f  237.747   17.261  737.943  101.777  683.741  119.175  883.993  195.629  226.227   21.348  247.640   32.413 -21.41296 38.81119 
1 1 1  -26   -2   13 o  166.469   17.249  363.950   70.663  364.984   78.073  359.266  166.184  165.746   19.220  148.319   42.613 17.42740 46.74667 
1 1 1  -26   -2   14 o   99.863   18.581  134.428   44.630  135.718   46.625  120.317  154.234  100.063   19.359   99.273   40.147 0.7899857 44.57120 
1 1 1  -26   -2   15 o  140.060   17.366  259.494   59.435  256.262   63.465  282.549  169.502  138.506   18.838  129.879   43.941 8.626984 47.80909 
1 1 1  -26   -2   16 o   89.507   18.750  109.020   40.568   99.037   41.884  260.391  163.095   84.829   20.083  125.049   43.087 -40.22091 47.53774 
1 1 1  -26   -2   17 o  123.217   17.263  202.059   51.660  174.932   54.148  477.153  172.432  113.400   19.844  170.884   40.944 -57.48379 45.49983 
1 1 1  -26   -1    1 o  111.358   14.674  161.209   39.813  190.991   51.670  117.692   62.459  120.363   17.721   92.094   26.013 28.26863 31.47563 
1 1 1  -26   -1    2 o   66.291   17.744   58.829   29.954   36.725   36.566  103.922   52.225   56.682   20.329   86.986   23.491 -30.30429 31.06605 
1 1 1  -26   -1    3 o  207.496   12.702  549.487   65.501  559.359   88.364  537.446   97.587  207.510   17.208  202.243   19.567 5.267288 26.05727 
1 1 1  -26   -1    4 o   70.773   17.741   67.262   31.294   96.057   39.365   17.818   51.584   84.384   19.123   55.961   22.995 28.42336 29.90798 
1 1 1  -26   -1    5 o  102.443   14.406  136.607   35.834  127.189   45.717  151.615   57.707   97.246   19.505  105.323   22.616 -8.077171 29.86517 
1 1 1  -26   -1    6 o  123.622   13.645  197.189   41.421  227.810   54.442  155.097   63.829  131.908   16.918  105.831   24.617 26.07661 29.86934 
1 1 1  -26   -1    7 o   87.776   16.064  101.992   33.914  116.165   42.872   78.292   55.439   92.907   19.116   76.939   25.106 15.96826 31.55524 
1 1 1  -26   -1    8 o   98.535   14.859  127.019   35.426  124.094   45.433  131.554   56.581   95.897   19.633   97.599   23.497 -1.701813 30.62001 
1 1 1  -26   -1    9 o  154.445   17.134  312.061   64.967  304.616   71.197  349.103  158.811  151.698   19.226  149.149   41.252 2.548828 45.51188 
1 1 1  -26   -1   10 o   71.271   19.986   68.665   37.010   55.967   38.144  272.619  152.873   65.372   20.779  131.612   41.573 -66.24044 46.47618 
1 1 1  -26   -1   11 o   57.054   19.426   40.190   33.129   34.882   34.028  136.714  145.103   54.908   19.620  102.410   39.712 -47.50169 44.29412 
1 1 1  -26   -1   12 o  242.615   20.374  780.975  122.293  1027.22  151.161  314.444  208.063  277.107   22.026  136.077   48.526 141.0297 53.29080 
1 1 1  -26   -1   13 o  143.130   17.401  270.044   60.916  268.933   65.970  276.475  158.686  142.101   19.072  130.695   42.467 11.40520 46.55312 
1 1 1  -26   -1   14 o  106.392   18.715  152.217   47.905  154.629   50.408  129.716  153.938  106.904   19.605  100.967   40.362 5.937386 44.87167 
1 1 1  -26   -1   15 o   79.569   19.908   86.862   39.461   94.491   40.751 -27.9223  158.068   82.997   19.916   79.439   36.181 3.558426 41.30038 
1 1 1  -26   -1   16 o   98.942   18.740  132.501   44.606  136.535   46.430   84.167  160.730  100.282   19.240   93.818   39.715 6.463623 44.12997 
1 1 1  -26   -1   17 o  143.255   17.548  272.300   61.463  274.131   65.714  259.506  173.715  143.115   18.846  123.966   44.326 19.14883 48.16567 
1 1 1  -26    0    1 o   60.945   18.241   48.948   29.927   53.553   36.846   40.021   51.301   64.173   20.425   62.521   23.772 1.652287 31.34152 
1 1 1  -26    0    2 o  125.960   21.611  213.960   65.530   0.0000   0.0000  213.960   65.530  ?   ?   125.960   21.611 0.000000 21.61132 
1 1 1  -26    0    3 o  213.723   13.551  584.898   71.948  635.712   91.342  501.841  116.780  221.477   16.637  192.308   24.902 29.16927 29.94855 
1 1 1  -26    0    4 o  122.053   13.881  192.505   41.555  195.807   53.833  187.636   65.370  121.660   18.285  117.185   23.160 4.474998 29.50775 
1 1 1  -26    0    5 o  149.526   12.910  286.667   47.734  348.461   63.722  207.655   72.055  163.968   15.757  122.912   24.337 41.05609 28.99215 
1 1 1  -26    0    6 o  138.985   13.092  248.172   44.904  256.323   59.587  237.458   68.313  139.791   17.449  132.951   21.295 6.839691 27.53078 
1 1 1  -26    0    7 o  147.989   13.089  281.166   47.872  292.381   63.756  266.671   72.484  149.404   17.415  141.026   21.241 8.377670 27.46785 
1 1 1  -26    0    8 o  231.740   12.102  684.413   69.790  666.552   95.681  704.718  102.020  226.451   17.045  232.520   17.703 -6.068771 24.57513 
1 1 1  -26    0    9 o   82.945   19.980   93.588   40.892   92.861   42.516  102.561  149.382   82.489   20.679   97.302   39.454 -14.81308 44.54523 
1 1 1  -26    0   10 o   92.569   19.935  116.306   44.719  133.184   46.963 -47.7258  146.407   99.309   19.633   75.606   34.584 23.70293 39.76829 
1 1 1  -26    0   11 o  122.058   18.069  197.632   53.411  198.365   56.881  192.168  155.293  121.785   19.351  113.856   41.742 7.928482 46.00880 
1 1 1  -26    0   12 o   79.134   20.150   85.554   39.925   97.115   41.574 -51.5205  143.160   84.334   20.037   74.032   33.986 10.30265 39.45351 
1 1 1  -26    0   13 o  160.111   17.605  337.438   69.229  350.932   76.148  273.146  166.214  162.587   19.120  129.552   43.515 33.03554 47.53015 
1 1 1  -26    0   14 o  242.762   18.161  774.619  109.296  778.576  129.120  764.618  205.275  240.854   21.701  223.701   38.113 17.15286 43.85803 
1 1 1  -26    0   15 o  149.442   16.954  294.004   62.150  264.849   66.742  484.279  170.505  140.583   19.540  174.896   39.919 -34.31355 44.44517 
1 1 1  -26    0   16 o  116.731   18.435  182.645   51.953  192.235   54.668   93.227  166.928  119.601   18.935   96.107   40.567 23.49448 44.76808 
1 1 1  -26    0   17 o   87.545   19.053  104.669   40.469  100.255   41.731  174.348  165.805   85.376   19.935  108.409   42.335 -23.03273 46.79424 
1 1 1  -26    1    1 o  147.126   13.653  278.757   49.591  317.899   66.320  229.113   74.689  155.812   17.339  129.192   24.036 26.62059 29.63689 
1 1 1  -26    1    2 o  307.793   15.976  1223.10  122.370  1166.61  137.443  1439.13  268.757  298.912   18.504  315.831   34.645 -16.91962 39.27723 
1 1 1  -26    1    3 o  101.175   15.476  134.287   37.858  157.784   48.640   98.180   60.296  108.804   18.568   84.643   26.011 24.16147 31.95854 
1 1 1  -26    1    4 o  190.179   12.830  462.626   60.576  505.205   81.694  410.626   90.282  197.163   16.751  175.637   21.001 21.52559 26.86315 
1 1 1  -26    1    5 o  221.240   12.618  624.945   69.424  633.349   94.645  615.157  102.144  220.606   17.319  216.463   19.092 4.143585 25.77719 
1 1 1  -26    1    6 o  145.095   13.316  270.685   47.708  314.618   63.572  214.042   72.186  155.316   16.650  124.838   24.027 30.47820 29.23277 
1 1 1  -26    1    7 o  162.774   12.679  339.326   51.130  378.324   68.398  289.932   76.976  170.598   16.252  146.888   21.633 23.70992 27.05769 
1 1 1  -26    1    8 o  228.654   17.687  682.015  100.207  656.549  116.053  756.636  198.656  222.297   21.162  226.583   36.338 -4.285950 42.05027 
1 1 1  -26    1    9 o   73.612   20.622   73.491   39.422   72.377   40.801   89.147  152.926   73.128   21.145   95.482   39.453 -22.35387 44.76202 
1 1 1  -26    1   10 o  140.179   17.474  258.533   59.841  241.863   64.146  370.396  166.163  134.630   19.659  152.316   42.221 -17.68513 46.57332 
1 1 1  -26    1   11 o  222.146   17.363  644.372   95.554  605.451  109.740  766.399  194.312  213.242   20.876  228.168   35.238 -14.92569 40.95774 
1 1 1  -26    1   12 o  123.437   17.978  202.195   53.789  189.931   57.033  300.900  161.800  118.787   19.933  136.300   42.729 -17.51289 47.14977 
1 1 1  -26    1   13 o   57.660   19.836   40.922   34.558   50.242   35.474 -132.6327  153.080   62.154   20.068   68.593   32.637 -6.438583 38.31300 
1 1 1  -26    1   14 o  270.170   18.568  960.664  124.514  943.208  149.632  999.967  224.523  264.222   22.905  259.053   35.652 5.169281 42.37548 
1 1 1  -26    1   15 o  223.676   17.940  658.180   99.361  653.084  114.291  673.951  201.067  220.776   20.983  206.949   40.357 13.82718 45.48555 
1 1 1  -26    1   16 f   84.043   19.864   96.934   41.029   97.040   42.411   95.376  162.067   83.941   20.427   95.820   40.183 -11.87950 45.07688 
1 1 1  -26    1   17 o  186.408   17.812  459.122   81.903  467.650   91.221  423.660  186.019  186.934   19.845  156.856   45.090 30.07825 49.26357 
1 1 1  -26    2    1 o  266.418   14.657  913.624   97.139  961.799  149.822  878.684  127.591  267.978   22.600  257.994   19.960 9.983521 30.15171 
1 1 1  -26    2    2 o  223.033   12.449  635.349   69.058  673.476   92.679  587.753  103.549  227.801   16.402  210.855   19.901 16.94659 25.78909 
1 1 1  -26    2    3 o  134.933   13.198  234.435   43.900  281.341   57.427  168.479   68.097  146.984   15.899  109.809   25.347 37.17448 29.92101 
1 1 1  -26    2    4 o  178.520   12.918  408.316   57.199  464.301   76.886  338.927   85.597  188.975   16.457  158.624   22.219 30.35104 27.64971 
1 1 1  -26    2    5 o  302.899   13.768  1173.06  104.137  1245.41  143.357  1092.22  151.527  308.579   18.692  286.982   21.296 21.59805 28.33541 
1 1 1  -26    2    6 o  140.145   18.192  259.185   62.166  260.341   67.069  252.135  165.641  139.808   19.761  126.727   43.435 13.08051 47.71928 
1 1 1  -26    2    7 o  105.795   19.082  150.097   48.559  131.739   50.835  341.479  164.134   98.208   21.338  146.349   42.437 -48.14043 47.49999 
1 1 1  -26    2    8 o  359.603   20.760  1709.04  185.629  1652.38  235.986  1800.99  300.637  346.494   27.500  352.618   34.587 -6.124420 44.18699 
1 1 1  -26    2    9 o   61.136   20.424   47.308   36.615   53.829   37.718 -59.2554  152.476   64.299   20.686   75.793   34.898 -11.49404 40.56856 
1 1 1  -26    2   10 f  212.027   18.223  589.789   95.548  627.917  110.602  477.624  189.700  217.379   20.622  171.616   44.044 45.76297 48.63245 
1 1 1  -26    2   11 o   63.607   20.336   52.867   36.497   59.592   37.584 -58.3051  152.818   66.881   20.533   75.735   34.896 -8.853783 40.48871 
1 1 1  -26    2   12 o  188.721   17.032  465.837   79.402  429.913   88.160  620.176  182.731  179.729   19.981  202.287   37.556 -22.55823 42.54078 
1 1 1  -26    2   13 o   94.969   20.088  122.968   46.151  140.212   48.304 -57.6777  156.340  101.695   19.733   76.333   35.216 25.36127 40.36742 
1 1 1  -26    2   14 o  143.444   17.670  272.009   61.956  261.834   66.223  343.411  175.424  139.882   19.488  143.071   44.433 -3.189651 48.51866 
1 1 1  -26    2   15 o  135.626   18.697  245.389   61.640  274.258   66.108   53.196  170.571  143.386   18.925   91.555   39.857 51.83125 44.12217 
1 1 1  -26    2   16 o  176.004   17.257  407.733   74.872  382.467   81.797  538.276  185.932  169.100   19.742  182.379   41.729 -13.27905 46.16363 
1 1 1  -26    2   17 o  187.954   17.403  465.549   80.756  441.486   88.971  578.090  192.412  181.520   19.958  188.384   41.975 -6.863480 46.47839 
1 1 1  -26    3    1 o  248.025   16.688  800.602  102.755  800.602  102.755   0.0000   0.0000  248.025   16.688  ?   ?  0.000000 16.68753 
1 1 1  -26    3    2 o   75.777   22.093   78.294   44.377   91.951   45.894 -118.0565  174.020   81.746   21.998   75.252   35.504 6.494263 41.76642 
1 1 1  -26    3    3 o  168.699   17.956  374.205   74.482  367.122   81.390  410.697  184.742  166.083   20.029  157.994   44.777 8.088654 49.05193 
1 1 1  -26    3    4 o  197.347   17.670  509.855   86.156  477.997   96.141  639.764  194.144  189.455   20.656  204.470   39.452 -15.01534 44.53255 
1 1 1  -26    3    5 o  218.262   17.204  621.343   93.007  534.330  104.456  954.292  204.329  200.091   21.229  257.976   32.434 -57.88518 38.76448 
1 1 1  -26    3    6 o  139.466   18.421  257.431   62.585  259.053   67.336  247.136  169.617  139.263   19.931  125.094   43.892 14.16957 48.20556 
1 1 1  -26    3    7 o  191.304   17.908  479.884   84.554  485.394   94.639  458.087  188.229  191.237   20.119  167.833   44.273 23.40424 48.62997 
1 1 1  -26    3    8 o  306.970   20.039  1243.77  152.771  1280.18  189.336  1175.83  258.619  307.013   24.911  280.107   37.950 26.90695 45.39567 
1 1 1  -26    3    9 o   93.018   20.142  117.797   45.431  107.789   47.289  237.660  163.651   88.520   21.587  122.941   43.115 -34.42046 48.21701 
1 1 1  -26    3   10 o   82.354   20.715   92.943   42.563  100.063   44.178   0.8645  158.864   85.410   20.887   83.744   37.364 1.666412 42.80604 
1 1 1  -26    3   11 o  126.656   19.547  214.937   59.834  250.868   63.855 -43.7167  171.323  137.186   19.163   81.336   37.280 55.85010 41.91711 
1 1 1  -26    3   12 o  100.264   19.371  135.990   46.745  131.206   48.692  192.227  166.962   98.022   20.549  113.480   42.949 -15.45811 47.61198 
1 1 1  -26    3   13 o  118.272   19.011  187.566   54.247  201.547   57.407   70.931  165.806  122.514   19.411   93.581   39.999 28.93262 44.46012 
1 1 1  -26    3   14 o   67.672   20.237   61.714   36.846   62.453   37.876   48.682  159.043   68.094   20.553   89.182   38.655 -21.08765 43.77909 
1 1 1  -26    3   15 o   86.205   20.295  102.111   42.966   97.782   44.459  163.347  167.202   84.125   21.178  107.453   42.347 -23.32850 47.34758 
1 1 1  -26    3   16 o  180.991   18.281  433.729   81.493  466.330   90.728  297.602  185.396  186.867   19.742  131.584   45.904 55.28256 49.96939 
1 1 1  -26    3   17 o  237.358   17.380  740.536  102.302  642.941  115.747  1088.95  218.697  218.205   21.522  271.915   32.875 -53.70941 39.29360 
1 1 1  -26    4    1 o  205.093   19.171  557.083   97.047  599.840  109.114  395.202  212.309  211.757   20.907  149.232   49.152 62.52469 53.41348 
1 1 1  -26    4    2 o  187.855   17.821  464.022   82.600  422.461   90.184  680.405  205.780  177.624   20.721  208.118   41.054 -30.49409 45.98663 
1 1 1  -26    4    3 o  182.417   18.472  439.089   82.988  437.942   91.102  444.682  201.158  181.072   20.509  161.402   47.032 19.66985 51.30907 
1 1 1  -26    4    4 o  138.189   18.600  253.619   62.554  237.160   66.606  376.674  182.125  132.593   20.800  150.295   45.002 -17.70229 49.57705 
1 1 1  -26    4    5 o   56.595   20.459   36.714   37.119   34.709   38.106   73.907  164.097   56.094   20.660   94.202   40.016 -38.10771 45.03473 
1 1 1  -26    4    6 o  166.383   17.671  363.932   72.296  336.164   78.377  522.335  187.199  158.620   20.249  181.080   42.182 -22.46001 46.79074 
1 1 1  -26    4    7 o  151.562   18.632  304.258   69.032  318.991   74.794  219.539  179.358  154.669   19.821  119.257   44.647 35.41228 48.84858 
1 1 1  -26    4    8 o  177.655   17.536  414.195   76.781  377.753   83.610  610.325  193.967  168.212   20.316  197.775   40.633 -29.56213 45.42900 
1 1 1  -26    4    9 o  202.667   18.431  540.762   92.259  567.372  104.330  445.315  197.594  206.385   20.515  162.363   46.410 44.02177 50.74223 
1 1 1  -26    4   10 o   91.705   19.946  114.643   44.376  104.421   46.003  251.574  168.368   87.080   21.325  125.028   43.738 -37.94752 48.65991 
1 1 1  -26    4   11 o  141.648   18.117  265.777   62.614  262.751   66.980  286.746  176.313  140.125   19.685  131.589   44.814 8.535522 48.94677 
1 1 1  -26    4   12 o  192.930   17.850  489.624   85.024  481.320   94.332  525.578  196.296  189.950   20.197  178.627   44.238 11.32256 48.63008 
1 1 1  -26    4   13 o  110.232   19.231  163.803   51.012  164.331   53.454  158.422  170.739  110.020   20.200  107.254   42.626 2.766731 47.17028 
1 1 1  -26    4   14 o   64.494   20.442   55.016   36.939   56.969   37.907   18.226  164.513   65.517   20.702   86.131   38.251 -20.61473 43.49429 
1 1 1  -26    4   15 o  170.704   17.716  384.683   74.418  376.024   80.951  431.934  189.100  167.704   19.705  158.933   45.392 8.771667 49.48471 
1 1 1  -26    4   16 o  103.135   19.396  144.428   48.119  143.408   49.985  157.335  177.799  102.417   20.262  106.691   43.120 -4.274147 47.64312 
1 1 1  -26    4   17 o  208.826   18.195  576.998   93.933  581.997  105.981  558.686  202.847  208.068   20.671  181.243   45.021 26.82510 49.53948 
1 1 1  -26    5    1 o  112.367   20.260  171.686   54.759  167.049   57.121  224.296  192.405  110.262   21.518  118.523   45.794 -8.260887 50.59707 
1 1 1  -26    5    2 o  244.836   18.399  790.142  111.672  722.695  127.548  1011.61  231.125  231.232   22.368  258.504   36.847 -27.27205 43.10484 
1 1 1  -26    5    3 o  255.486   18.438  859.603  116.844  768.400  133.679  1154.84  240.516  238.311   22.739  278.468   35.387 -40.15689 42.06261 
1 1 1  -26    5    4 o   69.322   21.858   64.264   42.276   57.529   43.499  178.997  179.538   66.625   22.261  111.348   43.882 -44.72337 49.20560 
1 1 1  -26    5    5 o   65.601   21.113   56.603   39.288   49.531   40.348  185.854  172.487   62.712   21.438  112.253   43.362 -49.54042 48.37191 
1 1 1  -26    5    6 o  122.834   19.570  202.771   58.015  199.842   61.218  228.592  181.757  121.320   20.965  120.186   44.954 1.134590 49.60234 
1 1 1  -26    5    7 f  107.461   20.068  156.609   51.873  155.546   54.348  167.486  173.884  106.658   21.152  109.333   43.154 -2.675148 48.05943 
1 1 1  -26    5    8 o  190.125   17.876  475.542   83.874  453.462   92.447  578.292  199.430  184.208   20.442  189.018   43.195 -4.809647 47.78763 
1 1 1  -26    5    9 o  182.037   18.701  438.378   83.802  457.315   92.199  348.385  200.991  185.072   20.282  141.611   47.849 43.46057 51.97041 
1 1 1  -26    5   10 o  135.093   18.292  242.540   60.121  231.660   63.830  328.080  178.972  131.169   20.130  139.500   45.080 -8.330505 49.36980 
1 1 1  -26    5   11 o  197.482   18.342  514.589   89.419  529.027  100.080  457.447  199.100  198.998   20.429  163.380   46.547 35.61801 50.83308 
1 1 1  -26    5   12 o  124.411   18.683  206.958   56.251  199.602   59.373  271.432  175.779  121.443   20.294  127.806   44.692 -6.362892 49.08337 
1 1 1  -26    5   13 o  109.991   19.399  163.479   51.336  160.985   53.687  190.096  175.414  108.662   20.538  112.536   43.656 -3.874084 48.24601 
1 1 1  -26    5   14 o   75.830   20.919   79.072   40.901   86.523   42.132 -42.8309  170.413   79.199   20.972   80.407   36.975 -1.207382 42.50843 
1 1 1  -26    5   15 o   99.454   19.712  134.810   47.227  124.753   48.944  270.679  179.891   95.057   21.163  126.586   45.123 -31.52950 49.83951 
1 1 1  -26    5   16 o  147.902   18.128  290.911   65.553  291.228   69.922  288.610  188.403  147.305   19.487  129.104   46.162 18.20084 50.10623 
1 1 1  -26    6    1 o  165.298   19.253  365.442   77.982  380.642   84.369  276.297  204.316  167.992   20.539  125.961   47.550 42.03131 51.79630 
1 1 1  -26    6    2 o  116.686   20.527  185.572   57.628  183.594   60.338  206.120  194.483  115.501   21.717  114.996   45.560 0.5052185 50.47072 
1 1 1  -26    6    3 o  166.879   18.316  369.482   75.073  331.715   80.659  614.120  205.288  156.506   21.183  192.796   43.655 -36.28976 48.52256 
1 1 1  -26    6    4 o  184.679   18.939  453.131   86.108  466.168   94.320  387.893  210.989  186.328   20.617  146.500   49.027 39.82823 53.18584 
1 1 1  -26    6    5 o   93.119   21.470  119.907   48.903  118.772   50.711  134.994  184.820   92.418   22.242  104.366   43.268 -11.94722 48.65005 
1 1 1  -26    6    6 o  149.208   18.195  295.419   66.392  261.367   70.318  575.011  201.494  138.943   20.915  186.625   43.960 -47.68259 48.68157 
1 1 1  -26    6    7 o  152.679   18.528  309.730   69.194  303.183   74.117  354.167  193.089  150.165   20.284  142.621   46.869 7.543854 51.07016 
1 1 1  -26    6    8 o  207.679   18.194  568.814   93.404  539.883  103.974  689.795  212.616  200.496   21.083  206.899   42.572 -6.403137 47.50603 
1 1 1  -26    6    9 o  109.071   20.746  162.404   54.440  183.791   57.135 -48.4296  179.390  116.342   20.410   81.858   37.750 34.48423 42.91409 
1 1 1  -26    6   10 o   86.365   20.908  102.877   44.610   87.277   45.976  353.846  184.409   79.429   22.277  143.514   45.695 -64.08440 50.83571 
1 1 1  -26    6   11 o   65.756   21.005   57.262   38.941   57.260   39.898   57.292  178.909   65.880   21.284   93.251   40.702 -27.37016 45.93070 
1 1 1  -26    6   12 f  108.527   19.369  159.332   50.566  145.328   52.582  331.605  184.420  102.814   21.185  138.639   45.817 -35.82508 50.47749 
1 1 1  -26    6   13 o   95.224   20.297  124.330   46.789  110.806   48.396  317.913  183.107   89.304   21.875  135.776   45.672 -46.47161 50.64023 
1 1 1  -26    6   14 o   96.470   20.419  127.753   47.657  133.859   49.463   48.698  177.977   98.680   20.732   91.648   40.283 7.031578 45.30462 
1 1 1  -26    6   15 o  174.590   17.865  403.385   76.792  382.484   82.837  531.135  204.793  168.754   20.049  175.267   46.154 -6.513290 50.32042 
1 1 1  -26    7    1 o   98.844   22.390  136.842   53.984  147.936   56.092  -2.5410  198.819  102.821   22.473   88.335   40.367 14.48536 46.20066 
1 1 1  -26    7    2 o   94.058   22.603  124.127   52.429  121.081   54.415  163.599  195.870   92.581   23.497  107.744   44.595 -15.16354 50.40688 
1 1 1  -26    7    3 o  105.660   21.171  153.960   53.912  150.762   56.037  193.751  197.685  104.069   22.237  112.527   45.471 -8.457718 50.61762 
1 1 1  -26    7    4 o  197.468   18.360  517.043   89.500  483.029   98.277  682.374  216.669  189.024   21.184  202.147   44.158 -13.12256 48.97631 
1 1 1  -26    7    5 o  167.773   18.502  374.335   76.226  351.417   81.898  522.795  208.446  161.219   20.830  172.573   47.068 -11.35391 51.47101 
1 1 1  -26    7    6 o  120.319   20.608  197.169   59.692  204.692   62.666  123.493  196.104  122.315   21.290  103.250   43.797 19.06503 48.69684 
1 1 1  -26    7    7 o  220.875   18.763  646.615  102.508  613.132  113.710  791.886  236.848  213.014   21.679  217.980   45.003 -4.965195 49.95201 
1 1 1  -26    7    8 o  100.251   21.303  138.666   51.687  136.788   53.696  162.375  190.766   99.193   22.228  108.373   44.341 -9.179733 49.60040 
1 1 1  -26    7    9 o   77.547   21.873   83.145   44.191   87.740   45.507   7.1128  185.123   79.535   22.112   88.129   39.745 -8.593544 45.48172 
1 1 1  -26    7   10 o  175.687   17.762  407.840   76.856  362.377   82.697  695.987  208.193  163.953   20.657  208.142   41.511 -44.18942 46.36649 
1 1 1  -26    7   11 o   77.422   21.504   82.840   43.058   74.784   44.236  228.089  187.831   73.864   22.193  118.577   45.392 -44.71311 50.52689 
1 1 1  -26    7   12 o   57.581   20.310   40.116   36.354   39.285   37.079   60.736  184.716   57.428   20.485   94.003   41.185 -36.57544 45.99774 
1 1 1  -26    7   13 o  102.824   20.758  145.256   51.464  160.492   53.458 -47.6304  190.206  108.316   20.515   83.426   38.612 24.89016 43.72357 
1 1 1  -26    7   14 f   68.461   21.324   63.258   40.368   68.200   41.374 -34.7331  184.231   70.747   21.509   83.375   38.379 -12.62827 43.99527 
1 1 1  -26    8    1 o  117.652   20.919  190.805   59.207  185.098   61.803  254.486  206.446  115.131   22.302  119.656   47.087 -4.524811 52.10181 
1 1 1  -26    8    2 f   88.769   22.856  111.361   50.970  125.273   52.689 -91.4118  201.154   94.251   22.665   80.576   38.063 13.67474 44.30011 
1 1 1  -26    8    3 f   90.374   22.600  115.021   50.871  111.207   52.577  170.953  201.318   88.620   23.409  108.345   45.058 -19.72449 50.77562 
1 1 1  -26    8    4 o   80.169   22.531   89.955   46.978   81.471   48.361  231.997  197.880   76.576   23.249  117.560   46.152 -40.98375 51.67704 
1 1 1  -26    8    5 f  138.408   19.769  258.932   66.386  260.869   70.230  242.680  203.447  138.285   20.998  119.566   46.839 18.71925 51.33030 
1 1 1  -26    8    6 f  121.386   20.985  201.814   61.309  231.308   64.470 -76.9751  198.212  130.390   20.475   81.900   38.404 48.48997 43.52137 
1 1 1  -26    8    7 o  112.575   20.903  173.940   56.598  175.960   58.979  150.424  201.243  112.863   21.715  106.544   44.734 6.319008 49.72553 
1 1 1  -26    8    8 o   98.984   21.906  136.308   52.715  144.904   54.663   22.135  199.213  102.045   22.092   91.362   41.214 10.68280 46.76107 
1 1 1  -26    8    9 o  107.155   20.463  157.305   52.759  139.736   54.758  384.871  197.074  100.027   22.470  146.150   47.312 -46.12318 52.37730 
1 1 1  -26    8   10 o  120.239   20.022  196.392   58.002  186.187   60.671  304.791  197.744  116.218   21.704  130.889   47.236 -14.67094 51.98379 
1 1 1  -26    8   11 o  117.597   19.732  187.638   55.893  180.573   58.268  269.045  197.782  114.677   21.125  124.583   46.836 -9.905403 51.37978 
1 1 1  -26    8   12 o  106.072   20.268  154.033   51.729  143.480   53.608  296.706  197.111  101.657   21.773  129.323   47.085 -27.66580 51.87598 
1 1 1  -26    8   13 o  139.862   20.183  264.872   68.451  264.872   68.451   0.0000   0.0000  139.862   20.183  ?   ?  0.000000 20.18295 
1 1 1  -26    9    4 o   98.007   23.190  136.186   55.869  136.186   55.869   0.0000   0.0000   98.007   23.190  ?   ?  0.000000 23.18951 
1 1 1  -26    9    5 o  109.512   22.310  167.699   58.939  167.699   58.939   0.0000   0.0000  109.512   22.310  ?   ?  0.000000 22.30954 
1 1 1  -26    9    6 o   50.520   20.324   19.460   39.299   19.460   39.299   0.0000   0.0000   50.520   20.324  ?   ?  0.000000 20.32356 
1 1 1  -26    9    7 o   51.150   20.356   21.644   38.986   21.644   38.986   0.0000   0.0000   51.150   20.356  ?   ?  0.000000 20.35606 
1 1 1  -26    9    8 o  143.523   20.675  280.485   71.961  280.485   71.961   0.0000   0.0000  143.523   20.675  ?   ?  0.000000 20.67480 
1 1 1  -26    9    9 o  122.067   21.403  205.177   62.861  205.177   62.861   0.0000   0.0000  122.067   21.403  ?   ?  0.000000 21.40252 
1 1 1  -25  -27    1 o   71.728   31.577   77.914  109.743   0.0000   0.0000   77.914  109.743  ?   ?    71.728   31.577 0.000000 31.57710 
1 1 1  -25  -27    2 f   56.554   26.928 -30.8661  104.611   0.0000   0.0000 -30.8661  104.611  ?   ?    56.554   26.928 0.000000 26.92836 
1 1 1  -25  -26    1 o   64.463   29.513   14.877  106.956   0.0000   0.0000   14.877  106.956  ?   ?    64.463   29.513 0.000000 29.51342 
1 1 1  -25  -26    2 f   87.168   35.320  158.275  119.627   0.0000   0.0000  158.275  119.627  ?   ?    87.168   35.320 0.000000 35.32038 
1 1 1  -25  -26    3 o   88.777   35.815  175.534  122.416   0.0000   0.0000  175.534  122.416  ?   ?    88.777   35.815 0.000000 35.81467 
1 1 1  -25  -26    4 o   87.435   34.821  171.290  114.150   0.0000   0.0000  171.290  114.150  ?   ?    87.435   34.821 0.000000 34.82079 
1 1 1  -25  -25    1 o  120.758   38.026  294.272  127.981   0.0000   0.0000  294.272  127.981  ?   ?   120.758   38.026 0.000000 38.02572 
1 1 1  -25  -25    2 o  100.427   36.911  208.070  121.538   0.0000   0.0000  208.070  121.538  ?   ?   100.427   36.911 0.000000 36.91084 
1 1 1  -25  -25    3 o  130.488   38.812  358.776  135.799   0.0000   0.0000  358.776  135.799  ?   ?   130.488   38.812 0.000000 38.81184 
1 1 1  -25  -25    4 o   64.186   29.527   13.381  108.807   0.0000   0.0000   13.381  108.807  ?   ?    64.186   29.527 0.000000 29.52669 
1 1 1  -25  -24    1 o  120.972   17.116  202.070   50.264  250.916  205.534  198.962   51.838  104.024   44.500  119.493   17.925 -15.46941 47.97443 
1 1 1  -25  -24    2 o   76.021   32.883   68.903  114.625   0.0000   0.0000   68.903  114.625  ?   ?    76.021   32.883 0.000000 32.88324 
1 1 1  -25  -24    3 o  240.076   34.006  1003.30  198.169   0.0000   0.0000  1003.30  198.169  ?   ?   240.076   34.006 0.000000 34.00586 
1 1 1  -25  -24    4 o  109.305   37.776  247.939  125.409   0.0000   0.0000  247.939  125.409  ?   ?   109.305   37.776 0.000000 37.77566 
1 1 1  -25  -24    5 f   68.705   30.800   39.727  109.323   0.0000   0.0000   39.727  109.323  ?   ?    68.705   30.800 0.000000 30.80029 
1 1 1  -25  -23    1 o   82.858   19.726   98.191   40.228 -118.4206  188.471  108.531   41.177   71.109   34.438   87.376   19.379 -16.26673 39.51621 
1 1 1  -25  -23    2 o   76.763   20.147   85.130   39.108  142.539  200.881   82.868   39.871   93.561   41.861   75.589   20.573 17.97169 46.64261 
1 1 1  -25  -23    3 o  195.988   35.250  662.391  166.177   0.0000   0.0000  662.391  166.177  ?   ?   195.988   35.250 0.000000 35.24986 
1 1 1  -25  -23    4 o   73.868   32.455   52.945  115.428   0.0000   0.0000   52.945  115.428  ?   ?    73.868   32.455 0.000000 32.45499 
1 1 1  -25  -23    5 o   87.248   35.456  134.853  120.939   0.0000   0.0000  134.853  120.939  ?   ?    87.248   35.456 0.000000 35.45618 
1 1 1  -25  -23    6 o   66.974   29.977   28.878  103.131   0.0000   0.0000   28.878  103.131  ?   ?    66.974   29.977 0.000000 29.97746 
1 1 1  -25  -22    1 o  122.690   17.188  204.834   51.217  100.909  190.219  212.957   53.181   91.657   40.891  124.937   17.528 -33.27953 44.48961 
1 1 1  -25  -22    2 o   95.306   18.484  126.723   42.404  321.765  196.668  117.214   43.425  120.784   46.397   90.969   19.687 29.81523 50.40156 
1 1 1  -25  -22    3 o  177.040   15.454  419.289   67.636  438.402  211.361  417.109   71.390  136.327   48.878  175.808   16.452 -39.48061 51.57224 
1 1 1  -25  -22    4 o   73.828   32.335   45.242  113.779   0.0000   0.0000   45.242  113.779  ?   ?    73.828   32.335 0.000000 32.33496 
1 1 1  -25  -22    5 o   62.080   29.136 -42.9324  114.517   0.0000   0.0000 -42.9324  114.517  ?   ?    62.080   29.136 0.000000 29.13647 
1 1 1  -25  -22    6 o  110.559   36.430  231.665  116.626   0.0000   0.0000  231.665  116.626  ?   ?   110.559   36.430 0.000000 36.43014 
1 1 1  -25  -22    7 o  110.837   37.003  241.562  120.182   0.0000   0.0000  241.562  120.182  ?   ?   110.837   37.003 0.000000 37.00283 
1 1 1  -25  -21    1 o  136.234   16.831  249.702   56.041  312.608  194.496  244.007   58.523  123.604   46.450  134.019   17.937 -10.41505 49.79240 
1 1 1  -25  -21    2 o  119.816   17.429  195.218   50.620  138.105  183.803  199.905   52.656   96.775   41.750  120.963   17.979 -24.18811 45.45692 
1 1 1  -25  -21    3 o  105.622   18.011  153.589   45.802  198.788  181.872  150.528   47.327  104.192   43.036  104.067   18.908 0.1244583 47.00665 
1 1 1  -25  -21    4 f   87.306   32.914  117.704   97.813  189.210  179.393   87.452  116.684  101.811   42.453   82.493   34.304 19.31815 54.58070 
1 1 1  -25  -21    5 o   76.066   32.407   60.456  108.205   0.0000   0.0000   60.456  108.205  ?   ?    76.066   32.407 0.000000 32.40726 
1 1 1  -25  -21    6 o  129.390   37.792  308.249  129.751   0.0000   0.0000  308.249  129.751  ?   ?   129.390   37.792 0.000000 37.79249 
1 1 1  -25  -21    7 o  126.047   37.363  296.217  126.008   0.0000   0.0000  296.217  126.008  ?   ?   126.047   37.363 0.000000 37.36272 
1 1 1  -25  -21    8 f  119.873   37.541  276.786  124.929   0.0000   0.0000  276.786  124.929  ?   ?   119.873   37.541 0.000000 37.54077 
1 1 1  -25  -20    1 o   38.831   16.731   0.3022   29.440   2.8282  175.250   0.2289   29.864   82.468   37.765   39.068   16.842 43.39917 41.35009 
1 1 1  -25  -20    2 o  151.356   15.963  304.592   59.424  322.366  189.941  302.664   62.564  127.470   46.250  150.292   16.967 -22.82123 49.26410 
1 1 1  -25  -20    3 o  162.204   15.545  349.014   62.192  434.054  188.198  338.589   65.895  148.570   46.003  158.936   16.860 -10.36577 48.99515 
1 1 1  -25  -20    4 o   81.279   19.759   93.219   39.714 -16.0954  174.348   99.201   40.786   78.980   36.698   83.868   19.793 -4.888321 41.69535 
1 1 1  -25  -20    5 f  115.886   37.131  235.702  121.620   0.0000   0.0000  235.702  121.620  ?   ?   115.886   37.131 0.000000 37.13111 
1 1 1  -25  -20    6 o  103.302   36.762  186.655  119.354   0.0000   0.0000  186.655  119.354  ?   ?   103.302   36.762 0.000000 36.76213 
1 1 1  -25  -20    7 o  153.993   37.028  414.701  140.639   0.0000   0.0000  414.701  140.639  ?   ?   153.993   37.028 0.000000 37.02764 
1 1 1  -25  -20    8 f   92.598   35.920  146.460  118.749   0.0000   0.0000  146.460  118.749  ?   ?    92.598   35.920 0.000000 35.92012 
1 1 1  -25  -20    9 o   52.972   25.709 -115.5602  106.510   0.0000   0.0000 -115.5602  106.510  ?   ?    52.972   25.709 0.000000 25.70935 
1 1 1  -25  -19    1 o  111.551   20.067  171.212   53.845 -21.7335  171.412  192.336   56.716   80.483   37.037  118.478   19.873 -37.99504 42.03218 
1 1 1  -25  -19    2 o  127.494   16.336  216.529   50.814  306.054  165.169  207.169   53.404  129.911   43.379  123.986   17.756 5.925423 46.87208 
1 1 1  -25  -19    3 o  226.786   14.786  673.537   83.280  710.963  203.148  665.977   91.305  204.414   41.220  224.304   16.415 -19.88974 44.36804 
1 1 1  -25  -19    4 o  140.232   15.802  261.376   54.371  481.828  180.367  239.342   57.023  162.695   43.538  133.190   17.574 29.50468 46.95076 
1 1 1  -25  -19    5 o   79.141   18.983   87.514   37.034  -5.5779  170.919   92.099   37.935   80.053   36.893   81.194   19.040 -1.141029 41.51605 
1 1 1  -25  -19    6 o  125.001   37.146  269.798  124.433   0.0000   0.0000  269.798  124.433  ?   ?   125.001   37.146 0.000000 37.14584 
1 1 1  -25  -19    7 o  103.240   36.649  182.847  118.548   0.0000   0.0000  182.847  118.548  ?   ?   103.240   36.649 0.000000 36.64870 
1 1 1  -25  -19    8 o  121.884   37.752  266.969  126.733   0.0000   0.0000  266.969  126.733  ?   ?   121.884   37.752 0.000000 37.75222 
1 1 1  -25  -19    9 o  165.726   36.095  470.912  145.148   0.0000   0.0000  470.912  145.148  ?   ?   165.726   36.095 0.000000 36.09483 
1 1 1  -25  -19   10 o   76.026   32.770   60.663  113.038   0.0000   0.0000   60.663  113.038  ?   ?    76.026   32.770 0.000000 32.77025 
1 1 1  -25  -18    1 o   59.559   20.622   44.521   37.382  111.737  165.943   40.927   38.369   97.124   40.692   58.280   20.832 38.84388 45.71444 
1 1 1  -25  -18    2 o   70.660   20.674   68.811   38.800  131.988  152.919   64.464   40.113   98.492   39.925   68.712   21.232 29.77964 45.21970 
1 1 1  -25  -18    3 o   74.471   19.879   76.983   37.660 -26.2972  156.003   83.374   38.808   77.204   35.456   77.439   19.946 -0.2350845 40.68135 
1 1 1  -25  -18    4 o  179.811   14.807  423.488   65.896  308.565  177.224  441.926   70.986  129.116   44.890  183.202   15.667 -54.08591 47.54569 
1 1 1  -25  -18    5 o   98.062   18.206  131.510   42.942  170.589  170.741  128.872   44.369  103.720   42.137   96.673   19.056 7.046455 46.24566 
1 1 1  -25  -18    6 o   56.996   19.471   41.807   33.286   44.648  161.261   41.681   34.018   84.620   37.708   57.093   19.678 27.52672 42.53398 
1 1 1  -25  -18    7 o   81.658   33.769   77.223  112.165   0.0000   0.0000   77.223  112.165  ?   ?    81.658   33.769 0.000000 33.76852 
1 1 1  -25  -18    8 o  155.152   36.252  402.009  137.925   0.0000   0.0000  402.009  137.925  ?   ?   155.152   36.252 0.000000 36.25189 
1 1 1  -25  -18    9 o  208.073   33.792  696.366  169.559   0.0000   0.0000  696.366  169.559  ?   ?   208.073   33.792 0.000000 33.79232 
1 1 1  -25  -18   10 o   77.697   33.221   62.190  114.448   0.0000   0.0000   62.190  114.448  ?   ?    77.697   33.221 0.000000 33.22116 
1 1 1  -25  -18   11 o   81.722   34.434   86.422  119.934   0.0000   0.0000   86.422  119.934  ?   ?    81.722   34.434 0.000000 34.43435 
1 1 1  -25  -17    1 f   83.303   19.444   95.130   39.712  258.703  161.103   84.548   40.977  124.842   42.834   78.276   20.661 46.56635 47.55661 
1 1 1  -25  -17    2 o  148.652   17.984  293.996   65.402  274.720  166.244  297.526   71.138  127.146   43.515  148.701   19.638 -21.55482 47.74057 
1 1 1  -25  -17    3 o  231.022   14.699  693.464   84.356  810.316  196.315  667.003   93.420  230.432   35.236  225.269   16.726 5.162308 39.00425 
1 1 1  -25  -17    4 f  116.022   16.713  179.464   47.026  130.013  156.429  184.377   49.306   98.588   40.224  117.349   17.349 -18.76160 43.80540 
1 1 1  -25  -17    5 o   54.813   19.080   37.160   32.021 -98.3869  153.845   43.299   32.738   69.845   33.082   57.867   19.313 11.97799 38.30659 
1 1 1  -25  -17    6 o  122.257   16.470  199.444   49.003  234.503  169.051  196.228   51.202  115.536   43.327  120.776   17.486 -5.239922 46.72218 
1 1 1  -25  -17    7 o   92.193   18.208  116.599   40.433  364.682  170.844  101.879   41.615  140.628   43.878   85.400   19.885 55.22729 48.17345 
1 1 1  -25  -17    8 o  251.854   32.073  972.561  197.138   0.0000   0.0000  972.561  197.138  ?   ?   251.854   32.073 0.000000 32.07296 
1 1 1  -25  -17    9 o  198.952   33.650  625.406  161.220   0.0000   0.0000  625.406  161.220  ?   ?   198.952   33.650 0.000000 33.65044 
1 1 1  -25  -17   10 o  120.462   38.105  256.282  128.399   0.0000   0.0000  256.282  128.399  ?   ?   120.462   38.105 0.000000 38.10509 
1 1 1  -25  -17   11 o   95.475   36.436  150.428  120.795   0.0000   0.0000  150.428  120.795  ?   ?    95.475   36.436 0.000000 36.43639 
1 1 1  -25  -16    1 o   81.763   20.113   91.599   40.784  167.650  144.312   84.997   42.518  107.421   40.081   78.630   21.179 28.79132 45.33253 
1 1 1  -25  -16    2 f  254.092   17.844  847.987  112.503  978.776  206.848  793.044  134.067  258.965   32.716  242.287   22.412 16.67764 39.65661 
1 1 1  -25  -16    3 o  132.533   18.346  234.404   59.090  208.855  157.735  238.575   63.731  114.943   42.079  133.055   19.783 -18.11242 46.49763 
1 1 1  -25  -16    4 o  222.884   13.883  641.975   76.889  780.766  189.784  614.721   84.100  227.906   34.419  217.116   15.616 10.78983 37.79596 
1 1 1  -25  -16    5 o  106.529   17.679  152.542   45.381  169.023  155.549  151.009   47.445  105.915   41.104  105.563   18.682 0.3518372 45.15020 
1 1 1  -25  -16    6 o  122.678   16.215  199.634   48.456  459.227  167.892  176.045   50.610  166.021   40.789  114.155   18.377 51.86610 44.73826 
1 1 1  -25  -16    7 o  262.328   14.808  897.229   96.609  1063.13  222.172  858.544  107.283  262.695   34.718  254.935   16.948 7.759964 38.63449 
1 1 1  -25  -16    8 o  161.404   36.555  420.527  143.916   0.0000   0.0000  420.527  143.916  ?   ?   161.404   36.555 0.000000 36.55483 
1 1 1  -25  -16    9 o  167.975   36.502  458.267  148.739   0.0000   0.0000  458.267  148.739  ?   ?   167.975   36.502 0.000000 36.50221 
1 1 1  -25  -16   10 o  137.091   37.769  319.609  133.431   0.0000   0.0000  319.609  133.431  ?   ?   137.091   37.769 0.000000 37.76913 
1 1 1  -25  -16   11 o  107.000   37.879  196.810  126.557   0.0000   0.0000  196.810  126.557  ?   ?   107.000   37.879 0.000000 37.87899 
1 1 1  -25  -16   12 o  106.975   38.004  201.228  127.505   0.0000   0.0000  201.228  127.505  ?   ?   106.975   38.004 0.000000 38.00436 
1 1 1  -25  -15    1 o  145.483   15.460  275.321   55.306  426.803  155.434  253.363   59.179  167.208   38.078  138.734   17.469 28.47375 41.89351 
1 1 1  -25  -15    2 o  358.237   16.306  1660.57  145.868  1700.77  279.226  1645.48  171.066  343.581   32.948  353.549   19.451 -9.967529 38.26131 
1 1 1  -25  -15    3 o   75.443   21.025   77.896   41.090 -141.2773  144.212   97.262   42.867   65.440   31.285   84.176   20.568 -18.73637 37.44064 
1 1 1  -25  -15    4 o   84.996   19.649   98.825   40.871   3.6677  150.309  106.422   42.471   81.533   36.364   88.216   19.769 -6.683434 41.39006 
1 1 1  -25  -15    5 o  143.011   16.451  269.156   57.681  245.835  167.261  272.304   61.450  122.113   43.512  143.370   17.529 -21.25742 46.91048 
1 1 1  -25  -15    6 o  117.200   16.823  182.548   47.825  364.014  161.821  165.180   50.062  147.420   41.951  110.574   18.803 36.84571 45.97248 
1 1 1  -25  -15    7 o  290.635   15.314  1100.08  110.755  997.668  232.989  1129.98  125.888  251.798   38.258  292.927   17.286 -41.12860 41.98177 
1 1 1  -25  -15    8 o  277.475   15.171  1004.20  104.724  880.096  227.750  1037.48  117.931  231.813   40.835  280.611   16.909 -48.79759 44.19717 
1 1 1  -25  -15    9 o   85.112   34.575   85.102  114.947   0.0000   0.0000   85.102  114.947  ?   ?    85.112   34.575 0.000000 34.57491 
1 1 1  -25  -15   10 f  201.011   33.651  625.538  162.944   0.0000   0.0000  625.538  162.944  ?   ?   201.011   33.651 0.000000 33.65085 
1 1 1  -25  -15   11 o   89.229   35.609  108.970  119.600   0.0000   0.0000  108.970  119.600  ?   ?    89.229   35.609 0.000000 35.60855 
1 1 1  -25  -15   13 o  115.229   38.977  237.294  133.363   0.0000   0.0000  237.294  133.363  ?   ?   115.229   38.977 0.000000 38.97663 
1 1 1  -25  -14    1 o  110.672   18.304  162.797   48.817  271.369  150.652  150.060   51.601  132.217   41.195  105.456   20.332 26.76147 45.93941 
1 1 1  -25  -14    2 f  167.281   15.073  361.988   62.290  448.271  160.042  346.584   67.622  171.967   38.256  162.949   16.862 9.017899 41.80711 
1 1 1  -25  -14    3 o  120.078   19.207  192.652   55.653   71.375  145.710  213.366   60.218   91.272   38.177  126.273   19.744 -35.00075 42.97983 
1 1 1  -25  -14    4 o  115.737   18.277  178.486   51.069  355.865  155.548  157.056   54.066  149.879   40.568  107.422   20.907 42.45683 45.63895 
1 1 1  -25  -14    5 o  109.147   18.055  159.181   47.491 -17.3714  147.667  179.550   50.156   78.705   35.495  116.133   17.868 -37.42807 39.73890 
1 1 1  -25  -14    6 o  176.142   14.637  402.342   63.801  500.736  172.400  386.729   68.677  177.947   39.794  171.964   16.183 5.982574 42.95908 
1 1 1  -25  -14    7 o  226.270   14.466  662.881   81.312  677.069  191.941  659.778   89.764  208.493   38.276  224.792   16.097 -16.29802 41.52356 
1 1 1  -25  -14    8 o  240.718   14.281  750.542   85.464  1075.82  207.131  683.802   93.823  271.427   31.121  228.313   16.569 43.11395 35.25733 
1 1 1  -25  -14    9 o  125.268   16.765  208.684   51.128  144.185  167.177  215.339   53.701  101.909   41.581  126.993   17.391 -25.08488 45.07109 
1 1 1  -25  -14   10 o  122.993   38.088  249.867  129.004   0.0000   0.0000  249.867  129.004  ?   ?   122.993   38.088 0.000000 38.08790 
1 1 1  -25  -14   12 o  113.883   38.548  220.017  130.448   0.0000   0.0000  220.017  130.448  ?   ?   113.883   38.548 0.000000 38.54816 
1 1 1  -25  -14   13 o  162.486   38.422  445.514  153.451   0.0000   0.0000  445.514  153.451  ?   ?   162.486   38.422 0.000000 38.42249 
1 1 1  -25  -14   14 o   89.234   36.001  112.454  123.700   0.0000   0.0000  112.454  123.700  ?   ?    89.234   36.001 0.000000 36.00091 
1 1 1  -25  -13    1 o  106.052   18.889  149.911   48.189   96.562  140.222  157.055   51.315   95.834   38.447  108.332   19.694 -12.49763 43.19765 
1 1 1  -25  -13    2 o  205.756   14.118  543.195   72.099  776.409  174.526  495.203   79.171  235.758   30.349  195.509   16.367 40.24951 34.48092 
1 1 1  -25  -13    3 o  163.486   15.111  345.559   60.995  453.658  161.936  327.687   65.844  173.408   38.408  158.492   16.897 14.91512 41.96071 
1 1 1  -25  -13    4 o  110.576   18.700  163.145   49.796  302.068  144.941  144.553   53.023  139.588   39.696  103.029   21.312 36.55846 45.05554 
1 1 1  -25  -13    5 o  106.746   17.728  151.574   45.599 -23.4588  142.475  171.549   48.131   77.322   34.869  113.787   17.499 -36.46539 39.01402 
1 1 1  -25  -13    6 o  141.456   15.755  261.248   54.707  315.245  159.930  254.092   58.219  139.568   42.257  138.937   17.144 0.6303711 45.60267 
1 1 1  -25  -13    7 o  121.765   16.507  195.516   48.898  180.579  158.619  197.084   51.402  110.464   41.849  121.923   17.374 -11.45876 45.31237 
1 1 1  -25  -13    8 o  143.178   15.833  268.666   55.661  214.160  166.636  275.511   59.053  116.195   43.126  144.656   16.652 -28.46116 46.22875 
1 1 1  -25  -13    9 o  120.979   16.836  194.269   49.485  260.998  163.921  187.578   51.907  124.576   43.180  118.291   18.152 6.284714 46.84057 
1 1 1  -25  -13   10 o   98.150   36.781  139.642  121.789   0.0000   0.0000  139.642  121.789  ?   ?    98.150   36.781 0.000000 36.78120 
1 1 1  -25  -13   11 o  120.256   38.336  237.811  129.767   0.0000   0.0000  237.811  129.767  ?   ?   120.256   38.336 0.000000 38.33603 
1 1 1  -25  -13   12 o   74.176   32.536   20.653  115.582   0.0000   0.0000   20.653  115.582  ?   ?    74.176   32.536 0.000000 32.53615 
1 1 1  -25  -13   13 o   78.769   33.918   46.044  120.841   0.0000   0.0000   46.044  120.841  ?   ?    78.769   33.918 0.000000 33.91768 
1 1 1  -25  -13   14 o  133.516   39.198  308.746  139.261   0.0000   0.0000  308.746  139.261  ?   ?   133.516   39.198 0.000000 39.19753 
1 1 1  -25  -12    1 o  183.326   11.376  426.925   51.820  446.267   72.156  406.323   74.469  186.049   15.677  176.955   17.064 9.093933 23.17196 
1 1 1  -25  -12    2 o  376.066   15.966  1814.69  149.933  1946.30  282.437  1763.06  176.920  375.590   30.373  367.941   19.323 7.649109 35.99868 
1 1 1  -25  -12    3 o   87.294   20.003  103.071   42.670  358.237  145.110   78.920   44.643  154.726   37.865   76.457   22.121 78.26896 43.85291 
1 1 1  -25  -12    4 o  143.249   17.070  268.232   59.860  641.198  161.345  208.701   64.460  213.344   31.208  124.465   21.518 88.87940 37.90683 
1 1 1  -25  -12    5 o   74.978   20.911   76.202   40.630   71.431  137.516   76.658   42.528   90.380   37.384   75.220   21.541 15.15933 43.14599 
1 1 1  -25  -12    6 o   52.345   19.187   29.871   32.808  133.583  140.250   23.867   33.744  101.614   39.143   50.217   19.236 51.39699 43.61426 
1 1 1  -25  -12    7 o  183.975   15.073  438.172   68.640  414.674  169.869  442.758   75.039  161.241   41.830  184.312   16.477 -23.07092 44.95869 
1 1 1  -25  -12    8 o   92.762   18.730  116.343   41.893  336.138  156.349   99.342   43.483  144.408   41.285   85.048   20.675 59.36042 46.17282 
1 1 1  -25  -12    9 o   54.991   19.516   35.788   33.614  164.755  170.628   30.581   34.286  107.910   42.699   52.960   19.580 54.94966 46.97423 
1 1 1  -25  -12   10 o  114.069   18.882  175.416   51.905  407.806  170.896  151.800   54.479  156.220   42.622  104.840   21.530 51.37914 47.75140 
1 1 1  -25  -12   11 o   80.745   34.048   52.597  117.394   0.0000   0.0000   52.597  117.394  ?   ?    80.745   34.048 0.000000 34.04758 
1 1 1  -25  -12   12 o  273.717   32.400  1117.40  217.165   0.0000   0.0000  1117.40  217.165  ?   ?   273.717   32.400 0.000000 32.40017 
1 1 1  -25  -12   13 o  108.942   38.188  192.356  128.382   0.0000   0.0000  192.356  128.382  ?   ?   108.942   38.188 0.000000 38.18829 
1 1 1  -25  -12   14 o  193.930   35.747  595.067  166.735   0.0000   0.0000  595.067  166.735  ?   ?   193.930   35.747 0.000000 35.74655 
1 1 1  -25  -12   15 o  196.211   35.729  614.974  168.614   0.0000   0.0000  614.974  168.614  ?   ?   196.211   35.729 0.000000 35.72922 
1 1 1  -25  -11    1 o  147.109   12.023  275.839   43.780  333.621   60.426  211.994   63.518  160.950   15.215  126.130   20.898 34.82005 25.84975 
1 1 1  -25  -11    2 o  163.823   12.086  341.858   49.093  358.612   68.370  324.025   70.538  166.364   16.682  157.484   18.276 8.879959 24.74468 
1 1 1  -25  -11    3 o  104.869   12.982  141.753   33.269  151.109   44.611  130.028   49.939  107.118   17.264   98.089   21.020 9.028603 27.20083 
1 1 1  -25  -11    4 o  217.582   13.950  605.969   75.396  948.735  176.672  529.644   83.368  264.158   27.170  202.298   16.651 61.85997 31.86622 
1 1 1  -25  -11    5 o  130.132   18.291  223.213   57.799  434.754  153.454  188.241   62.394  171.422   36.937  117.957   21.991 53.46424 42.98798 
1 1 1  -25  -11    6 o  343.943   14.883  1515.99  127.830  1856.23  254.364  1401.03  147.857  368.151   27.875  328.186   18.112 39.96429 33.24205 
1 1 1  -25  -11    7 f   65.440   20.187   56.550   36.279 -11.8999  139.296   61.531   37.575   78.299   34.958   67.931   20.464 10.36800 40.50689 
1 1 1  -25  -11    8 o  140.990   16.518  260.225   57.056   0.0000   0.0000  260.225   57.056  ?   ?   140.990   16.518 0.000000 16.51850 
1 1 1  -25  -11    9 o   80.029   35.724  -3.6926  145.405  -3.6926  145.405   0.0000   0.0000   80.029   35.724  ?   ?  0.000000 35.72399 
1 1 1  -25  -11   10 o  123.326   17.097  201.342   51.238  377.091  165.750  182.773   53.877  151.677   42.213  116.570   19.175 35.10701 46.36360 
1 1 1  -25  -11   11 o   91.650   33.153  116.098   97.491   87.065  162.367  132.467  121.914   94.348   39.927   97.571   36.754 -3.222694 54.26765 
1 1 1  -25  -11   12 o  233.405   32.472  806.475  184.135   0.0000   0.0000  806.475  184.135  ?   ?   233.405   32.472 0.000000 32.47151 
1 1 1  -25  -11   13 o  199.500   34.583  608.635  166.046   0.0000   0.0000  608.635  166.046  ?   ?   199.500   34.583 0.000000 34.58337 
1 1 1  -25  -11   14 o  125.159   39.517  263.378  138.142   0.0000   0.0000  263.378  138.142  ?   ?   125.159   39.517 0.000000 39.51725 
1 1 1  -25  -11   15 o  117.944   39.421  235.844  136.406   0.0000   0.0000  235.844  136.406  ?   ?   117.944   39.421 0.000000 39.42106 
1 1 1  -25  -11   16 o   90.180   36.624  107.558  128.939   0.0000   0.0000  107.558  128.939  ?   ?    90.180   36.624 0.000000 36.62441 
1 1 1  -25  -10    1 o  158.462   11.825  319.369   46.454  362.709   64.269  271.952   67.224  167.871   15.506  143.966   19.176 23.90463 24.66070 
1 1 1  -25  -10    2 o  151.896   11.919  293.764   44.849  330.239   61.486  252.294   65.562  160.055   15.581  138.415   19.509 21.64027 24.96742 
1 1 1  -25  -10    3 o  278.903   12.161  985.559   84.698  982.453  119.606  988.684  119.956  275.849   17.453  276.729   17.448 -0.8799133 24.67887 
1 1 1  -25  -10    4 o  113.233   12.689  164.665   35.263  173.302   47.477  154.039   52.664  114.973   17.053  107.208   20.417 7.764641 26.60199 
1 1 1  -25  -10    5 o  131.827   18.862  229.200   60.324  234.724  143.497  228.014   66.484  125.419   40.348  130.643   21.098 -5.224342 45.53131 
1 1 1  -25  -10    6 o  182.023   15.754  428.031   70.903  270.153  159.899  466.671   79.105  132.523   42.587  189.658   16.879 -57.13530 45.81028 
1 1 1  -25  -10    7 o   86.849   19.855  102.129   42.124   92.124  150.143  102.983   43.886   96.349   39.370   87.060   20.522 9.289085 44.39717 
1 1 1  -25  -10    8 o  275.532   22.376  1011.75  152.631  903.200  224.719  1104.70  207.960  246.862   37.644  281.089   30.094 -34.22679 48.19525 
1 1 1  -25  -10    9 o   88.997   19.221  107.233   41.467  222.950  155.573   98.383   43.023  120.353   42.047   84.862   20.526 35.49039 46.78944 
1 1 1  -25  -10   10 o  159.225   15.416  329.677   60.528  411.827  165.687  317.025   65.022  160.922   41.088  155.442   17.030 5.479889 44.47747 
1 1 1  -25  -10   11 o  150.737   16.087  297.386   59.618  298.697  170.436  297.203   63.638  133.892   44.036  150.168   17.286 -16.27589 47.30695 
1 1 1  -25  -10   12 o  177.707   36.076  483.268  154.628   0.0000   0.0000  483.268  154.628  ?   ?   177.707   36.076 0.000000 36.07633 
1 1 1  -25  -10   13 o  255.044   32.456  960.250  202.026   0.0000   0.0000  960.250  202.026  ?   ?   255.044   32.456 0.000000 32.45580 
1 1 1  -25  -10   14 f   82.999   34.871   61.833  122.416   0.0000   0.0000   61.833  122.416  ?   ?    82.999   34.871 0.000000 34.87081 
1 1 1  -25  -10   15 o  193.258   36.499  587.966  169.691   0.0000   0.0000  587.966  169.691  ?   ?   193.258   36.499 0.000000 36.49942 
1 1 1  -25  -10   16 o  144.665   39.892  355.105  148.772   0.0000   0.0000  355.105  148.772  ?   ?   144.665   39.892 0.000000 39.89170 
1 1 1  -25   -9    1 o  130.260   12.134  216.474   39.016  198.343   52.485  238.870   58.332  123.192   17.558  135.359   17.680 -12.16679 24.91655 
1 1 1  -25   -9    2 o  203.489   11.378  524.795   57.586  545.699   80.568  502.960   82.340  206.131   15.772  197.454   16.861 8.676712 23.08747 
1 1 1  -25   -9    3 o  165.415   11.675  347.718   47.918  331.443   65.648  366.278   70.103  160.030   16.672  168.224   16.917 -8.194382 23.75195 
1 1 1  -25   -9    4 o  194.274   11.453  478.893   55.316  517.529   77.150  438.020   79.353  200.680   15.516  183.806   17.500 16.87354 23.38746 
1 1 1  -25   -9    5 o  244.753   17.552  774.881  106.567  895.723  191.975  721.059  128.120  254.542   30.831  233.632   22.228 20.90923 38.00818 
1 1 1  -25   -9    6 o  201.088   17.303  524.275   86.043  609.938  167.789  493.711  100.224  207.321   33.556  193.379   21.097 13.94138 39.63674 
1 1 1  -25   -9    7 o  158.066   17.204  325.528   66.812   0.0000   0.0000  325.528   66.812  ?   ?   158.066   17.204 0.000000 17.20422 
1 1 1  -25   -9    8 o   81.672   22.240   91.002   46.583  315.530  152.259   67.815   48.929  143.051   40.688   72.143   23.588 70.90836 47.03074 
1 1 1  -25   -9    9 o  146.434   15.348  278.171   55.288  612.647  165.810  236.331   58.644  206.350   33.312  133.900   17.994 72.45047 37.86161 
1 1 1  -25   -9   10 o  208.294   14.821  559.706   76.589  601.714  180.374  550.466   84.593  200.276   37.442  205.721   16.608 -5.445816 40.96061 
1 1 1  -25   -9   11 o  120.011   17.202  190.424   50.079  208.055  157.494  188.441   52.821  116.582   42.143  118.924   18.379 -2.341087 45.97635 
1 1 1  -25   -9   12 o  256.694   14.267  849.558   91.090  1202.42  211.945  769.615  100.882  291.371   29.537  242.842   16.738 48.52890 33.94995 
1 1 1  -25   -9   13 o  279.038   31.924  1133.10  218.449   0.0000   0.0000  1133.10  218.449  ?   ?   279.038   31.924 0.000000 31.92444 
1 1 1  -25   -9   14 o  257.633   32.800  982.136  206.237   0.0000   0.0000  982.136  206.237  ?   ?   257.633   32.800 0.000000 32.80030 
1 1 1  -25   -9   15 o  127.526   39.820  269.764  140.678   0.0000   0.0000  269.764  140.678  ?   ?   127.526   39.820 0.000000 39.82050 
1 1 1  -25   -9   16 o  114.659   39.877  217.644  139.855   0.0000   0.0000  217.644  139.855  ?   ?   114.659   39.877 0.000000 39.87694 
1 1 1  -25   -9   17 o   75.383   33.592   10.083  127.973   0.0000   0.0000   10.083  127.973  ?   ?    75.383   33.592 0.000000 33.59214 
1 1 1  -25   -8    1 o  211.943   11.753  569.370   61.960  618.086   86.440  517.889   88.860  219.533   15.875  200.095   17.975 19.43771 23.98157 
1 1 1  -25   -8    2 o  200.695   11.960  511.089   59.667  567.575   83.509  452.176   85.284  210.233   16.027  186.616   18.546 23.61748 24.51220 
1 1 1  -25   -8    3 f  169.762   11.675  365.972   49.193  404.031   67.981  324.135   71.275  177.313   15.509  157.715   18.446 19.59776 24.09952 
1 1 1  -25   -8    4 o  269.575   12.095  919.835   81.423  968.644  114.737  870.318  115.566  274.429   16.824  259.556   17.940 14.87323 24.59437 
1 1 1  -25   -8    5 o  179.800   17.308  418.829   76.752  518.366  155.569  386.806   88.238  191.466   33.772  171.242   21.080 20.22379 39.81042 
1 1 1  -25   -8    6 o  194.927   20.894  500.077  100.121   0.0000   0.0000  500.077  100.121  ?   ?   194.927   20.894 0.000000 20.89420 
1 1 1  -25   -8    7 o  296.068   16.852  1130.37  124.078  1130.37  124.078   0.0000   0.0000  296.068   16.852  ?   ?  0.000000 16.85208 
1 1 1  -25   -8    8 o  186.461   12.107  442.862   56.070  521.425   79.014  363.174   79.578  201.017   15.870  166.095   19.561 34.92276 25.18884 
1 1 1  -25   -8    9 o  176.338   15.426  401.707   67.246  533.042  165.600  375.774   73.586  190.767   36.084  169.644   17.628 21.12256 40.15950 
1 1 1  -25   -8   10 o  105.367   19.157  148.735   48.549  360.474  158.293  126.749   51.007  152.187   40.812   96.278   21.731 55.90841 46.23732 
1 1 1  -25   -8   11 o  165.168   15.848  354.602   64.564  370.307  170.480  351.972   69.761  151.761   43.015  163.939   17.302 -12.17804 46.36385 
1 1 1  -25   -8   12 f  193.548   15.344  485.604   73.552  523.410  181.407  478.167   80.463  182.538   40.820  191.246   17.026 -8.708038 44.22877 
1 1 1  -25   -8   13 o  104.271   38.104  157.460  129.254   0.0000   0.0000  157.460  129.254  ?   ?   104.271   38.104 0.000000 38.10369 
1 1 1  -25   -8   14 o  128.380   39.177  264.400  137.069   0.0000   0.0000  264.400  137.069  ?   ?   128.380   39.177 0.000000 39.17705 
1 1 1  -25   -8   15 o  135.883   39.544  301.349  142.291   0.0000   0.0000  301.349  142.291  ?   ?   135.883   39.544 0.000000 39.54445 
1 1 1  -25   -8   16 o  149.533   39.533  367.138  149.866   0.0000   0.0000  367.138  149.866  ?   ?   149.533   39.533 0.000000 39.53280 
1 1 1  -25   -8   17 o  170.555   39.425  476.762  164.554   0.0000   0.0000  476.762  164.554  ?   ?   170.555   39.425 0.000000 39.42530 
1 1 1  -25   -8   18 o  119.576   41.122  246.637  148.523   0.0000   0.0000  246.637  148.523  ?   ?   119.576   41.122 0.000000 41.12196 
1 1 1  -25   -7    1 o  117.113   13.256  175.950   38.084  224.439   51.099  115.359   57.120  131.772   15.846   92.131   24.430 39.64082 29.11901 
1 1 1  -25   -7    2 o  112.267   13.174  161.829   36.232  157.626   47.235  167.837   56.472  109.541   17.885  112.190   20.927 -2.648613 27.52858 
1 1 1  -25   -7    3 o  133.832   12.402  228.542   40.976  258.770   55.716  192.929   60.474  141.509   16.051  120.466   20.858 21.04242 26.31886 
1 1 1  -25   -7    4 o  229.066   11.830  665.185   67.438  727.317   94.889  601.772   95.862  238.076   16.054  215.717   17.959 22.35985 24.08857 
1 1 1  -25   -7    5 o  138.922   12.897  246.710   44.230  277.167   57.944  204.188   68.465  146.405   16.116  123.093   23.122 23.31207 28.18450 
1 1 1  -25   -7    6 o  188.379   17.474  459.688   81.265  633.696  163.206  402.322   93.708  213.616   31.544  174.284   22.023 39.33218 38.47115 
1 1 1  -25   -7    7 o  359.137   13.469  1639.81  120.798  1760.72  170.951  1519.23  170.717  368.721   18.627  341.423   20.112 27.29828 27.41241 
1 1 1  -25   -7    8 o  223.882   11.587  636.282   64.557  688.764   90.487  581.880   92.128  231.376   15.755  211.809   17.577 19.56665 23.60410 
1 1 1  -25   -7    9 o  300.296   12.799  1146.30   95.980  1147.77  135.273  1144.81  136.204  297.241   18.313  296.757   18.471 0.4840698 26.01096 
1 1 1  -25   -7   10 o  362.505   12.878  1672.43  116.577  1772.96  166.564  1575.90  163.216  369.892   18.032  347.688   18.869 22.20456 26.10006 
1 1 1  -25   -7   11 o  156.035   16.157  316.755   62.043  268.597  161.988  325.035   67.165  130.781   42.927  157.605   17.353 -26.82373 46.30139 
1 1 1  -25   -7   12 o  153.184   15.371  304.742   58.004  615.475  171.494  264.603   61.637  204.834   34.770  141.698   17.813 63.13609 39.06758 
1 1 1  -25   -7   13 o  250.725   32.594  908.442  199.248   0.0000   0.0000  908.442  199.248  ?   ?   250.725   32.594 0.000000 32.59414 
1 1 1  -25   -7   14 o  131.630   40.078  277.535  143.562   0.0000   0.0000  277.535  143.562  ?   ?   131.630   40.078 0.000000 40.07756 
1 1 1  -25   -7   15 o  202.506   36.362  625.702  177.121   0.0000   0.0000  625.702  177.121  ?   ?   202.506   36.362 0.000000 36.36166 
1 1 1  -25   -7   16 o   82.927   35.269   52.371  127.754   0.0000   0.0000   52.371  127.754  ?   ?    82.927   35.269 0.000000 35.26914 
1 1 1  -25   -7   17 o  389.814   37.900  2376.66  364.270   0.0000   0.0000  2376.66  364.270  ?   ?   389.814   37.900 0.000000 37.90018 
1 1 1  -25   -7   18 o  114.515   40.494  217.903  144.598   0.0000   0.0000  217.903  144.598  ?   ?   114.515   40.494 0.000000 40.49437 
1 1 1  -25   -6    1 o  141.453   11.790  254.460   41.268  243.064   54.847  269.332   62.654  137.077   16.345  143.944   17.811 -6.866196 24.17381 
1 1 1  -25   -6    2 o  249.288   11.226  784.308   69.883  820.448   97.189  745.622  100.555  253.326   15.437  240.925   16.819 12.40050 22.82957 
1 1 1  -25   -6    3 o  297.915   11.884  1121.77   88.409  1105.91  123.331  1138.54  126.799  293.541   16.896  297.742   17.126 -4.201416 24.05800 
1 1 1  -25   -6    4 o  291.296   12.420  1073.97   90.343  1131.38  127.137  1015.41  128.402  296.673   17.235  280.426   18.439 16.24695 25.23973 
1 1 1  -25   -6    5 o  203.656   21.258  544.181  106.517   0.0000   0.0000  544.181  106.517  ?   ?   203.656   21.258 0.000000 21.25790 
1 1 1  -25   -6    6 o  158.122   17.945  325.312   69.602  397.502  143.691  303.181   79.559  166.319   35.667  151.199   21.693 15.12074 41.74565 
1 1 1  -25   -6    7 o  200.933   12.376  513.458   61.798  612.418   86.690  411.209   88.118  218.220   16.020  176.948   20.310 41.27231 25.86773 
1 1 1  -25   -6    8 o  369.052   13.527  1732.08  124.664  1810.50  176.563  1654.13  176.041  373.605   18.987  356.444   19.856 17.16095 27.47357 
1 1 1  -25   -6    9 o  192.458   11.701  470.834   55.967  532.738   78.269  406.066   80.059  203.432   15.524  176.330   18.455 27.10187 24.11623 
1 1 1  -25   -6   10 o  403.891   14.650  2085.51  147.757  1971.92  208.237  2200.70  209.691  386.929   21.638  410.363   20.463 -23.43451 29.78131 
1 1 1  -25   -6   11 o  122.209   12.826  192.038   38.559  191.284   52.049  192.955   57.406  120.383   17.855  120.202   19.815 0.1808472 26.67309 
1 1 1  -25   -6   12 o   77.718   21.461   82.305   43.022  127.450  145.494   77.979   45.036  101.296   39.630   75.843   22.298 25.45372 45.47223 
1 1 1  -25   -6   13 o  163.120   16.595  347.447   66.656  390.207  175.232  340.213   72.075  155.171   43.481  160.656   18.291 -5.484299 47.17138 
1 1 1  -25   -6   14 o  281.719   32.360  1144.45  223.520   0.0000   0.0000  1144.45  223.520  ?   ?   281.719   32.360 0.000000 32.35979 
1 1 1  -25   -6   15 o  139.801   40.132  314.159  147.454   0.0000   0.0000  314.159  147.454  ?   ?   139.801   40.132 0.000000 40.13213 
1 1 1  -25   -6   16 o   82.139   35.381   39.967  131.584   0.0000   0.0000   39.967  131.584  ?   ?    82.139   35.381 0.000000 35.38091 
1 1 1  -25   -6   17 o  294.172   33.742  1291.57  243.384   0.0000   0.0000  1291.57  243.384  ?   ?   294.172   33.742 0.000000 33.74166 
1 1 1  -25   -6   18 o  130.585   41.794  290.370  154.114   0.0000   0.0000  290.370  154.114  ?   ?   130.585   41.794 0.000000 41.79372 
1 1 1  -25   -6   19 o  166.667   40.295  462.089  165.862   0.0000   0.0000  462.089  165.862  ?   ?   166.667   40.295 0.000000 40.29544 
1 1 1  -25   -5    1 f  245.873   12.092  764.125   74.247  733.859  102.207  797.945  108.038  238.883   17.249  249.046   17.483 -10.16302 24.55977 
1 1 1  -25   -5    2 o  157.753   12.048  316.312   47.101  326.260   63.896  304.472   69.705  159.087   16.315  152.893   18.643 6.193878 24.77341 
1 1 1  -25   -5    3 o  307.281   11.230  1191.70   86.171  1193.95  120.036  1189.32  123.777  305.599   15.783  304.759   16.324 0.8405457 22.70612 
1 1 1  -25   -5    4 o  246.429   16.881  780.434  103.257   0.0000   0.0000  780.434  103.257  ?   ?   246.429   16.881 0.000000 16.88109 
1 1 1  -25   -5    5 o  269.218   30.596  989.617  202.038  989.617  202.038   0.0000   0.0000  269.218   30.596  ?   ?  0.000000 30.59584 
1 1 1  -25   -5    6 f   69.285   22.754   60.996   45.512 -37.9355  121.801   77.050   49.066   71.574   32.262   76.353   23.464 -4.778915 39.89244 
1 1 1  -25   -5    7 o  112.182   13.693  162.154   37.563  209.415   51.160  106.879   55.328  126.891   16.539   88.600   24.284 38.29050 29.38130 
1 1 1  -25   -5    8 o  212.898   12.949  577.276   68.517  615.824   95.858  537.011   97.971  218.072   17.757  202.758   19.594 15.31474 26.44277 
1 1 1  -25   -5    9 o  313.309   13.287  1247.86  103.953  1336.37  146.504  1158.12  147.524  321.184   18.342  297.948   19.943 23.23645 27.09524 
1 1 1  -25   -5   10 o  114.993   12.999  170.118   36.672  180.525   48.786  156.599   55.605  117.282   17.166  107.684   21.432 9.597343 27.45896 
1 1 1  -25   -5   11 o   96.861   13.565  121.747   31.912  131.189   42.279  109.244   48.649   99.418   17.677   89.436   21.947 9.982552 28.18086 
1 1 1  -25   -5   12 o   91.196   14.415  108.815   31.738  135.031   42.184   74.621   48.178  100.905   17.368   74.726   23.298 26.17889 29.05938 
1 1 1  -25   -5   13 o  106.888   13.171  147.831   34.413  177.651   46.299  111.020   51.441  116.291   16.398   89.685   22.891 26.60555 28.15881 
1 1 1  -25   -5   14 o  130.816   40.005  268.702  142.825   0.0000   0.0000  268.702  142.825  ?   ?   130.816   40.005 0.000000 40.00459 
1 1 1  -25   -5   15 f  136.420   40.139  296.628  145.889   0.0000   0.0000  296.628  145.889  ?   ?   136.420   40.139 0.000000 40.13924 
1 1 1  -25   -5   16 f  241.248   34.074  861.451  199.562   0.0000   0.0000  861.451  199.562  ?   ?   241.248   34.074 0.000000 34.07404 
1 1 1  -25   -5   17 o   88.957   36.995   78.704  135.712   0.0000   0.0000   78.704  135.712  ?   ?    88.957   36.995 0.000000 36.99461 
1 1 1  -25   -5   18 f  111.968   40.595  199.592  146.291   0.0000   0.0000  199.592  146.291  ?   ?   111.968   40.595 0.000000 40.59476 
1 1 1  -25   -5   19 o   86.016   36.791   61.641  140.452   0.0000   0.0000   61.641  140.452  ?   ?    86.016   36.791 0.000000 36.79086 
1 1 1  -25   -4    1 f  213.801   11.596  578.864   61.682  568.179   84.473  591.070   90.280  210.417   16.201  214.348   17.006 -3.930115 23.48767 
1 1 1  -25   -4    2 o  112.948   13.709  164.071   37.875  165.010   49.456  162.740   58.899  112.050   18.307  110.108   22.187 1.942261 28.76527 
1 1 1  -25   -4    3 o  236.483   11.641  706.356   68.747  646.744   94.512  773.333  100.181  224.241   17.005  245.540   16.433 -21.29945 23.64763 
1 1 1  -25   -4    4 o  208.037   11.763  548.537   60.858  542.196   83.216  555.828   89.230  205.412   16.359  207.623   17.370 -2.211517 23.86020 
1 1 1  -25   -4    5 o  272.859   17.007  956.726  115.306  1300.67  194.718  770.985  143.092  313.320   25.097  241.389   24.059 71.93141 34.76639 
1 1 1  -25   -4    6 o   71.074   23.534   64.007   48.649  -2.5136  122.620   76.435   52.999   76.824   33.609   76.584   24.509 0.2402420 41.59652 
1 1 1  -25   -4    7 o   58.212   17.248   44.193   26.858   63.981   34.611   14.241   42.582   69.334   19.287   51.224   20.953 18.10982 28.47843 
1 1 1  -25   -4    8 o   91.476   14.589  109.095   32.208  126.128   42.506   86.131   49.354   97.544   18.117   80.030   23.289 17.51460 29.50619 
1 1 1  -25   -4    9 o  387.987   15.077  1922.40  146.079  2070.22  206.646  1774.76  206.527  398.122   20.858  367.106   22.639 31.01596 30.78288 
1 1 1  -25   -4   10 o  198.641   12.054  501.925   59.509  571.160   83.392  430.082   84.948  210.521   15.982  181.298   19.048 29.22353 24.86475 
1 1 1  -25   -4   11 o  160.420   12.028  328.176   47.835  308.172   65.264  351.396   70.314  153.719   17.303  164.214   17.412 -10.49556 24.54737 
1 1 1  -25   -4   12 o   71.742   15.816   68.569   27.572   73.296   35.219   61.084   44.317   73.716   19.009   68.712   22.448 5.003067 29.41530 
1 1 1  -25   -4   13 o  149.007   11.896  283.738   43.895  306.189   59.938  257.770   64.462  153.501   15.865  139.520   18.996 13.98129 24.74964 
1 1 1  -25   -4   14 o   90.831   18.323  110.933   40.126  100.173   41.906  229.547  139.138   85.787   19.940  122.153   39.769 -36.36608 44.48808 
1 1 1  -25   -4   15 o  241.406   34.436  854.451  201.706   0.0000   0.0000  854.451  201.706  ?   ?   241.406   34.436 0.000000 34.43557 
1 1 1  -25   -4   16 o  132.779   41.246  284.978  151.151   0.0000   0.0000  284.978  151.151  ?   ?   132.779   41.246 0.000000 41.24599 
1 1 1  -25   -4   17 f  129.550   41.227  274.220  150.124   0.0000   0.0000  274.220  150.124  ?   ?   129.550   41.227 0.000000 41.22655 
1 1 1  -25   -4   18 o  276.655   34.514  1146.45  233.259   0.0000   0.0000  1146.45  233.259  ?   ?   276.655   34.514 0.000000 34.51436 
1 1 1  -25   -4   19 o  100.107   39.806  138.302  148.970   0.0000   0.0000  138.302  148.970  ?   ?   100.107   39.806 0.000000 39.80647 
1 1 1  -25   -4   20 o  122.359   41.727  254.608  152.860   0.0000   0.0000  254.608  152.860  ?   ?   122.359   41.727 0.000000 41.72687 
1 1 1  -25   -3    1 o  211.609   11.752  567.375   61.854  548.971   84.311  588.826   91.023  206.691   16.472  213.841   17.191 -7.149963 23.80823 
1 1 1  -25   -3    2 o   70.790   16.961   66.594   29.589   37.718   36.846  119.035   49.655   57.535   20.431   94.019   21.603 -36.48383 29.73403 
1 1 1  -25   -3    3 o  112.587   21.849  169.748   59.212   0.0000   0.0000  169.748   59.212  ?   ?   112.587   21.849 0.000000 21.84888 
1 1 1  -25   -3    4 o  267.951   17.751  924.637  118.102  924.637  118.102   0.0000   0.0000  267.951   17.751  ?   ?  0.000000 17.75089 
1 1 1  -25   -3    5 o  149.243   18.875  290.896   68.771  242.956  136.234  307.290   79.666  129.335   38.966  152.488   21.519 -23.15236 44.51344 
1 1 1  -25   -3    6 o  114.116   20.314  173.110   55.766  334.752  129.120  136.045   61.830  153.180   34.575   99.755   24.899 53.42529 42.60754 
1 1 1  -25   -3    7 o  117.685   13.402  177.942   38.682  186.574   51.354  166.620   58.812  119.325   17.777  111.340   21.933 7.984756 28.23234 
1 1 1  -25   -3    8 o  137.213   12.607  240.547   42.715  257.822   57.800  219.760   63.405  140.916   16.754  128.750   20.401 12.16547 26.39869 
1 1 1  -25   -3    9 o  164.548   12.608  345.287   51.415  480.630   71.922  203.836   73.527  193.516   15.000  122.148   24.948 71.36739 29.11071 
1 1 1  -25   -3   10 o  171.489   12.330  374.765   52.448  393.964   72.430  353.601   76.046  174.363   16.844  164.343   18.872 10.01979 25.29626 
1 1 1  -25   -3   11 o  188.056   11.776  449.834   55.024  514.867   76.579  380.425   79.114  199.956   15.456  170.375   18.914 29.58105 24.42644 
1 1 1  -25   -3   12 o  239.176   11.519  725.005   68.801  782.186   95.925  664.425   98.735  246.427   15.669  226.121   17.625 20.30638 23.58314 
1 1 1  -25   -3   13 o  332.931   13.029  1412.09  108.319  1387.02  152.570  1437.57  153.810  325.983   18.822  332.036   18.625 -6.052429 26.47996 
1 1 1  -25   -3   14 o  153.177   11.804  299.782   44.804  300.764   60.923  298.626   66.119  151.886   16.318  150.696   17.921 1.190231 24.23779 
1 1 1  -25   -3   15 o  177.061   16.298  408.340   71.252  366.236   79.056  590.560  164.464  166.180   19.416  200.958   33.984 -34.77809 39.14003 
1 1 1  -25   -3   16 o   74.186   18.864   74.837   35.026   55.607   36.102  383.021  144.527   64.774   20.164  157.928   37.251 -93.15340 42.35809 
1 1 1  -25   -3   17 o   66.651   31.274 -88.0003  131.812   0.0000   0.0000 -88.0003  131.812  ?   ?    66.651   31.274 0.000000 31.27441 
1 1 1  -25   -3   18 o  274.006   34.945  1123.74  233.668   0.0000   0.0000  1123.74  233.668  ?   ?   274.006   34.945 0.000000 34.94548 
1 1 1  -25   -3   19 o   93.570   38.588   99.654  145.905   0.0000   0.0000   99.654  145.905  ?   ?    93.570   38.588 0.000000 38.58807 
1 1 1  -25   -3   20 o  103.325   40.465  156.475  151.814   0.0000   0.0000  156.475  151.814  ?   ?   103.325   40.465 0.000000 40.46549 
1 1 1  -25   -2    1 o  250.632   11.684  793.654   73.128  763.837  100.119  827.752  107.065  243.928   16.534  253.777   16.993 -9.850082 23.70921 
1 1 1  -25   -2    2 o   84.676   16.106   94.394   32.812   67.115   41.754  138.439   53.056   71.449   21.583  101.491   21.598 -30.04208 30.53295 
1 1 1  -25   -2    3 o  240.727   17.723  746.987  105.793  746.987  105.793   0.0000   0.0000  240.727   17.723  ?   ?  0.000000 17.72336 
1 1 1  -25   -2    4 o  269.424   18.392  937.116  122.999  852.333  196.027  992.173  157.966  248.634   32.338  274.618   23.253 -25.98445 39.82995 
1 1 1  -25   -2    5 o   95.266   23.028  123.100   54.176   23.103  121.222  148.059   60.561   80.523   34.304  104.394   23.764 -23.87109 41.73101 
1 1 1  -25   -2    6 o  191.415   15.606  470.419   73.949  539.533  151.632  448.852   84.706  197.195   31.880  185.921   18.490 11.27313 36.85426 
1 1 1  -25   -2    7 o  215.261   12.093  588.149   64.742  594.149   89.256  581.489   94.048  214.764   16.776  211.988   17.934 2.775848 24.55746 
1 1 1  -25   -2    8 o   94.986   15.023  117.685   34.449  161.680   45.136   56.299   53.316  111.176   16.780   69.095   24.572 42.08116 29.75519 
1 1 1  -25   -2    9 o   73.984   16.589   72.827   29.893   80.253   37.708   60.265   49.041   77.272   19.532   69.548   23.635 7.724060 30.66105 
1 1 1  -25   -2   10 o  106.247   13.660  145.839   35.402  165.466   47.167  120.513   53.577  112.205   17.397   93.961   23.016 18.24384 28.85101 
1 1 1  -25   -2   11 o  189.387   12.021  456.463   56.556  452.806   77.735  460.576   82.435  186.949   16.832  188.181   17.752 -1.232162 24.46307 
1 1 1  -25   -2   12 o  406.102   14.530  2107.69  147.354  2219.94  208.334  1995.31  208.445  412.343   20.233  389.312   21.524 23.03073 29.54080 
1 1 1  -25   -2   13 o  268.132   13.217  916.093   88.501  993.611  124.674  837.357  125.650  276.260   18.173  252.359   20.105 23.90146 27.10165 
1 1 1  -25   -2   14 o  138.398   12.405  245.540   42.417  261.241   57.107  226.217   63.351  141.434   16.478  130.079   20.155 11.35527 26.03344 
1 1 1  -25   -2   15 o  242.687   17.344  767.641  104.416  740.623  124.440  831.917  191.939  235.834   21.362  240.502   32.816 -4.667709 39.15610 
1 1 1  -25   -2   16 o  270.728   16.335  951.774  109.917  737.195  128.490  1537.29  212.247  234.314   22.225  335.447   25.529 -101.1327 33.84828 
1 1 1  -25   -2   17 o   91.424   18.560  113.032   40.926  101.268   42.576  256.056  148.453   85.965   20.179  126.387   41.075 -40.42207 45.76417 
1 1 1  -25   -2   18 o  110.590   41.233  185.531  152.673   0.0000   0.0000  185.531  152.673  ?   ?   110.590   41.233 0.000000 41.23298 
1 1 1  -25   -2   19 o  210.652   37.374  685.347  189.402   0.0000   0.0000  685.347  189.402  ?   ?   210.652   37.374 0.000000 37.37431 
1 1 1  -25   -2   20 o  173.245   41.812  496.900  178.824   0.0000   0.0000  496.900  178.824  ?   ?   173.245   41.812 0.000000 41.81239 
1 1 1  -25   -1    1 o  174.431   12.574  387.188   54.402  409.342   68.938  350.616   88.573  178.484   15.625  162.644   22.402 15.83969 27.31281 
1 1 1  -25   -1    2 o  118.111   24.769  189.692   70.723   0.0000   0.0000  189.692   70.723  ?   ?   118.111   24.769 0.000000 24.76944 
1 1 1  -25   -1    3 o  206.553   17.750  551.285   90.666  533.593  155.435  560.409  111.623  195.529   33.009  206.450   21.990 -10.92067 39.66281 
1 1 1  -25   -1    4 f  318.357   19.605  1313.28  155.105  1163.53  236.365  1426.53  205.551  289.970   33.243  327.963   25.294 -37.99237 41.77126 
1 1 1  -25   -1    5 o  120.564   20.864  193.338   60.541  199.963  126.829  191.383   68.897  118.524   37.912  118.864   24.037 -0.3407135 44.88987 
1 1 1  -25   -1    6 o  152.701   12.302  296.994   46.514  289.292   61.981  306.924   70.379  149.398   16.911  153.306   18.776 -3.907883 25.26945 
1 1 1  -25   -1    7 o  162.317   12.511  335.648   50.322  379.393   68.156  283.220   74.613  171.556   16.097  146.325   21.024 25.23178 26.47852 
1 1 1  -25   -1    8 o  223.793   11.578  634.967   64.483  629.177   88.619  641.482   94.003  221.193   16.155  223.008   17.008 -1.815521 23.45801 
1 1 1  -25   -1    9 o   82.892   16.001   90.732   31.921  100.234   40.826   75.785   51.205   86.410   19.396   75.940   24.068 10.47025 30.91043 
1 1 1  -25   -1   10 o  137.702   12.281  242.203   41.786  268.921   55.842  208.206   62.992  144.152   15.770  124.903   20.937 19.24844 26.21149 
1 1 1  -25   -1   11 o  158.499   11.798  319.969   46.362  314.141   62.407  327.147   69.259  155.667   16.296  158.328   17.827 -2.660950 24.15291 
1 1 1  -25   -1   12 o  279.905   13.191  997.087   92.199  1002.79  128.988  991.127  131.837  277.501   18.723  275.534   19.282 1.966888 26.87682 
1 1 1  -25   -1   13 o  167.811   12.050  359.283   50.160  365.324   68.617  352.349   73.509  167.645   16.609  163.946   18.266 3.698898 24.68789 
1 1 1  -25   -1   14 o  171.425   11.700  374.692   49.788  367.474   67.875  383.099   73.253  168.107   16.377  171.257   17.369 -3.150543 23.87211 
1 1 1  -25   -1   15 o  293.044   19.271  1127.46  140.234  1184.11  175.718  1028.11  232.725  296.478   23.938  264.336   36.208 32.14169 43.40562 
1 1 1  -25   -1   16 o  167.029   16.678  364.571   68.636  347.114   75.447  448.377  165.306  161.878   19.027  169.766   39.702 -7.887589 44.02558 
1 1 1  -25   -1   17 o   60.143   19.059   47.231   32.111   45.663   32.953   76.752  142.955   59.515   19.353   90.901   37.900 -31.38652 42.55503 
1 1 1  -25   -1   18 o  104.880   18.887  148.354   47.646  164.388   50.188   2.0030  151.628  110.541   18.858   81.600   36.449 28.94069 41.03836 
1 1 1  -25   -1   19 o  143.338   43.807  348.380  171.297   0.0000   0.0000  348.380  171.297  ?   ?   143.338   43.807 0.000000 43.80722 
1 1 1  -25   -1   20 o  103.904   40.649  155.012  153.074   0.0000   0.0000  155.012  153.074  ?   ?   103.904   40.649 0.000000 40.64945 
1 1 1  -25   -1   21 o  161.324   43.286  444.735  178.006   0.0000   0.0000  444.735  178.006  ?   ?   161.324   43.286 0.000000 43.28614 
1 1 1  -25    0    1 o  176.977   17.832  406.298   77.735  602.699  151.971  336.702   90.466  209.612   29.879  158.732   23.536 50.87999 38.03520 
1 1 1  -25    0    2 o  115.078   37.479  187.109  123.575  187.109  123.575   0.0000   0.0000  115.078   37.479  ?   ?  0.000000 37.47940 
1 1 1  -25    0    3 f  218.896   17.540  618.710   95.071  807.459  172.814  536.792  113.848  243.803   28.951  201.382   23.054 42.42064 37.00874 
1 1 1  -25    0    4 f  216.193   15.768  599.825   84.543  718.833  163.768  556.586   98.713  229.726   29.208  206.807   19.339 22.91963 35.02988 
1 1 1  -25    0    5 o  167.572   12.413  357.449   51.572  357.938   69.481  356.850   76.958  166.327   16.966  165.359   18.981 0.9680481 25.45813 
1 1 1  -25    0    6 o  134.244   12.588  230.246   41.706  218.654   55.124  245.765   63.780  129.427   17.505  136.774   19.203 -7.347275 25.98393 
1 1 1  -25    0    7 o   94.400   15.261  116.407   34.747   97.112   44.722  145.796   55.195   84.794   21.182  103.933   21.955 -19.13907 30.50718 
1 1 1  -25    0    8 o  283.807   12.986  1022.12   92.036  1018.45  127.562  1026.11  132.922  280.544   18.309  281.201   19.041 -0.6571350 26.41549 
1 1 1  -25    0    9 o  124.330   12.467  197.852   38.185  188.686   49.598  211.193   59.835  120.132   17.008  126.352   19.598 -6.219994 25.94967 
1 1 1  -25    0   10 o  119.484   13.049  183.398   38.301  169.404   49.905  203.453   59.745  113.274   18.264  123.752   20.016 -10.47845 27.09649 
1 1 1  -25    0   11 o  267.249   12.481  906.557   83.294  868.217  115.444  948.187  120.296  258.722   17.980  270.461   17.913 -11.73849 25.38020 
1 1 1  -25    0   12 o  206.696   11.895  543.510   61.137  581.960   84.373  501.002   88.713  212.336   16.030  195.931   18.345 16.40538 24.36211 
1 1 1  -25    0   13 o  239.282   12.499  729.705   74.428  796.663  104.306  660.248  106.235  247.982   16.945  224.531   19.129 23.45027 25.55536 
1 1 1  -25    0   14 o  145.289   12.797  270.746   45.956  272.768   62.433  268.355   67.893  144.128   17.720  142.163   19.650 1.965668 26.45942 
1 1 1  -25    0   15 o  202.758   17.176  535.924   86.150  530.381   98.870  553.407  175.575  200.198   20.046  191.635   38.031 8.563049 42.99091 
1 1 1  -25    0   16 o   52.760   18.617   32.645   30.547   30.058   31.259   87.554  144.005   51.814   18.768   93.413   38.408 -41.59959 42.74788 
1 1 1  -25    0   17 o  155.469   16.598  316.535   63.442  290.812   68.674  466.300  165.705  147.878   19.039  173.116   39.237 -25.23792 43.61242 
1 1 1  -25    0   18 o   74.556   19.014   75.784   35.510   52.276   36.463  508.273  156.394   63.187   20.340  183.842   35.350 -120.6546 40.78423 
1 1 1  -25    0   19 o  191.831   16.666  482.153   79.044  433.819   87.653  692.585  182.893  180.168   19.809  214.509   35.376 -34.34123 40.54505 
1 1 1  -25    0   20 o   54.676   18.827   36.826   31.138   30.825   31.804  175.605  152.942   52.113   18.923  107.985   41.049 -55.87174 45.20099 
1 1 1  -25    0   21 o  245.739   38.076  943.547  226.095   0.0000   0.0000  943.547  226.095  ?   ?   245.739   38.076 0.000000 38.07562 
1 1 1  -25    1    1 o  185.614   16.217  444.243   74.414  650.416  147.312  373.608   86.224  218.971   27.550  168.293   20.972 50.67744 34.62414 
1 1 1  -25    1    2 o  191.113   12.311  464.501   58.440  530.125   79.095  385.608   86.724  203.093   15.718  171.161   20.712 31.93216 26.00053 
1 1 1  -25    1    3 o  212.717   12.552  575.344   66.378  578.842   89.977  571.166   98.321  211.725   17.166  209.539   18.997 2.185852 25.60346 
1 1 1  -25    1    4 o  230.902   12.057  676.648   69.281  704.100   94.443  644.663  101.943  234.025   16.261  222.948   18.477 11.07767 24.61392 
1 1 1  -25    1    5 f  319.285   13.153  1293.83  104.872  1303.55  145.209  1283.24  151.620  317.556   18.390  314.461   19.403 3.095947 26.73336 
1 1 1  -25    1    6 o  162.275   12.192  335.278   49.045  343.606   65.544  324.681   73.931  163.070   16.315  157.459   19.200 5.611115 25.19511 
1 1 1  -25    1    7 o   98.920   14.565  127.180   34.902  114.237   44.669  147.468   55.925   92.232   19.973  104.432   22.132 -12.20064 29.81179 
1 1 1  -25    1    8 f  171.883   12.776  376.800   54.445  385.590   73.681  366.229   80.803  172.391   17.351  167.044   19.753 5.346512 26.29184 
1 1 1  -25    1    9 o  102.171   14.632  135.670   36.265  129.862   46.565  144.623   57.814   98.502   19.620  103.038   23.046 -4.535301 30.26658 
1 1 1  -25    1   10 o  148.931   12.345  283.171   45.500  301.577   60.671  259.513   68.782  152.564   16.171  139.946   20.272 12.61850 25.93209 
1 1 1  -25    1   11 o  332.677   13.255  1408.04  110.121  1364.47  153.074  1454.77  158.538  323.835   19.012  334.372   19.066 -10.53738 26.92538 
1 1 1  -25    1   12 o  335.266   13.950  1434.01  116.796  1435.16  163.133  1432.81  167.294  331.322   19.808  330.633   20.361 0.6896057 28.40637 
1 1 1  -25    1   13 o  126.776   13.054  206.679   40.736  222.003   53.865  186.205   62.263  130.194   16.971  117.196   22.085 12.99815 27.85272 
1 1 1  -25    1   14 o   65.815   17.334   58.067   28.883   35.546   35.736  100.498   49.052   55.847   20.090   85.547   22.617 -29.69983 30.25114 
1 1 1  -25    1   15 o  240.286   17.988  754.195  107.154  777.937  128.338  699.550  194.705  241.833   21.475  216.685   37.330 25.14870 43.06662 
1 1 1  -25    1   16 o   52.036   18.794   30.500   31.312   28.967   32.099   60.635  142.291   51.641   18.971   88.815   37.469 -37.17334 41.99800 
1 1 1  -25    1   17 o   73.692   19.419   73.908   36.237   64.423   37.380  221.909  147.658   69.101   20.314  119.332   41.004 -50.23133 45.76024 
1 1 1  -25    1   18 o  213.807   16.849  597.523   89.230  536.418  100.764  819.537  192.069  200.437   20.416  236.465   33.461 -36.02756 39.19772 
1 1 1  -25    1   19 o  166.951   17.036  366.543   70.029  352.705   76.274  440.826  176.720  162.685   19.141  163.488   42.788 -0.8031464 46.87463 
1 1 1  -25    1   20 o   68.590   19.585   64.030   35.208   57.822   36.093  186.015  159.986   65.617   20.118  110.410   41.981 -44.79227 46.55238 
1 1 1  -25    1   21 f  236.211   17.855  736.778  104.541  692.885  119.546  879.438  215.523  226.385   21.400  238.223   37.466 -11.83733 43.14730 
1 1 1  -25    2    1 f  192.872   16.420  480.449   78.334  480.449   78.334   0.0000   0.0000  192.872   16.420  ?   ?  0.000000 16.42027 
1 1 1  -25    2    2 o  192.685   12.122  472.213   58.028  482.362   77.731  459.437   87.213  193.365   16.248  187.641   18.868 5.723297 24.90023 
1 1 1  -25    2    3 f  122.704   13.718  193.753   41.316  221.735   53.859  153.742   64.403  130.414   16.938  105.812   24.805 24.60258 30.03647 
1 1 1  -25    2    4 o  154.261   12.605  303.709   48.131  317.991   63.921  285.010   73.143  156.658   16.592  146.818   20.510 9.840393 26.38100 
1 1 1  -25    2    5 o  280.756   12.157  998.618   85.230  1019.48  117.480  975.438  123.838  281.375   16.796  274.505   18.168 6.870575 24.74275 
1 1 1  -25    2    6 o  226.275   12.859  651.802   72.359  717.247   99.618  578.707  105.280  235.730   17.038  210.154   20.315 25.57619 26.51336 
1 1 1  -25    2    7 o  182.058   12.523  422.261   56.587  452.558   76.586  385.834   83.978  187.148   16.558  171.357   20.001 15.79097 25.96605 
1 1 1  -25    2    8 f  105.288   14.524  143.862   37.169  166.743   48.304  110.645   58.200  112.522   17.781   89.866   25.015 22.65556 30.69074 
1 1 1  -25    2    9 f  231.866   11.845  682.766   68.357  679.555   93.507  686.452  100.182  229.555   16.420  230.202   17.560 -0.6466370 24.04107 
1 1 1  -25    2   10 o  205.177   12.255  535.864   62.505  566.569   85.484  500.588   91.624  209.411   16.480  195.686   18.989 13.72438 25.14312 
1 1 1  -25    2   11 o  217.238   12.658  601.542   68.370  660.622   93.908  534.903   99.735  225.993   16.760  201.700   20.068 24.29308 26.14573 
1 1 1  -25    2   12 o  190.932   12.442  465.042   58.997  448.217   80.311  484.766   86.953  185.507   17.545  192.640   18.295 -7.132431 25.34821 
1 1 1  -25    2   13 o  160.798   12.261  330.360   48.863  313.701   65.319  351.529   73.630  154.988   17.165  163.682   18.328 -8.693970 25.11103 
1 1 1  -25    2   14 o  143.683   17.390  270.732   61.124  266.038   66.557  296.015  154.467  141.641   19.321  137.495   41.507 4.146332 45.78349 
1 1 1  -25    2   15 o  212.128   17.419  587.058   91.459  588.618  106.258  582.598  179.655  210.732   20.450  196.774   37.937 13.95744 43.09712 
1 1 1  -25    2   16 f  137.964   16.729  249.666   56.456  213.577   60.364  501.617  159.497  126.254   19.797  183.173   36.153 -56.91935 41.21818 
1 1 1  -25    2   17 o  134.424   17.097  238.028   56.091  217.740   60.013  378.208  157.749  127.517   19.463  154.484   40.424 -26.96722 44.86539 
1 1 1  -25    2   18 o  175.446   16.841  403.297   72.879  373.477   80.203  544.562  174.566  167.433   19.550  187.695   38.535 -20.26125 43.21044 
1 1 1  -25    2   19 o  205.255   16.946  551.995   86.083  497.401   96.088  773.951  193.746  192.857   20.255  227.338   35.271 -34.48119 40.67284 
1 1 1  -25    2   20 o  252.540   17.923  839.873  112.296  777.518  130.132  1021.73  222.236  239.863   21.970  261.163   34.953 -21.30002 41.28404 
1 1 1  -25    2   21 o  285.370   17.910  1073.59  126.982  918.401  149.286  1479.68  241.494  259.168   23.316  319.815   30.612 -60.64682 38.48063 
1 1 1  -25    3    1 o  140.630   13.129  253.622   45.573  270.442   59.459  229.670   70.954  144.076   16.844  130.471   22.596 13.60416 28.18349 
1 1 1  -25    3    2 o  124.993   13.524  201.053   41.540  197.850   53.684  205.832   65.576  122.585   18.080  123.632   22.049 -1.047768 28.51391 
1 1 1  -25    3    3 o  121.869   13.876  191.484   41.477  237.401   54.718  129.467   63.591  135.027   16.576   96.750   25.834 38.27611 30.69496 
1 1 1  -25    3    4 o  211.632   12.153  569.630   63.957  606.229   86.515  525.524   94.973  216.885   16.088  200.519   19.202 16.36589 25.05072 
1 1 1  -25    3    5 o  209.683   12.021  558.968   62.683  558.104   84.456  560.027   93.531  207.938   16.398  207.507   18.235 0.4307098 24.52326 
1 1 1  -25    3    6 f  245.721   12.545  768.144   76.719  810.734  105.251  719.863  112.063  250.585   16.919  234.910   19.273 15.67564 25.64573 
1 1 1  -25    3    7 o  153.527   12.633  301.136   48.002  305.229   64.020  295.880   72.548  153.186   17.024  149.719   19.897 3.466141 26.18584 
1 1 1  -25    3    8 o  134.221   12.856  230.856   42.563  255.690   56.365  197.909   64.923  140.243   16.405  121.103   22.289 19.14007 27.67539 
1 1 1  -25    3    9 o  161.453   12.456  332.780   49.831  355.980   66.552  303.176   75.177  165.766   16.288  151.283   20.421 14.48325 26.12127 
1 1 1  -25    3   10 o  140.206   13.243  252.270   45.816  242.395   60.838  265.208   69.638  135.720   18.427  141.323   20.317 -5.603287 27.42840 
1 1 1  -25    3   11 o  109.581   14.256  155.753   38.087  172.409   49.632  131.894   59.401  114.202   17.999   97.706   24.415 16.49599 30.33254 
1 1 1  -25    3   12 o  188.895   12.101  454.869   56.783  457.188   77.031  452.110   84.030  187.698   16.606  185.884   18.342 1.814346 24.74213 
1 1 1  -25    3   13 o   88.067   15.348  102.216   32.527   92.119   41.077  119.190   53.260   82.341   20.143   93.028   23.045 -10.68652 30.60747 
1 1 1  -25    3   14 o  227.411   18.811  678.147  105.866  774.983  126.188  448.006  194.533  241.736   21.116  165.735   45.581 76.00121 50.23443 
1 1 1  -25    3   15 f  101.409   18.919  138.102   46.148  125.156   48.461  264.101  151.187   95.797   20.850  129.651   41.384 -33.85387 46.33965 
1 1 1  -25    3   16 o  222.055   17.443  644.267   95.946  629.326  111.767  686.123  187.067  217.423   20.841  214.785   36.162 2.638062 41.73740 
1 1 1  -25    3   17 o  144.600   17.255  275.239   61.077  261.211   65.764  363.264  164.740  139.921   19.338  149.751   42.228 -9.829132 46.44586 
1 1 1  -25    3   18 o  164.518   17.358  356.064   70.237  355.244   77.105  360.062  170.237  163.387   19.269  147.493   43.349 15.89372 47.43832 
1 1 1  -25    3   19 o  267.628   19.275  948.333  127.955  998.402  154.437  838.716  228.512  271.423   23.002  230.080   41.289 41.34348 47.26400 
1 1 1  -25    3   20 o  241.468   18.527  770.744  110.865  768.731  127.870  776.836  222.491  238.751   21.684  219.516   42.120 19.23489 47.37355 
1 1 1  -25    3   21 o  196.865   17.866  512.473   86.875  516.507   96.680  495.557  197.980  196.286   20.004  168.910   45.789 27.37573 49.96778 
1 1 1  -25    3   22 o   72.070   34.009 -97.0466  159.813   0.0000   0.0000 -97.0466  159.813  ?   ?    72.070   34.009 0.000000 34.00912 
1 1 1  -25    4    1 o  145.000   13.226  269.947   47.362  293.356   61.654  236.242   73.979  150.009   16.744  131.818   23.328 18.19080 28.71496 
1 1 1  -25    4    2 o  143.409   12.624  263.357   44.749  249.881   58.350  282.601   69.730  138.168   17.290  146.150   19.600 -7.982544 26.13614 
1 1 1  -25    4    3 o  120.279   13.549  186.523   39.986  170.476   51.299  211.367   63.829  113.296   18.790  125.547   21.108 -12.25137 28.26018 
1 1 1  -25    4    4 o  179.883   12.695  413.165   56.661  420.938   75.390  403.073   85.896  180.037   16.969  174.837   20.035 5.199799 26.25569 
1 1 1  -25    4    5 o   57.920   18.288   43.112   29.586   30.001   36.311   69.011   51.033   53.884   20.105   73.033   24.100 -19.14916 31.38509 
1 1 1  -25    4    6 o  184.339   12.129  432.910   55.522  450.994   74.324  410.075   83.518  186.780   16.092  176.755   19.232 10.02538 25.07616 
1 1 1  -25    4    7 o  298.773   12.826  1134.79   95.695  1227.07  131.893  1032.21  139.058  308.062   17.214  280.803   19.961 27.25900 26.35815 
1 1 1  -25    4    8 o  101.405   14.837  134.080   36.460  112.549   46.066  170.186   59.653   91.116   20.715  112.044   22.106 -20.92749 30.29445 
1 1 1  -25    4    9 o  302.731   12.909  1165.77   97.587  1173.42  135.095  1157.43  141.119  300.590   18.082  297.886   19.071 2.703827 26.28014 
1 1 1  -25    4   10 o  107.777   13.916  150.526   36.580  108.115   46.213  221.680   59.858   89.132   21.091  129.356   19.105 -40.22401 28.45799 
1 1 1  -25    4   11 o  270.897   11.964  931.652   80.935  915.404  110.949  950.131  118.325  265.930   16.794  270.469   17.615 -4.538727 24.33747 
1 1 1  -25    4   12 o   99.951   14.910  130.622   36.076  128.146   46.155  134.512   57.838   97.514   19.633   98.668   23.758 -1.153709 30.82089 
1 1 1  -25    4   13 o   64.579   20.562   54.363   37.340   65.171   38.639 -98.3674  145.250   69.743   20.693   70.290   32.933 -0.5470428 38.89499 
1 1 1  -25    4   14 f  225.274   17.365  661.420   96.934  624.856  112.349  767.913  191.736  216.840   21.012  229.788   34.478 -12.94756 40.37566 
1 1 1  -25    4   15 o  184.012   17.052  442.256   77.464  414.648   86.282  556.992  175.896  176.743   19.895  191.734   38.080 -14.99046 42.96391 
1 1 1  -25    4   16 o  131.639   17.579  228.896   56.343  213.703   60.093  339.335  162.022  126.264   19.702  145.063   42.192 -18.79878 46.56524 
1 1 1  -25    4   17 o  175.973   16.691  404.995   72.468  354.913   79.295  658.857  178.526  163.107   19.879  210.569   35.193 -47.46198 40.41983 
1 1 1  -25    4   18 o   57.686   19.596   41.557   33.712   39.539   34.535   82.418  155.389   56.974   19.816   93.466   39.279 -36.49193 43.99416 
1 1 1  -25    4   19 o  164.919   17.620  358.935   71.442  364.185   78.095  332.001  176.879  165.274   19.285  139.722   44.780 25.55252 48.75610 
1 1 1  -25    4   20 o  106.647   18.461  153.144   47.384  140.010   49.405  303.879  167.368  101.160   20.264  134.094   43.615 -32.93360 48.09276 
1 1 1  -25    4   21 o   76.735   19.726   81.021   38.007   67.669   38.955  345.118  173.257   70.376   20.751  141.490   44.193 -71.11409 48.82272 
1 1 1  -25    4   22 o  151.733   17.744  306.224   65.962  300.601   70.210  348.521  192.552  149.529   19.250  138.608   46.834 10.92007 50.63590 
1 1 1  -25    5    1 o  154.736   13.043  307.354   49.928  315.965   65.194  295.140   77.645  155.426   17.079  148.186   21.619 7.240005 27.55104 
1 1 1  -25    5    2 o  104.721   14.820  143.142   37.674  121.103   47.171  181.963   62.606   94.404   20.589  115.498   22.515 -21.09456 30.50986 
1 1 1  -25    5    3 o  164.687   12.306  346.617   50.244  342.466   66.048  352.319   77.408  162.211   16.536  163.358   19.352 -1.147446 25.45482 
1 1 1  -25    5    4 o  250.748   11.905  798.243   74.544  843.314  100.729  743.672  110.838  255.655   15.856  238.477   18.763 17.17764 24.56589 
1 1 1  -25    5    5 o   80.311   17.614   86.475   34.353   87.864   43.059   84.043   56.981   80.345   21.166   79.299   25.416 1.046410 33.07546 
1 1 1  -25    5    6 o  104.964   15.180  143.917   38.634  147.361   49.505  138.553   61.788  104.800   19.638   99.930   24.862 4.870506 31.68198 
1 1 1  -25    5    7 o   96.108   15.719  121.451   36.421  149.915   46.491   76.228   58.600  106.219   18.181   76.672   25.837 29.54687 31.59277 
1 1 1  -25    5    8 o  121.528   13.966  190.912   41.614  226.085   54.337  141.016   64.718  131.392   16.956  100.584   25.678 30.80839 30.77101 
1 1 1  -25    5    9 o  214.029   12.156  583.735   64.703  614.078   87.659  547.415   95.903  217.851   16.230  204.289   19.017 13.56215 25.00139 
1 1 1  -25    5   10 o  103.591   14.699  139.952   36.958  150.199   47.244  123.794   59.328  106.165   18.492   94.417   24.831 11.74849 30.96057 
1 1 1  -25    5   11 o  320.703   12.547  1308.87  100.485  1354.21  138.809  1258.95  145.651  323.089   17.267  310.351   18.883 12.73856 25.58778 
1 1 1  -25    5   12 o  226.203   17.953  668.172  100.578  668.630  116.976  666.874  196.977  224.424   21.121  210.301   38.942 14.12379 44.30131 
1 1 1  -25    5   13 o  140.407   18.316  260.392   62.690  273.867   67.870  182.086  163.611  143.571   19.429  112.777   42.556 30.79459 46.78157 
1 1 1  -25    5   14 o  135.178   17.955  241.367   59.110  235.813   63.264  279.538  165.860  132.891   19.657  132.007   43.442 0.8833313 47.68213 
1 1 1  -25    5   15 o  191.366   17.542  479.695   82.895  474.075   93.174  501.033  181.552  188.902   20.059  178.048   41.586 10.85373 46.17047 
1 1 1  -25    5   16 o  124.509   18.200  206.080   54.917  204.227   58.322  220.571  163.119  123.367   19.586  118.976   42.907 4.390366 47.16618 
1 1 1  -25    5   17 o  320.655   18.566  1351.15  148.026  1150.70  179.076  1783.57  263.026  290.081   24.964  354.974   29.952 -64.89264 38.99158 
1 1 1  -25    5   18 o  137.715   18.042  251.740   60.552  248.550   64.503  275.421  175.733  136.154   19.531  128.599   44.702 7.555359 48.78192 
1 1 1  -25    5   19 o   77.762   19.995   83.030   39.044   77.082   40.246  178.148  160.940   74.919   20.783  109.492   41.993 -34.57317 46.85430 
1 1 1  -25    5   20 o   76.873   20.038   81.283   38.858   70.967   39.928  266.132  169.016   72.008   20.945  125.936   43.835 -53.92867 48.58237 
1 1 1  -25    5   21 o   52.302   18.878   31.492   31.584   34.589   32.159 -52.7756  167.748   53.890   19.093   78.236   36.228 -24.34652 40.95120 
1 1 1  -25    5   22 o  156.362   46.578  439.420  195.474   0.0000   0.0000  439.420  195.474  ?   ?   156.362   46.578 0.000000 46.57810 
1 1 1  -25    6    1 o  122.076   14.284  193.575   42.722  219.557   54.985  153.996   67.864  128.919   17.535  104.415   26.099 24.50369 31.44204 
1 1 1  -25    6    2 o  108.331   15.025  153.481   39.552  129.889   49.756  193.982   65.191   97.512   21.050  118.987   22.770 -21.47398 31.00903 
1 1 1  -25    6    3 o  170.591   12.647  372.772   53.493  356.402   69.795  396.080   83.282  165.038   17.187  172.905   19.636 -7.867722 26.09578 
1 1 1  -25    6    4 o  247.522   12.039  779.086   74.411  779.657   99.769  778.369  111.707  245.240   16.386  243.827   18.484 1.413376 24.70098 
1 1 1  -25    6    5 o   92.387   16.101  112.908   35.797  114.326   45.061  110.482   58.934   91.734   20.216   89.172   25.297 2.561356 32.38204 
1 1 1  -25    6    6 o   42.297   17.100   11.093   27.973   8.5326   33.820   16.638   49.774   44.641   18.508   54.740   22.552 -10.09848 29.17443 
1 1 1  -25    6    7 o   71.680   18.054   69.258   32.298   79.229   40.580   52.024   53.349   76.343   20.745   67.042   24.483 9.301315 32.08974 
1 1 1  -25    6    8 o  169.155   12.906  366.641   54.105  408.527   71.978  312.229   82.038  177.243   16.450  152.228   22.237 25.01454 27.65990 
1 1 1  -25    6    9 o   82.302   17.287   90.742   34.398  104.440   43.533   67.976   56.122   87.605   20.297   73.163   25.271 14.44228 32.41307 
1 1 1  -25    6   10 o  126.112   18.493  210.891   56.509  197.825   60.020  312.865  167.678  121.263   20.555  139.732   43.448 -18.46881 48.06505 
1 1 1  -25    6   11 o   52.592   19.703   28.547   34.944   21.162   35.834  171.697  157.762   50.085   19.647  110.445   41.761 -60.35999 46.15218 
1 1 1  -25    6   12 o   95.059   20.535  123.048   47.322  137.481   49.652 -19.9704  156.296  100.629   20.456   81.080   36.547 19.54887 41.88226 
1 1 1  -25    6   13 o  164.772   17.645  356.463   71.475  348.130   78.211  398.683  176.047  161.827   19.765  156.861   43.450 4.965851 47.73426 
1 1 1  -25    6   14 o   96.088   20.067  125.529   46.596  126.361   48.697  116.506  160.367   96.139   20.882  100.313   40.804 -4.174393 45.83705 
1 1 1  -25    6   15 o  141.544   18.361  265.554   63.369  270.870   67.993  230.409  174.823  142.399   19.644  120.972   44.298 21.42738 48.45811 
1 1 1  -25    6   16 o  134.389   17.928  239.355   58.665  229.756   62.501  310.433  170.073  130.846   19.742  136.917   43.913 -6.070480 48.14695 
1 1 1  -25    6   17 o  228.381   18.036  685.902  102.024  664.510  117.024  753.668  208.284  222.580   21.315  220.641   39.240 1.939148 44.65559 
1 1 1  -25    6   18 o  157.628   17.795  328.490   68.820  321.200   74.093  374.305  185.742  154.967   19.584  147.558   45.704 7.408371 49.72280 
1 1 1  -25    6   19 o  122.406   18.864  201.128   55.808  207.587   58.804  142.537  177.109  124.045   19.638  104.481   42.733 19.56419 47.02959 
1 1 1  -25    6   20 o   43.490   17.728   11.348   30.354   12.427   30.875 -19.8400  165.989   44.166   17.927   81.446   37.088 -37.28014 41.19373 
1 1 1  -25    6   21 o   75.934   35.504 -75.0549  167.314   0.0000   0.0000 -75.0549  167.314  ?   ?    75.934   35.504 0.000000 35.50415 
1 1 1  -25    7    1 o   70.980   22.244   67.761   43.853   61.800   45.347  153.749  172.230   68.663   22.721  106.639   42.671 -37.97635 48.34264 
1 1 1  -25    7    2 o  103.624   21.110  146.941   52.772  138.393   55.391  230.972  173.672   99.906   22.716  120.680   44.158 -20.77466 49.65822 
1 1 1  -25    7    3 o  251.612   18.423  831.613  114.952  756.495  132.815  1055.89  229.492  236.906   22.729  267.480   35.214 -30.57385 41.91216 
1 1 1  -25    7    4 o  114.368   19.926  176.329   54.840  163.586   57.794  291.492  173.742  109.263   21.944  133.364   44.490 -24.10143 49.60710 
1 1 1  -25    7    5 o   97.140   21.270  129.249   50.166  122.986   52.490  195.320  170.485   94.311   22.586  114.843   43.416 -20.53251 48.93905 
1 1 1  -25    7    6 o   40.113   17.529  -4.7818   33.272  -3.9192   33.979 -24.8587  163.924   40.790   17.773   82.025   37.158 -41.23507 41.18970 
1 1 1  -25    7    7 o  265.772   17.977  923.352  118.607  803.146  138.276  1258.04  230.730  244.397   22.925  297.377   31.552 -52.98062 39.00119 
1 1 1  -25    7    8 o  194.390   18.368  496.602   88.107  524.111   99.793  399.354  187.630  198.608   20.412  155.290   45.472 43.31729 49.84334 
1 1 1  -25    7    9 o  163.023   17.542  348.798   70.288  316.483   76.358  528.151  179.888  153.923   20.366  184.620   40.161 -30.69725 45.02991 
1 1 1  -25    7   10 o  114.747   19.642  176.917   54.259  171.926   57.178  222.085  172.012  112.490   21.131  120.031   43.942 -7.540131 48.75892 
1 1 1  -25    7   11 o  134.209   18.207  238.559   59.444  213.503   63.163  432.731  175.835  125.757   20.843  164.227   42.536 -38.46989 47.36819 
1 1 1  -25    7   12 o  177.476   17.708  413.574   77.432  390.981   84.612  530.003  192.079  171.292   20.167  181.770   42.991 -10.47783 47.48577 
1 1 1  -25    7   13 o   58.123   20.219   41.091   35.955   40.537   36.913   51.348  158.838   58.136   20.470   90.102   38.842 -31.96664 43.90582 
1 1 1  -25    7   14 o  154.396   18.335  315.423   69.311  327.717   75.050  244.138  180.715  156.805   19.594  123.317   45.056 33.48801 49.13240 
1 1 1  -25    7   15 o  134.454   17.927  239.661   58.691  221.391   62.337  382.261  174.159  128.197   20.136  151.985   43.611 -23.78880 48.03509 
1 1 1  -25    7   16 o  100.427   20.213  137.535   48.936  142.355   51.102   84.259  169.888  101.999   20.769   95.793   40.705 6.205795 45.69674 
1 1 1  -25    7   17 o  157.508   18.410  329.212   71.046  352.681   77.212  199.628  181.433  162.573   19.402  114.365   44.390 48.20834 48.44483 
1 1 1  -25    7   18 o  207.269   17.803  566.048   91.250  540.307  102.046  668.757  203.839  200.682   20.658  204.397   41.356 -3.714722 46.22827 
1 1 1  -25    7   19 o  228.289   17.473  685.466   98.853  599.180  110.597  1028.28  220.443  210.791   21.303  262.385   34.479 -51.59436 40.52906 
1 1 1  -25    7   20 o  203.726   17.660  547.934   88.953  502.445   98.143  757.274  210.539  193.125   20.671  218.070   40.141 -24.94569 45.15096 
1 1 1  -25    7   21 o   85.755   20.352  101.765   42.928  106.046   44.289   35.312  174.494   87.478   20.613   88.586   39.366 -1.108566 44.43591 
1 1 1  -25    8    1 o   93.088   21.994  120.590   50.314  110.299   52.464  238.486  177.582   88.622   23.371  120.286   44.544 -31.66410 50.30319 
1 1 1  -25    8    2 o   93.451   22.124  121.423   50.831  117.551   53.051  164.789  177.551   91.613   23.173  108.072   43.296 -16.45817 49.10741 
1 1 1  -25    8    3 o  297.221   18.441  1163.15  136.197  958.404  160.100  1699.40  259.100  264.525   24.515  344.939   30.390 -80.41403 39.04568 
1 1 1  -25    8    4 o  104.308   22.019  150.137   55.553  177.063   58.555 -92.4597  175.759  113.770   21.396   77.196   36.188 36.57449 42.03952 
1 1 1  -25    8    5 o  104.186   21.398  148.951   53.808  160.860   56.547   34.872  175.011  108.255   21.673   90.346   39.820 17.90910 45.33623 
1 1 1  -25    8    6 o  102.058   21.023  142.565   51.795  141.531   54.245  153.238  174.313  101.280   22.072  107.040   42.894 -5.760086 48.23919 
1 1 1  -25    8    7 o  323.331   19.228  1377.83  154.549  1202.08  187.490  1750.43  272.984  295.997   25.618  349.608   31.610 -53.61060 40.68760 
1 1 1  -25    8    8 o  141.761   18.620  266.949   64.322  256.061   68.792  342.664  181.405  137.895   20.610  142.814   45.305 -4.919601 49.77248 
1 1 1  -25    8    9 o  136.171   18.571  246.503   61.504  228.971   65.489  377.549  179.049  130.161   20.852  150.598   44.512 -20.43748 49.15419 
1 1 1  -25    8   10 o   64.366   21.086   53.796   39.094   43.477   40.214  231.434  166.845   60.216   21.348  120.912   43.418 -60.69626 48.38300 
1 1 1  -25    8   11 o  155.794   17.970  320.502   68.629  287.969   73.632  535.795  189.417  146.286   20.737  182.712   42.342 -36.42570 47.14773 
1 1 1  -25    8   12 o  234.009   18.175  719.756  105.377  677.502  120.669  855.488  216.274  224.580   21.791  237.394   37.746 -12.81450 43.58443 
1 1 1  -25    8   13 o  135.332   18.507  243.721   60.905  224.570   64.266  412.577  190.828  128.864   20.670  155.658   45.937 -26.79373 50.37355 
1 1 1  -25    8   14 o  203.563   17.509  544.118   88.140  488.564   97.576  790.398  205.447  190.915   20.804  227.981   37.383 -37.06580 42.78176 
1 1 1  -25    8   15 o  132.195   18.538  233.085   59.516  220.826   62.791  341.467  186.707  127.801   20.358  140.829   46.079 -13.02756 50.37561 
1 1 1  -25    8   16 o  137.884   18.091  252.726   60.787  234.453   64.443  400.179  183.061  131.755   20.234  153.277   44.924 -21.52299 49.27060 
1 1 1  -25    8   17 o   48.844   18.942   21.801   33.016   25.856   33.651 -82.7204  170.847   50.734   19.262   76.574   35.827 -25.83997 40.67665 
1 1 1  -25    8   18 o   61.657   20.557   49.002   37.095   55.538   37.959 -89.7775  174.918   64.754   20.744   76.666   35.991 -11.91166 41.54079 
1 1 1  -25    8   19 o  115.863   18.367  180.333   51.369  151.180   53.407  540.597  187.746  104.728   21.150  181.098   42.283 -76.36950 47.27760 
1 1 1  -25    8   20 o  212.014   45.052  761.554  231.167   0.0000   0.0000  761.554  231.167  ?   ?   212.014   45.052 0.000000 45.05197 
1 1 1  -25    8   21 o  191.139   20.320  492.921   95.503  492.921   95.503   0.0000   0.0000  191.139   20.320  ?   ?  0.000000 20.32030 
1 1 1  -25    9    1 o   92.900   22.748  121.428   52.350  132.059   54.505  -5.0928  188.027   96.876   22.893   86.353   39.381 10.52322 45.55169 
1 1 1  -25    9    2 o  104.335   21.988  151.320   55.482  160.940   58.238   56.863  182.485  107.481   22.424   92.559   40.734 14.92212 46.49809 
1 1 1  -25    9    3 o   72.885   22.532   72.605   45.167   72.248   46.671   77.888  179.423   72.833   22.966   95.052   41.128 -22.21876 47.10585 
1 1 1  -25    9    4 o  252.934   19.291  849.960  120.928  835.831  140.372  890.626  238.151  247.784   22.946  234.941   42.141 12.84291 47.98294 
1 1 1  -25    9    5 o  118.794   20.299  191.706   58.055  174.253   60.887  366.332  192.600  112.140   22.525  144.204   46.782 -32.06397 51.92181 
1 1 1  -25    9    6 o  154.596   17.931  316.649   67.939  259.565   72.208  757.091  200.572  137.986   21.669  222.149   37.490 -84.16275 43.30206 
1 1 1  -25    9    7 o  185.402   17.840  453.431   81.576  400.240   89.122  728.196  202.559  172.250   21.165  216.512   38.894 -44.26169 44.27969 
1 1 1  -25    9    8 o   98.449   21.124  133.358   50.378  128.769   52.529  185.960  177.851   96.287   22.287  111.865   43.802 -15.57848 49.14571 
1 1 1  -25    9    9 o  244.066   18.450  785.497  111.620  723.979  127.834  982.917  229.002  231.395   22.403  254.396   37.143 -23.00139 43.37601 
1 1 1  -25    9   10 o   83.848   21.737   97.394   45.892   87.214   47.440  245.880  181.171   79.387   22.756  122.546   45.062 -43.15878 50.48140 
1 1 1  -25    9   11 o  205.437   17.189  553.647   87.369  442.404   95.541  1121.77  215.911  181.010   21.561  278.564   31.597 -97.55385 38.25254 
1 1 1  -25    9   12 o   92.983   21.292  119.380   48.375  110.673   50.117  238.120  185.073   89.135   22.511  121.001   45.342 -31.86618 50.62236 
1 1 1  -25    9   13 o  148.129   18.439  291.800   66.730  278.775   71.066  388.866  193.999  143.808   20.358  149.134   46.794 -5.325821 51.03039 
1 1 1  -25    9   14 o  187.881   17.506  464.881   81.186  397.544   87.815  861.020  212.995  171.752   20.906  237.502   37.128 -65.75003 42.60963 
1 1 1  -25    9   15 o   96.757   20.764  128.791   48.669  119.143   50.486  255.678  183.084   92.520   22.146  123.635   45.324 -31.11500 50.44476 
1 1 1  -25    9   16 o   88.480   21.351  108.563   46.635  125.368   48.297 -122.9803  179.273   95.359   20.862   74.882   35.538 20.47731 41.20918 
1 1 1  -25    9   17 f  145.124   18.671  281.352   66.094  287.647   70.272  233.077  194.604  146.212   19.752  119.053   46.039 27.15876 50.09696 
1 1 1  -25    9   18 o  119.302   19.244  192.290   55.380  187.768   57.993  239.115  186.602  117.261   20.554  119.662   45.377 -2.400772 49.81506 
1 1 1  -25    9   19 o  240.020   18.831  765.819  111.963  745.679  127.428  834.015  234.481  234.243   22.044  224.254   43.441 9.989655 48.71353 
1 1 1  -25    9   20 o   42.303   17.685   6.8765   31.245   9.4246   31.676 -84.8930  190.098   43.424   17.950   79.356   37.339 -35.93201 41.42929 
1 1 1  -25   10    1 o   96.629   22.712  131.949   53.878  117.578   55.820  327.723  206.033   90.647   24.204  131.485   48.099 -40.83812 53.84542 
1 1 1  -25   10    2 o  162.567   19.159  355.358   76.284  342.506   82.221  434.832  204.455  158.244   21.352  152.428   48.070 5.815811 52.59866 
1 1 1  -25   10    3 o  106.243   21.510  156.665   55.109  152.039   57.432  210.394  195.737  104.065   22.736  113.790   45.505 -9.724770 50.86838 
1 1 1  -25   10    4 o  125.230   20.748  214.445   62.611  217.542   66.022  186.780  197.329  125.581   21.846  110.755   45.181 14.82664 50.18566 
1 1 1  -25   10    5 o  236.127   18.549  739.972  108.495  658.108  121.908  1051.78  237.919  219.555   22.556  260.014   37.745 -40.45918 43.97115 
1 1 1  -25   10    6 o  245.127   19.112  799.302  116.063  755.587  132.464  943.768  240.807  235.267   22.834  242.064   41.320 -6.796204 47.21002 
1 1 1  -25   10    7 o  187.352   17.583  463.685   81.300  370.706   87.459  1054.99  220.557  164.981   21.759  265.771   34.013 -100.7896 40.37741 
1 1 1  -25   10    8 o   79.777   22.371   88.564   46.367   99.277   47.968 -63.9500  180.987   84.299   22.403   80.053   37.261 4.246002 43.47735 
1 1 1  -25   10    9 o  169.595   18.510  382.475   77.120  366.843   83.201  477.846  205.508  164.850   20.665  163.997   47.466 0.8534393 51.76912 
1 1 1  -25   10   10 o  151.482   18.359  305.501   68.029  269.689   72.336  579.633  200.133  140.766   21.239  186.473   43.735 -45.70638 48.61950 
1 1 1  -25   10   11 o  159.538   18.380  338.499   71.884  291.901   76.047  729.505  220.289  146.443   21.429  210.686   43.317 -64.24318 48.32804 
1 1 1  -25   10   12 o  152.900   18.597  311.674   69.544  292.977   74.116  449.372  201.136  147.073   20.757  159.157   47.211 -12.08443 51.57261 
1 1 1  -25   10   13 o  169.238   18.598  381.099   77.301  374.584   83.451  420.478  205.165  166.712   20.476  152.512   48.159 14.19971 52.33146 
1 1 1  -25   10   14 o  133.279   18.934  238.346   61.244  222.046   64.415  391.781  197.628  127.604   20.942  147.833   47.329 -20.22865 51.75497 
1 1 1  -25   10   15 o  120.062   18.911  194.161   54.822  162.715   56.965  588.746  201.787  108.454   21.790  187.399   43.891 -78.94505 49.00182 
1 1 1  -25   10   16 o  147.243   18.719  289.983   67.273  287.252   71.548  310.812  197.584  145.769   20.198  131.843   47.259 13.92635 51.39440 
1 1 1  -25   10   17 o  190.157   17.821  478.864   83.636  429.980   90.683  757.247  216.401  178.332   20.751  215.655   41.692 -37.32275 46.57071 
1 1 1  -25   10   18 o  172.643   18.656  397.874   79.151  408.072   85.759  339.245  205.629  173.979   20.110  135.472   48.249 38.50626 52.27172 
1 1 1  -25   10   19 o  164.502   19.000  362.891   76.613  366.467   82.528  340.595  206.078  164.386   20.553  135.054   48.280 29.33203 52.47259 
1 1 1  -25   11    1 o  110.640   22.552  172.813   60.195  170.708   62.991  194.951  204.294  109.294   23.758  109.060   45.375 0.2333679 51.21849 
1 1 1  -25   11    2 o  118.784   21.850  196.796   62.425  195.111   65.540  213.273  204.934  117.539   23.153  112.260   45.948 5.279121 51.45131 
1 1 1  -25   11    3 o  146.066   19.741  289.731   70.162  278.259   74.636  376.925  205.759  141.926   21.752  139.663   48.380 2.263245 53.04516 
1 1 1  -25   11    4 o   75.753   23.226   80.064   48.107   80.558   49.663   72.550  193.693   76.004   23.648   94.456   41.748 -18.45180 47.98039 
1 1 1  -25   11    5 o  149.351   19.189  300.687   69.910  273.269   74.075  524.132  211.466  140.847   21.762  168.553   47.954 -27.70639 52.66058 
1 1 1  -25   11    6 o  137.464   19.558  255.741   65.243  226.663   68.606  530.695  210.966  127.838   22.302  170.561   47.679 -42.72337 52.63683 
1 1 1  -25   11    7 o  151.770   19.337  310.147   71.620  291.920   76.279  445.831  208.121  145.922   21.584  154.639   48.458 -8.717010 53.04795 
1 1 1  -25   11    8 o   89.245   22.629  112.089   50.502  111.049   52.327  126.219  192.874   88.628   23.326  101.941   43.345 -13.31388 49.22300 
1 1 1  -25   11    9 o   78.130   22.582   85.148   46.543   92.059   47.968 -26.0068  192.378   81.042   22.763   85.067   39.180 -4.024666 45.31263 
1 1 1  -25   11   10 o  163.405   18.677  356.739   74.843  334.309   79.890  517.640  213.974  156.859   20.916  168.509   48.336 -11.64972 52.66745 
1 1 1  -25   11   11 o  139.028   19.425  260.570   65.598  245.810   68.953  401.260  212.884  133.992   21.322  146.223   49.246 -12.23010 53.66332 
1 1 1  -25   11   12 o   60.467   21.693   44.100   41.639   48.558   42.521 -60.1271  205.584   62.443   21.972   84.482   39.452 -22.03931 45.15828 
1 1 1  -25   11   13 o  105.442   21.136  153.555   53.715  165.818   55.882   4.6146  194.755  109.654   21.174   88.541   40.263 21.11304 45.49121 
1 1 1  -25   11   14 o   98.312   21.558  134.421   51.467  143.399   53.463   20.851  190.145  101.540   21.740   89.413   40.306 12.12690 45.79528 
1 1 1  -25   11   15 o  216.791   18.771  625.865  100.615  594.406  111.009  770.643  238.147  209.197   21.559  210.770   46.495 -1.573135 51.24964 
1 1 1  -25   11   16 o  207.492   17.796  570.363   91.318  490.074   99.438  1002.59  230.718  189.881   21.341  253.271   37.622 -63.39015 43.25344 
1 1 1  -25   11   17 o  222.097   18.232  655.314  100.225  586.944  110.231  981.447  240.751  207.667   21.571  246.380   40.541 -38.71243 45.92220 
1 1 1  -25   12    5 o  155.342   19.427  327.092   73.713  313.565   78.474  428.527  214.896  150.808   21.442  146.703   49.477 4.105011 53.92359 
1 1 1  -25   12    6 o  135.084   20.072  249.227   65.650  227.494   69.010  456.247  212.991  127.614   22.476  152.944   49.152 -25.32982 54.04716 
1 1 1  -25   12    7 o   86.186   22.939  105.436   50.241   98.477   51.838  213.120  203.923   83.196   23.768  112.886   45.977 -29.69015 51.75668 
1 1 1  -25   12    8 o  103.813   22.345  151.429   56.212  137.855   58.319  329.137  211.011   98.228   23.984  131.143   48.558 -32.91457 54.15782 
1 1 1  -25   12    9 o   98.672   22.090  136.682   53.074  127.697   54.858  268.132  209.822   94.810   23.330  121.650   47.592 -26.83972 53.00222 
1 1 1  -25   12   10 o   69.202   22.184   65.001   43.406   63.344   44.450   99.044  201.469   68.613   22.485   98.603   43.111 -29.98969 48.62184 
1 1 1  -25   12   11 o  157.932   18.748  334.731   72.495  294.466   76.453  693.721  228.282  146.419   21.555  197.407   46.986 -50.98857 51.69452 
1 1 1  -25   12   12 f  124.669   19.845  211.683   59.711  189.906   62.149  473.040  215.301  116.816   22.115  157.619   49.270 -40.80255 54.00546 
1 1 1  -25   12   13 o   93.383   22.194  122.617   50.992  124.665   52.507   88.656  213.805   93.999   22.639   98.866   43.771 -4.867470 49.27934 
1 1 1  -25   12   14 o   59.466   21.198   43.185   39.700   43.817   40.516   27.967  198.866   59.923   21.409   90.642   41.006 -30.71912 46.25868 
1 1 1  -25   12   15 o  185.083   20.862  465.695   94.742  465.695   94.742   0.0000   0.0000  185.083   20.862  ?   ?  0.000000 20.86250 
1 1 1  -24  -29    1 o   69.016   30.145   82.808   98.293   0.0000   0.0000   82.808   98.293  ?   ?    69.016   30.145 0.000000 30.14500 
1 1 1  -24  -28    1 o   76.967   31.711  111.162   98.421   0.0000   0.0000  111.162   98.421  ?   ?    76.967   31.711 0.000000 31.71124 
1 1 1  -24  -28    2 o   68.877   30.159   72.298   98.923   0.0000   0.0000   72.298   98.923  ?   ?    68.877   30.159 0.000000 30.15882 
1 1 1  -24  -28    3 o   61.911   28.237   34.062   96.706   0.0000   0.0000   34.062   96.706  ?   ?    61.911   28.237 0.000000 28.23740 
1 1 1  -24  -27    1 o  118.619   35.741  283.049  114.612   0.0000   0.0000  283.049  114.612  ?   ?   118.619   35.741 0.000000 35.74109 
1 1 1  -24  -27    2 o   59.950   27.605   2.6273   95.422   0.0000   0.0000   2.6273   95.422  ?   ?    59.950   27.605 0.000000 27.60494 
1 1 1  -24  -27    3 o  190.824   33.632  684.773  154.411   0.0000   0.0000  684.773  154.411  ?   ?   190.824   33.632 0.000000 33.63248 
1 1 1  -24  -27    4 o  107.446   36.547  265.565  117.259   0.0000   0.0000  265.565  117.259  ?   ?   107.446   36.547 0.000000 36.54665 
1 1 1  -24  -26    1 o   95.852   17.817  130.352   41.077  321.461  205.175  122.372   41.926  108.526   45.340   92.158   18.854 16.36793 49.10342 
1 1 1  -24  -26    2 o  115.981   35.669  263.212  113.361   0.0000   0.0000  263.212  113.361  ?   ?   115.981   35.669 0.000000 35.66907 
1 1 1  -24  -26    3 o   76.182   31.750   92.507  100.268   0.0000   0.0000   92.507  100.268  ?   ?    76.182   31.750 0.000000 31.75015 
1 1 1  -24  -26    4 o   78.347   32.367  108.370  102.896   0.0000   0.0000  108.370  102.896  ?   ?    78.347   32.367 0.000000 32.36658 
1 1 1  -24  -26    5 o  128.261   36.638  345.595  123.184   0.0000   0.0000  345.595  123.184  ?   ?   128.261   36.638 0.000000 36.63768 
1 1 1  -24  -25    1 o   57.046   19.345   44.202   32.853  189.427  187.516   39.603   33.369   96.892   41.985   55.018   19.453 41.87328 46.27230 
1 1 1  -24  -25    2 o  130.025   15.876  230.927   50.477  331.749  204.832  224.409   52.083  113.032   46.062  127.553   16.757 -14.52158 49.01547 
1 1 1  -24  -25    3 o   94.396   34.457  166.198  105.653   0.0000   0.0000  166.198  105.653  ?   ?    94.396   34.457 0.000000 34.45658 
1 1 1  -24  -25    4 o  120.048   36.557  284.389  119.441   0.0000   0.0000  284.389  119.441  ?   ?   120.048   36.557 0.000000 36.55711 
1 1 1  -24  -25    5 o   52.314   25.088 -68.2949   94.334   0.0000   0.0000 -68.2949   94.334  ?   ?    52.314   25.088 0.000000 25.08762 
1 1 1  -24  -25    6 o   96.536   35.089  193.368  109.404   0.0000   0.0000  193.368  109.404  ?   ?    96.536   35.089 0.000000 35.08949 
1 1 1  -24  -24    1 o  106.663   18.204  158.260   46.747   76.854  187.984  163.626   48.263   86.861   39.521  108.313   18.508 -21.45164 43.64037 
1 1 1  -24  -24    2 o  138.477   15.024  257.489   51.121  516.249  196.273  238.658   52.948  152.942   46.917  132.431   16.358 20.51108 49.68729 
1 1 1  -24  -24    3 o  127.277   16.205  221.010   50.337  396.364  200.275  209.186   52.007  126.904   47.243  123.002   17.418 3.901451 50.35201 
1 1 1  -24  -24    4 o  153.029   34.964  413.905  130.688   0.0000   0.0000  413.905  130.688  ?   ?   153.029   34.964 0.000000 34.96394 
1 1 1  -24  -24    5 o  113.745   36.236  249.263  115.953   0.0000   0.0000  249.263  115.953  ?   ?   113.745   36.236 0.000000 36.23584 
1 1 1  -24  -24    6 o  195.577   31.662  650.913  149.348   0.0000   0.0000  650.913  149.348  ?   ?   195.577   31.662 0.000000 31.66173 
1 1 1  -24  -24    7 o   52.622   25.085 -57.6377   91.325   0.0000   0.0000 -57.6377   91.325  ?   ?    52.622   25.085 0.000000 25.08471 
1 1 1  -24  -23    1 f  112.438   16.950  172.110   46.115   42.001  172.220  182.159   47.862   83.455   37.916  115.650   17.087 -32.19541 41.58833 
1 1 1  -24  -23    2 o   58.770   19.484   46.618   33.341   62.536  177.706   46.037   33.944   85.581   38.736   58.581   19.664 27.00022 43.44149 
1 1 1  -24  -23    3 o  102.882   18.039  146.971   44.655  263.754  185.830  139.815   46.003  111.185   44.381   99.661   19.181 11.52400 48.34852 
1 1 1  -24  -23    4 o  143.102   15.525  275.784   54.589  327.520  177.363  270.370   57.374  121.830   44.618  140.949   16.620 -19.11856 47.61273 
1 1 1  -24  -23    5 o   72.835   31.023   56.857   99.108   0.0000   0.0000   56.857   99.108  ?   ?    72.835   31.023 0.000000 31.02267 
1 1 1  -24  -23    6 o   60.237   27.334  -3.6909   89.157   0.0000   0.0000  -3.6909   89.157  ?   ?    60.237   27.334 0.000000 27.33401 
1 1 1  -24  -23    7 o   56.185   26.161 -30.2642   89.352   0.0000   0.0000 -30.2642   89.352  ?   ?    56.185   26.161 0.000000 26.16111 
1 1 1  -24  -23    8 o   88.522   33.944  144.568  105.148   0.0000   0.0000  144.568  105.148  ?   ?    88.522   33.944 0.000000 33.94430 
1 1 1  -24  -22    1 o  126.432   19.047  219.419   58.270   71.109  169.054  239.414   62.073   88.090   38.965  131.928   19.423 -43.83840 43.53749 
1 1 1  -24  -22    2 o   73.304   19.672   75.762   36.762  150.976  166.633   71.914   37.690   97.863   40.870   71.377   20.223 26.48542 45.59993 
1 1 1  -24  -22    3 o   77.054   19.291   83.827   37.034   76.805  175.693   84.154   37.885   88.013   39.280   77.089   19.628 10.92416 43.91090 
1 1 1  -24  -22    4 o  119.846   15.837  193.515   46.237  288.366  166.948  185.635   48.119  119.316   43.350  116.714   17.010 2.602516 46.56762 
1 1 1  -24  -22    5 f   95.243   18.040  126.271   41.335   58.244  157.861  131.279   42.829   82.411   36.973   96.990   18.355 -14.57916 41.27894 
1 1 1  -24  -22    6 o   83.607   32.689  106.671   98.949   0.0000   0.0000  106.671   98.949  ?   ?    83.607   32.689 0.000000 32.68948 
1 1 1  -24  -22    7 o   97.222   34.069  166.296  102.176   0.0000   0.0000  166.296  102.176  ?   ?    97.222   34.069 0.000000 34.06917 
1 1 1  -24  -22    8 o  219.754   31.172  791.142  166.269   0.0000   0.0000  791.142  166.269  ?   ?   219.754   31.172 0.000000 31.17241 
1 1 1  -24  -22    9 o   79.012   31.865   96.879   96.868   0.0000   0.0000   96.879   96.868  ?   ?    79.012   31.865 0.000000 31.86474 
1 1 1  -24  -21    1 o   90.577   18.846  113.144   41.239  226.503  161.754  105.263   42.649  113.768   42.437   86.824   20.072 26.94399 46.94427 
1 1 1  -24  -21    2 o   87.429   20.575  107.554   44.173   59.481  162.820  111.373   45.895   86.863   38.340   88.811   21.021 -1.947624 43.72459 
1 1 1  -24  -21    3 o  132.343   16.469  234.653   53.251   50.948  161.332  257.114   56.413   84.936   37.793  138.510   16.643 -53.57415 41.29491 
1 1 1  -24  -21    4 o   71.886   18.631   72.231   33.720  126.070  154.979   69.555   34.548   93.734   39.301   70.458   19.139 23.27529 43.71316 
1 1 1  -24  -21    5 o   65.631   19.214   60.156   33.504   63.145  159.251   60.018   34.271   84.737   37.633   65.560   19.497 19.17672 42.38398 
1 1 1  -24  -21    6 o  159.661   14.829  338.552   58.447  411.235  176.063  329.550   61.961  142.837   44.539  156.713   16.060 -13.87553 47.34603 
1 1 1  -24  -21    7 o   82.227   32.340   98.139   97.328   0.0000   0.0000   98.139   97.328  ?   ?    82.227   32.340 0.000000 32.33975 
1 1 1  -24  -21    8 o  112.641   34.701  223.230  107.240   0.0000   0.0000  223.230  107.240  ?   ?   112.641   34.701 0.000000 34.70104 
1 1 1  -24  -21    9 o   52.698   25.036 -65.4320   89.418   0.0000   0.0000 -65.4320   89.418  ?   ?    52.698   25.036 0.000000 25.03565 
1 1 1  -24  -21   10 o   86.933   33.483  128.717  102.613   0.0000   0.0000  128.717  102.613  ?   ?    86.933   33.483 0.000000 33.48331 
1 1 1  -24  -20    1 o   70.813   20.371   69.127   37.956  177.645  161.039   62.744   39.056  106.919   41.731   67.871   20.947 39.04798 46.69331 
1 1 1  -24  -20    2 o  150.966   17.737  304.703   65.593  360.195  171.070  295.139   71.021  141.843   43.850  147.391   19.796 -5.547501 48.11114 
1 1 1  -24  -20    3 o  180.933   14.833  428.983   66.428  298.967  168.494  452.910   72.283  128.010   43.808  185.382   15.764 -57.37201 46.55794 
1 1 1  -24  -20    4 o  258.759   14.618  875.607   94.070  875.663  211.777  875.593  104.996  231.818   37.893  257.240   16.431 -25.42218 41.30154 
1 1 1  -24  -20    5 o  155.359   14.539  317.680   55.750  221.335  168.300  329.555   59.086  110.783   42.822  157.905   15.171 -47.12223 45.42990 
1 1 1  -24  -20    6 o  146.337   15.257  284.275   54.933  327.779  173.995  279.459   57.894  129.062   44.502  144.466   16.335 -15.40431 47.40491 
1 1 1  -24  -20    7 o   70.964   29.287   51.279   84.127  111.218  162.124   29.192   98.414   91.303   39.301   69.800   30.331 21.50260 49.64357 
1 1 1  -24  -20    8 o   81.840   32.799   91.890  101.936   0.0000   0.0000   91.890  101.936  ?   ?    81.840   32.799 0.000000 32.79911 
1 1 1  -24  -20    9 o   97.596   34.296  162.037  103.577   0.0000   0.0000  162.037  103.577  ?   ?    97.596   34.296 0.000000 34.29618 
1 1 1  -24  -20   10 o  151.587   34.505  391.988  127.681   0.0000   0.0000  391.988  127.681  ?   ?   151.587   34.505 0.000000 34.50462 
1 1 1  -24  -20   11 o   77.240   31.954   80.218  100.487   0.0000   0.0000   80.218  100.487  ?   ?    77.240   31.954 0.000000 31.95355 
1 1 1  -24  -19    1 f  193.990   14.242  487.388   68.509  586.443  183.279  471.300   73.863  192.392   39.472  190.012   15.708 2.380524 42.48254 
1 1 1  -24  -19    2 o  177.908   14.530  411.558   63.987  510.723  180.933  397.382   68.408  175.689   41.840  174.117   15.909 1.571991 44.76234 
1 1 1  -24  -19    3 f  319.491   19.604  1364.82  155.651  1450.18  257.698  1315.80  195.301  310.203   33.815  306.487   25.757 3.715942 42.50698 
1 1 1  -24  -19    4 o  204.803   14.489  546.533   73.623  622.632  184.539  532.128   80.290  195.790   39.112  201.082   16.125 -5.291199 42.30607 
1 1 1  -24  -19    5 o  118.437   16.382  187.240   47.153  260.936  160.149  180.245   49.341  121.186   42.642  115.584   17.655 5.601784 46.15191 
1 1 1  -24  -19    6 o  141.850   15.409  266.220   53.704  188.710  162.583  275.713   56.898  106.257   41.796  144.023   16.096 -37.76624 44.78770 
1 1 1  -24  -19    7 o  183.281   14.319  440.612   65.017  459.577  180.192  437.773   69.713  157.118   44.115  181.950   15.490 -24.83209 46.75546 
1 1 1  -24  -19    8 o   89.585   34.072  120.794  105.403   0.0000   0.0000  120.794  105.403  ?   ?    89.585   34.072 0.000000 34.07218 
1 1 1  -24  -19    9 o  105.648   35.281  189.430  109.261   0.0000   0.0000  189.430  109.261  ?   ?   105.648   35.281 0.000000 35.28143 
1 1 1  -24  -19   10 o  157.094   34.561  410.337  131.898   0.0000   0.0000  410.337  131.898  ?   ?   157.094   34.561 0.000000 34.56085 
1 1 1  -24  -19   11 o  217.428   31.097  749.938  164.033   0.0000   0.0000  749.938  164.033  ?   ?   217.428   31.097 0.000000 31.09677 
1 1 1  -24  -19   12 o   70.085   30.484   39.029   99.600   0.0000   0.0000   39.029   99.600  ?   ?    70.085   30.484 0.000000 30.48361 
1 1 1  -24  -18    1 o  139.876   15.875  255.873   54.467  393.454  167.295  239.560   57.606  155.965   42.012  134.624   17.553 21.34108 45.53188 
1 1 1  -24  -18    2 o  156.494   15.242  319.003   58.807  356.425  155.633  312.770   63.516  148.578   40.732  154.289   16.755 -5.711594 44.04285 
1 1 1  -24  -18    3 o  172.843   15.191  389.127   64.903  355.168  162.560  395.567   70.789  146.154   42.191  173.628   16.526 -27.47478 45.31195 
1 1 1  -24  -18    4 o  181.868   17.359  436.899   77.878  449.719  171.336  433.560   87.432  164.779   41.625  179.715   19.811 -14.93639 46.09945 
1 1 1  -24  -18    5 o  166.228   14.892  360.940   61.162  327.218  165.500  366.274   65.822  137.097   43.250  166.907   15.988 -29.81053 46.11058 
1 1 1  -24  -18    6 o  209.838   14.487  573.648   75.445  631.158  186.479  562.391   82.499  196.901   39.302  206.756   16.106 -9.855072 42.47419 
1 1 1  -24  -18    7 o   93.314   17.373  118.271   38.994  104.087  155.725  119.220   40.277   93.017   39.218   93.480   17.906 -0.4632034 43.11211 
1 1 1  -24  -18    8 o  136.653   15.667  247.814   52.497  147.269  166.750  258.876   55.310   99.482   41.159  139.430   16.186 -39.94873 44.22737 
1 1 1  -24  -18    9 o  189.650   31.916  556.125  145.782   0.0000   0.0000  556.125  145.782  ?   ?   189.650   31.916 0.000000 31.91567 
1 1 1  -24  -18   10 o  124.756   36.274  265.508  119.777   0.0000   0.0000  265.508  119.777  ?   ?   124.756   36.274 0.000000 36.27428 
1 1 1  -24  -18   11 o  174.323   33.485  490.399  140.468   0.0000   0.0000  490.399  140.468  ?   ?   174.323   33.485 0.000000 33.48508 
1 1 1  -24  -18   12 o  138.633   35.931  331.860  125.413   0.0000   0.0000  331.860  125.413  ?   ?   138.633   35.931 0.000000 35.93109 
1 1 1  -24  -18   13 o  140.528   38.518  363.238  139.192   0.0000   0.0000  363.238  139.192  ?   ?   140.528   38.518 0.000000 38.51809 
1 1 1  -24  -17    1 o   46.243   18.446   15.649   32.079 -70.5487  144.325   20.129   32.902   72.694   33.641   48.372   18.867 24.32251 38.57094 
1 1 1  -24  -17    2 o  146.975   15.160  280.606   54.842  358.212  151.364  268.879   58.839  151.510   39.574  143.229   16.768 8.281158 42.98007 
1 1 1  -24  -17    3 f  129.894   16.023  221.123   50.871  165.685  146.108  228.770   54.266  107.460   40.283  131.820   16.872 -24.36034 43.67409 
1 1 1  -24  -17    4 o   63.814   19.618   54.205   34.297  134.159  141.009   49.177   35.359  100.302   39.077   61.554   20.048 38.74758 43.91988 
1 1 1  -24  -17    5 o   86.522   20.121  102.960   42.653   3.8688  143.610  112.546   44.668   79.699   35.545   90.476   20.273 -10.77713 40.91999 
1 1 1  -24  -17    6 o  142.057   15.006  263.965   52.426  284.642  154.873  261.289   55.716  130.028   41.926  140.841   16.132 -10.81366 44.92273 
1 1 1  -24  -17    7 f   62.101   19.104   51.778   32.515  134.071  149.969   47.719   33.307   98.816   39.719   60.195   19.447 38.62111 44.22439 
1 1 1  -24  -17    8 o  177.641   14.030  410.898   61.732  556.518  174.363  390.029   66.008  184.542   39.054  172.266   15.510 12.27614 42.02155 
1 1 1  -24  -17    9 o  126.472   15.866  212.536   49.006  214.146  162.699  212.375   51.393  111.461   42.346  126.002   16.748 -14.54145 45.53801 
1 1 1  -24  -17   10 o  245.385   30.334  904.991  181.917   0.0000   0.0000  904.991  181.917  ?   ?   245.385   30.334 0.000000 30.33353 
1 1 1  -24  -17   11 o  155.260   35.340  394.497  133.939   0.0000   0.0000  394.497  133.939  ?   ?   155.260   35.340 0.000000 35.33971 
1 1 1  -24  -17   12 f  135.883   36.374  314.463  125.870   0.0000   0.0000  314.463  125.870  ?   ?   135.883   36.374 0.000000 36.37380 
1 1 1  -24  -17   13 o   65.618   29.623  -2.8226  103.146   0.0000   0.0000  -2.8226  103.146  ?   ?    65.618   29.623 0.000000 29.62281 
1 1 1  -24  -17   14 o   97.326   35.771  163.736  114.148   0.0000   0.0000  163.736  114.148  ?   ?    97.326   35.771 0.000000 35.77120 
1 1 1  -24  -16    1 o  256.144   15.114  843.374   96.247  743.024  196.442  875.072  110.406  226.108   35.998  259.895   17.107 -33.78731 39.85615 
1 1 1  -24  -16    2 o  197.628   14.264  501.937   69.920  595.332  167.985  482.366   76.898  202.752   34.409  192.967   16.105 9.784592 37.99116 
1 1 1  -24  -16    3 o  121.193   15.655  191.837   46.271  366.412  146.060  172.363   48.784  155.183   37.996  114.089   17.696 41.09446 41.91443 
1 1 1  -24  -16    4 o  124.117   15.758  201.485   47.740  222.368  146.530  199.005   50.495  120.108   40.854  122.933   16.895 -2.825348 44.21007 
1 1 1  -24  -16    5 o   60.070   19.696   46.317   34.106   57.794  137.017   45.559   35.214   86.940   36.728   59.936   20.030 27.00430 41.83479 
1 1 1  -24  -16    6 o   63.214   19.606   53.034   34.168   37.322  146.408   53.939   35.138   85.164   37.000   63.766   19.900 21.39788 42.01231 
1 1 1  -24  -16    7 o   60.314   19.201   47.791   32.562   82.288  145.001   45.958   33.416   90.976   38.071   59.564   19.494 31.41224 42.77154 
1 1 1  -24  -16    8 o  222.808   14.552  644.554   80.524  574.599  188.091  660.253   89.103  187.070   41.362  224.635   15.988 -37.56471 44.34507 
1 1 1  -24  -16    9 o   54.816   18.817   37.562   31.092 -10.7753  150.987   39.703   31.773   78.201   35.518   56.005   19.024 22.19601 40.29245 
1 1 1  -24  -16   10 o  173.551   14.785  394.435   63.465  437.895  176.054  387.943   68.040  157.167   43.419  171.385   16.086 -14.21735 46.30266 
1 1 1  -24  -16   11 o  168.655   33.728  445.531  137.087   0.0000   0.0000  445.531  137.087  ?   ?   168.655   33.728 0.000000 33.72799 
1 1 1  -24  -16   13 o   96.257   35.653  148.883  113.778   0.0000   0.0000  148.883  113.778  ?   ?    96.257   35.653 0.000000 35.65314 
1 1 1  -24  -16   14 o  115.546   37.049  234.439  121.068   0.0000   0.0000  234.439  121.068  ?   ?   115.546   37.049 0.000000 37.04941 
1 1 1  -24  -15    1 o   79.886   19.883   86.105   39.508   53.533  130.327   89.401   41.459   86.968   36.218   81.318   20.440 5.649887 41.58717 
1 1 1  -24  -15    2 o  147.736   15.104  281.944   54.937  317.513  147.244  276.192   59.213  144.857   39.580  145.717   16.567 -0.8606873 42.90757 
1 1 1  -24  -15    3 o  137.609   15.001  245.107   50.714  504.589  150.983  212.107   53.842  187.587   33.458  127.107   17.421 60.47958 37.72209 
1 1 1  -24  -15    4 o  415.611   15.912  2222.00  165.142  2629.24  313.989  2066.26  194.167  436.851   28.947  397.820   19.545 39.03082 34.92733 
1 1 1  -24  -15    5 o  143.290   14.996  266.231   52.864  477.184  153.868  237.997   56.291  179.682   35.551  134.635   17.131 45.04720 39.46291 
1 1 1  -24  -15    6 o  178.034   16.285  412.822   71.597  740.590  168.239  340.333   79.119  228.741   30.191  159.690   20.299 69.05096 36.38058 
1 1 1  -24  -15    7 o  228.912   13.104  672.324   74.597  977.479  183.335  611.779   81.663  264.183   28.227  217.349   15.140 46.83330 32.03119 
1 1 1  -24  -15    8 o   60.915   19.442   48.629   33.368   50.937  143.687   48.498   34.306   86.377   37.086   60.999   19.739 25.37790 42.01156 
1 1 1  -24  -15    9 o  101.937   16.947  138.908   41.624  158.384  152.351  137.337   43.270  104.435   40.637  101.017   17.804 3.417961 44.36642 
1 1 1  -24  -15   10 o   57.276   19.286   41.833   32.652   0.0000   0.0000   41.833   32.652  ?   ?    57.276   19.286 0.000000 19.28624 
1 1 1  -24  -15   11 o  116.701   42.913  234.874  164.307  234.874  164.307   0.0000   0.0000  116.701   42.913  ?   ?  0.000000 42.91305 
1 1 1  -24  -15   12 o  190.605   32.694  556.670  150.011   0.0000   0.0000  556.670  150.011  ?   ?   190.605   32.694 0.000000 32.69351 
1 1 1  -24  -15   13 o  161.723   34.956  419.350  137.055   0.0000   0.0000  419.350  137.055  ?   ?   161.723   34.956 0.000000 34.95622 
1 1 1  -24  -15   14 f   78.617   32.972   63.604  109.139   0.0000   0.0000   63.604  109.139  ?   ?    78.617   32.972 0.000000 32.97220 
1 1 1  -24  -15   15 o   80.582   33.420   76.657  110.321   0.0000   0.0000   76.657  110.321  ?   ?    80.582   33.420 0.000000 33.42019 
1 1 1  -24  -14    1 o   64.195   20.054   53.349   35.676   4.5921  133.633   57.091   37.020   80.581   35.174   66.161   20.389 14.42052 40.65639 
1 1 1  -24  -14    2 o  142.812   14.587  262.557   51.291  533.504  145.678  224.217   54.800  195.978   30.781  131.089   17.152 64.88969 35.23745 
1 1 1  -24  -14    3 o  102.259   17.317  137.972   42.643  110.137  134.151  141.101   44.975   98.050   38.139  103.197   18.113 -5.146484 42.22134 
1 1 1  -24  -14    4 o  411.898   16.607  2181.88  170.818  2634.48  322.474  2005.35  201.393  438.160   29.647  391.291   20.684 46.86905 36.14915 
1 1 1  -24  -14    5 o  233.312   14.032  697.309   81.372  795.708  181.692  672.620   91.010  238.086   31.320  228.234   16.071 9.852295 35.20243 
1 1 1  -24  -14    6 o  279.332   17.395  1013.37  120.735  1299.04  214.073  880.118  146.208  307.143   28.227  256.518   23.071 50.62500 36.45576 
1 1 1  -24  -14    7 o  139.185   17.091  254.256   58.154  408.228  151.984  227.847   62.944  163.826   37.903  130.523   19.945 33.30328 42.83024 
1 1 1  -24  -14    8 o  165.397   14.535  353.938   59.425  362.879  158.771  352.481   64.083  150.877   41.048  164.542   15.790 -13.66479 43.98058 
1 1 1  -24  -14    9 o  157.162   14.226  319.950   55.228  558.471  172.895  292.846   58.281  190.708   37.641  149.661   15.835 41.04639 40.83622 
1 1 1  -24  -14   10 o  208.985   14.235  565.172   73.846  682.885  185.172  542.910   80.527  211.417   36.386  203.908   15.941 7.509338 39.72523 
1 1 1  -24  -14   11 o   71.312   19.361   69.826   35.366  240.096  157.126   60.739   36.297  119.839   42.230   66.877   20.105 52.96257 46.77151 
1 1 1  -24  -14   12 o  128.967   36.789  268.981  124.290   0.0000   0.0000  268.981  124.290  ?   ?   128.967   36.789 0.000000 36.78896 
1 1 1  -24  -14   13 o  113.367   36.395  209.259  116.801   0.0000   0.0000  209.259  116.801  ?   ?   113.367   36.395 0.000000 36.39478 
1 1 1  -24  -14   14 o   71.059   31.187   18.211  106.325   0.0000   0.0000   18.211  106.325  ?   ?    71.059   31.187 0.000000 31.18657 
1 1 1  -24  -14   15 o  120.358   37.202  246.804  123.137   0.0000   0.0000  246.804  123.137  ?   ?   120.358   37.202 0.000000 37.20170 
1 1 1  -24  -14   16 o   72.699   31.771   30.490  109.321   0.0000   0.0000   30.490  109.321  ?   ?    72.699   31.771 0.000000 31.77137 
1 1 1  -24  -13    1 o   65.205   21.680   53.093   41.269   0.0000   0.0000   53.093   41.269  ?   ?    65.205   21.680 0.000000 21.67976 
1 1 1  -24  -13    2 o  140.543   14.975  254.355   51.747  405.947  139.062  229.990   55.751  169.201   34.090  132.915   17.200 36.28593 38.18381 
1 1 1  -24  -13    3 o  143.469   15.074  265.252   53.198  365.265  142.903  249.162   57.317  158.471   36.814  138.439   16.933 20.03201 40.52160 
1 1 1  -24  -13    4 o  233.746   14.243  698.399   82.741  845.998  180.908  659.357   93.042  248.270   29.774  226.161   16.590 22.10849 34.08400 
1 1 1  -24  -13    5 o  201.184   14.705  519.359   73.366  483.629  166.240  528.001   81.758  181.256   37.945  202.234   16.329 -20.97769 41.30902 
1 1 1  -24  -13    6 o  133.255   15.924  230.851   51.940  428.052  151.932  204.754   55.270  170.483   36.769  124.598   18.310 45.88477 41.07519 
1 1 1  -24  -13    7 o  163.687   17.339  349.733   69.795  332.797  155.641  353.995   78.086  146.628   40.940  163.786   19.473 -17.15823 45.33514 
1 1 1  -24  -13    8 o  207.498   15.306  556.023   78.750  478.333  178.100  574.904   87.799  175.256   41.361  210.275   16.863 -35.01901 44.66616 
1 1 1  -24  -13    9 o  116.463   16.529  178.591   46.723  131.878  154.229  183.311   49.026  102.376   40.568  117.785   17.173 -15.40948 44.05307 
1 1 1  -24  -13   10 o  201.964   14.606  527.357   73.167  590.994  176.738  514.195   80.378  197.091   37.275  198.557   16.356 -1.466354 40.70586 
1 1 1  -24  -13   11 o  209.407   14.449  567.600   75.097  631.635  184.369  554.863   82.227  202.027   37.938  206.162   16.100 -4.134628 41.21276 
1 1 1  -24  -13   12 o  175.510   16.108  404.089   69.812  276.071  178.891  427.088   75.825  126.325   45.001  179.945   17.079 -53.61951 48.13307 
1 1 1  -24  -13   13 o  182.483   33.030  503.801  144.974   0.0000   0.0000  503.801  144.974  ?   ?   182.483   33.030 0.000000 33.02985 
1 1 1  -24  -13   14 o  141.837   36.908  327.113  131.982   0.0000   0.0000  327.113  131.982  ?   ?   141.837   36.908 0.000000 36.90806 
1 1 1  -24  -13   15 o   64.728   29.422 -21.4173  103.856   0.0000   0.0000 -21.4173  103.856  ?   ?    64.728   29.422 0.000000 29.42157 
1 1 1  -24  -13   16 o   70.658   31.558   5.9335  113.644   0.0000   0.0000   5.9335  113.644  ?   ?    70.658   31.558 0.000000 31.55849 
1 1 1  -24  -13   17 o   91.706   35.724  126.822  117.838   0.0000   0.0000  126.822  117.838  ?   ?    91.706   35.724 0.000000 35.72404 
1 1 1  -24  -12    1 o  198.378   16.368  505.452   80.362  522.474   95.874  465.241  147.357  200.615   19.379  182.518   33.568 18.09741 38.75981 
1 1 1  -24  -12    2 o  213.464   14.014  580.844   74.286  591.096  164.821  578.231   83.217  206.257   33.121  212.394   15.803 -6.137222 36.69803 
1 1 1  -24  -12    3 o  155.222   15.105  309.614   57.806  439.269  148.105  286.313   62.786  175.981   34.934  148.571   17.244 27.41014 38.95834 
1 1 1  -24  -12    4 o  217.361   13.984  602.881   75.503  646.073  168.208  591.983   84.493  215.710   32.214  214.718   15.870 0.9918518 35.91106 
1 1 1  -24  -12    5 o   95.833   17.702  121.558   40.804  136.222  132.524  120.022   42.887  103.657   38.462   94.922   18.758 8.735649 42.79208 
1 1 1  -24  -12    6 o  250.289   14.082  800.277   87.659  854.613  186.076  784.778   99.377  248.743   30.602  246.947   16.205 1.796021 34.62769 
1 1 1  -24  -12    7 o  104.058   17.727  143.240   44.412  219.622  141.383  134.877   46.780  121.877   40.108  100.407   19.359 21.47016 44.53606 
1 1 1  -24  -12    8 o  239.698   21.676  760.907  128.339   0.0000   0.0000  760.907  128.339  ?   ?   239.698   21.676 0.000000 21.67552 
1 1 1  -24  -12    9 o   97.659   38.291  113.382  136.058  113.382  136.058   0.0000   0.0000   97.659   38.291  ?   ?  0.000000 38.29110 
1 1 1  -24  -12   10 o  139.872   15.688  254.941   53.850  262.786  155.251  253.868   57.414  128.985   42.009  139.127   16.871 -10.14174 45.27026 
1 1 1  -24  -12   11 o  133.646   16.249  234.272   53.114  270.645  156.373  229.528   56.471  129.575   42.159  131.732   17.607 -2.157745 45.68790 
1 1 1  -24  -12   12 o  151.516   15.548  299.886   57.993  212.309  159.905  313.150   62.230  116.044   42.385  154.494   16.380 -38.45049 45.44012 
1 1 1  -24  -12   13 o  164.166   15.520  352.445   62.868  118.467  170.435  389.295   67.638   99.439   41.415  172.414   15.888 -72.97533 44.35773 
1 1 1  -24  -12   14 o  130.028   36.987  271.839  125.814   0.0000   0.0000  271.839  125.814  ?   ?   130.028   36.987 0.000000 36.98669 
1 1 1  -24  -12   15 o  167.155   35.464  439.630  143.449   0.0000   0.0000  439.630  143.449  ?   ?   167.155   35.464 0.000000 35.46430 
1 1 1  -24  -12   16 o   71.188   31.487   10.962  110.378   0.0000   0.0000   10.962  110.378  ?   ?    71.188   31.487 0.000000 31.48703 
1 1 1  -24  -12   17 o   78.116   33.533   48.792  117.441   0.0000   0.0000   48.792  117.441  ?   ?    78.116   33.533 0.000000 33.53315 
1 1 1  -24  -11    1 o  205.829   16.659  543.717   84.894  580.812  102.476  462.567  151.571  211.702   19.607  181.827   34.647 29.87515 39.80968 
1 1 1  -24  -11    2 o  141.504   12.032  254.670   42.112  286.902   58.432  219.833   60.748  149.282   15.920  129.458   19.388 19.82408 25.08635 
1 1 1  -24  -11    3 o  165.572   11.389  347.546   46.801  378.212   65.340  315.237   67.067  171.716   15.401  156.022   17.516 15.69403 23.32435 
1 1 1  -24  -11    4 o  201.378   13.892  517.059   69.434  586.885  160.273  500.925   77.039  206.010   32.209  197.617   15.742 8.392929 35.85026 
1 1 1  -24  -11    5 o   85.696   19.125   98.199   39.890   60.933  127.745  102.225   41.989   88.551   36.264   87.339   19.719 1.212059 41.27858 
1 1 1  -24  -11    6 o   87.385   19.376  102.315   41.174  117.589  131.970  100.668   43.337   99.888   38.093   86.465   20.401 13.42222 43.21185 
1 1 1  -24  -11    7 o   47.860   18.621   19.335   31.987   10.582  138.221   19.830   32.880   82.428   35.882   48.483   18.875 33.94579 40.54327 
1 1 1  -24  -11    8 o  224.391   33.922  714.317  184.146  714.317  184.146   0.0000   0.0000  224.391   33.922  ?   ?  0.000000 33.92160 
1 1 1  -24  -11    9 o  103.517   18.012  142.208   44.871  271.875  145.386  128.556   47.174  133.644   40.251   97.696   20.009 35.94769 44.95051 
1 1 1  -24  -11   10 o  262.260   14.296  882.217   93.271  935.137  197.829  867.092  105.764  257.655   31.396  258.891   16.445 -1.235809 35.44201 
1 1 1  -24  -11   11 o  134.956   15.821  237.588   52.307  369.755  155.145  220.638   55.560  154.126   39.972  129.313   17.668 24.81297 43.70293 
1 1 1  -24  -11   12 o  177.276   14.534  406.345   63.773  501.208  170.161  390.843   68.786  180.076   38.971  173.174   16.090 6.901703 42.16218 
1 1 1  -24  -11   13 o  153.680   15.230  307.779   57.679  386.177  162.174  296.426   61.714  154.228   41.289  150.147   16.745 4.081116 44.55490 
1 1 1  -24  -11   14 o  235.905   31.228  811.207  179.440   0.0000   0.0000  811.207  179.440  ?   ?   235.905   31.228 0.000000 31.22764 
1 1 1  -24  -11   15 o   80.543   33.455   59.875  110.794   0.0000   0.0000   59.875  110.794  ?   ?    80.543   33.455 0.000000 33.45496 
1 1 1  -24  -11   16 o  109.931   37.627  194.952  124.304   0.0000   0.0000  194.952  124.304  ?   ?   109.931   37.627 0.000000 37.62730 
1 1 1  -24  -11   17 o   94.687   36.237  131.534  119.686   0.0000   0.0000  131.534  119.686  ?   ?    94.687   36.237 0.000000 36.23714 
1 1 1  -24  -11   18 o   97.096   36.702  145.867  121.829   0.0000   0.0000  145.867  121.829  ?   ?    97.096   36.702 0.000000 36.70225 
1 1 1  -24  -10    1 o  226.225   15.699  653.613   88.136  590.257  107.030  787.078  155.344  213.299   20.340  243.916   25.900 -30.61659 32.93243 
1 1 1  -24  -10    2 o  168.868   12.323  362.006   51.608  357.679   75.786  365.747   70.473  166.137   18.586  168.521   16.977 -2.383957 25.17259 
1 1 1  -24  -10    3 o  124.112   12.563  196.613   38.399  198.150   52.204  194.801   56.680  123.393   17.427  121.791   19.278 1.601456 25.98745 
1 1 1  -24  -10    4 o  356.475   12.002  1605.13  106.843  1623.91  151.560  1586.57  150.642  356.484   17.025  352.315   17.122 4.168793 24.14615 
1 1 1  -24  -10    5 o  175.570   12.325  391.627   53.693  431.723   76.039  351.752   75.829  183.066   16.821  164.446   18.804 18.62035 25.22971 
1 1 1  -24  -10    6 o  228.605   14.422  666.933   81.912  747.171  177.991  645.374   92.262  233.218   31.357  224.078   16.606 9.139908 35.48265 
1 1 1  -24  -10    7 o  115.657   16.873  174.691   47.297  241.527  149.556  167.264   49.856  128.367   41.180  112.685   18.349 15.68180 45.08305 
1 1 1  -24  -10    8 o   99.593   18.495  131.685   44.304  140.760  135.417  130.597   46.884  104.862   38.885   98.830   19.689 6.032326 43.58540 
1 1 1  -24  -10    9 o  124.119   18.429  202.936   55.387  158.285  141.403  211.028   60.196  108.646   39.831  126.150   19.757 -17.50334 44.46205 
1 1 1  -24  -10   10 o  195.347   14.412  489.873   69.808  598.477  166.445  466.692   76.898  204.701   33.737  189.893   16.377 14.80801 37.50141 
1 1 1  -24  -10   11 o  114.149   16.851  171.371   46.589  285.920  149.721  159.090   49.023  135.975   40.823  109.308   18.627 26.66655 44.87204 
1 1 1  -24  -10   12 o  240.566   14.282  743.808   85.411  865.103  192.131  713.934   95.351  246.370   31.984  234.621   16.377 11.74933 35.93270 
1 1 1  -24  -10   13 o   87.674   18.511  103.892   39.255  201.658  152.530   96.957   40.624  115.148   41.497   84.334   19.654 30.81364 45.91543 
1 1 1  -24  -10   14 o  234.559   14.208  709.951   82.828  925.128  198.512  664.594   91.141  252.253   32.252  225.780   16.274 26.47346 36.12550 
1 1 1  -24  -10   15 o   73.734   32.111   17.120  110.804   0.0000   0.0000   17.120  110.804  ?   ?    73.734   32.111 0.000000 32.11137 
1 1 1  -24  -10   16 o   73.747   32.389   13.741  114.855   0.0000   0.0000   13.741  114.855  ?   ?    73.747   32.389 0.000000 32.38875 
1 1 1  -24  -10   17 o  112.474   37.827  205.337  125.604   0.0000   0.0000  205.337  125.604  ?   ?   112.474   37.827 0.000000 37.82689 
1 1 1  -24  -10   18 o  104.190   37.821  173.667  127.042   0.0000   0.0000  173.667  127.042  ?   ?   104.190   37.821 0.000000 37.82150 
1 1 1  -24  -10   19 o  110.434   38.359  205.480  129.393   0.0000   0.0000  205.480  129.393  ?   ?   110.434   38.359 0.000000 38.35931 
1 1 1  -24   -9    1 o  224.647   16.000  644.624   89.171  605.446  108.859  724.524  155.459  216.156   20.409  233.527   27.166 -17.37099 33.97774 
1 1 1  -24   -9    2 o  259.295   17.098  860.737  110.090  877.669  139.798  833.094  178.623  259.896   21.740  249.313   29.246 10.58345 36.44143 
1 1 1  -24   -9    3 o  166.380   11.220  350.409   46.344  363.257   64.261  336.485   66.900  168.408   15.453  161.654   16.819 6.754837 22.83972 
1 1 1  -24   -9    4 o  166.749   10.787  351.693   44.676  301.906   61.254  408.276   65.301  153.143   16.266  178.762   14.760 -25.61862 21.96504 
1 1 1  -24   -9    5 o  218.747   11.208  604.955   61.019  655.758   86.208  553.948   86.381  226.575   15.327  207.680   16.800 18.89500 22.74077 
1 1 1  -24   -9    6 o  318.379   18.629  1306.09  147.462   0.0000   0.0000  1306.09  147.462  ?   ?   318.379   18.629 0.000000 18.62863 
1 1 1  -24   -9    7 o  250.812   32.285  866.354  197.514  866.354  197.514   0.0000   0.0000  250.812   32.285  ?   ?  0.000000 32.28485 
1 1 1  -24   -9    8 o   93.204   19.000  115.788   42.722   31.382  133.130  125.478   45.108   84.726   36.018   97.038   19.294 -12.31239 40.86030 
1 1 1  -24   -9    9 o  129.547   17.734  219.514   55.863  305.137  140.489  203.433   60.883  143.728   38.409  123.735   20.416 19.99282 43.49752 
1 1 1  -24   -9   10 o  342.693   15.666  1503.44  134.062  1717.04  257.948  1424.39  156.921  354.468   29.406  331.124   19.058 23.34427 35.04208 
1 1 1  -24   -9   11 o  178.187   14.279  407.750   63.004  525.148  161.498  386.676   68.425  190.480   35.250  172.870   16.033 17.60956 38.72530 
1 1 1  -24   -9   12 o   90.267   19.229  109.829   42.018  166.247  144.915  104.650   43.904  109.326   40.286   87.772   20.416 21.55412 45.16391 
1 1 1  -24   -9   13 o  182.527   14.522  429.641   65.646  562.683  172.732  407.182   70.971  194.141   36.980  176.961   16.241 17.17949 40.38896 
1 1 1  -24   -9   14 o   89.577   19.063  108.754   41.333  181.297  154.421  103.156   42.898  111.150   41.463   86.887   20.161 24.26315 46.10470 
1 1 1  -24   -9   15 o  161.727   15.601  341.175   62.226  311.265  168.294  345.912   66.972  136.506   43.673  162.327   16.763 -25.82137 46.77916 
1 1 1  -24   -9   16 o   97.819   36.880  134.252  122.812   0.0000   0.0000  134.252  122.812  ?   ?    97.819   36.880 0.000000 36.88008 
1 1 1  -24   -9   17 o  122.089   38.074  241.351  128.653   0.0000   0.0000  241.351  128.653  ?   ?   122.089   38.074 0.000000 38.07368 
1 1 1  -24   -9   18 o  147.650   38.304  357.009  142.438   0.0000   0.0000  357.009  142.438  ?   ?   147.650   38.304 0.000000 38.30401 
1 1 1  -24   -9   19 o  250.878   33.269  960.985  203.283   0.0000   0.0000  960.985  203.283  ?   ?   250.878   33.269 0.000000 33.26850 
1 1 1  -24   -9   20 o   97.542   37.492  146.165  128.464   0.0000   0.0000  146.165  128.464  ?   ?    97.542   37.492 0.000000 37.49187 
1 1 1  -24   -8    1 f  205.905   16.134  541.929   82.295  541.662   99.781  542.496  145.528  204.682   19.768  200.564   29.976 4.117752 35.90715 
1 1 1  -24   -8    2 o  265.415   17.371  901.668  114.496  938.116  146.324  844.108  183.882  268.799   21.992  250.840   29.948 17.95857 37.15491 
1 1 1  -24   -8    3 o  224.829   11.769  639.073   65.844  651.250   92.246  626.424   94.014  225.637   16.486  221.050   17.166 4.586975 23.80013 
1 1 1  -24   -8    4 o   90.930   14.310  107.206   31.419  131.363   41.933   76.282   47.443  100.112   17.405   76.228   23.001 23.88414 28.84424 
1 1 1  -24   -8    5 o  269.311   12.397  916.146   83.373  901.910  117.881  930.394  117.935  264.992   17.919  269.279   17.636 -4.286774 25.14199 
1 1 1  -24   -8    6 o  218.577   14.894  609.611   80.811  584.759   93.080  685.683  162.849  213.133   17.647  225.125   29.692 -11.99165 34.54047 
1 1 1  -24   -8    7 o  222.643   11.702  627.572   64.833  580.088   90.609  677.387   92.806  212.313   17.239  229.889   16.271 -17.57610 23.70508 
1 1 1  -24   -8    8 o  396.277   13.473  1991.52  133.325  2031.75  189.102  1951.75  188.003  397.194   19.065  389.118   19.348 8.075165 27.16292 
1 1 1  -24   -8    9 o  185.225   16.369  441.984   74.933  719.974  163.184  367.705   84.352  230.046   29.054  167.280   20.630 62.76590 35.63342 
1 1 1  -24   -8   10 o  220.310   17.142  626.673   93.563  700.768  176.854  597.875  110.256  224.083   32.558  213.440   20.956 10.64392 38.71905 
1 1 1  -24   -8   11 o  219.960   14.499  619.698   79.191  773.268  180.455  583.069   88.131  235.695   31.444  212.440   16.749 23.25436 35.62640 
1 1 1  -24   -8   12 o  211.713   14.285  574.682   75.081  681.359  174.619  550.488   83.160  219.296   32.902  206.391   16.267 12.90556 36.70361 
1 1 1  -24   -8   13 o  152.510   16.123  302.379   60.474  243.836  158.695  312.324   65.409  125.995   42.518  154.597   17.236 -28.60271 45.87879 
1 1 1  -24   -8   14 o  232.381   15.124  696.713   87.286  625.241  194.549  714.726   97.668  202.078   39.969  234.510   16.789 -32.43161 43.35181 
1 1 1  -24   -8   15 o   56.057   19.467   38.068   33.325   65.179  153.234   36.722   34.143   91.061   38.675   55.683   19.679 35.37715 43.39352 
1 1 1  -24   -8   16 o   99.494   36.508  140.031  118.829   0.0000   0.0000  140.031  118.829  ?   ?    99.494   36.508 0.000000 36.50797 
1 1 1  -24   -8   17 o  159.661   36.948  398.423  144.395   0.0000   0.0000  398.423  144.395  ?   ?   159.661   36.948 0.000000 36.94822 
1 1 1  -24   -8   18 o  195.962   34.178  583.228  161.168   0.0000   0.0000  583.228  161.168  ?   ?   195.962   34.178 0.000000 34.17772 
1 1 1  -24   -8   19 o  249.329   33.059  938.044  200.757   0.0000   0.0000  938.044  200.757  ?   ?   249.329   33.059 0.000000 33.05898 
1 1 1  -24   -8   20 o  169.248   37.779  466.328  155.627   0.0000   0.0000  466.328  155.627  ?   ?   169.248   37.779 0.000000 37.77918 
1 1 1  -24   -7    1 o  189.047   17.950  459.666   83.725  608.721  102.199  155.462  146.000  217.413   19.015  111.709   40.546 105.7044 44.78361 
1 1 1  -24   -7    2 o  218.976   16.026  612.207   87.024  584.990  106.087  668.199  152.161  212.644   20.222  224.109   27.785 -11.46463 34.36446 
1 1 1  -24   -7    3 o  297.547   12.046  1116.53   89.503  1239.56  126.978  995.036  126.178  311.802   16.365  278.557   18.240 33.24496 24.50530 
1 1 1  -24   -7    4 o  117.593   12.373  176.388   35.789  195.002   48.353  153.838   53.221  122.845   16.154  107.747   20.530 15.09801 26.12319 
1 1 1  -24   -7    5 o  300.117   15.132  1146.16  113.038  1165.33  225.167  1139.70  130.701  293.976   31.146  298.273   17.626 -4.296936 35.78782 
1 1 1  -24   -7    6 o  144.475   13.065  266.046   46.627  310.794   60.655  201.399   72.905  155.544   15.837  122.238   24.733 33.30582 29.36844 
1 1 1  -24   -7    7 o  198.365   11.585  498.133   57.138  484.958   79.382  512.297   82.309  194.349   16.513  199.742   16.654 -5.393112 23.45235 
1 1 1  -24   -7    8 o  104.917   13.092  141.440   33.554  137.885   44.805  145.980   50.631  102.284   18.209  104.794   20.079 -2.510162 27.10570 
1 1 1  -24   -7    9 o  229.681   11.466  666.187   65.762  603.749   91.888  731.744   94.155  216.531   17.134  238.999   15.866 -22.46701 23.35166 
1 1 1  -24   -7   10 o  236.212   17.094  718.730  100.153  954.936  186.589  623.137  118.701  265.600   28.582  217.586   22.155 48.01453 36.16371 
1 1 1  -24   -7   11 o  323.234   14.622  1331.72  118.022  1590.37  234.402  1243.88  136.600  343.545   27.555  310.471   17.692 33.07446 32.74570 
1 1 1  -24   -7   12 o  272.802   14.348  951.575   97.402  1093.36  202.509  908.904  111.096  282.613   29.111  265.422   16.849 17.19080 33.63559 
1 1 1  -24   -7   13 o  101.101   18.082  135.833   43.976  198.342  149.699  129.929   46.006  116.897   41.217   98.418   19.409 18.47882 45.55794 
1 1 1  -24   -7   14 o  141.703   16.233  261.672   56.405  154.202  153.335  278.490   60.658  107.489   41.044  145.965   16.957 -38.47620 44.40945 
1 1 1  -24   -7   15 o   43.223   17.726   9.7350   30.574   9.3924  140.981   9.7519   31.320   81.243   35.777   43.645   17.924 37.59749 40.01620 
1 1 1  -24   -7   16 o   74.771   20.282   76.329   38.829  -3.3759  157.018   81.521   40.073   82.589   36.976   77.176   20.461 5.413757 42.26004 
1 1 1  -24   -7   17 o  175.568   35.601  467.787  150.744   0.0000   0.0000  467.787  150.744  ?   ?   175.568   35.601 0.000000 35.60123 
1 1 1  -24   -7   18 o  122.699   38.337  241.241  130.370   0.0000   0.0000  241.241  130.370  ?   ?   122.699   38.337 0.000000 38.33713 
1 1 1  -24   -7   19 o  101.607   37.635  154.710  126.779   0.0000   0.0000  154.710  126.779  ?   ?   101.607   37.635 0.000000 37.63499 
1 1 1  -24   -7   20 o  213.017   35.064  701.030  180.027   0.0000   0.0000  701.030  180.027  ?   ?   213.017   35.064 0.000000 35.06369 
1 1 1  -24   -7   21 o  139.195   40.341  332.786  148.355   0.0000   0.0000  332.786  148.355  ?   ?   139.195   40.341 0.000000 40.34106 
1 1 1  -24   -6    1 o  246.209   16.353  773.409   99.969  719.476  123.808  874.443  169.455  235.690   21.265  257.455   26.748 -21.76445 34.17072 
1 1 1  -24   -6    2 o  409.221   14.678  2120.90  149.994  2214.04  212.492  2028.40  211.757  415.335   20.488  396.494   21.467 18.84146 29.67458 
1 1 1  -24   -6    3 o  366.294   13.472  1695.79  123.231  1904.39  174.143  1486.56  174.406  386.313   18.052  339.612   20.663 46.70108 27.43776 
1 1 1  -24   -6    4 o  135.960   18.096  239.848   59.914   0.0000   0.0000  239.848   59.914  ?   ?   135.960   18.096 0.000000 18.09629 
1 1 1  -24   -6    5 o  154.175   16.870  306.135   63.892  306.135   63.892   0.0000   0.0000  154.175   16.870  ?   ?  0.000000 16.87038 
1 1 1  -24   -6    6 o  192.435   11.757  468.733   56.229  493.208   78.384  442.788   80.705  196.264   16.136  185.437   17.641 10.82684 23.90776 
1 1 1  -24   -6    7 o  230.450   11.904  671.952   68.270  756.216   96.358  587.022   96.738  243.270   15.950  213.397   18.331 29.87300 24.29904 
1 1 1  -24   -6    8 f  245.380   11.603  759.811   71.098  773.855   99.847  745.367  101.262  245.853   16.357  241.054   16.930 4.798691 23.54037 
1 1 1  -24   -6    9 o  133.017   11.934  225.260   39.221  206.378   52.961  248.192   58.364  125.924   17.299  138.293   17.277 -12.36908 24.44922 
1 1 1  -24   -6   10 o  147.326   18.422  282.959   66.293  184.289  142.067  310.424   74.953  115.690   40.194  153.863   19.979 -38.17281 44.88535 
1 1 1  -24   -6   11 o  424.930   19.914  2337.53  211.314  3030.90  329.072  1850.98  275.658  475.234   27.851  368.810   30.195 106.4241 41.07818 
1 1 1  -24   -6   12 o  101.714   18.892  137.579   46.220  154.012  143.207  135.668   48.833  108.340   40.025  100.621   20.137 7.718086 44.80523 
1 1 1  -24   -6   13 o  144.343   16.090  270.263   57.009  281.419  148.927  268.348   61.709  136.333   40.666  143.303   17.615 -6.969955 44.31723 
1 1 1  -24   -6   14 o  128.943   16.582  217.221   52.157  265.280  150.793  210.690   55.588  131.600   41.249  126.427   18.126 5.172737 45.05605 
1 1 1  -24   -6   15 o  166.863   14.815  359.559   61.089  454.696  164.593  344.360   65.788  172.892   39.046  162.661   16.421 10.23158 42.35814 
1 1 1  -24   -6   16 o  118.275   17.458  185.083   50.013  222.763  156.815  180.816   52.768  120.103   42.200  116.377   18.798 3.726448 46.19748 
1 1 1  -24   -6   17 o  107.226   38.270  169.586  129.432   0.0000   0.0000  169.586  129.432  ?   ?   107.226   38.270 0.000000 38.26950 
1 1 1  -24   -6   18 o   99.134   37.479  136.654  127.057   0.0000   0.0000  136.654  127.057  ?   ?    99.134   37.479 0.000000 37.47934 
1 1 1  -24   -6   19 o   99.794   37.752  142.646  128.964   0.0000   0.0000  142.646  128.964  ?   ?    99.794   37.752 0.000000 37.75213 
1 1 1  -24   -6   20 o   75.698   33.457   12.370  124.398   0.0000   0.0000   12.370  124.398  ?   ?    75.698   33.457 0.000000 33.45703 
1 1 1  -24   -6   21 o  103.268   39.153  164.731  138.909   0.0000   0.0000  164.731  138.909  ?   ?   103.268   39.153 0.000000 39.15327 
1 1 1  -24   -5    1 o  358.948   18.232  1647.61  162.891  1411.81  212.861  1980.84  253.040  328.076   26.200  388.905   26.208 -60.82858 37.05838 
1 1 1  -24   -5    2 o  353.090   13.518  1575.38  119.191  1547.01  167.454  1604.50  169.692  347.223   19.390  353.685   19.286 -6.461792 27.34794 
1 1 1  -24   -5    3 o  275.769   12.786  959.875   88.047  1031.42  123.599  886.166  125.456  284.021   17.512  262.527   19.271 21.49332 26.03958 
1 1 1  -24   -5    4 o  448.828   14.168  2549.47  158.797  2647.83  223.788  2449.71  225.366  454.557   19.715  436.666   20.668 17.89102 28.56272 
1 1 1  -24   -5    5 o  255.488   11.888  823.002   75.843  845.868  106.204  799.205  108.345  257.321   16.617  249.792   17.479 7.528931 24.11724 
1 1 1  -24   -5    6 o  101.744   14.226  133.539   35.155  166.023   47.653   94.745   52.076  112.852   17.474   84.217   23.740 28.63485 29.47783 
1 1 1  -24   -5    7 o  123.084   12.579  193.285   38.121  220.299   51.872  161.564   56.211  130.616   16.255  110.240   21.189 20.37663 26.70550 
1 1 1  -24   -5    8 o  242.204   12.091  740.686   73.130  761.967  103.127  719.161  103.718  243.772   17.048  236.557   17.686 7.215149 24.56479 
1 1 1  -24   -5    9 o  139.878   11.964  248.845   41.390  245.158   56.582  253.088   60.703  137.620   16.814  139.562   17.825 -1.941345 24.50381 
1 1 1  -24   -5   10 o  171.171   16.887  377.975   71.241  553.594  149.460  326.343   81.040  200.940   30.765  157.485   21.141 43.45465 37.32841 
1 1 1  -24   -5   11 o  198.168   17.777  507.801   87.038  413.073  161.287  546.722  103.384  167.999   39.167  204.545   20.517 -36.54573 44.21550 
1 1 1  -24   -5   12 o  138.921   12.296  246.236   42.216  294.949   58.302  192.544   61.209  151.197   15.669  120.094   21.184 31.10250 26.34949 
1 1 1  -24   -5   13 o   91.990   14.278  110.204   31.736  114.554   42.124  104.493   48.262   92.592   18.859   87.695   22.059 4.897141 29.02139 
1 1 1  -24   -5   14 o  131.091   16.354  223.853   52.371  312.055  154.417  212.389   55.670  142.883   41.084  127.076   18.050 15.80668 44.87431 
1 1 1  -24   -5   15 o  192.394   14.697  476.326   70.076  605.090  171.199  450.409   76.805  204.492   34.770  186.260   16.690 18.23189 38.56826 
1 1 1  -24   -5   16 o  119.295   17.020  187.404   49.265  377.988  155.343  166.093   51.946  156.394   39.705  111.341   19.388 45.05322 44.18557 
1 1 1  -24   -5   17 o   70.738   20.130   67.750   37.259  250.041  156.081   56.734   38.369  125.618   42.168   65.655   20.837 59.96342 47.03473 
1 1 1  -24   -5   18 o  150.343   38.699  355.306  146.148   0.0000   0.0000  355.306  146.148  ?   ?   150.343   38.699 0.000000 38.69901 
1 1 1  -24   -5   19 o   93.167   36.679  109.113  125.320   0.0000   0.0000  109.113  125.320  ?   ?    93.167   36.679 0.000000 36.67943 
1 1 1  -24   -5   20 o  106.900   38.872  175.782  134.280   0.0000   0.0000  175.782  134.280  ?   ?   106.900   38.872 0.000000 38.87188 
1 1 1  -24   -5   21 o  180.013   38.367  518.983  167.196   0.0000   0.0000  518.983  167.196  ?   ?   180.013   38.367 0.000000 38.36681 
1 1 1  -24   -5   22 o   85.578   36.364   68.295  135.595   0.0000   0.0000   68.295  135.595  ?   ?    85.578   36.364 0.000000 36.36439 
1 1 1  -24   -4    1 o  227.135   12.244  652.299   69.189  650.014   96.122  654.756   99.671  225.375   17.209  226.009   17.804 -0.6338196 24.76179 
1 1 1  -24   -4    2 o  118.932   13.083  180.671   38.214  175.819   50.298  187.295   58.771  116.182   17.912  119.301   20.464 -3.119698 27.19601 
1 1 1  -24   -4    3 o  239.938   16.372  734.769   97.509   0.0000   0.0000  734.769   97.509  ?   ?   239.938   16.372 0.000000 16.37187 
1 1 1  -24   -4    4 o  322.441   15.069  1317.94  121.335  1581.63  151.788  851.180  201.944  352.408   17.248  250.364   33.113 102.0440 37.33571 
1 1 1  -24   -4    5 o  235.516   11.699  699.062   68.803  689.439   95.265  709.554   99.476  232.264   16.533  235.480   17.032 -3.215881 23.73628 
1 1 1  -24   -4    6 o  130.188   12.776  216.028   41.001  258.668   55.787  165.939   60.463  141.804   16.036  111.480   22.495 30.32370 27.62555 
1 1 1  -24   -4    7 o  194.364   11.675  478.007   56.405  519.024   78.499  434.227   81.101  201.507   15.724  183.550   17.922 17.95686 23.84269 
1 1 1  -24   -4    8 o  203.108   12.257  522.722   61.876  573.700   86.531  469.380   88.514  211.597   16.507  190.506   18.853 21.09058 25.05842 
1 1 1  -24   -4    9 o  121.791   12.250  189.196   36.751  168.119   49.058  216.155   55.482  113.340   17.929  128.891   17.705 -15.55088 25.19802 
1 1 1  -24   -4   10 o  116.930   20.318  181.045   57.175   51.082  130.764  211.764   63.574   87.956   36.424  126.507   20.850 -38.55096 41.96972 
1 1 1  -24   -4   11 o   91.046   21.882  111.852   49.134   2.8256  127.917  130.722   53.216   79.276   34.514   98.437   22.181 -19.16068 41.02667 
1 1 1  -24   -4   12 o   94.010   14.193  114.744   32.282  126.201   42.893   99.777   49.028   97.602   18.270   85.859   22.570 11.74335 29.03763 
1 1 1  -24   -4   13 o  110.813   13.048  157.889   35.414  188.436   47.617  120.077   52.978  120.308   16.267   93.938   22.812 26.37060 28.01735 
1 1 1  -24   -4   14 o  138.592   12.357  245.458   42.317  245.377   58.027  245.551   61.847  137.081   17.339  136.688   18.602 0.3927765 25.43007 
1 1 1  -24   -4   15 o   74.811   21.606   75.357   42.623  145.216  142.979   68.543   44.654  105.492   39.788   71.982   22.428 33.51005 45.67403 
1 1 1  -24   -4   16 o  258.621   14.448  858.498   92.936  1215.74  207.664  769.028  103.924  297.085   28.335  243.341   17.213 53.74352 33.15388 
1 1 1  -24   -4   17 o   62.259   20.129   50.105   35.681  -0.3319  147.876   53.223   36.767   81.584   36.247   63.890   20.410 17.69366 41.59843 
1 1 1  -24   -4   18 o  140.721   38.747  309.835  140.477   0.0000   0.0000  309.835  140.477  ?   ?   140.721   38.747 0.000000 38.74688 
1 1 1  -24   -4   19 o   84.852   35.843   55.848  130.474   0.0000   0.0000   55.848  130.474  ?   ?    84.852   35.843 0.000000 35.84298 
1 1 1  -24   -4   20 o   83.412   35.318   54.269  127.165   0.0000   0.0000   54.269  127.165  ?   ?    83.412   35.318 0.000000 35.31832 
1 1 1  -24   -4   21 o  252.526   33.853  957.219  208.104   0.0000   0.0000  957.219  208.104  ?   ?   252.526   33.853 0.000000 33.85289 
1 1 1  -24   -4   22 o  180.697   38.883  527.339  170.253   0.0000   0.0000  527.339  170.253  ?   ?   180.697   38.883 0.000000 38.88307 
1 1 1  -24   -4   23 o   85.432   36.442   66.911  137.133   0.0000   0.0000   66.911  137.133  ?   ?    85.432   36.442 0.000000 36.44234 
1 1 1  -24   -3    1 o  160.358   12.076  325.938   48.003  331.700   64.558  318.812   71.789  160.806   16.302  156.968   18.681 3.838242 24.79425 
1 1 1  -24   -3    2 o  133.998   12.753  228.575   42.158  256.643   57.083  194.896   62.529  141.199   16.500  121.479   21.394 19.72059 27.01792 
1 1 1  -24   -3    3 o  267.683   16.500  914.087  109.758  914.087  109.758   0.0000   0.0000  267.683   16.500  ?   ?  0.000000 16.50010 
1 1 1  -24   -3    4 o  193.817   11.855  475.175   57.100  465.858   78.077  485.887   83.720  190.734   16.557  194.568   17.415 -3.833572 24.02939 
1 1 1  -24   -3    5 o  298.230   11.864  1121.19   88.354  1044.29  122.209  1205.41  127.886  285.841   17.201  307.359   16.725 -21.51761 23.99166 
1 1 1  -24   -3    6 o  179.431   11.236  407.076   50.091  440.344   68.451  368.724   73.496  185.798   14.878  169.158   17.659 16.63994 23.09122 
1 1 1  -24   -3    7 o  249.092   11.277  781.782   70.148  782.544   97.291  780.958  101.236  247.659   15.814  247.174   16.496 0.4848022 22.85185 
1 1 1  -24   -3    8 o  204.409   11.389  528.302   57.905  515.729   79.995  542.141   83.928  200.710   16.096  205.696   16.477 -4.985672 23.03428 
1 1 1  -24   -3    9 o   73.270   16.042   70.921   28.538   53.703   36.384   98.454   46.008   64.710   20.258   85.652   21.533 -20.94211 29.56495 
1 1 1  -24   -3   10 o  248.916   13.475  787.096   83.448  827.414  106.624  723.363  134.058  253.999   16.907  234.689   23.177 19.31001 28.68818 
1 1 1  -24   -3   11 o  157.126   17.794  320.171   68.589  396.405  144.822  298.126   77.877  166.835   35.831  150.344   21.342 16.49110 41.70522 
1 1 1  -24   -3   12 o  232.376   11.384  682.000   66.060  674.971   92.111  689.445   94.792  229.314   16.189  231.653   16.494 -2.339188 23.11162 
1 1 1  -24   -3   13 o  191.629   11.716  466.104   55.793  500.588   78.087  430.138   79.747  197.264   15.989  182.129   17.760 15.13437 23.89736 
1 1 1  -24   -3   14 f  170.167   12.193  368.746   51.469  398.546   71.379  336.472   74.283  175.574   16.473  160.313   18.920 15.26103 25.08623 
1 1 1  -24   -3   15 o  135.970   11.948  236.094   40.157  231.620   54.626  241.354   59.235  133.243   16.790  135.659   17.925 -2.415955 24.56026 
1 1 1  -24   -3   16 o  256.098   14.814  842.243   94.334  1017.27  200.945  792.767  106.839  270.315   30.289  247.129   17.424 23.18561 34.94322 
1 1 1  -24   -3   17 f  100.047   20.382  135.590   49.193  231.777  157.831  125.240   51.772  122.837   42.382   95.534   22.135 27.30313 47.81460 
1 1 1  -24   -3   18 o  110.433   38.819  180.248  132.699   0.0000   0.0000  180.248  132.699  ?   ?   110.433   38.819 0.000000 38.81868 
1 1 1  -24   -3   19 o  103.654   38.269  153.259  130.874   0.0000   0.0000  153.259  130.874  ?   ?   103.654   38.269 0.000000 38.26883 
1 1 1  -24   -3   20 o   82.748   35.429   43.930  130.487   0.0000   0.0000   43.930  130.487  ?   ?    82.748   35.429 0.000000 35.42922 
1 1 1  -24   -3   21 o  252.426   34.127  953.349  209.605   0.0000   0.0000  953.349  209.605  ?   ?   252.426   34.127 0.000000 34.12687 
1 1 1  -24   -3   22 o  204.101   37.074  650.466  181.997   0.0000   0.0000  650.466  181.997  ?   ?   204.101   37.074 0.000000 37.07377 
1 1 1  -24   -3   23 o  164.897   41.186  457.300  169.091   0.0000   0.0000  457.300  169.091  ?   ?   164.897   41.186 0.000000 41.18550 
1 1 1  -24   -2    1 o  134.960   12.666  231.824   42.188  273.461   56.135  177.782   63.953  146.005   15.640  115.428   22.995 30.57705 27.80939 
1 1 1  -24   -2    2 o  211.906   11.787  567.588   62.124  590.392   85.794  542.450   90.075  215.022   16.095  205.570   17.720 9.451248 23.93814 
1 1 1  -24   -2    3 o  325.905   12.646  1340.42  102.921  1313.31  142.762  1369.76  148.512  320.417   17.914  327.101   18.254 -6.684448 25.57588 
1 1 1  -24   -2    4 o  146.819   12.730  274.068   46.212  310.757   61.967  228.098   69.363  155.592   16.185  131.451   21.901 24.14142 27.23299 
1 1 1  -24   -2    5 o  144.228   12.036  264.077   42.954  270.455   57.401  255.959   64.755  145.044   16.120  140.281   18.972 4.763153 24.89589 
1 1 1  -24   -2    6 o  277.634   12.703  973.287   88.069  992.750  122.622  952.550  126.570  278.403   17.730  272.289   18.728 6.113770 25.78957 
1 1 1  -24   -2    7 o  254.194   11.751  814.754   74.589  800.909  103.281  829.847  107.835  250.286   16.619  254.627   17.058 -4.341156 23.81530 
1 1 1  -24   -2    8 o  314.692   12.205  1250.08   95.915  1147.96  133.592  1358.73  137.795  299.176   17.965  326.015   16.984 -26.83893 24.72250 
1 1 1  -24   -2    9 o  187.354   11.529  444.343   53.677  444.351   73.502  444.334   78.573  186.202   15.962  185.841   17.124 0.3607025 23.40930 
1 1 1  -24   -2   10 o  151.835   18.967  300.220   70.347   67.101  134.560  387.897   82.522   91.751   37.355  172.680   19.477 -80.92990 42.12832 
1 1 1  -24   -2   11 o  151.322   17.404  296.633   64.567  522.534  140.705  236.376   72.670  195.795   29.711  133.152   22.668 62.64299 37.37038 
1 1 1  -24   -2   12 o  213.729   12.147  579.499   64.564  582.768   90.176  576.061   92.482  212.699   17.123  211.244   17.695 1.454773 24.62284 
1 1 1  -24   -2   13 o  135.975   12.188  235.815   40.944  225.229   55.499  248.458   60.651  131.460   17.328  137.944   18.039 -6.483963 25.01365 
1 1 1  -24   -2   14 o   95.076   13.576  117.085   31.318  122.197   40.898  109.837   48.696   96.069   17.700   89.989   21.882 6.080070 28.14424 
1 1 1  -24   -2   15 o  151.837   11.896  293.823   44.746  280.657   60.964  309.198   65.881  146.856   16.934  154.047   17.433 -7.190674 24.30371 
1 1 1  -24   -2   16 f  119.006   12.316  181.654   36.070  164.169   48.030  204.268   54.625  111.447   17.862  124.488   18.102 -13.04152 25.43051 
1 1 1  -24   -2   17 o  146.337   11.693  273.429   42.373  255.096   57.724  294.853   62.399  139.645   16.897  150.249   16.926 -10.60497 23.91617 
1 1 1  -24   -2   18 o  263.871   15.086  897.619   98.992  1038.12  215.553  860.065  111.438  269.115   32.750  256.901   17.475 12.21310 37.12059 
1 1 1  -24   -2   19 o   64.035   30.058 -88.6603  121.940   0.0000   0.0000 -88.6603  121.940  ?   ?    64.035   30.058 0.000000 30.05781 
1 1 1  -24   -2   20 o  308.098   33.442  1389.27  253.164   0.0000   0.0000  1389.27  253.164  ?   ?   308.098   33.442 0.000000 33.44207 
1 1 1  -24   -2   21 o  130.921   41.545  283.040  152.532   0.0000   0.0000  283.040  152.532  ?   ?   130.921   41.545 0.000000 41.54457 
1 1 1  -24   -2   22 o  130.804   42.808  290.939  161.141   0.0000   0.0000  290.939  161.141  ?   ?   130.804   42.808 0.000000 42.80838 
1 1 1  -24   -2   23 o  238.743   36.105  880.827  208.529   0.0000   0.0000  880.827  208.529  ?   ?   238.743   36.105 0.000000 36.10462 
1 1 1  -24   -2   24 o  112.300   41.178  210.242  151.136   0.0000   0.0000  210.242  151.136  ?   ?   112.300   41.178 0.000000 41.17787 
1 1 1  -24   -1    1 o  140.559   19.585  257.641   66.877   0.0000   0.0000  257.641   66.877  ?   ?   140.559   19.585 0.000000 19.58527 
1 1 1  -24   -1    2 o   87.290   20.144  101.516   43.017  101.516   43.017   0.0000   0.0000   87.290   20.144  ?   ?  0.000000 20.14380 
1 1 1  -24   -1    3 o  123.354   13.686  194.690   41.446  199.341   54.869  188.511   63.248  123.698   18.317  119.171   22.066 4.526993 28.67752 
1 1 1  -24   -1    4 o  229.894   11.919  668.083   68.192  633.447   93.453  707.527   99.728  222.441   16.952  235.105   17.104 -12.66356 24.08097 
1 1 1  -24   -1    5 o  208.954   11.562  551.858   60.095  531.212   82.304  575.434   87.949  203.770   16.311  211.996   16.750 -8.226425 23.37968 
1 1 1  -24   -1    6 o  147.349   12.138  275.708   44.265  247.148   58.855  312.902   67.165  138.193   17.443  155.690   17.584 -17.49651 24.76806 
1 1 1  -24   -1    7 o  185.850   11.925  437.424   55.051  447.019   75.188  426.337   80.824  186.767   16.284  181.834   18.038 4.933411 24.30090 
1 1 1  -24   -1    8 o  240.528   12.308  732.306   73.682  747.318  102.213  716.067  106.311  241.496   17.059  235.958   18.182 5.538071 24.93194 
1 1 1  -24   -1    9 o  219.417   11.777  609.177   64.292  603.471   88.763  615.474   93.249  217.010   16.503  218.932   17.195 -1.922119 23.83296 
1 1 1  -24   -1   10 o  233.124   17.787  699.300  102.769  610.572  171.009  749.458  128.577  209.919   33.767  239.687   21.718 -29.76775 40.14824 
1 1 1  -24   -1   11 o  214.941   17.278  594.577   91.953  603.422  161.062  590.300  112.001  209.498   31.785  212.499   21.397 -3.001389 38.31584 
1 1 1  -24   -1   12 o  207.213   11.306  543.603   58.283  512.791   80.315  577.879   84.710  199.773   16.240  212.193   16.107 -12.42026 22.87271 
1 1 1  -24   -1   13 o   85.291   14.949   95.228   30.679  112.900   39.904   69.682   47.976   92.274   17.964   73.226   23.306 19.04771 29.42574 
1 1 1  -24   -1   14 o  139.730   11.708  248.666   40.475  237.529   54.637  262.212   60.256  135.232   16.523  141.902   17.367 -6.669098 23.97105 
1 1 1  -24   -1   15 o  149.053   12.275  283.502   45.282  314.507   62.459  249.149   65.744  155.822   16.292  137.310   19.741 18.51180 25.59608 
1 1 1  -24   -1   16 o   85.449   14.485   95.660   29.804   76.744   38.576  123.670   46.943   75.410   20.115   95.744   20.266 -20.33332 28.55333 
1 1 1  -24   -1   17 o  171.887   12.117  377.029   51.679  360.317   71.273  395.557   75.044  166.117   17.442  174.101   17.498 -7.984833 24.70614 
1 1 1  -24   -1   18 o  238.116   12.736  724.344   75.454  761.100  106.679  687.550  106.735  241.530   17.813  228.924   18.838 12.60594 25.92640 
1 1 1  -24   -1   19 o   88.527   36.917   67.212  135.672   0.0000   0.0000   67.212  135.672  ?   ?    88.527   36.917 0.000000 36.91694 
1 1 1  -24   -1   20 o   79.514   34.965   13.274  134.215   0.0000   0.0000   13.274  134.215  ?   ?    79.514   34.965 0.000000 34.96453 
1 1 1  -24   -1   21 o   85.196   36.219   54.341  134.622   0.0000   0.0000   54.341  134.622  ?   ?    85.196   36.219 0.000000 36.21869 
1 1 1  -24   -1   22 o   85.858   36.960   51.365  143.419   0.0000   0.0000   51.365  143.419  ?   ?    85.858   36.960 0.000000 36.96047 
1 1 1  -24   -1   23 o  154.728   42.512  405.892  169.314   0.0000   0.0000  405.892  169.314  ?   ?   154.728   42.512 0.000000 42.51170 
1 1 1  -24   -1   24 o  199.349   39.306  642.491  188.716   0.0000   0.0000  642.491  188.716  ?   ?   199.349   39.306 0.000000 39.30611 
1 1 1  -24    0    1 o  189.253   12.373  453.963   58.153  442.221   78.182  468.505   87.004  185.538   17.066  190.553   18.518 -5.015045 25.18220 
1 1 1  -24    0    2 o  143.411   12.520  261.553   44.387  281.311   58.932  235.650   67.478  147.892   16.224  133.893   20.861 13.99956 26.42720 
1 1 1  -24    0    3 o  210.534   12.065  560.890   63.166  586.281   85.736  530.745   93.418  214.154   16.151  202.907   18.645 11.24753 24.66775 
1 1 1  -24    0    4 o  308.809   13.527  1206.09  104.314  1199.23  145.059  1213.44  150.115  305.443   19.114  306.989   19.685 -1.545288 27.43843 
1 1 1  -24    0    5 o  196.044   12.398  486.996   60.385  574.349   83.083  389.181   87.917  212.042   15.804  172.786   20.793 39.25575 26.11750 
1 1 1  -24    0    6 o   76.764   16.818   77.885   31.348   84.860   39.688   66.317   51.114   79.774   19.969   72.776   24.124 6.997635 31.31671 
1 1 1  -24    0    7 o  181.173   11.923  415.835   53.642  440.104   72.899  387.177   79.216  185.391   15.900  172.984   18.632 12.40700 24.49446 
1 1 1  -24    0    8 o  205.245   11.678  533.021   59.607  528.152   81.453  538.635   87.461  203.073   16.197  204.745   17.267 -1.671463 23.67471 
1 1 1  -24    0    9 o  113.212   13.399  164.406   37.145  165.835   48.795  162.437   57.283  112.562   17.963  110.365   21.558 2.197586 28.06081 
1 1 1  -24    0   10 o  228.400   16.672  669.072   94.432  890.052  164.897  561.235  115.191  259.109   25.829  206.728   22.686 52.38033 34.37748 
1 1 1  -24    0   11 o  136.280   19.394  243.391   64.139  211.980  131.666  253.164   73.442  122.171   38.580  138.139   22.030 -15.96759 44.42723 
1 1 1  -24    0   12 o  162.026   12.376  333.987   49.697  342.494   68.090  324.288   72.701  162.780   17.002  157.745   18.828 5.035385 25.36814 
1 1 1  -24    0   13 o  106.160   13.221  145.040   34.290  145.511   45.152  144.398   52.708  105.111   17.840  103.763   21.061 1.347298 27.60096 
1 1 1  -24    0   14 o  164.724   11.897  345.097   48.610  347.056   66.905  342.907   70.746  163.803   16.585  162.415   17.731 1.387527 24.27867 
1 1 1  -24    0   15 o   58.673   17.020   45.224   26.398   33.275   33.344   65.290   43.208   54.278   19.419   70.577   22.074 -16.29916 29.39946 
1 1 1  -24    0   16 o  153.598   12.054  300.953   45.862  321.792   62.371  276.423   67.669  157.600   16.073  144.829   19.183 12.77122 25.02607 
1 1 1  -24    0   17 o  148.538   11.966  281.761   44.010  266.789   59.716  299.562   65.114  142.875   17.076  151.314   17.559 -8.439148 24.49243 
1 1 1  -24    0   18 o  128.581   12.241  212.044   38.830  168.757   51.818  267.480   58.641  112.373   19.153  143.037   16.734 -30.66409 25.43308 
1 1 1  -24    0   19 o  145.985   17.312  279.980   61.880  300.447   68.218  184.934  147.007  150.777   18.507  112.091   40.686 38.68584 44.69700 
1 1 1  -24    0   20 o   64.875   19.864   56.021   35.203   59.434   36.434   8.0670  136.565   66.635   20.168   79.500   35.101 -12.86552 40.48212 
1 1 1  -24    0   21 o  151.988   41.584  376.380  162.402   0.0000   0.0000  376.380  162.402  ?   ?   151.988   41.584 0.000000 41.58364 
1 1 1  -24    0   22 o  104.402   40.253  156.888  148.415   0.0000   0.0000  156.888  148.415  ?   ?   104.402   40.253 0.000000 40.25259 
1 1 1  -24    0   23 o  136.067   42.982  315.939  163.411   0.0000   0.0000  315.939  163.411  ?   ?   136.067   42.982 0.000000 42.98178 
1 1 1  -24    0   24 o   93.296   39.226   95.647  155.091   0.0000   0.0000   95.647  155.091  ?   ?    93.296   39.226 0.000000 39.22603 
1 1 1  -24    1    1 o  101.709   15.812  134.498   38.856  152.867   48.160  100.246   65.764  107.858   18.550   87.136   27.229 20.72207 32.94713 
1 1 1  -24    1    2 o  224.753   12.235  639.507   68.412  666.464   93.371  608.262  100.525  228.195   16.496  217.184   18.718 11.01135 24.94975 
1 1 1  -24    1    3 o  264.216   12.411  881.482   81.887  946.696  112.995  809.352  118.836  272.104   16.710  250.587   19.135 21.51666 25.40448 
1 1 1  -24    1    4 f  115.221   14.023  170.510   39.517  168.321   51.642  173.603   61.382  113.223   18.933  114.051   22.351 -0.8285446 29.29261 
1 1 1  -24    1    5 o   90.682   15.749  107.391   34.370  116.410   44.112   93.455   54.833   93.622   19.501   83.789   24.595 9.832382 31.38826 
1 1 1  -24    1    6 o   88.935   16.190  103.631   34.632  150.671   44.950   34.923   54.325  107.389   17.353   62.727   24.306 44.66110 29.86497 
1 1 1  -24    1    7 o  254.920   12.573  821.024   80.037  845.770  110.774  793.996  115.770  256.821   17.375  248.238   18.816 8.582764 25.61081 
1 1 1  -24    1    8 o  143.676   12.529  262.749   44.504  270.071   59.700  253.590   66.767  144.595   16.850  139.190   19.764 5.405380 25.97172 
1 1 1  -24    1    9 o  138.840   18.694  251.318   63.166  353.791  127.161  217.749   72.781  159.217   33.064  127.456   23.740 31.76082 40.70413 
1 1 1  -24    1   10 f  156.191   17.853  316.163   68.383  387.915  132.942  290.347   79.742  166.699   33.103  148.117   22.247 18.58258 39.88403 
1 1 1  -24    1   11 o  214.048   17.234  589.773   91.339  623.586  157.919  572.775  111.967  213.702   30.454  209.080   21.764 4.622253 37.43128 
1 1 1  -24    1   12 o  169.605   11.849  365.274   49.871  330.581   67.331  407.440   74.228  159.837   17.136  177.688   16.933 -17.85173 24.09130 
1 1 1  -24    1   13 o  260.871   12.704  862.245   82.762  907.981  115.252  813.552  118.920  265.458   17.484  250.434   19.161 15.02304 25.93899 
1 1 1  -24    1   14 o  173.332   11.732  381.754   50.481  405.569   69.561  355.256   73.375  177.439   15.866  165.215   18.080 12.22406 24.05434 
1 1 1  -24    1   15 f   98.760   14.073  126.556   33.725  129.803   44.411  122.133   51.833   98.744   18.695   94.766   22.278 3.978088 29.08306 
1 1 1  -24    1   16 o  314.056   13.682  1256.34  107.304  1266.34  150.937  1246.13  152.577  311.614   19.495  308.841   19.889 2.773346 27.85010 
1 1 1  -24    1   17 o  107.128   13.750  148.624   35.936  149.657   47.784  147.280   54.522  105.971   18.743  104.123   21.674 1.847916 28.65363 
1 1 1  -24    1   18 o  238.966   11.457  724.464   68.367  677.550   94.635  775.678   98.876  228.533   16.698  244.827   16.265 -16.29362 23.31063 
1 1 1  -24    1   19 o  262.650   17.845  900.671  116.346  869.971  140.251  968.419  208.345  255.083   22.240  259.625   32.872 -4.542053 39.68883 
1 1 1  -24    1   20 o  119.831   17.237  189.947   50.094  176.402   53.135  298.244  150.242  114.633   19.244  136.719   40.860 -22.08604 45.16443 
1 1 1  -24    1   21 o  117.621   16.991  183.228   48.460  154.372   51.052  445.960  154.045  106.677   19.896  170.272   37.264 -63.59447 42.24260 
1 1 1  -24    1   22 o  143.427   42.953  344.408  165.906   0.0000   0.0000  344.408  165.906  ?   ?   143.427   42.953 0.000000 42.95324 
1 1 1  -24    1   23 f  113.814   41.971  206.504  157.332   0.0000   0.0000  206.504  157.332  ?   ?   113.814   41.971 0.000000 41.97103 
1 1 1  -24    1   24 o  104.395   41.204  159.894  158.512   0.0000   0.0000  159.894  158.512  ?   ?   104.395   41.204 0.000000 41.20351 
1 1 1  -24    2    1 o  174.278   12.225  385.511   52.869  386.865   70.720  383.796   79.601  173.430   16.529  171.995   18.842 1.435303 25.06444 
1 1 1  -24    2    2 o  374.423   14.395  1778.58  134.595  1871.23  187.308  1679.66  193.536  380.935   19.758  359.715   21.646 21.22003 29.30777 
1 1 1  -24    2    3 f  250.995   12.360  795.822   77.468  845.579  106.222  739.286  113.226  257.015   16.640  239.301   19.107 17.71381 25.33665 
1 1 1  -24    2    4 o  183.199   12.424  425.868   56.500  469.881   76.688  373.616   83.559  191.441   16.193  169.294   20.162 22.14755 25.85943 
1 1 1  -24    2    5 o  190.759   12.077  461.184   57.232  487.214   77.688  430.290   84.634  194.992   16.099  182.284   18.866 12.70720 24.80092 
1 1 1  -24    2    6 o   63.100   18.075   52.213   29.941   36.102   37.344   81.207   50.097   57.116   20.538   78.450   23.628 -21.33431 31.30626 
1 1 1  -24    2    7 o  201.751   12.379  516.128   62.063  527.906   84.260  502.160   91.761  202.764   16.792  197.008   18.883 5.755630 25.26959 
1 1 1  -24    2    8 o  111.431   21.272  165.390   57.032  246.948  121.317  142.253   64.617  131.751   35.897  102.227   25.420 29.52384 43.98572 
1 1 1  -24    2    9 o  212.615   17.447  581.848   91.815  591.136  157.977  577.111  112.828  207.697   31.442  209.992   21.835 -2.294632 38.28065 
1 1 1  -24    2   10 o  340.498   19.003  1495.07  160.933  1668.61  247.313  1367.61  211.945  353.149   28.281  320.707   26.707 32.44263 38.89867 
1 1 1  -24    2   11 o  134.641   12.818  231.507   42.577  247.593   56.617  210.569   64.593  138.238   16.743  125.905   21.304 12.33241 27.09563 
1 1 1  -24    2   12 o  110.118   13.534  156.051   36.433  149.983   47.654  164.587   56.522  106.569   18.582  110.966   21.170 -4.396271 28.16875 
1 1 1  -24    2   13 o  316.664   12.993  1271.61  102.741  1304.70  143.814  1237.11  146.829  317.949   18.189  309.052   19.119 8.896698 26.38869 
1 1 1  -24    2   14 o  137.677   12.707  242.315   43.195  258.855   58.134  221.928   64.542  141.146   16.825  129.251   20.695 11.89532 26.67139 
1 1 1  -24    2   15 o  287.106   13.038  1047.10   93.480  1077.34  130.764  1015.48  133.686  288.354   18.254  279.336   19.283 9.018311 26.55273 
1 1 1  -24    2   16 o  155.806   12.767  310.385   49.236  320.321   67.575  299.142   71.884  156.696   17.572  150.597   19.578 6.099564 26.30711 
1 1 1  -24    2   17 o   93.233   14.533  113.593   32.733  106.165   42.393  124.558   51.511   88.660   19.663   95.496   22.047 -6.836594 29.54120 
1 1 1  -24    2   18 o  400.810   14.584  2057.89  145.972  2045.14  205.817  2070.80  207.061  393.785   21.006  396.260   21.000 -2.475494 29.70269 
1 1 1  -24    2   19 o  276.875   18.096  1001.42  124.426  962.392  151.884  1081.06  216.967  267.879   22.926  275.259   32.172 -7.380188 39.50463 
1 1 1  -24    2   20 o   90.766   18.712  111.301   41.004  100.922   42.681  235.653  147.729   85.923   20.227  122.568   41.024 -36.64510 45.73990 
1 1 1  -24    2   21 o  138.477   17.013  252.681   57.595  243.354   61.972  311.796  156.014  135.058   18.892  138.491   41.693 -3.432800 45.77391 
1 1 1  -24    2   22 o  237.711   16.753  738.911   98.813  623.336  113.098  1111.69  203.119  215.254   21.321  279.380   29.563 -64.12617 36.44939 
1 1 1  -24    2   23 o  178.118   42.112  521.138  184.358   0.0000   0.0000  521.138  184.358  ?   ?   178.118   42.112 0.000000 42.11160 
1 1 1  -24    2   25 o  126.069   44.098  279.672  171.151   0.0000   0.0000  279.672  171.151  ?   ?   126.069   44.098 0.000000 44.09841 
1 1 1  -24    3    1 o  167.968   12.296  358.561   51.216  325.727   67.441  403.294   78.720  158.671   17.301  176.460   18.122 -17.78929 25.05448 
1 1 1  -24    3    2 o  312.094   12.819  1232.60   99.909  1275.61  137.393  1184.33  145.544  315.224   17.523  302.796   19.349 12.42789 26.10487 
1 1 1  -24    3    3 o  133.663   13.231  228.346   43.582  241.207   57.502  210.986   66.810  136.346   17.276  125.898   22.054 10.44778 28.01521 
1 1 1  -24    3    4 o  166.404   12.440  351.916   51.320  391.175   68.570  301.922   77.379  174.555   15.905  151.553   21.011 23.00241 26.35250 
1 1 1  -24    3    5 o  123.818   13.453  196.376   40.928  242.167   53.536  131.974   63.490  137.010   15.946   98.443   25.590 38.56766 30.15162 
1 1 1  -24    3    6 o  186.273   17.694  447.793   81.317  400.430  139.898  471.961   99.932  168.833   34.351  189.870   21.453 -21.03777 40.49950 
1 1 1  -24    3    7 o  245.751   17.174  775.546  104.732  979.185  175.658  663.229  130.456  271.526   26.233  224.383   23.638 47.14317 35.31176 
1 1 1  -24    3    8 o  150.281   18.947  294.411   69.525  183.154  128.257  340.707   82.735  115.082   38.217  161.067   21.075 -45.98569 43.64311 
1 1 1  -24    3    9 o  207.368   17.292  553.818   88.729  601.070  152.953  529.852  108.932  210.023   30.017  200.895   22.078 9.128403 37.26239 
1 1 1  -24    3   10 o  346.351   14.157  1523.46  122.441  1602.57  171.264  1440.74  175.116  352.060   19.558  332.770   21.183 19.28912 28.83117 
1 1 1  -24    3   11 o   78.233   16.595   81.080   31.415   79.955   39.795   82.941   51.177   77.235   20.349   79.014   23.900 -1.778732 31.38906 
1 1 1  -24    3   12 o  125.103   13.105  200.523   40.334  176.473   53.267  232.844   61.750  115.599   19.121  133.146   19.121 -17.54675 27.04063 
1 1 1  -24    3   13 o  324.546   13.262  1337.03  107.485  1363.95  150.272  1308.82  153.803  324.756   18.607  317.576   19.488 7.180023 26.94481 
1 1 1  -24    3   14 o  116.812   13.360  175.498   38.270  174.440   50.262  176.958   59.036  115.102   18.083  114.860   21.369 0.2419128 27.99315 
1 1 1  -24    3   15 o  388.335   15.332  1928.85  148.681  1973.34  208.806  1883.09  211.758  387.712   21.653  377.951   22.539 9.761169 31.25481 
1 1 1  -24    3   16 o  158.730   12.044  321.319   47.384  325.845   63.762  315.737   70.814  158.480   16.346  155.113   18.656 3.367844 24.80434 
1 1 1  -24    3   17 o  125.021   12.846  200.842   39.534  180.318   52.635  227.408   59.882  116.552   18.718  131.128   18.827 -14.57669 26.54861 
1 1 1  -24    3   18 o  334.747   14.495  1435.12  121.166  1450.81  170.529  1419.12  172.193  331.746   20.688  327.698   21.155 4.048431 29.58912 
1 1 1  -24    3   19 o  242.886   18.431  772.785  110.956  833.835  133.812  638.433  198.506  250.184   21.631  203.646   40.460 46.53841 45.87968 
1 1 1  -24    3   20 o  241.055   17.375  758.888  103.890  703.207  121.223  912.907  201.613  229.421   21.407  251.207   32.932 -21.78603 39.27832 
1 1 1  -24    3   21 o  139.151   17.274  255.461   58.735  252.605   62.987  274.495  162.614  137.695   18.810  129.612   43.032 8.083115 46.96357 
1 1 1  -24    3   22 o  137.124   18.330  250.324   61.195  284.517   66.079   44.334  162.187  146.231   18.510   88.853   38.768 57.37829 42.96056 
1 1 1  -24    3   23 o   91.166   19.018  113.248   41.894  105.221   43.386  223.979  161.143   87.407   20.271  117.657   42.614 -30.25002 47.18925 
1 1 1  -24    3   24 o  214.455   42.201  752.782  217.951   0.0000   0.0000  752.782  217.951  ?   ?   214.455   42.201 0.000000 42.20090 
1 1 1  -24    3   25 o   72.027   33.842 -82.8140  155.225   0.0000   0.0000 -82.8140  155.225  ?   ?    72.027   33.842 0.000000 33.84224 
1 1 1  -24    4    1 o  124.340   20.206  204.633   60.587  224.927  111.783  196.192   72.095  125.448   34.573  120.112   24.856 5.336220 42.58049 
1 1 1  -24    4    2 o  263.012   17.068  889.229  111.495  1046.30  174.290  780.428  145.059  280.869   25.115  242.798   24.249 38.07054 34.91071 
1 1 1  -24    4    3 o  246.455   16.931  780.539  103.572  908.064  164.537  696.847  133.293  261.387   25.533  229.769   23.564 31.61821 34.74531 
1 1 1  -24    4    4 o  189.542   17.534  463.924   82.053  558.713  143.905  418.262   99.880  202.627   29.290  177.769   23.041 24.85780 37.26668 
1 1 1  -24    4    5 o  140.910   18.972  259.596   65.063  306.502  121.337  240.667   77.082  147.213   33.730  133.871   23.936 13.34195 41.35988 
1 1 1  -24    4    6 o  254.184   17.072  830.055  107.737  1014.97  174.957  717.105  136.738  276.534   25.627  233.072   23.829 43.46196 34.99335 
1 1 1  -24    4    7 o  149.772   18.790  292.542   68.730  271.816  128.545  300.839   81.331  137.350   36.755  150.658   22.291 -13.30814 42.98583 
1 1 1  -24    4    8 o  155.949   17.096  314.691   65.485  291.397  139.262  321.304   74.200  141.473   38.425  156.845   19.355 -15.37172 43.02410 
1 1 1  -24    4    9 o  134.814   13.112  232.398   43.583  263.161   58.028  192.589   66.010  142.580   16.609  119.713   22.916 22.86703 28.30175 
1 1 1  -24    4   10 o  199.930   12.425  507.808   61.729  563.043   84.220  443.692   90.738  209.326   16.239  184.275   20.042 25.05040 25.79476 
1 1 1  -24    4   11 o   51.691   17.747   31.670   27.656   37.844   34.353   20.298   46.623   56.748   19.762   54.941   22.124 1.806648 29.66514 
1 1 1  -24    4   12 o  147.462   12.226  277.128   44.616  250.377   59.126  312.500   67.990  138.636   17.466  154.950   17.901 -16.31372 25.01017 
1 1 1  -24    4   13 o  246.618   12.113  770.268   74.599  751.104  102.729  791.647  108.505  241.270   17.162  247.487   17.673 -6.216675 24.63513 
1 1 1  -24    4   14 o  152.506   12.390  296.768   46.778  285.119   62.478  311.629   70.566  147.995   17.228  154.265   18.700 -6.270172 25.42636 
1 1 1  -24    4   15 o  256.989   13.452  842.609   86.029  853.390  119.175  830.879  124.313  256.081   18.767  252.025   19.915 4.055496 27.36414 
1 1 1  -24    4   16 o  160.638   12.186  329.308   48.520  304.323   65.100  360.533   72.775  152.684   17.384  166.163   17.817 -13.47885 24.89236 
1 1 1  -24    4   17 o  107.624   14.089  150.314   36.957  144.588   48.119  158.550   57.708  103.905   19.254  107.891   22.161 -3.985634 29.35674 
1 1 1  -24    4   18 o   96.745   15.066  122.729   35.213  143.830   45.438   91.000   55.718  103.884   18.177   81.680   24.988 22.20450 30.90009 
1 1 1  -24    4   19 o  222.427   17.640  646.299   97.177  655.928  114.007  620.713  185.830  222.214   20.787  202.807   38.092 19.40710 43.39435 
1 1 1  -24    4   20 o  216.104   16.808  608.925   89.991  545.926  102.525  820.343  187.817  202.441   20.566  238.494   32.373 -36.05269 38.35308 
1 1 1  -24    4   21 o  100.449   18.205  135.498   43.985  117.761   45.695  359.203  162.279   92.790   20.286  148.647   41.910 -55.85636 46.56160 
1 1 1  -24    4   22 o   96.263   39.836  102.112  156.251   0.0000   0.0000  102.112  156.251  ?   ?    96.263   39.836 0.000000 39.83587 
1 1 1  -24    4   23 o  108.875   19.152  160.347   50.169  160.347   50.169   0.0000   0.0000  108.875   19.152  ?   ?  0.000000 19.15161 
1 1 1  -24    4   24 o  253.008   17.392  842.559  109.216  731.696  125.746  1183.03  220.366  232.218   21.945  284.373   31.564 -52.15535 38.44299 
1 1 1  -24    4   25 o  148.666   45.326  394.187  183.532   0.0000   0.0000  394.187  183.532  ?   ?   148.666   45.326 0.000000 45.32567 
1 1 1  -24    4   26 o  150.749   45.928  416.415  188.492   0.0000   0.0000  416.415  188.492  ?   ?   150.749   45.928 0.000000 45.92810 
1 1 1  -24    5    1 o  169.905   16.864  373.694   70.604  433.874  134.281  350.699   83.005  176.025   31.715  163.029   20.867 12.99557 37.96430 
1 1 1  -24    5    2 o   73.297   23.577   69.667   48.999   53.254  102.355   74.547   55.809   80.895   32.709   76.173   25.206 4.722679 41.29403 
1 1 1  -24    5    3 o  234.012   15.067  700.845   87.577  856.007  155.301  628.496  106.047  253.672   24.835  219.727   19.531 33.94490 31.59436 
1 1 1  -24    5    4 o  232.990   15.780  696.160   91.271  804.503  163.011  646.684  110.158  244.533   27.153  222.737   20.019 21.79651 33.73504 
1 1 1  -24    5    5 o  225.216   15.318  649.554   85.638  746.044  156.599  608.386  102.289  235.481   27.127  216.424   19.123 19.05772 33.18973 
1 1 1  -24    5    6 o   89.083   16.415  104.481   35.171   71.078   44.824  157.991   56.732   73.448   22.401  108.473   21.702 -35.02490 31.18926 
1 1 1  -24    5    7 o  134.239   13.199  230.621   43.674  235.750   57.725  223.755   66.790  134.494   17.610  129.727   21.361 4.767334 27.68420 
1 1 1  -24    5    8 o  253.113   12.534  811.343   79.225  916.057  109.014  694.131  115.336  267.143   16.421  230.750   20.220 36.39326 26.04779 
1 1 1  -24    5    9 o  171.616   11.922  374.258   50.777  397.146   68.135  345.668   76.151  175.718   15.693  162.680   19.109 13.03789 24.72682 
1 1 1  -24    5   10 o  186.152   11.763  439.940   54.399  411.473   72.981  475.530   81.604  178.557   16.556  191.807   17.221 -13.25026 23.88818 
1 1 1  -24    5   11 f  145.112   12.638  268.854   45.338  292.889   60.459  237.969   68.534  150.431   16.358  133.777   21.224 16.65384 26.79611 
1 1 1  -24    5   12 o  222.137   11.700  626.049   64.671  587.408   87.554  672.442   95.936  213.458   16.555  228.297   16.949 -14.83905 23.69234 
1 1 1  -24    5   13 o  123.184   13.252  194.926   40.122  169.835   52.484  230.209   62.237  113.115   19.271  132.030   19.460 -18.91518 27.38774 
1 1 1  -24    5   14 o  164.346   12.547  344.709   51.106  356.129   68.982  330.815   76.088  165.631   16.915  158.535   19.640 7.096191 25.92010 
1 1 1  -24    5   15 o  295.367   13.012  1109.51   95.974  1101.19  132.938  1118.56  138.702  291.120   18.381  292.986   19.061 -1.866791 26.47996 
1 1 1  -24    5   16 o  345.724   13.926  1525.58  120.225  1545.90  167.620  1504.04  172.532  343.888   19.600  338.471   20.509 5.417023 28.36909 
1 1 1  -24    5   17 o  194.173   12.130  480.844   58.522  452.503   79.543  514.287   86.407  186.339   17.291  198.593   17.606 -12.25400 24.67700 
1 1 1  -24    5   18 o  117.035   13.275  176.898   38.112  148.419   49.442  218.599   59.828  105.043   19.568  128.122   19.298 -23.07816 27.48341 
1 1 1  -24    5   19 o  244.798   18.425  785.614  111.805  830.019  134.230  685.008  202.044  249.351   21.775  211.483   39.716 37.86797 45.29408 
1 1 1  -24    5   20 o   81.970   19.920   91.800   40.375   88.580   41.911  133.313  150.491   80.372   20.742  101.804   40.158 -21.43198 45.19859 
1 1 1  -24    5   21 o   95.990   18.830  124.577   43.523  109.973   45.278  302.085  157.860   89.482   20.678  136.027   42.134 -46.54476 46.93483 
1 1 1  -24    5   22 o  162.089   17.141  345.892   68.328  326.887   74.132  453.201  176.154  156.423   19.394  166.382   42.303 -9.959076 46.53685 
1 1 1  -24    5   23 o   70.640   19.557   68.173   35.676   61.448   36.560  202.231  163.236   67.389   20.159  113.527   42.575 -46.13783 47.10653 
1 1 1  -24    5   24 o  135.054   17.497  242.544   57.623  233.411   60.846  321.954  179.422  131.726   19.051  135.502   45.212 -3.775909 49.06125 
1 1 1  -24    5   25 o  201.886   17.066  537.880   85.231  477.504   93.443  836.798  207.917  188.137   20.206  231.488   37.230 -43.35069 42.35941 
1 1 1  -24    5   26 o  256.539   17.906  873.838  113.993  760.064  130.257  1246.02  235.589  235.242   22.446  286.730   33.536 -51.48863 40.35457 
1 1 1  -24    6    1 o   87.875   16.870  102.381   35.673   86.829   44.791  129.357   58.991   80.052   21.812   96.960   24.387 -16.90807 32.71836 
1 1 1  -24    6    2 o   69.780   18.624   65.158   33.057   84.646   41.869   32.904   53.864   79.153   20.881   61.425   24.090 17.72804 31.88015 
1 1 1  -24    6    3 o  102.871   15.146  137.843   37.743  165.351   48.404   95.174   60.284  112.029   17.905   84.126   26.034 27.90290 31.59685 
1 1 1  -24    6    4 o  189.535   11.903  456.521   56.051  469.277   74.209  439.577   85.526  190.959   15.701  183.544   18.932 7.415527 24.59538 
1 1 1  -24    6    5 o  238.706   12.427  724.030   73.819  770.488   99.935  668.241  109.512  244.696   16.450  226.409   19.561 18.28642 25.55896 
1 1 1  -24    6    6 o  104.004   14.469  140.256   36.562  130.148   46.735  156.202   58.697   98.681   19.656  107.413   22.599 -8.732285 29.95102 
1 1 1  -24    6    7 o  136.003   13.433  237.125   45.025  281.085   59.677  179.030   68.603  147.268   16.512  114.458   24.725 32.81064 29.73104 
1 1 1  -24    6    8 o  281.310   12.505  1003.04   87.844  1114.05  120.821  878.543  127.945  294.423   16.500  259.662   19.883 34.76135 25.83729 
1 1 1  -24    6    9 o  212.699   11.988  574.534   63.413  597.603   85.729  546.663   94.231  215.532   16.043  205.050   18.605 10.48203 24.56705 
1 1 1  -24    6   10 o  310.937   12.443  1225.65   96.614  1167.82  132.663  1290.97  140.983  300.704   17.746  316.099   17.934 -15.39511 25.22985 
1 1 1  -24    6   11 o  256.200   12.298  832.050   78.682  851.486  108.584  810.562  114.172  256.904   17.022  249.942   18.422 6.962067 25.08239 
1 1 1  -24    6   12 o  153.767   12.566  301.921   47.830  280.927   63.404  329.648   72.863  146.706   17.662  158.654   18.754 -11.94791 25.76124 
1 1 1  -24    6   13 o  145.401   12.664  270.382   45.524  280.011   60.372  257.691   69.309  146.710   16.781  139.290   20.543 7.420349 26.52524 
1 1 1  -24    6   14 o  161.717   12.346  333.826   49.480  304.910   65.968  371.018   74.815  152.786   17.613  168.533   18.058 -15.74666 25.22493 
1 1 1  -24    6   15 o  302.555   13.144  1165.45   99.309  1262.58  138.322  1062.14  142.667  311.938   17.831  284.496   20.213 27.44162 26.95389 
1 1 1  -24    6   16 f  224.058   12.436  640.174   69.310  591.220   94.618  696.862  101.817  212.892   17.965  231.350   17.759 -18.45737 25.26168 
1 1 1  -24    6   17 o  165.525   12.245  350.236   50.257  368.251   67.621  328.005   75.116  168.284   16.295  157.379   19.533 10.90536 25.43785 
1 1 1  -24    6   18 o   97.748   15.555  125.754   36.696  154.060   48.780   88.853   55.697  107.252   18.904   80.728   25.031 26.52444 31.36741 
1 1 1  -24    6   19 o  137.570   18.012  250.217   60.393  259.526   65.242  194.493  159.633  139.626   19.221  114.220   42.246 25.40621 46.41311 
1 1 1  -24    6   20 f  168.319   17.623  372.659   72.975  387.636   81.012  308.206  168.055  170.842   19.329  136.856   43.627 33.98671 47.71669 
1 1 1  -24    6   21 o  126.023   43.618  260.039  167.227   0.0000   0.0000  260.039  167.227  ?   ?   126.023   43.618 0.000000 43.61771 
1 1 1  -24    6   22 o  118.024   19.509  187.978   55.489  187.978   55.489   0.0000   0.0000  118.024   19.509  ?   ?  0.000000 19.50877 
1 1 1  -24    6   23 o  100.663   18.333  136.757   44.387  118.842   46.063  369.685  166.094   92.938   20.406  148.606   42.574 -55.66805 47.21185 
1 1 1  -24    6   24 o   92.756   19.150  117.530   42.887  113.081   44.239  186.987  174.801   90.613   20.079  110.331   43.357 -19.71810 47.78069 
1 1 1  -24    6   25 o   59.725   19.231   46.919   32.593   42.210   33.181  176.107  173.808   57.574   19.442  107.611   42.932 -50.03648 47.12888 
1 1 1  -24    6   26 o  209.077   18.287  583.089   94.519  585.828  105.144  571.558  215.769  207.885   20.522  175.947   47.846 31.93762 52.06120 
1 1 1  -24    7    1 o  213.037   12.218  578.280   64.727  592.585   86.097  559.686   98.160  214.046   16.228  206.541   19.254 7.504990 25.18054 
1 1 1  -24    7    2 o  164.402   12.637  345.443   51.485  364.567   67.603  319.034   79.442  167.644   16.357  154.813   21.099 12.83121 26.69624 
1 1 1  -24    7    3 o   92.298   16.478  112.535   36.587  109.515   46.551  117.415   59.176   89.796   21.115   92.253   25.044 -2.456474 32.75715 
1 1 1  -24    7    4 o   83.214   17.366   92.336   34.920   81.841   43.771  110.710   57.916   77.807   21.706   89.756   24.943 -11.94839 33.06520 
1 1 1  -24    7    5 o  123.899   13.713  197.709   41.716  180.805   53.710  223.411   66.229  116.771   19.078  129.259   21.257 -12.48790 28.56290 
1 1 1  -24    7    6 o  118.573   13.738  181.246   39.925  161.274   51.299  211.929   63.584  110.070   19.371  125.970   20.949 -15.90021 28.53186 
1 1 1  -24    7    7 o  147.474   12.637  277.977   46.090  268.421   59.849  291.905   72.251  143.561   17.026  148.694   19.962 -5.132889 26.23702 
1 1 1  -24    7    8 o  213.766   12.308  581.369   65.423  616.513   88.169  538.312   97.591  218.667   16.263  202.839   19.507 15.82726 25.39729 
1 1 1  -24    7    9 o  286.540   12.349  1041.50   88.363  1082.57  120.785  994.208  129.609  289.787   16.763  276.503   18.884 13.28363 25.25039 
1 1 1  -24    7   10 f  188.575   12.307  452.923   57.637  472.970   77.617  428.278   86.059  191.286   16.408  180.753   19.368 10.53325 25.38329 
1 1 1  -24    7   11 o   96.847   15.060  122.563   35.239   99.660   44.786  159.789   57.098   85.694   21.075  108.686   21.796 -22.99155 30.31882 
1 1 1  -24    7   12 f   76.043   17.436   77.408   32.403   89.050   40.818   57.568   53.285   81.116   20.222   69.247   24.572 11.86880 31.82280 
1 1 1  -24    7   13 f  129.311   13.512  215.211   42.989  179.057   56.115  266.573   66.884  115.689   20.157  142.026   19.363 -26.33665 27.95020 
1 1 1  -24    7   14 o  163.516   12.437  341.653   50.404  343.177   67.107  339.680   76.349  162.385   16.792  160.459   19.452 1.925522 25.69677 
1 1 1  -24    7   15 o  203.104   12.069  525.753   60.939  547.451   82.591  499.827   90.282  205.613   16.217  195.243   18.748 10.37045 24.78851 
1 1 1  -24    7   16 o   93.387   15.324  114.703   34.497  114.599   43.958  114.869   55.661   92.025   19.722   91.054   24.102 0.9710693 31.14230 
1 1 1  -24    7   17 o   73.122   16.888   71.798   30.215   47.884   37.132  118.664   51.981   61.534   20.568   92.750   22.641 -31.21588 30.58816 
1 1 1  -24    7   18 o  121.252   17.999  195.040   52.845  178.802   56.088  323.371  157.678  115.129   20.248  142.314   41.689 -27.18479 46.34582 
1 1 1  -24    7   19 o   75.188   20.126   77.134   38.537   69.680   39.808  188.363  153.771   71.691   20.931  112.451   41.489 -40.76070 46.46961 
1 1 1  -24    7   20 o  125.848   43.764  257.730  168.448   0.0000   0.0000  257.730  168.448  ?   ?   125.848   43.764 0.000000 43.76410 
1 1 1  -24    7   21 o  137.539   19.364  253.378   64.668  253.378   64.668   0.0000   0.0000  137.539   19.364  ?   ?  0.000000 19.36435 
1 1 1  -24    7   22 o  137.013   17.811  249.320   59.499  246.105   63.465  272.660  171.000  135.423   19.314  127.497   44.108 7.926338 48.15139 
1 1 1  -24    7   23 o  105.273   18.689  149.743   47.331  139.131   49.237  278.910  171.778  100.756   20.271  128.010   44.213 -27.25310 48.63837 
1 1 1  -24    7   24 o   75.245   20.292   78.166   39.001   85.182   40.130 -41.3142  165.613   78.474   20.318   78.695   36.284 -0.2211151 41.58568 
1 1 1  -24    7   25 o   89.455   19.417  110.081   42.130  110.539   43.393  102.553  175.884   89.458   19.934   96.684   41.258 -7.225861 45.82102 
1 1 1  -24    7   26 o  147.907   17.705  292.400   64.093  283.918   67.695  365.816  199.157  144.918   19.177  138.669   47.622 6.248703 51.33865 
1 1 1  -24    8    1 o  199.935   12.504  510.986   62.114  514.838   82.512  505.947   94.360  198.872   16.771  195.717   19.569 3.154770 25.77252 
1 1 1  -24    8    2 o  196.453   12.198  492.553   59.546  467.591   78.317  526.753   91.671  189.602   16.712  200.428   18.525 -10.82668 24.94947 
1 1 1  -24    8    3 o  100.936   15.677  133.762   38.234  134.162   48.220  133.085   62.746   99.681   20.066   97.695   25.461 1.986290 32.41771 
1 1 1  -24    8    4 o  102.520   15.577  137.747   38.623  152.718   49.186  113.669   62.377  106.893   19.129   90.555   26.133 16.33839 32.38623 
1 1 1  -24    8    5 o   58.878   18.963   44.300   31.690   36.222   38.555   61.120   55.637   57.115   20.820   70.876   25.113 -13.76045 32.62077 
1 1 1  -24    8    6 o  137.888   13.178  244.155   44.824  282.220   58.540  190.210   69.690  147.359   16.174  117.585   24.528 29.77448 29.38055 
1 1 1  -24    8    7 o  130.411   13.361  218.740   42.897  223.766   55.438  211.241   67.719  130.618   17.431  124.921   22.538 5.697784 28.49190 
1 1 1  -24    8    8 o  214.691   12.001  586.565   64.082  548.474   85.207  636.166   97.231  205.757   16.728  221.196   17.752 -15.43938 24.39198 
1 1 1  -24    8    9 o  220.311   12.382  618.341   67.842  651.085   90.865  577.096  101.981  224.467   16.322  209.641   19.712 14.82571 25.59223 
1 1 1  -24    8   10 o  327.279   13.000  1363.05  106.248  1371.86  146.084  1353.15  154.810  325.053   18.068  321.924   19.347 3.129089 26.47202 
1 1 1  -24    8   11 o  101.653   15.259  135.140   37.539  190.381   48.798   55.055   58.755  120.552   16.654   69.581   25.650 50.97047 30.58275 
1 1 1  -24    8   12 o  154.683   12.595  306.173   48.229  301.155   63.624  312.951   73.945  151.888   17.070  153.792   19.707 -1.903946 26.07248 
1 1 1  -24    8   13 o  194.893   12.514  484.974   60.584  505.976   81.478  459.004   90.604  197.423   16.683  186.552   19.749 10.87141 25.85262 
1 1 1  -24    8   14 o   76.039   17.639   77.748   32.846   69.038   41.156   93.026   54.510   71.716   21.375   82.459   24.604 -10.74332 32.59198 
1 1 1  -24    8   15 o  213.346   12.696  581.728   67.333  572.050   91.530  593.144   99.404  209.323   17.676  212.502   18.931 -3.178925 25.89972 
1 1 1  -24    8   16 o  237.556   12.165  719.866   71.922  707.506   97.772  734.442  106.173  233.227   16.902  236.970   18.078 -3.743317 24.74881 
1 1 1  -24    8   17 o   56.973   19.937   38.957   34.986   32.222   35.939  160.784  152.863   54.397   20.060  107.521   40.999 -53.12421 45.64355 
1 1 1  -24    8   18 o  167.304   17.710  368.101   72.865  369.375   80.138  362.026  175.038  166.658   19.633  148.176   44.062 18.48140 48.23759 
1 1 1  -24    8   19 o   90.450   20.187  111.864   44.440  113.669   46.248   90.128  160.517   90.996   20.805   95.636   40.041 -4.640060 45.12411 
1 1 1  -24    8   20 o   54.710   19.600   34.830   33.980   39.881   34.780 -71.1731  159.334   57.176   19.886   75.407   35.053 -18.23100 40.30054 
1 1 1  -24    8   21 o  144.586   17.851  277.157   63.085  272.275   67.368  311.932  179.811  142.543   19.432  135.085   45.260 7.458557 49.25521 
1 1 1  -24    8   22 o  110.257   18.620  163.703   49.440  151.429   51.647  298.156  170.945  105.230   20.391  132.406   44.128 -27.17688 48.61159 
1 1 1  -24    8   23 o  143.943   17.707  275.320   62.305  261.493   66.313  379.434  181.960  139.310   19.604  147.404   45.167 -8.093658 49.23793 
1 1 1  -24    8   24 o   95.500   19.702  125.145   45.426  131.134   47.026   41.601  175.636   97.710   19.948   89.391   39.620 8.319305 44.35794 
1 1 1  -24    8   25 o   92.756   19.609  118.460   44.000  119.423   45.415  103.728  177.641   92.929   20.151   96.812   41.391 -3.882751 46.03575 
1 1 1  -24    8   26 o  120.560   18.352  196.471   53.506  189.113   55.563  290.344  198.457  117.630   19.606  124.816   46.917 -7.186119 50.84895 
1 1 1  -24    9    1 o  137.316   13.380  243.507   45.297  219.940   57.403  282.398   73.743  128.559   18.406  144.706   21.022 -16.14684 27.94119 
1 1 1  -24    9    2 o  120.814   14.250  189.670   42.164  141.524   53.264  270.482   69.007  101.557   21.663  142.185   19.987 -40.62743 29.47495 
1 1 1  -24    9    3 f  118.784   14.624  183.653   42.463  212.574   54.138  137.413   68.455  126.852   17.562   98.502   27.018 28.34963 32.22369 
1 1 1  -24    9    4 o  109.053   14.989  155.391   39.739  158.985   50.463  149.523   64.479  108.849   19.270  103.347   25.209 5.501701 31.73087 
1 1 1  -24    9    5 o  153.591   12.598  302.367   47.895  270.879   61.880  349.416   75.640  143.537   17.635  162.658   18.979 -19.12099 25.90721 
1 1 1  -24    9    6 f   88.251   17.138  103.913   36.406  106.257   45.973   99.973   59.619   88.162   21.152   85.218   25.800 2.944168 33.36302 
1 1 1  -24    9    7 o  103.747   15.731  141.303   39.476  140.769   50.174  142.170   63.956  101.993   20.412  100.884   25.402 1.108360 32.58725 
1 1 1  -24    9    8 o   84.436   16.998   95.175   34.601   69.507   43.365  140.149   57.402   72.082   22.043  100.827   23.270 -28.74481 32.05353 
1 1 1  -24    9    9 o  132.370   13.642  225.951   44.447  235.667   57.889  211.998   69.373  133.794   17.766  124.627   23.143 9.166924 29.17574 
1 1 1  -24    9   10 o  226.797   12.156  655.660   68.597  652.762   91.921  659.302  103.052  224.369   16.522  224.423   18.555 -0.5468750E-01 24.84470 
1 1 1  -24    9   11 o   79.103   17.713   84.127   34.119   90.521   43.024   73.292   56.009   81.438   21.015   75.079   25.260 6.358765 32.85832 
1 1 1  -24    9   12 o  414.817   14.454  2204.72  149.726  2314.25  208.060  2087.08  215.631  420.300   19.823  396.655   21.854 23.64505 29.50517 
1 1 1  -24    9   13 o  142.035   13.097  259.412   45.932  226.741   59.708  306.774   71.890  130.686   18.840  152.119   19.364 -21.43266 27.01694 
1 1 1  -24    9   14 o  110.015   14.535  157.702   38.953  148.886   50.080  171.207   61.980  105.058   19.815  111.583   23.008 -6.524956 30.36474 
1 1 1  -24    9   15 o  191.443   13.359  470.549   63.467  419.347   90.541  520.013   88.990  177.217   20.859  199.085   18.098 -21.86812 27.61525 
1 1 1  -24    9   16 o  121.066   19.345  196.295   56.515  212.527   60.193   75.498  164.203  125.875   19.804   94.583   40.096 31.29166 44.71972 
1 1 1  -24    9   17 o   91.294   20.757  114.233   46.251  121.061   48.278   38.016  161.291   93.921   21.099   88.671   38.676 5.249786 44.05679 
1 1 1  -24    9   18 f   82.371   21.035   93.398   43.421  105.255   45.087 -58.1539  161.192   87.475   20.922   77.330   35.704 10.14507 41.38282 
1 1 1  -24    9   19 o  100.811   41.511  120.099  168.531   0.0000   0.0000  120.099  168.531  ?   ?   100.811   41.511 0.000000 41.51113 
1 1 1  -24    9   20 o   91.631   20.748  115.594   46.373  115.594   46.373   0.0000   0.0000   91.631   20.748  ?   ?  0.000000 20.74847 
1 1 1  -24    9   21 o   63.529   20.175   53.411   35.966   43.663   36.795  262.449  170.389   59.250   20.463  125.258   43.990 -66.00754 48.51610 
1 1 1  -24    9   22 o   80.684   20.227   89.826   40.678   85.247   41.943  162.319  166.885   78.484   20.992  106.237   42.167 -27.75346 47.10355 
1 1 1  -24    9   23 o   65.480   20.384   57.620   36.896   61.997   37.770 -33.6584  172.490   67.603   20.551   80.878   37.195 -13.27567 42.49461 
1 1 1  -24    9   24 o  155.068   17.938  320.491   68.178  318.146   73.088  336.207  189.221  153.647   19.487  136.006   46.425 17.64120 50.34891 
1 1 1  -24    9   25 o  121.613   19.220  200.859   56.430  218.645   59.155   21.037  188.096  126.958   19.264   88.124   39.873 38.83327 44.28235 
1 1 1  -24    9   26 o  101.957   43.224  142.793  190.837   0.0000   0.0000  142.793  190.837  ?   ?   101.957   43.224 0.000000 43.22369 
1 1 1  -24   10    1 o  128.826   19.866  224.095   61.853  191.160   66.082  456.990  175.726  117.137   23.410  166.605   42.193 -49.46798 48.25186 
1 1 1  -24   10    2 o  176.833   18.119  413.425   78.880  363.856   86.206  668.427  195.526  163.916   21.585  206.906   39.279 -42.99063 44.81932 
1 1 1  -24   10    3 o   70.894   22.578   67.312   45.019   64.685   46.838   99.172  163.116   70.032   23.087   97.039   40.474 -27.00729 46.59555 
1 1 1  -24   10    4 o  247.990   18.470  809.110  113.562  756.081  132.286  957.674  221.419  236.688   22.658  253.279   36.023 -16.59077 42.55646 
1 1 1  -24   10    5 o  245.820   12.429  772.636   76.052  801.212  101.661  736.321  114.604  248.147   16.500  235.878   19.635 12.26959 25.64703 
1 1 1  -24   10    6 o   78.307   18.417   83.112   35.409  124.871   44.528   11.286   58.398   96.089   19.228   56.693   23.966 39.39646 30.72573 
1 1 1  -24   10    7 o  114.483   14.601  170.820   40.791  164.946   51.624  180.584   66.554  110.776   19.367  114.038   24.124 -3.261703 30.93620 
1 1 1  -24   10    8 o   39.658   16.778   2.9775   28.658  -5.6825   34.159   23.560   52.662   40.400   17.705   57.717   23.418 -17.31685 29.35767 
1 1 1  -24   10    9 o  165.415   12.396  350.470   50.833  311.115   66.091  407.472   79.541  153.868   17.513  175.905   18.379 -22.03729 25.38675 
1 1 1  -24   10   10 o   57.731   18.748   42.659   30.930   46.758   38.204   34.860   52.692   61.209   20.861   61.098   23.864 0.1107025 31.69637 
1 1 1  -24   10   11 o   62.098   18.801   51.046   31.659   56.517   39.048   40.550   54.084   65.676   21.039   63.301   24.328 2.375664 32.16323 
1 1 1  -24   10   12 o   54.332   18.999   35.216   31.766   26.013   39.803   51.360   52.720   53.462   20.780   66.455   24.327 -12.99267 31.99429 
1 1 1  -24   10   13 o  257.745   17.930  869.386  114.687  762.479  133.217  1175.48  225.417  238.060   22.683  286.375   32.072 -48.31453 39.28270 
1 1 1  -24   10   14 o  202.965   17.790  540.368   89.256  507.079  100.024  670.482  197.752  194.825   20.885  208.771   39.375 -13.94514 44.57136 
1 1 1  -24   10   15 f  149.880   18.564  297.814   67.994  302.940   73.320  266.330  181.718  150.497   20.005  127.528   45.363 22.96869 49.57851 
1 1 1  -24   10   16 o  132.220   18.898  233.283   60.622  237.876   64.552  198.970  176.440  133.021   20.056  114.820   43.984 18.20084 48.34128 
1 1 1  -24   10   17 o  233.242   17.910  714.745  103.519  658.422  118.241  899.622  214.223  221.298   21.675  244.862   36.119 -23.56367 42.12325 
1 1 1  -24   10   18 o  270.131   18.338  960.774  122.966  855.535  143.489  1251.77  238.601  251.049   23.149  292.297   33.282 -41.24725 40.54103 
1 1 1  -24   10   19 o   64.742   20.959   55.165   38.674   71.616   39.690 -253.7335  171.989   72.363   20.835   64.336   31.536 8.026924 37.79757 
1 1 1  -24   10   20 o  136.045   18.526  247.214   61.302  245.889   65.032  257.785  183.647  135.031   19.881  123.796   45.392 11.23463 49.55460 
1 1 1  -24   10   21 o  147.800   17.504  289.559   63.350  252.800   67.131  588.555  191.460  136.643   20.290  190.339   41.455 -53.69620 46.15379 
1 1 1  -24   10   22 o  148.031   18.546  292.877   67.051  312.797   71.909  160.213  185.577  152.646   19.296  106.670   43.699 45.97577 47.76959 
1 1 1  -24   10   23 o   82.589   20.728   94.796   42.683  103.472   43.965 -47.4719  178.031   86.325   20.669   80.326   37.240 5.998810 42.59147 
1 1 1  -24   10   24 o  134.193   18.204  241.670   59.428  228.724   62.230  375.749  200.269  129.669   19.850  141.463   47.764 -11.79385 51.72409 
1 1 1  -24   10   25 o  215.459   18.138  618.924   96.684  585.880  107.322  761.258  222.738  207.387   21.013  210.609   43.780 -3.221512 48.56154 
1 1 1  -24   11    1 o  136.386   19.653  251.650   65.001  219.612   69.435  478.707  184.849  125.524   22.999  166.947   43.794 -41.42274 49.46616 
1 1 1  -24   11    2 f   83.215   23.217   97.278   50.073  102.972   52.368   36.546  171.030   85.439   23.709   88.306   39.120 -2.867226 45.74373 
1 1 1  -24   11    3 o   71.755   23.039   69.592   46.805   74.645   48.600   4.9571  173.824   73.966   23.448   85.501   38.540 -11.53555 45.11298 
1 1 1  -24   11    4 o  222.124   17.908  650.671   98.490  579.816  112.099  890.488  206.233  206.818   22.045  243.627   34.895 -36.80838 41.27538 
1 1 1  -24   11    5 o   61.138   21.785   45.100   41.926   35.234   43.256  198.154  170.369   57.788   21.863  113.360   43.270 -55.57279 48.47948 
1 1 1  -24   11    6 o   46.882   19.575   9.0172   38.211   1.9587   39.289  132.399  164.263   45.349   19.429  102.038   41.374 -56.68911 45.70858 
1 1 1  -24   11    7 o   52.961   20.592   25.830   39.094   31.483   40.229 -70.0652  165.687   55.459   21.060   76.941   35.758 -21.48211 41.49933 
1 1 1  -24   11    8 o  114.328   20.268  177.223   55.746  156.635   58.544  377.236  182.478  106.319   22.739  149.241   45.127 -42.92226 50.53258 
1 1 1  -24   11    9 f   86.936   22.392  104.905   48.909  136.182   51.079 -239.9649  169.612   99.589   21.190   64.886   31.702 34.70310 38.13187 
1 1 1  -24   11   10 o  110.896   20.200  166.785   53.878  157.368   56.637  256.429  174.748  106.942   21.944  125.303   44.494 -18.36139 49.61107 
1 1 1  -24   11   11 o  136.991   18.734  249.977   62.406  224.192   66.387  445.843  182.970  128.393   21.464  164.305   43.797 -35.91209 48.77398 
1 1 1  -24   11   12 o  112.519   19.975  171.332   54.071  158.312   56.783  297.987  177.096  107.261   21.939  133.430   44.916 -26.16904 49.98774 
1 1 1  -24   11   13 o  229.253   18.041  691.022  102.448  626.103  115.928  922.493  218.903  215.676   21.825  247.638   36.492 -31.96164 42.52081 
1 1 1  -24   11   14 o  180.494   17.672  428.955   78.629  374.922   85.442  727.845  200.953  166.910   20.961  217.530   38.397 -50.61942 43.74620 
1 1 1  -24   11   15 o   73.432   21.757   73.652   42.736   78.518   44.149   1.2499  170.292   75.622   22.033   85.242   38.311 -9.620621 44.19478 
1 1 1  -24   11   16 o   97.116   21.291  130.055   50.211  140.626   52.440   13.562  174.088  101.008   21.452   87.206   38.997 13.80260 44.50771 
1 1 1  -24   11   17 f  258.281   19.941  888.242  127.619  956.580  150.687  714.874  240.010  265.449   22.958  203.275   48.042 62.17441 53.24588 
1 1 1  -24   11   18 o  224.003   18.565  664.141  102.913  634.471  116.354  770.765  220.574  216.629   21.805  218.761   41.903 -2.132187 47.23663 
1 1 1  -24   11   19 o  102.509   20.710  144.362   51.188  158.581   52.897 -65.1360  203.045  107.684   20.418   84.205   39.284 23.47983 44.27372 
1 1 1  -24   11   20 o  156.358   18.440  325.822   70.617  333.613   75.910  275.736  192.469  157.541   19.728  125.966   46.426 31.57548 50.44400 
1 1 1  -24   11   21 o   71.323   21.247   69.748   40.675   74.900   41.724 -28.8239  182.511   73.683   21.405   83.240   38.273 -9.556282 43.85204 
1 1 1  -24   11   22 o  206.496   18.347  566.903   93.621  555.398  103.747  617.363  217.270  202.659   20.795  187.079   46.663 15.57957 51.08722 
1 1 1  -24   11   23 o   78.440   20.774   85.667   41.336   85.166   42.366   95.599  188.673   78.144   21.181   97.003   42.073 -18.85943 47.10402 
1 1 1  -24   11   24 o   83.353   20.552   96.938   42.509  100.658   43.641   28.048  187.814   84.881   20.761   88.587   39.984 -3.706039 45.05279 
1 1 1  -24   11   25 o  174.014   18.340  406.276   78.494  398.769   83.720  460.834  225.708  171.330   19.941  150.450   50.707 20.88019 54.48704 
1 1 1  -24   12    1 o   60.574   22.546   42.405   45.607   39.242   47.246   85.637  174.646   59.923   22.807   93.293   40.472 -33.37019 46.45544 
1 1 1  -24   12    2 o   62.562   22.463   48.183   44.657   50.518   46.238   15.795  172.234   63.796   22.862   85.032   38.343 -21.23538 44.64157 
1 1 1  -24   12    3 o  121.820   20.966  204.028   61.480  188.578   65.324  323.845  181.913  115.761   23.402  133.967   45.521 -18.20602 51.18391 
1 1 1  -24   12    4 o   87.982   22.698  109.029   50.201  101.595   52.331  194.814  177.766   84.747   23.766  111.016   43.692 -26.26861 49.73768 
1 1 1  -24   12    5 o   97.130   22.117  131.826   52.444  144.546   55.015   5.1640  173.607  101.738   22.272   85.034   38.406 16.70374 44.39643 
1 1 1  -24   12    6 o  103.210   22.049  148.171   55.103  164.623   57.939  -7.6439  178.303  108.918   22.059   84.744   38.532 24.17371 44.39894 
1 1 1  -24   12    7 o   44.407   18.859   4.2966   36.433   5.2452   37.292 -15.5711  170.661   45.154   19.123   82.672   37.631 -37.51842 42.21124 
1 1 1  -24   12    8 o  179.465   18.410  427.582   81.337  401.001   89.027  561.807  200.058  172.146   21.155  182.696   44.307 -10.55070 49.09803 
1 1 1  -24   12    9 o  111.909   21.199  171.901   57.073  170.278   60.048  187.072  183.609  110.790   22.473  111.539   44.243 -0.7484055 49.62335 
1 1 1  -24   12   10 o   74.711   22.480   76.653   45.362   83.654   46.908 -24.3856  178.200   77.738   22.728   83.530   38.188 -5.791832 44.44014 
1 1 1  -24   12   11 o   62.305   21.622   48.555   41.108   36.221   42.255  266.556  177.650   57.791   21.663  125.746   44.840 -67.95517 49.79845 
1 1 1  -24   12   12 o  106.376   20.857  155.168   53.423  148.730   55.849  224.497  183.271  103.509   22.267  117.977   44.915 -14.46764 50.13134 
1 1 1  -24   12   13 o   98.814   20.917  134.426   50.005  118.474   51.848  347.002  189.267   92.054   22.698  140.611   46.412 -48.55664 51.66533 
1 1 1  -24   12   14 o  178.995   17.129  421.781   75.627  320.835   80.456  1187.78  221.628  153.603   21.570  285.834   31.577 -132.2307 38.24104 
1 1 1  -24   12   15 o  100.024   21.075  137.945   50.980  139.562   53.131  119.186  180.996  100.318   21.829  101.046   42.424 -0.7277985 47.71101 
1 1 1  -24   12   16 o  104.654   20.886  150.561   52.672  155.436   55.048   97.736  181.216  106.103   21.513   97.998   41.850 8.104729 47.05512 
1 1 1  -24   12   17 o  196.805   46.488  667.731  224.831   0.0000   0.0000  667.731  224.831  ?   ?   196.805   46.488 0.000000 46.48816 
1 1 1  -24   12   18 o  108.288   21.180  161.571   55.223  161.571   55.223   0.0000   0.0000  108.288   21.180  ?   ?  0.000000 21.18021 
1 1 1  -24   12   19 o   92.996   20.901  119.813   47.355  118.036   48.961  145.576  186.421   92.016   21.666  104.488   43.398 -12.47171 48.50589 
1 1 1  -24   12   20 o   91.669   20.997  116.715   47.032  121.993   48.607   39.203  186.278   93.653   21.269   90.707   40.467 2.945549 45.71560 
1 1 1  -24   12   21 o   56.037   20.156   37.200   35.969   34.765   36.667   99.328  185.238   55.235   20.278   97.401   41.967 -42.16682 46.60942 
1 1 1  -24   12   22 o   84.016   21.113   98.658   44.242   94.227   45.419  180.908  195.665   81.945   21.810  108.762   44.750 -26.81716 49.78222 
1 1 1  -24   12   23 o   83.174   20.995   96.851   43.612   97.659   44.721   81.180  197.032   83.411   21.373   95.533   42.171 -12.12201 47.27813 
1 1 1  -24   12   24 o   55.998   20.036   37.893   35.499   40.904   36.118 -47.6495  192.510   57.453   20.247   81.599   38.130 -24.14651 43.17220 
1 1 1  -24   13    1 o   93.611   23.662  126.299   55.340  128.535   58.114  104.547  181.260   94.082   24.496   95.032   41.228 -0.9494095 47.95632 
1 1 1  -24   13    2 o  118.138   22.292  196.058   63.353  190.783   67.165  238.605  190.749  115.481   24.071  115.268   45.293 0.2137299 51.29229 
1 1 1  -24   13    3 o  257.881   19.101  892.787  122.129  778.324  139.710  1263.68  251.488  235.990   24.043  283.246   36.397 -47.25642 43.62151 
1 1 1  -24   13    4 o   63.064   22.698   49.179   45.622   31.829   46.988  334.635  190.595   57.368   22.500  133.540   46.546 -76.17114 51.69880 
1 1 1  -24   13    5 o  116.459   21.395  187.977   59.929  182.809   63.189  234.215  189.013  113.977   22.994  116.365   45.268 -2.388092 50.77335 
1 1 1  -24   13    6 o  205.916   18.742  566.619   95.319  524.507  106.227  740.669  215.958  195.583   22.140  210.289   42.585 -14.70583 47.99621 
1 1 1  -24   13    7 o   65.645   22.350   56.180   43.853   38.734   45.135  350.359  185.345   59.298   22.357  138.949   45.932 -79.65190 51.08443 
1 1 1  -24   13    8 o  112.583   20.993  174.676   56.849  158.833   59.518  339.506  191.978  106.256   23.091  136.348   46.760 -30.09190 52.15067 
1 1 1  -24   13    9 o  154.319   19.192  319.974   72.360  305.245   77.428  421.550  203.338  149.466   21.351  151.086   47.970 -1.620010 52.50680 
1 1 1  -24   13   10 o  132.219   20.003  237.177   63.983  219.486   67.542  391.893  199.738  125.929   22.294  146.102   47.653 -20.17298 52.60997 
1 1 1  -24   13   11 o  205.584   18.352  561.349   93.223  506.113  102.916  813.831  220.033  192.843   21.751  224.678   40.716 -31.83463 46.16224 
1 1 1  -24   13   12 o  116.623   20.170  185.520   56.614  156.171   59.166  503.882  194.865  105.474   23.103  170.476   45.083 -65.00150 50.65796 
1 1 1  -24   13   13 o   55.715   20.831   33.872   39.022   30.729   39.918  101.509  185.191   54.834   20.941   98.287   42.148 -43.45385 47.06377 
1 1 1  -24   13   14 o  113.672   20.591  177.043   56.297  167.959   58.792  277.334  195.345  109.910   22.185  125.477   46.669 -15.56695 51.67352 
1 1 1  -24   13   15 o  140.383   19.189  265.181   65.507  251.781   69.171  381.719  203.984  135.755   21.088  143.703   48.206 -7.947983 52.61708 
1 1 1  -24   13   16 o  112.826   20.208  174.037   54.845  154.069   57.094  412.574  197.333  105.003   22.454  150.651   47.182 -45.64747 52.25233 
1 1 1  -24   13   17 o  189.092   19.247  478.675   89.618  501.201   97.896  362.128  222.677  192.550   20.684  137.666   50.058 54.88414 54.16267 
1 1 1  -24   13   18 o   99.548   21.209  137.570   51.111  143.812   52.858   47.804  200.455  101.712   21.484   93.414   41.804 8.298126 47.00146 
1 1 1  -24   13   19 o  168.075   18.396  377.322   75.951  356.802   80.970  527.618  219.138  162.183   20.447  167.930   49.133 -5.746506 53.21789 
1 1 1  -24   13   20 f  116.993   19.566  186.506   55.143  172.311   57.377  358.249  199.579  111.488   21.387  138.157   47.660 -26.66942 52.23855 
1 1 1  -24   13   21 f  197.278   17.675  517.245   86.149  443.488   92.767  979.555  232.250  180.368   20.988  246.994   38.945 -66.62654 44.24044 
1 1 1  -24   13   22 o  104.186   20.664  150.550   51.862  165.233   53.580 -67.5157  206.484  109.416   20.359   82.572   38.871 26.84402 43.87963 
1 1 1  -24   13   23 o   68.583   21.392   64.625   40.613   69.419   41.412 -55.9404  207.675   70.763   21.521   83.246   39.124 -12.48308 44.65198 
1 1 1  -24   14    2 o   71.135   24.293   69.488   51.810   69.488   51.810   0.0000   0.0000   71.135   24.293  ?   ?  0.000000 24.29252 
1 1 1  -24   14    3 o  204.186   19.500  566.214   98.221  531.739  109.025  714.741  226.300  195.015   22.819  195.731   46.911 -0.7164001 52.16657 
1 1 1  -24   14    4 o  274.014   19.283  1012.92  131.108  873.470  151.683  1424.89  260.713  248.503   24.773  300.750   35.391 -52.24701 43.20019 
1 1 1  -24   14    5 o   75.671   23.786   80.558   50.102   86.711   52.008   1.2021  186.777   78.163   24.180   84.698   38.860 -6.534950 45.76865 
1 1 1  -24   14    6 o   58.746   22.267   38.104   44.921   35.057   46.270   88.064  187.374   58.106   22.455   94.471   41.432 -36.36489 47.12610 
1 1 1  -24   14    7 o  117.386   21.740  192.064   61.380  203.131   64.780   94.864  191.984  120.451   22.360   96.100   42.048 24.35104 47.62368 
1 1 1  -24   14    8 o  108.612   21.945  165.115   57.472  160.928   60.107  209.751  196.253  106.539   23.246  112.048   45.296 -5.508942 50.91313 
1 1 1  -24   14    9 o  100.922   22.468  143.552   55.169  150.131   57.471   66.342  196.882  103.043   22.926   93.906   41.768 9.136475 47.64659 
1 1 1  -24   14   10 o  234.393   18.618  733.285  108.077  642.083  120.706  1102.02  242.706  215.902   22.730  263.566   37.972 -47.66426 44.25464 
1 1 1  -24   14   11 o  159.717   19.017  343.184   74.357  312.276   79.259  570.090  214.752  150.692   21.687  176.510   47.622 -25.81764 52.32780 
1 1 1  -24   14   12 o  120.421   20.429  198.815   59.236  183.643   61.814  369.397  207.267  114.644   22.395  139.126   48.536 -24.48199 53.45384 
1 1 1  -24   14   13 o   57.683   21.334   38.005   40.709   37.560   41.662   47.402  191.449   57.800   21.541   91.628   40.940 -33.82890 46.26168 
1 1 1  -24   14   14 o   49.073   19.805   17.676   37.450   24.098   38.201 -140.8826  189.813   51.638   20.276   74.602   35.726 -22.96367 41.07883 
1 1 1  -24   14   15 o   79.747   22.594   89.377   47.046   92.173   48.321   38.514  206.114   80.884   22.892   92.660   41.849 -11.77633 47.70092 
1 1 1  -24   14   16 f  126.911   48.713  302.625  216.682   0.0000   0.0000  302.625  216.682  ?   ?   126.911   48.713 0.000000 48.71291 
1 1 1  -24   14   17 o   92.814   22.489  121.609   51.576  121.609   51.576   0.0000   0.0000   92.814   22.489  ?   ?  0.000000 22.48891 
1 1 1  -24   14   18 o  204.570   18.966  560.928   95.788  548.089  105.094  623.939  232.820  200.427   21.325  181.412   49.854 19.01457 54.22338 
1 1 1  -24   14   19 o  150.994   19.055  307.728   70.249  301.570   74.362  358.813  214.184  148.550   20.601  135.383   49.114 13.16669 53.25962 
1 1 1  -24   14   20 o   52.980   20.290   28.735   37.540   26.845   38.128   88.606  214.586   52.493   20.356   97.759   43.536 -45.26646 48.05988 
1 1 1  -24   14   21 o   96.968   21.060  131.605   49.536  129.813   50.914  163.367  214.385   95.987   21.745  105.687   45.336 -9.699654 50.28094 
1 1 1  -24   14   22 o   79.593   21.733   89.556   44.411   93.272   45.410   7.9117  212.853   81.149   21.901   88.946   41.054 -7.796577 46.53017 
1 1 1  -24   15    7 o  107.884   22.681  165.505   59.166  178.471   61.964   31.562  199.157  111.996   22.927   88.725   40.489 23.27116 46.52959 
1 1 1  -24   15    8 o  104.754   22.364  155.502   56.722  143.326   59.035  301.783  204.614   99.656   24.007  124.104   47.408 -24.44826 53.13970 
1 1 1  -24   15    9 o   80.972   23.265   93.558   49.534  100.267   51.098 -11.0208  201.751   83.651   23.494   85.707   39.703 -2.056091 46.13292 
1 1 1  -24   15   10 o   95.677   22.712  130.306   53.451  107.128   55.251  468.765  211.133   86.175   24.510  154.197   48.872 -68.02194 54.67374 
1 1 1  -24   15   11 o   79.088   23.010   88.674   48.183   83.709   49.552  174.795  206.380   77.009   23.566  106.611   45.059 -29.60187 50.84957 
1 1 1  -24   15   12 o   91.414   22.796  118.970   51.860  105.035   53.402  349.868  217.377   85.569   24.012  132.348   49.229 -46.77911 54.77312 
1 1 1  -24   15   13 o  119.036   20.443  195.281   58.578  174.787   60.834  456.393  217.142  111.328   22.653  151.410   49.700 -40.08183 54.61922 
1 1 1  -24   15   14 o  105.746   21.461  156.324   54.736  133.494   56.597  486.536  215.247   96.560   23.657  157.660   49.261 -61.10007 54.64690 
1 1 1  -24   15   15 o   98.680   43.512  104.143  209.189   0.0000   0.0000  104.143  209.189  ?   ?    98.680   43.512 0.000000 43.51202 
1 1 1  -24   15   16 o   50.916   20.356   21.356   39.161   21.356   39.161   0.0000   0.0000   50.916   20.356  ?   ?  0.000000 20.35644 
1 1 1  -24   15   17 f  115.818   20.784  185.759   57.901  183.097   59.926  223.165  224.637  114.447   21.764  113.438   47.421 1.008820 52.17651 
1 1 1  -24   15   18 o   65.167   21.781   56.611   41.642   51.955   42.504  167.828  207.723   63.380   21.987  105.641   44.952 -42.26055 50.04104 
1 1 1  -24   15   19 o  155.211   19.187  326.699   72.782  317.207   77.009  406.105  222.739  151.856   20.859  140.168   50.184 11.68828 54.34649 
1 1 1  -24   15   20 o   62.040   21.682   49.419   41.370   49.419   41.370   0.0000   0.0000   62.040   21.682  ?   ?  0.000000 21.68189 
1 1 1  -23  -30    1 o   87.373   32.216  171.639   92.691   0.0000   0.0000  171.639   92.691  ?   ?    87.373   32.216 0.000000 32.21586 
1 1 1  -23  -30    2 o   51.220   24.074 -10.5780   78.668   0.0000   0.0000 -10.5780   78.668  ?   ?    51.220   24.074 0.000000 24.07440 
1 1 1  -23  -29    1 o   73.912   30.153   98.538   87.894   0.0000   0.0000   98.538   87.894  ?   ?    73.912   30.153 0.000000 30.15299 
1 1 1  -23  -29    2 o   62.768   27.586   47.948   83.450   0.0000   0.0000   47.948   83.450  ?   ?    62.768   27.586 0.000000 27.58621 
1 1 1  -23  -29    3 o  143.438   33.516  419.886  117.888   0.0000   0.0000  419.886  117.888  ?   ?   143.438   33.516 0.000000 33.51575 
1 1 1  -23  -29    4 o   94.401   33.396  209.948   98.356   0.0000   0.0000  209.948   98.356  ?   ?    94.401   33.396 0.000000 33.39581 
1 1 1  -23  -28    1 o   48.929   18.225   29.869   29.814  237.075  198.869   25.105   30.155   92.977   41.621   46.976   18.135 46.00126 45.40058 
1 1 1  -23  -28    2 o   78.775   31.138  113.775   90.651   0.0000   0.0000  113.775   90.651  ?   ?    78.775   31.138 0.000000 31.13787 
1 1 1  -23  -28    3 o   70.903   29.712   81.950   88.500   0.0000   0.0000   81.950   88.500  ?   ?    70.903   29.712 0.000000 29.71189 
1 1 1  -23  -28    4 o   71.125   29.744   88.081   88.425   0.0000   0.0000   88.081   88.425  ?   ?    71.125   29.744 0.000000 29.74401 
1 1 1  -23  -28    5 o   94.001   33.613  200.409   99.897   0.0000   0.0000  200.409   99.897  ?   ?    94.001   33.613 0.000000 33.61328 
1 1 1  -23  -27    1 o  111.202   16.501  172.063   44.433  185.300  195.989  171.346   45.621   92.071   41.260  110.585   17.070 -18.51420 44.65145 
1 1 1  -23  -27    2 o  103.285   17.126  150.633   42.623  158.199  199.330  150.270   43.633   87.772   40.224  102.816   17.629 -15.04362 43.91739 
1 1 1  -23  -27    3 f   63.313   27.994   31.848   87.178   0.0000   0.0000   31.848   87.178  ?   ?    63.313   27.994 0.000000 27.99440 
1 1 1  -23  -27    4 o  168.300   32.195  511.906  130.377   0.0000   0.0000  511.906  130.377  ?   ?   168.300   32.195 0.000000 32.19471 
1 1 1  -23  -27    5 o   70.091   29.551   76.474   88.415   0.0000   0.0000   76.474   88.415  ?   ?    70.091   29.551 0.000000 29.55120 
1 1 1  -23  -27    6 o   80.567   31.489  130.697   91.792   0.0000   0.0000  130.697   91.792  ?   ?    80.567   31.489 0.000000 31.48944 
1 1 1  -23  -26    1 o   94.090   17.642  124.342   39.928  159.127  181.238  122.568   40.934   92.589   40.674   93.041   18.270 -0.4519272 44.58915 
1 1 1  -23  -26    2 o   84.596   18.773  102.884   38.623 -63.5735  181.340  110.794   39.530   71.124   34.281   87.981   18.575 -16.85699 38.99010 
1 1 1  -23  -26    3 o   92.767   18.111  122.725   40.449  176.782  189.513  120.145   41.403   91.961   40.937   91.352   18.777 0.6092606 45.03751 
1 1 1  -23  -26    4 o   88.018   32.716  142.089   95.967   0.0000   0.0000  142.089   95.967  ?   ?    88.018   32.716 0.000000 32.71557 
1 1 1  -23  -26    5 o   64.866   28.226   41.389   85.471   0.0000   0.0000   41.389   85.471  ?   ?    64.866   28.226 0.000000 28.22630 
1 1 1  -23  -26    6 o  101.498   33.892  207.115  100.823   0.0000   0.0000  207.115  100.823  ?   ?   101.498   33.892 0.000000 33.89180 
1 1 1  -23  -26    7 o  149.770   32.711  419.993  118.915   0.0000   0.0000  419.993  118.915  ?   ?   149.770   32.711 0.000000 32.71120 
1 1 1  -23  -25    1 o  132.063   16.115  236.434   52.044  179.356  181.411  241.553   54.327   98.036   41.869  133.118   16.711 -35.08280 45.08095 
1 1 1  -23  -25    2 o   55.094   18.851   40.346   31.200 -67.8901  166.600   44.280   31.762   70.223   33.587   57.077   19.021 13.14552 38.59913 
1 1 1  -23  -25    3 o   68.215   19.509   67.034   34.905  210.598  179.692   61.404   35.583   99.902   42.125   65.421   19.960 34.48033 46.61427 
1 1 1  -23  -25    4 o   99.639   17.814  139.698   42.696   69.585  162.707  144.883   44.247   80.819   36.771  101.295   18.159 -20.47533 41.01021 
1 1 1  -23  -25    5 f   91.343   33.107  150.856   97.289   0.0000   0.0000  150.856   97.289  ?   ?    91.343   33.107 0.000000 33.10689 
1 1 1  -23  -25    6 o   70.744   29.721   65.242   88.918   0.0000   0.0000   65.242   88.918  ?   ?    70.744   29.721 0.000000 29.72054 
1 1 1  -23  -25    7 o  126.006   33.193  293.832  105.899   0.0000   0.0000  293.832  105.899  ?   ?   126.006   33.193 0.000000 33.19270 
1 1 1  -23  -25    8 o  191.074   30.379  633.376  140.098   0.0000   0.0000  633.376  140.098  ?   ?   191.074   30.379 0.000000 30.37851 
1 1 1  -23  -24    1 o  112.969   18.547  176.419   50.505  283.086  169.555  166.034   52.907  118.580   43.595  108.545   20.264 10.03484 48.07417 
1 1 1  -23  -24    2 o  132.761   15.691  236.944   51.014  260.295  175.570  234.791   53.314  112.453   43.661  131.614   16.590 -19.16159 46.70691 
1 1 1  -23  -24    3 o  116.499   16.526  185.013   46.729   74.081  171.657  193.892   48.563   85.169   38.354  119.147   16.787 -33.97749 41.86659 
1 1 1  -23  -24    4 o   96.499   18.689  131.281   43.410   22.796  158.056  140.132   45.146   77.300   35.570   99.696   18.824 -22.39614 40.24332 
1 1 1  -23  -24    5 o   61.969   18.375   54.254   30.474  261.233  164.026   46.854   31.014  109.632   42.303   58.176   18.762 51.45648 46.27729 
1 1 1  -23  -24    6 o  111.497   33.132  220.659   98.998   0.0000   0.0000  220.659   98.998  ?   ?   111.497   33.132 0.000000 33.13241 
1 1 1  -23  -24    7 o  130.928   33.120  303.326  108.366   0.0000   0.0000  303.326  108.366  ?   ?   130.928   33.120 0.000000 33.12029 
1 1 1  -23  -24    8 f   60.827   27.083   16.996   82.995   0.0000   0.0000   16.996   82.995  ?   ?    60.827   27.083 0.000000 27.08295 
1 1 1  -23  -24    9 o  117.827   33.281  260.438  102.237   0.0000   0.0000  260.438  102.237  ?   ?   117.827   33.281 0.000000 33.28079 
1 1 1  -23  -23    1 o   54.541   18.990   37.440   31.721   26.881  155.458   37.899   32.403   81.186   36.535   54.918   19.189 26.26788 41.26798 
1 1 1  -23  -23    2 o   84.651   20.284  101.463   42.317   71.861  158.459  103.737   43.912   86.401   37.992   85.397   20.787 1.003998 43.30740 
1 1 1  -23  -23    3 f   53.757   18.505   37.077   30.080  251.032  161.696   29.408   30.614  113.962   42.445   50.330   18.521 63.63152 46.30987 
1 1 1  -23  -23    4 o  135.978   15.141  247.037   50.540  209.466  161.141  251.136   53.226  105.149   41.530  136.669   15.892 -31.52087 44.46697 
1 1 1  -23  -23    5 o   37.169   15.611   5.2548   24.520   31.289  148.168   4.5217   24.863   77.754   35.265   37.109   15.659 40.64457 38.58558 
1 1 1  -23  -23    6 o   61.221   18.448   52.491   30.534   74.889  160.589   51.651   31.102   83.525   37.395   60.796   18.681 22.72894 41.80150 
1 1 1  -23  -23    7 o   57.712   26.107  -6.6307   80.596   0.0000   0.0000  -6.6307   80.596  ?   ?    57.712   26.107 0.000000 26.10748 
1 1 1  -23  -23    8 o  126.295   32.768  276.969  104.233   0.0000   0.0000  276.969  104.233  ?   ?   126.295   32.768 0.000000 32.76827 
1 1 1  -23  -23    9 o  102.323   33.384  191.909   98.031   0.0000   0.0000  191.909   98.031  ?   ?   102.323   33.384 0.000000 33.38449 
1 1 1  -23  -23   10 o  108.716   34.213  225.081  103.620   0.0000   0.0000  225.081  103.620  ?   ?   108.716   34.213 0.000000 34.21277 
1 1 1  -23  -22    1 o  205.871   14.458  552.950   73.858  551.235  186.194  553.271   80.459  179.117   42.303  205.060   15.835 -25.94333 45.16911 
1 1 1  -23  -22    2 o   92.073   17.978  116.035   39.853  250.456  158.605  106.976   41.174  118.353   42.350   87.793   19.306 30.56008 46.54329 
1 1 1  -23  -22    3 o  109.663   18.678  164.928   49.316  228.090  162.264  158.500   51.765  112.530   42.399  106.701   20.166 5.828766 46.95105 
1 1 1  -23  -22    4 o   32.540   14.350  -4.7780   22.761   19.121  137.424  -5.4521   23.080   76.741   34.459   32.557   14.399 44.18399 37.34632 
1 1 1  -23  -22    5 o  122.024   14.943  198.401   44.583  264.915  155.281  192.425   46.543  117.723   41.928  119.625   15.980 -1.901833 44.86967 
1 1 1  -23  -22    6 o  180.331   13.852  428.238   61.903  548.077  173.250  410.700   66.278  173.911   40.627  175.615   15.265 -1.704468 43.39974 
1 1 1  -23  -22    7 o   94.390   16.782  122.538   38.108  186.859  153.469  118.312   39.340  100.414   40.244   92.245   17.722 8.169334 43.97349 
1 1 1  -23  -22    8 f   81.839   31.024  102.490   87.208   0.0000   0.0000  102.490   87.208  ?   ?    81.839   31.024 0.000000 31.02422 
1 1 1  -23  -22    9 o  172.988   30.261  481.771  125.961   0.0000   0.0000  481.771  125.961  ?   ?   172.988   30.261 0.000000 30.26088 
1 1 1  -23  -22   10 o   62.272   27.808   12.231   88.188   0.0000   0.0000   12.231   88.188  ?   ?    62.272   27.808 0.000000 27.80768 
1 1 1  -23  -22   11 o  144.331   33.101  366.057  116.763   0.0000   0.0000  366.057  116.763  ?   ?   144.331   33.101 0.000000 33.10123 
1 1 1  -23  -21    1 o  165.791   14.426  357.594   59.131  561.692  166.929  328.309   63.231  190.358   36.444  157.954   16.263 32.40421 39.90795 
1 1 1  -23  -21    2 o  215.797   13.913  603.727   74.575  617.311  184.788  601.085   81.508  195.707   39.178  214.490   15.318 -18.78371 42.06595 
1 1 1  -23  -21    3 o   52.511   18.754   32.798   31.090 -10.2988  136.888   35.142   31.924   74.878   33.935   53.831   19.028 21.04698 38.90556 
1 1 1  -23  -21    4 o   82.560   19.242   94.665   38.937   58.331  137.221   97.847   40.606   83.522   36.053   83.782   19.734 -0.2600250 41.10064 
1 1 1  -23  -21    5 o   35.305   15.130   0.7516   23.838  149.889  140.131  -3.6926   24.190   98.231   38.750   34.009   14.902 64.22185 41.51699 
1 1 1  -23  -21    6 o   70.387   18.790   69.189   33.645  -0.6444  145.224   73.150   34.586   75.877   34.606   72.309   18.931 3.567627 39.44553 
1 1 1  -23  -21    7 o   92.385   17.239  117.187   38.307   89.030  155.310  119.011   39.528   87.682   38.102   92.912   17.683 -5.229996 42.00478 
1 1 1  -23  -21    8 o   99.789   16.257  135.486   39.117  196.083  157.800  131.518   40.377  103.092   40.977   97.852   17.149 5.240753 44.42071 
1 1 1  -23  -21    9 o  184.861   29.817  534.560  132.962   0.0000   0.0000  534.560  132.962  ?   ?   184.861   29.817 0.000000 29.81722 
1 1 1  -23  -21   10 o  116.366   33.752  234.959  103.815   0.0000   0.0000  234.959  103.815  ?   ?   116.366   33.752 0.000000 33.75246 
1 1 1  -23  -21   11 o   67.383   28.984   39.273   88.057   0.0000   0.0000   39.273   88.057  ?   ?    67.383   28.984 0.000000 28.98431 
1 1 1  -23  -21   12 o   82.385   31.989  110.970   94.253   0.0000   0.0000  110.970   94.253  ?   ?    82.385   31.989 0.000000 31.98944 
1 1 1  -23  -20    1 o  104.067   17.284  144.380   43.341  127.250  143.520  146.099   45.463   99.331   39.206  104.397   18.095 -5.066200 43.18018 
1 1 1  -23  -20    2 o  232.768   14.560  701.209   84.208  598.252  190.174  726.318   93.916  193.608   40.630  236.042   16.028 -42.43399 43.67733 
1 1 1  -23  -20    3 o  182.256   14.168  430.777   63.976  635.710  164.381  394.195   69.452  206.635   32.964  173.294   16.238 33.34149 36.74669 
1 1 1  -23  -20    4 o  243.055   14.794  768.481   89.364  669.165  191.574  796.102  101.030  204.543   38.928  246.184   16.530 -41.64061 42.29219 
1 1 1  -23  -20    5 o  139.650   17.041  259.892   58.196  318.321  149.087  249.389   63.211  136.381   40.690  135.652   19.196 0.7289734 44.99042 
1 1 1  -23  -20    6 o  119.891   15.120  190.219   44.262  203.914  147.977  188.873   46.385  109.829   40.664  119.066   16.006 -9.237274 43.70069 
1 1 1  -23  -20    7 o   74.891   18.187   77.736   33.673   46.079  140.711   79.659   34.681   81.587   35.840   75.726   18.498 5.860748 40.33261 
1 1 1  -23  -20    8 o  148.844   13.886  291.024   51.018  294.402  157.769  290.630   53.914  124.966   42.393  148.275   14.757 -23.30978 44.88765 
1 1 1  -23  -20    9 o  160.403   24.700  373.857   95.764  422.019  174.608  353.138  114.525  147.024   44.073  149.219   31.712 -2.195145 54.29634 
1 1 1  -23  -20   10 o  253.666   29.264  987.236  181.970   0.0000   0.0000  987.236  181.970  ?   ?   253.666   29.264 0.000000 29.26355 
1 1 1  -23  -20   11 o  147.871   31.866  355.898  114.200   0.0000   0.0000  355.898  114.200  ?   ?   147.871   31.866 0.000000 31.86627 
1 1 1  -23  -20   12 o  103.599   33.711  187.935   99.985   0.0000   0.0000  187.935   99.985  ?   ?   103.599   33.711 0.000000 33.71149 
1 1 1  -23  -20   13 o   82.570   32.407  108.576   97.539   0.0000   0.0000  108.576   97.539  ?   ?    82.570   32.407 0.000000 32.40657 
1 1 1  -23  -19    1 o  224.984   14.736  652.263   82.336  508.996  182.008  689.125   92.322  180.525   41.273  230.576   16.136 -50.05058 44.31503 
1 1 1  -23  -19    2 o  199.086   14.375  511.207   70.985  456.535  170.200  522.719   78.102  170.472   40.568  200.712   15.708 -30.23982 43.50309 
1 1 1  -23  -19    3 o  293.023   13.966  1102.24  102.193  1062.90  210.851  1114.32  116.833  271.731   31.667  292.970   16.030 -21.23859 35.49332 
1 1 1  -23  -19    4 o  342.075   15.670  1516.15  133.856  1447.88  259.991  1540.77  156.141  313.323   33.762  342.139   18.342 -28.81653 38.42276 
1 1 1  -23  -19    5 o  201.283   16.897  532.724   84.147  637.005  172.524  500.173   96.390  204.928   34.968  192.868   20.319 12.06012 40.44263 
1 1 1  -23  -19    6 o  118.221   16.990  186.473   48.717   82.875  145.196  199.615   51.715   89.971   37.898  122.181   17.445 -32.21007 41.72003 
1 1 1  -23  -19    7 o  150.462   14.873  296.971   55.151  262.503  150.930  302.282   59.248  123.149   41.465  151.293   15.921 -28.14420 44.41668 
1 1 1  -23  -19    8 o  159.489   14.022  332.514   55.280  395.386  159.326  323.910   58.942  150.556   41.186  156.764   15.250 -6.207657 43.91885 
1 1 1  -23  -19    9 o  144.161   14.329  273.388   50.900  410.170  159.783  257.941   53.697  152.114   41.093  139.288   15.712 12.82614 43.99483 
1 1 1  -23  -19   10 o  272.327   21.382  1029.14  144.239  1126.52  228.411  964.545  186.023  263.412   35.639  251.712   30.197 11.70042 46.71213 
1 1 1  -23  -19   11 o  151.438   31.925  365.567  116.926   0.0000   0.0000  365.567  116.926  ?   ?   151.438   31.925 0.000000 31.92501 
1 1 1  -23  -19   12 o   81.848   31.738   97.375   92.683   0.0000   0.0000   97.375   92.683  ?   ?    81.848   31.738 0.000000 31.73841 
1 1 1  -23  -19   13 o  136.112   35.242  322.436  120.730   0.0000   0.0000  322.436  120.730  ?   ?   136.112   35.242 0.000000 35.24225 
1 1 1  -23  -19   14 o   67.254   29.152   34.841   90.470   0.0000   0.0000   34.841   90.470  ?   ?    67.254   29.152 0.000000 29.15226 
1 1 1  -23  -18    1 o   85.015   33.027   78.293  100.504   0.0000   0.0000   78.293  100.504  ?   ?    85.015   33.027 0.000000 33.02689 
1 1 1  -23  -18    2 o  103.129   17.480  141.031   43.409   54.649  134.647  151.051   45.858   87.148   36.590  106.690   17.842 -19.54206 40.70885 
1 1 1  -23  -18    3 o   82.186   18.308   91.097   36.612  216.154  132.947   80.835   38.085  119.404   38.874   77.136   19.701 42.26727 43.58141 
1 1 1  -23  -18    4 o  111.631   16.331  164.169   44.179   63.462  139.378  175.417   46.581   88.601   37.216  115.341   16.655 -26.74062 40.77228 
1 1 1  -23  -18    5 o   86.102   17.681   99.877   36.744  234.283  137.584   89.554   38.129  122.078   39.533   81.060   19.142 41.01742 43.92336 
1 1 1  -23  -18    6 f   97.820   18.559  129.354   43.676  225.322  140.036  119.013   45.969  118.930   39.941   93.106   20.340 25.82374 44.82220 
1 1 1  -23  -18    7 o  312.141   14.783  1260.67  115.226  1409.12  233.735  1213.02  132.437  312.062   30.379  303.597   17.543 8.464325 35.08075 
1 1 1  -23  -18    8 o  188.461   13.420  459.849   62.743  682.503  166.604  423.052   67.729  213.672   32.226  179.810   15.227 33.86191 35.64202 
1 1 1  -23  -18    9 o  193.026   13.692  484.203   65.570  566.056  168.725  469.642   71.163  187.771   37.298  189.241   15.187 -1.470612 40.27146 
1 1 1  -23  -18   10 o  202.358   14.042  534.486   70.521  650.155  177.521  512.812   76.844  200.677   36.780  197.105   15.743 3.571518 40.00761 
1 1 1  -23  -18   11 o   98.263   33.741  154.144   99.973   0.0000   0.0000  154.144   99.973  ?   ?    98.263   33.741 0.000000 33.74109 
1 1 1  -23  -18   12 o  118.064   34.448  232.867  107.853   0.0000   0.0000  232.867  107.853  ?   ?   118.064   34.448 0.000000 34.44799 
1 1 1  -23  -18   13 o   61.769   27.842  -6.4924   90.703   0.0000   0.0000  -6.4924   90.703  ?   ?    61.769   27.842 0.000000 27.84178 
1 1 1  -23  -18   14 o   72.341   30.535   52.751   94.575   0.0000   0.0000   52.751   94.575  ?   ?    72.341   30.535 0.000000 30.53479 
1 1 1  -23  -18   15 f   60.156   27.287  -7.7079   88.736   0.0000   0.0000  -7.7079   88.736  ?   ?    60.156   27.287 0.000000 27.28660 
1 1 1  -23  -17    1 o  140.217   33.925  283.603  117.499   0.0000   0.0000  283.603  117.499  ?   ?   140.217   33.925 0.000000 33.92493 
1 1 1  -23  -17    2 o  152.806   16.654  303.388   62.519   0.0000   0.0000  303.388   62.519  ?   ?   152.806   16.654 0.000000 16.65372 
1 1 1  -23  -17    3 o   72.064   18.995   69.888   34.667  180.436  131.214   61.592   35.944  112.121   38.646   67.992   19.901 44.12897 43.46914 
1 1 1  -23  -17    4 o   78.423   19.283   83.223   37.500 -48.3394  134.087   94.386   39.058   72.723   33.200   83.583   19.127 -10.85968 38.31577 
1 1 1  -23  -17    5 o  156.956   14.794  318.685   57.301  167.256  147.971  345.398   62.150  109.005   40.603  163.211   15.432 -54.20601 43.43642 
1 1 1  -23  -17    6 o  112.588   15.922  166.574   43.517  383.767  144.279  144.838   45.643  158.687   37.077  104.054   18.230 54.63320 41.31660 
1 1 1  -23  -17    7 o  125.215   18.021  208.553   54.724  106.851  141.219  226.524   59.363   95.464   38.483  130.253   18.794 -34.78950 42.82709 
1 1 1  -23  -17    8 o  209.941   13.697  568.759   71.415  755.647  175.269  531.554   78.201  227.498   31.714  201.946   15.629 25.55193 35.35575 
1 1 1  -23  -17    9 o  185.265   14.299  445.835   65.640  630.438  171.947  414.344   71.018  203.004   35.194  177.603   16.191 25.40163 38.73989 
1 1 1  -23  -17   10 o  175.871   14.512  403.585   63.164  405.642  167.793  403.245   68.180  153.160   42.417  175.130   15.759 -21.96960 45.25000 
1 1 1  -23  -17   11 o  212.067   15.134  589.713   79.621   0.0000   0.0000  589.713   79.621  ?   ?   212.067   15.134 0.000000 15.13447 
1 1 1  -23  -17   13 o  202.192   30.184  622.562  147.736   0.0000   0.0000  622.562  147.736  ?   ?   202.192   30.184 0.000000 30.18410 
1 1 1  -23  -17   14 o  163.607   32.104  424.792  126.479   0.0000   0.0000  424.792  126.479  ?   ?   163.607   32.104 0.000000 32.10420 
1 1 1  -23  -17   15 o  105.763   34.695  192.248  105.824   0.0000   0.0000  192.248  105.824  ?   ?   105.763   34.695 0.000000 34.69482 
1 1 1  -23  -16    1 o  123.481   16.538  198.333   49.713  216.230  142.873  195.867   53.027  122.559   40.319  122.291   17.893 0.2683334 44.11081 
1 1 1  -23  -16    2 o  312.359   29.048  1325.23  223.987   0.0000   0.0000  1325.23  223.987  ?   ?   312.359   29.048 0.000000 29.04848 
1 1 1  -23  -16    3 o   74.461   19.098   74.438   35.684  166.982  127.692   66.598   37.165  109.738   38.107   70.644   20.105 39.09374 43.08535 
1 1 1  -23  -16    4 o  173.474   14.801  387.082   63.505  344.432  150.758  396.282   70.021  151.207   39.495  175.039   16.203 -23.83141 42.68926 
1 1 1  -23  -16    5 o  142.208   14.678  261.170   51.376  285.765  142.740  257.509   55.066  137.125   39.521  140.783   15.944 -3.658554 42.61609 
1 1 1  -23  -16    6 o  155.340   15.004  312.075   57.477  264.993  148.883  320.321   62.307  130.925   40.979  156.984   16.123 -26.05931 44.03656 
1 1 1  -23  -16    7 o  112.377   15.677  165.478   42.795  314.407  141.400  150.461   44.901  142.731   38.699  106.460   17.498 36.27092 42.47073 
1 1 1  -23  -16    8 o   81.830   19.299   91.186   38.797  175.753  135.626   83.649   40.489  109.113   39.150   78.172   20.492 30.94077 44.18849 
1 1 1  -23  -16    9 o   69.433   19.004   65.546   33.910   70.284  137.508   65.240   34.991   88.402   37.040   69.280   19.436 19.12222 41.82934 
1 1 1  -23  -16   10 o   79.940   19.328   87.768   38.158   0.0000   0.0000   87.768   38.158  ?   ?    79.940   19.328 0.000000 19.32783 
1 1 1  -23  -16   11 o  179.300   40.792  530.742  178.527  530.742  178.527   0.0000   0.0000  179.300   40.792  ?   ?  0.000000 40.79171 
1 1 1  -23  -16   12 o   58.145   18.990   44.354   31.715 -101.1488  142.205   51.970   32.534   66.612   31.625   62.042   19.113 4.569736 36.95175 
1 1 1  -23  -16   13 o  114.325   35.124  213.122  109.953   0.0000   0.0000  213.122  109.953  ?   ?   114.325   35.124 0.000000 35.12366 
1 1 1  -23  -16   14 o   72.743   30.752   44.440   96.160   0.0000   0.0000   44.440   96.160  ?   ?    72.743   30.752 0.000000 30.75173 
1 1 1  -23  -16   15 o   58.462   27.023 -36.8446   92.731   0.0000   0.0000 -36.8446   92.731  ?   ?    58.462   27.023 0.000000 27.02345 
1 1 1  -23  -16   16 o   64.380   28.764   3.7323   94.487   0.0000   0.0000   3.7323   94.487  ?   ?    64.380   28.764 0.000000 28.76380 
1 1 1  -23  -15    1 o   57.736   19.756   39.900   34.267 -33.1012  119.989   46.383   35.757   71.988   32.270   61.097   20.174 10.89101 38.05695 
1 1 1  -23  -15    2 o  194.547   21.661  497.054  103.445  456.387  156.505  528.604  137.850  178.813   36.289  197.137   28.856 -18.32393 46.36380 
1 1 1  -23  -15    3 o  175.986   30.808  429.070  130.459   0.0000   0.0000  429.070  130.459  ?   ?   175.986   30.808 0.000000 30.80793 
1 1 1  -23  -15    4 o  105.875   16.365  146.623   41.873  183.165  130.501  142.430   44.211  114.099   38.556  103.947   17.664 10.15287 42.40994 
1 1 1  -23  -15    5 o  312.378   14.190  1243.22  110.688  1321.06  221.993  1217.46  127.693  311.396   28.877  307.539   16.690 3.857513 33.35270 
1 1 1  -23  -15    6 o  165.360   14.021  350.967   57.354  544.222  151.399  318.586   61.973  196.538   31.945  156.825   16.051 39.71274 35.75068 
1 1 1  -23  -15    7 o  139.566   14.653  251.728   50.308  323.439  140.961  241.261   53.854  146.433   38.162  136.109   16.160 10.32443 41.44254 
1 1 1  -23  -15    8 o   66.993   18.886   60.189   32.956  140.718  131.518   54.794   34.042  102.496   38.259   64.354   19.499 38.14236 42.94122 
1 1 1  -23  -15    9 o  186.248   17.229  453.600   79.222  451.040  167.020  454.344   89.990  170.232   39.972  185.104   19.774 -14.87254 44.59605 
1 1 1  -23  -15   10 o  123.970   29.443  223.018   89.792  201.917  148.663  235.137  112.664  114.528   40.999  124.362   34.870 -9.834084 53.82275 
1 1 1  -23  -15   11 o   88.441   18.468  106.253   39.472 -44.6282  139.927  119.297   41.143   73.043   33.558   93.936   18.196 -20.89277 38.17374 
1 1 1  -23  -15   12 o  179.768   14.605  420.680   64.998  329.544  166.161  437.144   70.626  138.019   43.307  182.740   15.627 -44.72139 46.03975 
1 1 1  -23  -15   13 o  167.414   14.004  364.954   58.009  572.072  172.195  338.439   61.610  188.890   37.825  160.401   15.578 28.48878 40.90705 
1 1 1  -23  -15   14 o   93.676   33.816  131.964  101.355   0.0000   0.0000  131.964  101.355  ?   ?    93.676   33.816 0.000000 33.81616 
1 1 1  -23  -15   15 o  125.783   35.227  260.495  115.054   0.0000   0.0000  260.495  115.054  ?   ?   125.783   35.227 0.000000 35.22738 
1 1 1  -23  -15   16 o   59.870   27.556 -32.4382   94.948   0.0000   0.0000 -32.4382   94.948  ?   ?    59.870   27.556 0.000000 27.55637 
1 1 1  -23  -15   17 o  184.432   31.974  536.970  141.922   0.0000   0.0000  536.970  141.922  ?   ?   184.432   31.974 0.000000 31.97385 
1 1 1  -23  -14    1 o  115.667   16.607  173.801   46.593   94.590  124.262  186.760   50.260   95.087   36.784  119.791   17.303 -24.70313 40.65042 
1 1 1  -23  -14    2 o  307.623   14.377  1200.92  110.442  1238.69  212.426  1186.94  129.289  304.420   28.266  304.376   17.079 0.4449463E-01 33.02539 
1 1 1  -23  -14    3 o  186.009   29.008  470.481  130.346   0.0000   0.0000  470.481  130.346  ?   ?   186.009   29.008 0.000000 29.00805 
1 1 1  -23  -14    4 o  103.621   17.407  141.022   43.446   99.551  146.937  144.995   45.479   99.393   39.530  104.938   18.003 -5.545067 43.43696 
1 1 1  -23  -14    5 o  167.310   15.037  359.425   62.153  262.290  146.740  380.661   68.612  133.373   40.499  171.854   16.178 -38.48154 43.61060 
1 1 1  -23  -14    6 o  357.725   14.390  1629.91  128.550  2150.91  254.105  1450.71  149.027  401.953   25.447  335.276   17.864 66.67682 31.09124 
1 1 1  -23  -14    7 o  230.405   13.740  678.031   78.697  905.233  177.622  622.537   87.783  257.830   28.040  219.819   16.104 38.01082 32.33501 
1 1 1  -23  -14    8 o  128.131   16.035  213.790   50.184  102.185  144.085  229.197   53.536   97.580   39.035  132.566   16.531 -34.98595 42.39094 
1 1 1  -23  -14    9 o  161.841   17.215  341.958   68.506  361.359  161.968  337.731   75.601  152.242   41.476  159.943   19.320 -7.701385 45.75518 
1 1 1  -23  -14   10 o  198.670   14.803  509.291   72.912  697.957  172.106  468.023   80.492  220.776   32.162  189.333   17.213 31.44368 36.47835 
1 1 1  -23  -14   11 o   68.085   19.005   62.662   33.546  141.430  135.237   57.498   34.628  101.768   38.621   65.552   19.622 36.21568 43.31956 
1 1 1  -23  -14   12 o  178.899   14.325  414.506   63.460  522.761  165.101  395.740   68.741  184.272   37.162  174.011   15.998 10.26056 40.45895 
1 1 1  -23  -14   13 o   94.196   17.747  119.849   40.213  -1.7719  144.227  130.100   41.873   78.598   35.296   98.247   17.719 -19.64922 39.49423 
1 1 1  -23  -14   14 f   81.004   18.292   89.954   36.126  135.579  147.175   87.028   37.266   98.533   39.439   79.441   19.035 19.09248 43.79181 
1 1 1  -23  -14   15 o  221.355   29.995  725.803  161.533   0.0000   0.0000  725.803  161.533  ?   ?   221.355   29.995 0.000000 29.99536 
1 1 1  -23  -14   16 o   76.555   32.043   55.523  102.746   0.0000   0.0000   55.523  102.746  ?   ?    76.555   32.043 0.000000 32.04258 
1 1 1  -23  -14   17 o  133.457   35.875  297.716  122.137   0.0000   0.0000  297.716  122.137  ?   ?   133.457   35.875 0.000000 35.87504 
1 1 1  -23  -14   18 o  239.385   30.856  884.952  180.161   0.0000   0.0000  884.952  180.161  ?   ?   239.385   30.856 0.000000 30.85617 
1 1 1  -23  -13    1 o  299.296   13.949  1133.95  104.251  1255.52  201.906  1089.76  121.734  308.547   26.461  292.073   16.761 16.47375 31.32220 
1 1 1  -23  -13    2 o  166.867   14.424  355.468   59.512  315.307  138.468  364.567   65.910  148.759   37.334  168.630   15.837 -19.87067 40.55395 
1 1 1  -23  -13    3 f  102.359   17.936  137.644   44.175   89.851  127.071  144.214   47.113   94.696   37.039  104.624   18.720 -9.927696 41.50116 
1 1 1  -23  -13    4 o  296.537   28.557  1177.41  208.850   0.0000   0.0000  1177.41  208.850  ?   ?   296.537   28.557 0.000000 28.55672 
1 1 1  -23  -13    5 o  462.582   18.723  2749.91  216.278  2774.87  390.760  2738.89  259.680  447.843   35.225  458.623   22.674 -10.77957 41.89189 
1 1 1  -23  -13    6 o  277.786   14.043  982.601   97.100  1362.05  202.410  869.177  110.664  320.372   25.512  259.972   17.143 60.40048 30.73622 
1 1 1  -23  -13    7 o  274.410   14.025  959.882   95.787  1177.20  199.369  894.664  109.219  295.907   27.288  263.785   16.666 32.12216 31.97496 
1 1 1  -23  -13    8 o  164.107   15.654  347.381   63.374   0.0000   0.0000  347.381   63.374  ?   ?   164.107   15.654 0.000000 15.65416 
1 1 1  -23  -13    9 o  115.598   40.155  191.938  141.788  191.938  141.788   0.0000   0.0000  115.598   40.155  ?   ?  0.000000 40.15454 
1 1 1  -23  -13   10 o  158.764   17.786  329.826   69.305  177.519  149.637  371.420   78.198  112.171   40.997  168.076   18.963 -55.90487 45.17009 
1 1 1  -23  -13   11 o  151.582   15.197  297.880   56.751  340.091  151.581  290.999   61.202  147.939   40.050  149.238   16.709 -1.299362 43.39540 
1 1 1  -23  -13   12 o  113.614   15.825  169.516   43.679  303.640  148.828  156.875   45.691  138.355   40.494  108.666   17.427 29.68839 44.08467 
1 1 1  -23  -13   13 o  114.313   16.877  173.225   46.728   66.727  148.489  184.930   49.229   89.774   38.097  118.052   17.205 -28.27753 41.80196 
1 1 1  -23  -13   14 o  114.960   16.141  174.899   45.060  212.349  153.823  171.384   47.127  114.915   41.632  113.366   17.186 1.548653 45.04007 
1 1 1  -23  -13   15 o   68.472   29.922   10.949   96.947   0.0000   0.0000   10.949   96.947  ?   ?    68.472   29.922 0.000000 29.92191 
1 1 1  -23  -13   16 o   88.787   33.977  108.603  105.216   0.0000   0.0000  108.603  105.216  ?   ?    88.787   33.977 0.000000 33.97676 
1 1 1  -23  -13   17 o  117.075   35.936  226.077  115.129   0.0000   0.0000  226.077  115.129  ?   ?   117.075   35.936 0.000000 35.93618 
1 1 1  -23  -13   18 o  189.232   32.760  559.247  149.201   0.0000   0.0000  559.247  149.201  ?   ?   189.232   32.760 0.000000 32.76002 
1 1 1  -23  -13   19 o  244.512   31.762  929.986  189.353   0.0000   0.0000  929.986  189.353  ?   ?   244.512   31.762 0.000000 31.76154 
1 1 1  -23  -12    1 o  102.270   12.804  134.011   31.982  147.704   42.968  117.000   47.891  106.570   16.694   93.674   20.993 12.89606 26.82151 
1 1 1  -23  -12    2 o  124.046   14.924  197.725   45.302  406.222  128.049  167.895   48.435  172.702   30.822  113.496   17.664 59.20548 35.52473 
1 1 1  -23  -12    3 o  312.797   15.307  1241.92  119.568  1251.18  226.693  1238.34  140.736  305.722   30.083  310.802   18.213 -5.079865 35.16650 
1 1 1  -23  -12    4 o  216.034   27.630  623.468  145.642   0.0000   0.0000  623.468  145.642  ?   ?   216.034   27.630 0.000000 27.62979 
1 1 1  -23  -12    5 o  142.271   16.784  261.507   58.482   0.0000   0.0000  261.507   58.482  ?   ?   142.271   16.784 0.000000 16.78406 
1 1 1  -23  -12    6 o  157.121   14.860  316.372   57.613  360.516  143.776  307.927   62.883  158.667   36.972  154.515   16.555 4.151260 40.50926 
1 1 1  -23  -12    7 o  220.737   13.718  620.435   75.242  718.468  169.722  596.454   83.942  229.485   30.362  215.768   15.686 13.71748 34.17482 
1 1 1  -23  -12    8 o   95.211   30.590  122.394   82.502   52.261  129.925  169.779  106.796   87.433   36.265  110.124   34.743 -22.69087 50.22211 
1 1 1  -23  -12    9 o  318.725   14.527  1294.52  115.622  1461.19  229.789  1238.02  133.792  328.572   28.281  309.918   17.357 18.65436 33.18306 
1 1 1  -23  -12   10 o  271.851   14.776  946.470   99.930  927.878  202.986  952.418  114.806  257.557   32.269  271.607   17.013 -14.05045 36.47866 
1 1 1  -23  -12   11 o   89.076   20.544  107.619   44.765 -149.7796  135.365  139.224   47.433   63.132   30.217  101.952   19.339 -38.81978 35.87516 
1 1 1  -23  -12   12 f  184.445   14.092  437.499   64.417  513.994  164.452  423.634   70.012  186.013   36.707  180.871   15.655 5.141815 39.90584 
1 1 1  -23  -12   13 o  109.625   16.951  159.021   44.906  133.332  147.127  161.660   47.156  101.797   39.845  110.273   17.725 -8.475777 43.60921 
1 1 1  -23  -12   14 o   98.404   17.288  129.421   40.933  284.148  153.403  117.561   42.472  132.179   41.633   93.130   18.908 39.04877 45.72572 
1 1 1  -23  -12   15 o  142.349   15.398  265.328   53.864  245.211  160.591  267.879   57.176  121.700   42.708  142.629   16.348 -20.92866 45.73016 
1 1 1  -23  -12   16 o   81.937   33.044   73.710  104.171   0.0000   0.0000   73.710  104.171  ?   ?    81.937   33.044 0.000000 33.04414 
1 1 1  -23  -12   17 o  146.348   34.818  338.174  125.399   0.0000   0.0000  338.174  125.399  ?   ?   146.348   34.818 0.000000 34.81837 
1 1 1  -23  -12   18 o  157.683   34.933  396.388  133.930   0.0000   0.0000  396.388  133.930  ?   ?   157.683   34.933 0.000000 34.93266 
1 1 1  -23  -12   19 o  230.925   31.673  817.156  177.836   0.0000   0.0000  817.156  177.836  ?   ?   230.925   31.673 0.000000 31.67327 
1 1 1  -23  -12   20 o  214.078   32.562  718.892  168.584   0.0000   0.0000  718.892  168.584  ?   ?   214.078   32.562 0.000000 32.56151 
1 1 1  -23  -11    1 o  169.192   10.875  361.554   45.705  346.689   63.102  377.958   66.289  164.681   15.528  171.987   15.604 -7.306793 22.01390 
1 1 1  -23  -11    2 o  203.828   10.862  524.158   55.089  448.241   77.034  603.617   78.811  187.094   16.663  217.910   14.567 -30.81595 22.13230 
1 1 1  -23  -11    3 o  268.792   11.427  909.948   76.699  971.063  109.654  851.405  107.321  276.102   15.972  258.221   16.733 17.88071 23.13264 
1 1 1  -23  -11    4 o  449.506   23.685  2626.64  264.923  2706.88  381.298  2551.75  368.354  446.712   34.447  433.833   34.280 12.87921 48.59774 
1 1 1  -23  -11    5 o  212.486   28.436  604.805  147.103   0.0000   0.0000  604.805  147.103  ?   ?   212.486   28.436 0.000000 28.43605 
1 1 1  -23  -11    6 o  152.414   14.992  297.607   56.321  196.934  139.362  317.259   61.573  119.538   39.844  157.165   15.908 -37.62657 42.90223 
1 1 1  -23  -11    7 o  230.023   13.803  672.856   78.918  702.247  171.385  664.947   88.904  227.082   31.036  228.054   15.707 -0.9723969 34.78378 
1 1 1  -23  -11    8 o  130.644   15.794  220.500   50.481  300.131  135.590  207.686   54.391  144.186   37.356  126.183   17.752 18.00266 41.35935 
1 1 1  -23  -11    9 o  270.864   13.880  934.141   93.571  1003.51  193.461  912.956  106.908  272.342   28.888  266.871   16.118 5.470917 33.07972 
1 1 1  -23  -11   10 o  132.574   15.246  227.072   49.556  374.754  140.305  206.023   52.970  161.114   35.802  125.574   17.356 35.54067 39.78717 
1 1 1  -23  -11   11 o  162.357   16.824  342.016   67.220  417.039  151.921  323.753   74.956  168.688   37.076  156.894   19.556 11.79361 41.91743 
1 1 1  -23  -11   12 o  205.736   15.299  545.077   78.039  512.655  172.485  553.422   87.507  185.553   38.487  206.530   17.122 -20.97720 42.12338 
1 1 1  -23  -11   13 o  230.885   13.903  683.538   79.784  828.428  184.021  649.998   88.538  242.416   31.117  224.218   15.916 18.19843 34.95127 
1 1 1  -23  -11   14 o   82.192   18.836   91.560   37.832   41.812  138.816   95.552   39.321   85.243   36.521   83.901   19.185 1.341949 41.25349 
1 1 1  -23  -11   15 o  151.393   14.863  297.922   55.464  316.310  158.396  295.353   59.213  139.140   42.038  150.257   16.028 -11.11714 44.98992 
1 1 1  -23  -11   16 o  170.001   14.847  376.057   62.397  279.893  170.064  391.016   67.075  128.434   44.011  172.966   15.700 -44.53223 46.72794 
1 1 1  -23  -11   17 o  104.720   35.355  168.897  109.726   0.0000   0.0000  168.897  109.726  ?   ?   104.720   35.355 0.000000 35.35451 
1 1 1  -23  -11   18 o   77.188   32.367   51.333  105.136   0.0000   0.0000   51.333  105.136  ?   ?    77.188   32.367 0.000000 32.36692 
1 1 1  -23  -11   19 o  198.221   32.551  601.802  155.529   0.0000   0.0000  601.802  155.529  ?   ?   198.221   32.551 0.000000 32.55060 
1 1 1  -23  -11   20 o  121.890   37.465  252.967  125.086   0.0000   0.0000  252.967  125.086  ?   ?   121.890   37.465 0.000000 37.46515 
1 1 1  -23  -10    1 o  249.018   11.781  780.782   73.259  832.198  103.664  729.486  103.544  255.612   16.326  238.901   17.478 16.71028 23.91636 
1 1 1  -23  -10    2 o   85.159   13.934   93.933   28.606   80.414   37.628  112.445   44.031   77.849   19.420   92.120   19.735 -14.27128 27.68762 
1 1 1  -23  -10    3 o  216.913   11.230  593.720   60.621  633.904   85.700  553.477   85.762  223.122   15.477  208.094   16.643 15.02864 22.72712 
1 1 1  -23  -10    4 o  348.444   13.054  1532.79  113.586  1601.56  161.923  1466.17  159.377  353.823   18.390  338.248   18.945 15.57462 26.40236 
1 1 1  -23  -10    5 o  317.950   28.703  1341.12  225.442   0.0000   0.0000  1341.12  225.442  ?   ?   317.950   28.703 0.000000 28.70335 
1 1 1  -23  -10    6 o  276.528   16.727  976.823  114.963   0.0000   0.0000  976.823  114.963  ?   ?   276.528   16.727 0.000000 16.72692 
1 1 1  -23  -10    7 o  275.211   30.420  1019.41  205.566  1019.41  205.566   0.0000   0.0000  275.211   30.420  ?   ?  0.000000 30.41973 
1 1 1  -23  -10    8 o  116.361   15.678  175.185   44.397  429.689  131.611  142.505   47.161  177.035   30.894  103.920   18.868 73.11519 36.20012 
1 1 1  -23  -10    9 o  168.296   14.264  362.018   59.381  471.096  145.931  340.374   65.006  184.057   32.960  162.596   16.227 21.46178 36.73826 
1 1 1  -23  -10   10 o  165.369   13.922  349.614   56.958  480.594  144.098  325.360   62.008  185.881   32.211  158.941   15.834 26.93962 35.89182 
1 1 1  -23  -10   11 o  104.238   17.549  143.091   44.059  124.933  131.304  145.395   46.770  101.240   38.142  104.799   18.550 -3.559128 42.41344 
1 1 1  -23  -10   12 o  265.540   17.830  912.719  117.543  945.032  201.103  895.951  144.865  260.864   31.510  260.388   22.500 0.4755859 38.71815 
1 1 1  -23  -10   13 o  221.031   13.993  625.598   76.838  699.951  173.784  607.530   85.667  222.804   32.166  217.012   15.919 5.791855 35.88989 
1 1 1  -23  -10   14 o  131.364   15.818  224.862   50.845  177.984  148.204  231.115   54.131  111.702   40.804  132.898   16.678 -21.19643 44.08089 
1 1 1  -23  -10   15 o  113.720   16.532  170.380   45.573  260.069  153.227  161.676   47.734  128.275   41.732  110.218   17.962 18.05672 45.43364 
1 1 1  -23  -10   16 o  118.297   17.099  185.380   49.047  180.395  150.601  185.971   51.876  110.109   40.972  118.065   18.178 -7.956047 44.82383 
1 1 1  -23  -10   17 o  102.199   35.775  155.254  112.648   0.0000   0.0000  155.254  112.648  ?   ?   102.199   35.775 0.000000 35.77478 
1 1 1  -23  -10   18 o  212.534   31.469  667.416  161.968   0.0000   0.0000  667.416  161.968  ?   ?   212.534   31.469 0.000000 31.46856 
1 1 1  -23  -10   19 o  135.744   36.784  298.999  127.794   0.0000   0.0000  298.999  127.794  ?   ?   135.744   36.784 0.000000 36.78358 
1 1 1  -23  -10   20 o  239.556   31.596  866.176  184.402   0.0000   0.0000  866.176  184.402  ?   ?   239.556   31.596 0.000000 31.59649 
1 1 1  -23  -10   21 o  110.820   37.683  207.870  124.661   0.0000   0.0000  207.870  124.661  ?   ?   110.820   37.683 0.000000 37.68253 
1 1 1  -23   -9    1 o  329.149   12.957  1366.03  106.500  1478.46  151.158  1255.21  150.076  340.503   17.839  313.112   19.288 27.39185 26.27259 
1 1 1  -23   -9    2 o  404.394   14.233  2066.52  143.734  2156.80  203.624  1976.86  202.918  410.827   19.848  392.380   20.783 18.44647 28.73831 
1 1 1  -23   -9    3 o   71.603   15.102   67.283   26.154   68.283   33.919   65.817   41.074   71.870   18.715   71.193   21.384 0.6778107 28.41670 
1 1 1  -23   -9    4 o  144.165   11.133  263.024   39.769  230.772   54.387  300.083   58.300  133.831   16.633  153.151   15.455 -19.32048 22.70487 
1 1 1  -23   -9    5 o  190.705   15.592  464.083   73.604  442.748   88.024  513.676  134.202  185.175   19.320  196.208   28.200 -11.03328 34.18384 
1 1 1  -23   -9    6 o  149.281   15.619  285.667   57.364  257.898   64.886  385.047  122.749  140.889   18.921  168.412   30.302 -27.52284 35.72381 
1 1 1  -23   -9    7 f  214.459   13.754  584.060   73.272  709.351  161.128  551.397   82.271  230.463   28.613  207.738   15.982 22.72588 32.77381 
1 1 1  -23   -9    8 o  186.562   13.824  442.912   63.946  596.756  148.919  408.134   70.805  210.641   29.087  178.452   16.061 32.18814 33.22692 
1 1 1  -23   -9    9 o  124.049   15.623  198.633   47.321  355.258  130.673  174.993   50.767  159.290   33.892  115.636   18.181 43.65365 38.46072 
1 1 1  -23   -9   10 o  247.910   14.417  782.946   88.869  707.667  184.072  805.825  101.479  226.052   33.633  250.836   16.289 -24.78448 37.36985 
1 1 1  -23   -9   11 o  237.142   14.573  717.788   85.881  702.714  179.951  722.234   97.728  225.027   33.004  237.112   16.610 -12.08481 36.94828 
1 1 1  -23   -9   12 o  290.963   18.053  1093.40  130.521  1200.03  217.895  1033.73  162.999  296.677   29.815  279.649   23.561 17.02780 38.00029 
1 1 1  -23   -9   13 o  119.499   18.438  188.305   53.251  142.007  140.219  196.107   57.564  105.291   39.465  121.593   19.626 -16.30264 44.07534 
1 1 1  -23   -9   14 f  172.714   14.458  383.583   61.783  662.453  160.399  335.000   66.949  218.056   30.273  160.441   16.968 57.61494 34.70406 
1 1 1  -23   -9   15 o  111.700   16.908  164.396   45.688   80.066  142.123  174.116   48.250   92.677   38.136  114.861   17.364 -22.18331 41.90313 
1 1 1  -23   -9   16 o  207.806   15.052  558.080   77.582  469.935  179.327  578.376   86.051  171.982   42.096  210.875   16.472 -38.89226 45.20393 
1 1 1  -23   -9   17 o   87.947   19.141  105.239   40.843   70.857  151.826  107.922   42.406   91.168   38.596   88.934   19.621 2.234001 43.29720 
1 1 1  -23   -9   18 o  222.038   30.928  716.577  166.829   0.0000   0.0000  716.577  166.829  ?   ?   222.038   30.928 0.000000 30.92777 
1 1 1  -23   -9   19 o   80.428   33.021   63.884  106.250   0.0000   0.0000   63.884  106.250  ?   ?    80.428   33.021 0.000000 33.02053 
1 1 1  -23   -9   20 o  116.865   37.425  223.382  123.566   0.0000   0.0000  223.382  123.566  ?   ?   116.865   37.425 0.000000 37.42518 
1 1 1  -23   -9   21 o  102.868   37.108  169.154  122.016   0.0000   0.0000  169.154  122.016  ?   ?   102.868   37.108 0.000000 37.10791 
1 1 1  -23   -9   22 o  191.484   34.934  583.478  160.889   0.0000   0.0000  583.478  160.889  ?   ?   191.484   34.934 0.000000 34.93398 
1 1 1  -23   -8    1 o  303.462   12.488  1160.04   94.637  1233.03  133.789  1086.95  133.885  311.155   17.287  291.673   18.477 19.48193 25.30270 
1 1 1  -23   -8    2 o  270.781   12.933  924.340   87.452  958.157  123.227  890.026  124.129  273.868   18.121  263.619   18.983 10.24933 26.24327 
1 1 1  -23   -8    3 o  268.323   11.298  905.691   75.704  934.930  107.322  876.734  106.804  271.184   15.918  262.441   16.379 8.742279 22.83933 
1 1 1  -23   -8    4 o  296.761   12.013  1109.11   89.026  1084.80  125.724  1133.56  126.081  291.653   17.340  298.277   16.997 -6.623993 24.28172 
1 1 1  -23   -8    5 o   44.675   17.659   14.344   29.156   18.855   30.565 -31.2304   97.158   47.264   18.255   65.299   29.171 -18.03513 34.41216 
1 1 1  -23   -8    6 o  207.223   15.739  547.559   80.836  496.888   95.426  676.312  152.112  196.162   19.749  225.952   27.527 -29.78976 33.87899 
1 1 1  -23   -8    7 o  113.810   12.153  165.094   34.004  147.369   46.067  186.313   50.403  106.132   18.027  119.809   17.352 -13.67712 25.02098 
1 1 1  -23   -8    8 o  169.349   11.202  362.708   47.107  352.743   66.435  372.784   66.805  165.833   16.252  170.626   15.860 -4.792511 22.70822 
1 1 1  -23   -8    9 o  233.835   13.783  694.386   80.125  731.849  166.965  683.177   91.328  233.504   29.278  231.290   15.909 2.213776 33.32080 
1 1 1  -23   -8   10 o  229.939   14.196  672.792   81.117  746.996  171.035  651.256   92.139  235.243   29.782  225.481   16.478 9.761627 34.03675 
1 1 1  -23   -8   11 o  430.486   17.856  2374.38  191.955  2603.40  351.104  2276.74  229.250  437.310   32.381  418.265   22.026 19.04568 39.16247 
1 1 1  -23   -8   12 o  314.495   15.556  1261.26  122.169  1207.28  234.559  1281.36  143.113  296.450   32.203  315.275   18.256 -18.82529 37.01739 
1 1 1  -23   -8   13 o  111.335   18.903  163.980   50.674  113.212  138.828  171.784   54.430   99.983   38.824  113.695   19.896 -13.71156 43.62466 
1 1 1  -23   -8   14 o   92.304   18.658  113.801   41.528  199.654  135.398  104.886   43.631  117.535   39.275   88.163   20.245 29.37294 44.18600 
1 1 1  -23   -8   15 o  169.384   14.584  369.277   61.088  520.662  159.853  343.389   66.105  189.602   35.053  162.611   16.508 26.99072 38.74574 
1 1 1  -23   -8   16 o  188.169   14.449  455.867   67.378  547.702  168.044  438.275   73.548  192.565   36.277  183.777   16.192 8.788300 39.72609 
1 1 1  -23   -8   17 o  124.783   15.915  203.913   48.462  201.621  152.126  204.171   51.126  115.461   41.459  124.510   16.878 -9.049751 44.76317 
1 1 1  -23   -8   18 o  230.202   14.421  684.389   82.484  787.322  195.299  662.042   90.998  229.781   35.153  225.381   16.278 4.399948 38.73928 
1 1 1  -23   -8   19 o  178.261   33.697  477.309  144.508   0.0000   0.0000  477.309  144.508  ?   ?   178.261   33.697 0.000000 33.69749 
1 1 1  -23   -8   20 o  249.302   31.372  915.889  190.984   0.0000   0.0000  915.889  190.984  ?   ?   249.302   31.372 0.000000 31.37236 
1 1 1  -23   -8   21 o   90.859   35.767  110.493  119.154   0.0000   0.0000  110.493  119.154  ?   ?    90.859   35.767 0.000000 35.76735 
1 1 1  -23   -8   22 o  177.120   36.217  502.332  154.782   0.0000   0.0000  502.332  154.782  ?   ?   177.120   36.217 0.000000 36.21661 
1 1 1  -23   -8   23 o  160.111   37.731  427.876  148.385   0.0000   0.0000  427.876  148.385  ?   ?   160.111   37.731 0.000000 37.73081 
1 1 1  -23   -7    1 o  465.004   15.210  2734.65  176.615  2811.54  249.073  2656.90  250.475  468.643   21.283  455.169   22.036 13.47491 30.63614 
1 1 1  -23   -7    2 o  193.064   10.398  469.563   49.945  472.718   69.410  466.176   71.922  192.908   14.515  191.412   15.171 1.496689 20.99624 
1 1 1  -23   -7    3 o  207.278   11.616  542.237   59.885  622.040   84.509  461.748   84.872  221.196   15.395  189.715   18.136 31.48061 23.78929 
1 1 1  -23   -7    4 o  357.444   18.772  1632.15  166.977   0.0000   0.0000  1632.15  166.977  ?   ?   357.444   18.772 0.000000 18.77240 
1 1 1  -23   -7    5 o  132.776   17.040  227.373   55.194  227.373   55.194   0.0000   0.0000  132.776   17.040  ?   ?  0.000000 17.03967 
1 1 1  -23   -7    6 o  110.872   17.400  159.863   46.589  171.810   51.439  105.328  109.903  114.728   18.591   95.741   35.113 18.98759 39.73095 
1 1 1  -23   -7    7 o  309.503   12.007  1206.94   92.799  1273.11  132.784  1143.75  129.743  316.060   16.885  299.324   17.433 16.73608 24.26972 
1 1 1  -23   -7    8 o  110.295   12.506  155.353   33.836  154.592   45.884  156.260   50.095  108.907   17.462  109.092   19.084 -0.1845551 25.86692 
1 1 1  -23   -7    9 o  115.680   12.551  170.806   35.675  264.113   50.640   78.870   50.266  143.755   14.296   77.680   23.729 66.07515 27.70260 
1 1 1  -23   -7   10 o  104.915   17.254  143.831   43.634  275.606  126.584  126.063   46.482  139.560   36.063   97.461   19.775 42.09858 41.12874 
1 1 1  -23   -7   11 o  421.042   16.749  2261.43  176.102  2581.82  324.677  2127.89  209.614  439.123   29.784  405.645   20.763 33.47855 36.30705 
1 1 1  -23   -7   12 o  284.850   14.590  1033.48  103.435  1091.35  208.271  1014.53  119.171  284.194   29.790  281.211   17.051 2.983795 34.32430 
1 1 1  -23   -7   13 f  183.065   17.419  433.261   78.670  345.496  154.974  463.730   91.310  152.941   40.089  188.582   19.680 -35.64050 44.65916 
1 1 1  -23   -7   14 o  107.352   19.019  152.852   49.119  221.723  139.826  143.156   52.462  123.410   39.842  103.199   21.070 20.21092 45.07039 
1 1 1  -23   -7   15 o  166.008   14.601  354.269   59.912  395.962  153.631  346.791   65.063  163.337   38.325  163.723   16.123 -0.3869019 41.57860 
1 1 1  -23   -7   16 o  177.638   14.447  405.819   63.531  584.203  164.854  374.704   68.849  201.753   33.925  169.923   16.431 31.83104 37.69435 
1 1 1  -23   -7   17 o  148.290   16.046  286.333   58.471  329.042  162.296  279.963   62.680  144.081   42.320  146.042   17.538 -1.961136 45.80990 
1 1 1  -23   -7   18 o  318.514   15.523  1308.55  123.469  1294.42  248.739  1313.17  142.227  298.184   34.013  316.858   18.050 -18.67447 38.50595 
1 1 1  -23   -7   19 o   81.514   33.611   59.444  110.671   0.0000   0.0000   59.444  110.671  ?   ?    81.514   33.611 0.000000 33.61075 
1 1 1  -23   -7   20 f  250.689   31.247  916.468  191.364   0.0000   0.0000  916.468  191.364  ?   ?   250.689   31.247 0.000000 31.24684 
1 1 1  -23   -7   21 o  118.917   38.272  230.118  129.099   0.0000   0.0000  230.118  129.099  ?   ?   118.917   38.272 0.000000 38.27195 
1 1 1  -23   -7   22 o   74.086   32.606   17.128  116.937   0.0000   0.0000   17.128  116.937  ?   ?    74.086   32.606 0.000000 32.60572 
1 1 1  -23   -7   23 o  111.873   38.753  210.193  132.019   0.0000   0.0000  210.193  132.019  ?   ?   111.873   38.753 0.000000 38.75302 
1 1 1  -23   -6    1 o  311.618   13.118  1223.92  102.078  1317.27  143.634  1128.65  145.097  321.496   17.963  296.902   19.682 24.59354 26.64639 
1 1 1  -23   -6    2 o  369.037   13.490  1717.57  124.314  1782.80  175.394  1651.72  176.222  373.761   18.853  359.361   19.712 14.40027 27.27637 
1 1 1  -23   -6    3 o  195.241   11.179  480.813   54.275  510.445   75.599  449.295   77.968  200.340   15.225  187.495   16.832 12.84486 22.69592 
1 1 1  -23   -6    4 o  170.020   11.822  365.506   49.882  407.303   68.765  319.087   72.467  178.738   15.562  157.233   18.831 21.50502 24.42885 
1 1 1  -23   -6    5 o  407.092   14.444  2094.22  146.837  2168.26  207.620  2020.13  207.698  411.890   20.185  396.664   21.043 15.22604 29.15945 
1 1 1  -23   -6    6 o  238.623   14.800  722.848   87.756  542.282  105.764  1121.87  157.224  204.761   20.980  295.020   21.489 -90.25864 30.03252 
1 1 1  -23   -6    7 o  368.815   18.239  1732.89  167.983  1480.03  221.028  2078.67  258.470  336.224   26.541  399.071   26.080 -62.84750 37.20982 
1 1 1  -23   -6    8 o  230.615   11.662  671.419   66.941  745.881   94.567  596.637   94.771  242.039   15.731  215.774   17.746 26.26500 23.71460 
1 1 1  -23   -6    9 o  391.061   13.802  1933.44  134.786  1945.21  190.578  1921.65  190.655  389.314   19.667  386.872   19.801 2.442474 27.90802 
1 1 1  -23   -6   10 o  246.978   11.966  769.164   73.797  718.609  103.954  820.526  104.782  236.727   17.713  253.417   16.650 -16.68933 24.31040 
1 1 1  -23   -6   11 o  230.589   11.352  670.173   65.368  676.372   92.935  664.104   91.961  229.975   16.288  227.877   16.267 2.097565 23.02008 
1 1 1  -23   -6   12 o  155.979   15.131  311.948   58.195  359.907  141.809  302.235   63.817  159.002   36.488  152.988   16.991 6.014145 40.25053 
1 1 1  -23   -6   13 o  302.206   14.547  1160.58  109.783  1335.41  216.417  1100.00  127.391  316.036   27.702  292.587   17.516 23.44885 32.77508 
1 1 1  -23   -6   14 o  122.323   18.401  196.385   54.468  187.555  137.734  198.022   59.302  115.907   39.608  122.286   20.120 -6.378922 44.42533 
1 1 1  -23   -6   15 o  166.447   15.443  356.796   63.459  431.206  154.589  341.716   69.593  172.136   37.060  162.177   17.459 9.958710 40.96622 
1 1 1  -23   -6   16 o  225.780   14.301  652.789   80.216  782.804  181.234  621.114   89.455  236.833   31.420  219.329   16.453 17.50389 35.46674 
1 1 1  -23   -6   17 o  104.557   18.111  145.287   45.574   92.399  144.469  151.132   48.026   95.508   38.775  106.473   18.748 -10.96457 43.06915 
1 1 1  -23   -6   18 o  272.647   15.165  958.101  102.845  998.984  217.302  946.300  116.749  263.030   33.870  269.615   17.434 -6.584991 38.09358 
1 1 1  -23   -6   19 o   89.953   19.134  109.771   41.660  150.033  149.617  106.387   43.375  104.677   40.399   88.232   20.131 16.44556 45.13726 
1 1 1  -23   -6   20 o  167.318   35.618  426.621  144.256   0.0000   0.0000  426.621  144.256  ?   ?   167.318   35.618 0.000000 35.61824 
1 1 1  -23   -6   21 o  109.518   38.029  187.156  127.170   0.0000   0.0000  187.156  127.170  ?   ?   109.518   38.029 0.000000 38.02906 
1 1 1  -23   -6   22 o  110.173   38.337  194.282  129.273   0.0000   0.0000  194.282  129.273  ?   ?   110.173   38.337 0.000000 38.33747 
1 1 1  -23   -6   23 f   75.409   32.859   27.321  116.169   0.0000   0.0000   27.321  116.169  ?   ?    75.409   32.859 0.000000 32.85915 
1 1 1  -23   -6   24 o  203.553   35.662  656.835  174.667   0.0000   0.0000  656.835  174.667  ?   ?   203.553   35.662 0.000000 35.66204 
1 1 1  -23   -5    1 o  293.122   11.895  1081.06   87.067  1120.14  121.964  1040.44  124.334  296.884   16.516  285.784   17.507 11.10034 24.06799 
1 1 1  -23   -5    2 o  256.115   11.981  825.442   76.623  884.068  107.364  764.586  109.387  263.676   16.387  244.663   18.031 19.01291 24.36476 
1 1 1  -23   -5    3 o  315.500   17.745  1268.22  139.237   0.0000   0.0000  1268.22  139.237  ?   ?   315.500   17.745 0.000000 17.74480 
1 1 1  -23   -5    4 o  109.644   13.787  154.003   36.913  185.546   46.901  102.659   59.838  120.026   16.050   88.093   25.646 31.93319 30.25413 
1 1 1  -23   -5    5 o  196.979   11.834  490.034   57.943  583.212   81.199  393.361   82.708  214.185   15.282  174.666   19.284 39.51881 24.60475 
1 1 1  -23   -5    6 o  225.321   15.764  646.037   88.140  593.823  108.292  748.506  151.705  214.590   20.456  239.036   25.825 -24.44627 32.94530 
1 1 1  -23   -5    7 o  344.532   18.701  1517.11  160.291  1467.16  212.712  1582.74  243.834  335.454   25.586  346.814   28.404 -11.36035 38.22805 
1 1 1  -23   -5    8 f  260.955   11.600  857.288   75.591  879.244  106.498  834.996  107.310  262.746   16.312  255.841   16.891 6.904312 23.48196 
1 1 1  -23   -5    9 o  371.474   13.123  1741.90  121.737  1726.92  171.960  1756.95  172.363  367.328   18.810  370.575   18.686 -3.246552 26.51367 
1 1 1  -23   -5   10 o  205.833   11.737  535.534   60.078  572.636   84.575  497.742   85.357  211.749   16.115  196.919   17.542 14.82935 23.82051 
1 1 1  -23   -5   11 o  337.661   13.006  1440.51  109.668  1449.89  155.055  1431.12  155.133  336.255   18.537  334.001   18.674 2.253784 26.31288 
1 1 1  -23   -5   12 o  113.334   12.008  163.859   33.466  142.896   45.617  188.289   49.246  104.295   18.176  120.443   16.833 -16.14845 24.77360 
1 1 1  -23   -5   13 o  200.351   14.719  512.463   73.128  420.542  157.194  537.851   82.611  171.331   37.759  204.782   16.289 -33.45105 41.12245 
1 1 1  -23   -5   14 o   64.825   20.875   53.428   38.404  -3.9554  127.213   59.182   40.284   78.115   34.202   67.726   21.335 10.38937 40.31091 
1 1 1  -23   -5   15 o  159.661   16.408  329.372   64.487  625.776  152.953  265.294   71.117  213.958   29.405  141.667   20.715 72.29027 35.96840 
1 1 1  -23   -5   16 o  116.602   16.918  177.921   47.824  357.970  145.041  155.958   50.657  155.868   37.680  108.244   19.456 47.62389 42.40630 
1 1 1  -23   -5   17 o  173.473   14.512  386.896   62.290  488.533  163.369  369.607   67.380  182.249   37.157  168.942   16.169 13.30707 40.52214 
1 1 1  -23   -5   18 o  211.079   14.618  573.054   76.578  724.013  183.906  541.389   84.227  224.375   33.878  204.247   16.659 20.12759 37.75188 
1 1 1  -23   -5   19 f  212.178   14.565  580.268   76.706  501.410  184.440  596.760   84.346  178.034   42.140  214.572   15.854 -36.53802 45.02382 
1 1 1  -23   -5   20 o  227.263   16.234  672.289   91.525   0.0000   0.0000  672.289   91.525  ?   ?   227.263   16.234 0.000000 16.23414 
1 1 1  -23   -5   21 o  134.928   38.064  289.225  133.824   0.0000   0.0000  289.225  133.824  ?   ?   134.928   38.064 0.000000 38.06443 
1 1 1  -23   -5   22 o  145.540   38.412  341.659  141.646   0.0000   0.0000  341.659  141.646  ?   ?   145.540   38.412 0.000000 38.41237 
1 1 1  -23   -5   23 o   75.441   33.068   20.336  119.210   0.0000   0.0000   20.336  119.210  ?   ?    75.441   33.068 0.000000 33.06815 
1 1 1  -23   -5   24 o  168.682   38.882  468.670  160.427   0.0000   0.0000  468.670  160.427  ?   ?   168.682   38.882 0.000000 38.88250 
1 1 1  -23   -5   25 o  175.457   38.481  510.733  163.962   0.0000   0.0000  510.733  163.962  ?   ?   175.457   38.481 0.000000 38.48077 
1 1 1  -23   -4    1 o  524.332   16.333  3482.36  213.854  3466.07  300.665  3499.04  304.237  519.359   23.183  521.715   23.352 -2.356018 32.90542 
1 1 1  -23   -4    2 o  436.089   20.446  2428.51  222.652   0.0000   0.0000  2428.51  222.652  ?   ?   436.089   20.446 0.000000 20.44563 
1 1 1  -23   -4    3 o  121.555   16.855  190.744   49.785  190.744   49.785   0.0000   0.0000  121.555   16.855  ?   ?  0.000000 16.85484 
1 1 1  -23   -4    4 o  249.698   11.417  784.102   71.187  769.310   98.973  799.956  102.466  245.931   16.207  250.731   16.456 -4.800751 23.09695 
1 1 1  -23   -4    5 o  243.232   11.418  744.094   69.353  750.100   96.496  737.676   99.745  242.861   16.001  240.637   16.702 2.223373 23.12986 
1 1 1  -23   -4    6 o  160.588   16.693  330.458   65.963  356.868   76.567  254.430  129.911  166.410   18.752  135.197   37.276 31.21339 41.72689 
1 1 1  -23   -4    7 o  228.769   15.863  666.089   90.063  611.544  110.777  772.439  154.682  217.722   20.621  242.796   25.912 -25.07455 33.11597 
1 1 1  -23   -4    8 o  389.217   13.578  1912.46  131.969  2109.28  187.055  1717.41  186.212  406.890   18.410  365.766   20.469 41.12369 27.52990 
1 1 1  -23   -4    9 o  341.232   13.245  1469.72  112.863  1453.30  159.317  1486.27  159.911  336.898   19.015  340.775   18.865 -3.877441 26.78515 
1 1 1  -23   -4   10 o  221.041   11.544  616.950   63.497  624.132   89.044  609.518   90.572  221.131   16.239  218.365   16.737 2.765793 23.32008 
1 1 1  -23   -4   11 o  257.737   11.857  837.349   76.315  887.199  107.841  787.342  108.011  263.659   16.461  247.946   17.558 15.71370 24.06796 
1 1 1  -23   -4   12 o  130.552   12.216  216.911   39.363  209.864   53.789  225.037   57.758  127.168   17.394  131.578   18.054 -4.409798 25.07004 
1 1 1  -23   -4   13 f  225.543   11.386  643.059   63.923  698.771   90.365  587.260   90.436  233.916   15.559  213.856   17.077 20.06065 23.10172 
1 1 1  -23   -4   14 o  220.806   14.228  621.315   78.037  632.110  169.129  618.395   87.960  214.000   32.685  219.649   16.150 -5.648788 36.45732 
1 1 1  -23   -4   15 o  153.629   17.876  306.719   67.297  203.217  145.533  334.870   75.899  120.000   40.716  160.081   19.381 -40.08093 45.09322 
1 1 1  -23   -4   16 o  196.879   14.199  495.713   69.341  701.921  166.258  452.290   76.294  225.965   30.221  187.237   16.485 38.72789 34.42478 
1 1 1  -23   -4   17 o   94.068   19.105  118.435   43.348  144.303  141.580  115.759   45.534  105.769   39.653   92.673   20.243 13.09676 44.52130 
1 1 1  -23   -4   18 o   81.033   19.617   88.798   39.270  118.421  143.043   86.383   40.840  100.170   39.266   79.815   20.410 20.35493 44.25326 
1 1 1  -23   -4   19 o   81.915   20.003   91.241   40.564 -17.2810  149.029   99.924   42.155   80.029   35.913   85.739   20.047 -5.709808 41.12972 
1 1 1  -23   -4   20 o  360.537   16.126  1680.41  145.187  1801.49  285.648  1638.23  168.587  354.143   32.668  353.041   19.195 1.101929 37.89004 
1 1 1  -23   -4   21 o  126.775   38.032  252.364  129.982   0.0000   0.0000  252.364  129.982  ?   ?   126.775   38.032 0.000000 38.03152 
1 1 1  -23   -4   22 o  341.267   33.786  1727.15  284.142   0.0000   0.0000  1727.15  284.142  ?   ?   341.267   33.786 0.000000 33.78578 
1 1 1  -23   -4   23 o  164.230   38.069  430.942  153.082   0.0000   0.0000  430.942  153.082  ?   ?   164.230   38.069 0.000000 38.06925 
1 1 1  -23   -4   24 o  115.202   39.561  219.451  137.441   0.0000   0.0000  219.451  137.441  ?   ?   115.202   39.561 0.000000 39.56147 
1 1 1  -23   -4   25 o  106.426   39.281  184.223  137.871   0.0000   0.0000  184.223  137.871  ?   ?   106.426   39.281 0.000000 39.28122 
1 1 1  -23   -3    1 f  268.513   12.778  908.225   85.680  975.052  119.740  838.108  122.652  276.654   17.421  255.807   19.343 20.84630 26.03194 
1 1 1  -23   -3    2 o  195.660   11.647  483.191   56.650  506.768   77.866  456.680   82.571  199.522   15.756  188.853   17.716 10.66840 23.70870 
1 1 1  -23   -3    3 f  239.153   11.229  719.047   67.062  688.630   92.198  753.219   97.722  232.705   15.962  243.365   16.172 -10.65952 22.72287 
1 1 1  -23   -3    4 o  325.130   12.654  1331.53  102.742  1319.76  143.544  1343.89  147.119  321.802   17.934  324.634   18.221 -2.831512 25.56654 
1 1 1  -23   -3    5 o  347.416   18.618  1540.27  160.933  1450.43  212.723  1660.50  246.093  333.852   25.714  356.084   27.899 -22.23209 37.94117 
1 1 1  -23   -3    6 o  137.987   16.788  244.901   56.654  257.595   64.508  202.083  118.474  141.070   18.778  121.506   36.277 19.56319 40.84908 
1 1 1  -23   -3    7 o  133.920   16.640  230.818   54.447  227.452   61.390  243.226  117.865  132.299   19.138  132.540   35.068 -0.2408447 39.94999 
1 1 1  -23   -3    8 o  326.749   13.167  1346.76  107.435  1377.27  151.422  1315.82  152.456  328.301   18.546  320.637   19.128 7.664246 26.64237 
1 1 1  -23   -3    9 o  185.327   11.376  433.822   52.395  441.432   72.717  425.605   75.559  185.972   15.808  182.331   16.783 3.640457 23.05580 
1 1 1  -23   -3   10 o  172.767   12.080  377.921   51.791  382.229   71.732  373.231   74.854  172.639   16.854  170.300   17.868 2.338699 24.56223 
1 1 1  -23   -3   11 o  217.863   11.308  599.230   61.310  632.377   85.997  564.969   87.432  222.750   15.558  210.123   16.803 12.62688 22.89965 
1 1 1  -23   -3   12 o  256.120   11.794  827.019   75.430  900.646  106.648  753.319  106.700  265.697   16.150  242.362   17.753 23.33469 24.00030 
1 1 1  -23   -3   13 o  110.044   12.721  154.979   34.313  166.269   45.804  140.540   51.799  113.086   16.724  102.711   20.906 10.37474 26.77255 
1 1 1  -23   -3   14 o  239.069   11.066  720.560   66.063  699.395   92.673  742.428   94.199  233.807   15.968  241.003   15.739 -7.196640 22.42043 
1 1 1  -23   -3   15 o  151.002   17.783  296.036   65.771  384.487  146.427  273.679   73.616  163.686   36.726  144.001   21.097 19.68460 42.35458 
1 1 1  -23   -3   16 o  185.801   14.399  441.721   66.289  768.352  164.584  378.475   72.423  238.218   28.215  171.007   17.192 67.21089 33.04055 
1 1 1  -23   -3   17 o  158.326   15.202  322.903   59.364  459.927  153.030  298.630   64.408  178.776   35.530  151.506   17.336 27.27002 39.53365 
1 1 1  -23   -3   18 o   65.298   20.215   55.787   36.342  230.268  141.462   43.458   37.604  124.272   40.070   59.943   20.687 64.32935 45.09470 
1 1 1  -23   -3   19 o  108.319   17.655  155.348   46.111  293.087  153.122  141.611   48.356  137.411   41.291  102.683   19.573 34.72721 45.69499 
1 1 1  -23   -3   20 o  237.933   14.966  729.947   88.470  637.121  195.676  753.797   99.187  204.037   39.833  240.943   16.586 -36.90530 43.14864 
1 1 1  -23   -3   21 o   86.156   20.401  101.705   43.214   0.0000   0.0000  101.705   43.214  ?   ?    86.156   20.401 0.000000 20.40090 
1 1 1  -23   -3   22 o  279.705   32.282  1139.62  221.343   0.0000   0.0000  1139.62  221.343  ?   ?   279.705   32.282 0.000000 32.28225 
1 1 1  -23   -3   23 f  198.554   35.435  601.297  169.252   0.0000   0.0000  601.297  169.252  ?   ?   198.554   35.435 0.000000 35.43515 
1 1 1  -23   -3   24 o  236.490   34.443  849.579  197.431   0.0000   0.0000  849.579  197.431  ?   ?   236.490   34.443 0.000000 34.44261 
1 1 1  -23   -3   25 o  185.001   38.061  551.011  169.967   0.0000   0.0000  551.011  169.967  ?   ?   185.001   38.061 0.000000 38.06074 
1 1 1  -23   -3   26 o  100.531   39.501  155.446  145.074   0.0000   0.0000  155.446  145.074  ?   ?   100.531   39.501 0.000000 39.50098 
1 1 1  -23   -2    1 o  256.439   16.493  836.625  105.057   0.0000   0.0000  836.625  105.057  ?   ?   256.439   16.493 0.000000 16.49307 
1 1 1  -23   -2    2 o  208.467   16.507  554.003   85.229  554.003   85.229   0.0000   0.0000  208.467   16.507  ?   ?  0.000000 16.50679 
1 1 1  -23   -2    3 o  128.178   13.037  209.128   41.149  241.781   55.010  167.644   62.004  137.219   16.377  112.364   22.875 24.85474 28.13316 
1 1 1  -23   -2    4 o  201.169   11.653  510.749   58.289  510.882   79.861  510.597   85.272  200.229   16.108  199.879   17.253 0.3500824 23.60379 
1 1 1  -23   -2    5 o  235.971   17.151  710.177  100.371  758.873  125.306  622.998  167.661  242.771   20.872  215.304   32.170 27.46692 38.34819 
1 1 1  -23   -2    6 o   96.971   18.843  123.651   43.986  121.606   47.907  134.631  111.020   95.790   20.637  103.356   35.553 -7.566788 41.10787 
1 1 1  -23   -2    7 o  208.383   11.578  548.011   60.013  517.008   82.414  583.009   87.563  201.262   16.544  213.803   16.529 -12.54160 23.38638 
1 1 1  -23   -2    8 o  145.703   12.253  269.248   44.169  277.789   60.474  259.483   64.664  147.042   16.769  141.547   18.756 5.495163 25.15964 
1 1 1  -23   -2    9 o  323.455   13.056  1319.80  105.459  1339.13  147.941  1299.84  150.373  323.708   18.377  318.665   18.983 5.043762 26.42086 
1 1 1  -23   -2   10 o  242.994   11.562  743.425   70.160  790.797   98.557  694.753   99.900  249.210   15.920  233.110   17.285 16.09950 23.49911 
1 1 1  -23   -2   11 o  200.661   11.442  508.644   57.099  552.236   79.826  462.975   81.706  208.139   15.469  189.938   17.420 18.20087 23.29710 
1 1 1  -23   -2   12 o  231.599   11.859  677.903   68.357  726.143   96.201  628.707   97.148  238.482   16.251  221.358   17.723 17.12396 24.04575 
1 1 1  -23   -2   13 o  275.904   11.860  960.187   81.716  957.656  114.957  962.773  116.179  273.627   16.907  274.307   17.045 -0.6799316 24.00771 
1 1 1  -23   -2   14 o  260.906   11.844  859.171   77.171  826.472  108.452  892.707  109.832  253.842   17.211  264.044   16.744 -10.20200 24.01178 
1 1 1  -23   -2   15 o  225.679   16.914  654.343   94.627  785.037  171.316  596.962  113.514  241.111   29.037  213.620   21.575 27.49072 36.17490 
1 1 1  -23   -2   16 o  229.441   13.260  669.693   75.653  790.564   98.401  494.973  118.307  248.355   15.951  192.378   25.235 55.97726 29.85355 
1 1 1  -23   -2   17 o  302.884   12.832  1163.57   97.056  1188.70  138.341  1139.22  136.199  303.176   18.359  296.716   18.473 6.459839 26.04474 
1 1 1  -23   -2   18 o  209.287   14.034  560.464   72.919  964.369  179.974  481.137   79.759  266.584   27.426  192.847   16.728 73.73662 32.12497 
1 1 1  -23   -2   19 o  167.309   14.572  360.428   60.272  667.062  163.912  312.485   64.813  218.125   30.961  154.825   17.046 63.29964 35.34369 
1 1 1  -23   -2   20 o  115.677   18.313  177.697   51.140 -36.6107  151.097  205.422   54.347   78.271   35.543  124.671   17.976 -46.40004 39.83012 
1 1 1  -23   -2   21 o  134.295   16.464  236.479   54.059  188.931  162.002  242.437   57.345  113.256   42.425  135.662   17.323 -22.40535 45.82571 
1 1 1  -23   -2   22 o  138.478   39.053  303.836  140.892   0.0000   0.0000  303.836  140.892  ?   ?   138.478   39.053 0.000000 39.05340 
1 1 1  -23   -2   23 o  162.146   37.805  412.768  150.257   0.0000   0.0000  412.768  150.257  ?   ?   162.146   37.805 0.000000 37.80513 
1 1 1  -23   -2   24 o  136.912   40.628  311.616  148.936   0.0000   0.0000  311.616  148.936  ?   ?   136.912   40.628 0.000000 40.62826 
1 1 1  -23   -2   25 o  246.169   34.842  926.900  208.202   0.0000   0.0000  926.900  208.202  ?   ?   246.169   34.842 0.000000 34.84211 
1 1 1  -23   -1    1 o  590.920   22.371  4481.74  330.109  4331.42  400.148  4802.02  584.080  576.686   27.786  593.695   39.624 -17.00909 48.39573 
1 1 1  -23   -1    2 o  269.686   11.648  914.959   78.442  894.330  107.993  938.000  114.128  265.175   16.389  271.435   16.922 -6.259460 23.55703 
1 1 1  -23   -1    3 o  244.336   16.815  760.521  101.974  745.833  126.588  787.669  172.100  240.522   21.296  244.163   28.779 -3.641281 35.80157 
1 1 1  -23   -1    4 o  279.797   17.770  998.467  123.517  1022.46  158.018  960.778  198.040  281.320   22.686  269.337   29.952 11.98285 37.57368 
1 1 1  -23   -1    5 o  115.261   17.476  172.319   48.724  144.855   53.416  308.387  118.894  104.625   21.172  150.148   32.641 -45.52254 38.90562 
1 1 1  -23   -1    6 o  242.980   17.294  753.251  104.248  807.617  130.940  659.134  172.283  250.345   21.143  221.501   32.081 28.84369 38.42154 
1 1 1  -23   -1    7 o  268.296   12.043  906.294   80.684  860.487  111.960  955.788  116.377  259.720   17.363  273.867   17.102 -14.14725 24.37119 
1 1 1  -23   -1    8 o  330.597   13.835  1380.03  114.214  1448.67  160.563  1309.71  162.501  336.483   19.188  319.344   20.485 17.13849 28.06846 
1 1 1  -23   -1    9 o  156.870   11.758  311.517   45.725  285.875   62.218  341.631   67.425  149.100   17.015  163.213   16.782 -14.11377 23.89881 
1 1 1  -23   -1   10 o  360.235   13.435  1638.54  120.856  1506.37  169.159  1776.34  172.731  342.620   19.856  373.206   18.534 -30.58673 27.16218 
1 1 1  -23   -1   11 o  128.339   12.340  209.538   39.060  213.400   52.956  204.930   57.845  128.505   16.913  125.318   19.087 3.187386 25.50229 
1 1 1  -23   -1   12 o  197.790   11.620  494.589   57.142  492.730   79.252  496.602   82.465  196.245   16.320  196.838   16.942 -0.5923462 23.52388 
1 1 1  -23   -1   13 o  302.858   12.808  1158.71   96.864  1121.81  136.120  1196.56  137.869  295.587   18.535  305.480   18.155 -9.892761 25.94485 
1 1 1  -23   -1   14 o  226.228   11.908  647.636   67.037  699.662   94.571  595.093   95.041  233.836   16.297  215.035   17.861 18.80107 24.17871 
1 1 1  -23   -1   15 o  136.978   18.078  244.262   60.325  352.824  135.602  217.476   67.358  157.721   35.309  127.928   21.871 29.79334 41.53373 
1 1 1  -23   -1   16 o  207.341   17.667  554.955   90.603  477.884  164.931  588.265  108.429  182.363   37.470  212.242   20.722 -29.87910 42.81878 
1 1 1  -23   -1   17 o  216.918   12.017  597.188   64.841  574.749   90.749  620.592   92.678  210.934   17.383  219.370   17.052 -8.436203 24.35052 
1 1 1  -23   -1   18 o  170.387   11.267  368.682   47.670  372.986   66.004  363.990   68.923  170.054   15.721  167.637   16.686 2.416504 22.92518 
1 1 1  -23   -1   19 o  332.830   15.402  1419.20  128.010  1857.63  255.088  1271.63  147.993  369.505   27.850  312.443   19.059 57.06195 33.74707 
1 1 1  -23   -1   20 o  159.448   16.124  330.307   63.318  248.557  167.152  344.002   68.416  126.791   43.624  162.351   17.134 -35.55993 46.86783 
1 1 1  -23   -1   21 o  126.945   17.068  212.102   52.736  146.746  157.291  220.379   55.976  105.606   41.236  129.145   17.833 -23.53934 44.92671 
1 1 1  -23   -1   22 o   83.843   35.340   51.926  126.391   0.0000   0.0000   51.926  126.391  ?   ?    83.843   35.340 0.000000 35.33976 
1 1 1  -23   -1   23 o   78.194   34.324   15.429  128.836   0.0000   0.0000   15.429  128.836  ?   ?    78.194   34.324 0.000000 34.32351 
1 1 1  -23   -1   24 o  187.005   37.318  544.245  168.166   0.0000   0.0000  544.245  168.166  ?   ?   187.005   37.318 0.000000 37.31849 
1 1 1  -23   -1   25 o  166.427   40.818  457.530  168.350   0.0000   0.0000  457.530  168.350  ?   ?   166.427   40.818 0.000000 40.81833 
1 1 1  -23   -1   26 o  123.303   41.946  262.163  154.465   0.0000   0.0000  262.163  154.465  ?   ?   123.303   41.946 0.000000 41.94583 
1 1 1  -23   -1   27 o   80.330   35.524   30.193  140.428   0.0000   0.0000   30.193  140.428  ?   ?    80.330   35.524 0.000000 35.52377 
1 1 1  -23    0    1 o  233.564   21.116  703.709  121.826  703.709  121.826   0.0000   0.0000  233.564   21.116  ?   ?  0.000000 21.11573 
1 1 1  -23    0    2 o  214.943   17.826  591.059   94.816  696.198  116.349  383.177  163.602  232.626   20.230  164.799   40.129 67.82767 44.93974 
1 1 1  -23    0    3 o  302.871   16.721  1166.84  125.976  943.714  157.807  1558.85  209.169  269.741   23.667  346.819   24.305 -77.07816 33.92421 
1 1 1  -23    0    4 o  277.992   17.248  984.742  119.144  939.191  150.853  1060.27  194.246  269.514   22.623  284.105   27.733 -14.59158 35.79020 
1 1 1  -23    0    5 o   96.469   19.018  122.510   44.186  105.095   47.679  228.478  117.611   88.839   21.682  128.592   35.472 -39.75281 41.57416 
1 1 1  -23    0    6 o  191.730   11.950  464.502   56.930  480.506   77.767  446.021   83.569  194.071   16.194  186.404   18.185 7.666718 24.35032 
1 1 1  -23    0    7 o  184.954   12.026  432.490   55.241  398.266   74.961  473.166   81.721  176.278   17.250  192.291   17.200 -16.01295 24.36013 
1 1 1  -23    0    8 o  181.588   12.179  417.153   54.909  426.021   75.399  407.138   80.123  182.479   16.733  177.938   18.292 4.541183 24.79083 
1 1 1  -23    0    9 o  166.831   11.867  352.209   49.117  350.279   67.065  354.443   72.136  165.361   16.460  166.035   17.670 -0.6742096 24.14828 
1 1 1  -23    0   10 o  172.981   11.888  378.643   51.040  383.250   69.858  373.368   74.754  173.023   16.362  170.365   17.836 2.657944 24.20397 
1 1 1  -23    0   11 o  132.130   12.322  221.979   40.186  237.224   54.385  203.644   59.642  135.734   16.376  124.715   19.813 11.01811 25.70471 
1 1 1  -23    0   12 o  122.837   12.455  192.265   37.678  197.545   50.792  185.805   56.185  123.515   16.912  119.011   19.587 4.503700 25.87754 
1 1 1  -23    0   13 o  184.690   12.110  432.133   55.541  483.917   77.396  377.150   79.751  194.456   16.083  170.634   19.041 23.82123 24.92423 
1 1 1  -23    0   14 o  137.540   12.135  240.610   41.252  252.546   56.240  226.709   60.693  139.911   16.409  131.729   19.000 8.181519 25.10455 
1 1 1  -23    0   15 o  132.814   18.431  230.149   59.479  424.187  137.554  185.525   65.965  174.767   32.721  117.520   23.301 57.24680 40.16954 
1 1 1  -23    0   16 o   66.139   22.259   54.063   43.492   29.858  125.400   57.373   46.370   82.883   35.082   68.095   22.983 14.78802 41.94035 
1 1 1  -23    0   17 o   82.345   14.773   88.829   29.262  101.745   38.510   71.182   45.013   87.425   18.230   73.484   22.456 13.94094 28.92422 
1 1 1  -23    0   18 o  218.824   11.750  607.715   63.971  635.994   89.703  578.449   91.255  222.247   16.276  211.426   17.440 10.82173 23.85494 
1 1 1  -23    0   19 o  350.913   13.375  1567.01  117.207  1605.99  165.841  1528.12  165.670  351.474   18.965  342.474   19.452 8.999725 27.16716 
1 1 1  -23    0   20 o   98.151   19.648  129.637   46.478  331.245  151.520  108.696   48.832  146.836   40.163   89.129   22.059 57.70689 45.82219 
1 1 1  -23    0   21 o  183.722   15.820  437.671   71.870  473.909  175.026  430.322   78.822  174.644   40.859  181.360   17.627 -6.715973 44.49902 
1 1 1  -23    0   22 o  134.845   16.542  238.612   54.534  333.771  174.697  228.338   57.402  142.223   44.369  131.305   17.979 10.91721 47.87321 
1 1 1  -23    0   23 o  126.317   40.326  255.282  143.551   0.0000   0.0000  255.282  143.551  ?   ?   126.317   40.326 0.000000 40.32624 
1 1 1  -23    0   24 f  215.365   36.738  709.987  190.488   0.0000   0.0000  709.987  190.488  ?   ?   215.365   36.738 0.000000 36.73756 
1 1 1  -23    0   26 o  190.783   38.526  582.726  177.222   0.0000   0.0000  582.726  177.222  ?   ?   190.783   38.526 0.000000 38.52562 
1 1 1  -23    0   27 o  119.942   42.168  250.457  156.588   0.0000   0.0000  250.457  156.588  ?   ?   119.942   42.168 0.000000 42.16793 
1 1 1  -23    1    1 f  134.881   17.532  234.921   57.657  210.626   63.521  348.571  137.385  126.745   20.791  158.511   35.581 -31.76660 41.20959 
1 1 1  -23    1    2 o  153.344   16.974  301.989   63.908  296.811   72.390  320.282  136.061  151.311   19.620  151.612   36.398 -0.3002777 41.34959 
1 1 1  -23    1    3 o  388.552   19.976  1933.49  193.166  1802.02  257.015  2104.15  292.831  370.645   27.974  399.556   29.559 -28.91028 40.69731 
1 1 1  -23    1    4 o  131.099   13.258  218.926   42.807  227.752   55.823  206.329   66.695  132.867   17.230  125.065   22.167 7.801857 28.07585 
1 1 1  -23    1    5 o  137.243   12.715  239.363   43.082  257.691   57.154  215.245   65.563  141.640   16.466  128.055   21.247 13.58459 26.88096 
1 1 1  -23    1    6 o  129.823   12.462  214.248   39.903  218.874   52.761  208.066   60.993  130.357   16.583  126.173   20.027 4.184349 26.00180 
1 1 1  -23    1    7 o  188.738   11.876  450.218   55.690  436.492   76.167  465.984   81.630  184.737   16.691  190.753   17.326 -6.015640 24.05757 
1 1 1  -23    1    8 o  209.159   11.223  551.922   58.405  514.931   79.508  595.274   86.075  200.933   15.978  216.104   16.065 -15.17128 22.65763 
1 1 1  -23    1    9 o  349.523   13.091  1541.45  114.260  1519.16  159.353  1565.04  163.920  344.697   18.581  349.764   18.837 -5.067230 26.45940 
1 1 1  -23    1   10 o  176.113   11.762  392.342   51.432  378.527   70.263  408.288   75.491  171.875   16.576  178.402   17.157 -6.527435 23.85610 
1 1 1  -23    1   11 o  154.365   12.148  302.196   46.450  298.962   62.835  306.092   68.974  152.471   16.781  153.883   18.309 -1.411697 24.83541 
1 1 1  -23    1   12 o  176.506   11.857  394.436   51.959  388.977   71.275  400.628   75.907  174.131   16.592  176.496   17.451 -2.365402 24.07969 
1 1 1  -23    1   13 o  136.926   11.925  238.208   40.367  262.131   54.495  209.120   60.089  142.871   15.524  126.303   19.694 16.56768 25.07675 
1 1 1  -23    1   14 o  169.033   11.620  362.024   48.750  362.304   66.788  361.704   71.321  167.981   16.120  167.494   17.301 0.4873047 23.64669 
1 1 1  -23    1   15 o  187.121   17.762  451.881   82.001  337.248  148.716  501.959   98.294  152.587   38.909  196.342   20.343 -43.75478 43.90604 
1 1 1  -23    1   16 o  243.730   16.716  762.609  101.127  1053.61  181.006  630.558  121.932  281.498   26.045  219.005   22.621 62.49335 34.49684 
1 1 1  -23    1   17 o  178.157   11.436  402.600   50.607  378.571   69.337  429.994   74.033  171.316   16.408  182.673   16.404 -11.35762 23.20188 
1 1 1  -23    1   18 o  250.923   11.652  796.576   73.013  766.211  102.200  828.230  104.345  243.811   16.890  253.677   16.563 -9.865509 23.65575 
1 1 1  -23    1   19 o  214.382   12.275  584.777   65.439  581.274   91.476  588.449   93.653  211.738   17.456  212.905   17.778 -1.166458 24.91504 
1 1 1  -23    1   20 o  316.280   12.350  1270.78   97.542  1268.84  137.894  1272.72  137.997  312.765   17.728  313.254   17.713 -0.4894409 25.06110 
1 1 1  -23    1   21 o  179.204   12.020  409.880   53.480  446.543   75.441  372.841   75.826  185.366   16.469  168.468   18.319 16.89737 24.63387 
1 1 1  -23    1   22 o  108.440   19.458  158.228   50.756   55.202  155.615  170.492   53.692   90.393   38.696  112.512   19.835 -22.11943 43.48338 
1 1 1  -23    1   23 o  163.976   39.322  422.096  158.937   0.0000   0.0000  422.096  158.937  ?   ?   163.976   39.322 0.000000 39.32221 
1 1 1  -23    1   24 o  295.957   34.289  1298.88  248.722   0.0000   0.0000  1298.88  248.722  ?   ?   295.957   34.289 0.000000 34.28896 
1 1 1  -23    1   25 o  154.110   41.681  394.483  164.273   0.0000   0.0000  394.483  164.273  ?   ?   154.110   41.681 0.000000 41.68115 
1 1 1  -23    1   26 o  159.784   40.887  423.883  163.816   0.0000   0.0000  423.883  163.816  ?   ?   159.784   40.887 0.000000 40.88667 
1 1 1  -23    1   27 o   77.075   34.822  -4.6491  142.857   0.0000   0.0000  -4.6491  142.857  ?   ?    77.075   34.822 0.000000 34.82246 
1 1 1  -23    1   28 f   84.476   36.987   51.032  148.766   0.0000   0.0000   51.032  148.766  ?   ?    84.476   36.987 0.000000 36.98673 
1 1 1  -23    2    1 o  164.398   12.469  342.585   50.809  360.227   67.998  320.282   76.452  167.699   16.449  157.089   19.938 10.61015 25.84771 
1 1 1  -23    2    2 o  102.111   15.091  134.706   37.320  128.626   48.182  143.825   59.006   98.571   20.252  103.680   23.351 -5.109901 30.90995 
1 1 1  -23    2    3 o  196.712   11.845  488.956   57.915  498.682   78.411  477.280   85.911  197.707   16.020  192.835   18.051 4.871445 24.13421 
1 1 1  -23    2    4 o  401.276   14.180  2034.78  142.094  2098.52  198.677  1968.04  203.307  405.305   19.630  391.414   20.875 13.89050 28.65504 
1 1 1  -23    2    5 o  284.394   12.296  1019.03   87.322  984.685  120.677  1056.77  126.514  277.769   17.487  287.720   17.694 -9.950317 24.87719 
1 1 1  -23    2    6 o  275.552   12.663  957.213   87.136  952.860  120.649  961.959  125.981  273.111   17.787  274.163   18.510 -1.051575 25.67089 
1 1 1  -23    2    7 o  198.426   11.760  497.438   58.010  507.955   79.297  485.329   85.086  199.525   16.051  194.550   17.707 4.975143 23.89935 
1 1 1  -23    2    8 o  353.871   13.741  1581.77  121.424  1486.50  169.117  1683.14  174.447  340.327   19.987  362.513   19.340 -22.18604 27.81236 
1 1 1  -23    2    9 o  392.306   13.832  1944.76  135.502  1922.85  189.775  1967.55  193.537  387.272   19.688  391.672   19.852 -4.399414 27.95961 
1 1 1  -23    2   10 o  222.943   11.432  627.428   63.430  633.157   87.146  620.973   92.501  222.879   15.759  220.366   16.939 2.512726 23.13622 
1 1 1  -23    2   11 o  328.851   12.733  1364.84  104.564  1310.68  145.420  1422.83  150.462  319.967   18.276  333.477   18.136 -13.50998 25.74722 
1 1 1  -23    2   12 o  107.927   13.875  149.695   36.529  131.163   47.813  175.676   56.614   99.476   19.942  115.396   20.392 -15.91986 28.52232 
1 1 1  -23    2   13 o  207.684   11.705  545.560   60.455  514.901   82.907  580.375   88.346  200.402   16.719  212.827   16.759 -12.42453 23.67245 
1 1 1  -23    2   14 o  295.462   12.114  1102.15   89.381  1066.79  124.760  1139.44  128.113  288.511   17.398  298.260   17.275 -9.748840 24.51750 
1 1 1  -23    2   15 o   79.482   22.488   84.371   46.640  188.679  122.272   66.610   50.454  116.337   37.226   72.607   23.963 43.72987 44.27176 
1 1 1  -23    2   16 o  452.657   23.087  2680.31  260.097  2760.00  384.595  2613.14  353.087  446.823   34.741  437.275   32.569 9.548157 47.62015 
1 1 1  -23    2   17 o  154.429   11.983  303.388   45.850  329.684   62.794  273.359   67.102  159.924   15.936  144.479   19.064 15.44530 24.84760 
1 1 1  -23    2   18 o  114.240   13.231  167.815   37.045  159.126   49.692  178.686   55.582  109.624   18.831  115.960   19.912 -6.335999 27.40564 
1 1 1  -23    2   19 o   90.283   14.664  106.540   31.926  118.001   41.629   90.171   49.750   94.086   18.378   81.553   23.279 12.53230 29.65906 
1 1 1  -23    2   20 o  280.192   12.158  996.620   85.071  988.585  119.763  1004.80  120.860  276.172   17.456  278.426   17.471 -2.254364 24.69714 
1 1 1  -23    2   21 o  188.323   12.550  453.223   58.681  472.801   81.912  432.582   84.107  190.386   17.422  181.390   18.843 8.995804 25.66311 
1 1 1  -23    2   22 o  122.890   12.369  194.174   37.443  178.207   50.325  213.971   56.038  115.840   17.980  127.060   18.180 -11.22050 25.56914 
1 1 1  -23    2   23 o  143.997   41.886  335.844  159.677   0.0000   0.0000  335.844  159.677  ?   ?   143.997   41.886 0.000000 41.88646 
1 1 1  -23    2   25 o  187.855   38.990  557.299  176.917   0.0000   0.0000  557.299  176.917  ?   ?   187.855   38.990 0.000000 38.99000 
1 1 1  -23    2   26 o  103.474   40.005  157.362  146.908   0.0000   0.0000  157.362  146.908  ?   ?   103.474   40.005 0.000000 40.00472 
1 1 1  -23    2   27 o  126.914   42.807  279.906  160.861   0.0000   0.0000  279.906  160.861  ?   ?   126.914   42.807 0.000000 42.80729 
1 1 1  -23    2   28 f   87.923   37.965   69.801  152.254   0.0000   0.0000   69.801  152.254  ?   ?    87.923   37.965 0.000000 37.96491 
1 1 1  -23    3    1 o  290.555   12.184  1064.25   88.405  1079.55  121.259  1046.89  129.163  290.945   16.761  285.968   18.182 4.976410 24.72840 
1 1 1  -23    3    2 o  115.548   13.848  171.061   39.162  169.755   51.304  172.883   60.623  113.953   18.676  114.121   22.071 -0.1679916 28.91252 
1 1 1  -23    3    3 o  241.784   11.701  736.228   70.651  707.947   96.429  769.004  103.809  235.555   16.497  245.374   17.047 -9.818649 23.72294 
1 1 1  -23    3    4 o  269.102   12.275  912.712   82.487  951.334  114.011  870.290  119.490  273.138   16.797  260.625   18.479 12.51306 24.97235 
1 1 1  -23    3    5 o  398.614   14.830  2011.19  147.623  2133.40  206.915  1884.49  210.675  408.136   20.302  382.086   22.176 26.05075 30.06528 
1 1 1  -23    3    6 f  295.036   12.568  1097.60   92.599  1104.92  128.936  1089.80  133.072  294.131   17.636  291.835   18.353 2.295990 25.45326 
1 1 1  -23    3    7 o  320.222   12.969  1293.91  103.707  1286.10  143.914  1302.33  149.577  317.139   18.249  318.883   18.868 -1.743652 26.24913 
1 1 1  -23    3    8 o  162.078   12.128  332.870   48.733  396.061   66.164  257.938   72.048  176.188   15.187  140.292   21.229 35.89645 26.10195 
1 1 1  -23    3    9 o  168.948   11.643  361.185   48.823  355.387   65.824  368.276   72.793  166.599   16.019  169.227   17.477 -2.627792 23.70816 
1 1 1  -23    3   10 o  229.417   11.756  664.883   67.125  642.368   91.917  690.612   98.259  224.217   16.533  232.362   17.053 -8.144180 23.75175 
1 1 1  -23    3   11 o  230.335   12.047  670.784   69.051  671.240   95.190  670.277  100.317  229.093   16.755  228.611   17.710 0.4814606 24.38035 
1 1 1  -23    3   12 o  185.157   11.636  433.820   53.529  429.257   72.991  439.129   78.739  183.065   16.132  184.841   17.258 -1.776581 23.62353 
1 1 1  -23    3   13 o  158.517   11.605  318.504   45.618  256.743   60.715  398.567   69.128  140.761   17.662  176.360   15.866 -35.59883 23.74188 
1 1 1  -23    3   14 o  193.673   11.581  474.829   55.752  455.055   75.848  498.071   82.229  188.325   16.289  196.892   16.888 -8.566650 23.46299 
1 1 1  -23    3   15 o  194.676   17.465  488.513   84.000  548.837  154.659  463.272  100.042  199.561   32.125  187.950   21.715 11.61087 38.77577 
1 1 1  -23    3   16 o  317.550   19.435  1304.30  153.375  1201.92  237.189  1377.87  201.070  295.689   32.668  322.714   25.149 -27.02524 41.22705 
1 1 1  -23    3   17 o  236.679   12.624  711.537   74.344  749.026  103.824  672.088  106.503  241.053   17.364  227.609   18.909 13.44458 25.67240 
1 1 1  -23    3   18 o  166.068   12.155  351.092   50.058  368.158   69.193  332.352   72.509  168.697   16.642  159.531   18.547 9.166260 24.91873 
1 1 1  -23    3   19 o  206.799   11.621  543.158   59.772  534.742   82.491  552.460   86.729  203.510   16.370  206.628   16.958 -3.118607 23.57026 
1 1 1  -23    3   20 o  182.037   11.802  421.922   53.359  393.123   73.132  454.709   78.029  173.858   17.064  187.166   16.876 -13.30797 24.00009 
1 1 1  -23    3   21 o  121.882   12.534  190.887   37.605  160.826   49.803  230.757   57.355  109.793   18.843  132.377   17.802 -22.58397 25.92230 
1 1 1  -23    3   22 o  140.677   12.464  253.951   43.332  247.434   59.681  261.216   63.015  136.936   17.880  140.537   18.397 -3.600876 25.65446 
1 1 1  -23    3   23 o  178.754   17.076  418.486   75.299  401.975   82.676  498.817  182.361  174.030   19.352  176.721   41.951 -2.690796 46.19916 
1 1 1  -23    3   24 f  107.019   40.595  166.348  149.369   0.0000   0.0000  166.348  149.369  ?   ?   107.019   40.595 0.000000 40.59461 
1 1 1  -23    3   25 o  139.699   41.961  324.418  158.156   0.0000   0.0000  324.418  158.156  ?   ?   139.699   41.961 0.000000 41.96096 
1 1 1  -23    3   26 o   95.247   38.887  110.284  146.336   0.0000   0.0000  110.284  146.336  ?   ?    95.247   38.887 0.000000 38.88747 
1 1 1  -23    3   27 o   71.383   33.412 -73.6962  148.867   0.0000   0.0000 -73.6962  148.867  ?   ?    71.383   33.412 0.000000 33.41220 
1 1 1  -23    3   28 o   87.146   38.292   52.612  160.712   0.0000   0.0000   52.612  160.712  ?   ?    87.146   38.292 0.000000 38.29213 
1 1 1  -23    3   29 o  124.597   43.646  285.310  167.683   0.0000   0.0000  285.310  167.683  ?   ?   124.597   43.646 0.000000 43.64570 
1 1 1  -23    4    1 o  195.517   11.683  483.473   56.781  502.731   75.913  459.017   85.547  198.458   15.439  188.710   18.387 9.747559 24.00956 
1 1 1  -23    4    2 o  241.921   12.001  737.887   72.503  764.032   98.576  707.076  107.013  244.686   16.225  234.617   18.413 10.06950 24.54169 
1 1 1  -23    4    3 o  156.823   12.205  311.939   47.422  290.223   62.455  341.504   72.874  150.128   16.956  162.632   18.259 -12.50371 24.91819 
1 1 1  -23    4    4 o  189.171   11.935  452.754   56.092  490.995   75.837  406.563   83.347  196.139   15.613  177.369   19.120 18.77037 24.68423 
1 1 1  -23    4    5 o  318.358   13.356  1280.30  106.184  1338.65  146.831  1216.32  153.740  323.433   18.254  307.442   20.136 15.99103 27.17872 
1 1 1  -23    4    6 o  236.305   11.324  703.081   66.821  674.025   90.723  737.534   98.790  229.921   15.899  240.348   16.561 -10.42732 22.95699 
1 1 1  -23    4    7 o  146.988   12.270  274.278   44.628  295.617   59.436  246.700   67.569  151.820   15.914  137.352   20.313 14.46704 25.80406 
1 1 1  -23    4    8 o  222.094   12.244  623.852   67.646  641.573   93.041  603.979   98.526  224.005   16.754  216.792   18.372 7.213272 24.86432 
1 1 1  -23    4    9 o  106.662   13.972  146.274   36.321  131.467   46.888  168.490   57.432   99.719   19.528  112.778   21.171 -13.05812 28.80173 
1 1 1  -23    4   10 o  274.425   12.181  949.942   83.476  955.970  115.576  943.367  120.697  273.485   17.007  271.327   17.915 2.158234 24.70188 
1 1 1  -23    4   11 o  277.953   12.740  975.749   88.429  1002.03  122.772  947.419  127.474  279.687   17.669  271.423   18.926 8.263397 25.89165 
1 1 1  -23    4   12 o  249.942   12.215  788.534   76.240  803.763  105.469  771.867  110.334  250.556   16.956  245.067   18.158 5.488495 24.84438 
1 1 1  -23    4   13 o  239.352   11.857  722.959   70.868  696.483   97.295  752.880  103.433  233.117   16.826  242.275   17.208 -9.157379 24.06759 
1 1 1  -23    4   14 o  323.682   19.268  1350.99  155.036  1278.87  236.015  1405.73  205.622  307.182   31.201  326.432   25.425 -19.25021 40.24828 
1 1 1  -23    4   15 o  122.596   20.139  198.509   59.512  210.989  125.702  194.903   67.563  121.853   37.575  120.429   23.309 1.423805 44.21713 
1 1 1  -23    4   16 o   87.158   22.093  102.601   48.150  127.222  121.847   98.045   52.417  100.979   36.981   85.206   23.747 15.77315 43.94935 
1 1 1  -23    4   17 o   87.329   15.394  100.002   32.344   80.500   41.331  130.813   51.950   77.414   20.894   98.448   21.715 -21.03419 30.13468 
1 1 1  -23    4   18 o  338.734   14.198  1461.20  120.100  1502.94  168.673  1418.29  171.044  339.794   19.966  329.415   20.901 10.37857 28.90503 
1 1 1  -23    4   19 o  189.765   11.985  458.175   56.502  427.061   77.827  492.851   82.161  181.311   17.403  195.033   17.041 -13.72183 24.35675 
1 1 1  -23    4   20 o  125.670   13.112  203.071   40.541  207.135   54.306  197.955   60.932  125.446   17.838  121.492   20.834 3.954025 27.42712 
1 1 1  -23    4   21 o  102.841   13.566  137.170   33.990  121.946   44.221  159.152   53.136   95.160   19.270  108.671   20.328 -13.51131 28.00973 
1 1 1  -23    4   22 o  220.722   13.224  624.219   72.554  566.397  108.132  671.569   97.851  206.064   21.322  226.894   17.403 -20.83003 27.52234 
1 1 1  -23    4   23 o  164.382   12.880  347.126   52.447  320.707   73.723  374.196   74.627  155.223   19.446  168.530   18.011 -13.30641 26.50580 
1 1 1  -23    4   24 o  227.949   17.690  682.224   99.908  677.083  116.430  696.583  194.568  224.888   20.974  213.184   37.939 11.70383 43.35046 
1 1 1  -23    4   25 o  104.325   40.933  153.009  155.574   0.0000   0.0000  153.009  155.574  ?   ?   104.325   40.933 0.000000 40.93297 
1 1 1  -23    4   26 o   84.621   36.843   40.804  145.780   0.0000   0.0000   40.804  145.780  ?   ?    84.621   36.843 0.000000 36.84294 
1 1 1  -23    4   27 o  226.323   39.909  823.175  217.310   0.0000   0.0000  823.175  217.310  ?   ?   226.323   39.909 0.000000 39.90879 
1 1 1  -23    4   28 f  127.374   44.561  292.239  174.766   0.0000   0.0000  292.239  174.766  ?   ?   127.374   44.561 0.000000 44.56131 
1 1 1  -23    4   29 o  126.400   45.610  301.269  184.357   0.0000   0.0000  301.269  184.357  ?   ?   126.400   45.610 0.000000 45.61045 
1 1 1  -23    5    1 o  194.084   11.889  477.024   57.345  482.367   76.500  470.170   86.640  194.105   15.923  190.830   18.410 3.274887 24.34014 
1 1 1  -23    5    2 o  120.311   13.755  185.501   40.584  195.578   53.314  171.617   62.582  122.520   17.958  113.226   22.920 9.293762 29.11753 
1 1 1  -23    5    3 o  292.627   12.037  1080.26   87.960  1025.24  119.755  1144.72  129.618  283.153   17.015  299.078   17.431 -15.92474 24.35891 
1 1 1  -23    5    4 o  140.530   12.618  251.283   43.808  259.273   57.607  240.325   67.463  141.827   16.578  135.323   20.615 6.503235 26.45407 
1 1 1  -23    5    5 o  376.718   13.843  1795.69  130.223  1910.51  182.073  1675.44  186.328  386.390   18.870  360.363   20.794 26.02661 28.07952 
1 1 1  -23    5    6 o  249.274   12.102  783.760   75.332  835.760  102.679  723.142  110.862  255.925   16.149  237.036   18.886 18.88895 24.84893 
1 1 1  -23    5    7 o  289.777   12.537  1059.96   90.724  1161.71  125.832  949.807  130.926  301.639   16.771  271.612   19.431 30.02777 25.66836 
1 1 1  -23    5    8 o  133.298   12.713  226.336   41.805  216.896   55.024  239.224   64.293  129.323   17.487  135.320   19.597 -5.996780 26.26443 
1 1 1  -23    5    9 o  190.710   11.753  460.267   55.701  434.505   75.518  491.003   82.488  184.043   16.611  195.591   17.059 -11.54819 23.81049 
1 1 1  -23    5   10 o  264.044   12.694  880.678   83.699  901.875  115.231  857.004  121.776  265.293   17.492  257.973   19.038 7.320953 25.85357 
1 1 1  -23    5   11 o  221.264   12.478  620.235   68.663  657.285   94.628  579.036   99.786  226.478   16.853  211.720   19.079 14.75832 25.45582 
1 1 1  -23    5   12 o  271.420   12.376  930.578   83.879  927.268  115.758  934.239  121.713  268.930   17.329  269.589   18.186 -0.6590576 25.12008 
1 1 1  -23    5   13 o  278.823   18.034  999.408  124.896  1017.43  197.885  987.478  161.019  275.081   29.256  274.298   23.741 0.7829285 37.67743 
1 1 1  -23    5   14 o  177.748   17.189  407.513   75.345  585.595  143.897  340.249   88.437  208.247   28.412  160.333   22.724 47.91360 36.38206 
1 1 1  -23    5   15 o  296.090   18.291  1129.94  134.581  1164.85  210.568  1105.83  174.986  293.845   29.078  289.402   24.442 4.442169 37.98581 
1 1 1  -23    5   16 o  108.618   13.818  152.114   36.631  154.768   48.031  148.424   56.635  108.320   18.416  104.889   22.309 3.431335 28.92785 
1 1 1  -23    5   17 o  155.759   12.155  308.958   46.905  308.889   63.360  309.042   69.769  154.424   16.696  153.833   18.535 0.5903015 24.94629 
1 1 1  -23    5   18 o  324.640   14.383  1343.39  116.604  1459.04  163.730  1224.36  166.103  334.855   19.667  305.140   21.945 29.71487 29.46806 
1 1 1  -23    5   19 o  143.305   12.350  262.445   43.765  242.151   58.511  288.220   65.939  135.987   17.646  148.334   18.182 -12.34677 25.33711 
1 1 1  -23    5   20 o   74.589   16.269   74.183   29.449   76.414   38.004   70.830   46.589   75.188   19.922   73.092   22.931 2.096031 30.37626 
1 1 1  -23    5   21 o   57.013   21.426   33.732   41.383   59.553  150.569   31.622   43.040   90.861   38.450   56.837   21.736 34.02382 44.16793 
1 1 1  -23    5   22 o  190.760   15.846  472.180   74.799  472.180   74.799   0.0000   0.0000  190.760   15.846  ?   ?  0.000000 15.84555 
1 1 1  -23    5   23 o  357.152   15.510  1646.07  138.330  1446.95  220.860  1774.59  177.445  322.828   27.664  367.032   19.429 -44.20432 33.80507 
1 1 1  -23    5   24 o  138.349   16.590  251.747   56.174  223.756   59.750  464.801  164.844  129.284   19.081  172.065   39.235 -42.78073 43.62856 
1 1 1  -23    5   25 o  223.782   17.629  658.867   97.719  642.999  112.459  707.779  197.439  218.890   20.825  213.474   38.451 5.415649 43.72857 
1 1 1  -23    5   26 o   91.808   39.475   71.382  163.217   0.0000   0.0000   71.382  163.217  ?   ?    91.808   39.475 0.000000 39.47469 
1 1 1  -23    5   27 o  150.771   44.128  396.495  176.739   0.0000   0.0000  396.495  176.739  ?   ?   150.771   44.128 0.000000 44.12810 
1 1 1  -23    5   28 o  112.853   43.173  212.860  169.850   0.0000   0.0000  212.860  169.850  ?   ?   112.853   43.173 0.000000 43.17319 
1 1 1  -23    5   29 o  163.460   46.871  501.402  201.231   0.0000   0.0000  501.402  201.231  ?   ?   163.460   46.871 0.000000 46.87065 
1 1 1  -23    6    1 f  221.725   11.948  622.713   65.913  614.994   88.459  632.348   98.830  219.011   16.291  221.453   18.028 -2.441986 24.29799 
1 1 1  -23    6    2 f  298.904   12.596  1129.57   94.020  1150.28  128.853  1105.99  137.497  299.524   17.301  292.947   18.896 6.577393 25.61996 
1 1 1  -23    6    3 o  396.547   13.972  1993.11  138.359  2054.67  191.921  1926.49  199.648  399.977   19.215  385.884   20.795 14.09277 28.31340 
1 1 1  -23    6    4 f  156.601   12.501  311.742   48.480  354.428   64.524  256.407   73.465  166.223   15.732  139.309   21.835 26.91402 26.91226 
1 1 1  -23    6    5 f  200.066   11.815  506.719   58.768  528.346   78.995  479.914   87.943  203.263   15.684  192.771   18.496 10.49199 24.25056 
1 1 1  -23    6    6 o  126.316   13.756  204.316   42.690  223.633   55.884  177.250   66.151  131.268   17.483  114.796   23.855 16.47155 29.57551 
1 1 1  -23    6    7 o  104.753   14.749  141.819   37.514  187.171   48.768   76.092   58.709  120.114   16.712   77.672   25.859 42.44277 30.78942 
1 1 1  -23    6    8 o  208.762   12.488  552.404   64.805  590.896   88.108  507.035   95.654  214.751   16.557  197.797   19.625 16.95364 25.67640 
1 1 1  -23    6    9 o  113.352   14.247  165.317   39.436  150.019   51.478  187.048   61.356  106.386   20.114  118.686   21.493 -12.29971 29.43667 
1 1 1  -23    6   10 o  169.860   11.732  365.728   49.457  383.679   66.067  342.844   74.593  173.070   15.449  162.552   18.718 10.51755 24.27014 
1 1 1  -23    6   11 f  170.050   12.213  367.080   51.518  388.230   69.069  340.557   77.346  173.884   16.089  161.684   19.554 12.19965 25.32212 
1 1 1  -23    6   12 o  292.950   18.458  1104.79  134.341  1043.58  206.913  1149.40  176.633  277.759   30.324  295.732   24.128 -17.97321 38.75185 
1 1 1  -23    6   13 o  236.577   17.699  720.591  103.803  659.397  169.009  757.657  131.536  219.122   31.817  240.611   22.140 -21.48933 38.76200 
1 1 1  -23    6   14 o   76.970   23.664   78.063   49.899   75.625  117.401   78.601   55.126   89.330   35.396   77.794   25.006 11.53588 43.33766 
1 1 1  -23    6   15 o  140.412   13.320  252.192   46.144  264.947   62.186  236.565   68.834  142.643   17.849  133.491   21.370 9.151291 27.84326 
1 1 1  -23    6   16 o  197.542   12.207  495.823   59.921  485.470   81.585  507.949   88.293  193.891   17.022  197.956   18.060 -4.064896 24.81771 
1 1 1  -23    6   17 o  164.439   12.386  344.561   50.486  355.487   68.176  331.295   75.125  165.706   16.704  158.964   19.322 6.742416 25.54141 
1 1 1  -23    6   18 o   86.442   15.545   98.338   32.323   90.634   41.542  110.159   51.455   81.890   20.392   89.834   22.876 -7.944160 30.64540 
1 1 1  -23    6   19 f  145.315   12.787  270.363   45.929  281.300   62.007  257.067   68.365  146.807   17.242  139.117   20.275 7.689529 26.61536 
1 1 1  -23    6   20 o  205.710   12.068  539.143   61.724  532.673   84.787  546.437   90.029  202.538   16.919  204.746   17.785 -2.208344 24.54695 
1 1 1  -23    6   21 o   74.914   16.852   75.239   30.762   91.081   39.299   50.173   49.432   81.937   19.490   65.394   23.615 16.54353 30.61896 
1 1 1  -23    6   22 o  238.649   11.707  724.044   69.768  638.398   95.898  820.348  101.690  221.057   17.515  251.470   16.281 -30.41267 23.91363 
1 1 1  -23    6   23 o  292.742   14.884  1105.87  108.446  1070.75  170.452  1129.75  140.564  280.369   24.594  292.670   19.342 -12.30167 31.28877 
1 1 1  -23    6   24 o   96.553   18.830  126.121   43.770  130.466   45.646   76.489  154.260   98.061   19.328   92.272   38.975 5.789299 43.50426 
1 1 1  -23    6   25 o  183.039   17.455  441.473   78.818  448.104   87.838  414.068  178.559  183.260   19.493  156.660   43.889 26.60068 48.02344 
1 1 1  -23    6   26 o  126.152   17.594  212.052   53.917  209.017   56.989  237.959  166.479  124.649   18.901  119.828   43.327 4.820862 47.27005 
1 1 1  -23    6   27 o   51.814   18.769   30.809   31.262   31.048   31.837   24.354  165.138   52.115   18.931   85.503   38.126 -33.38799 42.56780 
1 1 1  -23    6   28 o  166.280   44.830  489.829  190.389   0.0000   0.0000  489.829  190.389  ?   ?   166.280   44.830 0.000000 44.83002 
1 1 1  -23    6   29 o   93.495   40.115   97.495  167.914   0.0000   0.0000   97.495  167.914  ?   ?    93.495   40.115 0.000000 40.11470 
1 1 1  -23    7    1 o  220.710   13.073  619.595   71.730  636.367   89.481  589.438  119.986  222.604   16.208  211.196   23.129 11.40770 28.24267 
1 1 1  -23    7    2 o  210.148   11.954  559.981   62.472  542.410   82.762  583.252   95.246  205.482   16.262  212.413   18.130 -6.931305 24.35441 
1 1 1  -23    7    3 o  125.395   13.488  201.530   41.570  203.323   53.538  198.808   65.967  124.839   17.667  121.890   22.501 2.949188 28.60825 
1 1 1  -23    7    4 o  258.739   12.439  846.597   80.369  821.044  108.898  877.164  119.103  252.744   17.359  260.821   18.405 -8.077164 25.29961 
1 1 1  -23    7    5 o  162.758   12.243  336.617   49.396  344.768   65.300  325.715   75.521  163.682   16.188  157.980   19.562 5.702682 25.39100 
1 1 1  -23    7    6 o  179.273   12.144  407.854   54.046  417.615   71.637  394.958   82.342  180.342   16.076  174.307   19.238 6.035217 25.07024 
1 1 1  -23    7    7 o   85.155   16.780   95.629   34.414   76.859   43.313  127.766   56.675   76.028   21.728   97.153   23.595 -21.12525 32.07536 
1 1 1  -23    7    8 o  203.562   11.912  525.019   60.291  539.694   81.065  506.852   90.192  205.236   15.942  197.998   18.454 7.237747 24.38661 
1 1 1  -23    7    9 o  191.830   13.126  467.952   62.502  475.072   79.313  456.285  101.526  192.232   16.688  186.306   22.263 5.925735 27.82331 
1 1 1  -23    7   10 o  251.753   16.678  812.651  104.256  1059.37  169.329  662.023  132.307  283.721   24.129  223.931   24.036 59.79047 34.05766 
1 1 1  -23    7   11 o  200.809   16.707  518.462   83.017  746.850  147.443  412.452  100.453  237.219   25.279  176.465   23.371 60.75426 34.42713 
1 1 1  -23    7   12 o  121.312   21.430  195.898   62.545  135.320  131.954  213.452   71.031  104.241   38.438  126.069   23.425 -21.82748 45.01320 
1 1 1  -23    7   13 o  141.725   19.121  262.960   65.944  300.130  127.763  249.462   76.993  144.621   35.613  136.452   23.440 8.168945 42.63495 
1 1 1  -23    7   14 o  175.543   12.290  391.825   53.535  406.109   72.438  374.632   79.469  177.460   16.537  169.482   19.110 7.977173 25.27196 
1 1 1  -23    7   15 o  277.989   12.284  978.531   85.277  1001.92  117.777  952.755  123.637  279.053   16.982  271.426   18.349 7.627991 25.00142 
1 1 1  -23    7   16 o  159.140   12.672  323.105   49.940  306.702   67.087  343.492   74.792  153.425   17.843  162.106   18.827 -8.680603 25.93895 
1 1 1  -23    7   17 o  153.942   12.757  302.775   48.599  317.114   65.332  285.009   72.718  156.225   17.022  146.776   20.391 9.449677 26.56172 
1 1 1  -23    7   18 o  130.064   12.910  217.003   41.377  239.234   54.797  187.513   63.113  135.525   16.534  117.763   22.278 17.76206 27.74287 
1 1 1  -23    7   19 o  175.808   12.128  394.154   52.918  389.769   71.735  399.389   78.379  173.184   16.798  174.730   18.232 -1.546082 24.79079 
1 1 1  -23    7   20 o  162.186   19.095  346.905   75.856   0.0000   0.0000  346.905   75.856  ?   ?   162.186   19.095 0.000000 19.09536 
1 1 1  -23    7   21 o   39.787   16.173   9.0404   25.172  -4.5562   28.583   56.018   53.130   37.180   16.247   68.297   24.504 -31.11681 29.40075 
1 1 1  -23    7   22 o  149.449   12.416  286.503   45.915  266.747   61.271  311.807   69.344  142.267   17.624  153.592   18.449 -11.32494 25.51372 
1 1 1  -23    7   23 o  277.905   14.292  994.719   98.845  921.365  152.951  1047.32  129.527  260.545   23.770  282.324   18.474 -21.77914 30.10482 
1 1 1  -23    7   24 o  111.219   18.763  166.280   50.258  182.856   53.300   33.393  150.917  116.670   18.944   85.468   37.341 31.20225 41.87192 
1 1 1  -23    7   25 o   75.061   19.485   77.222   36.842   74.530   37.856  125.466  160.254   73.714   20.039  100.039   40.752 -26.32519 45.41267 
1 1 1  -23    7   26 o   93.706   19.190  119.855   43.395  126.890   45.021   27.755  162.897   96.411   19.372   86.062   38.150 10.34878 42.78637 
1 1 1  -23    7   27 f   57.572   19.129   42.625   32.133   45.714   32.760 -35.7644  165.022   59.186   19.298   78.860   36.309 -19.67446 41.11883 
1 1 1  -23    7   28 o  147.876   16.960  290.526   61.496  255.602   64.841  603.016  193.960  137.321   19.453  189.209   42.132 -51.88802 46.40633 
1 1 1  -23    7   29 o   85.171   38.210   30.088  168.581   0.0000   0.0000   30.088  168.581  ?   ?    85.171   38.210 0.000000 38.21012 
1 1 1  -23    7   30 o  125.621   47.223  314.070  201.058   0.0000   0.0000  314.070  201.058  ?   ?   125.621   47.223 0.000000 47.22298 
1 1 1  -23    8    1 o  373.457   19.815  1813.71  184.134  2090.84  272.532  1580.95  249.766  393.513   27.915  340.301   29.689 53.21152 40.75109 
1 1 1  -23    8    2 o  358.304   19.776  1667.50  176.257  1694.39  257.934  1643.94  241.416  352.988   29.533  349.171   27.921 3.816986 40.64174 
1 1 1  -23    8    3 o  110.321   21.819  163.596   57.981  189.271  105.836  152.586   69.307  115.427   34.248  105.208   26.418 10.21842 43.25291 
1 1 1  -23    8    4 o  118.466   20.955  186.969   59.725  177.386  106.354  191.383   72.181  112.234   34.554  118.450   25.178 -6.215530 42.75451 
1 1 1  -23    8    5 o   91.483   24.075  113.828   55.745  145.396  108.316  102.454   65.016  103.816   35.126   87.416   27.034 16.39982 44.32500 
1 1 1  -23    8    6 o  191.845   17.097  474.786   81.051  549.491  133.933  431.619  101.809  201.819   27.274  180.468   23.123 21.35071 35.75634 
1 1 1  -23    8    7 o  299.427   17.857  1154.36  132.916  1271.77  201.153  1063.36  177.083  309.013   26.318  283.068   25.319 25.94501 36.51973 
1 1 1  -23    8    8 o  122.797   19.905  199.186   58.947  264.096  110.638  173.457   69.657  136.695   32.825  112.721   25.360 23.97404 41.48045 
1 1 1  -23    8    9 o  122.512   20.514  198.924   60.539  273.835  118.595  172.525   70.403  138.560   34.427  112.317   25.662 26.24266 42.93959 
1 1 1  -23    8   10 o  186.666   17.400  450.184   80.175  480.951  137.792  434.436   98.580  186.877   30.585  181.459   22.219 5.418411 37.80403 
1 1 1  -23    8   11 o  139.225   17.964  252.701   60.999  327.885  125.684  229.534   69.767  151.924   33.980  131.200   22.078 20.72382 40.52251 
1 1 1  -23    8   12 o  111.293   14.316  159.961   38.863  173.979   51.249  140.993   59.617  114.964   18.477  101.758   23.873 13.20517 30.18818 
1 1 1  -23    8   13 o  174.543   12.204  387.457   52.858  413.817   71.172  355.034   78.935  179.242   16.072  164.683   19.578 14.55894 25.32952 
1 1 1  -23    8   14 o  151.686   12.610  293.569   47.332  276.540   62.563  316.362   72.380  145.736   17.543  155.465   19.042 -9.728729 25.89130 
1 1 1  -23    8   15 o  125.353   13.094  201.575   40.384  198.673   53.055  205.573   62.266  123.085   17.777  124.206   20.811 -1.121643 27.36993 
1 1 1  -23    8   16 o  153.271   12.703  300.127   48.184  295.801   64.463  305.605   72.532  150.662   17.457  152.402   19.506 -1.739990 26.17727 
1 1 1  -23    8   17 o  141.037   12.756  254.654   44.441  254.252   59.067  255.179   67.465  139.502   17.329  138.751   20.053 0.7505646 26.50288 
1 1 1  -23    8   18 o  215.075   12.665  589.935   67.721  594.823   92.825  584.373   99.018  213.946   17.528  211.348   18.963 2.598007 25.82335 
1 1 1  -23    8   19 o  134.412   19.023  239.236   62.067  304.670  150.260  225.775   68.153  140.370   40.575  129.357   21.878 11.01329 46.09790 
1 1 1  -23    8   20 o  143.093   17.285  268.558   60.512  268.558   60.512   0.0000   0.0000  143.093   17.285  ?   ?  0.000000 17.28461 
1 1 1  -23    8   21 o  170.592   12.692  372.970   53.681  397.252   72.719  343.895   79.576  174.393   16.911  160.605   20.294 13.78792 26.41651 
1 1 1  -23    8   22 o   82.753   15.853   91.153   31.567   81.500   39.706  107.735   52.039   77.213   20.318   88.043   23.304 -10.83015 30.91760 
1 1 1  -23    8   23 o  318.872   14.862  1310.28  118.341  1193.76  185.248  1390.61  153.819  294.911   25.402  324.811   19.047 -29.89957 31.75005 
1 1 1  -23    8   24 o   87.030   19.636  103.632   41.661  100.310   43.248  146.425  155.220   85.349   20.540  103.501   40.798 -18.15098 45.67663 
1 1 1  -23    8   25 o   48.409   18.333   23.514   30.436   27.877   31.033 -86.6216  155.910   50.542   18.640   72.645   34.063 -22.10291 38.82998 
1 1 1  -23    8   26 o  106.711   18.702  154.011   48.021  157.923   50.004  107.587  172.256  107.848   19.274   97.891   41.258 9.957367 45.53851 
1 1 1  -23    8   27 o   39.077   16.263   6.1340   26.257   4.4728   26.567   76.036  172.340   38.652   16.242   92.894   40.251 -54.24156 43.40452 
1 1 1  -23    8   28 o   94.300   19.108  122.067   43.455  120.208   44.788  151.895  179.398   93.269   19.840  103.194   42.693 -9.925095 47.07761 
1 1 1  -23    8   29 o  136.106   17.751  248.939   58.896  238.640   61.867  348.490  192.344  132.408   19.277  134.745   46.771 -2.336731 50.58741 
1 1 1  -23    8   30 o  195.617   48.484  732.391  235.649   0.0000   0.0000  732.391  235.649  ?   ?   195.617   48.484 0.000000 48.48439 
1 1 1  -23    9    1 o  278.789   12.092  986.173   84.186  962.729  113.314  1015.05  125.773  273.027   16.700  279.565   18.113 -6.538239 24.63709 
1 1 1  -23    9    2 f  215.228   12.199  589.364   65.293  594.668   87.218  582.600   98.483  214.604   16.399  211.291   18.863 3.313416 24.99507 
1 1 1  -23    9    3 o  198.017   12.218  498.933   60.121  495.530   79.352  503.519   92.117  195.894   16.371  196.361   19.025 -0.4663391 25.09899 
1 1 1  -23    9    4 o  133.384   13.337  228.235   43.829  231.960   56.829  222.766   68.856  133.229   17.505  128.846   22.202 4.382904 28.27263 
1 1 1  -23    9    5 o  203.419   12.020  525.752   60.790  491.333   80.913  570.356   92.111  195.026   16.777  209.821   17.746 -14.79462 24.42131 
1 1 1  -23    9    6 o  222.068   12.110  626.245   66.899  638.332   89.578  611.001  100.597  222.743   16.216  216.820   18.765 5.923096 24.80050 
1 1 1  -23    9    7 f  105.766   15.139  145.416   38.843  174.448   50.169  101.964   61.376  115.172   18.036   86.826   26.153 28.34575 31.76912 
1 1 1  -23    9    8 o  184.516   11.994  432.657   54.966  427.863   73.005  438.932   83.518  182.183   16.217  183.708   18.455 -1.525421 24.56769 
1 1 1  -23    9    9 o  165.600   12.117  348.961   49.759  363.095   65.741  330.001   76.140  167.836   15.874  158.618   19.643 9.217941 25.25503 
1 1 1  -23    9   10 o  110.068   14.067  156.472   37.781  144.578   48.680  174.489   59.914  104.227   19.418  113.954   21.850 -9.726616 29.23127 
1 1 1  -23    9   11 o  224.392   11.854  638.913   66.187  620.778   89.411  660.898   98.445  219.568   16.426  226.101   17.574 -6.532822 24.05515 
1 1 1  -23    9   12 o   96.557   15.396  121.843   35.877  127.714   45.985  112.709   57.354   97.749   19.522   90.786   24.659 6.962891 31.45146 
1 1 1  -23    9   13 o  192.613   12.089  471.755   57.852  478.659   77.724  463.177   86.631  192.616   16.312  188.532   18.645 4.084122 24.77339 
1 1 1  -23    9   14 o   86.801   16.371   99.587   34.185   80.941   43.134  131.081   56.058   77.478   21.524   97.945   23.265 -20.46770 31.69419 
1 1 1  -23    9   15 o  189.998   12.283  459.727   57.966  473.921   78.170  442.387   86.400  191.437   16.513  183.848   19.098 7.588318 25.24721 
1 1 1  -23    9   16 o  165.544   12.244  349.586   50.259  355.960   67.261  341.528   75.625  165.659   16.478  161.187   19.164 4.471329 25.27382 
1 1 1  -23    9   17 o  158.614   12.139  321.162   47.716  293.517   63.356  357.394   72.531  149.925   17.236  165.360   17.848 -15.43465 24.81182 
1 1 1  -23    9   18 o  182.788   12.554  426.873   56.956  462.119   77.090  384.510   84.516  188.691   16.527  170.357   20.264 18.33371 26.14947 
1 1 1  -23    9   19 o  162.782   13.482  340.475   54.312  329.398   76.763  351.579   76.854  157.506   19.965  163.124   19.237 -5.617798 27.72439 
1 1 1  -23    9   20 o  238.054   12.825  724.676   75.957  700.397  103.966  752.472  111.241  231.317   18.144  239.434   18.755 -8.117386 26.09493 
1 1 1  -23    9   21 o  159.671   12.518  326.979   49.511  321.223   65.739  334.523   75.263  156.491   17.100  158.672   19.398 -2.181305 25.85977 
1 1 1  -23    9   22 o   44.089   16.734   18.738   25.393   16.000   30.445   24.995   46.028   45.441   18.019   55.474   22.105 -10.03218 28.51862 
1 1 1  -23    9   23 o  276.383   18.596  1006.58  127.598  970.320  153.631  1087.22  229.105  267.473   23.232  270.836   34.671 -3.362823 41.73455 
1 1 1  -23    9   24 o  106.385   18.738  152.640   47.961  144.116   50.154  243.797  164.010  102.696   20.276  121.969   43.127 -19.27222 47.65592 
1 1 1  -23    9   25 o  101.489   18.768  139.489   45.813  131.232   47.642  240.850  166.930   97.826   20.172  120.623   43.417 -22.79678 47.87473 
1 1 1  -23    9   26 o  205.090   17.929  557.009   90.902  553.232  101.693  572.023  202.774  202.749   20.361  182.742   44.784 20.00691 49.19518 
1 1 1  -23    9   27 o   74.103   19.891   75.900   37.580   78.176   38.480   28.935  174.776   75.145   20.110   87.332   39.062 -12.18670 43.93450 
1 1 1  -23    9   28 o   59.644   19.120   47.123   32.245   42.535   32.771  186.597  180.686   57.510   19.322  108.284   43.572 -50.77411 47.66413 
1 1 1  -23    9   29 o  110.586   19.160  167.506   50.995  180.659   52.941  -1.5767  189.815  114.961   19.112   84.940   39.046 30.02121 43.47271 
1 1 1  -23    9   30 o  165.507   18.504  370.509   75.170  383.026   80.457  284.550  210.839  167.544   19.601  119.825   47.448 47.71851 51.33731 
1 1 1  -23   10    1 o  160.462   12.463  329.555   49.548  299.035   64.074  374.952   78.146  151.097   17.293  168.682   18.875 -17.58461 25.59933 
1 1 1  -23   10    2 o  137.062   13.362  241.682   45.151  240.084   58.221  244.094   71.518  135.150   17.674  134.507   22.057 0.6427307 28.26473 
1 1 1  -23   10    3 o  234.373   11.967  698.933   69.804  679.137   92.859  724.653  105.846  229.188   16.332  235.866   18.109 -6.677414 24.38546 
1 1 1  -23   10    4 o  145.919   12.786  272.676   46.121  290.919   59.776  245.839   72.500  149.640   16.258  135.129   22.260 14.51027 27.56546 
1 1 1  -23   10    5 o  145.530   12.840  271.177   46.184  259.366   59.619  288.898   73.029  140.887   17.310  147.612   20.353 -6.725357 26.71869 
1 1 1  -23   10    6 o  146.920   12.902  276.311   46.856  295.500   61.047  248.797   73.100  150.843   16.474  136.093   22.281 14.75075 27.70979 
1 1 1  -23   10    7 o  127.954   13.625  210.636   42.866  233.562   55.688  177.299   67.153  133.749   17.062  113.736   24.377 20.01272 29.75461 
1 1 1  -23   10    8 o  139.587   13.065  249.671   45.013  266.463   58.784  225.869   69.988  143.105   16.767  129.543   22.448 13.56151 28.01915 
1 1 1  -23   10    9 o  126.343   13.495  205.258   41.919  183.395   54.475  236.997   65.638  117.602   19.213  133.610   20.312 -16.00834 27.95977 
1 1 1  -23   10   10 o   68.605   18.486   62.934   32.385   58.669   40.969   70.039   52.875   67.335   21.548   73.823   24.539 -6.487694 32.65740 
1 1 1  -23   10   11 o   83.499   16.844   92.629   33.911   79.004   43.052  114.899   55.042   76.564   21.586   91.546   23.841 -14.98275 32.16173 
1 1 1  -23   10   12 o   68.559   18.306   62.895   31.929   49.930   40.088   85.390   52.804   63.353   21.370   79.715   24.314 -16.36202 32.37026 
1 1 1  -23   10   13 o   90.957   16.184  109.131   35.412  137.239   45.663   66.724   56.088  101.494   18.706   73.090   25.263 28.40395 31.43439 
1 1 1  -23   10   14 o  202.697   11.992  522.887   60.433  512.977   81.043  535.300   90.700  199.119   16.446  202.695   18.110 -3.576004 24.46267 
1 1 1  -23   10   15 o  299.606   12.859  1141.84   96.207  1229.71  132.729  1044.56  139.649  308.185   17.317  282.326   19.936 25.85913 26.40663 
1 1 1  -23   10   16 o  200.627   12.200  513.116   60.832  496.450   81.514  534.065   91.390  195.520   16.860  202.160   18.302 -6.639618 24.88391 
1 1 1  -23   10   17 o   93.218   15.547  114.395   34.916  126.144   44.561   95.709   56.196   96.884   19.098   83.579   24.992 13.30402 31.45321 
1 1 1  -23   10   18 o   92.454   22.767  117.864   52.215  317.614  146.958   89.004   55.860  143.105   39.719   80.875   25.066 62.22956 46.96744 
1 1 1  -23   10   19 o  129.157   17.652  220.227   55.443  220.227   55.443   0.0000   0.0000  129.157   17.652  ?   ?  0.000000 17.65215 
1 1 1  -23   10   20 o  172.999   12.154  382.960   52.174  372.648   69.513  396.263   78.956  168.848   16.705  173.294   18.533 -4.445221 24.95046 
1 1 1  -23   10   21 o   83.480   16.103   92.957   32.353   94.899   40.825   89.679   53.047   83.311   19.897   80.642   24.319 2.668732 31.42163 
1 1 1  -23   10   22 o  154.480   13.080  307.479   49.983  256.637   68.637  364.879   72.930  137.916   20.558  166.273   17.843 -28.35750 27.22135 
1 1 1  -23   10   23 o  244.686   17.235  784.811  104.638  669.693  119.528  1162.46  216.491  222.834   21.758  283.963   31.035 -61.12907 37.90235 
1 1 1  -23   10   24 o  135.582   17.894  244.603   59.105  232.787   62.636  340.632  178.559  131.388   19.698  140.384   44.992 -8.996124 49.11513 
1 1 1  -23   10   25 o  116.499   18.583  182.689   52.246  184.464   54.822  165.128  172.456  116.665   19.506  106.749   42.704 9.916016 46.94842 
1 1 1  -23   10   26 o  255.113   18.724  865.262  118.452  843.345  137.644  927.829  232.560  248.637   22.410  240.507   40.136 8.130508 45.96869 
1 1 1  -23   10   27 o  132.581   18.150  235.966   58.513  239.070   61.677  208.019  185.064  132.969   19.125  112.506   44.484 20.46278 48.42109 
1 1 1  -23   10   28 o   94.829   19.090  123.627   43.642  115.397   44.784  278.815  194.480   91.096   20.215  122.793   46.382 -31.69670 50.59604 
1 1 1  -23   10   29 o   56.589   18.953   41.463   31.531   33.918   31.961  315.765  192.717   53.157   19.012  127.817   46.555 -74.66087 50.28708 
1 1 1  -23   10   30 o  130.569   18.848  232.782   59.675  242.671   62.260  121.086  209.250  133.092   19.296   98.261   43.413 34.83163 47.50791 
1 1 1  -23   11    1 o  136.844   13.260  241.662   44.743  240.724   57.577  243.091   71.091  134.999   17.490  133.611   22.078 1.387772 28.16642 
1 1 1  -23   11    2 o  259.490   12.367  858.106   80.135  859.315  107.001  856.561  120.930  257.024   16.763  255.084   19.124 1.939346 25.43048 
1 1 1  -23   11    3 o  187.090   12.292  447.427   57.107  435.073   74.701  464.801   88.587  182.773   16.546  187.670   19.172 -4.896530 25.32469 
1 1 1  -23   11    4 o  262.620   12.016  876.800   78.800  823.510  104.861  945.932  119.437  251.899   16.766  269.369   17.857 -17.47012 24.49424 
1 1 1  -23   11    5 o  141.730   13.596  258.663   47.530  282.429   61.694  223.956   74.553  146.894   17.141  127.670   24.272 19.22422 29.71384 
1 1 1  -23   11    6 o  215.593   12.165  592.404   65.224  585.622   86.573  601.307   99.192  212.584   16.436  214.284   18.725 -1.699738 24.91492 
1 1 1  -23   11    7 o  204.686   12.236  534.123   62.258  503.646   82.455  574.540   94.953  196.892   16.935  209.707   18.316 -12.81476 24.94517 
1 1 1  -23   11    8 o  197.309   12.082  496.083   59.243  506.570   78.434  482.153   90.399  197.908   16.008  191.638   19.146 6.270233 24.95647 
1 1 1  -23   11    9 o  211.820   12.339  571.881   64.986  573.420   86.825  569.921   97.994  210.362   16.665  208.579   19.023 1.782425 25.29011 
1 1 1  -23   11   10 o  177.286   12.213  400.962   53.738  369.823   70.882  443.050   82.407  168.519   17.080  184.118   18.160 -15.59883 24.92966 
1 1 1  -23   11   11 o  154.814   12.670  306.713   48.551  319.913   63.467  288.090   75.385  156.860   16.447  146.882   21.163 9.977615 26.80307 
1 1 1  -23   11   12 o  149.975   12.528  287.842   46.489  263.379   60.717  322.504   72.273  141.770   17.523  156.518   18.872 -14.74753 25.75291 
1 1 1  -23   11   13 o  280.038   12.418  996.988   86.842  984.261  117.554  1012.28  128.849  275.534   17.170  278.537   18.632 -3.002808 25.33703 
1 1 1  -23   11   14 o  214.071   12.399  584.585   65.997  632.851   89.864  528.070   97.240  221.043   16.397  200.208   19.705 20.83536 25.63501 
1 1 1  -23   11   15 o  145.932   13.152  273.600   47.413  315.267   62.362  216.520   72.990  155.621   16.289  125.519   24.163 30.10252 29.14081 
1 1 1  -23   11   16 o  190.015   12.080  460.852   57.024  462.059   76.428  459.335   85.647  188.561   16.394  186.971   18.590 1.590652 24.78647 
1 1 1  -23   11   17 o  143.908   13.074  266.325   46.471  237.413   60.526  307.845   72.532  133.814   18.617  152.245   19.528 -18.43127 26.98078 
1 1 1  -23   11   18 o  162.359   13.040  338.635   52.424  338.373   68.628  339.001   81.234  160.579   17.392  159.039   20.965 1.539200 27.24028 
1 1 1  -23   11   19 o  120.475   14.332  188.744   42.271  207.678   55.035  161.503   66.013  125.031   18.157  107.247   25.094 17.78390 30.97414 
1 1 1  -23   11   20 o  194.373   12.119  483.388   58.532  488.800   78.429  476.583   87.938  193.564   16.379  189.842   18.797 3.722473 24.93184 
1 1 1  -23   11   21 o   79.537   17.285   85.373   33.350   64.454   42.500  118.894   53.800   69.393   21.920   92.217   23.342 -22.82397 32.02044 
1 1 1  -23   11   22 o  180.557   18.009  430.790   80.117  447.294   89.160  361.592  182.567  182.969   19.831  144.990   45.378 37.97905 49.52209 
1 1 1  -23   11   23 o  157.299   17.456  327.130   67.413  311.034   72.726  425.388  179.681  152.273   19.579  158.569   43.887 -6.296280 48.05607 
1 1 1  -23   11   24 o  170.307   17.826  384.336   74.689  381.656   81.386  398.642  188.016  168.659   19.694  150.482   45.875 18.17686 49.92402 
1 1 1  -23   11   25 o  144.509   18.628  279.684   65.656  302.679   70.095  115.200  187.472  150.141   19.130  100.237   42.680 49.90386 46.77110 
1 1 1  -23   11   26 o  127.855   18.366  219.778   56.955  215.735   59.860  258.433  185.083  126.024   19.663  121.498   45.379 4.526070 49.45628 
1 1 1  -23   11   27 o   86.783   20.234  104.726   43.042  110.482   44.259   4.4036  184.771   89.138   20.333   85.702   39.066 3.436783 44.04108 
1 1 1  -23   11   28 o   74.436   20.328   77.305   38.850   80.780   39.734   1.8057  185.219   76.018   20.474   84.795   38.828 -8.777740 43.89547 
1 1 1  -23   11   29 o  142.276   18.630  274.488   64.601  280.252   67.746  216.686  214.533  143.299   19.433  110.930   46.355 32.36945 50.26316 
1 1 1  -23   11   30 o   52.134   18.909   32.172   31.747   29.609   32.164  129.128  197.811   51.143   18.954   97.916   42.766 -46.77264 46.77818 
1 1 1  -23   12    1 o   91.123   17.456  111.838   38.274  115.116   47.908  106.056   63.635   91.097   21.420   86.586   26.740 4.510841 34.26168 
1 1 1  -23   12    2 o  137.729   13.690  245.789   46.462  249.585   59.660  239.937   74.069  137.115   17.847  131.731   23.372 5.384354 29.40709 
1 1 1  -23   12    3 o   92.559   17.012  114.590   37.873  141.274   47.958   70.375   61.734  102.085   19.524   74.426   26.444 27.65903 32.87052 
1 1 1  -23   12    4 o  211.069   12.087  569.526   63.441  585.881   83.616  547.338   97.390  212.314   15.886  203.217   19.428 9.098022 25.09618 
1 1 1  -23   12    5 o  105.612   15.351  146.458   39.300  148.077   49.878  143.806   63.822  104.617   19.817  101.068   25.336 3.549759 32.16587 
1 1 1  -23   12    6 o  148.108   12.887  281.965   47.187  258.738   60.899  316.859   74.642  140.018   17.821  154.212   19.843 -14.19478 26.67097 
1 1 1  -23   12    7 o  129.755   13.779  217.696   43.965  217.014   56.780  218.717   69.474  127.929   18.295  126.499   22.833 1.430260 29.25833 
1 1 1  -23   12    8 o  223.548   12.287  637.988   68.327  651.589   90.943  620.360  103.533  224.045   16.368  216.980   19.310 7.064880 25.31355 
1 1 1  -23   12    9 o   98.564   15.855  128.028   37.702  125.560   47.499  132.231   61.984   96.113   20.420   97.203   25.293 -1.090370 32.50724 
1 1 1  -23   12   10 o  151.743   13.186  295.936   49.468  323.691   64.857  257.330   76.490  157.421   16.756  137.449   23.105 19.97226 28.54121 
1 1 1  -23   12   11 o  226.230   12.078  652.676   67.984  635.848   90.641  674.316  102.789  221.290   16.522  226.952   18.292 -5.662308 24.64897 
1 1 1  -23   12   12 o  145.791   13.103  273.260   47.193  271.595   61.429  275.658   73.721  143.771   17.469  143.215   21.259 0.5554352 27.51547 
1 1 1  -23   12   13 o  210.697   12.310  566.966   64.488  581.355   86.048  548.527   97.406  211.551   16.417  203.928   19.359 7.622620 25.38304 
1 1 1  -23   12   14 o  218.072   11.974  606.646   64.955  573.454   86.375  649.848   98.542  209.959   16.610  222.901   17.853 -12.94156 24.38495 
1 1 1  -23   12   15 o  105.281   15.163  145.257   38.715  160.992   49.709  120.997   61.722  109.651   18.832   92.856   25.730 16.79546 31.88543 
1 1 1  -23   12   16 o  125.984   14.089  205.830   43.567  218.972   56.706  186.895   68.065  128.479   18.182  115.972   24.282 12.50682 30.33457 
1 1 1  -23   12   17 o  175.420   13.653  396.367   59.336  370.405   84.364  421.780   83.469  166.266   20.772  178.500   19.019 -12.23398 28.16373 
1 1 1  -23   12   18 o  204.940   12.614  538.207   64.242  546.200   85.084  527.607   97.979  204.460   16.813  199.144   19.971 5.315842 26.10628 
1 1 1  -23   12   19 o  129.145   13.507  215.937   42.915  217.815   55.439  213.128   67.789  128.082   17.816  124.512   22.636 3.570290 28.80594 
1 1 1  -23   12   20 o  146.261   14.032  277.305   50.622  272.583   69.647  282.592   73.705  142.314   20.162  144.495   21.045 -2.180252 29.14393 
1 1 1  -23   12   21 o  130.204   18.800  227.011   59.356  235.159   63.201  166.081  172.819  132.110   19.765  107.850   42.878 24.25962 47.21412 
1 1 1  -23   12   22 o  186.471   18.595  461.773   85.432  485.681   94.483  354.620  200.023  190.283   20.192  140.536   47.733 49.74696 51.82824 
1 1 1  -23   12   23 o  143.395   19.979  277.591   69.597  354.000   75.378 -163.9553  181.201  162.795   18.893   71.928   34.567 90.86707 39.39317 
1 1 1  -23   12   24 o   84.821   20.388   99.614   42.650   99.230   43.994  105.621  173.880   84.494   20.953   97.492   41.291 -12.99784 46.30291 
1 1 1  -23   12   25 o   98.418   19.439  132.657   46.080  124.084   47.623  258.587  182.529   94.596   20.732  121.787   45.148 -27.19126 49.68108 
1 1 1  -23   12   26 o   96.409   19.940  128.270   46.421  127.802   47.900  135.501  188.271   95.950   20.606  101.720   43.017 -5.770386 47.69790 
1 1 1  -23   12   27 o  134.373   18.116  243.040   59.241  232.674   62.179  345.020  195.029  130.618   19.673  134.477   47.072 -3.859390 51.01800 
1 1 1  -23   12   28 o   49.792   18.872   25.919   32.266   29.977   32.755 -106.9729  187.447   51.679   19.132   75.440   35.955 -23.76056 40.72860 
1 1 1  -23   12   29 o  174.062   18.569  409.768   79.465  416.646   85.223  363.956  219.938  174.557   19.907  131.270   49.382 43.28719 53.24337 
1 1 1  -23   12   30 o  106.110   46.223  194.934  229.726   0.0000   0.0000  194.934  229.726  ?   ?   106.110   46.223 0.000000 46.22310 
1 1 1  -23   13    1 o  111.924   21.792  174.133   58.718  134.866   62.339  482.894  174.809   96.709   25.463  169.660   41.583 -72.95065 48.76006 
1 1 1  -23   13    2 f  125.712   20.724  216.086   62.791  192.634   67.284  374.301  174.760  116.970   23.844  146.450   44.136 -29.48001 50.16454 
1 1 1  -23   13    3 o  151.242   19.287  307.015   71.186  301.934   77.914  332.678  175.107  148.691   21.617  138.250   44.581 10.44087 49.54574 
1 1 1  -23   13    4 o  160.470   18.668  343.123   73.410  308.700   80.319  517.762  180.912  150.292   22.057  178.314   41.420 -28.02158 46.92728 
1 1 1  -23   13    5 o  244.852   18.284  790.996  110.991  710.838  129.465  1013.30  215.599  228.547   22.997  261.637   33.788 -33.08975 40.87158 
1 1 1  -23   13    6 o   75.471   18.716   77.670   35.101   70.926   43.784   89.799   58.720   72.264   22.158   80.730   25.794 -8.466347 34.00432 
1 1 1  -23   13    7 o  192.108   12.321  472.925   58.798  497.204   77.303  439.597   90.570  195.319   15.989  181.241   20.364 14.07750 25.89093 
1 1 1  -23   13    8 o  174.001   12.663  388.715   54.643  400.849   71.107  371.215   85.393  175.087   16.456  166.103   21.060 8.984222 26.72710 
1 1 1  -23   13    9 o   72.897   18.931   72.290   34.769   74.026   43.336   69.152   58.247   73.725   21.924   73.517   25.725 0.2084045 33.80036 
1 1 1  -23   13   10 o   83.451   17.611   93.856   35.547   78.165   44.106  122.936   60.045   75.595   22.021   93.442   25.169 -17.84663 33.44282 
1 1 1  -23   13   11 f  148.615   13.175  284.571   48.389  292.096   62.845  273.613   75.837  149.002   17.206  141.870   22.128 7.132309 28.03062 
1 1 1  -23   13   12 o  113.043   14.651  166.853   40.386  121.661   50.553  246.573   67.143   93.850   21.960  135.311   20.514 -41.46194 30.05147 
1 1 1  -23   13   13 o  215.055   12.140  591.290   64.928  574.482   85.812  613.799   99.301  209.904   16.504  215.793   18.609 -5.888336 24.87362 
1 1 1  -23   13   14 o  178.289   12.225  407.152   54.100  357.168   70.598  478.264   84.208  164.794   17.419  190.669   17.895 -25.87581 24.97329 
1 1 1  -23   13   15 o  289.895   12.403  1072.69   89.788  1020.48  120.802  1137.14  134.212  279.352   17.403  294.196   18.360 -14.84445 25.29776 
1 1 1  -23   13   16 o  134.366   19.128  241.421   62.369  332.262  132.786  215.708   70.647  146.951   36.379  124.837   23.525 22.11403 43.32266 
1 1 1  -23   13   17 o   85.762   22.261  102.191   48.092  102.191   48.092   0.0000   0.0000   85.762   22.261  ?   ?  0.000000 22.26114 
1 1 1  -23   13   18 o  108.187   20.091  159.212   52.282  160.333   54.730  147.519  176.774  108.187   21.015  105.431   42.858 2.756546 47.73344 
1 1 1  -23   13   19 f  115.195   19.233  179.064   53.375  163.105   55.967  339.501  177.451  108.934   21.337  140.639   44.829 -31.70550 49.64808 
1 1 1  -23   13   20 o  124.093   19.361  207.619   58.037  216.901   61.299  127.309  180.311  126.554   20.066  102.118   42.570 24.43630 47.06178 
1 1 1  -23   13   21 o   80.961   20.936   90.843   42.642   87.883   43.882  140.962  180.584   79.550   21.554  103.789   42.878 -24.23842 47.99047 
1 1 1  -23   13   22 o   80.249   20.659   89.233   41.646   76.398   42.794  318.858  181.007   74.384   21.698  134.561   45.409 -60.17747 50.32638 
1 1 1  -23   13   23 o  108.451   19.719  160.503   51.437  160.920   53.574  155.595  183.950  108.211   20.578  105.406   43.382 2.805275 48.01491 
1 1 1  -23   13   24 o   84.381   20.893   99.206   43.793  102.188   45.105   50.194  182.870   85.548   21.217   91.038   40.385 -5.489822 45.61906 
1 1 1  -23   13   25 o  127.968   18.770  221.239   58.198  222.286   61.055  210.838  192.505  127.764   19.775  112.809   45.122 14.95499 49.26507 
1 1 1  -23   13   26 o   97.327   19.920  130.991   46.783  128.870   48.207  165.302  193.892   96.187   20.684  105.370   44.053 -9.182846 48.66724 
1 1 1  -23   13   27 o   55.962   19.900   38.288   34.967   39.960   35.520 -14.1649  198.930   56.829   20.073   85.140   39.434 -28.31145 44.24919 
1 1 1  -23   13   28 o   50.396   19.106   26.814   33.076   37.115   33.564 -319.6447  194.650   54.966   19.502   63.857   31.712 -8.891140 37.22863 
1 1 1  -23   13   29 o  146.389   18.773  292.043   67.046  301.442   70.454  201.872  218.214  148.281   19.500  107.392   45.894 40.88850 49.86494 
1 1 1  -23   14    1 o   68.496   23.686   62.239   49.307   47.700   51.669  210.497  164.995   63.785   23.947  111.018   42.533 -47.23347 48.81049 
1 1 1  -23   14    2 o  102.750   23.260  150.119   58.293  152.589   62.133  131.967  168.422  102.993   24.512   98.881   41.175 4.112396 47.91869 
1 1 1  -23   14    3 o  175.121   19.109  412.464   82.209  390.672   90.950  509.764  192.182  168.367   22.171  169.845   44.703 -1.477417 49.89883 
1 1 1  -23   14    4 o  233.424   19.193  728.926  110.883  726.570  129.334  735.460  215.409  229.945   22.825  209.759   42.578 20.18648 48.31044 
1 1 1  -23   14    5 o   65.979   22.627   56.419   44.953   34.317   46.713  333.139  165.289   58.324   22.556  138.714   43.139 -80.39009 48.67967 
1 1 1  -23   14    6 o  107.287   22.085  160.104   57.197  172.175   60.773   66.471  169.254  111.068   22.678   91.624   39.795 19.44431 45.80322 
1 1 1  -23   14    7 o  163.764   18.946  358.455   76.047  343.174   83.181  436.263  187.693  158.714   21.544  158.243   45.233 0.4713898 50.10117 
1 1 1  -23   14    8 o  242.234   18.404  776.445  110.493  694.487  127.246  1027.68  222.784  225.595   22.905  261.149   35.046 -35.55435 41.86752 
1 1 1  -23   14    9 o  130.294   19.594  228.889   61.781  207.543   65.682  392.720  181.962  122.680   22.260  150.830   44.941 -28.15031 50.15212 
1 1 1  -23   14   10 o  103.898   20.997  148.404   52.604  137.888   55.092  256.989  177.031   99.395   22.695  123.818   44.693 -24.42290 50.12463 
1 1 1  -23   14   11 o  202.598   17.316  539.815   86.762  425.535   95.140  1104.31  211.450  176.997   22.000  276.151   31.210 -99.15485 38.18491 
1 1 1  -23   14   12 o  182.838   18.334  442.866   82.581  418.317   90.537  564.423  201.465  176.108   21.001  183.601   44.423 -7.493210 49.13712 
1 1 1  -23   14   13 o  101.265   21.032  141.082   51.446  124.960   53.719  319.534  178.724   94.490   22.986  136.338   45.106 -41.84795 50.62529 
1 1 1  -23   14   14 o   78.744   22.270   85.938   45.749   79.608   47.364  174.055  176.708   76.054   22.990  109.284   43.386 -33.23047 49.10094 
1 1 1  -23   14   15 o  217.856   18.281  627.369   98.532  573.544  110.488  836.481  217.777  205.858   21.826  231.397   39.080 -25.53914 44.76186 
1 1 1  -23   14   16 o  107.097   21.107  157.673   54.441  159.458   56.910  138.430  186.870  107.339   21.971  104.364   43.407 2.974792 48.65103 
1 1 1  -23   14   17 o  223.304   17.884  658.088   98.890  575.513  110.116  1002.24  224.801  206.142   21.718  256.800   36.048 -50.65775 42.08495 
1 1 1  -23   14   18 o   65.160   21.509   55.738   40.647   52.023   41.745  123.592  178.416   63.773   21.805  101.041   42.252 -37.26774 47.54687 
1 1 1  -23   14   19 o   81.929   21.540   93.451   44.652   90.105   46.096  144.340  179.760   80.375   22.222  103.956   42.847 -23.58115 48.26670 
1 1 1  -23   14   20 o   99.516   20.323  136.211   48.796  128.600   50.638  235.153  182.578   96.120   21.621  118.474   44.895 -22.35393 49.82983 
1 1 1  -23   14   21 o  126.363   19.086  215.535   58.349  212.709   61.323  242.573  189.662  124.891   20.364  119.319   45.628 5.572372 49.96595 
1 1 1  -23   14   22 o  232.450   17.907  715.933  103.142  623.701  114.706  1105.43  235.719  213.976   21.770  267.648   36.197 -53.67188 42.23896 
1 1 1  -23   14   23 o  176.513   18.801  417.377   81.596  441.179   88.910  290.307  205.431  180.708   20.040  125.713   47.626 54.99496 51.67036 
1 1 1  -23   14   24 o   56.367   20.230   38.078   36.215   35.546   36.876  106.800  192.121   55.506   20.342   98.158   42.515 -42.65125 47.13091 
1 1 1  -23   14   25 o   36.159   15.948  -5.8391   28.121  -9.5399   28.428  162.940  191.981   35.290   15.771  104.801   43.827 -69.51149 46.57829 
1 1 1  -23   14   26 f   81.201   20.782   92.660   42.317   90.490   43.277  140.001  202.113   80.121   21.273  101.630   43.813 -21.50816 48.70433 
1 1 1  -23   14   27 o   50.389   18.906   27.555   32.195   19.474   32.591  353.814  207.086   47.291   18.677  131.971   48.230 -84.68011 51.71991 
1 1 1  -23   14   28 o   84.648   21.202  101.818   44.721  105.291   45.669   20.750  220.638   86.032   21.357   89.436   41.462 -3.403503 46.63876 
1 1 1  -23   14   29 o   71.365   21.009   71.979   39.956   84.916   40.686 -278.8615  211.872   77.307   20.674   68.184   33.724 9.122444 39.55648 
1 1 1  -23   15    1 o   79.065   24.163   90.003   52.115   71.809   54.409  292.216  181.391   72.242   24.887  122.713   45.094 -50.47147 51.50556 
1 1 1  -23   15    2 o  127.341   21.604  226.702   66.243  214.109   71.043  310.565  183.330  122.105   24.154  126.839   45.516 -4.733963 51.52846 
1 1 1  -23   15    3 o  196.189   19.053  519.938   92.168  471.771  103.110  711.425  205.588  183.758   22.972  203.898   41.781 -20.14079 47.68011 
1 1 1  -23   15    4 o  233.170   18.699  729.518  107.964  621.772  122.623  1101.07  227.709  210.835   23.701  265.420   35.226 -54.58415 42.45704 
1 1 1  -23   15    5 o   96.624   23.440  133.354   55.980  140.345   59.010   70.469  176.986   98.852   24.118   91.379   40.167 7.472923 46.85215 
1 1 1  -23   15    6 o   88.803   22.795  111.910   50.805   99.263   53.128  247.174  173.745   83.436   24.129  118.628   44.034 -35.19260 50.21222 
1 1 1  -23   15    7 o   70.035   23.381   65.967   47.984   83.620   49.999 -139.9175  170.749   77.253   23.677   70.500   33.794 6.752388 41.26313 
1 1 1  -23   15    8 o  112.215   21.798  175.109   58.880  179.267   62.327  140.609  179.548  113.026   22.868  102.075   42.509 10.95094 48.26992 
1 1 1  -23   15    9 o   81.418   22.799   93.244   48.194   76.170   50.021  314.243  179.961   74.399   23.810  132.430   45.274 -58.03051 51.15368 
1 1 1  -23   15   10 o   59.977   21.835   42.535   42.387   38.714   43.671  104.674  176.100   58.905   22.035   97.189   41.373 -38.28398 46.87516 
1 1 1  -23   15   11 o  107.040   21.318  158.571   54.981  142.706   57.464  330.358  189.090  100.545   23.336  135.186   46.404 -34.64085 51.94192 
1 1 1  -23   15   12 o   56.995   21.321   35.741   40.890   27.632   42.004  182.549  178.721   54.450   21.296  109.253   43.551 -54.80342 48.47893 
1 1 1  -23   15   13 o   75.941   22.570   80.036   45.935   81.257   47.545   62.900  178.072   76.486   23.014   92.332   40.445 -15.84624 46.53460 
1 1 1  -23   15   14 o   88.253   22.244  109.231   49.006   83.667   50.785  454.972  186.766   77.561   23.878  161.692   44.741 -84.13058 50.71380 
1 1 1  -23   15   15 o   78.705   23.714   86.529   50.455   79.201   52.461  176.913  184.242   75.877   24.395  108.675   43.904 -32.79798 50.22606 
1 1 1  -23   15   16 f   59.140   21.507   41.173   41.106   41.173   41.106   0.0000   0.0000   59.140   21.507  ?   ?  0.000000 21.50675 
1 1 1  -23   15   17 o  108.865   20.086  162.257   52.592  125.032   54.432  685.182  204.012   94.037   23.299  204.563   41.359 -110.5261 47.47008 
1 1 1  -23   15   18 o  104.601   20.487  150.651   51.598  146.824   53.774  195.093  183.247  102.720   21.646  111.124   44.161 -8.403915 49.18105 
1 1 1  -23   15   19 o  119.015   19.826  193.004   56.850  178.863   59.371  348.977  197.183  113.564   21.727  137.332   47.373 -23.76778 52.11792 
1 1 1  -23   15   20 o  128.539   19.748  224.541   61.361  233.329   64.631  144.220  195.387  130.694   20.476  103.920   43.878 26.77370 48.42038 
1 1 1  -23   15   21 o  154.645   18.574  320.847   70.295  303.159   74.452  466.095  213.351  149.160   20.532  156.294   49.077 -7.133484 53.19929 
1 1 1  -23   15   22 o   90.618   21.118  114.839   46.904  100.172   48.230  370.596  201.406   84.184   22.508  139.431   47.890 -55.24632 52.91561 
1 1 1  -23   15   23 o  121.775   19.708  202.669   57.882  208.221   60.253  136.255  208.390  123.153   20.300  102.648   44.369 20.50513 48.79249 
1 1 1  -23   15   24 o  125.256   19.193  213.715   58.120  206.166   60.548  302.237  207.337  122.260   20.562  125.227   47.749 -2.967010 51.98822 
1 1 1  -23   15   25 o   69.724   21.157   67.446   40.056   69.838   40.813   4.7570  208.931   70.828   21.325   87.983   40.632 -17.15451 45.88819 
1 1 1  -23   15   26 o   52.878   19.627   31.631   34.516   36.872   35.030 -142.8283  202.116   55.240   19.889   75.109   36.199 -19.86977 41.30303 
1 1 1  -23   15   27 o   90.852   21.069  116.956   46.871  122.350   48.058   11.747  212.242   92.911   21.184   87.629   40.639 5.281853 45.82829 
1 1 1  -23   15   28 o  192.233   18.299  500.622   86.781  454.720   92.329  848.499  254.173  181.136   20.788  205.403   50.019 -24.26677 54.16722 
1 1 1  -23   16    2 o  154.729   20.287  331.453   76.499  302.185   82.743  503.697  200.729  145.221   23.629  158.098   47.224 -12.87685 52.80560 
1 1 1  -23   16    3 o  120.420   22.986  207.181   66.599  228.564   71.301   60.925  186.475  126.296   23.472   88.945   40.022 37.35080 46.39672 
1 1 1  -23   16    4 o  145.827   20.413  293.572   72.298  256.965   77.718  528.914  197.056  133.832   24.143  167.015   45.852 -33.18301 51.81961 
1 1 1  -23   16    5 o   98.339   23.439  139.315   56.743  142.290   59.537  109.829  187.443   98.980   24.273   95.701   41.719 3.278618 48.26654 
1 1 1  -23   16    6 o   76.022   23.719   81.755   49.924   94.413   52.059 -63.0938  176.103   81.101   24.010   76.622   36.016 4.479446 43.28505 
1 1 1  -23   16    7 o  105.359   22.359  157.045   57.007  138.401   59.898  336.269  185.714   97.716   24.572  132.698   45.963 -34.98167 52.11901 
1 1 1  -23   16    8 f   52.030   21.064   20.703   42.505   22.912   43.686 -18.5080  184.023   53.203   21.419   82.555   38.128 -29.35256 43.73250 
1 1 1  -23   16    9 o   71.648   23.036   70.741   46.781   72.873   48.434   41.099  180.598   72.629   23.449   88.357   39.600 -15.72867 46.02229 
1 1 1  -23   16   10 o   57.969   21.629   38.110   42.025   42.514   43.209 -38.9699  180.772   59.944   22.012   80.501   37.392 -20.55679 43.39022 
1 1 1  -23   16   11 o  151.246   19.137  309.042   70.660  280.122   75.276  523.374  204.928  142.295   21.886  168.542   46.948 -26.24780 51.79849 
1 1 1  -23   16   12 o   90.127   22.491  114.946   50.456  105.002   52.307  248.050  191.373   85.829   23.648  118.310   45.682 -32.48109 51.44016 
1 1 1  -23   16   13 o   96.202   21.971  130.096   51.622  123.950   53.570  210.036  193.201   93.416   23.095  112.423   45.120 -19.00710 50.68708 
1 1 1  -23   16   14 o   99.725   43.264  113.237  199.589   0.0000   0.0000  113.237  199.589  ?   ?    99.725   43.264 0.000000 43.26360 
1 1 1  -23   16   15 o   58.715   21.540   40.339   41.361   40.339   41.361   0.0000   0.0000   58.715   21.540  ?   ?  0.000000 21.53978 
1 1 1  -23   16   16 o   85.937   21.968  104.008   47.324   89.785   48.732  339.635  198.352   79.784   23.120  134.211   47.431 -54.42695 52.76588 
1 1 1  -23   16   17 o  136.569   19.002  252.085   63.047  213.895   66.091  638.248  210.163  123.971   22.162  191.171   44.805 -67.19952 49.98624 
1 1 1  -23   16   18 o  108.641   20.721  163.247   54.163  145.861   56.129  398.436  206.443  101.643   22.688  143.803   48.495 -42.15965 53.53963 
1 1 1  -23   16   19 o  183.649   18.639  452.186   84.296  428.424   90.829  599.769  226.364  177.168   20.935  177.942   49.263 -0.7733002 53.52642 
1 1 1  -23   16   20 o  138.331   19.964  260.966   66.966  281.017   70.718   86.905  208.359  143.422   20.313   97.040   43.074 46.38211 47.62381 
1 1 1  -23   16   21 o   74.266   21.550   77.122   42.313   61.734   43.235  426.366  205.971   67.594   22.177  147.971   48.397 -80.37656 53.23584 
1 1 1  -23   16   22 o   83.286   21.790   98.115   45.842   98.431   46.951   91.672  212.118   83.310   22.176   97.193   43.284 -13.88327 48.63445 
1 1 1  -23   16   23 o  117.564   20.003  190.454   56.623  191.268   58.845  180.297  207.990  117.371   20.840  106.672   45.168 10.69968 49.74406 
1 1 1  -23   16   24 o  136.605   18.557  253.236   61.664  223.011   64.096  629.162  226.044  126.697   20.994  179.476   49.041 -52.77944 53.34563 
1 1 1  -23   16   25 o   94.312   21.011  125.557   48.216  124.265   49.369  152.244  224.396   93.555   21.573  102.633   45.169 -9.078751 50.05599 
1 1 1  -23   16   26 o   62.703   21.187   52.465   39.407   51.454   40.075   82.027  216.747   62.369   21.365   94.124   42.675 -31.75464 47.72452 
1 1 1  -23   16   27 o   78.953   21.780   89.435   44.338   88.240   45.187  120.347  229.800   78.353   22.124   97.812   44.181 -19.45847 49.41039 
1 1 1  -23   17    5 o   91.554   24.246  123.273   56.312  107.322   59.023  285.004  187.947   85.089   25.651  118.922   45.434 -33.83355 52.17496 
1 1 1  -23   17    6 o  113.280   22.754  183.612   62.133  174.517   65.366  268.800  200.054  109.265   24.555  116.242   46.159 -6.977013 52.28336 
1 1 1  -23   17    7 o   58.270   22.354   37.233   45.616   39.836   47.033  -4.0365  187.283   59.561   22.735   82.848   38.334 -23.28720 44.56858 
1 1 1  -23   17    8 o   75.620   23.733   81.267   49.899   75.840   51.730  153.850  189.193   73.565   24.264  101.001   42.937 -27.43544 49.31846 
1 1 1  -23   17    9 o   82.772   23.906   98.870   52.178  103.337   54.329   45.795  187.275   84.419   24.397   88.413   39.914 -3.994240 46.78010 
1 1 1  -23   17   10 o   59.734   22.387   41.254   45.122   38.357   46.325   94.872  199.324   59.055   22.558   95.349   42.236 -36.29484 47.88272 
1 1 1  -23   17   11 o  164.339   18.923  365.627   76.239  316.436   81.646  700.560  213.045  150.487   22.410  198.923   44.050 -48.43692 49.42274 
1 1 1  -23   17   12 o   77.558   23.138   85.328   48.211   79.541   49.689  178.284  199.148   75.193   23.696  106.069   44.515 -30.87583 50.42934 
1 1 1  -23   17   13 o   51.976   20.702   23.278   40.352   16.233   41.213  186.538  198.391   50.040   20.557  107.372   44.697 -57.33141 49.19810 
1 1 1  -23   17   14 o   64.370   22.333   53.895   43.851   54.952   44.864   31.275  207.541   64.963   22.586   90.486   41.308 -25.52294 47.07943 
1 1 1  -23   17   15 o  106.471   21.883  159.398   56.237  147.015   58.321  323.420  212.261  101.353   23.500  127.853   48.417 -26.49976 53.81902 
1 1 1  -23   17   16 o  183.224   19.534  454.812   87.999  461.415   95.137  415.701  231.553  183.346   21.168  140.798   51.069 42.54791 55.28195 
1 1 1  -23   17   17 o  173.980   18.864  408.380   80.643  378.306   86.229  618.215  227.768  165.721   21.332  178.754   49.387 -13.03284 53.79688 
1 1 1  -23   17   18 o  140.831   19.667  270.649   67.277  253.656   70.647  436.092  220.438  135.086   21.676  145.844   50.101 -10.75883 54.58925 
1 1 1  -23   17   19 o  133.782   20.162  245.769   65.265  237.855   68.086  335.372  229.096  130.721   21.613  127.858   49.810 2.862808 54.29694 
1 1 1  -23   17   20 o   85.045   22.083  102.877   47.313  100.094   48.569  154.632  209.455   83.720   22.673  103.331   44.574 -19.61017 50.00856 
1 1 1  -23   17   21 f  107.609   21.024  162.018   54.468  159.548   56.158  201.239  223.753  106.317   21.882  109.087   46.542 -2.770569 51.42926 
1 1 1  -23   17   22 o  100.334   21.284  141.908   51.676  140.143   53.150  172.408  220.933   99.334   22.006  105.099   45.556 -5.764786 50.59307 
1 1 1  -23   17   23 o  109.450   20.607  167.398   54.255  162.753   55.925  241.712  223.700  107.340   21.611  112.870   47.264 -5.530090 51.97100 
1 1 1  -23   17   24 o   55.016   20.357   35.283   37.075   33.491   37.612   96.788  220.306   54.467   20.434   95.868   43.285 -41.40115 47.86571 
1 1 1  -23   17   25 o  189.327   18.399  486.152   85.890  418.349   90.892  1051.76  262.518  173.095   21.490  237.902   45.851 -64.80707 50.63747 
1 1 1  -23   17   26 o  144.775   19.696  289.794   69.359  295.893   72.364  220.911  243.202  145.789   20.439  107.565   47.189 38.22312 51.42464 
1 1 1  -23   18   10 o  125.824   21.575  222.970   65.350  209.902   68.711  346.843  211.543  120.663   23.649  127.219   48.297 -6.556396 53.77654 
1 1 1  -23   18   11 o   60.723   22.491   44.609   45.275   45.481   46.400   27.285  206.870   61.305   22.756   87.955   40.553 -26.65000 46.50149 
1 1 1  -23   18   12 o   51.959   20.821   23.109   41.074   19.720   42.038   94.518  192.979   51.240   20.873   93.487   41.478 -42.24687 46.43364 
1 1 1  -23   18   13 o   67.218   23.579   60.055   48.947   66.571   50.365 -50.8576  207.791   69.843   23.951   82.012   38.725 -12.16947 45.53280 
1 1 1  -23   18   14 o   31.763   15.184 -42.1661   33.966 -42.1661   33.966   0.0000   0.0000   31.763   15.184  ?   ?  0.000000 15.18441 
1 1 1  -23   18   15 o   87.166   23.193  109.702   51.368  121.836   53.030 -74.8527  206.811   91.895   23.127   80.249   38.110 11.64621 44.57839 
1 1 1  -23   18   16 o  100.933   22.436  145.454   55.083  140.177   56.841  226.802  223.173   98.525   23.443  111.158   46.912 -12.63214 52.44323 
1 1 1  -23   18   17 o   68.482   22.564   64.436   44.741   60.285   45.746  155.772  214.574   66.912   22.827  102.411   44.641 -35.49944 50.13829 
1 1 1  -23   18   18 o   91.295   23.018  120.203   52.465  123.788   53.957   58.022  224.719   92.510   23.354   93.218   42.716 -0.7085876 48.68291 
1 1 1  -23   18   19 o  111.957   20.903  175.614   56.291  146.848   58.032  633.620  231.561  100.785   23.492  176.130   50.205 -75.34494 55.42933 
1 1 1  -23   18   20 o   74.311   22.596   78.462   45.657   76.691   46.508  125.559  239.834   73.568   22.883  100.103   45.183 -26.53530 50.64708 
1 1 1  -23   18   21 o   51.863   20.338   25.912   38.390   29.920   38.976 -104.2937  222.161   53.530   20.631   79.923   38.373 -26.39326 43.56771 
1 1 1  -23   18   22 o   65.033   21.845   57.386   41.888   60.540   42.655 -28.0337  221.987   66.441   22.038   84.885   40.064 -18.44373 45.72555 
1 1 1  -23   18   23 o   58.570   21.077   42.992   39.338   29.699   39.899  505.809  235.425   53.652   20.819  148.225   51.727 -94.57291 55.75964 
1 1 1  -23   18   24 o   74.405   22.247   79.448   44.531   79.448   44.531   0.0000   0.0000   74.405   22.247  ?   ?  0.000000 22.24686 
1 1 1  -22  -31    1 o  129.411   31.024  334.880   98.955   0.0000   0.0000  334.880   98.955  ?   ?   129.411   31.024 0.000000 31.02372 
1 1 1  -22  -31    2 o   76.838   29.549  129.762   79.823   0.0000   0.0000  129.762   79.823  ?   ?    76.838   29.549 0.000000 29.54894 
1 1 1  -22  -30    1 o   88.939   30.709  158.538   82.868   0.0000   0.0000  158.538   82.868  ?   ?    88.939   30.709 0.000000 30.70894 
1 1 1  -22  -30    2 o   54.018   24.533   11.516   72.022   0.0000   0.0000   11.516   72.022  ?   ?    54.018   24.533 0.000000 24.53313 
1 1 1  -22  -30    3 o   66.764   27.690   79.005   75.732   0.0000   0.0000   79.005   75.732  ?   ?    66.764   27.690 0.000000 27.68955 
1 1 1  -22  -30    4 o   59.747   26.182   50.273   74.682   0.0000   0.0000   50.273   74.682  ?   ?    59.747   26.182 0.000000 26.18155 
1 1 1  -22  -29    1 o   75.685   18.697   85.093   35.131 -82.4630  194.417   90.749   35.719   67.248   33.077   78.308   18.551 -11.06069 37.92382 
1 1 1  -22  -29    2 f   59.528   25.638   36.422   69.079 -76.0882  194.454   52.672   73.900   66.514   32.786   63.752   26.955 2.762344 42.44394 
1 1 1  -22  -29    3 o   93.969   31.525  177.818   87.236   0.0000   0.0000  177.818   87.236  ?   ?    93.969   31.525 0.000000 31.52476 
1 1 1  -22  -29    4 o  168.053   30.235  520.800  122.221   0.0000   0.0000  520.800  122.221  ?   ?   168.053   30.235 0.000000 30.23549 
1 1 1  -22  -29    5 o   53.990   24.676   10.989   74.336   0.0000   0.0000   10.989   74.336  ?   ?    53.990   24.676 0.000000 24.67609 
1 1 1  -22  -28    1 o   97.507   16.636  133.541   39.055   1.8103  183.448  139.795   39.972   74.075   35.378   99.820   16.620 -25.74458 39.08744 
1 1 1  -22  -28    2 o   30.504   13.991 -13.2357   24.190 -113.0275  179.992 -11.4001   24.411   65.254   32.042   31.165   14.204 34.08920 35.04899 
1 1 1  -22  -28    3 o  100.012   29.984  181.030   80.814   40.720  197.598  209.213   88.559   75.633   36.281  106.251   31.276 -30.61754 47.90105 
1 1 1  -22  -28    4 o   63.358   27.080   48.119   75.991   0.0000   0.0000   48.119   75.991  ?   ?    63.358   27.080 0.000000 27.07984 
1 1 1  -22  -28    5 o   57.876   25.670   25.244   73.857   0.0000   0.0000   25.244   73.857  ?   ?    57.876   25.670 0.000000 25.66986 
1 1 1  -22  -28    6 o   70.364   28.842   87.357   80.894   0.0000   0.0000   87.357   80.894  ?   ?    70.364   28.842 0.000000 28.84169 
1 1 1  -22  -27    1 o  109.607   16.246  165.605   43.121  191.260  176.994  163.986   44.460   95.677   41.122  108.633   16.942 -12.95604 44.47501 
1 1 1  -22  -27    2 o   96.817   17.359  131.989   40.427  -5.3649  179.810  139.301   41.490   74.583   35.453   99.542   17.320 -24.95946 39.45760 
1 1 1  -22  -27    3 o   58.679   18.763   48.989   31.068  171.210  178.724   45.181   31.549   90.376   40.016   56.818   18.958 33.55738 44.27945 
1 1 1  -22  -27    4 f   69.494   27.727   70.188   72.498   29.107  185.986   77.549   78.725   75.745   36.021   71.826   28.811 3.919106 46.12518 
1 1 1  -22  -27    5 o   91.654   31.205  156.715   85.488   0.0000   0.0000  156.715   85.488  ?   ?    91.654   31.205 0.000000 31.20498 
1 1 1  -22  -27    6 o   83.475   30.615  130.676   83.547   0.0000   0.0000  130.676   83.547  ?   ?    83.475   30.615 0.000000 30.61474 
1 1 1  -22  -27    7 o   69.009   27.910   77.153   74.544   0.0000   0.0000   77.153   74.544  ?   ?    69.009   27.910 0.000000 27.90985 
1 1 1  -22  -26    1 o  158.668   17.911  346.750   69.724  394.818  181.718  338.452   75.503  133.105   45.495  155.052   19.964 -21.94678 49.68246 
1 1 1  -22  -26    2 o   38.633   16.202   6.6453   26.351  154.413  165.123   2.7837   26.693   92.701   39.777   37.462   16.032 55.23879 42.88615 
1 1 1  -22  -26    3 o  138.087   14.213  255.716   48.312  449.492  181.568  240.952   50.119  140.019   45.422  133.268   15.340 6.751678 47.94220 
1 1 1  -22  -26    4 o   93.550   17.018  122.687   38.291  323.454  184.265  113.626   39.146  113.600   44.556   89.286   18.175 24.31389 48.11992 
1 1 1  -22  -26    5 o   74.119   28.361   84.623   73.302   95.703  161.930   81.767   82.208   81.774   36.998   73.947   29.518 7.827736 47.33051 
1 1 1  -22  -26    6 o   87.094   31.174  136.368   85.946   0.0000   0.0000  136.368   85.946  ?   ?    87.094   31.174 0.000000 31.17431 
1 1 1  -22  -26    7 o   82.399   30.213  121.387   81.364   0.0000   0.0000  121.387   81.364  ?   ?    82.399   30.213 0.000000 30.21322 
1 1 1  -22  -26    8 o   59.345   26.167   26.774   75.646   0.0000   0.0000   26.774   75.646  ?   ?    59.345   26.167 0.000000 26.16681 
1 1 1  -22  -25    1 o   61.099   19.142   51.400   32.478  -6.0406  152.177   54.141   33.244   75.315   34.745   62.508   19.331 12.80686 39.76068 
1 1 1  -22  -25    2 o   42.179   17.207   12.193   28.620  193.562  157.818   6.0256   29.103  101.800   40.807   40.201   16.952 61.59935 44.18779 
1 1 1  -22  -25    3 o   70.989   19.271   71.965   35.038 -48.9153  160.353   78.026   35.906   71.277   33.764   73.887   19.263 -2.609528 38.87270 
1 1 1  -22  -25    4 o   61.499   18.750   53.241   31.407  132.576  145.749   49.378   32.162   89.530   37.855   59.583   19.095 29.94650 42.39792 
1 1 1  -22  -25    5 o   63.819   18.132   57.925   30.256   84.075  154.599   56.883   30.852   82.377   36.799   63.233   18.417 19.14429 41.15081 
1 1 1  -22  -25    6 o  168.068   24.415  426.667   99.471  274.950  181.923  491.367  118.803  106.757   43.447  176.006   27.966 -69.24932 51.66900 
1 1 1  -22  -25    7 o   60.389   26.417   22.652   75.743   0.0000   0.0000   22.652   75.743  ?   ?    60.389   26.417 0.000000 26.41737 
1 1 1  -22  -25    8 o   67.655   27.969   59.558   76.910   0.0000   0.0000   59.558   76.910  ?   ?    67.655   27.969 0.000000 27.96888 
1 1 1  -22  -25    9 o  117.551   31.661  252.379   95.017   0.0000   0.0000  252.379   95.017  ?   ?   117.551   31.661 0.000000 31.66062 
1 1 1  -22  -25   10 o   62.775   26.525   47.854   71.484   0.0000   0.0000   47.854   71.484  ?   ?    62.775   26.525 0.000000 26.52473 
1 1 1  -22  -24    1 o   41.085   16.808   10.251   27.408 -119.6385  148.427   14.836   27.888   65.607   31.464   43.159   17.204 22.44840 35.86044 
1 1 1  -22  -24    2 o   46.832   17.904   22.372   29.199  184.152  151.921   16.167   29.754  103.292   40.472   44.520   17.762 58.77293 44.19854 
1 1 1  -22  -24    3 o   32.931   14.854 -10.7216   25.870 -116.1049  150.404  -7.5088   26.261   65.321   31.417   34.141   15.215 31.17985 34.90782 
1 1 1  -22  -24    4 o   78.311   18.026   85.943   34.520  261.662  143.859   75.207   35.559  116.801   40.454   72.804   19.261 43.99743 44.80497 
1 1 1  -22  -24    5 o   91.986   16.638  116.531   36.811  188.589  148.190  111.792   38.002  100.319   39.762   89.571   17.618 10.74737 43.48980 
1 1 1  -22  -24    6 o   56.893   18.139   44.508   29.051  237.513  149.631   36.948   29.614  107.883   40.700   53.152   18.358 54.73043 44.64870 
1 1 1  -22  -24    7 o  149.300   24.277  333.775   87.402  419.956  171.822  303.691  101.517  138.360   44.113  135.545   30.704 2.815567 53.74688 
1 1 1  -22  -24    8 o   80.792   29.900  105.562   79.987   0.0000   0.0000  105.562   79.987  ?   ?    80.792   29.900 0.000000 29.89997 
1 1 1  -22  -24    9 o   66.930   27.831   53.492   76.798   0.0000   0.0000   53.492   76.798  ?   ?    66.930   27.831 0.000000 27.83150 
1 1 1  -22  -24   10 o  228.982   29.054  867.512  162.393   0.0000   0.0000  867.512  162.393  ?   ?   228.982   29.054 0.000000 29.05360 
1 1 1  -22  -24   11 o   45.564   21.815 -59.0258   70.683   0.0000   0.0000 -59.0258   70.683  ?   ?    45.564   21.815 0.000000 21.81517 
1 1 1  -22  -23    1 o  101.970   16.570  139.402   40.746  132.862  148.281  139.937   42.377   97.735   39.421  101.880   17.274 -4.144218 43.03978 
1 1 1  -22  -23    2 o   51.213   18.373   31.003   29.869 -82.3569  141.722   36.273   30.556   67.940   32.050   53.903   18.645 14.03763 37.07891 
1 1 1  -22  -23    3 o   96.841   17.045  127.305   39.715  106.141  151.534  128.866   41.153   91.802   38.695   97.201   17.603 -5.399017 42.51064 
1 1 1  -22  -23    4 o   72.482   19.893   73.915   37.099  216.211  136.393   62.546   38.553  110.743   39.311   67.078   20.830 43.66493 44.48821 
1 1 1  -22  -23    5 o  124.569   14.686  206.261   44.807   67.830  141.577  221.670   47.235   83.128   36.247  129.060   14.932 -45.93264 39.20235 
1 1 1  -22  -23    6 o   76.038   17.879   80.940   33.379   35.821  139.411   83.684   34.379   77.667   34.802   77.238   18.134 0.4286499 39.24339 
1 1 1  -22  -23    7 o  120.286   14.960  194.245   43.965  262.541  151.109  187.929   45.953  114.402   41.291  117.684   16.056 -3.281891 44.30306 
1 1 1  -22  -23    8 o  103.441   29.038  173.464   78.080  137.293  156.245  185.504   90.142   90.841   38.828  104.624   31.736 -13.78286 50.14755 
1 1 1  -22  -23    9 o  113.414   32.118  221.745   95.090   0.0000   0.0000  221.745   95.090  ?   ?   113.414   32.118 0.000000 32.11824 
1 1 1  -22  -23   10 o   88.651   31.137  134.899   85.369   0.0000   0.0000  134.899   85.369  ?   ?    88.651   31.137 0.000000 31.13712 
1 1 1  -22  -23   11 o  106.081   32.004  202.207   91.853   0.0000   0.0000  202.207   91.853  ?   ?   106.081   32.004 0.000000 32.00368 
1 1 1  -22  -23   12 o   95.334   32.038  169.044   90.098   0.0000   0.0000  169.044   90.098  ?   ?    95.334   32.038 0.000000 32.03753 
1 1 1  -22  -22    1 o   65.383   18.994   57.839   32.854  195.422  141.345   49.981   33.779  111.725   39.979   61.551   19.552 50.17458 44.50460 
1 1 1  -22  -22    2 o  221.285   13.911  633.795   76.481  653.159  179.979  629.527   84.489  205.393   36.424  219.604   15.506 -14.21107 39.58722 
1 1 1  -22  -22    3 o  127.952   14.390  214.461   45.183  427.834  155.745  194.853   47.213  161.608   39.032  121.237   15.984 40.37172 42.17794 
1 1 1  -22  -22    4 o   66.204   18.451   60.204   31.643   76.672  131.174   59.187   32.605   85.766   36.068   65.673   18.877 20.09250 40.70954 
1 1 1  -22  -22    5 o  128.872   18.146  225.075   56.781   44.458  140.144  260.548   62.108   81.514   35.789  138.654   18.391 -57.13985 40.23806 
1 1 1  -22  -22    6 o   91.404   16.056  113.066   35.312  218.932  136.548  105.479   36.555  111.434   39.357   87.698   17.307 23.73582 42.99382 
1 1 1  -22  -22    7 o  114.693   14.909  175.507   41.691  291.089  150.525  165.904   43.388  124.042   41.411  110.869   16.145 13.17242 44.44738 
1 1 1  -22  -22    8 o   79.321   18.065   88.132   34.983   62.641  143.682   89.738   36.068   81.708   36.043   79.897   18.451 1.810921 40.49096 
1 1 1  -22  -22    9 o  115.517   28.519  210.770   81.774 -50.8631  158.589  305.526   95.440   70.991   33.614  140.237   28.230 -69.24596 43.89597 
1 1 1  -22  -22   10 o   78.778   30.098   92.922   82.478   0.0000   0.0000   92.922   82.478  ?   ?    78.778   30.098 0.000000 30.09751 
1 1 1  -22  -22   11 o  100.920   31.768  176.090   89.332   0.0000   0.0000  176.090   89.332  ?   ?   100.920   31.768 0.000000 31.76784 
1 1 1  -22  -22   12 o  132.831   31.694  302.516  103.664   0.0000   0.0000  302.516  103.664  ?   ?   132.831   31.694 0.000000 31.69411 
1 1 1  -22  -22   13 o  121.173   33.168  267.664  103.292   0.0000   0.0000  267.664  103.292  ?   ?   121.173   33.168 0.000000 33.16809 
1 1 1  -22  -21    1 o  273.739   27.519  1040.31  185.565   0.0000   0.0000  1040.31  185.565  ?   ?   273.739   27.519 0.000000 27.51893 
1 1 1  -22  -21    2 o  211.043   13.906  574.135   72.877  568.017  173.780  575.441   80.277  192.625   37.476  210.556   15.374 -17.93153 40.50723 
1 1 1  -22  -21    3 o  238.339   12.977  729.938   76.943  904.125  174.391  687.832   85.740  252.954   28.082  230.255   14.993 22.69824 31.83372 
1 1 1  -22  -21    4 o  122.980   14.139  197.443   42.632  326.482  134.621  183.060   44.945  143.213   37.280  117.781   15.670 25.43235 40.43919 
1 1 1  -22  -21    5 o   34.246   14.794  -1.1874   23.140 -148.2867  122.116   4.2914   23.567   57.441   27.795   36.596   15.334 20.84496 31.74390 
1 1 1  -22  -21    6 o   99.380   18.465  134.925   44.138  117.271  135.812  137.010   46.672   93.328   37.698   99.729   19.439 -6.400444 42.41476 
1 1 1  -22  -21    7 o   72.772   17.925   73.196   32.361  159.635  132.243   67.690   33.376  100.126   38.145   69.839   18.745 30.28684 42.50180 
1 1 1  -22  -21    8 o  119.992   14.923  191.315   43.749  187.824  151.054  191.634   45.708  104.319   40.500  119.738   15.662 -15.41885 43.42270 
1 1 1  -22  -21    9 o   92.956   16.964  118.382   37.928  282.272  145.469  106.429   39.287  122.734   40.698   87.300   18.591 35.43329 44.74310 
1 1 1  -22  -21   10 o   78.992   28.987   91.318   74.915  111.766  149.506   84.462   86.566   88.969   38.004   78.217   30.577 10.75221 48.77758 
1 1 1  -22  -21   11 o   84.390   30.927  111.775   85.240   0.0000   0.0000  111.775   85.240  ?   ?    84.390   30.927 0.000000 30.92742 
1 1 1  -22  -21   12 o   60.637   26.842   10.915   80.370   0.0000   0.0000   10.915   80.370  ?   ?    60.637   26.842 0.000000 26.84190 
1 1 1  -22  -21   13 o  235.780   29.012  885.868  167.215   0.0000   0.0000  885.868  167.215  ?   ?   235.780   29.012 0.000000 29.01197 
1 1 1  -22  -20    1 o  230.742   20.738  703.738  118.216  513.424  184.513  836.259  153.969  182.298   41.467  248.555   25.152 -66.25652 48.49903 
1 1 1  -22  -20    2 o  134.359   32.189  263.404  106.584   0.0000   0.0000  263.404  106.584  ?   ?   134.359   32.189 0.000000 32.18938 
1 1 1  -22  -20    3 f  122.710   14.601  195.886   43.864  191.437  130.155  196.456   46.590  112.868   38.503  122.561   15.574 -9.692322 41.53394 
1 1 1  -22  -20    4 o   45.472   17.365   19.627   27.449 -15.0365  122.610   21.456   28.164   72.742   32.614   46.617   17.641 26.12498 37.07890 
1 1 1  -22  -20    5 o  153.473   13.601  304.694   51.586  435.971  146.382  286.079   55.122  168.773   35.839  148.073   15.120 20.70024 38.89811 
1 1 1  -22  -20    6 o  147.689   14.391  284.166   52.402   83.630  138.180  317.850   56.632   89.614   37.304  156.130   14.698 -66.51673 40.09497 
1 1 1  -22  -20    7 o  104.919   17.319  148.089   43.792  374.231  139.154  123.230   46.136  152.892   36.874   94.367   20.189 58.52473 42.03925 
1 1 1  -22  -20    8 f  205.172   13.142  545.542   66.980  728.920  170.106  511.894   72.866  219.497   31.973  197.714   14.867 21.78337 35.26083 
1 1 1  -22  -20    9 o  151.877   14.041  302.402   52.650  240.293  152.330  310.829   56.108  115.754   41.495  153.590   14.813 -37.83535 44.05977 
1 1 1  -22  -20   10 f  193.152   13.264  486.879   63.587  535.323  167.655  478.739   68.722  176.476   39.075  190.700   14.540 -14.22371 41.69246 
1 1 1  -22  -20   11 f  157.508   29.241  381.548  110.778   0.0000   0.0000  381.548  110.778  ?   ?   157.508   29.241 0.000000 29.24098 
1 1 1  -22  -20   12 o  186.835   28.902  538.291  130.491   0.0000   0.0000  538.291  130.491  ?   ?   186.835   28.902 0.000000 28.90166 
1 1 1  -22  -20   13 o  125.681   33.749  271.580  108.157   0.0000   0.0000  271.580  108.157  ?   ?   125.681   33.749 0.000000 33.74891 
1 1 1  -22  -20   14 o   48.743   23.213 -64.9071   77.808   0.0000   0.0000 -64.9071   77.808  ?   ?    48.743   23.213 0.000000 23.21303 
1 1 1  -22  -19    1 o   55.456   19.100   36.835   32.046   21.850  125.087   37.888   33.153   80.526   34.589   56.269   19.424 24.25668 39.66939 
1 1 1  -22  -19    2 o  115.454   33.123  192.532  100.471   0.0000   0.0000  192.532  100.471  ?   ?   115.454   33.123 0.000000 33.12262 
1 1 1  -22  -19    3 o  112.125   17.048  165.602   46.231   0.0000   0.0000  165.602   46.231  ?   ?   112.125   17.048 0.000000 17.04829 
1 1 1  -22  -19    4 o  132.026   14.252  225.556   46.241  253.159  128.965  221.483   49.535  129.002   37.678  130.397   15.517 -1.395721 40.74771 
1 1 1  -22  -19    5 o  293.403   13.618  1101.69   99.777  1339.02  207.965  1030.72  113.720  311.733   26.981  281.949   16.220 29.78372 31.48128 
1 1 1  -22  -19    6 o  204.665   12.887  537.549   65.525  855.070  166.310  479.203   71.291  247.587   27.356  192.284   14.965 55.30301 31.18191 
1 1 1  -22  -19    7 o  120.127   15.546  189.714   45.540  133.592  132.966  197.172   48.471   98.776   38.095  122.209   16.288 -23.43359 41.43151 
1 1 1  -22  -19    8 o  178.234   16.676  418.511   73.358  467.416  156.683  404.782   83.019  171.926   37.546  173.648   19.481 -1.721207 42.29946 
1 1 1  -22  -19    9 o  174.409   13.914  395.694   60.097  366.817  154.105  400.873   65.264  147.094   40.616  174.946   15.086 -27.85246 43.32758 
1 1 1  -22  -19   10 o  125.165   15.161  207.247   46.419  115.860  143.787  217.879   49.045   93.301   38.372  128.144   15.652 -34.84319 41.44144 
1 1 1  -22  -19   11 o   90.836   16.752  112.243   36.600  267.334  148.588  102.226   37.764  121.357   41.141   86.024   18.150 35.33313 44.96655 
1 1 1  -22  -19   12 o  185.673   28.248  517.494  126.844   0.0000   0.0000  517.494  126.844  ?   ?   185.673   28.248 0.000000 28.24799 
1 1 1  -22  -19   13 o  141.212   31.341  318.780  107.631   0.0000   0.0000  318.780  107.631  ?   ?   141.212   31.341 0.000000 31.34057 
1 1 1  -22  -19   14 o  191.229   29.529  570.609  136.469   0.0000   0.0000  570.609  136.469  ?   ?   191.229   29.529 0.000000 29.52909 
1 1 1  -22  -19   15 o   89.997   32.461  135.449   93.367   0.0000   0.0000  135.449   93.367  ?   ?    89.997   32.461 0.000000 32.46112 
1 1 1  -22  -18    1 o  246.657   13.915  775.580   85.358  778.876  178.866  774.608   97.132  238.069   30.809  245.730   15.915 -7.660568 34.67696 
1 1 1  -22  -18    2 o  149.020   15.221  286.263   55.846   97.967  135.680  324.670   61.277   96.397   38.097  158.649   15.672 -62.25182 41.19480 
1 1 1  -22  -18    3 o  127.032   32.160  230.869  102.117   0.0000   0.0000  230.869  102.117  ?   ?   127.032   32.160 0.000000 32.16016 
1 1 1  -22  -18    4 o  149.316   14.708  287.522   54.131  145.064  139.041  312.971   58.768  105.199   39.324  155.637   15.319 -50.43813 42.20283 
1 1 1  -22  -18    5 o  339.054   14.528  1470.93  123.003  1568.25  240.240  1436.35  143.195  337.492   28.781  332.982   17.280 4.510345 33.56989 
1 1 1  -22  -18    6 o   89.421   17.189  106.684   36.988   64.244  123.620  110.857   38.764   86.211   35.532   91.042   17.688 -4.831207 39.69123 
1 1 1  -22  -18    7 o  284.097   13.256  1031.88   94.042  1335.24  200.740  946.587  106.445  312.182   25.986  270.343   15.837 41.83911 30.43131 
1 1 1  -22  -18    8 o  240.266   16.800  754.015  100.167  899.339  182.215  691.083  119.910  251.561   29.570  226.895   21.416 24.66640 36.51123 
1 1 1  -22  -18    9 f  193.641   13.646  484.378   65.565  466.124  160.513  488.034   71.831  171.759   38.389  193.724   14.964 -21.96567 41.20213 
1 1 1  -22  -18   10 o  175.612   13.496  399.510   58.733  494.335  159.385  384.611   63.178  176.701   37.293  171.619   14.889 5.081131 40.15508 
1 1 1  -22  -18   11 o  107.790   16.860  156.017   43.895   0.0000   0.0000  156.017   43.895  ?   ?   107.790   16.860 0.000000 16.85973 
1 1 1  -22  -18   12 o   63.657   19.728   55.324   34.601   38.881  138.440   56.420   35.735   80.453   35.440   64.267   20.070 16.18598 40.72852 
1 1 1  -22  -18   13 o  237.598   27.974  836.352  162.799   0.0000   0.0000  836.352  162.799  ?   ?   237.598   27.974 0.000000 27.97428 
1 1 1  -22  -18   14 f  173.399   29.403  460.743  122.768   0.0000   0.0000  460.743  122.768  ?   ?   173.399   29.403 0.000000 29.40282 
1 1 1  -22  -18   15 f  101.984   33.002  174.577   95.894   0.0000   0.0000  174.577   95.894  ?   ?   101.984   33.002 0.000000 33.00195 
1 1 1  -22  -18   16 f  144.639   32.338  345.721  113.871   0.0000   0.0000  345.721  113.871  ?   ?   144.639   32.338 0.000000 32.33838 
1 1 1  -22  -17    1 o  137.041   15.275  241.793   51.385  417.463  140.876  214.833   55.188  172.486   33.915  128.412   17.679 44.07393 38.24643 
1 1 1  -22  -17    2 o  190.573   14.467  464.187   68.333  406.711  148.537  479.616   76.960  168.534   36.361  193.209   16.098 -24.67557 39.76506 
1 1 1  -22  -17    3 o  148.515   14.200  282.868   52.021  410.987  135.135  260.578   56.365  171.032   32.834  141.923   16.194 29.10873 36.61046 
1 1 1  -22  -17    4 o   78.527   30.652   60.184   86.888   0.0000   0.0000   60.184   86.888  ?   ?    78.527   30.652 0.000000 30.65204 
1 1 1  -22  -17    5 o  181.822   13.609  422.867   61.344  434.591  150.272  420.522   67.198  173.055   35.948  180.849   15.015 -7.794418 38.95786 
1 1 1  -22  -17    6 o  152.054   14.282  297.592   53.594  340.618  140.770  290.298   57.959  151.187   37.474  149.687   15.741 1.500259 40.64606 
1 1 1  -22  -17    7 o  286.200   13.669  1045.49   97.692  1236.86  202.917  987.757  111.460  300.743   27.317  276.537   16.211 24.20541 31.76537 
1 1 1  -22  -17    8 o  137.864   14.639  246.354   49.627  203.026  134.091  253.231   53.421  116.112   39.084  139.455   15.608 -23.34258 42.08486 
1 1 1  -22  -17    9 o  105.898   17.808  149.660   45.420  224.943  132.908  139.705   48.330  120.406   38.841  101.523   19.774 18.88328 43.58501 
1 1 1  -22  -17   10 o  246.782   16.254  794.144   99.609   0.0000   0.0000  794.144   99.609  ?   ?   246.782   16.254 0.000000 16.25447 
1 1 1  -22  -17   11 o  103.883   39.165  161.280  138.499  161.280  138.499   0.0000   0.0000  103.883   39.165  ?   ?  0.000000 39.16516 
1 1 1  -22  -17   12 f  147.185   14.536  283.408   52.727  156.513  148.562  301.696   56.399  102.132   40.021  151.634   15.095 -49.50124 42.77324 
1 1 1  -22  -17   13 o   44.801   16.922   20.561   25.886  278.093  141.046   11.584   26.333  126.742   39.921   41.108   16.601 85.63440 43.23538 
1 1 1  -22  -17   14 o  133.725   31.771  280.583  104.525   0.0000   0.0000  280.583  104.525  ?   ?   133.725   31.771 0.000000 31.77083 
1 1 1  -22  -17   15 o  232.529   28.160  807.929  160.184   0.0000   0.0000  807.929  160.184  ?   ?   232.529   28.160 0.000000 28.16030 
1 1 1  -22  -17   16 o  210.128   28.854  673.708  147.408   0.0000   0.0000  673.708  147.408  ?   ?   210.128   28.854 0.000000 28.85383 
1 1 1  -22  -17   17 o  156.672   31.315  394.705  118.233   0.0000   0.0000  394.705  118.233  ?   ?   156.672   31.315 0.000000 31.31510 
1 1 1  -22  -16    1 o  156.339   14.273  312.319   55.107  301.116  139.914  314.376   59.953  144.875   38.148  156.528   15.544 -11.65350 41.19312 
1 1 1  -22  -16    2 f  299.843   13.792  1139.30  103.272  1344.30  203.075  1067.79  119.940  319.090   25.703  288.845   16.700 30.24506 30.65190 
1 1 1  -22  -16    3 o   77.145   18.619   79.369   35.459   76.431  116.741   79.667   37.217   89.562   35.357   77.226   19.341 12.33598 40.30092 
1 1 1  -22  -16    4 o  247.637   13.503  779.913   83.188  888.418  178.055  749.614   94.089  256.854   28.225  242.009   15.653 14.84541 32.27489 
1 1 1  -22  -16    5 o  247.942   26.373  823.614  160.786   0.0000   0.0000  823.614  160.786  ?   ?   247.942   26.373 0.000000 26.37336 
1 1 1  -22  -16    6 o  210.412   13.272  564.409   69.378  736.291  160.536  524.935   76.933  232.665   28.207  202.184   15.352 30.48204 32.11441 
1 1 1  -22  -16    7 o  121.069   14.970  189.935   44.294  128.125  128.864  198.216   47.168  100.885   37.829  123.516   15.643 -22.63128 40.93578 
1 1 1  -22  -16    8 o  307.489   14.038  1206.90  107.790  1367.09  216.938  1154.39  124.208  316.493   27.728  298.951   16.705 17.54245 32.37129 
1 1 1  -22  -16    9 o   71.206   19.022   68.420   34.465 -12.5580  130.120   74.530   35.741   75.988   33.866   74.226   19.154 1.761177 38.90750 
1 1 1  -22  -16   10 o  190.066   17.325  472.545   81.325  447.221  158.493  481.596   94.748  171.055   38.083  190.346   20.244 -19.29167 43.12928 
1 1 1  -22  -16   11 o   56.767   18.519   41.295   30.165  158.605  131.476   34.776   30.992  104.612   38.399   53.787   18.768 50.82471 42.74033 
1 1 1  -22  -16   12 o  117.876   15.640  183.047   44.901  122.044  138.545  190.207   47.462   96.812   38.422  119.946   16.265 -23.13441 41.72331 
1 1 1  -22  -16   13 o  155.691   14.021  315.460   53.927  345.093  152.398  311.219   57.657  143.247   40.693  154.103   15.180 -10.85657 43.43247 
1 1 1  -22  -16   14 o   76.086   17.849   79.550   33.328  133.056  143.075   76.480   34.270   96.763   38.831   74.420   18.516 22.34353 43.01914 
1 1 1  -22  -16   15 o  137.198   32.232  294.892  108.554   0.0000   0.0000  294.892  108.554  ?   ?   137.198   32.232 0.000000 32.23176 
1 1 1  -22  -16   16 o   96.103   33.097  147.125   96.228   0.0000   0.0000  147.125   96.228  ?   ?    96.103   33.097 0.000000 33.09719 
1 1 1  -22  -16   17 o   86.072   32.132  112.041   92.772   0.0000   0.0000  112.041   92.772  ?   ?    86.072   32.132 0.000000 32.13195 
1 1 1  -22  -16   18 o  158.301   31.728  402.750  121.053   0.0000   0.0000  402.750  121.053  ?   ?   158.301   31.728 0.000000 31.72762 
1 1 1  -22  -15    1 o  337.522   16.262  1448.62  137.067  1201.81  249.797  1554.94  163.954  296.817   34.335  348.099   18.932 -51.28214 39.20888 
1 1 1  -22  -15    2 o  225.463   13.348  644.997   74.818  667.966  156.602  638.204   85.166  223.249   28.759  223.699   15.339 -0.4494324 32.59361 
1 1 1  -22  -15    3 o   66.747   19.268   58.487   33.904   43.144  111.881   60.039   35.577   82.245   33.839   67.677   19.796 14.56810 39.20414 
1 1 1  -22  -15    4 o  126.699   14.947  206.585   46.382  205.995  125.339  206.679   49.926  120.989   37.555  126.407   16.188 -5.417458 40.89580 
1 1 1  -22  -15    5 o  215.792   26.581  622.565  140.208   0.0000   0.0000  622.565  140.208  ?   ?   215.792   26.581 0.000000 26.58067 
1 1 1  -22  -15    6 o  137.687   15.572  244.565   52.602   0.0000   0.0000  244.565   52.602  ?   ?   137.687   15.572 0.000000 15.57241 
1 1 1  -22  -15    7 o  185.603   14.330  440.799   65.904  321.758  149.523  469.501   73.420  147.312   39.734  191.194   15.511 -43.88136 42.65397 
1 1 1  -22  -15    8 f  150.982   15.007  293.707   55.831   72.100  140.058  335.573   60.876   92.381   37.918  161.387   15.288 -69.00564 40.88379 
1 1 1  -22  -15    9 o  283.226   13.450  1021.25   95.129  1184.15  203.716  975.825  107.578  294.666   28.022  275.486   15.703 19.18024 32.12221 
1 1 1  -22  -15   10 o  194.777   13.920  486.803   67.261  534.831  155.927  475.823   74.553  192.738   33.620  191.861   15.698 0.8776093 37.10399 
1 1 1  -22  -15   11 o  228.065   16.893  676.572   95.528  755.467  175.454  643.330  113.888  230.570   31.280  220.002   20.985 10.56816 37.66681 
1 1 1  -22  -15   12 o  201.459   14.180  523.497   70.884  461.967  162.894  537.870   78.729  172.601   38.743  203.539   15.608 -30.93834 41.76924 
1 1 1  -22  -15   13 o   99.921   16.311  132.730   39.295  155.690  136.465  130.654   41.033  103.587   38.912   98.779   17.263 4.808006 42.56926 
1 1 1  -22  -15   14 o   68.141   18.518   63.457   32.334  118.242  136.353   60.193   33.283   95.114   38.000   66.461   19.063 28.65257 42.51324 
1 1 1  -22  -15   15 o  105.116   15.900  147.287   40.432  192.986  147.031  143.548   42.054  108.680   40.475  103.347   16.878 5.332581 43.85300 
1 1 1  -22  -15   16 o  144.501   32.145  324.113  113.001   0.0000   0.0000  324.113  113.001  ?   ?   144.501   32.145 0.000000 32.14545 
1 1 1  -22  -15   17 o  105.672   33.599  181.384   99.729   0.0000   0.0000  181.384   99.729  ?   ?   105.672   33.599 0.000000 33.59915 
1 1 1  -22  -15   18 o  108.069   33.956  194.606  102.112   0.0000   0.0000  194.606  102.112  ?   ?   108.069   33.956 0.000000 33.95557 
1 1 1  -22  -15   19 o  125.166   33.812  263.317  108.176   0.0000   0.0000  263.317  108.176  ?   ?   125.166   33.812 0.000000 33.81155 
1 1 1  -22  -14    1 o  237.563   14.473  716.795   85.453  678.060  167.364  730.454   99.383  224.600   30.640  239.145   16.747 -14.54526 34.91798 
1 1 1  -22  -14    2 o  175.801   13.376  392.677   58.279  541.510  132.160  356.748   64.934  201.927   26.877  166.947   15.762 34.98083 31.15771 
1 1 1  -22  -14    3 o  113.277   16.000  166.075   44.001  239.975  118.440  154.243   47.393  130.776   35.401  108.560   18.121 22.21606 39.76931 
1 1 1  -22  -14    4 o  240.131   13.336  731.315   79.655  941.463  167.230  669.645   90.592  267.475   25.339  228.984   15.942 38.49173 29.93705 
1 1 1  -22  -14    5 o  160.223   13.917  327.515   55.129  229.504  131.033  348.596   60.769  127.240   38.188  165.084   14.902 -37.84380 40.99268 
1 1 1  -22  -14    6 o  330.788   28.442  1461.80  232.660   0.0000   0.0000  1461.80  232.660  ?   ?   330.788   28.442 0.000000 28.44231 
1 1 1  -22  -14    7 o  185.224   13.707  437.353   62.949  447.822  147.479  435.021   69.608  178.511   34.330  184.276   15.264 -5.764557 37.57079 
1 1 1  -22  -14    8 o   58.326   19.226   42.287   32.480   0.0000   0.0000   42.287   32.480  ?   ?    58.326   19.226 0.000000 19.22552 
1 1 1  -22  -14    9 f  285.857   31.506  1127.39  221.165  1127.39  221.165   0.0000   0.0000  285.857   31.506  ?   ?  0.000000 31.50574 
1 1 1  -22  -14   10 o   60.046   19.019   46.315   31.978  136.663  125.575   40.050   33.068  102.364   37.535   57.254   19.408 45.10971 42.25547 
1 1 1  -22  -14   11 o  250.552   13.411  802.041   83.607  1013.55  183.777  746.841   93.885  272.475   27.380  240.736   15.703 31.73865 31.56345 
1 1 1  -22  -14   12 o  206.237   16.515  552.293   84.340  679.061  164.660  507.205   98.200  219.081   30.960  195.633   20.401 23.44839 37.07755 
1 1 1  -22  -14   13 o  197.900   13.647  503.697   67.029  749.454  164.373  454.679   73.410  230.694   29.186  187.018   15.869 43.67581 33.22066 
1 1 1  -22  -14   14 o  108.639   16.019  155.943   42.153  233.453  141.684  148.415   44.153  120.961   40.168  105.441   17.374 15.51968 43.76407 
1 1 1  -22  -14   15 o  135.002   14.908  238.553   49.419  253.589  149.134  236.699   52.378  123.479   41.220  134.027   15.964 -10.54773 44.20289 
1 1 1  -22  -14   16 o  217.989   14.382  618.374   77.848  450.095  183.986  655.070   85.918  159.072   44.546  223.682   15.477 -64.60997 47.15832 
1 1 1  -22  -14   17 o  103.146   33.949  168.179  101.291   0.0000   0.0000  168.179  101.291  ?   ?   103.146   33.949 0.000000 33.94879 
1 1 1  -22  -14   18 o  330.836   32.041  1681.43  261.391   0.0000   0.0000  1681.43  261.391  ?   ?   330.836   32.041 0.000000 32.04079 
1 1 1  -22  -14   19 o  107.683   34.426  193.285  104.588   0.0000   0.0000  193.285  104.588  ?   ?   107.683   34.426 0.000000 34.42575 
1 1 1  -22  -14   20 o  131.751   34.274  291.127  113.834   0.0000   0.0000  291.127  113.834  ?   ?   131.751   34.274 0.000000 34.27363 
1 1 1  -22  -13    1 o  210.025   13.991  559.757   72.960  464.683  145.613  591.627   84.306  184.667   32.777  215.485   15.777 -30.81778 36.37613 
1 1 1  -22  -13    2 o  329.496   13.677  1371.51  112.538  1678.80  215.331  1256.04  131.999  359.440   24.130  313.932   16.900 45.50739 29.45957 
1 1 1  -22  -13    3 o  304.220   14.792  1171.90  112.371  1153.27  212.762  1179.11  132.334  294.644   29.305  303.831   17.516 -9.186920 34.14108 
1 1 1  -22  -13    4 o  129.240   14.676  214.137   46.525  153.165  118.371  225.277   50.597  108.150   36.720  132.382   15.605 -24.23171 39.89838 
1 1 1  -22  -13    5 o  189.897   13.342  457.958   62.869  594.782  142.484  424.880   70.057  211.222   27.679  182.322   15.535 28.89958 31.74101 
1 1 1  -22  -13    6 o  232.584   13.805  687.050   79.824  740.777  167.932  671.367   90.729  234.941   29.257  229.258   15.947 5.683365 33.32117 
1 1 1  -22  -13    7 o  167.779   28.712  381.953  115.971   0.0000   0.0000  381.953  115.971  ?   ?   167.779   28.712 0.000000 28.71197 
1 1 1  -22  -13    8 o   80.876   29.061   77.246   74.759   61.040  120.484   87.392   95.330   87.428   35.439   87.691   32.604 -0.2638321 48.15588 
1 1 1  -22  -13    9 o  172.361   14.211  379.851   60.622  317.643  146.660  392.670   66.575  147.265   39.191  174.913   15.399 -27.64870 42.10782 
1 1 1  -22  -13   10 o  116.817   15.665  177.171   44.545  135.072  127.911  182.981   47.519  103.053   37.868  118.505   16.506 -15.45201 41.30864 
1 1 1  -22  -13   11 o   74.856   19.080   75.269   35.773 -22.3867  125.443   83.914   37.323   74.307   33.175   79.003   19.123 -4.695427 38.29200 
1 1 1  -22  -13   12 o   86.750   19.847  101.689   42.062 -35.6614  129.484  117.893   44.474   73.326   33.138   93.580   19.657 -20.25407 38.52975 
1 1 1  -22  -13   13 o  242.744   14.648  757.511   88.377  794.420  187.576  746.980  100.195  235.942   32.717  239.952   16.828 -4.009445 36.79076 
1 1 1  -22  -13   14 o  159.191   14.143  327.255   55.637  393.982  148.632  316.382   59.999  160.460   37.728  155.945   15.617 4.515472 40.83243 
1 1 1  -22  -13   15 o  190.983   14.010  470.981   66.350  556.285  165.075  454.544   72.461  191.986   35.747  186.831   15.676 5.154495 39.03350 
1 1 1  -22  -13   16 o   77.836   18.652   82.927   35.780 -24.2507  136.413   90.845   37.078   74.203   33.725   81.517   18.623 -7.313423 38.52502 
1 1 1  -22  -13   17 o  269.808   29.228  1056.43  193.777   0.0000   0.0000  1056.43  193.777  ?   ?   269.808   29.228 0.000000 29.22776 
1 1 1  -22  -13   18 o  259.413   29.354  990.408  186.808   0.0000   0.0000  990.408  186.808  ?   ?   259.413   29.354 0.000000 29.35370 
1 1 1  -22  -13   19 o  223.786   29.279  746.754  159.698   0.0000   0.0000  746.754  159.698  ?   ?   223.786   29.279 0.000000 29.27911 
1 1 1  -22  -13   20 o  208.272   30.128  661.172  152.139   0.0000   0.0000  661.172  152.139  ?   ?   208.272   30.128 0.000000 30.12760 
1 1 1  -22  -13   21 o  280.307   30.991  1222.06  213.301   0.0000   0.0000  1222.06  213.301  ?   ?   280.307   30.991 0.000000 30.99087 
1 1 1  -22  -12    1 o  239.607   13.924  727.332   82.955  784.717  161.646  706.816   96.653  244.267   26.949  235.496   16.540 8.771408 31.62004 
1 1 1  -22  -12    2 o  135.881   13.914  235.545   46.546  363.888  117.589  211.699   50.686  164.258   29.763  128.247   16.187 36.01166 33.88058 
1 1 1  -22  -12    3 f  138.018   14.757  243.631   50.073  235.018  117.487  245.542   55.353  130.068   35.279  138.194   16.357 -8.125320 38.88644 
1 1 1  -22  -12    4 o  372.073   15.686  1755.22  145.743  1907.35  268.268  1691.52  173.595  380.403   28.446  363.417   19.197 16.98602 34.31784 
1 1 1  -22  -12    5 o   81.489   18.398   87.966   36.553  148.374  111.627   80.711   38.686  106.409   35.661   77.936   19.829 28.47298 40.80315 
1 1 1  -22  -12    6 o  246.404   14.294  770.979   87.577  751.687  173.578  777.566  101.434  236.746   30.036  246.758   16.557 -10.01276 34.29726 
1 1 1  -22  -12    7 o  279.788   27.086  1035.83  186.875   0.0000   0.0000  1035.83  186.875  ?   ?   279.788   27.086 0.000000 27.08584 
1 1 1  -22  -12    8 o  175.641   15.617  395.066   67.781   0.0000   0.0000  395.066   67.781  ?   ?   175.641   15.617 0.000000 15.61658 
1 1 1  -22  -12    9 o  180.660   13.652  415.743   61.136  501.079  145.970  397.589   67.326  190.942   31.727  176.156   15.461 14.78593 35.29364 
1 1 1  -22  -12   10 o   93.944   17.772  116.592   40.166  121.833  124.049  115.978   42.453  100.288   37.212   93.423   18.847 6.865479 41.71232 
1 1 1  -22  -12   11 o  200.844   13.284  513.936   66.250  646.569  157.319  485.344   73.042  217.389   29.761  194.567   15.153 22.82193 33.39650 
1 1 1  -22  -12   12 o  287.584   13.938  1052.69  100.097  1120.57  205.755  1031.64  114.568  286.552   29.160  283.296   16.263 3.256439 33.38854 
1 1 1  -22  -12   13 o  214.182   16.243  592.344   86.230  799.061  168.656  519.183  100.336  241.239   28.550  198.480   20.541 42.75888 35.17165 
1 1 1  -22  -12   14 o  342.445   14.956  1503.55  127.896  1811.92  250.664  1395.02  148.709  363.643   27.815  327.311   18.267 36.33243 33.27647 
1 1 1  -22  -12   15 o  313.656   14.504  1262.62  113.601  1409.36  232.272  1216.49  130.242  317.052   29.682  305.825   17.123 11.22766 34.26711 
1 1 1  -22  -12   16 o  262.979   14.231  891.528   93.111  1003.03  201.503  861.257  104.992  264.193   31.141  257.121   16.438 7.071533 35.21324 
1 1 1  -22  -12   17 o  122.349   16.169  197.751   48.190   94.139  147.349  210.160   50.994   92.946   38.592  126.000   16.612 -33.05351 42.01548 
1 1 1  -22  -12   18 o  185.177   30.507  506.270  136.159   0.0000   0.0000  506.270  136.159  ?   ?   185.177   30.507 0.000000 30.50731 
1 1 1  -22  -12   19 f  238.546   29.370  837.019  171.262   0.0000   0.0000  837.019  171.262  ?   ?   238.546   29.370 0.000000 29.37037 
1 1 1  -22  -12   20 o  128.769   35.170  271.567  116.289   0.0000   0.0000  271.567  116.289  ?   ?   128.769   35.170 0.000000 35.17030 
1 1 1  -22  -12   21 o  197.166   30.935  597.196  147.297   0.0000   0.0000  597.196  147.297  ?   ?   197.166   30.935 0.000000 30.93454 
1 1 1  -22  -12   22 o  172.707   33.089  478.940  137.513   0.0000   0.0000  478.940  137.513  ?   ?   172.707   33.089 0.000000 33.08942 
1 1 1  -22  -11    1 o  203.808   11.341  523.973   57.491  523.946   80.792  524.000   81.826  202.768   16.088  202.724   16.301 0.4423523E-01 22.90308 
1 1 1  -22  -11    2 o  206.477   9.9305  535.309   51.203  516.326   72.321  554.388   72.503  201.653   14.458  209.102   13.965 -7.449249 20.10116 
1 1 1  -22  -11    3 o  160.943   13.512  329.081   53.804  388.458  121.763  314.675   59.978  169.928   29.780  156.925   15.508 13.00287 33.57638 
1 1 1  -22  -11    4 o  278.435   12.638  977.198   87.869  1381.48  178.669  848.220  100.917  327.272   21.990  258.289   15.721 68.98380 27.03138 
1 1 1  -22  -11    5 o  144.223   14.475  265.570   51.428  331.647  125.606  252.262   56.370  155.173   33.404  140.077   16.427 15.09511 37.22420 
1 1 1  -22  -11    6 o  402.292   20.551  2079.68  205.768   0.0000   0.0000  2079.68  205.768  ?   ?   402.292   20.551 0.000000 20.55120 
1 1 1  -22  -11    7 o  226.169   30.131  686.295  165.944  686.295  165.944   0.0000   0.0000  226.169   30.131  ?   ?  0.000000 30.13139 
1 1 1  -22  -11    8 o  174.130   29.333  409.897  123.016   0.0000   0.0000  409.897  123.016  ?   ?   174.130   29.333 0.000000 29.33282 
1 1 1  -22  -11    9 o   65.678   19.723   56.051   34.945   10.476  116.003   60.600   36.647   77.736   33.347   68.084   20.142 9.651436 38.95820 
1 1 1  -22  -11   10 o   86.083   18.384   98.356   38.318   72.660  119.684  101.291   40.447   89.694   35.675   87.238   19.096 2.455795 40.46486 
1 1 1  -22  -11   11 o  167.488   14.304  358.676   59.254  399.780  145.459  350.498   64.881  167.664   35.829  165.092   15.936 2.572159 39.21288 
1 1 1  -22  -11   12 o  187.258   13.682  447.473   63.536  532.260  151.101  429.262   70.028  195.745   32.019  182.836   15.483 12.90968 35.56617 
1 1 1  -22  -11   13 o  233.631   13.689  696.351   79.518  927.380  178.862  639.439   88.774  261.610   27.805  222.954   16.052 38.65649 32.10584 
1 1 1  -22  -11   14 o  138.208   16.577  248.736   56.071  470.226  146.615  210.791   60.684  181.317   33.619  125.904   19.968 55.41288 39.10147 
1 1 1  -22  -11   15 o  192.556   14.161  476.362   67.617  534.034  162.647  464.311   74.346  191.171   35.373  189.418   15.864 1.753677 38.76712 
1 1 1  -22  -11   16 o   93.572   18.182  117.518   40.955   44.346  140.669  124.295   42.810   86.090   36.821   96.196   18.493 -10.10612 41.20380 
1 1 1  -22  -11   17 o  300.139   14.613  1159.87  109.526  1167.15  225.393  1157.62  125.317  283.766   32.388  297.905   16.915 -14.13937 36.53885 
1 1 1  -22  -11   18 o  140.568   15.090  258.390   52.141  208.800  157.577  264.487   55.253  114.308   42.026  141.905   15.864 -27.59676 44.92065 
1 1 1  -22  -11   19 o   91.183   33.829  116.810  102.514   0.0000   0.0000  116.810  102.514  ?   ?    91.183   33.829 0.000000 33.82872 
1 1 1  -22  -11   20 o   89.769   33.841  114.163  103.399   0.0000   0.0000  114.163  103.399  ?   ?    89.769   33.841 0.000000 33.84129 
1 1 1  -22  -11   21 o  113.689   35.321  212.300  110.838   0.0000   0.0000  212.300  110.838  ?   ?   113.689   35.321 0.000000 35.32064 
1 1 1  -22  -11   22 o  222.813   30.948  759.870  167.545   0.0000   0.0000  759.870  167.545  ?   ?   222.813   30.948 0.000000 30.94782 
1 1 1  -22  -10    1 o  385.763   14.065  1878.08  135.495  1913.11  191.378  1842.87  191.862  386.819   19.879  379.433   20.323 7.385712 28.42897 
1 1 1  -22  -10    2 o  241.959   11.246  736.075   67.953  698.815   95.744  773.896   96.461  234.278   16.470  246.801   15.733 -12.52328 22.77728 
1 1 1  -22  -10    3 o  258.558   10.895  840.265   70.344  846.436  100.000  834.221   98.972  258.165   15.584  256.303   15.537 1.862671 22.00610 
1 1 1  -22  -10    4 o  212.378   10.430  566.671   55.313  612.358   79.004  522.745   77.467  219.686   14.482  202.679   15.422 17.00735 21.15562 
1 1 1  -22  -10    5 o   89.894   18.652  106.590   40.498 -11.0022  114.555  123.386   43.294   74.475   32.536   96.897   18.568 -22.42202 37.46172 
1 1 1  -22  -10    6 o  130.125   25.853  226.824   81.049  284.899  119.927  178.001  109.960  143.518   33.987  114.488   35.117 29.02974 48.87033 
1 1 1  -22  -10    7 o  183.417   13.269  426.784   60.366  482.437  137.089  413.397   67.236  189.421   29.980  180.083   15.090 9.338104 33.56339 
1 1 1  -22  -10    8 o  123.677   33.702  211.909  106.924   0.0000   0.0000  211.909  106.924  ?   ?   123.677   33.702 0.000000 33.70161 
1 1 1  -22  -10    9 o   88.693   33.161   86.116   98.883   0.0000   0.0000   86.116   98.883  ?   ?    88.693   33.161 0.000000 33.16091 
1 1 1  -22  -10   10 o  267.345   13.444  906.151   89.469  1189.19  186.578  821.633  101.956  301.021   25.048  253.669   16.179 47.35176 29.81910 
1 1 1  -22  -10   11 o  329.486   14.749  1378.02  121.355  1497.56  232.797  1333.42  142.205  335.424   28.050  322.490   17.726 12.93359 33.18192 
1 1 1  -22  -10   12 o  122.678   15.405  194.398   46.153  294.321  134.738  181.115   49.125  142.893   37.344  117.867   17.196 25.02665 41.11343 
1 1 1  -22  -10   13 o  187.549   14.269  449.642   66.325  504.071  158.533  438.095   73.022  188.705   34.929  184.561   16.002 4.143982 38.41999 
1 1 1  -22  -10   14 o  212.442   16.214  581.120   85.366  794.797  167.284  505.884   99.263  241.772   28.240  196.325   20.552 45.44699 34.92620 
1 1 1  -22  -10   15 o   83.815   19.477   94.707   39.989  221.939  133.290   82.122   41.920  122.471   38.833   77.921   21.048 44.54975 44.17007 
1 1 1  -22  -10   16 o   84.660   18.326   96.346   37.619  161.252  134.241   90.814   39.190  107.482   38.899   81.908   19.450 25.57379 43.49091 
1 1 1  -22  -10   17 o  131.119   15.220  223.863   48.906  336.752  150.883  210.610   51.697  146.580   40.073  126.579   16.768 20.00013 43.43940 
1 1 1  -22  -10   18 o  100.925   16.764  135.461   40.766  205.686  151.236  129.958   42.333  115.184   41.340   98.413   17.885 16.77130 45.04289 
1 1 1  -22  -10   19 o  232.723   13.572  698.586   78.533  918.567  191.382  654.045   86.117  251.123   31.190  224.082   15.485 27.04176 34.82243 
1 1 1  -22  -10   20 o  148.656   34.081  341.883  123.815   0.0000   0.0000  341.883  123.815  ?   ?   148.656   34.081 0.000000 34.08117 
1 1 1  -22  -10   21 o  162.291   33.587  408.788  131.633   0.0000   0.0000  408.788  131.633  ?   ?   162.291   33.587 0.000000 33.58721 
1 1 1  -22  -10   22 o  150.423   34.946  363.923  128.764   0.0000   0.0000  363.923  128.764  ?   ?   150.423   34.946 0.000000 34.94619 
1 1 1  -22  -10   23 o  109.929   36.613  204.866  117.685   0.0000   0.0000  204.866  117.685  ?   ?   109.929   36.613 0.000000 36.61301 
1 1 1  -22   -9    1 o  322.498   11.888  1308.31   95.742  1318.63  135.406  1298.00  135.394  322.129   16.892  319.546   17.029 2.582916 23.98562 
1 1 1  -22   -9    2 o  185.039   10.865  431.665   49.985  442.770   70.113  420.186   71.282  186.571   15.180  181.560   15.882 5.010284 21.96993 
1 1 1  -22   -9    3 o  287.009   11.475  1035.87   82.244  1044.01  116.506  1027.78  116.117  286.647   16.344  284.380   16.421 2.267670 23.16813 
1 1 1  -22   -9    4 o  231.930   11.008  676.120   63.754  658.751   90.001  693.614   90.325  227.573   15.938  233.640   15.570 -6.067581 22.28119 
1 1 1  -22   -9    5 o  150.213   11.673  285.560   43.444  297.165   61.856  274.261   61.031  152.254   16.535  146.078   17.052 6.175629 23.75216 
1 1 1  -22   -9    6 o  176.829   11.171  394.749   49.077  391.182   69.269  398.345   69.541  175.013   16.028  176.642   15.937 -1.629471 22.60231 
1 1 1  -22   -9    7 o  334.805   14.880  1417.96  124.404  1612.03  232.426  1340.03  147.276  351.085   26.711  323.926   18.282 27.15930 32.36814 
1 1 1  -22   -9    8 o   71.503   19.729   67.386   36.376   42.979  112.469   70.237   38.443   83.014   34.015   72.996   20.334 10.01830 39.62957 
1 1 1  -22   -9    9 f  385.346   30.723  1975.86  293.186   0.0000   0.0000  1975.86  293.186  ?   ?   385.346   30.723 0.000000 30.72317 
1 1 1  -22   -9   10 o  322.469   14.796  1317.45  119.148  1387.08  228.067  1291.31  139.732  323.540   28.520  317.814   17.676 5.725220 33.55358 
1 1 1  -22   -9   11 o  350.483   15.541  1560.09  136.019  1686.46  254.448  1509.54  160.944  356.160   28.857  342.911   18.868 13.24939 34.47780 
1 1 1  -22   -9   12 o  184.512   14.127  433.934   64.598  468.014  149.535  426.115   71.626  183.518   33.878  182.342   15.889 1.175446 37.41869 
1 1 1  -22   -9   13 o  258.948   13.220  851.398   85.204  1178.95  183.369  761.201   96.223  298.939   24.787  243.903   15.885 55.03632 29.44041 
1 1 1  -22   -9   14 f  240.114   14.501  735.970   86.544  902.731  186.829  690.411   97.653  257.680   29.570  231.587   17.005 26.09332 34.11069 
1 1 1  -22   -9   15 o  288.314   17.124  1071.23  122.735  1383.48  211.316  912.268  150.772  321.016   26.600  262.559   23.235 58.45651 35.31948 
1 1 1  -22   -9   16 o  200.847   14.122  516.901   70.381  729.578  165.842  470.183   77.728  229.747   29.594  190.621   16.491 39.12581 33.87907 
1 1 1  -22   -9   17 o  103.284   17.567  141.495   43.687  110.648  143.154  144.663   45.875   98.316   39.045  104.219   18.294 -5.902702 43.11806 
1 1 1  -22   -9   18 o  100.687   16.855  134.468   40.882  301.744  146.872  120.419   42.564  138.571   40.133   94.571   18.686 43.99977 44.26955 
1 1 1  -22   -9   19 o  248.171   13.721  792.545   84.706  850.219  195.318  779.184   94.006  240.743   33.388  245.104   15.438 -4.360855 36.78416 
1 1 1  -22   -9   20 o  191.419   31.416  538.257  144.958   0.0000   0.0000  538.257  144.958  ?   ?   191.419   31.416 0.000000 31.41559 
1 1 1  -22   -9   21 o  107.713   35.495  181.808  110.712   0.0000   0.0000  181.808  110.712  ?   ?   107.713   35.495 0.000000 35.49451 
1 1 1  -22   -9   22 o  124.288   36.206  251.887  119.226   0.0000   0.0000  251.887  119.226  ?   ?   124.288   36.206 0.000000 36.20578 
1 1 1  -22   -9   23 o  139.149   36.038  317.860  126.222   0.0000   0.0000  317.860  126.222  ?   ?   139.149   36.038 0.000000 36.03793 
1 1 1  -22   -9   24 o  169.514   34.097  459.650  139.334   0.0000   0.0000  459.650  139.334  ?   ?   169.514   34.097 0.000000 34.09696 
1 1 1  -22   -8    1 o  363.337   13.054  1662.85  118.444  1699.51  167.518  1626.20  167.493  365.301   18.423  357.153   18.847 8.147858 26.35526 
1 1 1  -22   -8    2 o  411.240   13.274  2131.03  136.312  2098.19  192.640  2163.97  192.909  406.122   18.995  412.547   18.725 -6.424530 26.67290 
1 1 1  -22   -8    3 o  163.082   10.881  335.606   44.058  341.331   61.331  329.500   63.333  163.672   15.178  160.604   16.005 3.068359 22.05758 
1 1 1  -22   -8    4 f  261.640   15.677  868.944  101.955   0.0000   0.0000  868.944  101.955  ?   ?   261.640   15.677 0.000000 15.67683 
1 1 1  -22   -8    5 o  178.060   15.547  403.997   68.437  403.997   68.437   0.0000   0.0000  178.060   15.547  ?   ?  0.000000 15.54720 
1 1 1  -22   -8    6 o  325.161   11.922  1330.55   96.802  1346.87  137.449  1314.48  136.354  325.423   16.973  321.451   17.047 3.972412 24.05584 
1 1 1  -22   -8    7 o  348.710   12.898  1532.65  112.313  1580.77  159.455  1485.27  158.220  352.068   18.199  341.061   18.648 11.00723 26.05660 
1 1 1  -22   -8    8 o  197.434   14.071  494.753   68.921  552.553  144.377  477.694   78.434  203.573   29.240  193.419   16.393 10.15392 33.52169 
1 1 1  -22   -8    9 o  167.827   29.948  380.133  120.906   0.0000   0.0000  380.133  120.906  ?   ?   167.827   29.948 0.000000 29.94778 
1 1 1  -22   -8   10 o  119.920   33.994  198.444  106.468   0.0000   0.0000  198.444  106.468  ?   ?   119.920   33.994 0.000000 33.99411 
1 1 1  -22   -8   11 o  335.734   14.670  1427.62  122.989  1698.00  235.613  1326.36  144.193  359.643   26.420  321.986   18.005 37.65717 31.97175 
1 1 1  -22   -8   12 o  143.885   14.969  265.295   52.998  220.487  130.109  274.208   58.030  125.295   38.155  145.997   16.190 -20.70221 41.44743 
1 1 1  -22   -8   13 o  343.957   14.671  1501.41  126.017  1716.53  242.388  1421.73  147.521  359.937   27.167  332.999   17.805 26.93854 32.48184 
1 1 1  -22   -8   14 o  324.299   14.390  1335.67  116.533  1472.29  230.036  1288.51  135.159  331.810   28.024  316.978   17.139 14.83206 32.84982 
1 1 1  -22   -8   15 o   63.163   19.750   51.421   34.593  255.892  132.070   36.359   35.845  132.542   37.961   56.575   20.145 75.96626 42.97544 
1 1 1  -22   -8   16 o  212.826   16.833  584.744   88.730  705.695  173.139  541.664  103.330  225.273   31.651  203.111   20.660 22.16127 37.79709 
1 1 1  -22   -8   17 f  275.644   14.246  972.144   97.723  1166.07  205.965  915.804  111.014  291.761   28.638  266.275   16.781 25.48621 33.19297 
1 1 1  -22   -8   18 o  216.840   13.377  601.923   72.084  900.911  177.200  542.635   78.908  255.450   28.251  204.960   15.532 50.48962 32.23964 
1 1 1  -22   -8   19 o  261.126   13.809  875.457   89.727  1216.85  204.862  794.420   99.810  295.995   28.051  247.409   16.245 48.58606 32.41520 
1 1 1  -22   -8   20 o  110.944   16.308  162.734   43.832  347.664  158.616  147.445   45.608  145.937   41.535  104.859   18.070 41.07822 45.29566 
1 1 1  -22   -8   21 o   94.627   34.834  126.283  108.303   0.0000   0.0000  126.283  108.303  ?   ?    94.627   34.834 0.000000 34.83363 
1 1 1  -22   -8   22 o  169.980   33.673  442.299  137.879   0.0000   0.0000  442.299  137.879  ?   ?   169.980   33.673 0.000000 33.67314 
1 1 1  -22   -8   23 o   99.183   36.157  151.862  116.284   0.0000   0.0000  151.862  116.284  ?   ?    99.183   36.157 0.000000 36.15707 
1 1 1  -22   -8   24 o  121.062   36.816  245.309  121.198   0.0000   0.0000  245.309  121.198  ?   ?   121.062   36.816 0.000000 36.81586 
1 1 1  -22   -8   25 o  181.850   34.879  532.783  152.628   0.0000   0.0000  532.783  152.628  ?   ?   181.850   34.879 0.000000 34.87905 
1 1 1  -22   -7    1 o  382.468   13.559  1843.53  129.500  1922.22  182.674  1764.04  183.611  388.884   18.811  371.671   19.855 17.21286 27.35055 
1 1 1  -22   -7    2 f  111.904   12.117  159.330   33.319  191.304   45.664  122.928   48.724  122.130   15.309   96.379   20.851 25.75127 25.86736 
1 1 1  -22   -7    3 o  373.671   12.600  1757.71  117.574  1746.99  166.117  1768.48  166.433  370.985   17.931  373.286   17.854 -2.301117 25.30430 
1 1 1  -22   -7    4 o  126.677   14.363  205.029   44.633  195.000   49.292  250.675  105.165  123.061   16.452  135.667   31.626 -12.60607 35.64895 
1 1 1  -22   -7    5 o   87.476   14.207   98.963   29.969  124.364   40.640   68.686   44.370   97.642   17.301   73.002   22.292 24.64072 28.21817 
1 1 1  -22   -7    6 o  137.658   11.502  239.915   39.176  218.559   53.399  264.808   57.651  130.289   16.804  143.712   16.356 -13.42245 23.44959 
1 1 1  -22   -7    7 o  286.792   11.960  1035.05   85.653  1071.61  121.386  998.796  120.878  290.243   16.820  280.002   17.373 10.24179 24.18138 
1 1 1  -22   -7    8 o  236.413   11.532  703.095   68.080  715.844   96.523  690.473   96.040  237.104   16.403  232.781   16.631 4.322937 23.35900 
1 1 1  -22   -7    9 o  321.661   12.788  1304.19  102.722  1308.67  145.856  1299.79  144.693  320.133   18.321  319.074   18.235 1.058624 25.84922 
1 1 1  -22   -7   10 o  114.675   33.848  179.515  103.596   0.0000   0.0000  179.515  103.596  ?   ?   114.675   33.848 0.000000 33.84809 
1 1 1  -22   -7   11 o  197.321   13.928  494.481   68.187  513.304  148.579  489.459   76.746  194.635   31.657  195.833   15.829 -1.197952 35.39413 
1 1 1  -22   -7   12 o  197.188   14.165  494.445   69.288  630.076  153.791  459.903   77.611  216.967   29.120  189.503   16.567 27.46408 33.50259 
1 1 1  -22   -7   13 o  353.050   15.477  1582.93  136.452  1770.49  256.672  1509.03  161.104  365.303   28.359  342.823   18.891 22.47940 34.07526 
1 1 1  -22   -7   14 o  253.779   13.800  818.241   87.126  969.584  182.057  773.284   99.226  269.822   27.400  245.867   16.253 23.95540 31.85752 
1 1 1  -22   -7   15 o  445.269   16.562  2532.52  184.151  3205.49  343.300  2260.65  218.199  489.964   28.177  417.378   21.002 72.58554 35.14287 
1 1 1  -22   -7   16 o  131.005   17.728  224.080   56.505  213.062  136.341  226.365   62.089  121.711   39.347  131.080   19.567 -9.369347 43.94432 
1 1 1  -22   -7   17 o  276.388   13.942  974.830   95.916  1082.79  199.522  942.382  109.385  281.866   28.749  270.692   16.257 11.17404 33.02711 
1 1 1  -22   -7   18 o  212.963   14.663  582.379   77.505  540.157  177.822  592.281   86.115  190.478   38.704  214.118   16.226 -23.63947 41.96783 
1 1 1  -22   -7   19 o  171.839   14.561  380.821   61.897  454.112  165.770  368.947   66.723  172.418   39.367  168.548   16.046 3.869583 42.51140 
1 1 1  -22   -7   20 o  102.785   17.148  140.442   42.465  267.096  151.843  129.696   44.230  129.461   41.490   98.146   18.730 31.31506 45.52160 
1 1 1  -22   -7   21 o  172.265   15.279  386.347   65.045  376.473  172.951  387.974   70.198  149.790   43.599  172.033   16.545 -22.24277 46.63238 
1 1 1  -22   -7   22 o  185.187   32.675  512.047  145.582   0.0000   0.0000  512.047  145.582  ?   ?   185.187   32.675 0.000000 32.67539 
1 1 1  -22   -7   23 o   73.421   31.855   24.318  108.227   0.0000   0.0000   24.318  108.227  ?   ?    73.421   31.855 0.000000 31.85523 
1 1 1  -22   -7   24 o  224.659   32.239  764.760  175.681   0.0000   0.0000  764.760  175.681  ?   ?   224.659   32.239 0.000000 32.23861 
1 1 1  -22   -7   25 o  204.584   33.189  649.614  163.746   0.0000   0.0000  649.614  163.746  ?   ?   204.584   33.189 0.000000 33.18866 
1 1 1  -22   -6    1 o  290.880   11.965  1064.03   86.914  1188.42  122.798  939.169  123.032  306.117   16.121  271.418   18.258 34.69971 24.35663 
1 1 1  -22   -6    2 o  448.861   14.579  2542.57  163.417  2591.22  230.712  2493.59  231.503  450.808   20.494  442.018   20.973 8.790253 29.32376 
1 1 1  -22   -6    3 o  312.344   14.768  1231.60  115.191  1224.66  213.798  1234.44  136.734  305.875   28.312  311.501   17.651 -5.626343 33.36296 
1 1 1  -22   -6    4 o  132.721   11.662  223.138   38.258  210.148   51.339  239.360   57.372  127.839   16.465  136.393   17.229 -8.553864 23.83082 
1 1 1  -22   -6    5 o  132.238   11.423  221.421   37.352  239.818   51.372  200.785   54.407  136.944   15.283  124.546   18.017 12.39811 23.62582 
1 1 1  -22   -6    6 o  425.856   14.860  2290.70  158.029  2409.69  223.826  2172.43  223.148  434.467   20.630  411.473   21.795 22.99420 30.01028 
1 1 1  -22   -6    7 o  325.208   12.975  1332.44  105.370  1374.05  148.999  1290.81  149.033  328.336   18.244  317.986   18.852 10.35010 26.23487 
1 1 1  -22   -6    8 o  189.012   10.290  449.963   48.385  401.430   67.003  502.849   69.944  177.546   15.261  199.104   14.160 -21.55862 20.81809 
1 1 1  -22   -6    9 o  318.920   11.633  1279.63   92.646  1250.37  131.375  1308.59  130.669  313.523   16.842  320.924   16.359 -7.400543 23.47909 
1 1 1  -22   -6   10 o   94.265   17.926  116.593   40.656  119.663   44.200   99.716  103.631   95.246   19.245   93.407   34.121 1.839386 39.17409 
1 1 1  -22   -6   11 o  268.416   27.837  950.421  183.874   0.0000   0.0000  950.421  183.874  ?   ?   268.416   27.837 0.000000 27.83708 
1 1 1  -22   -6   12 o  240.202   13.770  731.417   82.250  905.438  171.593  679.507   93.719  262.288   26.564  230.769   16.369 31.51907 31.20286 
1 1 1  -22   -6   13 o  272.360   14.602  942.140   98.955  915.799  193.361  951.487  115.180  261.491   30.165  272.904   16.985 -11.41275 34.61825 
1 1 1  -22   -6   14 o  256.061   14.323  833.303   91.217  944.333  188.266  799.243  104.273  265.858   28.819  249.930   16.805 15.92714 33.36085 
1 1 1  -22   -6   15 o  360.681   15.440  1654.73  139.065  1880.37  262.469  1566.67  163.972  375.661   28.184  348.897   18.890 26.76370 33.92949 
1 1 1  -22   -6   16 o  174.885   14.986  391.903   64.813  270.842  148.045  420.607   72.088  135.967   40.543  180.864   16.130 -44.89713 43.63391 
1 1 1  -22   -6   17 o  190.484   16.476  467.765   77.602  648.852  163.291  414.934   88.199  216.769   31.053  177.906   20.212 38.86270 37.05124 
1 1 1  -22   -6   18 o  124.497   15.952  201.569   48.453  354.926  145.364  182.401   51.391  154.791   37.908  117.676   18.066 37.11514 41.99276 
1 1 1  -22   -6   19 o  154.928   14.641  309.548   55.972  330.422  153.789  306.361   60.093  146.602   40.612  153.692   15.887 -7.090042 43.60831 
1 1 1  -22   -6   20 o  224.393   14.152  647.011   78.893  673.544  183.481  640.992   87.384  214.153   35.557  222.559   15.826 -8.405670 38.91972 
1 1 1  -22   -6   21 o  268.282   14.660  928.407   97.845  951.529  214.852  922.357  109.903  254.083   34.775  266.201   16.616 -12.11768 38.54047 
1 1 1  -22   -6   22 o  158.332   34.945  381.770  134.469   0.0000   0.0000  381.770  134.469  ?   ?   158.332   34.945 0.000000 34.94543 
1 1 1  -22   -6   23 o  341.605   33.101  1736.20  278.827   0.0000   0.0000  1736.20  278.827  ?   ?   341.605   33.101 0.000000 33.10121 
1 1 1  -22   -6   24 o  131.630   37.931  284.875  131.496   0.0000   0.0000  284.875  131.496  ?   ?   131.630   37.931 0.000000 37.93098 
1 1 1  -22   -6   25 o   74.517   32.370   29.562  112.026   0.0000   0.0000   29.562  112.026  ?   ?    74.517   32.370 0.000000 32.37006 
1 1 1  -22   -6   26 o  147.883   38.200  369.732  142.066   0.0000   0.0000  369.732  142.066  ?   ?   147.883   38.200 0.000000 38.20019 
1 1 1  -22   -5    1 o  164.973   11.503  343.676   47.091  387.195   65.120  295.973   68.178  174.484   15.094  151.645   18.379 22.83879 23.78287 
1 1 1  -22   -5    2 o  553.652   25.935  3955.64  358.572   0.0000   0.0000  3955.64  358.572  ?   ?   553.652   25.935 0.000000 25.93514 
1 1 1  -22   -5    3 o  284.167   18.775  1030.27  132.477  1030.27  132.477   0.0000   0.0000  284.167   18.775  ?   ?  0.000000 18.77468 
1 1 1  -22   -5    4 o  170.432   11.099  366.455   46.981  411.209   65.467  318.936   67.460  179.917   14.700  157.704   17.421 22.21246 22.79386 
1 1 1  -22   -5    5 o  112.877   12.396  162.214   34.367  199.498   46.989  119.334   50.393  124.739   15.413   94.803   21.748 29.93575 26.65606 
1 1 1  -22   -5    6 o  411.227   14.784  2135.32  151.822  2286.72  215.070  1984.94  214.350  423.450   20.339  393.298   21.912 30.15134 29.89650 
1 1 1  -22   -5    7 o  201.342   11.396  511.208   57.062  513.655   79.874  508.658   81.548  200.856   16.059  199.764   16.495 1.091202 23.02092 
1 1 1  -22   -5    8 o  142.566   11.414  257.151   40.294  247.626   55.710  267.598   58.349  138.916   16.374  144.458   16.469 -5.541519 23.22390 
1 1 1  -22   -5    9 o  211.378   10.715  562.806   56.375  543.770   78.743  582.825   80.748  206.806   15.357  214.181   15.196 -7.374893 21.60463 
1 1 1  -22   -5   10 o  179.541   15.973  411.361   70.868  439.341   85.539  350.121  126.550  184.849   18.792  160.141   32.750 24.70830 37.75845 
1 1 1  -22   -5   11 o  164.683   15.068  345.878   61.281  294.459   70.592  503.127  123.450  150.821   19.177  195.420   25.938 -44.59943 32.25723 
1 1 1  -22   -5   12 o  351.047   12.776  1554.09  112.001  1565.20  159.042  1543.16  157.753  350.051   18.257  347.579   18.239 2.471741 25.80654 
1 1 1  -22   -5   13 o  122.910   15.523  194.438   46.581  267.659  123.985  182.404   50.263  138.279   35.671  118.500   17.513 19.77892 39.73791 
1 1 1  -22   -5   14 o  298.567   13.598  1127.19  101.384  1496.03  203.542  1005.48  116.920  338.610   24.232  280.604   16.762 58.00549 29.46446 
1 1 1  -22   -5   15 o  320.120   15.279  1301.67  122.140  1175.12  231.371  1350.56  143.811  294.491   31.976  324.637   17.808 -30.14630 36.60008 
1 1 1  -22   -5   16 o  166.491   15.175  355.266   62.398  284.500  146.499  370.949   68.967  139.847   39.957  169.771   16.475 -29.92409 43.22058 
1 1 1  -22   -5   17 o  195.472   17.155  492.875   82.891  450.635  158.167  508.869   97.326  177.132   36.953  197.523   20.008 -20.39153 42.02189 
1 1 1  -22   -5   18 o   80.770   20.083   87.834   40.335  143.316  134.310   82.334   42.287  105.345   38.789   78.195   21.147 27.15010 44.17920 
1 1 1  -22   -5   19 o  113.088   16.287  167.242   44.668  186.882  137.453  164.923   47.231  114.348   39.546  111.921   17.470 2.427330 43.23320 
1 1 1  -22   -5   20 o  237.384   14.629  723.893   86.299  787.625  191.199  707.587   96.710  234.583   33.599  233.709   16.680 0.8738861 37.51139 
1 1 1  -22   -5   21 o  124.462   16.420  203.297   49.788  135.072  153.350  211.336   52.640  103.046   40.573  126.695   17.073 -23.64961 44.01850 
1 1 1  -22   -5   22 o  166.900   15.072  361.883   62.137  483.964  174.456  344.146   66.498  174.454   40.777  162.029   16.673 12.42543 44.05416 
1 1 1  -22   -5   23 o  312.084   32.001  1422.21  245.867   0.0000   0.0000  1422.21  245.867  ?   ?   312.084   32.001 0.000000 32.00107 
1 1 1  -22   -5   24 o  128.419   37.086  265.021  125.582   0.0000   0.0000  265.021  125.582  ?   ?   128.419   37.086 0.000000 37.08627 
1 1 1  -22   -5   25 f  216.731   33.080  712.722  173.362   0.0000   0.0000  712.722  173.362  ?   ?   216.731   33.080 0.000000 33.08017 
1 1 1  -22   -5   26 o  170.846   36.616  470.894  151.522   0.0000   0.0000  470.894  151.522  ?   ?   170.846   36.616 0.000000 36.61643 
1 1 1  -22   -5   27 o   67.369   30.940 -28.2722  118.800   0.0000   0.0000 -28.2722  118.800  ?   ?    67.369   30.940 0.000000 30.93960 
1 1 1  -22   -4    1 o   85.988   14.470   95.748   29.967   80.928   39.366  116.170   46.212   78.261   20.052   93.767   20.322 -15.50547 28.54999 
1 1 1  -22   -4    2 o  239.357   11.755  720.235   70.261  813.714   97.865  620.798  100.936  253.314   15.546  220.380   18.512 32.93410 24.17420 
1 1 1  -22   -4    3 o  378.696   12.693  1804.95  120.032  1836.59  168.670  1772.48  170.851  380.560   17.749  373.674   18.309 6.885986 25.49999 
1 1 1  -22   -4    4 o  282.870   11.714  1005.93   82.749  1081.33  116.238  928.448  117.826  292.000   16.002  270.068   17.566 21.93155 23.76224 
1 1 1  -22   -4    5 o  263.142   10.794  869.650   70.930  859.974   99.162  879.786  101.499  260.471   15.313  263.416   15.498 -2.945282 21.78702 
1 1 1  -22   -4    6 o  267.434   11.509  899.032   76.861  871.233  107.413  928.202  110.028  261.843   16.512  270.336   16.376 -8.493530 23.25533 
1 1 1  -22   -4    7 o  328.105   12.249  1354.57  100.363  1389.98  141.615  1318.83  142.256  330.704   17.208  321.920   17.765 8.784332 24.73227 
1 1 1  -22   -4    8 o  156.588   11.199  309.713   43.504  287.594   60.128  334.011   63.021  149.872   16.330  161.759   15.803 -11.88698 22.72496 
1 1 1  -22   -4    9 o  119.403   11.832  181.067   34.814  170.023   47.237  194.199   51.509  114.618   17.021  122.583   17.309 -7.964485 24.27522 
1 1 1  -22   -4   10 o  242.867   11.677  742.018   70.817  739.501   99.769  744.573  100.537  240.972   16.682  241.780   16.755 -0.8081512 23.64367 
1 1 1  -22   -4   11 o  214.386   14.999  583.957   79.793  482.233   95.568  818.079  144.986  193.345   20.087  251.096   23.392 -57.75084 30.83286 
1 1 1  -22   -4   12 o  125.251   12.201  199.426   37.676  203.865   51.475  194.304   55.295  125.670   16.825  122.164   18.722 3.505920 25.17147 
1 1 1  -22   -4   13 o  231.509   12.160  677.178   70.056  715.559   99.262  639.087   98.887  236.725   16.903  223.353   17.879 13.37148 24.60429 
1 1 1  -22   -4   14 o  399.554   15.251  2023.91  152.170  2290.12  281.487  1913.99  180.879  417.478   27.148  387.076   18.713 30.40247 32.97268 
1 1 1  -22   -4   15 o  187.839   14.577  449.717   67.840  429.334  149.961  454.962   76.069  175.270   35.480  188.455   16.325 -13.18510 39.05563 
1 1 1  -22   -4   16 o  142.450   14.890  260.309   52.184  454.200  140.370  229.214   56.213  181.578   32.133  132.925   17.348 48.65251 36.51698 
1 1 1  -22   -4   17 f  101.935   17.462  136.481   42.851  285.065  134.767  119.769   45.197  140.452   37.654   94.773   19.738 45.67924 42.51428 
1 1 1  -22   -4   18 o  123.018   17.655  197.904   52.680  400.930  142.781  165.912   56.679  167.510   35.249  111.369   21.154 56.14088 41.10949 
1 1 1  -22   -4   19 o  151.825   15.506  297.575   57.962  318.788  149.832  293.842   62.856  145.786   39.965  150.354   17.042 -4.567902 43.44671 
1 1 1  -22   -4   20 o  108.372   17.367  154.914   45.413  204.327  144.232  149.477   47.847  118.102   40.529  105.962   18.769 12.14029 44.66403 
1 1 1  -22   -4   21 o  150.866   14.670  294.211   54.570  391.683  157.047  280.826   58.196  159.672   39.584  146.844   16.136 12.82875 42.74662 
1 1 1  -22   -4   22 o  212.396   13.605  579.648   71.779  923.118  185.061  518.826   77.875  256.075   29.478  199.947   15.723 56.12723 33.40915 
1 1 1  -22   -4   23 o  144.999   15.671  274.966   55.842  347.419  167.184  265.868   59.245  144.482   43.084  141.975   17.051 2.506592 46.33582 
1 1 1  -22   -4   24 o  152.496   36.933  365.684  139.155   0.0000   0.0000  365.684  139.155  ?   ?   152.496   36.933 0.000000 36.93349 
1 1 1  -22   -4   25 o  330.031   33.490  1637.27  272.181   0.0000   0.0000  1637.27  272.181  ?   ?   330.031   33.490 0.000000 33.48954 
1 1 1  -22   -4   26 o   72.293   32.223   3.6328  117.832   0.0000   0.0000   3.6328  117.832  ?   ?    72.293   32.223 0.000000 32.22295 
1 1 1  -22   -3    1 o  146.078   17.188  273.857   61.500   0.0000   0.0000  273.857   61.500  ?   ?   146.078   17.188 0.000000 17.18826 
1 1 1  -22   -3    2 o  347.277   15.309  1523.23  132.760  1699.12  164.148  1190.60  225.739  365.992   17.960  300.651   30.489 65.34079 35.38564 
1 1 1  -22   -3    3 o  348.698   13.994  1532.88  121.854  1571.88  171.102  1492.73  173.579  350.976   19.600  341.679   20.437 9.297485 28.31722 
1 1 1  -22   -3    4 o  160.728   11.194  326.108   44.648  340.557   61.279  309.760   65.184  163.540   15.178  155.494   17.068 8.046722 22.84047 
1 1 1  -22   -3    5 o  219.737   11.534  608.523   63.066  620.985   87.758  595.213   90.693  221.044   16.007  216.156   16.937 4.888306 23.30441 
1 1 1  -22   -3    6 o  467.350   15.013  2758.17  175.215  2731.05  246.998  2785.63  248.593  462.375   21.392  467.009   21.316 -4.633820 30.19935 
1 1 1  -22   -3    7 o  168.321   11.723  357.925   48.967  371.940   67.960  342.793   70.617  170.733   16.131  163.513   17.570 7.220337 23.85192 
1 1 1  -22   -3    8 o  142.491   11.694  256.987   41.244  282.677   56.959  228.670   59.801  148.753   15.564  132.946   18.515 15.80664 24.18821 
1 1 1  -22   -3    9 f  404.165   13.967  2060.61  140.965  2035.49  199.210  2085.80  199.499  399.571   19.965  404.570   19.747 -4.999176 28.08078 
1 1 1  -22   -3   10 o  301.491   12.902  1145.17   97.135  1196.71  137.529  1093.87  137.211  306.388   18.055  292.601   18.879 13.78720 26.12299 
1 1 1  -22   -3   11 o  211.419   14.698  567.445   77.115  442.851   91.998  861.821  141.409  185.205   20.220  258.344   22.133 -73.13902 29.97895 
1 1 1  -22   -3   12 o   59.616   16.862   46.300   26.226   72.220   33.277   3.8065   42.606   73.910   18.160   48.514   20.487 25.39668 27.37697 
1 1 1  -22   -3   13 o  173.549   11.956  381.071   51.499  423.783   72.205  336.844   73.474  182.145   16.038  161.585   18.545 20.56039 24.51770 
1 1 1  -22   -3   14 o  232.236   11.281  678.880   65.420  707.770   92.596  650.087   92.441  235.704   15.823  225.648   16.520 10.05612 22.87562 
1 1 1  -22   -3   15 o  102.282   12.675  133.994   31.680  140.860   43.829  126.483   45.843  103.796   17.534   97.780   19.459 6.016373 26.19342 
1 1 1  -22   -3   16 o  219.190   14.546  611.721   79.167  529.583  163.423  636.907   90.494  195.247   34.794  223.113   16.356 -27.86528 38.44629 
1 1 1  -22   -3   17 o  143.313   14.947  263.667   52.706  395.080  139.409  241.751   56.931  167.693   34.444  136.589   17.063 31.10381 38.43847 
1 1 1  -22   -3   18 o  156.902   16.381  317.695   63.238  578.621  149.619  260.945   69.777  205.737   30.005  140.729   20.454 65.00780 36.31383 
1 1 1  -22   -3   19 o  145.026   17.656  273.993   62.623  248.861  144.205  279.834   69.521  129.880   40.277  145.915   19.573 -16.03484 44.78133 
1 1 1  -22   -3   20 o  157.289   15.259  319.171   59.179  279.414  153.497  326.112   64.137  135.668   41.470  158.604   16.432 -22.93616 44.60652 
1 1 1  -22   -3   21 o   89.011   18.504  106.311   39.789  232.695  149.938   96.737   41.268  123.966   41.329   84.508   19.887 39.45774 45.86434 
1 1 1  -22   -3   22 o  111.403   16.381  163.317   44.211  372.449  154.303  144.613   46.145  154.929   39.702  104.011   18.442 50.91789 43.77600 
1 1 1  -22   -3   23 o  196.656   15.166  501.277   73.904  541.714  182.795  493.376   80.802  185.546   40.581  194.280   16.821 -8.734070 43.92923 
1 1 1  -22   -3   24 o  279.551   31.618  1134.63  216.840   0.0000   0.0000  1134.63  216.840  ?   ?   279.551   31.618 0.000000 31.61773 
1 1 1  -22   -3   25 o  295.407   32.662  1292.46  236.911   0.0000   0.0000  1292.46  236.911  ?   ?   295.407   32.662 0.000000 32.66182 
1 1 1  -22   -3   26 o  174.456   38.195  489.812  161.784   0.0000   0.0000  489.812  161.784  ?   ?   174.456   38.195 0.000000 38.19514 
1 1 1  -22   -3   27 o  123.981   39.410  261.021  137.213   0.0000   0.0000  261.021  137.213  ?   ?   123.981   39.410 0.000000 39.40968 
1 1 1  -22   -3   28 o   65.058   30.397 -58.5325  122.283   0.0000   0.0000 -58.5325  122.283  ?   ?    65.058   30.397 0.000000 30.39688 
1 1 1  -22   -2    1 o  240.861   15.607  736.038   93.365  736.038   93.365   0.0000   0.0000  240.861   15.607  ?   ?  0.000000 15.60671 
1 1 1  -22   -2    2 o  380.552   14.319  1826.53  136.075  1894.46  191.153  1756.75  193.752  385.270   19.937  370.514   21.027 14.75662 28.97627 
1 1 1  -22   -2    3 f  406.737   14.548  2087.25  147.763  2054.77  207.162  2120.89  210.822  400.910   20.764  407.310   20.797 -6.399475 29.38747 
1 1 1  -22   -2    4 o  126.260   12.400  202.448   38.592  236.379   52.125  161.285   57.412  135.906   15.644  110.593   21.563 25.31223 26.64062 
1 1 1  -22   -2    5 o  247.597   11.219  770.244   69.366  824.607   96.598  712.369   99.670  255.076   15.235  236.580   16.984 18.49582 22.81547 
1 1 1  -22   -2    6 o  444.794   15.668  2500.72  174.035  2540.95  245.467  2460.05  246.783  445.701   22.055  437.726   22.654 7.975525 31.61682 
1 1 1  -22   -2    7 o  247.080   11.532  767.391   71.150  823.941   99.744  708.805  101.524  254.815   15.752  235.854   17.359 18.96117 23.44113 
1 1 1  -22   -2    8 f  140.629   11.594  250.289   40.354  280.198   55.554  216.878   58.716  148.169   15.231  129.370   18.719 18.79883 24.13277 
1 1 1  -22   -2    9 o  212.348   11.141  568.195   58.870  547.173   81.501  591.129   85.128  207.397   15.857  215.594   15.925 -8.197403 22.47279 
1 1 1  -22   -2   10 o  197.467   11.382  491.833   55.889  501.912   78.152  481.284   79.956  198.546   15.896  194.216   16.647 4.330917 23.01745 
1 1 1  -22   -2   11 o  279.818   18.046  999.022  125.423  1119.99  164.333  830.229  194.115  294.637   22.505  249.301   31.913 45.33623 39.05037 
1 1 1  -22   -2   12 o  179.689   15.342  411.390   68.183  364.749   79.990  535.333  130.395  168.082   19.415  201.540   26.556 -33.45850 32.89569 
1 1 1  -22   -2   13 o  157.321   12.192  313.565   47.522  338.529   66.095  286.849   68.375  162.556   16.512  148.916   18.806 13.63971 25.02592 
1 1 1  -22   -2   14 o  370.077   12.657  1727.09  116.966  1693.43  165.154  1760.97  165.678  364.560   18.141  371.882   17.841 -7.321991 25.44399 
1 1 1  -22   -2   15 o  111.986   12.420  160.055   34.146  150.668   46.116  171.447   50.805  107.391   17.821  114.573   18.378 -7.181908 25.59973 
1 1 1  -22   -2   16 o   73.999   15.236   71.953   27.217  103.800   37.092   34.804   40.061   88.786   17.351   57.614   21.189 31.17232 27.38690 
1 1 1  -22   -2   17 o  163.906   14.673  343.546   59.421  374.939  144.008  337.105   65.233  162.564   36.382  161.887   16.361 0.6762848 39.89154 
1 1 1  -22   -2   18 o  295.567   13.769  1108.01  101.627  1515.12  207.882  980.160  116.497  339.049   24.723  276.402   16.960 62.64706 29.98142 
1 1 1  -22   -2   19 o  124.509   17.958  202.936   54.221  323.218  141.595  182.268   58.695  148.687   37.994  116.962   20.861 31.72520 43.34426 
1 1 1  -22   -2   20 o  280.751   15.022  1009.05  104.936  1070.92  211.059  988.738  120.944  278.679   30.846  276.638   17.599 2.040894 35.51289 
1 1 1  -22   -2   21 o   50.910   19.096   26.093   32.842   34.917  136.217   25.548   33.840   84.943   36.279   51.098   19.337 33.84447 41.11069 
1 1 1  -22   -2   22 o  125.566   16.333  206.302   50.001  362.074  157.545  188.854   52.727  152.709   40.610  119.377   18.268 33.33175 44.52945 
1 1 1  -22   -2   23 o   76.289   20.027   79.345   38.638  161.118  154.505   73.890   39.906  107.588   41.173   73.702   20.784 33.88612 46.12115 
1 1 1  -22   -2   24 o   60.601   19.811   47.465   34.514  178.530  155.458   40.669   35.398  109.743   41.465   57.686   20.062 52.05651 46.06329 
1 1 1  -22   -2   25 o  259.935   32.261  991.910  204.908   0.0000   0.0000  991.910  204.908  ?   ?   259.935   32.261 0.000000 32.26125 
1 1 1  -22   -2   26 o  193.002   37.600  587.034  174.701   0.0000   0.0000  587.034  174.701  ?   ?   193.002   37.600 0.000000 37.59962 
1 1 1  -22   -2   27 o  149.103   39.519  370.303  149.520   0.0000   0.0000  370.303  149.520  ?   ?   149.103   39.519 0.000000 39.51949 
1 1 1  -22   -2   28 o  180.241   38.275  532.494  166.953   0.0000   0.0000  532.494  166.953  ?   ?   180.241   38.275 0.000000 38.27527 
1 1 1  -22   -2   29 o   99.662   38.649  158.848  137.443   0.0000   0.0000  158.848  137.443  ?   ?    99.662   38.649 0.000000 38.64870 
1 1 1  -22   -1    1 o  387.592   14.521  1895.45  140.544  1976.96  196.864  1810.72  200.709  393.487   20.102  375.950   21.468 17.53638 29.41018 
1 1 1  -22   -1    2 o  214.205   11.814  578.595   62.952  622.648   87.100  530.412   91.090  221.385   15.860  203.693   18.096 17.69124 24.06292 
1 1 1  -22   -1    3 o  263.370   12.454  872.747   81.910  941.614  114.423  800.366  117.307  272.184   16.918  250.294   18.908 21.88980 25.37181 
1 1 1  -22   -1    4 o  340.329   13.123  1458.56  111.530  1452.12  155.804  1465.34  159.724  337.667   18.548  339.063   18.940 -1.396606 26.50972 
1 1 1  -22   -1    5 o  330.843   12.561  1377.44  103.774  1364.84  145.071  1390.64  148.507  327.578   17.801  330.581   18.058 -3.003693 25.35677 
1 1 1  -22   -1    6 o  359.804   13.268  1630.72  119.213  1619.21  167.218  1642.61  170.000  356.474   18.852  358.978   19.032 -2.504486 26.78818 
1 1 1  -22   -1    7 o  261.168   11.956  857.823   77.978  864.182  109.025  851.163  111.575  260.697   16.837  258.564   17.381 2.132233 24.19907 
1 1 1  -22   -1    8 o  110.819   12.881  156.671   34.981  170.397   47.072  139.742   52.279  114.806   16.927  102.846   21.064 11.95942 27.02274 
1 1 1  -22   -1    9 o  266.822   12.116  895.717   80.726  902.348  113.201  888.855  115.152  266.281   17.115  264.145   17.557 2.135651 24.51870 
1 1 1  -22   -1   10 o  200.091   11.738  505.244   58.393  560.247   81.884  448.332   83.294  209.882   15.738  187.055   18.056 22.82733 23.95209 
1 1 1  -22   -1   11 o  223.313   17.243  636.310   95.410  759.226  121.146  435.551  154.826  243.141   20.134  177.861   36.092 65.28021 41.32827 
1 1 1  -22   -1   12 o  143.237   16.567  263.414   58.166  284.053   66.930  199.719  117.577  148.340   18.468  120.885   36.150 27.45454 40.59440 
1 1 1  -22   -1   13 o  128.745   12.050  210.491   38.290  248.034   52.753  168.689   55.665  139.160   15.441  113.242   20.436 25.91808 25.61370 
1 1 1  -22   -1   14 o  397.513   14.511  1998.39  144.041  1983.46  203.805  2013.30  203.605  392.870   20.848  395.919   20.665 -3.048706 29.35479 
1 1 1  -22   -1   15 o  274.924   11.866  952.313   81.464  991.251  115.281  913.475  115.134  278.810   16.633  267.368   17.338 11.44131 24.02641 
1 1 1  -22   -1   16 o  223.148   11.428  628.935   63.466  630.021   89.036  627.813   90.490  222.080   16.166  221.595   16.470 0.4853363 23.07833 
1 1 1  -22   -1   17 o   78.259   15.361   80.394   28.949   89.945   38.127   67.394   44.483   82.205   18.960   72.100   22.372 10.10500 29.32566 
1 1 1  -22   -1   18 o  203.743   11.425  525.359   57.892  496.290   82.013  554.228   81.730  196.447   16.882  208.017   15.853 -11.57043 23.15874 
1 1 1  -22   -1   19 o  275.822   18.021  980.816  123.440  1016.36  207.149  961.243  153.713  272.734   30.964  270.412   22.981 2.322510 38.56029 
1 1 1  -22   -1   20 o   78.278   20.284   82.452   39.973   3.6996  136.390   89.853   41.809   81.150   35.476   81.639   20.529 -0.4891357 40.98719 
1 1 1  -22   -1   21 o  132.346   15.547  227.102   50.403  406.727  149.392  204.029   53.542  166.394   36.919  124.669   17.695 41.72527 40.94017 
1 1 1  -22   -1   22 o  106.076   17.490  148.901   44.715  181.689  147.467  145.582   46.924  112.813   40.780  104.476   18.671 8.337456 44.85076 
1 1 1  -22   -1   23 o  249.342   14.600  800.109   90.509  926.046  201.121  768.127  101.352  254.450   32.386  243.126   16.797 11.32347 36.48280 
1 1 1  -22   -1   24 o  115.794   17.446  177.950   48.882  189.874  164.334  176.793   51.199  112.876   42.636  115.022   18.449 -2.146263 46.45649 
1 1 1  -22   -1   26 o   93.543   37.429  109.919  132.510   0.0000   0.0000  109.919  132.510  ?   ?    93.543   37.429 0.000000 37.42898 
1 1 1  -22   -1   27 o  201.126   35.342  624.093  171.029   0.0000   0.0000  624.093  171.029  ?   ?   201.126   35.342 0.000000 35.34246 
1 1 1  -22   -1   28 o  125.946   40.307  271.377  143.347   0.0000   0.0000  271.377  143.347  ?   ?   125.946   40.307 0.000000 40.30709 
1 1 1  -22   -1   29 o  179.344   39.670  541.273  172.954   0.0000   0.0000  541.273  172.954  ?   ?   179.344   39.670 0.000000 39.67030 
1 1 1  -22    0    1 o  558.903   18.434  3967.17  257.284  4156.67  363.015  3775.91  364.699  567.662   25.608  539.358   27.165 28.30408 37.33239 
1 1 1  -22    0    2 o  138.862   12.071  244.314   41.440  279.348   55.796  201.215   61.886  147.941   15.325  124.056   20.707 23.88565 25.76108 
1 1 1  -22    0    3 o  246.825   12.059  766.221   74.328  793.993  103.034  736.084  107.330  249.923   16.604  240.210   18.024 9.712524 24.50615 
1 1 1  -22    0    4 o  349.078   13.346  1535.06  116.336  1525.98  162.517  1544.61  166.607  346.028   18.879  348.001   19.247 -1.973541 26.96023 
1 1 1  -22    0    5 o  276.897   11.363  963.534   78.572  928.003  109.040  1001.91  113.318  270.375   16.225  280.970   16.220 -10.59583 22.94168 
1 1 1  -22    0    6 o  226.330   12.006  646.018   67.613  694.049   93.785  594.034   97.567  233.694   16.170  215.570   18.297 18.12415 24.41845 
1 1 1  -22    0    7 o  158.717   11.678  318.391   45.962  299.415   62.561  340.646   67.749  152.916   16.652  163.165   16.871 -10.24866 23.70524 
1 1 1  -22    0    8 o  179.381   11.132  405.847   49.619  387.538   67.623  427.203   73.032  174.397   15.696  183.069   16.140 -8.672470 22.51374 
1 1 1  -22    0    9 o   93.600   14.413  113.062   32.607  107.392   42.554  121.125   50.746   90.187   19.465   95.494   21.765 -5.306717 29.19937 
1 1 1  -22    0   10 o  281.998   16.786  1011.16  117.670  931.399  150.624  1136.07  188.492  268.607   22.667  295.460   25.806 -26.85330 34.34787 
1 1 1  -22    0   11 o  157.535   15.949  317.216   61.877  297.534   71.015  379.269  126.095  151.733   19.170  167.557   31.286 -15.82463 36.69234 
1 1 1  -22    0   12 o   69.103   19.126   62.694   34.125   62.828   36.191   61.619  102.465   69.333   19.876   84.425   33.189 -15.09191 38.68584 
1 1 1  -22    0   13 o  235.639   11.930  700.753   69.972  761.640   98.422  638.526   99.499  244.615   16.204  223.373   17.990 21.24162 24.21190 
1 1 1  -22    0   14 o  174.432   11.438  384.514   49.548  419.724   68.893  346.788   71.312  181.436   15.350  164.219   17.668 17.21709 23.40407 
1 1 1  -22    0   15 o  441.396   14.970  2467.40  165.007  2504.83  233.323  2429.95  233.387  441.640   21.156  434.794   21.495 6.846344 30.16012 
1 1 1  -22    0   16 o  180.542   11.551  412.297   51.805  373.564   71.666  454.685   74.972  170.496   17.062  188.535   16.078 -18.03874 23.44341 
1 1 1  -22    0   17 o  176.008   11.831  392.453   51.700  372.188   71.565  414.576   74.771  170.052   17.084  179.622   16.867 -9.570679 24.00719 
1 1 1  -22    0   18 o  121.945   12.395  189.784   37.220  214.114   50.600  161.098   54.943  128.706   16.095  110.091   20.746 18.61493 26.25757 
1 1 1  -22    0   19 o  332.060   18.035  1418.91  148.987  1846.06  243.556  1163.49  188.334  372.834   26.329  296.051   25.731 76.78314 36.81409 
1 1 1  -22    0   20 o   83.686   20.648   94.375   42.884  184.464  138.980   84.895   45.084  115.020   39.766   79.420   21.984 35.59969 45.43846 
1 1 1  -22    0   21 o   77.214   19.927   80.320   38.682   74.099  135.418   80.872   40.364   91.685   37.418   77.441   20.537 14.24432 42.68353 
1 1 1  -22    0   22 o  168.402   14.824  365.433   61.706  550.310  163.008  334.510   66.667  195.248   34.704  160.315   16.908 34.93285 38.60388 
1 1 1  -22    0   23 o  351.960   15.129  1590.73  132.972  2041.22  267.713  1443.19  153.207  385.228   28.021  332.506   18.525 52.72214 33.59113 
1 1 1  -22    0   24 o  123.748   17.730  202.854   53.225   0.0000   0.0000  202.854   53.225  ?   ?   123.748   17.730 0.000000 17.73029 
1 1 1  -22    0   25 o  128.509   16.940  218.156   53.037  420.910  169.492  196.149   55.841  160.927   41.801  120.854   19.141 40.07325 45.97480 
1 1 1  -22    0   26 o   98.905   37.993  135.953  131.872   0.0000   0.0000  135.953  131.872  ?   ?    98.905   37.993 0.000000 37.99307 
1 1 1  -22    0   27 o  111.259   39.295  197.470  136.120   0.0000   0.0000  197.470  136.120  ?   ?   111.259   39.295 0.000000 39.29500 
1 1 1  -22    0   28 o  109.463   39.916  194.038  141.731   0.0000   0.0000  194.038  141.731  ?   ?   109.463   39.916 0.000000 39.91572 
1 1 1  -22    0   29 o  147.230   42.706  385.302  166.197   0.0000   0.0000  385.302  166.197  ?   ?   147.230   42.706 0.000000 42.70620 
1 1 1  -22    0   30 o  178.519   41.099  552.950  179.425   0.0000   0.0000  552.950  179.425  ?   ?   178.519   41.099 0.000000 41.09892 
1 1 1  -22    1    1 o  295.193   12.895  1097.31   95.054  1236.69  132.358  948.866  136.597  311.948   17.056  272.114   20.247 39.83362 26.47316 
1 1 1  -22    1    2 o  260.619   11.845  854.150   77.090  879.857  106.784  826.169  111.407  263.186   16.328  254.638   17.629 8.547424 24.02885 
1 1 1  -22    1    3 o  200.165   11.262  505.054   56.065  516.985   76.844  491.476   81.982  201.709   15.372  196.286   16.890 5.422958 22.83751 
1 1 1  -22    1    4 o  282.207   12.516  1002.30   88.200  1007.83  122.613  996.372  126.968  281.398   17.536  279.556   18.288 1.842133 25.33719 
1 1 1  -22    1    5 o  237.405   11.414  708.381   67.670  730.178   93.626  684.539   97.919  239.830   15.720  231.847   17.032 7.983322 23.17762 
1 1 1  -22    1    6 o  197.887   11.352  493.737   55.861  547.763   76.970  433.611   81.199  207.756   14.936  184.032   17.895 23.72382 23.30892 
1 1 1  -22    1    7 o  146.529   11.728  271.664   42.555  290.660   57.294  248.289   63.555  150.900   15.421  138.557   18.858 12.34286 24.36066 
1 1 1  -22    1    8 o  269.619   11.535  913.905   77.666  913.251  107.943  914.608  111.832  268.165   16.195  268.199   16.782 -0.3448486E-01 23.32219 
1 1 1  -22    1    9 o  190.570   11.352  458.103   53.779  403.474   73.555  520.846   78.829  177.701   16.774  202.347   15.724 -24.64603 22.99167 
1 1 1  -22    1   10 o  366.757   18.933  1715.86  172.809  1576.49  229.869  1897.01  262.061  347.894   26.663  381.168   27.722 -33.27371 38.46277 
1 1 1  -22    1   11 o  360.623   20.761  1667.01  186.173  1911.04  251.903  1373.26  276.371  383.154   26.490  319.476   35.228 63.67792 44.07627 
1 1 1  -22    1   12 o  247.236   11.279  768.651   69.635  741.841   96.708  797.520  100.352  241.481   16.130  250.416   16.134 -8.934647 22.81377 
1 1 1  -22    1   13 o  254.330   12.236  814.642   77.711  816.406  108.368  812.774  111.498  252.976   17.257  252.234   17.816 0.7418365 24.80385 
1 1 1  -22    1   14 o  199.315   11.955  502.048   59.229  472.509   82.103  534.103   85.527  192.070   17.304  204.406   16.907 -12.33623 24.19237 
1 1 1  -22    1   15 o  433.763   14.166  2379.12  153.443  2355.87  216.725  2402.49  217.277  428.842   20.238  433.146   20.088 -4.303619 28.51451 
1 1 1  -22    1   16 o  104.091   13.264  139.008   33.694  163.909   45.061  107.431   50.744  112.413   16.547   89.527   22.673 22.88594 28.06933 
1 1 1  -22    1   17 o  260.592   12.674  857.721   82.477  878.342  115.943  836.596  117.351  261.674   17.850  255.080   18.550 6.593643 25.74330 
1 1 1  -22    1   18 o  130.758   12.203  217.755   39.386  210.548   53.573  226.232   58.103  127.304   17.300  131.798   18.134 -4.494392 25.06260 
1 1 1  -22    1   19 f  353.845   15.520  1595.00  137.140  1974.40  256.776  1443.59  162.213  385.372   26.850  334.193   19.522 51.17871 33.19715 
1 1 1  -22    1   20 o  216.745   17.130  605.736   91.961  693.992  170.558  569.563  109.192  224.357   31.295  208.358   21.285 15.99895 37.84721 
1 1 1  -22    1   21 o  234.784   15.156  706.783   88.388  716.732  182.898  703.752  100.959  225.668   33.470  233.289   17.457 -7.620758 37.74892 
1 1 1  -22    1   22 o  206.341   14.462  546.268   74.048  704.005  177.296  512.940   81.496  223.124   32.799  199.095   16.541 24.02988 36.73392 
1 1 1  -22    1   23 o  312.692   18.025  1272.37  140.152   0.0000   0.0000  1272.37  140.152  ?   ?   312.692   18.025 0.000000 18.02498 
1 1 1  -22    1   24 o  138.409   42.920  308.626  163.750  308.626  163.750   0.0000   0.0000  138.409   42.920  ?   ?  0.000000 42.91998 
1 1 1  -22    1   25 o  128.236   16.944  216.994   52.930  361.344  167.999  201.086   55.770  148.266   42.917  122.622   18.814 25.64458 46.85958 
1 1 1  -22    1   26 o  139.706   39.215  313.468  142.410   0.0000   0.0000  313.468  142.410  ?   ?   139.706   39.215 0.000000 39.21535 
1 1 1  -22    1   27 o   81.921   35.197   44.257  129.590   0.0000   0.0000   44.257  129.590  ?   ?    81.921   35.197 0.000000 35.19740 
1 1 1  -22    1   28 o  114.873   40.196  216.922  142.208   0.0000   0.0000  216.922  142.208  ?   ?   114.873   40.196 0.000000 40.19637 
1 1 1  -22    1   29 o  145.933   41.782  369.711  160.020   0.0000   0.0000  369.711  160.020  ?   ?   145.933   41.782 0.000000 41.78248 
1 1 1  -22    1   30 o  197.613   40.738  662.282  194.349   0.0000   0.0000  662.282  194.349  ?   ?   197.613   40.738 0.000000 40.73765 
1 1 1  -22    2    1 o  332.430   12.712  1391.58  105.531  1457.09  146.680  1321.28  151.946  338.489   17.412  321.725   18.997 16.76413 25.76942 
1 1 1  -22    2    2 o  184.252   11.634  428.542   53.254  439.932   72.217  414.966   78.845  185.876   15.705  179.992   17.774 5.883911 23.71838 
1 1 1  -22    2    3 o  244.787   11.425  753.237   69.836  808.873   96.484  692.016  101.212  252.528   15.373  232.943   17.528 19.58536 23.31429 
1 1 1  -22    2    4 f  143.003   12.140  259.090   42.942  286.121   57.989  226.266   63.900  149.625   15.757  131.854   20.038 17.77110 25.49082 
1 1 1  -22    2    5 o  217.741   11.288  597.439   61.169  596.611   83.655  598.391   89.670  216.702   15.563  216.747   16.696 -0.4476929E-01 22.82406 
1 1 1  -22    2    6 o  605.427   19.315  4665.07  292.023  4614.89  411.534  4715.96  414.446  596.269   27.638  602.853   27.530 -6.584045 39.01006 
1 1 1  -22    2    7 o  356.929   13.806  1606.46  123.057  1649.00  172.395  1562.27  175.712  359.467   19.275  349.480   20.220 9.986786 27.93556 
1 1 1  -22    2    8 o  215.568   12.094  586.466   64.840  611.014   90.021  560.000   93.472  219.042   16.580  209.258   18.065 9.784348 24.52023 
1 1 1  -22    2    9 o  452.886   22.351  2628.84  252.779  2578.46  345.278  2687.04  371.081  442.008   31.487  449.860   33.268 -7.852295 45.80656 
1 1 1  -22    2   10 o  127.011   18.316  209.025   56.413  268.938   64.172   5.2388  118.352  144.402   18.200   78.422   33.664 65.97953 38.26877 
1 1 1  -22    2   11 o  294.488   18.054  1106.14  132.124  1147.94  171.869  1045.74  206.589  297.976   23.283  281.233   29.874 16.74225 37.87510 
1 1 1  -22    2   12 o  237.937   11.855  712.490   70.441  719.049   98.138  705.518  101.169  237.569   16.648  235.109   17.354 2.460419 24.04809 
1 1 1  -22    2   13 o  107.982   13.048  149.102   34.470  143.647   45.835  156.204   52.296  104.836   18.166  108.992   19.949 -4.156136 26.98130 
1 1 1  -22    2   14 o   79.026   15.820   81.874   30.130   63.530   39.180  108.423   47.135   69.920   20.859   90.211   21.270 -20.29034 29.79063 
1 1 1  -22    2   15 o  290.306   12.511  1062.76   90.696  1057.23  127.534  1068.42  129.007  287.570   17.848  289.050   17.962 -1.480530 25.32106 
1 1 1  -22    2   16 o  223.626   11.626  631.731   64.697  604.061   90.028  661.282   93.039  217.314   16.718  227.501   16.489 -10.18660 23.48124 
1 1 1  -22    2   17 o  263.271   12.733  875.502   83.708  912.840  117.582  837.132  119.196  266.834   17.747  255.053   18.848 11.78134 25.88865 
1 1 1  -22    2   18 o  281.072   12.138  997.629   85.198  1003.44  120.492  991.821  120.484  279.762   17.332  278.089   17.438 1.673615 24.58664 
1 1 1  -22    2   19 o  146.908   12.020  274.463   43.710  276.225   59.735  272.433   64.129  146.178   16.662  144.707   18.146 1.471207 24.63503 
1 1 1  -22    2   20 o  159.809   17.644  331.448   69.240  338.530  145.325  329.369   78.753  152.139   38.283  158.317   20.394 -6.178421 43.37617 
1 1 1  -22    2   21 o  126.198   12.372  203.684   38.487  187.635   51.988  223.148   57.250  119.504   17.977  130.498   18.051 -10.99387 25.47629 
1 1 1  -22    2   22 o  148.475   16.189  286.042   59.050  251.331  154.421  291.987   63.907  128.929   41.892  149.585   17.436 -20.65607 45.37586 
1 1 1  -22    2   23 o  146.732   16.647  280.784   59.918  413.430  161.147  259.504   64.545  164.618   39.668  140.131   18.930 24.48770 43.95350 
1 1 1  -22    2   24 o  164.614   16.403  353.163   66.529  393.118  171.588  346.094   72.175  156.807   42.678  162.203   18.129 -5.395950 46.36869 
1 1 1  -22    2   25 o  208.784   15.291  564.843   79.169  692.892  192.707  538.843   86.836  213.949   37.433  202.868   17.306 11.08141 41.23974 
1 1 1  -22    2   26 o   90.971   20.610  113.831   45.736   0.0000   0.0000  113.831   45.736  ?   ?    90.971   20.610 0.000000 20.61038 
1 1 1  -22    2   27 o   77.835   34.269   15.687  129.277   0.0000   0.0000   15.687  129.277  ?   ?    77.835   34.269 0.000000 34.26889 
1 1 1  -22    2   28 o   79.787   34.946   27.429  132.904   0.0000   0.0000   27.429  132.904  ?   ?    79.787   34.946 0.000000 34.94594 
1 1 1  -22    2   29 o  141.318   41.959  345.717  158.816   0.0000   0.0000  345.717  158.816  ?   ?   141.318   41.959 0.000000 41.95851 
1 1 1  -22    2   30 o  122.576   42.809  269.917  161.261   0.0000   0.0000  269.917  161.261  ?   ?   122.576   42.809 0.000000 42.80931 
1 1 1  -22    2   31 o   74.888   34.344 -14.7131  145.673   0.0000   0.0000 -14.7131  145.673  ?   ?    74.888   34.344 0.000000 34.34400 
1 1 1  -22    3    1 o  457.755   15.405  2650.16  176.093  2848.59  247.214  2445.77  250.894  472.015   20.973  435.706   23.142 36.30948 31.23209 
1 1 1  -22    3    2 o  363.126   13.415  1662.37  121.643  1654.11  169.621  1671.11  174.544  360.044   18.932  361.704   19.395 -1.659424 27.10333 
1 1 1  -22    3    3 o  112.742   13.358  162.393   36.876  153.430   48.323  174.891   57.062  108.428   18.511  115.437   20.548 -7.008995 27.65656 
1 1 1  -22    3    4 o  223.108   12.061  628.101   66.948  684.458   92.132  565.052   97.448  232.031   15.998  209.983   18.782 22.04842 24.67232 
1 1 1  -22    3    5 o  243.992   11.537  748.555   70.296  805.838   97.297  686.002  101.675  251.979   15.538  231.839   17.696 20.13925 23.54963 
1 1 1  -22    3    6 o  341.091   13.452  1466.58  114.581  1543.31  160.141  1386.10  164.012  347.967   18.496  329.125   20.051 18.84183 27.27911 
1 1 1  -22    3    7 f  221.113   11.718  616.593   64.473  625.164   89.550  607.368   92.901  221.629   16.295  218.202   17.189 3.427597 23.68463 
1 1 1  -22    3    8 o  111.730   19.115  163.112   51.417  192.544   56.985   34.210  119.257  121.538   19.430   83.640   34.723 37.89804 39.78937 
1 1 1  -22    3    9 o  237.657   17.598  720.743  103.696  820.278  130.852  552.708  170.017  252.530   20.939  201.434   35.074 51.09578 40.84850 
1 1 1  -22    3   10 o  169.404   16.575  367.023   69.221  378.395   81.058  336.391  133.037  171.333   19.280  156.240   34.970 15.09259 39.93309 
1 1 1  -22    3   11 o  128.311   12.456  209.248   39.409  162.266   51.151  277.868   61.818  111.399   19.073  147.026   17.160 -35.62726 25.65652 
1 1 1  -22    3   12 o  249.637   12.197  784.746   76.035  801.791  105.458  766.292  109.730  250.809   16.937  244.821   18.076 5.988327 24.77121 
1 1 1  -22    3   13 o  222.844   11.278  626.273   62.557  614.236   86.310  639.594   90.798  219.628   15.843  223.999   16.345 -4.370529 22.76346 
1 1 1  -22    3   14 o  286.892   12.619  1037.73   90.406  1087.93  126.636  985.561  129.105  291.972   17.449  277.380   18.749 14.59131 25.61195 
1 1 1  -22    3   15 o  140.301   12.202  249.944   42.326  261.486   57.284  236.065   62.815  142.604   16.384  134.655   19.226 7.948685 25.26020 
1 1 1  -22    3   16 o  227.186   11.911  652.377   67.341  645.250   93.790  659.962   96.749  224.581   16.846  227.029   17.193 -2.448151 24.07071 
1 1 1  -22    3   17 o  221.443   12.120  620.563   66.765  653.248   93.341  586.321   95.539  225.898   16.664  213.477   18.092 12.42081 24.59694 
1 1 1  -22    3   18 o  145.146   12.155  267.847   43.651  258.547   59.262  278.878   64.540  141.340   17.141  146.609   18.007 -5.268326 24.86107 
1 1 1  -22    3   19 o   75.308   15.993   74.939   29.148   89.769   37.717   52.948   45.929   82.028   18.813   66.286   22.863 15.74277 29.60870 
1 1 1  -22    3   20 o  145.214   18.053  274.756   64.053  331.003  139.852  259.825   72.055  150.934   37.316  140.045   21.273 10.88918 42.95370 
1 1 1  -22    3   21 o  114.291   12.790  167.658   35.877  184.462   48.141  146.667   53.805  118.883   16.675  104.364   21.365 14.51922 27.10146 
1 1 1  -22    3   22 o  104.303   20.635  146.365   51.843   0.0000   0.0000  146.365   51.843  ?   ?   104.303   20.635 0.000000 20.63471 
1 1 1  -22    3   23 f  200.353   13.279  513.586   66.060  534.086   85.349  482.955  104.330  202.790   17.011  190.116   22.406 12.67439 28.13188 
1 1 1  -22    3   24 o  132.243   17.472  230.239   56.287  204.560  156.798  234.038   60.307  116.903   42.079  132.868   18.693 -15.96448 46.04422 
1 1 1  -22    3   25 o  208.293   15.875  563.442   81.949  545.699  186.417  567.693   91.238  186.112   41.199  208.105   17.725 -21.99342 44.85059 
1 1 1  -22    3   26 o  113.888   19.770  175.396   54.187  363.470  172.972  154.930   57.060  147.364   43.796  105.856   22.290 41.50847 49.14243 
1 1 1  -22    3   27 o  106.534   39.933  169.741  143.572   0.0000   0.0000  169.741  143.572  ?   ?   106.534   39.933 0.000000 39.93291 
1 1 1  -22    3   28 o  104.654   39.599  164.674  141.913   0.0000   0.0000  164.674  141.913  ?   ?   104.654   39.599 0.000000 39.59938 
1 1 1  -22    3   29 o   77.268   34.565   5.3879  136.908   0.0000   0.0000   5.3879  136.908  ?   ?    77.268   34.565 0.000000 34.56538 
1 1 1  -22    3   30 o   92.717   38.871  103.560  151.593   0.0000   0.0000  103.560  151.593  ?   ?    92.717   38.871 0.000000 38.87128 
1 1 1  -22    3   31 o   80.282   36.241   15.781  154.366   0.0000   0.0000   15.781  154.366  ?   ?    80.282   36.241 0.000000 36.24121 
1 1 1  -22    4    1 o  136.170   12.883  235.728   43.288  248.363   57.494  219.192   65.775  138.934   16.921  129.323   21.095 9.611130 27.04267 
1 1 1  -22    4    2 o  360.591   13.443  1639.95  121.045  1722.62  168.633  1552.08  173.851  367.977   18.352  348.113   20.084 19.86383 27.20583 
1 1 1  -22    4    3 o  375.229   13.317  1775.27  124.785  1792.25  174.525  1757.51  178.488  375.277   18.623  370.878   19.339 4.398590 26.84809 
1 1 1  -22    4    4 o  166.266   13.341  350.716   54.923  362.442   79.847  340.186   75.668  167.591   19.440  162.415   19.017 5.176422 27.19484 
1 1 1  -22    4    5 o  397.999   20.083  2026.25  198.954  1862.49  266.029  2234.09  299.697  377.017   28.466  412.533   29.282 -35.51575 40.83841 
1 1 1  -22    4    6 o  144.299   17.423  267.919   61.512  279.113   70.104  230.462  128.237  146.763   19.619  129.230   37.521 17.53217 42.34126 
1 1 1  -22    4    7 o  195.300   16.456  486.563   79.508  470.043   94.218  527.429  148.188  190.954   20.058  198.425   30.914 -7.470505 36.85076 
1 1 1  -22    4    8 o   72.136   20.900   67.987   39.826   75.029   42.504   17.336  113.992   75.576   21.498   79.085   33.460 -3.508972 39.77101 
1 1 1  -22    4    9 o  144.518   17.644  268.993   62.354  307.532   71.193  142.053  129.208  154.345   18.864  107.596   38.254 46.74860 42.65218 
1 1 1  -22    4   10 o  222.155   11.778  622.729   65.109  608.575   89.068  638.972   95.415  218.526   16.442  223.734   17.210 -5.207397 23.80180 
1 1 1  -22    4   11 o  476.717   16.500  2881.84  196.423  2982.39  276.795  2779.83  278.782  481.472   23.022  463.579   24.166 17.89276 33.37623 
1 1 1  -22    4   12 o  351.727   13.503  1561.19  118.597  1524.20  165.524  1600.20  170.010  345.140   19.282  353.646   19.324 -8.506104 27.29882 
1 1 1  -22    4   13 o  284.507   12.196  1019.75   86.647  1009.46  120.402  1030.80  124.791  281.328   17.221  284.139   17.675 -2.811157 24.67757 
1 1 1  -22    4   14 o  341.862   13.608  1476.16  116.167  1582.08  163.082  1367.06  165.516  351.692   18.636  326.061   20.431 25.63144 27.65340 
1 1 1  -22    4   15 o  187.096   11.978  442.925   55.668  463.057   76.526  420.299   81.128  190.279   16.261  180.659   18.232 9.620010 24.43064 
1 1 1  -22    4   16 o  210.540   12.278  561.072   64.275  597.152   89.390  522.451   92.485  216.011   16.701  201.367   18.602 14.64378 24.99964 
1 1 1  -22    4   17 o  320.124   13.501  1296.66  107.926  1264.35  151.081  1330.32  154.227  313.369   19.402  321.522   19.298 -8.153015 27.36519 
1 1 1  -22    4   18 o  104.031   13.511  139.245   34.271  149.554   45.348  125.515   52.334  106.851   17.609   96.607   22.164 10.24380 28.30735 
1 1 1  -22    4   19 o  139.235   12.249  246.917   42.157  245.540   57.222  248.552   62.345  137.606   17.015  137.984   18.565 -0.3773804 25.18234 
1 1 1  -22    4   20 o  152.016   17.739  300.371   66.072  402.618  142.746  272.492   74.537  168.010   35.153  143.393   21.477 24.61655 41.19429 
1 1 1  -22    4   21 o  226.409   15.751  658.480   88.499  559.091  178.954  690.656  101.822  196.055   37.924  231.023   17.786 -34.96886 41.88747 
1 1 1  -22    4   22 o  102.539   17.630  139.049   43.515  133.085   45.587  200.204  145.982   99.856   18.975  117.681   40.752 -17.82452 44.95286 
1 1 1  -22    4   23 o  249.465   12.298  790.650   76.612  709.748  107.003  875.744  109.740  233.179   18.529  260.022   16.994 -26.84294 25.14207 
1 1 1  -22    4   24 o   77.442   15.423   79.638   28.779   93.359   37.158   59.072   45.493   83.212   18.373   67.917   22.766 15.29476 29.25484 
1 1 1  -22    4   25 o  159.086   16.514  330.840   64.648  291.723  164.396  337.996   70.313  134.115   43.191  160.210   17.880 -26.09502 46.74543 
1 1 1  -22    4   26 o  106.950   19.525  154.733   50.224   25.380  159.789  168.913   52.905   86.287   38.039  111.795   19.669 -25.50860 42.82316 
1 1 1  -22    4   27 o  157.193   40.352  399.821  159.203   0.0000   0.0000  399.821  159.203  ?   ?   157.193   40.352 0.000000 40.35190 
1 1 1  -22    4   28 o  187.354   39.974  564.433  181.320   0.0000   0.0000  564.433  181.320  ?   ?   187.354   39.974 0.000000 39.97382 
1 1 1  -22    4   29 o  140.230   42.418  338.759  161.204   0.0000   0.0000  338.759  161.204  ?   ?   140.230   42.418 0.000000 42.41816 
1 1 1  -22    4   30 o  108.201   41.432  190.795  156.520   0.0000   0.0000  190.795  156.520  ?   ?   108.201   41.432 0.000000 41.43236 
1 1 1  -22    4   31 o  173.023   42.989  529.922  184.922   0.0000   0.0000  529.922  184.922  ?   ?   173.023   42.989 0.000000 42.98942 
1 1 1  -22    4   32 o   83.142   37.454   34.517  163.862   0.0000   0.0000   34.517  163.862  ?   ?    83.142   37.454 0.000000 37.45361 
1 1 1  -22    5    1 o   99.628   20.013  131.178   48.063   99.696   51.993  316.135  126.022   86.488   23.473  151.235   34.174 -64.74718 41.45896 
1 1 1  -22    5    2 f  193.889   17.007  480.843   81.513  477.836   95.844  488.704  154.965  192.327   20.261  189.119   34.066 3.207581 39.63594 
1 1 1  -22    5    3 f  301.629   17.308  1159.33  129.820  996.728  163.681  1435.07  213.148  277.054   23.892  331.701   25.939 -54.64673 35.26553 
1 1 1  -22    5    4 o  154.169   16.743  304.905   63.424  259.212   71.383  476.214  138.216  140.911   20.921  188.339   30.425 -47.42810 36.92400 
1 1 1  -22    5    5 o  245.723   18.482  772.662  112.580  932.366  142.426  506.719  183.792  268.995   21.379  190.051   39.993 78.94424 45.34837 
1 1 1  -22    5    6 f  174.315   16.513  388.549   71.023  349.798   81.603  509.600  144.228  164.302   20.322  194.914   30.643 -30.61194 36.76930 
1 1 1  -22    5    7 o  372.556   19.765  1776.14  183.225  1688.84  242.397  1892.52  279.860  359.387   27.211  378.862   29.822 -19.47498 40.37064 
1 1 1  -22    5    8 o  250.117   12.256  787.803   76.551  813.053  105.091  759.259  111.734  252.637   16.753  243.563   18.509 9.073959 24.96485 
1 1 1  -22    5    9 o  163.242   11.858  337.137   48.006  338.063   64.584  335.993   71.766  162.574   16.121  161.577   18.097 0.9970093 24.23609 
1 1 1  -22    5   10 o  182.214   11.746  419.578   53.164  396.314   71.861  447.705   79.017  176.023   16.542  187.030   17.108 -11.00685 23.79758 
1 1 1  -22    5   11 o  307.769   13.219  1194.93  101.595  1247.06  141.680  1139.76  145.760  312.468   18.237  298.121   19.690 14.34665 26.83789 
1 1 1  -22    5   12 o  440.085   16.030  2455.86  176.170  2558.15  247.941  2351.57  250.361  445.993   22.262  426.250   23.613 19.74261 32.45274 
1 1 1  -22    5   13 o  489.773   16.681  3047.05  204.012  3021.51  287.219  3073.06  289.831  483.473   23.790  487.569   23.804 -4.096344 33.65417 
1 1 1  -22    5   14 o  417.121   15.480  2206.03  161.244  2205.67  226.169  2206.40  229.945  413.368   21.989  413.204   22.368 0.1640015 31.36647 
1 1 1  -22    5   15 o  159.239   12.032  321.458   47.494  331.669   64.283  309.184   70.476  160.788   16.232  154.526   18.640 6.262131 24.71720 
1 1 1  -22    5   16 o  302.046   13.446  1153.72  101.418  1158.08  141.703  1149.15  145.215  300.174   19.002  298.753   19.573 1.421021 27.27965 
1 1 1  -22    5   17 o  227.232   11.651  652.924   65.892  621.551   90.727  687.944   95.857  220.257   16.617  231.761   16.674 -11.50433 23.54072 
1 1 1  -22    5   18 o  170.374   12.020  368.366   50.812  321.809   69.008  423.502   75.097  157.623   17.846  181.426   16.765 -23.80231 24.48598 
1 1 1  -22    5   19 o  216.842   11.948  595.971   64.449  611.958   89.339  578.623   93.064  218.285   16.512  211.759   17.763 6.526123 24.25218 
1 1 1  -22    5   20 o  259.500   17.679  868.490  113.878  932.716  190.622  832.849  142.003  261.691   29.696  251.434   22.866 10.25658 37.47932 
1 1 1  -22    5   21 o  140.469   12.810  252.322   44.440  164.966   62.257  343.075   63.456  110.157   23.357  163.064   15.781 -52.90762 28.18814 
1 1 1  -22    5   22 o  153.217   12.492  299.872   47.381  261.086   64.003  346.901   70.477  140.927   18.645  163.163   17.575 -22.23601 25.62194 
1 1 1  -22    5   23 o  218.303   11.575  605.901   62.877  579.472   86.827  635.044   91.175  211.495   16.573  221.440   16.609 -9.944260 23.46299 
1 1 1  -22    5   24 o  290.382   12.022  1072.01   87.173  1004.40  122.106  1142.29  124.492  277.697   17.700  296.765   16.868 -19.06744 24.45102 
1 1 1  -22    5   25 o  191.889   11.799  470.107   56.262  418.392   77.659  527.236   81.623  178.555   17.648  201.257   16.383 -22.70226 24.08007 
1 1 1  -22    5   26 o   97.607   20.431  130.232   48.202  136.041  157.120  129.629   50.644  102.363   40.825   97.004   21.474 5.359634 46.12817 
1 1 1  -22    5   27 f   68.435   22.333   62.100   43.868   0.0000   0.0000   62.100   43.868  ?   ?    68.435   22.333 0.000000 22.33264 
1 1 1  -22    5   28 o  107.308   41.097  173.727  154.012   0.0000   0.0000  173.727  154.012  ?   ?   107.308   41.097 0.000000 41.09708 
1 1 1  -22    5   29 o   90.946   38.233   86.522  147.301   0.0000   0.0000   86.522  147.301  ?   ?    90.946   38.233 0.000000 38.23258 
1 1 1  -22    5   30 o   70.471   33.292 -91.4386  153.923   0.0000   0.0000 -91.4386  153.923  ?   ?    70.471   33.292 0.000000 33.29167 
1 1 1  -22    5   31 o  210.636   41.701  755.140  211.583   0.0000   0.0000  755.140  211.583  ?   ?   210.636   41.701 0.000000 41.70070 
1 1 1  -22    5   32 o  106.733   42.393  198.278  168.777   0.0000   0.0000  198.278  168.777  ?   ?   106.733   42.393 0.000000 42.39260 
1 1 1  -22    6    1 o  148.633   12.604  280.586   46.342  297.402   60.955  257.554   71.338  152.219   16.289  140.234   21.019 11.98592 26.59157 
1 1 1  -22    6    2 o  278.593   12.055  977.929   83.865  988.992  114.849  965.290  122.753  278.576   16.584  274.716   17.993 3.859863 24.47017 
1 1 1  -22    6    3 o  191.229   11.837  462.249   56.247  469.871   75.366  452.665   84.507  191.880   15.871  187.653   18.265 4.227036 24.19750 
1 1 1  -22    6    4 o   99.431   15.148  127.890   36.423  133.421   47.167  119.721   57.324  100.605   19.478   94.482   24.192 6.123253 31.05881 
1 1 1  -22    6    5 o  352.010   13.521  1564.17  118.853  1610.81  164.703  1513.48  171.679  355.028   18.643  343.463   20.104 11.56522 27.41770 
1 1 1  -22    6    6 o  205.301   11.597  532.142   59.213  514.323   80.021  553.707   88.031  200.795   16.094  208.113   17.090 -7.317902 23.47508 
1 1 1  -22    6    7 o  399.748   14.451  2020.10  144.254  2032.85  201.212  2006.61  206.919  398.150   20.305  395.181   21.044 2.968018 29.24249 
1 1 1  -22    6    8 o  339.370   12.983  1452.52  110.031  1536.09  152.793  1362.51  158.582  347.092   17.687  326.081   19.565 21.01147 26.37481 
1 1 1  -22    6    9 o  183.857   12.011  427.495   54.841  491.406   74.876  353.538   80.547  196.414   15.389  165.202   19.927 31.21205 25.17754 
1 1 1  -22    6   10 o  125.021   13.064  199.258   40.184  186.726   52.726  216.623   62.066  119.817   18.194  128.768   19.947 -8.950470 26.99796 
1 1 1  -22    6   11 o  333.835   13.091  1406.24  109.132  1383.54  151.508  1430.72  157.329  328.920   18.521  334.328   18.922 -5.408295 26.47786 
1 1 1  -22    6   12 o  163.670   12.178  339.410   49.416  317.513   66.326  366.729   74.086  157.127   17.184  168.809   17.845 -11.68184 24.77379 
1 1 1  -22    6   13 o  245.674   12.045  760.690   73.893  740.653  101.935  782.880  107.269  240.721   17.068  247.382   17.477 -6.661880 24.42857 
1 1 1  -22    6   14 o  237.335   11.937  711.768   70.519  696.904   96.933  728.480  102.783  233.502   16.735  238.546   17.374 -5.044067 24.12259 
1 1 1  -22    6   15 o  152.212   12.123  294.051   45.697  281.371   61.050  310.207   68.913  147.757   16.847  154.858   18.165 -7.101593 24.77504 
1 1 1  -22    6   16 o  120.198   13.423  184.949   39.601  165.202   52.269  211.556   60.673  112.015   19.388  126.983   19.778 -14.96814 27.69579 
1 1 1  -22    6   17 o  375.483   13.927  1786.81  130.590  1787.41  183.118  1786.20  186.288  372.285   19.768  371.941   20.132 0.3444519 28.21458 
1 1 1  -22    6   18 o  123.642   12.973  195.540   39.459  204.360   52.392  183.979   59.980  125.344   17.191  117.620   21.201 7.724396 27.29496 
1 1 1  -22    6   19 f  339.584   19.839  1493.87  167.508  1448.19  256.607  1527.78  221.118  325.166   32.017  338.842   26.339 -13.67578 41.45905 
1 1 1  -22    6   20 o  214.561   18.198  596.421   96.587  500.185  176.467  637.582  115.409  184.597   39.477  220.489   21.223 -35.89166 44.81963 
1 1 1  -22    6   21 o  156.405   16.624  317.121   63.932  317.121   63.932   0.0000   0.0000  156.405   16.624  ?   ?  0.000000 16.62355 
1 1 1  -22    6   22 o  158.222   12.379  319.606   48.522  318.666   66.474  320.679   70.988  156.374   17.313  156.404   18.536 -0.3051758E-01 25.36435 
1 1 1  -22    6   23 o  193.674   11.815  477.697   56.868  418.829   78.081  544.199   82.990  179.115   17.688  204.987   16.348 -25.87158 24.08592 
1 1 1  -22    6   24 o  282.507   12.473  1016.16   87.992  937.873  122.901  1098.50  126.037  267.769   18.493  290.593   17.449 -22.82330 25.42593 
1 1 1  -22    6   25 o  216.486   12.321  599.079   66.331  527.310   91.828  677.382   95.917  200.108   18.589  227.930   16.973 -27.82248 25.17212 
1 1 1  -22    6   26 o  109.987   13.217  156.919   35.574  141.707   46.710  177.928   54.894  102.483   18.950  114.742   19.878 -12.25911 27.46357 
1 1 1  -22    6   27 o   91.243   21.785  115.575   48.952   0.0000   0.0000  115.575   48.952  ?   ?    91.243   21.785 0.000000 21.78503 
1 1 1  -22    6   28 o  106.215   41.064  167.151  154.790   0.0000   0.0000  167.151  154.790  ?   ?   106.215   41.064 0.000000 41.06399 
1 1 1  -22    6   29 o  246.746   37.852  954.612  225.789   0.0000   0.0000  954.612  225.789  ?   ?   246.746   37.852 0.000000 37.85233 
1 1 1  -22    6   30 f   79.717   36.179  -4.8049  156.276   0.0000   0.0000  -4.8049  156.276  ?   ?    79.717   36.179 0.000000 36.17934 
1 1 1  -22    6   31 o   97.223   41.187  122.985  173.077   0.0000   0.0000  122.985  173.077  ?   ?    97.223   41.187 0.000000 41.18708 
1 1 1  -22    6   32 o   92.826   39.826  105.983  165.493   0.0000   0.0000  105.983  165.493  ?   ?    92.826   39.826 0.000000 39.82587 
1 1 1  -22    7    1 o  124.832   13.418  199.185   41.172  212.420   53.707  180.323   64.118  128.039   17.235  116.224   22.906 11.81459 28.66626 
1 1 1  -22    7    2 o  170.133   12.458  367.098   52.558  407.325   69.960  314.978   79.633  178.434   15.866  155.221   21.090 23.21358 26.39221 
1 1 1  -22    7    3 o  460.578   15.576  2691.23  179.145  2688.68  250.441  2693.89  256.362  456.811   21.954  456.919   22.468 -0.1076660 31.41332 
1 1 1  -22    7    4 o  276.792   12.183  965.826   84.212  987.607  115.085  940.722  123.553  278.278   16.637  270.947   18.369 7.331573 24.78371 
1 1 1  -22    7    5 o  370.775   13.809  1737.49  127.855  1843.31  177.775  1624.12  184.015  379.971   18.736  355.185   20.838 24.78625 28.02221 
1 1 1  -22    7    6 o  153.878   12.429  300.433   47.351  281.635   62.667  325.448   72.289  147.838   17.302  158.702   18.593 -10.86406 25.39785 
1 1 1  -22    7    7 o  352.294   13.173  1566.67  115.890  1613.66  160.789  1515.86  167.184  355.362   18.180  343.779   19.555 11.58307 26.70048 
1 1 1  -22    7    8 o  170.264   11.906  366.948   50.302  373.994   67.449  358.118   75.508  170.983   15.982  166.617   18.458 4.366226 24.41561 
1 1 1  -22    7    9 o  139.007   12.577  245.622   43.185  236.715   57.084  257.540   66.036  135.379   17.279  140.749   19.296 -5.369812 25.90214 
1 1 1  -22    7   10 o  250.706   11.516  791.464   72.095  818.527   98.989  760.893  105.210  253.574   15.710  243.922   17.386 9.651367 23.43258 
1 1 1  -22    7   11 o  384.861   13.907  1872.69  133.655  1983.53  187.074  1757.11  191.020  393.961   19.016  369.435   20.790 24.52625 28.17495 
1 1 1  -22    7   12 o  244.416   11.561  752.529   70.566  750.474   96.790  754.860  103.097  242.586   16.069  242.963   17.102 -0.3767242 23.46629 
1 1 1  -22    7   13 o  147.899   12.626  278.029   46.184  276.161   61.542  280.438   69.876  146.316   17.170  146.778   19.550 -0.4623871 26.01951 
1 1 1  -22    7   14 o  280.623   12.449  994.021   87.236  1031.74  120.767  952.865  126.149  284.054   17.105  272.330   18.662 11.72464 25.31538 
1 1 1  -22    7   15 o  261.603   12.564  864.396   82.077  910.234  113.555  814.251  118.770  266.622   17.146  251.372   19.063 15.24992 25.63945 
1 1 1  -22    7   16 o  195.985   12.153  486.820   59.183  480.271   80.740  494.424   87.006  193.330   16.894  195.811   17.995 -2.481018 24.68221 
1 1 1  -22    7   17 o  226.889   12.182  652.252   68.766  674.627   94.540  627.115  100.207  229.343   16.620  220.429   18.372 8.914139 24.77408 
1 1 1  -22    7   18 o  125.346   12.901  200.956   39.803  190.954   52.582  214.379   60.914  120.811   17.977  127.585   19.758 -6.774040 26.71232 
1 1 1  -22    7   19 o  175.893   17.944  401.254   77.711  311.940  141.345  439.948   93.034  145.983   38.296  183.170   20.703 -37.18686 43.53362 
1 1 1  -22    7   20 o  141.858   18.907  263.954   65.309  362.186  140.948  237.098   73.698  157.896   36.480  132.809   23.058 25.08719 43.15672 
1 1 1  -22    7   21 o  206.355   12.328  541.848   63.237  576.622   87.715  504.212   91.252  211.251   16.765  196.594   18.817 14.65678 25.20255 
1 1 1  -22    7   22 o  198.311   12.148  500.851   59.868  532.296   83.004  466.754   86.433  202.808   16.533  188.965   18.556 13.84312 24.85308 
1 1 1  -22    7   23 o  189.114   12.220  456.306   57.402  452.452   79.145  460.584   83.376  186.384   17.198  187.696   18.010 -1.311951 24.90239 
1 1 1  -22    7   24 o  250.602   12.411  799.662   77.668  747.876  108.247  854.609  111.503  239.055   18.271  256.075   17.543 -17.02007 25.32948 
1 1 1  -22    7   25 o  189.955   11.753  460.735   55.476  388.692   75.225  546.635   82.141  171.945   17.776  205.010   16.176 -33.06519 24.03453 
1 1 1  -22    7   26 o  144.534   12.648  268.820   45.191  278.130   61.167  257.631   67.058  145.260   17.196  138.494   19.967 6.766266 26.35098 
1 1 1  -22    7   27 o   53.837   16.666   37.869   24.703   45.890   30.536   22.676   42.026   59.095   18.569   52.973   21.118 6.122543 28.12043 
1 1 1  -22    7   28 o   96.449   39.986  107.914  157.841   0.0000   0.0000  107.914  157.841  ?   ?    96.449   39.986 0.000000 39.98562 
1 1 1  -22    7   29 o  153.105   44.459  410.307  180.030   0.0000   0.0000  410.307  180.030  ?   ?   153.105   44.459 0.000000 44.45869 
1 1 1  -22    7   30 o  111.482   43.192  205.341  171.533   0.0000   0.0000  205.341  171.533  ?   ?   111.482   43.192 0.000000 43.19216 
1 1 1  -22    7   31 o  104.376   42.527  170.128  174.564   0.0000   0.0000  170.128  174.564  ?   ?   104.376   42.527 0.000000 42.52749 
1 1 1  -22    7   32 o   75.380   35.382 -56.9019  168.952   0.0000   0.0000 -56.9019  168.952  ?   ?    75.380   35.382 0.000000 35.38218 
1 1 1  -22    7   33 f   98.341   41.738  150.069  178.268   0.0000   0.0000  150.069  178.268  ?   ?    98.341   41.738 0.000000 41.73825 
1 1 1  -22    8    1 o  357.030   13.278  1613.14  118.386  1528.12  162.904  1708.30  172.341  344.611   19.004  364.414   19.004 -19.80392 26.87560 
1 1 1  -22    8    2 o  359.293   13.377  1633.23  120.021  1521.39  164.275  1761.27  175.777  343.900   19.206  370.161   19.081 -26.26047 27.07283 
1 1 1  -22    8    3 o  289.037   12.291  1054.48   88.712  998.037  120.486  1121.30  131.100  279.197   17.367  295.799   17.832 -16.60196 24.89152 
1 1 1  -22    8    4 o  126.783   13.451  205.448   41.937  199.386   54.814  214.005   65.126  123.678   18.300  127.365   21.223 -3.686623 28.02372 
1 1 1  -22    8    5 o  156.886   12.499  312.548   48.561  336.318   64.470  281.376   73.830  161.901   16.162  146.632   20.742 15.26866 26.29520 
1 1 1  -22    8    6 o  343.315   13.200  1489.22  113.162  1482.28  155.770  1496.98  164.672  340.163   18.406  341.374   19.397 -1.211029 26.74014 
1 1 1  -22    8    7 o  197.363   12.337  493.243   60.499  564.137   81.830  407.778   89.847  210.249   15.699  177.057   20.712 33.19209 25.98955 
1 1 1  -22    8    8 o  184.352   11.853  430.102   54.279  428.463   72.550  432.186   81.804  182.990   16.038  183.185   18.120 -0.1941071 24.19876 
1 1 1  -22    8    9 o  231.956   11.431  677.760   66.210  640.284   89.420  723.241   98.508  223.938   16.098  237.880   16.689 -13.94193 23.18715 
1 1 1  -22    8   10 o  196.505   11.817  488.455   57.716  508.615   77.932  463.966   85.894  199.544   15.768  189.764   18.355 9.780594 24.19793 
1 1 1  -22    8   11 f  258.835   11.836  844.647   76.502  916.888  105.539  764.662  111.052  268.218   15.827  243.987   18.361 24.23131 24.24137 
1 1 1  -22    8   12 o  170.700   11.901  369.200   50.412  364.478   67.511  375.151   75.791  168.550   16.241  170.485   18.078 -1.934982 24.30207 
1 1 1  -22    8   13 o  102.906   14.584  136.796   36.429  122.373   47.147  158.162   57.386   95.866   20.325  108.887   21.864 -13.02053 29.85217 
1 1 1  -22    8   14 o  271.702   12.220  932.045   82.910  1021.04  114.542  834.100  120.165  282.724   16.293  254.370   19.056 28.35324 25.07153 
1 1 1  -22    8   15 o  191.815   12.304  466.634   58.624  507.670   79.837  418.618   86.361  199.003   16.206  179.483   19.586 19.52000 25.42168 
1 1 1  -22    8   16 f  207.551   11.633  545.395   60.051  563.705   81.981  524.197   88.210  209.825   15.761  201.645   17.697 8.179901 23.69789 
1 1 1  -22    8   17 o   78.007   16.592   80.555   31.328   69.534   39.928   98.205   50.529   72.424   20.911   85.323   23.133 -12.89938 31.18335 
1 1 1  -22    8   18 o  260.788   17.817  876.876  115.337  947.062  188.758  835.058  145.700  264.408   29.068  251.583   23.462 12.82434 37.35497 
1 1 1  -22    8   19 o  170.228   21.434  382.531   89.095   0.0000   0.0000  382.531   89.095  ?   ?   170.228   21.434 0.000000 21.43443 
1 1 1  -22    8   20 o  111.293   14.804  160.615   40.122  129.479   49.816  218.101   67.689   97.986   20.991  127.529   22.053 -29.54309 30.44603 
1 1 1  -22    8   21 o   85.839   15.376   96.965   31.749  103.062   40.805   87.611   50.542   87.564   19.191   80.476   23.611 7.087440 30.42603 
1 1 1  -22    8   22 o  259.803   12.595  858.073   81.716  881.544  113.868  833.149  117.339  260.601   17.601  252.682   18.729 7.918793 25.70141 
1 1 1  -22    8   23 o  133.311   12.829  228.324   42.181  228.497   56.539  228.106   63.345  131.763   17.625  130.698   20.049 1.064911 26.69410 
1 1 1  -22    8   24 o  158.247   12.171  320.510   47.729  269.451   64.086  384.110   71.524  142.749   18.407  171.466   16.925 -28.71611 25.00518 
1 1 1  -22    8   25 o  222.919   12.243  635.231   67.894  602.567   93.766  671.232   98.439  214.422   17.669  226.449   17.545 -12.02737 24.89997 
1 1 1  -22    8   26 o   84.877   15.142   95.510   30.918   91.935   39.469  101.187   49.740   81.984   19.553   85.259   22.884 -3.274757 30.09952 
1 1 1  -22    8   27 o  182.317   12.272  426.545   55.546  411.212   75.875  444.252   81.540  176.606   17.432  183.279   18.050 -6.672699 25.09334 
1 1 1  -22    8   28 o  141.631   17.493  266.306   60.554  268.769   64.832  249.476  169.507  141.662   18.791  121.897   43.764 19.76460 47.62776 
1 1 1  -22    8   29 o   99.872   18.772  135.699   45.098  122.848   46.851  297.826  166.410   94.242   20.492  130.902   43.535 -36.66040 48.11650 
1 1 1  -22    8   30 o   69.343   32.877 -102.1627  152.698   0.0000   0.0000 -102.1627  152.698  ?   ?    69.343   32.877 0.000000 32.87742 
1 1 1  -22    8   31 o  114.948   43.526  233.215  171.535   0.0000   0.0000  233.215  171.535  ?   ?   114.948   43.526 0.000000 43.52639 
1 1 1  -22    8   32 o   62.036   30.527 -234.8117  166.206   0.0000   0.0000 -234.8117  166.206  ?   ?    62.036   30.527 0.000000 30.52685 
1 1 1  -22    8   33 o  110.132   44.662  230.566  191.443   0.0000   0.0000  230.566  191.443  ?   ?   110.132   44.662 0.000000 44.66211 
1 1 1  -22    9    1 o  345.062   12.810  1507.60  110.382  1458.64  150.857  1564.02  161.940  336.700   18.007  348.289   18.688 -11.58871 25.95159 
1 1 1  -22    9    2 o  248.522   11.888  780.176   73.775  788.113  100.053  770.719  109.216  248.051   16.242  244.584   18.008 3.467438 24.25097 
1 1 1  -22    9    3 o  123.351   13.536  194.964   41.010  142.180   52.713  275.899   65.274  103.139   21.176  145.647   18.354 -42.50790 28.02306 
1 1 1  -22    9    4 o  177.571   12.144  400.013   53.528  392.134   70.741  410.568   81.873  174.673   16.410  178.031   18.695 -3.357315 24.87583 
1 1 1  -22    9    5 o  277.283   12.115  970.738   83.889  929.529  113.616  1020.13  124.387  269.404   16.975  281.947   17.757 -12.54248 24.56585 
1 1 1  -22    9    6 o  138.312   13.112  244.018   44.747  223.468   58.236  273.641   69.918  130.977   18.305  144.684   19.877 -13.70753 27.02161 
1 1 1  -22    9    7 o  359.839   13.275  1637.89  119.285  1669.19  164.725  1603.38  172.967  360.716   18.348  352.791   19.712 7.924744 26.92955 
1 1 1  -22    9    8 o  316.838   12.772  1268.53  101.052  1363.98  139.389  1162.79  146.709  326.563   17.153  300.315   19.671 26.24744 26.09949 
1 1 1  -22    9    9 o  462.748   15.185  2719.26  175.478  2697.74  244.472  2742.14  252.026  457.140   21.416  460.531   21.915 -3.390991 30.64117 
1 1 1  -22    9   10 o  373.162   13.518  1762.28  125.964  1794.25  174.954  1727.86  181.508  373.764   18.805  366.141   19.927 7.622711 27.39862 
1 1 1  -22    9   11 o  104.059   14.561  139.879   36.800  138.636   47.652  141.717   57.927  102.381   19.347  102.588   23.160 -0.2066879 30.17799 
1 1 1  -22    9   12 o   56.190   18.570   38.798   30.297   58.243   38.242   6.0213   49.649   67.130   20.729   52.441   22.129 14.68835 30.32145 
1 1 1  -22    9   13 o   88.413   16.106  102.497   34.250   91.970   44.086  118.524   54.397   82.828   21.220   93.676   23.339 -10.84756 31.54356 
1 1 1  -22    9   14 o  268.497   11.908  910.353   79.840  962.123  110.158  853.065  115.880  274.289   16.154  257.421   18.143 16.86768 24.29209 
1 1 1  -22    9   15 o  272.334   12.446  937.910   84.640  1012.79  117.246  856.421  122.312  281.081   16.780  257.365   19.169 23.71613 25.47593 
1 1 1  -22    9   16 o  184.063   12.153  430.173   55.544  469.897   75.111  382.233   82.513  191.322   15.864  171.136   19.665 20.18613 25.26646 
1 1 1  -22    9   17 o   97.122   22.698  127.789   54.060  124.025  117.668  128.796   60.864   99.575   36.361   97.081   24.965 2.494133 44.10641 
1 1 1  -22    9   18 o  260.271   17.851  874.845  115.321  900.768  186.893  858.907  146.546  256.888   29.680  254.967   23.273 1.920639 37.71675 
1 1 1  -22    9   19 o  134.456   38.647  267.676  136.665  267.676  136.665   0.0000   0.0000  134.456   38.647  ?   ?  0.000000 38.64724 
1 1 1  -22    9   20 o   89.320   15.578  104.880   33.484   93.119   42.232  124.789   54.945   82.968   20.502   95.498   23.256 -12.53043 31.00313 
1 1 1  -22    9   21 o   75.140   16.472   75.285   30.056   68.434   37.656   87.312   49.890   71.404   20.208   80.231   23.435 -8.827751 30.94458 
1 1 1  -22    9   22 o  243.590   11.956  753.461   72.729  747.886  100.071  759.701  105.882  240.221   16.788  241.648   17.669 -1.426743 24.37236 
1 1 1  -22    9   23 o  215.020   12.946  591.513   69.189  650.960   96.068  527.447   99.731  223.514   17.348  199.523   20.299 23.99156 26.70196 
1 1 1  -22    9   24 o  197.733   11.959  499.286   58.772  485.220   80.029  515.753   86.591  192.861   16.784  198.431   17.659 -5.569458 24.36321 
1 1 1  -22    9   25 o  126.944   12.838  207.874   40.139  186.832   52.658  237.056   62.012  118.299   18.425  133.187   19.199 -14.88855 26.61012 
1 1 1  -22    9   26 o   62.997   17.011   53.461   27.388   60.603   34.083   40.444   46.013   66.941   19.317   60.562   22.625 6.378590 29.74988 
1 1 1  -22    9   27 o  220.093   13.187  623.451   72.143  563.238  106.286  674.892   98.239  204.460   21.121  226.501   17.504 -22.04115 27.43199 
1 1 1  -22    9   28 o   55.858   18.830   39.391   31.125   45.524   31.750 -111.9592  157.712   58.997   18.979   70.496   33.421 -11.49955 38.43370 
1 1 1  -22    9   29 o  147.510   18.028  290.558   65.025  302.126   69.607  211.271  182.230  149.923   19.020  113.628   44.380 36.29486 48.28428 
1 1 1  -22    9   30 o   81.892   20.133   93.319   40.883   86.948   42.164  193.393  167.110   78.842   21.029  109.179   42.539 -30.33678 47.45287 
1 1 1  -22    9   31 o   83.558   37.791   17.454  168.754   0.0000   0.0000   17.454  168.754  ?   ?    83.558   37.791 0.000000 37.79067 
1 1 1  -22    9   32 o  101.192   42.411  157.598  180.360   0.0000   0.0000  157.598  180.360  ?   ?   101.192   42.411 0.000000 42.41069 
1 1 1  -22    9   33 o  138.360   47.804  403.753  200.827   0.0000   0.0000  403.753  200.827  ?   ?   138.360   47.804 0.000000 47.80412 
1 1 1  -22   10    1 o   61.292   23.213   37.596   48.793 -27.0725   86.086   68.205   59.225   60.907   27.316   74.475   25.947 -13.56792 37.67534 
1 1 1  -22   10    2 o   87.572   17.424  101.666   36.762   79.543   46.827  137.203   59.349   77.190   22.749  100.291   24.015 -23.10110 33.07927 
1 1 1  -22   10    3 o  304.600   12.319  1174.20   93.700  1131.05  127.285  1225.25  138.441  296.581   17.261  308.305   18.061 -11.72351 24.98257 
1 1 1  -22   10    4 o  131.970   13.313  222.932   43.273  231.262   56.322  210.931   67.604  133.341   17.324  125.617   22.371 7.723709 28.29491 
1 1 1  -22   10    5 o   93.873   16.062  115.377   36.299  116.146   45.807  114.080   59.509   93.152   20.268   91.640   25.213 1.511543 32.34983 
1 1 1  -22   10    6 o   82.200   17.647   89.683   35.141  114.017   44.380   48.783   57.536   92.407   19.826   67.937   25.316 24.47017 32.15541 
1 1 1  -22   10    7 o  203.942   12.019  527.230   60.940  531.120   81.612  522.328   91.617  203.465   16.197  200.965   18.462 2.499664 24.56000 
1 1 1  -22   10    8 o  151.953   12.626  293.962   47.476  313.658   62.609  267.316   72.825  156.023   16.311  142.388   21.121 13.63478 26.68609 
1 1 1  -22   10    9 o  198.296   12.012  498.458   59.200  515.787   79.185  476.499   89.138  200.597   15.939  191.764   18.858 8.833054 24.69173 
1 1 1  -22   10   10 o   67.413   18.394   60.199   31.826   59.243   40.195   61.806   52.107   67.807   21.304   71.081   24.362 -3.274071 32.36256 
1 1 1  -22   10   11 o  167.290   12.272  355.563   50.908  390.537   67.591  309.712   77.391  174.446   15.683  153.590   20.706 20.85622 25.97493 
1 1 1  -22   10   12 o  150.547   12.522  288.562   46.649  291.225   61.917  285.066   70.946  150.105   16.807  147.554   19.750 2.551590 25.93279 
1 1 1  -22   10   13 o   95.832   15.554  119.813   35.946  125.296   46.278  111.473   57.073   96.952   19.785   90.652   24.589 6.299683 31.56028 
1 1 1  -22   10   14 o  219.674   11.990  611.765   65.522  649.277   88.254  565.693   97.805  225.100   15.800  208.852   18.960 16.24878 24.68041 
1 1 1  -22   10   15 o  119.799   21.110  191.122   60.845  150.440  120.563  205.023   70.478  106.139   37.018  123.261   23.758 -17.12140 43.98659 
1 1 1  -22   10   16 o  336.064   18.945  1460.89  158.344  1625.35  243.245  1339.94  208.592  347.321   28.291  316.508   26.639 30.81329 38.85921 
1 1 1  -22   10   17 o  110.242   21.782  163.512   57.837  169.563  121.557  161.740   65.757  110.370   37.212  108.695   24.777 1.674820 44.70609 
1 1 1  -22   10   18 o  150.748   22.489  303.502   82.069   0.0000   0.0000  303.502   82.069  ?   ?   150.748   22.489 0.000000 22.48909 
1 1 1  -22   10   19 o  344.748   13.454  1512.19  115.829  1557.18  160.188  1462.89  167.683  346.478   18.582  334.693   20.157 11.78458 27.41501 
1 1 1  -22   10   20 o  151.111   12.674  292.101   47.385  290.025   63.166  294.772   71.658  149.063   17.290  149.360   19.693 -0.2963562 26.20607 
1 1 1  -22   10   21 o  202.227   12.557  521.945   63.100  575.711   86.704  461.406   92.004  210.756   16.609  186.979   20.015 23.77704 26.00906 
1 1 1  -22   10   22 o  128.077   12.918  211.036   40.751  217.676   53.330  201.718   63.174  128.754   17.003  122.136   21.498 6.618080 27.40901 
1 1 1  -22   10   23 o  123.486   13.387  196.987   40.619  180.571   52.961  220.437   63.300  116.278   18.888  128.051   20.486 -11.77340 27.86440 
1 1 1  -22   10   24 o  207.812   12.572  552.933   64.933  584.490   88.606  516.326   95.431  211.599   16.910  197.320   19.628 14.27855 25.90747 
1 1 1  -22   10   25 f   87.283   15.441  101.052   32.424  104.921   41.344   94.871   52.258   87.734   19.387   82.609   23.943 5.124840 30.80787 
1 1 1  -22   10   26 f   84.911   15.565   95.983   31.787   98.962   40.328   91.096   51.653   85.054   19.415   80.923   23.905 4.130745 30.79567 
1 1 1  -22   10   27 f  151.167   13.048  295.091   48.772  258.214   67.398  335.629   70.666  138.237   20.114  158.954   18.127 -20.71736 27.07686 
1 1 1  -22   10   28 o  125.992   17.743  212.037   54.277  197.882   56.851  357.846  182.461  120.848   19.502  142.125   45.474 -21.27651 49.47955 
1 1 1  -22   10   29 o  111.200   18.175  166.872   48.727  152.148   50.779  338.046  173.140  105.260   20.051  138.075   44.310 -32.81423 48.63521 
1 1 1  -22   10   30 o  132.186   17.885  234.678   57.521  227.328   60.729  298.783  179.341  129.291   19.409  127.855   45.110 1.435043 49.10804 
1 1 1  -22   10   31 o  143.934   18.191  279.353   63.925  276.271   67.605  305.375  196.437  142.349   19.533  125.760   46.794 16.58920 50.70736 
1 1 1  -22   10   32 o  169.125   48.870  571.689  218.010   0.0000   0.0000  571.689  218.010  ?   ?   169.125   48.870 0.000000 48.87039 
1 1 1  -22   10   33 o  131.460   48.225  373.581  207.324   0.0000   0.0000  373.581  207.324  ?   ?   131.460   48.225 0.000000 48.22477 
1 1 1  -22   11    1 o  182.020   11.951  421.862   54.020  397.545   70.594  456.220   83.912  175.205   16.323  187.001   18.200 -11.79584 24.44746 
1 1 1  -22   11    2 o  170.053   17.170  375.623   71.915  400.013  114.163  359.577   92.597  170.557   27.759  163.755   23.301 6.802490 36.24232 
1 1 1  -22   11    3 o  175.860   17.015  400.777   73.787  508.699  118.834  333.060   94.131  194.492   25.050  156.947   24.845 37.54482 35.28110 
1 1 1  -22   11    4 o  127.913   19.985  216.664   61.747  266.767  104.066  189.442   76.709  137.516   31.040  117.040   26.820 20.47578 41.02242 
1 1 1  -22   11    5 o  197.003   17.090  501.429   83.244  630.922  133.552  419.157  106.452  217.211   25.083  176.716   24.806 40.49428 35.27735 
1 1 1  -22   11    6 o  128.236   19.610  216.957   60.802  254.769  106.197  198.517   74.160  134.148   32.126  120.524   25.439 13.62363 40.97832 
1 1 1  -22   11    7 o   88.976   23.354  107.499   52.545  122.858   96.555  101.035   62.632   96.612   33.160   86.678   26.489 9.934135 42.44122 
1 1 1  -22   11    8 o  119.551   20.445  189.763   58.842  234.362  104.463  169.036   71.215  128.625   32.508  110.928   26.138 17.69683 41.71240 
1 1 1  -22   11    9 o   59.493   23.314   29.979   50.419  119.283  105.380   3.4675   57.418   96.822   34.534   55.174   23.559 41.64768 41.80462 
1 1 1  -22   11   10 o   97.740   22.917  129.533   54.963   10.220  103.897  175.901   64.769   73.392   31.524  114.026   23.527 -40.63437 39.33517 
1 1 1  -22   11   11 o  154.238   17.796  309.156   67.285  438.399  119.326  248.905   81.473  179.748   27.455  135.609   24.979 44.13878 37.11790 
1 1 1  -22   11   12 o  118.001   20.609  185.188   58.519  241.251  108.999  162.484   69.364  130.165   33.375  108.780   25.906 21.38496 42.24949 
1 1 1  -22   11   13 o  164.835   17.994  353.101   72.866  356.458  127.699  351.480   88.728  158.694   33.286  162.741   22.429 -4.046829 40.13771 
1 1 1  -22   11   14 o  228.271   16.655  670.841   94.283  848.959  156.387  569.133  118.175  252.323   25.155  207.203   23.240 45.12003 34.24679 
1 1 1  -22   11   15 o   94.270   22.951  120.958   53.522  162.029  111.879  108.769   60.949  107.910   35.687   89.320   25.849 18.59012 44.06474 
1 1 1  -22   11   16 o  255.365   17.179  841.545  108.912  1019.21  177.500  734.266  137.928  275.532   26.109  234.950   23.839 40.58170 35.35472 
1 1 1  -22   11   17 o   58.923   22.628   32.974   46.771   49.869  131.318   30.519   50.054   86.648   36.242   59.316   23.234 27.33154 43.05011 
1 1 1  -22   11   18 o  115.496   17.865  175.829   49.862  175.829   49.862   0.0000   0.0000  115.496   17.865  ?   ?  0.000000 17.86486 
1 1 1  -22   11   19 o  415.629   14.616  2208.62  151.699  2279.18  211.876  2134.41  217.297  417.685   20.313  402.461   21.701 15.22321 29.72513 
1 1 1  -22   11   20 o  187.565   12.387  449.039   57.692  467.530   78.106  426.837   85.583  189.774   16.650  180.074   19.335 9.699951 25.51563 
1 1 1  -22   11   21 o  112.851   13.723  164.933   37.877  149.465   49.084  187.703   59.552  105.539   19.337  117.930   20.991 -12.39045 28.54020 
1 1 1  -22   11   22 o  104.680   14.005  142.596   35.691  122.353   45.720  174.181   57.110   94.974   19.914  113.382   20.942 -18.40745 28.89846 
1 1 1  -22   11   23 o  221.849   12.724  630.107   70.197  619.973   95.758  641.880  103.207  217.523   17.784  220.685   18.910 -3.162766 25.95919 
1 1 1  -22   11   24 o  240.079   12.727  738.389   76.030  719.481  104.577  759.589  110.733  234.022   18.034  240.105   18.614 -6.083115 25.91705 
1 1 1  -22   11   25 o  162.739   12.966  341.042   52.255  349.254   69.911  330.646   78.659  162.732   17.477  156.709   20.600 6.022552 27.01484 
1 1 1  -22   11   26 o  178.488   12.598  409.582   55.791  409.037   75.507  410.237   82.796  176.114   17.396  175.368   19.221 0.7455750 25.92461 
1 1 1  -22   11   27 o   79.847   16.658   85.994   32.140   79.404   40.738   96.856   52.304   75.810   20.862   83.022   23.922 -7.211739 31.74115 
1 1 1  -22   11   28 o  132.540   18.247  235.374   58.793  247.271   62.471  143.170  173.915  135.533   18.978  102.716   42.217 32.81696 46.28708 
1 1 1  -22   11   29 o   52.684   18.859   32.773   31.453   26.858   31.921  230.005  184.317   50.239   18.830  116.036   44.824 -65.79700 48.61854 
1 1 1  -22   11   30 o  178.742   17.517  425.743   77.184  398.473   83.433  587.622  203.275  171.366   19.865  181.600   45.043 -10.23404 49.22942 
1 1 1  -22   11   31 o  199.898   18.694  538.398   92.232  555.035  101.732  461.588  218.592  201.524   20.501  149.932   49.897 51.59184 53.94459 
1 1 1  -22   11   32 o  210.205   18.850  598.644   97.897  605.653  108.493  567.933  227.118  209.487   21.023  164.843   50.453 44.64346 54.65778 
1 1 1  -22   11   33 o  117.598   47.144  291.951  210.663   0.0000   0.0000  291.951  210.663  ?   ?   117.598   47.144 0.000000 47.14381 
1 1 1  -22   12    1 o  188.023   12.035  451.143   56.212  465.814   73.609  430.617   87.067  189.663   15.682  180.497   19.633 9.166077 25.12777 
1 1 1  -22   12    2 o  155.929   12.775  311.442   49.307  324.825   64.237  292.249   76.929  157.957   16.530  147.690   21.489 10.26738 27.11117 
1 1 1  -22   12    3 o  110.418   14.754  158.558   39.664  151.173   50.728  170.175   63.625  106.137   19.870  111.399   23.605 -5.261833 30.85451 
1 1 1  -22   12    4 o  192.711   12.007  472.827   57.494  442.202   75.569  514.921   88.595  184.735   16.557  198.796   18.043 -14.06059 24.48825 
1 1 1  -22   12    5 o  129.521   13.710  215.914   43.668  208.337   56.390  227.264   69.017  125.688   18.522  130.039   22.041 -4.351074 28.78975 
1 1 1  -22   12    6 o  250.840   12.142  797.753   76.056  860.471  102.862  722.110  112.965  258.615   16.006  235.188   19.408 23.42680 25.15668 
1 1 1  -22   12    7 o  147.535   12.982  278.486   47.341  287.465   62.314  266.230   72.802  148.632   17.101  141.430   21.272 7.201965 27.29357 
1 1 1  -22   12    8 o  166.906   12.694  355.426   52.511  369.481   69.731  337.016   79.810  168.885   16.755  159.811   20.469 9.073318 26.45212 
1 1 1  -22   12    9 o  126.299   18.795  210.168   57.472  197.882  109.185  214.876   67.593  117.313   34.780  126.502   22.207 -9.189095 41.26553 
1 1 1  -22   12   10 o  213.169   17.383  587.951   91.729  619.162  148.574  568.727  116.606  212.689   28.707  206.997   22.944 5.691635 36.74954 
1 1 1  -22   12   11 o  112.918   20.514  170.377   55.714  274.372  112.880  136.884   64.061  138.425   33.102   99.644   25.606 38.78043 41.85003 
1 1 1  -22   12   12 o  116.861   19.385  181.073   54.588  238.954  109.588  161.972   62.954  128.822   33.685  108.943   23.806 19.87968 41.24785 
1 1 1  -22   12   13 o  176.640   12.412  397.524   54.402  413.497   72.966  377.530   81.633  178.820   16.527  169.602   19.638 9.218170 25.66677 
1 1 1  -22   12   14 o  287.452   12.481  1048.29   89.588  999.050  121.211  1107.57  133.001  277.981   17.551  292.302   18.313 -14.32172 25.36598 
1 1 1  -22   12   15 o   83.190   17.021   92.057   34.168  112.834   43.585   58.928   55.037   91.606   19.643   70.199   24.966 21.40647 31.76655 
1 1 1  -22   12   16 o  102.788   15.060  137.781   37.511  113.312   48.713  173.423   58.792   91.247   21.696  113.398   21.550 -22.15099 30.57970 
1 1 1  -22   12   17 f  117.865   17.499  182.837   49.941  184.530   52.575  167.203  159.780  118.105   18.428  111.284   42.040 6.821495 45.90127 
1 1 1  -22   12   18 o   49.021   17.745   26.419   27.937   22.343   34.276   34.487   48.218   49.958   19.321   59.743   22.968 -9.784672 30.01371 
1 1 1  -22   12   19 o  227.992   12.303  662.696   69.785  692.869   94.885  627.146  102.995  231.244   16.541  218.653   19.053 12.59085 25.23144 
1 1 1  -22   12   20 o  113.433   14.128  167.023   39.151  187.116   51.088  138.430   60.944  118.936   17.744   99.696   24.625 19.23971 30.35145 
1 1 1  -22   12   21 o  181.186   12.250  419.788   55.099  441.078   74.175  393.579   82.301  184.109   16.302  172.365   19.461 11.74341 25.38728 
1 1 1  -22   12   22 f   91.192   15.358  109.835   33.730   83.829   42.241  155.594   56.033   78.206   21.129  106.534   21.797 -28.32776 30.35719 
1 1 1  -22   12   23 o  307.150   13.454  1208.66  103.192  1294.32  143.296  1116.39  148.726  313.974   18.356  289.605   20.702 24.36887 27.66785 
1 1 1  -22   12   24 o  175.853   12.357  396.777   53.919  355.347   72.141  449.211   81.158  163.964   17.910  184.584   17.829 -20.62076 25.27158 
1 1 1  -22   12   25 o   67.981   17.251   62.633   29.333   58.602   36.317   70.199   49.752   66.027   20.169   72.412   23.791 -6.385254 31.18993 
1 1 1  -22   12   26 o  229.811   12.782  678.805   73.061  684.484   99.859  672.263  107.176  227.843   17.690  224.678   19.289 3.165085 26.17256 
1 1 1  -22   12   27 o   63.938   19.883   54.790   35.113   43.256   35.885  314.269  170.204   58.715   20.212  134.506   43.995 -75.79109 48.41532 
1 1 1  -22   12   28 o  138.189   18.099  255.672   60.954  258.802   64.489  229.458  186.655  138.501   19.159  116.469   45.075 22.03185 48.97774 
1 1 1  -22   12   29 o  129.371   18.022  224.999   56.641  215.310   59.302  325.768  191.238  125.766   19.515  132.097   46.585 -6.331291 50.50692 
1 1 1  -22   12   30 o  184.721   18.092  457.034   82.384  447.226   88.977  515.951  218.073  181.400   19.973  161.878   49.419 19.52249 53.30252 
1 1 1  -22   12   31 o  171.635   17.490  394.747   73.914  360.171   78.807  647.550  213.092  162.321   19.856  187.292   45.916 -24.97153 50.02492 
1 1 1  -22   12   32 o  180.039   18.657  440.073   82.662  454.680   89.206  351.320  219.883  182.005   19.954  127.476   49.038 54.52923 52.94237 
1 1 1  -22   13    1 o  172.488   12.320  381.397   52.719  381.935   68.445  380.613   82.664  171.007   16.222  168.832   19.995 2.174683 25.74821 
1 1 1  -22   13    2 o  274.424   12.418  960.195   85.098  970.393  114.349  947.536  127.399  273.050   16.853  268.234   19.145 4.816376 25.50596 
1 1 1  -22   13    3 o  143.647   13.402  265.830   47.519  293.901   61.293  223.536   75.235  149.896   16.656  127.107   24.592 22.78931 29.70178 
1 1 1  -22   13    4 o   43.919   17.903   10.995   30.954   22.223   38.347 -10.0022   52.438   51.592   20.297   49.290   21.757 2.301147 29.75445 
1 1 1  -22   13    5 f  144.151   13.249  267.091   47.159  296.019   61.495  225.788   73.481  150.632   16.625  128.431   23.788 22.20061 29.02166 
1 1 1  -22   13    6 o   92.915   16.720  114.431   37.368  105.121   47.432  129.664   60.673   87.667   21.767   96.604   24.969 -8.936928 33.12471 
1 1 1  -22   13    7 o   57.034   19.165   40.277   32.243   47.877   39.899   25.972   54.738   62.300   21.318   59.486   23.966 2.814182 32.07530 
1 1 1  -22   13    8 f  153.270   12.618  300.536   47.865  291.892   62.503  312.796   74.431  149.575   17.038  153.769   19.847 -4.194321 26.15681 
1 1 1  -22   13    9 o   87.011   16.972  100.658   35.554   74.692   44.280  147.778   59.648   74.584   22.158  103.737   23.562 -29.15228 32.34418 
1 1 1  -22   13   10 o  207.145   11.972  546.055   61.665  491.631   81.371  619.477   94.513  194.686   16.905  218.422   17.474 -23.73607 24.31318 
1 1 1  -22   13   11 o  187.439   12.316  447.903   57.327  470.826   75.905  417.466   87.464  190.840   16.077  177.950   20.031 12.89003 25.68486 
1 1 1  -22   13   12 o  211.430   12.160  569.150   63.931  531.585   85.022  618.021   96.978  202.462   16.973  217.919   17.981 -15.45656 24.72693 
1 1 1  -22   13   13 o  198.816   11.860  503.047   58.616  457.678   77.776  562.696   89.180  187.835   16.757  208.159   17.313 -20.32347 24.09476 
1 1 1  -22   13   14 o  234.187   11.974  697.693   69.794  681.143   93.483  718.536  104.908  229.531   16.418  234.967   18.017 -5.436096 24.37510 
1 1 1  -22   13   15 o   86.906   16.781  100.393   35.100  127.002   44.957   58.849   56.175   97.273   19.190   70.199   25.195 27.07426 31.67064 
1 1 1  -22   13   16 o  173.447   13.513  385.929   58.067  323.965   82.402  447.049   81.838  155.490   21.823  184.946   17.946 -29.45540 28.25390 
1 1 1  -22   13   17 o   89.589   16.746  106.672   36.088   98.849   45.311  120.242   59.676   85.035   21.365   92.978   25.112 -7.942825 32.97059 
1 1 1  -22   13   18 o   86.895   16.523  100.447   34.543  113.955   43.919   78.536   55.933   91.707   19.761   76.936   25.223 14.77137 32.04178 
1 1 1  -22   13   19 o  115.682   13.698  173.374   38.801  167.713   49.647  182.259   62.197  112.189   18.356  115.449   22.382 -3.260185 28.94617 
1 1 1  -22   13   20 o   81.977   16.619   89.892   32.855   87.528   41.358   93.937   54.095   79.976   20.587   82.497   24.486 -2.520538 31.99043 
1 1 1  -22   13   21 o   97.253   15.286  124.596   35.898   92.878   45.021  179.962   59.483   82.094   21.651  114.816   21.537 -32.72194 30.53866 
1 1 1  -22   13   22 o  123.903   13.718  199.131   41.734  187.895   53.986  215.817   65.788  118.386   18.897  125.763   21.734 -7.376831 28.80050 
1 1 1  -22   13   23 o  233.179   12.082  695.633   70.110  648.388   94.931  752.319  103.986  222.354   17.231  239.411   17.515 -17.05702 24.57005 
1 1 1  -22   13   24 o   64.140   17.934   55.593   29.845   58.996   36.848   49.102   50.884   66.253   20.329   64.806   23.873 1.446411 31.35644 
1 1 1  -22   13   25 o  112.412   14.085  165.119   38.670  168.436   49.974  160.170   61.046  111.825   18.546  106.806   23.524 5.018959 29.95539 
1 1 1  -22   13   26 o  253.079   14.754  831.433   92.841  923.586  140.761  760.475  123.518  261.068   21.790  237.385   21.055 23.68266 30.30072 
1 1 1  -22   13   27 o  120.600   18.232  195.602   53.193  173.792   55.332  461.374  193.151  112.541   20.442  160.884   45.850 -48.34267 50.20061 
1 1 1  -22   13   28 o   73.093   20.407   74.058   38.673   78.602   39.633 -16.2963  176.737   75.197   20.530   82.443   37.816 -7.246445 43.02965 
1 1 1  -22   13   29 o  132.646   17.795  236.391   57.460  209.607   59.991  533.889  199.936  123.602   20.129  171.398   45.827 -47.79662 50.05265 
1 1 1  -22   13   30 o  111.019   19.002  168.806   50.786  164.862   52.577  223.734  196.221  109.177   20.023  112.321   45.333 -3.143684 49.55764 
1 1 1  -22   13   31 o   85.527   20.552  103.218   43.348  114.421   44.344 -137.7140  205.643   90.292   20.175   75.715   36.497 14.57690 41.70188 
1 1 1  -22   13   32 o  117.133   19.775  190.583   55.783  212.415   57.962 -83.4957  205.366  124.045   19.343   78.460   37.461 45.58529 42.15982 
1 1 1  -22   14    1 o   42.133   17.696   5.7951   31.510   38.032   38.777 -56.8694   54.065   57.308   20.881   41.287   19.572 16.02045 28.61969 
1 1 1  -22   14    2 o  225.920   12.068  653.662   67.837  662.467   89.590  641.831  103.855  225.313   16.027  219.783   19.113 5.530136 24.94364 
1 1 1  -22   14    3 o  136.644   13.604  241.797   45.803  248.192   58.853  231.973   72.942  136.846   17.632  129.494   23.419 7.352463 29.31439 
1 1 1  -22   14    4 o  106.629   15.427  149.540   39.884  157.564   50.528  136.277   64.960  108.009   19.449   97.964   26.089 10.04497 32.54050 
1 1 1  -22   14    5 o  152.027   12.543  296.790   47.192  260.945   60.632  351.877   75.164  140.575   17.662  162.968   18.815 -22.39285 25.80600 
1 1 1  -22   14    6 o  198.264   12.017  502.138   59.217  540.636   78.332  450.790   90.465  204.266   15.471  184.180   19.990 20.08650 25.27778 
1 1 1  -22   14    7 o  161.761   12.647  335.513   50.683  318.850   65.931  359.583   79.243  155.943   17.218  164.561   19.673 -8.618515 26.14375 
1 1 1  -22   14    8 o  303.649   12.474  1174.42   94.583  1187.33  127.790  1158.79  140.655  302.347   16.994  297.217   19.051 5.130615 25.52961 
1 1 1  -22   14    9 o  198.914   12.475  505.671   61.654  533.271   82.229  470.230   93.179  202.631   16.391  188.367   20.120 14.26422 25.95168 
1 1 1  -22   14   10 o  161.852   12.388  335.233   49.691  304.376   64.754  379.432   77.498  152.412   17.321  169.794   18.581 -17.38121 25.40212 
1 1 1  -22   14   11 o  225.490   12.189  648.444   68.383  658.735   91.213  635.236  103.331  225.434   16.313  219.931   19.001 5.503464 25.04313 
1 1 1  -22   14   12 o  140.100   13.128  252.396   45.393  237.316   58.788  274.664   71.437  134.123   18.007  143.363   20.541 -9.240112 27.31652 
1 1 1  -22   14   13 o  118.672   14.173  182.619   41.169  180.951   52.662  185.241   66.022  116.574   18.724  116.037   23.588 0.5371475 30.11630 
1 1 1  -22   14   14 o  124.326   13.810  199.897   42.151  183.457   54.294  224.837   66.872  117.183   19.221  129.023   21.513 -11.83996 28.84832 
1 1 1  -22   14   15 o  235.907   14.966  717.505   87.707  807.653  160.255  678.956  104.795  242.186   26.955  227.516   18.608 14.66991 32.75410 
1 1 1  -22   14   16 o  139.796   17.262  256.866   58.982  256.866   58.982   0.0000   0.0000  139.796   17.262  ?   ?  0.000000 17.26226 
1 1 1  -22   14   17 o  186.555   12.386  445.304   57.372  435.689   75.823  458.182   87.750  182.686   16.809  186.205   19.144 -3.518295 25.47625 
1 1 1  -22   14   18 o  233.622   12.345  697.565   71.764  735.724   96.683  650.747  107.092  237.893   16.375  221.824   19.532 16.06880 25.48782 
1 1 1  -22   14   19 o  150.274   12.846  290.482   47.742  287.728   62.799  294.254   73.489  147.813   17.343  148.076   20.417 -0.2626190 26.78874 
1 1 1  -22   14   20 o   50.700   18.185   29.403   29.261   31.683   35.816   24.826   50.740   54.009   20.004   57.182   23.062 -3.173378 30.52850 
1 1 1  -22   14   21 o  148.644   12.656  284.397   46.533  251.345   60.679  331.584   72.501  137.532   18.108  157.917   18.752 -20.38475 26.06786 
1 1 1  -22   14   22 o  213.029   11.753  580.398   62.282  554.446   83.656  612.671   93.291  205.904   16.406  215.872   17.455 -9.967529 23.95487 
1 1 1  -22   14   23 o  172.264   12.240  381.142   52.309  318.267   68.912  466.628   80.353  154.735   18.181  188.198   17.291 -33.46265 25.09021 
1 1 1  -22   14   24 o  131.998   13.402  226.046   43.563  213.935   56.251  244.194   68.858  126.351   18.366  133.640   21.352 -7.289207 28.16379 
1 1 1  -22   14   25 o  150.408   13.516  293.302   50.225  261.826   68.446  330.022   73.928  138.879   20.339  156.766   19.292 -17.88721 28.03262 
1 1 1  -22   14   26 o  166.101   18.210  367.971   74.293  374.674   80.206  327.473  197.141  166.782   19.634  133.423   47.272 33.35820 51.18690 
1 1 1  -22   14   27 o  160.561   19.549  348.161   76.763  348.161   76.763   0.0000   0.0000  160.561   19.549  ?   ?  0.000000 19.54877 
1 1 1  -22   14   28 o   63.406   20.739   53.539   37.821   67.423   38.561 -298.0881  194.059   69.855   20.660   65.522   32.382 4.333672 38.41133 
1 1 1  -22   14   29 o   41.641   17.283   8.2491   29.537   16.915   29.913 -330.4372  187.008   45.120   17.870   62.091   30.877 -16.97115 35.67514 
1 1 1  -22   14   30 o   88.599   20.450  110.329   44.326  116.539   45.481  -7.3016  197.950   91.086   20.491   84.720   39.274 6.365784 44.29857 
1 1 1  -22   14   31 o  121.906   18.473  203.209   54.473  193.144   56.280  352.443  216.714  118.065   19.789  128.091   48.823 -10.02564 52.68092 
1 1 1  -22   14   32 o   66.615   20.175   62.077   36.450   49.446   36.920  548.757  229.174   60.806   20.508  156.666   51.041 -95.86040 55.00681 
1 1 1  -22   15    1 o   95.268   23.783  129.842   56.406  158.977   60.942 -44.2942  148.989  105.646   23.685   73.782   34.157 31.86421 41.56575 
1 1 1  -22   15    2 o   69.429   23.476   64.164   48.379   60.895   51.092   92.523  150.465   68.605   24.089   91.864   38.631 -23.25899 45.52600 
1 1 1  -22   15    3 o  179.725   18.892  431.966   83.521  426.878   94.382  450.334  179.331  176.740   21.850  161.981   43.441 14.75977 48.62611 
1 1 1  -22   15    4 o   57.008   19.588   40.560   33.697   22.186   41.485   76.193   57.773   52.454   20.959   75.359   25.653 -22.90495 33.12608 
1 1 1  -22   15    5 o  123.556   14.245  199.135   43.146  204.567   54.508  190.022   70.602  123.652   18.197  115.809   25.135 7.843231 31.03032 
1 1 1  -22   15    6 o  115.522   14.699  174.675   41.442  171.102   52.487  180.590   67.534  112.493   19.384  113.249   24.585 -0.7561111 31.30773 
1 1 1  -22   15    7 o  230.241   11.951  677.875   68.474  657.968   90.806  704.114  104.254  224.568   16.304  231.137   18.210 -6.569107 24.44192 
1 1 1  -22   15    8 o  250.152   12.220  798.551   76.333  785.109  101.571  815.996  115.708  245.268   16.683  248.655   18.773 -3.386139 25.11444 
1 1 1  -22   15    9 o  148.038   13.043  282.370   47.724  260.608   61.380  315.634   75.888  140.265   17.934  153.387   20.312 -13.12141 27.09644 
1 1 1  -22   15   10 o  277.870   12.295  984.899   85.314  957.775  114.091  1019.30  128.492  270.991   16.945  278.395   18.590 -7.404083 25.15343 
1 1 1  -22   15   11 o  128.179   13.357  212.408   42.127  202.325   53.760  228.449   67.808  123.396   17.975  129.589   21.723 -6.192062 28.19488 
1 1 1  -22   15   12 o  105.298   15.316  145.667   39.093  124.636   49.486  180.580   63.760   95.219   21.340  114.315   23.130 -19.09634 31.47032 
1 1 1  -22   15   13 o   69.753   18.696   65.949   33.228   84.391   41.426   32.681   55.641   78.440   20.807   61.293   24.342 17.14732 32.02292 
1 1 1  -22   15   14 o  149.594   12.923  287.988   47.800  254.717   61.558  338.515   75.860  138.587   18.230  159.449   19.456 -20.86217 26.66158 
1 1 1  -22   15   15 o  145.661   13.302  273.687   47.852  284.698   61.734  257.112   75.740  147.083   17.129  136.982   22.954 10.10081 28.64022 
1 1 1  -22   15   16 o  182.905   12.487  428.980   56.694  433.586   74.832  422.774   86.860  182.064   16.643  178.077   19.872 3.986542 25.92064 
1 1 1  -22   15   17 o  242.177   12.302  750.401   74.151  724.719   99.053  783.140  111.837  235.452   16.960  243.772   18.510 -8.319550 25.10524 
1 1 1  -22   15   18 o  166.973   12.577  358.228   52.055  347.582   68.297  372.987   80.412  162.552   17.081  167.125   19.642 -4.572891 26.03015 
1 1 1  -22   15   19 o   83.675   17.017   94.238   34.346  125.263   43.381   42.121   56.225   96.173   18.737   64.058   24.754 32.11554 31.04524 
1 1 1  -22   15   20 o  100.309   15.279  132.832   37.063  122.048   46.888  150.794   60.511   94.204   20.513  103.554   23.887 -9.350418 31.48589 
1 1 1  -22   15   21 o   92.064   15.700  112.701   34.799   72.346   43.456  184.840   58.101   72.705   22.031  116.291   20.769 -43.58649 30.27715 
1 1 1  -22   15   22 o   80.469   17.180   87.651   33.472  100.779   41.695   63.858   56.133   85.538   19.895   70.859   25.212 14.67818 32.11636 
1 1 1  -22   15   23 o   83.169   16.945   93.432   33.998  111.870   42.440   60.404   56.801   90.320   19.396   69.729   25.293 20.59040 31.87361 
1 1 1  -22   15   24 o   53.610   18.401   35.629   29.731   35.951   36.323   34.976   51.753   55.646   20.220   60.162   23.608 -4.515274 31.08314 
1 1 1  -22   15   25 o  138.162   18.124  255.691   61.023  234.767   64.241  448.970  195.249  131.230   20.255  157.336   46.476 -26.10611 50.69817 
1 1 1  -22   15   26 o   78.347   20.909   85.695   41.669   85.572   42.711   88.120  189.779   78.222   21.294   95.764   41.856 -17.54193 46.96130 
1 1 1  -22   15   27 o   65.012   20.654   57.117   37.690   56.763   38.409   66.310  195.729   64.926   20.873   93.308   41.565 -28.38276 46.51131 
1 1 1  -22   15   28 o   99.276   20.356  137.137   48.771  140.068   50.229   88.829  203.921  100.165   20.763   95.884   42.585 4.281601 47.37675 
1 1 1  -22   15   29 o  144.502   18.491  282.915   65.195  272.787   68.093  394.371  225.896  141.023   19.888  136.110   50.272 4.913116 54.06321 
1 1 1  -22   15   30 o  111.896   19.694  173.503   53.020  180.416   54.778   70.925  211.010  113.998   19.970   92.762   42.077 21.23569 46.57543 
1 1 1  -22   15   31 o  106.635   19.770  158.722   50.707  161.649   52.109  106.511  220.069  107.415   20.167   95.727   43.238 11.68753 47.70956 
1 1 1  -22   16    1 o   86.272   24.097  107.952   53.910   70.763   56.967  426.879  166.822   72.277   25.432  154.568   42.086 -82.29159 49.17360 
1 1 1  -22   16    2 o   76.371   24.064   82.463   51.247   92.094   54.245   2.4993  156.308   80.179   24.677   79.485   36.116 0.6932068 43.74130 
1 1 1  -22   16    3 o  173.066   19.439  405.547   82.559  410.541   93.058  387.086  178.922  172.213   22.153  144.982   44.849 27.23186 50.02154 
1 1 1  -22   16    4 o   50.600   21.005   14.177   43.639   5.1461   45.478  119.102  155.017   48.905   20.927   95.879   39.678 -46.97408 44.85822 
1 1 1  -22   16    5 o  141.586   19.591  271.713   67.411  234.387   73.152  481.896  173.588  129.148   23.550  169.157   41.424 -40.00957 47.65073 
1 1 1  -22   16    6 o  150.550   19.313  305.497   70.935  273.578   77.113  481.092  180.867  140.409   22.773  167.826   42.971 -27.41652 48.63292 
1 1 1  -22   16    7 o  140.654   19.501  267.060   66.652  233.251   72.140  464.261  174.227  129.359   23.184  166.497   41.929 -37.13747 47.91146 
1 1 1  -22   16    8 o  135.011   15.388  239.283   50.954  264.186   71.105  212.995   73.055  139.125   21.131  122.794   24.681 16.33072 32.49086 
1 1 1  -22   16    9 o   74.507   18.842   76.063   35.080   64.845   43.392   97.226   59.601   69.395   22.173   83.155   25.911 -13.75953 34.10341 
1 1 1  -22   16   10 o  129.010   13.945  216.577   44.212  216.910   56.258  216.039   71.495  127.363   18.207  124.304   23.900 3.058029 30.04515 
1 1 1  -22   16   11 o   38.357   16.642  -2.2532   29.536  -0.1336   35.581  -6.9502   52.967   42.643   18.383   49.799   21.930 -7.155544 28.61576 
1 1 1  -22   16   12 o   73.192   19.294   73.355   35.765   56.097   43.825  107.766   61.884   65.896   22.343   87.216   26.259 -21.31931 34.47844 
1 1 1  -22   16   13 o   94.033   16.750  118.278   37.890   97.478   47.382  155.171   63.103   83.632   22.285  104.761   24.550 -21.12852 33.15591 
1 1 1  -22   16   14 o   34.140   15.598 -17.6755   29.664 -39.2507   36.086   27.286   52.094   33.919   16.053   58.210   23.405 -24.29121 28.38168 
1 1 1  -22   16   15 o   73.293   19.187   73.536   35.528   66.473   42.636   89.582   64.265   70.120   21.926   80.860   27.058 -10.73956 34.82679 
1 1 1  -22   16   16 o  109.659   14.875  157.941   39.681  160.867   50.557  153.246   64.038  108.966   19.285  103.863   24.993 5.103111 31.56860 
1 1 1  -22   16   17 o  251.827   12.539  811.914   78.851  784.750  105.661  846.056  118.457  244.247   17.438  252.526   18.922 -8.279388 25.73207 
1 1 1  -22   16   18 o  117.612   14.054  180.543   40.459  175.432   51.956  188.418   64.492  113.992   18.915  116.283   23.024 -2.290787 29.79725 
1 1 1  -22   16   19 o   69.964   18.501   66.878   32.819   55.842   40.323   88.534   56.486   65.115   21.419   79.770   25.278 -14.65541 33.13265 
1 1 1  -22   16   20 o  129.642   13.685  218.630   43.635  187.896   56.140  265.534   69.352  117.532   19.834  139.818   20.469 -22.28654 28.50204 
1 1 1  -22   16   21 f   93.790   16.374  117.744   36.954  143.206   47.141   77.156   59.519  102.547   19.112   75.773   26.033 26.77412 32.29561 
1 1 1  -22   16   22 o   71.495   18.571   70.115   33.453   60.180   41.844   87.714   55.689   67.062   21.808   79.217   25.099 -12.15538 33.24962 
1 1 1  -22   16   23 o  170.685   18.333  389.076   76.916  387.787   83.096  396.791  203.245  169.358   20.037  145.244   48.103 24.11325 52.10933 
1 1 1  -22   16   24 o  159.541   19.093  342.689   74.557  362.642   80.301  217.979  200.756  163.562   20.082  114.059   45.917 49.50307 50.11639 
1 1 1  -22   16   25 o  112.805   19.780  174.418   53.687  167.817   55.739  259.181  199.738  109.980   21.062  119.753   46.549 -9.772438 51.09224 
1 1 1  -22   16   26 f  102.040   20.438  144.514   50.263  146.416   51.933  116.341  199.858  102.458   21.003   99.152   43.154 3.306236 47.99364 
1 1 1  -22   16   27 o  102.618   20.449  146.530   50.562  151.841   52.260   68.784  199.958  104.338   20.787   93.133   41.710 11.20521 46.60302 
1 1 1  -22   16   28 o  150.735   18.959  308.824   69.786  320.732   73.608  203.002  219.438  153.167   19.701  108.868   46.261 44.29865 50.28126 
1 1 1  -22   16   29 o  134.543   18.701  247.010   61.134  231.740   63.550  436.407  223.813  129.275   20.359  141.529   50.344 -12.25363 54.30484 
1 1 1  -22   16   30 o  174.941   18.754  417.072   80.652  406.527   85.184  508.343  250.605  171.514   20.281  145.653   53.082 25.86086 56.82486 
1 1 1  -22   16   31 o   86.126   20.963  106.273   44.660  109.838   45.572   19.840  224.391   87.519   21.098   87.503   40.978 0.1625061E-01 46.09024 
1 1 1  -22   17    1 o  117.241   23.335  198.455   65.916  199.746   70.866  190.169  179.510  116.417   25.114  103.767   42.799 12.64990 49.62294 
1 1 1  -22   17    2 o  138.643   21.232  268.822   71.170  242.717   77.132  418.376  184.614  129.175   24.813  145.721   45.636 -16.54578 51.94527 
1 1 1  -22   17    3 f  170.781   19.852  399.634   83.084  397.012   92.917  410.094  185.575  167.993   22.733  144.944   45.806 23.04919 51.13677 
1 1 1  -22   17    4 o   81.779   24.281   96.577   53.183   86.506   56.020  188.531  169.277   77.871   25.227  105.808   42.316 -27.93756 49.26462 
1 1 1  -22   17    5 o   71.094   23.951   69.120   50.356   51.960   52.731  246.824  169.691   65.315   24.256  116.738   43.481 -51.42352 49.78923 
1 1 1  -22   17    6 o   84.863   24.190  103.612   53.759  113.887   56.765   14.231  167.423   88.686   24.711   82.989   37.577 5.697350 44.97427 
1 1 1  -22   17    7 o   99.895   22.655  141.452   55.213  120.585   58.218  328.067  174.100   91.293   24.864  133.714   44.532 -42.42162 51.00352 
1 1 1  -22   17    8 o   65.666   22.884   55.777   46.070   69.615   48.015 -104.6704  163.495   71.379   23.368   71.405   33.903 -0.2625275E-01 41.17595 
1 1 1  -22   17    9 o   49.672   20.428   15.169   40.750   8.8369   42.123  107.577  160.919   48.402   20.402   95.030   39.956 -46.62798 44.86306 
1 1 1  -22   17   10 o   48.148   20.164   10.129   40.720   6.3536   42.041   67.399  163.741   47.685   20.255   90.007   39.117 -42.32168 44.05003 
1 1 1  -22   17   11 o   64.635   22.598   53.243   44.943   40.869   46.565  221.637  171.779   60.433   22.724  114.930   43.548 -54.49738 49.12082 
1 1 1  -22   17   12 o  149.901   18.585  301.324   68.076  256.950   73.042  594.762  187.831  136.305   22.225  190.289   40.756 -53.98387 46.42201 
1 1 1  -22   17   13 o  241.098   42.196  958.235  244.794   0.0000   0.0000  958.235  244.794  ?   ?   241.098   42.196 0.000000 42.19597 
1 1 1  -22   17   14 f   95.416   23.104  128.663   54.463  128.663   54.463   0.0000   0.0000   95.416   23.104  ?   ?  0.000000 23.10392 
1 1 1  -22   17   15 o   60.241   21.591   44.011   41.239   41.919   42.415   80.191  176.377   59.732   21.828   93.892   40.702 -34.16055 46.18514 
1 1 1  -22   17   16 o  252.023   18.062  841.940  112.921  703.315  128.261  1319.72  238.114  226.201   23.028  297.789   32.550 -71.58821 39.87227 
1 1 1  -22   17   17 o  204.455   18.831  558.287   95.064  557.356  106.229  562.034  213.016  202.462   21.332  176.409   47.360 26.05360 51.94218 
1 1 1  -22   17   18 o  126.751   19.362  217.754   59.339  187.325   62.105  536.757  201.085  115.967   22.255  174.238   45.663 -58.27081 50.79715 
1 1 1  -22   17   19 o   91.632   21.709  117.669   48.913  109.760   50.705  223.677  185.636   88.101   22.853  115.226   44.852 -27.12477 50.33805 
1 1 1  -22   17   20 o  178.199   18.716  425.278   82.043  414.560   88.504  490.741  218.734  174.637   20.697  159.946   49.606 14.69087 53.75087 
1 1 1  -22   17   21 o   63.984   21.530   53.654   40.690   41.316   41.645  313.368  191.072   59.182   21.628  130.239   46.496 -71.05701 51.28017 
1 1 1  -22   17   22 o  120.099   20.246  197.854   58.559  205.590   61.304  117.230  197.906  122.159   20.844   99.889   43.208 22.26935 47.97277 
1 1 1  -22   17   23 o   69.051   21.718   65.307   41.762   70.485   42.771 -40.6506  193.467   71.381   21.902   82.624   38.480 -11.24271 44.27641 
1 1 1  -22   17   24 o  198.467   18.253  527.180   89.451  477.829   96.638  822.419  236.368  186.836   21.081  216.003   45.269 -29.16685 49.93687 
1 1 1  -22   17   25 o   83.436   21.474   98.351   45.005   87.731   46.068  320.426  210.665   78.700   22.379  127.317   48.230 -48.61661 53.16916 
1 1 1  -22   17   26 o   81.502   21.634   94.194   44.765   79.668   45.761  416.908  215.688   75.113   22.573  142.109   49.516 -66.99590 54.41876 
1 1 1  -22   17   27 o  124.235   19.175  211.562   57.572  194.564   59.549  454.964  225.336  118.053   20.968  145.612   50.619 -27.55896 54.78948 
1 1 1  -22   17   28 o  165.147   18.574  370.402   75.270  349.830   79.359  554.785  237.579  159.137   20.442  158.595   51.983 0.5420074 55.85798 
1 1 1  -22   17   29 o  174.003   18.594  412.292   79.543  392.661   83.971  583.852  248.232  168.406   20.382  158.395   53.178 10.01086 56.95023 
1 1 1  -22   17   30 o  111.723   19.782  174.610   53.171  168.472   54.550  291.421  237.964  109.114   20.779  114.612   48.410 -5.497665 52.68062 
1 1 1  -22   18    2 o   65.127   24.169   54.379   52.335   44.276   54.705  163.467  179.756   62.392   24.331   98.382   41.839 -35.98901 48.39896 
1 1 1  -22   18    3 o  119.483   22.679  205.135   65.192  169.497   69.785  449.424  182.710  105.886   26.465  150.443   45.081 -44.55653 52.27528 
1 1 1  -22   18    4 o   53.828   22.042   22.284   47.192   32.019   49.273 -85.7050  164.111   57.457   22.879   70.969   33.774 -13.51147 40.79378 
1 1 1  -22   18    5 o   63.791   23.480   50.925   49.206   29.912   51.278  295.206  174.837   57.577   23.197  122.736   44.397 -65.15916 50.09206 
1 1 1  -22   18    6 o   50.143   21.129   11.621   45.160   14.385   46.805 -25.6278  171.813   51.593   21.613   78.331   36.408 -26.73877 42.33967 
1 1 1  -22   18    7 o   47.244   20.286   4.3436   43.001   12.838   44.485 -116.6410  167.884   50.261   21.064   70.183   33.607 -19.92191 39.66218 
1 1 1  -22   18    8 o   59.186   22.423   39.502   45.536   32.176   47.204  137.732  172.854   57.228   22.517   98.318   41.378 -41.08982 47.10839 
1 1 1  -22   18    9 o   47.980   20.147   10.215   40.826   7.1320   42.131   57.662  165.295   47.699   20.269   87.262   38.568 -39.56343 43.56949 
1 1 1  -22   18   10 o  101.997   22.398  147.516   55.488  129.890   58.356  313.704  179.188   94.652   24.499  129.044   45.123 -34.39162 51.34477 
1 1 1  -22   18   11 o   33.441   15.876 -39.9539   35.832 -54.4059   36.621  284.582  173.539   31.589   15.270  124.393   44.322 -92.80390 46.87838 
1 1 1  -22   18   12 o   89.012   23.622  113.647   53.379  100.084   55.581  274.700  191.526   83.447   24.832  121.547   46.001 -38.10022 52.27533 
1 1 1  -22   18   13 o  128.177   20.907  226.751   64.612  242.032   68.635  107.715  191.557  132.134   21.543   97.359   42.311 34.77484 47.47951 
1 1 1  -22   18   14 o   70.496   22.700   68.163   45.412   66.836   46.918   87.855  180.727   70.090   23.107   93.920   40.953 -23.83031 47.02233 
1 1 1  -22   18   15 o  140.026   19.608  266.723   66.685  260.387   70.744  317.238  199.742  137.344   21.318  128.906   47.328 8.438187 51.90713 
1 1 1  -22   18   16 o  120.569   20.887  200.858   60.609  207.621   63.662  135.385  198.080  122.204   21.654  101.613   43.583 20.59190 48.66563 
1 1 1  -22   18   17 o   82.470   22.728   96.460   48.308   81.648   49.775  336.608  200.429   76.277   23.665  132.333   47.581 -56.05626 53.14102 
1 1 1  -22   18   18 o   73.724   22.579   75.788   45.479   66.658   46.714  241.724  199.153   70.015   23.055  116.483   46.118 -46.46793 51.55959 
1 1 1  -22   18   19 o   94.770   21.633  126.350   50.070  115.885   51.785  276.539  196.175   90.199   22.938  122.063   46.469 -31.86333 51.82224 
1 1 1  -22   18   20 o  137.285   19.586  256.700   65.243  245.499   68.672  360.552  209.102  133.195   21.369  135.121   48.598 -1.926315 53.08817 
1 1 1  -22   18   21 o  134.430   20.072  247.470   65.318  259.857   68.716  131.430  210.319  137.466   20.657  101.503   44.222 35.96254 48.80825 
1 1 1  -22   18   22 o   70.313   22.039   68.386   43.047   71.835   44.113  -0.4371  197.055   71.852   22.276   86.077   39.648 -14.22580 45.47760 
1 1 1  -22   18   23 o  122.619   20.409  207.669   60.295  210.052   62.990  181.596  208.393  122.822   21.310  106.712   45.200 16.11025 49.97141 
1 1 1  -22   18   24 o  161.096   18.457  350.593   72.912  304.781   76.893  758.964  229.574  148.214   21.395  203.495   46.229 -55.28085 50.93973 
1 1 1  -22   18   25 o   87.724   21.640  109.504   47.111   99.472   48.225  319.214  220.487   83.284   22.608  124.128   48.721 -40.84446 53.71119 
1 1 1  -22   18   26 o  130.836   19.611  235.711   62.099  228.326   64.345  335.986  237.097  127.986   20.851  124.165   49.930 3.821426 54.10887 
1 1 1  -22   18   27 o   63.970   21.508   55.245   40.606   60.260   41.291 -92.0096  223.748   66.195   21.670   80.664   38.671 -14.46908 44.32883 
1 1 1  -22   18   28 f   92.449   21.283  122.211   48.116  121.446   49.175  139.414  233.175   91.914   21.761   99.157   44.672 -7.243080 49.69073 
1 1 1  -22   18   29 o  207.406   19.268  591.026   98.655  568.656  106.106  733.731  267.992  201.291   21.439  173.816   55.058 27.47440 59.08473 
1 1 1  -22   19    5 o   53.141   21.892   21.164   46.896   28.703   48.808 -69.4417  169.208   56.028   22.611   72.379   34.401 -16.35062 41.16665 
1 1 1  -22   19    6 o  113.671   23.272  187.525   63.834  182.776   67.883  223.821  187.656  110.956   25.088  107.677   44.008 3.278572 50.65687 
1 1 1  -22   19    7 o   56.977   22.536   32.390   47.513   23.231   49.217  157.851  182.152   54.782   22.481   99.018   42.113 -44.23592 47.73772 
1 1 1  -22   19    8 o  129.298   22.080  236.806   68.732  233.424   73.324  261.300  197.335  127.037   23.993  114.435   45.716 12.60148 51.62922 
1 1 1  -22   19    9 o   75.017   23.815   80.349   50.118   67.940   52.105  233.843  183.252   70.389   24.348  111.410   44.197 -41.02122 50.46028 
1 1 1  -22   19   10 o   90.932   23.969  120.629   55.197  122.405   57.707  101.534  189.227   91.280   24.711   93.869   41.388 -2.588936 48.20335 
1 1 1  -22   19   11 o   65.942   23.327   57.006   47.987   50.799   49.726  141.132  183.062   64.022   23.598   98.691   42.102 -34.66979 48.26410 
1 1 1  -22   19   12 o  180.466   19.365  443.341   85.906  408.390   93.953  621.532  212.143  170.677   22.600  181.364   46.593 -10.68700 51.78471 
1 1 1  -22   19   13 o   94.499   23.890  129.465   56.408  129.465   56.408   0.0000   0.0000   94.499   23.890  ?   ?  0.000000 23.89040 
1 1 1  -22   19   14 o   46.796   19.652   9.5143   38.853   8.2204   39.684   39.455  190.897   46.810   19.770   88.273   40.033 -41.46361 44.64875 
1 1 1  -22   19   15 o  105.004   22.478  156.714   57.161  169.516   59.757   18.908  196.055  109.216   22.653   87.051   39.893 22.16470 45.87620 
1 1 1  -22   19   16 o   82.250   23.070   96.935   49.306   95.223   50.874  123.450  200.194   81.438   23.630   98.656   43.058 -17.21791 49.11565 
1 1 1  -22   19   17 o   72.923   22.909   74.512   46.484   64.970   47.683  257.013  208.544   69.153   23.307  116.522   46.838 -47.36823 52.31591 
1 1 1  -22   19   18 o   58.924   21.484   41.923   41.057   41.980   41.901   40.544  205.550   59.159   21.683   90.402   41.207 -31.24388 46.56401 
1 1 1  -22   19   19 o   78.939   22.700   88.817   47.139   93.206   48.418   8.9698  206.516   80.727   22.938   87.537   40.416 -6.810051 46.47160 
1 1 1  -22   19   20 o  104.934   21.619  155.289   54.764  149.689   56.720  232.311  210.361  102.377   22.774  112.619   46.376 -10.24250 51.66625 
1 1 1  -22   19   21 o   98.901   21.728  138.626   52.197  129.547   53.728  291.234  220.267   94.974   22.917  120.272   48.210 -25.29876 53.37949 
1 1 1  -22   19   22 o   50.940   20.191   23.210   38.215   22.564   38.847   42.574  212.757   50.961   20.307   90.701   41.563 -39.74014 46.25865 
1 1 1  -22   19   23 o  117.358   20.448  191.812   57.749  168.033   59.678  541.812  228.958  108.372   22.776  159.279   50.937 -50.90706 55.79715 
1 1 1  -22   19   24 o  110.539   21.230  172.259   56.473  156.873   58.124  431.599  238.633  104.416   22.920  137.236   51.475 -32.82040 56.34679 
1 1 1  -22   19   25 o   48.112   19.733   15.743   37.895   20.903   38.434 -164.3665  227.070   50.063   20.113   76.601   37.260 -26.53802 42.34233 
1 1 1  -22   19   26 o  111.549   20.905  175.666   56.092  167.587   57.668  317.431  241.573  108.187   22.093  118.652   49.352 -10.46476 54.07109 
1 1 1  -22   19   27 o   68.825   21.623   66.921   41.408   64.528   42.041  144.622  239.521   67.807   21.842   98.996   44.875 -31.18857 49.90807 
1 1 1  -22   19   28 o   78.073   22.171   88.659   45.247   88.951   46.039   80.371  245.086   78.126   22.424   92.900   43.280 -14.77319 48.74433 
1 1 1  -22   20    8 o   78.111   36.854 -30.8102  187.540   0.0000   0.0000 -30.8102  187.540  ?   ?    78.111   36.854 0.000000 36.85398 
1 1 1  -22   20    9 o   41.210   18.773 -18.6325   42.577 -23.5624   43.679   75.363  190.724   40.785   18.742   88.663   40.130 -47.87776 44.29124 
1 1 1  -22   20   10 o   39.977   18.229 -18.7642   40.272 -11.9984   41.302 -149.3323  181.438   42.036   18.882   69.147   33.559 -27.11159 38.50592 
1 1 1  -22   20   11 o   73.913   35.510 -106.6912  190.885   0.0000   0.0000 -106.6912  190.885  ?   ?    73.913   35.510 0.000000 35.50971 
1 1 1  -22   20   12 o  115.891   24.235  196.154   67.881  196.154   67.881   0.0000   0.0000  115.891   24.235  ?   ?  0.000000 24.23507 
1 1 1  -22   20   13 o  116.297   22.111  192.633   61.865  177.627   64.812  346.515  207.546  110.252   24.204  126.790   47.910 -16.53806 53.67642 
1 1 1  -22   20   14 o   61.602   22.342   47.846   44.316   39.368   45.306  235.505  213.154   58.760   22.341  110.375   46.171 -51.61529 51.29216 
1 1 1  -22   20   15 o   61.475   22.508   46.956   45.132   50.672   46.284 -24.9131  203.543   63.089   22.840   82.731   38.834 -19.64256 45.05238 
1 1 1  -22   20   16 o   93.756   22.591  126.770   52.266  111.391   53.928  364.821  212.173   87.261   23.999  130.098   48.588 -42.83717 54.19192 
1 1 1  -22   20   17 o  149.198   20.330  308.102   73.773  308.962   78.125  301.021  224.182  148.426   21.721  119.289   48.346 29.13610 53.00147 
1 1 1  -22   20   18 o   62.320   22.326   49.701   44.089   52.145   45.004  -8.6082  219.824   63.432   22.574   86.245   40.443 -22.81263 46.31610 
1 1 1  -22   20   19 o  101.051   21.552  145.234   52.725  114.739   54.157  699.090  230.798   88.565   23.923  187.081   48.868 -98.51540 54.40959 
1 1 1  -22   20   20 o  103.066   21.956  151.690   54.779  147.375   56.463  220.814  225.995  101.022   22.909  108.604   46.566 -7.581505 51.89621 
1 1 1  -22   20   21 o  143.831   19.420  284.752   67.969  246.267   70.744  746.678  245.094  131.736   22.301  189.535   50.766 -57.79855 55.44773 
1 1 1  -22   20   22 o  103.752   21.719  153.655   54.465  143.005   55.944  347.109  238.437   99.285   23.013  123.152   49.878 -23.86732 54.93100 
1 1 1  -22   20   23 f   98.357   22.231  139.469   53.320  137.374   54.691  179.683  239.613   97.228   22.903  103.114   45.956 -5.886337 51.34712 
1 1 1  -22   20   24 f  162.618   20.105  367.027   79.906  375.448   83.970  286.297  259.991  163.753   21.020  113.171   49.237 50.58260 53.53655 
1 1 1  -22   20   25 o   75.074   22.716   81.631   46.226   82.512   47.057   57.363  246.978   75.415   22.942   91.767   42.980 -16.35204 48.71923 
1 1 1  -22   20   26 o  103.968   21.437  155.237   53.806  148.870   55.052  291.214  254.397  101.183   22.381  111.860   48.686 -10.67652 53.58408 
1 1 1  -22   20   27 o   72.600   22.078   76.353   43.586   72.941   44.237  189.699  255.005   71.115   22.350  101.012   45.987 -29.89729 51.13050 
1 1 1  -22   21   13 o  101.942   23.274  152.786   57.946  128.225   60.092  478.442  218.809   92.068   25.339  142.718   49.865 -50.64997 55.93357 
1 1 1  -22   21   14 o   59.718   22.561   42.755   46.017   42.668   47.129   44.522  213.070   59.959   22.788   87.424   40.604 -27.46498 46.56174 
1 1 1  -22   21   15 o   82.781   24.173  101.625   53.089  106.777   54.549   9.2609  230.973   84.681   24.439   86.596   40.870 -1.915115 47.61977 
1 1 1  -22   21   16 o   95.154   23.008  132.629   54.070  111.504   55.658  486.931  227.941   86.462   24.603  143.280   50.823 -56.81737 56.46507 
1 1 1  -22   21   17 o  137.724   20.445  265.800   68.181  219.962   70.993  810.310  244.684  122.581   24.051  197.095   49.719 -74.51406 55.23045 
1 1 1  -22   21   18 o   53.019   21.046   26.829   41.577   28.997   42.298 -35.1097  226.069   53.997   21.293   83.154   39.592 -29.15768 44.95446 
1 1 1  -22   21   19 o  141.943   20.847  283.309   71.693  288.474   74.975  228.161  244.990  142.574   21.747  106.502   47.018 36.07163 51.80378 
1 1 1  -22   21   20 o  138.615   20.607  269.854   69.161  260.388   71.998  382.935  248.849  135.033   22.118  123.822   50.650 11.21104 55.26882 
1 1 1  -22   21   21 o   35.823   16.463 -19.8173   33.707 -19.0987   34.061 -53.9242  234.659   36.206   16.605   82.544   39.580 -46.33831 42.92239 
1 1 1  -22   21   22 o   51.149   20.561   23.025   40.190   25.723   40.796 -65.7737  234.057   52.272   20.817   81.480   39.190 -29.20823 44.37549 
1 1 1  -22   21   23 o   65.776   22.594   59.783   44.828   55.744   45.595  176.931  245.556   64.295   22.739  100.174   45.420 -35.87902 50.79398 
1 1 1  -22   21   24 o   46.873   19.663   11.705   38.826   7.7549   39.283  178.747  255.453   45.912   19.542   99.898   45.691 -53.98632 49.69468 
1 1 1  -22   21   25 o   48.132   19.848   16.268   38.601   23.103   39.035 -285.6064  259.409   50.561   20.285   72.697   36.185 -22.13591 41.48333 
1 1 1  -22   21   26 o  115.263   21.543  191.970   59.729  177.455   61.140  495.435  279.556  109.641   23.062  127.836   53.124 -18.19423 57.91376 
1 1 1  -21  -32    1 o   56.183   24.138   42.282   60.943   0.0000   0.0000   42.282   60.943  ?   ?    56.183   24.138 0.000000 24.13794 
1 1 1  -21  -32    2 o   61.115   25.552   66.029   65.235   0.0000   0.0000   66.029   65.235  ?   ?    61.115   25.552 0.000000 25.55199 
1 1 1  -21  -31    1 o   50.040   18.286   34.579   29.768  118.489  198.133   32.641   30.110   74.595   35.923   49.230   18.320 25.36564 40.32501 
1 1 1  -21  -31    2 o   63.993   26.183   68.023   66.518   0.0000   0.0000   68.023   66.518  ?   ?    63.993   26.183 0.000000 26.18306 
1 1 1  -21  -31    3 o   67.746   26.786   86.413   67.101   0.0000   0.0000   86.413   67.101  ?   ?    67.746   26.786 0.000000 26.78611 
1 1 1  -21  -31    4 o   54.989   24.042   37.710   62.656   0.0000   0.0000   37.710   62.656  ?   ?    54.989   24.042 0.000000 24.04177 
1 1 1  -21  -30    1 o   80.181   18.076   94.974   35.328   41.455  185.766   96.982   35.985   72.987   35.056   80.935   18.241 -7.948067 39.51756 
1 1 1  -21  -30    2 o   67.572   18.981   69.435   33.350 -16.6494  191.869   72.117   33.866   68.374   33.472   68.819   19.055 -0.4442215 38.51604 
1 1 1  -21  -30    3 o   56.013   24.471   29.041   64.809   0.0000   0.0000   29.041   64.809  ?   ?    56.013   24.471 0.000000 24.47131 
1 1 1  -21  -30    4 o   94.032   29.768  177.350   78.348   0.0000   0.0000  177.350   78.348  ?   ?    94.032   29.768 0.000000 29.76793 
1 1 1  -21  -30    5 o   63.593   26.271   68.734   67.788   0.0000   0.0000   68.734   67.788  ?   ?    63.593   26.271 0.000000 26.27117 
1 1 1  -21  -30    6 o   75.904   28.124  120.925   70.808   0.0000   0.0000  120.925   70.808  ?   ?    75.904   28.124 0.000000 28.12388 
1 1 1  -21  -29    1 o  107.437   15.426  159.934   40.200  362.200  183.115  149.692   41.206  113.919   44.490  103.144   16.558 10.77489 47.47091 
1 1 1  -21  -29    2 o   92.710   17.082  122.933   38.090  249.566  185.678  117.370   38.918   95.128   41.494   89.955   17.954 5.172928 45.21193 
1 1 1  -21  -29    3 o   83.391   17.863  101.799   36.077  113.398  187.010  101.351   36.768   79.335   37.234   82.940   18.248 -3.605621 41.46529 
1 1 1  -21  -29    4 o   98.011   30.132  182.083   80.904   0.0000   0.0000  182.083   80.904  ?   ?    98.011   30.132 0.000000 30.13155 
1 1 1  -21  -29    5 o   48.104   22.227 -12.1683   62.651   0.0000   0.0000 -12.1683   62.651  ?   ?    48.104   22.227 0.000000 22.22733 
1 1 1  -21  -29    6 o   46.485   21.678 -17.5815   61.740   0.0000   0.0000 -17.5815   61.740  ?   ?    46.485   21.678 0.000000 21.67850 
1 1 1  -21  -29    7 o   77.877   28.084  121.088   69.882   0.0000   0.0000  121.088   69.882  ?   ?    77.877   28.084 0.000000 28.08443 
1 1 1  -21  -28    1 o   95.877   19.710  133.510   45.613  269.929  170.172  122.950   47.345  106.366   42.466   90.899   21.240 15.46724 47.48182 
1 1 1  -21  -28    2 o  113.642   15.195  177.082   42.040  267.274  173.826  171.479   43.326  103.714   42.368  111.242   16.062 -7.527954 45.31046 
1 1 1  -21  -28    3 o   88.310   17.440  111.450   37.095   31.312  177.021  115.131   37.937   75.259   35.599   89.713   17.563 -14.45433 39.69574 
1 1 1  -21  -28    4 o   41.687   16.853   14.937   27.170   10.697  173.756   15.043   27.509   72.198   34.467   41.883   16.949 30.31527 38.40942 
1 1 1  -21  -28    5 o   81.225   29.203  118.549   75.498   0.0000   0.0000  118.549   75.498  ?   ?    81.225   29.203 0.000000 29.20275 
1 1 1  -21  -28    6 f   59.513   25.575   37.647   68.446   0.0000   0.0000   37.647   68.446  ?   ?    59.513   25.575 0.000000 25.57503 
1 1 1  -21  -28    7 o   96.334   29.419  176.341   77.272   0.0000   0.0000  176.341   77.272  ?   ?    96.334   29.419 0.000000 29.41916 
1 1 1  -21  -28    8 o   89.087   29.644  158.569   77.156   0.0000   0.0000  158.569   77.156  ?   ?    89.087   29.644 0.000000 29.64442 
1 1 1  -21  -27    1 o   85.027   17.358  101.248   35.608  255.594  159.826   93.187   36.526  109.647   41.896   80.955   18.475 28.69143 45.78854 
1 1 1  -21  -27    2 o  129.404   18.068  233.809   56.794  413.226  174.125  212.450   60.079  135.565   44.506  121.466   20.539 14.09858 49.01682 
1 1 1  -21  -27    3 o  115.783   15.106  182.560   42.636  339.146  175.289  172.713   43.956  118.382   44.173  111.901   16.202 6.481178 47.05046 
1 1 1  -21  -27    4 o  137.201   14.544  254.949   49.072  311.385  182.290  250.540   50.953  110.086   43.952  135.422   15.337 -25.33637 46.55113 
1 1 1  -21  -27    5 o   52.795   17.957   38.054   28.307  147.715  151.544   34.089   28.815   86.778   37.673   50.930   18.069 35.84855 41.78211 
1 1 1  -21  -27    6 o   53.046   24.020  -2.2234   68.409   0.0000   0.0000  -2.2234   68.409  ?   ?    53.046   24.020 0.000000 24.01954 
1 1 1  -21  -27    7 o   45.753   21.383 -28.6690   60.579   0.0000   0.0000 -28.6690   60.579  ?   ?    45.753   21.383 0.000000 21.38311 
1 1 1  -21  -27    8 o   44.193   20.913 -38.5434   61.215   0.0000   0.0000 -38.5434   61.215  ?   ?    44.193   20.913 0.000000 20.91341 
1 1 1  -21  -27    9 o   81.747   29.086  127.482   74.712   0.0000   0.0000  127.482   74.712  ?   ?    81.747   29.086 0.000000 29.08614 
1 1 1  -21  -26    1 o   71.414   18.314   71.680   32.817   19.283  148.447   74.372   33.650   77.238   35.134   72.686   18.494 4.551682 39.70398 
1 1 1  -21  -26    2 o   31.035   14.041 -10.4182   23.316  114.158  151.213 -13.4522   23.598   88.745   38.072   30.380   13.892 58.36544 40.52723 
1 1 1  -21  -26    3 o   46.523   18.332   20.606   31.328   4.4215  157.118   21.276   31.970   75.227   34.915   47.046   18.525 28.18129 39.52467 
1 1 1  -21  -26    4 o   62.681   18.896   55.785   32.030   48.151  154.786   56.126   32.739   78.523   35.779   62.846   19.140 15.67661 40.57689 
1 1 1  -21  -26    5 o   99.194   16.482  136.497   39.395   24.295  152.212  144.552   40.785   74.682   34.556  102.082   16.567 -27.40038 38.32265 
1 1 1  -21  -26    6 o   83.326   17.403   98.640   35.044  154.302  154.425   95.618   35.983   89.379   38.412   81.614   18.127 7.764168 42.47478 
1 1 1  -21  -26    7 o   49.184   22.427 -12.7457   60.957   0.0000   0.0000 -12.7457   60.957  ?   ?    49.184   22.427 0.000000 22.42722 
1 1 1  -21  -26    8 o  146.385   27.748  353.108   97.720   0.0000   0.0000  353.108   97.720  ?   ?   146.385   27.748 0.000000 27.74777 
1 1 1  -21  -26    9 o   93.139   29.607  157.806   77.440   0.0000   0.0000  157.806   77.440  ?   ?    93.139   29.607 0.000000 29.60653 
1 1 1  -21  -26   10 f  122.895   29.863  273.152   90.746   0.0000   0.0000  273.152   90.746  ?   ?   122.895   29.863 0.000000 29.86284 
1 1 1  -21  -25    1 o   52.818   18.399   34.779   29.779  -3.5360  142.704   36.523   30.449   75.553   34.398   53.827   18.613 21.72636 39.11140 
1 1 1  -21  -25    2 o  142.997   14.053  269.281   49.535  406.949  163.366  255.342   51.982  148.430   42.121  138.572   15.276 9.857468 44.80502 
1 1 1  -21  -25    3 o   86.987   17.996  105.177   37.802   47.775  153.187  108.900   39.009   81.678   36.549   88.423   18.271 -6.745087 40.86095 
1 1 1  -21  -25    4 o   72.914   20.183   76.132   37.998   86.022  136.603   75.302   39.559   83.771   36.067   72.391   20.789 11.37966 41.62897 
1 1 1  -21  -25    5 o   66.970   18.020   63.372   30.798  224.031  141.061   55.330   31.559  106.971   39.683   62.702   18.724 44.26846 43.87866 
1 1 1  -21  -25    6 o   63.280   17.960   56.688   29.700  145.842  147.400   52.916   30.322   91.085   38.266   61.250   18.368 29.83508 42.44580 
1 1 1  -21  -25    7 o  142.457   14.523  273.166   50.942   72.681  157.778  296.497   53.824   80.627   36.496  148.313   14.727 -67.68642 39.35550 
1 1 1  -21  -25    8 o   97.376   29.620  161.920   78.442   0.0000   0.0000  161.920   78.442  ?   ?    97.376   29.620 0.000000 29.61952 
1 1 1  -21  -25    9 o   67.727   27.330   62.212   71.308   0.0000   0.0000   62.212   71.308  ?   ?    67.727   27.330 0.000000 27.33025 
1 1 1  -21  -25   10 o   72.251   27.794   82.571   70.638   0.0000   0.0000   82.571   70.638  ?   ?    72.251   27.794 0.000000 27.79422 
1 1 1  -21  -25   11 o   69.780   27.598   76.492   71.247   0.0000   0.0000   76.492   71.247  ?   ?    69.780   27.598 0.000000 27.59781 
1 1 1  -21  -24    1 o   58.518   18.729   45.178   30.949 -71.7227  139.492   51.231   31.740   69.009   32.314   61.684   18.858 7.325073 37.41426 
1 1 1  -21  -24    2 o   43.323   17.214   14.953   27.839 -151.8777  136.268   22.220   28.439   60.721   29.377   46.705   17.714 14.01624 34.30445 
1 1 1  -21  -24    3 o   57.767   18.817   44.168   31.148  -5.7910  142.114   46.689   31.924   75.474   34.349   59.133   19.032 16.34132 39.26897 
1 1 1  -21  -24    4 o  154.044   13.940  311.618   53.043  286.089  144.692  315.582   57.012  125.447   40.533  154.457   14.969 -29.01054 43.20833 
1 1 1  -21  -24    5 o   95.592   18.598  127.103   42.798  105.224  133.346  129.615   45.188   87.774   36.601   96.098   19.497 -8.323730 41.46979 
1 1 1  -21  -24    6 o   56.908   18.109   44.029   28.967   58.002  138.209   43.387   29.625   80.119   35.346   56.648   18.344 23.47031 39.82240 
1 1 1  -21  -24    7 o  164.942   13.575  359.656   55.420  400.110  158.348  354.009   59.161  142.118   41.819  162.863   14.705 -20.74423 44.32893 
1 1 1  -21  -24    8 o   97.420   15.949  130.264   37.457  300.792  155.767  119.798   38.590  118.585   42.019   92.619   17.321 25.96632 45.44910 
1 1 1  -21  -24    9 o  145.293   28.063  336.158   98.132   0.0000   0.0000  336.158   98.132  ?   ?   145.293   28.063 0.000000 28.06269 
1 1 1  -21  -24   10 o   55.229   24.540   6.1596   67.789   0.0000   0.0000   6.1596   67.789  ?   ?    55.229   24.540 0.000000 24.53968 
1 1 1  -21  -24   11 o  101.033   30.220  179.584   82.159   0.0000   0.0000  179.584   82.159  ?   ?   101.033   30.220 0.000000 30.21998 
1 1 1  -21  -24   12 o  145.191   29.076  357.106  101.744   0.0000   0.0000  357.106  101.744  ?   ?   145.191   29.076 0.000000 29.07581 
1 1 1  -21  -23    1 o  144.900   28.883  303.188  100.842   0.0000   0.0000  303.188  100.842  ?   ?   144.900   28.883 0.000000 28.88264 
1 1 1  -21  -23    2 f   95.161   16.712  121.291   38.265  179.882  141.552  116.672   39.745  107.916   39.808   92.906   17.779 15.00967 43.59764 
1 1 1  -21  -23    3 o   61.662   18.692   51.163   31.277  107.906  140.837   48.219   32.079   93.324   38.131   60.252   19.045 33.07152 42.62288 
1 1 1  -21  -23    4 o  155.094   14.210  314.314   54.425  222.575  139.338  330.829   59.121  114.910   39.812  158.700   15.100 -43.78932 42.57976 
1 1 1  -21  -23    5 o   83.932   17.398   96.452   35.267  256.204  129.085   83.566   36.661  122.669   38.118   77.473   19.077 45.19511 42.62545 
1 1 1  -21  -23    6 o  117.933   18.732  190.909   53.321 -39.6131  136.956  232.093   57.888   69.989   32.522  130.514   18.262 -60.52463 37.29854 
1 1 1  -21  -23    7 o  183.130   13.189  438.643   59.910  415.250  159.882  442.464   64.618  149.885   41.364  183.253   14.232 -33.36836 43.74400 
1 1 1  -21  -23    8 o   82.915   17.703   95.900   35.540 -24.3647  142.273  103.904   36.704   71.049   33.059   86.433   17.603 -15.38431 37.45322 
1 1 1  -21  -23    9 f  211.697   13.110  589.197   68.963  668.867  180.801  575.633   74.603  192.598   38.931  208.130   14.443 -15.53120 41.52391 
1 1 1  -21  -23   10 o   74.566   28.488   80.732   73.895   0.0000   0.0000   80.732   73.895  ?   ?    74.566   28.488 0.000000 28.48841 
1 1 1  -21  -23   11 f  161.014   27.709  409.580  107.395   0.0000   0.0000  409.580  107.395  ?   ?   161.014   27.709 0.000000 27.70903 
1 1 1  -21  -23   12 o   67.754   27.693   58.629   74.314   0.0000   0.0000   58.629   74.314  ?   ?    67.754   27.693 0.000000 27.69307 
1 1 1  -21  -23   13 o  102.849   30.797  189.121   85.291   0.0000   0.0000  189.121   85.291  ?   ?   102.849   30.797 0.000000 30.79683 
1 1 1  -21  -22    1 o  286.892   14.622  1059.31  104.409  862.111  211.532  1122.83  120.051  241.307   36.222  294.264   16.402 -52.95804 39.76316 
1 1 1  -21  -22    2 o  199.440   26.131  550.847  127.012   0.0000   0.0000  550.847  127.012  ?   ?   199.440   26.131 0.000000 26.13118 
1 1 1  -21  -22    3 o  244.310   13.939  769.458   84.690  607.704  185.963  811.785   95.128  197.190   39.146  250.162   15.301 -52.97148 42.03025 
1 1 1  -21  -22    4 o  130.618   14.113  222.230   45.302  184.630  128.933  227.525   48.387  109.082   38.268  131.852   14.961 -22.76937 41.08887 
1 1 1  -21  -22    5 o   87.926   16.430  103.951   34.747  116.488  125.938  102.918   36.151   93.414   36.772   87.203   17.212 6.210930 40.60096 
1 1 1  -21  -22    6 o   73.226   17.495   73.487   31.553  208.129  127.917   64.764   32.559  112.395   38.172   68.592   18.558 43.80331 42.44403 
1 1 1  -21  -22    7 o   97.763   18.490  131.242   43.487  141.738  135.231  130.031   45.927   96.825   38.108   96.759   19.677 0.6595612E-01 42.88831 
1 1 1  -21  -22    8 o   45.530   16.961   22.512   25.822  -8.9521  129.818   23.808   26.348   71.819   32.741   46.356   17.160 25.46292 36.96531 
1 1 1  -21  -22    9 o   94.862   16.857  123.135   38.470  126.334  139.860  122.873   40.013   91.629   37.783   94.393   17.623 -2.764153 41.69090 
1 1 1  -21  -22   10 o  123.697   14.239  203.693   43.182  238.782  146.708  200.365   45.184  110.858   40.582  122.195   15.131 -11.33655 43.31117 
1 1 1  -21  -22   11 o   54.028   24.266  -6.5530   68.196   0.0000   0.0000  -6.5530   68.196  ?   ?    54.028   24.266 0.000000 24.26601 
1 1 1  -21  -22   12 o   90.315   30.313  136.035   80.657   0.0000   0.0000  136.035   80.657  ?   ?    90.315   30.313 0.000000 30.31271 
1 1 1  -21  -22   13 o   85.965   30.279  124.319   80.768   0.0000   0.0000  124.319   80.768  ?   ?    85.965   30.279 0.000000 30.27891 
1 1 1  -21  -21    1 o   64.235   19.075   54.589   32.822  -2.4362  126.436   58.709   33.987   76.818   33.852   66.412   19.326 10.40630 38.98065 
1 1 1  -21  -21    2 o  235.371   14.267  711.156   83.462  566.668  179.123  751.224   94.327  194.490   38.244  241.224   15.745 -46.73381 41.35854 
1 1 1  -21  -21    3 o  165.315   28.001  382.934  111.466   0.0000   0.0000  382.934  111.466  ?   ?   165.315   28.001 0.000000 28.00064 
1 1 1  -21  -21    4 o  204.264   13.322  535.901   67.582  579.698  155.706  525.734   75.017  199.999   32.275  201.557   15.012 -1.558792 35.59566 
1 1 1  -21  -21    5 o  190.253   13.276  465.967   62.679  566.546  151.875  445.320   68.812  197.021   31.964  185.201   15.008 11.82040 35.31241 
1 1 1  -21  -21    6 o  120.193   14.400  188.824   42.360  175.321  129.430  190.444   44.829  106.997   38.261  120.395   15.253 -13.39804 41.18879 
1 1 1  -21  -21    7 o   46.741   17.246   23.715   26.569   10.913  124.266   24.328   27.198   75.338   33.362   47.287   17.448 28.05077 37.64886 
1 1 1  -21  -21    8 o   49.173   17.911   27.519   28.527   79.976  122.958   24.535   29.327   85.198   35.304   48.115   18.046 37.08363 39.64878 
1 1 1  -21  -21    9 o  150.694   13.651  296.906   50.814  424.246  145.784  279.296   54.214  160.206   37.160  145.371   15.157 14.83508 40.13276 
1 1 1  -21  -21   10 o  127.899   13.894  215.585   43.662  295.430  147.934  207.967   45.697  126.527   40.995  125.101   14.922 1.425949 43.62632 
1 1 1  -21  -21   11 o  118.392   14.373  186.441   41.621  365.200  155.430  172.633   43.198  138.609   41.590  113.212   15.703 25.39730 44.45535 
1 1 1  -21  -21   12 o   70.225   28.087   59.985   74.582   0.0000   0.0000   59.985   74.582  ?   ?    70.225   28.087 0.000000 28.08681 
1 1 1  -21  -21   13 o   47.003   22.218 -52.8792   68.727   0.0000   0.0000 -52.8792   68.727  ?   ?    47.003   22.218 0.000000 22.21758 
1 1 1  -21  -21   14 o  111.435   31.213  211.651   90.321   0.0000   0.0000  211.651   90.321  ?   ?   111.435   31.213 0.000000 31.21332 
1 1 1  -21  -21   15 o   80.155   30.208  104.623   82.373   0.0000   0.0000  104.623   82.373  ?   ?    80.155   30.208 0.000000 30.20785 
1 1 1  -21  -20    1 o  124.938   15.281  202.122   46.683  126.113  130.574  213.261   49.987  101.124   38.048  128.179   15.963 -27.05451 41.26059 
1 1 1  -21  -20    2 o  315.036   14.264  1265.55  112.218  1460.86  223.850  1199.99  129.692  328.392   27.552  304.952   17.100 23.44000 32.42661 
1 1 1  -21  -20    3 o   66.727   19.460   59.218   34.425  -9.9660  113.292   66.256   36.134   72.162   31.910   70.295   19.761 1.867180 37.53315 
1 1 1  -21  -20    4 o  282.352   27.100  1089.73  188.733   0.0000   0.0000  1089.73  188.733  ?   ?   282.352   27.100 0.000000 27.10029 
1 1 1  -21  -20    5 o  149.073   13.017  285.515   47.970  474.762  138.809  259.848   51.120  181.890   31.713  141.622   14.667 40.26804 34.94103 
1 1 1  -21  -20    6 o  216.172   13.668  600.815   73.402  566.750  161.739  609.651   82.374  196.025   34.290  216.976   15.301 -20.95114 37.54874 
1 1 1  -21  -20    7 o   89.998   16.899  108.514   36.585   60.166  125.869  112.976   38.235   84.567   35.435   91.730   17.327 -7.162926 39.44479 
1 1 1  -21  -20    8 o  101.003   16.485  136.034   40.144  -8.0605  123.809  152.962   42.436   73.141   32.784  107.277   16.359 -34.13576 36.63866 
1 1 1  -21  -20    9 o  158.459   13.826  326.566   54.160  234.162  142.736  342.108   58.538  118.303   40.322  161.824   14.645 -43.52055 42.89860 
1 1 1  -21  -20   10 o   86.907   16.808  102.482   35.157   62.986  133.353  105.433   36.447   83.701   35.826   88.028   17.197 -4.327316 39.73960 
1 1 1  -21  -20   11 o  171.784   13.180  384.501   56.109  676.553  164.086  345.831   59.708  208.907   32.511  161.913   14.936 46.99329 35.77726 
1 1 1  -21  -20   12 o   78.076   17.764   84.708   33.855   42.851  146.628   87.065   34.795   80.673   35.953   79.077   18.022 1.595612 40.21669 
1 1 1  -21  -20   13 f  110.528   31.752  200.712   92.273   0.0000   0.0000  200.712   92.273  ?   ?   110.528   31.752 0.000000 31.75221 
1 1 1  -21  -20   14 o   71.676   28.591   65.191   77.077   0.0000   0.0000   65.191   77.077  ?   ?    71.676   28.591 0.000000 28.59139 
1 1 1  -21  -20   15 o   96.096   31.120  155.965   85.257   0.0000   0.0000  155.965   85.257  ?   ?    96.096   31.120 0.000000 31.12004 
1 1 1  -21  -20   16 o   98.431   31.645  168.974   88.280   0.0000   0.0000  168.974   88.280  ?   ?    98.431   31.645 0.000000 31.64522 
1 1 1  -21  -19    1 o  113.093   15.838  166.122   43.501  213.489  128.187  159.958   46.246  122.164   37.990  110.527   17.325 11.63702 41.75343 
1 1 1  -21  -19    2 o  164.138   13.828  344.561   56.150  542.301  144.308  309.282   60.954  198.709   30.018  154.818   15.997 43.89087 34.01413 
1 1 1  -21  -19    3 o  176.125   13.112  395.809   57.254  470.274  134.717  379.395   63.250  184.256   30.334  171.881   14.883 12.37450 33.78873 
1 1 1  -21  -19    4 o  282.385   19.491  1038.96  136.600  943.870  202.981  1117.68  184.677  260.300   31.894  288.437   25.916 -28.13718 41.09613 
1 1 1  -21  -19    5 o   66.993   27.334   31.154   72.242   0.0000   0.0000   31.154   72.242  ?   ?    66.993   27.334 0.000000 27.33417 
1 1 1  -21  -19    6 o  231.999   13.867  689.766   79.968  737.231  171.892  676.656   90.339  228.962   30.849  228.853   15.907 0.1090088 34.70834 
1 1 1  -21  -19    7 o  120.651   14.925  189.570   44.008  215.380  124.731  185.900   47.032  119.254   37.538  119.015   16.250 0.2396622 40.90394 
1 1 1  -21  -19    8 o  148.228   13.958  284.160   51.059  329.767  134.791  276.520   55.170  146.450   36.879  145.663   15.401 0.7864380 39.96554 
1 1 1  -21  -19    9 o  137.337   16.929  249.108   56.829  223.177  134.833  254.709   62.667  118.610   39.175  138.115   18.646 -19.50433 43.38612 
1 1 1  -21  -19   10 o   82.098   17.583   91.575   34.962   66.207  127.384   93.642   36.358   84.827   35.601   82.879   18.076 1.947182 39.92770 
1 1 1  -21  -19   11 o  199.643   14.674  520.257   72.642   0.0000   0.0000  520.257   72.642  ?   ?   199.643   14.674 0.000000 14.67370 
1 1 1  -21  -19   12 o   50.626   18.403   29.732   30.092   16.708  132.510   30.440   30.899   76.508   34.131   51.214   18.643 25.29427 38.89112 
1 1 1  -21  -19   13 o  192.515   13.024  482.668   62.244  663.935  168.227  453.917   66.999  204.030   34.230  185.717   14.563 18.31235 37.19958 
1 1 1  -21  -19   14 o  146.015   29.238  328.964  102.891   0.0000   0.0000  328.964  102.891  ?   ?   146.015   29.238 0.000000 29.23777 
1 1 1  -21  -19   15 f   76.781   29.590   82.478   80.175   0.0000   0.0000   82.478   80.175  ?   ?    76.781   29.590 0.000000 29.59029 
1 1 1  -21  -19   16 o   85.202   30.565  116.194   82.662   0.0000   0.0000  116.194   82.662  ?   ?    85.202   30.565 0.000000 30.56483 
1 1 1  -21  -19   17 o   76.292   29.778   85.668   81.997   0.0000   0.0000   85.668   81.997  ?   ?    76.292   29.778 0.000000 29.77767 
1 1 1  -21  -18    1 o  231.106   14.211  679.868   81.616  513.223  165.868  733.104   93.750  190.862   36.124  239.497   15.764 -48.63428 39.41354 
1 1 1  -21  -18    2 o  112.679   16.278  165.062   44.474   19.806  115.307  190.448   48.204   78.681   33.486  121.166   16.349 -42.48425 37.26397 
1 1 1  -21  -18    3 o  233.688   13.671  695.028   79.433  622.352  160.323  718.673   91.446  212.959   31.062  236.996   15.538 -24.03729 34.73095 
1 1 1  -21  -18    4 o  297.239   14.048  1122.87  104.274  1223.29  202.165  1086.47  121.714  302.161   27.080  290.826   16.831 11.33456 31.88447 
1 1 1  -21  -18    5 o  115.334   30.638  187.487   89.737   0.0000   0.0000  187.487   89.737  ?   ?   115.334   30.638 0.000000 30.63832 
1 1 1  -21  -18    6 o  115.629   15.985  174.309   44.923   0.0000   0.0000  174.309   44.923  ?   ?   115.629   15.985 0.000000 15.98540 
1 1 1  -21  -18    7 o  206.362   13.494  544.742   69.155  572.622  154.214  537.724   77.370  201.474   31.699  204.341   15.273 -2.867615 35.18625 
1 1 1  -21  -18    8 o   83.221   17.441   92.750   35.086 -19.0412  120.750  103.058   36.668   72.604   32.472   87.860   17.328 -15.25562 36.80587 
1 1 1  -21  -18    9 o  193.740   13.440  482.062   64.620  464.874  154.543  485.704   71.137  175.994   36.367  193.904   14.803 -17.90952 39.26429 
1 1 1  -21  -18   10 o  116.842   19.196  183.524   54.063   0.0000   0.0000  183.524   54.063  ?   ?   116.842   19.196 0.000000 19.19590 
1 1 1  -21  -18   11 o  189.473   36.089  550.773  164.518  550.773  164.518   0.0000   0.0000  189.473   36.089  ?   ?  0.000000 36.08880 
1 1 1  -21  -18   12 o   54.020   18.202   36.882   29.084   95.073  128.661   33.749   29.856   89.580   36.506   52.683   18.419 36.89688 40.88943 
1 1 1  -21  -18   13 o   65.033   18.678   58.009   31.933   4.8241  130.585   61.392   32.932   75.005   33.641   66.778   18.898 8.227264 38.58554 
1 1 1  -21  -18   14 o   55.424   17.951   40.574   28.366 -45.4955  132.484   44.709   29.039   68.670   31.935   57.692   18.105 10.97810 36.70984 
1 1 1  -21  -18   15 o  105.057   31.751  177.851   90.347   0.0000   0.0000  177.851   90.347  ?   ?   105.057   31.751 0.000000 31.75058 
1 1 1  -21  -18   16 o  123.401   31.416  246.941   97.062   0.0000   0.0000  246.941   97.062  ?   ?   123.401   31.416 0.000000 31.41571 
1 1 1  -21  -18   17 o  113.180   32.067  214.888   94.765   0.0000   0.0000  214.888   94.765  ?   ?   113.180   32.067 0.000000 32.06713 
1 1 1  -21  -18   18 o  109.687   31.702  204.708   91.733   0.0000   0.0000  204.708   91.733  ?   ?   109.687   31.702 0.000000 31.70242 
1 1 1  -21  -17    1 o  369.402   15.132  1731.85  139.587  1941.04  260.176  1647.30  165.409  383.282   27.363  358.376   18.546 24.90585 33.05590 
1 1 1  -21  -17    2 o  368.017   16.685  1726.08  153.337  1360.99  277.368  1886.77  184.013  313.884   36.040  383.013   19.301 -69.12833 40.88286 
1 1 1  -21  -17    3 o  118.086   14.943  179.770   43.079  164.899  114.320  182.231   46.507  110.062   36.059  118.603   16.120 -8.541542 39.49788 
1 1 1  -21  -17    4 f  309.711   13.875  1216.36  107.311  1324.27  208.148  1177.30  125.238  315.775   26.645  303.272   16.600 12.50241 31.39302 
1 1 1  -21  -17    5 o  260.002   13.476  859.357   87.197  1011.77  178.426  811.535   99.944  275.634   26.239  251.733   15.982 23.90167 30.72303 
1 1 1  -21  -17    6 o   81.665   29.944   77.564   79.922   0.0000   0.0000   77.564   79.922  ?   ?    81.665   29.944 0.000000 29.94439 
1 1 1  -21  -17    7 o  175.167   12.918  391.364   56.109  604.779  144.567  353.514   60.882  210.637   28.191  165.864   14.856 44.77223 31.86639 
1 1 1  -21  -17    8 o  195.755   13.387  489.684   65.049  531.882  149.096  479.763   72.293  194.498   31.796  193.150   15.109 1.347473 35.20328 
1 1 1  -21  -17    9 o   86.495   17.532   99.909   36.571 -89.9584  123.184  118.261   38.298   65.010   30.418   94.496   16.847 -29.48690 34.77174 
1 1 1  -21  -17   10 o  307.854   14.410  1214.45  110.777  1331.35  222.497  1175.91  127.734  309.400   29.141  300.957   17.066 8.442871 33.77040 
1 1 1  -21  -17   11 o   48.262   17.966   24.256   28.961  106.987  120.870   19.217   29.830   93.213   36.217   46.467   18.009 46.74631 40.44760 
1 1 1  -21  -17   12 o  178.189   13.345  409.384   58.951  521.880  151.658  389.361   63.983  187.195   33.682  173.059   14.952 14.13528 36.85131 
1 1 1  -21  -17   13 o  169.042   13.619  370.215   57.003  536.427  151.574  342.836   61.519  188.693   33.389  161.812   15.411 26.88029 36.77422 
1 1 1  -21  -17   14 o   80.049   17.496   87.545   33.997  223.674  137.176   78.636   35.092  115.562   39.528   75.475   18.712 40.08759 43.73293 
1 1 1  -21  -17   15 o   65.801   18.347   59.716   31.280   48.086  133.695   60.390   32.173   80.948   35.262   66.136   18.666 14.81275 39.89798 
1 1 1  -21  -17   16 o   60.631   26.636   6.3311   77.723   0.0000   0.0000   6.3311   77.723  ?   ?    60.631   26.636 0.000000 26.63552 
1 1 1  -21  -17   17 o   84.016   30.855  106.020   84.903   0.0000   0.0000  106.020   84.903  ?   ?    84.016   30.855 0.000000 30.85476 
1 1 1  -21  -17   18 o  251.453   28.767  972.445  177.385   0.0000   0.0000  972.445  177.385  ?   ?   251.453   28.767 0.000000 28.76711 
1 1 1  -21  -17   19 o   78.706   30.551   91.251   85.947   0.0000   0.0000   91.251   85.947  ?   ?    78.706   30.551 0.000000 30.55128 
1 1 1  -21  -16    1 o  255.222   15.855  829.974  100.551  1098.79  171.671  689.591  124.058  290.300   23.893  230.445   21.818 59.85530 32.35578 
1 1 1  -21  -16    2 o  118.176   15.477  180.098   44.577  266.203  114.157  164.607   48.421  138.252   33.433  112.300   17.865 25.95225 37.90633 
1 1 1  -21  -16    3 o  368.789   15.807  1728.29  145.569  1750.59  266.703  1718.83  173.729  362.238   29.746  365.866   19.081 -3.628540 35.34041 
1 1 1  -21  -16    4 o  165.235   13.618  347.804   55.690  327.862  130.810  352.219   61.547  152.622   35.060  165.936   15.016 -13.31381 38.13989 
1 1 1  -21  -16    5 o  189.772   13.748  458.500   64.708  256.842  139.158  514.131   73.091  133.710   39.163  200.746   14.682 -67.03558 41.82437 
1 1 1  -21  -16    6 o  123.241   14.304  195.244   43.203  300.043  121.687  180.128   46.214  145.728   34.052  117.847   16.127 27.88062 37.67769 
1 1 1  -21  -16    7 o  129.416   29.919  233.128   94.756   0.0000   0.0000  233.128   94.756  ?   ?   129.416   29.919 0.000000 29.91856 
1 1 1  -21  -16    8 o   73.882   18.475   72.993   33.997 -71.3006  117.678   86.133   35.511   66.072   30.507   80.325   18.133 -14.25271 35.48909 
1 1 1  -21  -16    9 o  249.689   13.520  794.964   83.984  848.232  180.930  780.334   94.817  248.498   29.748  246.581   15.477 1.917175 33.53325 
1 1 1  -21  -16   10 o  274.827   13.977  965.681   95.607  986.719  192.102  958.755  110.228  267.672   29.214  272.716   16.260 -5.043488 33.43383 
1 1 1  -21  -16   11 o  157.798   13.668  320.130   53.328  315.493  140.417  320.912   57.647  143.943   38.367  157.597   14.822 -13.65416 41.13068 
1 1 1  -21  -16   12 o  103.241   17.336  141.695   43.109  309.866  129.516  120.742   45.716  142.950   36.234   94.247   20.041 48.70290 41.40708 
1 1 1  -21  -16   13 o   89.746   17.454  108.250   37.707  175.212  127.496  101.831   39.473  108.078   38.045   86.566   18.799 21.51168 42.43613 
1 1 1  -21  -16   14 o  125.469   14.540  205.786   44.713  137.632  136.902  213.925   47.307   99.379   38.563  127.727   15.126 -28.34832 41.42352 
1 1 1  -21  -16   15 o   54.257   18.158   37.500   28.941   47.285  129.214   36.983   29.695   81.446   35.072   54.178   18.392 27.26852 39.60152 
1 1 1  -21  -16   16 o  115.953   14.879  177.866   42.090  116.279  144.426  183.583   44.000   93.392   38.439  117.625   15.345 -24.23265 41.38860 
1 1 1  -21  -16   17 f  100.836   31.641  160.686   88.701   0.0000   0.0000  160.686   88.701  ?   ?   100.836   31.641 0.000000 31.64140 
1 1 1  -21  -16   18 o  205.722   27.933  634.302  139.786   0.0000   0.0000  634.302  139.786  ?   ?   205.722   27.933 0.000000 27.93260 
1 1 1  -21  -16   19 o  122.261   32.123  245.997   99.351   0.0000   0.0000  245.997   99.351  ?   ?   122.261   32.123 0.000000 32.12321 
1 1 1  -21  -16   20 o  129.031   32.613  279.549  105.133   0.0000   0.0000  279.549  105.133  ?   ?   129.031   32.613 0.000000 32.61265 
1 1 1  -21  -15    1 f  464.118   22.617  2776.00  262.130  2867.87  381.873  2694.14  360.468  462.473   33.289  449.032   32.364 13.44089 46.42793 
1 1 1  -21  -15    2 o   86.663   17.920   99.076   37.501   53.358  101.916  106.235   40.330   82.125   32.838   89.665   18.621 -7.539436 37.74974 
1 1 1  -21  -15    3 o  157.654   13.262  316.077   51.726  413.906  121.133  294.260   57.203  175.477   28.631  151.609   15.319 23.86792 32.47179 
1 1 1  -21  -15    4 o  231.458   14.111  680.407   81.171  573.817  160.068  717.306   94.179  205.243   32.298  237.111   15.999 -31.86853 36.04373 
1 1 1  -21  -15    5 o  204.727   14.053  533.034   71.411  438.388  147.017  562.260   81.696  177.680   34.377  209.822   15.706 -32.14253 37.79509 
1 1 1  -21  -15    6 o  122.597   14.790  193.317   44.364  196.849  119.126  192.748   47.803  118.827   36.568  122.095   16.069 -3.268593 39.94294 
1 1 1  -21  -15    7 o  142.721   14.076  260.641   49.513  152.506  124.450  280.977   53.969  107.774   37.609  148.052   14.796 -40.27815 40.41472 
1 1 1  -21  -15    8 o  162.047   27.851  356.827  108.639   0.0000   0.0000  356.827  108.639  ?   ?   162.047   27.851 0.000000 27.85056 
1 1 1  -21  -15    9 o  108.733   37.218  160.886  121.611  160.886  121.611   0.0000   0.0000  108.733   37.218  ?   ?  0.000000 37.21752 
1 1 1  -21  -15   10 o  160.781   13.120  330.206   52.217  388.444  135.893  320.118   56.559  165.017   34.105  157.895   14.507 7.122604 37.06203 
1 1 1  -21  -15   11 o  184.084   13.512  433.460   61.678  478.445  145.414  423.591   68.108  183.562   32.933  181.402   15.175 2.160522 36.26082 
1 1 1  -21  -15   12 o  184.520   12.689  435.012   58.115  716.669  150.097  385.343   63.031  229.065   26.743  172.921   14.737 56.14398 30.53520 
1 1 1  -21  -15   13 o   72.913   19.444   72.040   36.051   23.878  125.503   76.372   37.638   79.787   34.460   74.986   19.805 4.801361 39.74617 
1 1 1  -21  -15   14 o   73.127   18.324   72.588   33.395   2.7915  124.175   78.030   34.672   75.683   33.440   75.783   18.486 -0.1003647 38.20954 
1 1 1  -21  -15   15 o  144.400   13.808  270.452   49.182  464.470  144.068  244.858   52.326  175.595   34.084  136.627   15.617 38.96786 37.49175 
1 1 1  -21  -15   16 f  151.228   14.260  298.190   53.217  347.869  150.791  291.122   56.877  144.193   40.310  148.832   15.532 -4.638763 43.19881 
1 1 1  -21  -15   17 o  257.973   13.712  864.036   88.017  1083.26  200.590  811.763   97.951  270.288   30.237  248.421   15.872 21.86684 34.14967 
1 1 1  -21  -15   18 o   77.213   30.059   75.337   83.388   0.0000   0.0000   75.337   83.388  ?   ?    77.213   30.059 0.000000 30.05914 
1 1 1  -21  -15   19 o  239.247   28.096  854.589  164.664   0.0000   0.0000  854.589  164.664  ?   ?   239.247   28.096 0.000000 28.09627 
1 1 1  -21  -15   20 o  104.580   33.060  182.683   96.660   0.0000   0.0000  182.683   96.660  ?   ?   104.580   33.060 0.000000 33.05965 
1 1 1  -21  -15   21 o   73.082   30.008   63.493   87.757   0.0000   0.0000   63.493   87.757  ?   ?    73.082   30.008 0.000000 30.00781 
1 1 1  -21  -14    1 o  353.053   18.909  1593.80  166.102  1646.09  248.231  1551.40  223.517  353.732   28.340  344.644   26.166 9.087952 38.57217 
1 1 1  -21  -14    2 o  200.897   15.220  513.826   75.790  653.516  134.530  448.877   91.733  223.545   24.501  186.352   20.027 37.19234 31.64417 
1 1 1  -21  -14    3 o   74.449   18.273   73.393   33.719  174.188  102.092   61.052   35.723  113.013   33.661   68.342   19.793 44.67049 39.04851 
1 1 1  -21  -14    4 o  367.838   15.767  1716.26  144.826  1686.91  265.243  1728.72  172.869  356.347   30.088  367.466   18.903 -11.11899 35.53344 
1 1 1  -21  -14    5 o  202.170   12.842  517.891   64.497  686.949  139.887  472.250   72.684  228.751   24.890  192.435   15.250 36.31627 29.19078 
1 1 1  -21  -14    6 o   97.434   16.515  123.895   38.748  179.630  112.125  116.337   41.291  114.457   35.519   93.944   18.259 20.51216 39.93760 
1 1 1  -21  -14    7 o  212.815   13.888  575.622   73.402  584.874  158.630  573.102   82.799  207.277   31.650  211.812   15.767 -4.534973 35.36001 
1 1 1  -21  -14    8 o  265.863   19.814  913.190  130.605  634.748  193.508  1146.16  177.001  211.993   37.947  295.675   24.184 -83.68143 44.99804 
1 1 1  -21  -14    9 o  112.522   32.100  176.161   94.622   0.0000   0.0000  176.161   94.622  ?   ?   112.522   32.100 0.000000 32.09973 
1 1 1  -21  -14   10 f  118.722   15.482  182.433   44.807   28.976  121.136  206.757   48.228   81.611   34.509  126.472   15.601 -44.86111 37.87145 
1 1 1  -21  -14   11 o  146.094   14.045  273.753   50.609  274.422  129.672  273.633   54.968  137.213   36.999  145.693   15.339 -8.480728 40.05259 
1 1 1  -21  -14   12 o  103.716   15.911  140.707   39.893  184.154  124.628  135.747   42.108  113.575   37.670  101.451   17.238 12.12332 41.42708 
1 1 1  -21  -14   13 o  209.959   13.318  563.560   69.465  571.240  158.916  561.747   77.235  200.280   32.919  209.014   14.895 -8.734222 36.13162 
1 1 1  -21  -14   14 o  151.164   16.918  298.762   62.768  267.390  141.574  306.437   70.027  131.532   39.744  152.331   18.808 -20.79926 43.96947 
1 1 1  -21  -14   15 o  180.443   13.421  418.847   60.043  559.389  155.433  394.197   65.096  195.828   32.955  174.344   15.101 21.48340 36.25024 
1 1 1  -21  -14   16 o  291.154   14.207  1091.68  103.292  1138.19  214.005  1077.55  117.940  280.652   31.056  287.328   16.507 -6.676392 35.17030 
1 1 1  -21  -14   17 f  245.519   13.130  777.229   80.211  1011.23  187.712  724.959   88.718  265.176   28.811  235.870   15.142 29.30629 32.54746 
1 1 1  -21  -14   18 o  159.527   29.455  377.550  113.018   0.0000   0.0000  377.550  113.018  ?   ?   159.527   29.455 0.000000 29.45529 
1 1 1  -21  -14   19 o  265.163   28.203  1033.03  183.880   0.0000   0.0000  1033.03  183.880  ?   ?   265.163   28.203 0.000000 28.20262 
1 1 1  -21  -14   20 f  169.260   29.883  437.944  121.690   0.0000   0.0000  437.944  121.690  ?   ?   169.260   29.883 0.000000 29.88321 
1 1 1  -21  -14   21 o  104.670   33.252  182.466   97.695   0.0000   0.0000  182.466   97.695  ?   ?   104.670   33.252 0.000000 33.25187 
1 1 1  -21  -14   22 o  161.726   31.208  418.862  121.472   0.0000   0.0000  418.862  121.472  ?   ?   161.726   31.208 0.000000 31.20828 
1 1 1  -21  -13    1 o  134.637   14.356  231.495   47.523  206.889  107.189  237.514   53.018  122.733   33.868  136.058   15.905 -13.32537 37.41635 
1 1 1  -21  -13    2 o  402.918   19.519  2071.89  196.394  2346.34  291.685  1844.29  265.627  423.341   27.745  374.581   28.614 48.75989 39.85627 
1 1 1  -21  -13    3 o  372.380   14.656  1753.42  136.287  2114.74  250.153  1600.91  162.525  403.483   24.950  354.070   18.445 49.41330 31.02775 
1 1 1  -21  -13    4 o  275.513   13.926  961.258   95.501  1082.79  183.881  916.370  111.755  287.691   25.872  268.137   16.775 19.55380 30.83419 
1 1 1  -21  -13    5 o  170.239   13.668  368.326   57.617  215.250  127.332  407.736   64.609  124.684   37.696  178.960   14.584 -54.27613 40.41862 
1 1 1  -21  -13    6 o  144.606   14.265  266.953   50.842  231.457  120.329  274.668   56.096  128.800   36.010  146.395   15.584 -17.59561 39.23709 
1 1 1  -21  -13    7 o  296.836   13.456  1113.40   99.745  1334.79  196.560  1036.61  115.757  319.636   24.820  285.180   16.322 34.45605 29.70635 
1 1 1  -21  -13    8 o  282.042   14.202  1009.57   99.702  1188.13  195.347  946.674  115.940  300.357   26.310  272.080   17.152 28.27628 31.40701 
1 1 1  -21  -13    9 o   79.926   30.619   63.746   85.508   0.0000   0.0000   63.746   85.508  ?   ?    79.926   30.619 0.000000 30.61938 
1 1 1  -21  -13   10 o  145.247   14.393  270.138   51.518  236.140  133.353  276.103   55.854  128.632   38.506  146.571   15.495 -17.93967 41.50715 
1 1 1  -21  -13   11 o   85.954   17.833   97.990   37.022  202.360  120.797   87.170   38.894  119.573   36.828   80.721   19.511 38.85216 41.67710 
1 1 1  -21  -13   12 o  159.797   14.226  327.113   56.176  271.289  134.645  338.878   61.812  136.256   38.090  162.309   15.436 -26.05350 41.09946 
1 1 1  -21  -13   13 o  356.955   15.364  1628.50  136.949  1563.57  257.895  1654.01  161.619  337.029   30.990  357.697   18.153 -20.66766 35.91513 
1 1 1  -21  -13   14 o  214.377   13.817  588.193   73.576  640.748  162.281  574.595   82.548  213.713   31.339  211.097   15.773 2.615540 35.08464 
1 1 1  -21  -13   15 o  201.707   16.353  527.726   81.659  673.744  163.676  479.336   94.223  218.499   30.856  190.362   20.126 28.13786 36.83970 
1 1 1  -21  -13   16 o  227.857   13.931  667.726   78.888  817.883  178.321  631.187   87.965  240.012   30.436  220.443   16.091 19.56816 34.42769 
1 1 1  -21  -13   17 o  127.535   14.327  211.810   44.840  393.501  140.216  191.113   47.325  160.214   35.932  120.402   16.147 39.81193 39.39371 
1 1 1  -21  -13   18 o  179.622   13.384  417.284   59.605  545.215  160.226  396.737   64.214  188.250   35.383  174.408   14.886 13.84204 38.38665 
1 1 1  -21  -13   19 o  127.796   32.675  253.677  104.682   0.0000   0.0000  253.677  104.682  ?   ?   127.796   32.675 0.000000 32.67518 
1 1 1  -21  -13   20 o  121.421   32.661  233.586  101.191   0.0000   0.0000  233.586  101.191  ?   ?   121.421   32.661 0.000000 32.66065 
1 1 1  -21  -13   21 o  196.528   28.899  580.077  137.592   0.0000   0.0000  580.077  137.592  ?   ?   196.528   28.899 0.000000 28.89912 
1 1 1  -21  -13   22 o  294.330   30.373  1335.00  220.034   0.0000   0.0000  1335.00  220.034  ?   ?   294.330   30.373 0.000000 30.37337 
1 1 1  -21  -12    1 o  208.283   12.915  548.654   66.841  661.232  134.703  511.880   76.988  225.319   24.326  200.585   15.490 24.73366 28.83930 
1 1 1  -21  -12    2 o  206.740   15.669  543.926   80.291  576.527  135.629  526.337   99.622  209.349   26.540  202.156   19.996 7.193451 33.22965 
1 1 1  -21  -12    3 o  178.395   15.364  405.527   67.775  471.865  122.109  375.992   81.478  189.024   26.605  170.675   19.465 18.34882 32.96572 
1 1 1  -21  -12    4 o  166.303   13.455  351.141   55.399  254.136  119.926  377.456   62.462  135.411   35.156  172.201   14.665 -36.78929 38.09200 
1 1 1  -21  -12    5 o  214.399   13.299  582.095   70.853  623.304  143.242  568.747   81.524  217.366   26.969  211.373   15.554 5.992966 31.13256 
1 1 1  -21  -12    6 o  249.022   15.137  787.793   93.682   0.0000   0.0000  787.793   93.682  ?   ?   249.022   15.137 0.000000 15.13674 
1 1 1  -21  -12    7 o  234.282   28.712  729.476  164.461  729.476  164.461   0.0000   0.0000  234.282   28.712  ?   ?  0.000000 28.71166 
1 1 1  -21  -12    8 o  186.430   13.184  440.965   60.982  685.089  137.966  381.689   67.984  228.663   24.546  172.727   15.941 55.93591 29.26806 
1 1 1  -21  -12    9 o  124.813   14.980  200.155   45.758  238.110  119.070  193.578   49.564  130.344   35.583  122.309   16.661 8.035156 39.29099 
1 1 1  -21  -12   10 o  163.018   28.405  359.261  111.431   0.0000   0.0000  359.261  111.431  ?   ?   163.018   28.405 0.000000 28.40527 
1 1 1  -21  -12   11 o  168.337   13.949  361.397   58.107  389.712  140.173  355.521   63.852  166.642   34.807  166.538   15.533 0.1046295 38.11562 
1 1 1  -21  -12   12 o  274.555   14.010  958.675   95.733  960.712  192.233  958.004  110.397  266.891   29.327  273.611   16.230 -6.719696 33.51817 
1 1 1  -21  -12   13 o  213.905   14.016  583.662   74.453  604.171  160.979  578.081   83.974  208.982   31.854  212.211   15.963 -3.228958 35.63016 
1 1 1  -21  -12   14 o  379.645   16.116  1845.59  152.788  1969.89  287.099  1796.48  180.466  379.247   30.575  371.970   19.496 7.277161 36.26186 
1 1 1  -21  -12   15 o  227.791   16.640  670.615   94.002  781.652  172.069  623.380  112.229  237.808   29.617  217.458   20.925 20.34949 36.26348 
1 1 1  -21  -12   16 o  306.882   13.829  1203.12  105.980  1519.09  217.391  1104.61  121.382  334.360   26.247  292.109   16.710 42.25055 31.11463 
1 1 1  -21  -12   17 o  237.784   13.844  726.510   81.851  903.531  183.032  682.260   91.512  253.434   29.471  229.276   16.085 24.15839 33.57507 
1 1 1  -21  -12   18 o  110.831   16.064  162.229   43.165   24.384  137.662  177.259   45.457   81.443   35.621  115.908   16.143 -34.46561 39.10838 
1 1 1  -21  -12   19 o  114.944   15.440  174.290   43.197  296.457  143.467  162.110   45.299  133.940   39.905  110.173   17.013 23.76620 43.38008 
1 1 1  -21  -12   20 o  236.108   27.978  805.051  161.753   0.0000   0.0000  805.051  161.753  ?   ?   236.108   27.978 0.000000 27.97830 
1 1 1  -21  -12   21 o  135.013   32.934  287.397  110.048   0.0000   0.0000  287.397  110.048  ?   ?   135.013   32.934 0.000000 32.93397 
1 1 1  -21  -12   22 o  228.286   28.787  778.524  160.459   0.0000   0.0000  778.524  160.459  ?   ?   228.286   28.787 0.000000 28.78714 
1 1 1  -21  -12   23 o   89.928   32.868  126.252   96.177   0.0000   0.0000  126.252   96.177  ?   ?    89.928   32.868 0.000000 32.86765 
1 1 1  -21  -11    1 o  291.651   10.663  1068.45   77.656  1032.22  109.628  1104.95  110.018  285.326   15.444  295.369   14.965 -10.04230 21.50457 
1 1 1  -21  -11    2 o  268.330   11.846  905.775   79.375  1032.96  113.186  782.696  111.344  285.258   15.953  247.567   18.137 37.69092 24.15458 
1 1 1  -21  -11    3 o  243.294   15.580  751.780   94.160  895.210  153.208  664.721  119.363  262.846   23.593  227.018   21.304 35.82782 31.78833 
1 1 1  -21  -11    4 o  449.757   17.636  2569.27  198.073  2914.91  353.503  2411.10  239.138  470.548   30.244  433.038   22.189 37.51025 37.51086 
1 1 1  -21  -11    5 o   71.797   18.617   68.053   33.658  100.563  104.108   64.258   35.568   93.792   34.209   69.975   19.583 23.81665 39.41728 
1 1 1  -21  -11    6 o   63.701   25.839   24.473   64.095  110.578   96.869 -42.5798   85.482   95.044   33.180   59.135   26.807 35.90863 42.65581 
1 1 1  -21  -11    7 o  468.836   17.943  2796.97  210.075  3065.00  375.893  2675.23  253.329  480.655   31.491  456.233   22.236 24.42157 38.55009 
1 1 1  -21  -11    8 o   72.279   18.687   69.098   33.978   89.321  104.372   66.700   35.936   90.904   34.053   71.144   19.601 19.76025 39.29121 
1 1 1  -21  -11    9 o  153.729   14.709  301.740   55.778  148.713  126.910  338.378   62.097  108.227   37.967  162.690   15.471 -54.46291 40.99814 
1 1 1  -21  -11   10 o  170.905   14.222  372.036   60.144  208.733  135.040  412.444   67.174  122.895   39.100  179.786   15.102 -56.89108 41.91498 
1 1 1  -21  -11   11 o  326.713   28.066  1414.83  226.753   0.0000   0.0000  1414.83  226.753  ?   ?   326.713   28.066 0.000000 28.06550 
1 1 1  -21  -11   12 o  262.944   13.476  877.191   88.188  1054.10  181.144  822.237  100.961  282.509   25.967  253.720   16.017 28.78912 30.50986 
1 1 1  -21  -11   13 f  235.054   13.541  702.266   79.144  766.671  169.437  684.292   89.508  238.418   29.060  231.356   15.584 7.061813 32.97478 
1 1 1  -21  -11   14 o  454.053   17.684  2645.24  200.510  2725.29  364.241  2610.43  240.176  445.411   32.982  448.220   21.458 -2.808868 39.34772 
1 1 1  -21  -11   15 o  187.701   14.607  451.569   67.927  290.609  152.692  491.283   75.845  139.157   41.099  195.453   15.671 -56.29623 43.98500 
1 1 1  -21  -11   16 o  420.957   19.983  2308.07  210.059  2839.63  322.451  1916.16  276.868  456.723   28.413  373.200   29.961 83.52261 41.29124 
1 1 1  -21  -11   17 o  190.439   13.776  465.404   65.070  456.673  152.912  467.335   71.905  175.841   36.034  190.255   15.263 -14.41443 39.13367 
1 1 1  -21  -11   18 o  210.514   13.689  569.489   71.573  666.987  166.745  547.469   79.244  215.405   31.969  205.545   15.554 9.860260 35.55195 
1 1 1  -21  -11   19 o  115.158   15.542  174.335   43.554  346.711  144.697  157.161   45.672  147.954   38.716  108.552   17.439 39.40201 42.46188 
1 1 1  -21  -11   20 o  181.264   13.603  425.249   61.125  677.509  166.566  385.991   65.709  213.754   32.204  171.754   15.487 42.00005 35.73462 
1 1 1  -21  -11   21 o  122.275   33.752  235.076  106.438   0.0000   0.0000  235.076  106.438  ?   ?   122.275   33.752 0.000000 33.75182 
1 1 1  -21  -11   22 f  121.629   33.961  237.561  107.100   0.0000   0.0000  237.561  107.100  ?   ?   121.629   33.961 0.000000 33.96101 
1 1 1  -21  -11   23 o  219.963   29.291  726.099  156.894   0.0000   0.0000  726.099  156.894  ?   ?   219.963   29.291 0.000000 29.29125 
1 1 1  -21  -11   24 o  194.398   30.066  580.410  141.245   0.0000   0.0000  580.410  141.245  ?   ?   194.398   30.066 0.000000 30.06607 
1 1 1  -21  -10    1 o  228.925   10.681  658.184   61.062  650.058   85.768  666.536   86.953  226.326   15.265  229.184   15.281 -2.858490 21.59875 
1 1 1  -21  -10    2 o  276.383   11.410  960.226   78.748  981.912  111.614  938.732  111.120  278.103   16.141  271.812   16.448 6.290344 23.04530 
1 1 1  -21  -10    3 o  279.485   16.565  992.709  115.096  1070.51  177.823  936.619  150.991  287.116   25.053  269.393   22.655 17.72318 33.77695 
1 1 1  -21  -10    4 o  380.048   19.713  1845.54  186.446  1892.12  275.250  1806.04  253.447  379.708   29.254  371.987   27.479 7.721313 40.13562 
1 1 1  -21  -10    5 o  209.337   13.607  554.938   70.745  551.540  141.772  556.064   81.635  203.959   28.623  209.056   15.753 -5.096710 32.67203 
1 1 1  -21  -10    6 o  139.832   13.494  248.823   46.534  342.343  111.568  229.128   51.201  159.717   29.043  133.688   15.632 26.02901 32.98254 
1 1 1  -21  -10    7 o  152.694   13.833  296.608   52.175  272.941  116.964  302.488   58.296  140.753   33.720  153.881   15.377 -13.12796 37.06026 
1 1 1  -21  -10    8 o  210.355   13.613  560.717   71.126  631.698  144.245  537.914   81.756  218.905   26.957  205.421   16.066 13.48375 31.38123 
1 1 1  -21  -10    9 f  245.965   13.710  766.217   83.874  598.032  164.759  825.050   97.447  210.331   32.409  254.803   15.387 -44.47188 35.87657 
1 1 1  -21  -10   10 o   92.202   17.647  111.645   39.150   84.590  112.394  115.381   41.766   91.428   35.086   93.576   18.529 -2.147934 39.67801 
1 1 1  -21  -10   11 o  212.111   26.398  594.999  136.799   0.0000   0.0000  594.999  136.799  ?   ?   212.111   26.398 0.000000 26.39773 
1 1 1  -21  -10   12 o  324.007   14.443  1329.71  116.862  1600.09  233.900  1239.77  134.906  348.341   27.102  311.398   17.418 36.94305 32.21710 
1 1 1  -21  -10   13 o  244.399   13.676  758.375   83.134  836.171  176.326  736.138   94.269  249.900   28.781  240.109   15.811 9.790726 32.83792 
1 1 1  -21  -10   14 o  220.923   13.930  621.195   76.458  625.486  164.676  620.016   86.327  213.559   31.853  220.114   15.811 -6.554886 35.56118 
1 1 1  -21  -10   15 o  243.456   14.305  755.811   86.586  728.826  180.125  763.920   98.743  229.691   32.296  244.012   16.299 -14.32042 36.17535 
1 1 1  -21  -10   16 o  336.010   15.117  1441.02  126.846  1522.58  244.176  1410.87  148.448  334.322   29.552  330.506   18.055 3.816040 34.63056 
1 1 1  -21  -10   17 o  117.979   18.428  183.936   52.517   66.173  131.102  206.445   57.317   89.096   36.641  124.936   18.968 -35.84008 41.25946 
1 1 1  -21  -10   18 o  172.344   13.910  381.790   59.355  417.137  148.484  375.068   64.754  167.467   36.534  170.266   15.396 -2.799561 39.64528 
1 1 1  -21  -10   19 o  187.073   14.344  451.496   66.499  411.582  164.067  459.342   72.742  161.585   40.686  188.143   15.624 -26.55777 43.58252 
1 1 1  -21  -10   20 o   72.839   19.655   72.523   36.579 -160.3379  136.417   90.563   37.970   61.413   29.634   81.448   19.014 -20.03586 35.20929 
1 1 1  -21  -10   21 o  111.982   16.078  166.284   43.671  169.803  142.445  165.919   45.881  105.592   39.737  111.479   17.021 -5.887451 43.22923 
1 1 1  -21  -10   22 o  111.741   33.800  196.238  102.353   0.0000   0.0000  196.238  102.353  ?   ?   111.741   33.800 0.000000 33.79959 
1 1 1  -21  -10   23 o   86.348   32.407  105.169   94.615   0.0000   0.0000  105.169   94.615  ?   ?    86.348   32.407 0.000000 32.40737 
1 1 1  -21  -10   24 o  105.809   34.450  183.393  104.406   0.0000   0.0000  183.393  104.406  ?   ?   105.809   34.450 0.000000 34.44967 
1 1 1  -21  -10   25 o  101.619   34.530  171.839  104.676   0.0000   0.0000  171.839  104.676  ?   ?   101.619   34.530 0.000000 34.53032 
1 1 1  -21   -9    1 o  435.260   14.484  2390.35  157.431  2446.37  222.825  2334.51  222.457  438.108   20.367  427.777   20.825 10.33136 29.12883 
1 1 1  -21   -9    2 o  286.118   12.478  1030.20   89.154  1082.45  126.158  978.074  126.007  291.716   17.397  276.964   18.322 14.75220 25.26612 
1 1 1  -21   -9    3 o  299.932   11.589  1130.95   86.802  1143.01  122.731  1118.87  122.783  300.061   16.442  296.809   16.633 3.252502 23.38768 
1 1 1  -21   -9    4 o  247.463   21.331  787.996  130.532   0.0000   0.0000  787.996  130.532  ?   ?   247.463   21.331 0.000000 21.33141 
1 1 1  -21   -9    5 o  180.199   14.620  412.602   65.222  412.602   65.222   0.0000   0.0000  180.199   14.620  ?   ?  0.000000 14.62020 
1 1 1  -21   -9    6 o  123.890   14.207  196.164   43.158  313.434  105.411  172.547   47.305  152.906   28.660  115.513   16.899 37.39233 33.27082 
1 1 1  -21   -9    7 f  138.308   14.362  244.049   48.880  105.005  109.025  279.029   54.684   95.868   35.001  147.846   15.020 -51.97862 38.08753 
1 1 1  -21   -9    8 o  121.644   14.989  189.791   44.568  226.428  108.912  182.422   48.844  128.319   33.594  118.785   16.947 9.533813 37.62679 
1 1 1  -21   -9    9 o  470.135   17.407  2807.84  204.361  3061.32  365.854  2692.87  246.383  481.556   30.582  458.337   21.527 23.21982 37.39869 
1 1 1  -21   -9   10 o  138.598   14.237  245.188   48.575  296.859  118.040  234.655   53.297  146.925   32.981  135.141   16.111 11.78410 36.70571 
1 1 1  -21   -9   11 o  293.083   13.479  1084.55   98.651  1361.86  194.430  988.413  114.481  323.631   24.234  278.549   16.532 45.08127 29.33609 
1 1 1  -21   -9   12 o  324.769   27.942  1392.10  224.403   0.0000   0.0000  1392.10  224.403  ?   ?   324.769   27.942 0.000000 27.94172 
1 1 1  -21   -9   13 o  153.454   14.524  300.820   54.993  191.686  133.819  322.996   60.322  118.537   39.021  158.839   15.401 -40.30264 41.95078 
1 1 1  -21   -9   14 o  125.554   14.528  202.417   44.709  442.388  130.990  170.775   47.565  180.328   30.153  114.534   17.159 65.79379 34.69369 
1 1 1  -21   -9   15 o  285.913   13.837  1036.32   98.793  1204.65  199.062  981.318  113.797  301.123   26.751  276.870   16.534 24.25308 31.44841 
1 1 1  -21   -9   16 o  504.681   18.953  3280.98  238.866  3525.39  431.129  3172.72  286.931  504.845   34.403  492.399   23.335 12.44656 41.57022 
1 1 1  -21   -9   17 o  304.708   13.902  1181.18  105.786  1530.09  213.934  1068.26  121.706  338.704   25.480  288.003   16.998 50.70056 30.62954 
1 1 1  -21   -9   18 o  100.142   19.205  134.115   46.279   38.383  132.765  147.356   49.376   84.779   36.003  104.970   19.556 -20.19099 40.97135 
1 1 1  -21   -9   19 o  353.269   15.360  1602.96  135.502  1819.35  264.600  1526.05  157.758  362.185   29.512  342.083   18.537 20.10172 34.85083 
1 1 1  -21   -9   20 o  282.301   14.326  1025.32  100.662  1122.38  209.798  996.291  114.731  281.664   30.304  276.826   16.675 4.838654 34.58901 
1 1 1  -21   -9   21 o   68.349   18.934   63.484   33.428 -28.1123  140.733   68.960   34.412   75.300   34.236   71.112   19.012 4.187950 39.16022 
1 1 1  -21   -9   22 o   99.007   34.123  146.348  102.296   0.0000   0.0000  146.348  102.296  ?   ?    99.007   34.123 0.000000 34.12307 
1 1 1  -21   -9   23 o   75.410   31.173   52.607   95.537   0.0000   0.0000   52.607   95.537  ?   ?    75.410   31.173 0.000000 31.17325 
1 1 1  -21   -9   24 o  144.712   34.317  333.948  122.131   0.0000   0.0000  333.948  122.131  ?   ?   144.712   34.317 0.000000 34.31690 
1 1 1  -21   -9   25 o  176.141   32.308  483.612  136.872   0.0000   0.0000  483.612  136.872  ?   ?   176.141   32.308 0.000000 32.30812 
1 1 1  -21   -9   26 o   88.027   33.728  116.652  103.761   0.0000   0.0000  116.652  103.761  ?   ?    88.027   33.728 0.000000 33.72783 
1 1 1  -21   -8    1 f  215.978   10.736  585.718   57.903  632.854   81.762  538.293   82.012  223.477   14.734  205.727   16.092 17.74991 21.81826 
1 1 1  -21   -8    2 o  243.960   11.415  747.907   69.545  830.409   98.597  666.224   98.106  255.921   15.501  228.681   17.308 27.24066 23.23459 
1 1 1  -21   -8    3 o  329.464   12.138  1365.28   99.862  1335.13  141.275  1395.38  141.177  324.075   17.522  331.461   17.115 -7.385590 24.49354 
1 1 1  -21   -8    4 o  356.155   28.975  1660.32  255.462  1660.32  255.462   0.0000   0.0000  356.155   28.975  ?   ?  0.000000 28.97460 
1 1 1  -21   -8    5 o  127.614   16.980  209.788   52.767  106.680   99.940  249.642   62.134   94.867   33.653  139.070   18.339 -44.20286 38.32501 
1 1 1  -21   -8    6 o   74.076   13.897   71.400   24.762   55.193   33.593   90.684   36.643   65.316   19.273   82.947   18.191 -17.63049 26.50245 
1 1 1  -21   -8    7 o  319.197   11.807  1281.55   94.111  1257.06  133.475  1305.76  132.714  314.439   17.063  320.631   16.632 -6.191681 23.82787 
1 1 1  -21   -8    8 o  429.402   15.349  2331.60  164.583  2755.68  298.654  2146.65  197.234  460.736   26.065  410.545   19.238 50.19119 32.39567 
1 1 1  -21   -8    9 o  404.803   15.575  2073.50  157.438  2427.94  286.512  1920.19  188.436  431.795   26.702  387.624   19.530 44.17154 33.08231 
1 1 1  -21   -8   10 o  202.722   12.771  519.878   64.321  615.859  137.405  492.943   72.789  216.630   25.914  196.911   14.914 19.71980 29.89936 
1 1 1  -21   -8   11 o  269.401   13.947  918.930   93.508  960.118  181.093  903.956  109.191  270.297   27.199  266.458   16.491 3.838928 31.80757 
1 1 1  -21   -8   12 o  312.416   27.600  1284.01  213.107   0.0000   0.0000  1284.01  213.107  ?   ?   312.416   27.600 0.000000 27.59956 
1 1 1  -21   -8   13 o  433.691   33.018  2524.96  354.897   0.0000   0.0000  2524.96  354.897  ?   ?   433.691   33.018 0.000000 33.01765 
1 1 1  -21   -8   14 f  294.768   14.140  1099.78  104.080  1120.53  203.452  1092.43  121.130  290.474   28.412  292.572   16.648 -2.097748 32.93027 
1 1 1  -21   -8   15 o  385.519   14.825  1885.88  142.721  2337.99  271.560  1713.34  167.757  421.704   25.913  365.437   18.443 56.26675 31.80583 
1 1 1  -21   -8   16 o  353.729   14.816  1589.96  130.869  1999.97  254.003  1441.79  152.697  388.760   26.319  334.843   18.331 53.91684 32.07385 
1 1 1  -21   -8   17 o  198.123   13.625  500.444   66.998  724.555  160.016  452.805   73.776  231.446   28.274  187.708   15.888 43.73836 32.43232 
1 1 1  -21   -8   18 o  162.887   17.399  344.687   69.678  240.721  147.202  374.709   79.101  127.538   40.849  169.274   19.044 -41.73541 45.06956 
1 1 1  -21   -8   19 f  203.031   14.612  529.329   73.586  586.442  169.860  516.133   81.646  201.695   34.993  199.708   16.520 1.987610 38.69666 
1 1 1  -21   -8   20 o  247.860   13.993  787.934   86.257  938.535  192.757  750.226   96.453  258.603   30.431  240.791   16.134 17.81152 34.44346 
1 1 1  -21   -8   21 o  202.601   14.360  529.580   72.183  419.423  169.512  553.979   79.777  161.862   41.685  206.659   15.573 -44.79672 44.49912 
1 1 1  -21   -8   22 o   85.231   18.842   99.050   39.036   65.902  148.657  101.505   40.456   89.251   38.004   86.164   19.284 3.086617 42.61626 
1 1 1  -21   -8   23 o  104.475   35.141  167.753  108.399   0.0000   0.0000  167.753  108.399  ?   ?   104.475   35.141 0.000000 35.14073 
1 1 1  -21   -8   24 o   76.092   31.731   51.375  100.227   0.0000   0.0000   51.375  100.227  ?   ?    76.092   31.731 0.000000 31.73064 
1 1 1  -21   -8   25 o  100.818   34.907  161.415  107.106   0.0000   0.0000  161.415  107.106  ?   ?   100.818   34.907 0.000000 34.90659 
1 1 1  -21   -8   26 o   64.183   29.032 -12.5262   99.627   0.0000   0.0000 -12.5262   99.627  ?   ?    64.183   29.032 0.000000 29.03155 
1 1 1  -21   -7    1 o  524.665   16.798  3483.82  220.089  3566.13  310.882  3401.12  311.624  527.387   23.606  514.670   24.247 12.71661 33.83967 
1 1 1  -21   -7    2 o  252.045   10.793  797.671   67.929  795.528   95.711  799.847   96.424  250.528   15.373  251.192   15.447 -0.6643677 21.79297 
1 1 1  -21   -7    3 o  435.993   15.098  2399.92  164.380  2472.86  233.047  2327.70  231.894  440.217   21.200  426.297   21.857 13.92068 30.44908 
1 1 1  -21   -7    4 o  400.767   19.676  2043.79  196.918  2252.66  288.631  1861.91  269.336  415.970   27.949  377.546   28.784 38.42377 40.12069 
1 1 1  -21   -7    5 o  434.283   21.247  2408.02  230.421  2517.39  335.020  2309.84  317.421  437.797   30.841  419.504   30.509 18.29260 43.38210 
1 1 1  -21   -7    6 o  402.416   13.063  2039.44  131.271  2046.52  185.927  2032.41  185.366  401.369   18.550  399.980   18.558 1.388916 26.23975 
1 1 1  -21   -7    7 o  395.916   13.267  1974.91  131.164  1980.19  185.807  1969.66  185.182  394.641   18.854  393.596   18.841 1.045441 26.65433 
1 1 1  -21   -7    8 o  106.509   11.721  144.348   30.658  155.713   42.612  132.152   44.144  109.835   16.006  100.521   18.258 9.314484 24.28127 
1 1 1  -21   -7    9 o  178.736   13.620  405.116   60.336  377.855  124.849  413.423   68.918  167.393   31.009  180.174   15.468 -12.78113 34.65278 
1 1 1  -21   -7   10 o  415.330   15.086  2180.73  156.464  2698.77  286.549  1960.66  186.764  456.372   25.242  392.375   19.061 63.99750 31.63008 
1 1 1  -21   -7   11 o  145.770   14.086  270.693   50.637  370.360  121.222  249.626   55.732  165.707   30.416  139.444   16.313 26.26274 34.51417 
1 1 1  -21   -7   12 o  280.788   14.418  998.919  100.757  922.412  190.705  1028.55  118.673  263.802   29.452  284.202   16.796 -20.39990 33.90444 
1 1 1  -21   -7   13 o  501.019   36.828  3407.95  457.543   0.0000   0.0000  3407.95  457.543  ?   ?   501.019   36.828 0.000000 36.82837 
1 1 1  -21   -7   14 o  160.480   14.551  328.519   57.680  285.594  138.153  337.581   63.477  142.141   38.132  162.379   15.857 -20.23795 41.29736 
1 1 1  -21   -7   15 o  228.194   13.377  660.380   75.895  716.535  161.106  644.363   86.040  231.739   28.436  224.831   15.418 6.908142 32.34695 
1 1 1  -21   -7   16 o  292.714   14.900  1090.21  108.557  1007.32  210.954  1120.07  126.607  272.669   31.565  295.786   17.215 -23.11664 35.95432 
1 1 1  -21   -7   17 o  208.422   13.590  552.826   70.344  716.925  164.739  516.234   77.793  230.191   29.325  200.759   15.641 29.43179 33.23513 
1 1 1  -21   -7   18 o  226.678   14.331  655.976   80.704  605.354  173.893  669.873   91.111  207.117   34.859  228.434   16.074 -21.31772 38.38704 
1 1 1  -21   -7   19 o  103.432   18.360  141.814   45.686  242.277  134.462  128.703   48.576  128.052   38.742   97.791   20.545 30.26073 43.85209 
1 1 1  -21   -7   20 o  310.439   14.823  1233.14  114.915  1266.53  231.934  1222.27  132.294  301.198   31.293  307.285   17.311 -6.087494 35.76207 
1 1 1  -21   -7   21 o  147.766   15.042  283.045   54.731  239.680  150.290  289.676   58.767  124.467   41.371  149.138   16.031 -24.67158 44.36881 
1 1 1  -21   -7   22 o   49.057   18.177   25.509   29.581  139.095  139.969   20.198   30.265  101.569   39.110   47.055   18.167 54.51332 43.12364 
1 1 1  -21   -7   23 o  134.221   16.005  236.959   52.587   63.749  154.420  259.681   55.930   89.668   38.471  140.481   16.243 -50.81294 41.75912 
1 1 1  -21   -7   24 o  147.159   34.307  335.423  123.747   0.0000   0.0000  335.423  123.747  ?   ?   147.159   34.307 0.000000 34.30704 
1 1 1  -21   -7   25 o   67.219   29.767   2.7931   98.933   0.0000   0.0000   2.7931   98.933  ?   ?    67.219   29.767 0.000000 29.76690 
1 1 1  -21   -7   26 o  191.564   32.161  562.814  148.395   0.0000   0.0000  562.814  148.395  ?   ?   191.564   32.161 0.000000 32.16084 
1 1 1  -21   -7   27 o  210.014   31.962  682.589  162.334   0.0000   0.0000  682.589  162.334  ?   ?   210.014   31.962 0.000000 31.96195 
1 1 1  -21   -6    1 o  270.415   11.800  919.068   79.686  949.530  111.752  887.559  113.657  273.542   16.436  264.196   17.323 9.346130 23.87979 
1 1 1  -21   -6    2 o  163.731   15.812  341.747   63.847   0.0000   0.0000  341.747   63.847  ?   ?   163.731   15.812 0.000000 15.81247 
1 1 1  -21   -6    3 o  198.816   15.145  501.777   74.626  501.777   74.626   0.0000   0.0000  198.816   15.145  ?   ?  0.000000 15.14498 
1 1 1  -21   -6    4 o  231.513   15.461  679.892   88.873  791.987  140.915  605.856  114.521  247.697   23.046  216.894   21.424 30.80270 31.46612 
1 1 1  -21   -6    5 o  254.594   15.945  822.476  100.865  924.673  157.112  750.822  131.556  267.491   23.768  241.425   22.065 26.06621 32.43146 
1 1 1  -21   -6    6 o  469.476   14.998  2782.71  175.826  2902.06  248.955  2663.93  248.357  476.964   20.902  456.560   21.784 20.40436 30.18955 
1 1 1  -21   -6    7 o  274.664   11.696  948.424   80.219  968.187  113.562  928.742  113.331  276.094   16.547  270.300   16.874 5.794067 23.63399 
1 1 1  -21   -6    8 o  320.498   11.345  1290.98   90.802  1209.60  128.031  1373.35  128.800  308.633   16.674  329.592   15.649 -20.96002 22.86724 
1 1 1  -21   -6    9 o  140.900   11.671  251.314   40.694  242.855   57.152  260.014   57.956  137.432   17.017  142.362   16.615 -4.930771 23.78317 
1 1 1  -21   -6   10 o  294.672   10.538  1090.59   77.546  1076.61  109.890  1104.46  109.446  291.484   15.149  295.314   14.889 -3.829773 21.24104 
1 1 1  -21   -6   11 o  218.622   13.936  605.471   75.684  610.608  149.951  603.715   87.671  214.736   28.680  217.747   16.240 -3.011261 32.95916 
1 1 1  -21   -6   12 o  184.894   13.859  433.801   63.526  515.893  136.498  411.104   71.772  197.032   28.576  179.435   16.192 17.59714 32.84446 
1 1 1  -21   -6   13 o  177.604   28.709  421.678  122.985   0.0000   0.0000  421.678  122.985  ?   ?   177.604   28.709 0.000000 28.70946 
1 1 1  -21   -6   14 o  181.918   28.838  443.178  126.637   0.0000   0.0000  443.178  126.637  ?   ?   181.918   28.838 0.000000 28.83822 
1 1 1  -21   -6   15 o  144.897   15.382  269.028   54.805   79.684  128.949  310.772   60.546   93.790   37.117  155.745   15.786 -61.95535 40.33423 
1 1 1  -21   -6   16 o  176.421   14.252  396.593   62.254  353.035  141.886  406.978   69.278  158.127   36.648  178.350   15.716 -20.22229 39.87560 
1 1 1  -21   -6   17 o  332.893   15.116  1407.74  125.663  1399.58  239.381  1410.84  147.642  322.787   30.043  331.681   17.892 -8.893890 34.96664 
1 1 1  -21   -6   18 o  275.492   14.383  966.586   98.609  1101.69  200.382  923.414  113.274  286.382   28.394  268.211   17.000 18.17035 33.09401 
1 1 1  -21   -6   19 o  346.661   14.632  1530.42  126.668  1669.69  244.375  1479.25  148.120  352.159   28.020  338.949   17.560 13.20947 33.06798 
1 1 1  -21   -6   20 o  246.164   17.259  783.426  105.425  861.556  187.967  747.568  127.339  249.340   30.846  238.128   21.651 11.21222 37.68619 
1 1 1  -21   -6   21 o  302.976   13.918  1171.92  105.300  1486.82  220.001  1078.34  119.930  330.669   26.875  288.802   16.701 41.86710 31.64171 
1 1 1  -21   -6   22 o  152.123   14.809  299.738   55.544  185.284  154.296  316.778   59.535  112.643   41.559  156.174   15.469 -43.53085 44.34486 
1 1 1  -21   -6   23 o   62.211   19.559   51.000   33.874 -38.8811  142.652   56.371   34.872   74.848   34.199   64.946   19.747 9.902374 39.49107 
1 1 1  -21   -6   24 o  256.127   13.728  846.441   87.483  1205.37  210.924  771.866   96.142  289.873   29.552  243.202   15.918 46.67030 33.56641 
1 1 1  -21   -6   25 o  229.545   30.466  773.853  170.322   0.0000   0.0000  773.853  170.322  ?   ?   229.545   30.466 0.000000 30.46613 
1 1 1  -21   -6   26 o  155.696   35.336  385.339  134.239   0.0000   0.0000  385.339  134.239  ?   ?   155.696   35.336 0.000000 35.33553 
1 1 1  -21   -6   27 o  132.051   37.756  294.875  130.754   0.0000   0.0000  294.875  130.754  ?   ?   132.051   37.756 0.000000 37.75580 
1 1 1  -21   -6   28 o  154.712   36.723  400.586  139.752   0.0000   0.0000  400.586  139.752  ?   ?   154.712   36.723 0.000000 36.72311 
1 1 1  -21   -5    1 o  146.971   11.197  272.841   40.787  266.848   56.197  279.512   59.290  144.508   15.832  147.829   16.334 -3.320251 22.74747 
1 1 1  -21   -5    2 o  212.122   10.938  566.464   57.741  588.826   80.454  542.711   82.918  215.504   15.044  206.595   16.202 8.908249 22.10987 
1 1 1  -21   -5    3 o  347.339   13.069  1518.58  113.353  1561.97  159.789  1474.62  160.827  350.453   18.322  340.250   19.004 10.20221 26.39820 
1 1 1  -21   -5    4 o  152.017   15.836  295.034   59.234  318.941  101.989  282.865   72.764  155.018   27.346  147.783   20.250 7.235413 34.02694 
1 1 1  -21   -5    5 o  188.314   14.733  450.053   68.730  682.895  119.262  334.267   84.100  230.551   20.943  160.505   21.525 70.04573 30.03237 
1 1 1  -21   -5    6 o  274.862   11.654  949.541   79.991  1007.78  113.151  891.359  113.098  281.872   16.142  264.751   17.200 17.12094 23.58839 
1 1 1  -21   -5    7 o  349.883   12.778  1540.81  111.643  1607.30  158.107  1474.69  157.668  356.021   17.784  340.286   18.625 15.73535 25.75184 
1 1 1  -21   -5    8 o  123.092   11.317  191.971   34.397  214.818   47.332  166.399   50.074  129.626   14.892  113.118   18.356 16.50888 23.63748 
1 1 1  -21   -5    9 o  305.722   11.402  1174.74   87.047  1216.95  123.468  1133.02  122.742  309.778   16.015  298.730   16.518 11.04803 23.00734 
1 1 1  -21   -5   10 o  213.488   11.175  574.305   59.370  523.245   83.692  626.029   84.235  202.591   16.692  222.065   15.283 -19.47357 22.63150 
1 1 1  -21   -5   11 o  252.676   11.210  802.493   70.735  804.005  100.035  800.982  100.033  251.561   16.007  251.079   16.038 0.4824524 22.65963 
1 1 1  -21   -5   12 o  304.754   12.146  1168.97   92.431  1090.66  131.000  1246.62  130.436  292.442   18.026  313.164   16.740 -20.72147 24.60012 
1 1 1  -21   -5   13 o  237.536   13.625  714.147   80.481  707.669  161.843  716.275   92.764  231.266   28.636  237.358   15.740 -6.091415 32.67690 
1 1 1  -21   -5   14 o  160.504   30.928  349.475  119.467   0.0000   0.0000  349.475  119.467  ?   ?   160.504   30.928 0.000000 30.92816 
1 1 1  -21   -5   15 o  176.258   14.662  395.678   63.948  373.235  141.944  401.393   71.629  163.808   35.708  177.109   16.381 -13.30150 39.28605 
1 1 1  -21   -5   16 o  162.599   14.676  337.413   58.947  223.367  133.973  364.791   65.642  126.474   38.757  168.848   15.750 -42.37489 41.83453 
1 1 1  -21   -5   17 f  285.800   13.767  1033.69   98.251  1232.90  197.608  968.275  113.240  305.909   26.118  275.326   16.547 30.58286 30.91874 
1 1 1  -21   -5   18 o  404.396   16.644  2086.26  168.084  2128.29  310.424  2068.82  199.929  396.656   31.602  400.832   19.974 -4.175537 37.38471 
1 1 1  -21   -5   19 o  284.208   14.445  1029.27  102.178  1215.13  208.277  970.363  117.259  300.832   28.048  274.789   17.174 26.04279 32.88847 
1 1 1  -21   -5   20 o  105.806   19.449  148.948   49.493   74.965  137.327  159.992   53.059   92.606   37.725  109.532   20.141 -16.92541 42.76433 
1 1 1  -21   -5   21 o  354.831   15.097  1610.56  133.774  1896.03  262.572  1510.48  155.464  373.042   28.400  341.282   18.309 31.76056 33.78976 
1 1 1  -21   -5   22 o  176.848   14.301  402.509   62.618  458.892  161.594  392.546   67.925  174.690   38.115  174.065   15.799 0.6245422 41.25941 
1 1 1  -21   -5   23 o   89.564   18.286  108.063   39.515   43.428  144.933  113.254   41.071   86.587   37.213   91.645   18.582 -5.057465 41.59463 
1 1 1  -21   -5   24 o  123.196   15.529  199.123   46.714  236.023  158.598  195.617   48.882  120.904   42.442  121.718   16.508 -0.8138885 45.53905 
1 1 1  -21   -5   25 o  191.997   31.684  544.561  146.608   0.0000   0.0000  544.561  146.608  ?   ?   191.997   31.684 0.000000 31.68365 
1 1 1  -21   -5   26 o  238.501   30.843  840.174  179.391   0.0000   0.0000  840.174  179.391  ?   ?   238.501   30.843 0.000000 30.84292 
1 1 1  -21   -5   28 o  206.748   32.784  661.564  163.613   0.0000   0.0000  661.564  163.613  ?   ?   206.748   32.784 0.000000 32.78430 
1 1 1  -21   -5   29 o  114.851   37.937  231.202  126.445   0.0000   0.0000  231.202  126.445  ?   ?   114.851   37.937 0.000000 37.93684 
1 1 1  -21   -4    1 o  299.465   16.003  1136.25  119.239   0.0000   0.0000  1136.25  119.239  ?   ?   299.465   16.003 0.000000 16.00285 
1 1 1  -21   -4    2 o  112.192   12.992  160.470   35.725  198.850   44.943   94.592   58.881  124.729   14.712   85.212   25.605 39.51778 29.53057 
1 1 1  -21   -4    3 o  382.927   13.802  1847.27  131.978  1872.31  185.576  1821.65  187.732  383.372   19.448  377.937   19.962 5.435425 27.86971 
1 1 1  -21   -4    4 o  293.470   17.021  1093.59  124.202  1124.85  185.573  1068.22  167.164  294.664   25.470  287.892   23.456 6.771545 34.62510 
1 1 1  -21   -4    5 o  194.741   15.696  482.060   75.684  464.804  121.931  492.876   96.531  188.097   26.709  195.860   20.018 -7.762802 33.37780 
1 1 1  -21   -4    6 o  145.803   11.497  268.747   41.521  265.505   57.404  272.304   60.131  144.035   16.243  145.762   16.829 -1.726990 23.38946 
1 1 1  -21   -4    7 o  556.353   17.607  3922.99  244.619  4029.48  346.040  3816.62  345.847  559.810   24.753  544.381   25.441 15.42999 35.49599 
1 1 1  -21   -4    8 o  207.881   11.064  544.331   57.226  540.277   80.435  548.486   81.435  206.184   15.741  207.736   15.817 -1.551666 22.31489 
1 1 1  -21   -4    9 o  187.100   10.623  440.945   49.427  459.267   69.446  422.137   70.364  190.206   14.736  182.119   15.623 8.087143 21.47617 
1 1 1  -21   -4   10 o  291.968   12.382  1072.68   90.279  1059.30  127.245  1086.24  128.106  288.447   17.752  292.138   17.643 -3.691864 25.02794 
1 1 1  -21   -4   11 o  184.681   10.196  429.445   46.842  429.039   65.839  429.861   66.657  183.823   14.459  183.964   14.631 -0.1411591 20.57025 
1 1 1  -21   -4   12 o  271.365   11.714  926.165   79.377  887.204  112.225  965.170  112.288  263.985   17.116  275.599   16.390 -11.61459 23.69764 
1 1 1  -21   -4   13 o  194.165   10.897  475.247   52.624  437.884   74.150  513.162   74.696  185.268   16.190  200.956   14.993 -15.68896 22.06586 
1 1 1  -21   -4   14 o  215.651   27.431  613.832  144.380   0.0000   0.0000  613.832  144.380  ?   ?   215.651   27.431 0.000000 27.43140 
1 1 1  -21   -4   15 o  474.159   35.270  3028.33  414.627   0.0000   0.0000  3028.33  414.627  ?   ?   474.159   35.270 0.000000 35.26967 
1 1 1  -21   -4   16 o  125.542   15.871  202.929   48.643  155.799  126.405  211.121   52.701  109.849   37.928  127.829   16.926 -17.97984 41.53299 
1 1 1  -21   -4   17 o  284.428   14.123  1023.78  100.311  1024.80  196.085  1023.42  116.743  277.604   28.700  283.208   16.580 -5.603546 33.14480 
1 1 1  -21   -4   18 o  218.404   14.300  607.030   77.561  684.527  166.845  585.665   87.602  224.947   30.487  213.831   16.534 11.11552 34.68225 
1 1 1  -21   -4   19 o  217.496   14.427  603.133   77.914  654.392  167.524  588.984   88.013  218.527   31.618  214.209   16.583 4.318024 35.70250 
1 1 1  -21   -4   20 f  159.835   14.533  327.561   57.372  458.039  145.172  303.411   62.457  180.529   33.433  153.168   16.594 27.36128 37.32519 
1 1 1  -21   -4   21 o  150.331   16.955  293.625   62.537  374.107  147.420  275.963   69.059  159.491   37.623  144.744   19.611 14.74756 42.42760 
1 1 1  -21   -4   22 o  218.326   14.721  612.147   79.788  671.567  180.682  597.753   88.929  216.204   34.635  214.881   16.704 1.322922 38.45255 
1 1 1  -21   -4   23 o  145.391   14.253  273.033   51.083  581.123  160.625  238.367   53.880  200.679   33.214  135.057   16.306 65.62193 37.00089 
1 1 1  -21   -4   24 o   55.130   19.125   36.805   32.161 -21.5341  145.585   39.798   32.975   77.846   35.164   56.741   19.380 21.10461 40.15064 
1 1 1  -21   -4   25 o  146.410   15.375  280.215   55.374  396.346  169.847  266.403   58.574  154.249   42.660  142.095   16.835 12.15344 45.86185 
1 1 1  -21   -4   26 o   95.855   36.254  129.930  118.918   0.0000   0.0000  129.930  118.918  ?   ?    95.855   36.254 0.000000 36.25443 
1 1 1  -21   -4   27 o  189.857   33.665  552.018  153.766   0.0000   0.0000  552.018  153.766  ?   ?   189.857   33.665 0.000000 33.66525 
1 1 1  -21   -4   28 o   67.845   30.589 -10.5833  109.578   0.0000   0.0000 -10.5833  109.578  ?   ?    67.845   30.589 0.000000 30.58911 
1 1 1  -21   -4   29 o  188.612   34.766  567.244  157.715   0.0000   0.0000  567.244  157.715  ?   ?   188.612   34.766 0.000000 34.76619 
1 1 1  -21   -3    1 o  245.917   16.356  767.753   99.872  767.753   99.872   0.0000   0.0000  245.917   16.356  ?   ?  0.000000 16.35637 
1 1 1  -21   -3    2 o  241.994   11.012  735.335   66.548  728.565   92.419  742.625   95.905  239.729   15.521  241.935   15.964 -2.205490 22.26560 
1 1 1  -21   -3    3 o  434.897   21.235  2411.38  230.621  2506.36  332.470  2323.29  320.172  437.604   30.617  421.231   30.648 16.37314 43.32088 
1 1 1  -21   -3    4 o  237.447   16.504  716.277   97.250  565.629  145.992  836.450  130.391  207.012   29.040  255.509   20.611 -48.49649 35.61100 
1 1 1  -21   -3    5 o  236.205   16.642  709.089   97.533  549.331  148.238  831.041  129.516  203.550   30.069  254.685   20.539 -51.13527 36.41373 
1 1 1  -21   -3    6 o   68.002   15.441   60.682   25.623   75.187   34.024   41.679   38.945   75.521   18.246   60.327   21.040 15.19328 27.84898 
1 1 1  -21   -3    7 o  201.485   11.211  511.493   56.185  389.741   77.516  646.254   81.552  174.426   18.058  225.908   14.533 -51.48192 23.17974 
1 1 1  -21   -3    8 o  198.175   11.492  495.134   56.628  520.795   79.599  468.838   80.579  202.396   15.876  191.712   17.008 10.68449 23.26655 
1 1 1  -21   -3    9 o  317.447   12.531  1267.97   99.335  1345.61  140.392  1190.14  140.571  325.441   17.338  305.638   18.505 19.80249 25.35791 
1 1 1  -21   -3   10 o  340.431   12.602  1458.55  107.132  1582.30  151.909  1336.09  151.109  353.374   17.215  323.761   18.771 29.61304 25.46930 
1 1 1  -21   -3   11 o  176.929   11.123  394.849   48.895  392.086   68.461  397.726   69.856  175.409   15.799  176.629   16.012 -1.219635 22.49404 
1 1 1  -21   -3   12 o  347.824   12.451  1522.77  108.146  1512.90  152.949  1532.65  152.933  344.810   17.824  347.103   17.703 -2.292542 25.12123 
1 1 1  -21   -3   13 o  154.116   11.156  300.067   42.645  321.776   59.985  277.883   60.638  158.832   15.313  147.164   16.801 11.66798 22.73295 
1 1 1  -21   -3   14 o  189.419   10.794  452.318   50.846  420.482   71.568  484.765   72.252  181.568   15.946  195.289   14.929 -13.72038 21.84362 
1 1 1  -21   -3   15 o  417.819   32.368  2322.84  335.085   0.0000   0.0000  2322.84  335.085  ?   ?   417.819   32.368 0.000000 32.36816 
1 1 1  -21   -3   16 o  438.824   16.607  2444.80  181.985  2811.14  332.341  2287.91  217.490  462.066   28.949  422.627   20.608 39.43851 35.53452 
1 1 1  -21   -3   17 o   74.454   20.050   73.432   38.110  118.114  120.393   68.457   40.176  100.216   36.751   72.238   21.010 27.97849 42.33271 
1 1 1  -21   -3   18 o  141.697   15.743  258.012   54.765   58.795  131.678  299.678   60.220   90.227   36.869  152.761   16.025 -62.53445 40.20087 
1 1 1  -21   -3   19 o  193.005   14.578  475.266   69.744  400.955  152.071  495.060   78.485  167.753   37.270  196.540   16.134 -28.78728 40.61199 
1 1 1  -21   -3   20 o  267.877   14.217  913.781   94.760  1051.76  195.411  871.360  108.353  279.680   28.372  260.587   16.739 19.09293 32.94202 
1 1 1  -21   -3   21 o  119.229   18.053  186.641   52.069  259.073  138.151  174.648   56.215  132.676   39.067  114.513   20.407 18.16345 44.07531 
1 1 1  -21   -3   22 o  160.863   15.136  333.565   60.088  387.565  152.070  323.574   65.411  161.509   38.288  157.827   16.857 3.682068 41.83466 
1 1 1  -21   -3   23 o   97.266   17.808  125.946   41.661  196.227  142.911  119.419   43.552  115.678   40.306   94.245   19.158 21.43316 44.62736 
1 1 1  -21   -3   24 o  109.772   16.575  158.961   44.021  312.231  155.215  145.555   45.906  140.180   41.447  104.361   18.281 35.81875 45.29940 
1 1 1  -21   -3   25 f  109.078   18.663  159.829   49.008   0.0000   0.0000  159.829   49.008  ?   ?   109.078   18.663 0.000000 18.66297 
1 1 1  -21   -3   26 o   90.779   20.651  113.829   45.760   90.943  164.449  115.750   47.641   94.809   40.155   91.338   21.282 3.471085 45.44610 
1 1 1  -21   -3   27 o  148.115   36.888  350.183  135.920   0.0000   0.0000  350.183  135.920  ?   ?   148.115   36.888 0.000000 36.88765 
1 1 1  -21   -3   28 o  141.206   37.601  327.119  134.947   0.0000   0.0000  327.119  134.947  ?   ?   141.206   37.601 0.000000 37.60061 
1 1 1  -21   -3   29 o   79.205   33.749   53.681  117.376   0.0000   0.0000   53.681  117.376  ?   ?    79.205   33.749 0.000000 33.74888 
1 1 1  -21   -3   30 o  129.084   39.238  294.066  137.692   0.0000   0.0000  294.066  137.692  ?   ?   129.084   39.238 0.000000 39.23790 
1 1 1  -21   -2    1 o   97.035   13.681  120.864   32.230  154.775   43.246   78.499   48.338  109.507   16.312   77.761   23.162 31.74625 28.32958 
1 1 1  -21   -2    2 o  224.220   12.733  634.465   71.002  675.915   88.424  559.234  119.126  230.890   15.425  207.798   23.362 23.09184 27.99474 
1 1 1  -21   -2    3 o  231.950   15.796  682.617   90.949  683.717  138.549  681.784  120.561  229.603   24.545  230.358   21.196 -0.7543640 32.42995 
1 1 1  -21   -2    4 o  192.912   15.611  472.928   74.558  485.773  119.547  464.750   95.382  192.832   25.448  190.055   20.417 2.776932 32.62593 
1 1 1  -21   -2    5 o  368.533   15.164  1714.15  139.556  1805.43  243.910  1669.71  170.162  373.382   26.328  362.195   18.879 11.18658 32.39703 
1 1 1  -21   -2    6 o  307.961   11.727  1191.87   90.185  1205.59  126.444  1177.66  128.666  308.335   16.482  304.588   16.984 3.747345 23.66623 
1 1 1  -21   -2    7 o  165.218   10.388  343.913   42.640  334.763   58.707  354.129   62.036  162.273   14.645  166.855   15.050 -4.582275 21.00011 
1 1 1  -21   -2    8 o  323.198   12.186  1313.57   98.354  1326.46  138.489  1300.46  139.707  323.200   17.221  319.902   17.555 3.297577 24.59188 
1 1 1  -21   -2    9 o  212.360   10.997  567.884   58.116  593.973   81.337  540.673   83.066  216.389   15.148  206.150   16.268 10.23918 22.22839 
1 1 1  -21   -2   10 o  206.616   11.623  538.252   59.728  572.786   84.007  502.950   84.936  212.271   15.965  198.516   17.307 13.75523 23.54568 
1 1 1  -21   -2   11 o  224.352   10.663  632.059   59.738  613.076   83.864  651.613   85.114  219.765   15.378  226.658   15.125 -6.892502 21.56967 
1 1 1  -21   -2   12 o  120.417   12.135  184.223   35.994  212.893   49.515  152.093   52.417  128.847   15.715  107.578   20.255 21.26836 25.63605 
1 1 1  -21   -2   13 o  196.399   11.045  486.205   53.950  487.569   75.499  484.781   77.120  195.770   15.572  195.115   15.968 0.6556854 22.30389 
1 1 1  -21   -2   14 o  361.112   12.960  1643.02  116.868  1646.97  165.452  1639.08  165.102  359.421   18.497  358.554   18.502 0.8665161 26.16237 
1 1 1  -21   -2   15 o  328.084   18.605  1374.31  151.800  1402.27  201.533  1337.64  230.782  328.669   24.736  318.519   29.345 10.15067 38.37948 
1 1 1  -21   -2   16 o  373.852   15.281  1769.22  142.657  1671.04  171.757  1987.58  256.158  361.482   19.095  390.201   26.445 -28.71942 32.61828 
1 1 1  -21   -2   17 o  164.486   15.124  345.420   61.426  223.498  137.005  376.095   68.720  126.877   39.245  171.410   16.249 -44.53300 42.47555 
1 1 1  -21   -2   18 o  183.802   14.524  430.357   66.121  462.931  148.554  422.309   73.839  183.361   33.685  181.553   16.466 1.807297 37.49384 
1 1 1  -21   -2   19 o  285.497   14.511  1035.99  103.114  1199.27  203.887  979.872  119.527  300.657   27.459  276.570   17.395 24.08649 32.50538 
1 1 1  -21   -2   20 o  344.547   16.174  1513.63  139.159  1512.47  263.793  1514.07  163.806  333.273   32.093  342.650   19.221 -9.376801 37.40921 
1 1 1  -21   -2   21 o   68.587   19.947   62.169   36.215   75.933  130.583   61.022   37.693   91.881   37.017   68.180   20.486 23.70088 42.30782 
1 1 1  -21   -2   22 f  104.227   19.093  144.492   47.863  153.878  134.538  143.132   51.214  107.432   38.933  103.272   20.581 4.160042 44.03835 
1 1 1  -21   -2   23 o   66.845   19.693   59.338   35.097  149.355  136.840   53.000   36.311  105.776   39.116   63.946   20.268 41.83072 44.05474 
1 1 1  -21   -2   24 o   72.009   19.814   70.080   36.750 -41.3769  144.748   77.760   37.995   76.144   34.658   75.706   19.853 0.4384384 39.94174 
1 1 1  -21   -2   25 o   74.278   30.499   43.757   90.656  161.591  153.229 -19.7018  112.448  107.249   41.012   69.508   31.193 37.74129 51.52674 
1 1 1  -21   -2   26 o   69.299   19.962   65.304   36.426   26.028  155.796   67.575   37.464   85.191   37.558   70.419   20.233 14.77180 42.66124 
1 1 1  -21   -2   27 o  202.636   32.912  612.917  160.828   0.0000   0.0000  612.917  160.828  ?   ?   202.636   32.912 0.000000 32.91225 
1 1 1  -21   -2   28 o  121.195   38.675  242.381  132.044   0.0000   0.0000  242.381  132.044  ?   ?   121.195   38.675 0.000000 38.67466 
1 1 1  -21   -2   29 o  315.059   33.664  1519.34  260.754   0.0000   0.0000  1519.34  260.754  ?   ?   315.059   33.664 0.000000 33.66392 
1 1 1  -21   -2   30 o   95.913   37.365  139.529  128.919   0.0000   0.0000  139.529  128.919  ?   ?    95.913   37.365 0.000000 37.36514 
1 1 1  -21   -2   31 o  121.981   40.551  272.576  144.386   0.0000   0.0000  272.576  144.386  ?   ?   121.981   40.551 0.000000 40.55089 
1 1 1  -21   -1    1 o   85.644   20.922   97.109   44.363  105.438   81.299   93.577   52.939   91.702   30.426   84.333   23.993 7.369232 38.74797 
1 1 1  -21   -1    2 o  426.846   20.977  2321.82  223.600  2407.91  322.507  2242.12  310.282  429.086   30.293  414.032   30.219 15.05444 42.78862 
1 1 1  -21   -1    3 o  159.906   16.323  326.468   64.265  287.950  105.876  348.938   80.866  146.392   29.971  164.470   20.108 -18.07854 36.09150 
1 1 1  -21   -1    4 o  232.720   16.254  687.799   93.869  596.341  141.935  758.900  125.146  213.312   27.270  243.246   20.803 -29.93382 34.29832 
1 1 1  -21   -1    5 o  374.259   14.031  1765.09  131.134  1834.82  184.568  1694.01  186.347  379.473   19.543  364.185   20.575 15.28717 28.37713 
1 1 1  -21   -1    6 o  269.915   12.035  915.877   81.120  958.480  113.638  871.612  115.834  274.790   16.639  261.673   17.833 13.11658 24.38994 
1 1 1  -21   -1    7 o  229.139   11.155  659.449   63.831  658.218   89.045  660.749   91.549  227.737   15.754  228.075   16.179 -0.3385010 22.58233 
1 1 1  -21   -1    8 o  262.294   11.703  864.649   76.655  838.625  106.966  892.125  109.907  256.914   16.765  265.034   16.692 -8.120911 23.65716 
1 1 1  -21   -1    9 o  210.277   10.862  556.692   56.840  525.926   78.990  589.727   81.852  203.447   15.668  215.584   15.304 -12.13651 21.90215 
1 1 1  -21   -1   10 o  298.813   11.753  1122.42   87.702  1078.71  123.010  1167.61  125.076  291.400   16.978  303.327   16.575 -11.92703 23.72734 
1 1 1  -21   -1   11 o   82.714   14.430   88.746   28.722   70.064   37.856  114.086   44.089   73.037   20.116   93.021   19.599 -19.98343 28.08486 
1 1 1  -21   -1   12 o  125.302   11.778  199.119   36.421  191.584   49.884  207.721   53.299  121.898   16.837  126.915   17.265 -5.017586 24.11584 
1 1 1  -21   -1   13 o  316.817   13.386  1264.90  105.900  1371.39  150.114  1159.39  149.419  328.056   18.398  300.996   19.993 27.06039 27.16995 
1 1 1  -21   -1   14 o  160.003   11.438  323.488   45.401  366.242   63.214  277.938   65.248  169.595   15.084  146.852   18.181 22.74367 23.62346 
1 1 1  -21   -1   15 o  213.643   16.479  581.724   87.239  636.937  108.908  482.864  145.730  222.638   19.795  189.199   31.985 33.43881 37.61494 
1 1 1  -21   -1   16 o  179.954   16.385  413.830   72.822  457.436   87.436  315.098  131.568  188.606   18.816  150.701   35.539 37.90501 40.21215 
1 1 1  -21   -1   17 o   84.456   13.839   92.369   28.175   96.460   38.295   87.541   41.601   85.426   18.488   81.148   20.518 4.277702 27.61852 
1 1 1  -21   -1   18 o  312.898   14.231  1238.62  111.199  1313.05  212.656  1210.60  130.456  315.721   27.239  308.032   17.026 7.689819 32.12249 
1 1 1  -21   -1   19 o  118.024   16.499  180.485   47.299  116.341  127.326  190.754   50.944  100.551   37.622  121.177   17.329 -20.62587 41.42148 
1 1 1  -21   -1   20 o  187.778   14.375  449.810   66.894  521.696  153.129  432.856   74.365  194.481   32.690  183.602   16.392 10.87912 36.56979 
1 1 1  -21   -1   21 o  142.604   15.708  262.191   55.009  318.180  141.830  252.277   59.681  147.958   38.144  139.311   17.545 8.646667 41.98499 
1 1 1  -21   -1   22 o  177.058   16.695  405.025   72.943  537.117  158.331  369.436   82.184  195.215   33.697  167.807   20.007 27.40758 39.18860 
1 1 1  -21   -1   23 o   68.583   19.988   62.566   36.330 -48.3533  138.889   70.712   37.640   74.652   33.968   72.577   20.087 2.075371 39.46240 
1 1 1  -21   -1   24 o  187.815   15.766  456.210   73.260   0.0000   0.0000  456.210   73.260  ?   ?   187.815   15.766 0.000000 15.76605 
1 1 1  -21   -1   25 o  187.532   14.574  453.854   67.715  499.903  171.562  445.356   73.699  180.415   39.200  185.099   16.105 -4.683395 42.37974 
1 1 1  -21   -1   26 o  189.084   14.838  463.282   69.498  766.487  185.412  413.719   74.963  228.532   33.482  177.556   17.119 50.97607 37.60487 
1 1 1  -21   -1   27 o  152.769   15.690  305.643   59.005  318.383  176.632  304.043   62.601  135.742   44.838  151.861   16.788 -16.11951 47.87796 
1 1 1  -21   -1   28 o  138.336   38.831  313.146  139.632   0.0000   0.0000  313.146  139.632  ?   ?   138.336   38.831 0.000000 38.83110 
1 1 1  -21   -1   29 o  109.581   38.450  194.621  130.163   0.0000   0.0000  194.621  130.163  ?   ?   109.581   38.450 0.000000 38.45000 
1 1 1  -21   -1   30 o  116.987   39.961  235.449  140.198   0.0000   0.0000  235.449  140.198  ?   ?   116.987   39.961 0.000000 39.96099 
1 1 1  -21   -1   31 o   79.731   34.576   50.386  127.372   0.0000   0.0000   50.386  127.372  ?   ?    79.731   34.576 0.000000 34.57551 
1 1 1  -21    0    1 o  344.481   18.535  1509.91  158.858  1575.52  233.218  1453.12  216.979  348.310   27.025  334.842   26.157 13.46780 37.61010 
1 1 1  -21    0    2 o  438.999   21.905  2460.80  240.132  2332.26  344.305  2582.55  335.078  420.379   33.065  444.309   30.382 -23.93076 44.90439 
1 1 1  -21    0    3 o  206.905   13.478  541.318   69.258  567.895  125.104  529.573   83.165  209.052   24.425  204.008   16.465 5.043427 29.45610 
1 1 1  -21    0    4 o  228.033   11.721  655.149   66.521  720.948   92.628  585.071   95.592  238.428   15.644  214.107   18.047 24.32144 23.88383 
1 1 1  -21    0    5 o  279.756   11.461  983.244   80.068  968.033  111.286  999.570  115.287  276.279   16.201  280.671   16.522 -4.392242 23.13957 
1 1 1  -21    0    6 o  153.069   11.265  295.868   42.756  324.405   58.605  263.394   62.518  159.686   14.868  143.102   17.885 16.58362 23.25783 
1 1 1  -21    0    7 o  331.444   13.298  1383.18  110.062  1453.47  154.719  1311.17  156.601  338.000   18.400  320.553   19.658 17.44672 26.92589 
1 1 1  -21    0    8 o  332.720   12.357  1392.34  102.671  1284.23  143.174  1506.79  147.312  317.727   18.120  344.981   17.100 -27.25443 24.91481 
1 1 1  -21    0    9 o  183.685   11.332  425.473   51.724  452.077   72.082  397.233   74.266  188.589   15.441  176.337   17.079 12.25163 23.02474 
1 1 1  -21    0   10 o  230.686   11.644  670.524   66.860  709.578   93.626  629.884   95.511  236.406   15.953  222.331   17.340 14.07442 23.56195 
1 1 1  -21    0   11 o  163.633   11.053  337.852   44.901  320.455   61.907  357.159   65.220  158.457   15.858  167.383   15.790 -8.925293 22.37854 
1 1 1  -21    0   12 f   90.804   14.116  106.369   30.969  129.512   41.703   77.914   46.242   99.708   17.381   77.235   22.562 22.47349 28.48070 
1 1 1  -21    0   13 f  151.167   11.305  288.769   42.367  311.271   58.770  264.423   61.132  156.242   15.258  143.406   17.429 12.83620 23.16393 
1 1 1  -21    0   14 o  173.270   11.765  379.297   50.603  427.894   71.243  329.816   71.889  183.283   15.718  160.132   18.307 23.15172 24.12853 
1 1 1  -21    0   15 f  138.086   16.562  244.928   55.969  269.179   64.627  172.168  111.944  144.421   18.333  113.377   35.541 31.04392 39.99079 
1 1 1  -21    0   16 o  388.589   20.813  1936.95  201.229  2024.21  272.638  1832.53  298.246  393.131   27.954  370.931   32.527 22.20029 42.88803 
1 1 1  -21    0   17 o  318.297   12.543  1276.92   99.695  1286.40  140.900  1267.41  141.080  317.490   17.844  315.070   18.006 2.420654 25.35000 
1 1 1  -21    0   18 o  234.798   11.687  694.352   68.526  754.271   97.210  635.168   96.612  243.275   16.093  222.728   17.511 20.54691 23.78281 
1 1 1  -21    0   19 o  147.361   11.788  275.425   43.014  280.902   60.627  269.874   61.037  147.686   16.734  144.586   17.245 3.099625 24.03012 
1 1 1  -21    0   20 o  127.351   15.408  208.938   48.003  238.704  131.126  204.332   51.583  129.543   38.037  125.536   16.883 4.006638 41.61501 
1 1 1  -21    0   21 o  337.599   14.643  1448.29  123.445  1730.34  240.201  1347.06  143.903  360.845   26.849  323.759   17.868 37.08618 32.25101 
1 1 1  -21    0   22 o   71.947   19.871   69.056   36.881  138.944  133.634   63.294   38.372  104.752   38.671   69.293   20.636 35.45874 43.83238 
1 1 1  -21    0   23 o   49.520   19.141   21.631   33.627 -12.2960  136.816   23.812   34.692   78.809   34.947   50.851   19.498 27.95768 40.01819 
1 1 1  -21    0   24 o  199.132   37.403  583.885  179.162  583.885  179.162   0.0000   0.0000  199.132   37.403  ?   ?  0.000000 37.40263 
1 1 1  -21    0   25 o   69.732   20.532   65.278   38.159 -80.4309  147.878   75.673   39.497   72.671   33.777   74.667   20.540 -1.995560 39.53176 
1 1 1  -21    0   26 o  101.970   17.769  138.933   43.603  301.721  155.288  125.000   45.430  136.851   41.685   95.970   19.619 40.88094 46.07138 
1 1 1  -21    0   27 o  104.569   17.973  146.705   45.240   48.687  159.679  155.260   47.173   88.863   38.624  107.543   18.216 -18.67939 42.70433 
1 1 1  -21    0   28 o  164.408   36.469  421.818  145.806   0.0000   0.0000  421.818  145.806  ?   ?   164.408   36.469 0.000000 36.46868 
1 1 1  -21    0   29 o  124.044   39.287  255.212  136.458   0.0000   0.0000  255.212  136.458  ?   ?   124.044   39.287 0.000000 39.28747 
1 1 1  -21    0   30 o   56.093   27.073 -131.7002  114.007   0.0000   0.0000 -131.7002  114.007  ?   ?    56.093   27.073 0.000000 27.07275 
1 1 1  -21    0   31 o   89.647   37.196  100.836  136.739   0.0000   0.0000  100.836  136.739  ?   ?    89.647   37.196 0.000000 37.19555 
1 1 1  -21    0   32 o  162.892   40.797  470.960  165.589   0.0000   0.0000  470.960  165.589  ?   ?   162.892   40.797 0.000000 40.79665 
1 1 1  -21    1    1 o  148.322   11.878  278.281   43.627  322.930   59.345  225.775   64.355  159.260   15.102  131.756   20.204 27.50403 25.22492 
1 1 1  -21    1    2 o  188.577   10.934  448.027   51.268  491.877   70.657  399.272   74.504  196.983   14.465  176.805   17.088 20.17799 22.38814 
1 1 1  -21    1    3 o  315.557   12.800  1253.01  100.865  1283.00  141.182  1221.74  144.154  317.668   17.870  309.694   18.728 7.974152 25.88573 
1 1 1  -21    1    4 o  193.469   11.184  471.673   53.803  479.879   74.048  462.496   78.310  194.367   15.382  190.517   16.627 3.850433 22.65040 
1 1 1  -21    1    5 o   98.801   13.199  125.013   31.752  116.186   41.775  137.089   48.860   94.145   18.429  102.161   19.867 -8.015656 27.09866 
1 1 1  -21    1    6 o  259.323   11.624  845.060   75.271  805.247  104.443  888.086  108.577  251.754   16.708  264.487   16.522 -12.73340 23.49759 
1 1 1  -21    1    7 o  275.964   12.500  957.982   86.139  1005.16  120.247  908.261  123.453  281.244   17.204  266.883   18.641 14.36063 25.36661 
1 1 1  -21    1    8 o  368.794   13.895  1713.95  127.963  1756.64  179.851  1670.20  182.103  371.237   19.468  361.663   20.245 9.574127 28.08664 
1 1 1  -21    1    9 o  123.462   12.137  193.485   36.934  171.761   49.784  220.079   55.083  115.101   17.903  130.733   17.297 -15.63259 24.89369 
1 1 1  -21    1   10 o  186.622   11.700  439.452   54.248  464.007   75.225  412.847   78.303  190.956   15.920  179.641   17.684 11.31595 23.79491 
1 1 1  -21    1   11 o  145.628   11.453  268.129   41.312  271.706   56.594  264.050   60.444  145.796   15.797  143.390   17.225 2.405228 23.37214 
1 1 1  -21    1   12 o  118.987   12.471  180.059   36.504  230.765   50.144  122.891   53.244  134.340   15.216   96.123   22.567 38.21647 27.21772 
1 1 1  -21    1   13 f  274.138   11.200  944.371   76.670  927.162  107.005  962.526  109.908  270.299   15.923  275.387   16.052 -5.088135 22.60992 
1 1 1  -21    1   14 o  249.885   11.745  785.296   73.290  791.914  103.051  778.523  104.255  249.506   16.635  247.281   16.986 2.225189 23.77506 
1 1 1  -21    1   15 o  246.438   16.006  771.911   97.970  709.362  122.977  880.571  162.087  234.622   21.219  260.003   25.284 -25.38072 33.00808 
1 1 1  -21    1   16 o  273.170   19.727  956.749  133.665  1374.68  178.485  423.049  201.697  326.701   22.006  170.970   46.162 155.7314 51.13903 
1 1 1  -21    1   17 o  137.201   12.074  238.845   40.946  232.204   55.924  246.520   60.117  134.197   17.075  138.138   17.845 -3.940903 24.69761 
1 1 1  -21    1   18 o  205.173   11.368  531.459   58.019  543.343   81.414  519.196   82.702  206.384   15.920  201.538   16.580 4.845596 22.98548 
1 1 1  -21    1   19 o  209.539   10.952  554.124   57.109  530.727   79.734  578.770   81.835  203.883   15.784  213.046   15.488 -9.163116 22.11348 
1 1 1  -21    1   20 o  156.909   11.085  311.689   43.157  288.192   59.631  337.532   62.538  149.661   16.215  162.258   15.627 -12.59648 22.51978 
1 1 1  -21    1   21 o  279.439   14.456  993.889  100.533  1108.19  201.685  956.098  115.967  287.559   28.460  273.028   17.095 14.53073 33.19966 
1 1 1  -21    1   22 o  128.143   16.293  212.947   50.957  302.128  140.688  199.481   54.669  143.771   38.442  123.366   18.301 20.40588 42.57629 
1 1 1  -21    1   23 o  196.280   20.279  505.024   97.966   0.0000   0.0000  505.024   97.966  ?   ?   196.280   20.279 0.000000 20.27943 
1 1 1  -21    1   24 o  233.241   14.991  698.497   86.850  839.447  190.236  661.383   97.617  244.747   31.883  225.837   17.445 18.91026 36.34345 
1 1 1  -21    1   25 o  196.285   14.543  495.856   70.776  643.569  173.535  466.382   77.516  211.081   34.083  189.502   16.547 21.57903 37.88751 
1 1 1  -21    1   26 o  115.322   16.810  175.500   46.987  256.773  157.048  167.510   49.242  127.167   42.292  112.108   18.215 15.05911 46.04806 
1 1 1  -21    1   27 o   67.534   20.595   61.277   37.889   44.547  159.534   62.277   39.005   88.665   38.573   68.094   20.920 20.57143 43.88026 
1 1 1  -21    1   28 o  162.669   15.398  345.651   61.803  585.230  185.394  315.698   65.553  191.379   40.077  154.523   17.284 36.85588 43.64544 
1 1 1  -21    1   29 o   96.221   37.094  129.178  126.026   0.0000   0.0000  129.178  126.026  ?   ?    96.221   37.094 0.000000 37.09404 
1 1 1  -21    1   30 f   92.641   37.144  112.651  130.791   0.0000   0.0000  112.651  130.791  ?   ?    92.641   37.144 0.000000 37.14383 
1 1 1  -21    1   31 o  128.025   41.200  288.686  149.607   0.0000   0.0000  288.686  149.607  ?   ?   128.025   41.200 0.000000 41.19952 
1 1 1  -21    1   32 o  130.366   42.318  314.052  157.590   0.0000   0.0000  314.052  157.590  ?   ?   130.366   42.318 0.000000 42.31802 
1 1 1  -21    1   33 f  119.250   42.626  275.446  160.634   0.0000   0.0000  275.446  160.634  ?   ?   119.250   42.626 0.000000 42.62580 
1 1 1  -21    2    1 o  212.292   10.828  567.387   57.209  536.417   78.193  603.063   83.923  205.540   15.345  217.960   15.520 -12.42003 21.82540 
1 1 1  -21    2    2 o  276.720   12.114  962.911   83.713  1024.42  116.733  897.788  120.117  284.096   16.526  265.419   18.233 18.67743 24.60784 
1 1 1  -21    2    3 o  309.258   12.449  1203.10   96.140  1277.97  134.319  1124.45  137.669  317.279   17.015  297.052   18.654 20.22632 25.24809 
1 1 1  -21    2    4 o   82.132   15.264   87.826   30.154   99.556   39.562   71.564   46.581   86.942   18.772   74.613   22.851 12.32909 29.57277 
1 1 1  -21    2    5 o  122.561   12.195  190.721   36.829  202.413   49.469  176.182   55.164  125.545   16.154  116.185   19.718 9.359917 25.49028 
1 1 1  -21    2    6 o  165.855   10.767  346.807   44.353  301.175   59.913  402.140   65.975  153.598   15.848  177.894   14.991 -24.29567 21.81476 
1 1 1  -21    2    7 o  225.670   11.239  639.743   63.337  630.673   87.031  649.955   92.350  222.883   15.738  226.105   16.469 -3.222321 22.77969 
1 1 1  -21    2    8 o  192.753   11.159  468.227   53.482  452.402   73.258  486.286   78.259  188.598   15.698  195.470   16.178 -6.871506 22.54202 
1 1 1  -21    2    9 o  325.244   12.528  1330.92  101.749  1288.19  142.080  1375.90  145.781  318.229   17.952  328.962   17.812 -10.73309 25.28967 
1 1 1  -21    2   10 o  167.846   10.617  355.096   44.273  291.784   59.778  432.012   65.889  151.088   16.092  184.525   14.413 -33.43674 21.60282 
1 1 1  -21    2   11 o  174.747   11.494  385.405   49.878  423.405   69.105  344.082   72.064  182.469   15.307  163.776   17.913 18.69292 23.56221 
1 1 1  -21    2   12 o   92.187   13.794  109.422   30.779   96.818   40.924  125.835   46.701   85.580   19.575   97.744   19.811 -12.16325 27.85056 
1 1 1  -21    2   13 o  290.912   11.847  1064.29   86.066  1081.87  120.882  1046.22  122.566  291.833   16.656  286.810   17.192 5.023315 23.93758 
1 1 1  -21    2   14 o  491.940   16.619  3065.47  204.153  3015.60  288.178  3115.71  289.257  484.281   23.829  492.436   23.523 -8.154633 33.48354 
1 1 1  -21    2   15 o  197.190   16.040  495.363   78.301  506.388   95.554  472.830  136.613  198.451   19.535  188.044   30.108 10.40718 35.89056 
1 1 1  -21    2   16 o  145.898   16.556  273.160   59.253  292.585   68.220  213.495  119.560  150.566   18.535  124.602   36.245 25.96475 40.70922 
1 1 1  -21    2   17 o  260.428   11.995  854.006   78.005  785.854  109.409  924.465  111.246  247.976   17.786  269.435   16.615 -21.45955 24.33969 
1 1 1  -21    2   18 o  207.756   11.249  544.725   58.144  594.786   81.530  492.910   82.946  216.197   15.198  196.205   17.100 19.99159 22.87775 
1 1 1  -21    2   19 o  248.703   11.018  778.552   68.431  685.002   95.421  877.613   98.191  231.541   16.613  262.736   15.028 -31.19566 22.40209 
1 1 1  -21    2   20 o  118.552   12.224  179.199   35.670  184.411   48.178  172.876   53.066  119.265   16.629  114.717   19.203 4.547241 25.40230 
1 1 1  -21    2   21 o  117.726   12.277  176.935   35.561  199.781   48.240  149.743   52.628  124.307   15.905  106.082   20.609 18.22475 26.03319 
1 1 1  -21    2   22 o  159.271   17.259  328.393   67.546   0.0000   0.0000  328.393   67.546  ?   ?   159.271   17.259 0.000000 17.25901 
1 1 1  -21    2   23 o  223.139   34.217  701.446  184.582  701.446  184.582   0.0000   0.0000  223.139   34.217  ?   ?  0.000000 34.21719 
1 1 1  -21    2   24 o   91.637   20.464  113.438   45.646   30.343  136.568  123.888   48.432   84.577   36.230   95.734   20.849 -11.15731 41.80045 
1 1 1  -21    2   25 o  186.173   14.588  446.085   67.278  497.502  165.235  435.866   73.660  182.933   37.432  183.359   16.256 -0.4263306 40.80948 
1 1 1  -21    2   26 o  212.407   14.788  581.917   77.947  619.653  183.081  573.563   86.145  203.230   37.455  210.025   16.559 -6.794373 40.95214 
1 1 1  -21    2   27 o   90.568   19.677  111.780   43.231  -6.9181  152.906  122.092   45.070   81.119   36.391   94.738   19.693 -13.61938 41.37820 
1 1 1  -21    2   28 o  105.503   18.064  149.486   45.880  439.861  173.294  127.599   47.577  163.439   42.176   96.430   20.395 67.00929 46.84871 
1 1 1  -21    2   29 o   67.629   31.020 -40.4737  118.912   0.0000   0.0000 -40.4737  118.912  ?   ?    67.629   31.020 0.000000 31.02040 
1 1 1  -21    2   30 f  109.709   39.190  193.327  135.764   0.0000   0.0000  193.327  135.764  ?   ?   109.709   39.190 0.000000 39.19035 
1 1 1  -21    2   31 o  199.505   37.377  638.078  179.371   0.0000   0.0000  638.078  179.371  ?   ?   199.505   37.377 0.000000 37.37719 
1 1 1  -21    2   32 o   87.427   37.059   85.124  140.256   0.0000   0.0000   85.124  140.256  ?   ?    87.427   37.059 0.000000 37.05915 
1 1 1  -21    2   33 o  199.544   39.947  686.851  192.113   0.0000   0.0000  686.851  192.113  ?   ?   199.544   39.947 0.000000 39.94742 
1 1 1  -21    3    1 o  176.073   11.275  391.111   49.313  404.456   66.704  375.026   73.230  178.345   15.120  171.181   17.372 7.164215 23.03002 
1 1 1  -21    3    2 o  161.708   11.128  330.033   44.661  354.169   60.198  300.482   66.609  166.925   14.588  152.958   17.770 13.96686 22.99056 
1 1 1  -21    3    3 o  283.683   11.639  1011.53   82.450  1047.54  114.479  972.712  118.847  287.411   16.014  276.567   17.295 10.84399 23.57056 
1 1 1  -21    3    4 o  157.165   11.192  311.846   43.639  303.625   58.866  321.876   65.021  154.289   15.487  158.647   16.661 -4.357697 22.74760 
1 1 1  -21    3    5 o  365.022   13.431  1678.31  122.431  1708.78  171.980  1647.00  174.333  366.308   18.865  359.368   19.499 6.940063 27.13136 
1 1 1  -21    3    6 o  184.869   11.132  430.835   51.153  417.103   69.852  446.715   75.118  181.052   15.602  187.274   16.223 -6.221741 22.50803 
1 1 1  -21    3    7 o  342.924   12.926  1480.30  110.688  1540.81  155.110  1417.51  158.002  348.132   17.903  333.478   19.052 14.65466 26.14381 
1 1 1  -21    3    8 o  218.546   11.796  602.141   64.136  636.085   88.949  565.383   92.563  223.751   16.026  210.454   17.779 13.29704 23.93576 
1 1 1  -21    3    9 o  152.899   12.081  295.792   45.753  307.676   62.059  281.641   67.719  155.154   16.259  147.790   18.773 7.364166 24.83475 
1 1 1  -21    3   10 o  286.934   11.491  1034.72   82.335  1006.30  114.488  1065.16  118.493  281.572   16.353  289.689   16.448 -8.116760 23.19364 
1 1 1  -21    3   11 o  297.022   12.172  1109.71   90.283  1132.95  126.294  1085.43  129.110  298.607   17.007  292.020   17.790 6.587616 24.61152 
1 1 1  -21    3   12 o  173.282   11.481  379.039   49.399  411.600   67.904  342.434   71.998  179.880   15.261  163.344   17.947 16.53583 23.55805 
1 1 1  -21    3   13 o   80.462   15.570   84.549   30.153   93.195   39.022   71.736   47.503   83.994   19.043   74.749   23.107 9.244530 29.94279 
1 1 1  -21    3   14 o  363.750   13.768  1668.60  125.064  1624.69  175.777  1713.62  177.977  356.527   19.822  366.305   19.527 -9.778442 27.82458 
1 1 1  -21    3   15 o   68.757   20.029   61.536   36.487   63.717   38.798   44.844  107.332   70.050   20.725   82.290   33.417 -12.24074 39.32185 
1 1 1  -21    3   16 o  300.729   17.933  1153.51  134.060  1173.59  175.372  1125.29  207.939  301.098   23.510  292.198   28.875 8.899170 37.23605 
1 1 1  -21    3   17 o  168.466   11.289  358.587   47.218  333.530   64.910  386.750   68.814  161.390   16.331  173.982   16.019 -12.59259 22.87563 
1 1 1  -21    3   18 o  396.911   13.882  1990.63  137.589  1993.60  194.319  1987.64  194.842  394.835   19.708  393.701   19.883 1.133209 27.99521 
1 1 1  -21    3   19 o  249.085   11.614  781.623   72.243  720.773  101.119  845.062  103.249  237.362   17.176  257.454   16.141 -20.09189 23.56999 
1 1 1  -21    3   20 o  170.427   11.456  367.686   48.472  331.334   66.875  407.923   70.357  160.412   16.951  178.449   15.957 -18.03725 23.28021 
1 1 1  -21    3   21 o  156.332   11.751  310.136   45.538  309.939   62.568  310.358   66.405  155.117   16.401  154.908   17.472 0.2091675 23.96365 
1 1 1  -21    3   22 f  208.726   11.300  551.476   58.679  526.594   81.430  578.353   84.632  202.482   16.241  212.312   16.082 -9.830856 22.85645 
1 1 1  -21    3   23 o   68.298   21.352   60.678   40.435  170.208  133.208   49.561   42.438  111.369   38.907   63.915   21.981 47.45372 44.68723 
1 1 1  -21    3   24 o  158.350   18.469  328.035   71.659  308.852  157.225  333.064   80.507  142.374   41.607  158.622   20.828 -16.24808 46.52869 
1 1 1  -21    3   25 o  154.618   15.949  310.170   60.696  325.142  162.156  307.730   65.455  144.377   42.272  153.468   17.386 -9.091507 45.70749 
1 1 1  -21    3   26 o  180.495   15.015  421.058   67.063  536.007  176.073  401.552   72.530  187.844   38.819  175.513   16.752 12.33076 42.27966 
1 1 1  -21    3   27 o  109.868   18.360  161.419   48.596   39.465  155.663  174.588   51.152   87.813   38.152  114.275   18.562 -26.46220 42.42758 
1 1 1  -21    3   28 o  132.559   16.582  231.614   53.690  179.913  168.971  237.420   56.625  110.277   42.828  133.913   17.340 -23.63555 46.20558 
1 1 1  -21    3   29 o  106.821   17.978  153.399   46.253  228.459  171.710  147.527   48.028  117.880   43.772  104.236   19.157 13.64372 47.78077 
1 1 1  -21    3   30 o  110.246   39.506  194.123  138.064   0.0000   0.0000  194.123  138.064  ?   ?   110.246   39.506 0.000000 39.50621 
1 1 1  -21    3   31 o   76.119   34.281  -1.2969  137.176   0.0000   0.0000  -1.2969  137.176  ?   ?    76.119   34.281 0.000000 34.28116 
1 1 1  -21    3   32 f  150.441   42.411  403.008  166.190   0.0000   0.0000  403.008  166.190  ?   ?   150.441   42.411 0.000000 42.41055 
1 1 1  -21    3   33 o  260.830   38.274  1130.13  241.880   0.0000   0.0000  1130.13  241.880  ?   ?   260.830   38.274 0.000000 38.27412 
1 1 1  -21    3   34 o   92.189   38.303  126.843  145.285   0.0000   0.0000  126.843  145.285  ?   ?    92.189   38.303 0.000000 38.30278 
1 1 1  -21    4    1 o  202.418   11.231  516.461   56.547  528.525   76.787  502.166   83.585  203.991   15.183  198.371   17.039 5.620285 22.82166 
1 1 1  -21    4    2 o  163.180   11.546  336.370   46.745  347.521   63.015  322.725   69.706  165.133   15.461  158.518   17.924 6.614746 23.67113 
1 1 1  -21    4    3 o  150.421   11.517  286.038   42.931  298.745   57.919  270.545   63.956  153.032   15.363  144.948   18.061 8.083466 23.71159 
1 1 1  -21    4    4 o  514.698   16.984  3355.61  218.301  3424.94  307.302  3284.98  310.167  516.431   23.829  505.320   24.580 11.11026 34.23414 
1 1 1  -21    4    5 o  283.341   12.145  1009.78   85.931  1071.69  119.413  943.302  123.751  290.542   16.527  272.003   18.326 18.53912 24.67739 
1 1 1  -21    4    6 o  248.570   11.518  776.571   71.494  813.986   98.999  735.791  103.357  253.300   15.729  240.363   17.336 12.93626 23.40793 
1 1 1  -21    4    7 o  121.752   12.734  188.564   38.145  229.097   51.417  138.949   56.886  133.757   15.692  102.243   22.855 31.51359 27.72297 
1 1 1  -21    4    8 o  232.347   11.734  680.375   67.863  709.042   93.873  648.992   98.221  236.274   16.004  225.604   17.573 10.67041 23.76873 
1 1 1  -21    4    9 o   95.255   14.284  116.902   32.929   97.321   43.490  143.213   50.412   85.708   20.579  104.383   20.069 -18.67441 28.74473 
1 1 1  -21    4   10 o   84.588   14.954   92.943   30.433  104.656   39.866   76.582   47.114   89.198   18.504   76.755   22.868 12.44338 29.41687 
1 1 1  -21    4   11 o  298.692   12.594  1122.93   93.936  1146.14  130.984  1098.35  134.790  300.148   17.552  293.506   18.485 6.642395 25.49042 
1 1 1  -21    4   12 o  182.731   11.451  421.334   51.989  458.848   71.535  379.340   75.686  189.988   15.205  172.014   17.881 17.97464 23.47215 
1 1 1  -21    4   13 o  155.644   11.714  306.325   45.194  310.308   61.458  301.635   66.692  155.817   16.023  153.196   17.763 2.620941 23.92167 
1 1 1  -21    4   14 f  290.281   12.549  1060.96   90.963  1086.81  127.971  1034.56  129.321  292.109   17.626  284.763   18.283 7.346130 25.39541 
1 1 1  -21    4   15 o  236.551   16.131  711.791   94.718  654.989  117.098  819.292  161.091  225.401   21.047  250.290   26.160 -24.88913 33.57602 
1 1 1  -21    4   16 o  128.480   17.598  213.410   54.977  246.730   62.061   91.927  118.501  138.090   18.459   94.611   36.093 43.47923 40.53939 
1 1 1  -21    4   17 o  189.167   11.749  452.157   55.226  411.564   75.916  497.785   80.487  179.211   17.174  197.428   16.476 -18.21614 23.79924 
1 1 1  -21    4   18 o  295.942   12.985  1105.11   95.960  1150.54  135.305  1059.14  136.115  299.957   18.149  287.398   19.074 12.55988 26.32892 
1 1 1  -21    4   19 o  189.703   12.162  455.583   57.309  476.161   79.919  433.802   82.224  192.792   16.767  183.539   18.179 9.252487 24.73064 
1 1 1  -21    4   20 o  143.879   12.177  263.042   43.339  295.500   59.588  226.590   63.148  151.657   15.975  131.516   19.845 20.14093 25.47597 
1 1 1  -21    4   21 o  114.445   19.893  172.998   54.790   0.0000   0.0000  172.998   54.790  ?   ?   114.445   19.893 0.000000 19.89346 
1 1 1  -21    4   22 o   78.953   15.735   82.138   29.933   82.418   36.470   81.561   52.399   78.546   18.836   78.628   24.262 -0.8256531E-01 30.71565 
1 1 1  -21    4   23 o  256.730   11.632  833.372   74.572  711.830  103.784  963.097  107.221  234.681   17.843  274.157   15.727 -39.47525 23.78469 
1 1 1  -21    4   24 o  232.689   18.329  703.235  105.644  572.618  185.578  765.859  128.497  196.987   39.105  241.139   21.567 -44.15285 44.65815 
1 1 1  -21    4   25 o   83.139   20.707   93.889   42.829  235.943  140.466   79.329   44.971  125.150   39.884   76.626   22.211 48.52353 45.65179 
1 1 1  -21    4   26 o  156.425   16.408  318.883   63.137  356.191  162.320  312.232   68.534  150.262   41.757  154.053   18.164 -3.791092 45.53688 
1 1 1  -21    4   27 o  110.241   18.535  162.570   49.216  161.566  163.876  162.670   51.598  108.166   42.131  109.903   19.516 -1.737015 46.43102 
1 1 1  -21    4   28 o  118.331   16.980  185.512   48.738  344.785  169.226  171.105   50.895  143.738   43.457  112.886   18.710 30.85126 47.31303 
1 1 1  -21    4   29 o  131.786   17.018  230.071   54.696  120.177  174.075  242.109   57.614  100.346   41.829  135.022   17.499 -34.67554 45.34150 
1 1 1  -21    4   30 o   88.228   36.493   82.847  131.038   0.0000   0.0000   82.847  131.038  ?   ?    88.228   36.493 0.000000 36.49324 
1 1 1  -21    4   31 o  150.754   41.905  390.014  163.446   0.0000   0.0000  390.014  163.446  ?   ?   150.754   41.905 0.000000 41.90479 
1 1 1  -21    4   32 o  115.947   41.472  233.644  152.076   0.0000   0.0000  233.644  152.076  ?   ?   115.947   41.472 0.000000 41.47165 
1 1 1  -21    4   33 o  213.475   39.034  761.757  200.417   0.0000   0.0000  761.757  200.417  ?   ?   213.475   39.034 0.000000 39.03392 
1 1 1  -21    4   34 o   94.775   39.091  137.802  149.756   0.0000   0.0000  137.802  149.756  ?   ?    94.775   39.091 0.000000 39.09055 
1 1 1  -21    5    1 o  245.058   11.490  755.089   70.315  777.120   96.031  729.626  103.241  247.403   15.624  239.212   17.402 8.190750 23.38686 
1 1 1  -21    5    2 o  192.521   11.435  467.572   54.730  456.555   73.972  480.898   81.354  189.354   15.788  194.086   16.956 -4.732254 23.16795 
1 1 1  -21    5    3 o  395.300   14.198  1971.54  140.152  2100.60  196.120  1836.84  200.358  406.237   19.333  378.561   21.281 27.67523 28.75096 
1 1 1  -21    5    4 o  494.953   16.293  3100.70  201.381  3229.71  283.453  2969.22  286.159  502.013   22.611  480.653   23.841 21.36002 32.85793 
1 1 1  -21    5    5 o  462.982   15.546  2709.57  179.736  2826.26  252.540  2589.80  255.861  470.222   21.507  448.893   22.901 21.32834 31.41669 
1 1 1  -21    5    6 o  136.118   12.021  234.822   40.441  254.356   54.259  210.409   60.658  141.010   15.674  127.146   19.745 13.86465 25.20982 
1 1 1  -21    5    7 o  242.104   11.470  736.761   69.346  688.582   94.939  791.864  101.532  232.682   16.445  249.618   16.379 -16.93666 23.21033 
1 1 1  -21    5    8 o  140.092   12.675  249.022   43.862  258.878   59.565  237.345   64.830  141.948   17.152  135.192   19.789 6.756104 26.18779 
1 1 1  -21    5    9 o  274.871   12.318  950.676   84.552  1023.05  117.557  873.110  121.699  283.770   16.663  261.460   18.764 22.31061 25.09454 
1 1 1  -21    5   10 o  119.873   12.584  182.812   37.109  185.661   49.565  179.179   55.978  119.911   17.031  117.091   19.854 2.820732 26.15780 
1 1 1  -21    5   11 o  220.691   11.531  613.939   63.325  606.609   86.950  622.219   92.410  218.398   16.056  220.996   16.872 -2.598389 23.29074 
1 1 1  -21    5   12 o  136.623   12.527  236.898   42.264  255.234   56.778  214.112   63.293  141.070   16.425  128.063   20.482 13.00708 26.25418 
1 1 1  -21    5   13 o  191.001   11.817  460.607   56.086  463.910   77.236  456.921   81.578  190.726   16.375  188.999   17.483 1.727005 23.95419 
1 1 1  -21    5   14 f  251.962   16.234  807.214  101.603  718.898  126.396  968.493  170.806  236.032   21.687  272.720   25.371 -36.68808 33.37710 
1 1 1  -21    5   15 o  395.596   21.235  2008.59  209.012  2115.66  283.131  1880.37  309.849  401.797   28.401  375.320   33.409 26.47696 43.84959 
1 1 1  -21    5   16 o  166.662   15.287  354.328   62.914  415.378   71.655  148.894  131.443  180.366   16.077  109.247   38.611 71.11879 41.82451 
1 1 1  -21    5   17 o  287.903   12.602  1044.88   90.605  1025.57  126.249  1065.38  130.108  283.320   17.937  288.713   18.138 -5.393097 25.50959 
1 1 1  -21    5   18 o  405.542   14.285  2080.19  144.667  2038.73  203.027  2122.96  206.188  398.308   20.481  407.042   20.285 -8.734009 28.82638 
1 1 1  -21    5   19 f  190.727   11.477  459.866   54.408  434.431   75.295  487.659   78.709  184.125   16.553  195.235   16.293 -11.10971 23.22612 
1 1 1  -21    5   20 o  147.972   15.915  281.458   57.883  292.005  133.055  278.996   64.285  143.305   36.945  146.763   17.912 -3.457993 41.05838 
1 1 1  -21    5   21 o  102.522   16.898  137.474   41.753  120.147   43.847  306.012  136.749   95.146   19.118  146.024   37.351 -50.87778 41.95971 
1 1 1  -21    5   22 f  124.526   12.272  197.937   37.667  178.547   50.344  222.594   56.771  116.776   17.829  130.635   17.871 -13.85870 25.24410 
1 1 1  -21    5   23 o  105.244   12.826  142.400   33.012  120.404   43.381  172.665   50.885   95.071   18.938  114.487   18.423 -19.41589 26.42070 
1 1 1  -21    5   24 o  386.360   20.529  1949.19  197.356  2170.56  305.788  1791.14  258.373  396.827   31.107  362.811   28.753 34.01553 42.36046 
1 1 1  -21    5   25 o  228.136   12.060  662.264   68.459  643.579   95.408  682.093   98.288  222.700   17.291  229.302   17.292 -6.601166 24.45424 
1 1 1  -21    5   26 o   97.699   19.804  128.942   46.663  277.557  148.998  112.780   49.135  133.462   40.868   90.664   21.939 42.79742 46.38435 
1 1 1  -21    5   27 o  131.757   18.591  230.671   59.467   48.613  161.038  259.418   63.990   90.318   39.022  139.755   18.814 -49.43677 43.32031 
1 1 1  -21    5   28 o  116.056   18.969  180.872   53.074  171.296  162.715  182.013   56.145  108.872   42.099  115.946   20.121 -7.074692 46.66013 
1 1 1  -21    5   29 o  164.508   17.385  357.341   70.337  264.425  187.347  372.587   75.888  124.818   45.834  167.451   18.455 -42.63207 49.41026 
1 1 1  -21    5   30 o   73.126   21.059   73.711   40.545   0.0000   0.0000   73.711   40.545  ?   ?    73.126   21.059 0.000000 21.05950 
1 1 1  -21    5   31 o  122.203   42.181  255.857  156.344   0.0000   0.0000  255.857  156.344  ?   ?   122.203   42.181 0.000000 42.18135 
1 1 1  -21    5   32 o   82.501   36.142   42.557  142.225   0.0000   0.0000   42.557  142.225  ?   ?    82.501   36.142 0.000000 36.14214 
1 1 1  -21    5   33 o   82.060   36.563   34.797  151.570   0.0000   0.0000   34.797  151.570  ?   ?    82.060   36.563 0.000000 36.56338 
1 1 1  -21    5   34 o  126.976   43.338  310.834  164.891   0.0000   0.0000  310.834  164.891  ?   ?   126.976   43.338 0.000000 43.33767 
1 1 1  -21    5   35 o  156.850   45.222  493.278  186.863   0.0000   0.0000  493.278  186.863  ?   ?   156.850   45.222 0.000000 45.22212 
1 1 1  -21    6    1 o  182.256   11.667  419.550   52.820  409.913   71.106  431.415   78.900  179.225   16.058  183.559   17.421 -4.333618 23.69294 
1 1 1  -21    6    2 o  158.929   11.794  319.477   46.473  342.340   62.194  290.573   69.928  163.835   15.382  149.928   19.112 13.90775 24.53315 
1 1 1  -21    6    3 o  444.219   15.081  2494.08  167.297  2586.14  234.383  2398.47  238.869  449.858   20.864  432.047   22.215 17.81174 30.47660 
1 1 1  -21    6    4 o  473.676   15.633  2838.00  184.917  2932.87  259.220  2739.70  263.867  478.688   21.685  462.020   22.870 16.66727 31.51676 
1 1 1  -21    6    5 o  275.270   11.746  953.016   80.742  1038.93  111.553  858.481  117.017  286.192   15.668  259.349   18.183 26.84225 24.00257 
1 1 1  -21    6    6 o  304.101   12.144  1163.64   92.220  1175.69  127.953  1150.61  133.034  304.124   16.915  300.567   17.804 3.556763 24.55775 
1 1 1  -21    6    7 o  143.343   12.287  260.433   43.558  299.231   58.632  212.645   65.070  153.081   15.554  127.427   21.193 25.65335 26.28830 
1 1 1  -21    6    8 o  316.490   13.010  1261.76  102.819  1404.19  143.764  1112.62  147.110  332.299   17.385  294.765   20.106 37.53372 26.57976 
1 1 1  -21    6    9 o  269.958   11.833  916.628   79.768  955.341  111.050  875.361  114.654  274.243   16.289  262.088   17.621 12.15500 23.99603 
1 1 1  -21    6   10 o   92.536   14.972  110.836   33.416  128.037   43.704   86.628   51.847   98.878   18.376   81.315   23.930 17.56254 30.17150 
1 1 1  -21    6   11 o  280.344   11.284  987.945   78.996  973.788  109.223  1003.47  114.390  276.989   15.857  281.042   16.370 -4.053070 22.79059 
1 1 1  -21    6   12 o  150.752   12.478  288.040   46.552  324.030   63.322  245.713   68.673  159.199   16.152  137.295   20.671 21.90422 26.23294 
1 1 1  -21    6   13 o  326.131   19.585  1360.40  158.766  1515.12  210.665  1157.00  241.548  341.814   24.850  293.982   33.501 47.83209 41.71159 
1 1 1  -21    6   14 o  198.403   17.075  502.989   83.776  563.035  101.651  375.837  147.920  209.236   19.686  164.503   36.915 44.73335 41.83632 
1 1 1  -21    6   15 o  133.256   16.780  228.659   54.599  194.296   60.528  378.745  126.497  121.698   20.655  167.149   31.460 -45.45125 37.63503 
1 1 1  -21    6   16 o  298.321   12.770  1121.96   95.130  1164.23  132.506  1077.00  136.658  302.089   17.642  290.028   18.973 12.06064 25.90797 
1 1 1  -21    6   17 o  192.886   11.790  470.247   56.515  465.526   77.772  475.531   82.267  190.815   16.483  192.647   17.284 -1.832001 23.88416 
1 1 1  -21    6   18 o  447.358   15.659  2538.78  174.931  2505.28  246.178  2572.96  248.620  440.226   22.468  446.765   22.285 -6.538971 31.64550 
1 1 1  -21    6   19 o  190.187   11.807  457.706   55.796  488.724   77.303  423.973   80.616  195.500   15.974  181.399   18.036 14.10126 24.09248 
1 1 1  -21    6   20 o  357.967   15.460  1628.46  138.203  1579.48  226.433  1657.54  174.469  345.938   26.411  358.791   19.546 -12.85352 32.85735 
1 1 1  -21    6   21 o  161.893   11.747  332.551   47.168  297.661   63.861  374.432   69.967  151.722   17.157  170.529   16.642 -18.80757 23.90225 
1 1 1  -21    6   22 o  190.744   11.720  461.371   55.554  479.877   76.836  441.100   80.418  193.266   16.066  184.699   17.651 8.567047 23.86769 
1 1 1  -21    6   23 o  276.199   12.791  967.248   88.222  1018.60  123.740  914.155  125.816  280.966   17.727  265.417   19.111 15.54843 26.06650 
1 1 1  -21    6   24 o  274.924   18.785  982.157  128.194  888.701  211.017  1036.82  161.390  250.185   34.711  279.600   23.328 -29.41508 41.82141 
1 1 1  -21    6   25 o  120.044   13.532  185.825   39.857  196.321   52.208  171.161   61.709  122.142   17.627  112.054   22.828 10.08847 28.84150 
1 1 1  -21    6   26 o  183.201   12.045  428.346   54.796  472.085   76.453  382.144   78.576  190.740   16.205  170.359   18.782 20.38051 24.80664 
1 1 1  -21    6   27 o  149.021   16.408  290.417   60.047  279.983  161.476  292.091   64.686  131.901   42.838  148.896   17.747 -16.99579 46.36806 
1 1 1  -21    6   28 o  211.949   15.306  582.782   80.467  773.185  193.076  542.759   88.521  227.964   35.038  203.275   17.613 24.68892 39.21556 
1 1 1  -21    6   29 o   97.008   20.647  129.379   48.481 -120.0107  164.843  152.993   50.725   71.906   34.112  106.009   19.892 -34.10349 39.48815 
1 1 1  -21    6   30 o  160.054   17.180  338.755   67.590  267.486  187.771  349.364   72.447  124.302   45.849  162.014   18.223 -37.71194 49.33799 
1 1 1  -21    6   31 o   94.591   38.378  114.396  141.431   0.0000   0.0000  114.396  141.431  ?   ?    94.591   38.378 0.000000 38.37791 
1 1 1  -21    6   32 o  174.339   41.863  518.995  179.955   0.0000   0.0000  518.995  179.955  ?   ?   174.339   41.863 0.000000 41.86292 
1 1 1  -21    6   33 o   75.085   34.489 -20.9488  147.709   0.0000   0.0000 -20.9488  147.709  ?   ?    75.085   34.489 0.000000 34.48942 
1 1 1  -21    6   34 o  189.927   44.436  664.226  207.010   0.0000   0.0000  664.226  207.010  ?   ?   189.927   44.436 0.000000 44.43635 
1 1 1  -21    6   35 o  187.577   43.605  658.911  200.377   0.0000   0.0000  658.911  200.377  ?   ?   187.577   43.605 0.000000 43.60521 
1 1 1  -21    7    1 o  114.244   13.791  167.080   38.549  180.283   50.313  148.311   59.988  117.868   17.636  105.357   23.409 12.51018 29.30838 
1 1 1  -21    7    2 o  144.180   12.450  263.760   44.385  284.799   58.841  235.985   67.608  149.105   16.056  134.356   20.825 14.74968 26.29584 
1 1 1  -21    7    3 o  391.911   13.852  1938.56  135.569  1997.67  189.213  1876.19  194.338  395.918   19.138  382.656   20.411 13.26117 27.98001 
1 1 1  -21    7    4 o  394.154   13.941  1960.79  137.216  2010.21  191.445  1908.59  196.770  397.142   19.304  385.976   20.488 11.16583 28.14989 
1 1 1  -21    7    5 o  315.626   12.564  1254.68   99.026  1310.96  137.253  1193.57  143.014  320.988   17.185  305.660   18.828 15.32776 25.49188 
1 1 1  -21    7    6 o  243.405   11.793  745.374   71.682  817.078   98.426  664.388  104.602  253.664   15.614  227.828   18.547 25.83597 24.24431 
1 1 1  -21    7    7 o  258.738   11.068  841.456   71.514  830.553   98.540  853.588  103.947  255.793   15.500  259.152   16.142 -3.358505 22.37916 
1 1 1  -21    7    8 o  311.024   12.199  1217.60   94.746  1230.45  131.316  1203.66  136.837  311.055   16.970  307.323   17.908 3.731628 24.67109 
1 1 1  -21    7    9 o  190.284   11.936  457.339   56.431  512.019   77.328  395.046   82.536  200.608   15.558  175.148   19.184 25.45943 24.70003 
1 1 1  -21    7   10 o  251.761   11.908  797.533   74.864  838.395  103.788  753.214  108.089  256.785   16.270  242.855   17.950 13.92966 24.22632 
1 1 1  -21    7   11 o  221.564   17.421  626.813   95.611  702.578  118.437  485.060  162.002  233.691   20.503  188.009   35.814 45.68208 41.26699 
1 1 1  -21    7   12 o  267.414   17.636  912.054  117.111  936.076  148.425  872.432  190.624  269.270   22.273  256.331   30.371 12.93942 37.66264 
1 1 1  -21    7   13 o  204.193   16.216  531.506   82.007  484.749   97.055  648.201  153.327  193.788   20.360  221.302   28.400 -27.51311 34.94448 
1 1 1  -21    7   14 o  360.592   18.352  1659.12  164.704  1416.86  214.869  2004.26  256.466  329.395   26.342  392.083   26.347 -62.68808 37.25697 
1 1 1  -21    7   15 o  289.007   15.458  1060.57  111.154  1153.91  131.435  826.156  208.285  300.768   17.576  246.633   34.785 54.13498 38.97300 
1 1 1  -21    7   16 o  302.104   12.936  1151.28   97.588  1166.32  135.922  1135.27  140.199  302.094   18.101  297.701   18.957 4.393524 26.21130 
1 1 1  -21    7   17 o  208.739   11.835  550.638   61.439  529.679   83.948  574.813   90.161  203.518   16.664  211.907   17.186 -8.389236 23.93856 
1 1 1  -21    7   18 o  320.268   13.612  1296.71  108.862  1251.04  152.089  1344.70  155.890  311.940   19.624  323.560   19.383 -11.61935 27.58286 
1 1 1  -21    7   19 o  163.625   16.093  343.575   64.905  520.628  151.105  303.518   71.873  195.091   32.136  152.784   19.267 42.30698 37.46858 
1 1 1  -21    7   20 o  303.780   18.162  1185.25  137.148  1185.25  137.148   0.0000   0.0000  303.780   18.162  ?   ?  0.000000 18.16245 
1 1 1  -21    7   21 o  191.350   11.555  463.823   54.954  415.095   74.864  520.757   80.923  179.495   16.901  201.442   16.224 -21.94734 23.42817 
1 1 1  -21    7   22 o  198.513   12.017  500.105   59.292  465.431   81.825  538.442   86.038  189.779   17.462  204.399   17.011 -14.61922 24.37765 
1 1 1  -21    7   23 o  200.247   12.316  509.818   61.290  454.417   84.534  571.218   88.994  186.956   18.343  210.313   17.093 -23.35651 25.07252 
1 1 1  -21    7   24 o  153.885   17.748  309.032   66.950  399.435  144.913  284.500   75.489  165.481   36.085  146.205   21.302 19.27586 41.90344 
1 1 1  -21    7   25 f  164.197   13.095  345.286   53.248  365.398   69.823  317.330   82.319  167.576   16.917  153.900   22.050 13.67664 27.79153 
1 1 1  -21    7   26 o   91.392   13.593  108.846   30.078   90.758   38.588  136.848   48.013   81.846   19.210  100.708   19.798 -18.86197 27.58556 
1 1 1  -21    7   27 o  153.923   11.985  303.293   45.706  263.818   61.895  350.633   67.780  141.328   17.942  163.704   16.819 -22.37534 24.59296 
1 1 1  -21    7   28 o  223.705   16.240  651.910   90.104  370.685  194.202  729.056  101.714  146.368   46.923  235.927   17.387 -89.55884 50.04071 
1 1 1  -21    7   29 o  118.577   18.645  188.740   53.387  138.561  169.023  194.301   56.267  103.017   41.896  119.996   19.443 -16.97876 46.18769 
1 1 1  -21    7   30 f  214.418   17.160  605.209   91.110  364.609  206.156  663.609  101.568  140.808   48.446  223.779   18.336 -82.97084 51.80048 
1 1 1  -21    7   31 o   74.453   34.053 -28.7503  141.907   0.0000   0.0000 -28.7503  141.907  ?   ?    74.453   34.053 0.000000 34.05340 
1 1 1  -21    7   32 o   91.848   38.883   93.568  154.080   0.0000   0.0000   93.568  154.080  ?   ?    91.848   38.883 0.000000 38.88279 
1 1 1  -21    7   33 o   97.083   40.466  130.790  162.910   0.0000   0.0000  130.790  162.910  ?   ?    97.083   40.466 0.000000 40.46636 
1 1 1  -21    7   34 o  129.428   44.964  328.541  177.788   0.0000   0.0000  328.541  177.788  ?   ?   129.428   44.964 0.000000 44.96374 
1 1 1  -21    7   35 o  142.255   46.827  424.103  192.715   0.0000   0.0000  424.103  192.715  ?   ?   142.255   46.827 0.000000 46.82748 
1 1 1  -21    8    1 f  333.944   18.143  1425.06  150.727  1245.98  195.695  1686.22  236.331  308.679   25.619  358.785   26.566 -50.10623 36.90680 
1 1 1  -21    8    2 o  146.829   17.491  277.850   62.869  247.694   71.600  379.372  131.375  137.391   21.581  166.488   32.766 -29.09689 39.23452 
1 1 1  -21    8    3 o  385.975   20.265  1910.71  194.644  1819.67  259.629  2027.55  294.124  372.112   28.148  391.344   30.334 -19.23184 41.38205 
1 1 1  -21    8    4 o  137.848   17.600  245.262   59.202  231.085   66.558  298.974  129.554  132.913   20.730  146.611   35.716 -13.69791 41.29584 
1 1 1  -21    8    5 o  265.849   18.154  903.277  119.799  988.813  153.000  767.738  192.597  276.607   22.341  238.595   33.227 38.01122 40.03919 
1 1 1  -21    8    6 o  248.858   18.074  791.688  111.552  894.589  141.071  619.973  182.235  263.327   21.645  212.982   35.515 50.34511 41.59065 
1 1 1  -21    8    7 f  209.068   17.759  559.351   91.839  663.244  113.031  357.512  157.545  227.027   20.147  159.236   39.745 67.79057 44.55961 
1 1 1  -21    8    8 o  205.402   17.296  539.337   87.891  596.349  107.071  421.558  153.894  215.191   20.160  174.501   36.490 40.68947 41.68848 
1 1 1  -21    8    9 o  253.452   17.103  818.930  107.616  788.554  133.944  874.247  180.750  247.052   21.939  257.322   28.613 -10.27042 36.05632 
1 1 1  -21    8   10 o  126.808   17.609  208.005   54.256  163.421   59.747  417.624  129.552  110.981   22.332  176.099   30.569 -65.11834 37.85741 
1 1 1  -21    8   11 o  287.013   17.068  1049.27  121.781  921.849  153.020  1269.41  201.126  266.704   23.207  311.857   26.065 -45.15268 34.89934 
1 1 1  -21    8   12 o  211.507   17.252  571.785   90.325  618.138  109.651  473.937  159.314  219.029   20.278  185.527   35.683 33.50238 41.04215 
1 1 1  -21    8   13 o   94.158   18.970  116.894   43.063  112.749   45.944  146.865  123.555   92.158   20.494  107.727   37.480 -15.56850 42.71729 
1 1 1  -21    8   14 o  211.460   12.011  564.942   63.163  584.974   86.564  542.132   92.370  214.145   16.310  205.577   18.181 8.568710 24.42443 
1 1 1  -21    8   15 o  236.290   12.975  706.461   76.268  818.336  106.013  586.439  109.805  253.253   16.859  212.908   20.923 40.34534 26.87024 
1 1 1  -21    8   16 o  281.039   12.075  995.413   84.745  1023.09  117.558  965.468  122.276  283.260   16.693  274.704   17.923 8.556274 24.49288 
1 1 1  -21    8   17 o  138.066   12.815  242.620   43.680  267.954   58.703  211.195   65.380  144.272   16.596  126.526   21.459 17.74602 27.12834 
1 1 1  -21    8   18 o  307.769   13.518  1197.94  103.890  1212.25  144.466  1182.61  149.510  307.195   18.924  302.970   19.872 4.225616 27.44100 
1 1 1  -21    8   19 o  185.557   12.081  436.378   55.675  405.529   75.379  473.410   82.589  177.483   17.224  191.816   17.432 -14.33302 24.50629 
1 1 1  -21    8   20 o  182.596   12.252  423.095   55.540  441.575   76.045  401.968   81.310  185.341   16.607  176.057   18.784 9.283493 25.07261 
1 1 1  -21    8   21 o  263.246   12.849  877.433   84.465  812.608  116.871  948.318  122.211  250.720   18.804  271.255   18.147 -20.53511 26.13184 
1 1 1  -21    8   22 o  222.542   12.119  628.468   67.096  628.637   92.404  628.280   97.586  220.923   16.877  220.451   17.881 0.4719696 24.58763 
1 1 1  -21    8   23 o   81.131   15.748   86.894   30.755   79.442   39.833   97.894   48.396   76.829   20.414   84.921   22.472 -8.091217 30.35994 
1 1 1  -21    8   24 o  315.780   19.496  1300.17  152.990  1223.91  239.451  1352.78  198.875  295.044   33.069  317.630   25.282 -22.58643 41.62612 
1 1 1  -21    8   25 o  300.391   14.519  1154.44  108.915  1100.66  137.884  1243.67  177.610  290.207   19.134  305.187   23.485 -14.97910 30.29293 
1 1 1  -21    8   26 o  167.210   11.755  356.867   48.772  328.601   66.502  389.763   71.744  158.510   17.070  172.871   16.833 -14.36078 23.97351 
1 1 1  -21    8   27 o  125.544   12.199  202.571   37.761  184.189   50.093  226.765   57.469  117.874   17.553  130.805   18.077 -12.93072 25.19722 
1 1 1  -21    8   28 o  166.743   12.209  356.516   50.482  347.661   69.316  366.517   73.666  162.512   17.349  166.585   17.994 -4.072540 24.99538 
1 1 1  -21    8   29 o  225.715   16.092  664.776   90.109  711.266  200.930  653.073  100.816  213.063   39.209  222.305   18.324 -9.241486 43.27980 
1 1 1  -21    8   30 o  183.392   16.793  442.604   76.052  531.780  194.997  426.606   82.593  176.861   44.258  178.903   18.767 -2.042709 48.07270 
1 1 1  -21    8   31 o   83.994   22.495   99.264   48.126   0.0000   0.0000   99.264   48.126  ?   ?    83.994   22.495 0.000000 22.49452 
1 1 1  -21    8   32 o  132.464   43.955  315.907  169.676   0.0000   0.0000  315.907  169.676  ?   ?   132.464   43.955 0.000000 43.95545 
1 1 1  -21    8   33 o   92.069   39.273   98.294  159.253   0.0000   0.0000   98.294  159.253  ?   ?    92.069   39.273 0.000000 39.27267 
1 1 1  -21    8   34 o  106.363   42.586  197.412  171.665   0.0000   0.0000  197.412  171.665  ?   ?   106.363   42.586 0.000000 42.58623 
1 1 1  -21    8   35 o  136.230   46.333  386.522  188.466   0.0000   0.0000  386.522  188.466  ?   ?   136.230   46.333 0.000000 46.33310 
1 1 1  -21    9    1 o   76.182   17.888   76.926   33.449   84.883   42.975   64.699   53.275   79.824   21.201   72.671   24.635 7.152924 32.50159 
1 1 1  -21    9    2 o  139.450   13.254  247.759   45.601  219.455   59.810  287.055   70.473  129.760   19.023  148.610   19.457 -18.85062 27.21122 
1 1 1  -21    9    3 o  339.135   13.105  1451.95  110.988  1406.85  153.185  1501.79  161.030  331.514   18.579  342.400   18.906 -10.88571 26.50704 
1 1 1  -21    9    4 o  233.951   12.049  691.435   70.155  666.214   94.127  722.956  105.228  228.436   16.614  237.613   17.865 -9.177322 24.39651 
1 1 1  -21    9    5 o  362.135   15.577  1662.10  140.863  1588.93  166.412  1847.06  264.564  352.331   18.984  374.357   28.515 -22.02579 34.25631 
1 1 1  -21    9    6 o  407.641   20.000  2125.70  203.590  1857.54  270.704  2474.86  308.902  375.119   29.127  433.594   28.691 -58.47461 40.88470 
1 1 1  -21    9    7 o  277.775   18.103  986.474  124.885  1017.99  159.251  936.143  201.264  280.237   22.958  264.700   31.037 15.53699 38.60555 
1 1 1  -21    9    8 o  233.099   16.562  692.948   95.777  605.098  115.068  891.074  172.804  216.130   21.610  260.276   26.979 -44.14607 34.56644 
1 1 1  -21    9    9 o  203.399   16.401  528.155   82.596  465.270   96.889  695.377  157.997  189.531   20.814  229.092   28.214 -39.56053 35.06072 
1 1 1  -21    9   10 o  362.720   15.484  1666.53  140.253  1660.20  166.602  1681.92  259.866  360.458   18.572  356.781   29.430 3.676849 34.79985 
1 1 1  -21    9   11 o  170.774   12.571  369.563   53.231  469.812   71.760  246.904   79.376  192.087   15.081  136.388   24.192 55.69901 28.50758 
1 1 1  -21    9   12 o  164.474   11.982  342.501   48.873  370.121   65.298  307.320   73.694  170.239   15.531  153.926   19.618 16.31323 25.02159 
1 1 1  -21    9   13 o  132.779   12.913  224.452   42.274  257.166   56.442  182.648   63.802  141.465   16.274  117.268   22.607 24.19762 27.85515 
1 1 1  -21    9   14 o  123.871   13.218  195.837   40.256  202.468   53.176  186.935   61.612  124.982   17.519  118.927   21.539 6.054871 27.76431 
1 1 1  -21    9   15 o  187.620   12.180  445.604   56.759  465.602   77.328  422.243   83.575  190.768   16.391  180.915   18.772 9.853394 24.92151 
1 1 1  -21    9   16 o  245.314   12.348  761.016   75.400  827.672  104.310  688.076  109.116  254.623   16.494  231.189   19.071 23.43384 25.21364 
1 1 1  -21    9   17 o  132.964   12.126  224.829   39.821  176.445   52.140  292.548   61.685  116.117   18.610  150.730   16.667 -34.61321 24.98260 
1 1 1  -21    9   18 o  380.950   21.960  1882.51  208.025   0.0000   0.0000  1882.51  208.025  ?   ?   380.950   21.960 0.000000 21.96041 
1 1 1  -21    9   19 o  284.412   13.484  1024.42   95.765  1006.84  119.468  1056.02  160.176  280.259   17.153  284.297   22.753 -4.038300 28.49387 
1 1 1  -21    9   20 o   79.259   15.865   82.783   30.306   39.858   37.887  159.046   50.499   58.787   20.734  109.752   19.121 -50.96489 28.20476 
1 1 1  -21    9   21 o  137.184   12.738  240.316   43.138  239.174   57.502  241.786   65.239  135.579   17.385  135.521   19.867 0.5717468E-01 26.39956 
1 1 1  -21    9   22 o  361.017   13.501  1655.61  121.719  1576.08  169.997  1739.28  174.359  348.460   19.616  366.449   19.120 -17.98895 27.39268 
1 1 1  -21    9   23 o  118.937   13.234  181.884   38.640  148.182   50.508  229.447   60.001  105.258   19.946  132.044   18.721 -26.78603 27.35502 
1 1 1  -21    9   24 o  303.985   18.448  1201.17  139.380  1368.61  225.736  1098.01  177.191  315.769   28.950  285.881   25.073 29.88831 38.29830 
1 1 1  -21    9   25 o  235.914   12.328  709.409   72.374  659.732   99.325  765.640  105.674  224.988   17.824  242.612   17.561 -17.62376 25.02211 
1 1 1  -21    9   26 o  101.294   14.001  133.637   34.469  177.567   45.903   76.840   52.194  116.274   16.254   75.806   24.328 40.46720 29.25841 
1 1 1  -21    9   27 o   95.392   14.304  119.190   33.024  140.781   43.473   89.732   50.779  102.734   17.577   80.668   23.665 22.06651 29.47900 
1 1 1  -21    9   28 o  159.289   12.376  325.826   48.843  332.598   66.741  318.017   71.670  159.008   17.076  154.548   18.969 4.460571 25.52255 
1 1 1  -21    9   29 o  122.179   13.103  193.418   39.355  203.475   52.941  180.996   58.838  123.605   17.653  114.877   21.294 8.728035 27.66021 
1 1 1  -21    9   30 o  130.777   19.196  230.412   60.822  278.269  187.461  224.782   64.301  126.303   45.929  128.370   20.768 -2.067070 50.40579 
1 1 1  -21    9   31 o  179.933   18.693  432.823   82.765   0.0000   0.0000  432.823   82.765  ?   ?   179.933   18.693 0.000000 18.69254 
1 1 1  -21    9   32 o  110.426   42.392  202.217  164.117   0.0000   0.0000  202.217  164.117  ?   ?   110.426   42.392 0.000000 42.39241 
1 1 1  -21    9   33 o   79.167   36.159  -5.4541  159.277   0.0000   0.0000  -5.4541  159.277  ?   ?    79.167   36.159 0.000000 36.15871 
1 1 1  -21    9   34 o  170.956   47.715  574.202  211.456   0.0000   0.0000  574.202  211.456  ?   ?   170.956   47.715 0.000000 47.71450 
1 1 1  -21    9   35 o   95.746   41.120  136.630  176.746   0.0000   0.0000  136.630  176.746  ?   ?    95.746   41.120 0.000000 41.12043 
1 1 1  -21   10    1 o  225.274   11.786  641.972   66.072  623.781   88.238  665.190   99.684  220.809   16.114  227.508   17.685 -6.698959 23.92525 
1 1 1  -21   10    2 o  122.310   13.503  191.466   40.554  143.423   52.354  263.535   64.123  103.813   20.918  142.429   18.463 -38.61598 27.90096 
1 1 1  -21   10    3 o  352.112   12.795  1565.93  112.504  1560.13  155.122  1572.36  163.411  349.153   17.851  350.080   18.761 -0.9271240 25.89630 
1 1 1  -21   10    4 o  257.160   12.033  833.937   77.275  843.309  104.908  822.819  114.258  257.015   16.431  253.236   18.189 3.779587 24.51196 
1 1 1  -21   10    5 o  244.880   11.887  755.863   72.692  768.493   98.050  740.450  108.318  245.461   16.085  240.216   18.192 5.244751 24.28335 
1 1 1  -21   10    6 o  264.851   12.293  884.610   81.306  886.940  111.102  881.922  119.303  263.504   16.975  262.267   18.331 1.237610 24.98358 
1 1 1  -21   10    7 o  531.625   17.163  3596.91  227.846  3585.73  319.448  3608.48  325.071  525.800   24.329  527.169   24.693 -1.368958 34.66504 
1 1 1  -21   10    8 o  304.531   12.112  1168.97   92.105  1221.61  126.629  1109.84  134.215  309.673   16.434  294.405   18.347 15.26849 24.63103 
1 1 1  -21   10    9 o  405.438   13.873  2078.00  140.458  2024.04  194.775  2136.48  202.740  397.704   19.612  408.466   19.876 -10.76294 27.92299 
1 1 1  -21   10   10 o  188.115   11.693  447.424   54.655  463.618   73.665  427.593   81.518  190.588   15.615  182.280   18.150 8.308823 23.94278 
1 1 1  -21   10   11 o  114.919   13.755  169.210   38.690  221.614   50.990   98.093   59.400  131.245   15.881   86.095   25.683 45.15078 30.19646 
1 1 1  -21   10   12 o  135.109   12.486  232.158   41.652  215.930   55.057  253.874   63.691  129.102   17.531  139.843   18.707 -10.74117 25.63769 
1 1 1  -21   10   13 f  141.776   13.014  255.866   45.561  284.180   61.024  220.204   68.487  148.596   16.737  129.091   22.036 19.50504 27.67150 
1 1 1  -21   10   14 o  285.457   12.108  1027.59   86.312  1065.70  119.174  985.534  125.173  289.007   16.582  277.289   18.178 11.71823 24.60489 
1 1 1  -21   10   15 o  203.709   11.958  525.068   60.565  579.333   82.915  462.994   88.680  213.025   15.697  189.305   19.016 23.72025 24.65809 
1 1 1  -21   10   16 f  135.288   12.977  233.359   43.302  203.214   57.210  273.795   66.259  124.652   18.978  145.144   18.717 -20.49211 26.65512 
1 1 1  -21   10   17 o  251.306   15.379  805.466   96.045  879.569  176.751  774.418  114.410  256.654   28.034  245.115   18.836 11.53893 33.77395 
1 1 1  -21   10   18 o  167.507   16.541  361.148   68.289  361.148   68.289   0.0000   0.0000  167.507   16.541  ?   ?  0.000000 16.54149 
1 1 1  -21   10   19 o  262.149   11.778  867.971   77.103  778.547  105.653  969.857  112.775  246.097   17.302  275.146   16.489 -29.04906 23.90110 
1 1 1  -21   10   20 o  105.401   13.852  143.337   35.577  112.888   45.925  189.036   56.262   91.696   20.563  119.670   19.498 -27.97448 28.33794 
1 1 1  -21   10   21 o  342.921   12.901  1491.16  110.473  1511.32  154.176  1469.88  158.374  342.265   18.103  337.045   18.893 5.220123 26.16594 
1 1 1  -21   10   22 o  161.892   12.662  334.409   50.783  333.586   68.394  335.420   75.813  160.202   17.375  159.895   19.383 0.3064270 26.03040 
1 1 1  -21   10   23 o  116.486   20.423  181.451   57.241  271.273  128.760  159.327   63.904  135.286   37.032  107.676   24.338 27.61015 44.31398 
1 1 1  -21   10   24 o   94.229   22.653  121.741   52.645   52.520  124.858  136.708   58.058   85.000   35.428   99.618   23.685 -14.61832 42.61618 
1 1 1  -21   10   25 o  210.131   11.793  562.508   61.630  530.002   84.476  599.498   90.114  201.838   16.916  214.727   16.943 -12.88881 23.94225 
1 1 1  -21   10   26 o  138.558   12.418  246.465   42.511  243.396   56.964  250.322   63.864  136.035   17.150  137.147   19.172 -1.112167 25.72297 
1 1 1  -21   10   27 o  179.025   12.642  411.168   56.156  449.387   77.606  369.164   81.359  185.276   16.962  166.296   19.992 18.97980 26.21821 
1 1 1  -21   10   28 o   55.569   17.005   40.567   25.801   16.989   32.038   84.073   43.520   46.549   18.476   78.058   21.597 -31.50929 28.42144 
1 1 1  -21   10   29 o   88.529   14.971  103.825   31.918  107.745   41.616   98.226   49.740   88.760   19.324   83.783   23.051 4.976379 30.07878 
1 1 1  -21   10   30 o   75.338   16.741   76.841   30.678   78.873   38.701   73.404   50.323   75.592   20.139   73.498   23.916 2.093872 31.26637 
1 1 1  -21   10   31 o  183.169   19.617  451.561   88.336   0.0000   0.0000  451.561   88.336  ?   ?   183.169   19.617 0.000000 19.61744 
1 1 1  -21   10   32 o  109.466   42.415  197.605  165.430   0.0000   0.0000  197.605  165.430  ?   ?   109.466   42.415 0.000000 42.41520 
1 1 1  -21   10   33 o  112.400   44.068  224.182  180.195   0.0000   0.0000  224.182  180.195  ?   ?   112.400   44.068 0.000000 44.06764 
1 1 1  -21   10   34 o  177.818   46.465  603.840  208.609   0.0000   0.0000  603.840  208.609  ?   ?   177.818   46.465 0.000000 46.46486 
1 1 1  -21   10   35 o   92.043   41.173   95.705  194.228   0.0000   0.0000   95.705  194.228  ?   ?    92.043   41.173 0.000000 41.17297 
1 1 1  -21   11    1 o   79.474   17.937   84.081   34.752   96.479   44.528   64.762   55.585   84.690   21.125   72.802   25.150 11.88817 32.84509 
1 1 1  -21   11    2 o  122.332   13.461  191.793   40.442  166.626   51.847  230.898   64.628  112.419   19.155  132.449   20.177 -20.03087 27.82184 
1 1 1  -21   11    3 o  249.697   11.835  787.058   73.793  713.916   99.205  877.654  110.409  235.899   16.954  261.657   16.989 -25.75862 24.00145 
1 1 1  -21   11    4 o  171.958   12.037  375.042   51.362  371.688   67.829  379.551   78.637  170.130   16.159  171.150   18.704 -1.019272 24.71764 
1 1 1  -21   11    5 o  134.681   13.169  231.497   43.725  247.380   56.956  208.701   68.233  138.356   16.832  125.193   22.660 13.16333 28.22706 
1 1 1  -21   11    6 o  194.618   11.999  479.632   58.031  459.737   77.066  505.685   88.190  189.355   16.462  198.160   18.019 -8.805359 24.40629 
1 1 1  -21   11    7 o  423.486   14.675  2273.81  155.195  2216.62  215.438  2335.50  223.757  414.435   20.884  425.787   21.044 -11.35181 29.64796 
1 1 1  -21   11    8 o  267.917   11.882  905.207   79.495  880.857  108.076  933.910  117.339  262.574   16.568  270.046   17.494 -7.472229 24.09428 
1 1 1  -21   11    9 o  182.352   12.001  421.155   54.343  446.014   72.728  389.732   81.768  186.748   15.742  173.460   19.199 13.28844 24.82782 
1 1 1  -21   11   10 o  192.857   11.605  470.446   55.630  435.521   74.226  515.203   84.026  184.372   16.289  200.445   16.946 -16.07256 23.50521 
1 1 1  -21   11   11 o  176.031   12.095  392.679   52.846  407.979   70.724  373.338   79.519  178.467   16.041  169.763   19.088 8.704224 24.93329 
1 1 1  -21   11   12 o  254.393   12.039  816.386   76.477  830.474  104.330  800.026  112.433  254.945   16.476  249.596   18.163 5.348511 24.52249 
1 1 1  -21   11   13 f  222.021   11.900  623.502   65.736  685.292   90.140  553.309   96.073  231.725   15.669  207.100   18.781 24.62465 24.45929 
1 1 1  -21   11   14 o  416.156   14.328  2195.20  148.896  2187.47  206.638  2203.55  214.736  412.471   20.062  413.011   20.888 -0.5399170 28.96199 
1 1 1  -21   11   15 o   92.721   15.498  112.081   34.618   99.615   44.669  130.828   54.777   86.233   20.950   98.594   22.716 -12.36167 30.90191 
1 1 1  -21   11   16 o  125.425   13.039  201.091   40.242  198.507   52.689  204.708   62.343  123.457   17.588  124.443   20.796 -0.9860916 27.23570 
1 1 1  -21   11   17 o  202.488   13.232  521.343   66.540  474.414   98.487  560.753   90.254  190.489   21.056  208.667   17.482 -18.17734 27.36746 
1 1 1  -21   11   18 o  192.742   11.695  470.891   56.023  445.124   75.307  502.824   83.835  186.036   16.377  197.533   17.166 -11.49623 23.72517 
1 1 1  -21   11   19 o  198.370   11.780  499.076   58.092  470.940   78.321  533.485   86.613  191.226   16.565  203.371   17.216 -12.14505 23.89137 
1 1 1  -21   11   20 o  288.580   12.425  1054.86   89.538  1059.16  123.719  1050.14  129.746  286.747   17.360  285.022   18.326 1.725739 25.24300 
1 1 1  -21   11   21 o  131.792   12.916  222.457   41.961  211.111   55.227  237.951   64.539  126.894   17.928  134.173   19.863 -7.278351 26.75666 
1 1 1  -21   11   22 o  189.134   17.669  464.943   82.487  483.823  148.002  456.435   99.347  184.343   33.380  185.487   21.868 -1.143845 39.90530 
1 1 1  -21   11   23 o  216.966   17.632  611.927   94.707  719.068  170.233  563.901  113.974  226.701   30.873  205.676   22.561 21.02562 38.23835 
1 1 1  -21   11   24 o  167.605   18.419  368.908   75.820  266.432  143.466  408.622   89.311  131.574   40.065  175.346   20.802 -43.77231 45.14350 
1 1 1  -21   11   25 o  142.991   12.776  262.609   45.140  244.437   60.264  285.837   68.133  135.990   18.203  146.860   19.025 -10.87039 26.33064 
1 1 1  -21   11   26 o  155.048   12.374  308.312   47.511  280.891   63.822  342.396   71.156  145.859   17.898  161.179   17.986 -15.31955 25.37330 
1 1 1  -21   11   27 o  231.908   12.289  688.145   70.915  640.864   97.507  741.232  103.322  220.852   17.832  237.804   17.522 -16.95168 25.00043 
1 1 1  -21   11   28 o  148.363   12.525  283.341   45.970  272.754   61.910  296.350   68.630  143.468   17.653  149.036   18.863 -5.567764 25.83460 
1 1 1  -21   11   29 o  120.668   13.281  189.042   39.358  166.097   50.844  223.349   62.171  110.817   19.060  128.402   20.044 -17.58555 27.66004 
1 1 1  -21   11   30 o  138.436   12.951  248.075   44.250  248.616   59.188  247.390   66.630  136.520   17.784  134.857   20.425 1.662811 27.08191 
1 1 1  -21   11   31 o  241.943   14.241  760.011   85.660  804.067  128.822  725.091  114.689  243.149   21.435  232.067   19.985 11.08118 29.30697 
1 1 1  -21   11   32 o   90.695   39.589   73.391  169.285   0.0000   0.0000   73.391  169.285  ?   ?    90.695   39.589 0.000000 39.58891 
1 1 1  -21   11   33 f  230.221   43.264  923.038  239.594   0.0000   0.0000  923.038  239.594  ?   ?   230.221   43.264 0.000000 43.26372 
1 1 1  -21   11   34 o   79.587   36.839 -13.3265  173.204   0.0000   0.0000 -13.3265  173.204  ?   ?    79.587   36.839 0.000000 36.83897 
1 1 1  -21   12    1 o   72.046   18.914   69.487   34.463   58.767   43.454   87.661   56.579   67.898   22.230   81.101   25.242 -13.20224 33.63549 
1 1 1  -21   12    2 o  231.916   11.984  682.280   69.164  691.278   93.146  671.221  103.261  231.961   16.182  227.660   18.319 4.300797 24.44217 
1 1 1  -21   12    3 o  135.779   12.989  235.690   43.504  204.811   56.097  282.282   68.907  124.943   18.542  146.821   19.259 -21.87766 26.73400 
1 1 1  -21   12    4 o  186.279   11.663  439.997   53.980  433.185   71.189  449.212   82.798  183.702   15.668  186.289   18.024 -2.586990 23.88199 
1 1 1  -21   12    5 o  160.605   12.364  328.030   49.205  298.169   64.486  369.644   76.126  151.729   17.331  168.788   18.357 -17.05925 25.24517 
1 1 1  -21   12    6 o  332.527   13.123  1400.03  108.972  1450.50  150.558  1344.50  157.926  335.974   18.011  322.532   19.702 13.44254 26.69398 
1 1 1  -21   12    7 o  191.488   11.850  464.681   56.387  456.165   74.605  476.026   86.114  188.584   15.993  191.944   18.183 -3.359207 24.21519 
1 1 1  -21   12    8 o  207.527   11.850  545.401   61.154  558.260   81.497  528.829   92.516  208.861   15.741  202.307   18.518 6.554794 24.30464 
1 1 1  -21   12    9 o  341.043   12.894  1471.11  109.812  1399.88  150.191  1552.93  160.964  330.082   18.293  347.534   18.615 -17.45267 26.09848 
1 1 1  -21   12   10 o  371.551   13.047  1746.55  121.057  1655.55  166.751  1847.96  176.026  358.843   18.673  379.646   18.567 -20.80286 26.33299 
1 1 1  -21   12   11 o  222.110   11.925  624.532   65.902  633.697   89.004  613.410   98.051  222.488   16.129  218.162   18.163 4.326050 24.29088 
1 1 1  -21   12   12 o  218.199   11.820  602.695   64.164  649.038   86.752  546.724   95.337  225.370   15.509  205.641   18.772 19.72850 24.35011 
1 1 1  -21   12   13 o  161.053   12.063  329.382   48.164  340.494   64.139  315.013   72.933  162.755   15.987  155.507   19.188 7.248245 24.97559 
1 1 1  -21   12   14 o  385.867   13.073  1884.83  125.966  1849.53  174.076  1923.64  182.509  379.724   18.358  386.955   18.887 -7.231781 26.33898 
1 1 1  -21   12   15 o  148.060   12.362  279.034   45.288  277.865   59.911  280.592   69.179  146.624   16.658  146.492   19.387 0.1314697 25.56072 
1 1 1  -21   12   16 o   88.507   24.323  106.066   55.420   0.0000   0.0000  106.066   55.420  ?   ?    88.507   24.323 0.000000 24.32343 
1 1 1  -21   12   17 f  293.770   17.011  1108.45  124.260  1108.45  124.260   0.0000   0.0000  293.770   17.011  ?   ?  0.000000 17.01123 
1 1 1  -21   12   18 o  248.687   11.561  781.663   71.797  755.007   97.859  812.739  105.662  242.477   16.255  251.322   16.935 -8.845901 23.47381 
1 1 1  -21   12   19 o  149.981   12.487  286.933   46.343  303.332   61.738  265.766   70.142  153.097   16.404  141.826   20.391 11.27054 26.17039 
1 1 1  -21   12   20 o  222.717   11.956  629.975   66.249  636.136   90.435  622.840   97.325  222.165   16.417  219.161   17.940 3.003357 24.31837 
1 1 1  -21   12   21 o  283.492   18.225  1042.65  128.339  1083.93  203.368  1015.34  165.442  280.893   29.430  275.802   24.269 5.091156 38.14557 
1 1 1  -21   12   22 o  154.256   18.594  312.514   70.180  298.106  136.478  317.693   81.827  140.878   37.945  154.143   21.871 -13.26431 43.79707 
1 1 1  -21   12   23 o  198.417   17.150  512.216   84.141  684.721  155.633  440.971  100.018  222.178   28.724  181.346   22.575 40.83186 36.53310 
1 1 1  -21   12   24 o  177.443   12.362  402.604   54.433  391.888   73.486  415.633   81.026  173.163   17.222  177.772   18.524 -4.608185 25.29337 
1 1 1  -21   12   25 o  172.631   12.691  382.114   54.325  367.906   73.339  399.388   80.866  167.271   17.833  173.805   18.938 -6.534225 26.01267 
1 1 1  -21   12   26 o  160.978   12.631  332.840   50.369  320.733   67.705  347.847   75.377  155.947   17.699  161.837   19.014 -5.889908 25.97647 
1 1 1  -21   12   27 o  257.737   12.572  849.247   80.916  872.505  111.772  823.636  117.293  257.961   17.454  249.536   18.965 8.424896 25.77403 
1 1 1  -21   12   28 o  240.174   12.778  740.798   76.362  743.388  105.788  737.980  110.340  237.418   17.976  235.902   18.889 1.516556 26.07571 
1 1 1  -21   12   29 f   72.330   16.894   70.947   29.962   74.755   37.151   63.860   50.677   73.719   19.773   69.920   24.022 3.798988 31.11293 
1 1 1  -21   12   30 o   90.482   15.356  108.985   33.457  111.610   42.343  104.621   54.585   90.127   19.389   85.813   24.346 4.314880 31.12320 
1 1 1  -21   12   31 o   93.453   15.944  116.882   35.873  150.452   46.575   67.924   56.246  105.268   18.387   71.831   25.271 33.43702 31.25233 
1 1 1  -21   12   32 o   98.703   19.671  134.633   46.784  145.680   48.490 -14.1149  177.935  102.799   19.605   81.961   37.724 20.83811 42.51387 
1 1 1  -21   12   33 o  154.216   48.138  473.587  205.603   0.0000   0.0000  473.587  205.603  ?   ?   154.216   48.138 0.000000 48.13788 
1 1 1  -21   12   34 o   80.455   37.276  -9.7398  177.962   0.0000   0.0000  -9.7398  177.962  ?   ?    80.455   37.276 0.000000 37.27623 
1 1 1  -21   13    1 o  185.387   16.494  445.384   75.560  572.215  115.310  349.941  100.029  207.164   22.659  159.884   25.943 47.27983 34.44496 
1 1 1  -21   13    2 o  281.775   17.243  1026.34  120.747  1136.88  176.803  929.715  165.301  291.686   24.500  262.899   25.499 28.78745 35.36196 
1 1 1  -21   13    3 o  144.916   18.040  274.653   63.871  319.147  101.097  245.097   82.398  152.177   27.621  133.829   25.588 18.34712 37.65178 
1 1 1  -21   13    4 o  122.572   14.813  194.221   44.421  178.562   55.382  222.468   74.381  115.913   19.847  128.066   24.144 -12.15252 31.25406 
1 1 1  -21   13    5 o  329.207   12.756  1374.18  104.866  1384.06  143.254  1362.78  153.927  327.725   17.568  324.279   19.093 3.445404 25.94562 
1 1 1  -21   13    6 o  124.041   13.599  197.607   41.432  210.357   53.425  178.370   65.625  126.982   17.298  114.701   23.695 12.28057 29.33772 
1 1 1  -21   13    7 o  292.863   12.433  1085.90   90.923  1075.82  123.699  1097.75  134.099  289.211   17.206  291.484   18.519 -2.273071 25.27820 
1 1 1  -21   13    8 o  164.792   12.198  345.361   49.840  295.839   65.374  414.092   77.017  150.901   17.684  178.920   17.460 -28.01973 24.85106 
1 1 1  -21   13    9 o  206.047   12.325  539.012   63.128  514.855   84.373  569.732   95.147  199.847   17.070  209.801   18.345 -9.953766 25.05891 
1 1 1  -21   13   10 o  352.419   13.307  1574.73  117.110  1535.20  160.719  1619.47  170.996  344.943   18.728  353.879   19.424 -8.936462 26.98248 
1 1 1  -21   13   11 o  252.978   12.158  809.370   76.806  831.449  104.280  783.189  113.553  254.555   16.493  246.123   18.613 8.432358 24.86921 
1 1 1  -21   13   12 o  220.749   12.114  618.032   66.523  648.807   89.729  580.474   99.126  224.886   16.084  211.544   18.966 13.34277 24.86775 
1 1 1  -21   13   13 o  105.210   14.462  143.232   36.992  125.358   47.451  170.928   59.066   96.783   20.282  112.968   21.727 -16.18506 29.72239 
1 1 1  -21   13   14 o  133.217   13.118  227.066   43.072  223.690   56.443  231.773   66.647  130.934   17.718  132.270   20.870 -1.335800 27.37632 
1 1 1  -21   13   15 o  144.584   17.007  271.265   60.230  236.593  117.402  283.651   70.168  128.216   35.471  147.010   19.602 -18.79451 40.52666 
1 1 1  -21   13   16 o   80.708   20.462   87.687   41.296   87.771   42.817   86.566  156.322   80.704   21.032   98.285   40.167 -17.58035 45.34068 
1 1 1  -21   13   17 o  246.295   11.617  767.288   71.448  721.571   96.491  822.779  106.306  236.810   16.418  252.702   16.944 -15.89197 23.59370 
1 1 1  -21   13   18 o  198.891   11.966  502.718   59.155  453.457   79.150  565.049   89.034  187.131   17.128  209.011   17.211 -21.88000 24.28134 
1 1 1  -21   13   19 o   93.559   15.706  114.898   35.394   92.071   45.134  151.360   57.042   82.387   21.653  105.610   22.327 -23.22334 31.10265 
1 1 1  -21   13   20 o  174.978   17.648  398.801   76.060  486.350  140.310  362.367   90.513  185.897   31.340  164.561   22.624 21.33604 38.65265 
1 1 1  -21   13   21 o  300.784   17.816  1174.26  133.221  1519.62  217.688  967.472  168.449  335.139   26.220  267.625   25.514 67.51422 36.58513 
1 1 1  -21   13   22 o  105.219   22.247  151.261   56.628  129.245  127.063  156.718   63.257   99.807   37.536  106.399   24.336 -6.592026 44.73528 
1 1 1  -21   13   23 o  134.637   12.602  232.809   41.876  190.007   54.762  293.086   64.986  119.365   19.009  149.303   17.780 -29.93739 26.02839 
1 1 1  -21   13   24 o  316.839   13.187  1282.84  104.340  1253.90  143.864  1314.96  151.553  309.184   18.721  316.184   19.287 -7.000275 26.87866 
1 1 1  -21   13   25 o  196.135   12.118  492.097   59.064  427.300   79.659  571.215   88.023  180.144   17.947  209.023   17.011 -28.87909 24.72787 
1 1 1  -21   13   26 o  161.897   12.587  336.882   50.486  335.973   67.667  338.024   75.824  159.723   17.239  159.098   19.493 0.6247864 26.02191 
1 1 1  -21   13   27 o  226.586   12.592  658.841   70.968  678.040   97.725  637.417  103.230  227.158   17.359  219.106   19.057 8.052658 25.77777 
1 1 1  -21   13   28 o  154.554   12.609  307.855   48.238  281.068   64.035  342.999   73.349  145.295   18.037  160.348   18.667 -15.05356 25.95762 
1 1 1  -21   13   29 o  124.522   13.559  201.784   41.480  205.221   54.259  196.951   64.346  123.714   18.098  119.042   22.469 4.672295 28.85188 
1 1 1  -21   13   30 o   42.838   16.493   17.057   24.888   9.5512   29.145   37.271   47.828   42.029   17.279   59.568   22.881 -17.53949 28.67253 
1 1 1  -21   13   31 o   67.517   17.534   62.426   29.827   63.454   36.687   60.422   51.227   67.939   20.165   68.277   24.107 -0.3377457 31.42898 
1 1 1  -21   13   32 o  108.292   18.642  160.196   48.593  152.232   50.348  268.519  185.676  104.877   19.953  120.065   45.328 -15.18797 49.52528 
1 1 1  -21   13   33 o   58.245   19.450   44.576   33.207   42.337   33.743  113.382  187.020   57.299   19.604   95.634   41.682 -38.33506 46.06177 
1 1 1  -21   13   34 o   80.148   37.493 -24.8366  186.992   0.0000   0.0000 -24.8366  186.992  ?   ?    80.148   37.493 0.000000 37.49310 
1 1 1  -21   14    1 o  145.151   12.857  270.699   46.122  302.233   59.738  224.163   72.571  152.329   15.941  127.776   23.613 24.55219 28.49028 
1 1 1  -21   14    2 o  154.398   12.576  305.368   48.068  306.806   62.453  303.279   75.289  153.365   16.570  150.801   20.526 2.563568 26.37989 
1 1 1  -21   14    3 o  107.152   15.008  149.779   39.056  109.645   49.411  216.606   63.759   89.447   22.220  127.094   20.810 -37.64697 30.44308 
1 1 1  -21   14    4 o  198.152   12.027  500.032   59.232  487.632   77.840  517.088   91.291  194.135   16.205  198.871   18.598 -4.735901 24.66763 
1 1 1  -21   14    5 o  332.500   18.422  1435.49  152.363  1616.60  223.033  1277.01  208.636  346.513   25.964  306.394   27.563 40.11890 37.86621 
1 1 1  -21   14    6 o  176.407   16.628  403.137   72.387  610.788  116.583  272.858   92.344  214.756   22.052  140.433   27.316 74.32227 35.10604 
1 1 1  -21   14    7 o  169.397   17.320  372.836   72.237  459.845  116.706  318.798   91.973  184.101   26.118  153.379   24.864 30.72217 36.06057 
1 1 1  -21   14    8 o   70.701   23.832   63.006   49.857   61.558   88.833   63.671   60.239   79.159   30.967   73.052   26.104 6.107742 40.50167 
1 1 1  -21   14    9 o  253.366   17.652  830.013  110.985  872.385  170.466  798.836  146.223  253.923   27.313  244.893   24.228 9.029388 36.51035 
1 1 1  -21   14   10 o  363.453   19.655  1716.61  177.727  1838.78  260.806  1610.70  242.842  368.354   28.577  344.755   28.462 23.59949 40.33253 
1 1 1  -21   14   11 o  281.960   12.469  1007.81   87.796  1042.98  117.690  963.672  131.835  284.734   16.624  272.142   19.529 12.59250 25.64655 
1 1 1  -21   14   12 o  190.519   12.093  461.480   57.237  421.523   75.229  516.404   88.201  180.506   16.886  199.531   17.892 -19.02483 24.60164 
1 1 1  -21   14   13 o  174.403   12.217  387.170   52.871  380.995   69.475  395.668   81.496  171.696   16.403  173.992   19.069 -2.295853 25.15362 
1 1 1  -21   14   14 o  167.351   12.596  357.130   52.254  343.317   68.649  376.157   80.570  162.623   17.164  169.442   19.391 -6.818909 25.89571 
1 1 1  -21   14   15 o  176.800   14.815  401.576   64.804  413.157   88.552  388.222   95.089  177.192   20.384  170.578   22.902 6.613983 30.65944 
1 1 1  -21   14   16 o  169.513   17.314  373.377   72.263  482.392  125.696  319.557   88.318  187.743   27.638  154.077   23.715 33.66574 36.41725 
1 1 1  -21   14   17 o  214.464   17.103  595.552   90.835  657.471  149.309  559.170  114.451  219.247   27.903  205.006   22.740 14.24153 35.99554 
1 1 1  -21   14   18 o  184.239   17.678  441.939   80.332  550.407  144.821  393.731   96.548  198.710   30.130  171.331   23.160 27.37880 38.00251 
1 1 1  -21   14   19 o   67.428   23.513   55.676   48.638   48.888  109.409   57.347   54.298   80.885   33.392   69.305   24.782 11.57975 41.58303 
1 1 1  -21   14   20 o   50.558   21.231   8.5366   45.347  -7.9619  111.494   11.807   49.639   71.654   31.672   53.424   22.309 18.22974 38.73991 
1 1 1  -21   14   21 o  246.312   16.182  785.179   98.980  1142.52  186.748  645.580  116.723  289.599   26.104  220.284   21.493 69.31483 33.81325 
1 1 1  -21   14   22 o  377.397   14.194  1825.07  133.764  1919.00  185.934  1724.31  192.585  382.204   19.546  360.389   21.497 21.81497 29.05491 
1 1 1  -21   14   23 o  261.637   12.332  872.491   80.575  902.588  111.227  839.255  116.883  263.221   17.013  252.727   18.652 10.49463 25.24542 
1 1 1  -21   14   24 o  253.187   12.284  817.710   77.667  847.588  106.574  783.870  113.422  254.927   16.836  243.863   18.769 11.06339 25.21384 
1 1 1  -21   14   25 o  159.645   12.691  327.804   50.175  313.111   66.865  346.740   75.909  153.904   17.721  161.286   19.226 -7.381744 26.14752 
1 1 1  -21   14   26 o   67.111   17.495   61.067   29.619   57.815   36.541   67.298   50.576   65.672   20.260   71.387   24.003 -5.715141 31.41072 
1 1 1  -21   14   27 o  182.739   12.946  430.289   58.692  479.931   79.588  371.106   86.900  191.043   16.856  165.174   21.585 25.86890 27.38613 
1 1 1  -21   14   28 o   79.888   16.888   86.334   32.636  110.100   41.092   45.733   53.711   89.739   18.932   64.191   24.344 25.54767 30.83961 
1 1 1  -21   14   29 o  108.626   14.440  155.092   38.199  156.555   48.839  152.787   61.306  107.332   18.912  103.622   24.140 3.709625 30.66647 
1 1 1  -21   14   30 o   94.198   15.423  118.262   35.023  105.733   44.282  139.191   57.235   87.046   20.678   98.873   23.523 -11.82664 31.31944 
1 1 1  -21   14   31 o   85.398   16.444   98.661   33.796   95.528   42.339  104.164   56.107   82.557   20.603   85.011   24.858 -2.454025 32.28612 
1 1 1  -21   14   32 o   92.621   19.898  119.626   44.650  123.543   45.873   49.143  194.605   94.052   20.139   89.877   40.621 4.175468 45.33945 
1 1 1  -21   14   33 o   92.108   20.063  119.120   44.841  128.399   46.157 -36.6134  189.098   95.768   19.948   80.084   37.540 15.68368 42.51084 
1 1 1  -21   14   34 o  127.625   18.739  223.986   57.944  224.875   60.358  213.541  206.951  127.346   19.609  106.640   45.099 20.70636 49.17790 
1 1 1  -21   15    1 o  128.041   13.587  212.607   42.780  229.825   54.594  185.214   68.861  131.866   16.973  114.724   24.762 17.14217 30.02093 
1 1 1  -21   15    2 o  171.261   12.206  375.866   51.861  368.954   67.520  385.811   80.991  168.006   16.299  170.299   19.390 -2.292572 25.33053 
1 1 1  -21   15    3 o  150.651   12.709  291.582   47.367  301.884   61.610  276.691   74.072  151.878   16.510  143.165   21.374 8.713379 27.00786 
1 1 1  -21   15    4 o  355.547   13.389  1615.64  118.880  1631.54  162.517  1597.35  174.350  353.203   18.490  348.007   20.149 5.196686 27.34679 
1 1 1  -21   15    5 o  201.684   11.891  518.662   59.622  501.362   78.516  542.224   91.633  196.576   16.137  203.445   18.230 -6.868423 24.34615 
1 1 1  -21   15    6 o  131.129   13.458  221.579   43.445  231.200   55.795  206.762   69.240  132.700   17.245  122.934   23.410 9.766045 29.07578 
1 1 1  -21   15    7 o  154.448   12.678  305.438   48.464  278.816   63.055  343.866   75.757  145.808   17.679  161.490   19.159 -15.68225 26.06971 
1 1 1  -21   15    8 o  110.162   14.786  157.900   39.648  153.840   50.806  164.225   63.406  107.123   19.719  109.252   23.905 -2.129173 30.98889 
1 1 1  -21   15    9 o   96.771   16.462  123.558   38.356  144.500   49.692   92.687   60.332  103.719   19.910   82.858   26.111 20.86099 32.83517 
1 1 1  -21   15   10 o   73.179   24.219   69.311   51.526   36.595   94.278   83.246   61.528   74.688   30.929   79.648   26.471 -4.959991 40.70974 
1 1 1  -21   15   11 o   67.920   23.629   56.587   49.105   49.878   90.346   59.400   58.500   76.487   30.799   71.015   25.683 5.472809 40.10200 
1 1 1  -21   15   12 o  169.273   17.369  373.193   72.380  476.862  120.897  315.274   90.365  186.758   26.682  152.324   24.594 34.43343 36.28742 
1 1 1  -21   15   13 o  253.688   17.107  833.109  107.739  962.525  167.096  741.024  140.950  267.317   25.334  234.955   24.378 32.36160 35.15824 
1 1 1  -21   15   14 o  204.847   22.598  559.369  113.675   0.0000   0.0000  559.369  113.675  ?   ?   204.847   22.598 0.000000 22.59822 
1 1 1  -21   15   15 o  111.803   36.750  180.876  118.710  180.876  118.710   0.0000   0.0000  111.803   36.750  ?   ?  0.000000 36.74992 
1 1 1  -21   15   16 o   86.303   24.009  102.330   53.629   53.446  105.678  119.285   62.238   80.819   33.027   92.706   25.890 -11.88673 41.96564 
1 1 1  -21   15   17 o   81.048   23.705   89.563   51.018  115.739  103.903   81.247   58.565   94.203   34.203   78.423   25.814 15.78025 42.85109 
1 1 1  -21   15   18 o  213.716   15.478  589.685   82.044  545.479  146.589  609.849   99.003  196.348   30.920  215.837   18.549 -19.48875 36.05643 
1 1 1  -21   15   19 o   84.023   16.806   94.220   34.031   79.844   43.300  117.446   55.036   76.601   21.667   92.066   23.774 -15.46474 32.16566 
1 1 1  -21   15   20 o  142.070   13.082  259.656   45.890  284.982   60.931  226.461   69.758  147.526   16.841  128.972   22.476 18.55325 28.08585 
1 1 1  -21   15   21 o  160.053   12.685  328.721   50.283  352.650   67.047  297.962   76.015  164.293   16.568  148.889   21.030 15.40392 26.77300 
1 1 1  -21   15   22 o  247.689   12.715  785.376   78.382  796.776  106.701  772.013  115.522  246.851   17.421  241.742   19.297 5.108383 25.99782 
1 1 1  -21   15   23 o  148.051   12.677  282.025   46.417  281.895   61.378  282.200   70.944  146.276   17.127  144.955   20.143 1.321136 26.44059 
1 1 1  -21   15   24 o  144.950   13.088  271.195   46.864  243.431   61.859  308.597   71.797  134.921   18.877  151.915   19.366 -16.99318 27.04433 
1 1 1  -21   15   25 o   56.828   18.168   42.008   29.129   32.128   35.409   62.692   51.232   53.913   19.905   69.719   24.142 -15.80537 31.28965 
1 1 1  -21   15   26 o  194.923   12.635  488.715   61.170  504.716   82.881  469.571   90.656  195.750   17.127  187.225   19.685 8.525009 26.09311 
1 1 1  -21   15   27 o  108.241   14.073  153.449   37.140  118.016   46.868  213.256   60.890   92.262   20.835  125.184   20.163 -32.92150 28.99383 
1 1 1  -21   15   28 o   75.369   17.373   77.409   32.027   81.675   39.660   69.411   54.302   76.735   20.361   72.273   24.864 4.462433 32.13695 
1 1 1  -21   15   29 f   41.849   16.549   14.044   25.616   13.098   30.170   16.488   48.486   43.881   17.753   53.360   22.145 -9.479549 28.38259 
1 1 1  -21   15   30 o  140.507   13.257  256.898   45.967  264.756   60.509  246.174   70.684  140.553   17.627  133.001   22.055 7.551590 28.23361 
1 1 1  -21   15   31 o  141.806   17.678  270.389   61.242  245.992   64.190  517.842  204.427  134.007   19.776  164.701   47.246 -30.69467 51.21770 
1 1 1  -21   15   32 o  115.443   19.300  183.510   53.674  191.001   55.703   86.271  200.691  117.626   19.657   93.721   41.893 23.90480 46.27574 
1 1 1  -21   15   33 o   97.098   19.773  132.053   46.315  131.281   47.511  146.814  207.712   96.515   20.354   99.489   43.628 -2.973648 48.14260 
1 1 1  -21   16    1 o   84.180   18.036   96.722   36.773  147.643   46.217   8.8655   60.707  104.350   18.409   56.341   24.145 48.00917 30.36251 
1 1 1  -21   16    2 o   43.597   17.969   9.9424   31.618   16.557   39.216  -2.3428   53.446   49.593   20.176   50.932   22.238 -1.339535 30.02660 
1 1 1  -21   16    3 o  181.034   12.414  421.160   55.782  429.828   72.670  408.727   87.034  181.103   16.241  174.254   20.386 6.848145 26.06488 
1 1 1  -21   16    4 o  233.372   11.894  696.460   69.084  711.323   91.572  676.826  105.250  233.785   15.778  226.107   18.811 7.677719 24.55188 
1 1 1  -21   16    5 o  145.266   13.052  272.082   46.840  282.326   60.489  256.741   74.025  146.505   16.840  137.030   22.408 9.475143 28.03013 
1 1 1  -21   16    6 o  115.092   14.562  172.793   40.917  167.616   52.558  180.758   65.190  111.479   19.595  114.120   23.652 -2.641556 30.71490 
1 1 1  -21   16    7 o  126.542   13.793  207.376   42.880  201.130   54.548  217.477   69.374  122.961   18.324  125.938   22.903 -2.976555 29.33137 
1 1 1  -21   16    8 o  100.078   15.715  131.957   37.979  128.483   48.211  137.638   61.656   97.118   20.522   99.110   24.934 -1.992287 32.29292 
1 1 1  -21   16    9 o  152.259   12.818  297.630   48.283  331.047   63.104  250.441   74.988  159.433   16.069  135.517   22.980 23.91544 28.04089 
1 1 1  -21   16   10 o   69.031   19.021   64.259   33.839   59.817   42.253   72.202   56.504   67.659   21.908   74.645   25.370 -6.985718 33.51984 
1 1 1  -21   16   11 o   39.393   16.806   1.1169   29.173  -9.7781   35.795   22.670   50.346   40.339   17.882   56.671   22.931 -16.33231 29.07926 
1 1 1  -21   16   12 o   63.169   19.333   52.631   33.349   50.741   41.018   56.316   57.280   63.616   21.616   69.385   25.364 -5.768063 33.32522 
1 1 1  -21   16   13 o  145.498   17.606  278.139   62.668  274.582  115.356  279.628   74.644  136.238   34.012  144.266   21.366 -8.028107 40.16622 
1 1 1  -21   16   14 o   62.632   20.959   49.658   38.560   46.248   39.771  103.114  157.465   61.441   21.271   98.492   40.290 -37.05061 45.56033 
1 1 1  -21   16   15 o   77.801   17.980   81.633   34.232   66.191   43.158  107.829   56.210   70.535   22.061   88.140   24.601 -17.60597 33.04371 
1 1 1  -21   16   16 o  140.724   13.049  254.737   45.334  254.482   58.693  255.114   71.377  139.160   17.260  137.534   21.485 1.626236 27.55942 
1 1 1  -21   16   17 o  221.784   12.538  628.807   69.153  619.438   92.603  640.620  103.977  217.933   17.154  220.561   19.066 -2.628433 25.64706 
1 1 1  -21   16   18 o  234.478   12.294  702.333   71.736  651.464   96.002  766.647  107.946  223.317   17.351  241.957   17.994 -18.64047 24.99728 
1 1 1  -21   16   19 o  133.622   13.418  230.620   44.167  253.105   57.635  198.628   68.748  138.710   16.994  119.763   23.826 18.94714 29.26557 
1 1 1  -21   16   20 o  150.920   13.127  293.431   48.978  324.703   64.457  250.709   75.339  157.394   16.653  135.119   23.162 22.27481 28.52674 
1 1 1  -21   16   21 o  166.657   12.758  357.045   52.693  405.998   70.231  293.996   79.704  176.314   16.130  146.769   22.461 29.54483 27.65299 
1 1 1  -21   16   22 o  195.067   12.245  487.743   59.344  504.883   79.798  466.533   88.766  196.488   16.414  187.255   19.257 9.232620 25.30311 
1 1 1  -21   16   23 o  137.058   13.303  243.143   44.958  247.126   58.884  237.577   69.614  136.390   17.707  131.657   21.947 4.732651 28.19891 
1 1 1  -21   16   24 o  152.294   13.030  299.570   49.078  320.658   65.078  271.761   74.734  155.841   16.998  140.825   21.968 15.01582 27.77685 
1 1 1  -21   16   25 o  113.994   14.248  170.079   39.672  168.822   51.432  171.925   62.338  111.603   19.144  110.716   23.285 0.8861694 30.14463 
1 1 1  -21   16   26 o  207.354   12.416  552.935   63.994  572.629   86.482  529.101   95.139  208.587   16.744  198.720   19.420 9.866852 25.64197 
1 1 1  -21   16   27 o   91.430   16.345  112.165   35.948  121.021   45.185   96.894   59.337   93.659   19.931   82.661   25.870 10.99777 32.65741 
1 1 1  -21   16   28 o  143.227   13.365  266.648   47.249  289.180   62.282  236.099   72.520  147.345   17.253  129.745   23.236 17.60027 28.94130 
1 1 1  -21   16   29 o   65.603   17.939   58.974   30.234   59.214   36.708   58.468   53.312   65.879   20.303   67.888   24.522 -2.009232 31.83680 
1 1 1  -21   16   30 o  154.308   13.676  310.728   52.152  266.291   69.809  366.852   78.454  138.959   20.754  164.290   19.504 -25.33121 28.48013 
1 1 1  -21   16   31 o  156.670   18.992  333.799   72.783  362.972   77.614  121.109  209.567  163.138   19.434   98.507   43.488 64.63072 47.63255 
1 1 1  -21   16   32 o  127.726   18.466  222.898   57.187  214.738   59.426  325.113  210.318  124.578   19.762  124.115   47.899 0.4639664 51.81580 
1 1 1  -21   16   33 o   80.413   20.469   92.150   41.209   92.216   42.013   90.468  211.736   80.329   20.785   92.864   42.133 -12.53580 46.98117 
1 1 1  -21   17    1 o  103.802   23.694  154.855   60.066  152.666   65.119  167.340  155.524  102.051   25.597  102.560   40.707 -0.5092926 48.08639 
1 1 1  -21   17    2 o   77.105   24.106   83.846   51.535   75.894   55.119  139.107  145.299   74.289   25.058   97.902   39.186 -23.61333 46.51303 
1 1 1  -21   17    3 o  167.973   19.326  380.705   79.588  362.860   88.980  452.101  177.978  161.779   22.646  160.727   43.349 1.052658 48.90773 
1 1 1  -21   17    4 o  107.226   15.518  152.381   40.343  180.459   51.492  107.747   64.921  115.573   18.463   86.601   27.053 28.97209 32.75249 
1 1 1  -21   17    5 o   61.591   19.675   50.218   34.167   53.746   42.471   43.747   57.520   64.492   21.995   64.554   25.011 -0.6147766E-01 33.30649 
1 1 1  -21   17    6 o  139.893   13.289  253.524   45.864  235.332   58.493  282.562   73.900  132.712   18.124  144.002   21.184 -11.28969 27.87848 
1 1 1  -21   17    7 o   50.685   19.028   26.831   32.622   27.401   40.413   25.763   55.266   53.907   20.943   58.872   23.951 -4.964809 31.81600 
1 1 1  -21   17    8 o   63.595   19.466   54.036   33.807   71.262   42.012   22.385   56.948   72.248   21.610   58.643   24.137 13.60469 32.39716 
1 1 1  -21   17    9 o  133.079   13.450  229.285   44.085  217.155   56.383  248.364   70.714  127.631   18.206  134.962   21.718 -7.330986 28.34017 
1 1 1  -21   17   10 o   99.329   15.970  130.665   38.270  120.050   48.335  148.501   62.653   93.319   21.221  102.631   24.736 -9.312592 32.59178 
1 1 1  -21   17   11 o  146.242   12.700  275.234   45.919  232.126   58.860  342.266   73.399  132.068   18.343  160.619   18.647 -28.55165 26.15622 
1 1 1  -21   17   12 o  140.442   13.184  254.513   45.697  229.251   58.479  294.130   73.234  131.262   18.342  147.975   20.358 -16.71321 27.40158 
1 1 1  -21   17   13 o  188.216   14.275  457.691   66.594  498.619   96.795  420.907   91.764  193.259   20.363  176.949   21.188 16.31039 29.38721 
1 1 1  -21   17   14 o   72.305   19.094   71.154   34.988  109.585   43.772   3.1583   58.224   89.517   20.076   54.595   23.526 34.92171 30.92776 
1 1 1  -21   17   15 o  107.653   15.163  152.128   39.634  140.447   50.312  171.231   64.341  101.410   20.571  110.781   23.955 -9.371117 31.57558 
1 1 1  -21   17   16 o  202.938   12.256  527.309   61.817  539.636   81.760  510.858   94.453  203.432   16.229  196.048   19.554 7.383408 25.41151 
1 1 1  -21   17   17 o   99.005   15.557  129.477   37.195   88.210   46.411  203.573   62.189   79.860   22.377  122.284   21.130 -42.42410 30.77618 
1 1 1  -21   17   18 o  154.668   12.597  307.707   48.233  257.826   61.978  384.307   76.804  139.233   18.267  170.335   18.346 -31.10191 25.88892 
1 1 1  -21   17   19 o  150.114   12.714  290.251   47.211  282.919   61.324  300.921   73.973  146.417   17.094  149.453   20.350 -3.036041 26.57652 
1 1 1  -21   17   20 o  221.096   12.378  626.867   68.066  670.718   90.845  570.743  102.776  226.659   16.156  206.486   20.190 20.17236 25.85843 
1 1 1  -21   17   21 o  185.953   12.658  444.765   58.430  471.269   77.458  409.770   89.005  189.524   16.532  174.169   20.880 15.35530 26.63262 
1 1 1  -21   17   22 o   80.517   17.451   87.942   34.075  103.474   42.870   61.293   56.154   86.586   20.197   69.971   25.182 16.61517 32.28112 
1 1 1  -21   17   23 o   99.252   15.703  130.829   37.624  161.081   48.661   85.858   59.329  109.205   18.504   78.879   25.983 30.32603 31.89875 
1 1 1  -21   17   24 o  187.135   12.655  451.266   58.790  488.641   78.421  403.310   88.831  192.750   16.450  172.219   21.096 20.53017 26.75179 
1 1 1  -21   17   25 o  120.130   14.077  188.769   41.430  185.163   53.283  194.281   65.884  116.923   18.893  117.621   23.255 -0.6978073 29.96221 
1 1 1  -21   17   26 o  105.912   14.866  148.157   38.235  122.926   48.230  190.839   62.729   93.872   21.089  116.930   22.297 -23.05790 30.69024 
1 1 1  -21   17   27 o  144.439   13.266  271.143   47.315  244.701   61.694  308.909   73.729  134.504   18.888  150.643   20.101 -16.13849 27.58283 
1 1 1  -21   17   28 o  124.540   13.881  203.136   42.435  233.985   54.887  157.297   66.906  132.301   17.007  103.759   25.902 28.54224 30.98665 
1 1 1  -21   17   29 o  128.957   14.758  219.293   46.668  272.625   62.423  151.711   70.269  142.238   17.976  100.939   27.244 41.29873 32.64001 
1 1 1  -21   17   30 o   95.074   20.408  126.740   47.004  132.878   48.267   14.102  206.762   97.357   20.501   87.623   40.450 9.733719 45.34868 
1 1 1  -21   17   31 o  121.722   19.524  204.616   57.340  216.539   59.447   45.276  217.318  125.198   19.662   90.638   41.707 34.55957 46.10982 
1 1 1  -21   17   32 o   71.881   20.669   73.273   39.084   75.502   39.784   11.601  209.266   72.884   20.822   85.787   39.975 -12.90287 45.07301 
1 1 1  -21   18    1 o   75.907   24.261   82.875   51.946   78.213   55.135  119.718  155.000   74.269   25.061   92.573   39.084 -18.30436 46.42843 
1 1 1  -21   18    2 o   55.734   22.352   27.848   47.376   9.4130   49.794  203.920  153.887   51.476   21.959  107.561   41.107 -56.08519 46.60481 
1 1 1  -21   18    3 o   53.335   21.885   20.339   46.642   34.919   49.074 -115.8914  150.006   58.632   22.994   66.399   31.788 -7.767082 39.23256 
1 1 1  -21   18    4 o   88.960   24.055  114.458   54.720   93.668   58.142  275.658  161.898   80.741   25.652  123.020   42.898 -42.27884 49.98266 
1 1 1  -21   18    5 o   68.713   23.704   62.786   49.368   65.135   52.322   43.732  149.014   70.002   24.388   83.576   36.794 -13.57421 44.14298 
1 1 1  -21   18    6 o   86.569   24.001  107.350   53.690  138.348   57.685 -93.4546  146.822   98.338   23.757   68.462   32.395 29.87588 40.17260 
1 1 1  -21   18    7 o   59.503   19.574   46.316   33.675   29.510   41.437   79.005   57.791   54.733   21.222   75.924   25.658 -21.19086 33.29725 
1 1 1  -21   18    8 o  163.592   12.690  345.676   51.436  390.306   66.764  280.505   80.678  172.427   15.677  141.594   23.651 30.83351 28.37529 
1 1 1  -21   18    9 o   84.305   17.968   96.858   36.671  106.517   45.953   79.922   60.852   87.361   21.265   76.793   26.327 10.56747 33.84178 
1 1 1  -21   18   10 o  124.551   14.236  202.706   43.481  189.912   55.557  222.930   69.853  118.289   19.487  126.556   22.948 -8.266930 30.10561 
1 1 1  -21   18   11 o   83.392   17.988   94.653   36.358   64.441   45.317  149.236   60.912   69.373   22.701  102.593   24.173 -33.21945 33.16141 
1 1 1  -21   18   12 o  119.391   23.779  199.874   68.403   0.0000   0.0000  199.874   68.403  ?   ?   119.391   23.779 0.000000 23.77858 
1 1 1  -21   18   13 o  175.286   16.869  404.726   72.927  404.726   72.927   0.0000   0.0000  175.286   16.869  ?   ?  0.000000 16.86899 
1 1 1  -21   18   14 o   77.636   18.045   82.166   34.318   52.378   42.026  141.781   59.454   63.959   21.879  100.104   24.078 -36.14560 32.53340 
1 1 1  -21   18   15 o  122.794   14.449  197.077   43.459  197.542   55.933  196.368   69.036  120.985   19.151  118.147   24.213 2.837547 30.87107 
1 1 1  -21   18   16 o  165.464   12.653  352.722   51.885  371.740   67.750  325.747   80.687  168.206   16.335  154.629   21.476 13.57706 26.98236 
1 1 1  -21   18   17 o  171.096   12.658  377.091   53.698  339.284   69.874  431.628   83.923  159.866   17.805  179.820   18.976 -19.95338 26.02151 
1 1 1  -21   18   18 o  117.907   14.253  181.790   41.115  140.303   52.015  250.880   67.124  100.609   21.363  135.903   20.409 -35.29375 29.54532 
1 1 1  -21   18   19 o  219.117   12.168  616.289   66.319  597.927   87.662  640.862  101.413  213.354   16.584  219.491   18.680 -6.136993 24.97929 
1 1 1  -21   18   20 o  217.010   12.543  605.789   67.684  610.727   90.092  599.390  102.555  215.368   16.887  211.450   19.647 3.917969 25.90675 
1 1 1  -21   18   21 o   63.685   18.937   54.888   32.333   58.376   39.964   48.277   55.012   66.046   21.298   65.226   24.661 0.8196945 32.58477 
1 1 1  -21   18   22 o   23.767   11.664 -46.4422   23.741 -44.2979   27.635 -52.4828   46.383   27.111   13.144   37.764   17.967 -10.65371 22.26166 
1 1 1  -21   18   23 o   82.146   17.453   91.858   34.698   69.926   42.959  133.019   58.851   71.281   21.964   96.357   24.425 -25.07610 32.84798 
1 1 1  -21   18   24 o   76.015   18.047   79.285   33.746   94.716   42.043   51.342   56.577   82.417   20.510   66.384   25.031 16.03283 32.36074 
1 1 1  -21   18   25 o  100.428   15.720  134.482   38.131  131.898   48.262  138.775   62.206   97.450   20.482   97.872   25.276 -0.4213638 32.53303 
1 1 1  -21   18   26 o  123.486   14.413  200.400   43.607  219.021   56.112  172.004   69.293  127.402   18.150  108.630   25.908 18.77164 31.63294 
1 1 1  -21   18   27 o  148.430   13.465  287.167   49.367  270.654   64.239  310.985   77.152  141.414   18.646  150.135   21.166 -8.720932 28.20738 
1 1 1  -21   18   28 o   57.195   18.756   43.029   30.927   50.941   37.783   26.964   53.836   62.004   20.747   57.901   23.607 4.102295 31.42852 
1 1 1  -21   18   29 o  113.395   19.330  177.237   52.774  166.582   54.498  337.647  211.457  109.102   20.762  127.469   48.313 -18.36742 52.58473 
1 1 1  -21   18   30 o  165.848   18.507  373.754   75.341  367.418   79.929  424.247  225.635  163.335   20.015  137.980   50.356 25.35522 54.18782 
1 1 1  -21   18   31 o   54.262   19.844   35.271   35.064   37.898   35.556 -57.6865  211.514   55.499   20.030   80.668   38.377 -25.16931 43.28929 
1 1 1  -21   18   32 o   67.743   20.914   64.803   38.929   65.126   39.473   53.305  235.309   67.900   21.075   90.515   42.249 -22.61506 47.21396 
1 1 1  -21   19    1 o   43.329   19.603 -15.2090   45.450 -16.1805   47.429  -4.2897  159.010   44.093   19.980   76.082   35.245 -31.98910 40.51435 
1 1 1  -21   19    2 o   43.394   19.623 -15.4398   45.486 -10.0571   47.463 -76.0405  159.255   45.513   20.357   70.108   33.338 -24.59524 39.06126 
1 1 1  -21   19    3 f   43.643   19.630 -13.0909   44.806  -4.2900   46.744 -112.7155  157.269   46.573   20.550   67.180   32.263 -20.60717 38.25246 
1 1 1  -21   19    4 o   51.733   21.562   16.176   46.246   17.829   48.316  -1.8878  159.696   53.006   22.061   77.992   35.838 -24.98591 42.08412 
1 1 1  -21   19    5 o   57.556   22.595   33.637   47.429   38.477   49.532 -19.7438  164.490   59.741   23.192   77.469   35.873 -17.72783 42.71737 
1 1 1  -21   19    6 o   89.299   23.956  115.963   54.528  113.946   58.147  130.670  157.029   88.104   25.173   95.649   39.787 -7.544266 47.08203 
1 1 1  -21   19    7 o   64.940   23.230   54.040   47.714   48.174   50.234  108.149  152.561   63.383   23.648   92.337   38.868 -28.95378 45.49669 
1 1 1  -21   19    8 o   64.579   23.277   52.643   47.995   54.229   50.290   36.452  160.685   65.610   23.799   84.122   37.552 -18.51186 44.45878 
1 1 1  -21   19    9 o   64.097   23.037   51.645   46.978   44.687   49.091  127.315  161.886   62.105   23.337   96.944   40.368 -34.83898 46.62791 
1 1 1  -21   19   10 o  151.553   19.944  312.964   73.645  316.602   80.892  295.344  178.021  151.071   22.095  126.537   44.911 24.53426 50.05231 
1 1 1  -21   19   11 o   97.354   26.194  138.584   65.078   0.0000   0.0000  138.584   65.078  ?   ?    97.354   26.194 0.000000 26.19402 
1 1 1  -21   19   12 o   51.460   20.387   23.000   38.943   34.045   40.056 -167.4864  166.351   55.867   21.063   67.286   32.530 -11.41924 38.75359 
1 1 1  -21   19   13 o   82.566   18.276   93.513   36.687  126.922   46.475   38.271   59.761   95.773   20.074   63.305   25.200 32.46825 32.21820 
1 1 1  -21   19   14 o  148.333   13.281  285.705   48.673  296.048   62.241  269.423   78.092  149.237   17.005  138.702   23.377 10.53444 28.90802 
1 1 1  -21   19   15 o   53.361   18.953   34.140   31.710   21.706   38.519   60.286   55.856   50.881   20.239   69.176   25.083 -18.29572 32.23003 
1 1 1  -21   19   16 f  142.551   13.568  264.413   47.717  259.569   61.268  271.880   76.074  139.125   18.061  139.893   22.543 -0.7682037 28.88569 
1 1 1  -21   19   17 o   60.844   19.562   49.084   33.734   68.294   40.962   8.5951   59.468   70.423   21.400   55.708   23.887 14.71466 32.07093 
1 1 1  -21   19   18 o  134.320   13.672  235.189   45.219  218.563   57.782  261.461   72.634  127.137   18.764  137.488   21.889 -10.35178 28.83114 
1 1 1  -21   19   19 o   97.747   16.347  128.072   38.493  144.069   48.488  100.805   63.303  102.370   19.682   83.920   26.778 18.44959 33.23335 
1 1 1  -21   19   20 o   64.130   19.147   55.960   33.004   5.4625   40.184  160.640   57.856   46.468   19.772  106.885   22.393 -60.41678 29.87284 
1 1 1  -21   19   21 f   61.044   18.906   50.083   31.785   48.433   38.659   53.528   55.843   61.301   20.984   66.824   24.933 -5.523464 32.58789 
1 1 1  -21   19   22 o  109.452   15.568  159.167   41.353  149.639   52.108  175.375   67.965  103.733   20.839  110.155   25.248 -6.422012 32.73700 
1 1 1  -21   19   23 o   69.714   18.883   67.108   33.687   62.813   41.703   75.173   57.145   67.884   21.742   74.260   25.509 -6.376144 33.51782 
1 1 1  -21   19   24 o   81.491   18.040   91.277   35.741  101.538   44.941   73.617   58.957   84.884   21.250   73.843   25.879 11.04025 33.48591 
1 1 1  -21   19   25 o   61.244   19.398   50.456   33.265   53.786   41.327   44.328   56.058   63.857   21.697   63.724   24.691 0.1331062 32.86931 
1 1 1  -21   19   26 f   99.236   16.874  133.214   40.319  136.887   51.707  127.516   64.401   98.410   21.630   92.835   26.481 5.575142 34.19251 
1 1 1  -21   19   27 o  103.416   20.561  149.644   51.229  144.797   52.743  230.486  215.397  101.188   21.534  111.783   46.557 -10.59476 51.29592 
1 1 1  -21   19   28 o   57.093   20.484   40.297   37.130   40.029   37.683   49.252  217.537   57.117   20.619   91.230   41.887 -34.11285 46.68670 
1 1 1  -21   19   29 o   64.974   21.167   57.949   39.414   58.558   40.051   39.258  221.975   65.301   21.340   89.994   41.673 -24.69255 46.81945 
1 1 1  -21   19   30 o  106.363   20.746  160.036   53.124  175.141   54.655 -98.4098  226.078  111.618   20.359   79.662   38.366 31.95682 43.43270 
1 1 1  -21   19   31 o   64.310   20.790   57.442   38.064   50.129   38.586  322.279  232.193   61.135   20.964  117.498   48.587 -56.36308 52.91694 
1 1 1  -21   20    2 o   63.411   23.942   51.204   51.804   60.979   54.446 -42.2453  168.343   67.089   24.698   73.061   34.605 -5.972183 42.51478 
1 1 1  -21   20    3 o   55.723   22.635   28.071   49.261   30.881   51.618  -0.6095  164.902   57.273   23.203   76.846   35.701 -19.57299 42.57887 
1 1 1  -21   20    4 o   64.085   23.904   52.268   51.321   60.057   53.985 -20.8441  165.390   67.166   24.613   75.569   35.322 -8.402557 43.05194 
1 1 1  -21   20    5 o   76.051   24.757   84.255   53.920   75.276   56.903  163.213  168.746   72.923   25.432   98.206   41.081 -25.28250 48.31574 
1 1 1  -21   20    6 o   65.878   24.110   56.337   51.777   68.430   54.563 -53.1220  164.156   70.484   24.880   73.333   34.563 -2.848801 42.58684 
1 1 1  -21   20    7 o   88.471   24.382  115.452   55.595  116.689   58.951  105.504  167.158   88.543   25.363   91.333   39.608 -2.790131 47.03259 
1 1 1  -21   20    8 o  103.715   23.485  156.072   59.412  160.320   63.284  124.509  172.491  104.451   24.658   94.792   40.664 9.659157 47.55603 
1 1 1  -21   20    9 o   44.384   19.612  -6.0071   42.721  -1.4356   44.393 -63.2597  157.104   46.331   20.247   72.009   33.901 -25.67878 39.48673 
1 1 1  -21   20   10 o   51.413   21.292   16.663   44.683   10.743   46.310   96.477  170.043   50.421   21.330   91.754   39.869 -41.33242 45.21635 
1 1 1  -21   20   11 o   56.382   22.161   31.297   45.674   39.816   47.369 -81.3817  172.274   59.738   22.812   73.893   35.002 -14.15531 41.77960 
1 1 1  -21   20   12 o  102.749   22.839  150.891   57.082  141.070   59.379  270.475  207.200   98.543   24.286  118.116   46.953 -19.57251 52.86195 
1 1 1  -21   20   13 o   89.247   23.336  114.688   52.596  106.721   54.891  204.038  183.828   85.797   24.439  108.806   43.890 -23.00888 50.23598 
1 1 1  -21   20   14 o   86.022   23.340  106.358   51.415   97.504   53.640  206.466  180.371   82.272   24.375  109.408   43.707 -27.13605 50.04420 
1 1 1  -21   20   15 o   61.760   22.468   46.810   44.868   60.675   46.216 -180.5812  187.161   67.343   22.944   70.178   34.065 -2.835518 41.07091 
1 1 1  -21   20   16 o   83.401   22.812   99.341   48.881  109.346   50.785 -26.6757  180.226   87.391   22.969   80.765   37.453 6.625504 43.93526 
1 1 1  -21   20   17 o  151.980   19.427  314.240   72.042  307.812   77.098  358.485  202.280  149.209   21.296  134.374   47.854 14.83475 52.37895 
1 1 1  -21   20   18 o   88.641   18.206  107.903   38.951   81.715   49.943  148.562   62.230   76.079   23.722  101.130   24.825 -25.05113 34.33665 
1 1 1  -21   20   19 f   66.691   20.006   61.254   35.967  102.442   45.880  -4.4214   57.934   85.070   21.567   51.942   22.901 33.12821 31.45801 
1 1 1  -21   20   20 o  136.793   14.747  246.419   49.578  207.264   65.981  297.193   75.137  121.222   22.629  146.657   21.126 -25.43464 30.95724 
1 1 1  -21   20   21 o   95.757   17.675  124.979   40.707  122.269   52.647  129.006   64.191   92.404   22.926   93.506   26.357 -1.102211 34.93227 
1 1 1  -21   20   22 o  128.295   19.940  226.321   61.807  201.196   64.535  504.882  214.884  119.390   22.470  158.697   49.159 -39.30727 54.05144 
1 1 1  -21   20   23 o  150.598   19.692  310.121   72.283  311.996   76.110  292.875  230.830  150.307   20.838  120.410   48.964 29.89659 53.21383 
1 1 1  -21   20   24 o  123.247   20.119  210.021   59.785  194.468   62.104  406.713  220.848  117.436   21.985  138.133   49.909 -20.69668 54.53667 
1 1 1  -21   20   25 o  106.644   21.412  160.498   55.041  164.525   56.865  100.749  219.047  107.744   21.882   96.566   43.421 11.17752 48.62274 
1 1 1  -21   20   26 o   71.901   21.855   73.023   42.718   69.541   43.588  157.660  214.884   70.402   22.194  101.696   44.491 -31.29331 49.71978 
1 1 1  -21   20   27 o   45.784   18.883   12.833   34.943   12.528   35.383   24.827  222.041   45.894   18.971   88.796   41.311 -42.90269 45.45862 
1 1 1  -21   20   28 o  156.666   18.763  336.067   71.946  308.841   75.278  623.419  244.555  148.630   20.856  165.034   52.629 -16.40369 56.61122 
1 1 1  -21   20   29 o   55.910   20.543   37.908   37.643   39.377   38.133 -18.0765  235.477   56.629   20.696   85.503   40.623 -28.87414 45.59091 
1 1 1  -21   20   30 o   78.850   21.600   90.239   43.786   89.226   44.560  118.622  235.919   78.311   21.920   95.044   43.631 -16.73235 48.82812 
1 1 1  -21   21    5 o   83.316   25.335  105.829   57.396   88.255   60.529  262.546  180.757   76.799   26.257  109.995   43.814 -33.19653 51.07899 
1 1 1  -21   21    6 o   89.470   25.274  121.756   58.957  125.630   62.383   89.359  180.392   90.406   26.147   87.722   39.428 2.683174 47.30991 
1 1 1  -21   21    7 o   63.116   23.858   49.483   51.482   51.691   53.840   25.911  175.903   64.310   24.377   81.295   37.451 -16.98504 44.68569 
1 1 1  -21   21    8 o   77.416   24.588   88.102   53.421   98.336   56.124 -10.5509  174.254   81.243   25.116   78.109   36.424 3.134621 44.24434 
1 1 1  -21   21    9 o   82.613   24.762  101.275   55.120  110.401   58.081   18.550  174.865   85.874   25.343   81.360   37.429 4.513809 45.20170 
1 1 1  -21   21   10 o  116.807   45.661  283.277  193.028   0.0000   0.0000  283.277  193.028  ?   ?   116.807   45.661 0.000000 45.66115 
1 1 1  -21   21   11 o  113.370   24.516  188.600   67.385  188.600   67.385   0.0000   0.0000  113.370   24.516  ?   ?  0.000000 24.51569 
1 1 1  -21   21   12 o   41.714   18.717 -11.9123   40.464 -19.3839   41.660  112.636  170.093   40.703   18.553   92.695   40.076 -51.99163 44.16231 
1 1 1  -21   21   13 o   46.507   20.007   3.9818   41.970  -0.5371   43.189   80.656  177.905   45.911   20.020   89.734   39.818 -43.82280 44.56765 
1 1 1  -21   21   14 o  115.474   22.033  189.266   61.216  193.882   64.694  149.762  189.249  116.240   23.101   99.344   42.605 16.89560 48.46461 
1 1 1  -21   21   15 o   56.640   21.648   35.211   42.680   36.421   43.874   13.887  184.224   57.422   21.948   83.814   38.506 -26.39213 44.32174 
1 1 1  -21   21   16 o   86.256   23.358  107.902   51.552  103.420   53.330  171.785  201.320   84.248   24.121  103.082   44.068 -18.83405 50.23719 
1 1 1  -21   21   17 o   86.538   23.534  108.713   52.200  120.061   54.213 -35.6607  193.366   90.869   23.659   80.905   37.936 9.963402 44.70921 
1 1 1  -21   21   18 o   56.477   21.284   36.108   40.894   34.722   41.835   65.873  193.873   56.256   21.449   90.501   40.757 -34.24490 46.05618 
1 1 1  -21   21   19 o  107.524   21.769  163.822   56.445  157.397   58.623  245.486  209.003  104.622   23.060  113.107   46.360 -8.484322 51.77864 
1 1 1  -21   21   20 f   42.995   18.618   0.3611   36.830 -10.6409   37.406  349.121  210.605   40.416   18.075  128.658   48.338 -88.24229 51.60643 
1 1 1  -21   21   21 o  117.065   21.499  193.080   60.533  205.805   63.096   45.888  214.593  120.814   21.712   90.562   41.588 30.25242 46.91457 
1 1 1  -21   21   22 o  167.253   19.745  384.007   80.876  392.228   86.213  323.696  233.506  168.092   20.997  121.999   49.377 46.09334 53.65618 
1 1 1  -21   21   23 o  120.724   20.517  203.551   59.639  188.426   61.638  425.367  236.052  115.007   22.267  135.963   51.157 -20.95654 55.79263 
1 1 1  -21   21   24 o   83.405   22.199  100.357   47.052   87.498   48.040  403.235  233.144   77.834   23.069  132.254   50.585 -54.41967 55.59695 
1 1 1  -21   21   25 o   81.767   22.708   97.053   48.020  106.802   49.051 -127.5688  235.447   85.771   22.589   79.426   38.472 6.344238 44.61330 
1 1 1  -21   21   26 o   66.154   21.894   60.574   42.106   56.067   42.828  190.861  230.281   64.355   22.085  103.480   45.639 -39.12534 50.70217 
1 1 1  -21   21   27 o   68.757   22.133   66.826   43.173   66.213   43.844   86.406  247.727   68.529   22.325   93.962   43.687 -25.43284 49.06102 
1 1 1  -21   21   28 o  131.855   19.800  243.137   63.182  225.756   65.242  505.460  253.455  125.782   21.546  138.625   52.809 -12.84311 57.03505 
1 1 1  -21   21   29 o  137.362   19.399  263.404   64.690  238.578   66.668  663.213  267.544  129.202   21.413  156.680   55.117 -27.47762 59.13016 
1 1 1  -21   22    8 o   56.674   22.789   32.062   49.386   35.870   51.485 -11.8061  174.729   58.397   23.343   76.206   35.838 -17.80959 42.76984 
1 1 1  -21   22    9 o  100.708   42.893  200.163  189.456   0.0000   0.0000  200.163  189.456  ?   ?   100.708   42.893 0.000000 42.89330 
1 1 1  -21   22   10 o   43.726   19.628 -10.8302   44.551 -10.0635   45.847 -23.8095  188.644   44.525   19.954   78.011   36.854 -33.48662 41.90971 
1 1 1  -21   22   11 o   46.466   20.245   1.4274   44.088  -3.8114   45.360   90.953  187.512   45.782   20.221   88.937   40.065 -43.15440 44.87821 
1 1 1  -21   22   12 o   88.049   24.270  115.777   55.079  114.952   57.550  124.775  190.025   87.376   25.069   93.290   41.286 -5.913361 48.30073 
1 1 1  -21   22   13 o   44.288   19.440  -2.3746   41.322 -10.5141   42.343  160.349  189.325   42.843   19.190   97.937   42.312 -55.09414 46.46037 
1 1 1  -21   22   14 o  107.322   23.202  168.029   60.369  173.606   63.428  114.348  196.776  108.587   24.027   93.281   41.605 15.30655 48.04441 
1 1 1  -21   22   15 o   65.025   23.046   56.467   46.862   45.659   48.136  252.583  205.041   61.361   23.099  110.739   45.714 -49.37749 51.21850 
1 1 1  -21   22   16 o  138.724   20.621  269.524   69.263  254.686   72.985  403.972  219.696  133.288   22.744  132.360   49.440 0.9284058 54.42063 
1 1 1  -21   22   17 o   76.871   23.682   85.910   49.945   72.872   51.294  323.953  219.179   71.778   24.173  120.365   48.146 -48.58666 53.87344 
1 1 1  -21   22   18 o   33.810   15.929 -33.1598   34.799 -31.7209   35.283 -84.5638  210.885   34.391   16.151   78.371   37.564 -43.98047 40.88926 
1 1 1  -21   22   19 o  126.085   20.848  223.641   63.348  212.090   66.107  353.418  221.587  121.557   22.610  124.540   48.856 -2.983040 53.83381 
1 1 1  -21   22   20 o   91.797   23.047  123.165   52.755  129.816   54.329   13.284  220.807   94.178   23.242   86.676   40.609 7.501976 46.79013 
1 1 1  -21   22   21 o   42.533   18.527  -0.7133   36.905  -1.2195   37.437   16.707  219.616   42.679   18.624   86.685   40.577 -44.00640 44.64699 
1 1 1  -21   22   22 o   66.461   22.708   60.729   45.274   53.997   46.140  234.922  234.705   63.973   22.847  107.745   46.829 -43.77198 52.10543 
1 1 1  -21   22   23 o   86.869   23.089  110.841   50.944  105.043   52.107  236.337  242.420   84.323   23.739  107.371   47.108 -23.04735 52.75117 
1 1 1  -21   22   24 o   53.209   20.759   29.273   39.837   24.540   40.381  201.475  243.573   51.756   20.678  103.306   46.167 -51.55066 50.58628 
1 1 1  -21   22   25 o   60.478   21.662   47.598   41.503   46.343   42.160   86.961  236.123   60.113   21.793   92.289   42.822 -32.17569 48.04868 
1 1 1  -21   22   26 o   44.852   18.964   8.4643   36.581   6.7726   36.968   88.054  253.564   44.527   18.956   92.780   43.484 -48.25332 47.43637 
1 1 1  -21   22   27 o   73.095   22.492   77.985   45.068   72.562   45.775  249.598  257.487   70.805   22.790  105.261   47.223 -34.45607 52.43438 
1 1 1  -21   22   28 o   83.242   22.540  102.827   48.008   99.396   48.805  205.234  266.668   81.666   22.969  100.238   46.153 -18.57212 51.55273 
1 1 1  -21   23   12 o  112.181   23.110  186.488   62.584  152.117   65.499  547.026  212.138   98.843   26.137  151.490   49.092 -52.64708 55.61617 
1 1 1  -21   23   13 o   77.788   24.755   91.128   54.128   85.694   56.015  167.729  210.322   75.702   25.262   96.102   42.927 -20.39945 49.80848 
1 1 1  -21   23   14 o   89.718   24.531  122.145   56.538  129.035   58.788   37.265  206.336   91.973   24.959   84.197   39.386 7.776314 46.62897 
1 1 1  -21   23   15 o   76.224   24.006   86.255   51.006   79.031   52.589  200.825  209.434   73.411   24.476  100.614   43.973 -27.20306 50.32615 
1 1 1  -21   23   16 o  129.640   21.446  240.716   67.000  211.074   70.091  554.725  228.127  119.026   24.401  150.605   50.977 -31.57915 56.51588 
1 1 1  -21   23   17 o  121.075   21.505  210.452   62.637  172.984   65.023  692.995  233.348  107.234   24.780  174.762   50.578 -67.52725 56.32192 
1 1 1  -21   23   18 o   70.943   23.411   72.585   48.156   65.815   49.391  202.876  216.683   68.400   23.703  101.507   44.536 -33.10728 50.45068 
1 1 1  -21   23   19 o  111.460   22.549  181.148   60.607  179.766   62.687  200.934  237.222  110.378   23.466  101.363   45.411 9.014854 51.11529 
1 1 1  -21   23   20 o   42.744   18.812  -3.0721   38.925  -3.5757   39.502   13.784  228.541   42.911   18.915   85.211   40.349 -42.29941 44.56250 
1 1 1  -21   23   21 o   45.012   19.461   3.3116   40.109   5.9612   40.699 -86.1236  236.452   46.013   19.746   79.501   38.519 -33.48717 43.28557 
1 1 1  -21   23   22 o   33.522   15.869 -35.5359   35.302 -35.1834   35.684 -51.7252  241.847   33.824   15.994   81.920   39.511 -48.09571 42.62541 
1 1 1  -21   23   23 o   49.914   20.440   19.477   40.583   23.324   41.122 -124.4877  251.531   51.352   20.743   78.694   38.482 -27.34183 43.71643 
1 1 1  -21   23   24 o  114.680   21.427  189.891   59.104  164.571   60.617  678.347  266.241  105.009   23.681  156.253   54.981 -51.24421 59.86372 
1 1 1  -21   23   25 o   59.622   22.003   45.587   43.253   43.472   43.854  121.172  262.126   58.972   22.077   93.344   43.896 -34.37188 49.13539 
1 1 1  -21   23   26 o   48.289   19.860   17.539   38.515   19.804   38.942 -83.9408  260.692   49.195   20.070   80.442   39.303 -31.24724 44.13047 
1 1 1  -21   24   17 o  106.793   23.822  172.400   61.912  163.086   64.154  298.717  236.253  102.695   25.204  106.808   46.691 -4.113457 53.05972 
1 1 1  -21   24   18 o  112.769   22.746  188.661   61.843  166.765   63.804  528.417  251.333  104.211   24.865  133.290   52.103 -29.07905 57.73228 
1 1 1  -21   24   19 f   74.580   23.747   83.501   49.805   75.817   50.854  264.013  246.488   71.565   24.069  103.104   46.233 -31.53882 52.12306 
1 1 1  -21   24   20 f  117.127   23.368  204.776   65.952  219.431   68.326   4.7642  252.423  121.322   23.401   83.843   40.420 37.47858 46.70504 
1 1 1  -21   24   21 o   47.043   20.206   7.7503   42.686   14.556   43.303 -225.7444  253.654   49.186   20.706   72.588   36.074 -23.40131 41.59410 
1 1 1  -21   24   22 o   59.955   22.178   46.907   43.998   44.453   44.613  134.077  265.895   59.181   22.245   92.309   43.653 -33.12725 48.99457 
1 1 1  -21   24   23 o   70.837   23.593   74.362   48.867   70.194   49.649  203.597  276.445   69.249   23.778   96.840   45.393 -27.59081 51.24321 
1 1 1  -21   24   24 o   50.173   20.655   20.335   41.711   22.587   42.242 -67.6001  263.942   51.066   20.876   79.996   39.182 -28.93011 44.39659 
1 1 1  -20  -33    1 o  144.909   26.603  391.041   92.719   0.0000   0.0000  391.041   92.719  ?   ?   144.909   26.603 0.000000 26.60285 
1 1 1  -20  -33    2 f   67.349   25.508   92.220   58.921   0.0000   0.0000   92.220   58.921  ?   ?    67.349   25.508 0.000000 25.50820 
1 1 1  -20  -32    1 o   49.140   21.628   15.768   51.462  128.682  189.720   6.8005   53.467   73.030   35.165   47.804   21.478 25.22540 41.20530 
1 1 1  -20  -32    2 o   61.503   24.650   63.383   57.578   0.0000   0.0000   63.383   57.578  ?   ?    61.503   24.650 0.000000 24.64991 
1 1 1  -20  -32    3 o   56.566   23.581   48.616   55.328   0.0000   0.0000   48.616   55.328  ?   ?    56.566   23.581 0.000000 23.58065 
1 1 1  -20  -32    4 o   57.305   23.907   54.526   56.932   0.0000   0.0000   54.526   56.932  ?   ?    57.305   23.907 0.000000 23.90713 
1 1 1  -20  -31    1 o   55.227   23.241   32.973   54.520 -103.9288  171.684   48.327   57.496   61.380   30.358   59.776   24.387 1.603504 38.94021 
1 1 1  -20  -31    2 o   35.561   17.195 -53.4082   46.524 -271.7794  169.301 -35.5706   48.387   52.755   26.657   38.951   18.479 13.80418 32.43552 
1 1 1  -20  -31    3 o   61.543   25.124   58.523   61.076   0.0000   0.0000   58.523   61.076  ?   ?    61.543   25.124 0.000000 25.12435 
1 1 1  -20  -31    4 o   63.886   25.283   70.478   59.833   0.0000   0.0000   70.478   59.833  ?   ?    63.886   25.283 0.000000 25.28300 
1 1 1  -20  -31    5 o   72.955   26.833  106.486   64.247   0.0000   0.0000  106.486   64.247  ?   ?    72.955   26.833 0.000000 26.83298 
1 1 1  -20  -31    6 o   93.159   28.425  182.945   72.162   0.0000   0.0000  182.945   72.162  ?   ?    93.159   28.425 0.000000 28.42527 
1 1 1  -20  -30    1 o   92.145   26.635  143.800   64.748  101.204  166.208  151.420   70.302   78.855   36.355   93.226   27.970 -14.37160 45.86931 
1 1 1  -20  -30    2 o   37.315   17.906 -49.8770   48.227  179.964  165.447 -71.2202   50.417   85.970   38.261   35.623   17.378 50.34766 42.02270 
1 1 1  -20  -30    3 o  105.798   25.813  189.165   67.592  212.659  179.732  185.295   72.947   86.858   39.167  102.090   27.844 -15.23212 48.05597 
1 1 1  -20  -30    4 o   46.878   21.335  -4.4801   54.832   0.0000   0.0000  -4.4801   54.832  ?   ?    46.878   21.335 0.000000 21.33511 
1 1 1  -20  -30    5 o   47.805   21.710   0.2145   56.391   0.0000   0.0000   0.2145   56.391  ?   ?    47.805   21.710 0.000000 21.71025 
1 1 1  -20  -30    6 o   77.388   27.797  118.315   68.392   0.0000   0.0000  118.315   68.392  ?   ?    77.388   27.797 0.000000 27.79746 
1 1 1  -20  -30    7 o   39.254   18.681 -32.6747   50.199   0.0000   0.0000 -32.6747   50.199  ?   ?    39.254   18.681 0.000000 18.68062 
1 1 1  -20  -29    1 o   38.163   16.407   3.1968   28.189   50.818  159.448   1.6603   28.640   76.343   35.340   37.927   16.421 38.41600 38.96912 
1 1 1  -20  -29    2 o   42.943   19.976 -27.1615   51.900  107.463  156.744 -43.7383   55.002   81.117   36.578   41.692   19.757 39.42424 41.57256 
1 1 1  -20  -29    3 o   52.163   22.633   15.317   54.634  184.996  162.961  -6.1693   57.990   89.218   38.896   48.833   22.113 40.38447 44.74246 
1 1 1  -20  -29    4 o  138.022   23.880  299.946   79.327  188.955  182.213  325.901   88.116   87.015   39.319  141.459   25.899 -54.44418 47.08229 
1 1 1  -20  -29    5 o  102.634   28.284  187.991   74.816   0.0000   0.0000  187.991   74.816  ?   ?   102.634   28.284 0.000000 28.28393 
1 1 1  -20  -29    6 o  114.590   28.207  235.267   80.173   0.0000   0.0000  235.267   80.173  ?   ?   114.590   28.207 0.000000 28.20731 
1 1 1  -20  -29    7 o   77.878   27.135  112.827   64.770   0.0000   0.0000  112.827   64.770  ?   ?    77.878   27.135 0.000000 27.13457 
1 1 1  -20  -29    8 o   67.775   25.962   82.826   61.470   0.0000   0.0000   82.826   61.470  ?   ?    67.775   25.962 0.000000 25.96193 
1 1 1  -20  -28    1 o  135.931   14.501  248.221   48.462   19.169  159.897  271.389   50.853   75.920   35.231  142.166   14.528 -66.24683 38.10908 
1 1 1  -20  -28    2 o   39.001   16.602   4.8958   28.354 -50.2283  150.728   6.9180   28.869   67.403   32.157   39.982   16.873 27.42063 36.31483 
1 1 1  -20  -28    3 o   60.465   18.541   52.349   30.655  136.683  164.410   49.311   31.202   86.744   38.395   58.919   18.800 27.82457 42.75059 
1 1 1  -20  -28    4 o   72.759   26.348   83.114   61.599   47.387  157.543   89.562   66.928   75.234   34.933   74.783   27.405 0.4510345 44.39980 
1 1 1  -20  -28    5 o   69.573   25.881   74.892   60.083  147.929  147.819   60.438   65.761   85.279   37.115   65.871   26.364 19.40788 45.52501 
1 1 1  -20  -28    6 o  144.937   26.808  346.081   93.454   0.0000   0.0000  346.081   93.454  ?   ?   144.937   26.808 0.000000 26.80807 
1 1 1  -20  -28    7 o   88.253   28.015  139.794   69.357   0.0000   0.0000  139.794   69.357  ?   ?    88.253   28.015 0.000000 28.01532 
1 1 1  -20  -28    8 o   71.590   26.536   88.680   63.053   0.0000   0.0000   88.680   63.053  ?   ?    71.590   26.536 0.000000 26.53630 
1 1 1  -20  -28    9 o   62.771   25.348   61.354   61.382   0.0000   0.0000   61.354   61.382  ?   ?    62.771   25.348 0.000000 25.34760 
1 1 1  -20  -27    1 o  183.805   13.164  443.248   60.021  513.301  172.393  433.584   64.027  165.303   41.751  181.016   14.280 -15.71349 44.12580 
1 1 1  -20  -27    2 o   44.586   17.407   19.165   28.026   71.995  144.898   17.112   28.566   81.743   36.120   43.978   17.449 37.76522 40.11366 
1 1 1  -20  -27    3 o  168.902   17.465  392.418   72.601  525.946  174.156  364.331   79.872  161.977   42.517  160.063   20.450 1.914032 47.17981 
1 1 1  -20  -27    4 o   62.651   18.565   56.007   31.113   90.161  151.600   54.505   31.790   82.254   36.615   61.860   18.865 20.39354 41.18872 
1 1 1  -20  -27    5 o  133.179   14.088  238.944   46.141  100.467  151.607  253.081   48.439   82.226   36.608  136.887   14.386 -54.66067 39.33285 
1 1 1  -20  -27    6 o   60.938   24.785   43.522   59.156   34.160  143.361   45.444   64.942   72.713   33.607   62.554   25.765 10.15846 42.34684 
1 1 1  -20  -27    7 o   63.636   25.295   54.500   60.135   0.0000   0.0000   54.500   60.135  ?   ?    63.636   25.295 0.000000 25.29521 
1 1 1  -20  -27    8 o   52.554   22.981   14.414   57.271   0.0000   0.0000   14.414   57.271  ?   ?    52.554   22.981 0.000000 22.98109 
1 1 1  -20  -27    9 o   60.506   25.029   46.358   61.647   0.0000   0.0000   46.358   61.647  ?   ?    60.506   25.029 0.000000 25.02905 
1 1 1  -20  -27   10 o   71.952   26.795   90.197   64.437   0.0000   0.0000   90.197   64.437  ?   ?    71.952   26.795 0.000000 26.79523 
1 1 1  -20  -26    1 o  137.748   14.086  249.536   47.773   83.465  150.448  268.159   50.380   87.768   37.819  142.717   14.330 -54.94984 40.44255 
1 1 1  -20  -26    2 o   72.539   18.315   73.538   33.183  127.331  143.681   70.508   34.105   92.710   38.269   70.894   18.915 21.81611 42.68841 
1 1 1  -20  -26    3 o  292.455   14.454  1125.60  105.561  1186.96  231.699  1109.53  118.583  267.474   35.571  287.675   16.577 -20.20026 39.24422 
1 1 1  -20  -26    4 o  102.683   19.502  149.023   48.178  151.196  152.424  148.782   50.782   94.098   39.176  101.896   20.664 -7.798592 44.29135 
1 1 1  -20  -26    5 o  133.138   13.873  236.190   45.446  265.238  143.717  232.962   47.904  114.183   40.371  131.639   14.831 -17.45670 43.00938 
1 1 1  -20  -26    6 o  131.665   14.127  232.529   45.721  297.045  147.115  225.631   48.103  118.217   40.911  128.975   15.229 -10.75793 43.65364 
1 1 1  -20  -26    7 o   62.934   24.648   50.693   56.325  148.585  142.222   32.484   61.340   88.916   37.483   59.112   24.751 29.80418 44.91802 
1 1 1  -20  -26    8 o   92.386   28.393  144.834   71.844   0.0000   0.0000  144.834   71.844  ?   ?    92.386   28.393 0.000000 28.39308 
1 1 1  -20  -26    9 o   86.055   28.092  127.110   69.410   0.0000   0.0000  127.110   69.410  ?   ?    86.055   28.092 0.000000 28.09221 
1 1 1  -20  -26   10 o   68.428   26.403   72.322   63.893   0.0000   0.0000   72.322   63.893  ?   ?    68.428   26.403 0.000000 26.40288 
1 1 1  -20  -26   11 o  170.331   26.369  480.210  108.538   0.0000   0.0000  480.210  108.538  ?   ?   170.331   26.369 0.000000 26.36945 
1 1 1  -20  -25    1 o  106.403   28.684  168.562   77.948   0.0000   0.0000  168.562   77.948  ?   ?   106.403   28.684 0.000000 28.68389 
1 1 1  -20  -25    2 o   55.241   18.489   39.265   30.007  -7.1655  134.489   41.698   30.783   74.319   33.663   56.605   18.719 17.71385 38.51764 
1 1 1  -20  -25    3 o  132.056   14.266  229.511   46.298  255.087  148.885  226.773   48.713  119.226   41.162  130.817   15.195 -11.59116 43.87740 
1 1 1  -20  -25    4 o  144.108   14.184  273.672   50.381  124.788  135.443  297.580   54.275   92.143   37.492  150.050   14.673 -57.90712 40.26110 
1 1 1  -20  -25    5 o  133.847   17.300  243.643   56.471  233.192  139.997  245.673   61.714  111.937   39.817  133.273   19.089 -21.33627 44.15597 
1 1 1  -20  -25    6 o   92.961   16.272  118.395   36.399   1.8361  138.018  127.108   37.734   72.709   33.376   96.402   16.253 -23.69301 37.12305 
1 1 1  -20  -25    7 o  150.863   13.932  302.737   51.895  120.349  148.161  328.241   55.405   87.920   37.701  156.880   14.300 -68.95986 40.32167 
1 1 1  -20  -25    8 o   91.900   15.927  116.536   35.226   83.415  141.495  118.724   36.371   80.903   35.724   92.559   16.333 -11.65594 39.28030 
1 1 1  -20  -25    9 o   65.189   25.147   57.346   57.945  226.893  155.988   30.205   62.411  100.944   40.532   58.849   24.821 42.09492 47.52790 
1 1 1  -20  -25   10 o   96.287   28.523  157.506   73.454   0.0000   0.0000  157.506   73.454  ?   ?    96.287   28.523 0.000000 28.52302 
1 1 1  -20  -25   11 o   45.155   21.132 -32.2379   59.506   0.0000   0.0000 -32.2379   59.506  ?   ?    45.155   21.132 0.000000 21.13206 
1 1 1  -20  -25   12 o   50.626   22.905  -2.3923   62.066   0.0000   0.0000  -2.3923   62.066  ?   ?    50.626   22.905 0.000000 22.90540 
1 1 1  -20  -24    1 o  125.588   14.222  205.401   43.817  118.905  135.527  215.498   46.304   96.371   38.079  128.499   14.694 -32.12787 40.81604 
1 1 1  -20  -24    2 o   96.066   29.300  134.922   76.684   0.0000   0.0000  134.922   76.684  ?   ?    96.066   29.300 0.000000 29.30024 
1 1 1  -20  -24    3 o  143.386   13.563  267.263   47.986  325.687  149.989  260.601   50.648  138.927   40.649  141.144   14.580 -2.217194 43.18454 
1 1 1  -20  -24    4 o  111.036   15.270  163.448   41.221  216.750  128.265  157.309   43.530  114.270   38.227  108.331   16.622 5.939331 41.68390 
1 1 1  -20  -24    5 o  152.749   13.514  304.636   51.015  293.568  141.080  306.301   54.717  129.573   39.782  152.658   14.529 -23.08453 42.35208 
1 1 1  -20  -24    6 o  149.908   17.317  303.093   63.632  260.767  147.642  312.749   70.517  119.043   40.996  151.125   19.113 -32.08141 45.23282 
1 1 1  -20  -24    7 o  218.679   13.166  625.213   71.564  648.874  171.693  620.238   78.729  196.887   36.257  216.665   14.637 -19.77812 39.09980 
1 1 1  -20  -24    8 o   87.200   16.474  104.698   34.557   54.998  137.293  108.060   35.707   79.098   35.045   88.479   16.775 -9.380714 38.85265 
1 1 1  -20  -24    9 o   90.488   16.502  113.215   35.916   21.659  140.184  119.646   37.156   74.221   33.908   93.030   16.603 -18.80878 37.75498 
1 1 1  -20  -24   10 o  105.109   26.246  174.137   68.679  188.238  146.285  170.150   77.785   96.889   39.128  101.256   29.172 -4.367645 48.80611 
1 1 1  -20  -24   11 o   97.632   28.625  159.676   74.311   0.0000   0.0000  159.676   74.311  ?   ?    97.632   28.625 0.000000 28.62498 
1 1 1  -20  -24   12 o   91.247   28.614  142.263   72.554   0.0000   0.0000  142.263   72.554  ?   ?    91.247   28.614 0.000000 28.61449 
1 1 1  -20  -24   13 o  156.745   27.180  401.113  102.532   0.0000   0.0000  401.113  102.532  ?   ?   156.745   27.180 0.000000 27.18005 
1 1 1  -20  -23    1 o  184.568   13.431  437.450   61.480  356.779  151.690  453.306   67.251  151.432   39.647  187.486   14.476 -36.05402 42.20735 
1 1 1  -20  -23    2 o  196.706   13.399  497.317   65.425  463.318  159.167  504.230   71.768  173.961   37.726  197.527   14.654 -23.56647 40.47217 
1 1 1  -20  -23    3 o  128.563   28.738  238.913   89.945   0.0000   0.0000  238.913   89.945  ?   ?   128.563   28.738 0.000000 28.73832 
1 1 1  -20  -23    4 o  155.596   14.206  314.503   54.589  159.937  136.091  344.141   59.593  103.935   38.894  162.531   14.847 -58.59671 41.63166 
1 1 1  -20  -23    5 f   42.411   16.499   15.828   25.110 -107.4922  117.415   21.739   25.705   59.712   28.459   45.443   16.924 14.26880 33.11043 
1 1 1  -20  -23    6 o  119.379   14.731  187.786   42.984  184.118  130.289  188.234   45.534  106.701   38.363  119.113   15.690 -12.41280 41.44707 
1 1 1  -20  -23    7 o  176.595   16.173  413.733   70.530  561.542  151.786  373.030   79.651  189.991   33.201  165.333   19.679 24.65797 38.59481 
1 1 1  -20  -23    8 o   49.576   17.397   30.202   26.647   74.603  129.157   28.228   27.233   83.120   35.409   48.778   17.539 34.34188 39.51487 
1 1 1  -20  -23    9 o  123.069   14.578  201.660   43.932  208.721  142.549  200.919   46.180  106.408   39.809  122.383   15.455 -15.97540 42.70386 
1 1 1  -20  -23   10 o   91.733   16.053  115.201   35.434   35.691  137.726  120.837   36.669   76.478   34.405   93.917   16.222 -17.43939 38.03734 
1 1 1  -20  -23   11 o  102.615   26.965  166.182   69.998   45.950  145.783  202.206   79.799   77.602   35.108  112.205   28.442 -34.60283 45.18324 
1 1 1  -20  -23   12 o  166.806   26.239  429.759  105.689   0.0000   0.0000  429.759  105.689  ?   ?   166.806   26.239 0.000000 26.23940 
1 1 1  -20  -23   13 o  162.278   26.673  414.890  104.332   0.0000   0.0000  414.890  104.332  ?   ?   162.278   26.673 0.000000 26.67267 
1 1 1  -20  -22    1 o  105.731   15.665  146.184   40.110  206.521  127.820  139.594   42.244  118.510   38.076  102.864   17.042 15.64647 41.71567 
1 1 1  -20  -22    2 o  150.234   14.268  290.967   52.886  395.547  142.526  274.268   56.952  163.648   35.867  145.248   15.965 18.39998 39.25938 
1 1 1  -20  -22    3 o  354.206   16.136  1618.20  142.725  1470.31  272.152  1674.31  167.625  318.576   34.774  357.811   18.826 -39.23502 39.54341 
1 1 1  -20  -22    4 o  296.199   26.931  1210.83  197.021   0.0000   0.0000  1210.83  197.021  ?   ?   296.199   26.931 0.000000 26.93082 
1 1 1  -20  -22    5 o  301.653   13.607  1167.37  102.498  1321.55  209.935  1119.12  117.448  307.552   27.630  293.407   16.091 14.14508 31.97364 
1 1 1  -20  -22    6 o  112.489   14.802  166.062   40.571   40.768  125.438  180.700   42.876   80.781   34.666  117.351   14.972 -36.56966 37.76108 
1 1 1  -20  -22    7 o   59.173   18.114   46.746   29.273  133.723  120.322   41.273   30.180   96.466   36.472   56.480   18.528 39.98640 40.90838 
1 1 1  -20  -22    8 o   91.614   18.624  115.234   41.156  154.749  125.707  110.490   43.557  100.112   37.397   89.101   20.059 11.01041 42.43741 
1 1 1  -20  -22    9 o   86.433   16.735  101.702   34.816  102.363  128.738  101.650   36.164   88.736   36.380   86.143   17.410 2.592758 40.33100 
1 1 1  -20  -22   10 o   47.070   17.179   25.477   26.261   43.997  130.358   24.693   26.810   78.449   34.478   46.894   17.319 31.55496 38.58384 
1 1 1  -20  -22   11 o   74.446   17.245   77.174   31.430   90.421  138.693   76.457   32.269   85.067   36.477   73.928   17.712 11.13878 40.54961 
1 1 1  -20  -22   12 o  199.752   13.510  526.260   66.995  485.317  183.034  532.593   71.990  152.158   45.014  200.153   14.502 -47.99431 47.29190 
1 1 1  -20  -22   13 o   46.514   21.683 -35.4054   61.652   0.0000   0.0000 -35.4054   61.652  ?   ?    46.514   21.683 0.000000 21.68262 
1 1 1  -20  -22   14 o   78.543   28.841   97.847   74.179   0.0000   0.0000   97.847   74.179  ?   ?    78.543   28.841 0.000000 28.84105 
1 1 1  -20  -22   15 o  152.747   27.493  374.501  101.013   0.0000   0.0000  374.501  101.013  ?   ?   152.747   27.493 0.000000 27.49316 
1 1 1  -20  -21    1 f   84.280   17.940   94.666   36.598  122.395  119.941   91.819   38.431   99.098   36.626   82.768   18.996 16.32962 41.25897 
1 1 1  -20  -21    2 f  216.428   13.331  597.513   71.697  580.720  160.872  601.675   80.091  203.092   32.841  216.617   14.897 -13.52487 36.06176 
1 1 1  -20  -21    3 o  366.613   16.216  1725.81  148.461  1708.19  274.892  1733.07  176.400  350.310   31.769  364.742   19.437 -14.43243 37.24367 
1 1 1  -20  -21    4 o  125.787   13.532  203.916   41.838  282.036  121.840  193.473   44.547  138.167   35.211  122.077   14.923 16.08903 38.24260 
1 1 1  -20  -21    5 o  458.819   36.243  3071.41  411.880   0.0000   0.0000  3071.41  411.880  ?   ?   458.819   36.243 0.000000 36.24340 
1 1 1  -20  -21    6 o  202.906   12.946  527.784   65.255  583.847  154.494  515.610   71.993  201.350   31.780  199.874   14.523 1.476181 34.94166 
1 1 1  -20  -21    7 o  191.682   12.589  471.461   59.923  504.227  148.157  465.052   65.522  184.602   33.367  189.804   13.921 -5.202026 36.15494 
1 1 1  -20  -21    8 f   83.470   16.840   93.910   33.890   35.371  123.046   98.715   35.253   79.330   34.192   85.544   17.101 -6.213783 38.23021 
1 1 1  -20  -21    9 o  150.969   16.420  301.359   60.906  395.013  141.297  279.986   67.499  157.644   36.596  143.996   19.253 13.64732 41.35200 
1 1 1  -20  -21   10 o  109.043   15.151  157.770   40.140   75.228  126.887  166.949   42.313   84.666   35.533  112.054   15.540 -27.38785 38.78255 
1 1 1  -20  -21   11 o  135.205   13.582  239.650   45.237  270.563  145.676  236.350   47.590  122.394   40.734  133.840   14.469 -11.44624 43.22731 
1 1 1  -20  -21   12 o   50.295   17.653   31.373   27.436   39.553  134.778   31.020   28.023   78.175   34.675   50.290   17.822 27.88480 38.98666 
1 1 1  -20  -21   13 o   45.539   17.248   22.140   26.941  137.146  139.031   17.653   27.461   92.035   37.778   43.791   17.192 48.24437 41.50587 
1 1 1  -20  -21   14 o  143.059   27.923  319.201   96.172   0.0000   0.0000  319.201   96.172  ?   ?   143.059   27.923 0.000000 27.92256 
1 1 1  -20  -21   15 o  103.322   30.025  179.044   82.083   0.0000   0.0000  179.044   82.083  ?   ?   103.322   30.025 0.000000 30.02513 
1 1 1  -20  -21   16 o   79.761   29.098  103.088   75.331   0.0000   0.0000  103.088   75.331  ?   ?    79.761   29.098 0.000000 29.09797 
1 1 1  -20  -20    1 o  253.126   13.918  815.534   87.636  691.612  174.858  857.104  101.273  224.017   32.182  258.837   15.743 -34.82018 35.82589 
1 1 1  -20  -20    2 o  203.380   13.010  526.288   65.726  580.043  150.032  513.521   73.116  205.762   30.088  200.366   14.716 5.396301 33.49393 
1 1 1  -20  -20    3 o  369.766   15.970  1748.09  147.459  1653.16  270.809  1788.10  175.808  346.909   31.607  371.735   19.002 -24.82687 36.87981 
1 1 1  -20  -20    4 o  319.046   14.409  1297.31  114.800  1237.85  218.827  1319.90  134.846  300.990   29.493  320.172   16.926 -19.18143 34.00445 
1 1 1  -20  -20    5 o  419.110   16.058  2253.77  168.064  2477.53  311.889  2162.22  199.507  425.253   29.553  407.842   19.589 17.41156 35.45616 
1 1 1  -20  -20    6 f  246.295   15.008  779.844   91.863   0.0000   0.0000  779.844   91.863  ?   ?   246.295   15.008 0.000000 15.00768 
1 1 1  -20  -20    7 o  189.497   12.140  458.476   57.146  680.057  145.486  418.052   62.140  222.389   26.733  180.290   13.910 42.09885 30.13529 
1 1 1  -20  -20    8 o  180.489   12.575  417.528   56.325  561.903  141.292  390.249   61.416  199.289   29.263  173.818   14.275 25.47044 32.55927 
1 1 1  -20  -20    9 o  163.317   12.934  343.472   52.319  342.501  138.668  343.634   56.494  147.925   37.491  162.926   14.022 -15.00093 40.02734 
1 1 1  -20  -20   10 o  256.234   17.110  863.433  108.851  995.194  189.398  798.447  133.013  262.956   29.344  242.217   22.239 20.73862 36.81863 
1 1 1  -20  -20   11 o   64.553   18.440   56.884   31.203   0.0000   0.0000   56.884   31.203  ?   ?    64.553   18.440 0.000000 18.43964 
1 1 1  -20  -20   12 o  138.872   16.990  258.293   57.692  452.240  152.334  225.818   62.335  165.423   37.714  128.011   20.168 37.41232 42.76797 
1 1 1  -20  -20   13 o   55.589   18.324   40.733   29.505 -229.8321  128.872   55.699   30.310   52.575   26.056   63.473   18.188 -10.89812 31.77610 
1 1 1  -20  -20   14 o  125.358   25.012  232.539   75.556  222.715  150.060  235.875   87.449  108.570   40.800  123.015   28.949 -14.44498 50.02708 
1 1 1  -20  -20   15 o  115.678   29.667  215.264   86.111   0.0000   0.0000  215.264   86.111  ?   ?   115.678   29.667 0.000000 29.66702 
1 1 1  -20  -20   16 o   72.936   28.213   74.535   73.096   0.0000   0.0000   74.535   73.096  ?   ?    72.936   28.213 0.000000 28.21290 
1 1 1  -20  -20   17 o  205.902   26.769  657.876  134.384   0.0000   0.0000  657.876  134.384  ?   ?   205.902   26.769 0.000000 26.76896 
1 1 1  -20  -19    1 f  352.673   18.216  1596.63  159.883  1869.38  246.879  1399.60  209.829  376.134   26.452  325.526   26.030 50.60849 37.11189 
1 1 1  -20  -19    2 o  200.352   12.996  510.017   64.671  565.717  145.737  496.360   72.166  204.248   29.422  197.144   14.766 7.103836 32.91970 
1 1 1  -20  -19    3 o  139.824   14.141  250.588   48.697  178.723  117.861  265.382   53.475  113.371   36.577  143.670   15.133 -30.29961 39.58359 
1 1 1  -20  -19    4 o  185.447   12.667  437.397   58.308  448.830  131.290  434.589   65.079  180.629   30.171  184.403   14.243 -3.774155 33.36385 
1 1 1  -20  -19    5 o  143.372   13.567  263.265   47.996  293.370  121.823  257.733   52.220  142.998   34.510  141.448   15.013 1.549759 37.63453 
1 1 1  -20  -19    6 f  237.164   18.886  731.381  110.926  612.001  173.471  813.962  144.279  207.413   34.719  247.577   23.623 -40.16357 41.99382 
1 1 1  -20  -19    7 o  114.104   15.979  169.985   44.280   0.0000   0.0000  169.985   44.280  ?   ?   114.104   15.979 0.000000 15.97861 
1 1 1  -20  -19    8 o   64.265   17.976   55.119   29.977   68.116  113.293   54.140   31.085   85.267   34.435   63.811   18.458 21.45634 39.06990 
1 1 1  -20  -19    9 o  123.361   14.154  197.269   42.813  259.007  126.517  189.285   45.497  130.402   37.089  120.371   15.496 10.03144 40.19575 
1 1 1  -20  -19   10 o  329.599   16.739  1413.90  137.318   0.0000   0.0000  1413.90  137.318  ?   ?   329.599   16.739 0.000000 16.73864 
1 1 1  -20  -19   11 o   87.171   35.553   80.747  122.158   80.747  122.158   0.0000   0.0000   87.171   35.553  ?   ?  0.000000 35.55313 
1 1 1  -20  -19   12 o   85.248   17.471   98.645   35.944   21.120  129.585  105.107   37.412   78.006   34.328   88.000   17.639 -9.994026 38.59420 
1 1 1  -20  -19   13 o  179.885   13.786  421.302   61.456  304.539  153.160  443.709   67.094  131.517   41.619  184.113   14.716 -52.59560 44.14422 
1 1 1  -20  -19   14 o  223.755   12.924  650.000   71.904  859.193  177.600  608.987   78.637  238.210   30.561  215.347   14.711 22.86227 33.91734 
1 1 1  -20  -19   15 o   44.988   21.029 -41.7966   58.632   46.363  134.553 -62.4598   65.142   79.131   34.894   44.922   21.349 34.20847 40.90720 
1 1 1  -20  -19   16 o  211.293   26.187  664.554  135.214   0.0000   0.0000  664.554  135.214  ?   ?   211.293   26.187 0.000000 26.18743 
1 1 1  -20  -19   17 o   82.758   29.479  107.428   76.763   0.0000   0.0000  107.428   76.763  ?   ?    82.758   29.479 0.000000 29.47872 
1 1 1  -20  -19   18 o   58.290   25.575   13.293   71.457   0.0000   0.0000   13.293   71.457  ?   ?    58.290   25.575 0.000000 25.57486 
1 1 1  -20  -18    1 o  284.831   15.679  1033.62  111.091  1450.63  184.410  796.087  139.180  334.377   22.211  247.037   22.819 87.33983 31.84434 
1 1 1  -20  -18    2 o  287.000   13.348  1041.89   95.662  1106.89  181.246  1016.79  112.627  290.081   25.273  282.285   16.044 7.795807 29.93538 
1 1 1  -20  -18    3 o  107.507   15.221  149.588   39.720  118.686  104.244  154.836   42.961   97.279   34.384  109.149   16.258 -11.86986 38.03440 
1 1 1  -20  -18    4 o  150.633   12.814  288.984   47.743  452.620  121.261  258.963   51.939  183.415   27.308  142.044   14.863 41.37106 31.09037 
1 1 1  -20  -18    5 o  125.659   14.117  202.805   43.530  143.084  113.196  213.170   47.157  104.037   35.893  128.654   14.957 -24.61645 38.88470 
1 1 1  -20  -18    6 o  154.678   12.877  305.089   49.288  451.011  122.853  277.096   53.808  182.263   27.878  146.839   14.880 35.42473 31.60068 
1 1 1  -20  -18    7 o  162.355   25.790  356.538  101.062   0.0000   0.0000  356.538  101.062  ?   ?   162.355   25.790 0.000000 25.78965 
1 1 1  -20  -18    8 o  298.517   13.657  1133.73  101.810  1300.61  208.231  1081.31  116.711  310.426   27.135  290.036   16.179 20.39005 31.59171 
1 1 1  -20  -18    9 o  183.275   13.295  429.730   60.434  395.182  143.308  437.204   66.651  164.113   35.962  184.421   14.592 -20.30821 38.80932 
1 1 1  -20  -18   10 o  224.504   13.612  645.747   75.950  604.432  167.456  656.447   85.219  204.426   33.997  225.655   15.212 -21.22881 37.24497 
1 1 1  -20  -18   11 f  141.756   13.424  259.118   46.952  309.676  136.557  252.340   50.000  141.662   37.872  139.484   14.570 2.178329 40.57794 
1 1 1  -20  -18   12 o   97.674   18.259  128.537   42.899  173.238  125.815  122.656   45.634  107.420   37.796   94.773   19.915 12.64712 42.72126 
1 1 1  -20  -18   13 o   65.841   18.661   58.928   32.085 -103.7055  123.544   70.691   33.225   62.150   29.498   71.889   18.423 -9.738892 34.77830 
1 1 1  -20  -18   14 o  118.304   14.320  183.758   41.445  353.537  144.812  168.611   43.254  145.874   39.001  112.662   15.810 33.21196 42.08312 
1 1 1  -20  -18   15 o  111.090   15.025  163.843   40.611   97.088  137.919  170.180   42.495   89.142   37.201  113.062   15.456 -23.91993 40.28435 
1 1 1  -20  -18   16 o  279.109   27.789  1153.55  191.112   0.0000   0.0000  1153.55  191.112  ?   ?   279.109   27.789 0.000000 27.78926 
1 1 1  -20  -18   17 o  164.877   26.782  406.916  106.485   0.0000   0.0000  406.916  106.485  ?   ?   164.877   26.782 0.000000 26.78210 
1 1 1  -20  -18   18 o  107.576   30.375  189.317   85.179   0.0000   0.0000  189.317   85.179  ?   ?   107.576   30.375 0.000000 30.37503 
1 1 1  -20  -18   19 o  110.387   30.742  203.831   87.879   0.0000   0.0000  203.831   87.879  ?   ?   110.387   30.742 0.000000 30.74223 
1 1 1  -20  -17    1 o  269.229   12.720  914.786   85.521  1061.81  168.796  864.010   99.196  285.350   23.909  260.601   15.310 24.74884 28.39052 
1 1 1  -20  -17    2 o  134.180   16.481  232.186   54.061  197.749  106.731  244.070   62.699  119.412   34.101  136.982   18.827 -17.57056 38.95298 
1 1 1  -20  -17    3 o  380.036   15.901  1835.33  150.904  1926.42  272.964  1795.24  181.094  380.863   28.916  373.774   19.469 7.088867 34.85961 
1 1 1  -20  -17    4 o  268.011   13.897  911.770   92.692  903.341  178.034  914.904  108.568  260.544   27.792  267.647   16.322 -7.103058 32.23077 
1 1 1  -20  -17    5 o  167.321   13.208  356.278   54.738  290.355  121.088  373.210   61.366  143.673   34.236  170.947   14.512 -27.27415 37.18527 
1 1 1  -20  -17    6 o  190.981   12.828  463.335   60.825  404.783  132.703  478.908   68.437  170.918   32.275  193.798   14.241 -22.87946 35.27684 
1 1 1  -20  -17    7 o   77.827   17.102   80.360   32.330  223.362  107.756   66.214   33.892  125.652   33.663   70.549   18.870 55.10234 38.59125 
1 1 1  -20  -17    8 o  541.859   40.669  4220.60  546.289   0.0000   0.0000  4220.60  546.289  ?   ?   541.859   40.669 0.000000 40.66916 
1 1 1  -20  -17    9 o  150.797   14.131  291.761   52.592  218.763  139.822  303.790   56.760  122.689   39.863  153.648   14.984 -30.95921 42.58594 
1 1 1  -20  -17   10 o  101.632   18.690  137.467   45.686   70.663  116.767  149.543   49.644   87.153   35.042  105.848   19.500 -18.69485 40.10244 
1 1 1  -20  -17   11 o  297.257   13.672  1127.21  101.487  1185.31  202.981  1107.85  117.186  294.072   27.978  293.110   16.071 0.9627686 32.26545 
1 1 1  -20  -17   12 o  252.082   12.904  812.385   80.958  917.265  176.599  784.479   91.094  257.390   27.923  246.772   14.852 10.61775 31.62721 
1 1 1  -20  -17   13 o  197.002   16.797  507.309   81.842  479.781  154.824  517.984   96.414  178.240   36.023  197.378   19.829 -19.13837 41.12016 
1 1 1  -20  -17   14 o   98.295   15.189  127.652   36.082  310.149  128.721  112.090   37.589  140.852   36.351   91.332   17.110 49.52048 40.17641 
1 1 1  -20  -17   15 o  150.339   14.024  294.402   52.042   95.337  143.158  324.716   55.865   91.459   38.012  157.805   14.333 -66.34534 40.62456 
1 1 1  -20  -17   16 o   98.534   16.181  130.391   38.433  120.009  137.557  131.270   40.027   93.539   37.884   98.590   16.864 -5.051155 41.46838 
1 1 1  -20  -17   17 o  233.459   26.577  793.962  152.182   0.0000   0.0000  793.962  152.182  ?   ?   233.459   26.577 0.000000 26.57741 
1 1 1  -20  -17   18 o  135.109   29.485  283.606   96.684   0.0000   0.0000  283.606   96.684  ?   ?   135.109   29.485 0.000000 29.48461 
1 1 1  -20  -17   19 o  211.475   26.668  671.153  137.699   0.0000   0.0000  671.153  137.699  ?   ?   211.475   26.668 0.000000 26.66768 
1 1 1  -20  -17   20 o   98.550   30.858  162.106   84.412   0.0000   0.0000  162.106   84.412  ?   ?    98.550   30.858 0.000000 30.85763 
1 1 1  -20  -16    1 o  129.775   13.206  214.703   42.200  441.017  110.540  176.093   45.658  182.959   24.836  116.772   16.085 66.18707 29.58985 
1 1 1  -20  -16    2 o  197.486   13.313  494.654   65.271  514.086  131.757  488.334   75.139  196.531   27.608  195.674   15.504 0.8565979 31.66377 
1 1 1  -20  -16    3 o   97.357   17.269  124.058   40.448  233.244  100.172  102.788   44.212  130.142   31.223   87.828   20.527 42.31349 37.36639 
1 1 1  -20  -16    4 o  247.612   13.469  777.130   82.972  816.648  161.137  762.873   96.789  248.782   26.338  244.597   15.933 4.185242 30.78227 
1 1 1  -20  -16    5 o  200.886   12.502  511.273   62.405  586.093  132.529  489.956   70.739  210.496   25.749  196.133   14.547 14.36366 29.57410 
1 1 1  -20  -16    6 o  206.398   13.127  540.639   67.307  571.372  141.026  531.574   76.593  206.543   28.070  204.112   15.135 2.430939 31.88985 
1 1 1  -20  -16    7 o  197.154   12.852  493.411   62.927  513.450  135.921  487.944   70.993  195.066   28.767  195.578   14.642 -0.5127258 32.27877 
1 1 1  -20  -16    8 f  170.121   14.469  369.925   60.884   0.0000   0.0000  369.925   60.884  ?   ?   170.121   14.469 0.000000 14.46898 
1 1 1  -20  -16   10 o  295.428   13.695  1108.56  101.037  1155.27  199.313  1092.41  117.213  293.085   27.556  291.893   16.143 1.191895 31.93678 
1 1 1  -20  -16   11 o  390.043   16.752  1953.08  163.168  1919.79  300.845  1966.96  194.215  371.619   32.754  388.655   20.080 -17.03650 38.41855 
1 1 1  -20  -16   12 o  195.346   12.957  487.345   62.845  587.738  146.559  464.727   69.566  205.889   29.335  190.104   14.770 15.78462 32.84343 
1 1 1  -20  -16   13 o  123.295   14.284  196.957   43.164  360.628  129.022  176.330   45.803  156.952   33.909  115.947   16.267 41.00500 37.60922 
1 1 1  -20  -16   14 o  150.324   16.145  295.206   59.656  417.289  138.459  267.376   66.107  167.811   34.201  141.715   19.172 26.09584 39.20847 
1 1 1  -20  -16   15 o  116.480   14.522  177.311   41.324  240.198  131.354  170.403   43.534  123.061   38.487  113.718   15.754 9.343330 41.58598 
1 1 1  -20  -16   16 o   73.696   17.855   74.212   32.514   65.651  125.858   74.824   33.656   84.321   35.388   73.898   18.328 10.42249 39.85267 
1 1 1  -20  -16   17 o   66.085   18.271   59.952   31.162   60.736  131.880   59.906   32.070   83.364   35.653   66.050   18.634 17.31431 40.22918 
1 1 1  -20  -16   18 o  212.263   26.344  652.965  136.639   0.0000   0.0000  652.965  136.639  ?   ?   212.263   26.344 0.000000 26.34446 
1 1 1  -20  -16   19 o  209.546   26.873  648.888  137.381   0.0000   0.0000  648.888  137.381  ?   ?   209.546   26.873 0.000000 26.87329 
1 1 1  -20  -16   20 o  240.124   27.546  869.403  162.188   0.0000   0.0000  869.403  162.188  ?   ?   240.124   27.546 0.000000 27.54622 
1 1 1  -20  -16   21 o  128.733   31.063  271.474   98.712   0.0000   0.0000  271.474   98.712  ?   ?   128.733   31.063 0.000000 31.06297 
1 1 1  -20  -15    1 o  151.722   12.637  292.101   47.444  334.004  105.654  281.516   53.099  157.934   27.805  148.548   14.499 9.386047 31.35789 
1 1 1  -20  -15    2 o  104.780   15.011  141.656   38.154  229.402   98.677  126.231   41.372  129.409   30.952   98.241   17.506 31.16844 35.55945 
1 1 1  -20  -15    3 o  260.942   13.168  861.452   85.530  739.678  160.481  909.765  101.082  236.443   27.705  267.607   15.189 -31.16344 31.59531 
1 1 1  -20  -15    4 o  180.007   15.171  413.281   67.558  490.339  123.710  380.536   80.645  192.379   26.451  171.596   19.146 20.78264 32.65329 
1 1 1  -20  -15    5 o   92.827   15.479  112.070   34.617  171.321   96.127  103.241   37.107  111.870   32.487   88.597   17.393 23.27353 36.85015 
1 1 1  -20  -15    6 o  246.043   14.065  768.347   86.057  712.323  165.716  789.034  100.699  230.673   29.440  248.657   16.308 -17.98328 33.65461 
1 1 1  -20  -15    7 o  243.784   13.421  753.589   81.388  846.545  165.196  723.793   93.526  253.043   26.538  238.194   15.814 14.84970 30.89229 
1 1 1  -20  -15    8 o  229.876   18.372  680.050  104.579  706.809  157.014  658.714  140.204  230.077   27.899  223.142   25.626 6.934998 37.88212 
1 1 1  -20  -15    9 o  100.065   16.160  130.566   39.003   81.444  108.452  137.863   41.800   89.126   34.396  102.697   16.886 -13.57062 38.31768 
1 1 1  -20  -15   10 o  316.043   27.241  1331.03  212.893   0.0000   0.0000  1331.03  212.893  ?   ?   316.043   27.241 0.000000 27.24135 
1 1 1  -20  -15   11 o  178.842   14.314  409.050   63.390  244.040  137.574  453.526   71.424  129.523   39.188  188.048   15.344 -58.52493 42.08432 
1 1 1  -20  -15   12 o  243.947   13.228  757.706   80.280  892.203  169.980  719.092   91.078  257.399   26.840  236.781   15.489 20.61740 30.98818 
1 1 1  -20  -15   13 o  247.416   14.132  783.026   86.949  599.729  176.405  841.849   99.932  203.590   36.016  255.855   15.717 -52.26443 39.29559 
1 1 1  -20  -15   14 o  176.938   13.479  401.503   59.108  316.686  141.743  419.357   65.032  144.253   38.593  180.462   14.555 -36.20836 41.24592 
1 1 1  -20  -15   15 o  201.683   16.155  528.501   80.681  674.367  157.886  476.949   93.862  218.649   29.684  189.503   20.143 29.14633 35.87327 
1 1 1  -20  -15   16 f  226.650   13.328  660.521   75.105  718.453  170.650  646.604   83.641  222.632   31.580  223.340   15.085 -0.7081757 34.99817 
1 1 1  -20  -15   17 o   83.338   17.813   94.415   35.946  136.105  131.990   91.075   37.358   98.390   37.953   81.542   18.739 16.84716 42.32697 
1 1 1  -20  -15   18 o   85.085   16.820   98.107   34.472  161.137  136.196   93.792   35.632  102.080   38.753   82.824   17.761 19.25641 42.62937 
1 1 1  -20  -15   19 o  229.578   26.817  764.215  150.846   0.0000   0.0000  764.215  150.846  ?   ?   229.578   26.817 0.000000 26.81726 
1 1 1  -20  -15   20 o   57.768   25.522   0.7529   72.315   0.0000   0.0000   0.7529   72.315  ?   ?    57.768   25.522 0.000000 25.52205 
1 1 1  -20  -15   21 o  185.241   27.888  519.191  125.005   0.0000   0.0000  519.191  125.005  ?   ?   185.241   27.888 0.000000 27.88800 
1 1 1  -20  -15   22 o  115.248   31.638  220.529   93.824   0.0000   0.0000  220.529   93.824  ?   ?   115.248   31.638 0.000000 31.63828 
1 1 1  -20  -14    1 o  186.645   12.723  440.949   58.945  478.058  119.000  428.883   67.855  190.626   25.650  183.591   14.930 7.035156 29.67827 
1 1 1  -20  -14    2 o  137.464   13.312  240.515   45.125  304.113  101.802  224.963   50.341  150.517   28.118  132.443   15.515 18.07344 32.11479 
1 1 1  -20  -14    3 o  138.290   13.578  243.620   46.286  206.200  102.631  253.175   51.860  122.498   32.868  140.702   14.991 -18.20424 36.12465 
1 1 1  -20  -14    4 o  117.141   16.400  177.312   46.659  167.487   98.356  180.165   53.002  111.073   33.029  117.534   18.684 -6.461525 37.94738 
1 1 1  -20  -14    5 o  369.677   14.362  1728.12  132.587  1959.35  242.798  1629.86  158.269  387.863   25.204  357.841   17.711 30.02188 30.80521 
1 1 1  -20  -14    6 o  135.115   13.223  232.600   44.042  302.161  109.474  219.168   48.107  148.869   30.474  130.736   15.007 18.13242 33.96908 
1 1 1  -20  -14    7 o  346.204   14.975  1518.51  129.461  1549.06  238.011  1505.68  154.280  342.525   28.073  343.164   18.067 -0.6392517 33.38424 
1 1 1  -20  -14    8 o  253.612   13.879  815.910   87.564  805.799  169.594  819.585  102.246  246.201   28.088  253.453   16.240 -7.252289 32.44472 
1 1 1  -20  -14    9 o  277.841   14.058  979.751   97.217  931.563  186.138  997.827  114.002  264.283   28.664  279.587   16.400 -15.30374 33.02385 
1 1 1  -20  -14   10 o  232.079   13.255  683.455   76.497  593.611  156.657  711.585   87.659  208.923   30.964  236.319   14.931 -27.39671 34.37626 
1 1 1  -20  -14   11 o  256.602   25.655  872.296  162.189   0.0000   0.0000  872.296  162.189  ?   ?   256.602   25.655 0.000000 25.65490 
1 1 1  -20  -14   12 o  181.202   13.545  418.624   60.845  430.059  138.807  415.904   67.696  175.447   32.890  180.132   15.191 -4.685074 36.22922 
1 1 1  -20  -14   13 o  272.857   13.591  945.690   92.606  1127.54  187.824  887.285  106.443  290.366   26.185  262.855   16.297 27.51065 30.84215 
1 1 1  -20  -14   14 o  188.507   13.104  453.657   61.304  616.505  146.698  419.201   67.478  212.090   28.413  180.515   15.108 31.57445 32.17966 
1 1 1  -20  -14   15 o  238.331   13.604  726.630   80.631  714.390  172.013  730.076   91.280  225.229   31.441  238.085   15.436 -12.85558 35.02572 
1 1 1  -20  -14   16 o  313.869   17.513  1282.48  136.721  1637.76  228.022  1083.05  170.837  345.878   26.604  282.961   24.416 62.91675 36.10987 
1 1 1  -20  -14   17 o  273.293   13.849  960.935   94.208  1031.90  197.191  939.948  107.238  269.519   29.797  268.937   16.041 0.5820923 33.84035 
1 1 1  -20  -14   18 o  119.584   15.013  187.721   43.845  323.201  137.897  172.484   46.245  142.010   38.097  113.883   16.763 28.12603 41.62130 
1 1 1  -20  -14   19 o  109.943   15.024  159.762   40.168  231.843  140.008  153.297   41.931  117.533   39.935  107.207   16.165 10.32542 43.08241 
1 1 1  -20  -14   20 o  131.443   30.400  264.477   97.795   0.0000   0.0000  264.477   97.795  ?   ?   131.443   30.400 0.000000 30.39970 
1 1 1  -20  -14   21 o  218.013   27.051  699.044  144.105   0.0000   0.0000  699.044  144.105  ?   ?   218.013   27.051 0.000000 27.05072 
1 1 1  -20  -14   22 o   74.400   29.442   69.981   81.131   0.0000   0.0000   69.981   81.131  ?   ?    74.400   29.442 0.000000 29.44194 
1 1 1  -20  -14   23 o  141.653   30.797  322.120  105.833   0.0000   0.0000  322.120  105.833  ?   ?   141.653   30.797 0.000000 30.79698 
1 1 1  -20  -13    1 o  247.706   13.472  775.928   83.020  721.466  153.970  798.252   98.577  234.494   26.774  250.659   15.830 -16.16508 31.10338 
1 1 1  -20  -13    2 o  159.893   12.783  324.104   50.612  388.907  106.719  305.298   57.489  171.700   25.678  154.692   15.074 17.00761 29.77571 
1 1 1  -20  -13    3 o  142.220   13.090  257.079   45.966  237.714  101.614  262.061   51.541  131.908   31.316  143.298   14.608 -11.39008 34.55565 
1 1 1  -20  -13    4 o  324.980   13.407  1332.31  108.800  1607.10  203.380  1222.14  128.776  352.639   23.225  309.953   16.699 42.68539 28.60562 
1 1 1  -20  -13    5 o  102.786   17.116  137.585   42.387  173.941   95.190  128.593   47.339  113.010   32.181   98.667   19.900 14.34239 37.83657 
1 1 1  -20  -13    6 o  183.363   14.641  427.822   66.483   0.0000   0.0000  427.822   66.483  ?   ?   183.363   14.641 0.000000 14.64149 
1 1 1  -20  -13    7 o  156.640   31.351  334.719  118.352  334.719  118.352   0.0000   0.0000  156.640   31.351  ?   ?  0.000000 31.35095 
1 1 1  -20  -13    8 o  475.344   17.291  2875.04  205.243  3434.91  369.602  2625.42  246.792  510.168   29.132  451.705   21.879 58.46341 36.43326 
1 1 1  -20  -13    9 o  387.080   15.175  1899.25  146.678  2219.60  270.760  1766.19  174.502  411.453   26.493  371.307   18.882 40.14548 32.53312 
1 1 1  -20  -13   10 o  355.626   16.056  1607.19  142.588  1595.57  260.964  1612.13  170.248  345.422   30.569  354.308   19.315 -8.885712 36.16021 
1 1 1  -20  -13   11 o  233.223   18.785  700.701  108.478  695.921  166.792  704.206  142.808  227.116   30.154  231.055   25.157 -3.939270 39.27042 
1 1 1  -20  -13   12 o  233.053   25.459  719.246  145.758   0.0000   0.0000  719.246  145.758  ?   ?   233.053   25.459 0.000000 25.45944 
1 1 1  -20  -13   13 o  456.599   17.781  2671.99  202.745  2662.17  366.487  2676.32  243.380  440.517   33.568  454.309   21.453 -13.79141 39.83763 
1 1 1  -20  -13   14 o  184.705   13.817  435.699   63.268  425.028  144.401  438.234   70.383  172.929   34.646  184.752   15.396 -11.82312 37.91280 
1 1 1  -20  -13   15 o  259.346   12.780  853.771   82.771  1164.26  177.093  766.987   93.626  295.875   24.180  244.458   15.416 51.41652 28.67621 
1 1 1  -20  -13   16 o  184.691   14.156  437.967   64.792  288.728  144.619  475.446   72.473  137.604   39.815  192.064   15.236 -54.45993 42.63079 
1 1 1  -20  -13   17 o  256.694   13.821  845.016   88.269  901.993  185.269  828.285  100.396  253.628   29.821  253.021   15.971 0.6072998 33.82887 
1 1 1  -20  -13   18 o  218.707   13.043  613.853   70.912  822.341  167.046  568.023   78.320  242.135   28.152  209.404   15.078 32.73055 31.93577 
1 1 1  -20  -13   19 o  248.279   13.526  794.687   83.543  1162.06  191.391  708.213   92.857  287.723   26.952  232.837   16.069 54.88669 31.37827 
1 1 1  -20  -13   20 o  213.292   14.197  591.386   75.187  689.123  177.936  570.141   82.957  211.318   34.940  208.260   16.076 3.058823 38.46088 
1 1 1  -20  -13   21 o  204.559   27.229  607.710  135.635   0.0000   0.0000  607.710  135.635  ?   ?   204.559   27.229 0.000000 27.22863 
1 1 1  -20  -13   22 o   71.456   28.997   54.482   80.758   0.0000   0.0000   54.482   80.758  ?   ?    71.456   28.997 0.000000 28.99730 
1 1 1  -20  -13   23 o   94.092   32.107  142.107   90.504   0.0000   0.0000  142.107   90.504  ?   ?    94.092   32.107 0.000000 32.10720 
1 1 1  -20  -13   24 o  108.345   32.779  197.568   96.260   0.0000   0.0000  197.568   96.260  ?   ?   108.345   32.779 0.000000 32.77943 
1 1 1  -20  -12    1 o  220.418   12.948  614.032   70.955  667.849  135.386  593.651   83.314  226.597   24.305  216.140   15.540 10.45715 28.84841 
1 1 1  -20  -12    2 o  245.727   13.610  763.645   83.189  655.308  152.833  809.256   99.167  222.919   28.078  252.428   15.812 -29.50925 32.22375 
1 1 1  -20  -12    3 o  107.006   14.572  147.177   37.926  205.628   91.097  134.921   41.713  123.037   29.935  101.851   17.000 21.18652 34.42484 
1 1 1  -20  -12    4 o  127.946   13.839  208.885   43.513  166.402   96.838  219.632   48.707  110.995   32.715  130.957   15.175 -19.96165 36.06316 
1 1 1  -20  -12    5 o  262.682   13.582  872.734   88.791  914.633  171.480  857.385  103.788  264.401   26.322  259.688   16.084 4.713043 30.84662 
1 1 1  -20  -12    6 o  471.999   34.835  2988.01  407.691  2988.01  407.691   0.0000   0.0000  471.999   34.835  ?   ?  0.000000 34.83535 
1 1 1  -20  -12    7 o  270.914   12.866  925.325   87.044  1088.38  167.892  865.385  101.793  289.758   23.403  260.929   15.695 28.82816 28.17848 
1 1 1  -20  -12    8 o  140.521   13.003  251.130   45.111  313.981  109.249  238.210   49.531  152.249   29.802  136.460   14.771 15.78938 33.26151 
1 1 1  -20  -12    9 o  344.052   14.202  1496.57  122.016  1801.13  228.817  1375.56  144.234  372.022   24.772  328.292   17.659 43.73080 30.42156 
1 1 1  -20  -12   10 o  185.121   13.151  434.769   60.398  514.954  132.639  413.793   67.840  196.600   27.792  180.088   15.228 16.51160 31.69011 
1 1 1  -20  -12   11 o  197.858   12.910  496.318   63.438  550.745  137.082  481.486   71.561  203.245   27.733  194.389   14.854 8.856140 31.46069 
1 1 1  -20  -12   12 o  149.072   28.405  301.567  101.881   0.0000   0.0000  301.567  101.881  ?   ?   149.072   28.405 0.000000 28.40540 
1 1 1  -20  -12   13 o  316.455   14.415  1270.12  113.916  1195.61  218.144  1298.06  133.576  298.460   29.662  318.597   16.849 -20.13684 34.11338 
1 1 1  -20  -12   14 o  247.400   14.000  778.872   86.138  761.287  175.226  784.475   98.915  236.655   30.350  247.549   16.088 -10.89415 34.35038 
1 1 1  -20  -12   15 o  288.967   14.056  1061.16  101.430  1050.75  200.541  1064.73  117.579  278.362   29.289  288.110   16.410 -9.747772 33.57311 
1 1 1  -20  -12   16 o  206.401   13.040  543.028   66.864  629.058  154.182  523.100   74.205  213.720   29.691  201.964   14.817 11.75597 33.18307 
1 1 1  -20  -12   17 o  213.024   16.797  587.805   88.628  581.669  162.175  590.418  105.829  201.898   33.329  211.795   20.257 -9.896729 39.00220 
1 1 1  -20  -12   18 f  177.005   14.212  403.536   62.289  458.781  149.542  391.940   68.515  176.356   35.190  173.734   15.971 2.622284 38.64454 
1 1 1  -20  -12   19 o  273.268   14.514  962.848   98.689  998.974  206.407  952.142  112.365  263.115   32.078  270.348   16.726 -7.232727 36.17709 
1 1 1  -20  -12   20 o  332.102   15.369  1429.67  127.456  1484.99  253.302  1410.91  147.487  318.206   32.326  327.159   18.124 -8.953217 37.05995 
1 1 1  -20  -12   21 o  176.400   13.759  404.123   60.130  445.288  159.951  397.348   64.890  164.527   39.443  174.247   15.061 -9.720490 42.22097 
1 1 1  -20  -12   22 o  157.763   28.599  368.695  108.521   0.0000   0.0000  368.695  108.521  ?   ?   157.763   28.599 0.000000 28.59924 
1 1 1  -20  -12   23 o  156.543   29.582  372.336  111.402   0.0000   0.0000  372.336  111.402  ?   ?   156.543   29.582 0.000000 29.58162 
1 1 1  -20  -12   24 o  169.179   30.101  442.252  122.509   0.0000   0.0000  442.252  122.509  ?   ?   169.179   30.101 0.000000 30.10150 
1 1 1  -20  -12   25 o  163.506   30.102  419.613  118.380   0.0000   0.0000  419.613  118.380  ?   ?   163.506   30.102 0.000000 30.10221 
1 1 1  -20  -11    1 o  240.779   9.6082  727.283   57.772  706.549   81.559  748.162   81.845  236.325   13.881  243.286   13.525 -6.961105 19.38071 
1 1 1  -20  -11    2 o  293.838   12.530  1086.80   91.945  1275.02  172.085  1011.60  108.772  314.920   22.021  282.486   15.478 32.43448 26.91650 
1 1 1  -20  -11    3 o  194.091   12.525  476.149   60.382  423.554  118.734  494.496   70.127  178.864   27.460  197.448   14.320 -18.58400 30.96995 
1 1 1  -20  -11    4 o  595.312   22.368  4542.66  332.527  4660.07  581.912  4485.74  405.203  585.451   40.043  587.594   27.615 -2.142456 48.64217 
1 1 1  -20  -11    5 o  118.247   14.115  178.881   40.857  199.415   96.599  174.408   45.088  120.937   31.627  116.356   15.936 4.580070 35.41531 
1 1 1  -20  -11    6 o  258.620   16.678  851.256  107.138  804.016  166.353  884.739  140.050  247.379   27.388  262.027   21.596 -14.64777 34.87849 
1 1 1  -20  -11    7 o  149.017   13.298  282.176   48.966  269.657  108.173  285.402   54.914  140.540   31.591  149.543   14.903 -9.003113 34.93010 
1 1 1  -20  -11    8 o  590.415   18.931  4442.44  279.115  5461.37  495.662  3969.32  337.756  643.954   30.823  554.393   24.397 89.56134 39.31021 
1 1 1  -20  -11    9 o  115.555   15.035  171.674   42.358  231.912  106.246  160.290   46.187  129.780   32.776  111.098   17.204 18.68209 37.01653 
1 1 1  -20  -11   10 o  514.141   18.858  3372.33  242.119  3560.82  430.255  3284.98  292.896  515.654   33.597  504.659   23.242 10.99542 40.85212 
1 1 1  -20  -11   11 o  269.339   12.927  915.365   86.945  1113.67  172.840  848.183  100.601  292.555   23.866  258.180   15.678 34.37436 28.55522 
1 1 1  -20  -11   12 o  306.605   13.938  1188.86  106.718  1379.10  205.982  1119.06  124.770  324.482   25.629  296.117   16.943 28.36575 30.72362 
1 1 1  -20  -11   13 o  207.864   25.807  571.874  131.077   0.0000   0.0000  571.874  131.077  ?   ?   207.864   25.807 0.000000 25.80735 
1 1 1  -20  -11   14 o  238.825   13.642  724.325   81.020  750.864  168.293  716.319   92.438  236.412   29.122  236.849   15.718 -0.4370575 33.09334 
1 1 1  -20  -11   15 o  309.336   13.891  1213.46  107.302  1411.39  210.521  1143.99  124.719  326.487   26.038  298.859   16.779 27.62787 30.97609 
1 1 1  -20  -11   16 o  343.623   14.592  1502.32  125.215  1646.05  240.294  1448.74  146.707  350.428   27.685  335.620   17.566 14.80862 32.78741 
1 1 1  -20  -11   17 o  120.862   15.087  189.196   44.543  223.223  130.253  184.690   47.401  123.539   38.274  119.018   16.383 4.521217 41.63311 
1 1 1  -20  -11   18 o  250.084   17.195  810.112  106.730  860.506  185.624  785.223  130.450  248.604   30.543  243.651   21.666 4.953247 37.44696 
1 1 1  -20  -11   19 o  456.809   17.897  2710.66  204.152  2874.08  375.327  2642.00  243.291  447.853   33.809  446.806   21.805 1.046967 40.23086 
1 1 1  -20  -11   20 o  263.912   14.271  897.245   93.700  987.394  199.855  871.846  106.082  262.647   31.074  258.808   16.500 3.839417 35.18256 
1 1 1  -20  -11   21 f  194.727   13.644  489.838   65.927  506.895  163.031  486.504   72.084  180.258   37.442  193.367   15.047 -13.10953 40.35208 
1 1 1  -20  -11   22 o  125.604   14.975  207.539   46.043  135.723  148.078  215.225   48.444   98.553   39.519  127.708   15.509 -29.15515 42.45359 
1 1 1  -20  -11   23 o  232.156   27.600  782.955  156.873   0.0000   0.0000  782.955  156.873  ?   ?   232.156   27.600 0.000000 27.60023 
1 1 1  -20  -11   24 o  239.095   27.830  843.099  163.057   0.0000   0.0000  843.099  163.057  ?   ?   239.095   27.830 0.000000 27.83049 
1 1 1  -20  -11   25 o  232.801   28.598  816.459  162.758   0.0000   0.0000  816.459  162.758  ?   ?   232.801   28.598 0.000000 28.59819 
1 1 1  -20  -11   26 o  103.614   33.706  182.223   99.957   0.0000   0.0000  182.223   99.957  ?   ?   103.614   33.706 0.000000 33.70634 
1 1 1  -20  -10    1 o  284.403   11.982  1017.15   85.096  1026.80  120.202  1007.45  120.487  284.241   17.013  281.479   17.224 2.762054 24.20968 
1 1 1  -20  -10    2 o  183.678   10.280  424.783   46.961  396.507   66.226  453.381   66.601  176.557   15.168  189.081   14.209 -12.52376 20.78391 
1 1 1  -20  -10    3 o  255.700   10.449  820.890   66.720  832.442   94.837  809.568   93.884  256.351   14.879  252.778   14.939 3.573318 21.08465 
1 1 1  -20  -10    4 f  364.534   18.041  1686.99  164.231   0.0000   0.0000  1686.99  164.231  ?   ?   364.534   18.041 0.000000 18.04118 
1 1 1  -20  -10    5 o  228.962   25.645  684.494  144.108  684.494  144.108   0.0000   0.0000  228.962   25.645  ?   ?  0.000000 25.64479 
1 1 1  -20  -10    6 o  424.833   16.413  2285.74  174.124  2573.14  310.035  2153.31  210.449  443.966   28.110  410.716   20.519 33.25037 34.80214 
1 1 1  -20  -10    7 o  282.891   15.467  1015.05  108.849  1320.54  171.285  808.112  140.975  320.548   21.523  249.948   22.838 70.59981 31.38203 
1 1 1  -20  -10    8 o  147.329   13.530  275.991   49.221  302.280  108.575  269.191   55.221  149.518   30.121  145.083   15.481 4.434616 33.86610 
1 1 1  -20  -10    9 o  180.581   12.044  412.287   53.999  535.487  120.785  381.512   60.367  202.402   24.388  173.279   14.073 29.12297 28.15722 
1 1 1  -20  -10   10 o  188.468   12.652  449.599   59.200  588.566  128.578  412.215   66.690  212.081   24.743  179.927   14.979 32.15434 28.92380 
1 1 1  -20  -10   11 o  298.716   13.853  1126.99  103.336  1278.02  197.230  1069.84  121.321  312.979   25.456  289.793   16.837 23.18521 30.52039 
1 1 1  -20  -10   12 o  239.046   12.690  722.613   75.481  963.508  155.930  648.892   86.261  272.395   23.143  225.806   15.389 46.58884 27.79237 
1 1 1  -20  -10   13 o  506.597   18.441  3275.55  233.296  3464.29  417.075  3189.60  281.444  508.082   33.052  497.154   22.670 10.92804 40.07950 
1 1 1  -20  -10   14 o  178.345   27.179  425.285  117.219   0.0000   0.0000  425.285  117.219  ?   ?   178.345   27.179 0.000000 27.17924 
1 1 1  -20  -10   15 o  166.651   13.602  353.754   56.113  297.638  131.311  366.291   62.066  144.793   36.366  169.287   14.831 -24.49413 39.27386 
1 1 1  -20  -10   16 o  280.288   13.216  994.729   92.501  1199.05  187.644  929.137  106.317  301.404   25.161  269.631   15.860 31.77347 29.74223 
1 1 1  -20  -10   17 o  104.299   16.167  142.006   40.744  175.817  121.182  137.697   43.263  112.384   37.140  102.288   17.570 10.09638 41.08622 
1 1 1  -20  -10   18 o  253.736   13.656  821.054   86.208  1033.64  182.503  759.996   97.807  277.019   26.713  243.051   16.208 33.96815 31.24553 
1 1 1  -20  -10   19 o  421.922   21.086  2333.58  222.161  2624.32  337.820  2112.02  294.901  434.360   31.356  390.613   30.474 43.74622 43.72443 
1 1 1  -20  -10   20 o  159.328   14.091  327.250   55.487  466.642  148.406  304.598   59.826  178.346   34.570  153.021   15.888 25.32504 38.04647 
1 1 1  -20  -10   21 o  277.431   14.018  990.382   96.804  1161.15  205.790  941.857  109.698  287.069   29.110  269.066   16.405 18.00327 33.41381 
1 1 1  -20  -10   22 o  216.908   13.286  606.376   71.619  903.956  177.310  548.361   78.289  251.728   28.721  205.137   15.395 46.59082 32.58680 
1 1 1  -20  -10   23 o  187.526   14.164  457.502   65.839  462.403  173.255  456.675   71.179  164.800   41.982  186.674   15.407 -21.87416 44.71999 
1 1 1  -20  -10   24 o  177.195   28.958  464.813  123.707   0.0000   0.0000  464.813  123.707  ?   ?   177.195   28.958 0.000000 28.95765 
1 1 1  -20  -10   25 o   91.392   32.518  128.052   93.382   0.0000   0.0000  128.052   93.382  ?   ?    91.392   32.518 0.000000 32.51791 
1 1 1  -20  -10   26 o   74.302   30.468   61.301   90.323   0.0000   0.0000   61.301   90.323  ?   ?    74.302   30.468 0.000000 30.46826 
1 1 1  -20  -10   27 o  226.165   29.403  789.268  162.132   0.0000   0.0000  789.268  162.132  ?   ?   226.165   29.403 0.000000 29.40285 
1 1 1  -20   -9    1 o  343.184   12.717  1482.11  108.985  1494.65  154.213  1469.60  154.043  342.816   18.078  339.877   18.216 2.938568 25.66386 
1 1 1  -20   -9    2 o  252.156   10.851  798.476   68.325  780.592   96.777  816.249   96.475  248.060   15.704  253.785   15.294 -5.724640 21.92116 
1 1 1  -20   -9    3 o  317.126   12.170  1264.91   96.379  1277.07  137.218  1253.07  135.402  316.989   17.401  314.008   17.335 2.981171 24.56210 
1 1 1  -20   -9    4 o  169.013   13.408  362.066   56.126  395.048   65.265  268.418  109.975  176.276   14.968  140.476   32.057 35.79991 35.37955 
1 1 1  -20   -9    5 o  334.321   12.724  1407.02  106.225  1424.03  150.704  1390.21  149.750  334.479   18.110  330.434   18.219 4.044952 25.68848 
1 1 1  -20   -9    6 o  172.274   12.606  375.538   53.856  433.738  111.706  357.912   61.472  181.854   25.282  167.729   14.829 14.12502 29.31019 
1 1 1  -20   -9    7 o  154.206   15.201  303.294   57.775  334.413  104.806  289.709   69.247  158.542   27.467  149.808   18.933 8.734360 33.36039 
1 1 1  -20   -9    8 o  327.753   17.221  1366.04  140.450  1574.45  212.643  1204.75  187.060  348.750   24.574  304.763   24.794 43.98737 34.90874 
1 1 1  -20   -9    9 o  125.304   13.652  200.302   42.028  217.738   98.815  196.451   46.437  126.309   31.449  123.731   15.360 2.577904 34.99964 
1 1 1  -20   -9   10 o  250.172   12.487  788.253   78.011  977.243  155.101  724.251   90.259  274.940   22.796  238.839   15.213 36.10071 27.40600 
1 1 1  -20   -9   11 o  274.898   14.045  956.654   96.096  969.619  181.714  951.620  113.224  271.796   27.135  273.413   16.663 -1.616455 31.84305 
1 1 1  -20   -9   12 o  180.393   12.994  412.439   58.142  449.300  127.017  402.668   65.396  183.412   28.671  177.824   14.863 5.587418 32.29440 
1 1 1  -20   -9   13 o  135.025   13.904  232.695   46.212  352.813  119.346  211.508   50.122  161.169   30.776  128.199   16.005 32.96954 34.68899 
1 1 1  -20   -9   14 o  124.169   30.847  211.880   95.220   0.0000   0.0000  211.880   95.220  ?   ?   124.169   30.847 0.000000 30.84672 
1 1 1  -20   -9   15 o  439.859   33.221  2609.94  362.215   0.0000   0.0000  2609.94  362.215  ?   ?   439.859   33.221 0.000000 33.22140 
1 1 1  -20   -9   16 o  293.618   14.016  1092.07  102.767  1229.08  201.446  1043.86  119.484  304.814   26.735  285.704   16.821 19.11035 31.58681 
1 1 1  -20   -9   17 o  132.070   14.471  223.964   46.946  300.242  127.276  211.952   50.507  145.264   35.408  128.000   16.161 17.26378 38.92227 
1 1 1  -20   -9   18 o  162.355   13.306  336.472   53.473  481.530  139.877  311.644   57.869  186.567   31.120  155.725   15.070 30.84288 34.57628 
1 1 1  -20   -9   19 o  358.995   15.431  1647.72  138.339  1855.89  263.043  1568.13  162.650  369.655   28.721  347.805   18.797 21.85056 34.32526 
1 1 1  -20   -9   20 o  276.132   16.669  985.201  114.402  1328.29  201.698  822.471  138.908  313.553   25.994  248.707   22.613 64.84637 34.45353 
1 1 1  -20   -9   21 o  173.784   13.650  388.276   58.762  514.422  152.413  366.251   63.686  188.008   33.702  168.120   15.338 19.88844 37.02788 
1 1 1  -20   -9   22 o  187.470   13.905  453.385   64.631  506.083  162.174  443.435   70.469  182.201   36.909  184.716   15.418 -2.514816 39.99945 
1 1 1  -20   -9   23 o   67.242   18.664   61.573   32.448  196.408  138.582   53.753   33.376  111.560   39.622   63.305   19.335 48.25455 44.08813 
1 1 1  -20   -9   24 o   98.882   33.197  148.589   96.737   0.0000   0.0000  148.589   96.737  ?   ?    98.882   33.197 0.000000 33.19691 
1 1 1  -20   -9   25 o  162.930   30.509  400.966  119.568   0.0000   0.0000  400.966  119.568  ?   ?   162.930   30.509 0.000000 30.50878 
1 1 1  -20   -9   26 o  117.413   33.546  223.885  103.262   0.0000   0.0000  223.885  103.262  ?   ?   117.413   33.546 0.000000 33.54639 
1 1 1  -20   -9   27 o  149.505   32.482  357.475  117.800   0.0000   0.0000  357.475  117.800  ?   ?   149.505   32.482 0.000000 32.48182 
1 1 1  -20   -8    1 o   84.444   12.833   91.725   26.210   86.356   35.726   97.983   38.570   80.978   18.120   86.296   18.457 -5.317543 25.86462 
1 1 1  -20   -8    2 o  301.583   11.790  1143.21   88.788  1163.17  125.587  1123.26  125.545  302.762   16.675  297.421   16.974 5.340729 23.79441 
1 1 1  -20   -8    3 o  324.201   12.291  1321.95   99.506  1320.11  140.575  1323.80  140.872  322.311   17.531  322.759   17.544 -0.4473267 24.80217 
1 1 1  -20   -8    4 o  255.358   10.951  818.949   69.835  774.987   98.124  864.071   99.411  247.100   15.988  261.140   15.311 -14.03976 22.13684 
1 1 1  -20   -8    5 o  185.537   10.301  433.379   47.537  413.206   66.990  453.841   67.467  180.313   15.014  189.156   14.391 -8.843231 20.79724 
1 1 1  -20   -8    6 o   97.177   11.924  120.489   28.328  143.586   39.602   96.288   40.538  105.526   15.489   85.363   19.451 20.16305 24.86434 
1 1 1  -20   -8    7 o  238.909   13.657  721.695   81.141  744.049  151.950  712.778   95.970  238.827   25.893  236.789   16.330 2.037476 30.61220 
1 1 1  -20   -8    8 o  427.260   20.271  2327.68  216.285  2600.54  316.107  2087.50  296.572  446.310   28.512  398.754   30.003 47.55588 41.38971 
1 1 1  -20   -8    9 o  135.431   13.220  233.253   44.138  423.704  103.394  190.810   48.809  180.219   23.536  121.694   16.486 58.52477 28.73581 
1 1 1  -20   -8   10 o  313.308   14.709  1239.91  115.078  1214.84  209.810  1250.70  137.627  304.496   27.903  313.403   17.657 -8.907104 33.02057 
1 1 1  -20   -8   11 o  431.929   16.207  2363.21  174.808  2644.67  314.331  2237.18  210.335  449.741   28.130  418.637   20.120 31.10309 34.58434 
1 1 1  -20   -8   12 o  313.225   13.477  1237.64  105.411  1412.97  199.981  1170.19  124.042  330.029   24.439  303.393   16.434 26.63599 29.45053 
1 1 1  -20   -8   13 o  337.781   14.734  1442.76  124.283  1421.50  229.095  1451.63  147.946  328.798   28.174  337.473   17.617 -8.674988 33.22845 
1 1 1  -20   -8   14 o  273.769   13.837  949.098   94.290  1034.21  184.492  919.009  109.698  280.679   26.641  268.612   16.433 12.06638 31.30171 
1 1 1  -20   -8   15 o  528.478   38.538  3834.65  505.088   0.0000   0.0000  3834.65  505.088  ?   ?   528.478   38.538 0.000000 38.53836 
1 1 1  -20   -8   16 o  139.905   14.187  250.194   48.878  363.188  129.071  231.277   52.811  162.147   32.999  134.003   16.105 28.14461 36.71892 
1 1 1  -20   -8   17 o  211.269   13.401  566.906   70.337  569.458  153.334  566.225   79.156  204.597   30.981  210.650   15.149 -6.052826 34.48643 
1 1 1  -20   -8   18 o  355.541   15.360  1608.70  136.373  1681.20  257.371  1580.40  160.802  353.727   29.403  350.504   18.436 3.222504 34.70517 
1 1 1  -20   -8   19 o  340.074   14.587  1471.98  123.880  1719.12  240.635  1382.87  144.499  358.462   27.082  327.705   17.724 30.75702 32.36604 
1 1 1  -20   -8   20 o  143.628   16.684  268.118   58.726  309.038  136.665  258.851   65.036  144.595   37.524  140.267   19.061 4.328033 42.08754 
1 1 1  -20   -8   21 o  172.244   13.489  380.356   57.555  663.121  151.538  332.690   62.217  219.225   28.345  160.254   15.751 58.97101 32.42691 
1 1 1  -20   -8   22 o   92.523   17.047  114.058   37.935  186.092  133.174  107.696   39.575  112.049   38.916   89.456   18.332 22.59243 43.01756 
1 1 1  -20   -8   23 o  142.118   13.853  261.578   48.539  322.884  146.996  254.075   51.423  142.043   39.831  139.627   14.982 2.415848 42.55603 
1 1 1  -20   -8   24 o  144.408   15.032  272.778   53.412  158.965  151.244  288.995   57.091  104.139   40.499  148.406   15.641 -44.26755 43.41385 
1 1 1  -20   -8   25 o  239.353   28.206  827.779  165.352   0.0000   0.0000  827.779  165.352  ?   ?   239.353   28.206 0.000000 28.20588 
1 1 1  -20   -8   26 o  152.057   31.884  356.360  117.201   0.0000   0.0000  356.360  117.201  ?   ?   152.057   31.884 0.000000 31.88420 
1 1 1  -20   -8   27 o  115.689   34.522  220.465  107.308   0.0000   0.0000  220.465  107.308  ?   ?   115.689   34.522 0.000000 34.52173 
1 1 1  -20   -8   28 o   96.946   35.392  154.795  111.472   0.0000   0.0000  154.795  111.472  ?   ?    96.946   35.392 0.000000 35.39197 
1 1 1  -20   -7    1 f  151.275   10.727  288.689   40.258  309.430   55.936  266.400   57.987  155.999   14.526  144.271   16.386 11.72821 21.89735 
1 1 1  -20   -7    2 o  479.944   22.361  2943.95  267.995   0.0000   0.0000  2943.95  267.995  ?   ?   479.944   22.361 0.000000 22.36071 
1 1 1  -20   -7    3 o  319.139   15.448  1286.11  123.116  1286.11  123.116   0.0000   0.0000  319.139   15.448  ?   ?  0.000000 15.44844 
1 1 1  -20   -7    4 o   86.467   12.906   96.115   27.014  118.781   37.136   70.642   39.368   95.682   16.115   73.440   20.620 22.24182 26.17025 
1 1 1  -20   -7    5 o  301.361   11.218  1140.85   84.419  1102.55  119.378  1179.16  119.395  294.844   16.277  305.100   15.724 -10.25531 22.63157 
1 1 1  -20   -7    6 o  118.223   10.033  176.613   29.342  143.336   40.423  213.671   42.658  105.372   15.853  129.581   13.375 -24.20899 20.74180 
1 1 1  -20   -7    7 o  130.326   10.741  214.704   34.646  233.405   49.014  196.029   48.979  135.221   14.755  123.468   16.283 11.75305 21.97338 
1 1 1  -20   -7    8 o  231.187   15.239  677.944   87.484  784.811  140.019  609.509  112.048  246.466   23.016  217.642   20.872 28.82420 31.07083 
1 1 1  -20   -7    9 o  215.067   16.526  588.871   88.075  442.589  140.227  684.178  113.187  181.243   32.160  230.982   19.815 -49.73930 37.77473 
1 1 1  -20   -7   10 o  103.243   15.524  137.636   38.785  153.333   94.113  134.424   42.568  107.164   32.410  101.598   17.404 5.566513 36.78709 
1 1 1  -20   -7   11 o  333.812   14.262  1406.40  118.889  1685.48  219.237  1290.14  141.501  360.943   24.468  318.269   17.876 42.67426 30.30247 
1 1 1  -20   -7   12 o  119.315   14.643  182.430   42.714  191.073  103.569  180.659   46.887  118.360   33.520  118.370   16.294 -0.1023102E-01 37.27043 
1 1 1  -20   -7   13 o  272.809   13.595  938.954   92.620  1039.30  177.311  901.300  108.616  282.391   25.416  266.172   16.421 16.21954 30.25968 
1 1 1  -20   -7   14 o  332.516   14.804  1398.19  122.922  1466.52  229.353  1370.65  145.598  334.305   27.723  327.829   17.852 6.476288 32.97429 
1 1 1  -20   -7   15 o  169.733   14.214  366.590   59.692  293.167  132.663  385.228   66.840  144.725   36.665  173.704   15.574 -28.97934 39.83562 
1 1 1  -20   -7   16 o  240.016   26.162  758.565  154.267   0.0000   0.0000  758.565  154.267  ?   ?   240.016   26.162 0.000000 26.16213 
1 1 1  -20   -7   17 o  224.515   13.807  639.964   77.033  638.273  162.489  640.454   87.490  217.375   30.795  224.051   15.737 -6.675446 34.58332 
1 1 1  -20   -7   18 o  205.266   13.233  535.115   67.468  643.441  154.041  509.402   75.049  218.724   28.911  199.724   15.161 18.99989 32.64507 
1 1 1  -20   -7   19 o  251.674   13.716  805.472   85.876  850.848  180.198  792.138   97.682  250.919   29.311  248.841   15.802 2.078751 33.29885 
1 1 1  -20   -7   20 o  214.676   13.830  587.946   73.747  569.634  163.607  592.616   82.616  201.301   33.740  214.951   15.495 -13.65042 37.12843 
1 1 1  -20   -7   21 o  151.024   16.296  295.770   60.484  492.991  146.013  254.919   66.453  186.791   32.482  138.884   19.714 47.90642 37.99657 
1 1 1  -20   -7   22 o  165.471   14.490  352.814   59.269  295.866  149.395  363.452   64.568  138.412   40.588  167.554   15.611 -29.14172 43.48713 
1 1 1  -20   -7   23 o  119.401   15.586  186.558   45.364  144.758  134.148  191.955   48.204  102.815   38.588  120.855   16.396 -18.03996 41.92681 
1 1 1  -20   -7   24 o   51.621   18.416   30.953   29.971  150.607  138.989   25.118   30.693  103.006   39.138   49.256   18.463 53.75048 43.27451 
1 1 1  -20   -7   25 o  106.242   16.015  149.907   41.169  196.238  147.346  145.984   42.877  110.944   40.662  104.419   17.031 6.524551 44.08412 
1 1 1  -20   -7   26 o  253.037   29.162  934.647  180.899   0.0000   0.0000  934.647  180.899  ?   ?   253.037   29.162 0.000000 29.16230 
1 1 1  -20   -7   27 o  168.656   31.628  435.392  128.312   0.0000   0.0000  435.392  128.312  ?   ?   168.656   31.628 0.000000 31.62795 
1 1 1  -20   -7   28 o   94.409   34.694  139.607  107.368   0.0000   0.0000  139.607  107.368  ?   ?    94.409   34.694 0.000000 34.69359 
1 1 1  -20   -7   29 o   90.729   34.110  129.033  104.908   0.0000   0.0000  129.033  104.908  ?   ?    90.729   34.110 0.000000 34.11033 
1 1 1  -20   -6    1 o  387.213   14.134  1889.35  136.671  1906.03  193.000  1872.57  193.565  386.640   20.058  383.125   20.304 3.514954 28.54116 
1 1 1  -20   -6    2 o  493.383   19.663  3094.01  242.262  3231.46  295.649  2813.08  422.659  502.290   23.571  458.914   37.202 43.37613 44.04009 
1 1 1  -20   -6    3 o  302.975   11.962  1153.80   90.501  1182.19  127.935  1125.36  128.041  305.237   16.850  297.658   17.300 7.578949 24.14976 
1 1 1  -20   -6    4 o  154.531   10.483  301.065   40.216  323.697   56.465  277.767   57.291  159.621   14.318  147.474   15.803 12.14655 21.32450 
1 1 1  -20   -6    5 o  329.196   11.534  1361.65   94.817  1392.94  134.219  1330.47  133.964  331.948   16.192  323.905   16.618 8.042816 23.20209 
1 1 1  -20   -6    6 o  160.279   10.106  323.583   40.243  303.093   56.463  344.740   57.373  154.303   14.836  164.799   14.076 -10.49565 20.45134 
1 1 1  -20   -6    7 o  115.512   10.779  168.969   30.732  203.090   43.035  133.458   43.903  126.209   13.884  101.139   18.045 25.06957 22.76805 
1 1 1  -20   -6    8 o  165.688   15.369  349.602   62.867  329.761  108.260  359.697   77.221  157.204   28.632  167.286   18.812 -10.08226 34.25916 
1 1 1  -20   -6    9 o  234.453   14.873  696.581   86.626  902.774  140.855  571.152  109.858  265.061   21.465  210.549   21.182 54.51138 30.15618 
1 1 1  -20   -6   10 o  389.914   14.305  1917.96  139.284  2033.02  197.626  1804.40  196.336  399.562   19.807  375.418   21.027 24.14471 28.88685 
1 1 1  -20   -6   11 o  223.703   13.225  632.628   73.552  608.857  144.037  641.013   85.546  215.149   27.434  224.713   15.336 -9.564301 31.42935 
1 1 1  -20   -6   12 o  459.808   17.459  2682.44  200.467  2941.33  357.090  2563.30  242.241  473.090   30.387  447.560   21.674 25.52982 37.32486 
1 1 1  -20   -6   13 o  148.943   14.220  282.498   52.247  204.124  115.661  302.591   58.563  122.160   35.682  153.936   15.443 -31.77592 38.88012 
1 1 1  -20   -6   14 o  423.596   15.774  2271.69  166.854  2668.37  302.417  2098.10  200.059  452.494   26.884  405.504   19.757 46.99026 33.36299 
1 1 1  -20   -6   15 o  336.444   14.600  1430.90  122.665  1460.20  227.771  1418.93  145.580  333.671   27.583  333.697   17.532 -0.2587891E-01 32.68305 
1 1 1  -20   -6   16 o  259.387   26.371  883.511  168.440   0.0000   0.0000  883.511  168.440  ?   ?   259.387   26.371 0.000000 26.37115 
1 1 1  -20   -6   17 o  293.548   14.262  1090.14  104.546  1245.87  208.773  1038.01  120.780  307.385   27.488  285.173   17.038 22.21158 32.34057 
1 1 1  -20   -6   18 o  202.192   13.539  519.213   67.966  633.804  152.184  490.662   75.963  217.572   28.711  195.969   15.653 21.60271 32.70123 
1 1 1  -20   -6   19 o  273.958   14.181  953.956   96.685  1019.83  194.477  932.331  111.431  276.064   28.626  269.943   16.611 6.121033 33.09683 
1 1 1  -20   -6   20 o  285.479   14.704  1038.93  104.466  1025.62  206.730  1043.50  121.059  274.502   30.683  285.090   17.083 -10.58774 35.11843 
1 1 1  -20   -6   21 o   90.293   17.828  108.264   38.772  119.006  126.941  107.159   40.718   99.338   37.485   89.577   18.802 9.760887 41.93596 
1 1 1  -20   -6   22 o  165.855   15.908  355.772   65.077  634.283  152.653  293.914   71.942  214.271   29.297  149.172   19.802 65.09924 35.36138 
1 1 1  -20   -6   23 f  120.362   15.756  189.202   46.219  282.314  143.790  178.473   48.810  135.277   39.863  116.317   17.333 18.95940 43.46812 
1 1 1  -20   -6   24 o   80.399   18.352   87.555   36.035  186.929  140.016   80.506   37.291  111.740   39.812   76.868   19.420 34.87211 44.29562 
1 1 1  -20   -6   25 o   99.966   16.875  133.405   40.627  204.759  146.806  127.487   42.278  114.021   40.751   97.239   18.076 16.78230 44.57985 
1 1 1  -20   -6   26 o  242.957   15.173  769.333   91.596  706.251  206.786  784.731  102.165  207.395   41.378  244.196   16.857 -36.80051 44.67979 
1 1 1  -20   -6   28 o  279.066   30.532  1168.24  209.301   0.0000   0.0000  1168.24  209.301  ?   ?   279.066   30.532 0.000000 30.53211 
1 1 1  -20   -6   29 o   83.340   32.656   94.603   98.911   0.0000   0.0000   94.603   98.911  ?   ?    83.340   32.656 0.000000 32.65604 
1 1 1  -20   -6   30 o   83.584   33.101   98.711  102.619   0.0000   0.0000   98.711  102.619  ?   ?    83.584   33.101 0.000000 33.10083 
1 1 1  -20   -5    1 o  156.430   14.682  311.178   56.683   0.0000   0.0000  311.178   56.683  ?   ?   156.430   14.682 0.000000 14.68233 
1 1 1  -20   -5    2 o  129.767   12.116  213.478   38.808  268.999   49.197  122.024   63.141  145.527   13.699   95.771   25.815 49.75597 29.22498 
1 1 1  -20   -5    3 o  323.851   12.266  1318.61   99.199  1372.30  140.093  1264.62  140.484  328.879   17.117  315.439   17.908 13.44009 24.77312 
1 1 1  -20   -5    4 o  234.594   10.270  690.517   60.164  670.309   84.415  711.380   85.770  230.078   14.770  237.096   14.557 -7.017746 20.73800 
1 1 1  -20   -5    5 o  249.680   11.260  782.991   70.206  807.437   99.163  758.422   99.411  252.348   15.816  244.401   16.383 7.947128 22.77200 
1 1 1  -20   -5    6 o  442.992   13.805  2472.27  152.720  2502.11  216.202  2442.56  215.755  443.690   19.513  438.299   19.712 5.390991 27.73707 
1 1 1  -20   -5    7 o  367.597   12.419  1699.56  114.000  1667.19  161.320  1731.86  161.122  362.685   17.812  369.764   17.449 -7.078766 24.93471 
1 1 1  -20   -5    8 o  211.043   10.437  559.028   55.007  511.931   77.375  607.150   78.213  200.739   15.557  218.970   14.384 -18.23074 21.18749 
1 1 1  -20   -5    9 o  124.744   15.550  199.508   47.388  301.126   94.452  165.325   54.782  150.891   26.006  112.321   20.277 38.57049 32.97665 
1 1 1  -20   -5   10 o  389.941   13.564  1915.83  132.085  1933.49  186.605  1898.10  186.988  389.986   19.161  385.828   19.470 4.157349 27.31745 
1 1 1  -20   -5   11 o  429.953   14.395  2332.26  154.551  2391.17  218.883  2273.68  218.254  433.169   20.235  422.194   20.701 10.97504 28.94828 
1 1 1  -20   -5   12 o  310.822   13.573  1217.72  105.348  1429.50  196.705  1132.54  124.747  332.752   23.830  298.558   16.800 34.19455 29.15712 
1 1 1  -20   -5   13 o  484.310   18.957  2984.26  229.272  3117.64  405.504  2921.58  277.967  484.377   33.735  476.911   23.340 7.466095 41.02217 
1 1 1  -20   -5   14 o  271.103   13.339  926.548   90.304  1073.06  174.324  872.812  105.573  287.560   24.510  262.047   16.213 25.51282 29.38699 
1 1 1  -20   -5   15 o  129.203   15.176  213.899   48.032  155.984  112.855  226.710   53.080  109.066   35.831  132.802   16.351 -23.73624 39.38580 
1 1 1  -20   -5   16 o  253.812   13.703  815.472   86.531  897.588  171.577  787.463  100.208  261.563   26.640  248.721   16.223 12.84148 31.19095 
1 1 1  -20   -5   17 o  199.888   26.961  529.194  131.144   0.0000   0.0000  529.194  131.144  ?   ?   199.888   26.961 0.000000 26.96087 
1 1 1  -20   -5   18 o  133.525   14.652  228.345   48.052  368.763  129.458  205.907   51.749  163.705   32.810  126.193   16.842 37.51141 36.88066 
1 1 1  -20   -5   19 o  310.637   14.406  1222.73  111.750  1227.21  216.112  1221.09  130.559  303.467   28.866  309.116   16.979 -5.648682 33.48870 
1 1 1  -20   -5   20 o  274.981   14.479  962.256   99.071  1076.42  199.963  925.117  114.054  283.418   28.647  268.613   17.092 14.80414 33.35831 
1 1 1  -20   -5   21 o  205.849   13.333  539.515   68.170  769.251  161.178  489.464   75.231  239.108   27.494  195.338   15.551 43.76988 31.58732 
1 1 1  -20   -5   22 o  228.356   13.625  665.311   77.342  796.267  171.317  631.787   86.678  241.370   29.004  221.710   15.758 19.65959 33.00805 
1 1 1  -20   -5   23 o  143.552   17.106  269.064   60.113  289.540  143.838  264.731   66.169  138.042   39.640  141.588   19.211 -3.545944 44.04966 
1 1 1  -20   -5   24 o   92.661   17.356  114.516   38.685   11.359  138.314  123.271   40.293   81.083   35.578   96.203   17.413 -15.12083 39.61102 
1 1 1  -20   -5   25 o  187.761   14.364  455.631   66.839  575.841  175.070  435.119   72.317  194.326   37.435  182.718   16.011 11.60835 40.71487 
1 1 1  -20   -5   26 o   78.948   19.845   85.822   39.079   0.0000   0.0000   85.822   39.079  ?   ?    78.948   19.845 0.000000 19.84463 
1 1 1  -20   -5   27 o   71.511   30.772   25.336   99.332   0.0000   0.0000   25.336   99.332  ?   ?    71.511   30.772 0.000000 30.77214 
1 1 1  -20   -5   28 o  142.969   35.609  328.455  126.653   0.0000   0.0000  328.455  126.653  ?   ?   142.969   35.609 0.000000 35.60897 
1 1 1  -20   -5   29 o   75.061   31.715   48.186  102.197   0.0000   0.0000   48.186  102.197  ?   ?    75.061   31.715 0.000000 31.71539 
1 1 1  -20   -5   30 o   69.477   30.445   21.509  100.986   0.0000   0.0000   21.509  100.986  ?   ?    69.477   30.445 0.000000 30.44532 
1 1 1  -20   -5   31 o  215.421   32.229  737.699  168.046   0.0000   0.0000  737.699  168.046  ?   ?   215.421   32.229 0.000000 32.22865 
1 1 1  -20   -4    1 o  231.882   14.532  680.376   83.725  680.376   83.725   0.0000   0.0000  231.882   14.532  ?   ?  0.000000 14.53243 
1 1 1  -20   -4    2 o  240.081   11.256  723.828   67.483  756.532   94.626  689.979   96.266  244.323   15.591  233.037   16.652 11.28615 22.81149 
1 1 1  -20   -4    3 f  123.758   11.223  193.888   34.306  216.517   47.334  168.846   49.793  130.217   14.820  114.103   18.078 16.11425 23.37611 
1 1 1  -20   -4    4 o  263.273   11.316  870.529   74.395  903.194  104.742  837.273  105.684  266.981   15.781  256.826   16.567 10.15515 22.88002 
1 1 1  -20   -4    5 o  470.960   15.473  2800.07  181.971  2788.32  257.090  2811.86  257.603  467.352   22.029  469.344   21.979 -1.992432 31.11818 
1 1 1  -20   -4    6 o  313.631   12.191  1236.67   95.479  1290.74  134.895  1182.38  135.161  318.948   16.998  304.983   17.825 13.96490 24.63010 
1 1 1  -20   -4    7 o  241.933   11.075  735.024   66.910  815.858   94.672  654.349   94.578  253.855   15.001  226.828   16.817 27.02756 22.53526 
1 1 1  -20   -4    8 o  428.032   12.899  2305.58  137.878  2398.48  195.321  2213.31  194.658  434.970   17.982  417.598   18.666 17.37177 25.91893 
1 1 1  -20   -4    9 o  341.967   18.505  1488.18  157.435  1503.19  231.901  1475.34  214.419  339.849   27.563  337.595   25.625 2.253784 37.63461 
1 1 1  -20   -4   10 f  338.283   17.476  1453.69  147.122  1679.70  221.151  1274.26  197.052  360.705   24.701  313.668   25.374 47.03732 35.41170 
1 1 1  -20   -4   11 o  136.891   10.996  236.861   37.271  217.009   52.006  257.824   53.442  129.991   16.385  142.086   15.303 -12.09479 22.42011 
1 1 1  -20   -4   12 o  298.075   11.901  1117.27   88.587  1171.51  125.711  1063.77  124.854  303.766   16.636  289.202   17.369 14.56433 24.05028 
1 1 1  -20   -4   13 o  366.564   13.587  1693.66  124.372  1713.24  176.234  1674.23  175.544  366.438   19.328  362.169   19.482 4.268890 27.44243 
1 1 1  -20   -4   14 o  191.264   13.047  462.949   61.941  515.386  129.020  447.243   70.611  197.860   26.802  187.524   15.210 10.33652 30.81716 
1 1 1  -20   -4   15 o  186.701   13.356  441.621   61.856  557.095  130.579  408.212   70.236  206.050   25.953  178.915   15.886 27.13542 30.42908 
1 1 1  -20   -4   16 o  279.128   13.411  982.673   93.477  1226.75  182.547  895.924  108.828  307.673   23.948  265.351   16.505 42.32248 29.08502 
1 1 1  -20   -4   17 o  249.436   26.871  818.007  164.734   0.0000   0.0000  818.007  164.734  ?   ?   249.436   26.871 0.000000 26.87096 
1 1 1  -20   -4   18 o  115.335   32.968  182.406   99.707   0.0000   0.0000  182.406   99.707  ?   ?   115.335   32.968 0.000000 32.96773 
1 1 1  -20   -4   19 o  357.630   15.130  1621.63  135.122  1883.77  254.903  1519.18  159.354  378.280   27.165  344.346   18.601 33.93365 32.92314 
1 1 1  -20   -4   20 o  136.464   15.303  239.325   51.251  220.755  134.235  242.494   55.451  125.160   38.868  137.054   16.536 -11.89391 42.23919 
1 1 1  -20   -4   21 o  237.266   13.810  716.208   81.468  940.466  177.388  656.262   91.713  265.399   27.148  226.240   16.343 39.15913 31.68752 
1 1 1  -20   -4   22 o  173.725   13.763  385.661   59.219  402.100  145.719  382.409   64.812  167.291   35.952  172.557   15.196 -5.265228 39.03153 
1 1 1  -20   -4   23 o   70.624   20.079   66.642   37.089   71.967  129.554   66.167   38.709   90.077   36.662   70.496   20.657 19.58115 42.08087 
1 1 1  -20   -4   24 o  114.802   16.111  172.520   44.916  156.054  140.315  174.400   47.411  106.990   39.600  115.146   17.000 -8.156700 43.09485 
1 1 1  -20   -4   25 o  226.688   14.090  660.832   79.365  846.522  202.113  626.980   86.297  240.651   34.630  219.954   15.817 20.69653 38.07074 
1 1 1  -20   -4   26 o   95.030   38.948  101.084  147.501  101.084  147.501   0.0000   0.0000   95.030   38.948  ?   ?  0.000000 38.94815 
1 1 1  -20   -4   27 o  166.780   15.415  363.777   63.475  100.033  168.673  407.290   68.511   96.233   40.708  176.388   15.719 -80.15462 43.63708 
1 1 1  -20   -4   28 o  148.349   34.992  345.924  127.530   0.0000   0.0000  345.924  127.530  ?   ?   148.349   34.992 0.000000 34.99242 
1 1 1  -20   -4   29 o  129.594   36.465  275.787  122.981   0.0000   0.0000  275.787  122.981  ?   ?   129.594   36.465 0.000000 36.46520 
1 1 1  -20   -4   30 f  259.205   31.388  1023.34  199.029   0.0000   0.0000  1023.34  199.029  ?   ?   259.205   31.388 0.000000 31.38828 
1 1 1  -20   -4   31 o  156.175   35.362  403.456  134.704   0.0000   0.0000  403.456  134.704  ?   ?   156.175   35.362 0.000000 35.36191 
1 1 1  -20   -3    1 o  259.809   11.245  847.631   72.960  853.935  101.871  840.992  104.541  259.593   15.790  257.476   16.344 2.117218 22.72532 
1 1 1  -20   -3    2 o  192.940   11.269  469.042   54.058  504.762   75.446  431.357   77.494  199.447   15.264  183.901   17.069 15.54623 22.89867 
1 1 1  -20   -3    3 o  147.428   10.602  274.156   38.772  306.373   53.350  238.092   56.446  155.360   13.898  136.193   16.965 19.16698 21.93065 
1 1 1  -20   -3    4 o   96.159   12.198  118.057   28.633  129.773   38.934  104.257   42.255  100.141   16.116   88.925   19.560 11.21677 25.34410 
1 1 1  -20   -3    5 o  437.246   15.328  2412.81  167.365  2462.49  236.280  2362.79  237.101  439.453   21.531  429.665   22.174 9.787781 30.90709 
1 1 1  -20   -3    6 o  141.029   10.418  250.917   36.428  253.631   50.198  247.897   52.947  141.132   14.447  139.308   15.482 1.823822 21.17549 
1 1 1  -20   -3    7 f  169.077   10.372  360.047   43.581  359.098   60.833  361.049   62.466  168.138   14.634  168.526   15.000 -0.3880768 20.95627 
1 1 1  -20   -3    8 o  190.874   10.840  458.844   51.453  517.006   72.719  400.532   72.812  201.990   14.513  177.211   16.649 24.77908 22.08684 
1 1 1  -20   -3    9 o  388.408   19.763  1923.03  191.058  1984.32  278.375  1868.45  262.698  390.163   28.775  378.993   27.955 11.16986 40.11776 
1 1 1  -20   -3   10 o  128.452   16.461  211.951   51.586  218.357   95.611  209.320   61.270  127.028   30.521  126.816   20.011 0.2113647 36.49651 
1 1 1  -20   -3   11 o  297.849   11.311  1114.55   84.132  1049.56  118.451  1180.72  119.517  287.564   16.565  305.295   15.730 -17.73172 22.84400 
1 1 1  -20   -3   12 o  491.520   16.049  3054.83  196.988  3134.32  278.750  2975.54  278.418  494.853   22.557  481.849   23.139 13.00485 32.31448 
1 1 1  -20   -3   13 o  352.556   13.439  1566.07  118.315  1554.97  167.268  1577.18  167.377  349.151   19.259  351.691   19.130 -2.540741 27.14533 
1 1 1  -20   -3   14 o  140.938   10.696  250.889   37.364  244.363   52.422  257.626   53.271  138.220   15.452  142.004   15.262 -3.784256 21.71843 
1 1 1  -20   -3   15 o  240.487   14.474  732.677   86.519  575.520  163.340  793.967  102.004  206.812   32.716  249.867   16.440 -43.05484 36.61428 
1 1 1  -20   -3   16 f  323.612   14.771  1323.19  119.370  1254.10  220.809  1351.73  141.892  308.740   28.979  325.863   17.501 -17.12296 33.85381 
1 1 1  -20   -3   17 o  144.336   14.691  265.933   52.215  252.498  125.261  268.759   57.443  134.831   36.368  144.781   16.164 -9.950134 39.79805 
1 1 1  -20   -3   18 o  157.609   30.690  337.234  116.445   0.0000   0.0000  337.234  116.445  ?   ?   157.609   30.690 0.000000 30.69005 
1 1 1  -20   -3   19 o  231.251   12.906  676.896   74.230  879.831  162.984  623.785   83.380  258.982   25.534  221.384   15.174 37.59790 29.70210 
1 1 1  -20   -3   20 o  358.062   15.606  1628.04  139.541  1840.45  262.766  1544.60  164.681  372.634   28.453  346.849   19.087 25.78458 34.26201 
1 1 1  -20   -3   21 o  153.667   14.989  302.629   56.786  266.210  139.346  309.882   62.184  136.036   39.002  155.159   16.292 -19.12315 42.26825 
1 1 1  -20   -3   22 f  102.579   17.178  138.073   42.446  114.900  129.941  140.841   44.910   99.591   37.842  103.383   18.053 -3.791878 41.92768 
1 1 1  -20   -3   23 o  131.110   15.401  222.329   49.464  350.999  143.749  205.047   52.681  154.737   37.576  125.274   17.302 29.46261 41.36840 
1 1 1  -20   -3   24 o   62.258   19.918   49.835   35.006   64.638  131.214   48.701   36.322   88.790   36.603   61.978   20.326 26.81242 41.86777 
1 1 1  -20   -3   25 o  229.298   14.270  675.331   81.302  718.350  189.240  665.593   90.035  221.875   35.340  226.824   15.998 -4.949234 38.79283 
1 1 1  -20   -3   26 o  109.967   16.864  160.115   44.833  296.067  152.488  147.251   46.906  135.861   41.291  104.742   18.615 31.11943 45.29334 
1 1 1  -20   -3   27 o  155.641   14.711  315.164   56.499  556.165  169.836  285.174   59.911  189.872   37.150  147.185   16.589 42.68715 40.68560 
1 1 1  -20   -3   28 o  219.669   14.202  625.836   77.488  988.870  199.437  561.289   84.095  259.160   31.462  206.688   16.429 52.47202 35.49303 
1 1 1  -20   -3   29 o  177.070   34.096  484.618  145.293   0.0000   0.0000  484.618  145.293  ?   ?   177.070   34.096 0.000000 34.09577 
1 1 1  -20   -3   30 o   89.105   35.129  108.334  115.100   0.0000   0.0000  108.334  115.100  ?   ?    89.105   35.129 0.000000 35.12919 
1 1 1  -20   -3   31 o  183.864   34.293  538.535  151.659   0.0000   0.0000  538.535  151.659  ?   ?   183.864   34.293 0.000000 34.29253 
1 1 1  -20   -3   32 o  104.470   36.851  188.958  119.680   0.0000   0.0000  188.958  119.680  ?   ?   104.470   36.851 0.000000 36.85135 
1 1 1  -20   -2    1 o  173.463   11.067  379.288   47.689  427.355   66.478  328.326   68.451  183.552   14.625  160.162   17.394 23.39000 22.72524 
1 1 1  -20   -2    2 o  136.564   10.688  235.474   36.159  236.632   49.278  234.122   53.221  136.229   14.719  135.227   16.076 1.002197 21.79642 
1 1 1  -20   -2    3 o  295.670   11.739  1098.35   86.671  1066.68  121.169  1131.53  124.023  289.966   16.806  298.708   16.693 -8.742249 23.68762 
1 1 1  -20   -2    4 o  231.090   10.585  670.173   61.086  671.512   85.312  668.763   87.507  230.280   14.916  229.712   15.343 0.5679779 21.39832 
1 1 1  -20   -2    5 o  252.330   11.031  799.392   69.507  805.710   97.246  792.793   99.384  252.185   15.517  250.034   16.001 2.151245 22.28950 
1 1 1  -20   -2    6 o  298.301   11.858  1118.19   88.335  1166.38  124.386  1069.16  125.471  303.327   16.483  290.121   17.399 13.20557 23.96705 
1 1 1  -20   -2    7 o  129.743   10.979  212.828   35.236  225.851   48.695  198.516   51.051  133.007   14.918  124.184   16.901 8.823189 22.54322 
1 1 1  -20   -2    8 o  187.448   10.539  442.341   49.130  463.653   68.644  419.958   70.348  191.244   14.481  181.719   15.655 9.525238 21.32572 
1 1 1  -20   -2    9 o  226.929   15.555  653.193   87.617  676.837  136.225  636.511  114.425  228.536   24.240  222.627   20.824 5.909180 31.95664 
1 1 1  -20   -2   10 o  192.763   15.282  471.897   72.957  511.418  119.159  448.198   92.275  198.187   24.606  186.670   20.113 11.51686 31.78039 
1 1 1  -20   -2   11 o   97.790   12.452  122.184   29.719  121.458   40.630  123.020   43.583   96.491   17.507   96.884   18.691 -0.3923798 25.60968 
1 1 1  -20   -2   12 o  213.495   11.209  574.130   59.548  652.503   84.469  496.701   83.959  226.887   14.993  197.319   17.212 29.56824 22.82613 
1 1 1  -20   -2   13 o  161.357   11.026  328.536   44.163  346.974   62.432  310.071   62.480  165.061   15.321  155.749   16.306 9.311356 22.37476 
1 1 1  -20   -2   14 o  151.229   10.603  288.565   39.789  283.890   55.846  293.384   56.703  149.171   15.205  151.676   15.174 -2.505402 21.48085 
1 1 1  -20   -2   15 o  456.190   14.546  2626.98  165.702  2598.93  234.506  2654.94  234.169  451.189   20.813  456.148   20.558 -4.958344 29.25436 
1 1 1  -20   -2   16 o  260.076   13.830  855.500   89.496  887.383  171.426  843.555  104.931  260.456   26.736  257.581   16.398 2.875488 31.36434 
1 1 1  -20   -2   17 o  207.848   13.368  546.924   69.016  704.779  145.165  500.822   78.450  232.217   25.450  198.263   15.981 33.95355 30.05180 
1 1 1  -20   -2   18 o  147.062   30.943  294.395  110.038   0.0000   0.0000  294.395  110.038  ?   ?   147.062   30.943 0.000000 30.94326 
1 1 1  -20   -2   19 o  230.468   27.217  701.682  153.618   0.0000   0.0000  701.682  153.618  ?   ?   230.468   27.217 0.000000 27.21725 
1 1 1  -20   -2   20 o  184.937   13.859  434.835   63.540  515.176  145.609  415.938   70.618  195.069   30.923  180.356   15.840 14.71347 34.74406 
1 1 1  -20   -2   21 o  157.348   14.481  316.384   56.263  420.961  139.143  295.944   61.516  174.440   33.154  151.610   16.515 22.82971 37.03999 
1 1 1  -20   -2   22 o  106.418   16.486  147.674   42.395  318.202  131.142  127.773   44.800  149.460   35.639   98.194   18.957 51.26652 40.36682 
1 1 1  -20   -2   23 o  115.252   16.568  173.174   46.313   96.159  135.865  183.299   49.264   96.541   38.133  118.463   17.152 -21.92215 41.81297 
1 1 1  -20   -2   24 o  184.726   19.854  447.637   90.147   0.0000   0.0000  447.637   90.147  ?   ?   184.726   19.854 0.000000 19.85378 
1 1 1  -20   -2   25 o  157.198   17.619  323.093   67.974  309.303  154.911  326.382   75.645  141.383   41.294  157.139   19.711 -15.75517 45.75739 
1 1 1  -20   -2   26 o  364.733   15.244  1711.35  138.842  2133.22  278.487  1571.81  160.167  392.181   28.634  346.664   18.569 45.51697 34.12794 
1 1 1  -20   -2   27 o  145.069   14.568  273.383   52.061  498.144  164.523  248.373   54.881  179.713   37.856  137.540   16.296 42.17361 41.21409 
1 1 1  -20   -2   28 o  126.524   15.450  210.328   47.801  379.263  166.597  195.172   49.900  150.149   42.510  121.216   16.948 28.93291 45.76364 
1 1 1  -20   -2   29 o   73.867   31.706   30.759  104.969   0.0000   0.0000   30.759  104.969  ?   ?    73.867   31.706 0.000000 31.70568 
1 1 1  -20   -2   30 f  100.396   36.102  156.435  115.388   0.0000   0.0000  156.435  115.388  ?   ?   100.396   36.102 0.000000 36.10154 
1 1 1  -20   -2   31 f  174.240   35.553  486.876  149.457   0.0000   0.0000  486.876  149.457  ?   ?   174.240   35.553 0.000000 35.55314 
1 1 1  -20   -2   32 o  106.585   38.004  195.714  127.610   0.0000   0.0000  195.714  127.610  ?   ?   106.585   38.004 0.000000 38.00358 
1 1 1  -20   -2   33 f   61.821   29.045 -56.4507  114.304   0.0000   0.0000 -56.4507  114.304  ?   ?    61.821   29.045 0.000000 29.04499 
1 1 1  -20   -1    1 o  147.931   11.356  276.426   41.630  302.624   56.994  246.462   60.952  154.192   14.991  138.355   18.074 15.83707 23.48176 
1 1 1  -20   -1    2 o  151.803   10.447  290.502   39.363  277.767   53.766  305.214   57.786  147.708   14.775  154.829   15.140 -7.121292 21.15412 
1 1 1  -20   -1    3 f  308.196   12.546  1194.44   96.559  1230.54  135.309  1156.98  137.836  311.315   17.476  301.566   18.391 9.748871 25.37005 
1 1 1  -20   -1    4 o  363.307   12.775  1660.25  115.902  1603.49  162.520  1719.00  165.337  355.193   18.386  368.354   17.974 -13.16104 25.71215 
1 1 1  -20   -1    5 o  422.224   14.788  2248.04  155.924  2204.86  219.463  2292.07  221.572  415.478   21.223  424.253   20.914 -8.775146 29.79651 
1 1 1  -20   -1    6 o  345.282   13.403  1500.76  115.569  1526.37  162.644  1474.66  164.247  346.345   18.876  340.227   19.412 6.117950 27.07700 
1 1 1  -20   -1    7 o   96.264   12.523  118.452   29.390  127.897   39.785  107.107   43.604   99.288   16.635   90.098   19.911 9.189705 25.94519 
1 1 1  -20   -1    8 o  240.232   9.6653  723.682   57.983  662.113   80.672  789.480   83.396  228.794   14.190  250.073   13.403 -21.27917 19.51920 
1 1 1  -20   -1    9 o  208.469   14.693  550.696   76.002  720.096  122.759  445.406   96.781  236.877   20.970  185.807   21.240 51.06966 29.84719 
1 1 1  -20   -1   10 o  232.382   16.033  685.496   92.473  648.795  143.088  711.818  121.178  223.021   26.191  235.525   20.818 -12.50400 33.45670 
1 1 1  -20   -1   11 o  124.016   10.674  194.473   32.735  198.849   45.001  189.554   47.707  124.718   14.734  121.443   16.130 3.275139 21.84641 
1 1 1  -20   -1   12 o  155.659   10.858  305.698   41.940  295.383   58.407  316.678   60.261  152.155   15.592  157.615   15.511 -5.459442 21.99358 
1 1 1  -20   -1   13 o  194.210   10.150  474.583   49.055  441.687   68.554  509.102   70.224  186.510   14.842  200.470   14.118 -13.96025 20.48403 
1 1 1  -20   -1   14 o  218.550   10.806  599.849   58.975  615.908   82.908  583.399   83.908  220.337   15.160  214.270   15.793 6.066788 21.89186 
1 1 1  -20   -1   15 o  324.171   12.804  1323.09  103.650  1423.58  147.203  1224.28  145.971  334.555   17.683  309.754   18.962 24.80057 25.92771 
1 1 1  -20   -1   16 o  428.062   13.727  2310.47  146.740  2244.48  207.545  2376.44  207.497  419.691   19.803  432.101   19.230 -12.40985 27.60341 
1 1 1  -20   -1   17 o  296.732   12.088  1108.09   89.570  1121.74  126.914  1094.54  126.430  296.893   17.192  293.209   17.344 3.683502 24.42096 
1 1 1  -20   -1   18 o  295.107   14.469  1100.27  106.624  1224.14  205.209  1054.46  124.792  305.741   27.160  287.633   17.456 18.10846 32.28653 
1 1 1  -20   -1   19 o  219.467   27.427  636.728  147.032   0.0000   0.0000  636.728  147.032  ?   ?   219.467   27.427 0.000000 27.42703 
1 1 1  -20   -1   20 o  124.469   15.872  199.574   48.211  349.664  130.560  175.878   51.877  158.989   33.919  116.069   18.521 42.92054 38.64560 
1 1 1  -20   -1   21 o  286.039   13.734  1035.05   98.098  1249.94  196.801  964.002  113.158  308.383   25.793  274.767   16.569 33.61584 30.65613 
1 1 1  -20   -1   22 o  158.757   14.499  322.331   56.846  289.929  140.858  328.634   62.130  141.829   38.696  159.977   15.757 -18.14818 41.78079 
1 1 1  -20   -1   23 o   55.611   19.328   36.247   32.853   77.887  125.752   33.197   34.035   91.453   36.508   54.635   19.611 36.81824 41.44144 
1 1 1  -20   -1   24 o  211.823   22.002  591.772  114.682  598.308  174.204  586.772  152.353  204.960   35.310  206.077   30.529 -1.116104 46.67811 
1 1 1  -20   -1   25 o  119.641   17.808  188.454   51.582  336.759  143.435  166.426   55.280  150.033   38.187  111.338   20.643 38.69494 43.40930 
1 1 1  -20   -1   26 o  336.182   15.251  1451.46  128.032  1564.59  253.633  1412.78  148.316  334.197   30.736  329.373   18.102 4.823181 35.67030 
1 1 1  -20   -1   27 o  119.253   17.195  188.101   49.726  139.233  153.665  193.817   52.554  103.204   40.621  120.784   17.972 -17.57909 44.41896 
1 1 1  -20   -1   28 o   53.131   18.944   33.039   31.709 -158.6732  153.081   41.634   32.412   65.984   31.726   57.338   19.216 8.646160 37.09163 
1 1 1  -20   -1   29 o   98.917   18.012  132.247   42.853  107.880  163.999  134.033   44.395   96.612   40.464   99.375   18.573 -2.762939 44.52266 
1 1 1  -20   -1   30 o   73.811   32.208   21.654  111.958   0.0000   0.0000   21.654  111.958  ?   ?    73.811   32.208 0.000000 32.20775 
1 1 1  -20   -1   31 o  113.642   37.917  215.000  126.198   0.0000   0.0000  215.000  126.198  ?   ?   113.642   37.917 0.000000 37.91721 
1 1 1  -20   -1   32 o   92.080   36.281  123.789  122.706   0.0000   0.0000  123.789  122.706  ?   ?    92.080   36.281 0.000000 36.28111 
1 1 1  -20   -1   33 o   80.747   34.303   69.711  120.600   0.0000   0.0000   69.711  120.600  ?   ?    80.747   34.303 0.000000 34.30281 
1 1 1  -20    0    1 o  193.396   11.258  471.273   54.136  556.301   75.257  380.095   77.931  209.593   14.467  172.213   18.407 37.37965 23.41163 
1 1 1  -20    0    2 o  389.901   13.853  1914.76  134.883  1906.50  189.517  1923.23  192.014  386.881   19.681  388.510   19.858 -1.628723 27.95880 
1 1 1  -20    0    3 o  388.767   13.704  1903.25  133.040  1895.98  187.089  1910.70  189.222  385.892   19.478  387.334   19.627 -1.441467 27.65142 
1 1 1  -20    0    4 o  260.004   11.733  849.360   76.182  878.208  106.622  819.272  108.888  263.134   16.307  253.872   17.279 9.261932 23.75822 
1 1 1  -20    0    5 o  378.862   13.973  1808.11  132.201  1837.90  185.954  1777.67  187.985  379.850   19.671  373.341   20.239 6.508453 28.22380 
1 1 1  -20    0    6 o  183.638   10.880  424.796   49.670  417.820   68.735  432.420   71.858  181.336   15.322  184.408   15.755 -3.071686 21.97750 
1 1 1  -20    0    7 o  305.161   12.148  1170.58   92.574  1104.82  129.518  1239.26  132.368  294.861   17.671  312.533   17.025 -17.67212 24.53801 
1 1 1  -20    0    8 o  177.568   11.653  397.812   51.385  413.522   65.208  372.076   83.463  180.534   14.589  169.953   20.052 10.58095 24.79740 
1 1 1  -20    0    9 o  490.024   22.687  3069.51  277.617  3376.22  399.773  2783.84  385.818  507.491   31.704  459.098   33.893 48.39319 46.40986 
1 1 1  -20    0   10 o  165.846   15.336  350.046   62.795  400.020  105.421  322.564   78.177  174.910   24.833  158.005   20.281 16.90454 32.06287 
1 1 1  -20    0   11 o  181.553   10.665  415.161   48.138  440.893   67.220  388.073   68.969  186.436   14.554  174.542   16.002 11.89301 21.63004 
1 1 1  -20    0   12 o   97.180   12.770  120.825   30.240  153.157   41.638   84.739   43.989  109.027   15.750   80.130   21.526 28.89674 26.67256 
1 1 1  -20    0   13 o  187.300   10.873  441.989   50.639  482.256   71.213  400.801   72.022  194.970   14.735  177.276   16.457 17.69400 22.08986 
1 1 1  -20    0   14 o  182.186   11.239  418.567   50.882  461.304   71.666  375.127   72.253  190.548   15.187  171.283   17.122 19.26549 22.88683 
1 1 1  -20    0   15 o  307.423   12.351  1189.11   94.819  1238.06  134.255  1140.40  133.935  312.088   17.294  299.264   18.006 12.82364 24.96607 
1 1 1  -20    0   16 o  262.823   11.549  868.420   75.798  836.478  106.440  901.285  107.966  256.467   16.711  266.368   16.310 -9.900879 23.35098 
1 1 1  -20    0   17 o  261.194   12.023  858.379   78.421  954.919  111.461  763.746  110.355  274.135   16.357  244.534   18.202 29.60117 24.47149 
1 1 1  -20    0   18 o  348.909   13.201  1534.70  115.019  1573.80  163.040  1495.96  162.284  351.187   18.658  342.205   19.066 8.982025 26.67673 
1 1 1  -20    0   19 o  190.854   29.271  486.721  135.054   0.0000   0.0000  486.721  135.054  ?   ?   190.854   29.271 0.000000 29.27134 
1 1 1  -20    0   20 f  229.721   20.202  680.438  114.711  594.365  169.584  753.042  155.751  208.847   33.661  239.123   26.530 -30.27597 42.85912 
1 1 1  -20    0   21 o  210.212   14.056  561.487   73.357  688.034  158.850  527.183   82.704  227.051   28.655  203.003   16.456 24.04790 33.04372 
1 1 1  -20    0   22 o  121.431   16.350  190.922   48.320  220.575  131.885  186.324   51.931  125.045   38.476  119.507   17.956 5.537308 42.45957 
1 1 1  -20    0   23 o   46.067   18.362   14.701   31.766   0.0000   0.0000   14.701   31.766  ?   ?    46.067   18.362 0.000000 18.36154 
1 1 1  -20    0   24 o  181.395   16.813  424.855   75.295  497.132  156.271  403.002   85.926  187.270   34.694  175.452   19.967 11.81802 40.02961 
1 1 1  -20    0   25 o  123.889   18.033  201.761   54.153  212.058  138.672  199.908   58.824  120.446   39.726  122.672   19.883 -2.225319 44.42417 
1 1 1  -20    0   26 o  196.629   16.776  501.817   81.585  629.549  167.990  462.391   93.331  209.902   33.150  187.056   20.307 22.84599 38.87490 
1 1 1  -20    0   27 o   97.221   18.181  126.630   42.516   93.248  145.913  129.727   44.445   94.820   38.786   98.223   18.805 -3.402916 43.10391 
1 1 1  -20    0   28 o   40.984   17.007   7.0271   28.595  110.553  148.143   3.0206   29.143   96.920   39.294   39.902   16.902 57.01819 42.77479 
1 1 1  -20    0   29 o   62.877   20.150   52.208   35.816  177.556  159.579   45.559   36.754  108.438   41.759   60.009   20.461 48.42929 46.50185 
1 1 1  -20    0   30 o  173.425   15.405  393.887   66.022  537.804  195.681  375.399   70.134  176.173   44.474  168.492   16.896 7.680283 47.57528 
1 1 1  -20    0   31 o  132.907   38.256  293.380  133.829   0.0000   0.0000  293.380  133.829  ?   ?   132.907   38.256 0.000000 38.25639 
1 1 1  -20    0   32 o   67.856   31.026 -24.9398  117.661   0.0000   0.0000 -24.9398  117.661  ?   ?    67.856   31.026 0.000000 31.02570 
1 1 1  -20    0   33 o  173.947   37.494  506.267  158.070   0.0000   0.0000  506.267  158.070  ?   ?   173.947   37.494 0.000000 37.49443 
1 1 1  -20    0   34 o  123.531   40.808  288.988  146.304   0.0000   0.0000  288.988  146.304  ?   ?   123.531   40.808 0.000000 40.80760 
1 1 1  -20    1    1 o  432.144   15.056  2356.12  162.474  2479.65  228.952  2230.81  230.602  441.267   20.777  417.416   22.203 23.85046 30.40831 
1 1 1  -20    1    2 o  270.375   11.363  918.171   76.717  937.942  107.300  897.495  109.730  272.064   15.862  265.927   16.607 6.137634 22.96526 
1 1 1  -20    1    3 o  345.424   13.463  1502.17  116.134  1611.29  163.412  1390.80  165.078  356.013   18.444  330.123   20.121 25.89023 27.29510 
1 1 1  -20    1    4 o  157.015   10.673  310.834   41.600  306.615   56.986  315.647   60.867  155.231   14.883  157.358   15.699 -2.126862 21.63277 
1 1 1  -20    1    5 o  384.715   14.000  1864.55  134.496  1911.97  189.488  1816.40  190.931  387.441   19.649  377.344   20.337 10.09705 28.27914 
1 1 1  -20    1    6 o  292.393   11.422  1073.84   83.395  1008.86  115.835  1143.77  120.162  282.032   16.519  300.479   16.072 -18.44641 23.04788 
1 1 1  -20    1    7 o  326.714   11.970  1341.52   97.656  1299.35  136.370  1385.91  139.910  320.009   17.127  330.560   17.007 -10.55139 24.13650 
1 1 1  -20    1    8 o  313.645   17.185  1248.53  134.082  1351.99  197.628  1160.29  182.514  323.716   24.632  299.775   24.598 23.94144 34.81084 
1 1 1  -20    1    9 o  407.945   20.960  2125.32  212.805  1995.63  306.236  2246.44  295.931  389.698   31.744  415.449   28.701 -25.75037 42.79530 
1 1 1  -20    1   10 o  414.969   20.489  2192.07  212.315  2285.81  307.312  2106.48  293.670  418.503   29.597  401.749   29.478 16.75415 41.77202 
1 1 1  -20    1   11 o  131.358   11.303  218.310   36.716  214.631   50.196  222.543   53.845  129.415   15.864  131.622   16.763 -2.206985 23.07949 
1 1 1  -20    1   12 o   70.248   15.268   64.667   26.019   66.342   34.613   62.492   39.452   71.069   19.096   69.665   20.965 1.403709 28.35779 
1 1 1  -20    1   13 o  177.921   10.398  398.645   45.996  360.060   63.203  442.086   67.063  168.217   15.211  186.678   14.500 -18.46170 21.01437 
1 1 1  -20    1   14 o  145.135   11.258  266.199   40.485  251.957   55.857  281.960   58.761  140.248   16.250  148.496   16.104 -8.247711 22.87809 
1 1 1  -20    1   15 o  234.899   11.160  693.232   65.465  731.345   92.622  655.187   92.540  240.092   15.532  226.973   16.438 13.11899 22.61534 
1 1 1  -20    1   16 o  347.534   12.989  1521.06  112.729  1507.70  159.142  1534.53  159.704  343.989   18.595  347.082   18.493 -3.093201 26.22542 
1 1 1  -20    1   17 o  136.154   11.121  234.490   37.482  251.569   51.454  215.180   54.712  140.364   14.908  129.145   17.409 11.21906 22.91936 
1 1 1  -20    1   18 o  171.076   11.589  369.756   49.218  399.990   68.619  337.719   70.635  177.133   15.675  162.161   17.732 14.97279 23.66692 
1 1 1  -20    1   19 o  337.699   17.317  1451.99  145.540  1230.07  189.738  1769.21  226.847  307.540   24.920  369.251   24.745 -61.71188 35.11861 
1 1 1  -20    1   20 o  197.359   15.492  496.346   75.739  434.503   90.851  637.265  137.142  183.258   20.187  220.348   25.388 -37.08974 32.43580 
1 1 1  -20    1   21 o  187.998   14.220  449.597   66.263  459.455  146.731  447.071   74.267  182.966   33.343  186.992   16.060 -4.026199 37.00943 
1 1 1  -20    1   22 o  290.359   14.154  1067.86  102.629  1303.09  206.142  990.341  118.336  314.249   26.517  278.220   17.116 36.02908 31.56063 
1 1 1  -20    1   23 o   64.638   30.106 -89.7972  118.468 -89.7972  118.468   0.0000   0.0000   64.638   30.106  ?   ?  0.000000 30.10583 
1 1 1  -20    1   24 o   85.138   19.577   97.109   40.751   87.207  131.482   98.161   42.862   94.194   37.415   85.465   20.372 8.729340 42.60182 
1 1 1  -20    1   25 o  197.674   14.851  501.199   72.771  392.995  164.869  527.381   81.099  161.617   40.835  202.301   16.189 -40.68420 43.92715 
1 1 1  -20    1   26 o  112.522   17.785  167.192   48.313  429.617  142.915  133.333   51.336  172.307   34.419   99.124   21.368 73.18277 40.51248 
1 1 1  -20    1   27 o  173.081   14.814  386.906   63.410  497.095  164.008  367.541   68.756  182.124   37.316  167.950   16.612 14.17389 40.84662 
1 1 1  -20    1   28 o   65.774   19.926   57.802   35.552  139.640  152.221   53.080   36.563  102.963   40.460   63.655   20.355 39.30774 45.29211 
1 1 1  -20    1   29 o  209.939   14.512  570.727   75.613  684.666  191.435  549.666   82.305  210.585   37.792  205.115   16.201 5.470581 41.11815 
1 1 1  -20    1   30 o  145.429   16.045  278.434   57.301  263.566  177.332  280.168   60.549  123.634   44.714  145.442   16.991 -21.80849 47.83398 
1 1 1  -20    1   31 o  169.400   36.739  455.497  150.940   0.0000   0.0000  455.497  150.940  ?   ?   169.400   36.739 0.000000 36.73906 
1 1 1  -20    1   32 o   75.583   33.345   20.693  123.012   0.0000   0.0000   20.693  123.012  ?   ?    75.583   33.345 0.000000 33.34518 
1 1 1  -20    1   33 f   87.065   36.277   91.815  130.857   0.0000   0.0000   91.815  130.857  ?   ?    87.065   36.277 0.000000 36.27716 
1 1 1  -20    1   34 o  148.699   40.429  398.793  154.075   0.0000   0.0000  398.793  154.075  ?   ?   148.699   40.429 0.000000 40.42892 
1 1 1  -20    1   35 o   79.781   34.074   71.699  120.151   0.0000   0.0000   71.699  120.151  ?   ?    79.781   34.074 0.000000 34.07364 
1 1 1  -20    2    1 o  425.473   15.061  2284.25  160.017  2416.45  225.376  2149.87  227.231  435.577   20.720  409.653   22.297 25.92404 30.43784 
1 1 1  -20    2    2 o  137.796   10.796  239.799   36.852  230.583   49.460  251.301   55.253  134.388   14.994  140.145   16.079 -5.757553 21.98527 
1 1 1  -20    2    3 o  148.159   11.433  277.348   41.971  270.785   57.680  284.732   61.188  145.530   16.144  149.154   16.715 -3.623657 23.23827 
1 1 1  -20    2    4 f  447.869   15.510  2532.30  173.460  2577.21  244.206  2486.57  246.428  449.441   21.759  440.625   22.471 8.815918 31.27895 
1 1 1  -20    2    5 o  246.274   11.704  762.059   71.979  814.342  100.513  707.026  103.124  253.416   15.965  235.644   17.653 17.77187 23.80137 
1 1 1  -20    2    6 o  126.458   11.648  202.586   36.370  212.207   49.421  191.219   53.718  128.719   15.700  121.538   18.264 7.180481 24.08480 
1 1 1  -20    2    7 o  290.675   16.850  1072.20  121.787  1094.20  179.387  1053.40  165.871  290.915   24.934  285.978   23.432 4.937439 34.21665 
1 1 1  -20    2    8 o  359.000   19.055  1640.56  170.215  1587.11  246.379  1689.36  235.436  348.996   28.520  361.249   26.279 -12.25244 38.78056 
1 1 1  -20    2    9 o  193.137   15.352  473.709   73.432  505.011  116.023  452.791   94.847  197.141   24.067  187.537   20.592 9.603867 31.67430 
1 1 1  -20    2   10 o  347.847   13.486  1523.59  117.146  1582.84  164.873  1463.18  166.478  352.677   18.788  338.703   19.769 13.97394 27.27277 
1 1 1  -20    2   11 o  256.319   10.864  824.873   69.537  769.582   96.752  883.952  100.010  246.332   15.812  264.214   15.222 -17.88219 21.94857 
1 1 1  -20    2   12 o   85.365   13.775   94.073   28.365   97.153   37.977   90.186   42.658   85.955   18.257   82.563   20.723 3.391655 27.61754 
1 1 1  -20    2   13 o  189.010   10.851  450.036   51.000  450.931   70.885  449.076   73.433  188.405   15.196  187.883   15.798 0.5211487 21.92007 
1 1 1  -20    2   14 o  245.404   10.706  756.154   65.606  733.901   91.752  779.432   93.843  240.588   15.352  247.997   15.227 -7.408432 21.62273 
1 1 1  -20    2   15 o  349.558   12.360  1537.28  107.893  1532.35  152.140  1542.26  153.031  347.226   17.604  348.334   17.650 -1.107513 24.92832 
1 1 1  -20    2   16 o  394.388   13.994  1961.43  137.817  1954.28  194.572  1968.63  195.236  391.190   19.984  392.630   19.978 -1.440308 28.25804 
1 1 1  -20    2   17 o  263.659   11.768  874.257   77.483  861.598  108.946  887.214  110.220  260.243   16.855  264.114   16.799 -3.870697 23.79671 
1 1 1  -20    2   18 o  265.242   11.428  884.639   75.697  844.884  106.238  925.637  107.886  257.703   16.597  269.934   16.078 -12.23117 23.10744 
1 1 1  -20    2   19 o  289.889   11.932  1057.74   86.376  1008.78  122.509  1106.14  121.804  281.285   17.528  294.897   16.608 -13.61261 24.14647 
1 1 1  -20    2   20 o  264.908   16.631  894.092  109.459  850.301  138.643  966.555  178.345  256.454   21.858  271.356   26.663 -14.90198 34.47731 
1 1 1  -20    2   21 f  290.194   11.666  1060.71   84.540  1096.19  120.364  1026.17  118.768  293.293   16.501  283.622   16.845 9.671265 23.58023 
1 1 1  -20    2   22 o  165.907   16.617  353.627   67.918   0.0000   0.0000  353.627   67.918  ?   ?   165.907   16.617 0.000000 16.61684 
1 1 1  -20    2   23 o   47.900   18.604   19.123   31.884   16.694  119.112   19.311   33.092   79.418   33.923   48.563   18.927 30.85506 38.84571 
1 1 1  -20    2   24 o  123.521   16.153  197.849   48.630  123.382  134.964  208.960   52.132  102.063   38.618  126.785   16.886 -24.72141 42.14826 
1 1 1  -20    2   25 f   91.421   18.723  111.490   41.307  142.702  134.688  108.249   43.398  105.288   38.832   89.777   19.882 15.51127 43.62621 
1 1 1  -20    2   26 o  188.359   16.796  459.703   78.172  586.113  164.974  423.103   88.770  202.803   33.763  179.209   20.188 23.59338 39.33768 
1 1 1  -20    2   27 o  202.873   16.501  533.936   82.873  888.265  181.494  440.600   93.150  252.766   29.297  182.124   20.858 70.64154 35.96331 
1 1 1  -20    2   28 o  213.937   14.952  591.346   79.378  609.685  188.801  587.408   87.486  199.231   39.345  212.385   16.628 -13.15349 42.71430 
1 1 1  -20    2   29 o  125.138   16.363  206.333   49.909  247.067  168.261  202.404   52.261  123.057   43.664  123.499   17.430 -0.4427795 47.01469 
1 1 1  -20    2   30 o  119.234   16.815  188.786   48.677  256.609  168.305  182.594   50.850  123.394   43.682  116.726   18.026 6.667816 47.25526 
1 1 1  -20    2   31 o   90.433   19.190  112.242   41.995  173.110  172.351  108.400   43.300  106.910   42.719   88.531   20.051 18.37897 47.19042 
1 1 1  -20    2   32 o  190.184   36.479  572.912  166.943   0.0000   0.0000  572.912  166.943  ?   ?   190.184   36.479 0.000000 36.47860 
1 1 1  -20    2   33 o   85.398   35.542   83.111  125.407   0.0000   0.0000   83.111  125.407  ?   ?    85.398   35.542 0.000000 35.54231 
1 1 1  -20    2   34 o  120.109   40.021  259.958  140.606   0.0000   0.0000  259.958  140.606  ?   ?   120.109   40.021 0.000000 40.02077 
1 1 1  -20    2   35 o  178.759   37.965  551.243  164.241   0.0000   0.0000  551.243  164.241  ?   ?   178.759   37.965 0.000000 37.96526 
1 1 1  -20    3    1 o  349.491   12.748  1536.88  111.259  1623.90  156.107  1447.04  158.611  358.049   17.459  337.068   18.920 20.98141 25.74497 
1 1 1  -20    3    2 o  179.788   10.907  407.327   48.739  420.456   66.401  391.992   71.766  181.996   14.737  175.297   16.592 6.699356 22.19150 
1 1 1  -20    3    3 o  170.444   11.334  366.500   47.966  389.832   65.226  339.024   70.782  175.140   15.060  162.668   17.711 12.47215 23.24851 
1 1 1  -20    3    4 o  282.076   13.228  1001.59   93.175  1084.02  115.949  851.329  156.547  292.501   15.934  256.382   24.760 36.11865 29.44377 
1 1 1  -20    3    5 o  274.370   16.539  955.221  112.790  949.348  166.163  960.240  153.596  270.833   24.846  273.176   22.722 -2.342743 33.66893 
1 1 1  -20    3    6 o  115.501   17.503  172.582   48.901  185.963   85.201  166.009   59.716  117.491   29.173  112.193   22.101 5.298462 36.59975 
1 1 1  -20    3    7 o   70.258   21.122   63.577   40.061   44.246   76.165   70.971   47.103   73.239   28.668   74.468   23.007 -1.229019 36.75845 
1 1 1  -20    3    8 o   66.430   21.211   55.237   39.714   85.308   79.156   45.122   45.910   85.319   29.982   63.863   22.792 21.45613 37.66155 
1 1 1  -20    3    9 o   96.043   13.021  118.155   30.425  109.365   40.816  129.145   45.640   91.268   18.541   99.256   19.107 -7.988274 26.62434 
1 1 1  -20    3   10 o  170.290   10.880  365.543   46.024  345.510   63.030  388.423   67.362  164.718   15.506  174.710   15.604 -9.992325 21.99835 
1 1 1  -20    3   11 o  565.698   18.557  4060.75  262.142  4015.52  369.768  4106.45  371.688  557.884   26.542  564.277   26.378 -6.393311 37.42003 
1 1 1  -20    3   12 o  272.629   11.468  933.865   78.078  902.369  108.779  967.334  112.135  266.637   16.417  276.124   16.335 -9.486206 23.15925 
1 1 1  -20    3   13 o  181.876   11.371  417.191   51.384  434.224   71.396  398.889   74.010  184.765   15.620  176.733   16.979 8.032333 23.07093 
1 1 1  -20    3   14 o  147.089   11.684  273.619   42.564  309.422   58.668  233.833   61.846  155.813   15.275  134.423   18.950 21.38992 24.33963 
1 1 1  -20    3   15 o  227.770   12.250  654.444   69.417  680.132   97.282  627.795   99.085  231.144   16.973  221.741   18.051 9.402328 24.77698 
1 1 1  -20    3   16 o  198.020   11.382  494.414   56.044  531.009   78.336  456.044   80.215  204.425   15.460  188.957   17.188 15.46788 23.11740 
1 1 1  -20    3   17 o   89.749   13.824  103.870   29.988  122.605   40.042   79.939   45.255   96.974   17.163   77.998   22.181 18.97521 28.04615 
1 1 1  -20    3   18 o  124.026   12.335  195.504   37.696  207.704   51.797  181.766   54.965  126.974   16.744  118.031   19.317 8.943130 25.56377 
1 1 1  -20    3   19 o  359.293   13.066  1627.35  117.232  1558.88  165.670  1696.02  165.914  349.290   19.066  365.164   18.195 -15.87350 26.35426 
1 1 1  -20    3   20 o  249.283   17.229  793.179  106.593  868.330  136.118  674.022  171.398  259.466   21.193  224.016   31.510 35.45059 37.97419 
1 1 1  -20    3   21 o  240.184   17.662  738.346  105.190   0.0000   0.0000  738.346  105.190  ?   ?   240.184   17.662 0.000000 17.66197 
1 1 1  -20    3   22 o   84.896   19.068   95.743   39.436   95.743   39.436   0.0000   0.0000   84.896   19.068  ?   ?  0.000000 19.06779 
1 1 1  -20    3   23 f  211.002   14.062  566.672   73.668  645.857  165.518  547.111   82.265  217.694   31.352  206.713   16.063 10.98074 35.22678 
1 1 1  -20    3   24 o  120.903   16.536  189.923   48.615  304.754  137.376  173.483   51.979  145.117   37.603  114.816   18.778 30.30064 42.03084 
1 1 1  -20    3   25 o  163.130   14.998  341.953   60.412  352.349  150.727  339.963   65.940  154.483   39.051  162.169   16.513 -7.686523 42.39914 
1 1 1  -20    3   26 o  117.493   16.563  180.466   47.249  225.345  143.942  175.046   50.020  123.431   40.463  115.241   17.968 8.189812 44.27240 
1 1 1  -20    3   27 o  130.036   17.547  222.221   55.525  400.676  154.379  195.706   59.507  162.869   38.556  120.836   20.450 42.03291 43.64341 
1 1 1  -20    3   28 o  135.055   16.777  239.314   55.362   97.628  157.713  259.226   59.124   97.298   40.122  140.459   17.217 -43.16095 43.65967 
1 1 1  -20    3   29 o  162.467   15.401  343.624   61.739  507.242  179.852  321.768   65.733  178.350   41.210  156.434   17.106 21.91663 44.61940 
1 1 1  -20    3   30 o  104.686   18.822  148.177   47.396  181.515  171.915  145.435   49.307  110.023   43.069  103.283   19.839 6.739960 47.41819 
1 1 1  -20    3   31 o  108.844   17.836  159.308   46.798  143.656  182.967  160.404   48.408  103.582   43.006  108.966   18.448 -5.384377 46.79565 
1 1 1  -20    3   32 o   93.805   36.673  121.366  124.524   0.0000   0.0000  121.366  124.524  ?   ?    93.805   36.673 0.000000 36.67305 
1 1 1  -20    3   33 o  193.196   36.505  596.710  169.662   0.0000   0.0000  596.710  169.662  ?   ?   193.196   36.505 0.000000 36.50479 
1 1 1  -20    3   34 o   67.883   31.296 -32.4012  123.164   0.0000   0.0000 -32.4012  123.164  ?   ?    67.883   31.296 0.000000 31.29581 
1 1 1  -20    3   35 o  158.297   39.458  442.719  155.425   0.0000   0.0000  442.719  155.425  ?   ?   158.297   39.458 0.000000 39.45790 
1 1 1  -20    3   36 o   90.454   37.027  129.260  133.109   0.0000   0.0000  129.260  133.109  ?   ?    90.454   37.027 0.000000 37.02736 
1 1 1  -20    4    1 o  467.595   22.173  2795.27  258.914  3021.77  370.201  2578.40  362.247  479.959   31.054  441.784   33.076 38.17487 45.36884 
1 1 1  -20    4    2 o  419.495   20.599  2242.15  215.789  2352.42  309.478  2137.81  301.039  424.431   29.380  404.117   30.046 20.31326 42.02297 
1 1 1  -20    4    3 o  228.877   15.361  664.325   87.285  755.214  132.133  593.957  116.264  242.192   22.091  214.588   22.008 27.60356 31.18235 
1 1 1  -20    4    4 o  143.573   16.416  263.926   57.798  197.028   92.837  306.265   73.856  120.667   30.727  154.034   19.648 -33.36644 36.47214 
1 1 1  -20    4    5 o  194.305   15.482  479.663   74.495  495.562  115.676  468.396   97.377  195.151   24.260  190.685   20.787 4.466293 31.94745 
1 1 1  -20    4    6 o  321.135   17.294  1309.45  138.173  1503.21  204.776  1147.49  187.214  341.512   24.168  297.656   25.431 43.85602 35.08291 
1 1 1  -20    4    7 o  162.067   13.739  333.176   55.082  415.744  101.961  299.150   65.455  178.782   23.400  152.739   17.475 26.04314 29.20509 
1 1 1  -20    4    8 f  170.731   11.357  367.755   48.145  379.391   66.200  354.692   70.145  172.663   15.519  166.559   17.108 6.103622 23.09810 
1 1 1  -20    4    9 o   98.744   13.244  124.887   31.834  122.503   42.469  127.943   48.094   96.773   18.243   98.555   20.220 -1.782211 27.23322 
1 1 1  -20    4   10 o  541.414   17.676  3714.28  238.979  3717.36  336.967  3711.16  338.977  537.661   25.097  537.103   25.273 0.5581055 35.61764 
1 1 1  -20    4   11 o  561.937   19.067  4011.17  267.565  4010.24  377.534  4012.10  379.259  557.015   27.142  557.059   27.264 -0.4357910E-01 38.47056 
1 1 1  -20    4   12 o  206.320   11.382  536.407   58.415  576.169   81.268  493.903   84.023  213.071   15.377  196.758   17.276 16.31361 23.12789 
1 1 1  -20    4   13 f  166.102   10.951  347.971   45.167  353.030   62.015  342.256   65.915  166.574   15.072  163.723   16.341 2.850784 22.23013 
1 1 1  -20    4   14 o   96.554   13.729  119.766   32.170  130.502   42.859  105.912   48.687  100.023   17.812   89.311   21.979 10.71207 28.29072 
1 1 1  -20    4   15 o  163.703   11.009  338.128   44.742  326.452   61.504  351.253   65.209  159.994   15.592  165.940   15.932 -5.946198 22.29231 
1 1 1  -20    4   16 o  173.462   11.174  379.618   48.146  370.727   66.473  389.429   69.828  170.531   15.789  174.724   16.188 -4.193237 22.61253 
1 1 1  -20    4   17 o   83.486   14.379   90.388   28.896   86.562   37.920   95.686   44.625   80.914   19.078   84.917   21.129 -4.003418 28.46764 
1 1 1  -20    4   18 o  125.380   12.142  199.651   37.541  199.797   51.021  199.478   55.434  124.468   16.848  123.981   18.469 0.4874954 24.99885 
1 1 1  -20    4   19 o  177.049   11.848  396.214   52.080  408.083   72.909  383.849   74.417  178.686   16.527  173.019   17.463 5.667023 24.04333 
1 1 1  -20    4   20 o  247.818   16.333  782.206  100.510  735.928  125.602  864.607  167.601  238.702   21.295  256.623   26.537 -17.92119 34.02455 
1 1 1  -20    4   21 o  139.395   16.274  249.866   55.584  287.336   62.023   97.011  125.270  149.443   16.918   96.595   37.048 52.84747 40.72782 
1 1 1  -20    4   22 o  118.725   12.626  179.868   36.858  195.706   49.692  160.498   54.955  122.986   16.605  110.089   20.751 12.89690 26.57682 
1 1 1  -20    4   23 o  358.277   13.403  1624.53  119.913  1681.76  169.987  1567.85  169.182  361.697   18.886  348.872   19.497 12.82468 27.14435 
1 1 1  -20    4   24 o  365.582   15.431  1701.96  140.878  1927.16  264.042  1612.34  166.567  379.755   28.042  353.632   18.931 26.12286 33.83334 
1 1 1  -20    4   25 o  158.268   14.658  321.523   57.274  531.510  155.491  288.560   61.606  194.714   33.167  149.210   16.828 45.50471 37.19191 
1 1 1  -20    4   26 o  144.309   15.884  269.712   56.292  309.831  149.344  263.069   60.775  143.398   40.126  141.960   17.515 1.438141 43.78230 
1 1 1  -20    4   27 o  106.011   19.683  150.651   50.188   78.475  141.182  161.091   53.695   92.691   38.060  109.458   20.395 -16.76727 43.18022 
1 1 1  -20    4   28 o  114.162   17.245  172.229   47.630  368.005  155.600  151.988   50.031  153.694   40.114  106.291   19.570 47.40352 44.63335 
1 1 1  -20    4   29 o   73.253   20.236   73.157   38.243  184.352  155.725   66.021   39.451  111.462   41.626   69.937   20.946 41.52459 46.59901 
1 1 1  -20    4   30 o  111.021   17.396  164.365   46.644  438.112  171.634  142.535   48.469  163.553   41.851  102.355   19.678 61.19814 46.24611 
1 1 1  -20    4   31 o  173.532   15.344  393.418   65.805  644.171  197.598  362.139   69.789  199.157   41.095  165.546   17.130 33.61174 44.52196 
1 1 1  -20    4   32 o   79.152   20.258   87.014   40.208  224.221  183.466   80.091   41.210  115.341   44.674   75.877   21.024 39.46404 49.37412 
1 1 1  -20    4   33 o  141.075   39.563  336.870  145.016   0.0000   0.0000  336.870  145.016  ?   ?   141.075   39.563 0.000000 39.56307 
1 1 1  -20    4   34 o  247.706   35.191  971.682  211.561   0.0000   0.0000  971.682  211.561  ?   ?   247.706   35.191 0.000000 35.19116 
1 1 1  -20    4   35 o  115.608   41.590  248.914  153.155   0.0000   0.0000  248.914  153.155  ?   ?   115.608   41.590 0.000000 41.58997 
1 1 1  -20    4   36 o   73.005   33.013   12.821  128.723   0.0000   0.0000   12.821  128.723  ?   ?    73.005   33.013 0.000000 33.01269 
1 1 1  -20    5    1 f  378.406   13.622  1804.44  128.719  1973.37  180.520  1629.72  183.591  394.255   18.336  356.925   20.687 37.32959 27.64299 
1 1 1  -20    5    2 o  191.562   11.215  462.582   53.417  501.304   72.844  417.537   78.565  198.772   14.781  180.664   17.639 18.10793 23.01376 
1 1 1  -20    5    3 o  167.051   10.886  351.917   45.165  370.432   61.182  329.744   66.953  170.774   14.483  160.527   16.959 10.24773 22.30161 
1 1 1  -20    5    4 f  222.228   11.355  622.075   62.804  715.627   87.024  520.391   90.727  237.711   14.733  201.752   18.204 35.95880 23.41900 
1 1 1  -20    5    5 o  253.926   11.099  809.871   70.379  801.160   97.145  819.494  102.102  251.378   15.552  254.092   16.176 -2.714798 22.43900 
1 1 1  -20    5    6 o  167.296   11.157  353.086   46.343  376.762   63.444  325.999   67.858  172.167   14.904  159.541   17.310 12.62613 22.84207 
1 1 1  -20    5    7 o  262.495   11.489  865.783   75.309  908.244  104.916  820.651  108.165  267.664   15.766  254.027   17.152 13.63629 23.29698 
1 1 1  -20    5    8 o  207.700   10.972  543.233   56.707  499.686   77.754  592.714   82.884  198.249   15.838  216.107   15.461 -17.85747 22.13320 
1 1 1  -20    5    9 o  203.798   11.055  523.138   56.050  503.313   77.124  545.331   81.599  199.014   15.645  207.146   15.896 -8.132019 22.30330 
1 1 1  -20    5   10 o  305.517   12.088  1173.65   92.221  1186.53  128.821  1160.11  132.081  305.711   16.940  302.084   17.585 3.627258 24.41743 
1 1 1  -20    5   11 o  284.676   12.342  1019.33   87.735  1103.81  122.810  931.261  125.383  294.878   16.747  270.213   18.696 24.66452 25.10016 
1 1 1  -20    5   12 o  158.183   11.264  315.914   44.205  288.529   60.041  348.329   65.323  150.204   16.267  165.247   16.032 -15.04326 22.83937 
1 1 1  -20    5   13 o  367.840   13.001  1703.48  119.421  1662.13  167.195  1746.55  170.630  361.341   18.592  370.922   18.421 -9.581360 26.17274 
1 1 1  -20    5   14 o  258.931   11.880  843.008   76.819  766.858  106.556  925.417  110.848  245.365   17.505  269.928   16.524 -24.56302 24.07271 
1 1 1  -20    5   15 o  138.958   11.867  244.541   40.784  236.537   55.405  254.008   60.256  135.708   16.702  140.502   17.557 -4.794037 24.23202 
1 1 1  -20    5   16 o  161.023   11.416  327.513   45.608  306.092   62.566  351.803   66.624  154.663   16.452  165.964   16.285 -11.30116 23.14898 
1 1 1  -20    5   17 o  111.007   12.974  157.277   35.285  133.643   47.303  186.924   52.980  100.826   19.492  120.015   18.253 -19.18882 26.70430 
1 1 1  -20    5   18 o  204.165   11.654  525.980   59.168  574.619   82.558  474.614   84.841  212.554   15.664  192.519   17.850 20.03455 23.74881 
1 1 1  -20    5   19 o  166.324   11.535  349.652   47.614  350.844   65.740  348.338   69.055  165.666   16.094  164.842   17.021 0.8238373 23.42462 
1 1 1  -20    5   20 o  128.988   35.521  230.805  118.052   0.0000   0.0000  230.805  118.052  ?   ?   128.988   35.521 0.000000 35.52145 
1 1 1  -20    5   21 o  101.619   18.311  135.478   44.757  135.478   44.757   0.0000   0.0000  101.619   18.311  ?   ?  0.000000 18.31079 
1 1 1  -20    5   22 o   80.502   14.367   84.441   27.821   84.734   35.767   83.992   44.270   79.920   18.314   79.433   21.702 0.4863434 28.39695 
1 1 1  -20    5   23 o  398.628   14.579  2016.01  145.126  1866.03  204.303  2168.77  206.188  379.356   21.656  410.528   20.113 -31.17157 29.55523 
1 1 1  -20    5   24 o  313.685   12.849  1245.49  100.654  1219.57  142.550  1271.27  142.143  307.592   18.646  314.303   18.188 -6.710663 26.04802 
1 1 1  -20    5   25 o  175.077   15.824  394.476   68.435  196.329  150.448  446.171   76.845  118.404   41.349  185.964   16.727 -67.55955 44.60447 
1 1 1  -20    5   26 o   42.503   18.096   1.6427   33.696 -55.5785  129.372   5.8071   34.901   71.233   32.555   44.516   18.657 26.71701 37.52235 
1 1 1  -20    5   27 o  173.197   18.585  393.084   79.125  253.363  164.548  435.108   90.243  128.553   43.295  181.536   20.252 -52.98270 47.79785 
1 1 1  -20    5   28 o  105.163   18.990  148.194   48.036  377.075  154.153  123.579   50.553  156.314   39.481   94.956   21.782 61.35814 45.09095 
1 1 1  -20    5   29 o   87.111   19.497  103.292   41.355  115.936  150.692  102.262   43.006   98.748   39.772   86.455   20.272 12.29226 44.63991 
1 1 1  -20    5   30 o  130.430   16.835  224.679   53.553  387.726  174.693  207.767   56.262  152.033   43.693  124.594   18.657 27.43866 47.50984 
1 1 1  -20    5   31 o   55.208   19.590   36.403   33.870 -69.6881  164.784   41.082   34.609   75.987   35.430   57.498   19.846 18.48853 40.60983 
1 1 1  -20    5   32 o   48.606   19.197   20.021   34.427  328.146  190.864   9.6590   35.001  134.157   46.589   45.245   18.799 88.91198 50.23899 
1 1 1  -20    5   33 o  177.723   38.158  511.819  164.288   0.0000   0.0000  511.819  164.288  ?   ?   177.723   38.158 0.000000 38.15792 
1 1 1  -20    5   34 o  175.189   40.316  521.947  172.714   0.0000   0.0000  521.947  172.714  ?   ?   175.189   40.316 0.000000 40.31617 
1 1 1  -20    5   35 o   73.801   33.461   0.8828  133.257   0.0000   0.0000   0.8828  133.257  ?   ?    73.801   33.461 0.000000 33.46109 
1 1 1  -20    5   36 o  110.901   41.714  235.271  156.930   0.0000   0.0000  235.271  156.930  ?   ?   110.901   41.714 0.000000 41.71413 
1 1 1  -20    6    1 o  189.042   10.981  450.473   51.615  401.835   69.221  511.382   77.462  177.587   15.773  200.540   15.591 -22.95377 22.17790 
1 1 1  -20    6    2 o  205.302   10.947  530.960   55.921  539.570   76.296  520.964   82.203  206.194   14.918  202.241   16.419 3.952866 22.18393 
1 1 1  -20    6    3 o  199.744   10.966  502.663   54.488  536.226   74.257  463.511   80.201  205.640   14.554  190.557   17.034 15.08339 22.40483 
1 1 1  -20    6    4 o  202.760   10.781  517.733   54.389  479.266   73.521  564.233   80.833  194.208   15.283  210.775   15.465 -16.56706 21.74289 
1 1 1  -20    6    5 o  152.574   11.580  294.239   43.792  345.037   59.609  234.672   64.549  164.731   14.643  134.436   19.822 30.29494 24.64439 
1 1 1  -20    6    6 o  172.263   10.945  374.180   46.837  387.674   63.596  358.186   69.239  174.676   14.717  167.409   16.788 7.266251 22.32574 
1 1 1  -20    6    7 o  138.327   11.552  242.119   39.539  254.664   53.467  226.979   58.737  141.183   15.416  132.574   18.224 8.609772 23.86978 
1 1 1  -20    6    8 o  304.707   12.224  1167.77   93.016  1336.28  130.564  994.112  132.548  325.087   16.083  279.050   19.137 46.03650 24.99784 
1 1 1  -20    6    9 o  206.473   11.533  537.395   59.224  600.759   82.228  469.092   85.372  217.603   15.228  191.493   18.066 26.10934 23.62829 
1 1 1  -20    6   10 o   55.183   17.452   38.056   26.934   35.136   34.868   42.377   42.413   56.163   19.882   61.675   21.918 -5.512161 29.59245 
1 1 1  -20    6   11 o  189.837   11.413  454.462   53.851  478.929   74.108  427.088   78.387  194.127   15.414  182.803   17.381 11.32440 23.23103 
1 1 1  -20    6   12 f  186.600   11.859  439.518   54.974  441.983   75.799  436.783   79.848  186.197   16.472  184.845   17.507 1.351456 24.03794 
1 1 1  -20    6   13 f  211.255   10.768  561.895   56.617  543.311   77.883  582.723   82.450  206.872   15.182  214.204   15.519 -7.331985 21.71033 
1 1 1  -20    6   14 o  340.649   13.397  1462.04  113.964  1492.23  159.735  1430.74  162.643  342.185   18.765  334.754   19.541 7.431213 27.09213 
1 1 1  -20    6   15 o  269.332   11.584  911.955   77.908  844.394  108.037  985.151  112.452  257.649   16.885  278.562   16.236 -20.91339 23.42468 
1 1 1  -20    6   16 o  183.131   11.223  423.045   51.076  428.789   69.931  416.476   74.778  183.560   15.398  180.571   16.775 2.989670 22.77078 
1 1 1  -20    6   17 o  169.681   11.348  363.552   47.806  347.069   65.200  382.717   70.303  164.844   16.042  173.077   16.465 -8.232529 22.98766 
1 1 1  -20    6   18 o  285.113   13.066  1024.57   93.028  1050.01  130.628  998.384  132.516  286.782   18.336  279.349   19.111 7.433594 26.48510 
1 1 1  -20    6   19 o  307.865   18.236  1210.11  139.575   0.0000   0.0000  1210.11  139.575  ?   ?   307.865   18.236 0.000000 18.23625 
1 1 1  -20    6   20 o  136.799   18.972  242.987   63.067  242.987   63.067   0.0000   0.0000  136.799   18.972  ?   ?  0.000000 18.97227 
1 1 1  -20    6   21 o  174.576   13.735  387.470   59.393  347.219   66.109  555.938  135.247  164.585   16.299  204.665   27.131 -40.08000 31.65084 
1 1 1  -20    6   22 o  130.630   11.912  216.907   38.431  176.082   51.356  268.858   57.934  116.084   18.324  144.528   16.339 -28.44351 24.55079 
1 1 1  -20    6   23 o  214.424   11.941  582.062   63.683  570.595   88.438  594.412   91.777  210.839   16.940  215.121   17.229 -4.281250 24.16221 
1 1 1  -20    6   24 o   90.862   13.952  107.060   30.645  109.720   40.284  103.406   47.213   90.937   18.372   87.620   21.693 3.317581 28.42737 
1 1 1  -20    6   25 o  115.540   12.369  170.869   35.134  169.962   46.726  172.048   53.291  114.041   16.921  113.995   19.416 0.4681396E-01 25.75493 
1 1 1  -20    6   26 o  144.612   11.546  266.268   41.348  265.110   56.647  267.589   60.492  142.995   16.147  143.305   17.250 -0.3103180 23.62806 
1 1 1  -20    6   27 o  206.666   15.282  550.076   78.306  610.655  175.867  535.096   87.454  205.144   35.622  202.895   17.430 2.249603 39.65788 
1 1 1  -20    6   28 o   77.184   21.944   81.112   44.299  141.064  142.435   74.692   46.610  103.512   39.551   74.521   22.864 28.99126 45.68415 
1 1 1  -20    6   29 o  111.280   18.486  165.547   49.568  337.736  161.709  147.690   52.075  144.580   42.180  104.128   20.755 40.45168 47.00977 
1 1 1  -20    6   30 o  119.385   17.184  189.070   49.753  379.810  170.635  171.348   52.013  151.223   43.094  112.768   19.156 38.45500 47.16000 
1 1 1  -20    6   31 o  103.969   18.342  145.795   45.880  306.439  178.293  134.403   47.479  132.961   45.066   99.134   19.871 33.82714 49.25246 
1 1 1  -20    6   32 o   94.292   19.820  122.273   45.189  242.327  198.800  115.732   46.403  119.049   46.394   91.315   20.813 27.73478 50.84846 
1 1 1  -20    6   33 o  139.537   17.773  260.665   60.525  296.331  210.649  257.456   63.190  125.574   48.070  138.123   18.809 -12.54847 51.61918 
1 1 1  -20    6   34 o  151.963   41.570  403.972  162.312   0.0000   0.0000  403.972  162.312  ?   ?   151.963   41.570 0.000000 41.57033 
1 1 1  -20    6   35 o  121.791   42.011  273.555  155.070   0.0000   0.0000  273.555  155.070  ?   ?   121.791   42.011 0.000000 42.01088 
1 1 1  -20    6   36 o   91.442   38.575  118.580  150.803   0.0000   0.0000  118.580  150.803  ?   ?    91.442   38.575 0.000000 38.57549 
1 1 1  -20    7    1 o   87.957   15.277  100.524   32.337  100.297   42.040  100.853   50.605   87.042   19.789   87.085   22.948 -0.4251099E-01 30.30217 
1 1 1  -20    7    2 o  290.839   11.926  1064.10   86.614  1050.59  119.602  1079.00  125.600  287.484   16.732  291.165   17.353 -3.680420 24.10598 
1 1 1  -20    7    3 o  142.276   11.791  256.288   41.515  260.920   55.495  250.401   62.561  142.787   15.830  139.236   18.447 3.550842 24.30829 
1 1 1  -20    7    4 o  181.659   11.210  416.255   50.606  461.016   68.643  362.964   74.900  190.580   14.533  168.154   18.123 22.42549 23.23075 
1 1 1  -20    7    5 o  221.184   11.130  616.240   61.276  612.486   83.656  620.586   90.007  219.644   15.349  220.833   16.439 -1.189331 22.49067 
1 1 1  -20    7    6 o   72.043   16.726   68.309   29.512   64.280   38.541   74.020   45.888   70.335   20.613   75.522   22.584 -5.186256 30.57625 
1 1 1  -20    7    7 o  287.656   12.100  1040.81   86.915  1047.56  120.508  1033.50  125.473  287.116   16.882  284.924   17.723 2.191376 24.47642 
1 1 1  -20    7    8 o  160.102   11.526  323.824   45.774  329.748   62.008  316.730   67.856  160.790   15.641  157.115   17.597 3.675385 23.54380 
1 1 1  -20    7    9 o  146.374   11.639  271.005   42.193  278.159   56.933  262.289   62.845  147.545   15.693  142.699   18.039 4.846268 23.90969 
1 1 1  -20    7   10 o   72.573   16.873   69.327   29.999   90.824   39.620   40.441   45.926   82.881   19.473   62.064   22.708 20.81615 29.91411 
1 1 1  -20    7   11 o   91.205   14.668  107.547   32.275  121.139   42.901   89.823   48.991   96.111   18.547   82.487   22.947 13.62392 29.50502 
1 1 1  -20    7   12 o  130.115   12.657  215.065   40.605  222.150   54.588  206.289   60.752  131.374   17.041  125.808   20.008 5.566238 26.28096 
1 1 1  -20    7   13 f  252.309   11.801  800.508   74.351  835.254  103.279  763.126  107.124  256.434   16.212  244.677   17.651 11.75723 23.96607 
1 1 1  -20    7   14 o  153.352   11.656  297.357   44.301  295.505   60.043  299.571   65.630  152.020   16.060  152.739   17.524 -0.7185059 23.76981 
1 1 1  -20    7   15 o  266.701   12.610  895.507   83.981  926.417  117.204  862.891  120.395  269.699   17.497  259.891   18.676 9.808228 25.59142 
1 1 1  -20    7   16 o  199.443   11.309  501.620   56.092  483.277   76.937  522.432   81.954  194.794   15.956  202.483   16.347 -7.689178 22.84384 
1 1 1  -20    7   17 o  143.832   11.975  262.088   42.622  270.147   57.757  252.451   63.156  145.191   16.207  139.730   18.559 5.460846 24.63923 
1 1 1  -20    7   18 o  388.081   14.887  1904.05  144.268  1940.56  203.101  1866.87  204.964  388.887   20.992  381.098   21.626 7.789185 30.13884 
1 1 1  -20    7   19 o  140.750   17.373  255.340   59.765  295.166   68.264  124.614  123.678  151.186   18.465  102.603   37.306 48.58293 41.62601 
1 1 1  -20    7   20 o  205.933   16.707  542.037   85.174  559.592  101.983  501.555  154.868  208.292   19.847  191.557   33.600 16.73492 39.02415 
1 1 1  -20    7   21 o  116.334   16.589  175.308   46.827  186.753   50.855  111.513  120.065  119.910   17.499   98.606   36.605 21.30466 40.57234 
1 1 1  -20    7   22 o  180.185   11.915  411.224   53.311  344.151   73.173  487.100   77.828  163.141   18.275  195.082   16.120 -31.94022 24.36904 
1 1 1  -20    7   23 o  158.109   12.376  317.703   48.472  313.665   66.648  322.236   70.624  155.769   17.433  157.643   18.280 -1.874680 25.25961 
1 1 1  -20    7   24 o  187.279   11.760  444.745   54.717  428.122   75.205  463.441   79.758  182.315   16.704  189.633   17.024 -7.318008 23.85065 
1 1 1  -20    7   25 o  107.078   12.948  147.399   33.920  164.602   44.850  124.410   51.847  112.307   16.482   95.875   22.108 16.43250 27.57565 
1 1 1  -20    7   26 f  185.413   11.541  436.710   53.169  366.856   73.175  514.834   77.386  167.887   17.722  200.010   15.618 -32.12317 23.62152 
1 1 1  -20    7   27 o  174.721   12.106  389.250   52.492  340.321   72.333  443.687   76.295  161.150   18.299  184.924   16.702 -23.77371 24.77510 
1 1 1  -20    7   28 o   65.812   21.950   55.330   42.292 -25.4492  137.855   63.723   44.435   76.225   34.344   69.682   22.456 6.542717 41.03398 
1 1 1  -20    7   29 o  179.909   15.700  420.629   69.827  370.058  169.914  430.904   76.593  150.810   43.012  181.456   17.105 -30.64572 46.28881 
1 1 1  -20    7   30 o  103.341   19.766  145.050   49.149   63.991  162.468  153.216   51.565   91.706   39.406  106.104   20.199 -14.39700 44.28156 
1 1 1  -20    7   31 o   98.380   21.079  133.595   50.227  123.527  173.908  134.511   52.463  100.843   41.903   98.397   21.913 2.446526 47.28695 
1 1 1  -20    7   32 o   63.326   22.784   48.906   45.965   29.960  192.586   50.050   47.332   90.658   40.744   64.065   23.112 26.59319 46.84228 
1 1 1  -20    7   33 o  109.499   20.043  164.660   52.785 -123.5357  205.473  185.024   54.618   78.638   37.525  116.507   19.459 -37.86948 42.27039 
1 1 1  -20    7   34 o  139.204   42.705  346.922  162.608   0.0000   0.0000  346.922  162.608  ?   ?   139.204   42.705 0.000000 42.70477 
1 1 1  -20    7   35 o   92.281   38.956  109.831  153.964   0.0000   0.0000  109.831  153.964  ?   ?    92.281   38.956 0.000000 38.95626 
1 1 1  -20    7   36 o   91.300   38.923  112.451  156.282   0.0000   0.0000  112.451  156.282  ?   ?    91.300   38.923 0.000000 38.92347 
1 1 1  -20    8    1 o  330.675   12.733  1377.72  105.147  1355.63  145.718  1401.71  151.874  326.093   17.964  331.429   18.423 -5.335754 25.73140 
1 1 1  -20    8    2 o  248.658   11.400  777.553   70.788  754.639   96.622  804.100  104.003  243.633   15.970  251.325   16.666 -7.691895 23.08215 
1 1 1  -20    8    3 o  176.222   11.515  392.167   50.394  362.379   67.599  429.429   75.607  168.401   16.278  183.344   16.697 -14.94345 23.31831 
1 1 1  -20    8    4 o  345.833   12.991  1506.87  112.188  1566.19  156.639  1444.39  160.756  350.711   17.945  336.279   19.223 14.43250 26.29769 
1 1 1  -20    8    5 o  119.330   12.819  181.355   37.599  170.630   49.402  196.120   57.965  114.649   17.835  122.654   19.584 -8.004997 26.48786 
1 1 1  -20    8    6 o  194.792   11.227  478.466   54.378  505.478   73.876  446.522   80.335  199.497   14.938  186.849   17.418 12.64752 22.94599 
1 1 1  -20    8    7 o  471.293   15.844  2809.80  186.473  2816.17  261.549  2803.21  265.930  468.832   22.340  467.516   22.778 1.315796 31.90498 
1 1 1  -20    8    8 o  118.383   12.516  178.331   36.440  160.833   48.052  202.012   55.902  111.239   17.906  124.813   18.495 -13.57378 25.74300 
1 1 1  -20    8    9 o  105.809   13.153  143.153   34.005  100.926   44.358  203.333   52.955   87.241   20.677  125.502   17.362 -38.26090 26.99948 
1 1 1  -20    8   10 o  226.460   11.474  646.329   64.676  684.968   89.078  603.250   94.056  232.293   15.444  217.422   17.471 14.87123 23.31854 
1 1 1  -20    8   11 o   79.969   16.344   83.819   31.536   81.067   40.864   87.872   49.591   78.307   20.615   81.674   23.217 -3.366287 31.04843 
1 1 1  -20    8   12 o   87.398   15.485   99.339   32.560   93.195   42.478  108.091   50.698   83.850   20.466   90.124   22.575 -6.274376 30.47093 
1 1 1  -20    8   13 f  201.461   11.593  511.988   58.079  523.679   79.690  498.743   84.822  202.868   15.857  197.578   17.368 5.290070 23.51761 
1 1 1  -20    8   14 o  161.441   11.949  329.638   47.832  339.193   65.173  318.483   70.420  162.913   16.236  157.326   18.264 5.587158 24.43762 
1 1 1  -20    8   15 o  110.425   12.764  155.572   34.548  118.535   45.159  207.838   53.645   94.766   19.724  126.870   17.390 -32.10373 26.29577 
1 1 1  -20    8   16 o  156.296   11.760  309.025   45.564  326.953   61.870  287.779   67.354  160.007   15.686  149.361   18.450 10.64595 24.21718 
1 1 1  -20    8   17 o  149.767   12.198  284.235   45.226  298.683   61.449  267.159   66.803  152.682   16.372  143.627   19.099 9.055161 25.15603 
1 1 1  -20    8   18 o  238.403   18.471  727.828  109.105   0.0000   0.0000  727.828  109.105  ?   ?   238.403   18.471 0.000000 18.47071 
1 1 1  -20    8   19 o  185.276   19.468  442.941   88.724  442.941   88.724   0.0000   0.0000  185.276   19.468  ?   ?  0.000000 19.46765 
1 1 1  -20    8   20 o  131.939   17.609  225.328   56.570  257.504   63.518  101.918  124.397  140.949   18.492   97.431   37.025 43.51783 41.38617 
1 1 1  -20    8   21 o  196.188   11.893  486.947   57.993  477.093   79.275  498.292   85.059  192.992   16.611  197.002   17.471 -4.010376 24.10773 
1 1 1  -20    8   22 o  163.947   11.491  340.477   46.749  306.422   63.578  380.562   68.977  154.214   16.780  172.202   16.232 -17.98811 23.34637 
1 1 1  -20    8   23 o  250.705   12.348  794.323   77.308  743.689  107.660  848.225  111.080  240.317   18.072  257.007   17.410 -16.68941 25.09444 
1 1 1  -20    8   24 o  136.194   12.358  236.511   41.574  222.085   56.254  253.873   61.713  130.510   17.719  139.550   18.138 -9.039963 25.35607 
1 1 1  -20    8   25 f  112.996   12.837  163.889   35.579  119.000   46.845  225.086   54.696   94.074   20.518  131.457   17.064 -37.38268 26.68713 
1 1 1  -20    8   26 o  228.969   11.945  666.049   68.064  643.245   94.849  690.258   97.728  222.979   17.166  231.075   17.057 -8.096390 24.19938 
1 1 1  -20    8   27 o  205.899   12.049  539.887   61.680  554.127   86.111  524.883   88.391  206.717   16.827  200.704   17.821 6.012894 24.51043 
1 1 1  -20    8   28 o  137.558   19.065  251.050   63.729  182.107  152.229  265.701   70.174  112.296   41.304  140.941   20.542 -28.64428 46.13008 
1 1 1  -20    8   29 o  140.556   18.705  262.346   64.022  300.415  162.889  255.390   69.626  136.007   42.908  137.660   20.912 -1.652710 47.73244 
1 1 1  -20    8   30 o   69.430   22.172   64.347   43.394 -12.7583  162.557   70.263   45.028   82.161   37.131   72.104   22.531 10.05666 43.43178 
1 1 1  -20    8   31 o   76.865   22.108   81.742   44.710 -102.3689  174.568   94.667   46.252   75.445   35.584   82.458   22.039 -7.013145 41.85644 
1 1 1  -20    8   32 o   57.167   21.347   36.101   40.952   24.599  182.351   36.712   42.026   88.571   39.737   57.729   21.612 30.84243 45.23415 
1 1 1  -20    8   33 o  136.698   18.608  251.577   61.871  350.913  206.680  241.799   64.845  135.693   48.367  133.187   20.124 2.506729 52.38657 
1 1 1  -20    8   34 o   85.988   23.882  106.126   53.110   0.0000   0.0000  106.126   53.110  ?   ?    85.988   23.882 0.000000 23.88190 
1 1 1  -20    8   35 o  223.579   39.618  838.404  213.098   0.0000   0.0000  838.404  213.098  ?   ?   223.579   39.618 0.000000 39.61814 
1 1 1  -20    8   36 o  200.348   42.508  721.307  206.082   0.0000   0.0000  721.307  206.082  ?   ?   200.348   42.508 0.000000 42.50760 
1 1 1  -20    9    1 o  220.051   11.401  610.853   62.437  600.897   84.517  622.816   92.639  217.258   15.684  220.859   16.926 -3.601318 23.07495 
1 1 1  -20    9    2 o  343.064   13.078  1484.09  112.040  1444.19  155.779  1526.86  161.261  336.242   18.625  345.706   18.750 -9.464539 26.42849 
1 1 1  -20    9    3 o  238.575   11.670  716.195   69.528  727.415   94.911  703.201  102.142  239.120   15.987  234.640   17.559 4.479874 23.74679 
1 1 1  -20    9    4 o  258.889   11.635  843.218   75.219  732.070  102.507  972.883  110.717  239.555   17.251  276.684   16.094 -37.12846 23.59264 
1 1 1  -20    9    5 o  109.270   13.773  152.951   36.746  185.753   48.185  107.358   56.807  119.995   16.518   89.776   24.607 30.21815 29.63700 
1 1 1  -20    9    6 o  484.346   15.680  2968.63  189.654  2915.49  265.622  3023.90  270.879  476.748   22.311  485.513   22.342 -8.765198 31.57467 
1 1 1  -20    9    7 o  226.675   11.263  645.980   63.752  607.480   86.443  691.894   94.399  218.508   15.952  233.172   16.315 -14.66431 22.81791 
1 1 1  -20    9    8 o  139.777   12.088  247.665   41.777  267.068   55.526  222.351   63.421  144.488   15.639  130.615   20.088 13.87296 25.45747 
1 1 1  -20    9    9 o  302.821   12.579  1154.73   95.120  1197.97  131.800  1107.72  137.415  306.831   17.272  294.505   18.783 12.32568 25.51672 
1 1 1  -20    9   10 o  282.787   11.993  1006.21   84.693  1009.28  117.183  1002.84  122.545  281.725   16.732  280.558   17.580 1.167145 24.26959 
1 1 1  -20    9   11 o  319.766   12.599  1287.60  100.604  1331.18  139.950  1240.99  144.722  323.453   17.390  311.824   18.671 11.62805 25.51558 
1 1 1  -20    9   12 o  207.464   11.512  542.883   59.409  574.141   81.082  506.650   87.296  212.550   15.380  199.003   17.753 13.54608 23.48846 
1 1 1  -20    9   13 o  132.250   12.500  222.141   40.792  276.149   55.206  157.193   60.540  147.030   15.258  108.715   23.017 38.31512 27.61485 
1 1 1  -20    9   14 o  370.810   14.049  1735.43  130.092  1857.67  182.401  1608.87  185.596  381.419   19.212  354.082   21.086 27.33679 28.52539 
1 1 1  -20    9   15 o  241.015   11.335  730.488   68.224  714.607   93.738  748.376   99.485  237.049   15.928  242.442   16.531 -5.392502 22.95563 
1 1 1  -20    9   16 o  228.773   11.715  660.272   66.701  672.291   92.035  646.976   96.804  229.802   16.140  225.073   17.358 4.729645 23.70216 
1 1 1  -20    9   17 o  205.059   12.139  531.362   61.885  622.076   86.593  436.661   88.476  221.061   15.790  183.993   19.556 37.06801 25.13499 
1 1 1  -20    9   18 f  220.381   18.281  622.671   99.699  797.281  124.715  313.518  165.948  248.858   20.244  148.171   42.586 100.6868 47.15305 
1 1 1  -20    9   19 o  267.457   18.334  916.160  121.715  1030.56  155.383  734.508  195.803  282.115   22.236  231.790   34.911 50.32533 41.39111 
1 1 1  -20    9   20 o  309.587   16.193  1220.79  124.754  1302.94  148.197  1020.96  231.128  318.829   18.695  273.595   34.603 45.23395 39.33049 
1 1 1  -20    9   21 o  242.197   11.858  739.752   71.718  671.746   98.647  815.996  104.451  228.880   17.389  252.645   16.649 -23.76535 24.07450 
1 1 1  -20    9   22 o  311.042   12.701  1222.88   98.655  1230.94  138.124  1214.48  140.959  309.717   17.936  307.393   18.449 2.324280 25.73001 
1 1 1  -20    9   23 o  121.587   12.876  189.109   38.500  187.339   50.995  191.455   58.712  119.805   17.567  120.327   20.259 -0.5215378 26.81489 
1 1 1  -20    9   24 o   91.821   14.053  109.453   31.197   98.858   40.680  124.581   48.609   85.932   19.415   96.321   20.816 -10.38950 28.46503 
1 1 1  -20    9   25 o  297.598   12.640  1123.04   93.936  1123.55  131.757  1122.52  133.962  294.865   17.980  294.552   18.303 0.3136292 25.65672 
1 1 1  -20    9   26 o  270.677   12.909  931.057   87.257  903.998  122.093  959.307  124.750  263.632   18.666  271.709   18.496 -8.076721 26.27799 
1 1 1  -20    9   27 o   94.827   13.832  117.015   31.789  109.031   41.845  127.910   48.885   89.958   19.211   97.121   20.784 -7.162796 28.30298 
1 1 1  -20    9   28 o  168.722   17.677  373.150   73.371  547.776  169.447  332.854   81.398  191.652   36.743  157.631   21.217 34.02051 42.42880 
1 1 1  -20    9   29 o  242.168   13.660  753.445   82.267  771.190  106.654  727.377  129.268  242.715   17.719  232.412   22.557 10.30286 28.68435 
1 1 1  -20    9   30 o  148.898   17.330  292.586   63.233  415.737  176.579  274.470   67.724  158.180   43.395  143.184   19.444 14.99641 47.55195 
1 1 1  -20    9   31 o   84.483   22.157   99.537   47.322   35.502  168.258  105.038   49.312   88.204   38.951   86.663   22.565 1.540916 45.01521 
1 1 1  -20    9   32 o  165.894   16.555  362.608   67.666  745.680  204.662  315.594   71.699  216.469   39.309  153.330   19.142 63.13901 43.72190 
1 1 1  -20    9   33 o  180.301   17.673  432.239   78.550  273.506  214.574  456.803   84.410  122.422   48.060  184.843   18.537 -62.42085 51.51061 
1 1 1  -20    9   34 o  140.690   18.233  266.675   62.551  523.647  218.724  243.786   65.278  163.507   49.399  133.333   20.241 30.17392 53.38473 
1 1 1  -20    9   35 o  134.638   44.435  343.845  173.485   0.0000   0.0000  343.845  173.485  ?   ?   134.638   44.435 0.000000 44.43503 
1 1 1  -20    9   36 o  127.299   44.548  321.347  174.669   0.0000   0.0000  321.347  174.669  ?   ?   127.299   44.548 0.000000 44.54824 
1 1 1  -20   10    1 o   47.950   19.972   7.4182   39.643   10.455   42.583 -12.3235  108.572   50.390   20.820   72.137   31.591 -21.74725 37.83410 
1 1 1  -20   10    2 o  517.223   16.607  3397.25  214.500  3226.75  299.880  3575.87  306.941  499.505   24.041  526.347   23.352 -26.84225 33.51592 
1 1 1  -20   10    3 o  176.796   11.814  395.274   51.856  392.488   69.654  398.738   77.670  175.225   16.098  176.148   17.906 -0.9227448 24.07904 
1 1 1  -20   10    4 o  189.093   10.987  451.135   51.659  409.948   69.083  503.380   77.806  179.261   15.588  198.717   15.810 -19.45622 22.20205 
1 1 1  -20   10    5 o  266.011   11.821  890.746   78.527  902.087  107.469  877.754  115.023  266.272   16.240  262.195   17.670 4.076874 23.99966 
1 1 1  -20   10    6 o  563.777   18.159  4044.13  255.656  3942.11  358.708  4149.44  364.464  551.192   26.061  565.713   25.799 -14.52173 36.67107 
1 1 1  -20   10    7 o  239.930   11.506  724.205   68.936  731.650   94.092  715.578  101.287  239.868   15.797  236.797   17.247 3.071487 23.38818 
1 1 1  -20   10    8 o  199.530   11.258  502.221   55.865  499.752   75.413  505.224   83.165  198.171   15.359  198.868   16.907 -0.6966553 22.84163 
1 1 1  -20   10    9 o  287.016   11.856  1036.72   84.975  1056.02  116.811  1015.03  123.844  288.231   16.296  282.125   17.668 6.106293 24.03531 
1 1 1  -20   10   10 o  191.405   11.487  462.445   54.653  487.311   73.613  431.904   81.581  195.727   15.180  183.482   18.038 12.24527 23.57550 
1 1 1  -20   10   11 o  312.851   12.598  1232.98   98.424  1298.42  137.181  1163.55  141.295  319.367   17.265  301.716   18.848 17.65021 25.56019 
1 1 1  -20   10   12 o   48.763   17.800   24.703   28.195   64.571   36.064 -37.9810   45.220   70.169   19.748   40.397   18.743 29.77199 27.22599 
1 1 1  -20   10   13 o  111.758   14.054  160.090   38.354  180.894   50.765  132.421   58.546  118.070   17.768   99.467   23.874 18.60343 29.76025 
1 1 1  -20   10   14 o  312.626   13.033  1232.24  101.745  1297.48  141.779  1162.95  146.098  318.970   17.872  301.316   19.522 17.65405 26.46661 
1 1 1  -20   10   15 o  210.396   11.795  558.910   61.719  583.981   85.095  531.083   89.651  214.090   16.033  203.625   17.810 10.46474 23.96369 
1 1 1  -20   10   16 o  126.890   13.768  205.613   42.927  156.110   59.631  258.865   61.847  108.246   22.781  141.584   17.892 -33.33810 28.96723 
1 1 1  -20   10   17 o  186.870   18.229  448.859   83.985  556.454  100.865  205.650  151.647  207.788   19.673  123.529   41.564 84.25928 45.98457 
1 1 1  -20   10   18 o  102.533   20.524  139.252   50.718  139.252   50.718   0.0000   0.0000  102.533   20.524  ?   ?  0.000000 20.52445 
1 1 1  -20   10   19 o  339.190   16.342  1462.04  138.420  1568.01  165.661  1216.91  251.952  349.698   19.042  299.176   34.347 50.52225 39.27214 
1 1 1  -20   10   20 o  372.927   14.629  1762.59  136.237  1849.31  191.549  1673.82  193.807  378.897   20.319  359.655   21.680 19.24197 29.71341 
1 1 1  -20   10   21 o  147.760   12.634  277.802   46.169  252.142   61.795  310.222   69.461  139.301   18.199  154.692   18.338 -15.39116 25.83639 
1 1 1  -20   10   22 o  397.127   14.299  2001.41  141.803  1934.66  198.639  2070.79  202.495  386.588   20.651  400.209   20.328 -13.62158 28.97772 
1 1 1  -20   10   23 o  144.754   12.110  266.708   43.371  254.654   57.981  282.020   65.351  140.160   16.907  147.198   18.164 -7.037750 24.81499 
1 1 1  -20   10   24 o  132.530   11.930  223.931   39.059  169.383   51.329  298.970   60.203  113.262   18.808  152.130   16.091 -38.86867 24.75197 
1 1 1  -20   10   25 o  282.870   12.790  1015.59   90.345  999.894  126.044  1032.17  129.562  277.798   18.271  282.141   18.491 -4.342804 25.99578 
1 1 1  -20   10   26 o  116.816   13.264  175.771   38.007  174.963   50.619  176.816   57.545  115.036   18.229  114.737   20.852 0.2983551 27.69660 
1 1 1  -20   10   27 o  158.956   12.472  323.241   49.109  294.483   67.068  356.481   72.107  149.601   18.337  165.016   17.779 -15.41501 25.54082 
1 1 1  -20   10   28 o  210.737   17.619  580.517   91.868  765.267  181.448  516.831  106.532  230.937   32.351  196.263   22.123 34.67372 39.19211 
1 1 1  -20   10   29 o  232.064   18.211  707.624  104.687  801.486  199.743  672.076  122.922  232.127   35.594  223.378   22.336 8.748627 42.02153 
1 1 1  -20   10   30 o  122.740   12.925  194.818   39.021  181.694   52.035  211.681   58.984  116.430   18.517  125.434   19.461 -9.003807 26.86321 
1 1 1  -20   10   31 o  154.566   17.515  316.361   66.413  246.550  184.498  326.754   71.184  121.300   45.307  156.574   18.568 -35.27363 48.96445 
1 1 1  -20   10   32 o  271.565   17.199  970.516  116.032  989.371  252.060  965.446  130.704  245.141   42.729  268.815   19.606 -23.67448 47.01224 
1 1 1  -20   10   33 o   87.721   22.481  108.685   49.471  176.402  190.351  103.780   51.232  107.650   44.197   85.508   23.340 22.14180 49.98139 
1 1 1  -20   10   34 o  109.288   20.912  166.079   54.993  217.553  206.917  162.167   57.045  112.360   46.100  107.403   22.009 4.957283 51.08409 
1 1 1  -20   10   35 o   97.830   40.627  139.898  163.342   0.0000   0.0000  139.898  163.342  ?   ?    97.830   40.627 0.000000 40.62707 
1 1 1  -20   10   36 f  128.779   45.861  338.004  185.779   0.0000   0.0000  338.004  185.779  ?   ?   128.779   45.861 0.000000 45.86103 
1 1 1  -20   11    1 o   38.961   16.937  -4.4312   30.714 -11.3231   37.192   10.347   54.462   41.199   18.247   55.882   23.354 -14.68355 29.63738 
1 1 1  -20   11    2 o  102.088   21.169  138.651   52.195  124.647   58.049  197.774  119.273   96.214   24.187  119.593   36.555 -23.37811 43.83257 
1 1 1  -20   11    3 o  287.250   17.643  1054.88  125.946  965.174  159.542  1203.23  205.171  272.160   23.712  301.995   27.508 -29.83490 36.31685 
1 1 1  -20   11    4 o  316.777   17.128  1279.88  134.990  1021.55  172.878  1683.44  216.076  279.519   25.032  359.812   24.189 -80.29233 34.80958 
1 1 1  -20   11    5 o  275.663   17.189  969.859  117.739  867.112  148.810  1141.84  192.525  258.225   23.329  295.014   26.413 -36.78934 35.24040 
1 1 1  -20   11    6 o  162.734   16.989  339.968   68.020  301.984   78.943  449.440  134.020  152.036   21.384  182.537   30.476 -30.50085 37.22980 
1 1 1  -20   11    7 o  428.181   16.779  2328.32  179.414  2012.35  297.331  2509.25  224.991  389.364   30.832  442.757   20.349 -53.39313 36.94188 
1 1 1  -20   11    8 o  249.736   11.894  785.354   74.178  790.016  102.052  780.133  108.009  248.988   16.507  247.073   17.621 1.914780 24.14516 
1 1 1  -20   11    9 o  282.150   11.980  1002.51   84.411  958.269  115.796  1052.68  123.309  274.178   16.996  287.321   17.266 -13.14340 24.22798 
1 1 1  -20   11   10 o  327.751   13.186  1355.13  107.922  1369.75  149.324  1339.15  156.155  327.472   18.334  323.337   19.430 4.134430 26.71420 
1 1 1  -20   11   11 o  230.919   11.776  672.992   67.680  678.731   92.035  666.235   99.873  230.852   16.065  228.241   17.660 2.610733 23.87415 
1 1 1  -20   11   12 o  414.896   16.825  2185.65  174.321  2059.36  290.435  2256.77  217.943  394.935   29.666  419.757   20.792 -24.82190 36.22662 
1 1 1  -20   11   13 f  146.441   13.787  273.130   49.823  311.585   71.887  237.585   69.115  155.232   18.937  134.618   21.266 20.61432 28.47571 
1 1 1  -20   11   14 o  253.735   16.954  821.372  106.809  766.965  132.310  923.156  180.971  243.375   22.009  264.504   27.815 -21.12965 35.46918 
1 1 1  -20   11   15 o  203.181   17.101  528.276   85.959  551.929  103.003  474.012  156.014  206.739   20.210  185.495   34.963 21.24344 40.38388 
1 1 1  -20   11   16 o  194.494   33.118  516.098  155.084   0.0000   0.0000  516.098  155.084  ?   ?   194.494   33.118 0.000000 33.11759 
1 1 1  -20   11   17 o   99.339   21.070  131.278   50.649  131.278   50.649   0.0000   0.0000   99.339   21.070  ?   ?  0.000000 21.07039 
1 1 1  -20   11   18 o   80.115   20.029   85.464   39.962   94.019   42.092   7.3013  127.228   83.984   20.296   80.687   34.773 3.296631 40.26271 
1 1 1  -20   11   19 o  284.981   12.153  1024.64   86.487  1056.81  119.650  989.444  125.158  287.635   16.730  277.733   18.146 9.901398 24.68122 
1 1 1  -20   11   20 o  175.769   12.143  391.797   52.973  384.659   71.644  400.406   78.679  172.941   16.801  176.056   18.157 -3.114410 24.73758 
1 1 1  -20   11   21 o  226.434   11.978  649.216   67.486  600.428   92.667  704.316   98.479  216.089   17.318  234.280   16.947 -18.19066 24.23074 
1 1 1  -20   11   22 o  296.501   12.772  1112.84   94.567  1164.50  131.957  1058.29  135.593  300.980   17.634  286.176   19.083 14.80450 25.98300 
1 1 1  -20   11   23 o  115.731   13.120  171.907   37.247  187.326   48.928  150.657   57.439  119.888   16.805  105.634   22.466 14.25394 28.05557 
1 1 1  -20   11   24 o   78.851   15.590   82.086   29.609   81.494   37.434   83.074   48.393   77.888   19.336   78.679   23.109 -0.7909470 30.13110 
1 1 1  -20   11   25 o  202.484   11.382  520.493   57.317  461.148   77.912  590.499   84.621  188.747   16.702  214.069   15.944 -25.32272 23.09076 
1 1 1  -20   11   26 o  140.678   12.740  253.631   44.269  257.025   59.524  249.431   66.224  140.111   17.386  137.023   19.939 3.088074 26.45434 
1 1 1  -20   11   27 o   82.869   15.448   90.897   30.792   96.878   39.414   81.529   49.327   84.627   19.103   77.557   23.465 7.070679 30.25819 
1 1 1  -20   11   28 o  247.111   18.103  799.735  110.933  1019.56  207.383  711.622  131.297  267.127   31.708  229.628   23.216 37.49879 39.29856 
1 1 1  -20   11   29 o  239.797   18.289  756.400  108.693  863.316  203.380  713.653  128.599  241.540   34.716  229.786   22.708 11.75505 41.48347 
1 1 1  -20   11   30 o   81.916   15.864   89.684   31.279   86.298   39.771   95.174   50.645   79.225   20.078   82.588   23.458 -3.363564 30.87667 
1 1 1  -20   11   31 o  254.689   13.004  834.222   82.428  794.886  115.667  874.812  117.495  244.539   19.093  257.126   18.421 -12.58713 26.53049 
1 1 1  -20   11   32 o  151.034   18.341  304.885   67.757  422.423  192.636  288.290   72.382  153.174   46.378  145.679   20.461 7.495026 50.69060 
1 1 1  -20   11   33 o  144.021   18.570  278.992   65.231   90.364  195.654  302.582   69.190   96.644   42.363  149.872   18.908 -53.22862 46.39101 
1 1 1  -20   11   34 o   55.792   21.934   29.731   44.753   71.323  203.643   27.620   45.874   94.143   42.132   55.500   22.083 38.64302 47.56888 
1 1 1  -20   11   35 f   91.150   39.516   91.902  166.275   0.0000   0.0000   91.902  166.275  ?   ?    91.150   39.516 0.000000 39.51581 
1 1 1  -20   11   36 o  157.980   47.435  506.382  202.137   0.0000   0.0000  506.382  202.137  ?   ?   157.980   47.435 0.000000 47.43467 
1 1 1  -20   12    1 o  141.517   12.527  254.991   43.813  241.181   57.093  274.775   68.335  136.450   17.133  145.102   19.341 -8.652023 25.83819 
1 1 1  -20   12    2 o  208.188   11.663  548.296   60.392  546.617   81.369  550.355   90.114  206.730   15.883  206.881   17.611 -0.1508179 23.71504 
1 1 1  -20   12    3 o  324.027   12.390  1325.40  100.257  1291.61  137.375  1363.90  146.647  317.757   17.378  326.237   18.071 -8.480103 25.07146 
1 1 1  -20   12    4 o  139.816   12.597  248.712   43.508  229.719   56.419  276.579   68.340  133.194   17.377  145.803   19.240 -12.60931 25.92525 
1 1 1  -20   12    5 o  327.170   12.459  1350.62  101.790  1241.04  139.458  1475.57  148.912  311.363   18.013  339.774   17.611 -28.41168 25.19145 
1 1 1  -20   12    6 o  209.860   16.790  563.599   87.252  530.636  105.702  634.086  154.571  202.114   21.262  217.665   29.171 -15.55048 36.09729 
1 1 1  -20   12    7 o  334.717   18.100  1432.84  150.728  1228.88  195.234  1733.77  237.151  306.172   25.775  363.655   26.292 -57.48306 36.81861 
1 1 1  -20   12    8 o  505.403   23.076  3299.45  291.238  2836.55  395.094  3850.27  430.989  457.964   34.808  536.660   32.311 -78.69681 47.49306 
1 1 1  -20   12    9 o  183.887   16.627  433.007   75.524  379.006   87.694  588.078  148.605  170.646   21.024  209.700   29.168 -39.05403 35.95496 
1 1 1  -20   12   10 o  187.748   16.862  451.512   78.211  429.869   91.633  509.585  150.102  182.059   20.513  193.636   32.171 -11.57683 38.15418 
1 1 1  -20   12   11 o  298.280   16.831  1134.37  124.857  908.158  155.881  1539.28  208.551  263.955   23.908  343.841   24.448 -79.88605 34.19523 
1 1 1  -20   12   12 o  324.115   18.805  1345.54  151.552  1310.92  196.288  1396.65  238.471  316.869   25.010  324.230   29.786 -7.361176 38.89338 
1 1 1  -20   12   13 o  223.260   18.212  639.603  100.649  767.353  124.472  398.297  171.071  243.777   20.641  166.636   41.316 77.14143 46.18460 
1 1 1  -20   12   14 o  239.824   16.991  735.119  101.096  685.826  122.761  838.997  178.210  229.957   21.632  251.054   28.957 -21.09724 36.14491 
1 1 1  -20   12   15 o  175.441   17.351  395.570   75.021  405.118   86.538  366.688  150.508  176.773   19.953  160.947   38.048 15.82561 42.96245 
1 1 1  -20   12   16 o  370.223   20.730  1766.41  190.882  1826.26  252.859  1687.12  291.047  372.202   27.398  353.213   33.393 18.98849 43.19414 
1 1 1  -20   12   17 o  120.611   13.542  186.181   40.081  224.028   52.453  133.072   62.136  131.788   16.285   99.198   25.072 32.59012 29.89630 
1 1 1  -20   12   18 o  167.003   11.908  353.555   49.334  351.058   65.791  356.763   74.568  165.377   16.137  166.098   18.280 -0.7216339 24.38371 
1 1 1  -20   12   19 o  154.902   12.548  305.105   48.122  362.782   65.025  235.273   71.550  168.203   15.661  133.165   22.305 35.03763 27.25407 
1 1 1  -20   12   20 o  207.960   11.750  547.646   60.772  554.969   82.588  538.998   89.746  208.117   16.014  204.488   17.751 3.628128 23.90724 
1 1 1  -20   12   21 o  317.253   13.022  1274.80  103.168  1267.76  143.111  1282.41  148.860  313.703   18.348  315.166   19.003 -1.462494 26.41563 
1 1 1  -20   12   22 o  237.709   11.738  714.290   69.679  677.770   95.580  755.713  101.795  229.519   16.793  242.363   16.926 -12.84329 23.84275 
1 1 1  -20   12   23 o   82.796   15.944   90.456   31.770   98.467   40.489   77.620   51.249   85.667   19.380   76.713   24.048 8.953430 30.88473 
1 1 1  -20   12   24 o  125.906   13.381  203.721   41.426  213.629   54.761  190.465   63.340  127.680   17.647  118.872   22.153 8.808777 28.32244 
1 1 1  -20   12   25 o  101.470   14.185  133.787   34.960  127.818   45.459  142.428   54.695   97.628   19.330  102.308   22.058 -4.680191 29.32920 
1 1 1  -20   12   26 o  109.093   13.938  154.342   37.103  162.481   48.444  142.795   57.705  110.625   18.167  101.867   23.203 8.757492 29.46906 
1 1 1  -20   12   27 o   63.742   17.740   54.411   29.273   77.571   37.402   17.797   47.027   75.559   19.641   53.848   22.022 21.71030 29.50809 
1 1 1  -20   12   28 o  201.862   17.956  535.206   89.569  675.959  180.161  488.994  103.231  213.741   34.963  190.503   22.111 23.23874 41.36790 
1 1 1  -20   12   29 o   97.063   14.959  124.063   35.094   93.957   43.943  177.079   58.314   82.497   21.212  113.785   21.306 -31.28763 30.06483 
1 1 1  -20   12   30 o  230.930   12.846  685.114   73.786  704.772  102.748  664.180  106.028  231.199   17.937  223.568   19.177 7.631302 26.25826 
1 1 1  -20   12   31 o  210.621   13.042  571.497   68.258  623.597   95.611  517.342   97.478  217.245   17.780  196.208   20.183 21.03653 26.89729 
1 1 1  -20   12   32 o  138.305   12.904  247.733   44.053  236.276   58.946  262.229   66.303  132.716   18.271  139.219   19.615 -6.503067 26.80611 
1 1 1  -20   12   33 o  123.095   20.013  207.323   59.405  290.443  194.825  198.802   62.376  125.289   46.605  119.616   21.680 5.673225 51.40114 
1 1 1  -20   12   34 o   64.343   22.984   52.521   46.695 -19.5019  199.801   56.682   48.024   84.689   39.329   66.146   23.343 18.54289 45.73454 
1 1 1  -20   12   35 o  142.409   21.056  281.760   72.621   0.0000   0.0000  281.760   72.621  ?   ?   142.409   21.056 0.000000 21.05571 
1 1 1  -20   12   36 o  103.007   43.217  183.866  187.607   0.0000   0.0000  183.866  187.607  ?   ?   103.007   43.217 0.000000 43.21704 
1 1 1  -20   13    1 o  236.197   11.597  704.835   68.400  751.088   92.340  648.600  101.816  242.310   15.340  223.929   18.370 18.38176 23.93209 
1 1 1  -20   13    2 o   98.023   15.814  125.381   37.393  115.996   47.843  140.111   59.941   92.926   21.099  101.586   24.009 -8.660400 31.96231 
1 1 1  -20   13    3 o  215.387   11.627  587.203   62.308  612.902   83.339  554.634   93.821  218.984   15.337  207.235   18.318 11.74892 23.89096 
1 1 1  -20   13    4 o  163.147   12.026  337.839   48.651  357.080   64.505  312.451   74.094  166.832   15.667  154.773   19.610 12.05916 25.10010 
1 1 1  -20   13    5 o  108.863   14.556  152.866   38.580  131.193   49.475  186.491   61.625   99.204   20.643  118.464   21.628 -19.26052 29.89857 
1 1 1  -20   13    6 o  241.470   11.838  735.549   71.383  711.679   96.376  764.560  106.246  235.857   16.467  244.112   17.546 -8.254822 24.06279 
1 1 1  -20   13    7 o  472.856   15.177  2838.24  179.208  2752.20  249.473  2929.97  257.600  461.748   21.636  476.415   21.653 -14.66757 30.60933 
1 1 1  -20   13    8 o  429.254   14.897  2336.97  159.686  2201.40  221.527  2483.61  230.396  412.607   21.575  439.153   21.009 -26.54590 30.11414 
1 1 1  -20   13    9 o  173.315   12.187  380.779   52.410  388.197   69.144  370.762   80.352  174.046   16.091  169.087   19.380 4.959290 25.18904 
1 1 1  -20   13   10 o  129.289   13.037  213.247   41.517  179.106   53.912  263.000   65.081  116.881   19.133  142.255   18.779 -25.37446 26.80950 
1 1 1  -20   13   11 o  201.699   11.616  514.385   58.260  496.961   77.797  536.634   87.910  197.157   15.938  204.482   17.381 -7.325165 23.58183 
1 1 1  -20   13   12 o  327.873   12.955  1357.97  106.068  1427.86  146.398  1280.75  153.887  334.136   17.607  315.497   19.630 18.63879 26.36943 
1 1 1  -20   13   13 o  435.774   15.490  2411.06  168.559  2505.64  235.081  2310.98  241.819  440.961   21.348  421.856   23.042 19.10529 31.41171 
1 1 1  -20   13   14 o  139.828   12.771  248.932   44.101  281.163   58.114  205.164   67.720  147.908   15.988  124.189   22.672 23.71918 27.74232 
1 1 1  -20   13   15 o  121.452   21.527  195.435   62.897   0.0000   0.0000  195.435   62.897  ?   ?   121.452   21.527 0.000000 21.52658 
1 1 1  -20   13   16 o  199.680   15.593  509.711   77.135  509.711   77.135   0.0000   0.0000  199.680   15.593  ?   ?  0.000000 15.59275 
1 1 1  -20   13   17 f  201.518   11.979  514.365   60.008  524.169   80.902  502.374   89.472  202.276   16.151  197.267   18.374 5.009262 24.46359 
1 1 1  -20   13   18 o  266.705   12.120  898.507   80.723  862.915  110.546  939.166  118.152  259.342   17.167  270.424   17.592 -11.08139 24.57988 
1 1 1  -20   13   19 o  107.531   13.951  149.022   36.580  149.614   47.185  148.130   57.910  106.587   18.392  104.827   22.774 1.760330 29.27301 
1 1 1  -20   13   20 o  137.142   12.585  239.976   42.620  232.686   56.049  249.969   65.624  133.803   17.171  137.978   19.597 -4.175751 26.05507 
1 1 1  -20   13   21 o  215.209   11.953  587.574   63.982  580.132   87.116  596.289   94.275  212.308   16.563  214.796   17.735 -2.487305 24.26602 
1 1 1  -20   13   22 o  195.441   12.018  485.345   58.371  504.626   79.181  462.395   86.386  197.938   16.160  188.486   18.596 9.451660 24.63632 
1 1 1  -20   13   23 f  143.726   12.189  263.659   43.334  249.952   57.598  281.539   65.783  138.494   17.012  146.612   18.371 -8.117996 25.03795 
1 1 1  -20   13   24 o   83.533   15.543   92.099   31.228   58.611   39.350  149.073   51.326   66.987   21.084  105.342   20.247 -38.35583 29.23097 
1 1 1  -20   13   25 o   42.355   16.373   15.571   24.606   21.727   29.563   1.6890   44.394   47.566   18.056   48.227   20.657 -0.6602974 27.43594 
1 1 1  -20   13   26 o  174.351   12.680  389.208   54.829  395.516   74.415  381.715   81.095  173.916   17.367  169.862   19.470 4.054520 26.08989 
1 1 1  -20   13   27 o  159.535   18.602  336.511   72.717  409.381  153.809  315.534   82.522  162.950   38.424  152.617   22.312 10.33249 44.43218 
1 1 1  -20   13   28 o   81.061   23.603   90.984   50.679  190.296  145.122   77.190   54.085  112.004   40.459   75.804   24.800 36.19970 47.45517 
1 1 1  -20   13   29 o  121.510   13.806  191.946   41.148  249.866   54.818  117.190   62.277  137.868   16.233   90.826   26.084 47.04184 30.72278 
1 1 1  -20   13   30 o   96.916   14.849  123.922   34.791  133.997   44.792  108.598   55.238   99.422   18.728   87.657   24.359 11.76533 30.72656 
1 1 1  -20   13   31 o   96.478   14.944  123.098   34.839  150.766   45.336   83.195   54.446  105.867   17.779   77.554   24.843 28.31346 30.54964 
1 1 1  -20   13   32 o  191.730   13.025  474.930   61.994  469.703   84.993  480.872   90.624  187.618   18.377  189.126   19.467 -1.508575 26.77038 
1 1 1  -20   13   33 o  172.323   12.879  384.456   55.019  412.812   75.348  352.067   80.527  176.116   17.358  160.570   20.555 15.54628 26.90371 
1 1 1  -20   13   34 f   65.735   23.330   55.765   48.036 -132.3155  191.816   68.349   49.617   74.259   35.655   70.729   23.775 3.530144 42.85447 
1 1 1  -20   13   35 o  157.780   20.047  342.394   77.204   0.0000   0.0000  342.394   77.204  ?   ?   157.780   20.047 0.000000 20.04712 
1 1 1  -20   13   36 o   96.277   41.910  134.855  188.566   0.0000   0.0000  134.855  188.566  ?   ?    96.277   41.910 0.000000 41.90996 
1 1 1  -20   14    1 o  180.111   11.732  412.414   52.481  414.875   68.685  408.961   81.352  179.479   15.476  176.964   18.692 2.515121 24.26724 
1 1 1  -20   14    2 o  107.916   14.675  150.985   38.523  124.980   49.382  191.413   61.572   96.254   21.124  119.598   21.402 -23.34384 30.07130 
1 1 1  -20   14    3 o  201.465   11.794  515.001   59.074  556.935   78.990  461.782   88.987  208.429   15.283  188.246   19.199 20.18315 24.53871 
1 1 1  -20   14    4 o  268.284   12.028  910.263   80.583  993.052  109.514  812.514  118.998  278.516   15.811  250.369   19.179 28.14728 24.85605 
1 1 1  -20   14    5 o  184.020   11.991  429.772   54.800  455.372   72.852  396.411   83.166  188.404   15.626  174.411   19.425 13.99274 24.92972 
1 1 1  -20   14    6 o   91.264   16.609  109.470   36.458  125.241   46.558   84.468   58.621   96.924   19.902   80.480   25.778 16.44345 32.56707 
1 1 1  -20   14    7 o  244.637   11.494  755.260   70.216  701.756   94.154  822.303  105.395  234.066   16.208  253.240   16.761 -19.17381 23.31587 
1 1 1  -20   14    8 o  437.181   14.750  2427.73  161.025  2321.42  223.585  2542.31  232.100  423.722   21.131  443.550   20.955 -19.82761 29.75908 
1 1 1  -20   14    9 o  312.194   12.371  1231.55   96.442  1194.65  132.192  1273.55  141.015  305.249   17.414  314.916   18.006 -9.666962 25.04963 
1 1 1  -20   14   10 o  215.811   11.886  589.628   63.809  566.346   85.212  619.347   96.276  210.204   16.362  219.394   17.724 -9.189713 24.12202 
1 1 1  -20   14   11 o  214.266   11.599  580.829   61.830  550.884   82.632  618.923   93.200  207.398   16.081  219.541   17.136 -12.14284 23.49926 
1 1 1  -20   14   12 o  184.090   12.057  429.667   55.121  471.012   73.839  377.623   82.843  191.844   15.547  170.285   19.855 21.55920 25.21712 
1 1 1  -20   14   13 o  392.781   14.296  1956.95  140.223  2017.13  195.309  1892.93  201.445  395.965   19.752  382.213   21.189 13.75204 28.96733 
1 1 1  -20   14   14 f  173.729   15.706  387.105   67.401  302.429  121.881  424.409   80.897  146.548   33.968  181.204   18.121 -34.65627 38.49899 
1 1 1  -20   14   15 f  126.018   15.889  205.275   48.889  184.974   51.429  395.652  157.494  118.989   17.860  165.490   38.786 -46.50173 42.70059 
1 1 1  -20   14   16 o  159.790   12.280  324.575   48.624  347.889   64.432  293.734   74.107  164.510   15.881  149.626   20.363 14.88409 25.82356 
1 1 1  -20   14   17 o  355.814   13.467  1604.98  119.658  1564.88  164.825  1649.67  173.992  348.266   19.024  357.265   19.577 -8.999298 27.29797 
1 1 1  -20   14   18 o  104.985   14.178  142.419   36.220  116.015   46.696  182.296   57.387   92.972   20.650  117.221   20.342 -24.24915 28.98687 
1 1 1  -20   14   19 o  139.797   12.606  249.450   43.533  240.090   57.272  262.258   66.994  135.842   17.274  141.322   19.503 -5.479919 26.05307 
1 1 1  -20   14   20 o  101.201   14.648  132.993   35.942  128.297   46.112  140.264   57.375   98.031   19.522  101.581   23.136 -3.549980 30.27187 
1 1 1  -20   14   21 f   80.738   16.640   86.505   32.433   63.603   40.659  126.572   53.780   69.560   21.357   96.431   22.708 -26.87088 31.17330 
1 1 1  -20   14   22 o  122.887   12.766  193.725   38.603  172.146   50.064  225.369   60.625  114.196   18.164  130.640   19.152 -16.44382 26.39591 
1 1 1  -20   14   23 o  146.184   12.253  273.077   44.317  239.308   58.684  317.896   67.607  135.031   17.840  155.987   17.668 -20.95572 25.10805 
1 1 1  -20   14   24 o   80.192   16.202   85.535   31.329   85.295   39.923   85.919   50.544   79.279   20.129   79.542   23.683 -0.2624969 31.08159 
1 1 1  -20   14   25 o  108.623   13.669  152.983   36.257  123.868   46.561  197.834   57.790   95.571   20.144  121.603   19.705 -26.03210 28.17951 
1 1 1  -20   14   26 o  211.523   13.116  573.614   68.938  605.080   94.774  538.260  100.459  214.949   17.817  201.293   20.261 13.65540 26.98033 
1 1 1  -20   14   27 o  193.808   18.656  496.123   89.174  417.095  168.060  527.092  105.206  161.068   41.520  198.007   21.629 -36.93889 46.81556 
1 1 1  -20   14   28 o  190.487   18.939  481.506   88.895  537.584  184.724  464.605  101.410  182.835   41.419  184.960   22.414 -2.124908 47.09444 
1 1 1  -20   14   29 o  115.610   13.767  174.098   38.965  180.276   50.630  165.125   61.023  116.026   18.062  108.715   23.185 7.310226 29.39044 
1 1 1  -20   14   30 o  110.764   13.907  160.326   37.618  153.811   48.528  170.134   59.546  106.523   18.937  110.610   22.327 -4.086723 29.27644 
1 1 1  -20   14   31 o  122.576   13.833  196.053   41.602  246.301   54.977  128.728   63.637  136.408   16.473   94.391   26.116 42.01758 30.87687 
1 1 1  -20   14   32 o  194.466   12.943  488.734   62.497  551.732   86.049  418.402   90.919  204.212   17.029  174.948   21.247 29.26416 27.22931 
1 1 1  -20   14   33 o  175.609   12.361  398.405   53.861  371.221   72.228  432.456   80.838  166.645   17.624  179.540   18.286 -12.89471 25.39613 
1 1 1  -20   14   34 o   83.671   16.130   94.860   32.481  110.862   40.599   66.404   54.141   89.537   18.758   70.435   24.792 19.10245 31.08907 
1 1 1  -20   14   35 o  117.349   23.291  197.848   65.845   0.0000   0.0000  197.848   65.845  ?   ?   117.349   23.291 0.000000 23.29136 
1 1 1  -20   14   36 o   93.345   41.424  111.796  192.571   0.0000   0.0000  111.796  192.571  ?   ?    93.345   41.424 0.000000 41.42358 
1 1 1  -20   15    1 o  197.837   16.120  506.911   78.947  583.889  115.232  438.818  108.378  209.061   22.422  179.643   24.822 29.41777 33.45003 
1 1 1  -20   15    2 o  207.411   16.323  556.463   83.858  677.323  123.815  454.040  113.981  225.741   22.254  182.591   25.710 43.15070 34.00323 
1 1 1  -20   15    3 f  117.085   18.252  181.027   51.625  285.612   86.758  123.698   64.234  144.824   24.886   94.521   26.269 50.30286 36.18504 
1 1 1  -20   15    4 o  173.414   11.922  382.707   51.315  381.107   67.441  384.907   79.081  171.804   15.900  171.578   18.763 0.2253571 24.59367 
1 1 1  -20   15    5 o  137.719   12.895  242.717   43.830  256.615   56.868  222.382   68.790  140.587   16.513  128.773   22.193 11.81410 27.66245 
1 1 1  -20   15    6 o  221.075   12.026  620.457   66.140  702.900   89.450  521.019   98.238  234.151   15.384  199.609   19.977 34.54257 25.21343 
1 1 1  -20   15    7 o  269.633   11.956  919.856   80.506  860.755  108.063  993.567  120.684  258.666   16.821  277.652   17.495 -18.98596 24.27015 
1 1 1  -20   15    8 o  149.260   12.533  284.043   46.280  298.654   60.640  263.661   71.622  152.048   16.221  141.178   20.951 10.86928 26.49686 
1 1 1  -20   15    9 o  113.274   14.356  165.599   39.697  161.192   51.268  172.197   62.731  110.339   19.310  112.956   23.020 -2.616470 30.04680 
1 1 1  -20   15   10 o   88.925   16.833  104.311   36.011   79.254   45.735  145.190   58.416   77.081   22.416  103.527   23.174 -26.44543 32.24093 
1 1 1  -20   15   11 o   72.188   18.335   69.509   33.114   82.100   41.685   47.973   54.517   78.232   20.928   66.707   24.685 11.52469 32.36286 
1 1 1  -20   15   12 f  172.480   12.040  377.915   51.531  369.573   68.317  388.927   78.490  169.340   16.359  173.042   18.448 -3.701660 24.65689 
1 1 1  -20   15   13 o  242.954   12.365  748.748   74.773  767.915  101.084  725.588  111.118  244.510   16.654  236.670   18.961 7.839951 25.23634 
1 1 1  -20   15   14 o  289.756   14.361  1067.46  103.909  1038.29  163.387  1087.27  134.647  280.728   23.524  290.092   18.686 -9.364532 30.04234 
1 1 1  -20   15   15 o  113.432   14.219  165.973   39.393  141.094   50.175  205.950   63.602  102.790   20.268  124.400   21.236 -21.61038 29.35551 
1 1 1  -20   15   16 o  271.301   11.912  930.965   80.701  906.761  109.134  960.170  119.880  265.706   16.530  272.903   17.686 -7.196869 24.20796 
1 1 1  -20   15   17 o   90.362   15.974  107.267   34.728  131.818   44.348   68.343   55.840   99.703   18.493   73.938   25.220 25.76441 31.27340 
1 1 1  -20   15   18 o  174.062   11.893  385.174   51.386  372.875   68.025  401.520   78.420  169.947   16.226  175.711   18.133 -5.764236 24.33291 
1 1 1  -20   15   19 o   76.274   17.467   77.690   32.553  106.726   41.195   29.414   53.117   89.267   19.060   60.158   23.818 29.10831 30.50492 
1 1 1  -20   15   20 o  237.998   11.896  717.677   70.698  675.120   95.570  769.115  105.069  228.600   16.860  243.825   17.370 -15.22525 24.20716 
1 1 1  -20   15   21 o  195.558   11.794  486.417   57.326  425.888   76.405  564.376   86.711  181.096   17.098  208.815   16.770 -27.71980 23.94935 
1 1 1  -20   15   22 o  104.169   14.484  141.183   36.657  134.441   47.288  151.335   58.026  100.033   19.631  105.219   22.747 -5.186470 30.04669 
1 1 1  -20   15   23 o  259.707   11.871  856.503   76.986  857.857  105.090  854.935  113.101  257.475   16.430  256.269   17.783 1.206207 24.21170 
1 1 1  -20   15   24 o  102.571   14.576  137.378   36.284  131.731   46.775  145.911   57.494   98.762   19.657  102.888   22.960 -4.126343 30.22499 
1 1 1  -20   15   25 o  265.549   12.714  899.763   84.308  962.705  116.117  829.590  122.606  271.799   17.197  250.562   19.755 21.23640 26.19143 
1 1 1  -20   15   26 o   99.981   22.882  138.804   55.895  212.523  139.660  124.744   60.993  116.995   39.885   94.027   25.384 22.96865 47.27713 
1 1 1  -20   15   27 o  117.204   21.712  188.367   61.205  205.321  147.307  184.829   67.289  114.651   40.837  114.908   24.214 -0.2578430 47.47548 
1 1 1  -20   15   28 o  206.902   13.151  551.180   67.592  624.240   92.367  466.951   99.176  218.018   17.103  185.525   21.824 32.49261 27.72726 
1 1 1  -20   15   29 o   88.234   16.204  104.216   34.388  104.151   43.966  104.317   55.191   86.737   20.604   85.871   24.522 0.8666382 32.02870 
1 1 1  -20   15   30 o  202.750   12.748  529.560   64.213  506.407   87.204  556.983   94.906  195.254   18.090  204.350   18.809 -9.096146 26.09693 
1 1 1  -20   15   31 o  185.734   12.975  445.807   59.800  455.879   81.099  433.807   88.527  185.160   17.757  179.052   20.149 6.107986 26.85727 
1 1 1  -20   15   32 o  109.963   14.219  159.082   38.130  153.872   48.889  167.172   60.923  106.020   19.172  108.603   23.170 -2.582932 30.07337 
1 1 1  -20   15   33 o  151.424   13.096  298.268   49.032  300.263   65.144  295.661   74.470  149.469   17.803  146.375   20.973 3.094193 27.51041 
1 1 1  -20   15   34 o  128.202   13.104  214.858   41.362  182.273   53.095  265.160   65.969  115.122   19.141  139.030   19.541 -23.90805 27.35357 
1 1 1  -20   15   35 o   93.804   16.408  119.567   37.035  147.701   47.587   76.351   58.979  103.096   19.190   73.898   25.885 29.19862 32.22244 
1 1 1  -20   16    1 o  132.189   13.148  225.538   42.825  222.293   54.869  230.595   68.501  129.688   17.380  130.152   21.851 -0.4642334 27.91960 
1 1 1  -20   16    2 o   81.088   18.006   88.726   35.512   78.954   44.918  105.017   57.995   76.107   22.238   86.881   25.235 -10.77387 33.63536 
1 1 1  -20   16    3 o  130.295   13.390  218.892   42.948  228.609   55.323  204.154   68.133  131.877   17.210  122.104   23.193 9.773407 28.88037 
1 1 1  -20   16    4 o   85.742   22.778  100.974   49.597  171.126   78.060   53.480   64.228  109.854   28.285   70.343   26.635 39.51128 38.85183 
1 1 1  -20   16    5 f   76.142   23.535   77.649   49.282   25.274   79.811  109.925   62.652   67.948   28.323   89.230   26.318 -21.28152 38.66352 
1 1 1  -20   16    6 o  145.568   17.851  277.582   63.531  341.096   99.511  233.883   82.542  157.730   26.182  129.988   26.331 27.74147 37.13268 
1 1 1  -20   16    7 o   64.244   19.672   54.088   34.525   44.252   43.966   69.909   55.761   62.008   22.286   74.172   25.202 -12.16318 33.64268 
1 1 1  -20   16    8 o  109.397   14.585  155.261   38.852  146.363   49.738  169.189   62.227  104.602   19.766  111.501   23.108 -6.899048 30.40791 
1 1 1  -20   16    9 o  115.372   14.055  171.913   39.657  167.064   50.748  179.517   63.555  112.306   18.757  115.059   22.925 -2.753036 29.62014 
1 1 1  -20   16   10 o  114.299   14.390  168.982   40.164  168.130   51.678  170.282   63.826  112.601   19.059  111.801   23.602 0.7996368 30.33634 
1 1 1  -20   16   11 f  226.614   11.731  651.717   66.157  668.996   88.607  629.950   99.451  228.192   15.644  220.290   18.243 7.901703 24.03185 
1 1 1  -20   16   12 o  146.742   13.138  275.557   47.634  245.643   61.417  320.715   75.461  136.858   18.440  156.151   19.797 -19.29333 27.05463 
1 1 1  -20   16   13 o  327.522   19.521  1394.65  158.937   0.0000   0.0000  1394.65  158.937  ?   ?   327.522   19.521 0.000000 19.52136 
1 1 1  -20   16   14 o  159.313   16.174  328.269   63.455  328.269   63.455   0.0000   0.0000  159.313   16.174  ?   ?  0.000000 16.17429 
1 1 1  -20   16   15 o   97.456   15.309  124.105   36.029   98.421   45.282  168.420   59.480   85.223   21.328  111.681   22.110 -26.45773 30.72042 
1 1 1  -20   16   16 o  151.466   12.822  293.268   48.042  287.701   62.853  301.092   74.509  148.630   17.256  150.953   20.279 -2.322647 26.62667 
1 1 1  -20   16   17 o  226.611   12.273  653.158   69.192  620.162   92.784  694.497  103.854  218.913   17.109  231.241   18.130 -12.32820 24.92815 
1 1 1  -20   16   18 o  234.952   12.043  701.797   70.421  666.628   94.288  746.161  105.899  227.087   16.745  239.789   17.813 -12.70221 24.44768 
1 1 1  -20   16   19 o   64.347   18.240   55.084   30.653   48.826   38.296   66.241   51.135   62.412   20.888   71.961   24.136 -9.548355 31.91927 
1 1 1  -20   16   20 f  133.477   13.066  228.863   42.992  233.226   56.043  222.625   67.016  133.417   17.223  128.619   21.633 4.798065 27.65223 
1 1 1  -20   16   21 o  139.791   12.995  250.954   44.845  256.073   58.959  243.926   69.077  139.786   17.257  134.799   21.222 4.986206 27.35299 
1 1 1  -20   16   22 o   81.944   16.757   89.695   33.134   86.812   42.414   94.210   53.075   79.749   21.006   82.805   24.167 -3.056099 32.02008 
1 1 1  -20   16   23 o  154.470   12.551  306.003   47.995  317.652   63.540  290.526   73.239  155.913   16.574  147.352   20.456 8.560699 26.32725 
1 1 1  -20   16   24 o   82.659   23.983   94.581   52.407  148.514  131.034   84.312   57.179  102.989   38.239   78.892   25.479 24.09658 45.94963 
1 1 1  -20   16   25 o  270.347   18.277  960.707  122.667  1104.03  206.544  882.605  152.470  278.435   30.189  254.275   24.308 24.15984 38.75920 
1 1 1  -20   16   26 o  169.109   18.750  380.034   77.850  462.899  159.555  354.144   89.186  172.209   38.111  160.916   22.835 11.29352 44.42839 
1 1 1  -20   16   27 o  170.671   12.871  375.262   54.451  401.817   73.088  342.136   81.631  174.709   16.966  158.897   21.094 15.81250 27.07044 
1 1 1  -20   16   28 o   94.213   15.471  117.862   35.135  132.049   45.003   95.718   56.226   98.510   18.983   82.481   25.074 16.02886 31.44922 
1 1 1  -20   16   29 o  129.293   13.046  216.825   41.547  221.023   54.268  210.880   64.581  128.788   17.312  123.618   21.713 5.169807 27.76975 
1 1 1  -20   16   30 o  180.342   12.831  420.023   57.405  433.972   77.121  402.691   85.965  180.941   17.278  172.341   20.369 8.599533 26.70970 
1 1 1  -20   16   31 o  114.251   14.231  171.488   39.722  181.476   51.458  156.762   62.484  115.749   18.420  104.541   24.383 11.20770 30.55826 
1 1 1  -20   16   32 o   59.076   17.850   47.071   28.558   46.110   34.304   49.240   51.547   59.346   19.767   64.248   23.958 -4.901714 31.06004 
1 1 1  -20   16   33 o  196.668   13.384  503.371   65.340  541.134   88.845  458.884   96.431  200.809   17.905  181.957   21.647 18.85129 28.09276 
1 1 1  -20   16   34 o  174.474   13.381  397.592   57.857  443.904   78.050  341.101   86.201  181.724   17.412  155.185   22.935 26.53868 28.79594 
1 1 1  -20   16   35 o  115.332   14.557  176.970   40.991  144.574   52.504  227.538   65.598  100.528   21.562  126.829   21.479 -26.30085 30.43408 
1 1 1  -20   17    1 o  135.426   13.110  237.587   43.782  234.873   56.104  241.813   70.017  132.907   17.315  132.586   21.913 0.3214722 27.92846 
1 1 1  -20   17    2 o   36.884   16.374  -8.5112   30.115 -36.2465   36.951   46.352   51.971   35.024   16.474   64.137   24.029 -29.11347 29.13369 
1 1 1  -20   17    3 o  100.800   15.670  134.248   38.163  141.293   48.441  122.720   61.964  101.962   19.738   93.022   25.782 8.940147 32.46997 
1 1 1  -20   17    4 o   58.611   19.357   43.801   32.921   52.451   41.374   28.874   54.350   64.183   21.710   59.727   23.945 4.456207 32.32143 
1 1 1  -20   17    5 o  204.494   11.827  533.737   60.137  525.217   79.550  545.100   91.867  201.068   15.975  203.671   18.256 -2.603165 24.25877 
1 1 1  -20   17    6 o  146.396   12.583  275.010   45.554  279.996   58.976  267.634   71.725  146.377   16.417  141.135   20.990 5.241837 26.64785 
1 1 1  -20   17    7 o  136.443   13.306  239.725   44.758  215.627   57.851  275.662   70.646  127.450   18.736  143.733   20.243 -16.28272 27.58308 
1 1 1  -20   17    8 o   89.802   23.292  111.262   52.675   63.508   86.612  139.293   66.357   78.329   30.595   99.668   26.285 -21.33929 40.33560 
1 1 1  -20   17    9 o  119.446   20.777  191.867   59.724  221.283   99.450  175.274   74.692  123.509   31.989  111.651   27.070 11.85839 41.90563 
1 1 1  -20   17   10 o   95.886   22.536  126.057   53.051  179.332   91.283   98.886   65.190  111.647   31.417   85.335   27.168 26.31169 41.53458 
1 1 1  -20   17   11 o  104.709   22.073  149.340   55.898  121.039   94.317  164.663   69.400   94.695   32.758  108.703   25.929 -14.00763 41.77816 
1 1 1  -20   17   12 o  244.553   16.899  774.467  102.570  889.016  157.021  689.209  135.465  257.007   24.773  226.339   24.350 30.66789 34.73661 
1 1 1  -20   17   13 o  283.992   16.812  1042.80  118.693  1042.80  118.693   0.0000   0.0000  283.992   16.812  ?   ?  0.000000 16.81153 
1 1 1  -20   17   14 o  217.418   11.868  601.433   64.191  554.898   84.831  663.776   98.188  206.990   16.550  226.014   17.534 -19.02393 24.11120 
1 1 1  -20   17   15 o  203.856   11.822  528.927   59.921  481.883   78.850  593.232   92.188  192.793   16.538  213.623   17.433 -20.82965 24.02965 
1 1 1  -20   17   16 o  218.276   12.211  607.029   66.295  598.889   88.102  617.653  100.657  215.028   16.534  217.298   18.733 -2.270142 24.98583 
1 1 1  -20   17   17 o  166.899   12.112  355.615   50.137  296.289   65.037  442.513   78.712  150.372   17.656  184.281   17.307 -33.90866 24.72370 
1 1 1  -20   17   18 o  165.001   12.434  348.162   50.857  274.641   65.990  455.700   79.809  144.206   18.770  186.965   17.290 -42.75954 25.51945 
1 1 1  -20   17   19 o  139.791   12.944  251.079   44.671  240.559   58.205  266.155   69.680  135.188   17.664  141.177   20.353 -5.989182 26.94908 
1 1 1  -20   17   20 o   88.928   16.360  105.048   34.992   99.266   44.734  114.162   56.167   85.138   21.138   90.612   24.316 -5.474220 32.21919 
1 1 1  -20   17   21 o  201.892   17.012  531.909   84.971  664.024  144.732  462.420  104.965  218.986   27.041  184.739   23.269 34.24643 35.67431 
1 1 1  -20   17   22 o  174.108   17.755  398.591   76.117  473.537  137.562  365.520   91.381  180.945   31.594  163.966   22.946 16.97942 39.04719 
1 1 1  -20   17   23 o  182.287   17.634  437.012   79.270  596.498  150.664  375.965   93.214  203.897   30.530  166.008   23.113 37.88863 38.29154 
1 1 1  -20   17   24 o   95.689   23.619  128.397   56.095   60.668  125.937  145.160   62.654   84.686   35.463  101.318   24.933 -16.63152 43.35057 
1 1 1  -20   17   25 o  191.001   18.196  482.783   85.739  566.441  161.832  450.137  101.093  193.959   34.685  181.535   22.804 12.42393 41.50990 
1 1 1  -20   17   26 o   92.985   16.255  115.452   36.370  126.951   46.860   98.031   57.678   96.138   20.163   83.452   25.402 12.68597 32.43139 
1 1 1  -20   17   27 o  110.751   14.361  160.827   38.784  163.088   49.883  157.370   61.671  109.737   18.884  105.470   23.960 4.267242 30.50761 
1 1 1  -20   17   28 o  165.412   12.810  353.349   52.501  374.375   70.251  326.751   79.015  168.256   16.951  154.844   20.974 13.41194 26.96732 
1 1 1  -20   17   29 o   48.268   17.468   26.536   27.069   7.1767   32.042   74.794   50.589   42.788   17.900   73.793   23.978 -31.00468 29.92240 
1 1 1  -20   17   30 o  112.082   13.908  164.766   38.090  152.282   48.346  185.198   61.849  105.559   19.041  114.957   22.350 -9.398209 29.36133 
1 1 1  -20   17   31 o  111.709   14.813  165.018   40.304  186.390   52.144  133.301   63.522  117.159   18.432   95.377   25.970 21.78204 31.84628 
1 1 1  -20   17   32 o  111.473   14.672  164.524   39.849  198.085   51.223  113.074   63.422  121.151   17.433   87.625   26.629 33.52648 31.82775 
1 1 1  -20   17   33 o  193.192   12.666  484.537   60.769  435.783   81.136  546.834   91.715  179.460   18.363  201.098   18.470 -21.63837 26.04510 
1 1 1  -20   17   34 o   88.447   24.759  115.809   56.847  251.460  204.775  104.482   59.173  112.166   45.922   83.908   25.765 28.25845 52.65587 
1 1 1  -20   18    1 o  133.445   13.378  232.270   43.979  269.425   56.031  172.650   70.977  142.553   16.017  108.401   26.453 34.15154 30.92436 
1 1 1  -20   18    2 o   36.326   16.241 -10.1392   30.181   8.8627   37.580 -44.6671   50.657   46.188   19.358   41.221   19.357 4.966660 27.37583 
1 1 1  -20   18    3 o  108.988   15.001  156.724   39.746  152.399   50.632  163.667   64.157  105.385   19.971  107.120   24.514 -1.734451 31.61923 
1 1 1  -20   18    4 o   55.732   19.204   38.539   32.400   24.803   40.220   63.930   54.684   52.816   20.784   70.547   24.907 -17.73092 32.43971 
1 1 1  -20   18    5 o  165.880   12.197  353.527   50.169  367.063   64.959  333.519   78.977  167.520   15.712  157.093   20.631 10.42712 25.93258 
1 1 1  -20   18    6 o   81.638   18.107   90.498   35.947   95.190   44.940   82.163   59.895   82.879   21.522   78.002   26.122 4.876472 33.84621 
1 1 1  -20   18    7 o   76.794   18.557   80.280   35.191   83.439   44.386   74.934   57.743   77.812   21.911   75.338   25.646 2.473518 33.73175 
1 1 1  -20   18    8 o   65.051   19.262   56.746   33.503   53.678   41.887   62.194   55.818   64.776   21.844   70.682   25.142 -5.906403 33.30552 
1 1 1  -20   18    9 o  113.747   14.632  168.833   40.598  162.944   51.960  178.062   65.047  109.899   19.655  113.259   23.757 -3.360268 30.83354 
1 1 1  -20   18   10 o   87.766   17.305  103.221   36.579  107.563   46.003   95.756   60.319   88.511   21.110   83.375   26.081 5.135254 33.55375 
1 1 1  -20   18   11 o  214.880   11.714  588.783   62.619  594.278   82.820  581.450   95.681  214.183   15.592  210.374   18.398 3.809280 24.11607 
1 1 1  -20   18   12 o  225.616   14.301  655.206   80.156  602.033  120.213  697.770  107.555  211.193   23.175  230.360   18.862 -19.16682 29.88084 
1 1 1  -20   18   13 o  200.800   16.966  525.797   84.277  648.164  134.177  446.068  108.307  217.880   25.121  180.660   24.651 37.22054 35.19563 
1 1 1  -20   18   14 o  256.819   17.455  859.984  111.277  915.480  168.972  817.484  147.870  258.035   26.605  245.471   24.448 12.56416 36.13214 
1 1 1  -20   18   15 o  150.639   19.257  301.220   70.781  467.069  128.127  228.376   84.914  181.916   29.192  127.016   27.563 54.90012 40.14843 
1 1 1  -20   18   16 o  273.340   17.609  974.920  119.553  1053.35  181.570  914.891  158.845  276.777   26.598  259.346   24.830 17.43088 36.38674 
1 1 1  -20   18   17 o   67.115   23.810   55.033   50.029 -49.9423   96.738   93.361   58.453   60.500   27.835   82.437   25.656 -21.93723 37.85526 
1 1 1  -20   18   18 f   89.098   23.816  110.586   54.008  149.355  106.222   97.069   62.721  101.819   34.784   83.948   26.641 17.87093 43.81334 
1 1 1  -20   18   19 o   77.347   24.116   81.493   51.617   66.325  102.125   86.698   59.821   81.551   32.778   79.943   26.079 1.607742 41.88660 
1 1 1  -20   18   20 o  252.151   18.304  836.016  114.466  793.725  182.207  863.588  147.121  234.184   31.994  252.152   23.641 -17.96849 39.78077 
1 1 1  -20   18   21 o  257.553   17.881  871.201  114.291  888.074  180.164  859.839  147.849  250.009   29.421  251.139   23.862 -1.130051 37.88077 
1 1 1  -20   18   22 o  234.584   17.881  724.355  103.956  725.253  169.347  723.812  131.688  223.715   31.159  230.560   23.187 -6.844986 38.83973 
1 1 1  -20   18   23 o  136.544   13.647  241.816   45.910  266.500   61.174  209.987   69.467  141.700   17.672  122.804   23.509 18.89614 29.41039 
1 1 1  -20   18   24 o   59.181   18.755   46.065   31.094   34.876   38.743   66.316   52.122   56.065   20.797   71.089   24.365 -15.02441 32.03418 
1 1 1  -20   18   25 o  185.282   12.729  442.277   58.539  448.218   78.266  434.734   88.195  184.223   17.212  179.739   19.988 4.483887 26.37765 
1 1 1  -20   18   26 f  242.615   12.747  757.671   76.958  779.366  104.395  731.848  113.894  243.044   17.314  233.655   19.704 9.388794 26.22977 
1 1 1  -20   18   27 o  142.731   13.360  264.559   47.064  284.953   62.300  237.449   71.830  146.292   17.395  130.498   22.876 15.79411 28.73810 
1 1 1  -20   18   28 o   85.359   16.896   98.662   34.741  104.651   43.711   88.392   57.244   86.662   20.516   79.289   25.481 7.372711 32.71429 
1 1 1  -20   18   29 o   79.145   17.227   85.477   33.081   81.200   41.248   93.187   55.381   76.183   21.004   80.896   24.940 -4.712776 32.60590 
1 1 1  -20   18   30 o   82.465   16.570   92.324   32.938   78.994   40.590  118.028   56.365   75.070   20.888   90.336   24.408 -15.26612 32.12558 
1 1 1  -20   18   31 o  170.963   13.276  380.480   56.235  390.925   74.932  367.012   85.090  170.571   17.857  162.753   21.459 7.817749 27.91711 
1 1 1  -20   18   32 o   72.419   17.777   72.637   31.910   64.984   38.656   89.005   56.534   68.283   20.798   78.599   25.330 -10.31590 32.77425 
1 1 1  -20   18   33 o   90.119   16.201  110.348   35.120   96.479   43.292  137.043   60.061   82.209   21.010   96.232   24.828 -14.02346 32.52448 
1 1 1  -20   18   34 o  178.767   14.443  422.236   63.926  469.993   88.854  370.991   92.041  184.578   19.576  160.418   23.689 24.15991 30.73086 
1 1 1  -20   19    1 o   52.794   22.173   15.291   49.467   13.652   52.734   27.298  142.763   53.624   22.727   78.611   35.222 -24.98737 41.91799 
1 1 1  -20   19    2 o   67.154   23.768   59.473   49.824   34.394   53.143  241.618  143.219   59.633   23.756  116.434   40.362 -56.80040 46.83367 
1 1 1  -20   19    3 f  164.564   20.065  370.441   80.751  399.124   92.294  276.803  166.758  169.148   22.401  122.463   43.467 46.68553 48.90002 
1 1 1  -20   19    4 o   50.318   18.925   27.076   32.298   40.992   39.895   0.6086   55.018   58.389   21.195   51.882   22.610 6.507172 30.99084 
1 1 1  -20   19    5 o   40.194   17.220   1.5127   30.858   11.019   37.791 -17.5049   53.451   46.950   19.523   47.461   21.385 -0.5105591 28.95610 
1 1 1  -20   19    6 o  142.649   13.116  264.006   46.199  248.867   59.111  287.770   74.058  136.367   17.782  144.931   21.080 -8.563599 27.57841 
1 1 1  -20   19    7 o   38.070   16.740  -5.5266   30.761 -11.4381   37.566   6.5038   53.590   40.648   18.151   52.993   22.698 -12.34500 29.06243 
1 1 1  -20   19    8 o   44.022   17.941   11.915   31.076  -6.7173   38.210   48.324   53.412   42.253   18.615   64.959   24.355 -22.70590 30.65452 
1 1 1  -20   19    9 o  205.600   12.043  542.066   61.563  553.628   81.166  526.404   94.465  205.797   15.917  198.591   19.292 7.206009 25.01099 
1 1 1  -20   19   10 o   95.441   16.413  121.531   37.706  108.212   47.433  144.398   62.151   88.194   21.688  100.834   24.844 -12.63961 32.97884 
1 1 1  -20   19   11 o  136.733   21.918  255.741   72.309   0.0000   0.0000  255.741   72.309  ?   ?   136.733   21.918 0.000000 21.91756 
1 1 1  -20   19   12 o  219.153   16.183  626.880   87.937  626.880   87.937   0.0000   0.0000  219.153   16.183  ?   ?  0.000000 16.18285 
1 1 1  -20   19   13 o  197.566   12.086  499.972   59.340  525.877   78.132  464.664   91.218  200.931   15.696  186.486   19.895 14.44456 25.34121 
1 1 1  -20   19   14 o   84.450   17.398   96.182   35.470  116.749   45.047   62.629   57.537   92.312   20.111   70.971   25.496 21.34087 32.47269 
1 1 1  -20   19   15 o  186.381   12.459  445.812   57.654  460.969   75.241  424.255   89.731  187.814   16.201  177.729   20.600 10.08562 26.20741 
1 1 1  -20   19   16 f  284.503   12.848  1036.16   91.281  1108.25  123.478  949.283  135.545  291.082   17.062  266.645   20.514 24.43646 26.68185 
1 1 1  -20   19   17 o  116.916   14.870  178.998   42.432  189.288   54.235  162.759   68.129  118.659   18.940  106.892   25.814 11.76633 32.01725 
1 1 1  -20   19   18 o   64.177   18.963   55.432   32.499   77.006   40.838   18.170   53.669   74.822   20.999   56.274   23.322 18.54767 31.38269 
1 1 1  -20   19   19 o   51.269   18.558   29.888   30.553   38.964   37.394   11.660   52.994   57.371   20.560   54.263   22.878 3.108006 30.75903 
1 1 1  -20   19   20 o   76.264   17.948   79.224   33.611   73.051   42.132   90.031   55.743   72.945   21.600   80.405   25.060 -7.459389 33.08421 
1 1 1  -20   19   21 o  167.676   13.001  362.822   54.011  366.627   70.932  357.572   83.319  166.517   17.311  162.338   21.048 4.179794 27.25284 
1 1 1  -20   19   22 o  144.865   13.457  272.141   48.124  263.724   62.870  284.050   74.785  140.396   18.373  144.136   21.430 -3.739792 28.22761 
1 1 1  -20   19   23 o  115.390   14.467  174.636   40.771  143.566   52.471  221.979   64.771  101.690   21.343  127.189   21.135 -25.49860 30.03675 
1 1 1  -20   19   24 o   87.134   17.324  102.869   36.367  132.848   46.691   56.629   57.988   98.343   19.699   68.539   25.440 29.80399 32.17509 
1 1 1  -20   19   25 o  158.423   13.033  325.012   51.105  318.309   67.111  334.265   78.845  154.484   17.717  156.622   20.664 -2.137207 27.21885 
1 1 1  -20   19   26 f  126.921   13.825  210.455   43.109  238.072   55.817  169.628   67.866  133.579   17.128  108.329   25.509 25.24979 30.72566 
1 1 1  -20   19   27 o   89.956   16.475  109.096   35.645  117.005   44.782   95.423   58.886   91.788   20.095   81.780   25.798 10.00781 32.70104 
1 1 1  -20   19   28 o   45.012   17.371   19.160   27.661   1.4420   33.128   59.945   50.263   41.452   17.802   67.809   23.886 -26.35737 29.79030 
1 1 1  -20   19   29 o   47.918   17.686   25.464   27.947   16.647   33.238   46.737   51.628   46.563   18.705   63.340   23.904 -16.77641 30.35299 
1 1 1  -20   19   30 o  140.730   13.999  259.830   48.544  280.806   63.836  231.069   74.750  144.092   18.143  126.644   24.522 17.44759 30.50429 
1 1 1  -20   19   31 o  118.449   14.649  185.942   42.406  202.394   54.372  160.395   67.754  121.686   18.473  103.787   26.153 17.89896 32.01925 
1 1 1  -20   19   32 o   69.940   18.103   68.183   31.863   79.517   38.771   44.603   55.923   74.908   20.245   63.136   24.606 11.77257 31.86379 
1 1 1  -20   19   33 o   67.507   24.746   60.065   54.574 -15.5220  207.020   65.710   56.575   82.609   38.898   69.688   25.248 12.92069 46.37382 
1 1 1  -20   20    1 o   78.268   25.850   90.941   58.708  114.230   63.209 -55.3351  158.410   86.448   26.643   71.198   33.678 15.24930 42.94211 
1 1 1  -20   20    2 o   96.121   24.918  138.134   60.306  125.410   65.200  213.464  158.643   90.633   26.878  106.567   41.468 -15.93456 49.41691 
1 1 1  -20   20    3 o   83.873   25.167  104.233   56.915  107.482   61.351   84.170  152.445   84.806   26.267   86.810   37.736 -2.003410 45.97727 
1 1 1  -20   20    4 o   57.476   22.442   34.397   46.589   35.735   49.274   23.118  143.090   58.705   23.035   78.164   35.125 -19.45876 42.00467 
1 1 1  -20   20    5 o  110.333   23.307  174.948   62.202  189.627   67.737   95.979  157.112  114.254   24.478   90.301   38.775 23.95278 45.85516 
1 1 1  -20   20    6 o   60.052   22.863   40.496   47.486   54.978   50.119 -86.6144  148.481   65.707   23.770   68.624   32.503 -2.916641 40.26722 
1 1 1  -20   20    7 o   59.540   19.484   46.941   33.382   26.145   40.993   87.881   57.517   53.163   20.963   78.630   25.568 -25.46680 33.06292 
1 1 1  -20   20    8 o   83.483   18.146   95.773   36.750   96.631   45.849   94.232   61.464   82.638   21.875   81.229   26.431 1.408943 34.30938 
1 1 1  -20   20    9 o  108.162   15.481  155.395   40.621  183.143   51.643  110.373   65.782  116.247   18.403   87.127   27.234 29.12024 32.86869 
1 1 1  -20   20   10 o   70.595   23.418   67.498   48.164   81.144   84.987   61.042   58.458   80.036   30.558   69.852   25.610 10.18404 39.87077 
1 1 1  -20   20   11 o   88.154   20.888  108.465   45.278   92.817   47.121  296.821  163.484   81.166   22.478  129.915   43.148 -48.74865 48.65176 
1 1 1  -20   20   12 o  181.401   12.479  424.171   56.184  460.952   73.084  371.026   87.850  187.429   15.761  164.350   21.954 23.07913 27.02576 
1 1 1  -20   20   13 o   96.557   16.239  124.670   37.766  112.024   47.208  147.151   62.943   89.524   21.406  101.247   25.036 -11.72320 32.93955 
1 1 1  -20   20   14 o  129.088   13.671  217.027   43.398  224.027   55.569  206.083   69.484  129.466   17.648  120.956   23.852 8.509895 29.67086 
1 1 1  -20   20   15 o   91.765   16.990  113.444   37.500  104.986   47.127  128.043   61.917   86.560   21.811   94.295   25.625 -7.735512 33.65119 
1 1 1  -20   20   16 o  119.796   14.385  187.992   42.172  197.142   53.720  173.298   68.079  121.026   18.350  109.969   25.315 11.05665 31.26642 
1 1 1  -20   20   17 o  111.278   14.962  163.164   40.524  140.639   51.037  201.589   66.660  100.751   20.968  120.029   23.078 -19.27747 31.18076 
1 1 1  -20   20   18 o   99.841   16.218  133.065   39.047  163.447   49.936   85.252   62.643  109.730   18.906   78.757   26.713 30.97373 32.72608 
1 1 1  -20   20   19 o   89.856   16.917  108.908   36.567   78.327   45.818  162.567   60.691   75.068   22.593  107.322   23.313 -32.25392 32.46441 
1 1 1  -20   20   20 o  164.294   12.625  348.556   51.399  307.848   66.605  408.493   80.819  151.828   17.912  174.562   18.839 -22.73392 25.99514 
1 1 1  -20   20   21 o  132.342   13.704  228.332   44.635  201.242   57.387  269.814   71.014  121.559   19.569  140.346   20.900 -18.78653 28.63167 
1 1 1  -20   20   22 o  171.575   12.884  380.806   54.797  386.471   72.054  373.036   84.389  170.622   17.143  165.281   20.914 5.340927 27.04238 
1 1 1  -20   20   23 o  116.061   14.801  177.567   41.920  160.302   53.287  205.601   67.902  107.650   20.572  120.707   23.371 -13.05671 31.13588 
1 1 1  -20   20   24 o  138.865   13.828  251.770   47.315  268.774   61.336  226.783   74.355  141.609   17.734  126.146   24.487 15.46342 30.23403 
1 1 1  -20   20   25 o  175.129   12.942  397.401   56.200  390.110   73.986  407.346   86.409  170.935   17.583  172.820   20.417 -1.885773 26.94481 
1 1 1  -20   20   26 o  103.062   15.768  141.870   39.291  153.585   50.190  123.328   63.145  105.491   19.779   91.697   26.245 13.79440 32.86323 
1 1 1  -20   20   27 o   98.856   16.059  131.196   38.282  134.019   48.214  126.381   62.974   98.023   20.362   92.683   26.099 5.340729 33.10269 
1 1 1  -20   20   28 o   32.125   14.584 -12.8785   25.420 -16.0437   29.606  -3.9989   49.588   34.272   15.628   48.293   21.244 -14.02074 26.37324 
1 1 1  -20   20   29 o  152.911   13.205  305.121   49.928  288.646   65.053  328.735   77.883  145.906   18.254  154.124   20.764 -8.217743 27.64707 
1 1 1  -20   20   30 o  170.935   13.319  381.690   56.404  376.445   74.345  388.803   86.580  166.675   18.156  167.105   21.227 -0.4301910 27.93234 
1 1 1  -20   20   31 o   31.334   14.232 -12.1992   24.242 -12.4400   27.497 -11.3588   51.365   33.629   15.228   47.175   21.133 -13.54528 26.04765 
1 1 1  -20   20   32 o   86.016   17.254  102.215   35.773  101.279   44.053  104.027   61.298   83.926   21.055   83.219   26.329 0.7076492 33.71236 
1 1 1  -20   20   33 o   72.865   18.689   75.111   34.171   90.858   41.491   41.910   60.247   79.382   20.712   62.796   25.198 16.58620 32.61813 
1 1 1  -20   21    1 o   75.718   26.028   86.196   59.499  125.373   63.990 -163.9361  161.688   89.339   26.658   62.531   30.636 26.80782 40.61060 
1 1 1  -20   21    2 o   49.451   21.662   2.0353   51.086  -8.8485   53.893   98.421  160.381   48.264   21.632   86.475   38.116 -38.21096 43.82673 
1 1 1  -20   21    3 o   97.156   25.298  143.417   61.980  134.301   66.714  200.908  167.531   92.931   27.087  102.130   41.643 -9.198807 49.67709 
1 1 1  -20   21    4 o   48.891   21.133   5.2108   47.280   5.5686   49.591   1.6382  156.705   49.949   21.617   76.333   35.230 -26.38416 41.33332 
1 1 1  -20   21    5 o  129.276   22.106  238.664   68.800  223.627   75.258  315.171  169.754  122.636   25.410  124.557   43.894 -1.921028 50.71809 
1 1 1  -20   21    6 o   56.205   22.564   29.248   48.333   35.651   50.936 -28.6499  153.170   58.958   23.329   73.642   34.277 -14.68367 41.46299 
1 1 1  -20   21    7 o  132.958   21.562  249.013   69.137  231.471   75.407  341.538  173.179  125.802   24.885  131.430   44.416 -5.628319 50.91181 
1 1 1  -20   21    8 f   70.178   24.137   67.627   51.169   65.312   53.779   89.753  166.276   69.656   24.689   89.921   39.244 -20.26477 46.36360 
1 1 1  -20   21    9 o   94.905   24.127  131.384   57.305  112.204   61.153  269.569  164.144   87.115   26.075  119.890   43.064 -32.77480 50.34327 
1 1 1  -20   21   10 o  111.188   17.729  167.994   47.572  165.519   64.754  170.897   70.118  106.521   24.806  107.353   26.351 -0.8320847 36.18998 
1 1 1  -20   21   11 o  109.419   15.630  159.792   41.494  148.617   52.030  179.318   68.778  102.956   20.950  110.764   25.406 -7.808418 32.92989 
1 1 1  -20   21   12 o   43.214   17.946   9.2000   31.870  -4.8417   39.111   36.948   54.980   42.947   18.880   61.162   24.226 -18.21474 30.71426 
1 1 1  -20   21   13 f   66.389   19.465   60.722   34.360   52.845   42.491   75.604   58.406   63.661   21.989   74.355   25.775 -10.69347 33.88037 
1 1 1  -20   21   14 o  163.000   12.944  344.811   52.255  342.452   67.547  348.328   82.463  160.199   17.151  158.917   21.317 1.281876 27.36021 
1 1 1  -20   21   15 o   58.816   19.720   45.011   34.134   37.383   41.741   60.409   59.305   57.510   21.537   69.539   25.744 -12.02899 33.56433 
1 1 1  -20   21   16 o  214.615   12.290  594.034   65.594  627.230   86.062  548.021  101.324  218.244   15.901  200.526   20.524 17.71812 25.96261 
1 1 1  -20   21   17 o   79.627   18.480   87.501   36.039   78.569   44.588  104.330   61.205   74.819   22.236   84.881   26.226 -10.06182 34.38415 
1 1 1  -20   21   18 o  210.671   12.640  573.491   66.192  569.328   86.715  579.304  102.462  207.189   16.908  206.549   20.120 0.6401215 26.28111 
1 1 1  -20   21   19 o   89.215   17.423  108.396   37.423   85.927   46.599  149.208   62.803   77.943   22.615  101.413   24.966 -23.46984 33.68599 
1 1 1  -20   21   20 o  193.778   12.950  486.456   62.306  468.081   81.854  511.768   96.073  187.164   17.724  193.980   20.126 -6.815887 26.81812 
1 1 1  -20   21   21 o   93.036   16.834  117.139   37.671  127.703   46.975   98.105   63.056   95.742   20.279   82.552   26.766 13.19050 33.58076 
1 1 1  -20   21   22 o  197.951   12.355  506.151   60.769  485.543   79.404  535.285   94.411  191.195   16.801  199.007   19.238 -7.811462 25.54172 
1 1 1  -20   21   23 o  116.091   15.184  178.722   42.964  187.535   54.558  164.334   69.711  116.948   19.359  105.493   26.498 11.45544 32.81602 
1 1 1  -20   21   24 o  177.506   13.070  409.319   57.528  389.589   75.481  436.664   88.861  170.228   18.031  178.687   20.273 -8.458801 27.13157 
1 1 1  -20   21   25 o   80.353   18.604   89.544   36.594   86.443   45.261   95.398   62.185   77.984   22.185   81.294   26.593 -3.309990 34.63126 
1 1 1  -20   21   26 o   46.680   18.202   20.280   30.613   2.9183   36.363   62.533   56.727   43.535   18.673   69.394   25.261 -25.85960 31.41295 
1 1 1  -20   21   27 o  157.074   13.442  322.479   52.218  319.486   68.089  326.754   81.367  153.636   18.094  152.722   21.967 0.9136810 28.45992 
1 1 1  -20   21   28 o   91.917   16.764  115.138   37.061   95.680   45.799  152.049   63.079   81.635   21.978  101.480   25.044 -19.84440 33.32061 
1 1 1  -20   21   29 o  142.806   14.002  268.707   49.289  293.382   63.827  232.253   77.579  147.041   17.741  125.366   25.645 21.67549 31.18365 
1 1 1  -20   21   30 o   88.148   17.431  107.274   37.009  120.738   45.979   82.500   62.368   92.131   20.512   75.895   26.616 16.23592 33.60317 
1 1 1  -20   21   31 o   79.364   18.444   88.544   35.859   88.778   44.222   88.096   61.275   78.223   21.816   77.423   26.419 0.8003387 34.26197 
1 1 1  -20   21   32 o   62.574   19.163   54.765   32.760   51.210   39.146   63.076   59.850   61.470   21.113   68.779   25.782 -7.308643 33.32405 
1 1 1  -20   22    3 o   54.168   22.859   19.986   52.980   5.6786   55.809  150.513  168.566   51.761   22.659   91.784   39.789 -40.02284 45.78823 
1 1 1  -20   22    4 o   46.298   20.614  -5.6819   48.088 -11.8413   50.288   60.132  164.384   45.969   20.725   81.589   37.058 -35.61981 42.45985 
1 1 1  -20   22    5 o   78.834   25.223   93.766   56.136   62.217   59.466  352.021  170.140   68.164   25.671  128.011   44.013 -59.84723 50.95258 
1 1 1  -20   22    6 o   49.747   21.236   10.162   46.632   7.3343   48.709   41.212  161.399   49.868   21.503   80.499   36.624 -30.63041 42.47003 
1 1 1  -20   22    7 o  108.537   24.204  174.859   63.931  158.848   68.587  280.927  176.530  101.616   26.686  115.593   44.063 -13.97633 51.51435 
1 1 1  -20   22    8 o   97.983   24.729  143.584   60.512  137.888   64.591  184.460  173.029   95.073   26.313  100.944   41.859 -5.871422 49.44190 
1 1 1  -20   22    9 o   85.743   26.059  110.675   60.734  100.628   65.086  178.349  168.920   81.986   27.224  100.665   41.518 -18.67871 49.64770 
1 1 1  -20   22   10 o   64.562   24.040   52.399   51.865   52.399   51.865   0.0000   0.0000   64.562   24.040  ?   ?  0.000000 24.04022 
1 1 1  -20   22   11 o   44.363   19.674  -6.9543   43.373  -8.4573   45.015   12.528  162.063   44.823   19.952   79.615   36.406 -34.79216 41.51517 
1 1 1  -20   22   12 o  123.192   21.961  215.111   65.080  224.000   69.978  158.194  177.074  124.863   23.300   99.445   41.868 25.41801 47.91473 
1 1 1  -20   22   13 o  100.998   23.348  147.858   57.708  166.940   61.198  -5.2756  173.363  107.399   23.474   80.114   37.003 27.28439 43.82072 
1 1 1  -20   22   14 o  159.115   20.377  349.718   79.107  384.012   86.940  184.711  190.703  165.968   21.481  104.254   43.647 61.71373 48.64624 
1 1 1  -20   22   15 o   73.030   20.621   75.219   39.257   88.557   50.595   55.044   62.227   78.416   23.774   67.910   26.096 10.50668 35.30135 
1 1 1  -20   22   16 o  151.409   13.393  299.639   50.115  332.845   64.162  247.685   80.255  157.860   16.521  130.196   25.597 27.66365 30.46547 
1 1 1  -20   22   17 o  105.209   16.245  148.988   41.305  134.362   51.721  174.741   68.629   97.152   21.849  108.861   25.664 -11.70861 33.70469 
1 1 1  -20   22   18 o  110.062   15.535  161.824   41.510  140.265   52.076  199.391   68.743   99.465   21.586  117.447   24.242 -17.98248 32.45989 
1 1 1  -20   22   19 o  117.589   14.908  183.446   42.793  187.500   54.413  176.875   69.283  116.672   19.354  109.519   25.764 7.153168 32.22381 
1 1 1  -20   22   20 o  212.209   12.976  584.929   68.434  604.755   89.551  557.097  106.101  212.904   16.985  200.496   21.529 12.40808 27.42220 
1 1 1  -20   22   21 f   77.909   18.945   84.703   36.502   65.099   45.185  121.526   61.928   68.760   22.676   90.561   26.011 -21.80136 34.50816 
1 1 1  -20   22   22 o  103.658   16.701  145.306   41.763  112.379   51.437  209.002   71.541   88.182   23.087  119.949   24.706 -31.76727 33.81448 
1 1 1  -20   22   23 o  109.540   15.819  160.839   42.017  202.657   52.982   89.960   68.977  122.086   17.911   79.456   27.982 42.62943 33.22342 
1 1 1  -20   22   24 o  106.902   15.833  153.442   40.989  134.244   51.005  188.447   68.875   97.107   21.592  113.388   24.997 -16.28088 33.03156 
1 1 1  -20   22   25 o   79.125   18.901   87.625   36.834   84.026   45.405   94.552   62.996   76.567   22.354   80.465   26.787 -3.898926 34.88904 
1 1 1  -20   22   26 o   92.940   17.353  118.511   38.792  158.183   48.666   49.376   64.244  106.892   18.924   66.445   26.229 40.44709 32.34345 
1 1 1  -20   22   27 o   96.195   16.910  126.440   39.138   95.427   47.984  188.089   67.651   81.034   22.769  113.020   24.663 -31.98566 33.56640 
1 1 1  -20   22   28 o   97.254   16.746  129.217   39.203  103.731   48.324  178.280   67.048   84.367   22.517  109.457   25.069 -25.08981 33.69677 
1 1 1  -20   22   29 o   76.318   19.081   82.469   36.268   51.173   44.595  143.603   62.327   62.502   22.447   97.570   25.351 -35.06858 33.86012 
1 1 1  -20   22   30 o  171.203   14.117  387.946   59.814  312.574   79.724  485.008   90.470  147.540   22.337  186.777   19.694 -39.23665 29.77915 
1 1 1  -20   22   31 o  137.904   54.132  556.822  272.194   0.0000   0.0000  556.822  272.194  ?   ?   137.904   54.132 0.000000 54.13201 
1 1 1  -20   23    6 o   67.785   24.525   65.102   53.357   51.779   56.079  192.420  173.361   63.844   24.707   97.227   41.207 -33.38278 48.04607 
1 1 1  -20   23    7 o   65.777   24.341   58.658   53.008   71.123   55.773 -57.7872  170.465   70.314   25.119   71.351   34.084 -1.036644 42.33993 
1 1 1  -20   23    8 o   88.024   39.337  105.022  176.844   0.0000   0.0000  105.022  176.844  ?   ?    88.024   39.337 0.000000 39.33744 
1 1 1  -20   23    9 o   66.792   24.277   60.796   52.366   67.550   54.558 -18.2349  186.629   69.383   24.837   77.769   36.715 -8.385986 44.32684 
1 1 1  -20   23   10 o   39.134   18.156 -27.8223   42.426 -23.3226   43.956 -89.1053  162.217   40.820   18.774   68.711   32.937 -27.89021 37.91177 
1 1 1  -20   23   11 o   83.728   24.570  105.053   54.727  110.294   57.673   57.646  173.464   85.440   25.265   84.140   38.160 1.300240 45.76567 
1 1 1  -20   23   12 o   40.380   18.387 -17.7599   40.788 -21.2005   42.007   38.935  170.518   40.313   18.471   82.212   37.497 -41.89923 41.79922 
1 1 1  -20   23   13 o   56.647   22.143   34.099   45.391   31.604   46.966   69.457  176.786   56.318   22.365   86.528   38.948 -30.20985 44.91220 
1 1 1  -20   23   14 o   81.882   24.430   99.215   53.743  106.709   56.127   16.576  186.380   84.614   24.897   82.608   38.230 2.005638 45.62191 
1 1 1  -20   23   15 o   67.563   23.492   62.486   48.535   67.486   50.407  -1.0843  179.734   69.641   23.956   80.313   37.298 -10.67159 44.32896 
1 1 1  -20   23   16 o  166.525   19.680  382.900   80.257  366.289   87.188  475.103  205.411  160.722   22.327  148.842   48.314 11.88036 53.22321 
1 1 1  -20   23   17 o   90.887   23.226  120.799   52.909  115.820   55.056  180.945  191.363   88.545   24.206  102.014   43.268 -13.46868 49.57837 
1 1 1  -20   23   18 o  166.775   19.072  381.433   78.002  318.724   82.999  855.722  228.260  149.399   22.984  215.706   43.869 -66.30707 49.52557 
1 1 1  -20   23   19 o   51.879   20.749   23.940   40.699   19.657   41.585  121.285  198.240   50.831   20.739   95.266   42.164 -44.43484 46.98846 
1 1 1  -20   23   20 o   90.852   23.249  120.608   52.965  107.899   54.696  311.880  212.194   85.496   24.411  120.039   47.579 -34.54337 53.47560 
1 1 1  -20   23   21 o   60.448   20.630   48.523   37.365   75.056   46.151  -1.9578   63.659   72.526   22.834   54.094   23.920 18.43214 33.06913 
1 1 1  -20   23   22 o  112.402   16.890  171.623   45.943  169.099   59.525  175.343   72.258  108.203   22.751  107.425   26.974 0.7775497 35.28801 
1 1 1  -20   23   23 o   72.921   20.209   75.532   38.072   77.524   47.506   71.957   63.656   73.479   23.171   72.682   26.713 0.7974319 35.36200 
1 1 1  -20   23   24 o   95.091   18.397  125.696   42.106   90.832   52.198  190.638   71.242   78.695   24.204  112.742   25.855 -34.04652 35.41687 
1 1 1  -20   23   25 o   94.402   18.589  124.338   42.261  156.328   53.672   72.142   68.557  104.580   21.276   73.129   27.559 31.45084 34.81571 
1 1 1  -20   23   26 o   71.680   22.176   73.833   43.744   67.863   44.477  250.437  241.905   69.152   22.483  108.128   47.258 -38.97617 52.33390 
1 1 1  -20   23   27 o   52.399   20.573   27.751   39.322   20.986   39.845  280.284  243.432   50.284   20.381  110.389   47.835 -60.10492 51.99564 
1 1 1  -20   23   28 o   56.180   21.020   37.930   39.744   38.501   40.287   17.173  242.859   56.536   21.161   86.707   41.212 -30.17046 46.32734 
1 1 1  -20   23   29 o   52.030   20.383   28.027   38.529   24.827   38.958  170.989  260.376   51.053   20.339   97.921   45.270 -46.86772 49.62902 
1 1 1  -20   23   30 o   86.672   22.887  112.288   50.268  119.395   51.232 -71.2110  260.324   89.424   22.856   81.401   39.662 8.023415 45.77600 
1 1 1  -20   24    9 o   73.229   24.977   80.820   54.770   84.909   57.128   34.330  192.639   74.693   25.509   80.320   37.727 -5.626762 45.54113 
1 1 1  -20   24   10 o   46.963   20.730  -1.1187   47.605 -10.4253   49.286  128.374  183.844   45.661   20.558   89.425   40.026 -43.76475 44.99631 
1 1 1  -20   24   11 o  107.464   24.374  174.983   63.904  197.466   68.054   7.3060  185.850  114.187   24.593   78.536   36.942 35.65056 44.37962 
1 1 1  -20   24   12 o   69.780   24.501   69.894   52.856   59.199   55.018  197.952  190.385   66.357   24.750   99.152   42.633 -32.79481 49.29643 
1 1 1  -20   24   13 o   50.922   21.386   16.027   46.015   19.036   47.503 -29.7415  185.278   52.314   21.833   76.287   36.183 -23.97247 42.25934 
1 1 1  -20   24   14 o   71.939   24.405   75.187   52.286   70.815   54.281  131.394  194.628   70.467   24.822   92.481   41.303 -22.01418 48.18807 
1 1 1  -20   24   15 o   70.570   23.646   71.711   49.078   65.516   50.663  166.084  197.740   68.339   23.988   96.868   42.521 -28.52886 48.82087 
1 1 1  -20   24   16 o   93.158   24.031  130.027   56.274  128.718   58.531  146.017  204.594   92.202   24.856   95.168   42.437 -2.965981 49.18005 
1 1 1  -20   24   17 o   58.661   22.478   40.207   46.086   43.331   47.400 -13.8175  197.106   60.049   22.846   80.031   37.767 -19.98249 44.13950 
1 1 1  -20   24   18 o  120.805   22.003  210.233   63.932  199.199   66.969  323.648  214.707  116.168   23.883  117.468   47.416 -1.299324 53.09173 
1 1 1  -20   24   19 o   86.726   24.280  112.738   54.668  116.965   56.325   44.042  227.066   88.149   24.634   87.827   41.159 0.3221893 47.96739 
1 1 1  -20   24   20 o  110.913   22.673  179.250   60.678  166.800   62.970  341.006  226.968  105.748   24.349  118.697   48.442 -12.94804 54.21736 
1 1 1  -20   24   21 o   87.079   23.408  112.619   51.999  115.959   53.439   53.137  225.520   88.196   23.739   88.347   41.279 -0.1508560 47.61817 
1 1 1  -20   24   22 o   70.655   22.984   71.833   46.478   73.791   47.497   27.659  225.599   71.472   23.234   86.252   40.611 -14.78019 46.78790 
1 1 1  -20   24   23 o   63.450   22.371   54.449   44.101   57.835   44.949 -32.7634  228.124   64.890   22.605   82.048   39.258 -17.15778 45.30128 
1 1 1  -20   24   24 o   94.220   22.991  131.453   53.617  132.384   54.966  113.185  243.525   94.289   23.444   93.493   43.418 0.7957916 49.34315 
1 1 1  -20   24   25 o   88.129   22.825  115.276   50.631  100.385   51.676  472.371  253.057   81.828   23.836  130.319   51.862 -48.49081 57.07752 
1 1 1  -20   24   26 o   97.182   22.427  139.300   53.321  130.150   54.565  333.115  251.129   93.216   23.459  112.630   48.696 -19.41438 54.05170 
1 1 1  -20   24   27 f   76.960   22.912   88.189   47.310   90.777   48.125   13.718  258.183   77.967   23.085   85.911   41.280 -7.943245 47.29656 
1 1 1  -20   24   28 o   50.773   20.304   24.644   38.967   22.897   39.423   98.817  256.839   50.350   20.320   90.484   42.825 -40.13362 47.40144 
1 1 1  -20   25   12 o   59.789   23.422   43.505   50.871   55.289   52.731 -114.7537  193.240   63.892   24.147   69.122   33.786 -5.230587 41.52814 
1 1 1  -20   25   13 o   53.583   22.152   24.630   48.246   18.922   49.768  113.706  196.605   52.525   22.160   86.988   39.895 -34.46281 45.63645 
1 1 1  -20   25   14 o   63.358   23.548   54.175   49.719   54.598   51.337   47.780  199.594   63.743   23.882   81.888   38.444 -18.14518 45.25754 
1 1 1  -20   25   15 o   37.832   17.747 -33.2054   42.394 -29.4160   43.391 -112.8405  198.916   39.043   18.197   70.997   34.609 -31.95348 39.10164 
1 1 1  -20   25   16 o   45.238   19.815   0.7294   42.737   10.168   43.719 -202.4463  202.838   48.128   20.554   66.939   33.087 -18.81122 38.95202 
1 1 1  -20   25   17 o  102.089   23.978  157.986   60.089  149.929   62.467  257.821  219.891   98.410   25.284  103.843   45.230 -5.433006 51.81695 
1 1 1  -20   25   18 o   44.964   19.892  -3.1726   44.080 -16.7165   44.992  320.885  220.076   42.407   19.310  111.735   46.840 -69.32788 50.66403 
1 1 1  -20   25   19 o   65.146   23.679   58.297   49.817   62.085   51.122 -13.0838  221.917   66.641   24.023   80.636   38.619 -13.99572 45.48110 
1 1 1  -20   25   20 o   57.519   22.249   38.692   45.460   44.331   46.283 -115.7859  242.239   59.643   22.603   76.790   37.596 -17.14705 43.86729 
1 1 1  -20   25   21 o   47.045   20.103   8.7826   41.858   5.3302   42.483  123.579  244.976   46.385   20.041   91.839   42.947 -45.45423 47.39315 
1 1 1  -20   25   22 o   38.345   17.585 -19.1196   38.190 -24.7609   38.679  199.782  240.941   37.448   17.360   97.836   44.603 -60.38863 47.86224 
1 1 1  -20   25   23 o   80.000   23.568   96.879   50.266   85.650   51.293  369.004  252.510   75.398   24.109  113.587   48.970 -38.18900 54.58263 
1 1 1  -20   25   24 o   63.472   22.547   55.805   44.878   58.012   45.601 -12.1953  253.079   64.400   22.744   82.764   40.040 -18.36359 46.04847 
1 1 1  -20   25   25 o  102.110   22.796  156.031   56.657  149.944   58.002  282.658  264.550   99.372   23.705  103.183   46.923 -3.810333 52.57079 
1 1 1  -20   25   26 o   52.515   20.835   28.640   40.726   28.801   41.225   22.095  262.547   52.726   20.948   84.452   40.838 -31.72579 45.89767 
1 1 1  -20   26   16 o   56.083   22.739   33.355   49.616   33.123   50.940   37.647  219.004   56.363   22.970   80.114   38.368 -23.75142 44.71840 
1 1 1  -20   26   17 o   77.769   24.766   94.945   54.167   84.674   55.682  275.995  233.778   73.852   25.184   99.881   44.889 -26.02834 51.47112 
1 1 1  -20   26   18 o   70.561   24.565   75.266   53.077   67.838   54.554  206.967  229.698   68.025   24.770   94.086   43.140 -26.06052 49.74587 
1 1 1  -20   26   19 o   71.830   24.426   78.597   52.380   81.883   53.548   5.7216  252.158   73.030   24.698   81.086   39.401 -8.055771 46.50159 
1 1 1  -20   26   20 o   64.309   23.467   58.360   48.999   50.779   49.838  277.833  268.168   61.805   23.448   99.149   45.874 -37.34389 51.51944 
1 1 1  -20   26   21 o   47.142   20.253   9.1111   42.904   0.8314   43.539  286.412  251.971   45.291   19.915  100.619   45.771 -55.32772 49.91586 
1 1 1  -20   26   22 o   50.203   20.912   19.278   43.467   19.873   44.095  -1.1879  258.516   50.600   21.069   81.119   39.524 -30.51974 44.78933 
1 1 1  -20   26   23 o   79.647   24.224   99.015   52.469  106.265   53.552 -74.8164  262.214   82.360   24.343   77.622   38.225 4.738144 45.31803 
1 1 1  -20   26   24 o   60.308   22.459   48.928   45.269   63.200   45.970 -408.5256  260.255   65.735   22.862   65.019   32.877 0.7165298 40.04447 
1 1 1  -19  -34    1 o   64.371   24.200   80.839   52.805   0.0000   0.0000   80.839   52.805  ?   ?    64.371   24.200 0.000000 24.20037 
1 1 1  -19  -34    2 o   71.332   25.157  107.282   55.773   0.0000   0.0000  107.282   55.773  ?   ?    71.332   25.157 0.000000 25.15734 
1 1 1  -19  -33    1 o   67.105   23.884   80.557   50.381   33.300  185.865   84.305   52.341   64.772   31.952   68.147   24.335 -3.375145 40.16309 
1 1 1  -19  -33    2 o   48.356   20.781   24.072   45.189   0.0000   0.0000   24.072   45.189  ?   ?    48.356   20.781 0.000000 20.78065 
1 1 1  -19  -33    3 o   44.408   19.905   9.4183   45.635   0.0000   0.0000   9.4183   45.635  ?   ?    44.408   19.905 0.000000 19.90451 
1 1 1  -19  -33    4 o   61.924   23.858   74.823   52.110   0.0000   0.0000   74.823   52.110  ?   ?    61.924   23.858 0.000000 23.85813 
1 1 1  -19  -32    1 o  134.811   22.281  289.483   72.386  266.997  182.272  293.693   78.873   88.214   39.642  132.572   24.734 -44.35809 46.72572 
1 1 1  -19  -32    2 o   56.881   22.578   47.134   47.843   90.011  176.066   43.715   49.714   70.636   33.978   56.075   22.753 14.56097 40.89233 
1 1 1  -19  -32    3 o   64.760   24.394   73.502   53.704   0.0000   0.0000   73.502   53.704  ?   ?    64.760   24.394 0.000000 24.39398 
1 1 1  -19  -32    4 o   76.493   25.451  112.148   56.873   0.0000   0.0000  112.148   56.873  ?   ?    76.493   25.451 0.000000 25.45115 
1 1 1  -19  -32    5 o   43.513   19.687   4.1092   45.845   0.0000   0.0000   4.1092   45.845  ?   ?    43.513   19.687 0.000000 19.68675 
1 1 1  -19  -31    1 o  163.103   21.492  405.087   85.403  237.231  182.443  452.190   96.646   90.748   40.293  169.648   23.439 -78.89983 46.61444 
1 1 1  -19  -31    2 o   54.876   22.477   35.641   49.087 -61.1561  160.312   45.655   51.563   62.684   30.667   58.253   23.334 4.431049 38.53538 
1 1 1  -19  -31    3 o   78.452   25.129  107.191   55.706  117.125  173.085  106.043   58.837   75.349   35.507   77.342   25.890 -1.992554 43.94326 
1 1 1  -19  -31    4 o   70.206   25.254   86.973   56.467   0.0000   0.0000   86.973   56.467  ?   ?    70.206   25.254 0.000000 25.25373 
1 1 1  -19  -31    5 o   53.266   22.382   34.583   50.443   0.0000   0.0000   34.583   50.443  ?   ?    53.266   22.382 0.000000 22.38185 
1 1 1  -19  -31    6 o   61.677   23.955   65.688   52.862   0.0000   0.0000   65.688   52.862  ?   ?    61.677   23.955 0.000000 23.95462 
1 1 1  -19  -31    7 o   70.350   25.400   97.691   57.184   0.0000   0.0000   97.691   57.184  ?   ?    70.350   25.400 0.000000 25.39966 
1 1 1  -19  -30    1 o   61.971   30.180 -93.8210  150.214 -93.8210  150.214   0.0000   0.0000   61.971   30.180  ?   ?  0.000000 30.18017 
1 1 1  -19  -30    2 o   57.304   23.147   39.102   51.205  258.447  155.219   12.317   54.241  100.412   40.392   51.246   22.388 49.16593 46.18151 
1 1 1  -19  -30    3 o   62.630   24.161   56.887   53.495  205.354  158.312   37.750   56.838   89.954   38.778   57.702   23.964 32.25191 45.58513 
1 1 1  -19  -30    4 o  132.751   23.234  278.910   74.217  179.562  180.166  299.214   81.449   83.641   38.298  135.362   25.017 -51.72061 45.74490 
1 1 1  -19  -30    5 o   68.102   25.107   77.407   56.295   0.0000   0.0000   77.407   56.295  ?   ?    68.102   25.107 0.000000 25.10707 
1 1 1  -19  -30    6 o   71.198   25.542   89.621   57.724   0.0000   0.0000   89.621   57.724  ?   ?    71.198   25.542 0.000000 25.54151 
1 1 1  -19  -30    7 o   71.615   25.014   92.616   55.056   0.0000   0.0000   92.616   55.056  ?   ?    71.615   25.014 0.000000 25.01352 
1 1 1  -19  -30    8 f   53.420   22.437   37.256   50.657   0.0000   0.0000   37.256   50.657  ?   ?    53.420   22.437 0.000000 22.43698 
1 1 1  -19  -29    1 o   82.861   25.251  107.781   56.970  207.617  147.803   90.360   61.740   99.287   39.597   76.243   26.496 23.04359 47.64407 
1 1 1  -19  -29    2 o   95.286   39.294  196.109  151.280  196.109  151.280   0.0000   0.0000   95.286   39.294  ?   ?  0.000000 39.29370 
1 1 1  -19  -29    3 o   47.632   21.082   1.6322   49.558 -76.3429  146.505   11.707   52.662   62.975   30.466   51.056   22.186 11.91930 37.68807 
1 1 1  -19  -29    4 o   84.754   25.792  118.962   59.467   88.962  158.371  123.886   64.162   78.043   35.798   85.556   26.922 -7.513763 44.79119 
1 1 1  -19  -29    5 o   85.002   25.576  120.987   58.718  107.920  148.074  123.425   63.962   78.380   35.428   84.678   26.906 -6.298325 44.48719 
1 1 1  -19  -29    6 o  145.895   25.538  348.662   89.651   0.0000   0.0000  348.662   89.651  ?   ?   145.895   25.538 0.000000 25.53785 
1 1 1  -19  -29    7 o  118.197   25.749  236.025   73.851   0.0000   0.0000  236.025   73.851  ?   ?   118.197   25.749 0.000000 25.74925 
1 1 1  -19  -29    8 o   48.851   21.394   14.404   49.800   0.0000   0.0000   14.404   49.800  ?   ?    48.851   21.394 0.000000 21.39391 
1 1 1  -19  -29    9 o   86.227   26.560  139.219   62.825   0.0000   0.0000  139.219   62.825  ?   ?    86.227   26.560 0.000000 26.55968 
1 1 1  -19  -28    1 o   68.753   24.879   65.392   54.909   36.996  135.642   70.958   60.049   76.302   34.250   71.160   25.976 5.141716 42.98629 
1 1 1  -19  -28    2 o  117.280   23.635  205.009   66.829  202.309  148.911  205.690   74.783  100.971   39.909  115.006   26.573 -14.03548 47.94683 
1 1 1  -19  -28    3 o  115.063   42.199  295.332  158.737  295.332  158.737   0.0000   0.0000  115.063   42.199  ?   ?  0.000000 42.19922 
1 1 1  -19  -28    4 o  173.571   21.002  437.581   89.178  261.042  169.274  505.403  104.919  104.743   42.165  183.663   23.408 -78.92004 48.22647 
1 1 1  -19  -28    5 o   76.022   25.668   92.141   57.837 -141.7381  139.599  140.605   63.547   57.377   28.183   92.749   26.253 -35.37222 38.51595 
1 1 1  -19  -28    6 o  108.648   24.256  186.502   64.145  183.221  149.623  187.241   71.001   90.355   38.287  106.263   26.770 -15.90792 46.71747 
1 1 1  -19  -28    7 o   69.099   24.958   75.474   55.223   0.0000   0.0000   75.474   55.223  ?   ?    69.099   24.958 0.000000 24.95850 
1 1 1  -19  -28    8 o   65.955   24.930   67.772   56.206   0.0000   0.0000   67.772   56.206  ?   ?    65.955   24.930 0.000000 24.92955 
1 1 1  -19  -28    9 o   85.504   26.853  130.797   63.870   0.0000   0.0000  130.797   63.870  ?   ?    85.504   26.853 0.000000 26.85302 
1 1 1  -19  -28   10 o   63.603   24.632   65.315   55.771   0.0000   0.0000   65.315   55.771  ?   ?    63.603   24.632 0.000000 24.63221 
1 1 1  -19  -27    1 o  156.830   13.750  322.573   53.305  322.222  156.196  322.619   56.709  131.334   42.079  156.312   14.701 -24.97845 44.57343 
1 1 1  -19  -27    2 o  295.339   20.032  1201.90  146.867  1242.18  235.635  1176.30  187.810  275.757   35.007  281.714   27.029 -5.956512 44.22733 
1 1 1  -19  -27    3 o  132.240   23.181  254.312   73.758  148.254  151.808  287.085   84.388   94.214   39.149  138.900   25.260 -44.68576 46.59105 
1 1 1  -19  -27    4 o  200.127   39.771  734.577  191.755  734.577  191.755   0.0000   0.0000  200.127   39.771  ?   ?  0.000000 39.77127 
1 1 1  -19  -27    5 o   56.678   23.564   27.582   55.036   14.840  128.575   30.440   60.897   70.814   32.398   59.032   24.685 11.78266 40.73087 
1 1 1  -19  -27    6 o   99.399   25.278  155.503   62.888   46.346  139.172  183.510   70.495   74.915   34.055  107.169   26.492 -32.25391 43.14569 
1 1 1  -19  -27    7 o   49.147   21.324   9.2580   48.496   54.043  136.387   2.7761   51.887   74.298   33.750   48.914   21.614 25.38424 40.07808 
1 1 1  -19  -27    8 o   53.335   22.151   26.481   48.565  118.057  139.608   13.873   51.800   81.384   35.727   51.087   22.102 30.29696 42.01037 
1 1 1  -19  -27    9 o   48.194   21.412   2.9466   51.605   0.0000   0.0000   2.9466   51.605  ?   ?    48.194   21.412 0.000000 21.41246 
1 1 1  -19  -27   10 o   70.925   25.367   82.907   56.895   0.0000   0.0000   82.907   56.895  ?   ?    70.925   25.367 0.000000 25.36653 
1 1 1  -19  -27   11 o   90.384   26.791  145.433   64.790   0.0000   0.0000  145.433   64.790  ?   ?    90.384   26.791 0.000000 26.79118 
1 1 1  -19  -26    1 o  144.852   25.013  298.370   87.206   0.0000   0.0000  298.370   87.206  ?   ?   144.852   25.013 0.000000 25.01287 
1 1 1  -19  -26    2 o  125.587   14.108  207.172   43.478   97.236  142.704  218.421   45.649   90.032   37.728  128.842   14.436 -38.80990 40.39600 
1 1 1  -19  -26    3 o   94.535   25.707  132.483   62.288   86.639  139.492  143.901   69.613   86.892   36.902   97.665   27.419 -10.77386 45.97348 
1 1 1  -19  -26    4 o  241.442   19.066  795.607  114.016  790.822  188.062  798.388  143.370  219.849   35.462  235.210   24.782 -15.36116 43.26303 
1 1 1  -19  -26    5 o  188.565   19.893  494.197   92.260  471.510  160.436  505.405  112.772  160.558   40.126  185.571   24.969 -25.01270 47.26088 
1 1 1  -19  -26    6 o  165.625   20.683  388.576   83.680  348.621  148.325  407.231  101.349  133.018   40.783  164.902   25.429 -31.88344 48.06115 
1 1 1  -19  -26    7 o   45.639   20.435  -7.6784   47.966 -118.8757  126.859   10.870   51.812   57.698   28.016   51.444   22.180 6.253990 35.73312 
1 1 1  -19  -26    8 o   63.199   24.150   53.024   53.110  174.712  134.228   30.437   57.829   93.871   37.632   57.783   24.100 36.08778 44.68716 
1 1 1  -19  -26    9 o  120.074   23.405  220.359   67.657  259.686  148.804  210.111   75.962  105.905   40.435  113.425   27.175 -7.520226 48.71839 
1 1 1  -19  -26   10 o   70.400   25.713   77.268   58.851   0.0000   0.0000   77.268   58.851  ?   ?    70.400   25.713 0.000000 25.71347 
1 1 1  -19  -26   11 o   56.868   23.614   34.904   55.177   0.0000   0.0000   34.904   55.177  ?   ?    56.868   23.614 0.000000 23.61422 
1 1 1  -19  -26   12 o   85.241   27.084  128.020   64.810   0.0000   0.0000  128.020   64.810  ?   ?    85.241   27.084 0.000000 27.08374 
1 1 1  -19  -25    1 o   72.928   18.091   72.420   32.789 -47.5492  124.073   81.428   33.997   68.593   31.545   77.388   17.941 -8.795708 36.29027 
1 1 1  -19  -25    2 o  187.190   23.902  485.011  109.178   0.0000   0.0000  485.011  109.178  ?   ?   187.190   23.902 0.000000 23.90180 
1 1 1  -19  -25    3 o  109.651   15.487  159.345   41.225   56.288  139.485  169.208   43.153   84.614   36.437  112.950   15.726 -28.33567 39.68620 
1 1 1  -19  -25    4 o   97.098   16.302  126.756   38.127   44.228  123.259  135.488   40.093   79.054   34.147  100.340   16.580 -21.28692 37.95948 
1 1 1  -19  -25    5 o  138.779   21.172  268.096   71.048  294.647  135.577  258.044   83.420  130.277   38.787  132.706   26.103 -2.429321 46.75254 
1 1 1  -19  -25    6 o  154.509   20.392  331.598   76.759  443.256  148.300  290.739   89.711  161.187   37.542  139.748   26.680 21.43892 46.05699 
1 1 1  -19  -25    7 o   91.553   26.570  128.546   64.318  -2.6987  129.554  171.474   74.094   71.085   32.522  104.954   27.821 -33.86876 42.79820 
1 1 1  -19  -25    8 o   69.835   24.833   69.243   54.451 -44.5117  128.326   94.221   60.132   65.330   30.720   78.795   26.168 -13.46519 40.35439 
1 1 1  -19  -25    9 o   58.406   23.556   35.891   52.939 -59.9033  133.502   53.765   57.666   64.055   30.478   64.681   25.048 -0.6256409 39.44988 
1 1 1  -19  -25   10 o   34.134   16.605 -66.6395   45.125 -140.7562  130.742 -56.6160   48.080   56.294   27.574   36.975   17.778 19.31958 32.80823 
1 1 1  -19  -25   11 o   80.469   26.889  106.043   63.462   0.0000   0.0000  106.043   63.462  ?   ?    80.469   26.889 0.000000 26.88874 
1 1 1  -19  -25   12 o  109.437   27.189  199.590   73.972   0.0000   0.0000  199.590   73.972  ?   ?   109.437   27.189 0.000000 27.18862 
1 1 1  -19  -25   13 o   41.817   19.672 -33.7380   52.715   0.0000   0.0000 -33.7380   52.715  ?   ?    41.817   19.672 0.000000 19.67165 
1 1 1  -19  -24    1 o  135.258   13.921  236.473   46.348  242.385  133.775  235.667   49.408  125.464   38.775  134.682   14.942 -9.217186 41.55426 
1 1 1  -19  -24    2 o  208.036   13.052  555.321   67.460  705.602  162.752  524.145   74.128  222.799   30.016  201.293   14.852 21.50671 33.48959 
1 1 1  -19  -24    3 o  236.120   24.311  764.283  141.296   0.0000   0.0000  764.283  141.296  ?   ?   236.120   24.311 0.000000 24.31074 
1 1 1  -19  -24    4 o   93.506   16.350  116.853   36.789  180.547  122.714  110.563   38.562  108.029   37.366   90.420   17.712 17.60837 41.35099 
1 1 1  -19  -24    5 o   29.564   13.390 -10.8746   21.277 -47.6647  113.893  -9.5443   21.658   64.934   29.992   30.290   13.633 34.64337 32.94501 
1 1 1  -19  -24    6 o  178.158   12.521  410.407   55.349  488.726  147.892  397.651   59.687  176.361   34.817  174.718   13.792 1.642914 37.44897 
1 1 1  -19  -24    7 o  239.856   19.357  780.714  114.952  631.657  185.211  874.110  146.607  192.905   39.770  248.835   23.887 -55.93053 46.39188 
1 1 1  -19  -24    8 o   76.737   33.419   45.326  120.016   45.326  120.016   0.0000   0.0000   76.737   33.419  ?   ?  0.000000 33.41923 
1 1 1  -19  -24    9 o  119.315   22.972  207.061   65.963  257.962  138.381  192.095   75.036  116.570   39.702  111.681   27.166 4.889389 48.10625 
1 1 1  -19  -24   10 o   69.426   25.158   67.805   56.178   36.831  134.740   74.322   61.806   75.528   33.999   72.082   26.348 3.446014 43.01301 
1 1 1  -19  -24   11 o   62.268   24.256   48.102   54.327  100.836  133.694   37.672   59.457   82.834   35.672   60.447   24.746 22.38651 43.41489 
1 1 1  -19  -24   12 o   50.734   22.412   3.3818   55.753   0.0000   0.0000   3.3818   55.753  ?   ?    50.734   22.412 0.000000 22.41225 
1 1 1  -19  -24   13 o  122.952   27.173  246.277   81.211   0.0000   0.0000  246.277   81.211  ?   ?   122.952   27.173 0.000000 27.17345 
1 1 1  -19  -23    1 o  326.454   14.934  1363.46  121.744  1181.77  234.427  1430.56  142.461  289.508   33.017  332.685   17.207 -43.17673 37.23140 
1 1 1  -19  -23    2 o   83.300   17.498   92.852   35.241  171.299  124.222   85.986   36.751  109.294   37.606   79.833   18.753 29.46065 42.02301 
1 1 1  -19  -23    3 o   87.196   17.222  101.603   36.169  229.591  128.873   90.660   37.684  122.888   38.071   81.864   18.826 41.02434 42.47134 
1 1 1  -19  -23    4 o  108.456   28.388  168.915   77.782   0.0000   0.0000  168.915   77.782  ?   ?   108.456   28.388 0.000000 28.38813 
1 1 1  -19  -23    5 o  193.878   13.429  484.108   64.614  274.571  145.371  535.695   72.131  130.470   40.437  203.591   14.278 -73.12137 42.88334 
1 1 1  -19  -23    6 o   64.045   18.229   55.511   30.552   7.0554  111.636   59.434   31.764   72.249   31.826   66.135   18.505 6.114044 36.81474 
1 1 1  -19  -23    7 o  180.576   13.019  421.544   58.313  257.277  144.063  453.731   63.770  123.552   40.478  187.010   13.752 -63.45768 42.75064 
1 1 1  -19  -23    8 o   51.388   17.913   32.398   28.229 -40.5973  120.593   36.630   29.036   66.979   30.910   53.706   18.187 13.27306 35.86340 
1 1 1  -19  -23    9 o  100.031   37.762  162.738  128.855  162.738  128.855   0.0000   0.0000  100.031   37.762  ?   ?  0.000000 37.76154 
1 1 1  -19  -23   10 o   78.777   25.606   91.020   57.690  -2.2789  125.590  115.972   64.948   71.060   32.321   87.507   27.013 -16.44732 42.12272 
1 1 1  -19  -23   11 o   90.606   25.650  125.203   60.657  162.866  138.877  116.324   67.428   96.405   38.403   86.621   27.636 9.783867 47.31325 
1 1 1  -19  -23   12 o   49.022   21.617  -0.1226   51.636 -126.6809  136.150   21.139   55.805   59.674   28.986   55.555   23.453 4.118820 37.28580 
1 1 1  -19  -23   13 o  131.863   26.599  272.191   84.565   0.0000   0.0000  272.191   84.565  ?   ?   131.863   26.599 0.000000 26.59907 
1 1 1  -19  -23   14 o   48.062   21.842 -12.3929   57.196   0.0000   0.0000 -12.3929   57.196  ?   ?    48.062   21.842 0.000000 21.84159 
1 1 1  -19  -23   15 o  101.371   28.568  175.717   75.419   0.0000   0.0000  175.717   75.419  ?   ?   101.371   28.568 0.000000 28.56761 
1 1 1  -19  -23   16 o  127.971   27.670  274.549   85.848   0.0000   0.0000  274.549   85.848  ?   ?   127.971   27.670 0.000000 27.66962 
1 1 1  -19  -22    1 o  230.914   13.446  679.495   77.196  617.674  162.533  697.503   87.722  210.695   31.888  233.341   15.136 -22.64526 35.29827 
1 1 1  -19  -22    2 o  157.389   13.761  317.480   53.540  222.381  134.506  335.385   58.363  123.115   39.007  161.533   14.627 -38.41735 41.65914 
1 1 1  -19  -22    3 o  155.685   13.550  310.800   52.153  305.944  134.478  311.660   56.582  143.546   37.208  155.530   14.744 -11.98447 40.02323 
1 1 1  -19  -22    4 o  144.051   13.208  266.385   46.983  244.583  121.318  270.232   50.960  128.226   36.266  144.766   14.283 -16.53963 38.97727 
1 1 1  -19  -22    5 o   84.537   28.683   95.321   72.225   0.0000   0.0000   95.321   72.225  ?   ?    84.537   28.683 0.000000 28.68289 
1 1 1  -19  -22    6 o  107.541   15.071  151.479   39.363 -18.6484  116.399  173.447   41.827   70.849   31.770  115.264   14.879 -44.41424 35.08166 
1 1 1  -19  -22    7 o   94.314   15.502  117.731   35.240   75.722  116.496  121.963   36.972   85.696   34.809   95.861   16.009 -10.16547 38.31413 
1 1 1  -19  -22    8 o  217.737   13.481  611.875   72.942  469.760  161.530  648.277   81.752  171.791   38.595  223.444   14.734 -51.65323 41.31187 
1 1 1  -19  -22    9 o   75.048   17.389   76.917   31.950  112.829  119.974   74.176   33.147   91.657   35.951   73.498   18.164 18.15881 40.27951 
1 1 1  -19  -22   10 o   65.600   19.673   59.122   34.786  108.094  122.215   54.805   36.286   89.756   35.934   63.636   20.271 26.11995 41.25732 
1 1 1  -19  -22   11 o  145.242   22.020  296.706   77.360  198.070  145.559  335.534   91.326  106.430   40.145  152.376   24.858 -45.94598 47.21798 
1 1 1  -19  -22   12 o   59.581   24.319   32.041   57.213 -78.1962  132.948   57.096   63.382   64.321   30.549   68.034   26.284 -3.713745 40.29981 
1 1 1  -19  -22   13 o  150.705   22.779  328.985   83.050  221.289  151.885  374.917   99.191  105.888   40.750  157.824   26.079 -51.93690 48.38034 
1 1 1  -19  -22   14 o   74.895   27.215   83.811   65.805   0.0000   0.0000   83.811   65.805  ?   ?    74.895   27.215 0.000000 27.21534 
1 1 1  -19  -22   15 o   84.391   27.944  116.155   68.591   0.0000   0.0000  116.155   68.591  ?   ?    84.391   27.944 0.000000 27.94428 
1 1 1  -19  -22   16 o  125.548   27.759  257.332   84.717   0.0000   0.0000  257.332   84.717  ?   ?   125.548   27.759 0.000000 27.75908 
1 1 1  -19  -22   17 o   48.469   22.004  -8.7991   57.858   0.0000   0.0000  -8.7991   57.858  ?   ?    48.469   22.004 0.000000 22.00373 
1 1 1  -19  -21    1 o  179.110   17.071  413.956   75.430  241.517  136.254  490.157   90.576  129.211   38.978  194.351   18.902 -65.13950 43.31948 
1 1 1  -19  -21    2 o  213.730   13.509  581.857   71.727  595.201  153.714  578.142   81.098  208.230   30.462  212.422   15.393 -4.191788 34.13002 
1 1 1  -19  -21    3 o  288.048   14.352  1056.06  103.234  934.680  196.166  1102.55  121.406  260.981   30.686  292.918   16.666 -31.93713 34.91969 
1 1 1  -19  -21    4 o  154.323   13.370  304.796   51.014  197.829  120.820  328.004   56.277  117.173   36.953  159.875   14.245 -42.70234 39.60331 
1 1 1  -19  -21    5 o  250.909   12.278  798.699   76.931  1018.75  163.469  736.096   87.190  276.490   23.911  239.663   14.639 36.82684 28.03640 
1 1 1  -19  -21    6 o   88.569   28.289  107.072   70.636   0.0000   0.0000  107.072   70.636  ?   ?    88.569   28.289 0.000000 28.28913 
1 1 1  -19  -21    7 o   61.344   18.117   49.857   29.671   30.045  113.640   51.307   30.737   78.008   33.222   62.214   18.456 15.79348 38.00451 
1 1 1  -19  -21    8 o  144.316   13.647  268.934   48.599  206.392  130.184  279.062   52.387  116.147   38.500  146.729   14.486 -30.58215 41.13519 
1 1 1  -19  -21    9 o  183.088   13.125  431.606   59.610  389.080  144.561  440.318   65.432  158.148   37.223  184.410   14.321 -26.26233 39.88324 
1 1 1  -19  -21   10 o   52.302   17.755   34.062   27.675   63.349  116.632   32.314   28.489   82.433   34.290   51.655   17.996 30.77845 38.72507 
1 1 1  -19  -21   11 o   60.418   19.757   48.139   34.325   0.0000   0.0000   48.139   34.325  ?   ?    60.418   19.757 0.000000 19.75670 
1 1 1  -19  -21   12 o   98.453   37.502  152.328  127.813  152.328  127.813   0.0000   0.0000   98.453   37.502  ?   ?  0.000000 37.50207 
1 1 1  -19  -21   13 o   88.980   26.236  118.782   62.271  134.766  134.340  114.408   70.277   93.547   37.596   86.926   28.262 6.621559 47.03385 
1 1 1  -19  -21   14 o  127.648   23.214  236.860   71.271  329.251  148.860  209.383   81.180  130.864   40.978  115.847   28.303 15.01730 49.80257 
1 1 1  -19  -21   15 o   86.342   28.208  118.087   69.980   0.0000   0.0000  118.087   69.980  ?   ?    86.342   28.208 0.000000 28.20829 
1 1 1  -19  -21   16 o   69.676   26.682   67.598   64.916   0.0000   0.0000   67.598   64.916  ?   ?    69.676   26.682 0.000000 26.68223 
1 1 1  -19  -21   17 f   61.009   25.371   37.940   63.827   0.0000   0.0000   37.940   63.827  ?   ?    61.009   25.371 0.000000 25.37106 
1 1 1  -19  -21   18 o   93.219   28.724  149.200   73.473   0.0000   0.0000  149.200   73.473  ?   ?    93.219   28.724 0.000000 28.72374 
1 1 1  -19  -20    1 o  114.724   15.240  170.064   42.580  199.954  112.318  165.047   46.015  119.336   35.250  112.567   16.891 6.769211 39.08764 
1 1 1  -19  -20    2 o  285.504   17.900  1047.83  126.971  976.067  198.904  1097.19  164.952  268.587   30.178  289.518   23.005 -20.93109 37.94673 
1 1 1  -19  -20    3 o  416.022   17.531  2216.85  182.125  2055.83  326.606  2289.52  219.403  386.122   34.227  420.565   20.891 -34.44373 40.09928 
1 1 1  -19  -20    4 o  231.434   12.955  680.688   74.570  694.058  150.964  676.373   85.763  227.213   27.144  230.010   15.014 -2.796936 31.01958 
1 1 1  -19  -20    5 o  298.265   13.204  1128.83   98.345  1267.28  194.314  1081.15  114.027  308.548   25.446  290.510   15.777 18.03793 29.94037 
1 1 1  -19  -20    6 o  178.800   12.885  407.745   57.144  416.017  134.106  405.910   63.165  171.673   32.472  177.953   14.336 -6.280685 35.49531 
1 1 1  -19  -20    7 o  160.019   24.493  346.393   94.757   0.0000   0.0000  346.393   94.757  ?   ?   160.019   24.493 0.000000 24.49259 
1 1 1  -19  -20    8 o  268.703   12.365  917.610   82.972  1274.17  179.631  820.905   93.549  308.948   23.458  252.752   14.887 56.19576 27.78366 
1 1 1  -19  -20    9 o  233.850   13.198  700.188   76.758  796.237  167.895  674.808   86.306  238.998   28.706  228.636   15.203 10.36195 32.48305 
1 1 1  -19  -20   10 o  202.342   14.575  529.158   73.151   0.0000   0.0000  529.158   73.151  ?   ?   202.342   14.575 0.000000 14.57474 
1 1 1  -19  -20   11 o  102.848   37.720  155.680  126.827  155.680  126.827   0.0000   0.0000  102.848   37.720  ?   ?  0.000000 37.71984 
1 1 1  -19  -20   12 o   89.690   18.743  110.102   40.626  240.031  126.727   95.219   42.889  121.510   37.770   82.668   20.795 38.84262 43.11633 
1 1 1  -19  -20   13 o  145.564   13.435  276.135   48.285  270.973  136.630  276.872   51.616  125.984   39.228  145.307   14.415 -19.32310 41.79237 
1 1 1  -19  -20   14 o  125.392   13.972  207.074   43.006  161.130  138.811  211.952   45.232   99.588   38.779  126.593   14.574 -27.00587 41.42720 
1 1 1  -19  -20   15 o  181.092   20.279  455.536   90.131  394.447  161.981  482.933  108.475  143.833   42.288  182.579   24.403 -38.74632 48.82362 
1 1 1  -19  -20   16 o   43.166   20.378 -48.1402   57.483   0.0000   0.0000 -48.1402   57.483  ?   ?    43.166   20.378 0.000000 20.37776 
1 1 1  -19  -20   17 f   67.733   26.520   59.335   65.193   0.0000   0.0000   59.335   65.193  ?   ?    67.733   26.520 0.000000 26.51988 
1 1 1  -19  -20   18 o   59.549   25.043   31.232   63.233   0.0000   0.0000   31.232   63.233  ?   ?    59.549   25.043 0.000000 25.04251 
1 1 1  -19  -20   19 f   65.651   26.497   55.308   67.041   0.0000   0.0000   55.308   67.041  ?   ?    65.651   26.497 0.000000 26.49740 
1 1 1  -19  -19    1 o  108.049   14.738  150.647   38.729  257.908  105.973  134.112   41.607  136.388   31.715  101.281   17.057 35.10784 36.01075 
1 1 1  -19  -19    2 o  184.362   13.216  432.014   60.441  445.720  130.216  428.250   68.237  181.126   29.828  183.074   15.060 -1.947464 33.41390 
1 1 1  -19  -19    3 o  333.159   18.581  1426.65  153.970  1425.48  231.598  1427.58  206.115  326.709   28.677  329.339   25.254 -2.630127 38.21220 
1 1 1  -19  -19    4 o  202.969   12.475  522.644   62.922  477.674  131.998  535.868   71.577  187.598   29.121  205.096   14.060 -17.49852 32.33751 
1 1 1  -19  -19    5 o  186.373   12.484  441.223   57.766  574.128  130.486  408.826   64.423  207.466   25.739  178.817   14.553 28.64873 29.56876 
1 1 1  -19  -19    6 o   93.595   14.849  114.065   33.546  207.482  106.546  103.786   35.343  120.914   33.913   88.769   16.553 32.14494 37.73685 
1 1 1  -19  -19    7 o   86.299   16.596   98.373   34.467   39.453  106.541  105.261   36.426   79.291   32.860   89.247   16.965 -9.955330 36.98094 
1 1 1  -19  -19    8 o  170.513   24.056  390.192   99.585   0.0000   0.0000  390.192   99.585  ?   ?   170.513   24.056 0.000000 24.05588 
1 1 1  -19  -19    9 o  178.151   13.630  406.532   60.177  256.948  139.843  440.525   66.665  130.634   39.506  185.177   14.533 -54.54323 42.09460 
1 1 1  -19  -19   10 o  207.908   12.600  551.944   65.108  747.565  152.981  508.674   71.949  233.729   26.689  198.808   14.594 34.92136 30.41871 
1 1 1  -19  -19   11 o  176.759   13.263  401.372   58.114  542.662  143.108  373.472   63.594  195.329   30.322  169.742   15.163 25.58765 33.90194 
1 1 1  -19  -19   12 o  170.965   13.090  376.306   55.460  400.287  140.468  371.877   60.364  162.143   35.662  169.416   14.405 -7.272781 38.46101 
1 1 1  -19  -19   13 o   73.476   19.457   74.218   36.265  137.749  121.647   68.021   37.993   98.038   36.756   70.450   20.414 27.58778 42.04429 
1 1 1  -19  -19   14 o   97.316   15.949  126.637   37.416   29.991  128.265  135.626   39.117   78.427   34.341  100.724   16.094 -22.29659 37.92500 
1 1 1  -19  -19   15 o  414.607   15.046  2249.70  155.781  2920.16  307.612  2018.44  180.661  448.135   27.623  387.971   18.647 60.16489 33.32760 
1 1 1  -19  -19   16 o  131.418   13.828  227.617   44.700  334.121  147.313  216.816   46.912  135.143   40.475  127.649   15.003 7.493935 43.16666 
1 1 1  -19  -19   17 o  210.943   25.214  654.210  130.185   0.0000   0.0000  654.210  130.185  ?   ?   210.943   25.214 0.000000 25.21383 
1 1 1  -19  -19   18 o  132.211   27.784  273.102   88.816   0.0000   0.0000  273.102   88.816  ?   ?   132.211   27.784 0.000000 27.78382 
1 1 1  -19  -19   19 o   79.990   28.640  101.118   72.544   0.0000   0.0000  101.118   72.544  ?   ?    79.990   28.640 0.000000 28.63970 
1 1 1  -19  -19   20 o   77.831   27.913   96.687   68.935   0.0000   0.0000   96.687   68.935  ?   ?    77.831   27.913 0.000000 27.91269 
1 1 1  -19  -18    1 o  119.990   14.174  184.628   41.650  305.523  104.445  161.767   45.417  150.064   28.920  111.591   16.821 38.47251 33.45603 
1 1 1  -19  -18    2 o  318.664   14.625  1286.71  116.377  1123.21  215.062  1354.41  138.389  289.656   30.175  325.658   17.077 -36.00110 34.67228 
1 1 1  -19  -18    3 o  253.300   15.886  818.544   99.973  919.706  161.424  755.599  127.332  264.699   24.707  241.254   21.356 23.44553 32.65740 
1 1 1  -19  -18    4 o   90.567   17.905  108.275   39.060  100.562   94.611  109.860   42.886   91.268   32.704   90.902   19.479 0.3663406 38.06507 
1 1 1  -19  -18    5 o  105.232   14.806  143.177   37.832  105.706  101.220  149.262   40.789   93.539   33.790  107.270   15.691 -13.73063 37.25505 
1 1 1  -19  -18    6 o  279.489   13.688  989.842   95.536  960.156  184.335  1000.74  111.711  267.932   27.963  279.825   16.054 -11.89273 32.24342 
1 1 1  -19  -18    7 o  179.831   13.083  411.620   58.350  387.504  131.572  417.524   65.102  166.559   32.801  180.721   14.549 -14.16132 35.88246 
1 1 1  -19  -18    8 f  189.813   12.915  458.516   60.854  472.119  136.995  455.172   67.924  184.999   30.732  188.646   14.530 -3.646469 33.99426 
1 1 1  -19  -18    9 o  290.174   25.551  1123.47  183.255   0.0000   0.0000  1123.47  183.255  ?   ?   290.174   25.551 0.000000 25.55058 
1 1 1  -19  -18   10 o  135.759   17.077  240.395   56.613  197.709  123.812  251.679   63.658  116.883   37.466  138.305   18.928 -21.42123 41.97581 
1 1 1  -19  -18   11 o  104.958   15.150  143.789   38.559  177.419  117.834  139.756   40.805  110.897   36.622  103.076   16.403 7.821495 40.12740 
1 1 1  -19  -18   12 o  142.536   14.331  262.661   50.320  167.135  127.499  280.285   54.765  107.800   38.035  147.000   15.135 -39.19978 40.93577 
1 1 1  -19  -18   13 o   86.686   16.972  100.658   35.424  191.703  121.946   92.267   37.021  112.476   37.261   82.506   18.433 29.97012 41.57098 
1 1 1  -19  -18   14 o  212.060   15.951  587.078   83.849  832.899  164.750  501.144   97.409  242.923   27.651  193.113   20.513 49.81023 34.42933 
1 1 1  -19  -18   15 o  340.566   14.693  1504.31  124.954  1905.96  253.919  1375.96  143.537  365.099   28.065  322.409   17.899 42.68988 33.28703 
1 1 1  -19  -18   16 o  138.107   13.796  249.493   46.943  274.103  147.488  246.719   49.518  124.792   40.960  136.909   14.715 -12.11710 43.52312 
1 1 1  -19  -18   17 o  241.478   13.825  762.116   83.020  859.941  191.241  739.400   92.156  232.979   33.862  236.321   15.705 -3.342026 37.32720 
1 1 1  -19  -18   18 o  154.355   26.872  357.356   99.818   0.0000   0.0000  357.356   99.818  ?   ?   154.355   26.872 0.000000 26.87240 
1 1 1  -19  -18   19 o  110.977   29.252  197.732   82.214   0.0000   0.0000  197.732   82.214  ?   ?   110.977   29.252 0.000000 29.25236 
1 1 1  -19  -18   20 o  106.891   29.746  188.813   82.309   0.0000   0.0000  188.813   82.309  ?   ?   106.891   29.746 0.000000 29.74604 
1 1 1  -19  -18   21 o  232.492   27.109  845.183  154.431   0.0000   0.0000  845.183  154.431  ?   ?   232.492   27.109 0.000000 27.10865 
1 1 1  -19  -17    1 o  299.366   13.884  1132.72  103.796  1219.31  193.945  1097.97  122.874  305.208   25.685  293.446   16.838 11.76166 30.71280 
1 1 1  -19  -17    2 o  299.440   13.999  1133.84  104.682  1186.16  192.689  1111.93  124.686  300.748   25.910  295.197   16.986 5.551453 30.98132 
1 1 1  -19  -17    3 o  100.198   15.040  129.929   36.471  115.853   93.291  132.469   39.624   95.522   32.598  100.905   16.279 -5.382668 36.43659 
1 1 1  -19  -17    4 o  277.569   16.664  983.619  114.971  1012.23  177.562  962.964  150.868  277.349   25.938  272.240   22.390 5.109070 34.26568 
1 1 1  -19  -17    5 f   57.859   17.470   43.092   27.361  120.660   88.992   34.994   28.754   96.183   31.829   53.889   18.099 42.29409 36.61501 
1 1 1  -19  -17    6 o  123.104   13.730  194.098   41.490  201.803  105.736  192.696   45.108  120.264   33.802  122.339   15.085 -2.074371 37.01537 
1 1 1  -19  -17    7 o  494.227   19.230  3135.69  237.327  3218.59  423.062  3097.63  286.685  484.437   35.212  487.907   23.530 -3.470032 42.35052 
1 1 1  -19  -17    8 o  527.828   24.613  3646.97  324.425   0.0000   0.0000  3646.97  324.425  ?   ?   527.828   24.613 0.000000 24.61333 
1 1 1  -19  -17    9 o  348.460   30.344  1643.41  261.411  1643.41  261.411   0.0000   0.0000  348.460   30.344  ?   ?  0.000000 30.34433 
1 1 1  -19  -17   10 o  214.901   24.052  613.071  126.859   0.0000   0.0000  613.071  126.859  ?   ?   214.901   24.052 0.000000 24.05165 
1 1 1  -19  -17   11 o   92.777   15.449  112.720   34.534  139.324  112.237  109.938   36.294  102.055   35.710   91.314   16.525 10.74162 39.34842 
1 1 1  -19  -17   12 o  181.193   12.903  419.291   58.001  434.404  138.000  416.048   63.920  174.590   32.858  180.018   14.338 -5.427475 35.85040 
1 1 1  -19  -17   13 o  119.961   15.029  187.190   44.033   64.321  120.566  206.101   47.300   85.907   35.211  125.845   15.371 -39.93810 38.42006 
1 1 1  -19  -17   14 o  276.422   13.669  978.169   94.355  1233.15  196.555  901.816  107.559  299.450   26.561  263.526   16.426 35.92413 31.22972 
1 1 1  -19  -17   15 o  129.287   16.763  220.729   52.847  256.087  130.075  213.739   57.835  127.339   38.010  126.280   18.923 1.059105 42.46004 
1 1 1  -19  -17   16 o   90.251   16.297  109.162   35.378  175.430  130.581  103.913   36.752  106.340   38.384   87.619   17.411 18.72169 42.14812 
1 1 1  -19  -17   17 o  203.219   13.416  535.814   67.702  655.062  168.950  513.002   73.894  205.905   34.048  197.861   15.069 8.043854 37.23344 
1 1 1  -19  -17   18 o  194.525   12.772  491.355   61.699  637.750  163.696  467.115   66.611  201.167   33.784  188.773   14.235 12.39333 36.66027 
1 1 1  -19  -17   19 o   81.558   28.926   98.362   73.836   0.0000   0.0000   98.362   73.836  ?   ?    81.558   28.926 0.000000 28.92632 
1 1 1  -19  -17   20 o   97.328   30.033  153.221   80.292   0.0000   0.0000  153.221   80.292  ?   ?    97.328   30.033 0.000000 30.03328 
1 1 1  -19  -17   21 o   92.619   29.815  140.813   78.344   0.0000   0.0000  140.813   78.344  ?   ?    92.619   29.815 0.000000 29.81486 
1 1 1  -19  -17   22 o  124.910   29.541  256.544   90.701   0.0000   0.0000  256.544   90.701  ?   ?   124.910   29.541 0.000000 29.54145 
1 1 1  -19  -16    1 o  127.705   14.439  208.712   45.237  190.673  100.830  213.259   50.617  117.900   32.963  128.734   16.097 -10.83363 36.68396 
1 1 1  -19  -16    2 o  269.986   13.471  920.303   90.825  826.830  167.406  959.294  108.121  250.420   27.208  274.634   15.833 -24.21359 31.47918 
1 1 1  -19  -16    3 o  226.210   13.037  647.827   73.333  617.377  140.752  659.172   85.916  216.185   26.636  227.632   15.202 -11.44643 30.66841 
1 1 1  -19  -16    4 f  348.290   15.485  1538.06  134.682  1377.69  242.624  1609.48  161.921  321.417   30.598  354.758   18.340 -33.34085 35.67318 
1 1 1  -19  -16    5 o  118.270   15.457  180.266   44.558  273.306   95.627  154.464   50.359  142.158   27.934  108.380   19.315 33.77806 33.96143 
1 1 1  -19  -16    6 o  124.145   13.638  197.128   41.583  212.089  102.144  194.156   45.526  123.661   32.610  122.853   15.161 0.8077316 35.96252 
1 1 1  -19  -16    7 o  215.134   12.085  585.625   64.661  800.326  138.203  525.455   73.163  247.838   22.578  203.141   14.518 44.69701 26.84318 
1 1 1  -19  -16    8 o  420.289   22.051  2289.76  230.621  2251.57  331.392  2325.63  321.145  407.835   32.817  416.118   31.131 -8.283630 45.23371 
1 1 1  -19  -16    9 o  163.404   13.440  340.190   54.356  190.538  119.478  379.249   61.039  116.984   36.725  172.366   14.310 -55.38206 39.41472 
1 1 1  -19  -16   10 o  401.100   16.264  2051.94  162.908  2158.79  297.651  2006.24  194.649  400.563   29.974  394.143   19.840 6.420044 35.94526 
1 1 1  -19  -16   11 o  105.332   28.916  153.511   78.374   0.0000   0.0000  153.511   78.374  ?   ?   105.332   28.916 0.000000 28.91632 
1 1 1  -19  -16   12 o  287.931   13.566  1053.10   97.540  1141.35  194.740  1023.55  112.696  291.451   27.066  282.485   16.042 8.966339 31.46294 
1 1 1  -19  -16   13 o  187.745   13.158  450.074   61.302  434.877  142.881  453.503   67.865  174.292   34.049  187.995   14.570 -13.70331 37.03554 
1 1 1  -19  -16   14 o  242.021   13.485  748.924   81.174  934.215  174.428  697.701   91.711  261.592   27.095  232.514   15.890 29.07796 31.41038 
1 1 1  -19  -16   15 o  130.563   13.547  220.079   43.527  255.283  126.041  215.313   46.380  129.435   37.089  128.761   14.687 0.6742859 39.89088 
1 1 1  -19  -16   16 o  168.648   13.850  367.351   57.814  339.567  142.605  372.815   63.244  147.013   38.418  169.376   15.111 -22.36366 41.28328 
1 1 1  -19  -16   17 o  134.380   14.710  236.024   48.555   82.822  134.490  258.987   52.067   89.024   36.909  140.686   15.054 -51.66270 39.86071 
1 1 1  -19  -16   18 o  291.738   13.847  1101.20  100.879  1438.48  218.124  1009.42  113.778  316.242   27.907  276.853   16.533 39.38870 32.43648 
1 1 1  -19  -16   19 f  113.233   14.745  169.916   40.704  251.507  142.059  162.618   42.485  119.273   40.228  110.236   15.892 9.036797 43.25333 
1 1 1  -19  -16   20 o  273.657   27.428  1109.27  184.910   0.0000   0.0000  1109.27  184.910  ?   ?   273.657   27.428 0.000000 27.42766 
1 1 1  -19  -16   21 o  122.449   29.481  237.162   89.064   0.0000   0.0000  237.162   89.064  ?   ?   122.449   29.481 0.000000 29.48075 
1 1 1  -19  -16   22 o   73.067   28.491   72.603   75.009   0.0000   0.0000   72.603   75.009  ?   ?    73.067   28.491 0.000000 28.49114 
1 1 1  -19  -16   23 o   67.198   27.283   54.193   71.528   0.0000   0.0000   54.193   71.528  ?   ?    67.198   27.283 0.000000 27.28267 
1 1 1  -19  -15    1 f  115.363   13.756  170.281   38.847  204.882   93.639  163.088   42.695  122.504   30.677  112.471   15.623 10.03313 34.42664 
1 1 1  -19  -15    2 o  307.548   14.150  1194.87  108.670  1102.83  196.868  1235.21  130.323  289.684   27.546  311.522   16.815 -21.83765 32.27263 
1 1 1  -19  -15    3 o  210.928   12.361  562.449   64.825  568.441  126.317  560.307   75.530  208.283   24.772  210.042   14.489 -1.759369 28.69785 
1 1 1  -19  -15    4 o  243.925   13.294  753.080   80.672  782.691  151.961  741.459   95.194  244.508   25.252  241.336   15.884 3.172455 29.83217 
1 1 1  -19  -15    5 o  243.493   13.229  750.511   80.134  698.946  151.452  770.560   94.436  230.119   26.861  246.131   15.443 -16.01241 30.98370 
1 1 1  -19  -15    6 o   36.634   15.499   1.4242   24.456   87.104   83.444  -6.6271   25.579   86.016   30.725   34.679   15.256 51.33756 34.30394 
1 1 1  -19  -15    7 o  308.067   14.180  1200.76  109.084  1198.44  203.117  1201.70  129.315  301.422   27.280  306.888   16.940 -5.466492 32.11187 
1 1 1  -19  -15    8 o  201.907   12.922  516.851   64.811  517.171  133.070  516.752   74.207  196.733   27.866  201.397   14.860 -4.664078 31.58021 
1 1 1  -19  -15    9 o  207.942   12.682  548.010   65.536  663.218  137.403  514.083   74.565  224.373   24.945  200.786   14.979 23.58676 29.09715 
1 1 1  -19  -15   10 o  147.804   13.635  278.775   49.759  210.061  114.240  294.864   55.278  122.353   35.383  151.767   14.773 -29.41349 38.34295 
1 1 1  -19  -15   11 o  165.747   12.635  349.247   51.901  445.598  122.471  328.155   57.301  181.748   27.874  160.183   14.482 21.56480 31.41131 
1 1 1  -19  -15   12 o  249.301   24.544  821.758  150.815   0.0000   0.0000  821.758  150.815  ?   ?   249.301   24.544 0.000000 24.54354 
1 1 1  -19  -15   13 o  168.733   13.516  363.581   56.474  357.103  132.343  365.024   62.445  158.317   34.454  168.644   14.984 -10.32710 37.57110 
1 1 1  -19  -15   14 o  185.389   12.241  437.372   56.353  613.595  139.117  402.780   61.636  212.882   26.761  177.346   14.032 35.53580 30.21645 
1 1 1  -19  -15   15 o  284.484   14.164  1033.22  100.621  942.665  201.459  1063.32  116.145  259.214   31.789  287.180   16.262 -27.96579 35.70716 
1 1 1  -19  -15   16 o  220.935   17.216  635.595   94.236  560.045  166.370  671.284  114.348  195.106   35.453  225.156   20.564 -30.05045 40.98550 
1 1 1  -19  -15   17 o  280.381   13.913  1008.66   97.413  1096.87  200.684  981.465  111.420  278.896   29.251  274.773   16.311 4.122467 33.49107 
1 1 1  -19  -15   18 o   95.416   15.754  120.950   36.227  108.249  126.367  122.087   37.815   92.788   36.736   95.639   16.425 -2.850334 40.24090 
1 1 1  -19  -15   19 o  197.626   13.139  505.144   64.471  684.736  165.342  472.942   70.013  213.896   31.933  190.287   14.852 23.60915 35.21761 
1 1 1  -19  -15   20 o  106.628   16.017  152.290   41.331  204.313  138.459  147.200   43.305  109.562   39.528  104.260   17.235 5.301064 43.12234 
1 1 1  -19  -15   21 o  223.064   26.125  725.758  142.768   0.0000   0.0000  725.758  142.768  ?   ?   223.064   26.125 0.000000 26.12503 
1 1 1  -19  -15   22 o  158.817   27.500  381.690  105.116   0.0000   0.0000  381.690  105.116  ?   ?   158.817   27.500 0.000000 27.50047 
1 1 1  -19  -15   23 o   52.100   23.862 -22.4866   70.001   0.0000   0.0000 -22.4866   70.001  ?   ?    52.100   23.862 0.000000 23.86183 
1 1 1  -19  -15   24 o   69.556   27.958   61.182   74.302   0.0000   0.0000   61.182   74.302  ?   ?    69.556   27.958 0.000000 27.95791 
1 1 1  -19  -14    1 o  380.973   28.893  1905.22  272.833   0.0000   0.0000  1905.22  272.833  ?   ?   380.973   28.893 0.000000 28.89328 
1 1 1  -19  -14    2 o  334.912   14.573  1417.22  121.882  1429.73  219.032  1411.61  146.691  330.858   26.739  332.869   17.711 -2.011169 32.07257 
1 1 1  -19  -14    3 f  156.173   12.378  309.070   47.877  409.345  101.632  280.471   54.276  176.866   23.600  148.230   14.863 28.63661 27.89027 
1 1 1  -19  -14    4 o   93.402   14.945  112.987   33.683   58.232   84.876  123.221   36.696   78.924   30.437   97.490   15.599 -18.56615 34.20159 
1 1 1  -19  -14    5 f  175.840   12.585  391.629   54.896  403.710  112.351  387.840   62.918  174.435   26.637  174.563   14.567 -0.1281433 30.35991 
1 1 1  -19  -14    6 o  295.952   16.168  1114.15  119.038   0.0000   0.0000  1114.15  119.038  ?   ?   295.952   16.168 0.000000 16.16816 
1 1 1  -19  -14    7 o  202.658   26.286  542.530  129.893  542.530  129.893   0.0000   0.0000  202.658   26.286  ?   ?  0.000000 26.28604 
1 1 1  -19  -14    8 o  199.262   12.364  502.500   61.217  526.552  125.012  494.913   70.212  199.751   25.655  197.288   14.350 2.462463 29.39521 
1 1 1  -19  -14    9 o  394.716   15.315  1975.69  150.957  2095.87  273.828  1923.22  180.935  398.859   27.663  387.990   18.675 10.86920 33.37646 
1 1 1  -19  -14   10 o  153.023   13.714  298.436   51.850  209.530  113.974  321.637   58.224  122.585   35.310  158.629   14.872 -36.04388 38.31449 
1 1 1  -19  -14   11 o  219.811   13.193  612.955   72.083  591.784  146.120  619.764   82.868  210.026   28.604  220.484   15.142 -10.45836 32.36506 
1 1 1  -19  -14   12 o  292.817   13.659  1085.77   99.874  1123.61  192.986  1071.93  116.720  291.068   26.854  289.698   16.199 1.369965 31.36138 
1 1 1  -19  -14   13 o  307.232   26.513  1253.52  201.422   0.0000   0.0000  1253.52  201.422  ?   ?   307.232   26.513 0.000000 26.51343 
1 1 1  -19  -14   14 o  102.673   15.646  137.317   38.848  174.536  113.959  132.424   41.323  111.813   35.955  100.404   17.094 11.40873 39.81143 
1 1 1  -19  -14   15 o  116.181   13.952  174.034   39.668  346.538  121.505  153.454   41.968  156.662   32.136  108.451   15.975 48.21084 35.88789 
1 1 1  -19  -14   16 o  115.578   15.219  173.699   42.857  154.819  122.324  176.340   45.758  105.899   37.267  116.164   16.216 -10.26556 40.64199 
1 1 1  -19  -14   17 o  252.749   16.208  826.444  101.757  1103.16  181.301  699.189  122.948  284.948   25.757  229.215   21.740 55.73355 33.70551 
1 1 1  -19  -14   18 o   63.239   18.307   53.529   30.569  240.043  124.228   41.507   31.539  124.869   37.117   57.232   18.949 67.63693 41.67412 
1 1 1  -19  -14   19 o  178.827   13.643  413.234   60.466  450.769  152.423  406.224   65.870  170.471   36.877  176.643   15.077 -6.172028 39.84053 
1 1 1  -19  -14   20 o   92.978   16.925  116.512   37.850 -21.0271  135.039  128.238   39.430   73.560   33.480   97.716   16.763 -24.15607 37.44163 
1 1 1  -19  -14   21 o  256.668   13.118  853.620   83.796  1134.84  197.132  791.600   92.576  277.926   28.823  245.648   15.166 32.27818 32.56931 
1 1 1  -19  -14   22 o   52.500   23.902 -22.7473   68.900   0.0000   0.0000 -22.7473   68.900  ?   ?    52.500   23.902 0.000000 23.90233 
1 1 1  -19  -14   23 o   71.071   28.319   60.330   75.542   0.0000   0.0000   60.330   75.542  ?   ?    71.071   28.319 0.000000 28.31942 
1 1 1  -19  -14   24 o  144.485   29.380  328.767  102.395   0.0000   0.0000  328.767  102.395  ?   ?   144.485   29.380 0.000000 29.38012 
1 1 1  -19  -13    1 o  201.860   23.572  530.253  116.582   0.0000   0.0000  530.253  116.582  ?   ?   201.860   23.572 0.000000 23.57152 
1 1 1  -19  -13    2 o  284.811   14.100  1023.73  100.283  803.792  181.259  1120.75  120.387  246.201   30.110  297.046   16.292 -50.84503 34.23456 
1 1 1  -19  -13    3 o  355.805   14.383  1598.64  127.791  1755.37  230.472  1529.07  153.558  367.790   25.247  346.509   17.806 21.28119 30.89444 
1 1 1  -19  -13    4 o  223.640   11.626  630.850   64.704  903.871  130.239  541.378   74.557  265.484   19.787  206.518   14.550 58.96619 24.56067 
1 1 1  -19  -13    5 o  167.769   12.953  356.833   53.847  373.507  117.227  352.374   60.621  166.864   29.196  166.339   14.747 0.5242767 32.70930 
1 1 1  -19  -13    6 o  331.626   18.979  1406.10  156.521  1315.90  223.503  1492.91  219.265  316.107   28.624  338.245   26.162 -22.13745 38.77922 
1 1 1  -19  -13    7 o  101.840   17.435  135.333   42.745   48.863   88.225  161.857   48.863   77.568   30.700  111.410   18.191 -33.84164 35.68503 
1 1 1  -19  -13    8 o  140.905   15.217  254.185   52.693  298.319  101.257  237.795   61.707  148.829   28.279  135.359   18.760 13.47017 33.93562 
1 1 1  -19  -13    9 o  212.466   12.094  570.599   63.901  666.789  130.955  540.538   73.208  226.104   23.539  206.272   14.301 19.83186 27.54222 
1 1 1  -19  -13   10 o  190.249   12.580  458.494   59.429  556.702  126.885  430.896   67.263  205.605   25.243  183.905   14.771 21.69937 29.24746 
1 1 1  -19  -13   11 o  346.019   14.729  1516.74  127.269  1617.34  234.874  1474.92  151.426  350.499   27.044  339.605   17.919 10.89392 32.44163 
1 1 1  -19  -13   12 o  104.905   14.540  141.973   37.066  192.010  102.351  134.420   39.765  117.683   33.320  101.633   16.213 16.04940 37.05518 
1 1 1  -19  -13   13 o  266.353   18.405  912.037  121.669  961.223  184.374  874.096  161.934  268.621   27.893  257.354   25.535 11.26746 37.81543 
1 1 1  -19  -13   14 o  236.050   15.792  712.466   92.552   0.0000   0.0000  712.466   92.552  ?   ?   236.050   15.792 0.000000 15.79217 
1 1 1  -19  -13   15 o  323.083   15.344  1329.81  123.792  1144.67  232.310  1403.23  146.293  288.309   32.854  330.309   17.802 -41.99979 37.36666 
1 1 1  -19  -13   16 o  198.386   13.843  502.676   68.149  341.934  147.819  546.065   76.798  152.158   38.787  206.414   15.002 -54.25610 41.58707 
1 1 1  -19  -13   17 o  213.743   13.210  583.183   70.163  669.998  157.805  561.793   78.332  220.261   29.426  209.072   15.105 11.18886 33.07640 
1 1 1  -19  -13   18 o   83.606   19.175   94.516   39.182   70.146  119.228   97.467   41.486   86.687   35.214   84.741   19.937 1.946838 40.46613 
1 1 1  -19  -13   19 o  212.301   13.103  578.068   69.126  669.776  161.797  557.591   76.455  216.628   30.774  207.722   14.837 8.906586 34.16411 
1 1 1  -19  -13   20 o  332.562   13.691  1421.45  113.697  1872.22  237.953  1288.09  129.427  367.480   26.100  314.135   16.557 53.34485 30.90891 
1 1 1  -19  -13   21 o  402.105   16.575  2118.03  166.433  2322.03  319.316  2041.94  195.018  394.530   32.706  390.162   20.084 4.367493 38.38017 
1 1 1  -19  -13   22 o  113.535   15.213  171.024   42.047  392.266  149.732  152.084   43.810  152.402   39.139  106.152   17.108 46.24937 42.71521 
1 1 1  -19  -13   23 o  232.334   26.552  787.233  151.283   0.0000   0.0000  787.233  151.283  ?   ?   232.334   26.552 0.000000 26.55204 
1 1 1  -19  -13   24 o  125.958   30.423  251.233   94.617   0.0000   0.0000  251.233   94.617  ?   ?   125.958   30.423 0.000000 30.42321 
1 1 1  -19  -13   25 o  190.687   27.518  552.405  127.243   0.0000   0.0000  552.405  127.243  ?   ?   190.687   27.518 0.000000 27.51808 
1 1 1  -19  -12    1 o  350.068   27.289  1597.24  236.668   0.0000   0.0000  1597.24  236.668  ?   ?   350.068   27.289 0.000000 27.28855 
1 1 1  -19  -12    2 o  409.589   30.286  2205.08  307.573   0.0000   0.0000  2205.08  307.573  ?   ?   409.589   30.286 0.000000 30.28591 
1 1 1  -19  -12    3 o  243.289   11.645  744.347   70.750  972.641  136.462  660.423   82.738  275.530   19.969  228.251   14.592 47.27911 24.73209 
1 1 1  -19  -12    4 o  144.178   12.793  263.836   45.583  272.949   97.164  261.264   51.616  142.569   28.290  143.109   14.650 -0.5397491 31.85818 
1 1 1  -19  -12    5 o  220.997   12.399  616.813   68.153  685.700  133.177  592.372   79.327  229.803   23.539  216.038   14.793 13.76491 27.80173 
1 1 1  -19  -12    6 o  224.721   12.673  638.127   70.826  679.824  136.971  622.908   82.748  228.428   24.389  221.475   15.051 6.952393 28.65936 
1 1 1  -19  -12    7 o  230.031   11.037  665.249   63.398  1057.93  132.048  547.616   72.273  287.751   18.474  207.815   14.009 79.93633 23.18476 
1 1 1  -19  -12    8 o   86.900   18.049   99.485   37.888   68.090   87.509  106.728   42.031   82.088   31.088   89.840   19.310 -7.751495 36.59647 
1 1 1  -19  -12    9 o  155.215   12.557  305.558   48.252  385.815  105.682  284.421   54.235  170.838   25.557  149.267   14.743 21.57098 29.50474 
1 1 1  -19  -12   10 o  246.096   12.629  765.525   77.350  851.786  151.039  734.860   90.055  255.737   23.929  240.478   15.072 15.25926 28.28026 
1 1 1  -19  -12   11 o  448.973   17.559  2566.11  196.865  2763.64  351.954  2476.17  237.492  455.815   31.106  438.836   21.672 16.97888 37.91137 
1 1 1  -19  -12   12 o  200.883   12.109  510.508   60.460  624.600  129.617  478.782   68.351  218.325   24.180  194.038   14.205 24.28702 28.04405 
1 1 1  -19  -12   13 o  103.488   15.162  138.559   38.021  115.539  104.151  142.098   40.839   96.872   34.355  104.590   16.157 -7.718521 37.96489 
1 1 1  -19  -12   14 o  159.242   26.773  340.667  102.688   0.0000   0.0000  340.667  102.688  ?   ?   159.242   26.773 0.000000 26.77337 
1 1 1  -19  -12   15 o  389.241   16.311  1930.97  158.545  1982.46  291.506  1909.34  188.932  383.671   30.682  384.793   19.728 -1.121826 36.47742 
1 1 1  -19  -12   16 o  196.374   13.806  491.570   67.271  349.430  143.937  531.295   76.093  155.525   37.499  203.803   15.058 -48.27786 40.40908 
1 1 1  -19  -12   17 o  152.009   13.739  295.885   51.588  393.428  130.811  277.920   56.138  167.221   32.496  146.768   15.554 20.45404 36.02708 
1 1 1  -19  -12   18 o   56.642   18.250   40.667   29.348   20.277  110.622   42.211   30.439   76.420   32.668   57.666   18.586 18.75389 37.58500 
1 1 1  -19  -12   19 o  244.432   16.088  772.166   97.650  1048.45  178.123  653.451  116.759  277.820   25.976  221.932   21.331 55.88805 33.61179 
1 1 1  -19  -12   20 o  118.145   14.987  182.189   43.222  167.792  131.341  183.938   45.771  107.384   38.527  118.411   15.879 -11.02764 41.67088 
1 1 1  -19  -12   21 o  225.325   13.325  653.527   74.643  880.061  176.451  604.154   82.377  248.732   28.950  215.532   15.407 33.19995 32.79417 
1 1 1  -19  -12   22 o  112.152   15.074  165.919   41.147  341.360  142.362  149.927   42.982  144.357   38.701  105.838   16.826 38.51917 42.20018 
1 1 1  -19  -12   23 f  152.370   28.765  344.459  105.439   0.0000   0.0000  344.459  105.439  ?   ?   152.370   28.765 0.000000 28.76539 
1 1 1  -19  -12   24 o  193.806   26.806  550.066  126.261   0.0000   0.0000  550.066  126.261  ?   ?   193.806   26.806 0.000000 26.80626 
1 1 1  -19  -12   25 o  181.517   27.788  495.062  121.947   0.0000   0.0000  495.062  121.947  ?   ?   181.517   27.788 0.000000 27.78754 
1 1 1  -19  -12   26 o   92.351   31.548  138.748   87.380   0.0000   0.0000  138.748   87.380  ?   ?    92.351   31.548 0.000000 31.54805 
1 1 1  -19  -11    1 o  323.974   12.193  1320.23   98.641  1384.58  140.108  1256.98  138.900  330.197   17.050  314.345   17.767 15.85168 24.62486 
1 1 1  -19  -11    2 o  234.452   23.487  711.832  135.658   0.0000   0.0000  711.832  135.658  ?   ?   234.452   23.487 0.000000 23.48654 
1 1 1  -19  -11    3 o  264.103   13.818  881.745   90.815  812.255  167.401  910.726  108.106  249.001   27.374  267.799   16.242 -18.79767 31.82984 
1 1 1  -19  -11    4 o  186.261   15.344  441.326   70.734   0.0000   0.0000  441.326   70.734  ?   ?   186.261   15.344 0.000000 15.34397 
1 1 1  -19  -11    5 o  592.824   41.851  4810.30  615.582  4810.30  615.582   0.0000   0.0000  592.824   41.851  ?   ?  0.000000 41.85126 
1 1 1  -19  -11    6 o  232.192   13.048  681.375   75.347  699.719  142.314  674.231   88.816  231.677   24.995  230.392   15.528 1.285614 29.42525 
1 1 1  -19  -11    7 o  305.765   13.703  1179.28  104.632  1297.56  191.821  1129.19  124.840  316.394   24.468  297.977   16.846 18.41684 29.70689 
1 1 1  -19  -11    8 o  198.176   12.683  496.719   62.435  474.774  122.889  504.355   72.488  189.651   26.686  199.272   14.670 -9.621002 30.45270 
1 1 1  -19  -11    9 o   96.249   16.715  120.733   38.718  227.179   90.154   96.661   42.872  129.576   28.625   85.321   20.398 44.25441 35.14977 
1 1 1  -19  -11   10 o  223.529   12.829  631.864   71.309  709.325  139.400  604.411   82.988  233.238   24.290  218.007   15.342 15.23048 28.72946 
1 1 1  -19  -11   11 o  386.882   15.233  1894.95  147.168  2157.84  267.192  1780.46  176.324  406.490   26.467  373.146   18.985 33.34430 32.57181 
1 1 1  -19  -11   12 o  235.344   12.640  700.382   74.014  843.694  148.684  653.171   85.339  254.569   23.660  226.617   15.168 27.95226 28.10396 
1 1 1  -19  -11   13 o  315.242   14.348  1257.31  112.946  1393.71  211.062  1202.57  133.701  326.077   26.140  306.849   17.521 19.22836 31.46895 
1 1 1  -19  -11   14 o  159.134   13.392  322.195   52.722  345.568  120.381  316.648   58.646  158.792   31.471  157.351   15.111 1.441498 34.91054 
1 1 1  -19  -11   15 f   91.945   30.371  109.586   81.040   0.0000   0.0000  109.586   81.040  ?   ?    91.945   30.371 0.000000 30.37112 
1 1 1  -19  -11   16 o  280.203   13.434  993.929   94.002  1192.47  188.002  927.746  108.544  300.838   25.259  269.418   16.209 31.41983 30.01245 
1 1 1  -19  -11   17 o  177.374   12.215  399.562   53.773  720.484  137.232  341.349   58.447  233.654   23.854  163.303   14.483 70.35110 27.90646 
1 1 1  -19  -11   18 o  127.924   14.310  210.665   44.929  325.231  125.989  193.972   48.091  150.844   34.231  122.177   16.159 28.66695 37.85333 
1 1 1  -19  -11   19 o  206.722   13.104  545.303   67.298  552.394  153.218  543.607   74.910  198.133   32.063  205.844   14.669 -7.711075 35.25893 
1 1 1  -19  -11   20 o  197.747   16.067  506.330   78.655  613.964  152.684  467.448   91.768  209.259   30.084  188.216   19.823 21.04298 36.02725 
1 1 1  -19  -11   21 o  184.749   13.208  438.374   60.534  511.580  151.474  424.461   66.036  186.730   33.725  181.170   14.724 5.559845 36.79927 
1 1 1  -19  -11   22 o   89.805   17.521  108.676   37.882  154.514  132.998  104.629   39.519  103.128   38.478   87.718   18.617 15.41025 42.74508 
1 1 1  -19  -11   23 o  177.214   13.399  406.737   58.859  550.594  160.086  384.250   63.292  188.684   35.273  171.479   14.929 17.20528 38.30194 
1 1 1  -19  -11   24 o   78.695   29.901   80.157   81.125   0.0000   0.0000   80.157   81.125  ?   ?    78.695   29.901 0.000000 29.90098 
1 1 1  -19  -11   25 o  145.091   30.003  322.418  105.118   0.0000   0.0000  322.418  105.118  ?   ?   145.091   30.003 0.000000 30.00301 
1 1 1  -19  -11   26 o  118.684   31.815  227.647   96.215   0.0000   0.0000  227.647   96.215  ?   ?   118.684   31.815 0.000000 31.81501 
1 1 1  -19  -11   27 o   60.137   26.599   6.4274   78.763   0.0000   0.0000   6.4274   78.763  ?   ?    60.137   26.599 0.000000 26.59869 
1 1 1  -19  -10    1 o  567.026   18.086  4077.94  256.092  3963.00  361.910  4193.19  362.428  554.295   26.146  570.657   25.433 -16.36224 36.47541 
1 1 1  -19  -10    2 o  240.398   13.891  730.744   83.036  572.372  108.414  955.486  129.149  210.912   20.858  273.596   19.021 -62.68398 28.22845 
1 1 1  -19  -10    3 o  171.199   23.757  382.675   98.826   0.0000   0.0000  382.675   98.826  ?   ?   171.199   23.757 0.000000 23.75681 
1 1 1  -19  -10    4 o  256.723   17.029  838.399  108.550  873.445  154.241  804.007  152.796  259.724   24.054  248.773   24.931 10.95088 34.64359 
1 1 1  -19  -10    5 o  509.952   18.956  3306.51  241.392  3579.81  424.358  3175.78  293.504  520.475   32.818  497.291   23.635 23.18335 40.44287 
1 1 1  -19  -10    6 f  357.779   14.963  1616.81  133.685  1765.62  239.537  1549.50  161.109  368.719   26.185  348.707   18.569 20.01215 32.10091 
1 1 1  -19  -10    7 o  437.175   16.761  2421.65  182.986  2639.19  324.675  2320.38  221.519  449.025   29.112  426.257   20.811 22.76727 35.78558 
1 1 1  -19  -10    8 o  408.360   16.708  2113.25  170.379  2123.41  303.070  2108.56  206.016  401.559   30.450  406.485   20.296 -4.926819 36.59404 
1 1 1  -19  -10    9 o  139.481   13.002  247.221   44.764  279.380   99.243  239.008   50.156  144.141   28.581  136.742   14.931 7.398636 32.24630 
1 1 1  -19  -10   10 o  233.953   15.255  695.106   88.637  817.047  144.358  621.314  112.298  251.053   23.292  219.547   20.728 31.50560 31.17950 
1 1 1  -19  -10   11 o   89.757   16.064  105.037   34.684  177.433   92.468   93.184   37.416  114.138   31.440   84.008   18.349 30.13011 36.40274 
1 1 1  -19  -10   12 o  297.530   13.723  1117.61  101.963  1216.64  189.900  1077.49  120.863  305.599   25.106  290.915   16.707 14.68372 30.15697 
1 1 1  -19  -10   13 o  541.617   20.231  3754.51  273.633  3906.01  483.280  3683.02  331.971  537.206   36.237  533.062   24.939 4.144043 43.98925 
1 1 1  -19  -10   14 o  273.630   12.943  944.818   88.441  1125.48  173.408  881.302  102.819  294.121   23.814  263.170   15.717 30.95056 28.53322 
1 1 1  -19  -10   15 o  100.927   15.761  132.208   38.423  121.328  106.403  133.839   41.204   98.772   34.757  101.295   16.883 -2.523361 38.64082 
1 1 1  -19  -10   16 o  198.532   25.382  521.609  122.954   0.0000   0.0000  521.609  122.954  ?   ?   198.532   25.382 0.000000 25.38158 
1 1 1  -19  -10   17 o  174.925   13.384  389.445   58.019  360.864  131.970  396.293   64.597  160.576   33.972  176.090   14.828 -15.51407 37.06682 
1 1 1  -19  -10   18 o  145.148   15.169  270.852   54.169   66.195  131.557  312.632   59.441   90.673   36.929  155.962   15.466 -65.28909 40.03672 
1 1 1  -19  -10   19 o  225.879   12.816  648.833   71.991  974.353  161.445  568.042   80.429  271.173   24.092  210.438   15.412 60.73564 28.60024 
1 1 1  -19  -10   20 o  183.633   13.644  431.563   62.120  362.970  146.411  446.622   68.600  156.330   37.898  186.408   14.861 -30.07785 40.70730 
1 1 1  -19  -10   21 o  143.057   16.521  267.042   57.935  341.129  140.397  251.837   63.603  150.391   37.510  137.947   18.965 12.44359 42.03187 
1 1 1  -19  -10   22 o   81.517   17.679   89.571   34.951  149.587  124.517   84.438   36.415  102.867   37.428   78.857   18.764 24.00979 41.86819 
1 1 1  -19  -10   23 o   92.402   16.681  114.235   37.075  235.872  135.779  104.435   38.540  121.371   39.269   87.761   18.183 33.61050 43.27496 
1 1 1  -19  -10   24 o   55.752   18.351   40.106   29.597  109.402  140.117   36.869   30.280   93.436   38.089   54.295   18.571 39.14094 42.37537 
1 1 1  -19  -10   25 o  106.881   31.639  177.637   90.402   0.0000   0.0000  177.637   90.402  ?   ?   106.881   31.639 0.000000 31.63874 
1 1 1  -19  -10   26 o   80.783   30.644   89.494   85.116   0.0000   0.0000   89.494   85.116  ?   ?    80.783   30.644 0.000000 30.64362 
1 1 1  -19  -10   27 o   81.708   31.000   95.454   87.113   0.0000   0.0000   95.454   87.113  ?   ?    81.708   31.000 0.000000 30.99950 
1 1 1  -19  -10   28 o  137.118   32.021  306.576  107.658   0.0000   0.0000  306.576  107.658  ?   ?   137.118   32.021 0.000000 32.02141 
1 1 1  -19   -9    1 o  236.546   10.795  702.468   63.766  693.516   89.964  711.507   90.394  233.865   15.492  236.922   15.361 -3.057465 21.81718 
1 1 1  -19   -9    2 o  199.577   10.809  501.528   53.671  533.105   76.047  470.191   75.758  205.016   14.957  192.265   15.922 12.75017 21.84575 
1 1 1  -19   -9    3 f  237.134   15.445  713.075   90.959  750.057  121.474  665.874  137.235  241.909   20.296  226.421   24.671 15.48776 31.94648 
1 1 1  -19   -9    4 o   79.166   12.830   80.852   24.496  116.791   34.045   42.272   35.274   95.116   14.816   59.489   20.046 35.62626 24.92668 
1 1 1  -19   -9    5 o  109.078   13.748  152.249   36.617  170.602   81.026  147.539   41.048  112.500   28.738  106.925   15.853 5.575119 32.82045 
1 1 1  -19   -9    6 o  348.968   14.499  1536.58  126.346  1723.24  226.985  1452.78  152.085  365.011   25.054  337.879   18.091 27.13193 30.90258 
1 1 1  -19   -9    7 o  262.577   11.919  867.104   78.153  1114.09  147.864  771.361   92.063  295.008   20.193  246.696   15.016 48.31152 25.16392 
1 1 1  -19   -9    8 o  213.651   12.561  576.539   66.724  624.239  128.703  559.006   78.028  219.194   23.900  209.857   14.988 9.337296 28.21124 
1 1 1  -19   -9    9 o  419.001   15.891  2221.23  166.267  2530.00  296.730  2079.92  200.741  440.965   27.078  403.949   19.900 37.01599 33.60400 
1 1 1  -19   -9   10 o  217.473   15.492  601.041   83.583  600.672  134.160  601.275  106.854  214.240   25.583  216.263   20.013 -2.023361 32.48058 
1 1 1  -19   -9   11 o  103.495   15.538  138.392   38.916  222.574   95.064  121.445   42.654  127.928   30.236   96.195   18.427 31.73336 35.40867 
1 1 1  -19   -9   12 o  378.835   15.039  1814.85  142.273  1993.55  257.917  1736.69  170.573  391.053   26.569  368.928   18.574 22.12494 32.41792 
1 1 1  -19   -9   13 o  102.677   15.390  136.269   38.245  202.428   97.079  124.115   41.610  121.589   31.661   97.367   17.768 24.22225 36.30579 
1 1 1  -19   -9   14 o  241.292   13.400  737.022   80.427  763.075  157.354  727.809   93.573  240.849   26.607  239.152   15.757 1.696274 30.92263 
1 1 1  -19   -9   15 o   88.900   16.597  103.477   35.490  295.103  105.597   79.076   37.682  147.397   29.715   77.191   19.533 70.20639 35.55970 
1 1 1  -19   -9   16 o  343.967   15.475  1500.60  132.921  1438.70  245.697  1526.21  158.046  328.507   30.292  345.328   18.394 -16.82104 35.43884 
1 1 1  -19   -9   17 o  206.800   25.481  565.466  128.803   0.0000   0.0000  565.466  128.803  ?   ?   206.800   25.481 0.000000 25.48054 
1 1 1  -19   -9   18 o  167.110   13.518  355.743   55.926  339.974  131.773  359.208   61.765  155.375   34.824  167.569   14.916 -12.19412 37.88416 
1 1 1  -19   -9   19 o  186.156   13.693  441.761   63.207  441.335  142.782  441.864   70.490  177.643   33.413  185.696   15.338 -8.052475 36.76525 
1 1 1  -19   -9   20 o  285.067   13.784  1032.90   98.125  1227.58  200.997  971.981  112.433  302.423   26.896  275.057   16.444 27.36597 31.52443 
1 1 1  -19   -9   21 o  121.861   14.952  192.475   44.546  193.786  128.387  192.295   47.497  115.649   38.228  121.471   16.051 -5.821701 41.46157 
1 1 1  -19   -9   22 o  145.699   16.555  277.045   59.164  363.444  140.021  258.267   65.278  155.834   36.604  139.575   19.240 16.25916 41.35281 
1 1 1  -19   -9   23 o  143.615   14.254  267.181   50.444  268.522  140.633  266.983   54.041  130.495   39.652  143.154   15.357 -12.65857 42.52206 
1 1 1  -19   -9   24 o  147.949   14.549  284.953   53.056  322.026  148.325  279.514   56.815  140.395   40.235  145.971   15.841 -5.576141 43.24133 
1 1 1  -19   -9   25 o  172.187   14.104  385.835   60.113  433.327  163.915  378.455   64.615  160.822   40.762  169.868   15.400 -9.046112 43.57417 
1 1 1  -19   -9   26 o  220.493   27.089  703.302  146.016   0.0000   0.0000  703.302  146.016  ?   ?   220.493   27.089 0.000000 27.08856 
1 1 1  -19   -9   27 o   62.287   27.286   8.9989   81.057   0.0000   0.0000   8.9989   81.057  ?   ?    62.287   27.286 0.000000 27.28584 
1 1 1  -19   -9   28 o  231.769   28.666  810.442  162.375   0.0000   0.0000  810.442  162.375  ?   ?   231.769   28.666 0.000000 28.66645 
1 1 1  -19   -9   29 o  141.210   32.155  325.274  110.847   0.0000   0.0000  325.274  110.847  ?   ?   141.210   32.155 0.000000 32.15472 
1 1 1  -19   -8    1 o  219.247   9.9228  602.901   54.327  613.494   76.761  592.271   76.899  220.236   14.030  216.319   14.317 3.916397 20.04535 
1 1 1  -19   -8    2 o  388.569   20.014  1925.00  193.547   0.0000   0.0000  1925.00  193.547  ?   ?   388.569   20.014 0.000000 20.01449 
1 1 1  -19   -8    3 f  202.932   19.174  527.435   96.015  527.435   96.015   0.0000   0.0000  202.932   19.174  ?   ?  0.000000 19.17396 
1 1 1  -19   -8    4 o  237.283   14.155  712.129   83.492  591.852  109.108  882.075  129.695  214.639   20.610  262.617   19.925 -47.97755 28.66642 
1 1 1  -19   -8    5 o  127.454   10.101  205.083   31.885  174.503   44.448  237.502   45.765  116.526   15.673  136.656   13.591 -20.13029 20.74483 
1 1 1  -19   -8    6 o  294.560   10.786  1089.51   79.338  1033.26  112.336  1145.48  112.065  285.507   15.818  301.261   14.896 -15.75345 21.72799 
1 1 1  -19   -8    7 o  101.613   14.629  132.872   36.050   92.778   79.881  143.126   40.398   87.557   30.155  105.283   15.858 -17.72631 34.07042 
1 1 1  -19   -8    8 o   82.433   16.823   89.088   33.459   52.727   78.956   97.046   36.939   76.144   29.359   85.947   17.797 -9.802719 34.33191 
1 1 1  -19   -8    9 o  271.225   12.516  925.862   84.773  1164.18  159.204  831.552  100.152  301.173   21.306  255.985   15.744 45.18811 26.49149 
1 1 1  -19   -8   10 o  330.574   14.601  1379.59  120.528  1403.37  218.125  1369.13  144.610  328.184   26.851  328.016   17.720 0.1679382 32.17091 
1 1 1  -19   -8   11 o  351.644   18.678  1576.69  163.431  1603.53  241.266  1553.94  222.167  350.279   27.811  345.801   25.916 4.478058 38.01472 
1 1 1  -19   -8   12 o  356.760   14.768  1608.03  131.567  1711.53  238.523  1562.77  157.732  362.507   26.533  350.235   18.097 12.27148 32.11692 
1 1 1  -19   -8   13 o  234.081   13.670  693.570   79.557  616.375  152.146  722.619   93.334  215.527   29.005  238.422   15.765 -22.89523 33.01296 
1 1 1  -19   -8   14 o  181.812   12.610  418.453   56.898  544.898  122.509  383.676   64.248  204.087   24.530  173.559   14.970 30.52765 28.73697 
1 1 1  -19   -8   15 o  135.802   14.442  235.661   48.226  193.772  111.407  245.320   53.498  118.886   35.104  138.290   15.774 -19.40472 38.48479 
1 1 1  -19   -8   16 o  298.267   14.245  1124.82  106.101  1237.72  200.917  1081.17  124.943  307.241   26.445  291.090   17.265 16.15155 31.58189 
1 1 1  -19   -8   17 o  180.730   26.455  434.173  115.860   0.0000   0.0000  434.173  115.860  ?   ?   180.730   26.455 0.000000 26.45471 
1 1 1  -19   -8   18 o  106.521   16.320  147.456   42.028   87.078  118.982  156.063   44.924   92.876   35.976  109.484   16.981 -16.60856 39.78207 
1 1 1  -19   -8   19 o  204.802   13.133  532.723   66.810  553.281  145.583  527.238   75.196  202.052   29.743  203.243   14.920 -1.190842 33.27569 
1 1 1  -19   -8   20 o  208.067   12.699  549.913   65.668  859.332  153.940  481.083   72.605  254.924   24.483  193.859   15.117 61.06522 28.77423 
1 1 1  -19   -8   21 o  198.974   13.319  504.892   65.797  535.489  151.203  497.745   73.079  195.842   32.025  197.016   14.966 -1.174118 35.34885 
1 1 1  -19   -8   22 o  141.713   16.305  261.101   56.649  385.555  137.320  235.577   62.187  162.943   34.805  133.498   19.207 29.44505 39.75319 
1 1 1  -19   -8   23 o  226.679   13.299  657.805   74.951  801.915  170.962  623.516   83.392  239.855   29.142  219.802   15.288 20.05319 32.90831 
1 1 1  -19   -8   24 f   77.210   17.904   80.713   33.850   87.436  132.563   80.244   35.011   90.986   37.064   76.863   18.470 14.12352 41.41161 
1 1 1  -19   -8   25 o  257.724   14.182  858.880   90.925  1044.51  201.837  811.618  101.844  268.417   30.662  249.028   16.470 19.38850 34.80577 
1 1 1  -19   -8   26 o  419.718   16.668  2312.51  174.699  2759.47  338.376  2150.07  203.989  431.355   31.634  399.305   20.527 32.05042 37.71019 
1 1 1  -19   -8   27 o  107.093   32.718  180.972   95.562   0.0000   0.0000  180.972   95.562  ?   ?   107.093   32.718 0.000000 32.71838 
1 1 1  -19   -8   29 o   78.582   31.332   79.995   92.521   0.0000   0.0000   79.995   92.521  ?   ?    78.582   31.332 0.000000 31.33180 
1 1 1  -19   -8   30 o   65.796   28.688   23.974   88.676   0.0000   0.0000   23.974   88.676  ?   ?    65.796   28.688 0.000000 28.68847 
1 1 1  -19   -7    1 o   84.468   12.087   91.455   24.768   80.993   33.957  103.347   36.204   78.465   17.746   88.982   16.912 -10.51665 24.51353 
1 1 1  -19   -7    2 o  393.769   15.568  1957.28  153.080  1870.93  185.639  2140.75  270.604  383.349   19.456  406.700   26.795 -23.35123 33.11323 
1 1 1  -19   -7    3 o  153.708   13.897  299.964   52.765  272.181   65.572  351.000   88.873  145.403   18.476  164.433   22.212 -19.03040 28.89209 
1 1 1  -19   -7    4 o  380.236   17.369  1830.44  164.924  1451.64  225.331  2267.50  242.041  334.285   27.230  420.374   23.146 -86.08859 35.73806 
1 1 1  -19   -7    5 o  111.411   10.721  157.233   29.459  162.027   41.272  152.253   42.061  112.344   15.093  108.662   15.978 3.682228 21.97950 
1 1 1  -19   -7    6 o  324.540   11.332  1323.14   91.836  1266.30  129.850  1380.02  129.902  316.003   16.512  330.511   15.739 -14.50873 22.81177 
1 1 1  -19   -7    7 o  207.612   10.494  542.403   54.229  533.964   76.656  550.857   76.725  205.141   15.069  208.427   14.838 -3.286926 21.14844 
1 1 1  -19   -7    8 o  141.223   13.049  253.179   45.497  285.834   94.292  243.269   51.944  146.691   26.725  137.970   15.336 8.720947 30.81303 
1 1 1  -19   -7    9 o   79.321   16.175   82.396   30.953  189.592   79.819   63.423   33.580  118.771   27.461   69.512   18.864 49.25877 33.31548 
1 1 1  -19   -7   10 o  218.928   12.018  604.585   65.450  669.810  127.544  581.270   76.256  227.614   22.744  214.188   14.340 13.42653 26.88700 
1 1 1  -19   -7   11 o  219.732   15.776  613.581   85.990  563.110  136.208  647.027  110.880  206.981   26.995  224.513   19.986 -17.53183 33.58837 
1 1 1  -19   -7   12 o  360.693   18.906  1659.16  169.696  1711.84  250.822  1614.69  230.444  361.964   27.966  352.349   26.382 9.614899 38.44606 
1 1 1  -19   -7   13 o  218.500   12.718  603.276   69.094  631.101  135.005  593.402   80.425  219.873   25.035  216.201   14.989 3.672073 29.17888 
1 1 1  -19   -7   14 o  160.873   12.551  327.875   50.021  369.913  110.278  316.986   56.127  166.768   27.435  157.798   14.402 8.970612 30.98521 
1 1 1  -19   -7   15 o  309.047   13.849  1205.62  106.877  1302.57  200.541  1167.16  126.310  316.187   25.619  302.873   16.766 13.31332 30.61714 
1 1 1  -19   -7   16 o  161.547   13.867  331.902   55.400  285.259  121.010  344.270   62.314  143.594   34.230  164.214   15.375 -20.61975 37.52474 
1 1 1  -19   -7   17 o  145.660   14.832  271.183   53.197  176.118  121.898  293.548   59.125  114.508   37.221  151.361   15.879 -36.85239 40.46649 
1 1 1  -19   -7   18 o  282.265   26.136  1047.07  182.135   0.0000   0.0000  1047.07  182.135  ?   ?   282.265   26.136 0.000000 26.13613 
1 1 1  -19   -7   19 o   98.827   16.892  127.686   40.189   11.945  112.094  144.758   43.051   76.904   32.880  105.366   16.936 -28.46147 36.98518 
1 1 1  -19   -7   20 o   91.680   16.843  110.432   37.139  142.122  117.906  106.941   39.131  104.640   36.602   89.904   18.057 14.73575 40.81344 
1 1 1  -19   -7   21 o  226.139   12.795  649.594   71.956  948.036  162.693  577.017   80.230  267.623   24.620  212.324   15.233 55.29919 28.95160 
1 1 1  -19   -7   22 o  167.778   13.991  360.583   58.084  404.230  143.268  351.997   63.540  167.507   35.361  165.256   15.581 2.250839 38.64112 
1 1 1  -19   -7   23 o  160.431   16.164  333.796   63.874  490.101  146.286  296.976   71.000  185.402   32.796  150.004   19.409 35.39757 38.10938 
1 1 1  -19   -7   24 o  117.013   15.188  178.655   43.334  282.912  139.627  167.543   45.585  135.232   39.120  112.760   16.693 22.47188 42.53290 
1 1 1  -19   -7   25 o  205.833   14.126  546.795   72.167  505.577  170.936  555.735   79.610  179.862   39.167  206.824   15.527 -26.96136 42.13297 
1 1 1  -19   -7   26 o  211.812   14.660  582.761   77.067  534.329  181.877  593.360   85.083  180.562   41.241  212.882   16.125 -32.31982 44.28123 
1 1 1  -19   -7   27 o  478.496   27.312  3266.41  324.998  3182.25  473.598  3341.32  446.805  430.253   44.733  453.566   39.852 -23.31317 59.91071 
1 1 1  -19   -7   28 o  118.814   32.863  223.915  100.785   0.0000   0.0000  223.915  100.785  ?   ?   118.814   32.863 0.000000 32.86273 
1 1 1  -19   -7   29 o   83.696   31.742   99.050   91.314   0.0000   0.0000   99.050   91.314  ?   ?    83.696   31.742 0.000000 31.74176 
1 1 1  -19   -7   30 o   71.819   30.084   49.922   90.674   0.0000   0.0000   49.922   90.674  ?   ?    71.819   30.084 0.000000 30.08399 
1 1 1  -19   -7   31 o  102.706   33.846  181.291  100.664   0.0000   0.0000  181.291  100.664  ?   ?   102.706   33.846 0.000000 33.84557 
1 1 1  -19   -6    1 o  165.690   12.446  347.035   51.122  362.772   98.581  341.246   59.789  166.652   24.412  163.884   14.768 2.768112 28.53144 
1 1 1  -19   -6    2 o  128.310   10.425  207.900   33.115  232.518   45.860  181.080   47.867  135.211   13.775  118.589   16.620 16.62148 21.58648 
1 1 1  -19   -6    3 o  125.752   14.304  201.758   44.120  181.956   53.335  244.684   78.525  118.428   18.652  136.392   23.928 -17.96447 30.33834 
1 1 1  -19   -6    4 o  190.029   13.941  457.234   65.694  414.378   84.392  523.144  104.657  179.731   19.095  201.632   21.098 -21.90102 28.45612 
1 1 1  -19   -6    5 o  165.382   10.548  344.622   43.337  337.720   61.416  351.467   61.159  162.899   15.276  166.288   14.886 -3.388519 21.32940 
1 1 1  -19   -6    6 o  292.084   11.184  1071.42   81.577  1071.06  115.391  1071.77  115.343  290.745   15.954  290.845   15.942 -0.9994507E-01 22.55377 
1 1 1  -19   -6    7 o  156.913   10.580  310.430   41.215  336.734   58.332  284.206   58.243  162.791   14.501  149.173   15.879 13.61751 21.50416 
1 1 1  -19   -6    8 o  176.648   10.273  392.890   45.121  411.491   63.983  374.488   63.639  180.099   14.346  171.628   14.999 8.470322 20.75509 
1 1 1  -19   -6    9 o  382.154   11.992  1836.21  114.442  1800.32  162.183  1871.81  161.511  377.011   17.227  384.552   16.819 -7.540955 24.07549 
1 1 1  -19   -6   10 o  130.977   13.367  218.267   43.106  183.863   91.824  227.992   48.820  116.544   31.008  133.602   14.886 -17.05740 34.39610 
1 1 1  -19   -6   11 o  154.855   13.044  304.047   49.971  279.021  101.016  312.155   57.499  144.137   29.068  156.567   14.886 -12.42917 32.65797 
1 1 1  -19   -6   12 o   79.598   19.143   83.745   37.585 -14.4617   84.304  108.107   41.989   63.474   27.816   90.559   19.165 -27.08530 33.77896 
1 1 1  -19   -6   13 o  375.404   14.577  1779.10  136.652  2141.49  247.791  1620.71  163.814  407.163   24.484  356.679   18.455 50.48386 30.66064 
1 1 1  -19   -6   14 o  170.515   12.643  368.092   53.451  427.227  115.307  351.908   60.324  179.951   26.449  166.303   14.676 13.64839 30.24795 
1 1 1  -19   -6   15 o  121.303   14.344  188.295   42.610  197.327  104.658  186.500   46.651  120.149   33.580  120.381   15.908 -0.2318192 37.15781 
1 1 1  -19   -6   16 o  367.030   16.237  1707.24  148.822  1571.49  268.510  1767.43  178.797  343.913   31.619  371.834   19.322 -27.92148 37.05580 
1 1 1  -19   -6   17 o  353.715   14.593  1581.85  128.899  1913.89  240.998  1448.81  152.553  383.577   25.302  336.890   18.201 46.68637 31.16847 
1 1 1  -19   -6   18 o  344.767   14.654  1503.95  126.165  1632.60  236.270  1452.64  149.220  352.781   27.025  337.349   17.776 15.43237 32.34719 
1 1 1  -19   -6   19 o  125.918   31.470  218.722   98.679   0.0000   0.0000  218.722   98.679  ?   ?   125.918   31.470 0.000000 31.46991 
1 1 1  -19   -6   20 o  221.776   12.627  623.107   69.639  963.538  159.591  543.041   77.396  271.405   23.787  206.327   15.127 65.07785 28.18959 
1 1 1  -19   -6   21 o  278.151   12.711  978.437   88.291  1291.35  186.221  887.700  100.278  313.723   23.951  263.777   15.289 49.94617 28.41504 
1 1 1  -19   -6   22 o  119.198   15.027  183.660   43.734  396.894  130.609  156.732   46.413  168.446   32.224  109.265   17.609 59.18131 36.72132 
1 1 1  -19   -6   23 o  141.042   14.923  256.634   51.763  169.257  135.538  271.554   56.009  110.697   39.199  144.873   15.735 -34.17597 42.23880 
1 1 1  -19   -6   24 o  131.225   16.299  224.674   52.261  488.852  139.518  181.556   56.365  185.975   31.143  116.448   20.110 69.52732 37.07163 
1 1 1  -19   -6   25 o   80.051   18.632   86.793   36.548   60.915  132.098   88.938   38.033   86.942   36.356   80.934   19.122 6.008553 41.07824 
1 1 1  -19   -6   26 o   90.013   17.865  109.313   38.740   0.0000   0.0000  109.313   38.740  ?   ?    90.013   17.865 0.000000 17.86510 
1 1 1  -19   -6   27 o  394.634   15.171  2021.56  149.503  2491.15  298.291  1864.03  172.769  417.276   28.803  375.565   18.422 41.71054 34.19002 
1 1 1  -19   -6   28 o  140.901   32.455  306.030  111.840   0.0000   0.0000  306.030  111.840  ?   ?   140.901   32.455 0.000000 32.45469 
1 1 1  -19   -6   29 o  145.792   32.012  330.153  113.355   0.0000   0.0000  330.153  113.355  ?   ?   145.792   32.012 0.000000 32.01221 
1 1 1  -19   -6   30 o  137.588   33.642  306.288  114.624   0.0000   0.0000  306.288  114.624  ?   ?   137.588   33.642 0.000000 33.64208 
1 1 1  -19   -6   31 o   59.275   27.007 -18.5844   88.168   0.0000   0.0000 -18.5844   88.168  ?   ?    59.275   27.007 0.000000 27.00698 
1 1 1  -19   -5    1 o  207.983   13.920  547.055   71.878  547.055   71.878   0.0000   0.0000  207.983   13.920  ?   ?  0.000000 13.91986 
1 1 1  -19   -5    2 o  116.809   10.681  172.624   30.811  176.332   42.493  168.512   44.742  117.368   14.829  114.440   16.101 2.927887 21.88975 
1 1 1  -19   -5    3 o  325.120   15.775  1334.35  128.071  1045.28  172.770  1686.95  190.811  284.593   24.551  363.421   21.116 -78.82785 32.38269 
1 1 1  -19   -5    4 o  102.679   15.597  135.987   38.735  124.682   45.092  167.815   75.660   97.500   19.204  111.925   27.311 -14.42497 33.38686 
1 1 1  -19   -5    5 o  233.493   10.533  684.127   61.416  725.906   87.275  643.142   86.441  239.523   14.662  225.231   15.463 14.29196 21.30870 
1 1 1  -19   -5    6 o  358.444   13.056  1616.71  116.862  1623.61  165.121  1609.78  165.415  357.342   18.568  355.773   18.684 1.569733 26.34148 
1 1 1  -19   -5    7 o  211.646   10.157  561.964   53.684  560.002   75.875  563.932   75.966  210.267   14.540  211.013   14.505 -0.7461853 20.53729 
1 1 1  -19   -5    8 o  232.248   9.8707  676.557   57.247  650.319   80.695  703.141   81.226  226.691   14.328  235.852   13.852 -9.160706 19.92957 
1 1 1  -19   -5    9 o  228.886   10.522  657.570   60.142  669.842   85.067  645.305   85.041  229.943   14.895  225.611   15.183 4.332245 21.26887 
1 1 1  -19   -5   10 f  324.995   12.481  1328.69  101.296  1320.94  143.304  1336.44  143.203  322.312   17.875  324.244   17.753 -1.931641 25.19298 
1 1 1  -19   -5   11 o  182.654   9.9870  419.823   45.380  416.662   64.568  422.909   63.794  181.208   14.387  182.626   14.098 -1.418457 20.14273 
1 1 1  -19   -5   12 o   77.397   18.270   79.025   34.744  105.872   81.234   73.014   38.437   91.714   30.413   74.481   20.169 17.23378 36.49287 
1 1 1  -19   -5   13 o  357.071   17.577  1616.87  156.728  1914.80  233.970  1374.38  211.087  385.109   24.456  325.217   26.214 59.89243 35.85092 
1 1 1  -19   -5   14 o  136.904   13.399  238.390   45.222  324.918  102.771  217.613   50.359  156.293   27.327  130.260   15.805 26.03249 31.56830 
1 1 1  -19   -5   15 o  186.823   12.589  441.406   58.390  565.048  123.220  405.602   66.307  208.267   24.140  178.560   15.010 29.70729 28.42597 
1 1 1  -19   -5   16 o  428.819   17.001  2332.43  182.052  2396.62  325.785  2303.28  219.526  426.204   30.818  424.531   20.707 1.673004 37.12860 
1 1 1  -19   -5   17 o  448.853   16.947  2556.59  189.949  2797.30  341.649  2448.90  228.524  460.983   29.839  437.460   20.919 23.52261 36.44116 
1 1 1  -19   -5   18 o  122.877   14.321  193.296   43.119  266.540  117.037  181.792   46.382  138.824   34.025  118.733   16.055 20.09064 37.62243 
1 1 1  -19   -5   19 o  143.141   30.223  279.334  104.642   0.0000   0.0000  279.334  104.642  ?   ?   143.141   30.223 0.000000 30.22297 
1 1 1  -19   -5   20 o  155.605   22.975  318.995   86.590  383.385  147.045  284.813  107.136  165.183   36.610  144.122   30.708 21.06067 47.78337 
1 1 1  -19   -5   21 o  130.347   14.484  217.939   46.347  274.286  129.356  209.640   49.643  138.917   36.729  127.451   15.947 11.46606 40.04156 
1 1 1  -19   -5   22 o  100.236   16.968  131.703   40.957  220.967  127.239  121.385   43.259  124.467   37.693   95.679   18.776 28.78760 42.11090 
1 1 1  -19   -5   23 o   87.839   17.854  102.531   37.829  150.169  123.525   97.600   39.738  106.045   37.435   85.383   19.114 20.66178 42.03247 
1 1 1  -19   -5   24 o  141.533   14.166  257.793   49.395  380.607  136.375  239.248   52.993  162.209   34.716  135.760   15.934 26.44824 38.19818 
1 1 1  -19   -5   25 o  177.564   17.002  410.698   74.466  396.758  156.863  414.754   84.607  161.142   39.328  177.352   19.421 -16.20961 43.86164 
1 1 1  -19   -5   26 o  160.746   39.926  405.837  159.543  405.837  159.543   0.0000   0.0000  160.746   39.926  ?   ?  0.000000 39.92554 
1 1 1  -19   -5   27 o  219.781   13.566  622.746   74.089  830.554  183.794  582.425   80.959  238.708   31.610  211.544   15.432 27.16319 35.17615 
1 1 1  -19   -5   28 o   69.489   18.839   66.254   33.511   53.481  144.397   66.981   34.451   85.395   36.923   69.830   19.172 15.56522 41.60358 
1 1 1  -19   -5   29 o  105.663   34.091  176.232  102.384   0.0000   0.0000  176.232  102.384  ?   ?   105.663   34.091 0.000000 34.09089 
1 1 1  -19   -5   30 o  110.489   33.925  197.216  102.593   0.0000   0.0000  197.216  102.593  ?   ?   110.489   33.925 0.000000 33.92471 
1 1 1  -19   -5   31 o  105.143   34.758  183.623  106.134   0.0000   0.0000  183.623  106.134  ?   ?   105.143   34.758 0.000000 34.75800 
1 1 1  -19   -5   32 o  105.270   35.593  192.167  111.214   0.0000   0.0000  192.167  111.214  ?   ?   105.270   35.593 0.000000 35.59311 
1 1 1  -19   -4    1 o  397.210   12.985  1984.40  128.803  1931.98  181.329  2037.80  182.993  390.439   18.598  401.092   18.270 -10.65363 26.07056 
1 1 1  -19   -4    2 o  299.278   11.842  1125.16   88.501  1118.26  124.534  1132.20  125.795  296.973   16.862  298.807   16.928 -1.833923 23.89341 
1 1 1  -19   -4    3 o  269.921   14.781  921.065   99.252  746.254  132.133  1147.41  150.353  240.928   22.212  299.833   20.199 -58.90465 30.02264 
1 1 1  -19   -4    4 o  113.320   14.139  164.190   39.141  103.701   45.426  338.534   77.120   88.554   20.882  162.218   19.424 -73.66389 28.51935 
1 1 1  -19   -4    5 o  300.278   11.357  1132.29   85.158  1085.27  120.034  1179.93  120.833  292.606   16.495  305.293   15.905 -12.68784 22.91361 
1 1 1  -19   -4    6 o  121.845   11.084  187.904   33.357  237.677   46.847  136.714   47.509  136.686   13.919  102.175   19.328 34.51080 23.81817 
1 1 1  -19   -4    7 o  157.805   9.7679  313.462   38.303  315.486   53.637  311.356   54.716  157.695   13.758  156.581   14.146 1.114410 19.73355 
1 1 1  -19   -4    8 o  220.768   10.326  611.539   56.925  610.212   80.762  612.850   80.250  219.476   14.823  219.979   14.693 -0.5029907 20.87099 
1 1 1  -19   -4    9 o  167.568   10.687  353.873   44.485  367.111   62.643  340.406   63.182  169.958   14.910  163.456   15.671 6.501465 21.63109 
1 1 1  -19   -4   10 o  461.115   15.236  2684.02  175.438  2754.50  248.290  2613.74  247.925  464.681   21.397  452.403   21.945 12.27850 30.65017 
1 1 1  -19   -4   11 o  165.349   10.171  344.339   41.792  371.807   59.226  317.099   58.980  171.209   13.975  157.794   15.155 13.41548 20.61436 
1 1 1  -19   -4   12 o  314.311   12.223  1242.47   95.940  1281.83  135.912  1203.38  135.449  317.687   17.196  307.625   17.707 10.06195 24.68265 
1 1 1  -19   -4   13 o  212.357   15.306  572.431   80.621  596.443  130.281  557.529  102.633  214.018   24.839  208.367   19.969 5.650818 31.87067 
1 1 1  -19   -4   14 o  286.702   14.099  1036.62  100.940  955.250  183.677  1071.82  120.820  270.206   27.609  290.483   16.727 -20.27689 32.28075 
1 1 1  -19   -4   15 o  242.209   12.199  739.954   73.551  1025.77  146.639  643.879   85.018  282.722   20.919  225.249   15.204 57.47220 25.86002 
1 1 1  -19   -4   16 o  181.524   13.409  417.551   60.351  389.454  124.425  426.195   69.013  170.273   30.377  183.018   15.239 -12.74451 33.98468 
1 1 1  -19   -4   17 o  290.256   12.989  1061.68   94.145  1286.39  182.591  980.302  109.877  315.504   23.341  277.841   15.903 37.66290 28.24334 
1 1 1  -19   -4   18 o  220.621   13.111  615.789   71.906  670.349  147.951  598.916   82.276  225.763   26.764  217.059   15.277 8.703812 30.81713 
1 1 1  -19   -4   19 o  314.391   14.561  1249.80  114.315  1330.00  216.756  1218.89  134.548  318.194   27.551  309.155   17.500 9.039185 32.63894 
1 1 1  -19   -4   20 o  140.263   30.566  269.100  104.037   0.0000   0.0000  269.100  104.037  ?   ?   140.263   30.566 0.000000 30.56624 
1 1 1  -19   -4   21 o  251.857   13.252  803.762   83.051  954.728  177.063  761.180   94.037  268.830   26.730  244.421   15.487 24.40875 30.89220 
1 1 1  -19   -4   22 o  188.958   13.512  454.229   63.337  483.833  147.121  447.494   70.173  187.283   32.644  187.101   15.149 0.1822205 35.98817 
1 1 1  -19   -4   23 f   50.405   18.279   27.406   29.664 -23.8130  119.719   30.757   30.619   73.076   32.533   52.322   18.620 20.75429 37.48452 
1 1 1  -19   -4   24 o  320.505   14.467  1308.77  115.785  1411.05  228.788  1273.55  134.245  322.493   28.710  314.462   17.160 8.030975 33.44725 
1 1 1  -19   -4   25 o  311.762   24.934  1303.65  192.491   0.0000   0.0000  1303.65  192.491  ?   ?   311.762   24.934 0.000000 24.93366 
1 1 1  -19   -4   26 o  142.793   15.565  265.173   54.603  362.640  152.852  250.916   58.461  153.051   39.667  138.209   17.319 14.84109 43.28314 
1 1 1  -19   -4   27 o  121.753   15.383  194.101   45.728  254.226  143.964  187.354   48.225  126.305   40.391  119.115   16.669 7.191002 43.69532 
1 1 1  -19   -4   28 o  150.524   14.431  294.929   53.580  341.684  156.893  288.756   57.007  143.164   41.484  148.418   15.615 -5.254654 44.32562 
1 1 1  -19   -4   29 o  186.486   14.491  453.259   66.951  524.804  179.470  441.692   72.161  176.982   41.353  183.288   15.924 -6.306702 44.31322 
1 1 1  -19   -4   30 o  154.768   32.535  369.901  121.751   0.0000   0.0000  369.901  121.751  ?   ?   154.768   32.535 0.000000 32.53472 
1 1 1  -19   -4   31 o  134.485   34.688  294.322  117.255   0.0000   0.0000  294.322  117.255  ?   ?   134.485   34.688 0.000000 34.68750 
1 1 1  -19   -4   32 o  145.182   34.243  345.404  122.131   0.0000   0.0000  345.404  122.131  ?   ?   145.182   34.243 0.000000 34.24259 
1 1 1  -19   -4   33 o  219.571   31.182  761.469  166.172   0.0000   0.0000  761.469  166.172  ?   ?   219.571   31.182 0.000000 31.18249 
1 1 1  -19   -3    1 o  315.621   11.948  1251.49   94.173  1236.73  132.294  1266.67  134.085  312.320   17.027  316.082   17.051 -3.762024 24.09636 
1 1 1  -19   -3    2 o  169.509   14.111  364.290   59.187  334.362   74.769  414.517   96.861  161.346   18.916  179.044   22.136 -17.69788 29.11719 
1 1 1  -19   -3    3 o  324.442   16.026  1329.00  129.842  1073.15  175.387  1639.28  193.144  288.436   24.585  358.070   21.703 -69.63382 32.79359 
1 1 1  -19   -3    4 o  178.692   14.269  404.729   63.141  390.203   80.854  427.435  101.086  174.459   18.859  181.648   22.786 -7.189743 29.57848 
1 1 1  -19   -3    5 o  449.909   14.844  2551.94  166.779  2524.10  235.474  2579.95  236.249  445.235   21.179  450.201   21.014 -4.965912 29.83521 
1 1 1  -19   -3    6 o  203.360   9.9669  518.642   50.615  539.836   71.213  497.004   71.953  206.593   13.884  198.042   14.653 8.551453 20.18633 
1 1 1  -19   -3    7 o  166.637   10.317  349.681   42.719  361.862   59.756  336.948   61.095  168.877   14.304  162.743   15.210 6.134003 20.87906 
1 1 1  -19   -3    8 o  329.619   12.768  1366.63  105.094  1464.69  148.657  1268.65  148.594  339.686   17.585  315.655   18.939 24.03101 25.84403 
1 1 1  -19   -3    9 o  161.420   10.588  328.401   42.445  317.564   59.420  339.691   60.651  157.924   15.257  163.426   15.030 -5.501221 21.41692 
1 1 1  -19   -3   10 o  265.116   10.938  882.483   72.412  1003.04  103.244  765.760  101.590  281.638   14.731  245.520   16.668 36.11731 22.24492 
1 1 1  -19   -3   11 o  213.540   10.834  573.954   57.585  538.698   80.990  610.000   81.893  205.902   15.874  219.364   15.040 -13.46288 21.86769 
1 1 1  -19   -3   12 o  449.915   14.846  2554.06  166.793  2550.64  235.786  2557.49  235.976  447.236   21.112  447.842   21.100 -0.6052551 29.84877 
1 1 1  -19   -3   13 o  245.181   15.920  762.873   96.943  762.112  149.965  763.420  127.060  242.185   25.164  243.807   21.077 -1.621750 32.82474 
1 1 1  -19   -3   14 o  127.035   15.944  207.092   49.464  237.444   97.159  196.473   57.469  132.532   30.050  122.901   19.366 9.630737 35.74962 
1 1 1  -19   -3   15 o  246.794   12.837  768.826   78.838  780.551  149.834  764.338   92.709  245.112   24.821  245.538   15.195 -0.4261017 29.10280 
1 1 1  -19   -3   16 o  256.748   12.068  829.272   77.376  1121.48  153.435  729.615   89.605  295.680   20.915  239.879   15.034 55.80135 25.75816 
1 1 1  -19   -3   17 o  141.263   14.069  254.200   48.971  339.967  112.904  234.325   54.350  159.127   29.499  135.067   16.454 24.05998 33.77753 
1 1 1  -19   -3   18 o  134.531   14.477  231.132   47.870  299.274  112.633  216.109   52.884  148.345   31.384  129.539   16.740 18.80595 35.56974 
1 1 1  -19   -3   19 o  219.017   13.063  606.899   71.121  728.301  147.923  570.397   81.111  235.916   25.515  211.746   15.446 24.16971 29.82649 
1 1 1  -19   -3   20 o   99.872   16.405  129.726   39.493   29.302  113.590  143.535   42.120   80.808   33.745  105.124   16.596 -24.31686 37.60542 
1 1 1  -19   -3   21 o  252.812   26.600  842.773  165.414   0.0000   0.0000  842.773  165.414  ?   ?   252.812   26.600 0.000000 26.60040 
1 1 1  -19   -3   22 o  220.743   13.155  618.054   72.184  877.043  160.523  552.408   80.816  258.152   25.223  207.955   15.678 50.19653 29.69831 
1 1 1  -19   -3   23 o  182.400   14.682  425.147   66.308  326.452  152.676  448.091   73.613  149.612   40.065  186.916   15.923 -37.30409 43.11288 
1 1 1  -19   -3   24 o  229.303   13.760  670.011   78.429  827.289  183.983  635.084   86.701  245.779   30.642  222.546   15.702 23.23354 34.43095 
1 1 1  -19   -3   25 o   74.854   33.452 -23.2894  127.894 -23.2894  127.894   0.0000   0.0000   74.854   33.452  ?   ?  0.000000 33.45229 
1 1 1  -19   -3   26 o  157.403   17.142  323.312   66.288  337.307  152.580  320.056   73.597  148.107   40.217  155.702   19.345 -7.595062 44.62819 
1 1 1  -19   -3   27 o   72.425   19.423   71.167   35.851 -53.4887  131.766   81.133   37.257   70.908   32.572   77.240   19.355 -6.331367 37.88888 
1 1 1  -19   -3   28 o  154.658   15.115  311.614   57.629  427.637  161.564  294.700   61.687  163.741   39.882  149.643   16.798 14.09804 43.27554 
1 1 1  -19   -3   29 o  136.072   15.165  242.819   50.655  310.244  162.672  235.579   53.305  134.376   42.931  133.505   16.329 0.8706360 45.93173 
1 1 1  -19   -3   30 o  229.789   14.451  687.554   82.502  766.467  202.180  671.789   90.369  218.243   38.505  226.007   16.118 -7.763626 41.74232 
1 1 1  -19   -3   31 o  259.188   29.927  998.006  190.137   0.0000   0.0000  998.006  190.137  ?   ?   259.188   29.927 0.000000 29.92665 
1 1 1  -19   -3   32 o   80.524   32.747   77.837  103.253   0.0000   0.0000   77.837  103.253  ?   ?    80.524   32.747 0.000000 32.74667 
1 1 1  -19   -3   33 o   94.133   35.115  143.499  110.756   0.0000   0.0000  143.499  110.756  ?   ?    94.133   35.115 0.000000 35.11504 
1 1 1  -19   -3   34 f  119.523   36.952  259.087  121.484   0.0000   0.0000  259.087  121.484  ?   ?   119.523   36.952 0.000000 36.95239 
1 1 1  -19   -2    1 o  302.635   15.711  1158.80  118.325  944.299  158.597  1428.08  177.701  270.774   23.694  334.248   21.402 -63.47400 31.92862 
1 1 1  -19   -2    2 o  104.420   15.334  140.362   38.794   97.602   44.870  266.966   77.208   85.915   21.074  143.093   22.337 -57.17747 30.70879 
1 1 1  -19   -2    3 o  309.638   17.448  1216.61  134.364  1280.77  184.026  1143.35  196.639  315.697   23.512  296.913   26.810 18.78415 35.65916 
1 1 1  -19   -2    4 o  301.662   15.797  1151.62  118.590  962.817  159.374  1385.83  177.510  273.460   23.569  329.112   21.721 -55.65253 32.05127 
1 1 1  -19   -2    5 o  171.432   10.631  370.163   45.288  386.994   63.274  352.484   64.848  174.636   14.644  166.387   15.797 8.248688 21.54051 
1 1 1  -19   -2    6 o  307.383   12.182  1187.45   93.508  1250.18  131.909  1124.09  132.574  314.020   16.884  297.425   17.934 16.59488 24.63064 
1 1 1  -19   -2    7 o  353.528   12.538  1571.44  110.685  1615.54  156.250  1527.03  156.816  357.274   17.513  346.717   18.175 10.55746 25.23994 
1 1 1  -19   -2    8 o  315.701   11.726  1252.14   92.447  1273.73  130.509  1230.39  130.972  317.033   16.542  311.478   16.902 5.555023 23.64972 
1 1 1  -19   -2    9 o  383.221   12.532  1846.77  119.930  1829.59  169.466  1864.01  169.748  380.047   17.856  383.647   17.718 -3.600067 25.15528 
1 1 1  -19   -2   10 o  451.516   15.457  2573.46  174.286  2642.01  246.554  2505.00  246.401  455.095   21.695  442.315   22.381 12.78043 31.17008 
1 1 1  -19   -2   11 o  175.068   10.577  386.051   46.023  420.776   64.824  350.757   65.353  182.152   14.368  165.886   15.974 16.26648 21.48471 
1 1 1  -19   -2   12 o  351.625   13.103  1556.25  115.051  1630.01  162.932  1482.89  162.483  358.060   18.283  341.179   19.148 16.88135 26.47513 
1 1 1  -19   -2   13 o  240.173   15.787  731.816   94.156  745.734  146.829  722.096  122.707  239.697   24.893  237.152   20.935 2.545166 32.52602 
1 1 1  -19   -2   14 o  246.772   16.326  773.409  100.039  715.769  154.385  815.128  131.345  233.980   26.913  251.985   21.066 -18.00563 34.17742 
1 1 1  -19   -2   15 o  205.635   10.926  532.566   55.907  538.347   79.157  526.812   78.971  205.860   15.512  203.599   15.653 2.261154 22.03690 
1 1 1  -19   -2   16 o  191.965   11.991  465.227   57.194  695.247  122.685  401.358   64.648  232.384   21.381  177.733   14.698 54.65120 25.94584 
1 1 1  -19   -2   17 o  257.478   13.370  837.642   85.670  913.120  163.731  809.188  100.529  265.079   25.031  252.402   16.033 12.67700 29.72534 
1 1 1  -19   -2   18 o  113.325   15.856  165.533   43.642   43.817  104.108  191.481   48.069   81.214   32.935  121.962   16.183 -40.74834 36.69614 
1 1 1  -19   -2   19 o  248.814   13.300  782.767   82.341  835.682  163.188  764.693   95.372  252.701   26.243  245.328   15.649 7.372650 30.55468 
1 1 1  -19   -2   20 o   88.149   18.055  102.325   38.406   63.256  108.600  107.910   41.060   86.195   34.078   90.431   18.796 -4.235466 38.91777 
1 1 1  -19   -2   21 o  201.872   27.243  540.538  133.828   0.0000   0.0000  540.538  133.828  ?   ?   201.872   27.243 0.000000 27.24325 
1 1 1  -19   -2   22 o  226.945   13.161  652.751   74.264  832.819  164.362  606.559   83.246  251.089   26.619  218.145   15.380 32.94400 30.74306 
1 1 1  -19   -2   23 f  194.623   13.032  481.039   62.971  641.771  153.094  448.308   69.085  218.511   28.755  187.370   14.888 31.14049 32.38037 
1 1 1  -19   -2   24 o  104.366   17.395  142.917   43.740   93.800  138.499  148.358   46.100   97.019   38.444  106.200   18.027 -9.181496 42.46085 
1 1 1  -19   -2   25 o  109.226   16.484  155.956   43.561  286.394  135.005  140.798   46.022  139.620   37.796  103.071   18.563 36.54865 42.10854 
1 1 1  -19   -2   26 o  193.896   14.583  482.791   70.095  485.402  163.391  482.202   77.599  181.650   37.270  193.142   16.240 -11.49210 40.65408 
1 1 1  -19   -2   27 f  149.421   17.510  292.806   64.097  233.273  153.064  305.466   70.583  123.247   41.756  152.026   19.008 -28.77916 45.87877 
1 1 1  -19   -2   28 o  168.748   15.254  369.912   63.583  319.160  162.985  379.022   69.054  139.751   42.734  170.304   16.442 -30.55276 45.78826 
1 1 1  -19   -2   29 o  132.095   15.660  229.130   50.650  231.973  157.614  228.802   53.487  119.246   42.266  131.591   16.649 -12.34412 45.42685 
1 1 1  -19   -2   30 o  184.994   14.908  446.614   68.285  368.186  179.801  459.832   73.815  143.480   45.054  187.152   15.946 -43.67162 47.79247 
1 1 1  -19   -2   31 o  126.118   36.006  258.037  119.005   0.0000   0.0000  258.037  119.005  ?   ?   126.118   36.006 0.000000 36.00576 
1 1 1  -19   -2   32 o  330.766   32.940  1682.53  268.456   0.0000   0.0000  1682.53  268.456  ?   ?   330.766   32.940 0.000000 32.93952 
1 1 1  -19   -2   33 f   86.841   33.986  107.672  107.034   0.0000   0.0000  107.672  107.034  ?   ?    86.841   33.986 0.000000 33.98644 
1 1 1  -19   -2   34 o  191.927   33.752  598.567  155.860   0.0000   0.0000  598.567  155.860  ?   ?   191.927   33.752 0.000000 33.75190 
1 1 1  -19   -2   35 o   85.074   34.256  111.240  111.767   0.0000   0.0000  111.240  111.767  ?   ?    85.074   34.256 0.000000 34.25641 
1 1 1  -19   -1    1 o  265.183   16.814  892.279  110.767  1055.51  150.744  700.712  163.306  287.226   21.166  231.125   28.928 56.10095 35.84469 
1 1 1  -19   -1    2 o  284.128   16.770  1023.72  118.457  1085.02  161.131  951.621  174.745  290.839   22.357  270.925   26.154 19.91318 34.40727 
1 1 1  -19   -1    3 o  169.491   14.305  364.383   59.978  329.445   75.156  425.664   99.536  160.071   19.184  181.372   22.456 -21.30092 29.53498 
1 1 1  -19   -1    4 o  382.173   13.639  1838.45  130.167  1780.71  183.190  1897.32  184.991  374.007   19.683  386.734   19.155 -12.72675 27.46562 
1 1 1  -19   -1    5 o  240.317   10.802  724.773   64.822  733.866   90.800  715.322   92.568  240.761   15.180  237.574   15.691 3.186920 21.83265 
1 1 1  -19   -1    6 o  272.433   10.968  931.610   74.614  979.045  105.093  883.395  105.954  278.211   15.184  264.002   16.149 14.20853 22.16664 
1 1 1  -19   -1    7 o  387.254   13.587  1887.79  131.391  1868.42  185.122  1907.45  186.516  383.180   19.410  387.677   19.266 -4.497040 27.34828 
1 1 1  -19   -1    8 o  277.844   11.433  969.514   79.325  1036.17  111.935  902.268  112.431  286.078   15.729  266.586   16.977 19.49203 23.14363 
1 1 1  -19   -1    9 o  306.877   11.882  1183.34   91.052  1222.91  128.663  1143.65  128.872  310.590   16.649  300.155   17.266 10.43494 23.98589 
1 1 1  -19   -1   10 o  323.402   12.410  1315.07  100.223  1362.24  141.232  1267.22  142.246  327.631   17.324  315.725   18.118 11.90543 25.06721 
1 1 1  -19   -1   11 o  457.633   15.001  2642.03  171.429  2652.57  242.331  2631.48  242.543  456.184   21.272  454.319   21.378 1.864258 30.15887 
1 1 1  -19   -1   12 o  202.691   10.842  517.227   54.680  567.429   77.309  466.971   77.350  211.617   14.721  191.535   16.328 20.08281 21.98430 
1 1 1  -19   -1   13 o  260.044   11.729  849.805   76.167  925.806  107.787  774.002  107.645  270.208   16.046  246.587   17.597 23.62155 23.81446 
1 1 1  -19   -1   14 o  308.305   17.085  1206.91  131.022  1297.99  197.114  1134.81  175.372  316.770   25.125  296.576   23.882 20.19470 34.66410 
1 1 1  -19   -1   15 o  422.812   14.057  2253.57  148.416  2213.50  209.800  2293.71  209.985  416.947   20.150  424.574   19.805 -7.626770 28.25374 
1 1 1  -19   -1   16 o  193.472   10.152  471.034   48.877  487.959   69.090  454.076   69.155  196.210   14.197  189.124   14.760 7.086746 20.47921 
1 1 1  -19   -1   17 o  330.005   13.111  1371.67  108.042  1751.43  202.514  1220.58  127.740  369.367   22.056  310.077   16.557 59.28998 27.57920 
1 1 1  -19   -1   18 o  100.884   16.131  131.888   39.270  243.125  103.830  113.320   42.421  133.572   31.619   92.779   18.950 40.79298 36.86299 
1 1 1  -19   -1   19 o  149.929   13.319  285.536   49.347  432.559  118.391  254.623   54.288  180.823   27.050  141.031   15.680 39.79256 31.26614 
1 1 1  -19   -1   20 o  103.369   17.026  138.995   42.419   35.213  109.087  157.483   46.043   80.799   33.348  110.110   17.317 -29.31154 37.57640 
1 1 1  -19   -1   21 o  236.233   13.804  707.113   81.079  695.390  165.217  710.832   93.055  228.417   29.665  236.307   15.861 -7.889572 33.63951 
1 1 1  -19   -1   22 f  133.176   32.732  245.519  108.082   0.0000   0.0000  245.519  108.082  ?   ?   133.176   32.732 0.000000 32.73183 
1 1 1  -19   -1   23 o  146.369   16.472  275.890   59.162   0.0000   0.0000  275.890   59.162  ?   ?   146.369   16.472 0.000000 16.47240 
1 1 1  -19   -1   24 o  286.746   30.916  1114.58  217.877  1114.58  217.877   0.0000   0.0000  286.746   30.916  ?   ?  0.000000 30.91629 
1 1 1  -19   -1   25 o  110.678   16.468  159.824   44.128  210.636  135.556  153.801   46.670  121.266   39.237  108.122   17.912 13.14309 43.13242 
1 1 1  -19   -1   26 o  137.317   15.284  243.787   51.521  369.211  146.136  225.985   55.055  158.292   37.539  131.560   17.167 26.73181 41.27806 
1 1 1  -19   -1   27 o   98.638   18.794  130.186   44.602  268.291  140.859  114.796   47.022  132.681   39.543   91.883   20.957 40.79771 44.75326 
1 1 1  -19   -1   28 o  249.168   15.085  801.166   93.418  858.364  202.801  785.760  105.250  242.559   34.449  245.523   17.277 -2.963257 38.53876 
1 1 1  -19   -1   29 o  142.879   14.994  266.036   52.701  331.637  162.578  258.334   55.709  141.621   42.545  140.290   16.200 1.331589 45.52451 
1 1 1  -19   -1   30 o   97.342   18.083  128.134   42.339  346.823  163.988  112.515   43.825  142.757   42.693   90.409   19.947 52.34868 47.12309 
1 1 1  -19   -1   31 o  190.820   15.177  476.410   71.721  532.129  194.449  467.636   77.161  174.169   44.534  188.219   16.586 -14.04948 47.52232 
1 1 1  -19   -1   32 o  364.909   34.795  2068.15  313.227   0.0000   0.0000  2068.15  313.227  ?   ?   364.909   34.795 0.000000 34.79506 
1 1 1  -19   -1   33 o  144.209   36.596  345.555  132.008   0.0000   0.0000  345.555  132.008  ?   ?   144.209   36.596 0.000000 36.59604 
1 1 1  -19   -1   34 o   93.305   35.406  138.007  113.654   0.0000   0.0000  138.007  113.654  ?   ?    93.305   35.406 0.000000 35.40606 
1 1 1  -19   -1   35 o  112.313   36.098  223.994  114.877   0.0000   0.0000  223.994  114.877  ?   ?   112.313   36.098 0.000000 36.09782 
1 1 1  -19    0    1 o  202.344   15.035  519.050   75.426  522.689   97.430  513.608  119.158  202.014   19.558  198.828   24.519 3.185455 31.36387 
1 1 1  -19    0    2 f  200.986   15.564  512.681   77.508  608.812  101.962  381.091  119.294  218.338   18.887  169.401   29.258 48.93726 34.82432 
1 1 1  -19    0    3 o  225.736   10.290  639.193   58.005  644.523   80.834  633.536   83.283  225.729   14.415  223.668   14.998 2.060349 20.80225 
1 1 1  -19    0    4 o  449.061   15.271  2543.59  171.247  2484.46  241.235  2603.65  243.135  441.466   21.882  452.077   21.537 -10.61090 30.70298 
1 1 1  -19    0    5 o  149.912   10.358  283.252   38.539  278.759   53.008  288.289   56.130  148.043   14.526  150.459   15.145 -2.415176 20.98494 
1 1 1  -19    0    6 o  197.426   10.731  490.555   52.704  500.395   73.429  480.098   75.692  198.678   14.909  194.418   15.725 4.259766 21.66932 
1 1 1  -19    0    7 o  152.900   10.624  294.755   40.313  290.040   55.663  299.957   58.463  150.946   14.964  153.431   15.470 -2.484756 21.52302 
1 1 1  -19    0    8 o  343.948   12.353  1487.15  106.097  1477.49  149.223  1497.03  150.879  341.217   17.572  343.447   17.652 -2.230011 24.90732 
1 1 1  -19    0    9 o  124.012   10.584  194.374   32.463  203.111   44.734  184.654   47.184  126.150   14.462  119.862   16.177 6.287766 21.69878 
1 1 1  -19    0   10 o  350.375   12.545  1543.75  109.762  1623.78  154.999  1463.24  155.456  358.191   17.329  339.253   18.419 18.93820 25.28909 
1 1 1  -19    0   11 o  418.935   14.829  2213.43  155.133  2357.44  219.433  2069.52  219.348  430.432   20.415  402.161   21.924 28.27167 29.95732 
1 1 1  -19    0   12 o  235.745   10.567  697.492   62.209  723.423   87.649  671.170   88.309  239.064   14.754  230.080   15.460 8.983978 21.37029 
1 1 1  -19    0   13 o  189.703   11.024  453.380   51.999  497.389   73.124  408.359   73.960  198.024   14.896  178.928   16.747 19.09653 22.41386 
1 1 1  -19    0   14 o  207.214   15.045  544.614   77.319  660.366  127.032  476.497   97.449  226.149   22.806  192.399   20.603 33.74960 30.73383 
1 1 1  -19    0   15 o  282.565   11.738  1003.51   82.827  1039.17  116.693  967.307  117.582  286.197   16.396  275.884   17.152 10.31384 23.72832 
1 1 1  -19    0   16 o  257.924   11.249  835.773   72.450  826.687  102.399  844.881  102.521  255.194   16.152  258.040   15.989 -2.845215 22.72712 
1 1 1  -19    0   17 o  162.408   10.786  332.689   43.497  333.263   61.240  332.105   61.790  161.720   15.348  161.400   15.522 0.3197479 21.82907 
1 1 1  -19    0   18 o  223.454   10.889  627.261   60.762  659.552   86.442  595.723   85.428  227.972   15.273  216.457   15.916 11.51497 22.05830 
1 1 1  -19    0   19 o  125.820   15.040  202.776   46.318  185.018  109.688  206.630   51.097  116.868   34.909  126.699   16.545 -9.831009 38.63123 
1 1 1  -19    0   20 o  236.518   13.777  708.132   81.016  557.435  157.871  762.005   94.393  203.502   32.132  244.941   15.512 -41.43901 35.68081 
1 1 1  -19    0   21 o   36.418   15.888  -5.0699   27.236 -33.8679  109.449  -3.1688   28.121   69.359   30.975   37.655   16.288 31.70329 34.99632 
1 1 1  -19    0   22 o  125.342   34.295  217.661  110.459   0.0000   0.0000  217.661  110.459  ?   ?   125.342   34.295 0.000000 34.29535 
1 1 1  -19    0   23 o  205.676   20.886  548.981  105.784  601.804  163.298  510.785  138.858  210.362   32.103  194.765   29.472 15.59683 43.57945 
1 1 1  -19    0   24 o  285.645   14.166  1034.33  101.048  1208.08  202.393  976.639  116.623  301.687   27.156  276.169   16.993 25.51733 32.03466 
1 1 1  -19    0   25 o   63.456   19.616   52.026   34.234  113.829  122.680   46.807   35.650   98.277   36.899   61.242   20.140 37.03494 42.03695 
1 1 1  -19    0   26 o  114.742   16.631  171.967   46.264  104.449  134.827  180.977   49.255   97.541   38.153  117.564   17.294 -20.02262 41.88938 
1 1 1  -19    0   27 o   94.700   17.957  119.384   40.911   19.839  138.223  128.942   42.831   83.193   36.047   98.470   18.085 -15.27697 40.32947 
1 1 1  -19    0   28 o  321.111   18.982  1349.33  151.534  1518.31  252.420  1254.11  189.476  328.452   31.148  304.342   25.157 24.10971 40.03787 
1 1 1  -19    0   29 f  148.700   14.337  286.484   52.577  406.270  161.213  272.226   55.619  160.115   40.339  144.410   15.675 15.70486 43.27695 
1 1 1  -19    0   30 o  118.782   16.014  186.161   46.291  344.370  163.515  172.376   48.266  143.340   42.578  113.618   17.579 29.72279 46.06451 
1 1 1  -19    0   31 o  203.144   14.081  535.354   70.992  905.967  200.156  482.022   75.928  245.401   33.540  191.663   16.011 53.73839 37.16549 
1 1 1  -19    0   32 o  123.481   16.039  202.427   48.290  350.155  181.063  191.115   50.105  137.863   45.390  119.358   17.316 18.50560 48.58092 
1 1 1  -19    0   33 o  137.129   37.567  314.440  132.445   0.0000   0.0000  314.440  132.445  ?   ?   137.129   37.567 0.000000 37.56739 
1 1 1  -19    0   34 o   93.633   34.543  136.734  106.588   0.0000   0.0000  136.734  106.588  ?   ?    93.633   34.543 0.000000 34.54255 
1 1 1  -19    0   35 o  109.669   36.448  210.449  116.648   0.0000   0.0000  210.449  116.648  ?   ?   109.669   36.448 0.000000 36.44788 
1 1 1  -19    0   36 o  105.574   36.831  203.839  119.348   0.0000   0.0000  203.839  119.348  ?   ?   105.574   36.831 0.000000 36.83067 
1 1 1  -19    1    1 o  361.000   13.004  1639.43  117.230  1656.59  164.814  1621.86  166.781  361.109   18.337  357.150   18.766 3.959900 26.23755 
1 1 1  -19    1    2 o   92.123   12.564  108.634   28.149  120.840   37.779   93.401   42.205   96.541   16.248   84.077   20.326 12.46418 26.02193 
1 1 1  -19    1    3 o  344.345   12.864  1491.33  110.613  1533.35  155.482  1448.26  157.397  347.518   17.978  337.465   18.751 10.05341 25.97723 
1 1 1  -19    1    4 o  430.440   15.025  2336.43  161.498  2390.89  227.749  2281.36  229.041  433.375   21.045  422.521   21.782 10.85391 30.28736 
1 1 1  -19    1    5 o  242.810   10.461  739.689   63.427  708.780   87.918  773.234   91.592  236.632   14.955  247.207   14.907 -10.57489 21.11566 
1 1 1  -19    1    6 o  235.142   10.272  693.596   60.315  675.173   83.649  713.547   87.050  231.009   14.575  237.470   14.752 -6.460495 20.73806 
1 1 1  -19    1    7 o  178.101   10.456  399.330   46.298  392.967   64.161  406.242   66.873  175.959   14.738  178.853   15.114 -2.894073 21.11024 
1 1 1  -19    1    8 o  450.384   15.040  2558.33  169.152  2434.99  238.313  2683.55  240.130  436.975   21.839  459.121   20.944 -22.14655 30.25935 
1 1 1  -19    1    9 o  229.851   10.342  662.826   59.359  619.672   82.655  708.786   85.300  221.155   15.056  236.709   14.501 -15.55363 20.90345 
1 1 1  -19    1   10 o  366.876   13.981  1695.45  128.084  1769.98  180.788  1620.34  181.491  372.833   19.486  356.316   20.483 16.51660 28.27110 
1 1 1  -19    1   11 o  370.644   13.358  1729.24  123.642  1699.96  174.232  1758.95  175.487  365.462   19.158  371.835   18.962 -6.372955 26.95539 
1 1 1  -19    1   12 o  189.752   10.457  453.178   49.358  448.109   68.693  458.587   70.969  187.944   14.755  190.078   15.075 -2.133636 21.09433 
1 1 1  -19    1   13 o   99.172   12.420  125.570   30.084  126.428   41.319  124.602   43.888   98.530   17.431   97.542   18.698 0.9878311 25.56295 
1 1 1  -19    1   14 o  311.571   17.337  1232.83  134.358  1297.65  200.399  1179.91  181.086  316.620   25.564  302.395   24.183 14.22577 35.18983 
1 1 1  -19    1   15 o  369.872   19.204  1742.57  176.765  1804.84  259.268  1688.48  241.629  372.322   28.093  360.606   27.029 11.71539 38.98436 
1 1 1  -19    1   16 o  223.632   10.204  627.592   56.987  599.106   80.010  656.920   81.185  217.404   14.826  227.803   14.345 -10.39926 20.62962 
1 1 1  -19    1   17 o  190.486   10.425  456.831   49.400  442.362   69.514  471.595   70.215  186.596   15.046  192.773   14.697 -6.177429 21.03286 
1 1 1  -19    1   18 o  230.502   10.281  666.961   59.181  657.236   83.477  676.788   83.912  227.709   14.760  231.118   14.614 -3.409073 20.77108 
1 1 1  -19    1   19 o  169.079   10.841  360.589   45.533  375.668   64.313  345.435   64.474  171.785   15.147  164.511   15.892 7.273209 21.95443 
1 1 1  -19    1   20 o  164.102   14.689  342.797   59.557  345.252  127.263  342.109   67.392  159.026   33.122  163.472   16.745 -4.445267 37.11456 
1 1 1  -19    1   21 o   88.111   18.215  102.261   38.755   57.586  109.899  108.606   41.415   85.411   34.118   90.730   18.893 -5.319374 38.99963 
1 1 1  -19    1   22 o  154.885   16.388  307.652   62.422   0.0000   0.0000  307.652   62.422  ?   ?   154.885   16.388 0.000000 16.38783 
1 1 1  -19    1   24 o  290.889   14.779  1076.00  107.004  1176.72  210.251  1040.80  124.306  297.046   28.702  285.022   17.550 12.02393 33.64215 
1 1 1  -19    1   25 o  152.553   14.849  298.457   55.849  354.349  140.836  288.027   60.838  157.387   36.537  149.350   16.593 8.036392 40.12780 
1 1 1  -19    1   26 o  300.265   14.694  1148.17  110.176  1459.41  221.564  1045.93  126.990  329.961   27.130  284.707   17.954 45.25491 32.53253 
1 1 1  -19    1   27 o  238.286   14.368  726.686   85.096  780.085  183.779  712.113   96.008  236.214   31.978  234.984   16.465 1.229736 35.96800 
1 1 1  -19    1   28 o  174.287   17.145  395.815   73.654  437.102  162.677  385.169   82.606  169.753   39.172  170.767   19.735 -1.013474 43.86231 
1 1 1  -19    1   29 o  103.562   19.034  144.223   47.410  213.232  149.670  136.527   49.984  117.896   41.238  100.116   20.678 17.78019 46.13198 
1 1 1  -19    1   30 o  240.699   14.177  747.643   84.836  1049.91  205.969  685.887   93.099  269.913   31.129  229.276   16.368 40.63661 35.16985 
1 1 1  -19    1   31 o  175.432   14.823  400.837   64.327  506.357  186.608  386.608   68.528  173.359   43.248  171.596   16.183 1.762970 46.17681 
1 1 1  -19    1   32 o   56.983   19.115   41.605   32.072  141.790  170.737   37.941   32.653  101.393   41.770   55.394   19.268 45.99865 46.00007 
1 1 1  -19    1   33 o  119.625   36.107  233.407  116.894   0.0000   0.0000  233.407  116.894  ?   ?   119.625   36.107 0.000000 36.10663 
1 1 1  -19    1   34 o   98.699   36.052  155.054  115.691   0.0000   0.0000  155.054  115.691  ?   ?    98.699   36.052 0.000000 36.05192 
1 1 1  -19    1   35 f  101.118   37.138  172.888  123.009   0.0000   0.0000  172.888  123.009  ?   ?   101.118   37.138 0.000000 37.13837 
1 1 1  -19    1   36 o   82.456   34.271   89.845  116.374   0.0000   0.0000   89.845  116.374  ?   ?    82.456   34.271 0.000000 34.27142 
1 1 1  -19    2    1 o  293.865   11.692  1084.91   85.803  1127.76  120.323  1040.58  122.391  298.343   16.211  286.283   17.200 12.06012 23.63550 
1 1 1  -19    2    2 o  213.761   10.304  573.252   55.005  613.510   76.384  529.889   79.275  220.273   13.959  204.304   15.658 15.96898 20.97632 
1 1 1  -19    2    3 o  173.654   10.402  379.683   44.900  389.132   61.996  369.260   65.115  175.171   14.297  170.382   15.473 4.789291 21.06710 
1 1 1  -19    2    4 o  227.197   10.565  647.720   59.943  654.514   83.148  640.368   86.495  227.395   14.722  224.746   15.507 2.648972 21.38178 
1 1 1  -19    2    5 o  237.650   11.239  709.144   66.698  766.696   93.215  648.765   95.477  246.070   15.245  225.868   17.053 20.20122 22.87381 
1 1 1  -19    2    6 o  367.532   13.270  1699.86  121.789  1697.00  171.490  1702.77  172.992  365.309   18.863  365.883   18.999 -0.5744934 26.77267 
1 1 1  -19    2    7 o  355.775   13.007  1592.39  115.556  1596.33  162.443  1588.35  164.417  354.423   18.417  353.441   18.695 0.9821472 26.24313 
1 1 1  -19    2    8 o  133.596   10.957  225.528   36.232  244.512   49.596  203.800   53.059  138.542   14.553  125.776   17.356 12.76599 22.64976 
1 1 1  -19    2    9 o  463.987   15.112  2715.72  175.101  2601.22  246.516  2832.31  248.760  451.592   21.860  471.554   21.125 -19.96216 30.39938 
1 1 1  -19    2   10 o  192.936   10.716  468.622   51.425  449.580   71.567  488.948   73.943  188.143   15.367  196.292   15.204 -8.148560 21.61669 
1 1 1  -19    2   11 o  322.915   13.293  1312.46  107.190  1362.67  150.951  1261.39  152.235  327.299   18.545  314.562   19.476 12.73706 26.89309 
1 1 1  -19    2   12 o  214.730   10.187  578.456   54.622  527.167   75.748  634.019   78.840  203.896   14.982  223.875   14.176 -19.97813 20.62520 
1 1 1  -19    2   13 o   69.470   15.279   63.250   25.785   61.295   34.522   65.716   38.781   68.546   19.331   71.100   20.631 -2.554367 28.27276 
1 1 1  -19    2   14 o  407.780   20.909  2123.89  212.205  2032.54  306.707  2207.77  293.908  393.358   31.488  411.712   28.768 -18.35437 42.65043 
1 1 1  -19    2   15 o  268.588   16.583  915.802  110.680  914.771  168.029  916.593  147.101  265.439   25.670  266.961   22.269 -1.522278 33.98311 
1 1 1  -19    2   16 o  189.304   10.970  451.525   51.635  459.602   72.629  443.271   73.422  190.166   15.427  186.631   15.906 3.534851 22.15844 
1 1 1  -19    2   17 f  187.572   10.844  443.286   50.578  428.905   70.938  458.157   72.134  183.602   15.621  189.862   15.346 -6.260056 21.89725 
1 1 1  -19    2   18 o  162.833   10.583  334.307   42.799  349.967   59.717  317.768   61.370  165.918   14.560  157.785   15.787 8.132584 21.47642 
1 1 1  -19    2   19 o  387.178   12.822  1887.66  123.966  1825.40  175.349  1949.88  175.279  379.002   18.527  391.936   17.909 -12.93414 25.76781 
1 1 1  -19    2   20 o  123.479   11.580  193.389   35.288  212.149   49.440  173.905   50.384  128.582   15.725  115.715   18.023 12.86676 23.91895 
1 1 1  -19    2   21 f   82.918   19.184   91.017   38.934   25.583  110.990  100.199   41.576   79.595   33.308   86.985   19.609 -7.389771 38.65148 
1 1 1  -19    2   22 o   70.670   31.162 -19.8554  107.295 -19.8554  107.295   0.0000   0.0000   70.670   31.162  ?   ?  0.000000 31.16165 
1 1 1  -19    2   23 o  169.052   31.077  388.803  126.357   0.0000   0.0000  388.803  126.357  ?   ?   169.052   31.077 0.000000 31.07685 
1 1 1  -19    2   24 f  238.377   14.794  723.128   87.630  576.002  177.031  770.878  100.853  203.279   36.201  245.581   16.542 -42.30243 39.80161 
1 1 1  -19    2   25 o  338.580   15.720  1459.36  132.915  1452.83  252.155  1461.88  156.409  327.574   31.202  337.085   18.654 -9.510681 36.35314 
1 1 1  -19    2   26 o  383.932   16.771  1886.53  160.794  1905.59  299.599  1878.82  190.565  372.494   32.535  380.642   20.120 -8.147766 38.25342 
1 1 1  -19    2   27 o  286.628   14.864  1051.13  106.023  955.288  211.960  1083.11  122.442  261.103   33.263  289.906   16.987 -28.80270 37.34998 
1 1 1  -19    2   28 o  273.931   14.236  960.854   97.049  1346.24  209.309  855.311  109.535  314.840   26.880  256.950   17.170 57.89001 31.89562 
1 1 1  -19    2   29 f  109.470   18.396  159.792   48.505  353.023  150.400  137.360   51.244  150.906   39.463  100.386   21.111 50.52015 44.75519 
1 1 1  -19    2   30 o  226.797   14.262  663.469   80.363  894.593  194.173  615.697   88.278  248.767   31.999  217.339   16.386 31.42818 35.95013 
1 1 1  -19    2   31 o  151.849   15.708  302.037   58.702  350.614  176.051  295.961   62.265  142.618   44.549  149.734   16.951 -7.115570 47.66447 
1 1 1  -19    2   32 o   80.425   19.819   89.452   39.547   57.157  169.499   91.312   40.669   90.054   39.453   81.171   20.156 8.883125 44.30379 
1 1 1  -19    2   33 o   90.422   18.855  112.332   41.196  227.949  190.674  106.671   42.192  114.837   45.233   87.735   19.736 27.10218 49.35134 
1 1 1  -19    2   34 o  104.077   36.189  174.967  115.177   0.0000   0.0000  174.967  115.177  ?   ?   104.077   36.189 0.000000 36.18853 
1 1 1  -19    2   35 o   67.011   30.110  -2.3289  105.122   0.0000   0.0000  -2.3289  105.122  ?   ?    67.011   30.110 0.000000 30.11042 
1 1 1  -19    2   36 o   88.279   35.113  116.915  115.946   0.0000   0.0000  116.915  115.946  ?   ?    88.279   35.113 0.000000 35.11343 
1 1 1  -19    2   37 o   73.751   32.172   46.483  111.632   0.0000   0.0000   46.483  111.632  ?   ?    73.751   32.172 0.000000 32.17165 
1 1 1  -19    3    1 o  368.687   13.252  1710.97  122.006  1772.84  171.621  1647.75  173.478  373.909   18.380  359.674   19.386 14.23465 26.71443 
1 1 1  -19    3    2 o  172.519   10.552  374.890   45.242  403.238   62.418  343.511   65.669  178.352   14.130  164.106   16.237 14.24577 21.52483 
1 1 1  -19    3    3 o  187.091   10.657  440.711   49.585  463.700   68.466  415.353   71.909  191.276   14.440  180.632   16.111 10.64404 21.63518 
1 1 1  -19    3    4 o   98.899   12.331  124.831   29.792  110.668   39.915  142.646   44.766   91.936   18.030  104.753   17.747 -12.81768 25.29917 
1 1 1  -19    3    5 o  242.035   11.347  735.698   68.582  789.920   95.924  678.996   98.093  249.715   15.459  231.060   17.122 18.65491 23.06826 
1 1 1  -19    3    6 o  248.887   11.402  777.983   70.867  825.350   99.256  728.730  101.213  255.231   15.649  239.439   17.039 15.79158 23.13429 
1 1 1  -19    3    7 f  292.280   12.131  1073.74   88.541  1099.57  124.224  1047.07  126.232  294.376   16.971  287.037   17.697 7.338257 24.51925 
1 1 1  -19    3    8 o  203.322   10.877  520.388   55.024  549.577   76.355  488.853   79.364  208.264   14.778  196.027   16.362 12.23604 22.04767 
1 1 1  -19    3    9 o  428.674   14.645  2316.77  156.772  2366.11  220.851  2266.65  222.577  431.222   20.509  421.284   21.225 9.938324 29.51494 
1 1 1  -19    3   10 o  229.414   10.857  660.671   62.200  678.324   86.699  641.950   89.286  231.408   15.086  224.890   16.003 6.518661 21.99277 
1 1 1  -19    3   11 o  184.087   10.489  426.612   48.019  440.000   66.601  412.117   69.299  186.294   14.429  180.031   15.568 6.262390 21.22594 
1 1 1  -19    3   12 o  244.895   10.810  752.849   66.108  709.428   92.121  798.953   94.925  236.529   15.685  251.181   15.205 -14.65248 21.84551 
1 1 1  -19    3   13 o  215.545   15.473  589.435   82.729  585.238  128.308  592.422  108.231  212.223   24.671  214.846   20.419 -2.623108 32.02488 
1 1 1  -19    3   14 o  204.605   15.964  532.019   80.921  413.944  125.184  616.768  106.057  176.447   29.449  219.477   19.556 -43.02922 35.35055 
1 1 1  -19    3   15 o   95.066   18.933  118.642   43.366  164.444   88.102  103.995   49.820  110.592   30.775   88.528   22.491 22.06339 38.11714 
1 1 1  -19    3   16 o  218.176   10.568  597.535   57.577  574.721   80.734  621.149   82.136  212.820   15.293  221.368   14.946 -8.547897 21.38368 
1 1 1  -19    3   17 o   70.136   15.332   64.499   26.104   56.533   34.865   74.660   39.377   66.186   19.661   75.313   20.423 -9.126762 28.34869 
1 1 1  -19    3   18 o  131.615   11.690  219.448   38.021  228.693   52.505  209.256   55.130  133.553   16.066  127.270   17.836 6.282784 24.00519 
1 1 1  -19    3   19 o  378.687   13.370  1806.99  126.430  1788.04  178.555  1826.05  179.045  374.441   19.160  378.951   18.920 -4.509552 26.92736 
1 1 1  -19    3   20 o   88.030   13.935  100.077   29.613  127.551   40.093   67.096   43.927   99.018   16.816   72.253   22.201 26.76502 27.85061 
1 1 1  -19    3   21 o  119.597   12.268  181.926   36.122  159.274   52.057  202.960   50.164  110.216   19.634  125.548   16.392 -15.33199 25.57658 
1 1 1  -19    3   22 o  203.201   11.242  520.939   56.822  526.984   80.183  514.841   80.534  203.335   15.918  200.894   16.191 2.440292 22.70541 
1 1 1  -19    3   23 o  228.011   28.140  690.217  156.827   0.0000   0.0000  690.217  156.827  ?   ?   228.011   28.140 0.000000 28.14023 
1 1 1  -19    3   24 o  338.914   29.733  1531.34  249.095   0.0000   0.0000  1531.34  249.095  ?   ?   338.914   29.733 0.000000 29.73279 
1 1 1  -19    3   25 o  206.840   14.316  545.089   73.488  497.376  158.182  558.222   82.988  188.674   34.857  208.802   16.038 -20.12711 38.36993 
1 1 1  -19    3   26 o  264.666   14.937  894.138   98.320  990.956  198.904  862.832  113.104  270.150   29.990  258.884   17.600 11.26648 34.77300 
1 1 1  -19    3   27 o  122.233   16.079  194.239   47.887  259.417  138.916  185.449   51.014  132.454   39.222  118.893   17.724 13.56107 43.04097 
1 1 1  -19    3   28 o  246.414   14.630  778.444   89.619  933.970  196.365  737.527  100.720  258.968   30.980  238.740   17.006 20.22786 35.34010 
1 1 1  -19    3   29 o  187.045   14.559  450.772   67.469  534.810  169.094  434.860   73.579  189.476   37.065  182.994   16.271 6.481934 40.47920 
1 1 1  -19    3   30 o  141.901   18.112  266.484   62.717  200.063  160.348  278.480   68.145  114.899   42.371  144.540   19.367 -29.64115 46.58754 
1 1 1  -19    3   31 o  164.373   15.011  351.654   60.936  434.399  174.244  340.124   65.043  162.197   42.505  161.005   16.407 1.191879 45.56197 
1 1 1  -19    3   32 o  115.447   17.369  178.098   48.521   53.408  173.214  188.716   50.545   90.563   39.774  118.812   17.566 -28.24883 43.48056 
1 1 1  -19    3   33 o   91.697   19.266  115.615   42.714  242.323  190.555  108.912   43.829  117.948   45.573   88.579   20.255 29.36849 49.87106 
1 1 1  -19    3   34 o  141.958   16.542  268.146   57.541  354.846  199.242  260.256   60.102  134.936   47.553  139.234   17.685 -4.297897 50.73530 
1 1 1  -19    3   35 o  158.986   37.472  421.621  146.335   0.0000   0.0000  421.621  146.335  ?   ?   158.986   37.472 0.000000 37.47154 
1 1 1  -19    3   36 o  187.603   35.423  577.451  159.869   0.0000   0.0000  577.451  159.869  ?   ?   187.603   35.423 0.000000 35.42348 
1 1 1  -19    3   37 o  120.835   38.870  272.674  133.176   0.0000   0.0000  272.674  133.176  ?   ?   120.835   38.870 0.000000 38.86974 
1 1 1  -19    4    1 o  276.520   11.520  960.682   79.550  1018.90  110.962  899.125  114.104  283.595   15.730  265.949   17.275 17.64520 23.36346 
1 1 1  -19    4    2 o  377.086   13.737  1791.07  129.351  1916.47  182.010  1663.11  183.865  388.598   18.756  360.895   20.486 27.70282 27.77549 
1 1 1  -19    4    3 o  240.908   11.086  728.774   66.690  806.139   93.004  646.891   95.681  252.388   14.821  225.465   17.122 26.92336 22.64587 
1 1 1  -19    4    4 o  192.372   10.900  466.063   52.145  505.563   72.088  422.713   75.520  199.734   14.553  182.072   16.799 17.66170 22.22648 
1 1 1  -19    4    5 o  209.016   10.740  549.797   55.868  576.317   77.393  520.938   80.732  213.311   14.617  202.439   16.103 10.87181 21.74777 
1 1 1  -19    4    6 o  167.502   10.644  353.534   44.291  370.649   61.157  334.654   64.231  170.883   14.467  161.986   16.092 8.896042 21.63913 
1 1 1  -19    4    7 o   95.017   12.654  115.510   29.279  125.669   39.193  102.679   44.045   98.420   16.533   88.134   20.414 10.28651 26.26907 
1 1 1  -19    4    8 o  162.008   11.067  331.059   44.505  405.531   61.754  250.582   64.195  178.899   13.933  139.313   18.944 39.58580 23.51606 
1 1 1  -19    4    9 o  239.135   11.154  718.085   66.608  715.170   93.152  721.134   95.279  237.467   15.799  238.388   16.100 -0.9212494 22.55654 
1 1 1  -19    4   10 o  170.351   10.882  365.761   46.050  395.887   63.285  331.861   67.133  176.641   14.474  161.120   16.939 15.52150 22.28065 
1 1 1  -19    4   11 o   95.456   12.627  116.556   29.360  126.018   39.177  104.435   44.343   98.564   16.500   88.886   20.408 9.677589 26.24433 
1 1 1  -19    4   12 o  228.292   10.752  654.208   61.294  674.999   85.262  631.971   88.178  230.869   14.868  223.124   15.930 7.744827 21.79077 
1 1 1  -19    4   13 o  170.320   15.590  369.253   65.574  400.975  107.549  350.484   82.729  174.961   25.355  164.731   20.559 10.22984 32.64231 
1 1 1  -19    4   14 o  246.415   16.189  770.646   99.064  726.688  150.122  804.552  131.845  236.295   25.864  250.348   21.292 -14.05287 33.50029 
1 1 1  -19    4   15 f  170.534   10.583  366.425   44.845  321.017   61.513  417.937   65.517  158.663   15.733  181.474   14.580 -22.81064 21.45021 
1 1 1  -19    4   16 o  145.950   10.640  268.815   38.513  237.993   52.595  304.448   56.551  136.379   15.732  154.648   14.825 -18.26874 21.61682 
1 1 1  -19    4   17 o   97.682   12.678  122.039   30.197  148.273   40.785   90.207   44.926  107.238   15.694   82.554   21.559 24.68443 26.66616 
1 1 1  -19    4   18 o  203.835   10.921  523.339   55.386  537.942   77.606  508.180   79.070  205.835   15.206  199.854   15.977 5.980591 22.05637 
1 1 1  -19    4   19 o  350.866   13.633  1551.77  119.449  1611.93  169.045  1491.77  168.810  355.501   19.112  341.664   19.871 13.83722 27.57061 
1 1 1  -19    4   20 o   57.464   20.835   35.241   38.537   0.0000   0.0000   35.241   38.537  ?   ?    57.464   20.835 0.000000 20.83514 
1 1 1  -19    4   21 o  234.662   16.675  701.463   97.079  701.463   97.079   0.0000   0.0000  234.662   16.675  ?   ?  0.000000 16.67519 
1 1 1  -19    4   22 o  244.510   11.506  752.254   70.256  720.256   98.647  785.190  100.081  237.682   16.727  248.360   16.226 -10.67831 23.30396 
1 1 1  -19    4   23 o  210.722   11.336  560.465   59.430  568.614   84.011  552.303   84.082  211.121   16.055  207.980   16.320 3.140350 22.89383 
1 1 1  -19    4   24 o  282.186   28.410  1057.72  197.474   0.0000   0.0000  1057.72  197.474  ?   ?   282.186   28.410 0.000000 28.40983 
1 1 1  -19    4   25 o  109.632   17.754  157.273   46.943   83.993  129.908  168.279   50.345   94.129   37.254  113.298   18.428 -19.16956 41.56203 
1 1 1  -19    4   26 o  278.928   14.634  991.580  101.576  1126.09  204.790  947.691  116.979  289.253   28.732  271.555   17.341 17.69803 33.55931 
1 1 1  -19    4   27 o  129.591   16.194  217.955   51.262  146.742  139.038  229.158   55.147  106.732   39.437  132.665   17.040 -25.93279 42.96058 
1 1 1  -19    4   28 o  155.756   15.222  313.107   58.450  300.843  152.766  315.210   63.264  140.547   40.995  155.843   16.507 -15.29596 44.19372 
1 1 1  -19    4   29 o  193.837   14.552  483.563   69.924  602.319  172.228  460.125   76.513  203.277   35.203  188.284   16.438 14.99371 38.85212 
1 1 1  -19    4   30 o  175.514   16.740  402.361   72.479  717.481  178.623  340.252   79.300  222.380   33.181  159.602   20.361 62.77809 38.92989 
1 1 1  -19    4   31 o   99.192   18.249  132.452   43.538   62.709  164.028  137.738   45.158   91.720   39.505  101.076   18.576 -9.355301 43.65468 
1 1 1  -19    4   32 o  195.510   15.060  497.584   72.962  460.469  197.819  503.428   78.496  161.384   46.529  196.053   16.178 -34.66882 49.26107 
1 1 1  -19    4   33 o   92.817   19.453  118.374   43.646  115.512  185.550  118.542   44.906   99.400   42.395   92.678   19.991 6.721977 46.87201 
1 1 1  -19    4   34 o   70.510   20.455   68.829   38.124  128.890  196.270   66.474   38.864  100.705   43.293   69.416   20.790 31.28912 48.02635 
1 1 1  -19    4   35 o  325.869   34.284  1657.48  274.805   0.0000   0.0000  1657.48  274.805  ?   ?   325.869   34.284 0.000000 34.28417 
1 1 1  -19    4   36 o  122.945   39.768  272.421  139.253   0.0000   0.0000  272.421  139.253  ?   ?   122.945   39.768 0.000000 39.76752 
1 1 1  -19    4   37 o  110.421   38.974  224.617  133.885   0.0000   0.0000  224.617  133.885  ?   ?   110.421   38.974 0.000000 38.97412 
1 1 1  -19    5    1 o  282.603   11.671  1003.73   82.363  1066.78  114.591  936.353  118.463  290.123   15.877  271.291   17.581 18.83194 23.68901 
1 1 1  -19    5    2 o  165.169   10.551  343.806   43.292  363.684   58.877  320.410   63.876  169.305   14.053  158.366   16.389 10.93842 21.58919 
1 1 1  -19    5    3 o  125.546   11.311  199.569   35.080  223.287   47.268  170.489   52.340  132.293   14.548  114.436   18.981 17.85632 23.91473 
1 1 1  -19    5    4 o  272.614   11.591  933.805   78.909  996.274  110.274  868.254  112.962  280.398   15.813  261.288   17.412 19.10977 23.52128 
1 1 1  -19    5    5 o  319.625   12.490  1284.88   99.693  1367.44  139.953  1199.83  142.046  328.258   17.133  306.973   18.618 21.28580 25.30140 
1 1 1  -19    5    6 o  273.616   11.182  940.214   76.406  986.603  106.711  891.416  109.448  279.158   15.367  264.993   16.624 14.16489 22.63826 
1 1 1  -19    5    7 o  201.227   11.034  509.948   55.233  496.865   76.407  524.267   79.935  197.775   15.597  203.124   15.885 -5.349670 22.26265 
1 1 1  -19    5    8 o  237.003   10.842  705.171   64.170  687.181   88.720  724.906   92.926  232.840   15.345  239.102   15.650 -6.262100 21.91735 
1 1 1  -19    5    9 o  184.383   10.888  428.282   49.911  481.296   69.203  370.813   72.052  194.899   14.319  170.344   17.173 24.55496 22.35916 
1 1 1  -19    5   10 o  190.522   10.850  457.151   51.408  522.852   71.337  386.168   74.149  203.215   14.146  173.836   17.311 29.37906 22.35586 
1 1 1  -19    5   11 o  236.839   11.287  704.517   66.756  723.686   92.571  683.747   96.357  238.910   15.602  231.925   16.750 6.984726 22.89075 
1 1 1  -19    5   12 o  223.113   15.656  631.620   86.675  607.662  131.956  649.801  114.951  216.205   24.895  225.000   20.691 -8.795105 32.37088 
1 1 1  -19    5   13 o  154.929   16.248  306.601   61.925  176.782   98.723  390.813   79.513  114.581   32.822  174.587   18.521 -60.00521 37.68684 
1 1 1  -19    5   14 o  282.057   16.580  1009.58  116.265  1081.07  173.994  951.907  156.277  289.299   24.310  271.742   23.254 17.55704 33.64072 
1 1 1  -19    5   15 o  170.680   11.034  367.349   46.778  345.233   64.647  391.656   67.773  164.546   15.933  175.417   15.636 -10.87088 22.32296 
1 1 1  -19    5   16 o  165.889   11.046  347.137   45.499  314.491   62.643  383.588   66.193  156.905   16.222  173.617   15.428 -16.71198 22.38722 
1 1 1  -19    5   17 o  216.366   10.372  587.619   56.040  517.430   77.622  664.028   80.990  201.801   15.522  229.044   14.230 -27.24277 21.05811 
1 1 1  -19    5   18 o  322.951   12.690  1312.79  102.343  1286.53  144.028  1339.57  145.451  317.858   18.221  324.431   18.024 -6.572601 25.62989 
1 1 1  -19    5   19 o  255.101   12.305  818.872   78.387  882.051  110.511  754.899  111.203  263.344   16.894  243.102   18.456 20.24239 25.02042 
1 1 1  -19    5   20 o   78.643   15.392   80.816   29.145  104.278   38.384   48.870   44.789   89.111   17.871   64.880   22.567 24.23132 28.78576 
1 1 1  -19    5   21 o  206.854   11.493  539.785   59.135  527.007   82.684  553.165   84.608  203.300   16.427  208.322   16.396 -5.022217 23.20968 
1 1 1  -19    5   22 o  204.421   12.124  528.041   61.612  521.422   86.239  534.941   88.053  201.903   17.271  204.482   17.410 -2.579773 24.52302 
1 1 1  -19    5   23 o  294.442   11.182  1090.95   82.222  977.631  115.409  1207.75  117.170  276.913   16.769  308.791   15.195 -31.87814 22.62907 
1 1 1  -19    5   24 o  146.436   16.487  275.919   59.239  296.965   67.618  206.436  122.861  151.502   18.239  121.861   37.070 29.64060 41.31367 
1 1 1  -19    5   25 o   83.407   30.543   79.434   83.110   17.667  128.477  123.879  108.984   82.265   35.187   99.269   35.150 -17.00359 49.73574 
1 1 1  -19    5   26 o  231.837   14.278  684.980   82.258  929.506  177.732  618.324   92.795  263.540   27.407  219.259   17.083 44.28148 32.29526 
1 1 1  -19    5   27 o  201.517   14.540  519.569   72.676  504.740  165.013  523.138   80.950  187.415   36.571  201.625   16.215 -14.21060 40.00488 
1 1 1  -19    5   28 o   76.058   20.186   77.966   38.977 -102.9227  134.797   94.470   40.716   67.586   31.686   83.690   19.793 -16.10310 37.35970 
1 1 1  -19    5   29 o  139.778   15.589  253.740   53.488  307.812  150.736  245.950   57.211  141.167   40.592  137.067   17.086 4.100647 44.04085 
1 1 1  -19    5   30 o  141.270   17.794  263.111   61.379  364.629  171.503  248.198   65.733  150.037   43.343  136.269   19.904 13.76846 47.69440 
1 1 1  -19    5   31 o  152.381   17.903  307.022   66.828  462.310  181.455  282.654   71.881  167.971   43.059  144.942   20.426 23.02847 47.65787 
1 1 1  -19    5   32 o  278.463   15.617  1008.75  108.156  1156.82  241.731  971.685  120.937  276.324   35.878  271.557   17.935 4.766937 40.11142 
1 1 1  -19    5   33 o  126.391   18.160  214.268   55.672 -100.2732  188.643  244.277   58.267   77.832   36.796  135.326   17.664 -57.49343 40.81574 
1 1 1  -19    5   34 o   97.615   19.232  130.772   45.213  298.597  201.719  121.895   46.393  126.405   47.343   93.684   20.408 32.72047 51.55435 
1 1 1  -19    5   35 o  162.843   16.171  351.505   64.890  561.171  224.930  332.471   67.772  167.779   49.961  157.554   17.522 10.22542 52.94476 
1 1 1  -19    5   36 o   59.779   28.546 -99.4443  119.339   0.0000   0.0000 -99.4443  119.339  ?   ?    59.779   28.546 0.000000 28.54573 
1 1 1  -19    5   37 o   94.693   37.716  144.831  133.936   0.0000   0.0000  144.831  133.936  ?   ?    94.693   37.716 0.000000 37.71572 
1 1 1  -19    6    1 o  303.844   12.134  1161.10   92.069  1132.75  128.235  1191.26  132.268  298.531   17.275  306.138   17.373 -7.607147 24.50031 
1 1 1  -19    6    2 o  178.318   10.798  400.719   47.856  404.603   64.982  396.117   70.742  178.484   14.710  176.261   16.255 2.223267 21.92327 
1 1 1  -19    6    3 o  265.652   10.965  886.281   72.742  801.932  100.299  979.880  105.656  251.370   16.062  278.168   15.269 -26.79764 22.16149 
1 1 1  -19    6    4 o  252.093   11.074  798.170   69.712  803.003   96.463  792.887  100.859  251.707   15.421  249.906   16.250 1.800735 22.40243 
1 1 1  -19    6    5 o  309.136   12.278  1201.81   94.780  1257.90  132.909  1143.78  135.199  314.806   16.969  299.791   18.145 15.01526 24.84356 
1 1 1  -19    6    6 o  145.464   10.837  267.119   39.084  251.453   52.822  286.072   58.100  140.326   15.323  149.682   15.782 -9.356400 21.99667 
1 1 1  -19    6    7 o  362.035   13.522  1650.68  122.247  1748.30  171.822  1550.61  173.964  371.190   18.537  348.552   20.072 22.63766 27.32180 
1 1 1  -19    6    8 o  215.519   11.157  584.893   59.841  659.090   83.582  506.865   85.713  228.124   14.751  199.339   17.393 28.78503 22.80601 
1 1 1  -19    6    9 o  163.859   11.013  338.651   44.801  354.282   61.147  320.534   65.830  166.949   14.821  158.298   16.915 8.651550 22.48959 
1 1 1  -19    6   10 o  205.928   12.185  535.007   62.384  558.267   78.079  493.947  103.739  209.824   15.000  195.654   21.592 14.17009 26.29135 
1 1 1  -19    6   11 o  272.472   16.523  942.198  111.895  934.648  165.781  948.515  151.649  268.612   25.002  271.511   22.571 -2.898376 33.68320 
1 1 1  -19    6   12 o  209.247   15.888  556.275   82.400  469.171  125.946  621.462  108.954  188.734   27.534  220.162   20.037 -31.42810 34.05249 
1 1 1  -19    6   13 o  108.465   17.938  152.902   46.887  172.216   82.925  143.825   56.847  113.076   29.174  104.167   22.511 8.909111 36.84863 
1 1 1  -19    6   14 o  127.352   11.791  205.556   37.071  184.497   50.162  230.898   55.027  119.520   17.311  134.080   16.804 -14.55994 24.12524 
1 1 1  -19    6   15 o  146.856   11.159  272.437   40.618  245.737   55.076  304.273   60.142  138.501   16.232  154.397   15.822 -15.89626 22.66755 
1 1 1  -19    6   16 o  223.317   10.733  626.192   59.853  597.346   82.795  657.769   86.625  216.948   15.382  227.721   15.322 -10.77289 21.71158 
1 1 1  -19    6   17 o  140.253   11.257  248.719   39.096  243.289   53.405  254.989   57.389  137.870   15.797  141.008   16.617 -3.137848 22.92736 
1 1 1  -19    6   18 o  181.091   10.798  413.322   48.610  344.620   66.652  491.381   71.047  164.220   16.475  196.805   14.560 -32.58447 21.98673 
1 1 1  -19    6   19 f  273.889   17.856  955.932  121.459   0.0000   0.0000  955.932  121.459  ?   ?   273.889   17.856 0.000000 17.85611 
1 1 1  -19    6   20 o  113.798   13.301  165.375   37.084  168.615   46.436  159.671   61.618  114.192   16.785  109.560   23.242 4.631630 28.66930 
1 1 1  -19    6   21 o  256.087   11.898  825.294   76.085  779.055  106.348  873.775  108.897  247.150   17.341  261.994   16.732 -14.84473 24.09714 
1 1 1  -19    6   22 o  118.871   12.223  179.803   35.765  179.677   48.430  179.955   53.044  117.827   16.947  117.488   18.707 0.3395081 25.24193 
1 1 1  -19    6   23 o  311.614   12.628  1224.58   98.267  1133.96  137.997  1317.81  139.965  297.573   18.665  321.342   17.508 -23.76910 25.59143 
1 1 1  -19    6   24 o   83.458   18.764   92.431   38.156   99.168   40.651   42.546  110.618   86.396   19.326   82.104   33.699 4.292519 38.84699 
1 1 1  -19    6   25 o   82.914   17.942   91.139   36.069   93.142   38.042   73.308  113.485   83.706   18.674   88.579   34.895 -4.873138 39.57714 
1 1 1  -19    6   26 f  263.386   15.359  886.027  100.584  674.661  193.415  964.379  117.760  218.443   36.763  274.013   17.299 -55.57047 40.62910 
1 1 1  -19    6   27 o  271.820   14.686  943.578   99.314  1259.23  202.186  843.201  114.016  306.677   26.666  255.484   17.986 51.19218 32.16509 
1 1 1  -19    6   28 o  195.699   15.194  492.356   73.672  528.062  168.606  483.931   81.904  190.580   36.760  193.253   17.150 -2.672882 40.56389 
1 1 1  -19    6   29 o  171.598   15.211  380.250   64.505  298.587  164.715  395.043   70.105  138.012   43.087  174.518   16.274 -36.50536 46.05816 
1 1 1  -19    6   30 o  105.298   17.904  147.687   45.393  535.676  166.318  116.460   47.184  189.486   36.473   92.306   20.949 97.17941 42.06105 
1 1 1  -19    6   31 o  200.832   17.977  530.592   89.202  617.153  196.729  508.190  100.081  197.533   41.215  194.808   20.899 2.725388 46.21108 
1 1 1  -19    6   32 o   96.457   19.486  126.853   45.320  137.413  176.683  126.109   46.889  103.434   42.537   95.894   20.217 7.539711 47.09710 
1 1 1  -19    6   33 f  190.135   15.853  473.393   74.586  471.112  203.115  473.748   80.188  161.546   47.314  189.477   17.133 -27.93109 50.31997 
1 1 1  -19    6   34 o   68.633   20.947   64.476   39.183  219.239  197.770   58.153   39.976  114.258   45.723   65.850   21.308 48.40772 50.44426 
1 1 1  -19    6   35 o  186.791   16.633  462.505   76.773  339.718  227.525  478.281   81.556  129.315   49.844  189.436   17.436 -60.12141 52.80593 
1 1 1  -19    6   36 o  118.628   40.711  251.937  145.531   0.0000   0.0000  251.937  145.531  ?   ?   118.628   40.711 0.000000 40.71081 
1 1 1  -19    6   37 o   99.156   39.229  165.170  144.004   0.0000   0.0000  165.170  144.004  ?   ?    99.156   39.229 0.000000 39.22911 
1 1 1  -19    7    1 o  333.649   17.820  1416.26  147.939  1511.73  213.276  1327.72  205.383  341.645   25.176  319.709   25.949 21.93515 36.15501 
1 1 1  -19    7    2 f  393.276   19.592  1968.47  192.409  2112.65  275.751  1831.66  268.604  402.867   27.576  374.208   28.970 28.65900 39.99574 
1 1 1  -19    7    3 o  206.794   15.301  543.013   78.455  573.697  118.301  518.922  104.822  210.489   22.875  200.575   21.252 9.913574 31.22311 
1 1 1  -19    7    4 o  251.283   15.766  801.078   98.429  828.070  144.768  777.872  134.228  253.230   23.149  245.732   22.111 7.497589 32.01207 
1 1 1  -19    7    5 f  317.170   17.412  1278.34  137.381  1324.25  198.626  1236.22  190.219  319.897   25.065  309.113   24.853 10.78348 35.29729 
1 1 1  -19    7    6 o  342.782   18.103  1494.40  154.414  1579.51  223.046  1416.07  213.986  349.226   25.758  330.392   26.150 18.83429 36.70541 
1 1 1  -19    7    7 o  130.874   16.430  219.903   52.513  220.217   85.310  219.712   66.633  128.214   27.472  129.647   21.323 -1.432709 34.77578 
1 1 1  -19    7    8 o  227.382   15.661  656.155   88.383  645.405  132.449  664.784  118.669  223.048   24.166  227.393   21.140 -4.345734 32.10764 
1 1 1  -19    7    9 o  106.197   18.382  147.000   46.983  155.950   81.520  142.548   57.491  107.755   29.454  103.626   22.833 4.129738 37.26731 
1 1 1  -19    7   10 o   91.972   20.313  111.773   45.407  129.827   85.350  104.646   53.626   99.616   31.002   88.808   23.729 10.80769 39.04086 
1 1 1  -19    7   11 o  249.177   16.481  788.633  101.971  674.580  151.577  882.921  137.819  226.968   27.291  262.298   21.223 -35.32980 34.57141 
1 1 1  -19    7   12 o  156.609   16.007  313.108   61.722  300.256  101.704  320.602   77.658  150.031   28.181  157.490   20.213 -7.458542 34.68018 
1 1 1  -19    7   13 o  263.738   11.873  874.409   78.198  903.489  108.856  843.401  112.406  266.781   16.419  257.409   17.592 9.372925 24.06431 
1 1 1  -19    7   14 o  316.285   12.788  1258.98  101.002  1250.56  141.467  1267.74  144.249  313.475   18.149  315.550   18.386 -2.074554 25.83479 
1 1 1  -19    7   15 o  213.680   11.289  575.232   60.022  549.837   82.729  603.458   87.217  207.941   16.056  217.879   16.145 -9.937622 22.76976 
1 1 1  -19    7   16 o  161.493   11.283  329.260   45.217  300.533   61.832  362.281   66.293  153.284   16.408  168.555   15.939 -15.27147 22.87554 
1 1 1  -19    7   17 o  201.684   11.547  512.936   57.913  484.124   79.898  544.833   84.064  194.890   16.574  206.869   16.408 -11.97955 23.32204 
1 1 1  -19    7   18 o  233.546   14.274  690.628   82.848  726.300  154.327  676.185   98.198  235.575   26.706  230.362   17.194 5.213425 31.76206 
1 1 1  -19    7   19 o  206.563   15.476  542.351   79.250  542.351   79.250   0.0000   0.0000  206.563   15.476  ?   ?  0.000000 15.47630 
1 1 1  -19    7   20 o  171.519   11.288  371.421   48.076  394.305   66.444  346.274   69.650  175.962   15.273  164.362   17.225 11.59964 23.02110 
1 1 1  -19    7   21 o  213.235   11.271  573.360   59.803  543.647   82.905  605.593   86.349  206.531   16.205  218.108   15.965 -11.57768 22.74792 
1 1 1  -19    7   22 o  198.394   11.267  496.726   55.592  419.754   76.684  581.987   80.707  181.000   17.171  213.910   15.208 -32.91060 22.93773 
1 1 1  -19    7   23 o  142.188   11.770  256.353   41.415  237.683   56.483  278.063   60.907  135.719   17.042  146.988   16.901 -11.26894 24.00122 
1 1 1  -19    7   24 o  156.529   16.430  314.826   63.264  329.237   72.285  267.659  130.775  159.524   18.488  137.541   37.185 21.98282 41.52751 
1 1 1  -19    7   25 o  357.576   19.385  1646.35  172.447  1602.19  227.766  1705.68  263.976  348.294   26.383  356.692   29.912 -8.398193 39.88506 
1 1 1  -19    7   26 o  313.055   13.119  1241.33  102.559  1192.06  144.393  1291.49  145.697  303.812   19.130  316.601   18.509 -12.78961 26.61834 
1 1 1  -19    7   27 o  276.177   15.604  976.796  107.173  1010.52  209.699  964.873  124.687  270.869   31.595  273.164   18.386 -2.294281 36.55553 
1 1 1  -19    7   28 o  211.240   15.293  573.402   80.125  546.817  175.044  580.448   90.121  193.411   37.597  211.758   17.191 -18.34660 41.34038 
1 1 1  -19    7   29 o  135.178   17.037  239.118   56.233  262.884  152.598  235.383   60.490  130.731   41.561  133.510   18.653 -2.778931 45.55485 
1 1 1  -19    7   30 o   98.936   20.849  133.303   49.885  166.094  161.689  129.853   52.443  109.568   42.074   97.213   22.103 12.35513 47.52668 
1 1 1  -19    7   31 o   65.319   21.210   55.819   39.586   95.174  168.402   53.517   40.727   97.523   40.932   64.506   21.541 33.01746 46.25419 
1 1 1  -19    7   32 o   62.599   21.016   50.336   38.769   28.464  167.709   51.571   39.849   87.564   38.767   63.336   21.306 24.22849 44.23629 
1 1 1  -19    7   33 o   78.361   20.939   85.154   41.756   65.978  180.471   86.239   42.921   93.298   40.796   78.789   21.304 14.50931 46.02382 
1 1 1  -19    7   34 o   80.312   21.201   90.101   43.144  123.597  191.966   88.319   44.277  100.828   43.066   79.437   21.704 21.39117 48.22616 
1 1 1  -19    7   35 o  118.729   18.590  191.329   53.307  246.753  213.972  187.661   55.042  116.760   47.263  117.109   19.508 -0.3489304 51.13114 
1 1 1  -19    7   36 o  107.434   20.179  160.468   52.150   63.604  219.317  166.273   53.690   93.709   42.657  109.275   20.426 -15.56629 47.29493 
1 1 1  -19    7   37 o  120.981   41.255  272.644  149.425   0.0000   0.0000  272.644  149.425  ?   ?   120.981   41.255 0.000000 41.25541 
1 1 1  -19    7   38 o  100.579   39.859  182.046  148.896   0.0000   0.0000  182.046  148.896  ?   ?   100.579   39.859 0.000000 39.85899 
1 1 1  -19    8    1 o  347.285   12.791  1518.91  110.926  1463.02  154.275  1578.73  159.607  338.851   18.300  352.063   18.217 -13.21204 25.82127 
1 1 1  -19    8    2 o  260.555   11.496  853.492   74.799  782.410  102.694  933.815  109.165  247.999   16.679  271.165   16.195 -23.16608 23.24827 
1 1 1  -19    8    3 o  361.386   18.932  1665.01  170.259  1680.70  244.598  1650.27  237.141  359.044   27.489  356.099   26.865 2.945221 38.43725 
1 1 1  -19    8    4 o  174.900   15.616  389.631   67.486  440.174  104.750  353.766   88.239  183.887   23.337  164.972   21.965 18.91481 32.04781 
1 1 1  -19    8    5 o  434.866   21.373  2415.56  232.103  2422.97  331.522  2408.43  325.060  429.187   31.145  428.268   30.596 0.9186707 43.65896 
1 1 1  -19    8    6 o  153.952   15.386  302.302   58.358  366.365   92.314  259.657   75.317  167.775   22.610  140.921   22.132 26.85387 31.63881 
1 1 1  -19    8    7 o  345.546   17.773  1518.03  152.839  1754.93  222.009  1304.60  210.725  368.833   24.239  316.581   26.910 52.25250 36.21725 
1 1 1  -19    8    8 o  361.285   18.816  1662.49  169.172  1739.53  244.897  1592.18  233.967  365.837   26.998  349.931   26.983 15.90680 38.16993 
1 1 1  -19    8    9 o   96.990   19.730  123.853   46.159   81.810   80.359  144.555   56.390   84.465   30.153  104.436   22.300 -19.97079 37.50373 
1 1 1  -19    8   10 o  135.890   14.630  235.593   48.863  297.454   92.079  211.344   57.650  150.087   25.479  127.752   18.618 22.33505 31.55653 
1 1 1  -19    8   11 o  333.568   12.744  1400.36  106.157  1499.64  148.684  1297.12  151.616  343.602   17.385  318.920   19.126 24.68127 25.84639 
1 1 1  -19    8   12 o  221.557   11.248  618.275   62.027  614.795   85.784  622.089   89.792  220.026   15.716  221.175   16.374 -1.149353 22.69573 
1 1 1  -19    8   13 o  217.919   11.226  598.184   60.885  585.942   83.884  611.812   88.510  214.762   15.751  219.350   16.275 -4.587997 22.64865 
1 1 1  -19    8   14 o  349.750   13.290  1540.74  116.075  1605.25  162.676  1473.82  165.675  355.132   18.407  339.805   19.608 15.32669 26.89354 
1 1 1  -19    8   15 o  109.270   12.595  152.205   33.739  128.262   44.932  183.154   51.085   98.901   18.882  118.941   17.742 -20.04022 25.90949 
1 1 1  -19    8   16 o  162.457   11.839  333.596   47.698  357.434   65.332  306.386   69.799  167.421   15.814  154.275   18.486 13.14667 24.32700 
1 1 1  -19    8   17 o  149.039   11.622  280.925   42.914  249.817   57.734  319.332   64.150  139.451   16.926  158.000   16.502 -18.54884 23.63921 
1 1 1  -19    8   18 o  234.280   13.290  693.794   77.429  702.495  122.905  688.068   99.703  233.545   21.309  232.326   17.310 1.219574 27.45320 
1 1 1  -19    8   19 o  219.735   10.975  606.750   60.224  548.396   82.506  673.301   88.110  207.555   16.043  230.262   15.412 -22.70700 22.24676 
1 1 1  -19    8   20 o  200.217   11.636  505.930   57.926  471.036   79.361  545.716   84.742  192.060   16.714  206.871   16.542 -14.81084 23.51589 
1 1 1  -19    8   21 o  238.669   12.111  719.045   71.944  725.580  100.201  712.091  103.359  238.529   16.932  236.074   17.661 2.455231 24.46630 
1 1 1  -19    8   22 o  239.809   11.685  724.008   69.972  690.250   97.562  759.766  100.411  232.522   16.918  244.112   16.570 -11.59000 23.68097 
1 1 1  -19    8   23 f   95.369   13.765  117.236   31.834  115.800   41.968  119.181   48.850   93.701   18.592   94.550   21.212 -0.8497009 28.20662 
1 1 1  -19    8   24 o  120.670   16.214  188.288   47.622  154.139   51.813  374.130  120.873  108.021   19.943  165.666   30.336 -57.64494 36.30362 
1 1 1  -19    8   25 o  276.313   18.773  983.351  128.766  1124.97  165.060  763.148  205.818  293.611   22.688  233.584   36.477 60.02737 42.95766 
1 1 1  -19    8   26 o  184.178   11.187  429.574   51.210  377.103   70.244  489.094   74.814  171.029   16.659  195.368   15.461 -24.33900 22.72790 
1 1 1  -19    8   27 o  173.171   11.719  380.929   50.378  361.667   70.163  401.427   72.378  167.129   17.050  176.303   16.636 -9.174866 23.82193 
1 1 1  -19    8   28 o  300.876   15.838  1162.86  118.581  1115.55  231.656  1179.65  138.036  281.465   33.624  301.574   18.418 -20.10880 38.33796 
1 1 1  -19    8   29 o  176.202   15.853  401.890   69.009  336.330  162.553  416.304   76.218  146.751   42.140  178.770   17.289 -32.01961 45.54852 
1 1 1  -19    8   30 o   99.036   19.623  132.468   46.815  167.902  149.601  128.622   49.291  109.050   40.785   97.117   20.941 11.93242 45.84673 
1 1 1  -19    8   31 o  114.485   18.794  175.617   51.865  115.427  164.980  182.218   54.636  100.181   41.141  116.380   19.489 -16.19876 45.52305 
1 1 1  -19    8   32 o  137.098   20.089  253.462   66.737  334.942  172.252  239.071   72.392  140.490   44.095  131.708   22.838 8.781860 49.65830 
1 1 1  -19    8   33 o   39.878   17.638  -7.8999   34.635   56.166  176.778 -10.4572   35.319   91.670   40.223   39.619   17.652 52.05130 43.92580 
1 1 1  -19    8   34 o   88.057   20.592  107.759   44.471  194.529  197.713  103.135   45.641  111.135   45.268   85.880   21.368 25.25458 50.05791 
1 1 1  -19    8   35 o   89.506   21.005  112.268   46.143  149.135  205.217  110.305   47.356  103.801   44.437   88.483   21.617 15.31779 49.41555 
1 1 1  -19    8   36 o  147.881   17.920  294.743   64.826  335.686  228.599  291.162   67.601  126.783   49.655  146.360   18.941 -19.57631 53.14435 
1 1 1  -19    8   37 o   71.396   33.093 -31.8640  140.465   0.0000   0.0000 -31.8640  140.465  ?   ?    71.396   33.093 0.000000 33.09275 
1 1 1  -19    8   38 o   85.783   37.392   84.831  150.549   0.0000   0.0000   84.831  150.549  ?   ?    85.783   37.392 0.000000 37.39217 
1 1 1  -19    9    1 f  134.482   12.109  229.437   40.229  244.210   53.442  210.119   61.111  138.045   15.787  126.910   19.941 11.13567 25.43308 
1 1 1  -19    9    2 o  212.361   11.134  568.394   58.841  560.663   80.604  577.214   86.095  209.994   15.480  212.878   16.320 -2.883499 22.49374 
1 1 1  -19    9    3 o  569.417   17.976  4118.37  255.607  3983.88  359.559  4255.78  363.439  554.957   25.945  574.032   25.354 -19.07538 36.27649 
1 1 1  -19    9    4 o  243.304   11.444  744.237   69.533  728.560   95.614  761.835  101.300  239.410   16.086  244.679   16.679 -5.269272 23.17212 
1 1 1  -19    9    5 o  212.566   11.255  569.456   59.531  567.359   81.604  571.841   87.039  211.279   15.577  211.870   16.583 -0.5909271 22.75178 
1 1 1  -19    9    6 o  151.288   11.187  289.168   41.965  318.412   56.816  254.062   62.250  158.183   14.546  140.341   18.190 17.84161 23.29137 
1 1 1  -19    9    7 o  143.562   11.465  260.687   40.759  267.198   54.681  252.547   61.142  144.627   15.376  139.994   17.899 4.632813 23.59707 
1 1 1  -19    9    8 f  139.480   11.387  246.110   39.316  244.310   52.445  248.420   59.405  138.213   15.460  138.927   17.512 -0.7141113 23.36022 
1 1 1  -19    9    9 o  217.368   11.285  595.325   61.045  638.237   84.144  547.642   88.698  224.304   15.110  207.173   17.303 17.13048 22.97209 
1 1 1  -19    9   10 o  406.682   14.321  2086.47  145.439  2139.35  203.904  2031.70  207.506  409.840   19.923  398.483   20.926 11.35684 28.89376 
1 1 1  -19    9   11 f  147.193   11.192  273.771   40.830  241.339   54.839  314.110   61.160  137.179   16.329  156.853   15.831 -19.67458 22.74364 
1 1 1  -19    9   12 o  320.469   12.588  1292.58  100.739  1470.03  141.339  1109.36  143.621  340.758   16.610  294.602   19.635 46.15555 25.71799 
1 1 1  -19    9   13 o  264.342   11.613  878.445   76.659  935.710  107.212  818.543  109.653  271.577   15.878  253.525   17.426 18.05118 23.57477 
1 1 1  -19    9   14 o  183.047   11.552  422.841   52.533  449.738   72.164  392.518   76.621  188.023   15.508  175.043   17.775 12.98015 23.58938 
1 1 1  -19    9   15 o  340.971   13.609  1465.44  115.873  1481.46  162.359  1448.81  165.423  340.750   19.158  336.733   19.759 4.016602 27.52196 
1 1 1  -19    9   16 o  233.927   11.775  689.867   68.563  734.731   95.228  641.579   98.795  240.490   15.947  224.177   17.794 16.31357 23.89453 
1 1 1  -19    9   17 o  129.434   18.713  217.159   58.729   0.0000   0.0000  217.159   58.729  ?   ?   129.434   18.713 0.000000 18.71328 
1 1 1  -19    9   18 f  330.567   19.309  1396.06  158.700  1396.06  158.700   0.0000   0.0000  330.567   19.309  ?   ?  0.000000 19.30893 
1 1 1  -19    9   19 f  176.157   11.424  391.835   49.985  345.259   67.723  447.568   74.082  164.216   16.749  187.367   15.986 -23.15063 23.15371 
1 1 1  -19    9   20 o  130.575   12.406  216.627   39.965  222.526   53.621  209.253   59.946  131.458   16.712  126.702   19.577 4.755745 25.74033 
1 1 1  -19    9   21 o  462.568   16.550  2715.02  191.167  2601.46  268.893  2831.07  271.832  448.205   24.113  468.732   23.223 -20.52664 33.47783 
1 1 1  -19    9   22 f  242.199   12.561  741.589   75.707  740.894  105.333  742.330  108.887  240.649   17.651  240.683   18.253 -0.3460693E-01 25.39130 
1 1 1  -19    9   23 o  181.048   11.472  414.483   51.600  314.734   70.521  529.420   75.700  155.987   18.462  203.867   14.974 -47.88007 23.77166 
1 1 1  -19    9   24 o  127.688   17.384  211.581   53.990  234.110   60.106  117.464  122.850  134.129   18.432   99.957   37.043 34.17258 41.37505 
1 1 1  -19    9   25 f  264.178   16.526  893.493  108.475  796.248  133.545  1082.08  185.974  247.030   21.875  285.602   26.374 -38.57256 34.26482 
1 1 1  -19    9   26 o  110.517   13.068  156.817   35.368  155.609   47.012  158.393   53.686  108.814   17.925  109.055   20.465 -0.2402649 27.20562 
1 1 1  -19    9   27 o  118.085   12.475  178.574   36.229  157.923   48.590  204.425   54.366  109.336   18.454  124.888   17.948 -15.55228 25.74243 
1 1 1  -19    9   28 o  188.324   12.216  451.628   57.140  424.664   79.693  480.159   81.973  180.580   17.909  192.392   17.245 -11.81180 24.86195 
1 1 1  -19    9   29 o  114.644   12.798  169.209   36.012  133.253   47.664  217.038   54.973   99.444   19.889  128.464   17.599 -29.02029 26.55710 
1 1 1  -19    9   30 o   92.463   20.451  116.479   45.969  187.326  150.014  109.137   48.292  112.884   41.080   89.085   21.869 23.79907 46.53891 
1 1 1  -19    9   31 o   99.350   20.687  134.909   49.655   47.129  159.435  144.338   52.254   89.357   38.717  102.694   21.082 -13.33641 44.08447 
1 1 1  -19    9   32 o  168.537   18.678  377.501   77.290  378.199  181.584  377.346   85.413  148.471   45.044  167.264   20.906 -18.79240 49.65888 
1 1 1  -19    9   33 o  107.343   20.026  157.396   51.706  372.391  182.595  138.653   53.913  145.559   45.353   99.698   22.222 45.86106 50.50476 
1 1 1  -19    9   34 o  134.947   17.982  243.751   59.090  350.477  195.147  232.977   62.000  137.744   47.146  131.120   19.532 6.623535 51.03135 
1 1 1  -19    9   35 o  209.446   16.884  580.575   87.556  755.582  237.970  553.175   94.161  203.740   47.627  203.072   18.781 0.6674652 51.19622 
1 1 1  -19    9   36 o  205.892   16.958  564.015   86.414  688.219  245.834  546.505   92.305  184.369   51.443  201.447   18.558 -17.07820 54.68814 
1 1 1  -19    9   37 o   52.728   20.366   28.659   38.044   0.0000   0.0000   28.659   38.044  ?   ?    52.728   20.366 0.000000 20.36562 
1 1 1  -19    9   38 o   90.294   38.841  110.972  158.150   0.0000   0.0000  110.972  158.150  ?   ?    90.294   38.841 0.000000 38.84122 
1 1 1  -19   10    1 o  285.447   11.324  1024.94   80.716  960.287  110.624  1098.55  118.035  274.782   16.193  293.976   16.140 -19.19455 22.86336 
1 1 1  -19   10    2 o  251.008   11.031  792.135   69.141  810.301   94.563  771.269  101.350  252.690   15.054  246.082   16.590 6.607819 22.40182 
1 1 1  -19   10    3 o  584.960   17.979  4349.77  262.631  4127.58  368.678  4578.69  374.216  564.242   26.166  595.087   25.182 -30.84479 36.31496 
1 1 1  -19   10    4 o  174.720   11.032  385.215   47.888  386.066   64.465  384.167   71.531  174.149   14.969  173.305   16.737 0.8430481 22.45425 
1 1 1  -19   10    5 o  100.954   13.653  130.805   33.537  117.729   44.168  148.607   51.536   94.495   19.368  106.271   20.158 -11.77563 27.95461 
1 1 1  -19   10    6 o  339.737   12.880  1454.02  109.274  1401.96  151.934  1509.79  157.279  331.587   18.421  344.160   18.367 -12.57239 26.01318 
1 1 1  -19   10    7 o  336.793   12.809  1428.66  107.726  1385.97  149.991  1474.15  154.820  329.763   18.286  340.117   18.296 -10.35413 25.86704 
1 1 1  -19   10    8 o  217.343   11.686  595.748   63.192  669.327   86.984  513.512   91.958  229.634   15.256  200.158   18.611 29.47610 24.06453 
1 1 1  -19   10    9 o  303.477   12.254  1159.01   92.866  1162.80  128.850  1154.92  133.965  302.381   17.134  301.103   17.897 1.278198 24.77688 
1 1 1  -19   10   10 o  181.956   11.067  417.541   50.046  411.927   67.744  424.286   74.254  179.927   15.220  182.333   16.486 -2.406357 22.43758 
1 1 1  -19   10   11 o  344.734   13.220  1497.40  113.809  1533.03  159.212  1460.18  162.745  346.865   18.447  338.159   19.353 8.705994 26.73623 
1 1 1  -19   10   12 o  343.969   13.205  1490.73  113.423  1543.49  158.445  1435.28  162.438  348.107   18.291  335.200   19.490 12.90686 26.72873 
1 1 1  -19   10   13 o  304.222   12.177  1164.56   92.511  1230.96  128.783  1093.76  132.979  311.316   16.626  292.882   18.273 18.43436 24.70467 
1 1 1  -19   10   14 o  211.575   10.918  563.890   57.489  584.246   78.834  540.770   84.017  214.590   14.802  206.017   16.469 8.572571 22.14301 
1 1 1  -19   10   15 o  146.261   11.842  270.808   42.880  268.360   58.242  273.704   63.364  144.690   16.409  145.822   17.768 -1.131821 24.18626 
1 1 1  -19   10   16 o  322.709   13.477  1312.92  108.609  1487.67  152.590  1133.48  154.623  341.805   17.940  297.138   20.973 44.66669 27.59909 
1 1 1  -19   10   17 o  175.238   12.072  388.238   52.506  389.836   70.424  386.238   78.788  174.710   16.331  173.356   18.485 1.354523 24.66586 
1 1 1  -19   10   18 o  458.908   16.021  2666.81  183.596  2762.80  258.425  2568.99  260.880  464.059   22.300  446.275   23.492 17.78366 32.39102 
1 1 1  -19   10   19 o  270.479   12.178  921.156   82.254  936.109  114.293  905.090  118.471  271.098   16.968  266.248   17.923 4.849518 24.68093 
1 1 1  -19   10   20 f  235.066   11.928  697.447   69.788  664.440   96.055  734.352  101.567  228.156   16.981  239.893   17.066 -11.73706 24.07463 
1 1 1  -19   10   21 o  350.827   14.017  1555.36  122.803  1672.80  172.736  1435.35  174.618  361.466   19.205  333.920   21.049 27.54590 28.49384 
1 1 1  -19   10   22 o  256.135   12.237  827.131   78.271  763.281  108.246  897.097  113.312  244.106   17.882  264.973   17.218 -20.86766 24.82386 
1 1 1  -19   10   23 o  287.553   14.166  1046.85  101.722  1030.06  163.394  1057.47  129.984  281.002   23.501  287.182   18.219 -6.179688 29.73604 
1 1 1  -19   10   24 o  152.197   16.403  298.279   61.357  292.830   69.486  317.569  130.732  150.029   18.971  149.855   35.483 0.1743317 40.23626 
1 1 1  -19   10   25 o  321.908   14.842  1317.25  119.309  1288.56  140.834  1390.19  224.544  316.653   17.884  322.345   28.178 -5.692200 33.37433 
1 1 1  -19   10   26 o   93.977   14.221  114.647   32.331  138.974   42.848   82.489   49.266  102.837   17.299   78.647   23.373 24.19001 29.07903 
1 1 1  -19   10   27 o  101.518   13.330  133.044   32.976  107.148   42.899  170.442   51.553   89.303   19.760  113.510   18.848 -24.20799 27.30795 
1 1 1  -19   10   28 o  180.018   12.084  412.805   54.009  382.889   74.854  445.290   78.003  171.385   17.747  185.232   17.055 -13.84688 24.61368 
1 1 1  -19   10   29 o  152.361   12.666  297.338   47.755  318.924   65.967  273.569   69.223  156.231   17.193  143.507   19.848 12.72371 26.25906 
1 1 1  -19   10   30 o  188.099   12.340  452.464   57.641  427.957   79.940  479.004   83.190  180.546   17.969  191.274   17.615 -10.72752 25.16292 
1 1 1  -19   10   31 o  102.361   20.318  142.702   50.102  187.508  160.256  137.848   52.746  112.027   42.151  100.033   21.736 11.99364 47.42527 
1 1 1  -19   10   32 o  189.926   18.622  478.369   87.184  432.404  186.352  491.249   98.646  159.145   44.925  190.990   21.032 -31.84425 49.60469 
1 1 1  -19   10   33 o  145.965   17.991  283.721   64.189  257.136  185.325  287.345   68.424  122.622   45.486  146.294   19.193 -23.67189 49.36936 
1 1 1  -19   10   34 o  212.720   16.904  596.607   89.053  467.113  214.918  623.449   97.848  156.996   49.251  216.531   18.267 -59.53450 52.52898 
1 1 1  -19   10   35 o  147.710   17.979  292.560   64.948  252.240  212.803  296.701   68.202  118.086   47.367  148.278   18.845 -30.19172 50.97836 
1 1 1  -19   10   36 o  122.714   20.056  207.564   59.337  262.311  216.319  203.110   61.704  117.222   47.497  120.697   21.248 -3.474312 52.03318 
1 1 1  -19   10   37 o  136.764   18.479  255.028   61.494  579.818  248.773  233.892   63.463  159.407   53.237  129.845   20.232 29.56160 56.95185 
1 1 1  -19   10   38 o  117.231   43.445  274.947  168.988   0.0000   0.0000  274.947  168.988  ?   ?   117.231   43.445 0.000000 43.44499 
1 1 1  -19   11    1 o  140.307   12.193  249.867   42.295  252.361   56.694  246.738   63.515  140.074   16.526  137.858   18.951 2.216049 25.14481 
1 1 1  -19   11    2 o  157.097   11.393  312.148   44.390  276.535   59.070  358.355   67.283  146.770   16.397  167.322   16.310 -20.55159 23.12761 
1 1 1  -19   11    3 o  227.996   11.082  653.758   63.094  666.594   85.703  638.568   93.228  229.050   15.068  223.687   16.813 5.363144 22.57678 
1 1 1  -19   11    4 o  298.047   12.073  1118.55   89.860  1103.97  123.697  1134.85  130.760  294.457   16.893  298.303   17.632 -3.845886 24.41834 
1 1 1  -19   11    5 o  211.434   11.255  563.780   59.211  579.336   80.401  545.345   87.526  213.483   15.181  206.591   17.120 6.892593 22.88114 
1 1 1  -19   11    6 o  342.291   12.611  1476.03  107.797  1359.90  149.034  1603.45  156.107  326.443   18.357  355.265   17.596 -28.82227 25.42818 
1 1 1  -19   11    7 o  256.515   11.542  827.687   73.934  823.784  101.238  832.147  108.229  254.564   16.007  255.551   17.058 -0.9871826 23.39206 
1 1 1  -19   11    8 o  112.876   13.209  162.742   36.529  133.978   47.968  202.452   56.361  100.853   19.753  124.851   18.649 -23.99767 27.16562 
1 1 1  -19   11    9 o  150.331   11.334  285.744   42.236  295.392   56.398  273.422   63.734  152.156   15.040  145.672   17.897 6.483932 23.37725 
1 1 1  -19   11   10 o  185.975   11.119  436.283   51.402  435.743   69.473  436.937   76.407  185.056   15.167  184.939   16.725 0.1169891 22.57816 
1 1 1  -19   11   11 o  101.362   14.071  132.059   34.656  142.676   45.392  117.220   53.663  104.565   18.035   93.733   23.080 10.83165 29.29068 
1 1 1  -19   11   12 o  140.817   12.057  251.328   41.988  285.760   56.345  208.331   62.965  149.585   15.299  126.178   20.701 23.40656 25.74116 
1 1 1  -19   11   13 o  151.507   11.491  290.285   43.153  303.174   57.995  274.297   64.591  154.124   15.269  145.863   18.123 8.261353 23.69827 
1 1 1  -19   11   14 o  265.542   11.498  886.765   76.245  889.192  105.115  884.071  110.758  264.561   15.986  263.525   16.920 1.036530 23.27743 
1 1 1  -19   11   15 o  370.975   13.613  1735.83  126.113  1886.44  176.700  1579.46  180.049  385.144   18.372  351.024   20.631 34.12030 27.62562 
1 1 1  -19   11   16 o  347.949   15.640  1532.18  135.898  1498.82  225.336  1551.25  170.368  338.819   26.852  348.236   19.672 -9.416565 33.28704 
1 1 1  -19   11   17 o  191.319   11.644  462.181   55.367  472.750   74.429  449.086   82.846  192.658   15.605  187.146   17.947 5.512497 23.78253 
1 1 1  -19   11   18 o  319.750   13.024  1289.05  103.996  1288.98  144.744  1289.13  149.519  317.742   18.320  317.519   18.943 0.2227478 26.35269 
1 1 1  -19   11   19 o  133.779   12.059  227.167   39.854  215.312   53.083  242.482   60.336  129.199   16.854  136.917   18.090 -7.718994 24.72462 
1 1 1  -19   11   20 o  260.121   12.207  852.599   79.295  823.688  109.672  884.269  114.784  253.923   17.401  263.076   17.573 -9.153397 24.73076 
1 1 1  -19   11   21 o  179.795   11.817  408.969   52.761  400.708   71.862  418.629   77.711  176.881   16.458  180.548   17.454 -3.667542 23.98971 
1 1 1  -19   11   22 o  274.974   12.787  954.615   87.802  917.526  122.280  994.091  126.153  267.406   18.424  278.460   18.243 -11.05365 25.92789 
1 1 1  -19   11   23 o  167.706   18.148  363.501   74.790  485.004   88.606   62.440  139.476  193.848   18.530   92.421   37.876 101.4272 42.16553 
1 1 1  -19   11   24 o  115.363   18.737  174.764   52.125  208.620   56.763  -7.3592  131.654  126.326   18.546   79.195   34.731 47.13147 39.37284 
1 1 1  -19   11   25 o  185.414   14.250  439.149   65.474  443.236   73.062  422.481  147.545  185.771   15.903  172.458   35.445 13.31334 38.84897 
1 1 1  -19   11   26 o  172.629   11.813  378.628   50.616  340.862   68.572  423.839   75.027  162.169   17.195  181.164   16.775 -18.99496 24.02206 
1 1 1  -19   11   27 o   60.928   16.914   49.152   26.647   39.063   33.035   67.941   45.080   56.807   19.398   71.931   22.555 -15.12418 29.74908 
1 1 1  -19   11   28 o  223.293   12.267  634.870   68.141  615.008   94.491  656.390   98.356  217.578   17.540  224.756   17.667 -7.178101 24.89503 
1 1 1  -19   11   29 o  244.651   12.794  764.391   77.890  786.588  109.721  741.840  110.591  245.536   18.021  237.988   18.761 7.547928 26.01368 
1 1 1  -19   11   30 o  166.473   12.584  355.294   51.929  356.164   71.675  354.332   75.338  164.615   17.715  163.698   18.769 0.9172058 25.80877 
1 1 1  -19   11   31 o  202.962   12.173  527.246   61.413  556.169   85.883  496.981   87.853  206.225   16.824  194.048   18.348 12.17674 24.89318 
1 1 1  -19   11   32 o  179.193   18.647  426.539   82.220  490.938  187.141  411.135   91.526  171.360   43.621  174.230   21.492 -2.869858 48.62782 
1 1 1  -19   11   33 o  205.113   18.858  560.213   95.511  624.677  211.247  543.650  107.080  191.347   44.970  199.997   21.793 -8.649933 49.97255 
1 1 1  -19   11   34 f  130.495   19.562  230.941   61.783   82.293  186.711  249.219   65.471   95.223   41.571  135.435   19.957 -40.21246 46.11263 
1 1 1  -19   11   35 o  136.083   19.048  250.942   62.957  183.672  202.784  258.117   66.230  108.209   45.130  137.598   19.849 -29.38865 49.30182 
1 1 1  -19   11   36 o  147.896   18.222  295.335   65.873  455.127  224.193  280.237   68.915  147.221   50.529  143.064   19.823 4.157181 54.27815 
1 1 1  -19   11   37 o  146.632   19.174  294.464   68.529  274.852  242.336  296.168   71.445  115.385   48.801  146.473   20.060 -31.08822 52.76256 
1 1 1  -19   11   38 o   53.989   21.950   24.415   46.375   0.0000   0.0000   24.415   46.375  ?   ?    53.989   21.950 0.000000 21.94975 
1 1 1  -19   12    1 o  231.029   11.626  674.046   66.860  692.567   90.356  651.634   99.398  233.143   15.610  225.437   17.801 7.706177 23.67593 
1 1 1  -19   12    2 o  118.630   13.064  179.719   38.060  154.205   49.352  217.162   59.787  108.419   18.917  129.073   19.128 -20.65416 26.90211 
1 1 1  -19   12    3 f  193.630   11.481  473.625   55.264  490.400   74.578  453.194   82.303  196.161   15.347  187.876   17.753 8.284821 23.46693 
1 1 1  -19   12    4 o  223.724   11.363  631.506   63.277  591.268   85.560  680.087   94.011  215.348   16.025  230.923   16.410 -15.57584 22.93632 
1 1 1  -19   12    5 o  266.135   11.828  891.838   78.604  906.652  107.270  874.659  115.514  266.899   16.171  261.609   17.788 5.289917 24.03948 
1 1 1  -19   12    6 o  567.130   17.786  4091.62  251.892  4064.10  354.448  4119.70  358.036  559.902   25.351  563.648   25.437 -3.746216 35.91249 
1 1 1  -19   12    7 o  288.657   11.849  1048.95   85.411  994.415  117.157  1110.82  124.781  279.398   16.871  295.310   16.992 -15.91248 23.94503 
1 1 1  -19   12    8 o  371.093   13.530  1737.74  125.383  1676.06  174.108  1804.20  180.714  361.987   19.331  375.604   19.332 -13.61639 27.33897 
1 1 1  -19   12    9 f  314.105   12.369  1242.75   97.022  1200.64  133.480  1289.92  141.271  306.930   17.487  318.033   17.860 -11.10324 24.99612 
1 1 1  -19   12   10 o  155.013   11.829  304.143   45.445  325.852   60.943  276.950   68.207  159.740   15.472  146.246   19.135 13.49377 24.60768 
1 1 1  -19   12   11 o  175.014   11.243  386.748   48.876  427.714   65.851  336.497   72.933  183.436   14.494  161.632   18.397 21.80467 23.42055 
1 1 1  -19   12   12 f  395.563   14.381  1976.65  142.059  2056.46  198.512  1892.88  203.380  401.384   19.805  383.893   21.299 17.49088 29.08407 
1 1 1  -19   12   13 f  254.545   11.779  815.394   74.874  863.062  102.990  761.956  109.044  260.578   15.903  244.161   18.012 16.41728 24.02783 
1 1 1  -19   12   14 o  359.925   13.032  1633.19  117.129  1661.05  163.885  1604.11  167.464  360.886   18.244  354.320   18.996 6.566193 26.33821 
1 1 1  -19   12   15 o  355.176   15.542  1597.01  137.848  1956.99  243.518  1427.26  167.220  388.096   25.265  333.646   20.165 54.45035 32.32531 
1 1 1  -19   12   16 o  341.730   18.162  1490.08  154.431  1490.08  154.431   0.0000   0.0000  341.730   18.162  ?   ?  0.000000 18.16190 
1 1 1  -19   12   17 o  349.269   13.365  1539.29  116.565  1600.47  162.588  1474.59  167.204  354.011   18.456  339.182   19.827 14.82892 27.08720 
1 1 1  -19   12   18 o   98.675   14.623  125.711   34.942  146.666   46.024   97.196   53.688  105.947   18.043   85.513   24.105 20.43454 30.10922 
1 1 1  -19   12   19 o   93.388   14.555  112.852   32.837   97.595   42.488  135.481   51.745   85.660   20.192  100.971   21.197 -15.31105 29.27566 
1 1 1  -19   12   20 o  206.781   11.608  540.221   59.699  512.571   81.374  572.447   87.852  200.223   16.420  211.563   16.766 -11.33942 23.46712 
1 1 1  -19   12   21 o  135.109   12.124  232.005   40.469  174.469   53.204  310.987   62.337  115.352   19.141  155.613   16.283 -40.26111 25.12988 
1 1 1  -19   12   22 o  166.454   12.946  352.185   53.390  327.751   77.426  374.336   73.720  158.593   19.995  170.406   17.576 -11.81299 26.62173 
1 1 1  -19   12   23 o  110.745   18.622  161.181   49.672  172.524   53.725   94.381  130.372  114.410   19.504   96.108   37.538 18.30185 42.30232 
1 1 1  -19   12   24 o  102.311   18.885  138.490   46.472  143.598   49.790  103.954  129.463  103.941   19.907   97.454   37.589 6.487549 42.53495 
1 1 1  -19   12   25 o  176.419   12.055  395.463   52.792  441.119   72.195  342.993   77.394  185.272   15.754  161.930   19.534 23.34227 25.09513 
1 1 1  -19   12   26 o  125.824   12.745  202.769   39.494  197.831   52.171  209.396   60.442  122.930   17.488  125.720   19.916 -2.789810 26.50448 
1 1 1  -19   12   27 f  149.318   12.083  284.485   44.669  271.859   60.038  300.140   66.854  144.456   16.966  151.481   18.027 -7.024643 24.75558 
1 1 1  -19   12   28 o   69.631   16.823   64.938   28.924   61.661   36.282   70.653   47.912   67.995   20.020   73.133   23.292 -5.137451 30.71375 
1 1 1  -19   12   29 o  290.057   13.379  1074.52   96.905  1092.79  136.266  1055.83  137.836  288.707   19.007  283.339   19.601 5.368256 27.30338 
1 1 1  -19   12   30 o   49.178   16.608   29.615   24.212   20.316   29.460   48.971   42.502   46.754   17.958   63.038   21.980 -16.28368 28.38309 
1 1 1  -19   12   31 o  103.164   14.199  139.192   35.611  166.550   47.033  102.439   54.513  111.848   17.405   85.534   24.352 26.31399 29.93254 
1 1 1  -19   12   32 o  108.834   21.778  163.623   57.123  209.192  167.715  157.644   60.755  114.712   43.128  105.997   23.564 8.714836 49.14570 
1 1 1  -19   12   33 o  122.990   21.135  207.489   62.571  126.693  176.544  219.096   66.915  100.771   42.075  125.963   22.078 -25.19231 47.51567 
1 1 1  -19   12   34 o  100.715   21.528  141.456   52.503  107.863  185.965  144.366   54.730   98.146   42.166  101.457   22.217 -3.310226 47.66112 
1 1 1  -19   12   35 f  202.889   17.518  547.753   87.884  454.114  221.093  565.325   95.775  150.253   50.188  205.110   18.912 -54.85732 53.63309 
1 1 1  -19   12   36 o  209.218   17.187  583.545   89.000  664.260  247.234  571.528   95.396  178.982   52.137  205.805   18.768 -26.82317 55.41198 
1 1 1  -19   12   37 o  146.765   20.404  298.447   72.756   0.0000   0.0000  298.447   72.756  ?   ?   146.765   20.404 0.000000 20.40356 
1 1 1  -19   13    1 o  345.954   18.835  1537.12  162.101  1408.69  215.117  1705.88  246.582  326.662   26.602  358.820   27.734 -32.15762 38.42998 
1 1 1  -19   13    2 o  218.954   17.065  614.286   92.568  585.033  113.672  671.875  159.492  211.952   21.787  223.806   29.236 -11.85437 36.46120 
1 1 1  -19   13    3 o  114.251   20.024  171.923   55.048  161.232   62.676  208.001  115.134  109.627   23.594  122.219   35.572 -12.59251 42.68536 
1 1 1  -19   13    4 o  107.121   14.457  147.769   37.684  149.868   49.794  144.955   57.652  106.689   19.405  104.065   22.814 2.624352 29.95038 
1 1 1  -19   13    5 o  203.679   11.290  523.830   57.197  506.784   76.925  544.907   85.538  199.322   15.578  206.395   16.740 -7.072662 22.86764 
1 1 1  -19   13    6 o  410.848   13.923  2133.59  142.840  1998.82  197.843  2280.33  206.444  394.565   20.147  422.231   19.580 -27.66660 28.09345 
1 1 1  -19   13    7 o  255.755   11.726  823.747   74.891  822.627  102.357  825.038  109.864  254.103   16.215  254.087   17.420 0.1599121E-01 23.79918 
1 1 1  -19   13    8 o  274.465   11.751  948.608   80.542  944.041  110.400  953.804  117.763  272.274   16.312  273.338   17.343 -1.063599 23.80873 
1 1 1  -19   13    9 o  451.853   15.156  2585.09  171.011  2512.82  238.815  2661.15  244.996  442.330   21.620  455.238   21.551 -12.90814 30.52689 
1 1 1  -19   13   10 o  479.905   15.749  2918.91  188.735  2725.33  262.980  3124.52  271.024  459.935   22.897  493.045   22.013 -33.11041 31.76190 
1 1 1  -19   13   11 o  164.443   11.849  342.215   48.331  327.898   64.412  360.661   73.112  159.975   16.354  167.487   17.751 -7.512421 24.13595 
1 1 1  -19   13   12 o  104.946   13.995  141.501   35.763  125.931   46.438  164.198   56.066   97.630   19.726  111.532   20.898 -13.90208 28.73781 
1 1 1  -19   13   13 o  124.983   12.920  199.035   39.741  219.275   52.716  172.391   60.484  130.458   16.554  114.052   22.034 16.40612 27.56004 
1 1 1  -19   13   14 o  366.994   13.619  1700.57  124.813  1681.29  173.304  1721.35  179.906  362.444   19.216  366.506   19.729 -4.061707 27.54121 
1 1 1  -19   13   15 o  204.955   13.005  531.978   66.214  454.299   99.470  593.787   88.729  186.927   21.714  215.657   16.604 -28.72986 27.33442 
1 1 1  -19   13   16 o  276.723   12.398  965.235   85.671  1018.48  118.269  906.449  124.269  282.657   16.832  265.906   18.837 16.75085 25.26125 
1 1 1  -19   13   17 o  309.620   12.742  1209.25   98.521  1229.60  136.124  1186.86  142.773  310.303   17.640  304.354   18.878 5.948334 25.83713 
1 1 1  -19   13   18 o  349.675   13.625  1545.08  118.974  1566.23  165.745  1522.60  170.881  349.594   19.058  344.248   19.964 5.346008 27.59964 
1 1 1  -19   13   19 o  136.241   12.531  236.111   42.156  240.816   56.005  229.960   64.034  136.632   16.766  132.599   19.957 4.032928 26.06491 
1 1 1  -19   13   20 o  288.226   14.016  1051.49  100.883  973.157  159.997  1103.19  129.976  272.965   23.708  293.504   17.818 -20.53979 29.65690 
1 1 1  -19   13   21 o  210.485   13.187  562.352   68.962  518.901  102.841  597.855   92.960  199.684   20.935  215.779   17.400 -16.09515 27.22200 
1 1 1  -19   13   22 o   79.528   20.633   84.586   41.327   70.151   43.707  206.433  126.986   73.139   22.079  121.128   37.835 -47.98867 43.80577 
1 1 1  -19   13   23 o  140.529   17.963  256.927   61.596  281.275   68.087  147.191  144.547  146.790   19.022  108.426   40.181 38.36450 44.45589 
1 1 1  -19   13   24 o   94.359   17.814  117.772   40.437  111.277   42.445  181.584  133.042   91.312   19.222  114.393   38.928 -23.08062 43.41568 
1 1 1  -19   13   25 o  106.547   14.271  146.912   37.017  147.757   48.081  145.684   58.006  105.532   18.941  103.560   23.026 1.971840 29.81525 
1 1 1  -19   13   26 o   86.126   15.306   97.497   31.714  105.203   40.641   85.499   50.714   88.592   18.944   79.685   23.722 8.906960 30.35783 
1 1 1  -19   13   27 o  119.773   12.828  184.393   37.770  156.592   49.431  223.398   58.550  108.421   18.947  130.116   18.544 -21.69538 26.51189 
1 1 1  -19   13   28 o  218.255   12.659  608.372   68.699  612.148   95.282  604.283   99.142  216.620   17.771  214.740   18.674 1.880478 25.77819 
1 1 1  -19   13   29 o  129.844   12.758  216.986   40.833  229.793   54.261  200.263   62.003  132.262   16.808  121.599   21.189 10.66209 27.04603 
1 1 1  -19   13   30 o   84.226   14.922   93.860   30.237   72.185   37.954  131.516   50.025   72.764   20.182   97.904   21.085 -25.14005 29.18655 
1 1 1  -19   13   31 o   92.484   15.108  113.076   33.688  125.745   42.931   92.773   54.345   96.447   18.498   81.622   24.615 14.82474 30.79099 
1 1 1  -19   13   32 o  145.852   19.242  285.488   68.371  399.456  170.809  263.744   74.609  153.920   42.857  138.492   22.333 15.42822 48.32706 
1 1 1  -19   13   33 f  118.193   13.886  182.398   40.203  173.393   52.098  195.655   63.213  113.061   19.135  118.783   22.125 -5.721741 29.25182 
1 1 1  -19   13   34 o   79.608   22.931   89.272   48.066  139.076  182.278   85.550   49.829  101.715   42.633   78.039   23.578 23.67575 48.71872 
1 1 1  -19   13   35 o  178.636   17.879  426.847   78.684  494.098  221.321  417.117   84.184  157.062   50.065  175.458   19.546 -18.39613 53.74498 
1 1 1  -19   13   36 o  133.418   19.919  244.843   64.330  145.923  217.529  254.323   67.342  101.944   44.678  135.650   20.521 -33.70549 49.16525 
1 1 1  -19   13   37 o  109.635   22.111  171.418   58.445  208.948  236.142  168.969   60.322  107.319   46.804  108.289   23.016 -0.9706726 52.15676 
1 1 1  -19   14    1 o  140.237   12.482  250.571   43.255  249.771   55.983  251.757   68.137  139.002   16.447  138.359   20.327 0.6433563 26.14734 
1 1 1  -19   14    2 o  259.995   11.564  852.867   75.077  823.669  101.262  888.510  111.882  253.810   16.059  263.235   17.113 -9.425110 23.46837 
1 1 1  -19   14    3 o  332.406   12.808  1396.72  106.321  1376.12  146.094  1419.90  155.023  327.578   17.927  332.351   18.755 -4.772308 25.94530 
1 1 1  -19   14    4 o  299.680   13.997  1137.40  104.749  1074.07  122.500  1309.68  202.034  289.781   17.003  315.334   25.885 -25.55280 30.96992 
1 1 1  -19   14    5 f  202.015   17.332  523.983   86.590  560.422  106.224  451.814  149.492  207.766   20.751  180.398   34.441 27.36714 40.20908 
1 1 1  -19   14    6 o  284.098   17.294  1032.23  122.110  916.741  156.340  1212.90  195.543  264.817   23.899  303.651   26.040 -38.83435 35.34453 
1 1 1  -19   14    7 o  315.246   18.050  1272.20  141.501  1137.04  181.732  1480.33  225.503  294.684   24.930  335.066   27.185 -40.38162 36.88524 
1 1 1  -19   14    8 o  547.385   24.925  3896.76  340.701  3435.48  469.159  4411.45  495.574  500.085   37.849  570.722   34.941 -70.63745 51.51107 
1 1 1  -19   14    9 f  212.755   12.947  573.468   68.458  476.025  103.533  649.168   91.254  191.048   22.110  225.484   16.317 -34.43681 27.47860 
1 1 1  -19   14   10 o  354.220   12.524  1582.72  110.781  1428.06  152.637  1754.87  161.036  334.051   18.368  371.249   17.370 -37.19861 25.28086 
1 1 1  -19   14   11 o  197.305   11.679  492.049   57.288  484.813   76.689  501.187   86.173  194.839   15.900  197.621   17.647 -2.782425 23.75413 
1 1 1  -19   14   12 o  120.466   13.388  185.476   39.595  210.981   52.065  150.493   60.976  127.814   16.713  105.924   23.650 21.88932 28.95945 
1 1 1  -19   14   13 o  290.909   12.349  1067.12   89.708  1063.90  123.539  1070.71  130.477  288.654   17.217  289.224   18.158 -0.5691528 25.02243 
1 1 1  -19   14   14 o  275.847   18.177  974.475  124.506   0.0000   0.0000  974.475  124.506  ?   ?   275.847   18.177 0.000000 18.17660 
1 1 1  -19   14   15 o  276.460   13.416  965.629   92.619  875.785  113.684  1142.98  159.724  261.664   17.499  297.276   21.665 -35.61197 27.84944 
1 1 1  -19   14   16 o  297.924   12.321  1119.50   91.662  1025.13  125.529  1227.29  134.161  283.007   17.854  309.932   17.405 -26.92554 24.93365 
1 1 1  -19   14   17 o  202.620   11.609  518.975   58.493  447.783   79.158  604.607   86.815  186.764   17.165  217.572   16.093 -30.80711 23.52898 
1 1 1  -19   14   18 o  272.913   13.814  944.742   93.836  883.805  147.237  986.421  121.769  260.421   22.873  277.525   17.662 -17.10422 28.89830 
1 1 1  -19   14   19 o  118.865   19.187  185.319   55.014  211.455   60.303   55.634  134.327  127.006   19.648   90.128   37.080 36.87885 41.96384 
1 1 1  -19   14   20 o  202.770   16.976  528.009   85.169  520.756   99.668  547.641  163.970  200.220   20.211  198.626   34.298 1.593674 39.80979 
1 1 1  -19   14   21 o  142.553   17.671  263.692   61.558  266.972   68.392  249.698  141.271  142.814   19.702  131.655   39.683 11.15875 44.30493 
1 1 1  -19   14   22 o  343.086   19.049  1518.94  162.565  1408.41  208.722  1689.38  259.190  325.928   25.857  354.014   29.590 -28.08557 39.29575 
1 1 1  -19   14   23 o   84.435   19.374   95.474   39.984   91.070   41.817  142.435  136.553   82.301   20.440  105.954   39.096 -23.65277 44.11647 
1 1 1  -19   14   24 o   73.531   17.020   72.034   30.634   92.861   39.099   38.920   49.300   83.206   19.207   61.918   23.361 21.28796 30.24321 
1 1 1  -19   14   25 o  201.639   11.927  516.794   59.788  509.354   81.469  525.479   88.017  198.556   16.582  201.234   17.695 -2.677872 24.25057 
1 1 1  -19   14   26 o  101.465   13.825  133.510   34.118  133.379   44.252  133.701   53.574  100.082   18.384   99.032   22.211 1.050453 28.83200 
1 1 1  -19   14   27 o  164.049   12.357  343.986   50.249  359.131   68.197  325.997   74.324  166.109   16.665  157.080   19.357 9.029251 25.54302 
1 1 1  -19   14   28 o  186.003   12.028  441.793   55.570  402.578   74.895  489.824   82.887  175.433   17.322  193.656   17.323 -18.22276 24.49755 
1 1 1  -19   14   29 o  123.310   12.748  196.066   38.687  181.654   50.447  216.643   60.280  116.895   17.848  127.114   19.622 -10.21984 26.52460 
1 1 1  -19   14   30 o  114.616   13.465  170.558   37.804  116.215   49.501  246.613   58.560   91.556   21.938  136.457   17.595 -44.90135 28.12241 
1 1 1  -19   14   31 o  154.268   12.496  306.334   47.726  299.559   64.073  314.779   71.532  150.484   17.369  153.444   19.080 -2.959869 25.80198 
1 1 1  -19   14   32 o  112.350   22.380  175.498   60.584   94.208  164.989  188.167   65.134   94.965   40.221  115.969   23.300 -21.00395 46.48240 
1 1 1  -19   14   33 o  122.737   14.697  197.671   44.149  223.491   57.483  160.532   68.939  128.956   18.370  105.246   26.304 23.70956 32.08315 
1 1 1  -19   14   34 o  134.238   13.511  234.776   44.675  276.093   59.683  182.125   67.373  144.063   16.912  112.789   24.612 31.27402 29.86218 
1 1 1  -19   14   35 o   98.418   22.545  137.678   54.220   96.235  197.428  141.059   56.388   95.948   42.291   99.349   23.156 -3.401070 48.21574 
1 1 1  -19   14   36 o  180.119   19.502  442.366   86.319   0.0000   0.0000  442.366   86.319  ?   ?   180.119   19.502 0.000000 19.50244 
1 1 1  -19   14   37 o  119.856   49.009  317.443  232.863  317.443  232.863   0.0000   0.0000  119.856   49.009  ?   ?  0.000000 49.00866 
1 1 1  -19   15    1 o  125.994   13.214  203.566   40.956  237.207   53.175  154.502   64.218  135.318   16.049  106.264   24.674 29.05348 29.43400 
1 1 1  -19   15    2 o   83.162   17.154   91.687   34.442   44.057   43.430  172.406   56.538   62.054   22.166  113.771   20.661 -51.71683 30.30209 
1 1 1  -19   15    3 o  195.670   11.666  485.276   56.745  485.170   75.198  485.416   86.480  194.514   15.613  193.704   18.088 0.8104401 23.89384 
1 1 1  -19   15    4 o  305.747   12.265  1181.67   93.644  1103.83  127.294  1273.48  138.247  293.188   17.466  314.890   17.652 -21.70236 24.83249 
1 1 1  -19   15    5 o  141.665   12.568  255.642   44.001  236.561   57.266  283.143   68.749  135.000   17.391  147.335   19.138 -12.33562 25.85939 
1 1 1  -19   15    6 o  257.106   11.930  834.448   76.593  859.625  104.243  804.908  112.914  259.303   16.179  250.104   18.204 9.199142 24.35486 
1 1 1  -19   15    7 o  112.889   13.980  163.808   38.567  182.147   49.858  136.486   60.856  118.265   17.403  100.390   24.492 17.87450 30.04544 
1 1 1  -19   15    8 o  148.990   15.194  284.653   55.739  272.442   60.885  347.870  138.533  145.214   17.119  156.823   36.120 -11.60889 39.97126 
1 1 1  -19   15    9 o  156.978   17.532  318.169   67.551  302.737   77.526  366.828  137.664  152.007   20.983  161.699   35.100 -9.692108 40.89360 
1 1 1  -19   15   10 o  262.419   17.011  881.146  110.875  777.095  137.757  1072.52  186.825  243.976   22.878  284.896   26.567 -40.92038 35.05978 
1 1 1  -19   15   11 o  309.966   17.463  1229.34  134.618  1027.66  170.825  1559.82  218.671  279.921   24.691  344.672   25.588 -64.75140 35.55861 
1 1 1  -19   15   12 o  252.635   17.869  818.763  112.003  813.852  137.554  828.422  192.933  250.056   22.261  247.144   32.014 2.912094 38.99279 
1 1 1  -19   15   13 o  384.943   32.628  2000.98  310.697   0.0000   0.0000  2000.98  310.697  ?   ?   384.943   32.628 0.000000 32.62849 
1 1 1  -19   15   14 o  182.318   20.266  431.948   90.705  431.948   90.705   0.0000   0.0000  182.318   20.266  ?   ?  0.000000 20.26585 
1 1 1  -19   15   15 o  160.950   18.125  334.970   71.580  371.527   81.720  214.479  148.363  169.092   19.724  124.233   41.096 44.85941 45.58443 
1 1 1  -19   15   16 o  125.757   18.139  206.049   55.315  173.542   60.304  378.508  138.900  114.141   21.954  164.345   34.922 -50.20393 41.24940 
1 1 1  -19   15   17 o  147.254   17.014  280.025   61.411  232.231   67.795  498.574  144.971  132.689   21.172  190.877   31.514 -58.18857 37.96556 
1 1 1  -19   15   18 o  154.041   17.808  307.233   67.240  325.283   75.628  239.141  146.891  157.986   19.590  129.361   40.739 28.62512 45.20420 
1 1 1  -19   15   19 o  152.786   17.472  302.154   65.462  292.571   72.599  343.834  151.402  149.525   19.940  153.889   39.268 -4.363785 44.04107 
1 1 1  -19   15   20 o  144.621   14.746  268.478   52.509  246.947   56.199  416.484  147.345  138.125   16.627  171.314   35.605 -33.18828 39.29557 
1 1 1  -19   15   21 o  107.248   16.994  150.557   43.996  133.356   46.425  302.193  137.839  100.186   19.256  144.146   37.820 -43.96096 42.43967 
1 1 1  -19   15   22 o  237.216   12.250  714.138   72.316  763.750   98.593  656.366  106.392  243.854   16.284  224.782   19.136 19.07251 25.12685 
1 1 1  -19   15   23 o   76.663   16.950   78.236   31.588   78.759   39.666   77.329   52.224   76.531   20.389   76.681   24.307 -0.1504822 31.72550 
1 1 1  -19   15   24 o  160.534   12.277  328.624   48.843  320.881   65.824  338.111   72.859  157.119   17.050  160.790   18.482 -3.671219 25.14526 
1 1 1  -19   15   25 o  161.429   12.393  332.754   49.577  344.049   66.490  318.612   74.398  162.765   16.591  155.398   19.608 7.367691 25.68536 
1 1 1  -19   15   26 o  110.216   13.996  157.495   37.652  148.054   49.037  171.057   58.771  105.098   19.399  112.284   21.746 -7.186020 29.14094 
1 1 1  -19   15   27 o  176.392   12.054  397.447   52.780  390.968   71.186  405.357   78.655  173.189   16.666  175.679   18.193 -2.490067 24.67209 
1 1 1  -19   15   28 o  135.572   12.750  236.529   42.659  241.845   56.499  229.479   65.059  135.554   17.069  130.487   20.654 5.066833 26.79434 
1 1 1  -19   15   29 o  163.724   12.404  344.056   50.336  335.110   67.461  355.292   75.606  159.600   17.198  163.569   18.855 -3.969070 25.52047 
1 1 1  -19   15   30 o   57.638   17.547   43.932   27.522   45.821   33.485   39.997   48.315   59.547   19.516   61.008   23.101 -1.460339 30.24061 
1 1 1  -19   15   31 o   54.958   17.525   39.251   27.116   28.682   33.127   60.708   47.201   51.618   19.215   68.203   23.187 -16.58491 30.11390 
1 1 1  -19   15   32 o  109.649   22.764  168.268   60.291   30.301  161.748  190.530   64.973   85.629   37.983  116.671   23.118 -31.04200 44.46544 
1 1 1  -19   15   33 o  107.957   15.231  154.204   39.920  187.141   52.212  107.851   61.938  117.736   18.357   86.592   26.316 31.14400 32.08578 
1 1 1  -19   15   34 o  181.465   12.555  425.513   56.545  438.311   76.899  410.449   83.432  181.588   17.162  174.159   19.520 7.429382 25.99127 
1 1 1  -19   15   35 o   98.435   22.844  138.480   55.070  304.374  200.931  125.006   57.263  124.486   47.116   92.779   24.393 31.70695 53.05558 
1 1 1  -19   15   36 o  147.750   21.173  303.997   75.886  139.478  223.497  325.436   80.679  100.446   44.598  152.479   21.810 -52.03368 49.64495 
1 1 1  -19   15   37 o  110.509   22.338  175.296   59.524  214.529  234.242  172.588   61.544  106.590   46.547  109.022   23.312 -2.431107 52.05836 
1 1 1  -19   16    1 o  132.948   12.778  226.659   41.899  252.502   54.229  188.382   65.997  139.442   15.856  117.549   23.306 21.89253 28.18851 
1 1 1  -19   16    2 o   98.323   15.459  126.489   36.704  132.616   46.771  116.666   59.219   99.526   19.516   92.079   25.077 7.446877 31.77608 
1 1 1  -19   16    3 o  230.534   11.650  674.228   66.850  687.947   89.168  656.622  101.016  231.475   15.516  224.995   18.133 6.480087 23.86510 
1 1 1  -19   16    4 o  108.734   14.366  152.965   38.053  154.722   48.972  150.289   60.454  108.093   18.827  105.056   23.618 3.036652 30.20326 
1 1 1  -19   16    5 o  169.953   12.101  367.239   51.021  371.268   67.285  361.788   78.261  169.743   16.065  166.462   19.178 3.281982 25.01719 
1 1 1  -19   16    6 o   81.109   17.484   87.414   34.371   93.889   43.756   76.981   55.540   83.518   21.001   77.182   25.126 6.336006 32.74688 
1 1 1  -19   16    7 o  208.116   11.630  548.700   60.199  598.402   80.827  486.786   90.213  216.338   15.055  193.679   18.893 22.65869 24.15809 
1 1 1  -19   16    8 o  199.557   11.521  504.358   57.168  498.445   76.330  511.914   86.275  197.219   15.627  199.235   17.519 -2.015793 23.47555 
1 1 1  -19   16    9 o  220.568   11.649  615.849   63.935  605.755   85.094  628.934   96.883  217.519   15.773  220.961   17.707 -3.442108 23.71335 
1 1 1  -19   16   10 o  164.079   12.122  341.915   49.316  322.822   65.120  367.591   75.517  158.193   16.739  168.429   18.246 -10.23618 24.76123 
1 1 1  -19   16   11 o  153.091   12.376  298.066   46.907  287.955   61.821  311.785   72.011  149.289   16.879  154.738   19.038 -5.449646 25.44279 
1 1 1  -19   16   12 o  119.718   14.367  184.352   42.094  165.757   54.441  211.995   66.378  111.846   20.237  126.326   21.831 -14.48027 29.76798 
1 1 1  -19   16   13 o  243.077   12.483  748.764   75.519  740.798  102.167  758.359  112.127  240.223   17.144  242.460   18.663 -2.236893 25.34164 
1 1 1  -19   16   14 o  159.737   12.552  324.504   49.666  316.380   64.769  336.100   77.378  156.583   16.828  160.508   19.720 -3.924820 25.92431 
1 1 1  -19   16   15 o  162.480   12.101  335.292   48.746  307.316   63.934  374.135   75.335  154.271   16.871  170.015   18.019 -15.74347 24.68406 
1 1 1  -19   16   16 o   95.964   15.650  120.131   36.210   99.960   46.569  150.975   57.586   86.192   21.662  105.953   22.462 -19.76118 31.20518 
1 1 1  -19   16   17 o  202.701   11.943  520.892   60.185  513.198   80.393  530.703   90.780  199.919   16.244  202.647   18.131 -2.728073 24.34299 
1 1 1  -19   16   18 o  227.885   11.669  657.685   66.184  631.746   88.326  690.898   99.945  221.946   16.045  231.622   17.407 -9.675446 23.67322 
1 1 1  -19   16   19 o  174.666   12.100  387.661   52.451  350.405   69.222  437.891   80.376  164.578   17.092  183.938   17.718 -19.35925 24.61844 
1 1 1  -19   16   20 o  187.098   11.963  444.598   55.601  457.989   74.398  427.657   83.680  188.689   15.938  181.268   18.758 7.421143 24.61482 
1 1 1  -19   16   21 o  125.330   13.494  201.748   41.567  203.499   54.691  199.353   63.962  124.532   18.118  121.981   21.798 2.550209 28.34434 
1 1 1  -19   16   22 o  129.619   13.000  215.392   41.513  242.750   54.742  178.363   63.685  136.697   16.362  114.678   23.038 22.01888 28.25714 
1 1 1  -19   16   23 f   94.451   15.173  116.767   34.576  101.407   44.543  140.051   54.844   86.483   20.865  101.465   22.257 -14.98154 30.50826 
1 1 1  -19   16   24 o   83.764   16.283   93.080   32.832   80.345   42.091  112.872   52.470   77.019   21.210   90.677   23.106 -13.65776 31.36492 
1 1 1  -19   16   25 o  207.859   11.937  550.442   61.702  575.189   84.058  521.531   90.857  210.808   16.089  199.578   18.439 11.22978 24.47148 
1 1 1  -19   16   26 o  183.610   11.961  430.398   54.543  391.660   73.589  477.621   81.250  173.062   17.258  191.291   17.193 -18.22862 24.36044 
1 1 1  -19   16   27 o  166.642   12.515  356.044   51.698  381.521   69.577  324.641   77.247  170.928   16.506  155.794   20.341 15.13371 26.19531 
1 1 1  -19   16   28 o  151.544   12.870  295.630   48.242  319.245   64.804  266.277   72.251  155.875   16.920  140.190   21.309 15.68506 27.21008 
1 1 1  -19   16   29 o  118.934   13.106  183.308   38.278  156.229   49.343  224.230   60.658  107.521   19.076  129.121   19.413 -21.60065 27.21693 
1 1 1  -19   16   30 o   88.253   15.681  103.794   33.292  116.840   42.098   82.016   54.394   92.631   18.841   77.255   24.840 15.37611 31.17719 
1 1 1  -19   16   31 o   99.073   23.079  138.238   56.037  340.854  158.555  109.317   59.903  141.908   41.871   87.499   25.714 54.40896 49.13656 
1 1 1  -19   16   32 o   99.125   24.440  140.507   60.113   39.946  172.558  154.397   64.131   88.125   39.154  103.699   25.047 -15.57389 46.48028 
1 1 1  -19   16   33 o  124.089   14.135  201.749   43.019  249.275   57.025  138.976   65.536  136.708   17.076   97.536   26.304 39.17181 31.36118 
1 1 1  -19   16   34 o  138.145   13.193  248.589   44.958  244.014   59.236  254.804   69.047  134.483   18.098  135.775   21.046 -1.291916 27.75725 
1 1 1  -19   16   35 o  233.613   14.334  713.839   83.217  711.400  122.349  715.939  113.519  226.557   21.899  229.104   20.044 -2.546463 29.68690 
1 1 1  -19   16   36 o   92.153   15.471  114.419   34.341  109.789   42.631  122.977   57.958   88.347   19.812   91.259   24.789 -2.912697 31.73368 
1 1 1  -19   16   37 o  129.621   21.294  237.620   66.532  292.091  227.537  232.527   69.572  114.891   47.851  127.192   22.739 -12.30117 52.97905 
1 1 1  -19   17    1 o   87.840   21.379  105.955   46.452   68.498   67.943  138.832   63.654   75.349   27.612   99.396   25.515 -24.04662 37.59610 
1 1 1  -19   17    2 o  157.932   16.365  324.916   63.605  355.753   92.574  297.342   87.540  161.928   23.587  147.258   24.679 14.66972 34.13731 
1 1 1  -19   17    3 o   69.694   19.185   65.309   34.445   24.367   43.941  130.566   55.475   54.763   21.669   97.412   23.147 -42.64939 31.70663 
1 1 1  -19   17    4 o   76.941   18.165   79.564   34.341   70.757   43.297   94.503   56.387   72.795   21.975   83.339   25.060 -10.54474 33.33041 
1 1 1  -19   17    5 o  115.496   14.027  172.396   39.626  158.844   50.620  193.843   63.680  109.200   19.267  119.864   22.088 -10.66382 29.31091 
1 1 1  -19   17    6 o   57.115   19.236   40.048   32.482   35.145   41.229   48.072   52.743   57.745   21.447   65.933   24.303 -8.187881 32.41325 
1 1 1  -19   17    7 o   78.203   18.074   81.832   34.588   87.131   44.437   73.687   55.093   80.293   21.663   75.631   25.044 4.661453 33.11322 
1 1 1  -19   17    8 o  154.828   12.189  305.409   46.747  300.781   60.965  312.013   72.826  152.470   16.263  154.243   19.332 -1.772720 25.26285 
1 1 1  -19   17    9 o   67.330   19.074   60.151   33.530   51.101   42.800   74.531   53.950   64.625   22.079   75.894   24.767 -11.26892 33.17946 
1 1 1  -19   17   10 o  153.695   12.202  300.817   46.448  307.929   60.786  290.837   72.003  154.452   15.992  148.750   19.881 5.701813 25.51482 
1 1 1  -19   17   11 o  298.582   12.140  1128.17   90.519  1132.67  123.174  1122.89  133.472  296.996   16.675  294.926   18.212 2.070526 24.69303 
1 1 1  -19   17   12 o  228.940   17.931  677.292  101.696   0.0000   0.0000  677.292  101.696  ?   ?   228.940   17.931 0.000000 17.93140 
1 1 1  -19   17   13 o  175.333   13.040  391.799   56.684  379.304   68.986  417.771   99.455  171.521   16.302  177.459   22.983 -5.937775 28.17748 
1 1 1  -19   17   14 o  115.644   13.706  172.075   38.812  141.221   49.514  221.240   62.503  102.894   19.991  129.439   19.980 -26.54559 28.26347 
1 1 1  -19   17   15 o   93.564   15.854  114.692   35.720  100.898   45.332  137.285   58.015   86.479   21.164  100.455   23.538 -13.97644 31.65345 
1 1 1  -19   17   16 o  109.639   14.153  155.260   37.845  132.518   48.451  190.849   60.608   99.508   20.188  119.633   21.057 -20.12497 29.17098 
1 1 1  -19   17   17 o   82.156   17.130   89.640   34.004   94.534   43.075   81.545   55.396   83.727   20.715   78.730   25.042 4.996971 32.49976 
1 1 1  -19   17   18 o  226.313   11.846  649.910   66.715  589.289   89.407  726.069  100.213  213.694   16.892  237.267   17.027 -23.57376 23.98452 
1 1 1  -19   17   19 o  259.370   11.863  851.793   76.834  740.636  103.349  989.144  114.883  239.375   17.408  277.172   16.676 -37.79791 24.10664 
1 1 1  -19   17   20 o  158.747   12.220  321.312   48.070  312.501   63.453  333.180   73.643  155.187   16.633  159.462   18.859 -4.274353 25.14582 
1 1 1  -19   17   21 o   98.743   14.969  127.265   35.752  153.226   46.344   89.105   56.189  107.657   17.865   81.372   25.127 26.28523 30.83018 
1 1 1  -19   17   22 f  218.799   12.026  609.212   65.457  579.231   87.898  646.541   98.078  211.455   16.784  222.997   17.760 -11.54271 24.43582 
1 1 1  -19   17   23 o  126.150   13.233  204.881   41.067  206.452   53.788  202.685   63.589  125.196   17.698  122.557   21.565 2.638809 27.89719 
1 1 1  -19   17   24 o   70.803   17.711   67.498   31.236   86.648   39.793   36.754   50.419   79.825   20.003   61.086   23.486 18.73880 30.84972 
1 1 1  -19   17   25 o  121.254   14.188  190.790   42.148  235.930   55.662  130.123   64.529  133.975   17.021   96.134   26.175 37.84134 31.22289 
1 1 1  -19   17   26 o  127.605   13.160  210.264   41.332  188.354   53.802  241.815   64.563  118.695   18.776  134.314   19.847 -15.61863 27.32138 
1 1 1  -19   17   27 o  232.490   12.440  692.155   71.959  727.570   98.274  651.219  105.657  236.004   16.784  221.664   19.280 14.34003 25.56216 
1 1 1  -19   17   28 o  270.509   12.684  936.582   85.682  976.773  119.262  893.707  123.178  272.695   17.608  259.646   19.133 13.04959 26.00158 
1 1 1  -19   17   29 o   67.324   17.513   61.590   29.723   73.742   36.727   38.524   50.599   73.273   19.662   61.074   23.515 12.19951 30.65269 
1 1 1  -19   17   30 o  102.442   15.200  138.763   37.704  181.819   49.223   77.631   58.652  116.603   17.440   75.859   25.847 40.74364 31.18085 
1 1 1  -19   17   31 o   96.244   23.885  131.885   57.133  160.254  156.007  127.491   61.398  103.749   40.899   94.047   25.501 9.701385 48.19823 
1 1 1  -19   17   32 o   69.045   24.766   60.896   54.272   0.0000   0.0000   60.896   54.272  ?   ?    69.045   24.766 0.000000 24.76630 
1 1 1  -19   17   33 o  136.231   13.318  241.842   44.727  235.732   58.727  250.282   69.020  132.120   18.290  134.514   21.254 -2.393753 28.04024 
1 1 1  -19   17   34 o  161.994   19.131  356.436   75.897  259.282  201.448  372.508   81.935  116.952   46.358  164.808   20.340 -47.85620 50.62362 
1 1 1  -19   17   35 o  208.276   17.986  584.263   92.626  584.263   92.626   0.0000   0.0000  208.276   17.986  ?   ?  0.000000 17.98563 
1 1 1  -19   17   36 o   88.774   15.685  106.772   33.499  105.631   41.908  108.791   55.753   86.473   19.830   85.745   24.696 0.7278748 31.67177 
1 1 1  -19   18    1 o   93.357   16.345  116.319   36.717  115.066   46.372  118.426   60.115   91.280   20.807   91.249   25.431 0.3013611E-01 32.85828 
1 1 1  -19   18    2 o   58.698   19.100   44.469   32.094   51.003   40.090   32.808   53.558   63.221   21.370   60.490   23.926 2.730602 32.08038 
1 1 1  -19   18    3 o   67.433   18.892   61.417   33.084   50.994   41.710   79.101   54.330   63.658   21.796   76.637   24.845 -12.97932 33.05059 
1 1 1  -19   18    4 o  115.396   19.337  178.534   53.750  241.835   79.545  125.344   72.916  132.029   25.043   94.152   28.539 37.87677 37.96859 
1 1 1  -19   18    5 o   67.553   22.802   58.143   45.640 -21.8829   68.458  122.169   61.233   54.151   24.318   93.493   25.515 -39.34217 35.24745 
1 1 1  -19   18    6 o   74.982   23.004   75.540   47.182  102.627   72.807   55.928   61.950   87.046   28.789   70.485   26.268 16.56156 38.97200 
1 1 1  -19   18    7 o   89.895   16.676  107.212   36.056  108.077   46.014  105.836   58.036   89.082   21.023   87.612   25.186 1.470146 32.80697 
1 1 1  -19   18    8 o  130.267   13.124  218.070   42.111  222.629   54.405  211.258   66.509  130.373   17.125  125.082   22.101 5.290672 27.95941 
1 1 1  -19   18    9 o   73.756   18.505   73.157   34.027   72.467   43.066   74.302   55.510   73.560   21.852   75.673   25.143 -2.112885 33.31144 
1 1 1  -19   18   10 o   65.979   19.246   57.767   33.668   52.306   42.604   66.848   54.944   64.874   22.029   72.916   25.015 -8.041641 33.33243 
1 1 1  -19   18   11 o  141.729   16.676  261.428   57.891  267.898  101.910  258.345   70.343  137.595   30.464  139.335   20.858 -1.739838 36.92023 
1 1 1  -19   18   12 o  127.972   17.780  214.864   55.284  214.864   55.284   0.0000   0.0000  127.972   17.780  ?   ?  0.000000 17.78011 
1 1 1  -19   18   13 o   69.269   18.620   64.210   32.903   47.304   41.095   94.403   54.920   62.509   21.623   83.422   24.651 -20.91378 32.79071 
1 1 1  -19   18   14 o  174.935   12.096  389.710   52.517  390.088   69.144  389.194   80.737  173.721   16.122  172.368   19.077 1.353500 24.97709 
1 1 1  -19   18   15 o  275.908   12.258  965.529   84.459  1008.25  114.988  915.476  124.461  279.722   16.535  265.231   18.915 14.49139 25.12374 
1 1 1  -19   18   16 o  192.561   12.122  471.972   57.991  439.831   76.539  515.291   88.857  184.238   16.822  198.988   18.079 -14.74934 24.69471 
1 1 1  -19   18   17 o  103.288   14.689  138.816   36.820  122.794   46.601  165.438   60.070   95.453   20.181  110.351   22.560 -14.89862 30.26956 
1 1 1  -19   18   18 o  176.065   12.018  394.946   52.525  371.552   69.054  427.060   80.908  169.234   16.552  180.877   18.158 -11.64294 24.56957 
1 1 1  -19   18   19 o  216.738   11.786  597.416   63.549  601.173   84.913  592.633   95.816  215.842   15.865  213.231   18.168 2.610901 24.11973 
1 1 1  -19   18   20 o  223.675   11.998  636.892   66.769  632.659   89.602  642.176  100.121  221.133   16.342  221.864   18.233 -0.7306366 24.48433 
1 1 1  -19   18   21 o  204.578   12.237  533.813   62.230  538.118   82.802  528.225   94.335  203.713   16.416  200.539   19.067 3.174164 25.16033 
1 1 1  -19   18   22 o  100.851   14.747  132.962   36.042  116.748   46.043  158.621   57.919   92.646   20.449  107.679   22.275 -15.03368 30.23769 
1 1 1  -19   18   23 o  185.318   12.068  438.755   55.541  409.026   73.848  477.469   84.273  176.976   16.916  190.840   17.892 -13.86401 24.62290 
1 1 1  -19   18   24 o   64.424   18.150   55.746   30.449   44.929   37.653   76.186   51.760   60.224   20.705   75.330   24.232 -15.10549 31.87361 
1 1 1  -19   18   25 o  189.407   12.763  460.433   60.017  504.880   80.961  406.210   89.422  196.554   16.651  173.870   21.022 22.68378 26.81772 
1 1 1  -19   18   26 o  130.404   12.958  219.711   41.639  206.887   54.171  238.229   65.098  124.634   17.921  132.811   20.270 -8.177505 27.05619 
1 1 1  -19   18   27 o  245.998   12.192  773.492   74.893  756.046  101.615  794.240  110.813  240.042   17.063  245.232   18.225 -5.189285 24.96622 
1 1 1  -19   18   28 o   90.026   16.175  108.390   35.027  135.667   44.632   64.647   56.520  100.056   18.546   71.156   25.300 28.90025 31.36959 
1 1 1  -19   18   29 o   58.963   18.295   46.171   29.748   34.116   36.720   69.189   50.740   55.004   20.278   71.804   24.043 -16.80002 31.45212 
1 1 1  -19   18   30 o   63.716   23.621   47.742   49.964   40.683  160.224   48.503   52.587   86.180   38.036   64.618   24.178 21.56129 45.07030 
1 1 1  -19   18   31 o  192.071   19.427  496.982   91.896  488.440  192.055  499.518  104.653  164.948   45.259  190.304   22.454 -25.35576 50.52288 
1 1 1  -19   18   32 o  108.351   14.806  155.298   39.011  133.357   50.033  189.325   62.306   97.576   21.144  116.119   22.298 -18.54242 30.72861 
1 1 1  -19   18   33 o  160.859   13.039  336.414   51.926  319.109   68.617  359.605   79.435  153.811   18.219  162.171   20.041 -8.359573 27.08456 
1 1 1  -19   18   34 o  113.486   14.918  171.105   41.252  183.687   53.859  153.248   64.162  115.413   19.374  101.999   25.310 13.41415 31.87430 
1 1 1  -19   18   35 o  102.184   14.971  139.644   37.069  139.678   46.957  139.588   60.387  100.027   19.500   97.145   24.806 2.882507 31.55254 
1 1 1  -19   18   36 o   99.890   14.893  133.920   36.015  105.269   44.597  187.632   61.063   85.607   21.017  114.282   22.197 -28.67412 30.56792 
1 1 1  -19   19    1 o   99.055   15.614  130.851   37.344  130.719   47.376  131.068   60.686   97.093   20.198   95.105   25.163 1.988365 32.26625 
1 1 1  -19   19    2 o  180.598   12.253  419.955   54.934  474.134   71.638  342.627   85.585  190.436   15.191  157.594   22.376 32.84149 27.04498 
1 1 1  -19   19    3 o   76.460   18.317   79.970   34.513   80.800   43.183   78.504   57.422   76.307   21.656   76.087   25.576 0.2199707 33.51342 
1 1 1  -19   19    4 o   34.365   15.625 -15.8156   29.322   1.1305   36.570 -46.3220   49.067   43.566   18.707   40.335   18.976 3.231003 26.64654 
1 1 1  -19   19    5 o   63.089   19.176   53.124   32.886   63.364   41.038   34.745   54.977   68.713   21.516   61.489   24.267 7.224220 32.43148 
1 1 1  -19   19    6 o   35.691   16.050 -12.6409   29.941   3.7295   37.311 -42.2487   50.177   44.852   19.068   41.721   19.486 3.130798 27.26309 
1 1 1  -19   19    7 o  118.522   19.486  188.672   55.669  239.223   84.799  150.388   73.797  130.078   26.990  102.458   28.031 27.62006 38.91285 
1 1 1  -19   19    8 o   45.967   19.940  -2.3371   42.387 -28.9213   67.144   15.277   54.655   52.246   23.713   56.239   23.440 -3.993092 33.34266 
1 1 1  -19   19    9 o  171.334   16.804  383.219   70.972  407.564  107.803  364.596   94.288  171.889   25.920  163.643   23.768 8.246948 35.16821 
1 1 1  -19   19   10 o  241.629   14.949  752.308   89.755  853.963  148.688  694.031  112.581  251.610   23.954  229.355   19.852 22.25450 31.11098 
1 1 1  -19   19   11 o  160.913   14.576  334.343   57.933  339.386   83.483  329.659   80.460  159.129   21.564  157.051   21.045 2.078400 30.13152 
1 1 1  -19   19   12 o  118.189   14.179  181.066   41.011  176.385   52.269  188.562   66.150  115.068   18.843  117.250   23.412 -2.182182 30.05308 
1 1 1  -19   19   13 o  153.704   12.432  302.376   47.309  280.420   61.180  335.028   74.610  146.410   17.053  159.305   19.138 -12.89468 25.63356 
1 1 1  -19   19   14 o  125.684   13.669  203.902   42.209  185.223   54.095  232.975   67.488  117.943   19.013  131.641   21.254 -13.69845 28.51717 
1 1 1  -19   19   15 o  279.808   12.088  994.927   84.460  957.298  113.355  1041.89  126.633  271.811   16.782  282.828   18.024 -11.01688 24.62716 
1 1 1  -19   19   16 o  105.215   14.471  144.186   37.016  119.547   46.609  186.268   60.912   93.824   20.469  117.266   21.597 -23.44176 29.75555 
1 1 1  -19   19   17 o   83.505   17.133   93.238   34.528   36.659   42.610  201.450   58.927   58.505   21.789  122.702   19.914 -64.19664 29.51837 
1 1 1  -19   19   18 o   78.670   17.530   83.185   33.557   41.004   41.532  162.502   56.952   59.798   21.638  109.258   21.639 -49.46006 30.60139 
1 1 1  -19   19   19 o  178.088   12.305  405.518   54.389  350.777   71.258  481.913   84.181  163.492   17.738  191.877   17.771 -28.38528 25.10854 
1 1 1  -19   19   20 o  101.395   14.908  134.675   36.620   96.250   46.309  198.804   59.826   83.652   21.909  121.476   20.448 -37.82442 29.96852 
1 1 1  -19   19   21 o  207.161   12.109  548.319   62.367  480.802   82.783  636.941   94.843  191.572   17.498  220.773   17.343 -29.20128 24.63618 
1 1 1  -19   19   22 o   88.455   16.641  104.468   35.410   85.855   44.689  135.867   58.044   78.991   21.896   98.614   23.835 -19.62315 32.36541 
1 1 1  -19   19   23 o  138.356   13.429  247.451   45.814  256.801   60.131  234.513   70.734  139.290   17.686  130.825   22.461 8.465149 28.58793 
1 1 1  -19   19   24 o   61.612   18.579   50.620   30.961   35.966   38.612   77.008   51.814   56.582   20.803   75.345   24.246 -18.76339 31.94749 
1 1 1  -19   19   25 o  276.472   12.608  978.531   87.046  994.682  118.326  959.482  128.507  275.301   17.300  268.808   19.272 6.492950 25.89754 
1 1 1  -19   19   26 f   80.659   17.037   87.988   33.239   71.700   41.490  117.177   55.540   72.264   21.444   90.950   24.077 -18.68568 32.24150 
1 1 1  -19   19   27 o   72.836   17.970   72.509   32.482   78.913   40.506   60.969   54.371   75.473   20.816   69.393   24.800 6.080101 32.37825 
1 1 1  -19   19   28 o   96.563   23.730  132.572   56.814  117.907  138.418  135.543   62.304   94.885   38.152   96.981   25.418 -2.096001 45.84389 
1 1 1  -19   19   29 o   70.890   24.285   66.966   51.782   50.389  141.069   69.547   55.667   84.021   36.411   72.355   25.159 11.66595 44.25788 
1 1 1  -19   19   30 o  140.111   20.640  269.078   70.052  372.038  163.375  245.884   77.542  145.804   42.356  131.520   24.512 14.28452 48.93752 
1 1 1  -19   19   31 o  150.340   13.416  294.321   49.840  324.301   65.959  254.423   76.090  155.860   17.235  134.176   23.569 21.68347 29.19861 
1 1 1  -19   19   32 o   65.492   17.839   59.017   29.965   56.083   36.396   65.189   52.793   64.194   20.285   69.886   24.489 -5.691895 31.79968 
1 1 1  -19   19   33 o  177.421   12.953  409.440   56.990  395.814   76.325  426.610   85.676  171.220   18.127  176.598   19.767 -5.378128 26.81970 
1 1 1  -19   19   34 o  105.346   19.204  153.999   48.658  153.999   48.658   0.0000   0.0000  105.346   19.204  ?   ?  0.000000 19.20398 
1 1 1  -19   19   35 o  126.560   13.883  211.710   43.157  215.110   55.315  206.421   68.994  125.194   18.228  118.798   24.081 6.396034 30.20251 
1 1 1  -19   20    1 o   71.489   24.674   70.507   53.497   73.513   58.200   54.133  135.841   73.029   25.705   81.258   35.467 -8.228607 43.80215 
1 1 1  -19   20    2 o  101.889   15.454  138.811   38.087  128.908   47.937  155.766   62.723   95.795   20.648  103.382   24.644 -7.587051 32.15034 
1 1 1  -19   20    3 o   85.503   17.606  100.024   36.340  100.515   45.712   99.181   59.904   84.263   21.618   82.868   26.003 1.395180 33.81549 
1 1 1  -19   20    4 o  119.791   13.781  187.832   40.472  192.245   51.099  180.404   66.296  119.519   17.652  112.275   24.347 7.243614 30.07301 
1 1 1  -19   20    5 o   39.286   16.948  -0.4087   30.289 -17.4332   37.541   31.342   51.268   39.155   17.756   58.748   23.355 -19.59386 29.33785 
1 1 1  -19   20    6 o   73.853   18.741   74.903   34.620  113.971   43.499   7.3996   57.178   90.989   19.714   54.703   23.438 36.28601 30.62651 
1 1 1  -19   20    7 o   44.521   18.043   13.009   31.221   3.8503   38.787   29.864   52.616   45.493   19.393   59.013   23.595 -13.51971 30.54199 
1 1 1  -19   20    8 o   94.793   16.395  119.908   37.406  118.569   47.588  122.073   60.509   92.580   21.059   92.584   25.404 -0.4379272E-02 32.99801 
1 1 1  -19   20    9 f  109.735   14.689  157.809   39.241  139.737   49.492  188.404   64.395  101.072   20.314  116.549   22.942 -15.47665 30.64317 
1 1 1  -19   20   10 o  286.699   15.106  1064.15  107.769  1135.59  172.852  1018.72  137.839  288.357   24.229  276.768   20.080 11.58942 31.46860 
1 1 1  -19   20   11 f  106.893   22.601  158.169   58.444  119.142   89.215  187.508   77.352   92.294   31.863  114.358   27.438 -22.06429 42.04892 
1 1 1  -19   20   12 o  252.201   17.018  830.654  106.551  897.933  158.059  774.612  144.257  255.920   25.054  237.920   24.637 18.00031 35.13803 
1 1 1  -19   20   13 o  237.950   16.840  738.763   99.417  788.955  149.180  698.663  133.342  239.686   25.307  226.518   23.935 13.16852 34.83293 
1 1 1  -19   20   14 o   62.682   23.091   44.748   47.606 -38.5872   82.047   87.044   58.451   56.611   25.893   79.934   25.755 -23.32225 36.52107 
1 1 1  -19   20   15 o   98.914   22.304  135.242   53.777  161.443   92.660  121.934   66.036  104.915   32.245   92.799   26.920 12.11662 42.00546 
1 1 1  -19   20   16 o   53.144   19.017   32.620   31.982   51.643   39.917  -1.4877   53.448   63.563   21.325   51.486   22.362 12.07699 30.89996 
1 1 1  -19   20   17 o  109.431   14.765  156.669   39.317  134.028   50.176  192.684   63.285   98.908   20.966  118.547   22.193 -19.63925 30.53048 
1 1 1  -19   20   18 o  102.341   15.529  138.043   38.441  147.116   48.882  123.337   62.230  104.269   19.490   93.370   25.822 10.89857 32.35183 
1 1 1  -19   20   19 o  169.881   12.572  370.604   52.954  382.323   69.273  354.131   82.134  170.921   16.433  162.281   20.742 8.640152 26.46268 
1 1 1  -19   20   20 o   47.712   18.042   22.752   29.449   0.3162   35.963   68.422   51.309   43.054   18.521   72.029   24.177 -28.97528 30.45572 
1 1 1  -19   20   21 o  142.021   13.204  260.665   46.294  230.824   59.772  305.402   73.184  131.337   18.758  150.774   19.926 -19.43695 27.36567 
1 1 1  -19   20   22 o  157.330   12.595  318.719   49.067  275.493   63.588  382.340   77.143  143.891   18.097  169.587   18.517 -25.69553 25.89155 
1 1 1  -19   20   23 o  123.200   13.914  197.742   42.056  184.521   53.816  218.481   67.403  116.876   19.099  125.817   22.268 -8.940727 29.33642 
1 1 1  -19   20   24 o  101.290   15.793  136.222   38.644  140.884   49.792  129.161   61.280  101.196   20.408   94.945   25.364 6.250587 32.55519 
1 1 1  -19   20   25 o   85.729   24.298  104.383   54.399  131.197  124.453   98.050   60.483   96.415   36.939   83.213   26.131 13.20220 45.24730 
1 1 1  -19   20   26 o   87.315   24.282  108.755   54.868   87.914  124.330  113.796   61.144   87.642   35.821   88.880   25.939 -1.237656 44.22583 
1 1 1  -19   20   27 o   54.790   22.451   20.832   48.995 -106.9879  123.776   44.581   53.353   61.406   29.253   63.443   24.214 -2.036564 37.97480 
1 1 1  -19   20   28 o   47.005   20.542  -2.7123   45.694  106.947  127.040 -19.0074   48.972   90.908   36.551   44.991   20.352 45.91697 41.83547 
1 1 1  -19   20   29 o   97.795   24.603  138.208   60.031  198.592  156.598  127.805   64.997  109.175   41.529   93.299   26.600 15.87594 49.31736 
1 1 1  -19   20   30 o   81.085   17.405   90.012   34.189  101.827   42.988   69.676   56.400   85.211   20.460   72.068   25.309 13.14340 32.54483 
1 1 1  -19   20   31 o   99.739   15.430  133.008   37.189  136.404   46.942  127.283   60.944   99.137   19.656   93.063   25.479 6.073708 32.17963 
1 1 1  -19   20   32 o   93.740   24.364  128.555   57.559  212.753  175.773  118.442   60.917  108.861   43.255   89.438   25.830 19.42335 50.38005 
1 1 1  -19   20   33 o  109.098   14.984  158.834   39.745  142.446   49.394  188.931   66.940  100.606   20.360  113.780   24.298 -13.17393 31.70039 
1 1 1  -19   20   34 o  136.892   13.987  247.516   47.143  257.700   61.370  232.853   73.634  137.101   18.389  126.262   24.235 10.83826 30.42156 
1 1 1  -19   20   35 o   79.356   16.999   87.340   32.672   86.812   39.936   88.409   56.816   77.787   20.332   77.352   25.424 0.4344254 32.55429 
1 1 1  -19   21    1 o   61.481   23.726   44.343   51.599   22.949   55.345  186.547  142.687   56.399   23.554  101.192   39.341 -44.79280 45.85291 
1 1 1  -19   21    2 o   93.666   24.990  131.295   59.534  119.368   65.221  190.879  145.774   88.486   27.029  103.002   39.842 -14.51593 48.14533 
1 1 1  -19   21    3 o   68.539   24.489   63.080   53.014   67.036   57.046   38.022  143.560   70.436   25.378   79.674   35.536 -9.237923 43.66757 
1 1 1  -19   21    4 o   79.735   20.726   90.246   41.649   27.351   58.714  153.947   59.088   59.268   24.464  103.088   23.478 -43.81974 33.90771 
1 1 1  -19   21    5 o  120.595   14.112  191.622   41.693  199.754   52.521  177.764   68.562  121.333   17.869  110.060   25.453 11.27325 31.09951 
1 1 1  -19   21    6 o  161.090   12.502  336.290   49.898  320.213   63.928  361.356   79.822  154.939   16.791  162.548   20.093 -7.608597 26.18537 
1 1 1  -19   21    7 o   54.772   19.243   36.984   32.606   60.732   40.591  -6.2177   54.748   66.821   21.455   50.275   22.209 16.54509 30.88034 
1 1 1  -19   21    8 o   52.282   19.100   31.332   32.474   41.184   40.551   13.716   54.221   58.740   21.361   54.809   23.127 3.931221 31.48232 
1 1 1  -19   21    9 o   76.851   22.966   82.764   47.466   31.473   80.302  110.308   58.847   67.531   28.301   87.554   25.417 -20.02254 38.03867 
1 1 1  -19   21   10 o   68.959   21.355   64.900   40.555   60.246   41.943  131.717  158.921   67.042   21.835   99.083   40.497 -32.04057 46.00899 
1 1 1  -19   21   11 o   39.191   16.923  -0.7824   30.253  -4.3341   37.286   6.0614   51.758   42.326   18.525   52.118   22.314 -9.791885 29.00143 
1 1 1  -19   21   12 o  168.462   12.333  365.320   51.520  366.010   67.045  364.325   80.512  166.783   16.306  164.322   20.035 2.460526 25.83237 
1 1 1  -19   21   13 o  101.978   15.674  137.905   38.639  144.007   49.445  128.336   61.923  102.513   20.033   94.599   25.593 7.913704 32.50106 
1 1 1  -19   21   14 o   72.588   18.795   72.183   34.338   84.279   43.035   50.988   56.967   77.912   21.443   66.746   25.128 11.16656 33.03342 
1 1 1  -19   21   15 o   75.156   18.662   77.350   34.865   67.608   43.896   93.996   57.383   70.603   22.274   81.873   25.410 -11.26997 33.79102 
1 1 1  -19   21   16 o   64.473   23.386   50.141   48.556  -6.4895   86.160   76.498   58.780   62.641   27.757   75.611   25.875 -12.96951 37.94692 
1 1 1  -19   21   17 o   90.186   23.526  114.823   53.538  111.831   94.645  116.231   64.924   89.898   32.643   90.023   26.850 -0.1246796 42.26664 
1 1 1  -19   21   18 o   88.905   23.865  111.843   54.093   59.458   99.337  133.924   64.493   78.461   32.037   96.462   26.128 -18.00152 41.34068 
1 1 1  -19   21   19 o   78.585   24.166   86.080   52.037  -1.2159   98.179  120.184   61.365   67.113   29.690   91.554   25.758 -24.44160 39.30562 
1 1 1  -19   21   20 o  129.820   21.332  231.290   66.751  316.837  130.130  200.743   77.760  141.303   36.590  117.708   27.025 23.59496 45.48816 
1 1 1  -19   21   21 o  191.179   17.995  485.609   84.898  519.899  144.491  467.529  104.919  186.531   32.183  183.889   23.376 2.641541 39.77650 
1 1 1  -19   21   22 o  107.895   23.163  164.042   60.542  244.797  121.435  137.330   69.841  123.377   36.703   96.849   27.560 26.52873 45.89851 
1 1 1  -19   21   23 o  109.693   23.394  170.074   62.125  157.928  124.175  174.129   71.751  101.640   37.316  109.371   26.540 -7.731361 45.79182 
1 1 1  -19   21   24 o  256.828   18.193  877.771  115.924  976.146  187.109  816.487  147.683  258.582   29.505  241.387   24.855 17.19513 38.57864 
1 1 1  -19   21   25 o  124.165   22.635  215.942   67.597  309.087  142.931  189.106   76.720  135.087   39.725  113.285   27.416 21.80279 48.26720 
1 1 1  -19   21   26 o   86.672   25.476  108.669   58.796   48.125  134.449  122.986   65.379   81.954   35.531   91.567   26.850 -9.613014 44.53539 
1 1 1  -19   21   27 o  109.975   15.148  160.382   40.498  171.930   52.261  143.025   64.071  111.976   19.392   98.915   25.704 13.06083 32.19876 
1 1 1  -19   21   28 o   66.323   18.825   60.619   32.628   76.390   40.818   32.707   54.304   73.809   21.092   59.769   23.945 14.04031 31.90966 
1 1 1  -19   21   29 o   86.344   16.978  101.597   35.302   81.184   43.921  138.853   59.336   75.759   21.948   97.753   24.388 -21.99425 32.80957 
1 1 1  -19   21   30 o  174.758   13.342  398.160   57.783  480.397   76.851  291.207   87.642  190.100   16.348  141.435   25.764 48.66516 30.51282 
1 1 1  -19   21   31 o  129.313   14.197  220.595   45.092  231.947   58.614  204.137   70.578  130.299   18.537  118.323   24.685 11.97599 30.86990 
1 1 1  -19   21   32 o   83.120   17.904   95.844   36.066  120.348   45.727   55.512   58.666   92.193   20.402   67.007   25.435 25.18645 32.60657 
1 1 1  -19   21   33 o   90.468   16.892  112.353   36.758  128.492   45.407   81.667   62.612   95.486   19.697   75.552   26.654 19.93423 33.14223 
1 1 1  -19   21   34 o  136.645   14.276  248.026   47.995  245.975   62.249  251.033   75.369  132.914   19.320  130.868   23.945 2.046280 30.76757 
1 1 1  -19   22    1 o   45.673   20.624 -12.4291   50.037   4.9311   53.165 -147.0610  148.056   50.702   22.157   60.703   29.650 -10.00094 37.01447 
1 1 1  -19   22    2 o   56.714   23.297   28.449   52.922   10.686   56.443  157.633  152.213   53.415   23.090   94.187   39.175 -40.77189 45.47339 
1 1 1  -19   22    3 o   61.936   23.741   46.498   51.421   60.731   55.010 -52.0365  144.737   67.243   24.814   68.401   32.304 -1.158150 40.73452 
1 1 1  -19   22    4 o   50.746   21.770   9.1079   49.444 -14.1412   52.445  195.000  148.297   46.825   21.132  102.632   40.049 -55.80754 45.28272 
1 1 1  -19   22    5 o  108.624   24.765  175.195   65.683  198.024   72.307   67.440  157.093  114.900   25.829   84.399   37.435 30.50175 45.48101 
1 1 1  -19   22    6 o  174.300   20.293  421.088   86.675  445.502   99.328  343.158  177.461  176.920   23.028  130.040   44.937 46.87970 50.49382 
1 1 1  -19   22    7 o   76.804   21.152   84.093   41.859   71.229   57.252   98.868   61.356   72.023   25.479   81.920   26.386 -9.896996 36.68014 
1 1 1  -19   22    8 o   44.652   18.309   12.604   32.616   22.733   40.608  -5.8056   54.749   51.633   20.699   50.025   22.149 1.608204 30.31492 
1 1 1  -19   22    9 o  111.978   15.832  167.739   43.036  169.777   53.319  163.928   72.900  110.569   20.049  104.340   27.566 6.228912 34.08594 
1 1 1  -19   22   10 o   73.390   19.166   75.049   35.508   47.299   43.884  127.661   60.425   61.634   22.251   93.300   25.298 -31.66582 33.69127 
1 1 1  -19   22   11 o   44.968   18.146   14.683   31.434   20.195   38.150   3.0282   55.476   49.990   20.054   52.534   22.800 -2.544369 30.36467 
1 1 1  -19   22   12 o   47.832   18.660   21.129   32.188   7.2142   39.063   50.563   56.813   46.310   19.590   65.882   25.025 -19.57148 31.78065 
1 1 1  -19   22   13 o   45.907   18.332   16.657   31.718   31.688   39.472 -10.7372   53.287   54.699   20.839   48.681   21.686 6.017929 30.07598 
1 1 1  -19   22   14 o   82.208   18.307   92.949   36.618  118.470   46.588   51.703   59.227   92.048   20.763   66.922   25.520 25.12691 32.89894 
1 1 1  -19   22   15 o  217.663   12.242  610.342   66.269  603.227   86.963  620.196  102.340  213.798   16.414  214.632   19.301 -0.8336487 25.33617 
1 1 1  -19   22   16 o   54.208   19.175   35.695   32.426   27.292   39.809   52.263   55.896   53.280   20.762   66.399   24.911 -13.11855 32.42841 
1 1 1  -19   22   17 o   59.199   19.429   45.986   33.185   45.730   41.278   46.454   55.799   60.722   21.618   64.548   24.733 -3.825451 32.84932 
1 1 1  -19   22   18 o   77.987   18.410   83.781   35.277   85.504   44.215   80.762   58.518   77.984   21.837   76.459   25.819 1.525269 33.81531 
1 1 1  -19   22   19 o   71.421   18.779   70.430   33.937   71.755   42.227   68.014   57.029   71.890   21.702   71.821   25.427 0.6888580E-01 33.42925 
1 1 1  -19   22   20 o   59.889   19.366   47.533   33.026   36.897   41.046   67.063   55.619   57.190   21.368   71.251   25.123 -14.06095 32.98163 
1 1 1  -19   22   21 o  112.674   15.050  168.019   41.287  144.464   52.297  206.987   67.265  101.594   21.295  121.099   23.086 -19.50516 31.40764 
1 1 1  -19   22   22 o  215.705   12.625  601.131   67.709  568.511   89.655  644.434  103.297  206.567   17.547  218.763   19.100 -12.19586 25.93654 
1 1 1  -19   22   23 o  172.669   13.078  386.994   55.970  337.161   72.883  458.629   87.384  157.914   18.855  184.122   19.292 -26.20776 26.97566 
1 1 1  -19   22   24 o  118.363   14.761  185.073   42.681  178.254   54.167  196.240   69.317  113.763   19.785  116.753   24.554 -2.989975 31.53324 
1 1 1  -19   22   25 o  113.760   15.108  171.680   41.858  156.548   53.088  196.546   68.053  105.885   20.820  117.049   24.086 -11.16429 31.83670 
1 1 1  -19   22   26 f  200.703   12.688  521.812   63.263  494.714   83.203  558.948   97.401  192.304   17.518  202.949   19.457 -10.64565 26.18154 
1 1 1  -19   22   27 o   83.846   17.956   96.883   36.464   88.160   44.735  114.151   62.943   78.711   21.939   87.907   26.486 -9.196045 34.39231 
1 1 1  -19   22   28 o   86.020   17.315  101.430   35.907   81.729   44.329  139.016   61.231   75.801   22.076   97.202   25.064 -21.40132 33.39978 
1 1 1  -19   22   29 o   83.791   17.360   96.578   35.130   95.285   43.559   98.984   59.418   81.766   21.168   82.129   25.915 -0.3630295 33.46159 
1 1 1  -19   22   30 o   68.446   18.688   65.475   32.839   54.546   39.951   88.242   57.660   63.508   21.334   77.982   25.612 -14.47392 33.33285 
1 1 1  -19   22   31 o  144.333   20.547  291.030   71.966  280.750  169.218  293.300   79.515  118.678   43.563  143.038   23.044 -24.36070 49.28265 
1 1 1  -19   22   32 o   96.003   20.538  131.363   47.748  131.363   47.748   0.0000   0.0000   96.003   20.538  ?   ?  0.000000 20.53792 
1 1 1  -19   22   33 o   77.843   17.852   85.022   33.963   67.613   41.181  122.050   60.057   68.778   21.556   89.493   25.588 -20.71516 33.45766 
1 1 1  -19   23    1 o   79.591   36.277   73.036  159.281   0.0000   0.0000   73.036  159.281  ?   ?    79.591   36.277 0.000000 36.27730 
1 1 1  -19   23    2 o  122.359   24.232  227.600   71.422  235.980   78.970  189.943  167.398  122.392   26.598   95.612   40.505 26.78042 48.45739 
1 1 1  -19   23    3 o   60.528   24.041   42.061   54.279   35.897   57.847   87.454  156.972   59.664   24.415   82.985   37.075 -23.32080 44.39224 
1 1 1  -19   23    4 o   83.004   25.915  106.745   59.583  121.907   64.138   11.236  160.977   87.984   26.788   75.917   35.271 12.06774 44.28996 
1 1 1  -19   23    5 o   50.735   21.823   9.6213   49.916   13.061   52.736 -19.9830  154.704   52.648   22.532   72.595   34.005 -19.94754 40.79284 
1 1 1  -19   23    6 o   63.753   24.049   51.684   52.240   20.233   55.216  320.066  161.295   55.453   23.365  124.280   42.847 -68.82630 48.80364 
1 1 1  -19   23    7 o   91.959   25.533  128.606   60.717  143.584   65.799   42.712  157.569   96.605   26.485   80.568   36.470 16.03668 45.07246 
1 1 1  -19   23    8 o   32.437   15.820 -68.4956   41.712 -69.3485   43.483 -58.6605  147.656   33.327   16.232   69.063   32.620 -35.73589 36.43584 
1 1 1  -19   23    9 o   53.798   22.548   17.952   50.987   17.952   50.987   0.0000   0.0000   53.798   22.548  ?   ?  0.000000 22.54847 
1 1 1  -19   23   10 o  109.474   17.754  164.258   46.874  186.572   65.317  140.566   67.306  113.053   23.885   96.075   26.956 16.97872 36.01570 
1 1 1  -19   23   11 o   83.391   18.189   96.691   36.810  117.675   46.018   59.411   61.338   91.011   20.714   68.720   26.026 22.29107 33.26305 
1 1 1  -19   23   12 o   94.343   16.572  121.010   37.618  100.112   46.772  159.292   63.304   83.400   22.102  104.044   24.729 -20.64450 33.16661 
1 1 1  -19   23   13 o   52.349   19.199   31.998   32.859   23.135   40.449   49.196   56.345   51.673   20.678   64.807   24.849 -13.13411 32.32709 
1 1 1  -19   23   14 o  115.773   14.844  177.992   41.927  193.363   53.051  152.418   68.429  118.909   18.465  100.824   26.741 18.08581 32.49666 
1 1 1  -19   23   15 o   98.194   16.457  130.383   38.926  123.697   48.705  142.205   64.764   93.356   21.355   97.816   26.049 -4.460724 33.68391 
1 1 1  -19   23   16 o   91.501   17.329  114.393   38.147  117.380   47.920  109.226   63.030   90.888   21.458   86.006   26.621 4.882324 34.19251 
1 1 1  -19   23   17 o  135.695   13.584  241.187   45.413  247.817   57.942  230.628   73.123  135.536   17.530  126.781   23.975 8.755402 29.70038 
1 1 1  -19   23   18 o  113.561   15.017  171.321   41.542  156.517   52.319  196.578   68.337  105.825   20.539  116.671   24.247 -10.84641 31.77662 
1 1 1  -19   23   19 o   34.414   15.704 -16.3547   29.957  -7.1107   36.208 -36.4116   53.335   40.677   18.011   43.667   20.292 -2.990456 27.13236 
1 1 1  -19   23   20 o   96.179   16.818  125.468   38.923  116.536   48.859  140.983   64.394   90.411   21.877   97.556   25.972 -7.144562 33.95829 
1 1 1  -19   23   21 o  120.782   14.811  193.217   43.736  190.344   55.537  197.909   70.968  117.451   19.628  116.480   25.136 0.9708939 31.89145 
1 1 1  -19   23   22 o   87.218   18.104  104.897   38.140   82.737   47.198  146.602   64.748   76.197   22.931   99.513   25.830 -23.31654 34.53968 
1 1 1  -19   23   23 o  185.590   13.020  448.017   59.961  517.958   78.816  351.919   92.386  197.564   16.116  156.806   24.386 40.75769 29.23009 
1 1 1  -19   23   24 o   49.385   18.884   25.139   32.488   34.921   38.590   1.3312   60.201   55.354   20.712   53.787   23.540 1.566402 31.35466 
1 1 1  -19   23   25 o   53.693   19.045   35.524   32.009   41.381   38.681   22.802   57.010   57.905   20.893   57.587   23.966 0.3178253 31.79382 
1 1 1  -19   23   26 o  164.404   13.042  352.580   53.103  323.171   68.498  396.877   84.068  154.355   18.115  169.618   20.248 -15.26369 27.16861 
1 1 1  -19   23   27 o  114.982   15.324  176.680   42.905  155.609   54.156  212.198   70.314  104.651   21.444  120.858   24.143 -16.20633 32.29084 
1 1 1  -19   23   28 o   48.565   18.517   24.770   31.178   2.7970   37.062   77.967   57.667   43.662   18.792   74.198   25.617 -30.53634 31.77109 
1 1 1  -19   23   29 f   87.353   17.758  105.770   37.416   91.101   45.534  136.270   65.656   79.299   22.145   94.602   26.653 -15.30274 34.65175 
1 1 1  -19   23   30 o  100.275   25.299  151.316   63.348  180.707  173.285  146.782   68.058  100.379   41.779   97.682   27.000 2.697083 49.74393 
1 1 1  -19   23   31 o  115.281   16.172  180.307   45.276  174.074   57.582  190.400   73.278  109.886   21.754  111.426   26.687 -1.539429 34.43026 
1 1 1  -19   23   32 o   27.327   12.994 -27.8018   24.190 -32.4023   27.234 -10.6020   52.658   28.685   13.681   47.425   21.310 -18.73963 25.32368 
1 1 1  -19   24    4 o   40.301   18.976 -37.9917   49.264 -20.0233   51.728 -213.2158  161.535   44.519   20.435   58.290   28.937 -13.77105 35.42513 
1 1 1  -19   24    5 o   61.032   23.998   45.178   53.584   30.872   56.611  168.321  166.089   57.749   23.944   92.625   39.823 -34.87614 46.46722 
1 1 1  -19   24    6 o   41.979   19.435 -26.6805   48.241  -7.6814   50.577 -218.2421  160.598   46.742   20.952   58.644   29.068 -11.90188 35.83231 
1 1 1  -19   24    7 o   97.350   41.183  188.324  172.656   0.0000   0.0000  188.324  172.656  ?   ?    97.350   41.183 0.000000 41.18310 
1 1 1  -19   24    8 o   57.769   23.366   33.166   52.255   33.166   52.255   0.0000   0.0000   57.769   23.366  ?   ?  0.000000 23.36643 
1 1 1  -19   24    9 o   48.265   20.943   4.5547   46.792   16.340   48.994 -117.7763  157.850   52.174   21.998   65.325   31.608 -13.15076 38.50895 
1 1 1  -19   24   10 o   78.110   24.784   91.119   54.285   82.700   57.431  161.710  166.301   74.989   25.576   95.926   40.490 -20.93711 47.89192 
1 1 1  -19   24   11 o   71.922   24.308   74.426   51.872   66.033   54.633  151.228  165.262   69.127   24.843   94.981   40.242 -25.85442 47.29295 
1 1 1  -19   24   12 o   39.444   18.118 -22.0604   40.761 -28.1766   42.274   58.794  153.704   39.060   18.122   82.278   36.729 -43.21859 40.95616 
1 1 1  -19   24   13 o   46.014   20.111  -0.2787   43.806  -1.5117   45.511   15.259  161.552   46.506   20.407   78.749   36.134 -32.24289 41.49855 
1 1 1  -19   24   14 o   57.510   20.531   42.043   37.255   25.842   47.981   66.638   59.118   54.924   22.328   70.259   25.755 -15.33530 34.08601 
1 1 1  -19   24   15 o   71.835   19.497   72.981   35.869   64.942   43.934   89.049   62.116   68.098   22.356   78.055   26.600 -9.956711 34.74637 
1 1 1  -19   24   16 o  128.463   14.240  218.566   44.912  215.023   56.796  224.480   73.370  124.876   18.796  123.703   24.617 1.173195 30.97234 
1 1 1  -19   24   17 o  104.237   16.258  147.113   40.940  135.051   51.490  167.844   67.503   96.964   21.795  105.863   25.776 -8.898834 33.75526 
1 1 1  -19   24   18 o   80.505   18.858   90.928   37.246   83.367   46.194  104.977   62.968   76.053   22.640   83.822   26.703 -7.768555 35.00870 
1 1 1  -19   24   19 o   61.699   20.039   51.825   35.335   51.937   43.249   51.601   61.280   62.868   22.156   66.341   25.784 -3.473064 33.99566 
1 1 1  -19   24   20 o   85.677   18.563  102.382   38.568   87.723   48.050  128.932   64.667   77.846   23.071   92.380   26.594 -14.53396 35.20687 
1 1 1  -19   24   21 o  134.596   14.218  239.385   47.064  222.873   59.844  266.155   76.197  126.860   19.516  136.223   23.233 -9.363495 30.34210 
1 1 1  -19   24   22 o   73.132   19.293   75.344   35.743   28.699   43.350  174.386   63.168   54.426   21.527  109.342   23.809 -54.91578 32.09779 
1 1 1  -19   24   23 o  149.138   13.906  292.872   51.192  271.075   65.476  327.148   82.107  140.262   19.198  151.929   22.306 -11.66699 29.42938 
1 1 1  -19   24   24 o  167.612   13.262  367.882   55.058  363.905   70.879  373.932   87.426  163.881   17.595  162.636   22.099 1.244553 28.24784 
1 1 1  -19   24   25 o   59.806   19.594   48.394   33.755   38.899   40.359   70.498   61.576   57.058   21.214   71.928   26.297 -14.87055 33.78771 
1 1 1  -19   24   26 o   38.894   16.843  -0.0537   30.141   3.0092   34.973  -8.8962   59.423   42.541   18.281   50.937   22.780 -8.396725 29.20891 
1 1 1  -19   24   27 o  143.221   14.181  271.691   50.053  212.651   63.346  369.813   81.664  122.111   21.562  162.514   20.584 -40.40325 29.80978 
1 1 1  -19   24   28 o   73.008   19.431   75.848   36.051   82.299   43.917   62.520   63.127   75.274   21.987   69.267   26.363 6.007126 34.32827 
1 1 1  -19   24   29 o   60.698   19.738   50.784   34.276   77.947   41.561  -6.9764   60.607   73.357   21.379   51.463   23.011 21.89434 31.40974 
1 1 1  -19   24   30 o  101.121   17.358  141.547   42.252  109.325   52.714  199.447   70.662   85.298   23.829  114.712   25.343 -29.41422 34.78669 
1 1 1  -19   24   31 o   72.999   19.415   76.617   36.007   79.990   43.010   68.715   65.833   73.807   21.816   70.704   26.919 3.102829 34.64939 
1 1 1  -19   25    7 o   66.848   25.098   63.583   56.758   78.688   59.918 -68.3710  177.098   71.935   25.996   69.341   33.533 2.594101 42.42942 
1 1 1  -19   25    8 o   57.368   23.138   35.196   51.079   49.777   53.532 -113.0185  170.677   62.313   24.133   65.989   32.144 -3.675774 40.19508 
1 1 1  -19   25    9 o   81.550   25.560  104.026   57.901  112.682   61.407   34.642  173.855   84.326   26.305   78.371   36.492 5.955040 44.98469 
1 1 1  -19   25   10 o   60.942   23.572   45.711   51.022   46.785   53.481   34.826  170.229   61.785   24.067   78.603   36.432 -16.81812 43.66382 
1 1 1  -19   25   11 o   96.369   25.334  143.694   61.771  143.265   65.565  147.078  184.246   95.348   26.554   92.079   40.706 3.269768 48.60161 
1 1 1  -19   25   12 o   71.730   24.208   75.473   51.442   47.826   53.718  381.098  178.606   62.467   24.180  130.180   45.076 -67.71381 51.15177 
1 1 1  -19   25   13 o   40.227   18.422 -19.7967   41.709 -29.2852   43.047  125.705  168.570   39.080   18.184   90.073   39.406 -50.99281 43.39930 
1 1 1  -19   25   14 o   49.256   20.948   11.134   45.069   22.108   46.693 -138.4753  172.405   52.954   21.833   66.677   32.441 -13.72326 39.10368 
1 1 1  -19   25   15 o   76.523   23.958   86.841   50.885   76.997   53.038  200.738  180.406   72.725   24.580  101.221   42.419 -28.49610 49.02618 
1 1 1  -19   25   16 o   95.154   24.098  135.684   57.321  149.510   60.168  -0.1108  188.566   99.822   24.354   79.922   37.471 19.89979 44.68992 
1 1 1  -19   25   17 o   77.965   24.150   90.164   51.861  102.027   54.003 -50.5318  185.977   82.500   24.461   75.708   36.008 6.792236 43.53029 
1 1 1  -19   25   18 o   91.746   19.408  119.182   43.078  106.062   56.056  138.105   67.322   83.935   24.929   94.334   27.128 -10.39935 36.84295 
1 1 1  -19   25   19 o  178.879   14.831  425.520   65.652  369.460   91.365  485.371   94.402  159.463   23.662  185.999   20.674 -26.53587 31.42133 
1 1 1  -19   25   20 o   73.715   20.034   77.746   37.842   79.676   46.559   73.989   64.955   74.001   22.876   72.923   26.953 1.078415 35.35195 
1 1 1  -19   25   21 o   32.965   15.323 -22.9688   30.448 -16.5644   35.990 -39.0949   57.109   37.902   17.263   44.474   20.777 -6.572659 27.01333 
1 1 1  -19   25   22 o   94.713   17.644  124.364   40.196   95.359   49.713  179.133   68.314   80.320   23.374  108.855   25.566 -28.53582 34.64075 
1 1 1  -19   25   23 o   73.255   19.900   76.766   37.348   52.156   45.664  126.491   64.910   62.894   22.699   90.506   26.813 -27.61225 35.13120 
1 1 1  -19   25   24 o  195.384   13.489  502.448   65.409  517.349   84.805  480.567  102.767  194.823   17.622  182.500   23.065 12.32353 29.02602 
1 1 1  -19   25   25 o   84.085   18.908  100.183   38.739   87.230   47.335  126.452   67.412   76.948   22.920   89.950   27.480 -13.00201 35.78390 
1 1 1  -19   25   26 o   39.167   17.017  -0.1864   30.967  -9.9694   36.229   26.344   59.662   39.511   17.720   58.308   24.412 -18.79675 30.16556 
1 1 1  -19   25   27 o   72.689   20.011   76.154   37.474   87.383   45.467   52.367   66.173   76.961   22.341   66.421   26.493 10.54050 34.65530 
1 1 1  -19   25   28 o   65.412   20.282   61.053   36.569   51.146   43.777   83.931   66.523   61.796   22.235   75.306   27.364 -13.50973 35.25848 
1 1 1  -19   25   29 o   53.020   19.730   34.000   34.924   40.277   42.505   20.956   61.271   57.351   21.679   57.097   24.358 0.2539558 32.60774 
1 1 1  -19   25   30 o   81.155   21.996   98.253   45.691   98.253   45.691   0.0000   0.0000   81.155   21.996  ?   ?  0.000000 21.99593 
1 1 1  -19   26    9 o   86.267   39.204  143.865  184.270   0.0000   0.0000  143.865  184.270  ?   ?    86.267   39.204 0.000000 39.20372 
1 1 1  -19   26   10 o   88.044   25.907  125.424   60.774  117.820   64.225  190.507  187.907   84.655   26.968   92.315   40.945 -7.660072 49.02815 
1 1 1  -19   26   11 o   90.558   25.578  130.986   60.387  112.141   63.755  295.379  188.303   83.073   26.912  106.971   43.943 -23.89754 51.52926 
1 1 1  -19   26   12 o   46.262   20.593  -3.4844   47.954   2.0885   49.613 -82.6430  186.984   48.197   21.224   70.142   34.048 -21.94501 40.12125 
1 1 1  -19   26   13 o   63.338   23.785   54.014   50.978   52.725   52.816   71.564  194.917   63.206   24.100   82.975   38.637 -19.76923 45.53683 
1 1 1  -19   26   14 o   59.592   23.030   43.596   48.673   30.086   50.424  228.079  186.335   55.893   22.824  100.446   42.654 -44.55338 48.37698 
1 1 1  -19   26   15 o   80.202   25.083   99.436   55.793  113.596   58.216 -60.1268  195.420   85.291   25.422   73.829   35.585 11.46236 43.73294 
1 1 1  -19   26   16 o   57.628   22.535   38.203   47.028   35.017   48.503   88.232  192.192   56.999   22.698   85.671   39.348 -28.67179 45.42558 
1 1 1  -19   26   17 o   78.760   24.975   94.892   55.133   90.345   57.310  151.356  201.959   76.963   25.546   92.677   41.680 -15.71452 48.88613 
1 1 1  -19   26   18 o   72.766   24.450   78.623   52.476   71.792   54.080  188.641  217.028   70.331   24.776   96.956   43.436 -26.62480 50.00519 
1 1 1  -19   26   19 o   64.413   23.652   56.086   49.886   50.590   51.224  157.249  219.765   62.763   23.781   94.140   42.794 -31.37711 48.95752 
1 1 1  -19   26   20 o   63.908   23.161   55.517   47.613   47.911   48.636  230.651  233.378   61.395   23.194  101.346   45.248 -39.95039 50.84593 
1 1 1  -19   26   21 o   45.618   19.751   4.0846   41.436   3.0403   42.090   36.911  235.983   45.639   19.834   85.435   40.612 -39.79570 45.19670 
1 1 1  -19   26   22 o   71.152   23.410   74.391   48.165   76.784   49.331   25.539  222.889   72.103   23.690   83.572   39.652 -11.46963 46.18987 
1 1 1  -19   26   23 o   79.878   23.850   96.580   51.209   90.723   52.464  214.555  235.458   77.429   24.341   99.479   44.847 -22.04963 51.02673 
1 1 1  -19   26   24 o   73.545   23.364   80.581   48.230   76.336   49.251  179.814  238.128   71.830   23.674   96.019   43.989 -24.18875 49.95503 
1 1 1  -19   26   25 o   69.177   23.193   69.889   47.218   68.211   48.075  115.707  251.171   68.552   23.401   90.900   42.815 -22.34803 48.79293 
1 1 1  -19   26   26 o   40.085   17.452   0.3408   32.707   12.765   38.337 -32.8850   62.693   46.565   19.536   47.223   21.963 -0.6577759 29.39475 
1 1 1  -19   26   27 o   80.982   19.862   95.568   39.860   58.400   48.541  172.528   69.848   64.694   23.395  104.142   26.725 -39.44792 35.51795 
1 1 1  -19   26   28 o   95.226   28.921  151.190   74.826   0.0000   0.0000  151.190   74.826  ?   ?    95.226   28.921 0.000000 28.92063 
1 1 1  -19   27   12 o   81.264   38.301   99.404  201.582   0.0000   0.0000   99.404  201.582  ?   ?    81.264   38.301 0.000000 38.30109 
1 1 1  -19   27   13 o   55.262   22.733   31.020   50.483   32.265   52.138   12.329  201.995   56.035   23.083   75.663   36.396 -19.62774 43.09851 
1 1 1  -19   27   14 o   49.856   21.523   11.905   48.914   1.7322   50.452  171.170  199.622   48.048   21.268   89.055   40.599 -41.00674 45.83258 
1 1 1  -19   27   15 o   54.986   22.585   29.818   49.729   45.055   51.350 -200.1367  199.486   59.893   23.511   64.398   32.002 -4.504425 39.70998 
1 1 1  -19   27   16 o   66.385   24.085   64.247   51.510   84.377   53.316 -217.8895  199.600   73.709   24.646   63.867   31.782 9.842709 40.21838 
1 1 1  -19   27   17 o   95.394   25.587  145.336   62.209  149.432   65.045  101.395  213.031   96.132   26.323   84.800   39.780 11.33272 47.70085 
1 1 1  -19   27   18 o   45.085   20.194  -6.3232   46.885  -4.2799   47.768 -60.0825  245.017   45.913   20.487   77.029   37.733 -31.11545 42.93624 
1 1 1  -19   27   19 o   52.264   21.617   23.338   45.978   27.218   46.924 -70.0128  230.167   53.701   21.984   75.403   36.859 -21.70178 42.91750 
1 1 1  -19   27   20 o   76.364   24.391   90.323   52.511   97.095   53.824 -43.4177  239.201   78.862   24.632   77.741   37.909 1.120682 45.20902 
1 1 1  -19   27   21 o   95.645   24.758  143.295   59.592  148.609   61.341   54.095  251.309   97.175   25.101   84.112   40.494 13.06232 47.64301 
1 1 1  -19   27   22 o   74.225   24.182   84.605   51.443   84.251   52.445   93.609  264.422   74.041   24.431   86.966   41.784 -12.92493 48.40237 
1 1 1  -19   27   23 o   53.473   21.354   30.221   43.036   29.479   43.709   53.747  246.214   53.437   21.456   83.666   40.230 -30.22883 45.59359 
1 1 1  -19   27   24 o   79.077   23.760   96.873   50.704   92.716   51.696  202.107  260.119   77.285   24.140   93.527   43.901 -16.24198 50.10031 
1 1 1  -19   27   25 o   47.211   20.129   11.217   41.806   17.588   42.385 -217.1213  253.743   49.256   20.595   70.768   35.315 -21.51232 40.88205 
1 1 1  -19   27   26 o   61.036   22.576   50.996   45.589   53.132   46.232 -24.1910  274.294   61.899   22.763   80.200   39.416 -18.30138 45.51674 
1 1 1  -19   28   16 o   46.411   20.690  -0.2090   48.601   3.5169   49.945 -66.6431  210.898   47.742   21.145   69.995   34.433 -22.25390 40.40695 
1 1 1  -19   28   17 o   41.498   19.244 -23.1029   47.589  -7.2440   48.778 -336.5745  216.862   45.069   20.356   59.864   30.240 -14.79539 36.45279 
1 1 1  -19   28   18 o   43.511   19.846 -13.1696   47.777 -21.1278   48.699  191.060  246.701   42.404   19.595   87.650   41.624 -45.24507 46.00589 
1 1 1  -19   28   19 o   52.751   22.123   24.151   49.128   30.993   50.077 -151.2650  253.551   54.902   22.620   70.812   35.332 -15.90993 41.95234 
1 1 1  -19   28   20 o   49.313   21.129   14.284   46.469   20.335   47.261 -161.7375  254.914   51.187   21.595   70.679   35.291 -19.49166 41.37358 
1 1 1  -19   28   21 o   60.584   23.345   49.613   49.898   37.638   50.805  375.951  265.219   57.060   23.054  101.341   46.426 -44.28120 51.83506 
1 1 1  -19   28   22 o   47.710   20.565   10.805   44.513  -2.5977   45.118  500.160  272.628   44.694   19.929  111.304   49.345 -66.60974 53.21778 
1 1 1  -19   28   23 o   75.595   24.476   91.440   52.740   86.362   53.701  229.528  280.049   73.591   24.734   90.268   43.272 -16.67622 49.84211 
1 1 1  -18  -35    1 o   55.721   21.790   56.356   43.969   0.0000   0.0000   56.356   43.969  ?   ?    55.721   21.790 0.000000 21.78972 
1 1 1  -18  -34    1 o  110.498   24.588  221.112   66.097   0.0000   0.0000  221.112   66.097  ?   ?   110.498   24.588 0.000000 24.58758 
1 1 1  -18  -34    2 o   40.322   18.246   1.2359   39.398   0.0000   0.0000   1.2359   39.398  ?   ?    40.322   18.246 0.000000 18.24596 
1 1 1  -18  -34    3 o   60.265   22.774   69.060   46.901   0.0000   0.0000   69.060   46.901  ?   ?    60.265   22.774 0.000000 22.77428 
1 1 1  -18  -34    4 o   33.148   15.778 -23.3739   35.844   0.0000   0.0000 -23.3739   35.844  ?   ?    33.148   15.778 0.000000 15.77757 
1 1 1  -18  -33    1 f   48.547   20.355   24.427   41.573 -14.4587  164.023   27.097   42.977   62.444   30.647   49.689   20.754 12.75534 37.01295 
1 1 1  -18  -33    2 o   59.955   22.533   59.440   45.772 -80.9453  170.959   70.280   47.506   58.204   29.036   63.766   23.131 -5.561382 37.12360 
1 1 1  -18  -33    3 o   53.344   21.541   41.905   44.331   0.0000   0.0000   41.905   44.331  ?   ?    53.344   21.541 0.000000 21.54108 
1 1 1  -18  -33    4 o   64.872   23.696   79.377   49.979   0.0000   0.0000   79.377   49.979  ?   ?    64.872   23.696 0.000000 23.69573 
1 1 1  -18  -33    5 o   36.183   16.946 -15.6061   38.395   0.0000   0.0000 -15.6061   38.395  ?   ?    36.183   16.946 0.000000 16.94649 
1 1 1  -18  -32    1 o   53.209   21.327   35.036   43.103   48.986  160.378   33.950   44.750   70.014   33.339   53.220   21.589 16.79443 39.71846 
1 1 1  -18  -32    2 o  135.879   21.288  288.540   69.861  186.373  175.735  307.716   76.135   80.697   37.266  138.378   22.829 -57.68107 43.70286 
1 1 1  -18  -32    3 o   65.872   22.789   72.571   45.646  184.640  169.401   63.797   47.399   78.703   36.431   62.471   23.037 16.23211 43.10339 
1 1 1  -18  -32    4 o   60.886   23.100   61.294   48.375   0.0000   0.0000   61.294   48.375  ?   ?    60.886   23.100 0.000000 23.10032 
1 1 1  -18  -32    5 o   49.550   20.930   28.251   44.489   0.0000   0.0000   28.251   44.489  ?   ?    49.550   20.930 0.000000 20.93042 
1 1 1  -18  -32    6 f   44.314   19.656   11.351   43.314   0.0000   0.0000   11.351   43.314  ?   ?    44.314   19.656 0.000000 19.65631 
1 1 1  -18  -31    1 o   83.916   37.245  151.637  155.733  151.637  155.733   0.0000   0.0000   83.916   37.245  ?   ?  0.000000 37.24475 
1 1 1  -18  -31    2 f   76.749   23.974   96.686   50.985  139.095  155.616   91.586   53.964   80.844   36.451   74.307   24.795 6.536736 44.08498 
1 1 1  -18  -31    3 o   52.402   21.275   31.643   43.497  178.943  155.202   19.087   45.313   83.991   37.234   49.267   20.980 34.72438 42.73825 
1 1 1  -18  -31    4 o   42.574   18.918   1.3509   40.297 -184.7462  159.893   13.973   41.642   55.055   27.558   46.337   19.932 8.718128 34.01044 
1 1 1  -18  -31    5 o   65.738   23.536   72.340   48.993   0.0000   0.0000   72.340   48.993  ?   ?    65.738   23.536 0.000000 23.53612 
1 1 1  -18  -31    6 o   57.949   22.691   51.887   47.729   0.0000   0.0000   51.887   47.729  ?   ?    57.949   22.691 0.000000 22.69077 
1 1 1  -18  -31    7 o   71.701   24.252   94.532   51.634   0.0000   0.0000   94.532   51.634  ?   ?    71.701   24.252 0.000000 24.25228 
1 1 1  -18  -31    8 o   97.043   25.554  178.632   62.781   0.0000   0.0000  178.632   62.781  ?   ?    97.043   25.554 0.000000 25.55410 
1 1 1  -18  -30    1 o   58.000   22.189   42.837   44.865  202.862  140.219   24.586   47.354   97.094   38.616   52.894   21.913 44.20024 44.40022 
1 1 1  -18  -30    2 o   97.608   39.759  225.275  152.527  225.275  152.527   0.0000   0.0000   97.608   39.759  ?   ?  0.000000 39.75929 
1 1 1  -18  -30    3 o   86.784   23.988  121.065   53.719  231.796  151.293  105.090   57.464   96.738   39.523   79.752   25.520 16.98524 47.04638 
1 1 1  -18  -30    4 o   92.238   24.421  139.263   57.135 -13.7683  155.863  163.020   61.410   66.877   32.118   99.771   24.764 -32.89401 40.55662 
1 1 1  -18  -30    5 o  103.108   23.202  170.522   58.298  161.039  152.129  172.154   63.116   82.568   36.721  101.622   25.035 -19.05439 44.44278 
1 1 1  -18  -30    6 o   57.509   22.759   45.850   48.484   0.0000   0.0000   45.850   48.484  ?   ?    57.509   22.759 0.000000 22.75927 
1 1 1  -18  -30    7 o   80.190   24.608  112.349   53.988   0.0000   0.0000  112.349   53.988  ?   ?    80.190   24.608 0.000000 24.60768 
1 1 1  -18  -30    8 o  126.831   24.625  275.548   75.180   0.0000   0.0000  275.548   75.180  ?   ?   126.831   24.625 0.000000 24.62473 
1 1 1  -18  -30    9 o   44.861   19.760   11.203   43.034   0.0000   0.0000   11.203   43.034  ?   ?    44.861   19.760 0.000000 19.76046 
1 1 1  -18  -29    1 o  114.043   22.188  190.377   60.914  116.895  142.757  206.735   67.354   87.016   37.152  117.750   23.726 -30.73360 44.08155 
1 1 1  -18  -29    2 o   92.199   23.494  129.428   54.248  227.517  141.037  112.395   58.770  104.674   39.508   84.640   25.614 20.03495 47.08472 
1 1 1  -18  -29    3 o   70.773   32.863   11.408  139.443   11.408  139.443   0.0000   0.0000   70.773   32.863  ?   ?  0.000000 32.86294 
1 1 1  -18  -29    4 o  104.062   24.214  169.719   61.740   65.577  148.518  191.476   67.884   76.385   34.899  109.718   25.294 -33.33246 43.10152 
1 1 1  -18  -29    5 o   73.951   24.287   87.207   51.852 -155.0176  133.307  130.388   56.285   54.479   26.909   89.986   24.423 -35.50683 36.33940 
1 1 1  -18  -29    6 o   61.948   23.113   56.074   47.989   96.662  142.224   50.859   50.979   76.713   34.694   60.552   23.522 16.16143 41.91638 
1 1 1  -18  -29    7 o   43.343   19.417  -2.6670   43.370   0.0000   0.0000  -2.6670   43.370  ?   ?    43.343   19.417 0.000000 19.41725 
1 1 1  -18  -29    8 o  181.362   23.938  531.094  105.763   0.0000   0.0000  531.094  105.763  ?   ?   181.362   23.938 0.000000 23.93775 
1 1 1  -18  -29    9 o  125.234   24.451  262.261   73.723   0.0000   0.0000  262.261   73.723  ?   ?   125.234   24.451 0.000000 24.45126 
1 1 1  -18  -29   10 o   46.348   20.222   13.666   44.127   0.0000   0.0000   13.666   44.127  ?   ?    46.348   20.222 0.000000 20.22209 
1 1 1  -18  -28    1 o  133.366   20.643  249.000   66.527  285.160  147.900  239.828   74.488  123.131   41.047  128.413   24.114 -5.282616 47.60590 
1 1 1  -18  -28    2 o   95.559   23.806  135.584   56.599   24.823  133.493  159.859   62.494   75.102   33.821  103.461   24.557 -28.35954 41.79585 
1 1 1  -18  -28    3 o   76.165   24.449   86.555   52.711  103.504  137.914   83.656   57.042   85.345   36.479   75.063   25.490 10.28197 44.50264 
1 1 1  -18  -28    4 o  115.092   23.110  197.382   64.111  100.553  142.975  221.752   71.727   83.746   36.474  120.894   24.596 -37.14760 43.99202 
1 1 1  -18  -28    5 o  215.352   19.178  655.484  102.053  642.169  177.105  662.103  124.868  181.124   40.205  209.336   24.341 -28.21252 46.99969 
1 1 1  -18  -28    6 f   67.040   24.317   66.413   52.500  112.665  133.140   57.898   57.129   81.834   35.418   64.726   24.969 17.10725 43.33467 
1 1 1  -18  -28    7 o   46.419   20.134   7.8341   43.209   10.021  130.554   7.5651   45.790   67.400   31.463   47.358   20.633 20.04123 37.62522 
1 1 1  -18  -28    8 o  154.543   20.756  356.678   78.076  202.900  160.511  404.340   89.360   90.214   38.968  162.171   22.687 -71.95650 45.09060 
1 1 1  -18  -28    9 o   60.219   23.492   51.236   51.015   0.0000   0.0000   51.236   51.015  ?   ?    60.219   23.492 0.000000 23.49239 
1 1 1  -18  -28   10 o   80.657   25.488  113.182   57.459   0.0000   0.0000  113.182   57.459  ?   ?    80.657   25.488 0.000000 25.48815 
1 1 1  -18  -28   11 o   71.934   24.970   90.737   54.825   0.0000   0.0000   90.737   54.825  ?   ?    71.934   24.970 0.000000 24.97025 
1 1 1  -18  -27    1 o   58.588   23.033   33.711   49.349 -114.2782  123.357   61.907   53.845   60.227   28.831   69.072   24.680 -8.845135 37.95171 
1 1 1  -18  -27    2 o   94.460   24.333  130.055   57.750  198.767  148.428  117.798   62.690  107.496   40.540   89.223   26.329 18.27270 48.34003 
1 1 1  -18  -27    3 o  207.578   18.984  587.194   97.318  476.204  170.018  641.280  118.684  161.944   41.769  213.365   22.620 -51.42131 47.50047 
1 1 1  -18  -27    4 o  112.522   22.553  183.096   61.165  193.458  136.596  180.497   68.407  103.502   38.921  109.697   25.462 -6.194679 46.50953 
1 1 1  -18  -27    5 o  115.986   22.539  196.258   62.930  123.927  129.305  218.707   72.037   88.551   36.400  120.908   24.694 -32.35696 43.98551 
1 1 1  -18  -27    6 o  122.707   40.281  306.318  142.632  306.318  142.632   0.0000   0.0000  122.707   40.281  ?   ?  0.000000 40.28061 
1 1 1  -18  -27    7 f   65.298   23.402   60.733   48.446  121.231  127.605   50.544   52.367   84.781   35.610   62.336   23.943 22.44508 42.91055 
1 1 1  -18  -27    8 o  138.023   21.044  280.046   70.238  155.833  148.336  315.945   79.745   88.454   37.821  144.922   22.787 -56.46869 44.15512 
1 1 1  -18  -27    9 o   39.153   18.199 -24.5133   42.939   13.218  133.598 -28.8600   45.345   68.200   31.834   39.544   18.487 28.65615 36.81252 
1 1 1  -18  -27   10 o   49.918   21.332   17.002   47.146   0.0000   0.0000   17.002   47.146  ?   ?    49.918   21.332 0.000000 21.33233 
1 1 1  -18  -27   11 o   50.061   21.426   18.411   47.694   0.0000   0.0000   18.411   47.694  ?   ?    50.061   21.426 0.000000 21.42642 
1 1 1  -18  -27   12 o   40.299   18.585 -15.9246   43.493   0.0000   0.0000 -15.9246   43.493  ?   ?    40.299   18.585 0.000000 18.58548 
1 1 1  -18  -26    1 o  108.827   22.719  165.087   59.748  177.443  125.468  161.464   67.946  107.450   37.748  106.172   25.866 1.278664 45.75935 
1 1 1  -18  -26    2 o  146.830   20.123  292.465   71.843  153.694  135.781  346.419   84.665  101.589   38.664  158.862   21.926 -57.27299 44.44822 
1 1 1  -18  -26    3 o  161.666   23.359  365.343   91.567   0.0000   0.0000  365.343   91.567  ?   ?   161.666   23.359 0.000000 23.35871 
1 1 1  -18  -26    4 o  142.717   19.630  278.621   68.107  402.345  132.019  233.751   79.504  159.281   34.212  126.487   26.038 32.79472 42.99351 
1 1 1  -18  -26    5 o  121.925   21.742  210.022   63.769  137.442  127.327  234.321   73.674   94.221   37.011  127.360   24.047 -33.13832 44.13680 
1 1 1  -18  -26    6 o  216.880   18.617  642.457   99.852  677.389  171.717  624.611  122.737  202.536   35.231  208.075   24.065 -5.538635 42.66563 
1 1 1  -18  -26    7 o   86.243   35.772  110.993  126.410  110.993  126.410   0.0000   0.0000   86.243   35.772  ?   ?  0.000000 35.77155 
1 1 1  -18  -26    8 o   67.042   23.784   63.664   49.920   91.075  129.512   58.880   54.101   81.646   35.135   65.871   24.548 15.77477 42.86116 
1 1 1  -18  -26    9 f   79.742   24.593   98.907   53.848   14.255  134.551  115.051   58.758   70.808   32.668   85.234   25.571 -14.42633 41.48525 
1 1 1  -18  -26   10 o   83.728   24.281  110.785   53.730  108.954  140.142  111.101   58.176   81.607   35.810   83.028   25.555 -1.420921 43.99374 
1 1 1  -18  -26   11 o   54.648   22.350   31.414   48.443   0.0000   0.0000   31.414   48.443  ?   ?    54.648   22.350 0.000000 22.35002 
1 1 1  -18  -26   12 o   58.543   23.635   42.761   53.357   0.0000   0.0000   42.761   53.357  ?   ?    58.543   23.635 0.000000 23.63523 
1 1 1  -18  -26   13 o   81.633   25.995  115.105   59.678   0.0000   0.0000  115.105   59.678  ?   ?    81.633   25.995 0.000000 25.99478 
1 1 1  -18  -25    1 o   83.076   24.901   95.253   55.741  152.111  119.892   79.573   62.959  103.383   36.839   77.992   26.776 25.39101 45.54224 
1 1 1  -18  -25    2 o  149.209   19.993  298.276   72.620  237.449  136.050  322.512   85.878  122.831   39.263  153.577   23.108 -30.74583 45.55890 
1 1 1  -18  -25    3 o  141.935   21.083  273.606   72.457   71.274  135.920  353.932   85.640   87.860   36.820  161.300   21.822 -73.44009 42.80025 
1 1 1  -18  -25    4 o   92.303   26.696  123.062   65.030   0.0000   0.0000  123.062   65.030  ?   ?    92.303   26.696 0.000000 26.69645 
1 1 1  -18  -25    5 o   82.171   24.501   96.212   54.067   58.691  114.910  106.880   61.273   80.417   33.785   86.064   26.178 -5.646492 42.74053 
1 1 1  -18  -25    6 o  118.891   21.972  198.558   62.830  111.039  125.314  227.946   72.616   90.423   36.321  126.372   23.886 -35.94939 43.47161 
1 1 1  -18  -25    7 o  179.226   19.145  438.398   84.360  282.487  148.600  512.540  102.474  123.871   41.137  191.581   21.808 -67.71033 46.55970 
1 1 1  -18  -25    8 o   97.715   37.450  162.770  127.948  162.770  127.948   0.0000   0.0000   97.715   37.450  ?   ?  0.000000 37.45002 
1 1 1  -18  -25    9 o   79.548   24.482   94.982   53.392  100.816  123.874   93.651   59.170   84.177   35.204   78.783   25.948 5.394402 43.73331 
1 1 1  -18  -25   10 o   40.301   18.559 -22.3561   43.141 -79.4071  121.861 -14.1816   46.128   59.853   28.653   43.435   19.691 16.41877 34.76667 
1 1 1  -18  -25   11 o   80.630   24.514  101.395   53.740   45.978  134.576  111.909   58.616   74.310   33.665   83.956   25.619 -9.646553 42.30450 
1 1 1  -18  -25   12 o  124.688   24.978  243.727   75.064   0.0000   0.0000  243.727   75.064  ?   ?   124.688   24.978 0.000000 24.97816 
1 1 1  -18  -25   13 o   49.256   21.384   10.952   48.827   0.0000   0.0000   10.952   48.827  ?   ?    49.256   21.384 0.000000 21.38353 
1 1 1  -18  -25   14 o   64.912   25.036   62.965   57.428   0.0000   0.0000   62.965   57.428  ?   ?    64.912   25.036 0.000000 25.03563 
1 1 1  -18  -24    1 o  108.083   14.677  151.924   38.590  233.435  121.363  142.756   40.702  125.443   36.525  104.284   16.152 21.15925 39.93689 
1 1 1  -18  -24    2 o  207.137   12.806  548.284   65.914  602.886  155.412  536.308   72.784  206.513   31.101  204.255   14.361 2.257828 34.25635 
1 1 1  -18  -24    3 o  148.671   19.749  294.167   71.504  269.679  132.061  304.323   85.050  132.527   37.961  149.387   23.581 -16.85938 44.68903 
1 1 1  -18  -24    4 o  214.976   18.211  607.774   96.845  497.514  155.344  677.871  123.861  182.260   35.407  224.283   22.415 -42.02335 41.90599 
1 1 1  -18  -24    5 o   62.758   24.764   36.823   57.247   0.0000   0.0000   36.823   57.247  ?   ?    62.758   24.764 0.000000 24.76421 
1 1 1  -18  -24    6 o  135.556   20.162  249.407   66.173  205.207  124.112  266.963   78.218  113.600   37.588  138.478   23.456 -24.87864 44.30673 
1 1 1  -18  -24    7 o  194.664   17.786  504.636   85.505  668.057  152.879  430.244  103.147  213.517   29.457  175.108   24.238 38.40862 38.14708 
1 1 1  -18  -24    8 o  208.094   18.368  582.205   94.471  534.962  160.579  607.211  116.828  181.705   36.654  208.668   22.791 -26.96298 43.16154 
1 1 1  -18  -24    9 o   54.215   26.219 -123.3074  108.286 -123.3074  108.286   0.0000   0.0000   54.215   26.219  ?   ?  0.000000 26.21940 
1 1 1  -18  -24   10 o   54.722   22.469   23.963   49.202   7.8242  118.139   27.349   54.118   70.280   31.718   57.283   23.548 12.99770 39.50321 
1 1 1  -18  -24   11 o   69.785   24.177   69.743   51.386  155.911  126.531   52.725   56.232   94.086   36.915   64.656   24.816 29.43025 44.48102 
1 1 1  -18  -24   12 f   63.619   23.843   53.998   51.179 -116.2781  130.014   85.222   55.674   58.515   28.401   74.909   25.184 -16.39418 37.95833 
1 1 1  -18  -24   13 o  133.047   25.127  274.119   80.421   0.0000   0.0000  274.119   80.421  ?   ?   133.047   25.127 0.000000 25.12659 
1 1 1  -18  -24   14 o   75.166   26.282   90.693   60.790   0.0000   0.0000   90.693   60.790  ?   ?    75.166   26.282 0.000000 26.28207 
1 1 1  -18  -24   15 o   59.305   23.949   43.361   54.794   0.0000   0.0000   43.361   54.794  ?   ?    59.305   23.949 0.000000 23.94859 
1 1 1  -18  -24   16 o   52.184   22.192   22.733   50.576   0.0000   0.0000   22.733   50.576  ?   ?    52.184   22.192 0.000000 22.19238 
1 1 1  -18  -23    1 o  214.305   15.962  590.799   84.811  699.180  151.823  541.638  102.252  227.182   27.309  203.253   20.422 23.92909 34.10036 
1 1 1  -18  -23    2 o   52.057   18.238   31.516   29.279  169.753  114.079   21.768   30.294  109.523   36.027   48.030   18.267 61.49311 40.39343 
1 1 1  -18  -23    3 o   76.650   17.810   78.793   33.440 -72.9078  111.733   93.718   35.046   63.387   29.428   83.829   17.315 -20.44200 34.14371 
1 1 1  -18  -23    4 o  153.299   19.574  310.922   73.223  264.362  124.317  335.654   90.607  132.977   36.383  157.365   23.800 -24.38852 43.47589 
1 1 1  -18  -23    5 f  128.680   21.236  223.380   65.860   79.470  115.389  292.915   80.208   87.388   34.941  147.083   22.558 -59.69434 41.59000 
1 1 1  -18  -23    6 o   97.122   26.027  133.487   64.405   0.0000   0.0000  133.487   64.405  ?   ?    97.122   26.027 0.000000 26.02742 
1 1 1  -18  -23    7 o  112.898   22.219  176.055   60.411  260.709  120.163  147.423   69.884  129.600   35.897  101.203   27.108 28.39703 44.98259 
1 1 1  -18  -23    8 o  158.165   19.070  335.608   73.802  376.679  134.850  318.047   88.180  155.533   35.502  150.855   24.228 4.677872 42.98110 
1 1 1  -18  -23    9 o  148.322   19.629  298.720   70.917  278.113  133.923  306.750   83.600  128.962   38.585  147.948   23.407 -18.98529 45.12972 
1 1 1  -18  -23   10 o   87.027   35.402   97.250  120.726   97.250  120.726   0.0000   0.0000   87.027   35.402  ?   ?  0.000000 35.40222 
1 1 1  -18  -23   11 o  116.773   22.625  195.475   63.592  171.078  129.555  203.219   72.990  100.513   37.883  117.019   25.683 -16.50652 45.76814 
1 1 1  -18  -23   12 o   77.308   25.065   88.451   55.295  150.619  143.392   77.591   59.931   94.591   38.543   73.612   26.066 20.97885 46.52905 
1 1 1  -18  -23   13 o  106.148   39.353  222.931  138.677  222.931  138.677   0.0000   0.0000  106.148   39.353  ?   ?  0.000000 39.35257 
1 1 1  -18  -23   14 o  110.279   26.543  192.594   72.214   0.0000   0.0000  192.594   72.214  ?   ?   110.279   26.543 0.000000 26.54284 
1 1 1  -18  -23   15 o   46.219   20.767  -6.7928   49.999   0.0000   0.0000  -6.7928   49.999  ?   ?    46.219   20.767 0.000000 20.76709 
1 1 1  -18  -23   16 o   73.941   26.111   87.636   60.098   0.0000   0.0000   87.636   60.098  ?   ?    73.941   26.111 0.000000 26.11058 
1 1 1  -18  -23   17 o   60.922   24.348   49.105   56.001   0.0000   0.0000   49.105   56.001  ?   ?    60.922   24.348 0.000000 24.34794 
1 1 1  -18  -22    1 f  197.271   13.897  496.461   68.021  275.737  141.904  562.307   77.506  137.213   39.364  209.681   14.899 -72.46754 42.08923 
1 1 1  -18  -22    2 o  125.444   16.707  204.746   51.034  280.415  117.045  186.984   56.708  140.181   33.824  118.832   19.807 21.34904 39.19706 
1 1 1  -18  -22    3 o  121.434   13.708  189.689   40.841  246.861  119.444  182.120   43.460  130.489   35.646  118.613   15.008 11.87582 38.67669 
1 1 1  -18  -22    4 o   58.266   17.779   44.067   28.230  -2.2073   98.728   48.187   29.459   69.239   30.228   60.655   18.085 8.583748 35.22504 
1 1 1  -18  -22    5 o  180.640   12.178  415.788   54.611  465.376  128.750  404.909   60.305  183.141   29.128  177.780   13.689 5.360458 32.18394 
1 1 1  -18  -22    6 o  168.658   18.398  373.088   76.231  372.335  133.708  373.451   92.789  159.548   34.559  166.621   22.907 -7.073334 41.46139 
1 1 1  -18  -22    7 o   96.477   26.694  131.045   66.487   0.0000   0.0000  131.045   66.487  ?   ?    96.477   26.694 0.000000 26.69438 
1 1 1  -18  -22    8 o  134.419   20.834  243.968   67.670   96.727  120.902  311.137   81.659   90.977   35.960  151.353   22.271 -60.37579 42.29833 
1 1 1  -18  -22    9 o  139.029   20.268  261.155   68.297  196.679  125.963  288.001   81.281  112.414   37.881  144.440   23.330 -32.02615 44.48838 
1 1 1  -18  -22   10 f   60.743   23.506   37.955   50.757   18.678  113.550   42.768   56.742   74.059   32.373   63.967   24.825 10.09245 40.79570 
1 1 1  -18  -22   12 o   97.421   37.279  150.409  126.656  150.409  126.656   0.0000   0.0000   97.421   37.279  ?   ?  0.000000 37.27877 
1 1 1  -18  -22   13 o  114.682   23.017  190.365   63.625  164.005  132.937  198.197   72.463   98.300   38.041  115.074   25.848 -16.77398 45.99168 
1 1 1  -18  -22   14 o   84.972   25.302  109.818   57.688   37.882  133.401  126.365   63.980   76.100   34.076   90.325   26.583 -14.22551 43.21818 
1 1 1  -18  -22   15 f   65.252   25.135   55.204   57.826   0.0000   0.0000   55.204   57.826  ?   ?    65.252   25.135 0.000000 25.13471 
1 1 1  -18  -22   16 o   74.075   26.277   84.355   60.932   0.0000   0.0000   84.355   60.932  ?   ?    74.075   26.277 0.000000 26.27678 
1 1 1  -18  -22   17 o   67.561   25.452   66.686   58.464   0.0000   0.0000   66.686   58.464  ?   ?    67.561   25.452 0.000000 25.45154 
1 1 1  -18  -22   18 o   41.690   19.483 -29.4529   50.275   0.0000   0.0000 -29.4529   50.275  ?   ?    41.690   19.483 0.000000 19.48272 
1 1 1  -18  -21    1 f  150.238   12.971  287.668   48.187  276.473  116.760  289.966   52.902  139.981   33.787  150.531   14.243 -10.54994 36.66665 
1 1 1  -18  -21    2 o  147.104   13.729  276.681   49.851  165.265  117.535  301.122   55.048  109.964   36.588  153.300   14.554 -43.33630 39.37656 
1 1 1  -18  -21    3 o  144.138   14.952  267.065   53.035  528.742  111.271  190.142   60.329  200.298   22.644  119.595   20.965 80.70311 30.85883 
1 1 1  -18  -21    4 o  171.292   12.020  372.876   51.092  425.795  117.972  360.659   56.683  177.022   27.586  168.029   13.626 8.992981 30.76791 
1 1 1  -18  -21    5 o  102.152   14.256  135.210   35.376  169.040  107.097  131.067   37.480  109.678   34.812  100.231   15.472 9.447273 38.09587 
1 1 1  -18  -21    6 o  192.153   12.166  469.713   58.075  577.065  134.463  445.096   64.390  206.307   26.728  186.492   13.927 19.81465 30.13879 
1 1 1  -18  -21    7 o  149.604   13.242  286.883   48.958  148.338  118.910  315.163   53.723  104.118   36.732  156.664   13.876 -52.54556 39.26550 
1 1 1  -18  -21    8 o  115.671   25.816  186.258   72.679   0.0000   0.0000  186.258   72.679  ?   ?   115.671   25.816 0.000000 25.81574 
1 1 1  -18  -21    9 o  181.132   18.405  431.585   82.092  438.701  140.351  427.884  101.211  173.081   33.684  177.675   23.379 -4.593857 41.00275 
1 1 1  -18  -21   10 o  172.212   23.680  405.990   99.139   0.0000   0.0000  405.990   99.139  ?   ?   172.212   23.680 0.000000 23.67969 
1 1 1  -18  -21   11 o   51.260   22.128   2.0666   51.692   42.175  110.852  -9.0786   58.434   77.828   32.966   51.758   22.901 26.06982 40.13966 
1 1 1  -18  -21   12 o  122.612   38.165  247.436  129.338  247.436  129.338   0.0000   0.0000  122.612   38.165  ?   ?  0.000000 38.16475 
1 1 1  -18  -21   13 o   73.421   25.045   74.143   55.071   41.966  118.783   82.953   62.154   77.535   33.506   77.138   26.598 0.3970947 42.77973 
1 1 1  -18  -21   14 o   67.234   24.423   58.993   52.987   79.308  124.699   54.517   58.534   83.264   35.099   66.799   25.395 16.46436 43.32253 
1 1 1  -18  -21   15 o   84.529   25.444  107.648   58.108   18.114  132.675  128.898   64.637   74.222   33.544   91.656   26.646 -17.43469 42.83928 
1 1 1  -18  -21   16 o  125.396   26.108  240.653   79.097   0.0000   0.0000  240.653   79.097  ?   ?   125.396   26.108 0.000000 26.10834 
1 1 1  -18  -21   17 o  149.850   24.946  340.956   90.068   0.0000   0.0000  340.956   90.068  ?   ?   149.850   24.946 0.000000 24.94630 
1 1 1  -18  -21   18 o  106.604   27.301  185.404   72.997   0.0000   0.0000  185.404   72.997  ?   ?   106.604   27.301 0.000000 27.30122 
1 1 1  -18  -21   19 o   57.224   23.940   31.718   57.314   0.0000   0.0000   31.718   57.314  ?   ?    57.224   23.940 0.000000 23.93996 
1 1 1  -18  -20    1 o  411.414   15.913  2153.22  163.484  2349.91  297.670  2068.26  195.630  420.494   28.517  401.348   19.519 19.14572 34.55731 
1 1 1  -18  -20    2 o  357.937   15.029  1627.40  134.336  1702.09  248.068  1596.41  159.794  357.725   27.993  352.681   18.206 5.044373 33.39253 
1 1 1  -18  -20    3 o  164.077   16.090  346.088   65.077  251.191  114.111  391.829   79.223  133.356   34.125  173.899   18.529 -40.54323 38.83075 
1 1 1  -18  -20    4 o  360.097   15.101  1649.32  135.796  1588.27  247.660  1675.57  162.383  343.936   29.109  361.565   17.985 -17.62936 34.21638 
1 1 1  -18  -20    5 o  108.851   13.429  152.372   35.728  267.585  103.560  136.807   38.065  138.568   30.733  102.593   15.328 35.97437 34.34327 
1 1 1  -18  -20    6 o   65.562   17.686   57.040   29.623   54.254   98.282   57.318   31.067   80.295   32.197   65.773   18.265 14.52209 37.01674 
1 1 1  -18  -20    7 o  221.391   13.084  624.021   72.014  497.449  148.461  662.966   82.351  188.259   32.770  227.704   14.559 -39.44507 35.85843 
1 1 1  -18  -20    8 o   84.634   16.014   94.581   32.606  143.346  108.042   89.695   34.200  102.480   35.080   82.079   17.235 20.40155 39.08486 
1 1 1  -18  -20    9 o  308.759   26.082  1286.92  199.221   0.0000   0.0000  1286.92  199.221  ?   ?   308.759   26.082 0.000000 26.08244 
1 1 1  -18  -20   10 o  138.234   21.155  256.322   70.704  130.601  127.830  311.737   84.868  100.100   37.649  151.754   23.126 -51.65382 44.18450 
1 1 1  -18  -20   11 o  190.705   19.001  480.323   89.284  350.993  146.570  556.627  112.582  150.248   38.796  203.237   22.564 -52.98932 44.88039 
1 1 1  -18  -20   12 o  104.057   24.169  152.243   61.601  227.027  122.085  126.700   71.350  120.648   37.001   93.966   28.175 26.68271 46.50721 
1 1 1  -18  -20   13 o  215.042   32.415  688.116  168.664  688.116  168.664   0.0000   0.0000  215.042   32.415  ?   ?  0.000000 32.41528 
1 1 1  -18  -20   14 o  175.628   19.151  416.234   82.631  428.481  149.132  410.808   99.260  162.283   37.546  171.078   23.886 -8.794769 44.49944 
1 1 1  -18  -20   15 o   83.937   25.736  103.236   59.067   68.883  127.037  112.711   66.717   82.585   35.148   87.060   27.460 -4.475296 44.60289 
1 1 1  -18  -20   16 o  215.588   18.697  634.310   99.660  788.574  176.250  561.806  120.832  222.872   32.635  196.256   25.240 26.61644 41.25660 
1 1 1  -18  -20   17 o  159.722   24.603  376.617   94.979   0.0000   0.0000  376.617   94.979  ?   ?   159.722   24.603 0.000000 24.60283 
1 1 1  -18  -20   18 o  105.004   27.613  176.210   73.368   0.0000   0.0000  176.210   73.368  ?   ?   105.004   27.613 0.000000 27.61266 
1 1 1  -18  -20   19 o   78.734   27.254   98.510   65.291   0.0000   0.0000   98.510   65.291  ?   ?    78.734   27.254 0.000000 27.25423 
1 1 1  -18  -20   20 o   90.623   27.753  137.658   68.710   0.0000   0.0000  137.658   68.710  ?   ?    90.623   27.753 0.000000 27.75282 
1 1 1  -18  -19    1 o  120.987   14.240  187.778   42.199   83.662  100.606  210.007   46.486   88.374   33.365  127.900   14.830 -39.52538 36.51253 
1 1 1  -18  -19    2 o  442.633   17.182  2497.79  189.919  2637.61  340.587  2434.69  228.793  443.875   30.920  434.752   21.074 9.122650 37.41869 
1 1 1  -18  -19    3 o  162.628   13.833  337.170   55.644  150.377  112.388  397.826   64.044  106.445   35.782  176.533   14.661 -70.08892 38.66853 
1 1 1  -18  -19    4 o  243.432   15.982  757.260   96.613  786.030  155.029  738.992  123.534  243.643   25.877  238.522   20.952 5.121399 33.29567 
1 1 1  -18  -19    5 o  268.864   12.796  914.165   85.914  976.517  166.298  891.464  100.342  272.251   24.730  264.383   15.263 7.868408 29.06128 
1 1 1  -18  -19    6 f  189.078   12.941  454.485   60.733  350.585  128.381  484.441   68.935  158.018   33.570  194.871   14.265 -36.85266 36.47528 
1 1 1  -18  -19    7 o  175.350   12.450  390.856   54.161  427.156  124.580  382.396   60.143  176.792   29.241  173.014   14.042 3.778427 32.43726 
1 1 1  -18  -19    8 o  205.147   12.812  535.224   65.304  561.052  140.279  528.078   73.787  203.184   28.426  203.205   14.639 -0.2102661E-01 31.97368 
1 1 1  -18  -19    9 o  196.746   14.197  495.099   69.282   0.0000   0.0000  495.099   69.282  ?   ?   196.746   14.197 0.000000 14.19673 
1 1 1  -18  -19   11 o  126.187   14.373  205.935   44.483   67.423  117.603  229.061   48.053   86.198   34.988  133.059   14.708 -46.86054 37.95357 
1 1 1  -18  -19   12 o   75.925   25.507   75.461   57.111   32.064  112.548   90.510   66.278   78.000   33.137   82.251   27.479 -4.250443 43.04812 
1 1 1  -18  -19   13 o  215.169   18.158  609.043   96.655  694.740  161.025  560.777  120.846  220.853   29.971  202.375   24.405 18.47781 38.65077 
1 1 1  -18  -19   14 o  117.272   38.145  218.379  128.015  218.379  128.015   0.0000   0.0000  117.272   38.145  ?   ?  0.000000 38.14460 
1 1 1  -18  -19   15 o   83.213   25.804   98.742   59.189  150.205  121.621   82.771   67.754   99.739   36.878   78.275   27.715 21.46474 46.13112 
1 1 1  -18  -19   16 o  215.066   18.808  623.694   99.993  657.237  170.303  606.047  123.526  204.394   34.601  206.982   24.365 -2.587708 42.31887 
1 1 1  -18  -19   17 o   64.400   24.603   49.355   55.112   38.083  127.977   51.921   61.064   77.232   34.045   66.466   25.765 10.76565 42.69558 
1 1 1  -18  -19   18 o   86.385   27.428  114.957   66.477   0.0000   0.0000  114.957   66.477  ?   ?    86.385   27.428 0.000000 27.42785 
1 1 1  -18  -19   19 o   78.366   26.819   93.706   63.147   0.0000   0.0000   93.706   63.147  ?   ?    78.366   26.819 0.000000 26.81877 
1 1 1  -18  -19   20 o   57.288   24.225   25.220   59.698   0.0000   0.0000   25.220   59.698  ?   ?    57.288   24.225 0.000000 24.22476 
1 1 1  -18  -19   21 o  116.093   27.840  220.521   79.669   0.0000   0.0000  220.521   79.669  ?   ?   116.093   27.840 0.000000 27.84038 
1 1 1  -18  -18    1 o  273.986   13.381  948.279   91.554  874.785  171.606  977.522  108.246  257.362   27.109  277.152   15.705 -19.79041 31.32982 
1 1 1  -18  -18    2 o   89.201   15.907  103.916   34.134  126.131   92.318  100.398   36.738   98.306   32.413   87.311   17.460 10.99486 36.81638 
1 1 1  -18  -18    3 o  115.244   13.701  170.229   38.657  206.778   91.103  162.203   42.690  122.655   29.993  112.003   15.694 10.65195 33.85122 
1 1 1  -18  -18    4 o  174.425   12.406  385.867   53.687  337.128  111.829  400.464   61.200  157.394   29.537  177.356   13.930 -19.96184 32.65713 
1 1 1  -18  -18    5 o   61.601   18.356   49.225   30.356   99.442   86.068   42.091   32.441   89.610   31.276   58.395   19.212 31.21439 36.70559 
1 1 1  -18  -18    6 o  288.141   13.176  1050.20   94.804  1176.30  181.936  1003.19  111.077  299.350   24.554  280.360   15.931 18.99002 29.26985 
1 1 1  -18  -18    7 o  171.971   11.992  375.153   51.178  481.702  117.963  350.448   56.802  190.238   25.471  165.745   13.851 24.49289 28.99308 
1 1 1  -18  -18    8 o  130.870   15.024  220.460   48.211   0.0000   0.0000  220.460   48.211  ?   ?   130.870   15.024 0.000000 15.02441 
1 1 1  -18  -18    9 o  195.876   29.210  522.633  138.511  522.633  138.511   0.0000   0.0000  195.876   29.210  ?   ?  0.000000 29.21047 
1 1 1  -18  -18   10 o  306.254   13.045  1189.33   99.761  1424.66  197.889  1109.15  115.513  328.259   24.314  294.316   15.774 33.94290 28.98263 
1 1 1  -18  -18   11 o  147.182   25.155  293.863   89.135   0.0000   0.0000  293.863   89.135  ?   ?   147.182   25.155 0.000000 25.15542 
1 1 1  -18  -18   12 o  327.888   14.892  1374.66  121.933  1252.63  230.982  1421.80  143.567  300.105   31.281  331.639   17.396 -31.53412 35.79311 
1 1 1  -18  -18   13 o  133.788   13.971  231.048   45.987  234.014  121.738  230.554   49.667  124.968   36.637  133.249   15.198 -8.281448 39.66457 
1 1 1  -18  -18   14 o  100.901   15.706  134.148   38.288 -40.1804  118.215  154.578   40.469   68.566   31.252  108.572   15.355 -40.00594 34.82074 
1 1 1  -18  -18   15 o   97.382   36.762  130.492  122.124  130.492  122.124   0.0000   0.0000   97.382   36.762  ?   ?  0.000000 36.76190 
1 1 1  -18  -18   16 o  294.281   19.753  1159.09  144.317  1093.83  223.189  1205.99  189.190  269.233   33.952  293.034   26.128 -23.80188 42.84143 
1 1 1  -18  -18   17 o   87.223   25.855  110.705   60.340  216.453  128.926   81.044   68.280  113.754   38.323   77.344   27.775 36.40969 47.33031 
1 1 1  -18  -18   18 o  119.155   23.368  203.926   67.048  271.333  134.633  181.695   77.318  123.905   38.999  109.192   28.169 14.71297 48.10857 
1 1 1  -18  -18   19 o  105.053   28.114  171.655   75.206   0.0000   0.0000  171.655   75.206  ?   ?   105.053   28.114 0.000000 28.11384 
1 1 1  -18  -18   20 o   65.909   25.917   52.787   62.494   0.0000   0.0000   52.787   62.494  ?   ?    65.909   25.917 0.000000 25.91661 
1 1 1  -18  -18   21 o   93.751   28.188  142.774   71.344   0.0000   0.0000  142.774   71.344  ?   ?    93.751   28.188 0.000000 28.18789 
1 1 1  -18  -18   22 o   99.279   28.656  164.461   74.994   0.0000   0.0000  164.461   74.994  ?   ?    99.279   28.656 0.000000 28.65586 
1 1 1  -18  -17    1 o  269.331   24.078  944.849  160.236   0.0000   0.0000  944.849  160.236  ?   ?   269.331   24.078 0.000000 24.07845 
1 1 1  -18  -17    2 o  146.970   12.744  274.447   46.308  229.311   96.655  287.895   52.757  129.382   30.426  150.241   14.232 -20.85881 33.59026 
1 1 1  -18  -17    3 o  350.774   14.539  1557.31  127.354  1625.77  229.602  1526.89  153.057  352.203   26.295  345.748   17.788 6.455841 31.74639 
1 1 1  -18  -17    4 o  189.839   12.671  456.716   59.722  418.515  117.455  470.037   69.357  176.946   27.472  192.151   14.562 -15.20511 31.09331 
1 1 1  -18  -17    5 o  122.610   13.698  192.362   41.223  147.289   94.027  203.086   45.866  104.538   32.541  125.752   14.895 -21.21359 35.78794 
1 1 1  -18  -17    6 o  146.345   14.601  273.965   52.646  394.166  102.682  231.099   61.320  172.587   24.514  133.145   18.980 39.44154 31.00295 
1 1 1  -18  -17    7 o  175.837   12.154  391.977   53.041  422.751  117.145  384.041   59.488  177.558   27.294  173.651   13.833 3.906403 30.59910 
1 1 1  -18  -17    8 o  333.808   15.064  1415.03  125.571  1467.06  232.309  1393.55  149.254  331.942   28.296  329.531   18.208 2.411102 33.64790 
1 1 1  -18  -17    9 o  345.472   14.050  1513.25  121.214  1843.84  228.715  1384.13  142.939  374.831   24.571  328.607   17.482 46.22421 30.15522 
1 1 1  -18  -17   10 o  171.563   12.681  374.322   53.944  438.438  122.362  358.855   60.100  179.876   28.165  167.489   14.513 12.38692 31.68451 
1 1 1  -18  -17   11 o  301.848   13.518  1155.85  101.896  1262.58  199.322  1118.09  118.559  307.975   26.165  295.484   16.128 12.49084 30.73653 
1 1 1  -18  -17   12 o  265.246   24.554  934.933  160.790   0.0000   0.0000  934.933  160.790  ?   ?   265.246   24.554 0.000000 24.55354 
1 1 1  -18  -17   13 o  235.691   13.153  708.087   77.105  718.880  161.421  704.896   87.765  228.945   28.877  234.412   15.073 -5.467102 32.57391 
1 1 1  -18  -17   14 o  269.007   14.022  926.343   93.868  821.007  187.639  961.503  108.408  241.302   31.923  273.091   15.966 -31.78932 35.69328 
1 1 1  -18  -17   15 o   74.436   17.235   74.543   31.405  104.392  113.850   72.084   32.672   92.228   35.332   73.059   18.021 19.16943 39.66179 
1 1 1  -18  -17   16 o   92.152   18.911  115.168   42.059   55.658  116.153  124.149   45.121   82.068   34.185   95.526   19.573 -13.45858 39.39197 
1 1 1  -18  -17   17 o  204.481   12.630  537.906   64.177  761.678  159.103  494.421   70.136  231.077   28.154  195.100   14.499 35.97696 31.66847 
1 1 1  -18  -17   18 o  167.974   20.373  384.365   83.708  324.357  149.722  411.652  100.962  137.323   40.732  171.021   24.326 -33.69844 47.44316 
1 1 1  -18  -17   19 o  131.064   23.000  243.901   72.531  198.283  140.885  260.353   84.605  107.378   39.693  133.075   26.392 -25.69720 47.66615 
1 1 1  -18  -17   20 o   85.366   28.205  110.630   69.891   0.0000   0.0000  110.630   69.891  ?   ?    85.366   28.205 0.000000 28.20508 
1 1 1  -18  -17   21 o   99.122   28.357  155.739   73.734   0.0000   0.0000  155.739   73.734  ?   ?    99.122   28.357 0.000000 28.35654 
1 1 1  -18  -17   22 o  161.658   25.891  397.073  100.991   0.0000   0.0000  397.073  100.991  ?   ?   161.658   25.891 0.000000 25.89073 
1 1 1  -18  -17   23 o   89.817   28.264  132.737   70.719   0.0000   0.0000  132.737   70.719  ?   ?    89.817   28.264 0.000000 28.26397 
1 1 1  -18  -16    1 o  225.094   16.821  646.615   93.869  703.317  143.113  603.801  124.357  231.844   25.121  215.260   23.517 16.58408 34.41074 
1 1 1  -18  -16    2 o  184.667   22.739  444.964  102.644   0.0000   0.0000  444.964  102.644  ?   ?   184.667   22.739 0.000000 22.73868 
1 1 1  -18  -16    3 o  441.733   16.285  2476.00  179.639  2685.48  318.564  2378.34  217.523  451.980   28.368  431.074   20.207 20.90674 34.82938 
1 1 1  -18  -16    4 o  127.013   13.308  205.808   41.583  177.927   90.287  213.314   46.847  114.041   30.925  129.013   14.810 -14.97243 34.28781 
1 1 1  -18  -16    5 o  169.213   12.083  362.640   50.720  338.600  104.424  370.062   58.025  158.993   27.283  170.596   13.737 -11.60379 30.54646 
1 1 1  -18  -16    6 o  251.938   12.440  800.591   78.261  885.970  150.594  769.001   91.603  260.799   23.371  245.924   14.988 14.87540 27.76412 
1 1 1  -18  -16    7 o  136.254   14.973  238.016   50.107  366.664  102.752  197.878   57.393  166.044   25.604  122.971   19.327 43.07265 32.07974 
1 1 1  -18  -16    8 o  105.782   13.946  143.955   35.941  284.953   93.533  119.529   38.930  145.489   26.730   95.546   16.936 49.94304 31.64343 
1 1 1  -18  -16    9 o  363.927   14.551  1679.12  132.235  1866.89  243.939  1600.98  157.362  376.699   26.093  353.575   17.881 23.12378 31.63141 
1 1 1  -18  -16   10 o  143.481   12.784  262.201   45.326  327.889  109.918  248.742   49.754  154.891   29.495  139.322   14.514 15.56880 32.87261 
1 1 1  -18  -16   11 o  171.997   12.381  375.721   52.823  411.112  121.443  367.463   58.662  173.872   28.991  169.696   13.967 4.176437 32.18005 
1 1 1  -18  -16   12 o  175.370   12.992  391.503   56.491  361.991  129.275  398.468   62.805  160.521   33.340  176.558   14.369 -16.03748 36.30486 
1 1 1  -18  -16   13 o  426.160   32.271  2492.09  340.884   0.0000   0.0000  2492.09  340.884  ?   ?   426.160   32.271 0.000000 32.27126 
1 1 1  -18  -16   14 o  163.585   13.062  341.838   52.915  392.844  129.827  331.677   57.947  166.784   32.339  160.670   14.602 6.113861 35.48262 
1 1 1  -18  -16   15 f  347.095   13.912  1536.48  120.588  1950.13  237.970  1393.57  139.876  381.440   25.124  328.394   17.116 53.04556 30.39999 
1 1 1  -18  -16   16 o  211.718   13.132  573.805   69.089  544.718  153.293  581.219   77.395  194.594   32.706  212.441   14.679 -17.84659 35.84910 
1 1 1  -18  -16   17 o  198.980   16.193  515.766   79.764  605.239  152.812  482.260   93.514  205.448   30.729  190.341   19.972 15.10735 36.64906 
1 1 1  -18  -16   18 o  188.252   13.335  457.315   62.283  647.759  154.725  420.488   68.039  211.531   30.144  179.547   15.322 31.98470 33.81420 
1 1 1  -18  -16   19 o  255.752   14.085  849.025   89.611  710.329  190.253  888.567  101.585  211.609   37.370  260.474   15.691 -48.86456 40.53047 
1 1 1  -18  -16   20 o  183.376   13.016  436.915   59.215  486.459  158.032  428.823   63.868  171.114   37.975  180.968   14.248 -9.853622 40.56021 
1 1 1  -18  -16   21 o   94.380   28.846  137.941   74.274   0.0000   0.0000  137.941   74.274  ?   ?    94.380   28.846 0.000000 28.84641 
1 1 1  -18  -16   22 o  113.640   28.501  202.864   80.737   0.0000   0.0000  202.864   80.737  ?   ?   113.640   28.501 0.000000 28.50091 
1 1 1  -18  -16   23 o   82.361   28.305  106.272   70.359   0.0000   0.0000  106.272   70.359  ?   ?    82.361   28.305 0.000000 28.30457 
1 1 1  -18  -16   24 o  160.521   26.476  398.670  102.430   0.0000   0.0000  398.670  102.430  ?   ?   160.521   26.476 0.000000 26.47633 
1 1 1  -18  -15    1 o  394.793   15.737  1973.34  155.143  2072.16  276.661  1928.01  187.378  397.781   28.031  388.882   19.295 8.898590 34.03012 
1 1 1  -18  -15    2 o  317.241   25.781  1312.16  202.471   0.0000   0.0000  1312.16  202.471  ?   ?   317.241   25.781 0.000000 25.78078 
1 1 1  -18  -15    3 o  323.927   13.290  1323.69  107.502  1618.54  199.745  1203.46  127.550  354.066   22.711  307.535   16.671 46.53061 28.17292 
1 1 1  -18  -15    4 o  385.822   16.007  1887.08  154.227  1857.03  274.467  1900.95  186.446  375.018   29.547  385.408   19.435 -10.39014 35.36612 
1 1 1  -18  -15    5 o  377.718   14.628  1804.59  137.977  2058.12  249.121  1692.40  165.715  397.666   25.217  364.504   18.206 33.16165 31.10223 
1 1 1  -18  -15    6 o  165.578   14.984  349.812   61.285   0.0000   0.0000  349.812   61.285  ?   ?   165.578   14.984 0.000000 14.98423 
1 1 1  -18  -15    7 o  103.030   31.002  142.981   86.276  142.981   86.276   0.0000   0.0000  103.030   31.002  ?   ?  0.000000 31.00212 
1 1 1  -18  -15    8 o  269.847   15.537  926.526  104.257  1114.55  163.724  798.282  135.217  293.137   22.539  248.031   22.061 45.10632 31.53885 
1 1 1  -18  -15    9 o   59.966   17.592   46.681   28.060   84.193   84.638   42.048   29.742   85.299   30.885   57.787   18.346 27.51215 35.92300 
1 1 1  -18  -15   10 o  159.842   12.548  324.462   49.684  277.464  109.085  336.763   55.809  141.701   31.629  162.562   13.881 -20.86032 34.54094 
1 1 1  -18  -15   11 o  259.581   12.865  851.532   83.396  944.422  164.292  819.290   96.793  268.049   24.826  253.535   15.361 14.51476 29.19399 
1 1 1  -18  -15   12 o  183.794   13.110  429.421   59.776  293.830  126.957  468.040   67.756  143.948   35.533  191.615   14.262 -47.66718 38.28854 
1 1 1  -18  -15   13 o  230.813   18.136  686.861  103.690  561.336  159.869  778.011  136.231  201.378   32.929  243.659   22.649 -42.28093 39.96607 
1 1 1  -18  -15   14 o  221.912   15.411  630.511   84.873   0.0000   0.0000  630.511   84.873  ?   ?   221.912   15.411 0.000000 15.41137 
1 1 1  -18  -15   15 o  373.941   15.338  1785.45  143.228  1964.37  269.414  1714.96  169.105  381.199   28.508  364.130   18.660 17.06958 34.07228 
1 1 1  -18  -15   16 o  208.768   12.621  555.387   65.488  703.906  150.458  520.673   72.740  227.493   27.013  201.443   14.558 26.04977 30.68592 
1 1 1  -18  -15   17 o   60.824   18.126   48.813   29.599 -48.7293  113.049   55.992   30.669   66.411   30.382   64.730   18.209 1.681717 35.42103 
1 1 1  -18  -15   18 o  226.330   16.126  665.547   90.545  862.886  167.502  584.078  107.624  249.271   27.359  209.220   20.878 40.05109 34.41520 
1 1 1  -18  -15   19 o  295.896   14.609  1130.07  107.947  1094.92  218.006  1141.49  124.247  273.095   32.612  295.336   16.917 -22.24036 36.73899 
1 1 1  -18  -15   20 o   88.666   16.083  105.487   34.298  223.907  134.076   97.195   35.479  116.597   39.082   84.582   17.379 32.01464 42.77210 
1 1 1  -18  -15   21 o   82.792   16.753   93.352   33.446  155.175  129.859   88.960   34.614   99.409   37.817   80.437   17.712 18.97227 41.75883 
1 1 1  -18  -15   22 o  160.523   26.095  378.290  101.010   0.0000   0.0000  378.290  101.010  ?   ?   160.523   26.095 0.000000 26.09489 
1 1 1  -18  -15   23 o   70.785   27.622   63.412   70.543   0.0000   0.0000   63.412   70.543  ?   ?    70.785   27.622 0.000000 27.62204 
1 1 1  -18  -15   24 o  225.555   26.102  765.046  144.306   0.0000   0.0000  765.046  144.306  ?   ?   225.555   26.102 0.000000 26.10235 
1 1 1  -18  -15   25 o   78.422   28.485   95.500   72.080   0.0000   0.0000   95.500   72.080  ?   ?    78.422   28.485 0.000000 28.48533 
1 1 1  -18  -14    1 o  454.306   17.924  2621.74  203.347  2644.02  356.787  2611.02  247.474  446.876   32.188  451.456   21.951 -4.580322 38.96041 
1 1 1  -18  -14    2 o  355.733   14.942  1599.45  132.737  1547.48  235.928  1623.52  160.559  343.890   27.708  356.969   18.071 -13.07819 33.08011 
1 1 1  -18  -14    3 o  121.671   25.938  198.490   76.402   0.0000   0.0000  198.490   76.402  ?   ?   121.671   25.938 0.000000 25.93847 
1 1 1  -18  -14    4 o  193.383   11.261  471.874   54.145  623.843  110.413  423.758   62.128  220.078   20.320  182.748   13.714 37.32924 24.51491 
1 1 1  -18  -14    5 o  390.347   15.543  1929.26  151.504  2158.07  273.980  1828.47  181.834  406.312   27.159  378.128   19.321 28.18488 33.33073 
1 1 1  -18  -14    6 o  210.329   16.709  564.856   87.039  490.840  126.661  631.080  119.808  192.489   27.101  220.658   22.038 -28.16965 34.92987 
1 1 1  -18  -14    7 o  200.322   11.791  506.976   58.725  658.682  118.533  457.625   67.606  225.684   21.284  189.736   14.375 35.94785 25.68366 
1 1 1  -18  -14    8 o  146.001   12.761  270.833   46.060  239.887   97.030  279.835   52.332  132.549   30.012  148.099   14.329 -15.54991 33.25728 
1 1 1  -18  -14    9 o  319.546   17.575  1303.81  139.707  1353.86  209.344  1263.62  187.591  321.312   26.321  311.451   24.312 9.860626 35.83169 
1 1 1  -18  -14   10 o  175.183   12.268  388.822   53.328  459.990  114.312  369.026   60.290  186.612   25.173  170.191   14.319 16.42166 28.96029 
1 1 1  -18  -14   11 o  294.585   13.614  1097.29  100.146  1127.96  188.151  1085.16  118.294  292.871   25.997  291.733   16.303 1.138428 30.68581 
1 1 1  -18  -14   12 o  169.693   12.823  365.744   53.936  298.522  117.420  383.721   60.721  146.547   32.893  173.524   14.136 -26.97734 35.80186 
1 1 1  -18  -14   13 o   47.544   17.406   23.533   26.990 -89.1346   92.851   33.931   28.208   55.509   26.111   53.152   17.926 2.357094 31.67201 
1 1 1  -18  -14   14 o  322.086   26.651  1375.80  212.429   0.0000   0.0000  1375.80  212.429  ?   ?   322.086   26.651 0.000000 26.65075 
1 1 1  -18  -14   15 o  245.087   13.424  763.713   81.849  823.339  170.991  745.991   93.222  247.263   28.197  241.482   15.542 5.780212 32.19646 
1 1 1  -18  -14   16 o  260.274   13.547  862.568   87.748  930.603  178.568  840.910  100.751  262.635   27.642  256.072   15.833 6.563995 31.85552 
1 1 1  -18  -14   17 o  108.549   14.383  152.731   38.026  166.296  117.838  151.154   40.176  108.748   36.638  107.703   15.374 1.045029 39.73334 
1 1 1  -18  -14   18 o  168.014   13.386  362.081   55.698  389.733  138.492  356.746   60.834  162.887   35.084  166.275   14.806 -3.387985 38.08030 
1 1 1  -18  -14   19 o  216.353   16.800  609.973   90.052  615.990  163.632  607.359  107.853  206.048   32.909  213.770   20.454 -7.722168 38.74726 
1 1 1  -18  -14   20 o  120.917   14.540  190.943   43.023  267.246  130.245  181.598   45.582  129.927   37.840  117.358   15.968 12.56966 41.07122 
1 1 1  -18  -14   21 o  151.327   13.699  297.624   51.207  296.700  145.214  297.755   54.723  132.919   40.271  150.915   14.708 -17.99570 42.87300 
1 1 1  -18  -14   22 o  166.743   13.600  362.370   56.136  322.128  154.086  368.528   60.279  134.572   41.618  167.665   14.541 -33.09384 44.08554 
1 1 1  -18  -14   23 o  100.317   29.446  156.335   78.596   0.0000   0.0000  156.335   78.596  ?   ?   100.317   29.446 0.000000 29.44618 
1 1 1  -18  -14   24 o  117.119   29.012  215.086   84.412   0.0000   0.0000  215.086   84.412  ?   ?   117.119   29.012 0.000000 29.01208 
1 1 1  -18  -14   25 o   67.946   26.828   56.867   67.227   0.0000   0.0000   56.867   67.227  ?   ?    67.946   26.828 0.000000 26.82833 
1 1 1  -18  -14   26 o  152.105   27.690  362.088  101.300   0.0000   0.0000  362.088  101.300  ?   ?   152.105   27.690 0.000000 27.68972 
1 1 1  -18  -13    1 o  424.530   16.505  2281.98  174.979  2424.94  308.166  2213.96  212.568  430.707   28.818  416.618   20.432 14.08905 35.32632 
1 1 1  -18  -13    2 o  454.071   17.477  2615.70  198.171  2651.83  348.325  2598.40  240.971  448.524   31.295  450.789   21.406 -2.264526 37.91600 
1 1 1  -18  -13    3 o   69.316   17.068   63.311   29.348 -75.3770   73.273   89.811   32.030   49.230   23.169   82.879   16.056 -33.64918 28.18850 
1 1 1  -18  -13    4 o  302.062   24.912  1184.96  186.236   0.0000   0.0000  1184.96  186.236  ?   ?   302.062   24.912 0.000000 24.91198 
1 1 1  -18  -13    5 o  167.500   12.330  355.137   51.213  344.959  103.457  358.440   58.941  161.181   26.634  167.915   14.189 -6.733414 30.17783 
1 1 1  -18  -13    6 o  181.263   12.245  415.572   55.100  393.067  108.259  423.440   64.010  172.471   25.939  182.590   14.149 -10.11913 29.54735 
1 1 1  -18  -13    7 o  178.543   12.529  403.560   55.509  356.614  109.346  419.858   64.428  163.405   27.792  181.756   14.311 -18.35075 31.26022 
1 1 1  -18  -13    8 o  180.150   12.447  410.826   55.653  312.668  111.335  443.523   64.257  151.779   30.434  186.915   13.865 -35.13603 33.44351 
1 1 1  -18  -13    9 o  400.364   16.777  2035.58  167.730  1783.53  296.448  2154.26  203.421  364.972   32.879  410.496   19.844 -45.52335 38.40387 
1 1 1  -18  -13   10 o  231.937   16.454  686.261   94.682  549.021  146.882  783.832  123.848  202.286   29.985  246.638   20.288 -44.35114 36.20383 
1 1 1  -18  -13   11 o  184.641   13.146  432.507   60.218  380.047  119.628  450.311   69.691  167.690   29.652  187.988   14.970 -20.29799 33.21677 
1 1 1  -18  -13   12 o  303.953   13.054  1166.67   99.083  1363.60  188.527  1091.51  116.465  323.811   23.474  292.764   15.991 31.04715 28.40327 
1 1 1  -18  -13   13 o  280.878   12.860  996.368   90.204  1110.49  174.545  954.782  105.364  291.473   24.199  273.845   15.471 17.62775 28.72207 
1 1 1  -18  -13   14 o   99.870   15.308  129.421   36.959  133.499  100.810  128.787   39.725  100.929   33.889   99.308   16.605 1.620552 37.73814 
1 1 1  -18  -13   15 o   95.378   29.040  122.626   75.374   0.0000   0.0000  122.626   75.374  ?   ?    95.378   29.040 0.000000 29.03970 
1 1 1  -18  -13   16 o  225.757   13.716  648.618   76.961  528.481  159.428  685.119   87.878  194.439   34.077  231.522   15.286 -37.08282 37.34805 
1 1 1  -18  -13   17 o  234.053   13.240  697.090   77.065  685.590  162.350  700.435   87.559  223.930   29.771  233.971   15.066 -10.04100 33.36585 
1 1 1  -18  -13   18 o  203.284   12.822  526.655   64.757  643.958  148.438  499.082   71.967  217.158   28.027  197.234   14.718 19.92456 31.65616 
1 1 1  -18  -13   19 o  179.554   13.272  412.922   59.089  392.562  142.893  417.121   64.897  162.973   36.065  180.014   14.561 -17.04044 38.89402 
1 1 1  -18  -13   20 o  244.921   17.431  782.784  105.912  759.650  182.214  794.589  130.158  229.482   32.724  244.013   21.583 -14.53183 39.20013 
1 1 1  -18  -13   21 o  420.207   16.162  2292.96  169.593  2657.68  321.558  2152.42  199.612  431.897   30.001  403.228   19.824 28.66901 35.95864 
1 1 1  -18  -13   22 o  237.006   12.865  723.742   75.855  1014.07  181.596  662.376   83.488  266.696   27.670  225.514   14.909 41.18271 31.43089 
1 1 1  -18  -13   23 o   62.499   18.110   53.346   29.900 -25.6608  131.569   57.649   30.703   71.305   32.678   64.799   18.216 6.505821 37.41222 
1 1 1  -18  -13   24 o  147.035   27.537  322.351   97.394   0.0000   0.0000  322.351   97.394  ?   ?   147.035   27.537 0.000000 27.53748 
1 1 1  -18  -13   25 o   97.172   30.077  150.364   80.457   0.0000   0.0000  150.364   80.457  ?   ?    97.172   30.077 0.000000 30.07714 
1 1 1  -18  -13   26 o  111.829   30.176  203.100   86.219   0.0000   0.0000  203.100   86.219  ?   ?   111.829   30.176 0.000000 30.17580 
1 1 1  -18  -13   27 o   72.718   28.346   73.410   74.225   0.0000   0.0000   73.410   74.225  ?   ?    72.718   28.346 0.000000 28.34551 
1 1 1  -18  -12    1 o  107.831   13.587  148.755   35.774  153.445   75.354  147.391   40.646  106.858   27.928  106.906   15.693 -0.4745483E-01 32.03459 
1 1 1  -18  -12    2 o  230.900   12.617  672.974   72.476  654.215  133.290  680.848   86.358  224.445   24.162  231.736   15.004 -7.290878 28.44151 
1 1 1  -18  -12    3 o  278.810   13.666  979.894   95.147  903.490  171.952  1013.61  114.228  263.101   26.534  282.562   16.257 -19.46115 31.11836 
1 1 1  -18  -12    4 o  272.751   23.851  963.068  160.820   0.0000   0.0000  963.068  160.820  ?   ?   272.751   23.851 0.000000 23.85129 
1 1 1  -18  -12    6 o  233.387   12.220  687.462   70.971  700.800  132.390  682.083   84.072  232.508   23.108  231.943   14.589 0.5660400 27.32793 
1 1 1  -18  -12    7 o  282.551   13.217  1006.50   93.258  1020.39  170.102  1000.53  111.510  280.249   24.554  280.656   15.977 -0.4066772 29.29406 
1 1 1  -18  -12    8 o  323.583   14.117  1322.14  114.074  1319.86  206.534  1323.14  136.840  318.017   26.241  322.452   17.055 -4.435028 31.29658 
1 1 1  -18  -12    9 o  197.886   12.144  494.917   59.722  507.361  118.158  490.647   69.215  196.809   24.578  196.595   14.194 0.2133331 28.38184 
1 1 1  -18  -12   10 o  146.843   15.385  275.861   55.578  214.972   98.679  304.151   67.261  125.210   31.568  153.652   17.863 -28.44286 36.27144 
1 1 1  -18  -12   11 o  277.997   13.066  974.992   90.705  1023.52  168.092  955.056  107.736  280.395   24.245  274.052   15.810 6.342499 28.94423 
1 1 1  -18  -12   12 o  394.897   15.755  1977.54  155.370  2078.09  279.516  1932.58  186.904  397.164   28.370  388.913   19.245 8.251892 34.28117 
1 1 1  -18  -12   13 o  299.747   12.731  1133.71   95.297  1421.18  182.732  1026.32  111.688  331.407   22.209  283.974   15.813 47.43332 27.26279 
1 1 1  -18  -12   14 o  381.491   15.736  1847.75  149.907  1929.21  272.387  1812.35  179.543  381.560   28.799  375.854   19.193 5.705933 34.60913 
1 1 1  -18  -12   15 o  253.152   13.348  812.506   84.086  874.484  166.231  791.194   97.477  257.267   26.242  249.061   15.754 8.206207 30.60779 
1 1 1  -18  -12   16 o  278.309   25.252  1020.88  173.586   0.0000   0.0000  1020.88  173.586  ?   ?   278.309   25.252 0.000000 25.25179 
1 1 1  -18  -12   17 o  235.755   13.585  706.714   79.641  562.860  160.877  753.412   91.661  201.492   33.124  242.906   15.187 -41.41364 36.44015 
1 1 1  -18  -12   18 o  146.236   13.175  273.287   47.596  328.631  125.261  263.948   51.456  152.071   33.856  143.326   14.580 8.744370 36.86150 
1 1 1  -18  -12   19 o  424.233   16.353  2308.30  173.240  2664.89  322.526  2163.70  205.384  442.255   29.371  407.929   20.162 34.32593 35.62520 
1 1 1  -18  -12   20 o  106.387   15.471  147.987   39.896  182.293  121.825  143.866   42.225  112.038   37.249  104.477   16.750 7.560951 40.84148 
1 1 1  -18  -12   21 o  304.628   17.802  1210.97  134.831  1414.68  221.588  1091.20  169.903  319.468   28.060  284.010   24.187 35.45786 37.04546 
1 1 1  -18  -12   22 o   88.336   16.640  104.469   35.359   54.046  126.614  108.735   36.824   83.631   35.317   90.045   17.000 -6.413330 39.19559 
1 1 1  -18  -12   23 o  237.966   13.172  730.621   77.971  994.626  182.606  671.755   86.227  263.560   28.182  226.870   15.310 36.69012 32.07167 
1 1 1  -18  -12   24 o   89.147   17.607  108.496   37.805   16.086  137.911  116.005   39.311   77.812   34.759   92.210   17.716 -14.39738 39.01319 
1 1 1  -18  -12   25 f   80.748   28.663   93.768   72.513   0.0000   0.0000   93.768   72.513  ?   ?    80.748   28.663 0.000000 28.66302 
1 1 1  -18  -12   26 o  175.599   26.745  459.244  113.575   0.0000   0.0000  459.244  113.575  ?   ?   175.599   26.745 0.000000 26.74539 
1 1 1  -18  -12   27 o  140.151   28.809  307.006   97.456   0.0000   0.0000  307.006   97.456  ?   ?   140.151   28.809 0.000000 28.80869 
1 1 1  -18  -12   28 o  116.846   30.556  226.422   90.169   0.0000   0.0000  226.422   90.169  ?   ?   116.846   30.556 0.000000 30.55572 
1 1 1  -18  -11    1 o  124.812   12.372  197.800   38.054  226.827   77.699  188.640   43.647  130.919   24.671  121.437   14.692 9.481918 28.71456 
1 1 1  -18  -11    2 o  399.548   15.584  2016.64  155.490  2237.53  275.089  1912.94  188.489  415.480   26.654  387.388   19.548 28.09253 33.05403 
1 1 1  -18  -11    3 o  542.642   24.399  3784.37  330.619   0.0000   0.0000  3784.37  330.619  ?   ?   542.642   24.399 0.000000 24.39851 
1 1 1  -18  -11    4 f  251.516   24.083  819.554  149.411  819.554  149.411   0.0000   0.0000  251.516   24.083  ?   ?  0.000000 24.08295 
1 1 1  -18  -11    5 o  151.469   23.459  300.798   85.864   0.0000   0.0000  300.798   85.864  ?   ?   151.469   23.459 0.000000 23.45887 
1 1 1  -18  -11    6 o  517.280   19.874  3409.90  256.715  3461.84  450.028  3384.84  312.557  508.941   35.634  512.746   24.410 -3.805084 43.19360 
1 1 1  -18  -11    7 o  228.436   12.648  659.080   71.871  573.473  133.969  693.675   85.164  209.053   26.241  233.923   14.653 -24.87039 30.05459 
1 1 1  -18  -11    8 o  327.089   14.241  1350.60  116.322  1442.89  209.958  1309.73  139.726  333.259   25.421  320.754   17.511 12.50504 30.86804 
1 1 1  -18  -11    9 o  135.853   12.877  234.592   43.165  202.528   90.677  243.987   49.083  122.028   29.974  138.266   14.428 -16.23763 33.26567 
1 1 1  -18  -11   10 o  243.226   12.990  747.785   78.612  666.966  146.508  780.460   93.158  225.296   26.551  247.968   15.116 -22.67236 30.55254 
1 1 1  -18  -11   11 o  194.868   15.344  483.476   74.062  434.139  120.692  513.276   93.799  180.709   27.622  199.811   19.029 -19.10110 33.54231 
1 1 1  -18  -11   12 o  298.081   12.434  1119.66   92.551  1413.53  175.531  1006.51  108.922  331.360   21.326  281.480   15.556 49.87994 26.39715 
1 1 1  -18  -11   13 o  223.494   11.766  630.692   65.438  731.488  132.656  598.277   75.228  237.336   22.658  217.166   13.946 20.17001 26.60574 
1 1 1  -18  -11   14 o  444.728   17.380  2517.29  193.020  2726.66  345.432  2422.24  232.746  452.960   30.720  434.088   21.471 18.87213 37.48003 
1 1 1  -18  -11   15 o  198.851   12.985  501.320   64.126  502.848  133.115  500.858   73.177  193.856   28.334  198.289   14.887 -4.432755 32.00703 
1 1 1  -18  -11   16 o   43.689   16.831   16.314   25.932   24.154   94.619   15.677   26.964   73.810   30.809   43.973   17.100 29.83688 35.23637 
1 1 1  -18  -11   17 o  240.065   24.621  758.870  145.512   0.0000   0.0000  758.870  145.512  ?   ?   240.065   24.621 0.000000 24.62119 
1 1 1  -18  -11   18 f  213.320   12.899  577.867   68.388  737.087  150.709  536.579   76.745  235.358   26.081  204.888   15.106 30.47087 30.13985 
1 1 1  -18  -11   19 o  365.941   14.819  1705.01  135.419  2029.39  258.084  1581.77  159.076  390.167   26.648  350.293   18.249 39.87366 32.29747 
1 1 1  -18  -11   20 o  168.770   14.048  365.103   58.665  151.084  136.803  413.329   64.940  106.885   39.179  179.451   14.619 -72.56639 41.81740 
1 1 1  -18  -11   21 o  235.978   14.633  715.058   85.806  478.498  176.715  788.038   98.153  176.792   40.849  247.118   15.991 -70.32544 43.86725 
1 1 1  -18  -11   22 o  196.079   16.798  501.247   81.456  481.581  156.389  508.569   95.422  179.413   36.155  195.954   19.771 -16.54030 41.20792 
1 1 1  -18  -11   23 o  226.040   13.222  657.061   74.307  800.819  173.104  624.588   82.273  236.400   29.998  219.393   15.109 17.00665 33.58843 
1 1 1  -18  -11   24 o  196.380   13.281  498.536   64.746  655.883  166.867  470.648   70.250  208.740   33.118  189.933   14.932 18.80756 36.32825 
1 1 1  -18  -11   25 o  129.657   14.610  221.303   46.479  133.660  148.408  230.834   48.941   96.754   39.293  132.227   15.092 -35.47293 42.09172 
1 1 1  -18  -11   26 o   48.155   22.448 -43.5700   66.091   0.0000   0.0000 -43.5700   66.091  ?   ?    48.155   22.448 0.000000 22.44807 
1 1 1  -18  -11   27 o  148.991   28.467  338.918  102.053   0.0000   0.0000  338.918  102.053  ?   ?   148.991   28.467 0.000000 28.46725 
1 1 1  -18  -11   28 o  163.085   28.706  411.810  112.637   0.0000   0.0000  411.810  112.637  ?   ?   163.085   28.706 0.000000 28.70611 
1 1 1  -18  -10    1 o  122.920   9.7859  190.667   29.789  201.794   41.769  179.148   42.498  125.902   13.496  118.317   14.701 7.584251 19.95588 
1 1 1  -18  -10    2 o  330.439   12.593  1373.40  103.916  1435.53  147.480  1312.14  146.445  336.210   17.627  321.172   18.335 15.03809 25.43437 
1 1 1  -18  -10    3 o  138.730   12.379  243.927   42.434  213.925   86.133  253.543   48.763  126.247   28.050  141.169   14.018 -14.92273 31.35748 
1 1 1  -18  -10    4 o  288.382   13.593  1047.64   97.889  1066.88  175.777  1038.99  117.856  287.128   24.757  286.118   16.566 1.010712 29.78848 
1 1 1  -18  -10    5 o  382.877   19.902  1870.77  189.627  1898.19  271.093  1844.50  265.345  381.315   28.680  375.975   28.473 5.339996 40.41348 
1 1 1  -18  -10    6 o  128.609   25.266  219.912   78.251   0.0000   0.0000  219.912   78.251  ?   ?   128.609   25.266 0.000000 25.26627 
1 1 1  -18  -10    7 o  201.665   12.552  513.818   62.896  429.750  118.828  546.536   74.132  180.342   27.234  207.637   14.386 -27.29469 30.80035 
1 1 1  -18  -10    8 o  188.091   11.953  446.795   55.853  508.610  110.181  425.416   64.796  197.986   22.695  183.069   14.287 14.91673 26.81770 
1 1 1  -18  -10    9 f  222.544   12.509  625.471   69.236  654.622  130.686  614.096   81.634  224.503   23.667  219.970   14.950 4.532700 27.99369 
1 1 1  -18  -10   10 o  146.313   12.275  271.342   44.436  356.602   94.833  247.355   50.300  164.962   23.702  139.185   14.694 25.77686 27.88696 
1 1 1  -18  -10   11 o  162.085   13.133  333.284   52.699  261.994  105.148  357.198   60.899  138.662   31.129  167.512   14.707 -28.84947 34.42875 
1 1 1  -18  -10   12 o  190.540   15.360  462.265   72.463  408.690  118.740  494.059   91.472  175.115   28.104  196.072   18.917 -20.95685 33.87710 
1 1 1  -18  -10   13 o  130.007   13.626  215.589   43.581  179.140   96.719  224.874   48.818  114.583   32.372  132.513   15.018 -17.92985 35.68616 
1 1 1  -18  -10   14 o   94.302   14.961  115.194   34.056   80.662   91.169  120.794   36.714   86.026   31.905   96.433   15.793 -10.40675 35.59941 
1 1 1  -18  -10   15 o  206.135   13.279  538.588   67.992  470.033  135.035  561.872   78.696  186.873   29.948  210.109   15.100 -23.23587 33.53929 
1 1 1  -18  -10   16 f  202.844   12.756  521.214   64.285  579.778  133.707  503.607   73.315  209.444   26.133  198.861   14.871 10.58224 30.06818 
1 1 1  -18  -10   17 o  118.387   14.093  179.792   40.844  262.921  107.122  165.651   44.182  137.902   31.762  113.104   16.097 24.79779 35.60824 
1 1 1  -18  -10   18 o  180.365   25.025  431.838  109.676   0.0000   0.0000  431.838  109.676  ?   ?   180.365   25.025 0.000000 25.02476 
1 1 1  -18  -10   19 o  217.080   13.459  599.180   72.601  619.144  153.880  593.464   82.342  213.641   29.642  215.440   15.407 -1.799057 33.40709 
1 1 1  -18  -10   20 o  156.691   13.745  314.009   53.238  298.893  129.430  317.088   58.408  143.915   36.082  157.088   15.075 -13.17337 39.10424 
1 1 1  -18  -10   21 o  354.846   15.891  1612.71  140.812  1530.99  265.126  1644.81  166.188  331.748   32.417  356.173   18.751 -24.42496 37.44971 
1 1 1  -18  -10   22 o   63.045   18.585   52.625   31.250  143.391  118.864   45.886   32.389  102.433   36.662   59.786   19.162 42.64711 41.36761 
1 1 1  -18  -10   23 o  194.559   12.864  485.077   62.146  638.604  153.524  454.990   67.964  212.586   29.733  187.703   14.615 24.88239 33.13084 
1 1 1  -18  -10   24 o  232.797   13.739  698.603   79.518  709.534  176.526  695.820   89.067  219.098   33.314  231.346   15.507 -12.24799 36.74591 
1 1 1  -18  -10   25 o   85.373   17.403   98.927   35.844  205.395  136.136   90.996   37.155  112.477   39.330   81.403   18.675 31.07393 43.53897 
1 1 1  -18  -10   26 o   58.646   18.336   46.078   29.816  249.546  141.203   36.583   30.504  119.961   40.108   54.005   18.633 65.95562 44.22490 
1 1 1  -18  -10   27 o  217.517   26.477  689.892  140.849   0.0000   0.0000  689.892  140.849  ?   ?   217.517   26.477 0.000000 26.47667 
1 1 1  -18  -10   28 o  182.507   27.639  499.929  122.025   0.0000   0.0000  499.929  122.025  ?   ?   182.507   27.639 0.000000 27.63943 
1 1 1  -18  -10   29 o   61.527   26.708   18.513   76.151   0.0000   0.0000   18.513   76.151  ?   ?    61.527   26.708 0.000000 26.70783 
1 1 1  -18   -9    1 o  411.611   13.967  2133.71  143.565  2092.61  202.822  2174.97  203.241  405.800   20.015  413.832   19.667 -8.032715 28.06030 
1 1 1  -18   -9    2 o  238.788   15.358  722.362   91.094   0.0000   0.0000  722.362   91.094  ?   ?   238.788   15.358 0.000000 15.35818 
1 1 1  -18   -9    3 o  170.708   13.365  369.011   56.519  369.011   56.519   0.0000   0.0000  170.708   13.365  ?   ?  0.000000 13.36513 
1 1 1  -18   -9    4 o  286.830   11.891  1033.99   85.171  1128.90  121.054  940.955  119.856  298.420   16.306  271.982   17.744 26.43805 24.09852 
1 1 1  -18   -9    5 o  291.690   12.935  1070.77   94.218  1229.74  170.681  1001.10  112.994  309.483   22.233  280.971   16.173 28.51187 27.49311 
1 1 1  -18   -9    6 o  109.726   25.900  161.142   69.827   0.0000   0.0000  161.142   69.827  ?   ?   109.726   25.900 0.000000 25.89994 
1 1 1  -18   -9    7 o  277.495   12.598  969.007   87.301  1239.82  165.764  865.060  102.698  310.897   21.483  261.143   15.823 49.75400 26.68113 
1 1 1  -18   -9    8 o  112.649   13.198  161.962   36.424  287.999   83.032  131.929   40.532  148.249   23.188  100.806   16.685 47.44303 28.56715 
1 1 1  -18   -9    9 o  228.030   12.465  656.349   70.712  627.936  132.992  667.547   83.492  219.583   24.681  229.504   14.644 -9.920776 28.69879 
1 1 1  -18   -9   10 o  280.982   12.708  994.161   89.167  1155.44  165.788  928.519  105.767  299.531   22.325  270.503   15.726 29.02768 27.30749 
1 1 1  -18   -9   11 o  157.659   12.039  314.554   47.041  408.628   99.133  287.215   53.441  177.066   22.960  150.161   14.429 26.90541 27.11786 
1 1 1  -18   -9   12 o  154.916   12.183  303.909   46.750  374.391   99.829  284.111   52.910  168.867   24.379  149.337   14.365 19.53052 28.29699 
1 1 1  -18   -9   13 o  202.395   15.957  521.866   79.997  396.982  127.810  602.302  102.574  171.492   30.985  216.613   19.160 -45.12105 36.43101 
1 1 1  -18   -9   14 o  248.725   13.769  783.215   85.186  722.155  159.245  807.692  100.825  233.897   27.809  251.962   16.109 -18.06470 32.13783 
1 1 1  -18   -9   15 o  173.941   12.768  383.441   55.073  383.640  116.571  383.384   62.487  169.196   28.610  173.546   14.553 -4.349930 32.09852 
1 1 1  -18   -9   16 o   67.864   17.542   60.785   29.945   53.515   92.445   61.637   31.652   79.709   31.464   68.362   18.213 11.34699 36.35551 
1 1 1  -18   -9   17 o  119.261   14.619  182.626   42.627  165.251  106.459  185.943   46.519  110.509   34.662  120.057   15.908 -9.547897 38.13846 
1 1 1  -18   -9   18 o  224.243   13.629  638.105   75.956  566.554  152.465  661.727   87.602  204.640   30.789  227.842   15.489 -23.20276 34.46529 
1 1 1  -18   -9   19 f   67.820   27.477   30.512   72.386   0.0000   0.0000   30.512   72.386  ?   ?    67.820   27.477 0.000000 27.47692 
1 1 1  -18   -9   20 o  295.668   13.788  1108.31  101.802  1295.14  202.008  1044.71  117.863  312.646   26.113  285.642   16.595 27.00449 30.94006 
1 1 1  -18   -9   21 o  355.278   15.602  1610.76  138.422  1682.85  260.440  1582.38  163.414  352.181   29.896  350.002   18.765 2.179688 35.29736 
1 1 1  -18   -9   22 o  196.122   13.456  491.402   65.502  562.512  150.613  474.815   72.742  200.850   31.029  192.137   15.287 8.712952 34.59034 
1 1 1  -18   -9   23 o  221.540   16.487  635.658   90.556  725.742  167.337  598.352  107.686  227.806   30.157  212.834   20.515 14.97194 36.47359 
1 1 1  -18   -9   24 f   59.216   18.380   45.924   30.021   91.457  122.384   43.008   30.968   90.495   36.050   57.885   18.757 32.60973 40.63739 
1 1 1  -18   -9   25 o  168.049   13.587  364.978   56.531  456.267  151.354  350.179   60.941  172.159   36.347  163.959   15.052 8.200241 39.34004 
1 1 1  -18   -9   26 o  256.156   13.461  848.214   85.807  1043.27  199.719  804.058   95.024  266.553   30.556  248.072   15.415 18.48064 34.22469 
1 1 1  -18   -9   27 o  133.123   15.305  234.443   49.953   0.0000   0.0000  234.443   49.953  ?   ?   133.123   15.305 0.000000 15.30498 
1 1 1  -18   -9   29 o   91.718   31.184  132.998   85.371   0.0000   0.0000  132.998   85.371  ?   ?    91.718   31.184 0.000000 31.18399 
1 1 1  -18   -9   30 o   79.876   30.213   93.927   82.595   0.0000   0.0000   93.927   82.595  ?   ?    79.876   30.213 0.000000 30.21346 
1 1 1  -18   -8    1 o  352.818   12.363  1564.48  108.926  1527.85  154.238  1600.92  153.851  346.994   17.861  355.788   17.316 -8.794220 24.87683 
1 1 1  -18   -8    2 o  170.175   12.178  365.748   51.410  357.184   60.477  388.059   97.612  167.744   14.583  172.849   23.200 -5.104324 27.40255 
1 1 1  -18   -8    3 o  482.723   15.943  2942.21  192.179  2961.34  271.785  2923.08  271.778  481.594   22.599  478.402   22.749 3.191528 32.06654 
1 1 1  -18   -8    4 o  493.837   16.528  3082.42  203.825  3095.66  288.264  3069.19  288.239  491.871   23.469  489.712   23.570 2.158386 33.26153 
1 1 1  -18   -8    5 o  459.821   15.748  2669.98  180.825  2695.64  255.837  2644.36  255.615  459.437   22.299  454.955   22.499 4.482666 31.67745 
1 1 1  -18   -8    6 o  309.187   14.417  1205.21  111.311  1100.90  198.182  1253.29  134.536  290.619   27.641  314.201   17.212 -23.58197 32.56191 
1 1 1  -18   -8    7 f  386.560   28.744  1948.65  275.480   0.0000   0.0000  1948.65  275.480  ?   ?   386.560   28.744 0.000000 28.74354 
1 1 1  -18   -8    8 o  198.098   13.153  496.234   64.695  281.159  119.876  584.619   76.847  143.393   33.995  214.831   14.408 -71.43755 36.92214 
1 1 1  -18   -8    9 o  360.090   14.879  1636.84  133.793  1756.22  238.648  1582.12  161.572  367.996   26.140  352.543   18.417 15.45288 31.97590 
1 1 1  -18   -8   10 o  137.780   12.670  240.927   43.105  159.726   89.697  265.312   49.153  108.978   31.306  144.432   13.796 -35.45414 34.21066 
1 1 1  -18   -8   11 f  229.195   11.634  662.166   66.368  743.453  127.354  631.859   77.763  240.271   21.451  223.394   14.010 16.87766 25.62114 
1 1 1  -18   -8   12 f  188.924   12.389  451.157   58.126  458.654  115.368  448.607   67.291  186.973   25.364  187.976   14.446 -1.002701 29.18890 
1 1 1  -18   -8   13 o  184.054   14.780  430.624   67.359  487.412  114.931  400.912   83.133  193.121   24.375  176.467   19.174 16.65427 31.01215 
1 1 1  -18   -8   14 o  531.495   19.979  3605.29  265.165  3697.67  464.823  3560.73  322.852  525.005   35.666  525.258   24.614 -0.2537231 43.33495 
1 1 1  -18   -8   15 o  138.426   13.009  243.632   44.443  351.527  100.968  217.704   49.496  163.006   25.652  130.269   15.521 32.73705 29.98204 
1 1 1  -18   -8   16 o  234.710   13.100  696.912   76.474  663.047  148.715  709.086   89.166  224.208   27.112  236.231   15.196 -12.02318 31.08046 
1 1 1  -18   -8   17 o  353.764   14.586  1583.08  128.858  1751.17  237.365  1512.84  153.435  366.064   26.138  344.263   17.910 21.80124 31.68521 
1 1 1  -18   -8   18 o  131.974   13.938  222.542   45.241  222.702  108.997  222.509   49.727  126.693   33.819  131.633   15.420 -4.940193 37.16880 
1 1 1  -18   -8   19 o  264.032   25.205  915.341  164.165   0.0000   0.0000  915.341  164.165  ?   ?   264.032   25.205 0.000000 25.20461 
1 1 1  -18   -8   20 o  242.439   13.510  746.013   81.466  769.422  166.780  738.678   93.362  239.813   28.401  240.584   15.625 -0.7712555 32.41566 
1 1 1  -18   -8   21 o  149.443   14.405  286.057   53.093  218.486  128.412  299.990   58.311  123.877   37.941  152.773   15.499 -28.89619 40.98444 
1 1 1  -18   -8   22 o  165.527   13.938  350.554   57.075  363.609  138.706  347.893   62.622  158.948   35.805  164.450   15.430 -5.502365 38.98807 
1 1 1  -18   -8   23 o  101.026   16.122  133.885   39.305  197.840  123.073  126.621   41.477  116.749   37.346   97.749   17.641 19.00077 41.30346 
1 1 1  -18   -8   24 o  120.835   16.831  191.754   49.409  293.444  130.788  174.825   53.363  139.599   36.942  114.390   19.373 25.20910 41.71376 
1 1 1  -18   -8   25 o  239.351   13.405  735.333   79.797  955.272  180.717  682.064   88.937  261.559   28.109  229.376   15.620 32.18324 32.15742 
1 1 1  -18   -8   26 o  122.900   14.659  197.548   44.100  215.557  141.495  195.611   46.412  116.070   40.125  121.930   15.601 -5.861008 43.05066 
1 1 1  -18   -8   27 o  166.593   14.358  362.015   59.147  469.823  166.303  346.403   63.284  168.246   40.143  162.199   15.826 6.047150 43.14977 
1 1 1  -18   -8   28 o  182.214   27.726  486.109  122.180   0.0000   0.0000  486.109  122.180  ?   ?   182.214   27.726 0.000000 27.72603 
1 1 1  -18   -8   29 o  130.876   30.894  267.875   99.348   0.0000   0.0000  267.875   99.348  ?   ?   130.876   30.894 0.000000 30.89437 
1 1 1  -18   -8   30 o  100.271   32.029  163.660   90.548   0.0000   0.0000  163.660   90.548  ?   ?   100.271   32.029 0.000000 32.02944 
1 1 1  -18   -8   31 o  100.842   32.239  170.547   91.721   0.0000   0.0000  170.547   91.721  ?   ?   100.842   32.239 0.000000 32.23867 
1 1 1  -18   -7    1 o  320.263   12.123  1288.54   96.953  1337.00  137.631  1240.81  136.600  324.835   17.026  312.752   17.561 12.08289 24.46004 
1 1 1  -18   -7    2 o  287.423   11.512  1037.28   82.628  1017.95  116.368  1056.95  117.345  283.431   16.513  288.873   16.334 -5.441803 23.22646 
1 1 1  -18   -7    3 o  294.094   11.451  1086.02   84.097  1113.48  119.045  1058.65  118.818  296.548   16.136  289.033   16.531 7.514648 23.10071 
1 1 1  -18   -7    4 o  141.234   9.8589  251.318   34.553  266.056   48.636  236.298   49.098  144.765   13.614  136.164   14.671 8.601532 20.01441 
1 1 1  -18   -7    5 o  276.766   10.620  961.213   73.396  913.846  103.595  1008.95  104.000  268.670   15.507  282.519   14.793 -13.84818 21.43086 
1 1 1  -18   -7    6 o  219.739   10.056  605.647   55.179  601.708   78.257  609.542   77.815  218.028   14.455  219.486   14.275 -1.457275 20.31581 
1 1 1  -18   -7    7 o  286.229   17.133  1040.37  121.896  1220.75  167.808  838.865  177.363  308.545   21.922  253.047   28.568 55.49797 36.00996 
1 1 1  -18   -7    8 o  351.308   18.810  1570.97  164.417   0.0000   0.0000  1570.97  164.417  ?   ?   351.308   18.810 0.000000 18.80995 
1 1 1  -18   -7    9 o  371.782   15.004  1744.57  139.296  2001.66  248.232  1626.41  168.291  393.572   25.393  357.364   18.926 36.20706 31.66955 
1 1 1  -18   -7   10 o  234.254   12.795  692.696   74.565  728.474  138.478  678.086   88.488  237.204   23.695  231.195   15.415 6.008972 28.26814 
1 1 1  -18   -7   11 o  273.373   13.258  941.372   90.505  939.477  165.388  942.183  108.132  269.095   24.894  272.506   15.960 -3.411072 29.57076 
1 1 1  -18   -7   12 o  114.709   13.839  168.235   38.842   47.203   86.370  198.919   43.488   76.923   30.398  124.793   14.208 -47.86984 33.55420 
1 1 1  -18   -7   13 o  159.272   12.694  321.385   50.068  324.735  102.669  320.339   57.349  156.224   27.312  158.635   14.642 -2.410690 30.98898 
1 1 1  -18   -7   14 f  299.896   15.590  1140.51  116.348  1471.34  179.616  901.343  152.719  338.545   21.355  263.886   23.419 74.65921 31.69361 
1 1 1  -18   -7   15 o  306.442   14.231  1185.56  108.905  1195.94  199.001  1181.13  130.118  302.630   26.603  304.646   17.174 -2.016571 31.66465 
1 1 1  -18   -7   16 o  335.352   14.330  1420.52  120.001  1422.90  218.728  1419.50  143.531  329.990   26.774  333.941   17.271 -3.951080 31.86108 
1 1 1  -18   -7   17 o  265.511   12.898  888.810   85.520  967.042  164.278  859.728  100.162  272.604   24.390  260.135   15.489 12.46921 28.89250 
1 1 1  -18   -7   18 o  262.287   13.717  871.130   89.530  832.011  171.506  885.784  104.968  250.947   27.837  263.828   16.008 -12.88181 32.11192 
1 1 1  -18   -7   19 o  124.234   13.485  197.167   41.165  362.232  111.019  170.856   44.324  164.251   28.076  115.026   15.852 49.22492 32.24170 
1 1 1  -18   -7   20 o  377.016   29.605  1890.94  276.483   0.0000   0.0000  1890.94  276.483  ?   ?   377.016   29.605 0.000000 29.60497 
1 1 1  -18   -7   21 o  331.799   14.962  1397.63  123.969  1415.61  235.086  1390.70  145.904  325.397   29.243  329.405   17.803 -4.008636 34.23639 
1 1 1  -18   -7   22 o  200.014   13.173  508.809   65.426  439.194  145.646  526.408   73.230  176.838   34.219  203.059   14.538 -26.22035 37.17888 
1 1 1  -18   -7   23 o  154.622   13.679  306.032   52.270  366.787  132.823  294.899   56.858  160.342   34.215  151.310   15.256 9.032227 37.46194 
1 1 1  -18   -7   24 o   93.784   17.595  116.845   39.694  107.652  121.393  117.945   42.003   95.312   36.490   93.960   18.560 1.352570 40.93906 
1 1 1  -18   -7   25 o  102.108   18.199  139.102   44.704  155.535  129.195  136.867   47.647  105.439   38.161  100.778   19.639 4.661560 42.91810 
1 1 1  -18   -7   26 o   90.557   18.388  110.770   40.163   0.0000   0.0000  110.770   40.163  ?   ?    90.557   18.388 0.000000 18.38824 
1 1 1  -18   -7   27 o  100.914   18.368  137.730   44.582  383.932  144.818  111.954   46.858  155.573   37.677   89.761   21.236 65.81251 43.24958 
1 1 1  -18   -7   28 o  240.280   14.098  750.113   84.219  895.521  194.709  716.647   93.409  243.283   32.893  233.452   16.122 9.830948 36.63152 
1 1 1  -18   -7   29 o   59.868   26.391   1.0332   76.909   0.0000   0.0000   1.0332   76.909  ?   ?    59.868   26.391 0.000000 26.39147 
1 1 1  -18   -7   30 o  254.095   28.108  958.244  175.363   0.0000   0.0000  958.244  175.363  ?   ?   254.095   28.108 0.000000 28.10765 
1 1 1  -18   -7   31 o  116.423   33.227  225.305  101.361   0.0000   0.0000  225.305  101.361  ?   ?   116.423   33.227 0.000000 33.22676 
1 1 1  -18   -7   32 f  219.788   29.046  750.138  155.515   0.0000   0.0000  750.138  155.515  ?   ?   219.788   29.046 0.000000 29.04639 
1 1 1  -18   -6    1 o  298.145   15.832  1124.34  117.450  1124.34  117.450   0.0000   0.0000  298.145   15.832  ?   ?  0.000000 15.83195 
1 1 1  -18   -6    2 o  197.012   9.7228  486.525   47.834  518.752   67.331  453.686   67.968  202.648   13.380  189.258   14.491 13.39034 19.72409 
1 1 1  -18   -6    3 o  189.279   9.9671  450.422   46.945  429.323   65.807  472.286   66.989  184.077   14.432  193.205   13.979 -9.127487 20.09191 
1 1 1  -18   -6    4 o  311.651   11.150  1219.14   86.774  1219.34  122.796  1218.94  122.638  310.442   15.893  310.394   15.875 0.4776001E-01 22.46365 
1 1 1  -18   -6    5 o  239.904   10.993  722.379   65.859  730.463   93.225  714.325   93.051  240.112   15.633  237.401   15.786 2.711243 22.21686 
1 1 1  -18   -6    6 o  118.691   10.152  177.971   29.801  180.118   41.705  175.732   42.598  118.728   14.358  117.150   14.898 1.577454 20.69087 
1 1 1  -18   -6    7 o  270.827   17.095  931.371  115.023  1200.81  158.493  631.555  167.188  306.474   20.833  218.108   31.618 88.36624 37.86436 
1 1 1  -18   -6    8 o  126.830   14.611  205.415   45.429  223.868   55.985  169.841   77.735  131.890   17.425  112.489   27.826 19.40080 32.83200 
1 1 1  -18   -6    9 o  472.026   16.030  2815.49  188.951  2962.52  267.749  2669.62  266.689  481.537   22.266  455.969   23.502 25.56763 32.37461 
1 1 1  -18   -6   10 o  325.611   14.549  1337.21  118.300  1294.51  210.636  1356.88  142.981  315.500   26.995  326.792   17.586 -11.29251 32.21782 
1 1 1  -18   -6   11 o  288.625   12.988  1048.72   93.610  1162.54  170.763  999.818  111.927  300.488   22.930  280.776   16.030 19.71133 27.97765 
1 1 1  -18   -6   12 o  104.858   14.367  141.198   36.632  139.922   83.899  141.498   40.718  102.582   30.505  104.612   16.103 -2.029922 34.49477 
1 1 1  -18   -6   13 o  487.317   17.895  3013.47  217.763  3334.22  384.630  2862.15  264.181  504.000   30.707  472.792   22.376 31.20740 37.99482 
1 1 1  -18   -6   14 o  229.576   11.901  664.644   67.994  798.273  132.025  616.406   79.322  249.047   21.438  220.533   14.484 28.51395 25.87197 
1 1 1  -18   -6   15 o  243.950   16.062  756.349   97.300  733.719  151.776  772.140  126.780  236.898   26.089  245.017   20.921 -8.119583 33.44112 
1 1 1  -18   -6   16 o  418.193   15.272  2211.39  159.482  2497.45  287.104  2083.73  191.793  438.309   26.353  404.560   18.985 33.74976 32.47919 
1 1 1  -18   -6   17 o   83.203   17.643   91.164   35.520 -118.2358   90.616  129.180   38.610   51.721   24.746   99.797   16.036 -48.07644 29.48772 
1 1 1  -18   -6   18 o  263.628   13.632  879.467   89.438  947.959  173.050  854.504  104.474  269.131   26.076  259.132   16.227 9.998688 30.71248 
1 1 1  -18   -6   19 o  125.501   14.326  201.601   44.094  317.241  110.474  179.688   48.091  152.959   29.994  117.827   16.822 35.13156 34.38961 
1 1 1  -18   -6   20 o  159.149   13.836  322.475   54.442  252.042  122.458  339.826   60.779  134.206   35.857  163.115   15.092 -28.90939 38.90399 
1 1 1  -18   -6   21 o  308.419   26.909  1255.32  205.168   0.0000   0.0000  1255.32  205.168  ?   ?   308.419   26.909 0.000000 26.90853 
1 1 1  -18   -6   22 o  160.171   13.041  326.538   51.708  510.505  132.628  293.562   56.151  194.805   28.074  151.322   15.060 43.48357 31.85840 
1 1 1  -18   -6   23 o  151.533   14.386  294.253   53.785  153.137  129.514  323.661   59.124  107.860   38.304  158.788   15.092 -50.92870 41.17039 
1 1 1  -18   -6   24 f  135.383   14.776  236.311   49.144  160.258  133.957  248.139   52.828  108.909   38.926  138.543   15.537 -29.63412 41.91235 
1 1 1  -18   -6   25 o   60.477   18.784   47.525   31.351  115.964  123.956   42.848   32.404   97.196   36.954   58.351   19.202 38.84484 41.64450 
1 1 1  -18   -6   26 o  135.750   39.792  287.132  143.616  287.132  143.616   0.0000   0.0000  135.750   39.792  ?   ?  0.000000 39.79205 
1 1 1  -18   -6   27 f  121.155   15.324  192.334   45.325  392.467  146.304  171.087   47.670  159.042   37.456  113.404   17.388 45.63776 41.29530 
1 1 1  -18   -6   28 o  275.701   14.643  986.291  100.451  1097.72  218.125  956.298  113.164  271.653   32.820  269.803   16.881 1.849518 36.90680 
1 1 1  -18   -6   29 o  237.332   14.326  733.443   84.509  810.987  196.604  715.869   93.597  227.445   35.798  233.156   16.176 -5.711838 39.28326 
1 1 1  -18   -6   30 o  149.977   30.175  341.920  109.096   0.0000   0.0000  341.920  109.096  ?   ?   149.977   30.175 0.000000 30.17451 
1 1 1  -18   -6   31 o   70.450   29.188   47.512   84.020   0.0000   0.0000   47.512   84.020  ?   ?    70.450   29.188 0.000000 29.18751 
1 1 1  -18   -6   32 o   84.702   32.013  107.888   92.680   0.0000   0.0000  107.888   92.680  ?   ?    84.702   32.013 0.000000 32.01312 
1 1 1  -18   -6   33 o   70.487   29.656   51.290   88.749   0.0000   0.0000   51.290   88.749  ?   ?    70.487   29.656 0.000000 29.65645 
1 1 1  -18   -5    1 o  103.986   10.944  137.143   27.993  175.497   38.798   95.499   40.428  117.372   13.482   85.153   19.440 32.21952 23.65740 
1 1 1  -18   -5    2 o  165.640   9.8713  345.138   40.646  361.593   56.925  328.023   58.056  169.007   13.603  160.741   14.623 8.266006 19.97215 
1 1 1  -18   -5    3 o  140.258   10.040  247.894   34.932  275.086   49.047  219.900   49.765  147.277   13.486  131.180   15.491 16.09747 20.53828 
1 1 1  -18   -5    4 o  198.387   10.212  494.841   50.419  520.764   71.095  468.613   71.512  202.904   14.119  192.259   15.014 10.64514 20.61019 
1 1 1  -18   -5    5 o  340.867   12.629  1460.55  107.497  1527.04  152.116  1394.23  151.933  347.011   17.612  331.290   18.438 15.72101 25.49792 
1 1 1  -18   -5    6 o  379.124   13.254  1808.26  125.478  1801.97  177.533  1814.53  177.374  376.539   18.941  378.352   18.773 -1.813141 26.66847 
1 1 1  -18   -5    7 o  193.817   9.4669  470.879   45.819  475.970   64.950  465.835   64.647  194.013   13.490  191.911   13.577 2.102463 19.13947 
1 1 1  -18   -5    8 o  199.921   14.971  506.786   74.199  588.660   98.637  400.065  112.614  214.712   18.579  174.428   26.704 40.28404 32.53126 
1 1 1  -18   -5    9 o  259.424   10.884  844.862   70.512  863.018   99.747  826.726   99.691  261.061   15.368  255.416   15.706 5.645447 21.97422 
1 1 1  -18   -5   10 o  264.703   11.112  879.901   73.453  873.795  103.762  886.035  103.995  262.532   15.902  264.391   15.824 -1.858337 22.43385 
1 1 1  -18   -5   11 o  116.569   13.672  173.449   39.041  133.850   82.938  184.722   44.250  100.699   30.418  120.071   15.092 -19.37139 33.95591 
1 1 1  -18   -5   12 o  140.492   13.221  250.679   45.838  235.839   92.279  255.541   52.815  132.439   28.728  141.484   15.186 -9.045776 32.49526 
1 1 1  -18   -5   13 o  237.041   12.639  709.077   74.543  837.103  141.080  659.492   87.799  254.872   22.393  227.958   15.516 26.91425 27.24341 
1 1 1  -18   -5   14 o   91.753   14.993  108.973   33.167  209.240   83.806   90.353   36.115  124.793   27.623   82.843   17.974 41.95007 32.95584 
1 1 1  -18   -5   15 o  216.119   15.378  593.149   82.452  596.581  131.604  590.932  105.788  213.820   25.126  214.485   19.981 -0.6651764 32.10250 
1 1 1  -18   -5   16 o  301.192   13.341  1143.32  100.344  1397.57  186.980  1040.47  118.919  329.318   22.879  286.103   16.718 43.21402 28.33578 
1 1 1  -18   -5   17 f  170.217   13.092  367.225   55.222  352.746  115.576  371.508   62.862  162.044   29.654  170.845   14.883 -8.800247 33.17975 
1 1 1  -18   -5   18 o  267.131   12.868  899.273   85.836  1087.30  167.170  831.949  100.030  289.864   23.291  255.894   15.730 33.96959 28.10560 
1 1 1  -18   -5   19 o  227.884   13.413  657.417   75.992  577.766  149.674  685.080   88.206  208.088   29.642  232.174   15.299 -24.08635 33.35722 
1 1 1  -18   -5   20 o  201.769   13.347  516.022   66.871  521.611  139.271  514.347   76.234  197.562   29.101  200.970   15.305 -3.407196 32.88077 
1 1 1  -18   -5   21 o  335.496   15.532  1427.50  130.126  1254.20  241.185  1498.66  154.550  305.504   32.094  342.345   18.143 -36.84021 36.86716 
1 1 1  -18   -5   22 o  109.697   31.466  165.243   90.679   0.0000   0.0000  165.243   90.679  ?   ?   109.697   31.466 0.000000 31.46612 
1 1 1  -18   -5   23 o  236.358   12.714  708.335   74.766  1043.91  167.004  624.220   83.613  281.996   23.942  221.091   15.237 60.90479 28.37946 
1 1 1  -18   -5   24 o  190.019   13.825  460.791   65.151  429.505  148.833  468.208   72.463  173.570   35.534  191.086   15.314 -17.51639 38.69375 
1 1 1  -18   -5   25 o   91.761   17.698  111.837   39.084   0.0000   0.0000  111.837   39.084  ?   ?    91.761   17.698 0.000000 17.69779 
1 1 1  -18   -5   26 o  168.011   17.312  368.206   71.591  256.477  150.854  400.685   81.334  129.227   41.348  174.613   18.957 -45.38568 45.48691 
1 1 1  -18   -5   27 o  111.616   15.801  163.598   42.811  249.522  135.516  154.072   45.122  126.741   39.003  107.724   17.364 19.01654 42.69308 
1 1 1  -18   -5   28 o  137.781   14.607  247.315   49.491  182.430  143.446  256.082   52.729  109.432   40.118  139.935   15.341 -30.50307 42.95119 
1 1 1  -18   -5   29 o  288.615   15.759  1088.48  113.149  953.345  234.390  1129.54  129.200  243.352   39.958  292.261   17.787 -48.90843 43.73784 
1 1 1  -18   -5   30 o   43.360   17.108   15.689   27.320 -34.3955  144.873   17.536   27.819   73.526   33.913   44.386   17.339 29.13975 38.08859 
1 1 1  -18   -5   31 o  116.281   32.992  216.620  100.235   0.0000   0.0000  216.620  100.235  ?   ?   116.281   32.992 0.000000 32.99160 
1 1 1  -18   -5   32 o   82.311   31.920   94.075   93.755   0.0000   0.0000   94.075   93.755  ?   ?    82.311   31.920 0.000000 31.92050 
1 1 1  -18   -5   33 o   74.655   30.585   65.882   90.909   0.0000   0.0000   65.882   90.909  ?   ?    74.655   30.585 0.000000 30.58467 
1 1 1  -18   -5   34 o   94.442   33.425  153.485   98.536   0.0000   0.0000  153.485   98.536  ?   ?    94.442   33.425 0.000000 33.42459 
1 1 1  -18   -4    1 o  242.320   10.457  736.371   63.278  769.223   88.824  702.519   90.167  246.761   14.478  235.596   15.411 11.16522 21.14496 
1 1 1  -18   -4    2 o  352.237   12.426  1558.77  109.302  1569.76  154.109  1547.65  155.047  352.406   17.512  349.401   17.829 3.004761 24.99109 
1 1 1  -18   -4    3 o  354.607   12.092  1579.38  107.081  1616.25  151.257  1542.34  151.615  357.709   16.933  349.327   17.380 8.382507 24.26536 
1 1 1  -18   -4    4 o  219.768   10.097  605.574   55.414  605.496   77.970  605.653   78.772  218.833   14.347  218.832   14.497 0.9307861E-03 20.39632 
1 1 1  -18   -4    5 o  285.504   10.641  1022.56   75.867  1020.42  106.988  1024.73  107.598  284.131   15.133  284.720   15.188 -0.5885620 21.44057 
1 1 1  -18   -4    6 o   92.065   11.623  108.095   26.125  134.930   36.355   79.437   37.569  102.489   14.619   77.645   19.424 24.84451 24.31104 
1 1 1  -18   -4    7 o  274.927   10.685  948.384   73.360  977.229  104.081  919.908  103.415  278.014   15.048  269.627   15.423 8.386475 21.54798 
1 1 1  -18   -4    8 o  113.152   15.245  164.307   41.979  193.920   51.441  105.270   72.633  122.669   17.271   90.598   28.660 32.07122 33.46121 
1 1 1  -18   -4    9 o  111.875   15.136  160.653   41.201  176.367   49.718  126.208   73.611  116.798   17.592   97.705   28.445 19.09351 33.44545 
1 1 1  -18   -4   10 o  214.098   10.201  575.048   54.537  562.914   76.962  587.287   77.295  210.793   14.713  215.382   14.455 -4.589157 20.62560 
1 1 1  -18   -4   11 o  313.315   11.402  1233.11   89.209  1186.45  126.178  1279.75  126.143  305.875   16.581  318.290   15.870 -12.41486 22.95228 
1 1 1  -18   -4   12 o   90.777   12.011  105.363   26.559  119.781   37.968   91.547   37.166   96.036   16.422   83.383   18.347 12.65305 24.62315 
1 1 1  -18   -4   13 o  307.376   13.731  1190.44  105.396  1326.73  190.841  1130.62  126.425  320.708   24.003  298.363   17.039 22.34500 29.43620 
1 1 1  -18   -4   14 o  179.829   12.163  408.536   54.300  487.890  108.695  382.147   62.681  193.951   22.883  173.441   14.608 20.51065 27.14828 
1 1 1  -18   -4   15 o  364.957   14.646  1680.93  133.474  1949.66  240.422  1561.20  160.476  388.431   24.918  350.181   18.416 38.25095 30.98445 
1 1 1  -18   -4   16 o   83.284   18.483   91.474   37.435   76.131   86.913   94.969   41.480   84.282   31.172   84.700   19.942 -0.4177628 37.00515 
1 1 1  -18   -4   17 o  107.789   14.104  148.996   37.053  279.197   94.984  125.626   40.241  144.592   27.307   98.213   17.025 46.37868 32.17929 
1 1 1  -18   -4   18 o  168.298   12.045  358.213   50.285  588.702  116.305  305.221   55.767  213.262   22.163  154.794   14.599 58.46721 26.53915 
1 1 1  -18   -4   19 o  261.370   13.283  863.585   86.415  1052.13  168.164  795.933  100.732  284.856   23.860  250.136   16.214 34.71994 28.84797 
1 1 1  -18   -4   20 o  224.464   13.951  638.628   77.810  575.369  155.590  659.726   89.853  207.006   31.057  227.652   15.905 -20.64624 34.89302 
1 1 1  -18   -4   21 o  221.698   13.839  623.274   76.230  596.245  154.632  631.952   87.617  210.882   30.228  222.711   15.858 -11.82875 34.13509 
1 1 1  -18   -4   22 o  312.046   27.227  1283.81  210.038   0.0000   0.0000  1283.81  210.038  ?   ?   312.046   27.227 0.000000 27.22712 
1 1 1  -18   -4   23 f  160.174   14.778  328.056   58.444  177.422  137.965  360.999   64.519  115.141   39.631  167.879   15.567 -52.73808 42.57909 
1 1 1  -18   -4   24 o  389.082   15.942  1929.42  154.894  2215.52  290.142  1815.38  183.181  406.921   28.738  374.983   19.631 31.93765 34.80245 
1 1 1  -18   -4   25 o  251.076   30.820  865.776  189.178  865.776  189.178   0.0000   0.0000  251.076   30.820  ?   ?  0.000000 30.81991 
1 1 1  -18   -4   26 o  367.166   15.266  1725.12  139.971  1970.32  268.436  1633.56  164.036  380.334   28.470  354.795   18.579 25.53830 33.99590 
1 1 1  -18   -4   27 o  166.557   16.226  360.587   66.631  495.773  148.764  326.661   74.524  185.175   33.400  157.139   19.404 28.03583 38.62711 
1 1 1  -18   -4   28 o  145.825   14.631  276.013   52.560  348.025  149.178  265.806   56.161  148.498   39.529  142.529   16.059 5.969254 42.66686 
1 1 1  -18   -4   29 o  262.931   13.808  892.075   90.342  1020.34  203.291  860.511  100.847  264.543   31.385  256.950   15.793 7.592712 35.13491 
1 1 1  -18   -4   30 o  195.981   13.852  498.574   67.355  632.542  181.243  477.108   72.551  199.258   37.808  190.872   15.351 8.386032 40.80544 
1 1 1  -18   -4   31 o  288.014   14.815  1084.17  106.192  983.893  232.281  1110.66  119.400  244.488   39.384  289.918   16.561 -45.43048 42.72387 
1 1 1  -18   -4   32 o  146.191   31.377  331.717  111.120   0.0000   0.0000  331.717  111.120  ?   ?   146.191   31.377 0.000000 31.37683 
1 1 1  -18   -4   33 o  149.874   32.916  361.402  119.822   0.0000   0.0000  361.402  119.822  ?   ?   149.874   32.916 0.000000 32.91598 
1 1 1  -18   -4   34 o   79.288   31.857   85.562   96.434   0.0000   0.0000   85.562   96.434  ?   ?    79.288   31.857 0.000000 31.85746 
1 1 1  -18   -4   35 f  115.748   34.816  240.906  108.827   0.0000   0.0000  240.906  108.827  ?   ?   115.748   34.816 0.000000 34.81642 
1 1 1  -18   -3    1 o  383.895   12.702  1851.97  121.771  1743.36  171.111  1963.41  173.333  371.150   18.462  394.116   17.612 -22.96582 25.51511 
1 1 1  -18   -3    2 o  253.647   10.394  806.781   65.837  780.302   92.293  834.217   93.945  248.443   14.946  256.962   14.702 -8.519394 20.96449 
1 1 1  -18   -3    3 o  388.854   13.700  1902.25  133.030  1822.53  187.579  1982.91  188.691  378.543   19.914  395.613   19.100 -17.07050 27.59260 
1 1 1  -18   -3    4 o  506.459   16.292  3237.26  206.051  3243.32  291.060  3231.16  291.741  504.210   23.116  503.218   23.216 0.9924011 32.76222 
1 1 1  -18   -3    5 o  227.476   10.178  648.845   57.814  644.132   81.324  653.661   82.206  225.701   14.506  227.361   14.555 -1.660706 20.54937 
1 1 1  -18   -3    6 o  213.667   10.019  572.417   53.460  534.010   75.008  612.070   76.214  205.365   14.724  220.084   13.939 -14.71884 20.27555 
1 1 1  -18   -3    7 o  204.911   10.010  526.493   51.219  564.674   72.361  488.156   72.508  211.372   13.785  196.255   14.906 15.11691 20.30314 
1 1 1  -18   -3    8 o  308.431   17.243  1206.62  132.273  1275.81  182.170  1129.46  192.371  315.180   23.311  295.299   26.364 19.88077 35.19207 
1 1 1  -18   -3    9 o  319.556   16.491  1293.55  131.150  1144.19  179.043  1466.48  192.652  297.974   24.273  338.093   22.954 -40.11899 33.40764 
1 1 1  -18   -3   10 o  123.943   10.411  194.079   31.924  203.704   45.103  184.415   45.193  126.317   14.565  119.935   15.449 6.382927 21.23233 
1 1 1  -18   -3   11 o  322.814   12.492  1310.41  100.699  1348.48  142.495  1272.42  142.326  325.890   17.575  316.383   18.090 9.507324 25.22099 
1 1 1  -18   -3   12 o  403.337   13.529  2048.50  136.265  2023.80  192.618  2073.25  192.798  399.149   19.325  404.074   19.107 -4.924408 27.17565 
1 1 1  -18   -3   13 o  339.366   12.725  1449.04  107.836  1498.94  152.931  1399.69  152.079  343.440   17.894  331.665   18.435 11.77448 25.69091 
1 1 1  -18   -3   14 o  163.800   13.097  339.878   53.123  282.091  102.998  360.822   62.008  144.926   29.464  168.458   14.894 -23.53233 33.01397 
1 1 1  -18   -3   15 o  293.155   13.495  1082.63   98.791  1128.59  179.895  1062.78  118.211  295.358   24.615  289.393   16.425 5.965149 29.59164 
1 1 1  -18   -3   16 o  217.090   15.479  598.386   83.363  600.256  134.068  597.207  106.441  214.429   25.540  215.690   19.989 -1.261368 32.43238 
1 1 1  -18   -3   17 o  101.374   16.635  133.383   40.649  277.301   92.031   98.500   45.309  144.404   26.498   86.162   21.202 58.24271 33.93622 
1 1 1  -18   -3   18 o  245.691   13.188  762.722   80.617  830.033  155.364  737.921   94.306  252.620   24.954  241.042   15.754 11.57791 29.51126 
1 1 1  -18   -3   19 o  149.594   12.825  283.928   47.448  451.456  113.829  248.699   52.199  185.447   25.235  139.457   15.237 45.99028 29.47843 
1 1 1  -18   -3   20 o  132.587   14.763  224.830   48.048  182.305  112.263  234.367   53.164  115.999   35.466  135.113   16.072 -19.11489 38.93790 
1 1 1  -18   -3   21 o  246.507   12.934  768.268   79.341  992.326  162.833  698.513   90.856  276.389   23.825  234.342   15.615 42.04724 28.48619 
1 1 1  -18   -3   22 o  335.043   15.218  1422.07  127.326  1472.73  238.672  1401.91  150.536  333.692   28.928  331.138   18.275 2.553619 34.21742 
1 1 1  -18   -3   23 o  354.845   29.095  1672.31  255.548   0.0000   0.0000  1672.31  255.548  ?   ?   354.845   29.095 0.000000 29.09510 
1 1 1  -18   -3   24 o  338.045   17.308  1462.78  145.616   0.0000   0.0000  1462.78  145.616  ?   ?   338.045   17.308 0.000000 17.30782 
1 1 1  -18   -3   25 o   96.314   18.444  122.883   42.745   13.941  126.061  137.036   45.436   80.477   34.648  101.808   18.556 -21.33037 39.30385 
1 1 1  -18   -3   26 o  229.155   14.005  670.647   79.760  878.552  173.531  614.961   89.809  254.643   27.738  218.413   16.590 36.22961 32.32088 
1 1 1  -18   -3   27 o  158.510   14.195  323.212   55.591  329.584  144.996  322.114   60.191  147.659   38.812  157.807   15.473 -10.14812 41.78288 
1 1 1  -18   -3   28 o   89.847   19.401  109.347   42.254   50.749  134.272  115.788   44.516   85.891   36.326   92.361   19.889 -6.470589 41.41396 
1 1 1  -18   -3   29 f  165.011   14.566  353.177   59.406  327.487  156.424  357.507   64.217  141.607   41.534  165.523   15.725 -23.91599 44.41125 
1 1 1  -18   -3   30 f  116.482   14.813  178.163   42.113  452.179  153.811  155.957   43.786  169.279   37.384  108.133   16.758 61.14524 40.96846 
1 1 1  -18   -3   31 o  192.521   13.418  480.581   64.106  738.395  187.497  446.453   68.218  217.340   35.793  184.726   14.915 32.61365 38.77622 
1 1 1  -18   -3   32 o  144.753   15.549  277.317   55.324   0.0000   0.0000  277.317   55.324  ?   ?   144.753   15.549 0.000000 15.54874 
1 1 1  -18   -3   33 o  168.759   31.478  441.086  127.776   0.0000   0.0000  441.086  127.776  ?   ?   168.759   31.478 0.000000 31.47805 
1 1 1  -18   -3   34 o   64.291   28.614   5.7852   92.552   0.0000   0.0000   5.7852   92.552  ?   ?    64.291   28.614 0.000000 28.61426 
1 1 1  -18   -3   35 o  101.221   34.868  179.724  106.805   0.0000   0.0000  179.724  106.805  ?   ?   101.221   34.868 0.000000 34.86822 
1 1 1  -18   -2    1 o  236.368   10.518  700.679   62.083  675.968   86.655  726.740   88.990  231.145   15.096  239.735   14.939 -8.590790 21.23803 
1 1 1  -18   -2    2 o  503.601   16.347  3200.52  205.583  3122.36  289.919  3279.58  291.565  494.638   23.471  507.147   23.022 -12.50861 32.87762 
1 1 1  -18   -2    3 o  246.751   10.349  763.498   63.769  778.746   89.380  747.691   91.007  248.282   14.479  243.147   15.063 5.134644 20.89297 
1 1 1  -18   -2    4 o  309.372   11.951  1201.96   92.331  1176.68  129.879  1227.80  131.285  304.710   17.138  311.329   16.951 -6.618469 24.10481 
1 1 1  -18   -2    5 o  216.536   9.9549  587.815   53.829  559.455   75.205  617.610   77.083  210.303   14.407  221.081   14.035 -10.77792 20.11327 
1 1 1  -18   -2    6 o  120.784   10.560  184.375   31.531  218.209   43.987  148.615   45.222  131.001   13.647  107.082   17.518 23.91908 22.20577 
1 1 1  -18   -2    7 o  204.822   10.610  527.677   54.083  577.748   76.306  477.133   76.665  213.711   14.382  193.808   15.983 19.90366 21.50129 
1 1 1  -18   -2    8 o  409.659   20.897  2139.64  213.059  2345.71  297.777  1923.49  304.975  425.446   28.188  382.948   32.190 42.49808 42.78733 
1 1 1  -18   -2    9 o  142.396   14.172  257.834   49.724  250.053   61.982  271.884   83.287  139.380   18.246  143.987   24.009 -4.607162 30.15552 
1 1 1  -18   -2   10 o  277.676   10.978  967.834   76.124  1014.40  107.945  921.761  107.368  283.168   15.322  269.724   16.012 13.44351 22.16243 
1 1 1  -18   -2   11 o  234.456   11.005  690.082   64.432  741.187   91.371  639.536   90.871  241.927   15.202  224.406   16.328 17.52058 22.30884 
1 1 1  -18   -2   12 f  210.275   9.9251  554.563   52.116  555.556   73.664  553.568   73.743  209.512   14.163  209.127   14.205 0.3853912 20.05922 
1 1 1  -18   -2   13 o  453.251   15.165  2592.56  171.641  2583.56  242.676  2601.58  242.798  450.017   21.595  451.613   21.529 -1.595764 30.49330 
1 1 1  -18   -2   14 o  316.222   12.350  1257.57   97.523  1243.11  137.824  1272.07  138.013  312.735   17.721  316.425   17.535 -3.689545 24.92987 
1 1 1  -18   -2   15 o  250.357   10.916  787.091   68.247  843.011   97.437  733.236   95.620  257.976   15.192  240.336   16.024 17.64063 22.08103 
1 1 1  -18   -2   16 o  348.719   15.236  1535.61  132.680  1543.21  237.140  1532.15  160.082  344.096   27.836  346.920   18.545 -2.823486 33.44831 
1 1 1  -18   -2   17 o  155.987   15.326  310.216   58.927  306.376  104.993  311.982   71.198  151.279   28.846  155.663   18.690 -4.383408 34.37106 
1 1 1  -18   -2   18 o  135.798   13.424  234.581   44.926  320.957  102.110  213.846   50.029  155.347   27.319  129.111   15.850 26.23541 31.58408 
1 1 1  -18   -2   19 o   78.705   17.732   81.663   34.015  115.277   95.269   76.751   36.416   96.321   32.941   76.203   19.157 20.11772 38.10677 
1 1 1  -18   -2   20 o  245.120   13.335  759.681   81.317  794.177  159.393  747.544   94.546  246.336   26.319  242.569   15.693 3.766891 30.64194 
1 1 1  -18   -2   21 o  292.468   13.341  1078.86   97.436  1213.81  187.959  1029.27  113.940  305.552   24.849  284.583   16.099 20.96945 29.60820 
1 1 1  -18   -2   22 o  341.940   15.613  1481.37  133.315  1546.90  248.283  1454.82  158.029  342.145   29.343  337.261   18.839 4.884125 34.87035 
1 1 1  -18   -2   23 o  356.253   15.475  1609.32  137.672  1758.06  266.500  1555.17  160.788  364.043   29.571  348.592   18.537 15.45160 34.90084 
1 1 1  -18   -2   25 o  154.392   14.621  305.275   55.698  257.954  139.472  314.254   60.753  133.701   39.220  156.349   15.776 -22.64813 42.27417 
1 1 1  -18   -2   26 o  334.904   15.430  1430.87  129.046  1327.82  246.103  1469.94  151.551  310.546   32.203  337.698   18.037 -27.15152 36.91028 
1 1 1  -18   -2   27 o  345.034   15.401  1523.24  132.701  1630.52  256.491  1484.02  155.068  344.480   30.119  338.363   18.422 6.117004 35.30617 
1 1 1  -18   -2   28 o  184.322   14.262  436.933   65.133  274.400  155.333  471.607   71.745  132.774   41.902  191.185   15.152 -58.41098 44.55746 
1 1 1  -18   -2   29 o   83.826   20.291   96.145   42.019   0.0000   0.0000   96.145   42.019  ?   ?    83.826   20.291 0.000000 20.29121 
1 1 1  -18   -2   30 o  300.578   14.758  1166.75  110.776  1389.18  233.271  1101.99  125.875  310.792   30.448  289.744   17.479 21.04803 35.10801 
1 1 1  -18   -2   31 o  129.500   15.830  221.418   50.127  328.508  163.293  210.277   52.671  137.599   42.891  125.531   17.259 12.06805 46.23356 
1 1 1  -18   -2   32 o   93.115   17.508  117.818   39.215  305.458  166.564  106.807   40.350  129.990   43.561   88.012   18.922 41.97784 47.49294 
1 1 1  -18   -2   33 o  245.224   29.529  895.060  177.190   0.0000   0.0000  895.060  177.190  ?   ?   245.224   29.529 0.000000 29.52872 
1 1 1  -18   -2   34 o   82.653   32.325   93.594   96.773   0.0000   0.0000   93.594   96.773  ?   ?    82.653   32.325 0.000000 32.32489 
1 1 1  -18   -2   35 o  137.409   33.594  313.409  114.308   0.0000   0.0000  313.409  114.308  ?   ?   137.409   33.594 0.000000 33.59401 
1 1 1  -18   -2   36 o   97.008   33.942  163.855  101.396   0.0000   0.0000  163.855  101.396  ?   ?    97.008   33.942 0.000000 33.94197 
1 1 1  -18   -1    1 f  227.401   10.348  648.459   58.760  600.223   81.817  699.842   84.444  217.735   15.142  235.328   14.439 -17.59346 20.92290 
1 1 1  -18   -1    2 o  484.571   16.094  2962.46  194.745  2872.36  274.628  3053.59  276.201  474.517   23.176  489.514   22.595 -14.99780 32.36765 
1 1 1  -18   -1    3 f  173.702   9.8092  379.386   42.375  382.291   58.725  376.231   61.205  173.803   13.640  172.288   14.357 1.515442 19.80326 
1 1 1  -18   -1    4 o  379.973   13.009  1815.10  123.434  1790.81  173.879  1839.79  175.253  376.106   18.513  381.245   18.408 -5.138733 26.10767 
1 1 1  -18   -1    5 o  380.041   13.243  1816.30  125.678  1790.76  177.185  1842.17  178.291  375.500   18.957  381.383   18.721 -5.882202 26.64259 
1 1 1  -18   -1    6 o  163.925   9.8305  338.050   40.056  312.393   55.546  365.848   57.817  156.873   14.338  169.971   13.739 -13.09778 19.85780 
1 1 1  -18   -1    7 o  217.172   10.041  591.365   54.453  577.626   76.267  605.652   77.772  213.694   14.376  218.852   14.309 -5.157516 20.28337 
1 1 1  -18   -1    8 o  234.622   16.354  698.359   95.216  964.028  130.273  393.666  139.513  275.121   19.080  170.798   33.906 104.3231 38.90573 
1 1 1  -18   -1    9 o  165.804   14.410  348.853   59.072  369.004   75.751  317.584   94.362  169.789   18.147  155.570   25.148 14.21980 31.01162 
1 1 1  -18   -1   10 o  258.755   11.594  840.898   74.913  923.677  106.131  758.704  105.756  270.070   15.806  244.287   17.451 25.78299 23.54473 
1 1 1  -18   -1   11 o  179.908   9.8160  407.055   43.933  416.126   61.708  397.731   62.562  181.294   13.732  177.121   14.266 4.173126 19.80101 
1 1 1  -18   -1   12 o  400.002   13.708  2014.72  136.925  2087.97  194.017  1942.04  193.268  405.585   19.156  390.431   19.889 15.15402 27.61372 
1 1 1  -18   -1   13 o  426.576   14.807  2294.92  157.734  2443.95  223.380  2146.72  222.761  438.245   20.412  409.629   21.856 28.61667 29.90507 
1 1 1  -18   -1   14 o  297.628   11.816  1113.25   87.819  1162.25  124.327  1064.45  124.062  302.744   16.508  289.484   17.240 13.26025 23.86864 
1 1 1  -18   -1   15 o  485.648   15.654  2979.09  189.840  3066.43  268.839  2892.23  268.111  489.991   21.971  475.573   22.576 14.41821 31.50250 
1 1 1  -18   -1   16 o  330.720   12.421  1375.80  102.577  1325.72  144.977  1426.01  145.156  322.844   18.055  335.081   17.407 -12.23691 25.07993 
1 1 1  -18   -1   17 o  265.378   15.728  893.000  103.764  1037.69  162.076  792.500  135.075  283.738   23.074  248.090   22.032 35.64836 31.90366 
1 1 1  -18   -1   18 o  171.978   15.290  376.459   64.980  379.862  112.216  374.743   79.702  169.321   27.482  170.703   19.021 -1.381210 33.42206 
1 1 1  -18   -1   19 o  240.906   13.297  733.401   79.686  829.586  152.963  697.575   93.354  252.789   24.541  234.285   16.053 18.50340 29.32487 
1 1 1  -18   -1   20 o  286.597   13.500  1035.54   96.621  1162.68  182.446  985.985  113.905  299.438   24.617  278.543   16.449 20.89581 29.60690 
1 1 1  -18   -1   21 o  211.176   13.290  564.410   69.725  599.997  143.157  553.343   79.835  213.251   27.525  208.596   15.436 4.654526 31.55778 
1 1 1  -18   -1   22 o  431.417   16.913  2362.55  182.207  2588.03  329.845  2263.53  218.584  442.973   29.995  420.511   20.816 22.46213 36.51011 
1 1 1  -18   -1   23 f  180.844   13.617  415.305   61.042  464.078  144.657  404.739   67.330  184.570   32.576  178.128   15.284 6.442749 35.98378 
1 1 1  -18   -1   24 o   98.549   33.181  125.441   96.649   0.0000   0.0000  125.441   96.649  ?   ?    98.549   33.181 0.000000 33.18139 
1 1 1  -18   -1   25 o  163.346   14.492  340.937   58.500  313.230  141.973  346.603   64.203  147.754   38.198  164.350   15.840 -16.59514 41.35188 
1 1 1  -18   -1   26 o  332.656   15.270  1409.24  126.850  1411.61  242.585  1408.34  148.818  322.583   30.475  330.804   18.083 -8.221466 35.43662 
1 1 1  -18   -1   27 o   84.414   18.406   95.234   37.705   2.5780  129.013  103.887   39.426   79.001   34.520   88.221   18.488 -9.220032 39.15939 
1 1 1  -18   -1   28 o  211.264   14.054  571.901   73.722  641.799  171.817  556.129   81.616  212.149   33.548  207.594   15.864 4.554855 37.10951 
1 1 1  -18   -1   29 o   69.214   19.913   64.471   36.266  135.895  136.263   59.026   37.623  101.645   38.721   66.721   20.553 34.92421 43.83788 
1 1 1  -18   -1   30 o  159.595   14.906  330.946   58.718  353.500  159.524  327.411   63.151  147.465   41.544  158.176   16.217 -10.71101 44.59734 
1 1 1  -18   -1   31 o  159.875   14.704  333.030   58.047  438.952  172.109  319.435   61.660  162.174   42.121  155.930   16.065 6.244278 45.08082 
1 1 1  -18   -1   32 o  205.797   14.361  551.186   73.339  551.728  193.505  551.095   79.251  178.531   43.746  205.042   15.595 -26.51068 46.44287 
1 1 1  -18   -1   33 o  105.554   17.357  150.607   44.160  206.233  167.762  146.465   45.774  110.069   42.695  103.613   18.363 6.456116 46.47676 
1 1 1  -18   -1   34 o   93.107   32.958  133.588   95.811   0.0000   0.0000  133.588   95.811  ?   ?    93.107   32.958 0.000000 32.95841 
1 1 1  -18   -1   35 o  254.243   29.986  988.209  186.719   0.0000   0.0000  988.209  186.719  ?   ?   254.243   29.986 0.000000 29.98639 
1 1 1  -18   -1   36 o   85.947   32.952  114.669   99.082   0.0000   0.0000  114.669   99.082  ?   ?    85.947   32.952 0.000000 32.95214 
1 1 1  -18   -1   37 f   64.435   28.395   21.416   88.954   0.0000   0.0000   21.416   88.954  ?   ?    64.435   28.395 0.000000 28.39502 
1 1 1  -18    0    1 o  237.833   10.599  709.513   62.950  668.928   87.724  752.597   90.384  229.851   15.372  243.958   14.908 -14.10693 21.41365 
1 1 1  -18    0    2 f  383.511   13.592  1850.30  130.171  1833.04  183.301  1867.87  184.889  379.776   19.393  383.382   19.375 -3.606018 27.41282 
1 1 1  -18    0    3 o  256.515   11.045  825.664   70.749  850.818   99.083  799.498  101.054  259.351   15.367  251.198   16.196 8.152481 22.32647 
1 1 1  -18    0    4 o  483.600   16.336  2951.96  197.284  2896.87  278.343  3007.58  279.664  476.367   23.399  485.534   23.066 -9.167053 32.85594 
1 1 1  -18    0    5 o  260.261   11.119  850.046   72.268  860.795  101.473  838.981  102.947  260.801   15.653  257.362   16.099 3.438293 22.45463 
1 1 1  -18    0    6 o  482.262   15.590  2933.19  187.744  2819.73  264.818  3047.83  266.209  470.290   22.549  489.277   21.788 -18.98730 31.35573 
1 1 1  -18    0    7 o  375.662   13.382  1775.23  125.536  1813.52  177.410  1736.84  177.661  378.331   18.778  369.613   19.315 8.717865 26.93901 
1 1 1  -18    0    8 o  338.964   17.841  1457.75  150.486  1424.20  206.985  1495.38  219.175  332.457   25.117  340.338   25.985 -7.881714 36.13994 
1 1 1  -18    0    9 o  213.623   15.209  578.255   80.603  645.352  107.325  491.452  122.072  224.770   19.309  194.088   25.828 30.68161 32.24731 
1 1 1  -18    0   10 o  187.404   10.423  441.923   48.585  469.187   68.376  414.121   69.048  192.474   14.329  180.541   15.464 11.93285 21.08223 
1 1 1  -18    0   11 o  290.266   11.877  1058.54   86.089  1154.13  121.765  963.007  121.732  301.865   16.213  275.250   17.806 26.61499 24.08102 
1 1 1  -18    0   12 o  527.304   17.432  3518.94  229.539  3624.05  324.659  3413.88  324.574  531.680   24.453  515.611   25.208 16.06885 35.11961 
1 1 1  -18    0   13 o  358.588   12.714  1617.31  113.849  1630.73  160.899  1603.86  161.114  358.318   18.040  355.286   18.221 3.031586 25.64034 
1 1 1  -18    0   14 o  172.749   9.6743  375.377   41.566  397.157   59.043  353.977   58.527  177.113   13.450  167.019   14.166 10.09326 19.53417 
1 1 1  -18    0   15 o  387.763   13.772  1894.07  133.352  1907.82  188.438  1880.28  188.739  386.969   19.564  384.089   19.745 2.879608 27.79559 
1 1 1  -18    0   16 o  225.138   11.085  636.570   62.324  634.987   87.935  638.168   88.345  223.642   15.848  224.196   15.883 -0.5540619 22.43715 
1 1 1  -18    0   17 o  300.802   13.437  1139.61  100.935  1190.19  181.962  1117.13  121.308  303.593   24.203  296.749   16.434 6.843628 29.25488 
1 1 1  -18    0   18 o  144.924   15.342  268.142   54.678  348.655  103.937  237.333   64.294  162.419   26.543  135.273   19.605 27.14619 32.99809 
1 1 1  -18    0   19 o  241.943   13.100  739.325   78.854  812.966  151.987  712.202   92.239  250.257   24.640  236.862   15.683 13.39502 29.20764 
1 1 1  -18    0   20 o  163.290   13.150  338.034   53.168  480.003  117.608  301.566   59.607  191.442   25.214  153.645   15.759 37.79759 29.73375 
1 1 1  -18    0   21 o  231.171   13.727  676.337   78.887  698.650  154.322  668.444   91.785  230.527   27.340  229.227   16.138 1.299896 31.74765 
1 1 1  -18    0   22 o   62.307   19.612   49.061   34.048   0.0000   0.0000   49.061   34.048  ?   ?    62.307   19.612 0.000000 19.61212 
1 1 1  -18    0   23 o  147.653   35.067  302.711  127.377  302.711  127.377   0.0000   0.0000  147.653   35.067  ?   ?  0.000000 35.06727 
1 1 1  -18    0   24 o  171.710   14.452  375.651   61.395  275.547  139.319  399.776   68.394  139.552   38.652  176.879   15.646 -37.32645 41.69837 
1 1 1  -18    0   25 o   71.569   29.837   22.813   88.590   0.0000   0.0000   22.813   88.590  ?   ?    71.569   29.837 0.000000 29.83711 
1 1 1  -18    0   26 o  148.593   14.891  283.261   54.512  305.714  139.646  279.225   59.209  145.535   38.010  147.105   16.397 -1.570389 41.39622 
1 1 1  -18    0   27 o  263.889   14.474  888.711   95.016  876.232  194.735  892.610  108.853  252.174   31.619  263.568   16.624 -11.39339 35.72258 
1 1 1  -18    0   28 o  105.679   17.283  147.164   44.032  270.694  140.045  133.613   46.385  134.428   39.263   99.991   19.275 34.43643 43.73903 
1 1 1  -18    0   29 o  197.478   13.492  499.718   66.135  639.631  165.963  473.306   72.107  211.857   32.400  191.505   15.203 20.35226 35.78959 
1 1 1  -18    0   30 o   76.639   20.061   80.184   38.842  103.123  140.704   78.291   40.412   95.309   38.415   75.704   20.756 19.60548 43.66439 
1 1 1  -18    0   31 o  152.202   15.162  302.227   56.859  401.801  166.257  289.039   60.507  156.257   41.794  148.173   16.640 8.084534 44.98471 
1 1 1  -18    0   32 o  115.897   16.527  178.634   46.477  132.285  162.758  182.749   48.496   99.907   40.926  117.004   17.103 -17.09754 44.35585 
1 1 1  -18    0   33 o  131.486   15.610  228.536   50.254  228.730  172.970  228.518   52.519  115.004   43.670  131.115   16.399 -16.11073 46.64730 
1 1 1  -18    0   34 o   49.024   18.187   26.532   29.631  176.930  181.714   22.424   30.033  104.860   43.133   47.392   18.149 57.46830 46.79520 
1 1 1  -18    0   35 o  247.630   29.494  922.932  178.794   0.0000   0.0000  922.932  178.794  ?   ?   247.630   29.494 0.000000 29.49358 
1 1 1  -18    0   36 o  168.257   33.252  458.746  134.759   0.0000   0.0000  458.746  134.759  ?   ?   168.257   33.252 0.000000 33.25160 
1 1 1  -18    0   37 o  127.779   35.039  286.421  115.155   0.0000   0.0000  286.421  115.155  ?   ?   127.779   35.039 0.000000 35.03927 
1 1 1  -18    1    1 o  349.893   12.837  1539.10  112.167  1571.82  158.263  1506.08  158.996  351.972   18.067  344.361   18.558 7.611359 25.90002 
1 1 1  -18    1    2 o  258.346   10.678  837.288   68.888  826.922   96.259  848.170   98.630  255.698   15.143  258.934   15.322 -3.236115 21.54189 
1 1 1  -18    1    3 o  191.489   10.567  461.332   50.332  471.854   70.054  450.105   72.364  193.003   14.644  188.307   15.527 4.696014 21.34361 
1 1 1  -18    1    4 o  473.087   15.965  2823.99  188.613  2815.90  266.348  2832.13  267.133  469.908   22.698  471.260   22.699 -1.351807 32.10081 
1 1 1  -18    1    5 o  162.703   10.161  333.224   41.077  334.104   56.726  332.254   59.561  162.308   14.137  161.713   14.917 0.5945129 20.55174 
1 1 1  -18    1    6 o  277.356   11.586  965.873   80.246  949.056  112.565  983.253  114.429  273.656   16.550  278.567   16.523 -4.910614 23.38635 
1 1 1  -18    1    7 o  292.597   17.609  1086.64  128.066  1350.80  176.823  795.183  185.732  324.959   21.918  245.771   30.949 79.18735 37.92406 
1 1 1  -18    1    8 o  174.832   14.776  387.848   63.908  422.980   82.315  334.538  101.399  181.872   18.376  159.422   26.394 22.45036 32.16092 
1 1 1  -18    1    9 o  115.173   14.733  169.807   41.403  135.197   49.224  253.515   76.552  101.472   20.137  139.258   22.803 -37.78605 30.42141 
1 1 1  -18    1   10 o  236.288   11.345  701.007   66.942  740.879   94.225  660.375   95.121  241.812   15.689  227.982   16.827 13.82913 23.00620 
1 1 1  -18    1   11 o  491.016   16.497  3046.34  202.276  3152.62  285.951  2939.89  286.172  496.718   23.053  479.251   23.912 17.46677 33.21490 
1 1 1  -18    1   12 o  243.519   11.314  744.659   68.801  792.038   97.028  696.745   97.574  250.035   15.618  234.178   16.797 15.85669 22.93598 
1 1 1  -18    1   13 o  243.701   10.697  745.374   65.099  731.148   91.588  759.899   92.548  240.238   15.347  244.965   15.204 -4.727188 21.60299 
1 1 1  -18    1   14 o  181.631   10.736  415.507   48.476  442.372   68.306  388.245   68.808  186.731   14.769  174.618   15.956 12.11205 21.74214 
1 1 1  -18    1   15 o  304.338   11.785  1163.93   89.568  1184.43  126.498  1143.31  126.838  305.602   16.639  300.135   16.993 5.466431 23.78243 
1 1 1  -18    1   16 o  224.348   10.900  631.952   61.066  659.260   86.231  604.479   86.490  228.050   15.230  218.158   15.988 9.892563 22.08031 
1 1 1  -18    1   17 o  236.239   10.955  700.818   64.625  783.818   91.749  619.094   91.041  248.819   14.834  220.615   16.648 28.20320 22.29778 
1 1 1  -18    1   18 o  245.340   15.753  763.638   96.005  822.850  150.884  723.359  124.446  252.063   24.271  237.221   21.232 14.84206 32.24720 
1 1 1  -18    1   19 o  169.812   10.922  363.655   46.070  350.038   65.175  377.255   65.131  165.652   15.953  172.164   15.309 -6.512527 22.11019 
1 1 1  -18    1   20 o  125.008   14.283  199.634   43.786  239.805  104.819  191.143   48.192  132.639   32.012  121.878   16.238 10.76054 35.89480 
1 1 1  -18    1   21 o  154.723   14.339  304.653   54.772  272.675  120.399  312.998   61.505  140.759   34.517  156.497   15.962 -15.73769 38.02879 
1 1 1  -18    1   22 o  182.967   20.341  432.385   91.366  344.679  133.614  509.412  125.216  158.241   34.763  196.799   26.125 -38.55820 43.48530 
1 1 1  -18    1   23 o  171.130   13.935  372.150   59.034  380.596  131.433  370.015   66.074  167.022   32.683  170.233   15.721 -3.211105 36.26699 
1 1 1  -18    1   24 o  264.630   13.934  887.368   91.756  857.067  179.815  898.035  106.692  254.088   28.851  265.553   16.166 -11.46555 33.07130 
1 1 1  -18    1   25 o  218.650   27.180  635.133  145.204   0.0000   0.0000  635.133  145.204  ?   ?   218.650   27.180 0.000000 27.18022 
1 1 1  -18    1   26 o  130.713   26.922  232.351   84.951  367.834  138.218  150.104  107.692  161.495   35.262  105.758   35.015 55.73713 49.69310 
1 1 1  -18    1   27 o  234.194   14.466  699.811   84.185  681.509  179.824  704.948   95.269  221.228   33.608  234.352   16.382 -13.12494 37.38805 
1 1 1  -18    1   28 o  124.345   16.265  201.185   49.294   75.523  142.020  218.398   52.562   93.413   38.244  129.517   16.636 -36.10337 41.70538 
1 1 1  -18    1   29 o   81.923   18.618   90.311   37.225  118.335  136.221   88.050   38.697   99.247   38.480   80.724   19.431 18.52277 43.10732 
1 1 1  -18    1   30 o   97.944   17.570  127.901   41.394  209.710  146.101  120.761   43.162  117.552   40.765   94.673   18.919 22.87907 44.94092 
1 1 1  -18    1   31 o  143.581   16.891  271.412   59.406  447.923  161.985  243.982   63.855  168.829   39.178  134.888   19.525 33.94058 43.77368 
1 1 1  -18    1   32 o   99.828   17.979  134.435   43.171   70.119  156.088  139.762   44.924   90.418   38.732  101.677   18.369 -11.25963 42.86710 
1 1 1  -18    1   33 o  113.445   16.655  171.753   45.778  207.506  172.518  169.045   47.481  112.170   43.356  112.159   17.526 0.1121521E-01 46.76415 
1 1 1  -18    1   34 o   59.735   19.005   47.602   31.906  210.508  176.100   42.073   32.443  111.064   43.558   57.125   19.224 53.93887 47.61215 
1 1 1  -18    1   35 o  177.057   31.391  480.653  133.713   0.0000   0.0000  480.653  133.713  ?   ?   177.057   31.391 0.000000 31.39124 
1 1 1  -18    1   36 o  113.536   35.852  220.483  113.705   0.0000   0.0000  220.483  113.705  ?   ?   113.536   35.852 0.000000 35.85249 
1 1 1  -18    1   37 o   94.819   34.964  151.743  109.179   0.0000   0.0000  151.743  109.179  ?   ?    94.819   34.964 0.000000 34.96366 
1 1 1  -18    2    1 o  174.377   10.210  382.642   44.264  418.140   61.347  344.090   63.931  181.785   13.613  164.407   15.765 17.37788 20.82905 
1 1 1  -18    2    2 o  359.940   13.083  1629.36  117.599  1687.65  165.664  1570.16  166.964  365.104   18.170  351.419   19.098 13.68423 26.36056 
1 1 1  -18    2    3 o  313.794   12.173  1237.13   95.386  1253.36  134.047  1220.48  135.762  314.440   17.136  310.148   17.602 4.292572 24.56539 
1 1 1  -18    2    4 o  377.581   13.583  1793.90  128.073  1814.12  180.447  1773.38  181.807  377.794   19.190  373.386   19.567 4.407898 27.40627 
1 1 1  -18    2    5 o  157.415   11.671  312.846   45.550  330.651   71.885  300.902   58.879  160.622   18.246  153.697   15.555 6.924789 23.97607 
1 1 1  -18    2    6 o  370.055   18.146  1733.60  167.686  1546.60  230.772  1942.78  244.076  345.740   26.942  388.489   25.297 -42.74866 36.95672 
1 1 1  -18    2    7 o  149.458   14.050  283.656   51.823  235.382   63.714  378.027   89.082  134.900   19.478  171.120   21.308 -36.21974 28.86907 
1 1 1  -18    2    8 o  138.478   14.893  244.405   50.692  259.393   62.776  216.314   85.941  142.046   18.110  127.213   27.827 14.83236 33.20108 
1 1 1  -18    2    9 o  273.774   10.666  940.438   72.918  881.575  101.782  1002.51  104.516  263.909   15.512  281.626   14.914 -17.71671 21.51926 
1 1 1  -18    2   10 f  197.724   9.8316  490.186   48.544  484.656   67.731  496.027   69.609  195.708   13.950  197.958   14.175 -2.250565 19.88829 
1 1 1  -18    2   11 o  346.862   13.178  1513.70  114.148  1499.43  160.814  1528.20  162.052  343.379   18.826  346.680   18.789 -3.300781 26.59778 
1 1 1  -18    2   12 o   57.208   15.212   42.733   22.107   39.417   29.447   47.017   33.466   56.569   18.286   61.327   19.460 -4.758011 26.70305 
1 1 1  -18    2   13 o   67.162   14.721   59.056   24.009   73.525   32.512   41.703   35.605   74.740   17.694   59.367   20.139 15.37284 26.80756 
1 1 1  -18    2   14 o  306.060   11.491  1176.64   87.825  1137.68  123.438  1216.58  124.982  299.544   16.566  309.887   16.207 -10.34253 23.17575 
1 1 1  -18    2   15 o  217.409   11.159  595.091   60.377  669.647   85.422  520.660   85.350  229.929   14.959  202.160   17.066 27.76997 22.69398 
1 1 1  -18    2   16 o  316.416   11.809  1258.22   93.310  1265.25  131.956  1251.19  131.963  315.828   16.792  314.034   16.890 1.793884 23.81637 
1 1 1  -18    2   17 o  205.943   11.028  534.105   56.509  548.309   79.264  519.424   80.585  207.846   15.381  202.108   16.100 5.737457 22.26635 
1 1 1  -18    2   18 o  254.008   15.484  817.816   97.745  968.370  154.263  716.823  126.345  274.225   22.732  236.020   21.679 38.20506 31.41213 
1 1 1  -18    2   19 o  101.183   17.603  133.364   42.862  152.875   93.142  128.123   48.277  107.123   32.207   98.577   20.288 8.546104 38.06453 
1 1 1  -18    2   20 o  193.454   11.038  471.660   53.104  520.437   75.309  423.419   74.895  202.476   15.001  182.151   16.649 20.32423 22.41052 
1 1 1  -18    2   21 o  195.468   15.685  486.160   75.916   0.0000   0.0000  486.160   75.916  ?   ?   195.468   15.685 0.000000 15.68493 
1 1 1  -18    2   22 o  185.914   15.665  440.266   72.050  556.682  132.859  391.764   85.756  205.794   26.466  174.166   20.086 31.62762 33.22485 
1 1 1  -18    2   23 o   81.889   18.791   88.716   37.611   40.983  106.485   95.519   40.202   81.180   33.161   84.926   19.384 -3.746124 38.41108 
1 1 1  -18    2   24 o  333.399   14.556  1405.79  121.183  1601.39  228.066  1328.84  143.048  349.971   26.288  322.659   17.823 27.31183 31.76043 
1 1 1  -18    2   25 o   96.556   17.558  122.261   40.776   70.076  122.143  128.806   43.258   90.358   36.008   99.025   18.162 -8.667061 40.32960 
1 1 1  -18    2   26 o  235.578   28.033  741.429  161.676   0.0000   0.0000  741.429  161.676  ?   ?   235.578   28.033 0.000000 28.03331 
1 1 1  -18    2   27 o  181.154   14.127  418.964   63.402  472.496  149.802  407.283   69.978  183.730   33.899  178.074   15.904 5.656769 37.44444 
1 1 1  -18    2   28 o  236.531   14.164  714.226   83.277  704.577  179.292  716.880   94.036  224.642   32.939  236.247   16.034 -11.60471 36.63490 
1 1 1  -18    2   29 o  162.085   14.568  338.047   58.335  420.216  152.527  323.969   63.135  168.810   37.187  158.089   16.222 10.72099 40.57096 
1 1 1  -18    2   30 o  166.981   13.883  358.692   57.367  759.600  165.786  304.160   61.144  233.552   29.054  152.821   16.272 80.73080 33.30039 
1 1 1  -18    2   31 o  190.847   17.388  477.472   81.960  509.270  179.481  469.094   92.126  179.509   40.945  187.765   19.954 -8.256378 45.54845 
1 1 1  -18    2   32 o  177.401   14.128  407.619   62.070  433.188  175.475  403.962   66.360  161.205   42.853  176.085   15.242 -14.88046 45.48299 
1 1 1  -18    2   33 f  153.970   15.211  310.505   57.720  413.883  182.245  298.980   60.852  153.233   44.799  150.468   16.464 2.764969 47.72855 
1 1 1  -18    2   34 o   43.969   17.418   15.675   28.422  187.025  172.473   10.892   28.816  107.975   42.864   42.291   17.260 65.68356 46.20887 
1 1 1  -18    2   35 o   92.281   18.078  116.698   40.169  165.482  191.268  114.447   41.085  103.710   43.581   91.114   18.684 12.59611 47.41710 
1 1 1  -18    2   36 o  136.942   35.956  313.490  124.529   0.0000   0.0000  313.490  124.529  ?   ?   136.942   35.956 0.000000 35.95610 
1 1 1  -18    2   37 o   76.567   32.264   62.396  105.297   0.0000   0.0000   62.396  105.297  ?   ?    76.567   32.264 0.000000 32.26359 
1 1 1  -18    2   38 o  161.089   35.244  445.703  137.832   0.0000   0.0000  445.703  137.832  ?   ?   161.089   35.244 0.000000 35.24356 
1 1 1  -18    3    1 o  173.176   14.852  380.752   63.605  399.787   81.549  351.186  101.633  176.634   18.776  163.555   25.734 13.07930 31.85588 
1 1 1  -18    3    2 o  187.712   14.431  446.464   67.126  399.465   85.484  522.052  108.409  176.338   19.752  201.278   21.923 -24.94003 29.50870 
1 1 1  -18    3    3 o  421.395   21.284  2265.84  223.242  2416.15  311.510  2107.14  320.089  431.227   29.098  400.800   32.254 30.42758 43.43980 
1 1 1  -18    3    4 o  157.852   15.563  317.292   60.548  417.742   77.810  163.102   96.402  180.932   17.437  110.678   32.647 70.25400 37.01199 
1 1 1  -18    3    5 o  280.511   17.092  998.310  119.158  1157.80  163.028  815.386  174.596  300.704   21.860  249.793   28.500 50.91174 35.91845 
1 1 1  -18    3    6 o  265.976   15.927  895.987  105.300  887.532  142.131  906.274  156.779  263.090   21.831  265.178   23.933 -2.088654 32.39449 
1 1 1  -18    3    7 o  332.527   17.625  1402.81  145.830  1349.12  199.715  1464.13  213.438  323.543   24.910  336.848   25.564 -13.30569 35.69418 
1 1 1  -18    3    8 o  246.600   11.096  763.331   68.332  728.944   95.187  799.895   98.154  239.786   15.988  251.294   15.720 -11.50806 22.42219 
1 1 1  -18    3    9 o  231.356   10.957  671.807   63.305  670.385   88.368  673.307   90.731  230.015   15.475  230.432   15.864 -0.4167328 22.16163 
1 1 1  -18    3   10 o  156.769   10.921  309.938   42.488  351.354   59.101  265.636   61.125  166.397   14.364  143.913   17.359 22.48427 22.53133 
1 1 1  -18    3   11 o  270.210   11.309  916.797   76.309  916.916  107.130  916.674  108.722  269.008   16.020  268.912   16.267 0.9585571E-01 22.83111 
1 1 1  -18    3   12 o  127.589   10.444  205.592   32.984  204.296   45.409  207.039   47.990  126.489   14.647  127.196   15.424 -0.7063751 21.27074 
1 1 1  -18    3   13 o  112.674   11.084  160.903   30.782  165.066   42.259  156.198   44.927  113.387   15.317  109.914   16.910 3.472221 22.81581 
1 1 1  -18    3   14 o  317.363   12.069  1265.93   95.648  1261.66  134.653  1270.27  135.890  315.318   17.165  316.366   17.266 -1.048370 24.34680 
1 1 1  -18    3   15 f  113.744   11.369  164.092   31.859  171.518   43.989  155.898   46.203  115.539   15.649  109.675   17.455 5.863670 23.44274 
1 1 1  -18    3   16 o  212.495   10.696  568.202   56.575  595.317   79.834  540.846   80.187  216.756   14.838  206.375   15.677 10.38103 21.58553 
1 1 1  -18    3   17 o  177.136   10.479  395.158   46.147  404.914   64.693  385.052   65.847  178.603   14.634  174.001   15.310 4.601868 21.17868 
1 1 1  -18    3   18 o  175.393   15.106  391.070   65.515  473.810  111.888  347.900   80.819  190.811   24.014  164.182   20.134 26.62874 31.33755 
1 1 1  -18    3   19 o   98.737   19.577  128.159   46.564   78.769   94.845  143.844   53.450   86.886   32.478  104.394   21.226 -17.50757 38.79951 
1 1 1  -18    3   20 o  175.573   13.550  390.676   58.950  449.199  123.128  373.272   67.146  184.401   27.586  171.115   15.895 13.28598 31.83832 
1 1 1  -18    3   21 o  178.463   16.682  406.730   73.484  406.730   73.484   0.0000   0.0000  178.463   16.682  ?   ?  0.000000 16.68245 
1 1 1  -18    3   22 o  152.870   13.395  296.772   50.620  426.888  118.906  267.971   55.943  179.543   27.388  144.726   15.733 34.81738 31.58487 
1 1 1  -18    3   23 o  151.793   14.309  293.473   53.598  366.558  121.998  275.992   59.665  164.725   30.790  146.658   16.583 18.06696 34.97171 
1 1 1  -18    3   24 o  394.345   16.254  1972.30  160.060  2099.33  291.739  1917.60  191.447  398.888   29.497  386.878   19.884 12.00998 35.57315 
1 1 1  -18    3   25 o  298.080   15.835  1130.42  117.447  1032.16  221.161  1169.02  138.606  276.619   32.646  302.142   18.459 -25.52344 37.50307 
1 1 1  -18    3   26 o  282.662   27.856  1061.32  194.068   0.0000   0.0000  1061.32  194.068  ?   ?   282.662   27.856 0.000000 27.85601 
1 1 1  -18    3   27 o  363.169   21.774  1715.17  196.556  1678.67  288.574  1746.76  268.459  350.063   33.417  360.079   30.133 -10.01605 44.99651 
1 1 1  -18    3   28 o  320.858   14.735  1310.93  118.063  1360.32  229.214  1293.10  137.740  316.840   29.302  316.982   17.469 -0.1419983 34.11388 
1 1 1  -18    3   29 o  110.243   16.736  159.351   44.627  175.198  136.742  157.462   47.212  111.926   39.400  109.204   17.935 2.721710 43.29052 
1 1 1  -18    3   30 o  200.385   14.211  515.715   70.651  565.130  175.660  506.178   77.168  195.238   37.391  197.892   15.746 -2.654129 40.57121 
1 1 1  -18    3   31 o  227.806   14.507  668.789   82.095  807.523  196.141  639.323   90.393  234.899   34.462  221.734   16.442 13.16534 38.18386 
1 1 1  -18    3   32 o   57.075   19.988   39.517   35.166   18.313  162.467   40.559   36.019   85.626   38.021   57.759   20.229 27.86711 43.06712 
1 1 1  -18    3   33 o  141.705   15.807  263.980   54.981  281.289  181.044  262.221   57.707  127.052   45.270  140.806   16.740 -13.75401 48.26577 
1 1 1  -18    3   34 o   76.205   19.458   80.322   37.156  190.745  176.993   75.231   38.003  109.402   43.425   73.693   20.097 35.70985 47.84980 
1 1 1  -18    3   35 o   45.402   17.717   18.592   29.022 -39.2651  183.977   20.068   29.390   80.646   37.547   46.190   17.883 34.45666 41.58843 
1 1 1  -18    3   36 o  123.799   17.464  207.169   52.490  127.090  205.363  212.766   54.293   98.623   43.312  125.274   17.861 -26.65114 46.84988 
1 1 1  -18    3   37 o   66.792   29.640   10.244   98.589   0.0000   0.0000   10.244   98.589  ?   ?    66.792   29.640 0.000000 29.63958 
1 1 1  -18    3   38 o   77.474   32.868   67.145  110.478   0.0000   0.0000   67.145  110.478  ?   ?    77.474   32.868 0.000000 32.86822 
1 1 1  -18    4    1 o  117.932   15.615  178.510   44.855  152.525   53.477  240.175   82.382  107.786   20.619  134.705   25.422 -26.91888 32.73316 
1 1 1  -18    4    2 o  162.186   14.886  334.375   59.617  344.141   75.447  318.142   97.272  163.715   18.795  155.396   25.984 8.318527 32.06949 
1 1 1  -18    4    3 o  124.075   15.844  197.388   47.970  214.809   58.501  161.634   83.807  128.892   18.723  109.794   29.803 19.09776 35.19625 
1 1 1  -18    4    4 o  349.154   18.550  1549.30  161.159  1578.90  222.092  1516.39  234.217  349.745   25.607  341.781   27.680 7.964203 37.70821 
1 1 1  -18    4    5 o  126.655   15.545  205.344   48.135  211.050   58.651  193.570   84.245  127.688   18.971  120.087   28.518 7.600632 34.25099 
1 1 1  -18    4    6 o  263.394   12.909  872.543   84.909  826.722  101.472  979.555  155.071  255.409   15.990  276.135   22.689 -20.72542 27.75748 
1 1 1  -18    4    7 o  300.030   12.257  1131.34   91.833  1172.16  129.024  1089.44  130.735  304.003   17.065  292.798   17.967 11.20474 24.77942 
1 1 1  -18    4    8 o  240.111   10.624  723.417   63.699  732.718   88.963  713.633   91.250  240.634   14.878  237.337   15.481 3.296783 21.47114 
1 1 1  -18    4    9 f  157.896   10.367  314.090   40.649  329.757   55.960  296.588   59.145  161.219   14.040  152.505   15.758 8.713654 21.10515 
1 1 1  -18    4   10 o  190.706   10.234  457.497   48.561  464.426   67.323  449.983   70.113  191.501   14.179  188.317   15.035 3.183334 20.66589 
1 1 1  -18    4   11 o  136.212   11.147  234.475   37.583  240.259   51.638  227.960   54.803  137.173   15.337  133.263   16.844 3.909531 22.78063 
1 1 1  -18    4   12 o  143.702   10.455  260.455   37.259  239.680   51.190  283.860   54.335  137.022   15.218  149.343   14.763 -12.32071 21.20181 
1 1 1  -18    4   13 o  101.610   11.426  131.283   28.491   85.284   38.262  188.527   42.683   80.392   19.303  121.493   14.345 -41.10099 24.04966 
1 1 1  -18    4   14 o  288.552   11.418  1045.80   82.277  1021.56  115.551  1070.73  117.182  283.848   16.371  290.662   16.209 -6.814514 23.03801 
1 1 1  -18    4   15 o  176.686   10.294  393.000   45.224  381.390   62.909  405.418   65.059  173.313   14.673  178.718   14.708 -5.405197 20.77587 
1 1 1  -18    4   16 o  139.613   10.957  246.214   37.894  257.258   52.486  234.189   54.769  142.028   15.027  135.120   16.579 6.908203 22.37587 
1 1 1  -18    4   17 o  172.783   10.688  376.168   45.888  384.584   64.178  367.365   65.638  173.975   14.917  169.857   15.651 4.117371 21.62071 
1 1 1  -18    4   18 o  138.442   16.162  245.450   54.823  248.213  100.730  244.288   65.350  135.527   30.500  137.312   19.616 -1.785172 36.26337 
1 1 1  -18    4   19 o  330.513   17.915  1389.14  147.309  1481.39  220.140  1314.33  198.231  337.882   26.298  318.688   25.112 19.19492 36.36214 
1 1 1  -18    4   20 o  133.464   12.102  225.830   39.897  193.195   58.387  254.415   54.645  121.709   19.898  141.025   15.788 -19.31604 25.40055 
1 1 1  -18    4   21 o  126.447   11.424  202.575   35.683  198.210   48.168  207.884   53.123  124.222   15.892  126.972   17.197 -2.749802 23.41530 
1 1 1  -18    4   22 o  113.514   12.327  164.043   34.381  178.331   47.885  148.841   49.393  117.502   16.797  106.589   19.266 10.91319 25.56021 
1 1 1  -18    4   23 o  213.378   13.948  576.987   73.913  492.233  146.479  605.939   85.611  191.132   31.807  218.238   15.816 -27.10565 35.52277 
1 1 1  -18    4   24 o  478.445   18.540  2916.03  221.505  3130.76  395.691  2818.03  267.313  484.630   32.891  467.916   22.877 16.71362 40.06458 
1 1 1  -18    4   25 o  128.624   16.494  213.383   51.758   52.309  124.988  246.721   56.862   87.855   35.912  138.373   16.800 -50.51834 39.64769 
1 1 1  -18    4   26 o   81.764   19.882   89.099   40.202  -0.9539  123.611   99.751   42.513   78.270   34.002   86.508   20.068 -8.237778 39.48210 
1 1 1  -18    4   27 o  267.677   28.486  960.163  187.487   0.0000   0.0000  960.163  187.487  ?   ?   267.677   28.486 0.000000 28.48619 
1 1 1  -18    4   28 o  112.030   16.417  163.580   44.566  382.429  137.664  137.958   47.103  164.021   34.693  101.930   19.210 62.09149 39.65675 
1 1 1  -18    4   29 o  273.316   14.914  956.225  101.410  1011.92  209.646  939.213  115.867  270.090   31.685  269.733   17.293 0.3568726 36.09718 
1 1 1  -18    4   30 o  120.530   16.442  190.078   48.196  297.669  153.944  178.387   50.747  138.855   41.329  116.158   18.083 22.69679 45.11173 
1 1 1  -18    4   31 o  179.265   14.499  414.664   64.352  597.030  175.256  386.244   69.185  200.391   36.361  172.252   16.277 28.13922 39.83829 
1 1 1  -18    4   32 o  184.889   14.610  442.601   66.906  636.468  186.457  413.950   71.679  203.632   38.067  177.993   16.308 25.63828 41.41320 
1 1 1  -18    4   33 o  194.526   18.218  501.432   87.468  456.365  195.763  512.673   97.770  161.293   46.224  195.354   20.340 -34.06116 50.50088 
1 1 1  -18    4   34 o  102.759   18.007  142.723   44.523   84.541  174.273  146.785   46.051   94.102   40.625  104.084   18.390 -9.981476 44.59388 
1 1 1  -18    4   35 o   93.445   18.663  119.666   42.025  271.335  193.865  112.188   43.049  121.624   46.220   90.001   19.701 31.62379 50.24397 
1 1 1  -18    4   36 o  126.427   16.714  214.163   51.474  282.472  215.444  210.027   53.009  119.918   47.812  124.793   17.491 -4.875145 50.91079 
1 1 1  -18    4   37 o  109.413   37.510  206.789  123.531   0.0000   0.0000  206.789  123.531  ?   ?   109.413   37.510 0.000000 37.50987 
1 1 1  -18    4   38 o   84.031   34.683   95.693  117.997   0.0000   0.0000   95.693  117.997  ?   ?    84.031   34.683 0.000000 34.68322 
1 1 1  -18    5    1 o  146.528   10.156  270.632   36.932  259.572   50.200  283.681   54.529  142.822   14.266  149.261   14.826 -6.438995 20.57479 
1 1 1  -18    5    2 o   97.519   12.034  121.303   28.685  127.038   38.630  114.254   42.828   99.039   16.178   93.255   19.035 5.783875 24.98137 
1 1 1  -18    5    3 o  218.845   10.558  601.019   57.701  671.960   80.249  525.088   83.023  230.548   14.005  203.173   16.507 27.37489 21.64743 
1 1 1  -18    5    4 o  199.549   10.135  500.759   50.339  541.277   69.762  456.744   72.710  206.917   13.576  189.626   15.490 17.29073 20.59771 
1 1 1  -18    5    5 o  121.007   11.228  185.413   33.542  181.834   45.744  189.577   49.331  119.010   15.781  121.366   16.721 -2.355469 22.99207 
1 1 1  -18    5    6 o  212.776   10.815  569.683   57.277  587.972   79.700  550.148   82.371  215.437   14.906  208.133   15.970 7.303436 21.84572 
1 1 1  -18    5    7 o  127.991   10.799  207.044   34.194  206.418   46.619  207.773   50.306  127.090   14.977  127.268   16.196 -0.1776581 22.05928 
1 1 1  -18    5    8 o  236.393   10.906  701.443   64.379  718.260   89.699  683.575   92.456  238.157   15.161  232.115   16.049 6.042114 22.07814 
1 1 1  -18    5    9 o  324.296   12.362  1322.10  100.108  1367.51  140.663  1275.49  142.502  328.340   17.216  316.810   18.087 11.52991 24.97060 
1 1 1  -18    5   10 f  339.798   12.471  1451.73  105.823  1442.34  148.784  1461.35  150.545  337.056   17.739  339.247   17.833 -2.190704 25.15352 
1 1 1  -18    5   11 o  161.844   10.470  330.017   42.090  331.784   58.046  328.059   61.120  161.607   14.539  160.516   15.439 1.091415 21.20694 
1 1 1  -18    5   12 o  328.683   12.139  1357.92   99.637  1279.09  139.551  1439.88  142.305  317.349   17.680  336.983   16.965 -19.63419 24.50258 
1 1 1  -18    5   13 o  178.389   10.330  400.588   45.818  367.748   63.022  437.405   66.730  170.109   14.989  185.729   14.503 -15.62030 20.85670 
1 1 1  -18    5   14 o  198.647   10.994  496.931   54.324  489.745   75.748  504.542   77.952  196.362   15.575  199.277   15.794 -2.915024 22.18211 
1 1 1  -18    5   15 o  231.599   10.917  673.414   63.136  663.026   88.123  684.369   90.500  228.656   15.525  232.286   15.694 -3.629105 22.07552 
1 1 1  -18    5   16 o  100.577   11.892  128.874   29.289  110.173   39.423  151.912   43.757   91.741   17.850  108.387   16.703 -16.64563 24.44651 
1 1 1  -18    5   17 o  102.597   11.962  134.073   30.072  115.129   40.924  156.306   44.335   93.769   18.133  109.977   16.666 -16.20833 24.62835 
1 1 1  -18    5   18 o  277.789   16.204  978.791  111.915  1124.65  171.279  870.123  147.840  295.420   23.409  259.767   23.029 35.65314 32.83803 
1 1 1  -18    5   19 o  461.466   32.313  2805.57  370.016   0.0000   0.0000  2805.57  370.016  ?   ?   461.466   32.313 0.000000 32.31316 
1 1 1  -18    5   20 o   96.710   18.072  122.353   42.040  122.353   42.040   0.0000   0.0000   96.710   18.072  ?   ?  0.000000 18.07209 
1 1 1  -18    5   21 o  138.392   11.533  242.396   39.493  251.564   54.582  232.324   57.215  140.181   15.872  134.288   17.476 5.893158 23.60767 
1 1 1  -18    5   22 f  243.825   11.603  747.574   70.647  789.042   99.822  705.958  100.000  249.180   16.129  235.370   17.131 13.80945 23.52887 
1 1 1  -18    5   23 o  252.449   10.794  800.847   68.045  725.822   95.101  879.544   97.401  238.900   16.034  263.404   14.868 -24.50420 21.86697 
1 1 1  -18    5   24 o  238.742   11.478  717.153   68.430  784.996   97.634  651.645   95.939  248.447   15.819  225.905   17.134 22.54192 23.32012 
1 1 1  -18    5   25 o  164.489   15.069  345.396   61.208  306.426  134.431  355.587   68.747  147.805   36.612  166.493   16.763 -18.68819 40.26680 
1 1 1  -18    5   26 o  234.046   14.000  695.591   81.451  723.740  168.721  687.037   93.007  232.204   29.783  231.956   16.158 0.2478485 33.88396 
1 1 1  -18    5   27 o  266.047   28.094  945.998  183.822   0.0000   0.0000  945.998  183.822  ?   ?   266.047   28.094 0.000000 28.09350 
1 1 1  -18    5   28 o  154.187   26.047  321.364   96.718  174.842  152.163  420.690  125.282  114.499   41.419  175.060   29.721 -60.56033 50.97889 
1 1 1  -18    5   29 o  139.493   16.234  252.315   55.492  213.759  154.029  258.066   59.486  121.659   41.875  140.753   17.288 -19.09392 45.30320 
1 1 1  -18    5   30 o  255.445   14.149  835.271   89.903  1114.70  203.159  767.226  100.254  284.712   28.979  243.672   16.574 41.03914 33.38354 
1 1 1  -18    5   31 o  153.649   15.231  306.090   57.669  468.263  168.975  284.710   61.353  174.612   39.656  147.482   16.968 27.12987 43.13398 
1 1 1  -18    5   32 o  207.343   14.558  555.398   74.901  634.602  192.449  541.259   81.312  202.384   39.497  203.918   16.099 -1.533585 42.65201 
1 1 1  -18    5   33 o  170.253   17.687  383.141   74.098  480.979  188.283  365.211   80.602  168.889   44.149  164.955   19.974 3.933441 48.45712 
1 1 1  -18    5   34 o   79.682   20.578   88.101   41.233 -154.4814  171.352  103.011   42.482   70.062   33.655   86.329   20.084 -16.26672 39.19247 
1 1 1  -18    5   35 o   53.765   19.535   33.570   33.903   5.2479  184.855   34.556   34.488   85.838   39.108   54.368   19.711 31.46989 43.79411 
1 1 1  -18    5   36 o  112.099   17.860  170.270   48.317  364.992  210.381  159.427   49.644  134.599   48.700  107.794   19.144 26.80512 52.32733 
1 1 1  -18    5   37 o   73.204   20.319   75.477   38.459  150.910  218.276   73.061   39.070  101.463   44.603   72.032   20.652 29.43086 49.15255 
1 1 1  -18    5   38 o  101.163   37.551  176.867  126.345   0.0000   0.0000  176.867  126.345  ?   ?   101.163   37.551 0.000000 37.55064 
1 1 1  -18    6    1 o  275.684   10.841  954.279   74.635  888.578  103.602  1025.16  107.612  264.756   15.741  284.582   15.198 -19.82639 21.88035 
1 1 1  -18    6    2 o  221.303   10.509  614.692   58.079  579.623   80.037  653.698   84.409  213.796   15.088  227.135   14.966 -13.33943 21.25137 
1 1 1  -18    6    3 o  234.952   10.485  692.799   61.519  704.605   85.072  679.858   89.069  235.963   14.508  231.547   15.493 4.415314 21.22556 
1 1 1  -18    6    4 o  224.827   10.719  634.493   60.181  725.260   83.711  537.402   86.579  239.514   14.058  205.408   17.033 34.10625 22.08446 
1 1 1  -18    6    5 o  178.728   10.424  402.187   46.323  380.607   63.509  426.720   67.715  173.102   14.835  183.342   14.920 -10.23990 21.04001 
1 1 1  -18    6    6 o  267.720   11.417  900.266   76.331  948.475  106.724  849.781  109.215  273.642   15.683  258.636   17.005 15.00592 23.13293 
1 1 1  -18    6    7 o  136.273   11.036  234.661   37.232  270.942   51.068  193.497   54.397  145.969   14.189  122.253   18.388 23.71576 23.22600 
1 1 1  -18    6    8 o  208.544   10.786  547.338   55.976  589.446   78.316  503.359   80.037  215.744   14.623  198.949   16.252 16.79480 21.86214 
1 1 1  -18    6    9 o  332.114   12.499  1387.01  103.663  1376.41  145.452  1397.94  147.779  329.201   17.759  331.727   17.906 -2.525696 25.21895 
1 1 1  -18    6   10 o  437.877   14.997  2418.62  163.990  2403.28  230.936  2434.22  232.911  434.246   21.296  437.012   21.343 -2.766327 30.15031 
1 1 1  -18    6   11 o  426.439   14.890  2293.64  158.560  2324.77  223.490  2262.09  224.991  427.223   20.949  420.698   21.488 6.525452 30.00956 
1 1 1  -18    6   12 o  249.109   10.917  779.067   67.910  758.521   94.620  800.894   97.525  244.636   15.569  251.392   15.612 -6.756088 22.04885 
1 1 1  -18    6   13 o   97.160   12.227  120.513   29.009  112.593   38.734  130.630   43.778   92.873   17.339  100.035   18.195 -7.161110 25.13397 
1 1 1  -18    6   14 o  322.540   12.859  1308.90  103.575  1284.66  145.421  1333.86  147.556  317.768   18.405  323.841   18.321 -6.073425 25.96940 
1 1 1  -18    6   15 f  155.555   11.187  305.430   43.167  321.856   59.453  287.115   62.778  159.006   15.156  149.692   17.101 9.314194 22.85096 
1 1 1  -18    6   16 o   88.330   13.151  100.304   28.124  111.150   38.109   87.332   41.675   92.286   17.168   81.277   20.528 11.00879 26.76075 
1 1 1  -18    6   17 o  104.547   12.373  139.341   31.676  126.563   42.985  154.524   46.857   98.419   18.159  109.078   17.818 -10.65945 25.44035 
1 1 1  -18    6   18 o  172.138   16.685  378.292   70.820  144.492  112.357  532.411   91.224  106.567   35.777  204.134   18.083 -97.56711 40.08697 
1 1 1  -18    6   19 o  275.606   17.734  966.797  121.405  749.740  180.734  1145.27  163.885  237.716   31.200  298.538   22.141 -60.82214 38.25749 
1 1 1  -18    6   20 o  139.479   11.486  246.133   39.650  268.335   54.520  221.205   57.769  144.977   15.290  130.841   18.171 14.13612 23.74822 
1 1 1  -18    6   21 o   82.986   14.019   89.174   28.017   96.780   37.710   79.802   41.857   85.750   18.175   77.766   21.042 7.983879 27.80493 
1 1 1  -18    6   22 o  295.810   12.176  1101.14   89.946  1092.48  126.962  1109.86  127.445  292.958   17.434  295.311   17.358 -2.352386 24.60152 
1 1 1  -18    6   23 o  261.045   11.622  857.196   75.759  868.217  106.613  845.954  107.674  261.264   16.425  257.764   16.820 3.499908 23.50909 
1 1 1  -18    6   24 o  158.395   11.955  317.624   46.940  334.885   64.976  298.781   67.885  161.737   16.310  152.200   18.224 9.536591 24.45660 
1 1 1  -18    6   25 f  172.152   11.192  374.487   47.851  344.249   66.249  407.467   69.188  163.887   16.408  178.622   15.670 -14.73511 22.68839 
1 1 1  -18    6   26 f  442.442   17.241  2494.20  190.492  2880.57  347.851  2328.69  227.663  465.234   30.103  424.640   21.540 40.59406 37.01542 
1 1 1  -18    6   27 o  362.522   19.159  1691.43  172.832   0.0000   0.0000  1691.43  172.832  ?   ?   362.522   19.159 0.000000 19.15945 
1 1 1  -18    6   28 o   64.195   28.878 -33.5456   97.022   0.0000   0.0000 -33.5456   97.022  ?   ?    64.195   28.878 0.000000 28.87827 
1 1 1  -18    6   29 o  106.220   18.545  149.360   47.401  108.271  144.180  154.339   50.191   99.742   39.319  107.765   19.362 -8.022797 43.82795 
1 1 1  -18    6   30 o   96.823   18.643  125.172   43.441  118.679  149.846  125.768   45.390  101.481   40.059   96.817   19.449 4.664352 44.53078 
1 1 1  -18    6   31 o  361.232   15.861  1680.05  143.072  2097.30  285.684  1540.37  165.295  388.424   29.678  342.875   19.385 45.54938 35.44737 
1 1 1  -18    6   32 o   92.237   19.615  115.640   43.789  188.604  162.469  109.924   45.472  112.811   42.442   89.547   20.742 23.26341 47.23911 
1 1 1  -18    6   33 o   44.726   18.154   12.711   31.659 -60.7563  159.988   15.705   32.297   76.271   35.340   46.165   18.476 30.10658 39.87832 
1 1 1  -18    6   34 o   70.639   21.151   68.289   40.230  101.598  179.143   66.520   41.285   97.657   41.654   69.898   21.530 27.75904 46.88968 
1 1 1  -18    6   35 o  141.661   15.839  264.675   55.072  346.608  194.838  257.560   57.413  136.438   47.089  139.242   16.855 -2.804245 50.01468 
1 1 1  -18    6   36 o  133.575   16.565  237.719   54.070  214.311  204.878  239.471   56.057  111.899   45.887  133.764   17.179 -21.86469 48.99712 
1 1 1  -18    6   37 o  154.311   16.118  316.809   61.192  628.173  226.900  292.387   63.546  177.523   49.383  147.320   17.623 30.20319 52.43365 
1 1 1  -18    6   38 o   83.222   20.976   99.009   43.578   0.0000   0.0000   99.009   43.578  ?   ?    83.222   20.976 0.000000 20.97612 
1 1 1  -18    6   39 o   99.988   38.359  179.639  134.317   0.0000   0.0000  179.639  134.317  ?   ?    99.988   38.359 0.000000 38.35899 
1 1 1  -18    7    1 o  222.163   10.758  619.786   59.682  562.236   82.092  684.304   86.919  210.350   15.742  232.337   15.062 -21.98639 21.78760 
1 1 1  -18    7    2 o  470.029   15.632  2791.39  183.484  2648.51  257.914  2937.79  261.085  454.876   22.706  479.533   21.803 -24.65714 31.47865 
1 1 1  -18    7    3 o  239.091   10.988  717.915   65.607  724.937   91.148  710.366   94.508  239.126   15.345  236.520   16.097 2.605087 22.23913 
1 1 1  -18    7    4 o  406.390   14.041  2081.53  142.493  2162.56  200.212  1998.37  202.846  412.462   19.438  395.560   20.607 16.90201 28.32800 
1 1 1  -18    7    5 o  209.674   10.806  553.402   56.386  586.488   78.006  517.200   81.598  215.163   14.605  201.614   16.348 13.54918 21.92143 
1 1 1  -18    7    6 o   75.752   14.537   74.739   26.499   75.047   35.246   74.337   40.187   75.441   18.782   75.231   20.728 0.2101746 27.97186 
1 1 1  -18    7    7 o  206.934   10.078  537.219   52.079  534.913   71.765  539.783   75.692  205.562   14.065  206.352   14.787 -0.7902832 20.40776 
1 1 1  -18    7    8 o  109.942   11.858  153.641   32.040  159.354   43.289  146.721   47.646  111.201   16.054  106.050   18.674 5.150665 24.62577 
1 1 1  -18    7    9 o  321.748   12.230  1301.59   98.266  1323.65  137.854  1278.81  140.111  322.946   17.155  317.230   17.758 5.715942 24.69116 
1 1 1  -18    7   10 o  398.987   14.102  2006.08  140.509  2065.81  197.918  1945.38  199.511  403.140   19.660  390.392   20.537 12.74799 28.43050 
1 1 1  -18    7   11 o  510.405   17.410  3298.73  221.903  3395.61  313.135  3200.99  314.506  514.416   24.376  498.325   25.357 16.09100 35.17369 
1 1 1  -18    7   12 o  173.947   10.904  381.359   47.126  396.687   65.093  364.475   68.317  176.723   14.889  169.033   16.391 7.690338 22.14330 
1 1 1  -18    7   13 o  276.536   11.519  960.755   79.545  975.617  111.389  945.289  113.631  277.388   16.151  272.870   16.757 4.518768 23.27317 
1 1 1  -18    7   14 o  342.130   13.076  1473.24  111.720  1433.07  156.266  1515.25  159.785  335.538   18.724  345.091   18.611 -9.553375 26.39993 
1 1 1  -18    7   15 o  127.376   11.439  205.440   35.996  202.997   48.801  208.355   53.309  125.800   15.889  127.184   17.228 -1.383850 23.43662 
1 1 1  -18    7   16 o  196.423   11.047  486.030   53.967  478.384   74.630  494.409   78.132  194.030   15.533  197.168   16.007 -3.138321 22.30445 
1 1 1  -18    7   17 o   49.370   16.851   28.429   24.929   11.022   32.765   52.357   38.414   45.514   18.470   64.850   20.877 -19.33627 27.87480 
1 1 1  -18    7   18 f  279.288   22.914  1004.90  158.400   0.0000   0.0000  1004.90  158.400  ?   ?   279.288   22.914 0.000000 22.91364 
1 1 1  -18    7   19 f  175.755   16.289  393.944   70.679  302.365  114.965  449.588   89.615  149.376   31.796  187.060   19.470 -37.68388 37.28337 
1 1 1  -18    7   20 o  252.181   11.231  799.100   70.729  722.221   98.363  881.410  101.777  238.291   16.634  263.652   15.527 -25.36063 22.75502 
1 1 1  -18    7   21 o  249.831   11.330  784.479   70.685  711.263   98.606  861.871  101.379  236.384   16.814  260.637   15.649 -24.25290 22.96950 
1 1 1  -18    7   22 o  254.994   12.008  818.095   76.464  799.934  107.330  836.813  108.962  250.568   17.258  256.345   17.120 -5.776535 24.30939 
1 1 1  -18    7   23 o  218.951   11.538  604.638   62.865  547.242   87.982  664.504   89.856  206.985   17.177  228.582   15.839 -21.59630 23.36530 
1 1 1  -18    7   24 o  321.166   12.808  1300.32  102.723  1262.44  144.588  1338.93  145.968  314.314   18.503  323.877   18.121 -9.563324 25.89804 
1 1 1  -18    7   25 o  380.211   14.043  1827.47  133.335  1791.23  188.505  1863.75  188.622  373.424   20.291  381.136   19.887 -7.712494 28.41164 
1 1 1  -18    7   26 o  497.798   16.781  3154.23  208.602  3047.46  295.117  3260.84  294.898  483.552   24.520  501.526   23.547 -17.97433 33.99530 
1 1 1  -18    7   27 o  259.538   15.113  858.534   97.525  650.979  196.101  926.737  112.413  214.530   37.996  269.042   16.816 -54.51216 41.55085 
1 1 1  -18    7   28 o  114.271   35.917  183.168  114.237   0.0000   0.0000  183.168  114.237  ?   ?   114.271   35.917 0.000000 35.91664 
1 1 1  -18    7   29 o  117.976   16.512  181.495   47.312  439.433  152.613  154.070   49.763  174.523   36.205  107.731   19.202 66.79211 40.98140 
1 1 1  -18    7   30 o  240.549   14.454  741.313   86.424  944.455  193.874  690.934   96.548  261.123   30.295  231.153   16.842 29.97012 34.66164 
1 1 1  -18    7   31 o  118.197   16.893  183.734   48.442  252.942  157.722  176.525   50.902  127.613   42.380  115.327   18.285 12.28599 46.15656 
1 1 1  -18    7   32 o  213.455   15.604  590.678   82.601  550.792  192.332  599.698   91.466  185.977   42.360  214.225   17.244 -28.24780 45.73557 
1 1 1  -18    7   33 o  105.757   18.283  150.239   46.537  319.319  171.334  136.772   48.355  137.611   44.069  100.132   20.038 37.47897 48.41101 
1 1 1  -18    7   34 o  140.041   19.352  263.853   65.866  127.882  184.976  283.596   70.486  102.113   42.881  144.914   20.012 -42.80176 47.32079 
1 1 1  -18    7   35 o  174.794   15.567  400.567   67.239  624.524  207.826  374.384   71.061  190.434   44.503  168.086   17.171 22.34813 47.70042 
1 1 1  -18    7   36 o   88.854   20.408  110.121   44.330  143.879  205.166  108.468   45.402  103.104   44.292   87.966   20.966 15.13799 49.00383 
1 1 1  -18    7   37 o  207.857   16.377  572.901   84.317  743.673  248.823  550.747   89.619  192.962   50.903  202.647   17.894 -9.685028 53.95645 
1 1 1  -18    7   38 f   44.205   18.243   11.499   32.642 -47.7956  229.039   12.728   32.979   84.156   40.006   44.805   18.396 39.35059 44.03307 
1 1 1  -18    7   39 o   67.101   31.012 -24.4106  122.043   0.0000   0.0000 -24.4106  122.043  ?   ?    67.101   31.012 0.000000 31.01162 
1 1 1  -18    8    1 o  218.485   10.780  599.565   58.816  547.800   80.484  658.894   86.164  207.600   15.640  227.882   15.229 -20.28210 21.82950 
1 1 1  -18    8    2 o  306.784   12.161  1183.90   93.163  1192.51  130.100  1174.82  133.470  306.344   17.074  303.871   17.665 2.472900 24.56825 
1 1 1  -18    8    3 o  460.976   15.527  2685.12  178.736  2637.15  251.369  2734.18  254.197  454.048   22.170  462.403   22.014 -8.354797 31.24279 
1 1 1  -18    8    4 o  229.661   10.600  662.208   60.792  732.122   84.499  587.193   87.527  240.564   14.128  214.829   16.440 25.73460 21.67668 
1 1 1  -18    8    5 o  198.821   10.637  497.687   52.620  536.024   72.118  454.043   76.947  205.725   14.124  188.753   16.490 16.97124 21.71194 
1 1 1  -18    8    6 o  138.848   10.681  243.450   36.750  245.085   49.784  241.492   54.478  138.646   14.599  137.286   16.203 1.359619 21.80950 
1 1 1  -18    8    7 o  225.947   10.352  640.724   58.411  636.188   80.449  645.782   84.944  224.150   14.450  225.683   15.160 -1.533493 20.94340 
1 1 1  -18    8    8 o  273.518   11.359  939.879   77.585  965.826  108.103  912.317  111.415  276.055   15.747  268.017   16.730 8.037720 22.97548 
1 1 1  -18    8    9 o  298.162   11.566  1117.10   86.114  1136.87  120.193  1096.25  123.438  299.474   16.131  293.846   16.893 5.628662 23.35811 
1 1 1  -18    8   10 o  114.797   11.466  167.190   32.429  165.382   43.462  169.461   48.708  113.370   15.780  114.386   17.618 -1.016197 23.65126 
1 1 1  -18    8   11 o  302.272   11.621  1148.15   87.718  1171.72  123.127  1123.86  124.997  304.009   16.278  297.543   16.893 6.466370 23.45899 
1 1 1  -18    8   12 o  177.188   10.773  395.594   47.441  415.585   65.145  373.022   69.225  180.967   14.538  170.998   16.413 9.968964 21.92593 
1 1 1  -18    8   13 o  399.836   14.514  2016.10  144.914  2158.67  204.427  1872.09  205.457  411.949   19.872  382.426   21.602 29.52252 29.35244 
1 1 1  -18    8   14 o  345.435   13.012  1501.91  112.241  1480.34  157.423  1524.22  160.077  341.059   18.553  346.077   18.591 -5.018799 26.26500 
1 1 1  -18    8   15 o  112.655   12.612  161.614   34.871  182.403   47.094  136.382   51.883  119.055   16.266  101.632   21.132 17.42383 26.66742 
1 1 1  -18    8   16 o   98.677   13.312  124.775   31.965  142.429   42.773  102.443   48.107  104.811   16.918   87.872   21.979 16.93954 27.73680 
1 1 1  -18    8   17 o  190.981   16.241  464.445   76.721  337.455  120.703  550.529   99.379  158.090   31.678  207.226   19.431 -49.13612 37.16306 
1 1 1  -18    8   18 o  363.827   28.713  1729.12  258.748  1729.12  258.748   0.0000   0.0000  363.827   28.713  ?   ?  0.000000 28.71279 
1 1 1  -18    8   19 o  225.940   11.518  643.261   64.772  642.010   89.884  644.613   93.422  224.743   16.123  225.046   16.744 -0.3030853 23.24417 
1 1 1  -18    8   20 f  470.461   15.761  2798.61  185.170  2690.89  260.589  2908.47  263.171  458.207   22.774  476.728   22.106 -18.52072 31.73883 
1 1 1  -18    8   21 o  196.372   11.392  486.344   55.624  484.297   77.234  488.550   80.177  195.016   16.000  195.742   16.558 -0.7255402 23.02563 
1 1 1  -18    8   22 o  104.711   12.986  140.199   33.228  129.676   44.836  153.019   49.489   99.423   18.746  108.152   19.019 -8.728317 26.70454 
1 1 1  -18    8   23 o  126.006   12.236  201.748   38.017  186.319   51.588  220.086   56.240  119.868   17.773  130.489   17.717 -10.62141 25.09539 
1 1 1  -18    8   24 o  249.951   12.269  787.064   76.579  779.008  107.448  795.380  109.170  246.940   17.538  249.502   17.635 -2.561935 24.87177 
1 1 1  -18    8   25 o  307.366   13.473  1193.30  103.410  1124.61  145.651  1263.13  146.843  295.800   19.833  313.999   18.814 -18.19962 27.33690 
1 1 1  -18    8   26 o  255.792   12.676  826.123   80.970  834.234  114.570  818.029  114.447  254.979   18.111  252.416   18.281 2.563522 25.73317 
1 1 1  -18    8   27 o  206.234   11.492  538.105   58.949  553.198   83.267  522.939   83.466  207.803   16.174  201.833   16.711 5.970444 23.25569 
1 1 1  -18    8   28 o  110.978   36.689  169.999  118.255   0.0000   0.0000  169.999  118.255  ?   ?   110.978   36.689 0.000000 36.68925 
1 1 1  -18    8   29 o  233.452   21.635  716.387  124.692  609.869  186.218  802.966  167.886  205.268   37.719  243.207   28.164 -37.93901 47.07360 
1 1 1  -18    8   30 o  203.393   15.302  532.374   77.153  672.733  175.549  498.772   85.893  217.772   33.342  195.829   17.757 21.94322 37.77613 
1 1 1  -18    8   31 o  239.953   14.680  740.310   87.540  975.983  200.715  684.951   97.280  263.288   31.131  229.599   17.089 33.68927 35.51269 
1 1 1  -18    8   32 o  171.070   15.854  380.760   66.956  404.672  177.478  376.792   72.298  157.485   43.628  169.516   17.323 -12.03050 46.94085 
1 1 1  -18    8   33 o   86.581   21.165  103.540   45.376   0.0000   0.0000  103.540   45.376  ?   ?    86.581   21.165 0.000000 21.16501 
1 1 1  -18    8   34 o  152.792   18.234  310.832   68.197  445.034  189.380  290.836   73.102  160.062   45.326  146.543   20.540 13.51889 49.76265 
1 1 1  -18    8   35 o  145.854   19.497  287.156   69.237   82.320  190.747  318.239   74.304   95.947   41.949  153.440   19.858 -57.49272 46.41146 
1 1 1  -18    8   36 o   93.216   20.519  120.961   46.469  140.307  205.750  119.921   47.701  103.018   44.308   92.568   21.104 10.45049 49.07781 
1 1 1  -18    8   37 o  145.126   17.134  282.051   60.896  303.852  224.745  280.323   63.263  122.796   48.873  144.211   17.956 -21.41523 52.06693 
1 1 1  -18    8   38 o   64.634   21.424   56.796   40.311  187.708  232.072   52.724   40.934  105.349   46.159   62.981   21.592 42.36810 50.95968 
1 1 1  -18    8   39 o   62.205   21.408   51.954   40.256   0.0000   0.0000   51.954   40.256  ?   ?    62.205   21.408 0.000000 21.40789 
1 1 1  -18    9    1 o  205.853   11.058  534.022   56.638  576.352   77.776  486.229   82.642  213.145   14.702  195.115   17.135 18.03078 22.57783 
1 1 1  -18    9    2 o  191.180   11.062  460.776   52.586  469.189   72.656  451.519   76.208  192.100   15.272  188.169   16.381 3.930740 22.39601 
1 1 1  -18    9    3 o  218.510   11.086  601.448   60.291  636.837   83.245  562.404   87.439  224.071   14.963  210.067   16.809 14.00323 22.50451 
1 1 1  -18    9    4 o  240.650   11.076  727.607   66.562  753.028   92.187  699.919   96.207  243.688   15.225  234.578   16.529 9.109634 22.47283 
1 1 1  -18    9    5 o  149.585   10.872  282.504   40.334  270.931   54.625  296.379   59.808  145.689   15.240  152.292   15.964 -6.603165 22.07047 
1 1 1  -18    9    6 o  164.092   10.781  339.582   43.932  360.903   59.756  314.501   64.810  168.561   14.332  156.743   16.821 11.81743 22.09857 
1 1 1  -18    9    7 o  417.741   14.504  2201.63  151.306  2265.78  212.568  2135.74  215.419  421.750   20.183  408.548   21.188 13.20200 29.26234 
1 1 1  -18    9    8 o  364.323   13.535  1672.23  123.135  1806.89  172.907  1533.67  175.397  377.295   18.352  346.389   20.367 30.90634 27.41531 
1 1 1  -18    9    9 o  435.843   15.089  2398.28  164.224  2694.62  232.301  2102.20  232.194  459.970   20.224  404.469   23.084 55.50092 30.69055 
1 1 1  -18    9   10 o  180.984   10.841  412.769   48.770  452.613   67.071  368.065   71.044  188.925   14.323  169.690   16.994 19.23505 22.22498 
1 1 1  -18    9   11 o  253.271   10.934  805.582   69.154  845.781   96.129  762.465   99.557  258.446   14.959  244.999   16.367 13.44672 22.17286 
1 1 1  -18    9   12 o  229.967   10.814  664.065   62.103  762.574   86.621  559.872   89.085  245.538   14.188  209.589   17.172 35.94896 22.27455 
1 1 1  -18    9   13 o  121.070   11.743  185.937   35.056  188.953   47.088  182.187   52.507  121.271   15.935  118.512   18.334 2.759361 24.29083 
1 1 1  -18    9   14 o  406.068   14.744  2080.60  149.506  2145.37  210.369  2014.51  212.514  409.810   20.622  396.677   21.534 13.13257 29.81621 
1 1 1  -18    9   15 o  102.486   13.916  134.737   34.693  118.942   43.988  160.732   56.433   95.116   19.182  110.497   21.223 -15.38091 28.60694 
1 1 1  -18    9   16 o  267.716   16.515  910.182  109.870  935.443  165.258  890.172  147.084  268.599   24.922  262.823   22.631 5.776794 33.66422 
1 1 1  -18    9   17 o  141.865   21.185  262.104   72.752   0.0000   0.0000  262.104   72.752  ?   ?   141.865   21.185 0.000000 21.18510 
1 1 1  -18    9   18 o  406.873   21.062  2118.25  213.261  1962.63  307.294  2262.84  296.206  385.417   32.224  416.348   28.664 -30.93158 43.12778 
1 1 1  -18    9   19 o  158.760   11.392  318.381   44.862  317.322   61.185  319.613   65.974  157.669   15.751  157.964   16.992 -0.2942657 23.16937 
1 1 1  -18    9   20 o  168.225   11.290  357.254   47.155  332.544   64.486  385.651   69.130  161.319   16.228  173.866   16.105 -12.54765 22.86300 
1 1 1  -18    9   21 o  352.230   13.503  1564.10  118.767  1470.10  166.404  1661.69  169.564  339.100   19.736  360.938   18.878 -21.83789 27.31138 
1 1 1  -18    9   22 o  166.354   11.518  349.676   47.554  356.697   65.582  341.891   69.056  167.138   15.905  163.296   17.193 3.842239 23.42143 
1 1 1  -18    9   23 o   77.828   15.322   79.234   28.719   80.005   37.664   78.164   44.391   77.711   19.453   77.065   21.987 0.6456757 29.35728 
1 1 1  -18    9   24 o  297.838   11.921  1117.17   88.662  1075.88  124.261  1160.00  126.544  290.454   17.209  301.756   16.861 -11.30197 24.09191 
1 1 1  -18    9   25 o  207.404   11.664  543.542   60.167  557.491   84.244  529.019   85.960  208.903   16.277  203.227   17.097 5.675568 23.60637 
1 1 1  -18    9   26 o  118.924   12.684  180.564   37.087  185.002   49.569  174.921   55.898  119.346   17.123  115.157   20.174 4.189682 26.46062 
1 1 1  -18    9   27 o   99.457   13.743  127.600   33.221  105.435   43.653  158.103   51.210   88.807   20.147  109.406   19.457 -20.59930 28.00838 
1 1 1  -18    9   28 o  273.900   17.257  964.621  117.434  929.482  147.642  1025.14  193.758  266.226   22.417  275.703   28.557 -9.477142 36.30419 
1 1 1  -18    9   29 o  251.478   21.942  832.029  136.411  824.536  205.826  837.898  182.164  241.191   35.211  246.982   30.162 -5.791000 46.36368 
1 1 1  -18    9   30 o  105.049   18.958  147.062   47.902  214.661  145.691  138.869   50.722  120.603   40.738  101.456   20.721 19.14744 45.70528 
1 1 1  -18    9   31 o  338.155   16.759  1476.83  141.519  1537.29  272.669  1454.53  165.564  327.696   33.806  332.735   20.019 -5.038971 39.28897 
1 1 1  -18    9   32 o  147.617   17.498  286.813   63.247   18.662  162.181  334.908   68.685   86.611   38.245  159.642   17.517 -73.03088 42.06576 
1 1 1  -18    9   33 o   83.369   22.554   96.577   48.092  164.301  163.401   90.154   50.321  107.451   42.009   80.622   23.532 26.82827 48.15094 
1 1 1  -18    9   34 o   58.135   20.774   40.390   38.150 -11.8557  173.201   43.054   39.111   83.566   37.988   59.489   21.058 24.07664 43.43440 
1 1 1  -18    9   35 o  114.536   20.222  179.479   55.724  182.301  194.023  179.225   58.175  109.623   44.770  113.975   21.221 -4.351738 49.54433 
1 1 1  -18    9   36 o   90.473   20.085  113.584   44.194   18.238  205.104  118.226   45.257   89.941   41.061   92.295   20.197 -2.353333 45.75966 
1 1 1  -18    9   37 f  136.408   16.977  249.065   56.580  406.426  224.608  238.403   58.465  139.266   50.330  132.829   18.097 6.437424 53.48470 
1 1 1  -18    9   38 o   96.325   20.873  131.114   48.758   17.658  226.546  136.624   49.928   89.407   41.639   98.327   20.974 -8.920296 46.62286 
1 1 1  -18    9   39 o   99.196   38.379  168.946  135.290   62.100  250.178  213.107  160.837   92.802   43.398  106.666   41.685 -13.86404 60.17508 
1 1 1  -18   10    1 o  352.993   18.537  1589.33  162.827  1611.13  232.605  1568.39  228.008  351.486   26.701  346.865   26.524 4.620575 37.63578 
1 1 1  -18   10    2 f  354.115   18.355  1598.32  161.751  1729.52  232.001  1474.23  225.632  364.939   25.620  336.016   27.121 28.92288 37.30864 
1 1 1  -18   10    3 o  273.677   16.215  951.489  110.323  994.377  159.525  912.173  152.738  277.340   23.248  265.548   23.268 11.79236 32.89186 
1 1 1  -18   10    4 f  301.847   17.115  1158.70  128.476  1105.32  184.801  1208.64  178.736  291.512   25.647  305.845   23.584 -14.33350 34.84257 
1 1 1  -18   10    5 o  276.880   16.515  974.098  113.665  920.452  164.219  1023.44  157.486  266.156   25.001  281.751   22.573 -15.59500 33.68362 
1 1 1  -18   10    6 f  166.070   10.989  347.984   45.315  325.211   61.159  375.705   67.477  159.672   15.535  171.640   15.924 -11.96838 22.24697 
1 1 1  -18   10    7 o  451.507   15.271  2575.69  172.180  2591.01  241.927  2559.97  245.103  450.244   21.517  447.332   21.942 2.911530 30.73145 
1 1 1  -18   10    8 f  367.517   13.561  1702.18  124.460  1794.86  174.552  1606.33  177.511  375.864   18.597  354.518   20.134 21.34537 27.40861 
1 1 1  -18   10    9 o  190.931   11.096  459.512   52.677  471.233   71.870  445.907   77.433  192.605   15.063  186.941   16.765 5.664368 22.53792 
1 1 1  -18   10   10 o  291.241   12.280  1067.08   89.311  1180.50  124.577  947.149  128.105  305.005   16.417  272.356   18.954 32.64893 25.07479 
1 1 1  -18   10   11 o   85.786   14.252   95.222   29.460   98.166   39.125   91.368   44.768   86.309   18.694   83.049   21.440 3.260139 28.44500 
1 1 1  -18   10   12 o  207.387   11.375  542.069   58.687  610.687   80.391  463.779   85.871  219.489   14.753  190.314   18.294 29.17451 23.50140 
1 1 1  -18   10   13 o  111.302   18.352  161.198   49.229  130.047   84.696  177.091   60.497   99.547   30.867  115.981   21.685 -16.43449 37.72312 
1 1 1  -18   10   14 o  293.798   17.359  1097.58  126.788  1046.35  187.412  1140.81  172.169  283.325   26.807  297.404   23.371 -14.07889 35.56424 
1 1 1  -18   10   15 o  469.352   22.899  2822.74  268.388  2762.63  384.195  2880.03  375.086  456.351   33.956  467.249   32.345 -10.89862 46.89627 
1 1 1  -18   10   16 o  220.256   21.157  624.647  114.934   0.0000   0.0000  624.647  114.934  ?   ?   220.256   21.157 0.000000 21.15658 
1 1 1  -18   10   17 o  176.897   27.124  413.488  115.997  413.488  115.997   0.0000   0.0000  176.897   27.124  ?   ?  0.000000 27.12414 
1 1 1  -18   10   18 o  290.233   12.237  1059.85   88.687  1102.60  123.888  1014.91  127.016  294.543   16.914  282.179   18.121 12.36340 24.78853 
1 1 1  -18   10   19 o  130.919   11.762  217.249   38.042  224.047   50.931  208.668   57.216  132.208   15.736  126.864   18.614 5.343948 24.37421 
1 1 1  -18   10   20 o   76.832   15.502   77.254   28.718   64.754   37.424   95.158   44.787   70.415   20.219   84.667   21.224 -14.25242 29.31312 
1 1 1  -18   10   21 o  106.051   12.853  143.704   33.344  104.094   43.990  197.196   51.120   88.609   20.314  123.600   17.013 -34.99049 26.49740 
1 1 1  -18   10   22 o  142.612   11.799  257.642   41.643  223.471   56.141  299.440   62.090  131.551   17.526  152.837   16.532 -21.28615 24.09250 
1 1 1  -18   10   23 o  120.783   12.695  185.850   37.718  175.577   50.398  198.931   56.868  116.204   17.946  123.563   19.042 -7.359207 26.16573 
1 1 1  -18   10   24 o  266.140   11.992  892.354   79.696  930.399  112.202  853.617  113.219  270.131   16.715  258.392   17.652 11.73880 24.31050 
1 1 1  -18   10   25 o  291.591   12.529  1072.84   91.232  1041.81  128.133  1104.74  129.929  285.199   18.085  293.835   17.791 -8.636261 25.36901 
1 1 1  -18   10   26 o  107.575   12.970  148.309   34.139  111.326   45.006  198.425   52.391   91.359   20.258  123.548   17.468 -32.18921 26.74957 
1 1 1  -18   10   27 o  170.150   12.270  367.712   51.787  423.473   71.845  307.407   74.715  181.628   16.004  153.283   19.995 28.34540 25.61136 
1 1 1  -18   10   28 o  174.028   15.882  389.659   68.259  366.026   78.442  463.372  138.538  167.529   19.091  182.752   31.494 -15.22346 36.82840 
1 1 1  -18   10   29 o  199.151   16.967  512.737   83.574  556.586   99.774  409.627  153.000  206.405   19.592  167.191   37.563 39.21384 42.36510 
1 1 1  -18   10   30 o   94.059   20.302  119.516   46.289  183.899  141.911  111.851   48.967  113.522   40.119   90.558   21.894 22.96385 45.70462 
1 1 1  -18   10   31 o  191.003   17.253  475.674   81.402  207.249  176.637  548.053   91.722  118.494   44.317  204.677   18.133 -86.18349 47.88351 
1 1 1  -18   10   32 o  114.164   18.785  174.375   51.690  133.530  155.974  179.414   54.786  102.557   40.747  115.471   19.707 -12.91383 45.26248 
1 1 1  -18   10   33 o  122.024   18.143  198.629   53.604  341.150  170.032  182.902   56.484  142.702   43.651  116.137   20.210 26.56403 48.10225 
1 1 1  -18   10   34 o   59.496   21.223   42.635   39.801   68.306  167.865   41.106   40.969   92.177   39.833   59.198   21.480 32.97875 45.25492 
1 1 1  -18   10   35 o   44.222   18.954   2.1714   37.414  117.875  176.092  -3.2987   38.288   99.093   41.737   43.170   18.836 55.92261 45.79104 
1 1 1  -18   10   36 o   68.539   31.219 -25.2267  117.715 -118.1134  199.690   24.241  145.727   77.770   37.078   81.128   36.017 -3.358185 51.69147 
1 1 1  -18   10   37 o   85.427   21.961  103.627   47.107  379.815  219.095   90.241   48.235  135.792   49.611   79.612   22.982 56.18010 54.67586 
1 1 1  -18   10   38 o   82.166   22.145   96.798   46.466   0.0000   0.0000   96.798   46.466  ?   ?    82.166   22.145 0.000000 22.14481 
1 1 1  -18   10   39 o  135.206   19.429  253.080   63.716  279.439  251.738  251.276   65.860  112.856   48.774  134.142   20.295 -21.28609 52.82798 
1 1 1  -18   11    1 o  198.281   10.967  495.783   54.092  484.329   73.138  509.613   80.367  195.100   15.130  199.878   16.242 -4.777451 22.19724 
1 1 1  -18   11    2 o  284.378   11.897  1017.86   84.485  1042.88  116.979  990.581  122.148  286.370   16.427  278.686   17.643 7.684479 24.10607 
1 1 1  -18   11    3 o  159.543   11.192  321.576   44.309  343.257   59.911  295.398   65.831  164.169   14.772  151.512   17.735 12.65707 23.08113 
1 1 1  -18   11    4 o  177.781   10.957  398.713   48.406  370.381   65.364  433.121   72.033  170.429   15.529  184.339   15.801 -13.91043 22.15416 
1 1 1  -18   11    5 o  269.508   16.168  922.908  108.308  980.173  157.358  871.357  149.300  275.344   23.099  259.432   23.294 15.91095 32.80487 
1 1 1  -18   11    6 o  237.156   15.347  713.949   90.403  819.080  134.141  626.462  122.368  252.172   21.507  219.945   22.601 32.22702 31.19872 
1 1 1  -18   11    7 o  247.094   15.637  775.171   95.991  852.703  141.742  709.488  130.463  257.073   22.300  234.235   22.584 22.83806 31.73866 
1 1 1  -18   11    8 o  312.648   17.434  1243.62  135.575  1285.62  197.126  1205.93  186.757  314.724   25.296  305.010   24.733 9.713837 35.37757 
1 1 1  -18   11    9 o  367.460   19.006  1721.99  173.810  1773.11  250.021  1674.18  241.793  368.828   27.340  358.407   27.219 10.42020 38.57951 
1 1 1  -18   11   10 o  187.942   15.457  449.382   71.898  394.202  108.590  492.454   95.940  172.989   25.937  195.648   19.915 -22.65919 32.70037 
1 1 1  -18   11   11 o  192.827   14.992  472.365   71.624  563.373  110.144  405.685   94.280  208.946   21.412  176.863   21.809 32.08235 30.56279 
1 1 1  -18   11   12 o  266.390   15.550  900.002  102.995  1161.27  156.436  700.098  136.838  300.911   20.949  232.277   23.934 68.63486 31.80727 
1 1 1  -18   11   13 o   82.868   20.924   91.016   43.307   35.266   77.126  116.689   52.337   71.176   28.528   93.629   22.635 -22.45294 36.41687 
1 1 1  -18   11   14 o  134.730   16.992  233.471   55.899  218.985   94.295  241.320   69.410  127.087   30.164  135.978   21.127 -8.891167 36.82710 
1 1 1  -18   11   15 o  377.550   19.384  1818.76  182.139  1921.95  264.896  1726.22  250.846  383.860   27.823  363.691   27.831 20.16882 39.35377 
1 1 1  -18   11   16 o  356.908   15.520  1610.38  138.326  1857.57  165.926  1047.12  250.464  382.731   17.361  277.988   36.999 104.7430 40.86968 
1 1 1  -18   11   17 o  280.216   11.910  987.688   83.340  989.848  115.714  985.359  120.133  279.059   16.681  278.215   17.378 0.8443604 24.08897 
1 1 1  -18   11   18 o  239.515   11.694  721.470   69.942  725.997   96.454  716.451  101.569  238.937   16.262  237.078   17.275 1.858398 23.72511 
1 1 1  -18   11   19 o  198.070   11.411  494.866   56.204  475.335   77.172  516.927   82.017  193.121   16.150  201.373   16.454 -8.251404 23.05553 
1 1 1  -18   11   20 o  129.601   11.992  213.128   38.372  192.592   51.114  239.644   58.083  122.063   17.250  136.353   17.459 -14.29022 24.54326 
1 1 1  -18   11   21 o  104.841   13.434  140.827   34.363  110.310   45.085  183.130   53.082   91.219   20.314  118.637   18.523 -27.41759 27.49067 
1 1 1  -18   11   22 o  162.294   11.721  333.190   47.181  333.415   64.133  332.924   69.658  161.424   16.125  160.931   17.621 0.4925079 23.88592 
1 1 1  -18   11   23 f  221.602   11.498  619.740   63.407  606.847   87.423  634.049   92.103  218.150   16.163  222.865   16.670 -4.715210 23.21927 
1 1 1  -18   11   24 o  182.731   11.675  422.275   52.998  401.323   72.671  446.079   77.459  176.955   16.641  186.593   16.804 -9.637939 23.64933 
1 1 1  -18   11   25 o  373.212   14.216  1763.75  132.489  1718.32  186.507  1810.03  188.241  365.088   20.541  374.936   20.179 -9.847595 28.79455 
1 1 1  -18   11   26 o  174.166   12.256  384.920   52.964  385.145   73.226  384.673   76.699  172.894   17.188  172.511   18.073 0.3826752 24.94094 
1 1 1  -18   11   27 o  108.456   13.437  151.254   35.613  149.591   47.301  153.431   54.113  106.546   18.446  107.210   20.964 -0.6645355 27.92351 
1 1 1  -18   11   28 o  127.959   16.706  212.950   52.107  196.571   56.499  306.196  134.805  122.099   19.161  144.988   37.084 -22.88968 41.74190 
1 1 1  -18   11   29 o  182.696   17.606  433.529   79.331  533.879   94.677  197.033  145.345  202.302   18.962  117.324   40.661 84.97789 44.86495 
1 1 1  -18   11   30 o   88.893   14.557  103.467   31.196   87.354   40.372  127.346   49.146   80.287   20.164   96.922   20.919 -16.63492 29.05492 
1 1 1  -18   11   31 f  120.520   18.767  193.243   54.643  118.087  148.993  204.923   58.736   99.913   39.784  123.828   19.651 -23.91512 44.37290 
1 1 1  -18   11   32 o  144.488   16.438  273.497   58.253  552.913  165.038  233.731   62.261  192.393   35.665  132.211   19.438 60.18211 40.61801 
1 1 1  -18   11   33 o   86.657   21.029  103.691   45.046  134.733  156.746  100.897   47.030  101.634   40.693   85.255   21.957 16.37978 46.23920 
1 1 1  -18   11   34 o   74.348   22.058   76.145   43.904  163.021  171.253   70.034   45.423  106.493   42.572   71.800   22.659 34.69319 48.22629 
1 1 1  -18   11   35 o   81.107   21.904   92.040   45.406  160.150  183.789   87.612   46.859  105.796   43.432   79.119   22.596 26.67726 48.95774 
1 1 1  -18   11   36 o   75.123   23.009   78.771   47.227   37.231  189.223   81.530   48.771   89.680   40.337   76.301   23.384 13.37894 46.62549 
1 1 1  -18   11   37 o   82.973   22.416   98.023   47.542  144.266  208.354   95.483   48.831  102.231   44.277   81.788   22.965 20.44331 49.87838 
1 1 1  -18   11   38 o   77.001   34.155   28.036  130.768 -83.8202  226.643   83.857  160.107   82.164   39.264   88.850   38.647 -6.685638 55.09334 
1 1 1  -18   11   39 o   84.145   23.739  104.069   52.050  172.587  240.577  100.704   53.313  102.076   45.730   82.663   24.248 19.41261 51.76147 
1 1 1  -18   12    1 o  119.470   12.534  181.842   36.836  182.381   48.769  181.125   56.207  118.692   16.934  117.529   19.859 1.162521 26.09840 
1 1 1  -18   12    2 o  278.007   11.773  973.026   81.732  997.183  112.521  946.046  118.916  279.975   16.163  272.214   17.588 7.760925 23.88638 
1 1 1  -18   12    3 o  208.218   11.048  546.707   57.239  549.561   78.158  543.405   84.060  207.867   15.162  206.360   16.449 1.506622 22.37055 
1 1 1  -18   12    4 o  361.629   13.168  1649.20  118.911  1654.90  166.004  1643.19  170.414  360.064   18.525  358.537   19.102 1.526550 26.60990 
1 1 1  -18   12    5 o  259.794   11.348  848.882   73.618  804.919  101.156  898.389  107.344  251.537   16.190  265.776   16.252 -14.23923 22.94002 
1 1 1  -18   12    6 o  308.159   12.190  1195.56   93.808  1214.01  130.594  1175.90  134.837  308.881   16.996  303.684   17.859 5.197388 24.65381 
1 1 1  -18   12    7 o  244.032   11.016  748.550   67.128  690.676   91.821  814.993   98.384  233.057   15.872  253.316   15.629 -20.25894 22.27529 
1 1 1  -18   12    8 o  450.094   14.917  2560.29  167.667  2491.62  234.750  2631.81  239.557  441.263   21.304  453.586   21.149 -12.32278 30.01912 
1 1 1  -18   12    9 o  312.766   12.255  1231.36   95.719  1210.09  132.545  1254.56  138.376  308.362   17.282  313.840   17.729 -5.477783 24.75884 
1 1 1  -18   12   10 o  232.712   11.360  680.877   66.013  735.381   91.206  620.908   95.668  240.717   15.252  220.522   17.517 20.19460 23.22613 
1 1 1  -18   12   11 o  211.378   10.902  562.900   57.350  569.487   77.985  555.141   84.633  211.818   14.837  208.751   16.367 3.067230 22.09072 
1 1 1  -18   12   12 o  249.352   11.251  781.581   70.058  891.925   96.884  660.654  101.424  265.357   14.678  227.389   18.009 37.96808 23.23279 
1 1 1  -18   12   13 o  101.141   13.346  131.105   32.885  131.187   43.446  130.995   50.322  100.183   18.029   99.496   20.917 0.6867599 27.61500 
1 1 1  -18   12   14 o  183.890   11.205  426.591   51.207  422.353   69.751  431.545   75.416  182.126   15.484  183.846   16.606 -1.720337 22.70480 
1 1 1  -18   12   15 o  222.959   13.105  628.487   72.641  587.304  115.220  655.655   93.583  213.107   21.966  226.899   16.632 -13.79198 27.55240 
1 1 1  -18   12   16 o  287.694   11.338  1040.58   81.454  1049.26  111.843  1030.78  118.864  287.595   15.632  284.699   16.793 2.896210 22.94292 
1 1 1  -18   12   17 f  450.920   15.032  2569.83  169.269  2584.89  237.568  2554.31  241.240  449.578   21.161  446.675   21.628 2.903229 30.25776 
1 1 1  -18   12   18 o  345.608   13.051  1505.28  112.632  1517.36  157.954  1492.79  160.652  344.958   18.403  341.957   18.887 3.001129 26.36984 
1 1 1  -18   12   19 o  137.986   11.757  241.258   40.124  230.591   53.552  254.911   60.585  133.958   16.348  140.631   17.640 -6.673584 24.05020 
1 1 1  -18   12   20 o  112.464   13.185  161.598   36.328  152.866   48.217  173.064   55.248  108.166   18.517  114.883   19.984 -6.717781 27.24362 
1 1 1  -18   12   21 o  168.606   11.940  359.662   49.946  415.910   68.437  295.562   73.057  180.652   15.315  150.913   19.869 29.73877 25.08604 
1 1 1  -18   12   22 o  162.992   11.691  336.148   47.270  355.252   64.292  313.669   69.739  166.742   15.623  155.924   18.256 10.81821 24.02812 
1 1 1  -18   12   23 o  197.699   11.350  493.623   55.799  416.190   76.108  583.620   82.050  180.118   17.127  214.034   15.455 -33.91577 23.06945 
1 1 1  -18   12   24 o  190.961   11.571  461.112   54.919  446.185   75.191  478.181   80.404  186.682   16.293  193.147   16.839 -6.464951 23.43042 
1 1 1  -18   12   25 o  195.004   11.309  480.832   54.834  461.354   75.015  503.180   80.353  189.813   15.975  198.160   16.385 -8.347290 22.88360 
1 1 1  -18   12   26 o  283.576   12.596  1016.84   89.199  987.459  124.801  1047.52  127.536  277.043   18.140  285.448   17.984 -8.404419 25.54334 
1 1 1  -18   12   27 o   65.555   16.792   57.047   27.611   44.892   34.483   78.763   46.090   60.060   19.810   76.903   22.542 -16.84284 30.00979 
1 1 1  -18   12   28 o   85.270   18.922   97.352   39.239   89.735   41.353  166.193  124.316   81.606   20.359  109.666   37.627 -28.05965 42.78211 
1 1 1  -18   12   29 o  202.648   17.296  532.474   86.688  570.671  101.940  432.702  164.754  208.669   19.800  169.897   39.570 38.77138 44.24716 
1 1 1  -18   12   30 o  171.087   11.764  373.072   49.953  359.045   68.534  388.970   72.961  166.102   16.751  172.788   17.135 -6.684952 23.96308 
1 1 1  -18   12   31 o   95.415   13.684  118.607   31.671  103.749   41.103  140.319   49.687   87.494   19.328  101.764   20.264 -14.26997 28.00382 
1 1 1  -18   12   32 o  143.354   17.206  270.647   60.362  360.886  163.971  256.500   64.922  149.054   42.164  138.610   19.278 10.44406 46.36220 
1 1 1  -18   12   33 o  141.572   17.432  265.246   60.324   82.561  167.478  292.481   64.665   94.697   40.331  148.584   17.781 -53.88701 44.07655 
1 1 1  -18   12   34 o   66.251   21.979   57.722   42.425  156.542  167.145   50.917   43.862  105.004   42.029   63.731   22.322 41.27295 47.58921 
1 1 1  -18   12   35 o  107.978   20.888  160.904   54.286  199.872  181.735  157.086   56.883  111.725   44.112  106.055   22.191 5.669693 49.37894 
1 1 1  -18   12   36 f   80.135   23.074   90.811   48.675  126.696  192.106   88.349   50.317  100.378   42.983   79.078   23.649 21.29948 49.05932 
1 1 1  -18   12   37 o   52.548   20.853   24.542   40.806   0.0000   0.0000   24.542   40.806  ?   ?    52.548   20.853 0.000000 20.85303 
1 1 1  -18   12   38 o   82.442   22.898   98.015   48.824 -29.7404  217.514  104.793   50.103   84.738   39.892   85.151   23.014 -0.4128189 46.05470 
1 1 1  -18   12   39 o   86.052   22.647  107.825   49.326   86.355  237.735  108.791   50.424   94.167   43.437   86.293   22.987 7.873863 49.14440 
1 1 1  -18   13    1 o  333.679   12.697  1404.86  105.798  1416.54  146.426  1392.09  153.034  333.001   17.672  329.679   18.665 3.321869 25.70370 
1 1 1  -18   13    2 o  315.883   12.504  1258.31   98.635  1293.19  136.477  1220.17  142.715  318.384   17.230  308.694   18.600 9.690155 25.35427 
1 1 1  -18   13    3 o  193.363   11.091  471.931   53.331  466.201   71.560  479.091   79.983  191.303   15.102  193.520   16.715 -2.217590 22.52700 
1 1 1  -18   13    4 f  101.477   13.710  132.323   33.852  128.661   44.097  137.577   52.825   98.961   18.525  101.739   21.467 -2.777779 28.35517 
1 1 1  -18   13    5 o  106.567   13.655  145.642   35.503  146.621   46.858  144.322   54.399  105.858   18.393  104.250   21.606 1.608459 28.37492 
1 1 1  -18   13    6 o  498.373   16.509  3151.15  205.465  3094.19  288.375  3209.88  292.820  489.831   23.576  498.953   23.501 -9.122925 33.28830 
1 1 1  -18   13    7 o  439.744   15.105  2446.56  165.868  2414.45  231.796  2480.26  237.453  433.998   21.388  439.746   21.624 -5.747864 30.41407 
1 1 1  -18   13    8 o  144.391   11.605  263.985   41.492  259.312   55.774  269.776   62.090  142.216   15.982  144.715   17.540 -2.498810 23.72878 
1 1 1  -18   13    9 f  307.051   12.202  1187.16   93.561  1145.96  129.468  1232.19  135.359  299.912   17.361  310.975   17.502 -11.06253 24.65202 
1 1 1  -18   13   10 o  272.573   11.434  934.507   77.826  894.677  106.897  979.431  113.527  265.247   16.216  277.496   16.456 -12.24939 23.10382 
1 1 1  -18   13   11 o  343.016   12.759  1482.52  109.290  1525.07  152.613  1437.71  156.583  346.024   17.721  335.541   18.763 10.48331 25.80845 
1 1 1  -18   13   12 o   98.463   13.778  124.629   32.948  120.464   43.233  130.399   50.891   95.711   18.759   99.162   21.194 -3.450851 28.30349 
1 1 1  -18   13   13 o  128.580   12.281  210.011   38.954  207.306   52.194  213.412   58.528  126.784   16.907  128.192   18.846 -1.408493 25.31807 
1 1 1  -18   13   14 o  198.006   13.737  496.971   67.503  600.203  122.716  452.183   80.831  214.902   23.237  187.957   17.419 26.94481 29.04128 
1 1 1  -18   13   15 o  222.477   15.614  629.354   86.199  629.354   86.199   0.0000   0.0000  222.477   15.614  ?   ?  0.000000 15.61444 
1 1 1  -18   13   16 o  348.310   13.215  1529.61  114.941  1605.47  160.270  1449.27  164.934  354.886   18.145  336.510   19.713 18.37564 26.79311 
1 1 1  -18   13   17 o  440.250   15.327  2452.12  168.503  2514.09  236.429  2388.16  240.214  443.049   21.370  430.743   22.409 12.30643 30.96527 
1 1 1  -18   13   18 o  348.320   13.035  1529.59  113.380  1563.93  158.267  1493.39  162.503  350.184   18.161  341.787   19.116 8.396423 26.36746 
1 1 1  -18   13   19 o  327.589   12.762  1352.64  104.401  1319.20  145.358  1388.26  150.043  321.482   18.181  329.769   18.292 -8.287567 25.79035 
1 1 1  -18   13   20 o  188.995   11.641  451.258   54.671  492.484   74.887  404.211   79.999  196.645   15.372  177.266   18.337 19.37947 23.92835 
1 1 1  -18   13   21 o  333.294   13.393  1402.36  111.466  1439.72  155.366  1362.74  160.009  335.512   18.617  325.907   19.754 9.605469 27.14422 
1 1 1  -18   13   22 o  283.870   11.833  1015.22   83.885  967.820  115.624  1067.90  121.885  275.400   16.894  289.318   16.944 -13.91852 23.92741 
1 1 1  -18   13   23 o  176.321   11.441  393.229   50.103  370.026   67.795  421.155   74.375  169.919   16.172  181.248   16.617 -11.32916 23.18799 
1 1 1  -18   13   24 o  251.490   11.385  797.120   71.501  818.536   99.305  774.067  103.034  253.301   15.778  245.918   16.880 7.383591 23.10570 
1 1 1  -18   13   25 o  303.100   13.132  1162.55   99.396  1143.42  138.954  1182.60  142.237  297.996   18.769  303.017   18.891 -5.021515 26.62981 
1 1 1  -18   13   26 o  170.819   11.919  370.439   50.523  351.919   68.733  392.208   74.519  165.096   16.910  174.227   17.359 -9.130707 24.23404 
1 1 1  -18   13   27 o  100.752   14.321  131.560   35.017  112.941   46.465  156.034   53.273   91.591   20.791  108.107   20.483 -16.51630 29.18583 
1 1 1  -18   13   28 o   73.265   19.329   72.034   35.875   64.586   37.345  161.053  129.105   69.686   20.253  108.440   38.272 -38.75465 43.30079 
1 1 1  -18   13   29 o  169.337   15.174  369.874   63.484  413.687   70.778  189.548  143.589  178.839   16.018  114.815   40.379 64.02338 43.43997 
1 1 1  -18   13   30 o  121.399   13.176  189.970   39.301  197.369   51.581  179.729   60.682  122.416   17.360  115.014   21.928 7.402748 27.96800 
1 1 1  -18   13   31 o  120.962   12.709  188.551   37.815  185.872   50.275  192.040   57.383  118.482   17.521  119.525   19.927 -1.042641 26.53409 
1 1 1  -18   13   32 o  100.227   13.865  131.150   33.772  140.590   44.374  118.154   52.065  102.413   18.008   92.145   22.761 10.26846 29.02306 
1 1 1  -18   13   33 o  107.767   20.051  158.195   51.973  209.969  160.398  152.121   54.937  115.064   42.386  104.950   21.680 10.11485 47.60872 
1 1 1  -18   13   34 o  128.709   18.093  221.608   56.547  315.472  172.727  210.341   59.845  134.697   44.332  124.490   19.922 10.20724 48.60282 
1 1 1  -18   13   35 o  163.701   17.766  356.696   71.460  310.272  194.366  363.953   76.842  130.169   46.850  164.636   19.042 -34.46698 50.57203 
1 1 1  -18   13   36 o   93.122   23.140  123.532   53.572  341.546  193.802  105.495   55.745  134.165   46.926   85.699   24.697 48.46581 53.02840 
1 1 1  -18   13   37 o  111.014   46.284  216.155  213.188  216.155  213.188   0.0000   0.0000  111.014   46.284  ?   ?  0.000000 46.28387 
1 1 1  -18   13   38 o   95.059   22.509  129.926   52.605  166.434  213.871  127.575   54.272  102.721   44.674   93.807   23.278 8.914513 50.37531 
1 1 1  -18   13   39 o   64.800   22.519   56.597   44.594  -1.9077  235.867   58.765   45.413   87.038   41.147   65.762   22.732 21.27543 47.00845 
1 1 1  -18   14    1 o  299.095   12.174  1128.70   90.927  1150.45  124.912  1104.17  132.615  300.144   16.732  293.434   18.188 6.710388 24.71357 
1 1 1  -18   14    2 o   99.938   14.376  128.945   34.845  122.351   45.062  138.753   54.956   96.124   19.441  101.850   22.231 -5.726288 29.53267 
1 1 1  -18   14    3 o  292.286   11.766  1076.56   85.876  1021.55  117.468  1139.70  125.860  282.945   16.699  298.820   16.936 -15.87549 23.78446 
1 1 1  -18   14    4 o  307.806   12.326  1194.71   94.747  1203.20  130.405  1185.21  137.892  307.069   17.074  304.302   18.230 2.767639 24.97691 
1 1 1  -18   14    5 o  235.742   11.347  699.610   66.800  722.308   91.522  673.731   97.723  238.225   15.468  229.530   17.174 8.694321 23.11286 
1 1 1  -18   14    6 o  368.678   12.989  1715.12  119.583  1611.99  165.653  1827.36  172.805  354.947   18.756  378.609   18.277 -23.66223 26.18845 
1 1 1  -18   14    7 o  162.561   11.472  334.250   46.271  319.558   61.540  353.359   70.182  158.012   15.808  165.879   17.192 -7.866959 23.35549 
1 1 1  -18   14    8 o  169.635   11.378  363.721   47.921  387.878   64.001  332.896   72.295  174.483   14.829  160.667   18.348 13.81683 23.59153 
1 1 1  -18   14    9 o  154.739   11.832  303.201   45.373  304.561   61.006  301.519   67.876  154.188   16.081  152.887   18.132 1.301132 24.23552 
1 1 1  -18   14   10 o  108.181   13.270  149.797   35.097  157.781   46.249  138.956   53.891  110.156   17.390  102.226   21.778 7.930473 27.86891 
1 1 1  -18   14   11 o  171.643   11.197  372.123   47.732  361.017   63.924  386.119   71.761  168.193   15.390  173.651   16.757 -5.458588 22.75178 
1 1 1  -18   14   12 o  108.164   13.676  149.948   36.113  146.735   47.617  154.298   55.408  105.848   18.698  107.971   21.307 -2.123276 28.34804 
1 1 1  -18   14   13 o  146.311   12.351  271.538   44.704  257.513   60.023  289.009   66.992  141.365   17.368  149.631   18.311 -8.266159 25.23789 
1 1 1  -18   14   14 o   74.072   17.532   72.473   31.924  113.553   40.496   5.0300   51.889   92.960   18.096   53.487   22.599 39.47303 28.95149 
1 1 1  -18   14   15 o  245.433   11.365  757.816   69.657  771.585   94.942  741.762  102.514  246.390   15.510  241.093   17.139 5.297333 23.11499 
1 1 1  -18   14   16 o  269.259   11.632  912.453   78.213  885.883  106.896  943.063  114.739  263.825   16.305  272.024   16.976 -8.198792 23.53796 
1 1 1  -18   14   17 o  465.692   15.467  2746.39  179.869  2695.79  252.475  2798.53  256.315  458.061   22.072  466.756   21.990 -8.695618 31.15700 
1 1 1  -18   14   18 o  227.865   11.637  655.267   65.995  676.432   90.348  631.055   96.631  230.509   15.791  222.097   17.566 8.411911 23.62058 
1 1 1  -18   14   19 o  227.013   11.454  650.281   64.722  654.538   88.354  645.351   95.076  226.721   15.702  224.720   17.070 2.001221 23.19381 
1 1 1  -18   14   20 o  234.736   11.485  693.747   67.320  659.011   92.213  733.388   98.509  227.258   16.358  239.738   16.556 -12.47998 23.27438 
1 1 1  -18   14   21 o  392.591   13.929  1949.02  136.552  1965.74  191.175  1931.59  195.114  391.889   19.535  387.649   20.226 4.240295 28.11950 
1 1 1  -18   14   22 o  277.407   11.358  969.386   78.681  928.128  108.430  1015.27  114.349  269.766   16.170  282.139   16.299 -12.37372 22.95975 
1 1 1  -18   14   23 o  194.791   11.746  480.202   56.870  495.357   77.368  462.389   83.877  196.779   15.880  189.444   17.944 7.334686 23.96164 
1 1 1  -18   14   24 o  285.728   12.214  1031.20   87.146  1051.29  121.332  1009.80  125.248  286.475   17.037  280.342   17.986 6.132690 24.77419 
1 1 1  -18   14   25 o  143.061   12.166  260.501   43.051  240.007   57.131  287.430   65.489  135.971   17.211  148.728   17.999 -12.75780 24.90376 
1 1 1  -18   14   26 o  256.945   12.148  835.335   77.948  807.740  108.292  865.004  112.286  250.372   17.429  259.122   17.454 -8.750076 24.66640 
1 1 1  -18   14   27 o  207.117   13.263  546.966   68.239  532.727  101.372  558.765   92.276  201.569   20.421  207.574   17.980 -6.004822 27.20818 
1 1 1  -18   14   28 o   83.856   19.067   94.588   39.023   77.687   40.777  278.519  134.521   75.893   20.867  136.627   38.030 -60.73405 43.37873 
1 1 1  -18   14   29 o  189.700   15.285  464.320   71.793  488.420   80.369  369.138  159.722  193.969   16.757  154.645   40.777 39.32330 44.08614 
1 1 1  -18   14   30 o  101.270   14.101  133.617   34.692  144.068   45.110  118.487   54.275  103.957   18.030   92.479   23.464 11.47807 29.59172 
1 1 1  -18   14   31 o  220.532   12.340  621.947   67.685  598.947   93.528  647.238   98.075  213.774   17.679  222.186   17.826 -8.412750 25.10617 
1 1 1  -18   14   32 o  175.449   12.198  394.709   53.112  371.941   72.347  421.323   78.219  167.982   17.504  178.747   17.759 -10.76456 24.93495 
1 1 1  -18   14   33 o  192.767   12.005  476.419   57.504  415.234   78.727  546.396   84.193  177.002   18.064  204.091   16.665 -27.08951 24.57734 
1 1 1  -18   14   34 o  108.998   20.235  162.723   53.049  273.646  167.757  150.399   55.918  126.098   43.684  103.808   22.241 22.29023 49.02000 
1 1 1  -18   14   35 o  179.448   18.059  429.242   79.826  338.818  194.605  447.535   87.529  134.948   47.033  182.311   19.530 -47.36331 50.92681 
1 1 1  -18   14   36 o  135.231   22.297  254.964   72.671   0.0000   0.0000  254.964   72.671  ?   ?   135.231   22.297 0.000000 22.29663 
1 1 1  -18   14   37 o  135.957   21.058  256.452   69.183  238.384  208.005  258.699   73.360  113.604   46.370  135.683   22.435 -22.07888 51.51262 
1 1 1  -18   14   38 o  119.903   20.126  199.973   58.125  343.355  224.421  189.663   60.178  125.282   49.161  115.840   21.598 9.442375 53.69569 
1 1 1  -18   14   39 o   89.261   23.750  117.626   53.866  289.483  236.488  108.222   55.320  113.994   48.210   85.314   24.608 28.67987 54.12706 
1 1 1  -18   15    1 o   51.975   21.208   14.739   43.495   20.621   47.865 -13.1296  104.194   55.745   22.428   70.022   30.798 -14.27670 38.09931 
1 1 1  -18   15    2 o  159.467   17.674  328.671   69.196  323.199   82.586  341.565  126.766  156.812   21.669  156.413   33.466 0.3990784 39.86889 
1 1 1  -18   15    3 o  200.064   17.168  513.999   84.941  540.708  105.054  463.573  144.349  203.897   20.929  183.490   32.702 20.40689 38.82593 
1 1 1  -18   15    4 o  479.465   16.277  2924.26  194.884  2880.23  272.883  2970.10  278.415  471.394   23.181  478.606   23.295 -7.211945 32.86401 
1 1 1  -18   15    5 o  145.023   12.050  267.001   43.243  243.725   56.595  299.656   67.033  137.409   16.846  152.244   17.979 -14.83530 24.63807 
1 1 1  -18   15    6 o  204.353   11.241  527.414   57.144  502.284   76.603  558.943   85.804  198.365   15.590  209.030   16.574 -10.66489 22.75389 
1 1 1  -18   15    7 o  212.997   11.045  572.530   58.543  544.234   78.842  607.306   87.404  206.617   15.391  218.096   16.164 -11.47902 22.31912 
1 1 1  -18   15    8 o  302.045   12.207  1150.17   92.070  1198.10  127.166  1097.37  133.476  306.573   16.673  292.727   18.352 13.84634 24.79539 
1 1 1  -18   15    9 o  263.369   11.797  873.807   77.586  866.622  105.694  882.201  114.252  260.749   16.314  262.684   17.518 -1.935120 23.93795 
1 1 1  -18   15   10 o  146.797   12.055  273.319   43.801  282.445   58.246  261.442   66.449  148.391   15.970  141.840   19.258 6.551025 25.01819 
1 1 1  -18   15   11 o  337.322   12.198  1434.03  102.750  1359.31  141.803  1516.63  149.092  326.394   17.461  344.850   17.369 -18.45572 24.62846 
1 1 1  -18   15   12 o  214.274   11.466  579.589   61.131  582.984   82.770  575.515   90.673  213.917   15.602  212.060   17.273 1.856308 23.27587 
1 1 1  -18   15   13 o  137.244   13.656  240.179   46.181  195.642   67.058  280.358   63.692  121.367   22.967  147.434   17.651 -26.06620 28.96593 
1 1 1  -18   15   14 o   53.561   18.632   33.008   30.534   32.072   36.935   35.028   54.271   55.477   20.354   62.955   24.322 -7.477829 31.71494 
1 1 1  -18   15   15 o  107.110   13.618  147.144   35.600  134.742   46.031  165.603   56.156  101.218   18.907  111.984   20.848 -10.76608 28.14466 
1 1 1  -18   15   16 o  199.264   11.274  501.288   55.871  491.992   75.134  512.788   83.564  196.456   15.439  200.198   16.872 -3.741364 22.87042 
1 1 1  -18   15   17 o  385.757   13.656  1880.08  131.553  1764.11  182.292  2006.11  190.037  370.814   19.757  396.208   19.207 -25.39471 27.55491 
1 1 1  -18   15   18 o  186.871   11.221  441.115   52.121  393.431   69.517  502.336   78.769  175.355   16.053  198.316   16.043 -22.96109 22.69545 
1 1 1  -18   15   19 f  196.642   11.591  488.754   56.664  485.404   77.192  492.670   83.444  194.899   16.002  196.011   17.222 -1.112000 23.50863 
1 1 1  -18   15   20 o  340.879   12.606  1466.62  107.308  1336.51  147.543  1612.74  156.353  322.977   18.369  355.644   17.605 -32.66687 25.44357 
1 1 1  -18   15   21 o  173.733   11.771  382.272   50.765  395.476   68.628  366.316   75.439  175.744   15.807  168.392   18.231 7.352173 24.12940 
1 1 1  -18   15   22 o  137.915   12.219  241.951   41.647  242.126   55.264  241.720   63.358  136.947   16.492  136.061   19.180 0.8867798 25.29478 
1 1 1  -18   15   23 o  211.131   11.666  564.230   61.266  578.443   83.895  547.989   89.682  212.556   15.921  206.295   17.576 6.260757 23.71519 
1 1 1  -18   15   24 o  134.964   12.670  232.453   42.203  239.430   56.300  223.504   63.762  135.864   16.964  130.175   20.275 5.688660 26.43554 
1 1 1  -18   15   25 o  100.394   14.426  130.666   35.128  117.071   45.820  150.049   54.712   93.444   20.223  105.715   21.458 -12.27065 29.48564 
1 1 1  -18   15   26 o  247.297   13.725  779.829   84.423  758.538  130.090  795.319  110.962  240.060   21.943  247.891   18.049 -7.830444 28.41278 
1 1 1  -18   15   27 o   82.438   19.539   91.595   39.610   79.598   41.371  223.590  137.225   76.806   20.978  123.039   39.443 -46.23245 44.67487 
1 1 1  -18   15   28 f  166.643   16.059  359.915   66.002  303.569   72.576  629.338  158.701  151.535   19.641  211.761   30.923 -60.22652 36.63335 
1 1 1  -18   15   29 o  139.785   12.970  251.061   44.758  253.800   59.069  247.367   68.586  139.026   17.395  135.802   20.894 3.224213 27.18737 
1 1 1  -18   15   30 o  286.632   12.417  1047.19   88.879  1026.33  123.275  1069.77  128.261  280.344   17.700  285.986   18.052 -5.641388 25.28183 
1 1 1  -18   15   31 o  138.697   12.122  247.073   41.564  216.424   54.857  288.384   63.687  127.744   17.670  147.776   17.605 -20.03226 24.94288 
1 1 1  -18   15   32 o  156.995   12.063  316.453   46.933  293.940   62.656  345.232   70.841  149.215   17.125  161.471   17.868 -12.25529 24.74959 
1 1 1  -18   15   33 o   88.757   15.086  104.564   32.240   90.669   40.816  127.614   52.572   80.995   20.238   95.484   22.430 -14.48837 30.21002 
1 1 1  -18   15   34 o  134.128   12.538  232.624   41.507  224.660   54.938  243.216   63.359  129.790   17.388  134.076   19.495 -4.285782 26.12231 
1 1 1  -18   15   35 o  136.767   20.136  255.136   66.711  107.573  195.514  274.580   70.971   98.533   42.783  141.655   20.672 -43.12234 47.51540 
1 1 1  -18   15   36 o  132.489   47.898  345.727  203.455  345.727  203.455   0.0000   0.0000  132.489   47.898  ?   ?  0.000000 47.89825 
1 1 1  -18   15   37 o   92.073   23.627  122.766   54.594  144.960  201.028  120.998   56.725  100.624   43.536   91.071   24.435 9.552994 49.92487 
1 1 1  -18   15   38 o   79.871   23.346   92.537   49.496 -85.1080  210.634  102.920   50.922   79.018   37.786   84.045   23.400 -5.026733 44.44462 
1 1 1  -18   16    1 o   63.654   18.947   53.032   32.354   64.769   41.480   34.799   51.701   70.325   21.568   61.485   23.743 8.840820 32.07652 
1 1 1  -18   16    2 o  251.710   11.630  800.229   73.102  830.836   98.559  762.801  108.989  254.887   15.559  243.182   18.077 11.70544 23.85048 
1 1 1  -18   16    3 o  158.580   11.808  319.267   46.425  285.932   60.427  367.285   72.524  148.818   16.540  168.579   17.482 -19.76123 24.06641 
1 1 1  -18   16    4 o  250.789   17.608  808.140  109.577  845.911  140.924  750.384  174.261  254.429   22.409  235.232   30.375 19.19678 37.74661 
1 1 1  -18   16    5 o  147.486   18.354  282.491   66.134  292.741   77.595  255.278  126.434  149.165   21.448  133.901   36.714 15.26427 42.51996 
1 1 1  -18   16    6 o  232.241   17.075  691.464   98.334  645.568  121.741  777.617  166.795  222.360   22.222  241.183   28.228 -18.82234 35.92540 
1 1 1  -18   16    7 o   91.848   16.173  110.314   35.739  111.959   46.288  107.888   56.236   91.551   20.729   89.548   24.458 2.003479 32.06028 
1 1 1  -18   16    8 o  262.076   11.489  865.625   75.191  867.995  102.659  862.882  110.439  260.895   15.832  259.663   17.128 1.232513 23.32433 
1 1 1  -18   16    9 o  145.191   11.793  267.462   42.388  254.880   55.828  284.587   65.132  140.720   16.182  148.307   17.952 -7.586472 24.16879 
1 1 1  -18   16   10 o   61.314   18.585   48.445   30.922   52.122   39.475   42.604   49.747   64.688   21.189   63.783   23.585 0.9053040 31.70506 
1 1 1  -18   16   11 o  229.115   11.424  661.266   65.363  646.971   88.740  678.218   96.640  225.172   15.884  230.240   16.927 -5.068237 23.21237 
1 1 1  -18   16   12 o  404.806   21.267  2113.90  214.227   0.0000   0.0000  2113.90  214.227  ?   ?   404.806   21.267 0.000000 21.26676 
1 1 1  -18   16   13 o  143.491   16.721  265.245   58.792  265.245   58.792   0.0000   0.0000  143.491   16.721  ?   ?  0.000000 16.72115 
1 1 1  -18   16   14 o  151.925   12.220  292.910   45.968  315.207   60.931  263.453   70.034  156.827   15.772  141.979   20.334 14.84830 25.73367 
1 1 1  -18   16   15 o  246.583   12.205  766.839   75.156  814.199  102.711  712.256  110.265  252.578   16.373  235.300   18.926 17.27843 25.02495 
1 1 1  -18   16   16 o  187.233   11.903  443.672   55.364  419.816   74.086  473.843   83.316  180.960   16.579  192.044   17.568 -11.08357 24.15546 
1 1 1  -18   16   17 o  302.486   12.009  1153.84   90.715  1153.05  124.554  1154.75  132.386  300.578   16.659  300.371   17.728 0.2068481 24.32713 
1 1 1  -18   16   18 o  227.094   11.154  649.577   63.256  565.582   84.736  755.303   95.068  210.285   16.263  243.355   15.728 -33.07085 22.62416 
1 1 1  -18   16   19 o  206.178   11.626  537.615   59.616  538.452   80.461  536.595   88.767  205.236   15.822  204.331   17.568 0.9040833 23.64189 
1 1 1  -18   16   20 o  554.591   17.637  3929.74  244.254  3817.57  342.204  4046.23  348.744  540.085   25.373  556.294   25.105 -16.20917 35.69349 
1 1 1  -18   16   21 o  367.219   13.570  1707.94  124.434  1671.28  172.688  1747.52  179.460  360.204   19.268  368.159   19.591 -7.954803 27.47823 
1 1 1  -18   16   22 o  218.419   11.914  604.330   64.738  544.914   87.836  674.989   95.786  205.737   17.256  229.276   16.848 -23.53917 24.11682 
1 1 1  -18   16   23 o   67.680   18.000   60.865   30.951   61.862   39.923   59.362   49.001   68.872   21.165   69.403   23.625 -0.5311356 31.71951 
1 1 1  -18   16   24 o  284.202   12.712  1023.52   90.215  995.203  124.892  1054.42  130.456  277.617   18.114  285.647   18.386 -8.029205 25.81070 
1 1 1  -18   16   25 o  143.694   13.716  264.817   48.619  294.431   68.594  234.920   68.922  149.960   18.725  132.708   21.536 17.25195 28.53803 
1 1 1  -18   16   26 f   87.406   20.414  103.293   43.751  116.762   46.050 -21.5638  140.207   93.019   20.388   78.284   35.003 14.73479 40.50721 
1 1 1  -18   16   27 o  220.054   17.321  628.641   94.411  624.675  110.761  639.177  180.547  217.647   20.625  209.806   35.742 7.840729 41.26586 
1 1 1  -18   16   28 o  255.059   14.473  835.612   91.802  832.598  104.192  846.071  194.097  253.517   16.549  243.459   32.757 10.05775 36.69998 
1 1 1  -18   16   29 o   69.455   16.686   64.837   28.579   43.078   35.199  106.925   48.955   58.885   20.024   88.041   22.255 -29.15572 29.93741 
1 1 1  -18   16   30 o  122.566   12.883  193.964   38.840  177.006   50.564  218.372   60.661  115.171   18.185  127.526   19.682 -12.35471 26.79648 
1 1 1  -18   16   31 o   89.600   15.111  106.266   32.607  104.135   40.937  109.965   53.929   87.335   19.286   88.493   23.860 -1.157890 30.67970 
1 1 1  -18   16   32 o  123.969   12.801  198.905   39.058  186.008   50.919  217.341   60.878  117.925   17.849  126.691   19.898 -8.766235 26.73104 
1 1 1  -18   16   33 o   44.575   16.453   21.263   24.188   18.311   28.747   28.420   44.759   45.341   17.650   55.724   21.926 -10.38313 28.14746 
1 1 1  -18   16   34 o  102.502   14.161  138.178   35.279  135.849   45.178  141.816   56.476   99.800   18.818  100.154   23.058 -0.3534241 29.76231 
1 1 1  -18   16   35 o   58.145   17.373   45.456   27.163   30.255   33.139   76.582   47.420   52.028   19.247   74.127   23.115 -22.09938 30.07903 
1 1 1  -18   16   36 o  103.568   23.728  154.195   60.050   45.135  190.814  166.184   63.265   89.279   40.299  107.362   24.179 -18.08234 46.99598 
1 1 1  -18   16   37 o   83.786   24.360  102.281   54.019   73.879  199.758  104.522   56.110   91.959   41.396   84.518   24.900 7.441246 48.30792 
1 1 1  -18   16   38 o   75.049   24.223   81.039   51.688  163.736  220.695   76.240   53.166  101.025   44.612   73.280   24.610 27.74562 50.94986 
1 1 1  -18   17    1 o  160.381   11.973  327.753   47.607  341.076   61.939  308.521   74.417  162.566   15.443  152.881   19.970 9.684799 25.24435 
1 1 1  -18   17    2 o   65.685   18.817   57.180   32.446   69.441   41.419   37.704   52.202   72.266   21.421   62.418   23.921 9.848492 32.11049 
1 1 1  -18   17    3 o  103.735   14.752  139.670   37.139  163.181   47.422  102.374   59.727  111.460   17.624   86.940   25.712 24.51949 31.17194 
1 1 1  -18   17    4 o  242.861   11.681  745.496   70.839  771.979   95.421  712.978  105.735  245.492   15.647  234.851   18.171 10.64127 23.97896 
1 1 1  -18   17    5 o  172.550   11.891  378.017   50.924  406.890   67.397  339.602   77.741  178.107   15.302  161.149   19.731 16.95737 24.96899 
1 1 1  -18   17    6 o  300.759   12.380  1143.92   92.981  1216.88  127.667  1061.51  135.688  308.210   16.649  286.671   19.063 21.53918 25.30993 
1 1 1  -18   17    7 o  183.893   14.217  431.595   64.778  442.114   72.400  389.377  145.040  185.679   15.763  165.435   36.121 20.24376 39.41079 
1 1 1  -18   17    8 o   76.890   22.686   78.299   46.546   67.686   50.962  131.699  114.309   73.131   24.081  101.613   35.996 -28.48184 43.30858 
1 1 1  -18   17    9 o  143.768   18.254  268.611   64.056  267.931   73.665  270.719  129.714  142.587   21.345  137.630   36.960 4.957077 42.68112 
1 1 1  -18   17   10 o   65.876   22.696   52.040   45.254   56.041   49.102   29.472  116.612   68.351   23.636   80.953   34.024 -12.60122 41.42825 
1 1 1  -18   17   11 o  147.119   13.997  276.597   50.802  212.617   72.472  338.408   71.233  125.949   23.917  161.761   17.936 -35.81209 29.89524 
1 1 1  -18   17   12 o  192.714   13.436  472.153   64.254  454.943   95.865  486.191   86.581  186.807   20.909  194.199   18.060 -7.392746 27.62892 
1 1 1  -18   17   13 o  108.211   14.385  150.930   37.907  149.632   48.782  152.907   60.227  106.561   19.030  106.618   23.274 -0.5684662E-01 30.06368 
1 1 1  -18   17   14 o  260.676   11.764  857.187   76.581  790.315  103.443  938.286  113.917  248.470   16.770  270.760   16.933 -22.28984 23.83193 
1 1 1  -18   17   15 o  167.959   12.041  357.811   50.166  348.599   66.505  369.973   76.414  164.681   16.390  169.092   18.393 -4.410843 24.63605 
1 1 1  -18   17   16 o  234.528   11.702  693.870   68.534  732.846   92.761  647.021  101.699  239.601   15.588  224.124   18.331 15.47673 24.06305 
1 1 1  -18   17   17 o  199.392   11.616  503.182   57.589  443.396   76.433  581.695   87.590  185.785   16.651  213.001   16.598 -27.21652 23.51107 
1 1 1  -18   17   18 o  177.180   11.950  398.078   52.564  364.639   70.204  440.739   79.296  168.221   16.943  184.953   17.372 -16.73169 24.26645 
1 1 1  -18   17   19 f  432.874   15.089  2382.48  163.103  2223.92  226.713  2552.58  234.825  413.514   22.035  444.207   21.169 -30.69229 30.55593 
1 1 1  -18   17   20 o  419.625   14.695  2238.21  153.984  2120.25  213.466  2366.18  222.337  404.056   21.231  427.658   20.819 -23.60236 29.73507 
1 1 1  -18   17   21 o  159.340   12.363  323.069   48.808  330.638   65.236  313.445   73.560  160.038   16.563  154.824   19.456 5.214386 25.55145 
1 1 1  -18   17   22 o  131.849   13.845  223.133   44.905  184.456   61.942  265.976   65.193  117.314   21.951  142.579   18.766 -25.26499 28.87929 
1 1 1  -18   17   23 o  225.220   13.472  646.537   75.423  623.669  113.447  664.652  100.970  217.999   21.104  226.581   17.993 -8.583023 27.73291 
1 1 1  -18   17   24 o  401.170   20.635  2101.05  206.019  1885.54  269.047  2406.52  320.325  371.988   29.198  418.425   30.875 -46.43704 42.49419 
1 1 1  -18   17   25 o  114.724   18.970  174.658   52.446  181.142   56.078  129.409  148.141  116.524   19.992  103.340   40.111 13.18314 44.81698 
1 1 1  -18   17   26 o   99.783   19.317  133.551   46.393  121.508   48.810  246.181  149.269   94.524   21.201  127.103   41.179 -32.57884 46.31625 
1 1 1  -18   17   27 o  190.064   15.327  466.853   72.126  470.781   79.533  448.664  171.156  190.169   16.925  170.171   40.805 19.99828 44.17521 
1 1 1  -18   17   28 o  181.332   12.365  420.706   55.656  432.069   75.406  407.109   82.489  181.964   16.784  175.468   19.136 6.495636 25.45351 
1 1 1  -18   17   29 o   99.802   14.379  130.390   34.802  152.880   44.993   96.896   54.908  107.169   17.410   83.509   24.640 23.65974 30.17032 
1 1 1  -18   17   30 o   79.260   15.791   83.998   30.156   63.371   37.639  120.975   50.394   68.447   20.450   93.366   21.979 -24.91843 30.02133 
1 1 1  -18   17   31 o   57.295   17.401   43.485   27.089   56.883   33.231   16.948   46.768   64.905   19.174   53.081   21.864 11.82403 29.08042 
1 1 1  -18   17   32 o  161.447   12.028  335.131   48.144  310.971   63.936  366.769   73.164  153.310   16.986  166.120   17.921 -12.80994 24.69154 
1 1 1  -18   17   33 o   59.616   17.186   47.896   26.990   33.032   32.677   79.806   47.880   53.213   19.202   75.743   23.163 -22.52928 30.08707 
1 1 1  -18   17   34 o  166.897   17.895  372.034   73.420  558.367  203.596  344.180   78.716  176.343   45.818  159.031   20.283 17.31274 50.10677 
1 1 1  -18   17   35 o   38.631   16.335   3.7767   27.142   3.7767   27.142   0.0000   0.0000   38.631   16.335  ?   ?  0.000000 16.33491 
1 1 1  -18   17   36 o   59.746   23.024   38.782   48.540 -108.3181  180.855   50.200   50.389   73.516   35.115   64.064   23.727 9.451744 42.37991 
1 1 1  -18   17   37 o   44.591   19.774  -7.2438   43.811   53.536  190.173 -10.6504   45.022   88.185   39.979   44.413   19.848 43.77204 44.63478 
1 1 1  -18   17   38 o   76.977   24.343   86.453   52.404 -93.7740  210.711   98.335   54.103   77.510   37.256   81.569   24.552 -4.058983 44.61858 
1 1 1  -18   18    1 o   44.984   17.943   14.668   30.353   18.115   38.214   8.7770   49.962   50.092   20.080   52.654   22.208 -2.562790 29.93966 
1 1 1  -18   18    2 o   70.552   18.467   67.004   32.916   62.333   41.660   74.766   53.701   68.823   21.698   75.420   24.714 -6.596344 32.88741 
1 1 1  -18   18    3 o   76.322   18.036   78.245   33.829   59.902   43.112  107.636   54.571   68.087   22.136   88.498   24.061 -20.41034 32.69402 
1 1 1  -18   18    4 o   91.276   15.965  109.697   35.064   98.691   44.312  128.133   57.350   85.314   20.952   96.595   23.905 -11.28101 31.78731 
1 1 1  -18   18    5 o  257.548   11.983  840.247   77.069  937.862  104.136  722.038  114.596  270.393   15.487  235.174   19.695 35.21939 25.05436 
1 1 1  -18   18    6 o  260.824   11.905  861.092   77.539  902.395  104.832  811.203  115.215  265.159   15.906  250.114   18.579 15.04422 24.45779 
1 1 1  -18   18    7 o  158.318   11.927  318.841   46.808  328.374   61.170  305.375   72.706  159.673   15.538  152.584   19.530 7.088989 24.95667 
1 1 1  -18   18    8 o  110.350   14.320  157.302   38.531  145.813   49.790  174.456   60.837  104.660   19.775  113.947   22.178 -9.286812 29.71436 
1 1 1  -18   18    9 o  221.088   11.699  619.372   64.359  605.907   86.236  636.302   96.696  217.287   16.006  222.089   17.579 -4.801956 23.77390 
1 1 1  -18   18   10 o  117.012   14.005  176.205   40.111  145.863   51.779  221.737   63.429  104.525   20.570  129.593   20.264 -25.06783 28.87443 
1 1 1  -18   18   11 o  250.994   17.295  810.205  107.742  737.380  133.784  944.610  181.748  236.806   22.910  265.231   27.857 -28.42525 36.06742 
1 1 1  -18   18   12 o  178.024   20.628  414.755   90.004  414.755   90.004   0.0000   0.0000  178.024   20.628  ?   ?  0.000000 20.62780 
1 1 1  -18   18   13 o  213.519   17.254  586.970   91.213  583.578  109.741  594.549  164.047  211.353   21.074  207.195   32.798 4.157257 38.98444 
1 1 1  -18   18   14 o  182.020   17.358  427.661   77.942  418.004   90.844  454.600  151.734  178.705   20.743  179.405   35.126 -0.6998749 40.79315 
1 1 1  -18   18   15 o  234.073   16.180  702.305   93.997  525.068  110.053  1180.28  180.730  199.774   22.449  299.188   24.402 -99.41370 33.15779 
1 1 1  -18   18   16 o  189.318   16.445  461.005   76.973  370.925   87.751  761.595  160.298  167.919   21.414  238.182   27.453 -70.26312 34.81737 
1 1 1  -18   18   17 o  254.383   16.908  831.337  106.796  709.681  128.338  1105.27  192.579  232.482   22.383  287.452   27.150 -54.96948 35.18676 
1 1 1  -18   18   18 o  274.592   17.403  970.233  118.714  851.606  145.474  1206.71  205.395  254.287   23.163  299.803   27.750 -45.51546 36.14663 
1 1 1  -18   18   19 o  363.476   18.915  1707.41  171.090  1432.78  218.280  2144.93  275.509  327.212   26.953  399.920   27.759 -72.70776 38.69206 
1 1 1  -18   18   20 o  262.459   17.848  889.536  116.284  845.470  141.242  982.243  204.866  253.368   22.560  267.130   31.305 -13.76192 38.58646 
1 1 1  -18   18   21 o  244.084   17.525  769.732  106.107  720.381  126.480  886.986  194.958  233.899   21.910  253.163   31.521 -19.26390 38.38757 
1 1 1  -18   18   22 o  116.004   19.438  178.627   54.315  177.729   58.275  184.569  149.904  115.158   21.040  114.941   41.168 0.2170105 46.23267 
1 1 1  -18   18   23 o  175.950   17.566  402.816   76.151  409.175   85.985  379.689  163.976  176.374   19.869  157.744   41.184 18.63062 45.72596 
1 1 1  -18   18   24 o  376.329   19.443  1847.86  182.097  1549.10  231.197  2336.04  295.540  337.103   27.710  412.886   28.845 -75.78271 39.99830 
1 1 1  -18   18   25 o  187.160   14.836  451.418   68.774  392.062   74.471  795.420  179.282  173.305   17.445  237.910   30.907 -64.60509 35.49028 
1 1 1  -18   18   26 o  190.639   12.179  464.082   57.676  477.110   77.502  447.913   86.344  191.629   16.352  184.374   19.027 7.254730 25.08828 
1 1 1  -18   18   27 o  181.497   12.339  421.580   55.591  400.554   74.593  447.845   83.371  174.850   17.311  184.451   18.344 -9.600983 25.22231 
1 1 1  -18   18   28 o  167.038   12.302  357.764   50.955  384.091   68.188  324.474   76.678  171.544   16.106  155.629   20.207 15.91476 25.84061 
1 1 1  -18   18   29 o   95.744   14.892  120.820   34.448  130.959   44.310  105.329   54.769   98.400   18.716   86.594   24.324 11.80637 30.69128 
1 1 1  -18   18   30 o  172.556   12.295  382.634   52.633  389.582   70.725  374.010   78.796  172.122   16.663  167.256   19.215 4.866272 25.43332 
1 1 1  -18   18   31 o   67.940   17.394   62.828   29.636   72.702   36.580   43.968   50.557   72.688   19.673   62.747   23.661 9.941620 30.77132 
1 1 1  -18   18   32 o  296.933   12.612  1131.97   93.517  1128.35  129.047  1135.97  135.711  292.081   17.777  292.209   18.696 -0.1280823 25.79883 
1 1 1  -18   18   33 o  119.316   13.852  186.262   40.504  197.586   53.121  170.536   62.603  121.069   18.128  109.657   23.564 11.41193 29.73005 
1 1 1  -18   18   34 o  204.017   13.207  539.484   66.924  562.201   91.336  513.151   98.339  205.124   18.013  193.979   20.617 11.14508 27.37799 
1 1 1  -18   18   35 o   36.329   15.443   2.3193   24.468 -10.5309   28.929   34.621   45.866   35.275   15.827   57.647   22.334 -22.37223 27.37359 
1 1 1  -18   18   36 o  164.488   20.478  373.421   82.293  536.314  221.028  347.207   88.668  160.160   49.897  156.337   23.434 3.823868 55.12633 
1 1 1  -18   18   37 o  142.271   13.735  266.304   48.191  243.433   61.574  302.462   77.421  132.915   19.100  146.395   21.847 -13.48033 29.01877 
1 1 1  -18   18   38 o   71.916   24.481   73.750   52.616   85.696  204.920   72.907   54.441   90.423   41.189   71.737   24.884 18.68595 48.12169 
1 1 1  -18   19    1 o  164.045   12.005  345.111   48.835  343.542   63.287  347.422   76.778  162.113   15.835  161.246   19.461 0.8665924 25.08977 
1 1 1  -18   19    2 o   51.448   20.505   20.756   39.615   77.067   56.768 -32.6968   55.309   76.100   25.431   46.025   21.128 30.07476 33.06232 
1 1 1  -18   19    3 o   82.544   21.619   93.665   45.094  117.211   64.073   70.556   63.475   91.344   26.523   75.103   26.800 16.24068 37.70554 
1 1 1  -18   19    4 o   72.781   18.391   71.566   33.439   85.014   42.952   50.874   53.279   78.898   21.302   66.572   24.443 12.32610 32.42282 
1 1 1  -18   19    5 o   98.289   15.395  126.771   36.545  142.872   46.593  101.031   58.912  103.387   18.737   85.702   25.580 17.68490 31.70789 
1 1 1  -18   19    6 o  163.314   12.043  340.336   48.768  320.227   63.149  370.048   76.763  156.973   16.350  167.923   18.619 -10.94987 24.77898 
1 1 1  -18   19    7 o  118.400   13.564  180.777   39.380  165.982   50.500  203.732   62.905  111.794   18.753  123.205   21.211 -11.41074 28.31254 
1 1 1  -18   19    8 o   57.961   19.182   41.978   32.321   48.294   40.669   31.151   53.249   62.779   21.522   60.609   23.894 2.170101 32.15807 
1 1 1  -18   19    9 o   82.447   17.286   90.555   34.453   81.571   43.909  104.946   55.573   77.749   21.758   87.609   24.464 -9.859917 32.73996 
1 1 1  -18   19   10 o   58.712   22.176   34.665   44.457  125.975   84.110  -0.7354   52.371   95.978   30.892   51.700   22.295 44.27833 38.09703 
1 1 1  -18   19   11 o  171.936   15.581  380.876   66.169  380.876   66.169   0.0000   0.0000  171.936   15.581  ?   ?  0.000000 15.58055 
1 1 1  -18   19   12 o  153.268   12.221  299.410   46.385  282.680   60.464  323.338   72.311  147.595   16.699  157.222   18.790 -9.626831 25.13803 
1 1 1  -18   19   13 o   46.477   17.939   18.887   29.504   2.5734   36.620   49.068   49.809   44.513   18.906   65.582   23.701 -21.06876 30.31800 
1 1 1  -18   19   14 o  203.244   11.657  524.223   58.916  510.529   78.261  542.136   89.507  199.203   15.864  204.592   17.693 -5.389343 23.76403 
1 1 1  -18   19   15 o  180.161   12.065  412.771   53.967  415.204   71.246  409.496   82.663  179.451   16.069  177.112   18.986 2.338562 24.87336 
1 1 1  -18   19   16 o  295.396   12.087  1105.13   89.160  1058.86  119.929  1162.30  133.311  286.804   16.819  299.951   17.879 -13.14725 24.54645 
1 1 1  -18   19   17 o   88.265   16.842  103.092   35.768   86.600   44.271  134.092   60.697   80.064   21.631   98.824   24.672 -18.75980 32.81163 
1 1 1  -18   19   18 o   78.506   18.131   82.517   34.828   78.642   43.174   89.738   58.936   76.470   21.637   81.989   25.802 -5.519745 33.67363 
1 1 1  -18   19   19 o  162.120   15.236  338.793   60.959  336.704   66.065  350.760  158.148  161.128   16.660  152.119   40.793 9.008850 44.06417 
1 1 1  -18   19   20 o  146.163   15.301  276.141   55.020  238.019   58.367  580.226  164.845  134.772   17.777  201.741   33.925 -66.96910 38.30067 
1 1 1  -18   19   21 o  153.038   12.389  299.225   46.942  253.762   60.006  370.924   75.357  139.191   17.661  168.431   18.206 -29.23909 25.36481 
1 1 1  -18   19   22 o  141.264   13.350  256.374   46.537  241.580   60.255  278.247   73.264  135.445   18.282  144.431   20.923 -8.986267 27.78443 
1 1 1  -18   19   23 o  219.742   12.242  615.541   66.908  582.925   89.449  656.968  100.810  211.791   17.058  224.344   18.150 -12.55365 24.90737 
1 1 1  -18   19   24 o  341.127   13.058  1484.18  111.239  1488.97  152.941  1478.79  162.088  337.925   18.191  335.783   19.413 2.142731 26.60418 
1 1 1  -18   19   25 o  236.988   12.072  716.560   71.203  683.864   95.889  756.747  106.308  229.186   16.873  240.586   17.822 -11.39964 24.54193 
1 1 1  -18   19   26 o  121.779   13.768  192.299   41.135  209.409   53.976  168.596   63.532  125.713   17.683  110.100   23.801 15.61230 29.65069 
1 1 1  -18   19   27 o  228.769   11.978  669.065   68.191  607.007   91.875  745.186  101.753  215.193   17.242  238.583   17.194 -23.38963 24.34974 
1 1 1  -18   19   28 o   95.086   15.111  119.464   34.681  122.283   44.063  114.876   56.219   94.751   19.279   90.205   24.378 4.545609 31.07985 
1 1 1  -18   19   29 o   99.756   14.568  130.968   35.220  120.359   44.716  148.306   57.163   93.692   19.735  102.934   22.836 -9.242714 30.18224 
1 1 1  -18   19   30 o  121.254   13.357  191.266   39.774  189.717   51.273  193.608   63.026  118.969   17.806  118.108   22.184 0.8607483 28.44597 
1 1 1  -18   19   31 o   47.428   17.139   25.574   26.045   27.661   31.223   20.799   47.222   50.340   18.671   54.162   22.099 -3.821571 28.93044 
1 1 1  -18   19   32 o  172.254   12.340  382.781   52.727  342.391   70.176  435.141   79.901  160.085   17.859  180.594   17.955 -20.50989 25.32464 
1 1 1  -18   19   33 o  252.207   14.327  828.445   89.859  853.302  133.959  808.111  121.161  249.463   21.721  244.355   20.032 5.107819 29.54766 
1 1 1  -18   19   34 o   70.605   17.394   68.576   30.467   57.091   36.216   96.389   56.359   64.670   20.206   81.754   25.151 -17.08407 32.26242 
1 1 1  -18   19   35 o   90.800   24.751  120.898   57.659   75.092  176.467  126.372   61.008   89.811   39.764   92.474   25.564 -2.663033 47.27271 
1 1 1  -18   19   36 o  186.164   19.977  477.163   91.419  543.485  215.132  462.548  100.990  161.163   49.059  180.739   22.889 -19.57567 54.13552 
1 1 1  -18   19   37 o  115.980   14.446  179.072   40.932  181.273   52.744  175.739   64.900  114.143   19.185  109.028   24.442 5.115265 31.07171 
1 1 1  -18   20    1 o   65.291   18.923   58.220   32.642   79.496   41.169   22.203   53.565   75.503   21.047   56.865   23.408 18.63811 31.47808 
1 1 1  -18   20    2 o  126.480   13.273  207.862   41.296  216.322   52.770  194.494   66.333  127.525   16.994  117.737   23.386 9.788200 28.90827 
1 1 1  -18   20    3 o   98.379   15.342  128.070   36.461  109.839   46.269  157.938   59.224   88.983   21.136  106.276   22.984 -17.29340 31.22530 
1 1 1  -18   20    4 o   76.792   18.981   80.586   36.191   85.717   44.132   70.050   63.244   78.736   21.733   74.411   26.730 4.325272 34.45063 
1 1 1  -18   20    5 o  145.093   16.842  276.842   59.886  396.778   87.795  172.484   81.895  171.884   20.883  108.889   29.421 62.99491 36.07914 
1 1 1  -18   20    6 o  111.510   19.179  167.029   51.481  222.752   76.205  120.248   69.823  126.436   25.021   92.246   27.920 34.19041 37.49111 
1 1 1  -18   20    7 o  165.561   12.210  350.784   50.124  379.025   65.328  310.363   78.156  170.905   15.475  152.024   21.161 18.88097 26.21565 
1 1 1  -18   20    8 o   52.057   18.955   29.926   31.943   24.380   39.893   39.835   53.325   52.994   20.746   62.954   24.165 -9.960438 31.84921 
1 1 1  -18   20    9 o  218.004   12.069  605.821   65.449  634.475   87.421  569.277   98.725  221.466   15.913  208.068   19.218 13.39789 24.95118 
1 1 1  -18   20   10 o  136.328   15.629  241.676   52.245  242.229   56.289  238.237  140.370  136.023   16.938  125.073   39.872 10.95011 43.32029 
1 1 1  -18   20   11 o  265.490   12.307  895.742   81.591  1001.48  110.153  767.215  121.445  278.689   15.894  241.352   20.340 37.33723 25.81314 
1 1 1  -18   20   12 o  170.916   12.231  372.839   51.860  417.991   68.123  310.604   79.977  179.950   15.305  152.400   21.621 27.55003 26.49018 
1 1 1  -18   20   13 o  177.220   11.792  400.043   51.889  376.759   67.946  432.622   80.373  170.492   16.152  182.055   17.911 -11.56358 24.11791 
1 1 1  -18   20   14 o  114.649   13.909  169.999   39.005  136.643   49.749  223.217   62.839  100.608   20.498  129.462   20.088 -28.85368 28.70008 
1 1 1  -18   20   15 o   52.971   18.581   32.822   30.396   25.405   37.381   47.297   52.222   52.482   20.211   65.337   24.163 -12.85429 31.50159 
1 1 1  -18   20   16 o  108.271   14.567  152.375   38.386  159.787   49.146  140.779   61.471  109.636   18.617  100.875   24.619 8.760826 30.86551 
1 1 1  -18   20   17 o   77.933   17.943   81.584   34.197   75.382   42.852   92.461   56.750   74.774   21.684   82.509   25.214 -7.735207 33.25593 
1 1 1  -18   20   18 o   88.078   16.647  102.985   35.272  122.021   44.954   72.495   56.892   95.180   19.567   75.087   25.457 20.09232 32.10826 
1 1 1  -18   20   19 o  215.096   11.709  588.758   62.657  562.921   83.049  622.896   95.462  208.585   16.068  218.713   17.628 -10.12807 23.85215 
1 1 1  -18   20   20 o  227.788   11.985  660.956   67.935  601.610   90.595  737.201  102.685  215.139   17.001  238.061   17.393 -22.92114 24.32247 
1 1 1  -18   20   21 o   49.964   18.246   27.178   29.629   44.179   36.399  -6.2112   51.010   59.746   20.362   49.459   21.657 10.28620 29.72552 
1 1 1  -18   20   22 o  198.746   11.801  503.814   58.307  473.751   77.131  543.904   89.069  190.868   16.340  203.935   17.664 -13.06642 24.06288 
1 1 1  -18   20   23 o  130.151   13.589  218.954   43.513  212.333   56.185  228.877   68.783  126.430   18.330  129.735   22.018 -3.305046 28.64954 
1 1 1  -18   20   24 o  143.604   12.799  265.389   45.417  265.586   59.242  265.108   70.735  142.064   17.039  140.228   20.833 1.836014 26.91367 
1 1 1  -18   20   25 o  100.258   15.081  132.296   36.588  118.665   46.865  153.574   58.552   92.938   20.721  105.118   22.949 -12.17971 30.91989 
1 1 1  -18   20   26 o   60.787   18.148   49.332   29.650   49.557   36.784   48.913   50.097   61.887   20.463   64.576   23.703 -2.688229 31.31377 
1 1 1  -18   20   27 o  198.765   12.119  506.806   59.864  492.968   79.779  524.638   90.565  193.760   16.650  198.839   18.450 -5.079605 24.85161 
1 1 1  -18   20   28 o  125.546   13.425  204.896   41.437  205.561   53.767  203.923   65.026  123.922   17.893  121.293   22.290 2.629082 28.58325 
1 1 1  -18   20   29 o  142.708   13.179  264.098   46.436  290.004   60.972  228.320   71.654  147.947   16.802  127.730   23.324 20.21667 28.74529 
1 1 1  -18   20   30 o  121.054   14.119  191.911   41.880  211.472   54.809  164.466   64.922  125.416   18.018  107.091   24.770 18.32476 30.62968 
1 1 1  -18   20   31 o   69.231   17.223   65.563   29.655   54.816   36.125   87.767   51.926   63.797   20.215   78.800   24.125 -15.00286 31.47519 
1 1 1  -18   20   32 o   90.977   23.573  118.772   53.991  235.758  157.283  103.146   57.484  116.139   42.094   84.527   25.277 31.61139 49.10047 
1 1 1  -18   20   33 o  241.081   17.697  776.218  105.797  776.218  105.797   0.0000   0.0000  241.081   17.697  ?   ?  0.000000 17.69720 
1 1 1  -18   20   34 o   90.436   23.961  119.050   54.978  191.648  183.557  111.896   57.623  105.830   43.420   87.323   25.094 18.50665 50.14968 
1 1 1  -18   20   35 o  112.210   24.239  183.673   65.936  373.667  201.982  161.011   69.757  132.659   47.758  103.309   26.808 29.34953 54.76745 
1 1 1  -18   20   36 o  100.773   24.695  150.904   61.660  198.415  187.947  145.173   65.273  103.831   43.388   97.921   26.186 5.910339 50.67731 
1 1 1  -18   20   37 o  128.749   14.142  220.225   44.717  191.322   57.493  264.487   71.147  116.168   20.572  136.168   21.648 -19.99993 29.86349 
1 1 1  -18   21    1 f  141.212   12.831  260.074   44.751  287.963   57.348  216.650   71.561  147.044   15.870  122.353   24.278 24.69097 29.00480 
1 1 1  -18   21    2 o   36.548   16.212  -7.2573   29.470 -29.3853   35.994   37.738   51.326   35.477   16.547   60.263   23.549 -24.78607 28.78118 
1 1 1  -18   21    3 o  146.282   12.676  277.506   45.847  324.846   58.922  204.863   72.989  157.115   15.208  119.062   25.328 38.05307 29.54286 
1 1 1  -18   21    4 o  185.313   12.178  442.325   56.041  492.778   73.131  370.550   87.226  194.010   15.217  164.111   21.825 29.89821 26.60632 
1 1 1  -18   21    5 o   56.775   19.218   40.894   32.423   40.780   40.393   41.101   54.367   58.731   21.325   62.790   24.319 -4.058804 32.34507 
1 1 1  -18   21    6 o   47.033   18.302   19.890   30.903 -22.4333   38.137  100.815   52.735   38.493   17.624   84.542   23.910 -46.04873 29.70348 
1 1 1  -18   21    7 o  139.035   13.498  250.483   46.273  254.674   56.780  242.193   79.846  138.898   16.705  131.065   25.312 7.833542 30.32771 
1 1 1  -18   21    8 o  114.430   19.494  176.937   53.709  239.122   79.428  124.550   72.902  130.444   25.297   93.181   28.595 37.26303 38.17877 
1 1 1  -18   21    9 o  137.344   25.494  264.126   84.219   0.0000   0.0000  264.126   84.219  ?   ?   137.344   25.494 0.000000 25.49403 
1 1 1  -18   21   10 o   65.360   19.919   57.036   35.452  112.543   42.898 -62.5348   62.962   90.949   19.476   45.048   21.285 45.90067 28.85030 
1 1 1  -18   21   11 o  316.459   13.329  1281.48  105.336  1415.09  144.074  1128.04  154.396  329.198   17.589  290.759   21.415 38.43893 27.71271 
1 1 1  -18   21   12 o  269.833   12.246  927.779   82.514  935.279  110.936  918.491  123.450  268.188   16.647  264.308   18.827 3.879547 25.13100 
1 1 1  -18   21   13 o  123.245   13.667  196.614   41.354  178.897   52.892  224.477   66.329  115.630   18.976  128.768   21.377 -13.13804 28.58442 
1 1 1  -18   21   14 o   74.052   18.471   74.279   34.043   74.075   42.610   74.639   56.604   73.874   21.680   75.422   25.393 -1.548286 33.38952 
1 1 1  -18   21   15 o   43.783   17.585   13.035   29.371   19.232   35.948   0.5892   50.943   49.385   19.580   50.944   21.979 -1.559631 29.43592 
1 1 1  -18   21   16 o   45.592   17.821   17.509   29.401  -3.2510   36.270   57.292   50.209   42.344   18.407   68.012   23.880 -25.66765 30.15031 
1 1 1  -18   21   17 o  160.846   12.316  331.398   49.095  314.975   63.905  355.052   76.692  155.134   16.762  163.724   19.118 -8.589630 25.42593 
1 1 1  -18   21   18 o  134.473   13.338  233.313   44.197  194.438   56.487  294.688   70.974  120.452   19.441  148.737   19.585 -28.28521 27.59600 
1 1 1  -18   21   19 o  278.514   12.330  988.827   85.754  1025.36  115.985  944.779  127.359  280.840   16.612  267.795   19.172 13.04477 25.36763 
1 1 1  -18   21   20 f  128.863   13.711  215.009   43.445  203.908   55.759  232.161   69.308  123.635   18.639  130.527   22.049 -6.892349 28.87177 
1 1 1  -18   21   21 o  107.754   14.752  152.008   38.652  129.022   49.279  188.757   62.310   96.979   20.960  117.320   22.079 -20.34099 30.44329 
1 1 1  -18   21   22 o  231.504   12.060  685.395   69.481  641.032   92.623  742.489  105.074  221.370   16.882  237.717   17.830 -16.34688 24.55478 
1 1 1  -18   21   23 o   73.949   18.014   74.377   32.958   52.415   40.620  116.694   56.385   63.856   21.511   90.968   24.342 -27.11183 32.48518 
1 1 1  -18   21   24 o   74.022   17.936   74.613   32.806   49.736   40.343  123.181   56.369   62.587   21.436   93.385   24.032 -30.79824 32.20284 
1 1 1  -18   21   25 o   93.516   16.119  116.686   36.284  111.448   45.727  125.591   59.618   89.695   20.817   93.842   24.994 -4.147118 32.52731 
1 1 1  -18   21   26 o   54.378   18.419   37.144   29.781   40.023   36.506   31.414   51.495   57.425   20.342   59.008   23.423 -1.582245 31.02318 
1 1 1  -18   21   27 o  132.083   13.739  227.300   44.652  243.876   58.392  203.955   69.295  135.068   17.741  120.205   23.926 14.86309 29.78598 
1 1 1  -18   21   28 o  163.976   12.588  347.353   51.150  385.457   67.657  296.520   78.145  171.060   16.025  146.504   22.043 24.55595 27.25246 
1 1 1  -18   21   29 o  151.507   13.053  297.831   48.902  306.314   64.043  285.968   75.735  151.611   17.221  143.830   21.767 7.781418 27.75527 
1 1 1  -18   21   30 f   83.636   16.663   94.870   33.579   89.371   41.657  105.073   56.740   79.842   20.716   85.357   25.009 -5.515068 32.47426 
1 1 1  -18   21   31 o   58.636   18.205   46.134   29.452   28.943   35.308   85.450   53.396   52.140   19.747   77.633   24.575 -25.49308 31.52525 
1 1 1  -18   21   32 o   81.519   17.511   91.255   34.583   94.030   43.439   86.452   57.151   81.499   21.158   77.924   25.494 3.574516 33.12977 
1 1 1  -18   21   33 o   93.632   24.123  127.963   56.751   95.725  163.542  132.376   60.511   90.852   39.288   94.752   25.154 -3.900726 46.65037 
1 1 1  -18   21   34 o   60.386   23.510   39.682   51.012   38.012  170.097   39.847   53.473   83.783   37.912   61.096   23.989 22.68739 44.86456 
1 1 1  -18   21   35 o   79.709   25.377   93.752   56.878  330.613  188.009   69.890   59.674  125.012   45.914   71.488   25.926 53.52432 52.72778 
1 1 1  -18   21   36 o  117.582   14.140  183.962   40.685  154.900   51.439  232.522   66.492  104.371   20.468  127.581   21.644 -23.21030 29.78896 
1 1 1  -18   22    1 o   77.348   25.700   88.592   57.998   90.668   63.988   79.034  137.298   78.163   26.985   82.852   35.913 -4.689461 44.92169 
1 1 1  -18   22    2 o   46.176   20.441  -5.3595   46.615   3.6735   50.136 -62.9630  126.609   49.854   21.656   64.320   30.327 -14.46608 37.26515 
1 1 1  -18   22    3 o  123.089   13.667  199.656   41.300  217.896   52.222  169.196   67.483  126.977   16.888  106.541   25.668 20.43617 30.72569 
1 1 1  -18   22    4 o   40.885   17.378   4.1103   30.982  -1.9612   38.433   15.378   52.356   43.196   18.859   54.018   22.756 -10.82114 29.55469 
1 1 1  -18   22    5 o   73.390   18.587   74.828   34.101   80.027   43.062   66.087   55.843   75.227   21.715   70.531   25.141 4.696739 33.22026 
1 1 1  -18   22    6 o   63.436   19.192   54.896   32.997   44.928   41.294   72.503   54.881   60.248   21.604   72.896   25.001 -12.64828 33.04222 
1 1 1  -18   22    7 o   56.879   19.141   41.588   32.162   64.726   39.805  -1.9239   54.585   68.628   21.141   51.215   22.415 17.41301 30.81183 
1 1 1  -18   22    8 o   71.085   25.199   65.839   56.029   0.0000   0.0000   65.839   56.029  ?   ?    71.085   25.199 0.000000 25.19941 
1 1 1  -18   22    9 o  152.568   16.242  307.151   60.929  307.151   60.929   0.0000   0.0000  152.568   16.242  ?   ?  0.000000 16.24208 
1 1 1  -18   22   10 o   52.267   19.045   31.069   32.257   24.042   39.941   44.248   54.700   52.403   20.683   63.931   24.490 -11.52857 32.05559 
1 1 1  -18   22   11 o  149.628   17.453  297.059   63.988  371.416   96.491  238.688   85.491  163.276   24.415  128.533   27.468 34.74239 36.75047 
1 1 1  -18   22   12 o   68.054   23.154   60.348   47.065  137.192   75.454   11.410   60.214   96.968   28.951   56.992   24.225 39.97573 37.74946 
1 1 1  -18   22   13 o   46.364   20.096  -1.0557   42.985 -38.1944   70.794   20.633   54.100   51.878   23.847   57.032   23.506 -5.153915 33.48437 
1 1 1  -18   22   14 o  134.675   13.404  234.987   44.479  262.412   57.575  194.390   70.049  141.054   16.668  117.471   24.665 23.58351 29.76838 
1 1 1  -18   22   15 o  120.423   13.859  188.736   40.916  186.980   52.065  191.573   66.163  118.167   18.231  117.252   23.416 0.9150925 29.67626 
1 1 1  -18   22   16 o   35.729   15.936  -9.6381   28.870 -49.6189   34.810   78.451   51.671   31.329   15.080   75.818   24.193 -44.48997 28.50773 
1 1 1  -18   22   17 o  110.263   14.699  159.398   39.464  172.522   50.665  139.150   62.931  113.286   18.551   98.863   25.365 14.42358 31.42550 
1 1 1  -18   22   18 o  162.422   12.681  339.655   51.028  346.075   66.638  330.555   79.341  162.205   16.690  156.338   20.842 5.866882 26.70084 
1 1 1  -18   22   19 o  237.460   12.339  723.019   72.917  697.064   96.691  757.243  111.031  230.518   16.915  239.012   18.753 -8.493347 25.25468 
1 1 1  -18   22   20 o   73.893   18.690   74.717   34.512  112.355   43.691   12.265   56.280   90.428   19.889   55.678   23.531 34.74993 30.81044 
1 1 1  -18   22   21 o  157.858   12.601  321.209   49.261  284.170   63.749  376.107   77.611  146.139   17.839  167.811   18.846 -21.67169 25.95000 
1 1 1  -18   22   22 o  263.399   12.316  888.617   81.006  858.301  109.114  925.842  120.912  255.337   17.213  264.238   18.440 -8.901062 25.22527 
1 1 1  -18   22   23 o  142.352   12.789  262.129   44.976  236.901   57.649  301.366   71.895  133.146   17.783  149.331   19.765 -16.18425 26.58756 
1 1 1  -18   22   24 o  183.737   11.871  433.806   54.177  357.059   70.181  546.987   85.227  163.946   17.409  203.555   16.920 -39.60983 24.27650 
1 1 1  -18   22   25 o   61.858   18.746   51.619   31.462   77.092   38.753   2.3685   53.885   74.513   20.283   52.011   22.522 22.50138 30.30892 
1 1 1  -18   22   26 f   72.454   18.319   72.265   33.164   75.408   41.037   66.347   56.307   73.579   21.186   71.209   25.260 2.370209 32.96827 
1 1 1  -18   22   27 o  129.612   13.909  219.808   44.313  191.072   56.465  265.889   71.502  118.012   19.866  138.758   21.317 -20.74576 29.13899 
1 1 1  -18   22   28 o   80.722   17.195   88.979   33.599   80.475   41.549  105.048   57.116   75.726   21.156   85.249   25.124 -9.522774 32.84511 
1 1 1  -18   22   29 o  139.605   13.238  254.039   45.600  223.879   59.078  298.490   71.720  128.171   19.036  147.730   19.952 -19.55859 27.57616 
1 1 1  -18   22   30 o   92.594   16.047  115.536   35.759  125.686   44.755   97.618   59.466   95.163   19.489   82.089   25.928 13.07350 32.43597 
1 1 1  -18   22   31 o   47.411   17.859   23.855   28.786   19.819   34.871   32.487   50.999   48.335   19.247   58.423   23.272 -10.08781 30.19993 
1 1 1  -18   22   32 o   93.521   39.003  124.400  151.460  124.400  151.460   0.0000   0.0000   93.521   39.003  ?   ?  0.000000 39.00310 
1 1 1  -18   22   33 o   74.906   25.074   80.238   55.188   18.567  169.871   87.515   58.353   81.387   37.237   77.665   25.777 3.722626 45.28887 
1 1 1  -18   22   34 o  121.182   22.563  211.261   65.767  529.772  178.967  161.533   70.715  168.247   42.564  102.615   27.169 65.63202 50.49622 
1 1 1  -18   22   35 o   30.910   14.081 -12.6243   23.959 -13.9833   27.520  -8.3684   48.701   33.125   15.091   46.304   20.672 -13.17924 25.59395 
1 1 1  -18   23    1 o  101.529   25.633  160.237   64.998  172.150   72.266  109.790  148.711  103.819   27.454   85.565   37.233 18.25409 46.26016 
1 1 1  -18   23    2 o   41.019   19.090 -31.0331   47.490 -24.0297   50.752 -80.3243  134.642   43.845   20.168   63.148   30.201 -19.30342 36.31562 
1 1 1  -18   23    3 o   46.975   20.753  -2.9515   47.809 -19.5045   51.352  104.744  130.983   45.115   20.577   85.490   36.002 -40.37508 41.46745 
1 1 1  -18   23    4 o   44.613   20.142 -14.1748   47.696 -12.8814   50.836 -23.6849  137.849   46.335   20.868   70.243   32.636 -23.90863 38.73748 
1 1 1  -18   23    5 o  120.709   16.923  198.039   49.608  148.702   71.997  242.635   68.451   97.862   28.028  130.612   21.752 -32.75043 35.47841 
1 1 1  -18   23    6 o   86.258   17.400  102.627   36.188  133.395   45.484   49.559   59.735   97.681   19.331   65.377   25.444 32.30388 31.95443 
1 1 1  -18   23    7 o   55.559   21.286   33.545   41.326   36.271   63.687   31.562   54.313   62.950   25.672   58.971   23.833 3.978382 35.02955 
1 1 1  -18   23    8 o   77.848   20.818   85.853   41.255   90.255   43.106   37.857  142.332   79.663   21.269   80.383   35.645 -0.7194290 41.50800 
1 1 1  -18   23    9 o  124.085   13.931  202.378   42.421  211.973   53.535  186.188   69.539  125.240   17.604  112.895   25.294 12.34555 30.81656 
1 1 1  -18   23   10 o   49.102   18.673   24.911   31.656   34.771   39.267   6.6045   53.504   55.684   20.882   52.540   22.596 3.144497 30.76723 
1 1 1  -18   23   11 o  130.904   13.529  223.876   43.588  185.291   55.286  287.251   70.855  116.097   19.779  144.871   20.129 -28.77390 28.22052 
1 1 1  -18   23   12 o  191.620   11.934  472.870   56.822  475.983   73.897  468.367   88.876  190.165   15.702  186.169   19.402 3.996140 24.95998 
1 1 1  -18   23   13 o  164.888   12.409  351.253   50.721  380.919   65.555  307.008   80.059  170.132   15.604  148.765   22.233 21.36725 27.16202 
1 1 1  -18   23   14 o   79.231   18.624   86.504   36.227   80.282   45.120   97.792   60.772   75.721   22.335   82.749   26.219 -7.028648 34.44266 
1 1 1  -18   23   15 o   50.150   20.981   11.949   44.021 -23.8257   75.694   30.232   54.113   55.649   25.226   59.295   23.850 -3.645622 34.71587 
1 1 1  -18   23   16 o   59.945   22.820   39.083   47.309   37.982   81.721   39.637   58.019   69.292   28.753   63.224   24.936 6.067787 38.05966 
1 1 1  -18   23   17 o   48.285   20.886   1.1626   46.240 -34.3753   81.234   18.196   56.240   56.091   25.695   56.807   23.736 -0.7157822 34.98057 
1 1 1  -18   23   18 o  120.166   20.848  198.974   60.291  177.141   99.845  211.503   75.638  106.758   33.582  121.161   25.791 -14.40285 42.34260 
1 1 1  -18   23   19 o  221.907   17.464  652.970   95.995  766.632  152.481  578.344  123.553  231.829   26.835  202.845   24.915 28.98343 36.61808 
1 1 1  -18   23   20 o  145.706   13.545  276.293   48.720  272.610   62.903  281.815   77.021  142.534   18.079  142.447   22.391 0.8724976E-01 28.77877 
1 1 1  -18   23   21 o  135.322   13.683  238.899   45.602  220.088   58.548  267.912   72.713  127.376   18.987  139.232   21.614 -11.85585 28.76895 
1 1 1  -18   23   22 o   92.341   17.013  115.375   37.785   97.069   47.332  147.536   62.737   82.787   22.366  100.964   25.012 -18.17638 33.55392 
1 1 1  -18   23   23 o  150.991   12.770  295.631   47.698  234.947   60.779  392.933   76.962  131.505   19.064  171.092   18.297 -39.58624 26.42365 
1 1 1  -18   23   24 o   60.660   19.465   49.138   33.412   62.652   40.789   21.579   58.247   67.666   21.485   58.137   24.212 9.529697 32.36982 
1 1 1  -18   23   25 f   52.809   18.652   33.977   30.669   24.470   37.107   54.470   54.478   51.099   20.008   66.572   24.668 -15.47355 31.76200 
1 1 1  -18   23   26 o  118.569   14.313  185.240   41.521  125.582   52.153  288.512   68.618   93.806   22.544  145.496   19.367 -51.68946 29.72022 
1 1 1  -18   23   27 o  195.244   12.522  493.495   60.729  456.877   79.231  545.644   94.553  184.843   17.369  200.782   19.088 -15.93910 25.80713 
1 1 1  -18   23   28 o   77.392   18.442   83.138   35.135   58.901   43.164  130.731   60.485   66.061   22.175   94.326   25.200 -28.26485 33.56707 
1 1 1  -18   23   29 o  118.514   24.046  202.715   68.731   82.511  151.742  233.742   77.093   87.820   37.911  126.639   25.264 -38.81892 45.55733 
1 1 1  -18   23   30 o   88.334   25.749  115.817   60.286  -3.8173  152.786  137.878   65.610   76.891   35.230   95.859   26.515 -18.96770 44.09288 
1 1 1  -18   23   31 o   81.509   36.134   48.490  146.160   48.490  146.160   0.0000   0.0000   81.509   36.134  ?   ?  0.000000 36.13366 
1 1 1  -18   23   32 f   63.736   24.087   49.726   52.467 -70.2103  146.833   67.281   56.176   68.329   32.351   70.222   25.196 -1.893532 41.00528 
1 1 1  -18   23   33 o   77.629   18.484   84.805   35.319   84.106   43.629   86.133   60.159   76.209   21.816   76.715   26.177 -0.5059357 34.07601 
1 1 1  -18   23   34 o   41.976   16.769   14.443   26.551   4.3949   30.464   46.192   54.153   40.379   17.199   62.500   24.253 -22.12158 29.73273 
1 1 1  -18   24    1 o   62.736   24.404   51.545   54.932   51.880   59.132   49.435  148.415   63.531   25.137   75.582   34.664 -12.05088 42.81860 
1 1 1  -18   24    2 o   76.794   26.099   92.198   59.801   94.971   65.128   77.299  150.970   77.568   27.199   79.918   35.981 -2.350037 45.10423 
1 1 1  -18   24    3 o   95.808   25.855  144.585   63.292  141.866   69.261  158.350  155.844   93.500   27.697   91.826   39.002 1.673454 47.83552 
1 1 1  -18   24    4 o   68.217   24.908   65.557   55.218   28.998   59.461  294.629  148.840   58.430   24.409  118.532   41.143 -60.10232 47.83869 
1 1 1  -18   24    5 o   84.235   25.710  109.456   59.026   87.005   63.912  239.680  153.923   76.180   26.924  107.800   41.133 -31.61916 49.16071 
1 1 1  -18   24    6 o   39.083   18.476 -43.3354   47.552 -32.5305   50.399 -130.9422  143.510   42.284   19.675   61.477   29.838 -19.19312 35.74123 
1 1 1  -18   24    7 o   75.564   25.126   84.034   55.434   75.976   59.569  136.110  151.435   72.937   25.970   92.165   38.756 -19.22739 46.65255 
1 1 1  -18   24    8 o   79.456   18.770   89.079   36.651   99.933   44.150   65.017   65.738   83.167   21.196   70.523   26.888 12.64374 34.23767 
1 1 1  -18   24    9 o   74.465   18.757   78.098   34.861   83.681   43.177   67.642   59.086   76.192   21.666   70.615   25.769 5.576706 33.66653 
1 1 1  -18   24   10 o   48.932   18.571   25.610   31.269   16.654   38.148   43.948   54.586   48.419   19.822   62.470   24.320 -14.05080 31.37450 
1 1 1  -18   24   11 o   76.796   18.199   82.226   34.366   69.718   42.742  105.102   57.801   70.291   21.949   84.266   25.380 -13.97465 33.55457 
1 1 1  -18   24   12 o  146.665   13.174  281.285   47.734  310.453   61.013  235.263   76.640  152.383   16.286  126.884   25.077 25.49874 29.90134 
1 1 1  -18   24   13 o  155.816   12.747  316.094   49.163  313.868   63.000  319.560   78.621  153.038   16.759  151.331   21.402 1.706985 27.18262 
1 1 1  -18   24   14 o   34.757   15.795 -14.7763   29.910   11.534   36.713 -66.7081   51.580   46.317   19.250   38.221   18.387 8.096729 26.62023 
1 1 1  -18   24   15 o   79.452   18.524   87.692   36.076   48.666   44.894  158.836   60.614   62.262   22.501  104.858   23.705 -42.59671 32.68392 
1 1 1  -18   24   16 o   82.701   18.232   94.568   36.639   81.220   46.229  117.114   60.082   75.621   22.680   89.201   25.621 -13.57947 34.21682 
1 1 1  -18   24   17 o  180.419   12.588  422.034   56.359  396.364   72.680  460.749   89.257  172.151   17.134  183.776   19.760 -11.62463 26.15385 
1 1 1  -18   24   18 o   77.418   19.340   83.729   37.280  101.600   47.004   53.425   61.208   84.377   22.060   67.458   25.891 16.91922 34.01432 
1 1 1  -18   24   19 o  172.193   12.903  385.262   55.080  397.814   71.564  367.021   86.270  172.700   16.807  162.395   21.826 10.30476 27.54722 
1 1 1  -18   24   20 o   60.380   23.514   38.532   51.039   45.721  100.658   36.044   59.216   74.251   31.430   61.997   24.945 12.25395 40.12595 
1 1 1  -18   24   21 o   91.196   24.665  121.527   57.526  131.287  107.795  117.640   68.021   93.033   34.655   88.870   27.680 4.162346 44.35204 
1 1 1  -18   24   22 o   90.393   24.445  119.249   56.507  222.839  111.256   83.236   65.598  116.189   35.260   77.261   27.280 38.92779 44.58084 
1 1 1  -18   24   23 o  161.659   18.841  355.119   74.634  470.560  131.826  300.661   90.543  175.113   31.295  143.375   26.256 31.73735 40.85047 
1 1 1  -18   24   24 o   48.718   21.478  -4.4062   50.948   12.072  113.762  -8.5403   56.981   71.377   31.749   50.455   22.455 20.92150 38.88675 
1 1 1  -18   24   25 o  129.997   21.647  237.218   67.799  284.457  130.335  219.693   79.386  128.405   37.984  121.480   26.881 6.924507 46.53351 
1 1 1  -18   24   26 o   92.999   26.203  129.059   63.456  167.926  151.733  120.821   69.858  100.926   40.161   89.501   28.079 11.42459 49.00348 
1 1 1  -18   24   27 o   78.054   25.578   87.998   57.521  176.853  142.054   70.571   62.909  102.168   39.384   72.585   26.574 29.58332 47.51042 
1 1 1  -18   24   28 o   50.986   21.969   6.4092   50.767  251.018  129.731 -37.8214   55.166  119.044   38.371   44.119   20.547 74.92520 43.52627 
1 1 1  -18   24   29 o   96.175   25.493  138.408   62.215   80.584  136.046  153.699   69.959   84.376   36.152  100.369   27.223 -15.99306 45.25610 
1 1 1  -18   24   30 o  113.323   27.041  195.467   75.456   0.0000   0.0000  195.467   75.456  ?   ?   113.323   27.041 0.000000 27.04091 
1 1 1  -18   24   31 o   93.333   17.170  119.991   38.544   91.922   47.097  176.921   67.074   79.297   22.655  108.672   25.205 -29.37494 33.89065 
1 1 1  -18   24   32 o   90.360   17.053  112.818   37.069  102.684   45.252  133.489   64.629   84.017   21.484   93.063   26.522 -9.046379 34.13194 
1 1 1  -18   24   33 o   54.270   18.466   38.891   29.935   23.356   35.357   78.216   56.255   49.226   19.450   73.208   25.300 -23.98218 31.91261 
1 1 1  -18   24   34 o   59.144   18.861   48.601   31.409   70.428   37.391  -3.7184   57.890   69.808   20.259   50.725   22.599 19.08283 30.35041 
1 1 1  -18   25    3 o  102.466   26.097  169.926   66.959  148.703   73.311  276.722  164.453   93.228   28.686  105.754   41.896 -12.52573 50.77566 
1 1 1  -18   25    4 o   78.685   25.964   98.576   59.234   86.263   64.027  171.700  156.031   74.368   26.872   91.519   38.952 -17.15182 47.32185 
1 1 1  -18   25    5 o   38.945   18.504 -45.8518   48.869 -38.8514   51.671 -105.1951  150.442   41.355   19.461   62.969   30.560 -21.61385 36.23011 
1 1 1  -18   25    6 o   45.832   21.090 -23.1133   55.570   10.475   59.620 -245.4497  153.392   53.917   23.516   55.552   27.680 -1.635162 36.32027 
1 1 1  -18   25    7 f   53.738   22.934   16.528   54.358   16.528   54.358   0.0000   0.0000   53.738   22.934  ?   ?  0.000000 22.93398 
1 1 1  -18   25    8 o   81.645   25.624  102.691   58.167  115.378   62.453   19.662  159.772   85.862   26.486   76.619   35.436 9.243118 44.24061 
1 1 1  -18   25    9 o   81.706   25.174  101.760   56.438   80.256   60.254  255.585  161.154   73.926   26.140  110.312   42.089 -36.38574 49.54553 
1 1 1  -18   25   10 o   51.696   21.690   16.798   47.260   30.806   49.757 -112.3536  151.078   56.554   22.827   64.490   31.135 -7.935753 38.60670 
1 1 1  -18   25   11 o   42.981   18.462   3.8536   35.636  -4.3231   46.936   14.982   54.756   46.338   20.512   54.072   23.046 -7.734417 30.85209 
1 1 1  -18   25   12 o   83.349   18.336   97.557   37.128   92.944   45.843  106.352   63.294   79.744   22.202   83.568   26.788 -3.824287 34.79269 
1 1 1  -18   25   13 o  114.111   14.791  174.186   41.156  198.808   52.083  133.250   67.156  120.279   17.885   92.936   27.202 27.34340 32.55443 
1 1 1  -18   25   14 o   60.511   19.545   50.051   33.646   25.105   41.400   98.586   57.747   52.367   20.932   81.330   25.532 -28.96324 33.01583 
1 1 1  -18   25   15 o   64.248   19.691   57.520   34.583   42.246   42.825   86.149   58.632   58.908   21.863   76.903   25.844 -17.99480 33.85141 
1 1 1  -18   25   16 o  178.052   12.930  414.118   57.099  419.728   73.997  405.863   89.769  176.491   17.000  169.796   21.665 6.694382 27.53855 
1 1 1  -18   25   17 o  180.344   12.752  424.114   57.059  410.108   72.892  446.277   91.694  174.553   16.936  178.879   20.923 -4.326218 26.91780 
1 1 1  -18   25   18 f   41.912   17.699   6.1946   31.799  -0.8822   38.730   20.832   55.701   43.496   18.962   56.346   23.589 -12.85063 30.26571 
1 1 1  -18   25   19 o   48.972   19.016   23.730   33.307   23.811   41.479   23.582   55.886   52.135   20.912   57.146   23.750 -5.011242 31.64515 
1 1 1  -18   25   20 o  176.897   12.947  408.373   56.795  393.756   73.433  430.134   89.598  170.726   17.470  175.825   20.810 -5.099319 27.17111 
1 1 1  -18   25   21 o  104.788   16.238  148.495   41.117  161.061   52.083  127.707   66.988  107.111   20.213   91.657   27.259 15.45377 33.93515 
1 1 1  -18   25   22 o   84.118   18.514   98.736   37.836   93.831   47.020  107.746   63.729   80.507   22.510   84.815   26.847 -4.308121 35.03564 
1 1 1  -18   25   23 o  144.882   13.872  276.391   49.574  288.517   63.952  258.134   78.472  145.601   17.970  133.126   24.508 12.47452 30.39002 
1 1 1  -18   25   24 o  140.895   13.703  261.263   47.604  256.073   60.599  269.627   76.929  136.911   18.174  136.954   23.330 -0.4313660E-01 29.57336 
1 1 1  -18   25   25 o  114.579   15.346  175.882   42.806  166.166   53.656  192.891   70.993  108.537   20.549  113.764   25.607 -5.227402 32.83311 
1 1 1  -18   25   26 o   58.359   19.640   45.309   33.859   62.043   41.089   9.9079   59.763   66.678   21.605   55.058   23.780 11.61941 32.12893 
1 1 1  -18   25   27 o   62.612   19.467   54.333   33.661   42.258   40.499   81.314   60.536   58.320   21.326   75.235   26.232 -16.91470 33.80688 
1 1 1  -18   25   28 o   35.642   15.999  -9.9133   29.598 -24.3005   34.085   34.199   59.684   35.070   16.272   60.734   24.820 -25.66383 29.67829 
1 1 1  -18   25   29 o   35.663   15.903  -7.6801   28.732 -10.6203   33.983  -0.3103   53.802   38.141   17.130   50.252   22.116 -12.11148 27.97467 
1 1 1  -18   25   30 o   48.970   18.563   26.395   31.222   27.038   36.438   24.621   60.563   51.058   19.872   58.269   24.506 -7.210823 31.55091 
1 1 1  -18   25   31 o  136.761   14.240  249.338   47.919  248.412   61.135  250.814   77.165  133.458   18.870  129.486   24.767 3.971832 31.13629 
1 1 1  -18   25   32 o  110.737   15.393  166.395   41.414  137.385   51.138  221.682   70.596   96.787   21.695  121.763   24.071 -24.97688 32.40454 
1 1 1  -18   26    5 o   66.162   31.980 -56.6355  160.588   0.0000   0.0000 -56.6355  160.588  ?   ?    66.162   31.980 0.000000 31.98048 
1 1 1  -18   26    6 o   87.276   26.468  125.279   62.704  104.756   66.997  270.174  178.017   79.610   27.605  102.414   42.462 -22.80386 50.64645 
1 1 1  -18   26    7 o   58.061   23.629   36.459   53.812   26.563   56.850  121.705  166.854   56.249   23.705   84.794   38.029 -28.54536 44.81226 
1 1 1  -18   26    8 o   36.108   17.388 -56.6991   46.411 -57.4579   48.497 -48.4424  159.978   37.057   17.827   68.596   32.836 -31.53917 37.36342 
1 1 1  -18   26    9 o   82.726   26.036  108.362   60.007  108.686   64.323  106.183  166.636   82.394   27.050   84.726   38.001 -2.332352 46.64569 
1 1 1  -18   26   10 o   33.640   16.262 -56.6748   41.555 -62.0818   43.114   14.079  155.960   33.760   16.379   74.549   34.662 -40.78934 38.33722 
1 1 1  -18   26   11 o   63.747   23.818   54.085   50.995   37.520   53.696  206.376  162.816   59.128   23.767   99.859   40.923 -40.73059 47.32381 
1 1 1  -18   26   12 o   64.155   23.801   54.953   50.743   56.901   53.234   35.594  167.842   65.193   24.340   79.076   36.484 -13.88343 43.85738 
1 1 1  -18   26   13 o   68.549   24.152   66.795   51.390   53.426   53.964  197.028  168.426   64.321   24.400   99.558   41.292 -35.23697 47.96223 
1 1 1  -18   26   14 o   77.827   20.733   88.082   41.019   47.781   54.578  140.397   62.183   62.788   24.353   95.522   25.564 -32.73410 35.30731 
1 1 1  -18   26   15 o   43.803   18.079   12.242   32.063   31.877   39.299 -26.8459   55.448   53.695   20.710   45.577   21.008 8.117813 29.49956 
1 1 1  -18   26   16 o   51.794   19.513   30.760   34.367   10.241   42.527   69.380   58.344   48.006   20.381   70.470   25.623 -22.46482 32.74039 
1 1 1  -18   26   17 o   80.340   18.964   91.615   37.435  102.010   46.511   72.495   63.078   83.429   22.007   72.056   26.575 11.37306 34.50439 
1 1 1  -18   26   18 o  119.724   15.548  193.264   45.386  218.024   57.508  152.375   73.903  125.117   19.004   98.116   28.483 27.00057 34.24079 
1 1 1  -18   26   19 o  113.299   15.898  173.808   43.741  187.119   55.212  151.371   71.682  115.239   19.906   98.254   27.907 16.98468 34.27927 
1 1 1  -18   26   20 o   60.034   20.130   48.879   35.570   54.515   43.926   38.145   60.625   63.561   22.334   61.864   25.117 1.697754 33.61101 
1 1 1  -18   26   21 o   95.078   17.756  125.420   40.608  118.227   51.142  137.693   66.805   89.621   22.797   94.350   26.991 -4.728676 35.33050 
1 1 1  -18   26   22 o  137.678   14.399  252.061   48.771  276.337   62.259  213.499   78.466  141.912   17.971  117.839   27.214 24.07346 32.61253 
1 1 1  -18   26   23 o  151.848   13.836  304.839   51.891  266.730   66.174  365.688   83.619  138.128   19.747  160.642   21.375 -22.51419 29.10048 
1 1 1  -18   26   24 o   43.567   18.027   11.384   31.990   26.081   38.435 -21.7534   57.711   51.471   20.297   47.603   21.751 3.868538 29.75061 
1 1 1  -18   26   25 o   76.473   19.114   83.203   36.401   71.806   44.290  106.928   63.902   70.589   22.385   83.530   26.931 -12.94034 35.01951 
1 1 1  -18   26   26 o   48.710   18.647   25.400   31.696   29.588   37.758   15.405   58.327   52.433   20.278   55.341   23.691 -2.907211 31.18430 
1 1 1  -18   26   27 o   51.662   18.946   32.218   31.998   27.556   37.738   44.145   60.355   51.619   20.186   63.108   25.257 -11.48914 32.33279 
1 1 1  -18   26   28 f   66.999   25.144   59.955   56.956 -50.7100  137.765   82.770   62.552   66.636   31.485   74.897   26.618 -8.261726 41.22858 
1 1 1  -18   26   29 o   46.812   19.412   14.533   37.212   14.533   37.212   0.0000   0.0000   46.812   19.412  ?   ?  0.000000 19.41189 
1 1 1  -18   26   30 o   94.838   18.084  126.650   41.264  158.505   50.676   63.968   71.086  105.101   20.040   69.798   27.579 35.30280 34.09079 
1 1 1  -18   26   31 o  106.588   16.245  156.406   41.872  108.314   51.781  247.258   71.171   84.260   23.645  129.186   22.900 -44.92619 32.91650 
1 1 1  -18   27    8 o   51.573   22.412   13.595   53.746  -7.0510   56.526  208.140  173.514   48.225   21.835   92.054   40.134 -43.82909 45.68931 
1 1 1  -18   27    9 o   41.917   19.547 -28.7924   50.186 -42.3531   52.433  119.358  173.306   40.770   19.311   82.994   37.833 -42.22439 42.47690 
1 1 1  -18   27   10 o   98.433   26.192  157.448   65.511  147.168   70.080  228.674  184.464   93.507   27.897   96.442   41.716 -2.935005 50.18401 
1 1 1  -18   27   11 o   69.370   25.033   72.042   55.536   76.179   58.725   37.026  170.849   70.891   25.717   76.453   35.788 -5.561234 44.06997 
1 1 1  -18   27   12 o   74.116   25.397   84.943   56.628   99.075   59.970 -31.3508  172.034   78.977   26.128   71.470   34.169 7.506462 43.01386 
1 1 1  -18   27   13 o   66.522   24.466   62.852   53.412   77.323   56.019 -81.8489  177.143   71.652   25.219   68.991   33.406 2.661797 41.85626 
1 1 1  -18   27   14 o   53.236   21.960   24.447   47.267   26.217   49.189   3.1189  170.746   54.349   22.408   74.976   35.311 -20.62612 41.82090 
1 1 1  -18   27   15 o   71.715   24.705   76.706   53.620  110.210   56.254 -256.1432  177.307   84.186   24.966   59.773   29.779 24.41365 38.86010 
1 1 1  -18   27   16 o   56.254   22.728   31.914   49.382   24.689   51.469  115.643  175.207   54.830   22.791   87.306   39.076 -32.47601 45.23631 
1 1 1  -18   27   17 o   94.299   25.118  137.717   60.207  111.282   62.979  418.346  205.199   84.031   26.698  128.144   47.798 -44.11381 54.74875 
1 1 1  -18   27   18 o   52.459   20.618   28.999   39.533   16.832   51.072   47.186   62.443   52.747   22.361   63.876   25.646 -11.12901 34.02538 
1 1 1  -18   27   19 o   76.708   20.313   85.689   39.525   95.144   48.529   67.060   68.121   79.605   23.073   70.301   27.224 9.304756 35.68645 
1 1 1  -18   27   20 o  193.293   13.210  493.238   63.381  492.619   81.401  494.191  101.009  189.491   17.397  184.620   22.366 4.871460 28.33499 
1 1 1  -18   27   21 o  113.149   16.041  174.874   44.056  167.544   55.453  187.418   72.543  107.266   21.452  109.374   26.776 -2.108215 34.30916 
1 1 1  -18   27   22 o   64.406   20.320   59.083   36.532   73.253   44.813   31.006   63.080   70.710   22.527   60.028   25.114 10.68184 33.73699 
1 1 1  -18   27   23 o  106.258   16.925  156.018   43.402  153.628   54.597  160.122   71.541  102.166   22.047  100.090   27.689 2.075615 35.39406 
1 1 1  -18   27   24 o   49.614   19.032   27.038   33.061   24.135   39.678   33.630   59.795   50.863   20.435   59.747   24.677 -8.884232 32.04029 
1 1 1  -18   27   25 o   48.488   18.984   23.949   33.408   7.9760   39.910   61.344   61.066   45.930   19.628   67.610   25.882 -21.67970 32.48245 
1 1 1  -18   27   26 o   57.792   19.791   45.459   34.387   30.460   41.078   80.585   62.863   53.384   21.005   73.600   26.622 -20.21603 33.91114 
1 1 1  -18   27   27 f   45.335   20.714 -18.4742   52.326 -93.5973  123.700  -2.1023   57.747   58.851   28.352   50.711   22.584 8.140518 36.24754 
1 1 1  -18   27   28 o   56.682   21.214   40.453   40.489   40.569   41.012   35.997  254.250   56.840   21.336   84.649   40.747 -27.80919 45.99490 
1 1 1  -18   27   29 o   49.849   18.944   28.658   32.568   22.146   38.191   46.020   62.357   49.348   19.970   62.963   25.505 -13.61536 32.39320 
1 1 1  -18   27   30 o   95.038   17.327  127.282   39.606  100.540   47.709  186.573   71.040   81.199   22.665  107.946   26.540 -26.74693 34.90081 
1 1 1  -18   28   10 o  108.725   45.346  396.674  204.737   0.0000   0.0000  396.674  204.737  ?   ?   108.725   45.346 0.000000 45.34570 
1 1 1  -18   28   11 o   84.801   26.239  121.189   61.240  122.558   64.744  109.561  188.704   84.553   27.092   80.308   37.599 4.245125 46.34238 
1 1 1  -18   28   12 o   82.154   26.385  112.863   61.384  124.935   64.723   4.8352  193.618   85.811   27.044   73.471   35.415 12.34007 44.56020 
1 1 1  -18   28   13 o   77.135   25.601   96.573   57.558  104.312   60.498   22.685  186.931   79.574   26.239   74.827   35.730 4.746376 44.32983 
1 1 1  -18   28   14 o   50.567   21.704   14.679   49.186   17.079   50.950 -18.1898  188.539   51.761   22.150   72.621   34.990 -20.86012 41.41169 
1 1 1  -18   28   15 o   54.759   22.774   27.554   51.431   25.992   53.360   47.989  193.011   54.889   23.040   78.318   37.084 -23.42957 43.65804 
1 1 1  -18   28   16 o   69.922   25.023   74.118   55.373   81.665   57.968  -4.5881  187.190   72.541   25.641   74.299   35.554 -1.758286 43.83521 
1 1 1  -18   28   17 o   96.488   25.741  149.289   63.169  157.113   66.007   64.101  217.795   98.543   26.324   81.965   38.979 16.57801 47.03487 
1 1 1  -18   28   18 o   56.798   22.885   35.155   49.916   33.866   51.215   59.626  223.110   56.747   23.068   82.310   39.229 -25.56242 45.50880 
1 1 1  -18   28   19 o   42.698   19.487 -16.1875   46.153  -7.5372   47.190 -206.6462  221.428   44.961   20.190   67.732   33.668 -22.77099 39.25809 
1 1 1  -18   28   20 o  111.655   24.371  192.416   66.046  196.449   69.070  149.367  225.683  112.010   25.292   89.639   41.684 22.37156 48.75719 
1 1 1  -18   28   21 o   65.449   23.770   61.102   50.187   64.702   51.385 -13.4209  233.779   66.822   24.085   78.973   38.273 -12.15147 45.22048 
1 1 1  -18   28   22 o   62.886   21.448   56.602   40.386   41.482   48.495   90.815   72.950   58.544   22.886   76.146   28.480 -17.60274 36.53640 
1 1 1  -18   28   23 o   59.247   21.168   48.049   39.608   86.446   50.019 -16.5071   64.858   75.028   23.789   50.272   23.004 24.75604 33.09192 
1 1 1  -18   28   24 o   47.580   19.151   20.920   34.915   21.197   42.379   20.333   61.606   50.396   20.791   56.290   24.228 -5.894569 31.92626 
1 1 1  -18   28   25 o   48.379   19.099   24.042   34.064   36.302   40.687  -4.6952   62.290   54.868   21.097   51.369   23.121 3.498741 31.29956 
1 1 1  -18   28   26 o   63.248   20.556   58.082   37.180   67.659   44.770   36.798   66.744   67.456   22.584   61.170   25.727 6.285614 34.23299 
1 1 1  -18   28   27 o   44.444   18.471   13.513   33.802   0.0621   39.624   49.468   64.783   43.187   18.994   63.714   25.928 -20.52682 32.14061 
1 1 1  -18   28   28 o   58.266   20.226   47.527   35.970   53.265   42.656   33.405   66.917   61.367   21.962   60.146   25.552 1.220848 33.69329 
1 1 1  -18   29   13 o   76.249   36.503   87.384  197.800   0.0000   0.0000   87.384  197.800  ?   ?    76.249   36.503 0.000000 36.50295 
1 1 1  -18   29   14 o   57.359   23.295   40.495   52.166   39.101   53.985   60.146  202.667   57.331   23.537   75.356   36.300 -18.02491 43.26344 
1 1 1  -18   29   15 o   64.559   24.758   62.205   55.940   59.995   58.130   89.892  205.743   64.086   25.056   78.175   37.372 -14.08926 44.99420 
1 1 1  -18   29   16 o   49.568   21.753   9.2135   51.725   19.702   53.037 -194.8884  233.962   52.433   22.522   66.268   33.195 -13.83503 40.11403 
1 1 1  -18   29   17 o   38.036   18.106 -42.7667   47.225 -59.8288   48.318  321.524  223.262   36.178   17.501   98.614   44.126 -62.43629 47.46935 
1 1 1  -18   29   18 o   35.981   17.198 -44.5084   43.523 -39.8074   44.349 -167.2528  226.615   37.132   17.638   67.277   33.541 -30.14520 37.89610 
1 1 1  -18   29   19 o  105.313   25.521  180.441   66.412  167.010   69.019  348.244  243.957   99.538   27.057  100.175   45.360 -0.6376801 52.81678 
1 1 1  -18   29   20 o   70.733   24.852   78.789   54.387   70.234   55.686  255.785  253.286   67.822   24.976   92.410   43.358 -24.58785 50.03746 
1 1 1  -18   29   21 o   57.695   23.064   40.297   50.265   32.711   51.387  208.386  241.899   55.755   22.936   89.533   42.125 -33.77776 47.96411 
1 1 1  -18   29   22 o   55.877   22.356   36.460   47.270   29.834   48.103  222.838  255.117   54.104   22.216   90.358   42.740 -36.25392 48.16884 
1 1 1  -18   29   23 o   73.576   24.653   86.283   53.348   77.447   54.482  291.980  262.868   70.329   24.858   94.886   44.409 -24.55661 50.89239 
1 1 1  -18   29   24 o   38.490   17.823 -21.6705   40.595 -22.6293   41.035   22.329  277.978   38.526   17.867   79.551   39.210 -41.02485 43.08881 
1 1 1  -18   29   25 o   46.066   19.874   9.0717   41.650   7.9024   42.189   53.972  261.441   45.974   19.918   80.158   39.205 -34.18369 43.97424 
1 1 1  -18   30   17 o   52.482   22.516   23.908   52.895   14.087   54.110  235.247  251.005   50.545   22.214   83.394   40.229 -32.84895 45.95500 
1 1 1  -18   30   18 o   60.632   24.015   52.798   54.021   58.530   55.473 -52.4002  237.649   62.478   24.463   69.569   34.630 -7.090580 42.39866 
1 1 1  -18   30   19 o   62.437   24.456   57.933   55.458   50.687   56.779  208.258  258.605   60.497   24.396   82.897   40.193 -22.40002 47.01785 
1 1 1  -17  -36    1 o   30.421   14.420 -18.9519   29.340   0.0000   0.0000 -18.9519   29.340  ?   ?    30.421   14.420 0.000000 14.41994 
1 1 1  -17  -35    1 o   40.605   17.829   10.052   34.789   0.0000   0.0000   10.052   34.789  ?   ?    40.605   17.829 0.000000 17.82944 
1 1 1  -17  -35    2 o   39.629   17.641   7.5211   35.190   0.0000   0.0000   7.5211   35.190  ?   ?    39.629   17.641 0.000000 17.64059 
1 1 1  -17  -35    3 o   53.744   20.876   52.831   40.151   0.0000   0.0000   52.831   40.151  ?   ?    53.744   20.876 0.000000 20.87599 
1 1 1  -17  -34    1 o   81.870   22.976  117.908   48.892   3.3688  162.285  129.342   51.274   61.102   30.086   85.510   23.353 -24.40857 38.08569 
1 1 1  -17  -34    2 o   39.044   17.400   2.6996   34.342   0.0000   0.0000   2.6996   34.342  ?   ?    39.044   17.400 0.000000 17.39999 
1 1 1  -17  -34    3 o   81.566   23.738  125.541   51.273   0.0000   0.0000  125.541   51.273  ?   ?    81.566   23.738 0.000000 23.73803 
1 1 1  -17  -34    4 o   45.978   19.358   26.604   37.856   0.0000   0.0000   26.604   37.856  ?   ?    45.978   19.358 0.000000 19.35805 
1 1 1  -17  -34    5 o   55.109   21.484   56.261   42.644   0.0000   0.0000   56.261   42.644  ?   ?    55.109   21.484 0.000000 21.48413 
1 1 1  -17  -33    1 o   53.629   20.608   40.366   38.806  103.804  153.229   36.019   40.114   72.166   33.817   52.298   20.700 19.86836 39.64939 
1 1 1  -17  -33    2 o   52.357   20.558   37.843   39.267   51.124  157.153   36.959   40.553   66.305   31.947   52.265   20.773 14.03986 38.10680 
1 1 1  -17  -33    3 o   56.532   21.165   50.371   40.310  190.654  165.018   41.469   41.569   75.934   35.422   53.430   21.096 22.50468 41.22863 
1 1 1  -17  -33    4 f   79.725   23.734  116.119   50.767   0.0000   0.0000  116.119   50.767  ?   ?    79.725   23.734 0.000000 23.73445 
1 1 1  -17  -33    5 o   83.402   24.345  132.238   53.856   0.0000   0.0000  132.238   53.856  ?   ?    83.402   24.345 0.000000 24.34488 
1 1 1  -17  -33    6 o   38.004   17.291  -1.6738   35.980   0.0000   0.0000  -1.6738   35.980  ?   ?    38.004   17.291 0.000000 17.29105 
1 1 1  -17  -32    1 o   67.633   32.004   24.586  143.317   24.586  143.317   0.0000   0.0000   67.633   32.004  ?   ?  0.000000 32.00393 
1 1 1  -17  -32    2 o   74.653   22.872   91.666   46.662   24.546  148.012   99.073   49.169   66.946   31.919   77.137   23.448 -10.19092 39.60574 
1 1 1  -17  -32    3 o   40.937   18.135   1.4867   36.751 -145.6537  143.535   11.810   38.019   54.008   26.888   44.251   19.040 9.756287 32.94688 
1 1 1  -17  -32    4 o   55.584   21.342   45.447   41.600 -116.7597  158.184   57.498   43.118   56.657   28.211   60.113   22.001 -3.455597 35.77581 
1 1 1  -17  -32    5 o   86.909   23.933  133.175   53.591   0.0000   0.0000  133.175   53.591  ?   ?    86.909   23.933 0.000000 23.93287 
1 1 1  -17  -32    6 o   57.408   21.963   53.837   43.957   0.0000   0.0000   53.837   43.957  ?   ?    57.408   21.963 0.000000 21.96297 
1 1 1  -17  -32    7 o  122.607   23.713  266.817   69.979   0.0000   0.0000  266.817   69.979  ?   ?   122.607   23.713 0.000000 23.71350 
1 1 1  -17  -31    1 o   94.749   22.689  139.192   52.972 -128.5605  140.074  183.874   57.222   57.698   28.318  110.428   21.524 -52.73023 35.56979 
1 1 1  -17  -31    2 o   86.616   37.520  169.882  149.661  169.882  149.661   0.0000   0.0000   86.616   37.520  ?   ?  0.000000 37.52008 
1 1 1  -17  -31    3 o   66.867   22.480   70.230   44.361  103.235  144.168   66.778   46.623   76.442   34.715   65.423   23.009 11.01903 41.64753 
1 1 1  -17  -31    4 o   67.314   22.644   72.703   45.009   58.813  143.276   74.224   47.409   70.239   32.845   67.720   23.236 2.518677 40.23373 
1 1 1  -17  -31    5 o   96.986   22.699  153.029   54.003   74.837  147.927  165.052   58.006   70.640   33.142   99.834   23.634 -29.19336 40.70516 
1 1 1  -17  -31    6 o   49.513   20.488   26.902   41.325   0.0000   0.0000   26.902   41.325  ?   ?    49.513   20.488 0.000000 20.48790 
1 1 1  -17  -31    7 o   71.533   23.243   89.372   47.538   0.0000   0.0000   89.372   47.538  ?   ?    71.533   23.243 0.000000 23.24339 
1 1 1  -17  -31    8 o   44.770   19.270   16.316   38.976   0.0000   0.0000   16.316   38.976  ?   ?    44.770   19.270 0.000000 19.27035 
1 1 1  -17  -30    1 o  113.742   21.223  189.049   58.062   35.260  136.927  222.765   64.112   74.046   33.705  123.369   21.597 -49.32358 40.03122 
1 1 1  -17  -30    2 o   70.575   22.656   75.125   45.264   52.749  135.426   77.939   48.026   74.716   33.817   71.600   23.367 3.116020 41.10504 
1 1 1  -17  -30    3 o   94.990   38.737  202.838  144.988  202.838  144.988   0.0000   0.0000   94.990   38.737  ?   ?  0.000000 38.73669 
1 1 1  -17  -30    4 o   57.495   21.768   44.508   42.900 -10.2856  138.437   50.329   45.122   66.016   31.301   59.918   22.401 6.097698 38.49113 
1 1 1  -17  -30    5 o   45.924   19.512   13.613   39.030 -121.8365  128.848   27.296   40.954   54.771   26.937   50.771   20.633 3.999187 33.93127 
1 1 1  -17  -30    6 o   44.153   18.923   10.825   37.287   69.568  136.589   6.0949   38.759   71.333   32.911   43.439   18.953 27.89401 37.97852 
1 1 1  -17  -30    7 o   89.663   23.741  134.273   53.997   0.0000   0.0000  134.273   53.997  ?   ?    89.663   23.741 0.000000 23.74135 
1 1 1  -17  -30    8 o   44.283   19.267   10.078   39.813   0.0000   0.0000   10.078   39.813  ?   ?    44.283   19.267 0.000000 19.26685 
1 1 1  -17  -30    9 o   31.592   15.088 -32.1212   33.357   0.0000   0.0000 -32.1212   33.357  ?   ?    31.592   15.088 0.000000 15.08769 
1 1 1  -17  -30   10 o   82.685   24.382  125.300   53.778   0.0000   0.0000  125.300   53.778  ?   ?    82.685   24.382 0.000000 24.38217 
1 1 1  -17  -29    1 o  183.427   18.321  460.723   82.797  426.323  160.259  473.249   96.703  150.108   41.407  182.909   21.588 -32.80106 46.69697 
1 1 1  -17  -29    2 o   71.191   23.249   73.796   47.540 -120.6055  127.892  104.964   51.209   58.493   28.338   83.677   23.526 -25.18343 36.83060 
1 1 1  -17  -29    3 o   42.990   18.863  -0.8650   38.880 -33.3586  127.699   2.4550   40.818   65.451   30.734   44.784   19.497 20.66755 36.39674 
1 1 1  -17  -29    4 o  161.160   19.732  371.103   77.753  335.489  153.230  383.454   90.233  122.729   41.778  160.154   23.241 -37.42477 47.80699 
1 1 1  -17  -29    5 o   42.642   18.946  -3.2469   40.407 -35.9080  119.940   0.9348   42.916   61.775   29.245   44.801   19.734 16.97343 35.28051 
1 1 1  -17  -29    6 o   46.662   19.771   13.737   39.893 -171.2292  123.485   35.290   42.153   51.306   25.441   54.202   21.294 -2.896549 33.17682 
1 1 1  -17  -29    7 o   44.277   19.085   8.6224   38.339 -100.5690  127.824   19.417   40.189   56.181   27.464   48.138   20.085 8.042503 34.02481 
1 1 1  -17  -29    8 o   50.049   20.544   25.776   41.118   0.0000   0.0000   25.776   41.118  ?   ?    50.049   20.544 0.000000 20.54428 
1 1 1  -17  -29    9 o   92.237   24.251  143.139   56.598   0.0000   0.0000  143.139   56.598  ?   ?    92.237   24.251 0.000000 24.25110 
1 1 1  -17  -29   10 o   55.979   21.850   44.976   44.150   0.0000   0.0000   44.976   44.150  ?   ?    55.979   21.850 0.000000 21.84994 
1 1 1  -17  -29   11 o   47.860   20.199   22.805   41.373   0.0000   0.0000   22.805   41.373  ?   ?    47.860   20.199 0.000000 20.19857 
1 1 1  -17  -28    1 o   41.837   18.711 -11.2675   40.093 -43.9939  119.692  -7.1313   42.551   65.876   30.539   44.132   19.534 21.74380 36.25171 
1 1 1  -17  -28    2 o  144.962   22.346  297.137   78.291   0.0000   0.0000  297.137   78.291  ?   ?   144.962   22.346 0.000000 22.34556 
1 1 1  -17  -28    3 o   65.742   23.190   58.313   47.394   84.341  127.102   54.110   51.078   83.254   35.284   64.815   23.912 18.43939 42.62304 
1 1 1  -17  -28    4 o  155.829   18.685  336.072   71.261  365.227  147.298  327.164   81.424  138.342   40.227  150.754   22.302 -12.41119 45.99532 
1 1 1  -17  -28    5 o   76.187   23.601   87.211   49.528   65.729  119.826   91.637   54.391   76.831   33.427   77.620   24.827 -0.7888336 41.63823 
1 1 1  -17  -28    6 o  105.446   23.432  168.951   60.099  120.905  130.194  181.961   67.750   84.834   35.818  107.696   25.573 -22.86137 44.01053 
1 1 1  -17  -28    7 o  105.693   21.666  167.456   55.262  167.714  130.969  167.400   60.954   90.911   36.915  103.675   24.015 -12.76354 44.03932 
1 1 1  -17  -28    8 o   86.165   22.970  116.601   50.326  196.197  135.241  103.807   54.220   93.498   37.670   80.092   24.674 13.40607 45.03209 
1 1 1  -17  -28    9 o  189.978   23.161  559.869  107.602   0.0000   0.0000  559.869  107.602  ?   ?   189.978   23.161 0.000000 23.16063 
1 1 1  -17  -28   10 o   56.103   21.910   41.995   44.409   0.0000   0.0000   41.995   44.409  ?   ?    56.103   21.910 0.000000 21.90963 
1 1 1  -17  -28   11 o   38.617   17.617 -10.6711   37.665   0.0000   0.0000 -10.6711   37.665  ?   ?    38.617   17.617 0.000000 17.61669 
1 1 1  -17  -28   12 f   58.247   22.236   51.502   44.996   0.0000   0.0000   51.502   44.996  ?   ?    58.247   22.236 0.000000 22.23595 
1 1 1  -17  -27    1 o   56.735   22.099   31.179   45.090   2.7175  114.458   36.407   49.057   71.987   31.941   59.763   23.114 12.22338 39.42695 
1 1 1  -17  -27    2 o  195.039   17.915  507.057   86.279  502.414  155.478  509.124  103.713  178.264   36.163  192.467   21.973 -14.20313 42.31516 
1 1 1  -17  -27    3 o  179.377   21.892  445.727   96.026   0.0000   0.0000  445.727   96.026  ?   ?   179.377   21.892 0.000000 21.89164 
1 1 1  -17  -27    4 o   65.157   23.254   55.256   47.787 -125.8063  112.347   95.252   52.802   55.363   26.758   80.983   24.228 -25.61975 36.09657 
1 1 1  -17  -27    5 o  209.051   18.262  594.289   94.377  516.199  162.482  634.049  115.939  172.065   38.747  211.928   22.239 -39.86273 44.67566 
1 1 1  -17  -27    6 o   78.260   24.098   91.012   51.724   24.418  119.036  106.512   57.428   72.086   32.240   83.850   25.308 -11.76373 40.98656 
1 1 1  -17  -27    7 o  133.588   40.443  355.473  146.493  355.473  146.493   0.0000   0.0000  133.588   40.443  ?   ?  0.000000 40.44257 
1 1 1  -17  -27    8 o   54.549   21.575   32.588   43.543   53.026  122.539   29.634   46.583   74.033   32.939   54.484   22.053 19.54895 39.64043 
1 1 1  -17  -27    9 o   81.731   23.394  104.110   50.170  185.466  132.125   90.404   54.232   94.106   37.467   75.735   24.837 18.37019 44.95142 
1 1 1  -17  -27   10 o   40.351   18.187  -8.4317   38.695 -59.7398  131.105  -3.5356   40.500   60.877   29.293   42.376   18.890 18.50033 34.85518 
1 1 1  -17  -27   11 o   88.348   24.716  128.650   56.668   0.0000   0.0000  128.650   56.668  ?   ?    88.348   24.716 0.000000 24.71563 
1 1 1  -17  -27   12 o   43.971   19.353   4.0960   41.198   0.0000   0.0000   4.0960   41.198  ?   ?    43.971   19.353 0.000000 19.35254 
1 1 1  -17  -27   13 o   56.951   22.268   45.684   45.914   0.0000   0.0000   45.684   45.914  ?   ?    56.951   22.268 0.000000 22.26760 
1 1 1  -17  -26    1 o  101.436   22.862  142.647   56.523   43.315  117.943  172.263   64.401   80.590   34.063  111.259   23.893 -30.66914 41.60671 
1 1 1  -17  -26    2 f  226.387   18.274  676.280  102.430  560.250  169.810  742.647  128.426  191.144   36.912  234.377   22.208 -43.23270 43.07750 
1 1 1  -17  -26    3 o  173.365   18.600  400.605   79.264  271.746  141.203  459.893   95.778  128.577   39.853  184.188   21.211 -55.61145 45.14619 
1 1 1  -17  -26    4 o  164.693   22.190  373.795   88.937   0.0000   0.0000  373.795   88.937  ?   ?   164.693   22.190 0.000000 22.18967 
1 1 1  -17  -26    5 o   92.053   22.945  121.124   52.557   57.560  112.740  138.774   59.406   79.232   33.386   97.953   24.382 -18.72034 41.34115 
1 1 1  -17  -26    6 o   66.562   22.982   59.381   46.412 -27.2106  113.873   76.631   50.825   66.075   30.325   73.695   24.038 -7.620796 38.69688 
1 1 1  -17  -26    7 o   57.414   22.047   36.799   44.398  195.389  121.656   12.431   47.688  105.749   37.169   51.124   21.637 54.62519 43.00751 
1 1 1  -17  -26    8 o   86.046   35.440  109.481  122.876  109.481  122.876   0.0000   0.0000   86.046   35.440  ?   ?  0.000000 35.44001 
1 1 1  -17  -26    9 o   47.209   20.311   7.1861   43.257 -43.0652  117.043   15.136   46.554   62.433   29.351   50.686   21.410 11.74670 36.33037 
1 1 1  -17  -26   10 o   60.703   22.561   49.134   45.634 -23.6279  124.477   60.432   49.049   65.003   30.466   65.224   23.528 -0.2215958 38.49326 
1 1 1  -17  -26   11 o  124.387   21.261  229.248   63.667  200.426  142.877  236.389   71.119   95.520   38.637  123.900   23.852 -28.37992 45.40599 
1 1 1  -17  -26   12 f   61.250   23.085   52.801   48.109   0.0000   0.0000   52.801   48.109  ?   ?    61.250   23.085 0.000000 23.08502 
1 1 1  -17  -26   13 o   58.972   23.042   47.131   49.137   0.0000   0.0000   47.131   49.137  ?   ?    58.972   23.042 0.000000 23.04181 
1 1 1  -17  -26   14 o   45.763   20.137   6.2421   44.580   0.0000   0.0000   6.2421   44.580  ?   ?    45.763   20.137 0.000000 20.13659 
1 1 1  -17  -25    1 o  245.629   17.882  785.498  108.930  711.511  172.101  834.949  140.701  224.408   31.585  250.177   22.771 -25.76910 38.93748 
1 1 1  -17  -25    2 o  158.615   18.434  331.409   71.653  329.517  130.041  332.234   85.863  148.535   35.536  156.854   22.571 -8.318924 42.09803 
1 1 1  -17  -25    3 o   90.785   23.768  114.807   54.518  103.977  113.367  118.065   62.180   91.698   35.226   91.647   25.979 0.5146027E-01 43.76954 
1 1 1  -17  -25    4 o   83.960   23.969   98.378   52.739   11.405  106.514  126.625   60.702   72.137   31.448   94.598   25.232 -22.46079 40.31880 
1 1 1  -17  -25    5 o   86.174   25.350  105.223   58.193   0.0000   0.0000  105.223   58.193  ?   ?    86.174   25.350 0.000000 25.34971 
1 1 1  -17  -25    6 o   93.791   22.890  124.475   53.139   34.102  115.483  148.750   59.852   76.726   33.097  102.232   23.877 -25.50639 40.81070 
1 1 1  -17  -25    7 o  236.226   18.384  747.449  107.591  646.550  176.587  807.018  135.683  201.232   36.484  241.236   22.794 -40.00406 43.01909 
1 1 1  -17  -25    8 o   81.552   23.661   96.272   51.012   82.734  122.488   99.113   56.110   84.084   35.072   82.405   25.048 1.679131 43.09779 
1 1 1  -17  -25    9 o  112.397   38.221  227.257  128.250  227.257  128.250   0.0000   0.0000  112.397   38.221  ?   ?  0.000000 38.22119 
1 1 1  -17  -25   10 o  117.707   21.256  198.682   60.181  218.543  133.871  193.651   67.372  107.311   38.845  113.877   24.424 -6.565445 45.88494 
1 1 1  -17  -25   11 o   62.577   23.008   52.425   47.231   1.9679  128.921   60.247   50.760   69.588   32.059   65.848   23.906 3.740715 39.99151 
1 1 1  -17  -25   12 f  124.798   21.935  230.524   65.864   86.909  141.922  269.946   74.357   80.051   35.541  134.223   23.012 -54.17210 42.34050 
1 1 1  -17  -25   13 o   42.099   19.038 -10.3364   42.816   0.0000   0.0000 -10.3364   42.816  ?   ?    42.099   19.038 0.000000 19.03802 
1 1 1  -17  -25   14 o   89.669   26.114  134.524   62.032   0.0000   0.0000  134.524   62.032  ?   ?    89.669   26.114 0.000000 26.11394 
1 1 1  -17  -25   15 o   56.351   22.653   39.280   48.784   0.0000   0.0000   39.280   48.784  ?   ?    56.351   22.653 0.000000 22.65252 
1 1 1  -17  -24    1 o   80.063   32.623   50.416  102.733   50.416  102.733   0.0000   0.0000   80.063   32.623  ?   ?  0.000000 32.62342 
1 1 1  -17  -24    2 o  104.689   22.806  149.487   57.935   22.865  110.133  197.934   68.123   76.626   32.672  120.593   23.466 -43.96700 40.22538 
1 1 1  -17  -24    3 o   88.842   23.819  108.637   53.925  140.639  110.794   98.703   61.729  101.208   35.476   85.106   26.346 16.10191 44.18888 
1 1 1  -17  -24    4 o  126.485   20.116  214.078   61.411  199.611  109.827  220.659   74.073  116.191   34.982  126.647   24.305 -10.45518 42.59675 
1 1 1  -17  -24    5 o  135.864   19.410  246.177   63.983  172.670  116.481  277.940   76.569  108.250   36.427  143.226   22.121 -34.97614 42.61766 
1 1 1  -17  -24    6 o  132.589   23.194  242.150   73.999   0.0000   0.0000  242.150   73.999  ?   ?   132.589   23.194 0.000000 23.19413 
1 1 1  -17  -24    7 o   48.417   20.546   6.3344   43.183   9.7673  107.848   5.6789   47.126   71.711   31.442   50.097   21.366 21.61404 38.01498 
1 1 1  -17  -24    8 o  205.264   17.846  559.922   90.565  504.927  153.019  589.573  112.358  180.225   35.263  207.490   22.021 -27.26465 41.57417 
1 1 1  -17  -24    9 o  145.286   19.291  287.143   68.258  234.347  131.476  306.624   79.864  117.483   38.678  148.290   22.254 -30.80743 44.62340 
1 1 1  -17  -24   10 o  148.703   38.304  379.944  143.108  379.944  143.108   0.0000   0.0000  148.703   38.304  ?   ?  0.000000 38.30378 
1 1 1  -17  -24   11 o   67.908   23.409   63.826   48.144  113.906  124.425   55.008   52.211   88.051   35.893   65.304   24.159 22.74745 43.26659 
1 1 1  -17  -24   12 o  156.032   22.809  353.480   86.250   0.0000   0.0000  353.480   86.250  ?   ?   156.032   22.809 0.000000 22.80945 
1 1 1  -17  -24   13 o   95.541   37.875  176.355  134.482  176.355  134.482   0.0000   0.0000   95.541   37.875  ?   ?  0.000000 37.87478 
1 1 1  -17  -24   14 o   50.315   21.522   13.904   48.067   0.0000   0.0000   13.904   48.067  ?   ?    50.315   21.522 0.000000 21.52187 
1 1 1  -17  -24   15 o   80.257   25.347  104.558   56.831   0.0000   0.0000  104.558   56.831  ?   ?    80.257   25.347 0.000000 25.34722 
1 1 1  -17  -24   16 o   80.445   25.455  107.507   57.294   0.0000   0.0000  107.507   57.294  ?   ?    80.445   25.455 0.000000 25.45480 
1 1 1  -17  -24   17 o   71.371   25.039   84.343   55.196   0.0000   0.0000   84.343   55.196  ?   ?    71.371   25.039 0.000000 25.03857 
1 1 1  -17  -23    1 o  485.288   24.823  3113.35  299.815  2925.20  430.837  3290.02  417.483  453.309   38.421  486.472   34.592 -33.16260 51.69900 
1 1 1  -17  -23    2 o  168.324   31.334  396.060  126.862  396.060  126.862   0.0000   0.0000  168.324   31.334  ?   ?  0.000000 31.33420 
1 1 1  -17  -23    3 o  142.580   19.201  267.353   66.625  295.264  119.138  254.653   80.367  143.283   33.838  137.071   24.372 6.211517 41.70124 
1 1 1  -17  -23    4 o  224.505   17.226  652.593   95.840  631.914  149.619  666.983  124.807  214.411   28.661  224.166   22.604 -9.754578 36.50242 
1 1 1  -17  -23    5 f  155.425   17.889  316.198   68.164  445.217  118.924  253.074   83.184  179.831   27.344  135.653   25.492 44.17851 37.38334 
1 1 1  -17  -23    6 o   65.216   23.228   50.781   47.659  133.319  103.186   28.398   53.734   98.335   34.250   59.695   23.853 38.64043 41.73707 
1 1 1  -17  -23    7 o  186.357   21.934  466.583  100.118   0.0000   0.0000  466.583  100.118  ?   ?   186.357   21.934 0.000000 21.93367 
1 1 1  -17  -23    8 o  162.275   18.369  348.956   73.126  293.854  129.808  374.572   88.505  137.396   37.006  166.290   21.842 -28.89432 42.97094 
1 1 1  -17  -23    9 o   51.540   21.417   13.797   45.429 -58.8129  108.654   29.179   50.010   62.471   29.008   57.911   23.052 4.560364 37.05251 
1 1 1  -17  -23   10 o  102.644   22.724  148.714   56.707  219.598  123.923  129.939   63.776  116.009   37.514   94.498   26.143 21.51112 45.72488 
1 1 1  -17  -23   12 o  165.811   37.563  466.102  151.928  466.102  151.928   0.0000   0.0000  165.811   37.563  ?   ?  0.000000 37.56260 
1 1 1  -17  -23   13 o   69.421   23.864   67.880   50.016   6.0168  122.894   80.162   54.757   70.730   32.094   74.261   24.976 -3.530891 40.66697 
1 1 1  -17  -23   14 f  104.993   22.640  162.996   57.613  241.693  133.054  144.836   63.915  110.930   38.877   96.500   25.957 14.43015 46.74630 
1 1 1  -17  -23   15 o   74.009   25.022   83.636   54.961   0.0000   0.0000   83.636   54.961  ?   ?    74.009   25.022 0.000000 25.02165 
1 1 1  -17  -23   16 o   49.657   21.241   13.662   46.824   0.0000   0.0000   13.662   46.824  ?   ?    49.657   21.241 0.000000 21.24101 
1 1 1  -17  -23   17 o   64.788   24.344   61.313   53.420   0.0000   0.0000   61.313   53.420  ?   ?    64.788   24.344 0.000000 24.34406 
1 1 1  -17  -23   18 o   66.332   24.542   68.034   53.883   0.0000   0.0000   68.034   53.883  ?   ?    66.332   24.542 0.000000 24.54224 
1 1 1  -17  -22    1 o  523.342   19.937  3533.80  260.549  3621.46  462.641  3493.08  315.306  509.803   36.584  516.122   24.464 -6.319641 44.00979 
1 1 1  -17  -22    2 o  117.478   14.504  177.955   41.645  150.537  110.033  182.539   44.992  105.438   35.405  118.728   15.549 -13.28941 38.66865 
1 1 1  -17  -22    3 o   60.663   27.667 -46.5983   92.827 -46.5983   92.827   0.0000   0.0000   60.663   27.667  ?   ?  0.000000 27.66727 
1 1 1  -17  -22    4 o  117.667   20.884  184.654   59.116  128.891   98.550  215.998   73.886   98.315   33.504  126.224   24.323 -27.90916 41.40190 
1 1 1  -17  -22    5 o  157.586   18.323  324.210   70.758  315.994  118.822  328.724   88.077  148.953   32.829  156.713   23.208 -7.759872 40.20409 
1 1 1  -17  -22    6 o  150.542   18.505  297.043   68.101  289.177  118.317  300.939   83.278  141.367   33.944  149.684   23.017 -8.317017 41.01189 
1 1 1  -17  -22    7 o   78.202   23.985   82.242   51.299 -30.9337  101.630  120.936   59.425   65.377   29.469   93.491   24.978 -28.11417 38.63108 
1 1 1  -17  -22    8 o  262.050   23.810  923.264  154.109   0.0000   0.0000  923.264  154.109  ?   ?   262.050   23.810 0.000000 23.81004 
1 1 1  -17  -22    9 o  179.958   17.715  425.149   78.576  428.577  135.989  423.431   96.273  171.103   33.023  177.167   22.252 -6.064148 39.82033 
1 1 1  -17  -22   10 o   62.921   23.062   46.041   47.401   87.994  113.305   37.141   52.188   87.475   34.737   61.318   23.805 26.15692 42.11127 
1 1 1  -17  -22   11 o  140.038   20.014  265.694   67.998  252.563  127.069  270.963   80.494  125.198   37.613  139.160   24.032 -13.96182 44.63484 
1 1 1  -17  -22   12 o   70.850   31.632   0.7128  114.060   0.7128  114.060   0.0000   0.0000   70.850   31.632  ?   ?  0.000000 31.63246 
1 1 1  -17  -22   13 o   56.109   22.414   28.723   47.436   26.808  113.917   29.124   52.174   73.684   32.311   57.811   23.361 15.87333 39.87140 
1 1 1  -17  -22   14 o  144.717   19.616  290.011   69.062  398.622  141.719  256.186   79.088  151.697   37.600  132.100   24.888 19.59756 45.09075 
1 1 1  -17  -22   15 o   80.592   24.655   97.689   54.242  -4.2506  128.021  119.993   59.883   69.940   32.119   88.520   25.623 -18.58029 41.08754 
1 1 1  -17  -22   16 o  111.317   25.121  190.356   68.174   0.0000   0.0000  190.356   68.174  ?   ?   111.317   25.121 0.000000 25.12118 
1 1 1  -17  -22   17 o   93.599   25.556  139.387   61.410   0.0000   0.0000  139.387   61.410  ?   ?    93.599   25.556 0.000000 25.55550 
1 1 1  -17  -22   18 o  102.767   25.592  170.095   65.428   0.0000   0.0000  170.095   65.428  ?   ?   102.767   25.592 0.000000 25.59221 
1 1 1  -17  -22   19 o   97.007   26.411  157.610   65.702   0.0000   0.0000  157.610   65.702  ?   ?    97.007   26.411 0.000000 26.41146 
1 1 1  -17  -21    1 o  338.682   14.422  1455.27  121.971  1533.19  226.352  1423.38  144.791  340.161   26.866  333.303   17.457 6.857574 32.03913 
1 1 1  -17  -21    2 o   66.272   17.994   58.114   30.546 -35.7580   93.215   69.407   32.331   62.651   28.234   72.240   17.990 -9.588200 33.47816 
1 1 1  -17  -21    3 o  142.776   13.134  260.228   46.304  134.985  100.096  294.325   52.228  100.732   33.769  151.713   13.942 -50.98093 36.53349 
1 1 1  -17  -21    4 o  204.745   27.360  564.597  136.387  564.597  136.387   0.0000   0.0000  204.745   27.360  ?   ?  0.000000 27.35963 
1 1 1  -17  -21    5 o  314.168   18.626  1274.42  145.477  1229.55  214.407  1312.70  198.037  301.800   28.799  314.467   25.436 -12.66721 38.42353 
1 1 1  -17  -21    6 o  111.037   21.363  165.265   57.086  120.475  100.394  186.667   69.397   96.313   33.770  117.096   24.519 -20.78355 41.73184 
1 1 1  -17  -21    7 o  374.523   20.336  1827.63  189.477  1855.12  278.009  1803.78  258.930  367.950   30.532  364.706   28.662 3.243713 41.87736 
1 1 1  -17  -21    8 o  218.081   17.014  615.357   91.921  681.121  149.225  575.146  116.687  223.659   27.284  207.913   22.851 15.74542 35.58915 
1 1 1  -17  -21    9 o   87.571   25.962  105.461   60.839   0.0000   0.0000  105.461   60.839  ?   ?    87.571   25.962 0.000000 25.96231 
1 1 1  -17  -21   10 o  172.827   18.138  392.102   77.115  425.670  134.915  375.813   93.980  171.511   32.694  166.648   23.213 4.863129 40.09679 
1 1 1  -17  -21   11 o   45.526   20.362 -15.1262   47.483 -21.1931  104.335 -13.5414   53.325   66.787   30.004   48.774   21.713 18.01259 37.03680 
1 1 1  -17  -21   12 o  132.601   20.339  238.181   65.198  242.288  124.384  236.626   76.558  123.872   37.213  129.996   24.482 -6.124382 44.54433 
1 1 1  -17  -21   13 o  116.160   37.777  218.889  125.562  218.889  125.562   0.0000   0.0000  116.160   37.777  ?   ?  0.000000 37.77708 
1 1 1  -17  -21   14 o   88.862   24.100  114.103   54.830  109.100  120.406  115.412   61.587   89.783   35.760   88.768   26.069 1.014626 44.25328 
1 1 1  -17  -21   15 o  254.559   19.282  882.588  121.663  770.613  197.128  951.483  154.626  214.122   38.271  258.278   24.258 -44.15598 45.31203 
1 1 1  -17  -21   16 f  248.271   19.271  848.762  118.538  791.923  196.964  881.039  148.428  213.432   38.366  246.186   24.468 -32.75459 45.50391 
1 1 1  -17  -21   17 o  113.170   25.408  195.663   70.044   0.0000   0.0000  195.663   70.044  ?   ?   113.170   25.408 0.000000 25.40759 
1 1 1  -17  -21   18 o   78.506   25.861   96.289   58.774   0.0000   0.0000   96.289   58.774  ?   ?    78.506   25.861 0.000000 25.86131 
1 1 1  -17  -21   19 o   57.578   23.360   36.229   52.400   0.0000   0.0000   36.229   52.400  ?   ?    57.578   23.360 0.000000 23.36026 
1 1 1  -17  -21   20 o   45.412   20.427  -5.9369   48.528   0.0000   0.0000  -5.9369   48.528  ?   ?    45.412   20.427 0.000000 20.42655 
1 1 1  -17  -20    1 o  330.477   14.452  1384.21  119.263  1380.69  219.647  1385.69  142.023  322.856   27.506  329.155   17.340 -6.299469 32.51529 
1 1 1  -17  -20    2 o  257.550   13.192  841.004   84.557  783.629  162.641  862.256   98.986  242.630   27.319  260.113   15.307 -17.48241 31.31446 
1 1 1  -17  -20    3 o  488.912   18.932  3066.18  231.141  3018.53  408.438  3088.62  280.354  469.161   35.117  487.600   23.025 -18.43915 41.99193 
1 1 1  -17  -20    4 o  246.786   13.305  773.174   81.693  635.150  155.368  825.914   96.040  216.686   29.478  254.463   15.183 -37.77708 33.15856 
1 1 1  -17  -20    5 o  134.389   15.191  232.490   50.087  327.211  102.516  202.790   57.405  155.275   27.442  124.295   19.106 30.97972 33.43834 
1 1 1  -17  -20    6 o   58.833   22.601   32.024   46.665 -23.0556   90.048   52.246   54.563   63.323   28.201   68.215   24.783 -4.892277 37.54307 
1 1 1  -17  -20    7 o  235.137   17.037  711.474   99.360  725.418  154.175  701.569  129.944  232.353   27.079  230.797   22.846 1.556168 35.42947 
1 1 1  -17  -20    8 o  164.226   18.056  350.745   72.824  234.271  119.846  418.926   91.695  127.298   36.060  178.472   20.974 -51.17459 41.71630 
1 1 1  -17  -20    9 o  100.239   26.258  138.873   66.514   0.0000   0.0000  138.873   66.514  ?   ?   100.239   26.258 0.000000 26.25847 
1 1 1  -17  -20   11 o   83.024   24.535   94.241   54.402   72.085  107.267  101.914   63.123   84.832   33.764   86.260   26.631 -1.427505 43.00261 
1 1 1  -17  -20   12 o  197.081   18.136  509.647   88.255  385.122  144.798  583.252  111.324  159.324   37.088  208.858   21.660 -49.53380 42.94965 
1 1 1  -17  -20   13 o  195.743   18.078  505.218   87.366  477.273  147.971  520.173  108.248  178.649   34.417  195.850   22.545 -17.20120 41.14341 
1 1 1  -17  -20   14 o  190.770   33.919  549.863  155.665  549.863  155.665   0.0000   0.0000  190.770   33.919  ?   ?  0.000000 33.91887 
1 1 1  -17  -20   15 o  306.525   19.494  1262.51  148.438  1288.69  229.727  1243.74  194.490  293.192   31.891  295.408   26.652 -2.215302 41.56168 
1 1 1  -17  -20   16 o  209.592   19.000  595.416   98.361  471.220  166.465  662.039  121.922  164.143   40.790  217.450   22.792 -53.30618 46.72604 
1 1 1  -17  -20   17 o  220.104   18.995  662.979  103.380  597.477  176.261  697.327  127.639  184.570   39.439  220.802   23.510 -36.23218 45.91497 
1 1 1  -17  -20   18 o  250.661   25.304  931.288  156.221   0.0000   0.0000  931.288  156.221  ?   ?   250.661   25.304 0.000000 25.30395 
1 1 1  -17  -20   19 o   84.252   25.955  111.247   59.995   0.0000   0.0000  111.247   59.995  ?   ?    84.252   25.955 0.000000 25.95501 
1 1 1  -17  -20   20 o   61.527   24.005   48.011   53.269   0.0000   0.0000   48.011   53.269  ?   ?    61.527   24.005 0.000000 24.00477 
1 1 1  -17  -20   21 o   85.589   26.472  120.831   62.339   0.0000   0.0000  120.831   62.339  ?   ?    85.589   26.472 0.000000 26.47226 
1 1 1  -17  -19    1 o  294.429   24.602  1133.60  179.227   0.0000   0.0000  1133.60  179.227  ?   ?   294.429   24.602 0.000000 24.60200 
1 1 1  -17  -19    2 o  410.033   16.911  2140.93  173.156  2033.11  309.039  2190.26  209.054  388.793   32.118  412.977   20.271 -24.18420 37.98026 
1 1 1  -17  -19    3 o  293.492   14.383  1091.35  105.411  909.476  191.718  1170.16  126.199  260.267   30.050  302.685   16.761 -42.41769 34.40880 
1 1 1  -17  -19    4 o  206.502   12.753  540.750   65.440  445.302  128.206  574.379   76.100  181.364   29.307  212.399   14.433 -31.03448 32.66862 
1 1 1  -17  -19    5 o  263.631   13.770  882.498   90.336  628.414  167.558  986.614  107.259  214.236   32.326  278.180   15.502 -63.94391 35.85044 
1 1 1  -17  -19    6 o  166.840   15.638  357.101   64.392  291.069  112.600  389.188   78.494  144.556   32.035  173.374   18.412 -28.81866 36.94904 
1 1 1  -17  -19    7 o  309.091   13.087  1209.46  101.013  1311.33  191.629  1170.27  118.869  315.659   24.502  302.716   15.779 12.94305 29.14373 
1 1 1  -17  -19    8 o  236.855   22.830  737.098  133.361   0.0000   0.0000  737.098  133.361  ?   ?   236.855   22.830 0.000000 22.83020 
1 1 1  -17  -19    9 o  203.659   28.497  563.360  140.958  563.360  140.958   0.0000   0.0000  203.659   28.497  ?   ?  0.000000 28.49662 
1 1 1  -17  -19   10 o  129.786   19.708  222.363   61.865  283.007  108.996  193.540   75.142  141.658   31.614  118.701   26.064 22.95763 40.97260 
1 1 1  -17  -19   11 o   71.511   25.900   59.519   59.526   0.0000   0.0000   59.519   59.526  ?   ?    71.511   25.900 0.000000 25.89976 
1 1 1  -17  -19   12 o   61.561   23.710   36.470   51.451 -100.6102  101.153   84.313   59.758   56.590   26.810   79.838   26.066 -23.24775 37.39277 
1 1 1  -17  -19   13 o  186.214   18.235  454.507   83.705  367.198  139.787  503.312  104.514  156.631   36.427  194.052   21.954 -37.42078 42.53115 
1 1 1  -17  -19   14 o  160.886   19.024  343.481   74.953  301.368  131.831  363.596   91.112  139.794   37.135  163.492   22.949 -23.69775 43.65366 
1 1 1  -17  -19   15 o  191.484   33.246  545.908  153.204  545.908  153.204   0.0000   0.0000  191.484   33.246  ?   ?  0.000000 33.24557 
1 1 1  -17  -19   16 o   86.008   25.023  105.859   56.982   34.988  117.874  127.471   65.093   77.355   33.403   93.604   26.596 -16.24966 42.69829 
1 1 1  -17  -19   17 o  120.992   22.194  205.923   64.584  232.280  132.380  197.690   73.987  116.496   38.833  116.064   26.154 0.4324951 46.81942 
1 1 1  -17  -19   18 o  235.928   18.977  758.127  110.860  729.131  185.719  774.178  138.179  209.563   36.833  232.647   24.136 -23.08405 44.03644 
1 1 1  -17  -19   19 o  149.834   24.333  329.541   87.922   0.0000   0.0000  329.541   87.922  ?   ?   149.834   24.333 0.000000 24.33321 
1 1 1  -17  -19   20 o  134.252   25.087  272.431   81.011   0.0000   0.0000  272.431   81.011  ?   ?   134.252   25.087 0.000000 25.08662 
1 1 1  -17  -19   21 f  148.462   24.635  335.041   88.130   0.0000   0.0000  335.041   88.130  ?   ?   148.462   24.635 0.000000 24.63532 
1 1 1  -17  -19   22 o   41.256   19.226 -28.9352   48.418   0.0000   0.0000 -28.9352   48.418  ?   ?    41.256   19.226 0.000000 19.22592 
1 1 1  -17  -18    1 o  164.635   12.481  343.714   50.932  271.177  104.301  366.427   58.363  140.796   30.544  169.714   13.893 -28.91866 33.55487 
1 1 1  -17  -18    2 o  185.988   22.502  452.013  102.384   0.0000   0.0000  452.013  102.384  ?   ?   185.988   22.502 0.000000 22.50200 
1 1 1  -17  -18    3 o  506.979   19.831  3293.81  251.064  3133.70  440.399  3370.90  305.583  478.277   37.165  509.843   24.002 -31.56525 44.24202 
1 1 1  -17  -18    4 o  240.055   13.232  730.296   79.016  611.958  147.749  777.701   93.513  214.018   28.343  247.166   15.225 -33.14729 32.17292 
1 1 1  -17  -18    5 o  760.650   28.628  7641.82  543.776  7372.45  947.014  7774.32  664.183  697.138   54.841  756.802   35.144 -59.66309 65.13587 
1 1 1  -17  -18    6 o  204.518   12.921  530.615   65.653  380.266  128.508  583.716   76.371  166.087   32.146  214.158   14.364 -48.07097 35.20951 
1 1 1  -17  -18    7 o  249.104   15.125  790.830   93.642  996.078  152.445  666.456  118.670  276.552   22.263  226.336   21.245 50.21597 30.77273 
1 1 1  -17  -18    8 o  226.539   13.167  651.535   74.166  511.370  144.348  701.810   86.450  193.420   30.927  234.635   14.831 -41.21432 34.29935 
1 1 1  -17  -18    9 f  317.377   13.868  1277.33  109.908  1430.52  207.320  1217.45  129.622  329.126   25.422  308.271   16.903 20.85452 30.52824 
1 1 1  -17  -18   10 o  268.763   17.856  930.083  119.162  844.564  179.126  997.972  159.599  249.811   29.269  275.503   23.420 -25.69217 37.48579 
1 1 1  -17  -18   11 o   82.044   24.478   90.160   53.953 -16.2030   99.214  134.820   64.289   67.501   29.854   99.161   25.738 -31.66015 39.41742 
1 1 1  -17  -18   12 o  166.002   23.032  367.437   92.903   0.0000   0.0000  367.437   92.903  ?   ?   166.002   23.032 0.000000 23.03189 
1 1 1  -17  -18   13 o  133.042   20.309  235.147   65.333  170.746  116.476  264.711   78.918  109.719   36.419  140.040   23.392 -30.32099 43.28403 
1 1 1  -17  -18   14 o  116.816   21.772  184.729   61.174  248.366  115.675  160.022   72.077  129.635   34.941  106.741   27.017 22.89470 44.16739 
1 1 1  -17  -18   15 o  148.119   19.953  292.681   71.924  211.745  127.503  330.455   87.106  117.985   38.041  155.944   23.064 -37.95947 44.48680 
1 1 1  -17  -18   16 o   73.442   32.028   13.381  110.573   13.381  110.573   0.0000   0.0000   73.442   32.028  ?   ?  0.000000 32.02825 
1 1 1  -17  -18   17 o   81.841   25.209   94.452   56.599  198.134  121.981   66.006   63.893  111.748   37.278   72.753   26.759 38.99512 45.88784 
1 1 1  -17  -18   18 o  186.445   18.524  467.120   85.102  573.749  154.571  420.737  101.945  193.076   33.259  172.621   24.324 20.45435 41.20482 
1 1 1  -17  -18   19 o   80.378   25.311   94.138   56.704   30.216  126.186  110.312   63.474   76.220   33.692   86.106   26.725 -9.886185 43.00437 
1 1 1  -17  -18   20 o  177.745   23.911  457.452  103.439   0.0000   0.0000  457.452  103.439  ?   ?   177.745   23.911 0.000000 23.91080 
1 1 1  -17  -18   21 o   92.844   26.927  135.357   66.076   0.0000   0.0000  135.357   66.076  ?   ?    92.844   26.927 0.000000 26.92679 
1 1 1  -17  -18   22 o   60.178   24.301   39.566   56.420   0.0000   0.0000   39.566   56.420  ?   ?    60.178   24.301 0.000000 24.30108 
1 1 1  -17  -18   23 o   93.169   27.200  142.496   67.223   0.0000   0.0000  142.496   67.223  ?   ?    93.169   27.200 0.000000 27.19955 
1 1 1  -17  -17    1 o  226.943   12.992  651.732   73.320  488.293  137.692  716.415   86.622  190.719   29.894  237.547   14.674 -46.82809 33.30116 
1 1 1  -17  -17    2 o  142.305   12.444  257.174   43.775  166.643   88.760  286.271   50.321  110.556   30.934  149.966   13.584 -39.41006 33.78503 
1 1 1  -17  -17    3 o   70.044   25.483   53.810   57.717   0.0000   0.0000   53.810   57.717  ?   ?    70.044   25.483 0.000000 25.48264 
1 1 1  -17  -17    4 o  299.917   14.784  1139.06  110.722  838.139  197.989  1275.99  133.559  248.954   32.633  316.303   16.971 -67.34846 36.78223 
1 1 1  -17  -17    5 o  298.864   14.284  1130.35  106.606  1031.76  194.786  1172.52  127.376  278.902   28.362  303.138   16.894 -24.23660 33.01234 
1 1 1  -17  -17    6 o  282.919   14.378  1016.00  101.244  764.122  184.098  1125.20  121.221  237.659   31.819  297.053   16.405 -59.39442 35.79898 
1 1 1  -17  -17    7 o  159.569   12.951  323.697   51.162  337.426  111.708  320.052   57.554  157.509   29.484  158.250   14.733 -0.7408752 32.96051 
1 1 1  -17  -17    8 f  271.321   16.266  939.921  109.698  1010.49  169.604  889.165  143.835  277.443   24.740  261.367   22.249 16.07599 33.27276 
1 1 1  -17  -17    9 o  226.719   12.431  651.122   70.111  681.815  139.576  640.764   81.082  227.230   25.012  224.310   14.554 2.919678 28.93807 
1 1 1  -17  -17   10 o  165.370   12.053  347.104   49.431  463.307  112.950  319.576   54.975  186.786   24.831  158.169   14.065 28.61737 28.53765 
1 1 1  -17  -17   11 o  197.470   12.439  494.918   61.027  560.200  130.476  476.636   69.046  204.818   26.103  193.236   14.412 11.58197 29.81782 
1 1 1  -17  -17   12 o  173.727   17.890  390.986   76.502  386.678  126.509  393.469   96.055  166.805   31.526  172.362   22.882 -5.556763 38.95522 
1 1 1  -17  -17   13 o  119.914   25.897  197.059   75.281   0.0000   0.0000  197.059   75.281  ?   ?   119.914   25.897 0.000000 25.89739 
1 1 1  -17  -17   14 f  222.626   17.833  642.416   98.308  581.332  155.505  683.080  126.879  204.082   31.529  227.108   22.675 -23.02577 38.83647 
1 1 1  -17  -17   15 o  208.487   18.052  566.284   93.058  546.666  152.049  578.033  117.671  196.491   32.096  208.009   23.041 -11.51756 39.50984 
1 1 1  -17  -17   16 o  180.193   18.431  426.695   81.766  472.810  139.960  402.801  100.747  181.344   32.080  172.074   24.108 9.270767 40.12883 
1 1 1  -17  -17   17 o  214.729   31.625  666.753  164.498  666.753  164.498   0.0000   0.0000  214.729   31.625  ?   ?  0.000000 31.62452 
1 1 1  -17  -17   18 o   49.585   21.672  -3.2942   50.876  106.810  111.681 -32.1259   57.150   90.472   34.908   46.757   21.468 43.71486 40.98079 
1 1 1  -17  -17   19 o   91.128   25.359  120.356   59.823   58.613  125.171  138.635   68.104   82.103   34.915   97.038   27.077 -14.93478 44.18352 
1 1 1  -17  -17   20 o  100.408   24.424  147.163   60.653  285.485  131.699  109.927   68.331  128.629   38.213   86.059   27.859 42.57000 47.29019 
1 1 1  -17  -17   21 o  119.690   26.036  214.711   75.605   0.0000   0.0000  214.711   75.605  ?   ?   119.690   26.036 0.000000 26.03646 
1 1 1  -17  -17   22 o   85.736   27.446  114.530   66.460   0.0000   0.0000  114.530   66.460  ?   ?    85.736   27.446 0.000000 27.44590 
1 1 1  -17  -17   23 o   70.104   26.242   69.537   61.960   0.0000   0.0000   69.537   61.960  ?   ?    70.104   26.242 0.000000 26.24202 
1 1 1  -17  -17   24 o   61.113   24.933   41.283   60.106   0.0000   0.0000   41.283   60.106  ?   ?    61.113   24.933 0.000000 24.93349 
1 1 1  -17  -16    1 o  208.587   11.890  549.406   61.676  651.468  119.943  512.719   71.912  224.446   21.669  200.940   14.427 23.50580 26.03279 
1 1 1  -17  -16    2 o  414.272   15.653  2173.77  161.935  2303.44  286.151  2112.69  196.411  419.515   27.466  406.893   19.330 12.62262 33.58649 
1 1 1  -17  -16    3 o  199.851   15.909  509.346   78.738  555.956  116.840  470.569  106.572  206.579   23.042  189.903   22.938 16.67552 32.51252 
1 1 1  -17  -16    4 o  257.415   22.954  860.250  146.005   0.0000   0.0000  860.250  146.005  ?   ?   257.415   22.954 0.000000 22.95430 
1 1 1  -17  -16    5 o  218.551   12.968  604.756   70.460  513.072  132.251  641.095   83.261  196.360   27.744  224.547   14.934 -28.18694 31.50748 
1 1 1  -17  -16    6 o  198.490   14.419  501.028   70.983   0.0000   0.0000  501.028   70.983  ?   ?   198.490   14.419 0.000000 14.41915 
1 1 1  -17  -16    7 f  404.684   30.897  2183.80  309.876  2183.80  309.876   0.0000   0.0000  404.684   30.897  ?   ?  0.000000 30.89700 
1 1 1  -17  -16    8 o  326.882   15.044  1354.65  122.798  1229.26  221.973  1409.95  147.410  303.650   29.652  332.021   17.845 -28.37088 34.60745 
1 1 1  -17  -16    9 o  347.354   18.778  1547.85  162.278  1528.15  239.413  1564.59  220.716  339.310   28.520  345.205   25.790 -5.895203 38.45147 
1 1 1  -17  -16   10 o  324.454   14.007  1333.14  113.488  1469.88  210.751  1277.29  134.683  334.515   25.419  316.056   17.129 18.45944 30.65179 
1 1 1  -17  -16   11 o  104.835   13.967  141.586   35.654  171.225   95.304  136.762   38.446  111.276   32.357  102.650   15.479 8.626328 35.86945 
1 1 1  -17  -16   12 o   92.948   15.410  112.643   34.515   54.087   95.574  121.425   37.013   79.999   31.861   96.457   15.922 -16.45787 35.61787 
1 1 1  -17  -16   13 o  107.844   14.741  150.422   38.660   88.426  101.240  161.006   41.830   88.953   33.496  111.458   15.444 -22.50525 36.88456 
1 1 1  -17  -16   14 o  243.095   23.522  780.392  141.003   0.0000   0.0000  780.392  141.003  ?   ?   243.095   23.522 0.000000 23.52159 
1 1 1  -17  -16   15 o  329.026   19.394  1405.55  158.641  1432.67  237.715  1383.77  213.016  324.070   29.705  320.952   26.824 3.118805 40.02369 
1 1 1  -17  -16   16 o  285.185   18.828  1058.43  133.330  967.244  203.384  1127.16  176.562  263.234   31.570  290.276   24.589 -27.04169 40.01591 
1 1 1  -17  -16   17 o  196.898   18.238  507.524   88.655  529.425  147.685  495.185  110.851  192.677   31.804  191.525   23.682 1.152191 39.65255 
1 1 1  -17  -16   18 o  115.992   37.107  205.135  121.500  205.135  121.500   0.0000   0.0000  115.992   37.107  ?   ?  0.000000 37.10740 
1 1 1  -17  -16   19 o  100.050   24.984  142.397   62.232  145.348  124.045  141.405   71.941  100.293   37.211   98.707   27.931 1.586311 46.52757 
1 1 1  -17  -16   20 o  189.943   19.114  484.722   89.430  405.090  154.921  524.520  109.520  156.095   39.663  194.718   22.965 -38.62270 45.83179 
1 1 1  -17  -16   21 o  166.310   20.133  379.155   81.909  266.371  150.449  426.668   97.650  121.601   41.397  174.273   23.000 -52.67267 47.35723 
1 1 1  -17  -16   22 o  108.666   26.602  178.519   71.606   0.0000   0.0000  178.519   71.606  ?   ?   108.666   26.602 0.000000 26.60224 
1 1 1  -17  -16   23 o  155.464   24.647  356.608   92.493   0.0000   0.0000  356.608   92.493  ?   ?   155.464   24.647 0.000000 24.64689 
1 1 1  -17  -16   24 o   62.672   25.095   44.700   59.615   0.0000   0.0000   44.700   59.615  ?   ?    62.672   25.095 0.000000 25.09502 
1 1 1  -17  -16   25 o  156.693   25.848  378.846   97.615   0.0000   0.0000  378.846   97.615  ?   ?   156.693   25.848 0.000000 25.84838 
1 1 1  -17  -15    1 o  111.181   13.236  157.952   36.026  151.874   78.682  159.564   40.523  106.115   28.908  111.414   14.941 -5.298988 32.54084 
1 1 1  -17  -15    2 o   76.930   15.413   77.460   28.579   48.589   66.567   83.984   31.643   71.196   27.077   80.005   16.390 -8.808441 31.65135 
1 1 1  -17  -15    3 o  246.738   11.925  766.310   73.474  868.875  136.504  724.475   87.180  259.676   21.236  238.981   14.680 20.69484 25.81615 
1 1 1  -17  -15    4 o  192.746   21.774  482.197  102.965   0.0000   0.0000  482.197  102.965  ?   ?   192.746   21.774 0.000000 21.77370 
1 1 1  -17  -15    5 o  422.953   20.896  2292.00  220.704   0.0000   0.0000  2292.00  220.704  ?   ?   422.953   20.896 0.000000 20.89618 
1 1 1  -17  -15    6 o  127.346   18.414  210.664   56.858  209.290   86.536  211.707   75.423  124.119   28.519  125.849   24.882 -1.729530 37.84706 
1 1 1  -17  -15    7 o  122.194   13.117  190.531   39.399  169.253   86.672  196.073   44.233  111.365   30.341  123.666   14.605 -12.30063 33.67331 
1 1 1  -17  -15    8 o  396.198   16.583  1994.54  164.072  1861.00  291.193  2056.66  198.598  373.262   31.536  400.823   19.841 -27.56027 37.25817 
1 1 1  -17  -15    9 o  232.736   12.807  685.633   74.147  714.935  142.201  674.691   86.895  233.462   24.770  230.229   15.200 3.232529 29.06153 
1 1 1  -17  -15   10 o  162.846   14.358  338.239   57.789  472.099  106.152  281.858   68.893  189.893   22.844  147.270   19.189 42.62273 29.83378 
1 1 1  -17  -15   11 o  307.034   13.748  1192.72  105.410  1258.51  196.180  1166.02  124.985  309.497   25.613  302.233   16.624 7.264771 30.53540 
1 1 1  -17  -15   12 o  289.311   13.163  1058.37   95.097  1196.96  181.817  1006.18  111.576  302.298   24.290  280.828   15.976 21.46973 29.07336 
1 1 1  -17  -15   13 o   82.946   16.483   90.618   32.939  -6.4533   91.071  105.227   35.331   66.709   29.080   89.557   16.402 -22.84811 33.38712 
1 1 1  -17  -15   14 o   66.809   17.603   59.174   29.780  186.943   98.128   46.213   31.254  115.643   32.585   60.105   18.769 55.53880 37.60385 
1 1 1  -17  -15   15 o  168.359   23.588  376.975   96.446   0.0000   0.0000  376.975   96.446  ?   ?   168.359   23.588 0.000000 23.58761 
1 1 1  -17  -15   16 o  269.888   13.814  928.137   92.789  940.834  184.926  923.864  107.270  263.352   28.578  268.311   16.084 -4.959534 32.79367 
1 1 1  -17  -15   17 o  281.182   18.351  1025.88  128.146  1069.07  196.271  993.794  169.183  279.873   28.480  272.295   25.166 7.578369 38.00542 
1 1 1  -17  -15   18 o   73.575   25.416   68.444   56.767  158.023  114.818   39.463   65.308  105.547   36.163   66.729   26.412 38.81852 44.78147 
1 1 1  -17  -15   19 o   86.173   34.721   75.888  114.904   75.888  114.904   0.0000   0.0000   86.173   34.721  ?   ?  0.000000 34.72139 
1 1 1  -17  -15   20 o  294.685   19.264  1151.36  140.983  1197.57  219.209  1118.77  184.112  287.854   30.984  283.514   26.305 4.339813 40.64371 
1 1 1  -17  -15   21 o   67.595   25.094   54.960   56.427 -19.1786  121.916   75.171   63.656   70.586   32.004   75.406   26.846 -4.820076 41.77313 
1 1 1  -17  -15   22 o  134.141   22.097  252.018   71.441  232.663  142.405  258.528   82.585  115.475   40.234  133.448   25.715 -17.97333 47.74988 
1 1 1  -17  -15   23 o  138.027   25.797  280.879   85.648   0.0000   0.0000  280.879   85.648  ?   ?   138.027   25.797 0.000000 25.79721 
1 1 1  -17  -15   24 f   76.315   27.136   84.998   65.019   0.0000   0.0000   84.998   65.019  ?   ?    76.315   27.136 0.000000 27.13597 
1 1 1  -17  -15   25 o  157.140   25.008  369.941   94.845   0.0000   0.0000  369.941   94.845  ?   ?   157.140   25.008 0.000000 25.00817 
1 1 1  -17  -15   26 o  123.617   27.579  243.681   82.971   0.0000   0.0000  243.681   82.971  ?   ?   123.617   27.579 0.000000 27.57861 
1 1 1  -17  -14    1 o  110.723   12.967  156.451   35.173  149.761   71.823  158.562   40.342  105.559   27.106  111.095   14.918 -5.536392 30.94060 
1 1 1  -17  -14    2 o  110.951   12.406  156.834   33.785  231.659   72.649  136.186   38.163  132.692   22.743  102.714   15.349 29.97795 27.43804 
1 1 1  -17  -14    3 o  186.868   11.543  440.784   53.599  432.378  102.522  443.945   62.876  182.172   23.052  187.161   13.545 -4.988831 26.73684 
1 1 1  -17  -14    4 o  321.616   13.478  1304.51  108.246  1392.51  194.823  1265.21  130.191  327.991   23.952  315.514   16.582 12.47662 29.13182 
1 1 1  -17  -14    5 o  123.020   24.120  201.363   71.449   0.0000   0.0000  201.363   71.449  ?   ?   123.020   24.120 0.000000 24.12008 
1 1 1  -17  -14    6 o  251.862   12.526  799.274   78.784  820.052  146.309  790.789   93.497  251.240   23.597  249.581   15.072 1.658997 27.99954 
1 1 1  -17  -14    7 o  162.867   11.791  335.646   47.631  359.246   96.176  327.977   54.827  165.270   24.006  160.590   13.806 4.679901 27.69261 
1 1 1  -17  -14    8 o  301.212   14.082  1146.56  105.922  1035.65  191.107  1195.74  127.257  280.357   27.657  306.432   16.693 -26.07486 32.30468 
1 1 1  -17  -14    9 o  274.897   14.006  957.492   95.826  745.852  174.178  1049.36  114.754  236.176   30.226  287.166   16.067 -50.98987 34.23115 
1 1 1  -17  -14   10 o  134.738   12.426  230.802   41.337  288.623   92.810  216.493   46.169  146.874   26.269  130.038   14.463 16.83661 29.98708 
1 1 1  -17  -14   11 o  246.675   16.227  776.137   99.400  721.476  153.557  815.560  130.408  233.585   26.811  251.142   20.986 -17.55727 34.04784 
1 1 1  -17  -14   12 o  210.424   12.740  560.978   66.629  546.291  132.125  565.987   77.158  202.777   26.745  210.850   14.747 -8.073669 30.54127 
1 1 1  -17  -14   13 o  185.629   12.790  437.247   58.926  391.925  123.519  450.601   67.048  169.623   30.271  188.061   14.386 -18.43839 33.51578 
1 1 1  -17  -14   14 o  219.119   12.335  608.137   67.219  735.581  140.631  570.398   76.527  236.568   24.144  211.590   14.572 24.97797 28.20046 
1 1 1  -17  -14   15 o  226.443   13.126  650.985   73.904  583.100  149.687  672.866   84.984  207.347   29.762  229.689   14.897 -22.34171 33.28241 
1 1 1  -17  -14   16 o   90.014   27.837  108.641   68.934   0.0000   0.0000  108.641   68.934  ?   ?    90.014   27.837 0.000000 27.83670 
1 1 1  -17  -14   17 o  187.736   12.286  447.994   57.279  639.084  135.895  406.711   63.164  218.668   25.357  178.269   14.309 40.39951 29.11613 
1 1 1  -17  -14   18 o  126.881   13.781  207.169   42.963  245.234  117.985  201.350   46.130  129.702   35.426  124.691   15.124 5.010551 38.51981 
1 1 1  -17  -14   19 o  113.452   14.729  167.292   40.746  115.562  116.224  174.541   43.507   95.803   35.925  115.703   15.443 -19.90003 39.10409 
1 1 1  -17  -14   20 o  149.200   36.772  338.662  136.123  338.662  136.123   0.0000   0.0000  149.200   36.772  ?   ?  0.000000 36.77152 
1 1 1  -17  -14   21 o  205.432   18.580  558.686   94.284  711.698  162.381  480.862  115.805  222.680   29.962  185.858   25.634 36.82260 39.43076 
1 1 1  -17  -14   22 o  304.477   19.961  1243.78  150.932  1226.84  234.096  1255.83  197.452  285.443   33.477  297.854   26.835 -12.41122 42.90488 
1 1 1  -17  -14   23 o  216.333   19.263  632.778  102.973  635.312  176.439  631.470  126.810  198.254   37.000  211.316   24.485 -13.06206 44.36736 
1 1 1  -17  -14   24 o  169.477   24.775  415.188  101.755   0.0000   0.0000  415.188  101.755  ?   ?   169.477   24.775 0.000000 24.77504 
1 1 1  -17  -14   25 o   68.336   26.355   58.901   63.635   0.0000   0.0000   58.901   63.635  ?   ?    68.336   26.355 0.000000 26.35460 
1 1 1  -17  -14   26 o   76.608   27.515   87.647   67.009   0.0000   0.0000   87.647   67.009  ?   ?    76.608   27.515 0.000000 27.51530 
1 1 1  -17  -14   27 o   67.071   26.464   58.063   65.374   0.0000   0.0000   58.063   65.374  ?   ?    67.071   26.464 0.000000 26.46448 
1 1 1  -17  -13    1 o  247.984   12.631  775.794   77.961  709.441  140.219  805.484   93.795  233.837   24.371  252.183   14.961 -18.34569 28.59680 
1 1 1  -17  -13    2 o  536.778   20.568  3673.78  275.699  3479.81  480.311  3769.09  336.688  508.648   38.091  541.078   24.918 -32.43045 45.51726 
1 1 1  -17  -13    3 o  268.165   12.867  905.511   86.166  930.741  155.270  894.284  103.578  268.351   23.405  265.508   15.692 2.843109 28.17822 
1 1 1  -17  -13    4 o  266.191   15.348  898.531  101.591   0.0000   0.0000  898.531  101.591  ?   ?   266.191   15.348 0.000000 15.34824 
1 1 1  -17  -13    5 o  293.904   25.047  1122.16  182.071  1122.16  182.071   0.0000   0.0000  293.904   25.047  ?   ?  0.000000 25.04657 
1 1 1  -17  -13    6 o  108.401   24.691  157.343   65.344   0.0000   0.0000  157.343   65.344  ?   ?   108.401   24.691 0.000000 24.69112 
1 1 1  -17  -13    7 o  174.346   12.234  384.579   52.925  374.433  102.236  388.293   61.858  168.568   25.049  174.774   14.298 -6.205887 28.84244 
1 1 1  -17  -13    8 o  426.175   17.303  2307.28  184.144  2214.01  324.414  2351.62  223.668  407.997   32.101  428.569   20.899 -20.57108 38.30449 
1 1 1  -17  -13    9 o  218.710   12.280  604.470   66.798  636.806  127.609  592.266   78.396  221.116   23.469  215.945   14.624 5.170425 27.65284 
1 1 1  -17  -13   10 o  177.840   12.444  400.516   54.915  399.500  108.795  400.863   63.614  173.704   25.871  177.479   14.480 -3.775375 29.64695 
1 1 1  -17  -13   11 o  339.369   14.454  1456.84  122.490  1492.31  220.571  1441.03  147.289  337.542   26.378  336.039   17.614 1.503235 31.71774 
1 1 1  -17  -13   12 o  236.999   15.604  715.264   91.834  736.327  145.053  701.174  118.638  237.012   24.879  232.969   20.605 4.043488 32.30387 
1 1 1  -17  -13   13 o  309.846   13.871  1214.12  107.324  1301.52  198.735  1178.14  127.517  315.207   25.465  303.856   16.872 11.35086 30.54748 
1 1 1  -17  -13   14 o  156.926   12.430  312.659   48.313  394.965  111.049  293.443   53.657  171.909   26.737  151.574   14.347 20.33524 30.34301 
1 1 1  -17  -13   15 o  274.819   13.554  955.607   93.017  1028.74  179.151  928.615  108.837  279.233   25.991  269.679   16.237 9.554138 30.64561 
1 1 1  -17  -13   16 o  261.999   13.934  872.192   90.836  753.019  176.181  915.342  106.012  235.688   30.660  267.716   15.929 -32.02765 34.55150 
1 1 1  -17  -13   17 o  278.090   24.772  1021.07  170.228   0.0000   0.0000  1021.07  170.228  ?   ?   278.090   24.772 0.000000 24.77233 
1 1 1  -17  -13   18 o  177.245   13.391  400.741   58.831  424.707  135.509  395.175   65.307  174.304   32.322  175.517   15.046 -1.213165 35.65253 
1 1 1  -17  -13   19 o  116.267   14.176  174.568   40.306  260.032  119.417  163.580   42.818  133.728   35.258  112.065   15.734 21.66231 38.60905 
1 1 1  -17  -13   20 o   71.186   18.183   68.121   32.440   72.629  111.823   67.706   33.898   86.025   34.397   70.944   18.823 15.08051 39.21017 
1 1 1  -17  -13   21 o  142.081   16.107  263.639   56.139  405.070  132.000  232.408   62.029  166.651   32.886  132.003   19.396 34.64769 38.17998 
1 1 1  -17  -13   22 o  193.582   13.311  482.607   63.956  568.038  154.607  464.969   70.248  196.493   32.655  189.229   14.989 7.264801 35.93053 
1 1 1  -17  -13   23 o  199.540   13.607  515.520   67.397  372.110  158.993  546.935   74.414  148.385   41.360  204.991   14.633 -56.60652 43.87202 
1 1 1  -17  -13   24 o   71.624   25.884   67.206   59.409   4.1691  128.545   84.327   66.992   74.205   33.323   78.080   27.568 -3.874428 43.24832 
1 1 1  -17  -13   25 o   77.109   27.738   83.548   68.125   0.0000   0.0000   83.548   68.125  ?   ?    77.109   27.738 0.000000 27.73832 
1 1 1  -17  -13   26 o   71.146   26.929   67.202   65.643   0.0000   0.0000   67.202   65.643  ?   ?    71.146   26.929 0.000000 26.92945 
1 1 1  -17  -13   27 o  136.992   27.180  289.166   89.698   0.0000   0.0000  289.166   89.698  ?   ?   136.992   27.180 0.000000 27.17977 
1 1 1  -17  -13   28 o  155.307   26.415  371.764   98.779   0.0000   0.0000  371.764   98.779  ?   ?   155.307   26.415 0.000000 26.41541 
1 1 1  -17  -12    1 o   93.865   13.360  113.088   30.432   81.087   64.113  122.395   34.576   81.098   27.024   97.474   14.659 -16.37599 30.74406 
1 1 1  -17  -12    2 o  560.796   21.171  4010.29  296.480  4017.40  516.617  4006.80  362.031  547.709   38.007  557.607   26.000 -9.897705 46.04905 
1 1 1  -17  -12    3 o  252.367   13.013  803.844   81.732  760.406  150.975  821.853   97.209  241.823   25.379  254.654   15.358 -12.83141 29.66458 
1 1 1  -17  -12    4 o  184.449   15.708  433.005   71.664  461.058  103.772  407.428   99.087  188.571   22.480  176.972   22.963 11.59897 32.13461 
1 1 1  -17  -12    5 o  194.059   11.824  475.286   57.027  496.468  107.603  467.013   67.247  195.728   22.419  191.917   14.131 3.811752 26.50126 
1 1 1  -17  -12    6 o  198.359   11.828  496.609   58.324  469.066  110.825  507.159   68.590  189.630   23.937  200.077   13.813 -10.44699 27.63625 
1 1 1  -17  -12    7 o   67.957   24.767   49.651   54.558   0.0000   0.0000   49.651   54.558  ?   ?    67.957   24.767 0.000000 24.76748 
1 1 1  -17  -12    8 o  448.248   17.574  2551.70  196.721  2641.67  346.577  2508.93  238.944  447.123   31.236  442.568   21.620 4.554962 37.98881 
1 1 1  -17  -12    9 o  143.310   12.367  260.533   43.826  261.328   89.419  260.282   50.279  139.807   26.584  142.867   14.285 -3.059525 30.17875 
1 1 1  -17  -12   10 o  200.865   12.845  510.626   64.094  393.919  121.122  556.015   75.536  171.301   29.372  209.250   14.546 -37.94955 32.77649 
1 1 1  -17  -12   11 o  225.774   12.530  644.338   70.368  669.025  133.489  634.839   82.808  226.497   23.965  223.528   14.921 2.968796 28.23040 
1 1 1  -17  -12   12 o  238.166   16.101  722.598   95.195  634.887  146.404  786.845  125.300  219.074   27.358  247.094   20.492 -28.02007 34.18124 
1 1 1  -17  -12   13 o  428.338   17.204  2333.64  184.018  2280.41  326.281  2358.46  222.841  413.333   31.857  428.792   20.811 -15.45868 38.05210 
1 1 1  -17  -12   14 o  159.063   12.148  320.758   47.889  416.481  107.269  296.930   53.519  177.574   24.873  152.573   14.210 25.00108 28.64594 
1 1 1  -17  -12   15 o  259.882   13.418  855.800   86.784  797.169  166.265  877.755  101.743  245.074   27.651  262.538   15.589 -17.46350 31.74269 
1 1 1  -17  -12   16 o   87.215   16.093   99.634   33.758   89.561   93.618  101.139   36.193   88.345   32.406   87.653   17.149 0.6919861 36.66428 
1 1 1  -17  -12   17 o  219.696   12.561  611.719   68.624  619.799  143.095  609.305   78.204  215.473   27.200  218.754   14.396 -3.281158 30.77477 
1 1 1  -17  -12   18 o   94.347   28.197  120.501   71.547   0.0000   0.0000  120.501   71.547  ?   ?    94.347   28.197 0.000000 28.19654 
1 1 1  -17  -12   19 o  179.125   12.761  408.373   56.706  395.659  132.803  411.207   62.711  167.909   32.849  179.370   14.114 -11.46085 35.75297 
1 1 1  -17  -12   20 o  279.299   13.826  992.540   96.428  962.915  192.127  1002.52  111.488  265.244   29.506  279.372   16.048 -14.12851 33.58810 
1 1 1  -17  -12   21 o   84.893   16.942   95.940   34.658   74.080  117.736   98.014   36.265   87.540   35.191   85.668   17.542 1.872009 39.32081 
1 1 1  -17  -12   22 o  105.344   17.812  147.780   45.186  194.612  123.675  140.565   48.542  113.949   37.513  101.997   19.772 11.95198 42.40503 
1 1 1  -17  -12   23 o  134.380   13.211  233.481   43.759  422.065  134.705  211.232   46.268  168.468   33.200  127.181   14.848 41.28694 36.36906 
1 1 1  -17  -12   24 o  153.452   13.258  305.143   50.307  445.154  145.981  286.275   53.589  168.940   35.720  147.985   14.696 20.95428 38.62472 
1 1 1  -17  -12   25 o  117.508   14.625  182.281   41.986  191.127  140.865  181.418   43.985  107.146   39.674  116.868   15.451 -9.722107 42.57628 
1 1 1  -17  -12   26 o  149.930   26.493  331.542   95.563   0.0000   0.0000  331.542   95.563  ?   ?   149.930   26.493 0.000000 26.49288 
1 1 1  -17  -12   27 o  223.197   25.553  731.925  139.856   0.0000   0.0000  731.925  139.856  ?   ?   223.197   25.553 0.000000 25.55293 
1 1 1  -17  -12   28 o   42.775   20.400 -60.4189   60.545   0.0000   0.0000 -60.4189   60.545  ?   ?    42.775   20.400 0.000000 20.39989 
1 1 1  -17  -11    1 o  414.362   16.190  2168.43  167.522  2301.77  293.929  2104.27  203.876  421.286   28.100  406.950   20.062 14.33591 34.52703 
1 1 1  -17  -11    2 o  218.600   12.098  602.374   65.783  622.066  120.312  593.976   78.568  219.733   22.232  216.594   14.611 3.139038 26.60383 
1 1 1  -17  -11    3 o  186.747   12.245  440.293   56.789  349.536  105.921  476.905   67.275  162.646   27.027  194.075   13.975 -31.42839 30.42654 
1 1 1  -17  -11    4 o  108.616   12.840  150.469   34.152  145.648   71.186  151.911   38.925  104.283   27.091  108.791   14.705 -4.507912 30.82468 
1 1 1  -17  -11    5 o  137.667   11.600  239.842   39.507  294.025   80.664  222.743   45.314  150.174   22.177  132.230   13.933 17.94420 26.19044 
1 1 1  -17  -11    6 o  219.429   11.678  606.963   63.757  715.997  119.345  563.416   75.422  236.186   20.436  210.856   14.410 25.33020 25.00585 
1 1 1  -17  -11    7 o  253.246   22.788  828.191  142.570   0.0000   0.0000  828.191  142.570  ?   ?   253.246   22.788 0.000000 22.78823 
1 1 1  -17  -11    8 o  239.620   22.513  742.008  133.130   0.0000   0.0000  742.008  133.130  ?   ?   239.620   22.513 0.000000 22.51259 
1 1 1  -17  -11    9 o  343.123   14.417  1486.59  123.531  1516.77  220.564  1472.81  149.112  341.413   26.068  340.164   17.614 1.248993 31.46078 
1 1 1  -17  -11   10 o  179.142   12.205  405.848   54.274  384.716  105.500  413.453   63.292  170.795   25.518  180.428   14.161 -9.633240 29.18417 
1 1 1  -17  -11   11 o  468.644   18.731  2797.25  219.209  2637.70  384.888  2873.85  266.689  443.219   35.061  472.913   22.583 -29.69397 41.70425 
1 1 1  -17  -11   12 o  138.171   12.616  242.531   43.049  281.490   92.482  231.755   48.640  145.188   26.484  134.621   14.708 10.56631 30.29396 
1 1 1  -17  -11   13 o  442.677   21.706  2516.00  239.947  2548.50  346.982  2486.23  332.174  437.598   31.974  433.060   30.919 4.537506 44.47868 
1 1 1  -17  -11   14 o  232.988   12.665  686.467   73.411  732.357  141.382  669.527   85.899  236.818   24.249  229.484   15.073 7.333725 28.55208 
1 1 1  -17  -11   15 o  181.356   11.370  415.647   51.231  603.389  114.071  368.209   57.340  215.700   21.462  170.195   13.605 45.50481 25.41136 
1 1 1  -17  -11   16 o   93.991   15.734  115.006   35.624  108.384   93.840  116.122   38.507   93.551   32.657   94.165   17.001 -0.6135788 36.81774 
1 1 1  -17  -11   17 o  169.882   13.420  367.059   56.467  209.622  120.429  411.424   63.929  122.524   36.574  179.682   14.368 -57.15800 39.29469 
1 1 1  -17  -11   18 o   77.064   17.610   78.767   33.148   15.460  100.355   86.520   35.119   73.806   31.320   80.775   17.883 -6.969063 36.06573 
1 1 1  -17  -11   19 o  261.902   24.464  903.996  158.148   0.0000   0.0000  903.996  158.148  ?   ?   261.902   24.464 0.000000 24.46439 
1 1 1  -17  -11   20 o  211.609   12.317  568.408   64.804  710.718  147.425  534.324   72.148  230.584   26.060  204.588   14.210 25.99632 29.68283 
1 1 1  -17  -11   21 o  288.608   13.318  1058.33   95.986  1211.34  194.570  1009.11  110.348  300.501   26.190  280.411   15.823 20.09082 30.59933 
1 1 1  -17  -11   22 o  188.727   12.819  455.025   60.056  522.415  144.881  441.043   65.993  192.466   31.214  185.253   14.378 7.212784 34.36589 
1 1 1  -17  -11   23 o  131.106   16.774  225.727   53.660  294.198  131.444  212.034   58.781  138.756   37.182  126.031   19.291 12.72487 41.88839 
1 1 1  -17  -11   24 o  151.317   13.666  296.201   51.084  240.676  138.089  305.004   54.984  122.783   39.589  153.218   14.545 -30.43597 42.17649 
1 1 1  -17  -11   25 o  217.566   13.662  612.708   73.847  637.588  172.520  607.127   81.711  203.497   35.225  215.624   15.274 -12.12700 38.39375 
1 1 1  -17  -11   26 o  110.952   15.128  163.384   40.822  116.845  137.319  167.896   42.755   92.781   37.751  112.258   15.680 -19.47742 40.87817 
1 1 1  -17  -11   27 o  249.807   26.233  908.503  161.200   0.0000   0.0000  908.503  161.200  ?   ?   249.807   26.233 0.000000 26.23271 
1 1 1  -17  -11   28 o   50.975   23.190 -19.7414   64.698   0.0000   0.0000 -19.7414   64.698  ?   ?    50.975   23.190 0.000000 23.19017 
1 1 1  -17  -11   29 o  186.972   26.163  525.104  118.811   0.0000   0.0000  525.104  118.811  ?   ?   186.972   26.163 0.000000 26.16300 
1 1 1  -17  -11   30 o  170.792   26.956  450.929  111.154   0.0000   0.0000  450.929  111.154  ?   ?   170.792   26.956 0.000000 26.95617 
1 1 1  -17  -10    1 o  183.137   14.531  425.018   65.910  333.970   99.771  495.520   87.795  159.454   25.949  197.096   18.038 -37.64218 31.60201 
1 1 1  -17  -10    2 o  314.624   17.262  1255.23  135.106   0.0000   0.0000  1255.23  135.106  ?   ?   314.624   17.262 0.000000 17.26210 
1 1 1  -17  -10    3 o  431.798   31.031  2436.75  332.370  2436.75  332.370   0.0000   0.0000  431.798   31.031  ?   ?  0.000000 31.03102 
1 1 1  -17  -10    4 o   48.265   16.213   27.605   23.073   44.236   57.919   24.467   25.155   67.417   25.345   47.402   16.876 20.01500 30.44962 
1 1 1  -17  -10    5 o  249.247   12.164  780.992   75.713  852.862  138.029  750.061   90.552  257.721   21.648  243.391   14.971 14.33043 26.32035 
1 1 1  -17  -10    6 o  314.121   13.773  1243.15  108.040  1301.29  192.895  1216.57  130.415  317.448   24.523  309.594   16.933 7.853058 29.80128 
1 1 1  -17  -10    7 o  331.954   13.729  1388.58  113.810  1559.07  203.502  1310.98  137.287  347.928   23.561  321.279   17.174 26.64932 29.15599 
1 1 1  -17  -10    8 o  173.666   22.178  391.637   93.983   0.0000   0.0000  391.637   93.983  ?   ?   173.666   22.178 0.000000 22.17775 
1 1 1  -17  -10    9 o  351.028   14.703  1555.78  128.880  1608.01  230.384  1531.98  155.486  351.669   26.427  346.931   18.009 4.738129 31.98030 
1 1 1  -17  -10   10 o   65.514   16.421   56.465   26.812   69.381   66.893   53.993   29.266   77.631   27.533   64.229   17.686 13.40191 32.72366 
1 1 1  -17  -10   11 o  308.046   14.384  1198.24  110.646  1043.18  197.791  1268.87  133.487  281.598   28.521  315.864   16.986 -34.26596 33.19553 
1 1 1  -17  -10   12 o  395.095   15.858  1976.57  156.460  2151.03  278.859  1896.42  189.015  405.595   27.698  385.069   19.723 20.52573 34.00229 
1 1 1  -17  -10   13 o  224.184   13.089  635.793   72.957  533.826  136.162  676.855   86.407  200.669   27.929  230.855   15.071 -30.18602 31.73631 
1 1 1  -17  -10   14 o  302.036   17.716  1163.87  133.036  1058.67  197.861  1250.67  179.725  283.340   28.344  310.749   23.331 -27.40942 36.71151 
1 1 1  -17  -10   15 o  315.077   14.775  1255.97  116.253  1217.56  211.032  1272.71  139.295  303.942   28.123  315.791   17.736 -11.84869 33.24811 
1 1 1  -17  -10   16 o   69.250   17.644   63.367   30.599 -37.7478   86.682   77.760   32.704   60.250   27.182   76.702   17.465 -16.45196 32.30936 
1 1 1  -17  -10   17 o  220.463   12.555  615.079   68.836  734.716  141.688  578.117   78.755  236.930   24.291  213.132   14.891 23.79796 28.49203 
1 1 1  -17  -10   18 o  206.688   12.995  541.653   66.731  534.984  137.334  543.714   76.350  199.913   28.300  206.591   14.900 -6.677231 31.98286 
1 1 1  -17  -10   19 o  150.492   13.498  288.756   50.186  225.543  122.876  301.412   54.981  126.448   36.733  153.539   14.512 -27.09037 39.49569 
1 1 1  -17  -10   20 o  300.469   25.867  1194.41  192.195   0.0000   0.0000  1194.41  192.195  ?   ?   300.469   25.867 0.000000 25.86695 
1 1 1  -17  -10   21 o  234.760   12.622  699.708   73.722  881.724  160.612  651.123   82.980  257.553   25.299  225.736   14.802 31.81660 29.31120 
1 1 1  -17  -10   22 o  237.683   13.208  719.758   78.088  826.504  168.372  690.506   88.140  246.732   27.812  231.998   15.300 14.73370 31.74282 
1 1 1  -17  -10   23 o  136.934   13.887  241.588   46.829  365.556  132.844  223.997   50.041  158.234   34.585  131.282   15.567 26.95119 37.92712 
1 1 1  -17  -10   24 o  233.585   16.521  709.099   95.745  843.394  173.507  650.300  114.808  245.544   28.846  220.964   21.061 24.57968 35.71685 
1 1 1  -17  -10   25 o  296.116   14.269  1129.24  105.516  1252.46  216.969  1091.07  120.757  296.267   29.728  288.948   16.808 7.318695 34.15051 
1 1 1  -17  -10   26 o  318.435   13.570  1307.89  107.910  1863.57  236.320  1161.50  121.294  364.019   26.172  297.531   16.388 66.48727 30.87947 
1 1 1  -17  -10   27 o   74.948   17.920   77.487   33.086 -28.0795  143.483   83.416   34.002   73.527   33.854   77.812   17.875 -4.284775 38.28360 
1 1 1  -17  -10   29 o  109.492   29.923  190.874   84.146   0.0000   0.0000  190.874   84.146  ?   ?   109.492   29.923 0.000000 29.92261 
1 1 1  -17  -10   30 o   69.318   27.867   57.419   73.836   0.0000   0.0000   57.419   73.836  ?   ?    69.318   27.867 0.000000 27.86734 
1 1 1  -17  -10   31 o  231.419   27.132  827.133  153.820   0.0000   0.0000  827.133  153.820  ?   ?   231.419   27.132 0.000000 27.13221 
1 1 1  -17   -9    1 o  278.536   16.185  981.893  112.091  958.859  164.825  1001.71  152.889  272.907   24.445  279.751   22.064 -6.843872 32.92995 
1 1 1  -17   -9    2 o  279.540   13.912  983.309   97.112  1039.72  117.506  861.758  172.486  286.539   16.492  257.582   27.228 28.95673 31.83316 
1 1 1  -17   -9    3 o  356.155   12.701  1594.39  112.964  1612.22  159.882  1576.61  159.630  356.507   18.017  352.482   18.197 4.024323 25.60800 
1 1 1  -17   -9    4 o  243.954   12.333  749.788   74.891  787.067  135.209  733.289   89.950  247.578   22.102  240.725   15.039 6.853271 26.73327 
1 1 1  -17   -9    5 o  224.879   12.646  637.836   70.725  522.785  127.892  688.523   84.887  200.064   26.231  233.280   14.646 -33.21608 30.04288 
1 1 1  -17   -9    6 o  290.419   13.632  1062.00   98.867  1026.93  176.339  1078.08  119.398  281.665   25.342  291.603   16.464 -9.938293 30.22045 
1 1 1  -17   -9    7 o  192.759   10.869  467.952   52.105  609.409  100.385  415.788   60.960  218.413   18.582  181.209   13.570 37.20433 23.00919 
1 1 1  -17   -9    8 o  340.473   13.378  1459.88  113.743  1623.19  203.911  1386.12  137.044  355.318   23.107  330.583   16.654 24.73581 28.48316 
1 1 1  -17   -9    9 o  128.999   23.882  219.908   74.099   0.0000   0.0000  219.908   74.099  ?   ?   128.999   23.882 0.000000 23.88209 
1 1 1  -17   -9   10 o  320.241   14.329  1293.92  114.592  1175.85  204.041  1348.31  138.497  300.008   27.543  325.766   17.084 -25.75830 32.41128 
1 1 1  -17   -9   11 o  206.170   12.438  536.932   63.739  492.940  119.463  554.440   75.362  194.015   25.256  209.084   14.524 -15.06845 29.13433 
1 1 1  -17   -9   12 o  276.637   13.464  964.855   93.008  933.792  169.482  978.242  111.257  267.665   25.671  277.519   16.124 -9.854401 30.31442 
1 1 1  -17   -9   13 o  486.372   18.578  3009.95  225.638  3093.25  397.253  2970.27  274.154  482.347   33.182  480.867   22.831 1.479950 40.27790 
1 1 1  -17   -9   14 o  198.583   13.049  499.201   64.349  445.088  123.019  519.583   75.501  183.063   27.783  202.163   15.064 -19.10022 31.60398 
1 1 1  -17   -9   15 f  514.283   24.633  3418.73  316.355  3409.25  454.167  3427.67  440.914  502.503   36.441  505.153   35.172 -2.649597 50.64595 
1 1 1  -17   -9   16 o  132.222   13.340  222.776   43.443  187.939   95.835  231.786   48.738  117.166   31.897  134.604   14.741 -17.43803 35.13881 
1 1 1  -17   -9   17 o  101.540   14.521  132.949   35.771  219.622   93.449  118.070   38.720  126.760   29.990   95.046   16.934 31.71465 34.44109 
1 1 1  -17   -9   18 o  339.332   14.211  1456.55  120.420  1640.11  224.111  1382.05  142.783  354.227   25.506  329.032   17.440 25.19565 30.89843 
1 1 1  -17   -9   19 o  118.776   14.485  181.188   42.073  175.897  105.044  182.199   45.916  113.217   34.240  118.786   15.877 -5.569687 37.74180 
1 1 1  -17   -9   20 o  139.887   26.560  264.148   89.386   0.0000   0.0000  264.148   89.386  ?   ?   139.887   26.560 0.000000 26.55978 
1 1 1  -17   -9   21 o  131.553   14.257  222.010   46.087  123.382  117.956  239.779   50.067  100.117   36.428  136.607   14.919 -36.49086 39.36512 
1 1 1  -17   -9   22 o  280.609   13.812  999.789   96.783  1010.42  192.663  996.199  111.930  273.548   28.628  278.826   16.145 -5.277435 32.86668 
1 1 1  -17   -9   23 o  166.471   13.550  354.643   55.842  288.121  137.258  367.837   61.129  139.339   38.273  169.232   14.608 -29.89241 40.96630 
1 1 1  -17   -9   24 o  274.806   14.070  967.072   96.231  932.028  195.583  978.265  110.537  257.904   30.989  275.314   16.149 -17.40964 34.94408 
1 1 1  -17   -9   25 o  315.019   18.003  1297.04  141.037  1530.72  230.725  1157.62  178.208  332.038   28.090  291.907   24.679 40.13080 37.39077 
1 1 1  -17   -9   26 o  207.082   12.957  551.524   66.668  757.109  166.199  512.099   72.780  229.770   29.658  198.646   14.777 31.12386 33.13554 
1 1 1  -17   -9   27 o  128.715   14.572  217.252   46.014  249.483  154.542  214.117   48.201  120.728   41.922  127.395   15.469 -6.667580 44.68517 
1 1 1  -17   -9   28 o  170.382   13.413  378.092   56.609  613.021  166.194  347.259   60.209  196.701   35.123  162.403   15.016 34.29825 38.19837 
1 1 1  -17   -9   29 o  225.133   26.000  737.606  143.485   0.0000   0.0000  737.606  143.485  ?   ?   225.133   26.000 0.000000 26.00025 
1 1 1  -17   -9   30 o  128.829   29.535  260.033   92.989   0.0000   0.0000  260.033   92.989  ?   ?   128.829   29.535 0.000000 29.53520 
1 1 1  -17   -9   31 o   99.507   30.539  162.680   83.146   0.0000   0.0000  162.680   83.146  ?   ?    99.507   30.539 0.000000 30.53865 
1 1 1  -17   -9   32 o   70.725   28.408   65.344   76.653   0.0000   0.0000   65.344   76.653  ?   ?    70.725   28.408 0.000000 28.40773 
1 1 1  -17   -8    1 o  365.581   18.113  1689.35  165.354  1825.72  238.797  1563.74  229.192  376.996   25.516  348.369   26.545 28.62689 36.81987 
1 1 1  -17   -8    2 o  269.184   10.522  908.586   70.726  882.171   99.367  935.709  100.690  264.225   15.122  272.202   14.869 -7.976746 21.20817 
1 1 1  -17   -8    3 o  327.080   12.000  1343.36   98.011  1352.52  138.648  1334.22  138.570  326.824   17.047  324.570   17.158 2.253784 24.18664 
1 1 1  -17   -8    4 o  265.876   10.039  886.250   66.656  862.801   94.241  909.724   94.291  261.365   14.496  268.477   14.114 -7.112488 20.23181 
1 1 1  -17   -8    5 o  555.319   18.171  3903.81  251.982  3985.32  356.610  3822.53  356.105  557.331   25.623  545.532   26.140 11.79968 36.60382 
1 1 1  -17   -8    6 o  368.429   15.099  1711.61  138.916  1744.29  244.943  1696.12  168.664  367.149   26.903  365.400   18.545 1.748505 32.67591 
1 1 1  -17   -8    7 o  243.515   12.616  747.647   76.456  737.811  138.512  751.958   91.690  239.079   23.504  243.701   15.141 -4.621674 27.95901 
1 1 1  -17   -8    8 o  262.398   11.932  865.346   78.184  1020.62  143.683  800.033   93.188  282.470   20.509  251.413   14.909 31.05710 25.35610 
1 1 1  -17   -8    9 o   58.890   23.618   22.466   52.895   0.0000   0.0000   22.466   52.895  ?   ?    58.890   23.618 0.000000 23.61789 
1 1 1  -17   -8   10 o  185.047   22.027  443.390   99.787   0.0000   0.0000  443.390   99.787  ?   ?   185.047   22.027 0.000000 22.02725 
1 1 1  -17   -8   11 o  199.528   12.197  502.639   60.479  519.801  114.912  496.064   71.126  200.033   23.449  197.763   14.504 2.270126 27.57220 
1 1 1  -17   -8   12 o   49.707   16.712   29.364   24.516  -1.9899   65.942   34.393   26.409   58.319   25.084   53.038   17.329 5.281181 30.48723 
1 1 1  -17   -8   13 o  387.996   15.718  1904.34  152.289  1976.23  270.526  1870.99  184.258  388.907   28.044  382.854   19.335 6.052521 34.06327 
1 1 1  -17   -8   14 o  171.798   11.242  372.605   47.962  534.779  101.543  326.034   54.415  203.765   20.223  160.201   13.735 43.56367 24.44607 
1 1 1  -17   -8   15 o  369.202   15.317  1724.20  141.222  1789.61  251.927  1694.23  170.535  370.008   27.461  364.333   18.808 5.674774 33.28476 
1 1 1  -17   -8   16 o  159.579   15.051  324.822   59.271  311.958  103.904  331.028   72.164  152.452   28.336  160.302   18.358 -7.850113 33.76312 
1 1 1  -17   -8   17 o   97.638   14.845  123.210   35.056   93.752   86.741  128.960   38.325   88.694   31.364   99.699   15.930 -11.00488 35.17712 
1 1 1  -17   -8   18 o  369.159   15.430  1726.48  142.240  1832.80  258.749  1680.44  170.277  373.365   27.955  362.449   18.878 10.91656 33.73219 
1 1 1  -17   -8   19 o  118.800   14.223  180.949   41.357   92.828  101.890  198.331   45.252   91.089   33.739  124.305   14.873 -33.21586 36.87203 
1 1 1  -17   -8   20 o  302.083   14.049  1154.64  105.982  1305.91  201.795  1097.03  124.541  315.426   25.846  293.055   17.092 22.37143 30.98647 
1 1 1  -17   -8   21 o  117.923   29.069  191.121   85.056   0.0000   0.0000  191.121   85.056  ?   ?   117.923   29.069 0.000000 29.06927 
1 1 1  -17   -8   22 o  321.836   14.702  1315.67  118.159  1373.21  227.272  1294.35  138.322  320.185   28.730  317.647   17.506 2.537689 33.64333 
1 1 1  -17   -8   23 o  292.869   14.236  1090.49  104.117  1076.19  204.668  1095.48  120.934  281.551   29.551  292.144   16.646 -10.59280 33.91648 
1 1 1  -17   -8   24 o  161.018   13.108  331.525   52.247  578.128  136.575  289.249   56.549  206.075   27.205  149.665   15.348 56.40948 31.23544 
1 1 1  -17   -8   25 o  259.769   13.248  862.313   85.655  1111.97  185.704  794.844   96.537  285.925   26.304  248.249   15.653 37.67609 30.60861 
1 1 1  -17   -8   26 o   81.414   20.263   90.711   41.032   0.0000   0.0000   90.711   41.032  ?   ?    81.414   20.263 0.000000 20.26255 
1 1 1  -17   -8   27 o  101.521   38.576  147.946  135.027  147.946  135.027   0.0000   0.0000  101.521   38.576  ?   ?  0.000000 38.57562 
1 1 1  -17   -8   28 o  129.467   14.320  219.578   45.521  255.624  145.948  215.694   47.911  122.426   40.773  127.886   15.307 -5.459885 43.55161 
1 1 1  -17   -8   29 o  240.662   13.240  751.942   79.261  950.881  193.994  712.077   86.841  249.775   31.825  232.913   15.011 16.86200 35.18734 
1 1 1  -17   -8   30 o   92.748   30.668  133.969   82.624   0.0000   0.0000  133.969   82.624  ?   ?    92.748   30.668 0.000000 30.66794 
1 1 1  -17   -8   31 f   71.114   28.467   59.931   76.686   0.0000   0.0000   59.931   76.686  ?   ?    71.114   28.467 0.000000 28.46684 
1 1 1  -17   -8   32 o   72.172   28.589   67.611   76.568   0.0000   0.0000   67.611   76.568  ?   ?    72.172   28.589 0.000000 28.58889 
1 1 1  -17   -8   33 o  241.731   28.424  922.113  168.305   0.0000   0.0000  922.113  168.305  ?   ?   241.731   28.424 0.000000 28.42412 
1 1 1  -17   -7    1 o  147.714   22.659  283.519   80.915  283.519   80.915   0.0000   0.0000  147.714   22.659  ?   ?  0.000000 22.65930 
1 1 1  -17   -7    2 o  174.351   13.845  384.588   59.784  392.392   92.351  378.959   78.438  174.507   21.658  172.170   18.536 2.337311 28.50700 
1 1 1  -17   -7    3 o  308.668   12.014  1196.10   92.606  1242.31  131.117  1150.11  130.814  313.321   16.819  301.278   17.462 12.04269 24.24508 
1 1 1  -17   -7    4 f  320.665   11.917  1290.98   95.423  1331.62  135.101  1250.52  134.796  324.390   16.735  314.199   17.246 10.19101 24.03072 
1 1 1  -17   -7    5 f  133.748   9.8514  225.430   32.672  247.514   46.315  203.555   46.095  139.658   13.446  126.267   14.906 13.39073 20.07498 
1 1 1  -17   -7    6 o  212.551   9.1501  566.048   48.567  544.813   68.559  587.437   68.808  207.712   13.287  215.795   12.826 -8.083023 18.46808 
1 1 1  -17   -7    7 o  233.202   12.291  685.295   71.325  660.929  128.811  696.069   85.656  226.396   23.108  234.577   14.697 -8.179993 27.38560 
1 1 1  -17   -7    8 o  172.970   11.769  377.568   50.533  461.223   97.354  346.716   59.121  189.273   20.949  165.257   14.472 24.01582 25.46158 
1 1 1  -17   -7    9 o  255.621   12.245  821.461   78.167  838.075  142.154  814.261   93.586  255.203   22.538  253.674   14.838 1.529053 26.98358 
1 1 1  -17   -7   10 o  320.787   25.479  1331.66  202.424   0.0000   0.0000  1331.66  202.424  ?   ?   320.787   25.479 0.000000 25.47919 
1 1 1  -17   -7   11 o  223.971   11.741  632.213   65.437  718.049  125.086  599.871   76.782  236.285   21.433  217.676   14.203 18.60957 25.71153 
1 1 1  -17   -7   12 o  425.902   17.065  2297.76  181.492  2236.82  319.196  2326.88  220.626  412.332   31.232  427.159   20.683 -14.82651 37.45943 
1 1 1  -17   -7   13 o  188.061   11.895  446.526   55.574  484.067  108.332  433.119   64.742  193.076   22.916  184.780   14.138 8.295639 26.92645 
1 1 1  -17   -7   14 o  156.435   11.627  309.384   45.098  401.987   94.845  282.332   51.263  175.924   22.075  148.982   13.941 26.94211 26.10896 
1 1 1  -17   -7   15 o  149.706   12.769  284.282   47.279  249.480   96.448  295.290   54.243  135.876   29.288  152.274   14.437 -16.39742 32.65299 
1 1 1  -17   -7   16 o  297.058   16.882  1122.52  124.718  1158.05  187.456  1094.30  167.058  298.326   25.405  290.928   23.187 7.397888 34.39556 
1 1 1  -17   -7   17 o  193.582   13.100  474.543   62.953  362.047  122.577  514.845   73.368  163.506   31.159  201.317   14.696 -37.81096 34.45021 
1 1 1  -17   -7   18 o  178.661   12.489  404.097   55.370  417.792  116.825  400.130   62.881  177.323   27.255  177.396   14.317 -0.7319641E-01 30.78659 
1 1 1  -17   -7   19 o  458.496   17.662  2674.79  202.217  2863.88  361.045  2588.36  244.096  464.347   31.319  448.850   21.778 15.49756 38.14657 
1 1 1  -17   -7   20 o  133.187   14.218  226.785   46.556  166.985  110.206  239.774   51.364  111.261   35.314  136.744   15.304 -25.48257 38.48763 
1 1 1  -17   -7   21 o  297.641   13.557  1119.92  100.766  1253.01  194.861  1071.34  117.729  309.148   25.468  289.877   16.330 19.27155 30.25356 
1 1 1  -17   -7   22 f  319.734   26.957  1352.43  213.228   0.0000   0.0000  1352.43  213.228  ?   ?   319.734   26.957 0.000000 26.95721 
1 1 1  -17   -7   23 o  348.558   14.925  1544.45  129.913  1649.08  244.890  1503.47  153.255  351.360   28.147  342.086   18.004 9.274200 33.41214 
1 1 1  -17   -7   24 o  110.465   15.222  158.333   40.874  169.722  119.941  156.836   43.477  110.563   36.965  109.612   16.387 0.9508362 40.43460 
1 1 1  -17   -7   25 o   75.643   18.013   76.731   33.537   56.255  121.285   78.426   34.898   85.342   35.187   76.406   18.490 8.935654 39.74925 
1 1 1  -17   -7   26 o  218.000   13.482  608.815   73.033  785.617  168.057  567.652   81.090  237.702   28.907  209.572   15.607 28.13002 32.85110 
1 1 1  -17   -7   27 o  255.846   13.844  841.924   88.117  982.324  192.269  804.593   99.143  263.262   29.769  248.853   16.039 14.40952 33.81519 
1 1 1  -17   -7   28 o  137.753   14.707  247.892   49.811  224.401  143.226  251.124   53.127  117.495   40.383  138.255   15.665 -20.75971 43.31515 
1 1 1  -17   -7   29 o  138.289   14.536  250.759   49.447  183.863  149.026  259.034   52.416  106.785   40.538  140.264   15.208 -33.47798 43.29691 
1 1 1  -17   -7   30 o  116.192   14.684  178.719   41.655  398.292  160.411  162.841   43.135  149.613   41.488  110.192   16.155 39.42097 44.52213 
1 1 1  -17   -7   31 o   89.884   30.434  124.524   81.312   0.0000   0.0000  124.524   81.312  ?   ?    89.884   30.434 0.000000 30.43426 
1 1 1  -17   -7   32 o   63.008   27.052   23.972   76.450   0.0000   0.0000   23.972   76.450  ?   ?    63.008   27.052 0.000000 27.05161 
1 1 1  -17   -7   33 o   63.069   27.152   26.638   77.406   0.0000   0.0000   26.638   77.406  ?   ?    63.069   27.152 0.000000 27.15168 
1 1 1  -17   -6    1 o  273.511   15.881  945.402  108.003  915.243  156.552  972.792  149.192  267.132   23.715  276.011   21.824 -8.878815 32.22828 
1 1 1  -17   -6    2 o   84.234   16.948   92.637   34.415   80.374   59.658   98.753   42.131   80.351   26.033   86.633   19.894 -6.281982 32.76460 
1 1 1  -17   -6    3 o  188.627   9.3142  445.658   43.873  423.773   61.851  467.821   62.243  183.114   13.624  192.539   13.022 -9.425430 18.84625 
1 1 1  -17   -6    4 o  244.248   10.226  747.795   62.374  743.849   88.169  751.748   88.251  242.680   14.617  243.982   14.551 -1.301819 20.62510 
1 1 1  -17   -6    5 o  182.063   9.6511  416.514   43.722  401.810   61.562  431.480   62.105  178.189   13.946  184.755   13.556 -6.565964 19.44885 
1 1 1  -17   -6    6 o  101.385   10.683  130.336   26.639  152.895   37.413  107.136   37.941  109.357   14.023   90.609   17.401 18.74792 22.34785 
1 1 1  -17   -6    7 o  281.194   10.317  991.607   72.448  1005.17  102.609  978.122  102.304  282.122   14.615  278.255   14.776 3.867493 20.78272 
1 1 1  -17   -6    8 o  437.372   14.257  2409.25  155.711  2433.47  220.461  2385.14  219.956  437.680   20.171  433.253   20.330 4.426788 28.63888 
1 1 1  -17   -6    9 o  151.930   11.688  291.630   44.005  330.889   86.557  277.947   51.102  159.602   22.329  147.918   14.001 11.68449 26.35561 
1 1 1  -17   -6   10 o  136.116   12.513  234.904   42.055  186.253   83.781  251.291   48.625  117.682   28.754  140.556   14.041 -22.87394 31.99945 
1 1 1  -17   -6   11 o  388.997   28.755  1971.86  277.344   0.0000   0.0000  1971.86  277.344  ?   ?   388.997   28.755 0.000000 28.75486 
1 1 1  -17   -6   12 o  446.037   17.454  2520.55  194.411  2512.21  341.031  2524.57  236.625  437.287   31.440  444.819   21.302 -7.531281 37.97731 
1 1 1  -17   -6   13 o  347.933   14.987  1528.33  130.216  1533.65  231.598  1525.87  157.463  343.260   27.242  346.270   18.275 -3.010498 32.80418 
1 1 1  -17   -6   14 o   65.299   16.722   56.038   27.385   88.896   72.985   50.654   29.544   85.103   28.834   62.468   17.973 22.63556 33.97652 
1 1 1  -17   -6   15 o  129.876   13.016  214.535   41.647  192.449   87.913  220.926   47.290  119.186   29.657  131.500   14.650 -12.31397 33.07821 
1 1 1  -17   -6   16 o  421.143   15.519  2242.90  163.212  2685.16  292.121  2042.19  196.793  455.090   25.811  400.319   19.686 54.77109 32.46141 
1 1 1  -17   -6   17 o  311.030   17.381  1231.42  134.458  1251.97  200.998  1214.78  180.892  309.912   26.218  306.364   23.832 3.548431 35.43074 
1 1 1  -17   -6   18 o  240.213   12.537  728.760   74.942  875.351  145.739  676.065   87.379  260.147   22.660  230.704   15.253 29.44325 27.31568 
1 1 1  -17   -6   19 o  587.444   21.006  4419.63  308.155  4818.41  542.933  4230.12  374.282  597.499   36.564  570.696   26.263 26.80371 45.01848 
1 1 1  -17   -6   20 o  187.676   12.789  446.148   59.579  506.003  126.668  429.144   67.513  195.585   26.627  183.588   14.854 11.99625 30.48952 
1 1 1  -17   -6   21 o  240.276   12.870  730.487   76.941  801.605  154.023  706.839   88.817  247.244   25.303  235.738   15.168 11.50632 29.50093 
1 1 1  -17   -6   22 o  235.269   12.845  700.909   75.180  859.884  158.260  654.580   85.435  255.918   25.087  226.704   15.179 29.21388 29.32123 
1 1 1  -17   -6   23 o  141.332   28.204  272.098   96.055   0.0000   0.0000  272.098   96.055  ?   ?   141.332   28.204 0.000000 28.20449 
1 1 1  -17   -6   24 o  118.898   15.207  182.650   44.117  183.682  119.769  182.488   47.454  114.741   36.856  118.505   16.482 -3.763901 40.37380 
1 1 1  -17   -6   25 o  147.591   14.612  280.061   53.147   0.0000   0.0000  280.061   53.147  ?   ?   147.591   14.612 0.000000 14.61194 
1 1 1  -17   -6   26 o   98.813   18.659  130.302   44.355  244.509  126.490  114.290   47.362  128.238   37.274   91.745   21.111 36.49318 42.83731 
1 1 1  -17   -6   27 o  154.656   16.572  312.242   63.006  316.867  139.171  311.050   70.662  143.786   38.136  153.404   18.842 -9.618301 42.53637 
1 1 1  -17   -6   28 o  215.277   13.286  595.879   71.073  618.000  165.595  590.884   78.689  204.607   33.575  213.609   14.844 -9.001724 36.70954 
1 1 1  -17   -6   29 o  223.845   13.690  647.944   76.159  779.010  181.334  619.873   83.919  228.602   32.696  217.859   15.527 10.74255 36.19584 
1 1 1  -17   -6   30 o  218.402   13.762  619.784   74.673  658.806  182.176  611.903   81.867  202.576   37.390  216.033   15.274 -13.45743 40.38913 
1 1 1  -17   -6   31 o   64.576   18.788   57.529   32.124  119.700  153.223   54.670   32.854   93.668   39.161   63.142   19.161 30.52603 43.59719 
1 1 1  -17   -6   32 o  137.253   29.966  292.169   99.827   0.0000   0.0000  292.169   99.827  ?   ?   137.253   29.966 0.000000 29.96585 
1 1 1  -17   -6   33 o   72.932   29.640   62.881   84.522   0.0000   0.0000   62.881   84.522  ?   ?    72.932   29.640 0.000000 29.64005 
1 1 1  -17   -6   34 o   74.715   30.084   74.389   86.194   0.0000   0.0000   74.389   86.194  ?   ?    74.715   30.084 0.000000 30.08379 
1 1 1  -17   -5    1 o  602.986   27.124  4654.40  408.426  4997.78  580.521  4317.85  574.725  616.677   37.881  570.957   40.574 45.71973 55.50808 
1 1 1  -17   -5    2 o  409.470   19.598  2121.42  200.398  2304.42  286.987  1947.28  279.956  423.346   27.292  388.251   29.087 35.09497 39.88593 
1 1 1  -17   -5    3 o  239.889   10.775  721.484   64.546  759.684   91.112  682.998   91.452  245.249   14.948  232.323   15.858 12.92587 21.79308 
1 1 1  -17   -5    4 o  254.491   10.836  812.108   68.866  798.568   97.253  825.726   97.530  251.323   15.573  255.622   15.350 -4.298920 21.86622 
1 1 1  -17   -5    5 o  271.078   11.169  921.789   75.606  985.594  107.118  858.448  106.728  279.303   15.418  260.379   16.500 18.92325 22.58198 
1 1 1  -17   -5    6 o  327.370   12.592  1346.32  102.936  1395.40  145.687  1297.39  145.460  331.862   17.643  319.787   18.291 12.07468 25.41345 
1 1 1  -17   -5    7 o  320.801   12.134  1292.52   97.205  1275.79  137.463  1309.25  137.474  317.277   17.416  321.485   17.186 -4.207764 24.46846 
1 1 1  -17   -5    8 o  154.465   10.317  300.534   39.565  306.552   55.891  294.489   56.017  155.344   14.578  152.166   14.934 3.177948 20.87003 
1 1 1  -17   -5    9 o  572.919   17.921  4154.60  256.393  4130.57  362.575  4178.65  362.615  567.280   25.595  570.662   25.446 -3.382324 36.09124 
1 1 1  -17   -5   10 f  562.794   20.612  4028.85  289.687  4205.14  505.218  3942.50  353.587  563.414   36.099  553.998   25.559 9.415894 44.23067 
1 1 1  -17   -5   11 o  198.115   22.205  506.816  107.962   0.0000   0.0000  506.816  107.962  ?   ?   198.115   22.205 0.000000 22.20453 
1 1 1  -17   -5   12 o  218.295   16.256  605.528   87.982  625.317  130.133  588.867  119.408  219.614   24.126  213.486   22.749 6.128448 33.15995 
1 1 1  -17   -5   13 o  206.074   11.553  535.276   59.212  674.318  114.582  484.618   69.162  229.316   20.216  195.553   14.261 33.76315 24.74017 
1 1 1  -17   -5   14 o  176.738   12.178  394.683   53.418  400.969  105.007  392.489   62.046  175.028   24.712  175.860   14.251 -0.8320923 28.52685 
1 1 1  -17   -5   15 o  160.549   11.945  325.906   47.549  460.829   98.231  284.619   54.339  188.883   21.191  149.459   14.752 39.42380 25.82034 
1 1 1  -17   -5   16 o  362.346   15.529  1659.76  140.514  1649.33  250.910  1664.52  169.604  355.055   28.540  361.348   18.861 -6.293396 34.20943 
1 1 1  -17   -5   17 o  158.583   12.663  318.622   49.727  281.305  102.182  330.202   56.922  144.515   29.317  161.143   14.294 -16.62787 32.61604 
1 1 1  -17   -5   18 o  332.586   18.040  1409.37  149.270  1440.48  221.802  1383.62  201.810  332.207   26.969  326.573   24.935 5.634247 36.73002 
1 1 1  -17   -5   19 o  240.516   13.075  731.290   78.234  857.800  150.766  684.673   91.520  257.090   23.752  232.014   15.892 25.07620 28.57847 
1 1 1  -17   -5   20 o  384.449   15.651  1871.73  150.257  1935.02  271.707  1843.85  180.342  383.762   28.557  380.316   18.989 3.445282 34.29387 
1 1 1  -17   -5   21 o  242.587   12.630  743.845   76.243  831.522  153.070  714.916   87.926  252.402   24.598  237.237   14.918 15.16504 28.76811 
1 1 1  -17   -5   22 o  428.655   17.246  2338.09  184.604  2414.26  332.647  2304.19  221.911  425.389   31.539  423.636   20.977 1.753510 37.87798 
1 1 1  -17   -5   23 o  176.561   13.799  396.675   60.358  231.256  134.276  438.562   67.569  128.162   38.701  185.473   14.709 -57.31117 41.40257 
1 1 1  -17   -5   24 o  175.407   26.405  412.026  112.076   0.0000   0.0000  412.026  112.076  ?   ?   175.407   26.405 0.000000 26.40540 
1 1 1  -17   -5   25 o  113.516   26.747  177.042   74.575  226.877  126.558  150.534   92.302  125.649   37.490  104.469   32.195 21.18066 49.41682 
1 1 1  -17   -5   26 o   85.385   17.203   96.823   35.413  310.927  123.494   77.640   36.965  146.941   34.282   76.012   19.407 70.92853 39.39437 
1 1 1  -17   -5   27 o  156.804   14.236  316.539   55.135  265.421  141.359  325.711   59.877  132.047   39.672  158.714   15.297 -26.66718 42.51889 
1 1 1  -17   -5   28 o  107.545   18.256  154.422   47.276  111.696  132.551  160.650   50.604   96.060   37.753  109.377   19.229 -13.31715 42.36828 
1 1 1  -17   -5   29 o  121.466   14.861  193.030   44.138  202.958  137.129  191.883   46.619  113.849   39.493  120.731   15.845 -6.882553 42.55278 
1 1 1  -17   -5   30 o  247.615   13.117  791.019   80.819  1082.26  193.739  729.660   88.926  274.084   28.734  236.535   15.135 37.54906 32.47570 
1 1 1  -17   -5   31 o  116.091   15.003  178.342   42.477  524.199  159.233  151.846   44.074  180.637   36.555  106.041   17.236 74.59515 40.41463 
1 1 1  -17   -5   32 o   80.837   30.471   89.812   83.828   0.0000   0.0000   89.812   83.828  ?   ?    80.837   30.471 0.000000 30.47145 
1 1 1  -17   -5   33 o   91.813   31.591  132.605   87.657   0.0000   0.0000  132.605   87.657  ?   ?    91.813   31.591 0.000000 31.59054 
1 1 1  -17   -5   34 o  196.708   28.724  595.068  136.936   0.0000   0.0000  595.068  136.936  ?   ?   196.708   28.724 0.000000 28.72367 
1 1 1  -17   -5   35 o  164.524   30.918  440.549  122.362   0.0000   0.0000  440.549  122.362  ?   ?   164.524   30.918 0.000000 30.91788 
1 1 1  -17   -4    1 o  294.129   16.364  1093.26  119.715  1088.63  172.669  1097.54  166.126  291.539   23.928  293.050   22.883 -1.510681 33.10864 
1 1 1  -17   -4    2 o  393.338   19.836  1962.53  194.212  1830.46  276.837  2090.51  272.528  376.180   29.712  403.251   27.223 -27.07043 40.29730 
1 1 1  -17   -4    3 o  512.708   16.213  3312.17  207.579  3318.05  293.402  3306.28  293.720  510.826   23.001  509.892   23.068 0.9335938 32.57528 
1 1 1  -17   -4    4 o  401.379   13.961  2025.47  139.932  2093.77  197.811  1957.07  197.976  406.769   19.474  392.552   20.265 14.21689 28.10528 
1 1 1  -17   -4    5 o  302.403   11.520  1147.33   86.994  1152.02  122.640  1142.59  123.420  301.859   16.330  300.577   16.506 1.282166 23.21923 
1 1 1  -17   -4    6 o  187.588   9.6023  442.036   44.831  439.311   63.416  444.758   63.384  186.423   13.719  187.597   13.623 -1.174133 19.33361 
1 1 1  -17   -4    7 o  465.431   15.778  2730.91  183.387  2799.94  259.472  2662.02  259.223  469.102   22.150  457.186   22.705 11.91635 31.72002 
1 1 1  -17   -4    8 o  143.807   9.2958  260.180   33.204  252.321   46.919  268.065   46.996  141.012   13.489  145.450   13.079 -4.438248 18.78825 
1 1 1  -17   -4    9 o  367.499   12.831  1697.82  117.747  1676.30  166.480  1719.36  166.560  363.414   18.405  368.587   18.096 -5.172241 25.81074 
1 1 1  -17   -4   10 o  315.605   11.856  1251.18   93.442  1288.65  132.322  1213.90  131.973  318.945   16.672  309.401   17.148 9.544067 23.91647 
1 1 1  -17   -4   11 o  121.794   10.433  187.450   31.425  201.855   44.494  173.113   44.390  125.771   14.428  116.096   15.715 9.674316 21.33388 
1 1 1  -17   -4   12 o  176.245   22.596  402.802   97.158   0.0000   0.0000  402.802   97.158  ?   ?   176.245   22.596 0.000000 22.59576 
1 1 1  -17   -4   13 o  374.722   15.498  1772.88  145.024  1805.16  256.875  1757.78  175.705  372.643   27.805  371.630   18.997 1.013245 33.67443 
1 1 1  -17   -4   14 o  224.193   11.864  633.534   66.186  795.882  125.709  571.271   77.850  249.225   20.377  212.294   14.777 36.93037 25.17095 
1 1 1  -17   -4   15 o  108.668   13.935  151.212   36.944   62.503   80.045  175.223   41.645   79.050   29.780  116.981   14.572 -37.93093 33.15436 
1 1 1  -17   -4   16 o  114.938   13.336  168.592   37.564  149.947   83.787  173.282   42.025  105.758   30.218  116.261   14.812 -10.50242 33.65306 
1 1 1  -17   -4   17 o  101.741   14.577  133.215   35.976   84.020   84.930  143.972   39.715   85.963   30.966  105.650   15.515 -19.68714 34.63562 
1 1 1  -17   -4   18 o  242.795   16.297  749.513   98.236  662.009  151.316  813.263  129.155  224.343   27.591  251.590   20.742 -27.24698 34.51847 
1 1 1  -17   -4   19 o  305.224   13.583  1174.81  103.531  1253.97  190.072  1141.42  123.451  310.949   24.681  299.701   16.559 11.24835 29.72154 
1 1 1  -17   -4   20 o  147.079   12.440  274.328   45.261  462.334  105.544  231.963   50.102  188.425   22.902  134.619   15.168 53.80574 27.46906 
1 1 1  -17   -4   21 o  400.842   15.983  2036.02  159.984  2128.96  288.655  1994.82  192.206  402.351   28.922  395.365   19.468 6.985626 34.86380 
1 1 1  -17   -4   22 o  313.485   14.103  1241.94  110.405  1440.67  209.813  1165.84  129.833  332.295   25.479  302.361   17.267 29.93405 30.77840 
1 1 1  -17   -4   23 o  320.182   14.931  1298.62  119.380  1278.33  224.858  1306.59  140.874  310.209   29.377  319.774   17.711 -9.564545 34.30280 
1 1 1  -17   -4   24 f  112.222   31.086  173.442   90.109   0.0000   0.0000  173.442   90.109  ?   ?   112.222   31.086 0.000000 31.08593 
1 1 1  -17   -4   25 o  158.287   16.295  322.554   63.489  411.492  136.166  297.848   71.767  172.050   32.892  151.063   19.478 20.98718 38.22667 
1 1 1  -17   -4   26 o  287.395   13.544  1048.46   97.200  1310.17  198.088  965.457  111.553  313.958   25.486  274.306   16.360 39.65125 30.28486 
1 1 1  -17   -4   27 o  144.059   14.256  267.032   50.611  336.773  133.554  255.337   54.690  151.807   35.810  140.339   15.885 11.46819 39.17515 
1 1 1  -17   -4   28 o   69.561   18.689   65.132   33.156  143.831  127.258   59.401   34.342  102.957   37.780   66.698   19.432 36.25919 42.48486 
1 1 1  -17   -4   29 o   93.377   18.769  117.814   42.248  160.992  132.677  112.942   44.567  105.663   38.606   90.943   20.154 14.71981 43.55022 
1 1 1  -17   -4   30 f  132.775   14.342  229.820   46.798  283.954  143.368  223.364   49.509  131.675   40.041  130.420   15.506 1.254776 42.93884 
1 1 1  -17   -4   31 o  263.092   14.595  900.675   95.513  881.414  210.068  905.694  107.238  237.033   36.674  262.407   16.448 -25.37341 40.19340 
1 1 1  -17   -4   32 o   46.377   17.508   22.331   27.702 -22.6620  146.979   23.989   28.208   74.856   34.391   47.338   17.709 27.51798 38.68297 
1 1 1  -17   -4   33 o  122.974   32.220  240.998  100.133   0.0000   0.0000  240.998  100.133  ?   ?   122.974   32.220 0.000000 32.22004 
1 1 1  -17   -4   34 o  169.308   29.896  442.575  121.777   0.0000   0.0000  442.575  121.777  ?   ?   169.308   29.896 0.000000 29.89598 
1 1 1  -17   -4   35 o  157.456   31.227  398.917  118.448   0.0000   0.0000  398.917  118.448  ?   ?   157.456   31.227 0.000000 31.22721 
1 1 1  -17   -4   36 o  100.512   32.085  175.272   90.876   0.0000   0.0000  175.272   90.876  ?   ?   100.512   32.085 0.000000 32.08538 
1 1 1  -17   -3    1 o  294.862   16.452  1098.81  120.660  1080.51  173.431  1115.99  167.979  290.386   24.135  295.504   22.943 -5.117828 33.30037 
1 1 1  -17   -3    2 o  208.129   12.091  545.359   62.570  517.523  109.676  558.790   76.184  200.739   22.253  210.295   14.598 -9.555481 26.61412 
1 1 1  -17   -3    3 o  264.905   10.579  879.572   69.979  870.912   98.423  888.425   99.517  262.658   15.069  265.291   15.084 -2.632904 21.32132 
1 1 1  -17   -3    4 o  510.482   16.710  3285.58  213.017  3323.17  301.107  3247.92  301.397  510.937   23.600  504.995   23.900 5.942413 33.58804 
1 1 1  -17   -3    5 o  344.773   11.824  1491.62  101.801  1456.38  143.617  1527.21  144.322  339.787   16.926  348.018   16.607 -8.231201 23.71205 
1 1 1  -17   -3    6 o  379.180   13.029  1806.43  123.370  1865.88  174.497  1747.02  174.447  384.237   18.186  371.164   18.883 13.07376 26.21675 
1 1 1  -17   -3    7 o  188.464   9.5768  446.165   44.923  473.163   63.456  419.039   63.607  193.587   13.205  181.975   14.107 11.61176 19.32349 
1 1 1  -17   -3    8 o  144.281   9.4842  261.951   33.981  272.843   48.027  251.033   48.085  146.734   13.250  140.595   13.877 6.139114 19.18676 
1 1 1  -17   -3    9 o  241.415   10.867  731.180   65.511  761.701   92.772  700.823   92.522  245.383   15.215  235.205   15.845 10.17877 21.96688 
1 1 1  -17   -3   10 o  251.098   10.617  790.954   66.574  747.466   93.773  835.147   94.530  242.967   15.537  257.036   14.790 -14.06969 21.45063 
1 1 1  -17   -3   11 o  154.731   9.4309  301.184   36.266  316.931   51.489  285.680   51.089  158.198   13.153  150.030   13.791 8.167542 19.05746 
1 1 1  -17   -3   12 o  253.891   14.952  815.554   94.380  750.187  126.817  896.706  141.301  241.846   21.213  264.446   21.586 -22.59967 30.26408 
1 1 1  -17   -3   13 o  253.396   12.593  807.504   79.685  802.128   96.507  819.023  141.257  251.642   15.432  252.236   22.668 -0.5945892 27.42250 
1 1 1  -17   -3   14 o  332.576   14.329  1394.28  119.003  1492.01  212.493  1349.62  143.641  339.815   25.221  325.930   17.715 13.88495 30.82070 
1 1 1  -17   -3   15 o  220.027   12.151  610.552   66.504  669.711  125.432  587.418   78.437  227.882   22.329  215.310   14.676 12.57217 26.71979 
1 1 1  -17   -3   16 o   67.715   17.119   60.305   28.964  122.758   75.703   49.596   31.349   96.522   29.040   62.177   18.683 34.34412 34.53037 
1 1 1  -17   -3   17 o  103.301   14.347  137.100   36.009   92.941   81.961  147.663   40.085   87.964   30.531  107.051   15.441 -19.08709 34.21356 
1 1 1  -17   -3   18 o  337.241   14.420  1435.13  121.436  1579.34  220.102  1372.02  145.603  349.103   25.422  328.375   17.823 20.72845 31.04749 
1 1 1  -17   -3   19 o  249.067   15.363  787.000   95.084  929.105  151.552  694.753  122.106  268.250   22.842  232.240   21.292 36.01097 31.22622 
1 1 1  -17   -3   20 o  232.621   12.564  683.345   72.715  825.815  143.161  633.810   84.415  252.657   22.941  223.410   15.222 29.24716 27.53116 
1 1 1  -17   -3   21 o  266.366   12.375  893.502   82.314  1143.06  163.203  808.359   95.328  297.759   22.107  252.373   15.197 45.38638 26.82631 
1 1 1  -17   -3   22 o  314.974   13.593  1252.11  106.917  1626.25  205.846  1113.89  125.118  354.568   23.380  295.721   17.015 58.84665 28.91547 
1 1 1  -17   -3   23 o  258.062   14.377  844.660   92.284  782.668  177.901  867.482  107.942  242.151   30.067  260.850   16.658 -18.69852 34.37315 
1 1 1  -17   -3   24 o  290.730   28.716  1122.30  205.753  1122.30  205.753   0.0000   0.0000  290.730   28.716  ?   ?  0.000000 28.71563 
1 1 1  -17   -3   25 o  140.065   29.531  269.035  100.037   0.0000   0.0000  269.035  100.037  ?   ?   140.065   29.531 0.000000 29.53115 
1 1 1  -17   -3   26 o  324.757   14.190  1338.94  115.079  1554.82  225.200  1262.64  133.879  342.117   26.568  313.746   17.153 28.37100 31.62411 
1 1 1  -17   -3   27 o  104.390   16.753  142.914   42.195   74.380  121.593  152.297   44.991   89.383   35.822  107.669   17.321 -18.28664 39.78988 
1 1 1  -17   -3   28 o  162.986   14.354  341.666   57.825  287.377  145.914  351.780   62.981  137.478   40.055  165.017   15.464 -27.53886 42.93670 
1 1 1  -17   -3   29 o  201.506   13.887  521.776   69.453  570.567  167.793  511.689   76.295  196.769   35.452  198.860   15.486 -2.090424 38.68669 
1 1 1  -17   -3   30 o  238.788   17.651  748.337  104.507  758.780  191.109  743.882  124.824  225.516   35.075  235.380   21.472 -9.864334 41.12597 
1 1 1  -17   -3   31 o  236.657   13.796  724.150   81.176  878.630  190.958  690.077   89.683  243.669   32.169  229.835   15.720 13.83449 35.80439 
1 1 1  -17   -3   32 o  199.987   13.584  519.117   67.436  696.635  184.321  491.683   72.460  209.959   36.479  193.750   15.095 16.20923 39.47888 
1 1 1  -17   -3   33 o  229.470   14.320  688.159   81.649  772.614  205.821  672.387   88.947  214.647   39.866  225.666   15.885 -11.01892 42.91447 
1 1 1  -17   -3   34 o  134.358   32.993  290.281  109.889   0.0000   0.0000  290.281  109.889  ?   ?   134.358   32.993 0.000000 32.99336 
1 1 1  -17   -3   35 o   71.437   28.886   58.833   79.832   0.0000   0.0000   58.833   79.832  ?   ?    71.437   28.886 0.000000 28.88599 
1 1 1  -17   -3   36 o  169.163   28.669  446.258  116.781   0.0000   0.0000  446.258  116.781  ?   ?   169.163   28.669 0.000000 28.66879 
1 1 1  -17   -3   37 o   64.931   27.711   38.305   79.364   0.0000   0.0000   38.305   79.364  ?   ?    64.931   27.711 0.000000 27.71114 
1 1 1  -17   -2    1 o  374.749   18.909  1779.15  176.382  1792.55  251.805  1766.23  247.144  373.317   27.198  370.678   26.882 2.638702 38.24096 
1 1 1  -17   -2    2 o  106.683   10.342  143.949   27.207  145.943   37.250  141.669   39.833  106.808   14.327  104.956   15.679 1.851631 21.23866 
1 1 1  -17   -2    3 o  478.496   15.907  2883.65  190.067  2938.23  268.505  2828.83  269.087  480.984   22.355  471.770   22.841 9.214111 31.95998 
1 1 1  -17   -2    4 o  258.006   10.917  834.608   70.340  851.169   99.036  817.750   99.921  259.586   15.346  254.332   15.811 5.254684 22.03385 
1 1 1  -17   -2    5 o  289.222   11.302  1049.19   81.628  1036.70  115.005  1061.87  115.879  286.379   16.147  289.862   16.072 -3.483856 22.78248 
1 1 1  -17   -2    6 o  172.238   9.9416  372.968   42.578  417.783   59.908  327.222   60.526  181.861   13.283  160.495   15.287 21.36595 20.25149 
1 1 1  -17   -2    7 o  377.038   12.687  1785.68  119.455  1835.68  168.905  1735.65  168.966  381.189   17.744  370.529   18.261 10.65997 25.46205 
1 1 1  -17   -2    8 o  221.081   9.2349  612.281   50.984  576.155   71.500  649.650   72.720  213.650   13.470  227.017   12.881 -13.36737 18.63767 
1 1 1  -17   -2    9 o  395.606   13.777  1968.88  136.102  2013.88  192.656  1924.04  192.298  398.648   19.353  389.022   19.861 9.626465 27.73059 
1 1 1  -17   -2   10 o  212.399   10.214  565.696   54.177  599.140   76.730  532.447   76.505  217.705   14.192  205.015   15.049 12.68938 20.68487 
1 1 1  -17   -2   11 o  178.336   10.267  400.175   45.529  482.786   64.974  320.483   63.816  195.449   13.393  158.502   16.358 36.94632 21.14158 
1 1 1  -17   -2   12 o  210.052   13.737  557.728   71.658  472.318   93.278  680.713  111.932  191.915   19.745  230.782   19.608 -38.86710 27.82710 
1 1 1  -17   -2   13 o  154.812   13.828  304.133   52.897  291.347   66.597  325.988   87.067  150.633   18.065  158.285   22.675 -7.652451 28.99128 
1 1 1  -17   -2   14 o  357.950   13.495  1613.13  120.626  1635.53  170.671  1590.77  170.512  358.448   19.136  353.404   19.395 5.044067 27.24645 
1 1 1  -17   -2   15 o  349.664   15.195  1543.10  132.675  1541.42  235.790  1543.89  160.493  344.250   27.662  348.383   18.514 -4.133484 33.28621 
1 1 1  -17   -2   16 o   98.922   14.757  126.078   35.339  112.737   78.810  129.436   39.536   93.604   29.879   99.915   16.416 -6.311119 34.09198 
1 1 1  -17   -2   17 o  228.879   13.326  661.943   75.834  585.056  140.063  693.830   90.199  211.132   27.198  233.856   15.534 -22.72400 31.32143 
1 1 1  -17   -2   18 o  191.175   12.578  461.873   59.712  484.082  118.220  454.266   69.187  192.397   25.213  189.160   14.764 3.237228 29.21740 
1 1 1  -17   -2   19 o  159.466   12.687  322.090   50.102  403.095  105.472  298.484   56.936  175.391   24.771  153.010   15.098 22.38103 29.00925 
1 1 1  -17   -2   20 o  332.044   18.060  1404.10  149.189  1452.56  223.469  1365.12  200.384  333.764   27.044  324.547   24.915 9.216614 36.77174 
1 1 1  -17   -2   21 o   73.049   17.415   70.388   31.318  173.619   93.084   57.211   33.257  113.136   31.686   66.271   19.070 46.86427 36.98202 
1 1 1  -17   -2   22 f  136.983   13.358  238.828   45.113  342.191  112.041  218.828   49.284  159.573   29.193  130.646   15.403 28.92729 33.00683 
1 1 1  -17   -2   23 o  124.587   16.809  200.414   50.961   0.0000   0.0000  200.414   50.961  ?   ?   124.587   16.809 0.000000 16.80921 
1 1 1  -17   -2   24 o  296.789   13.714  1112.92  101.638  1266.56  196.960  1057.16  118.658  311.192   25.572  288.031   16.567 23.16135 30.46913 
1 1 1  -17   -2   25 o  134.654   14.919  232.547   49.322  396.230  127.604  203.797   53.478  170.326   31.149  125.286   17.577 45.03997 35.76573 
1 1 1  -17   -2   26 o  160.104   28.394  348.180  109.365   0.0000   0.0000  348.180  109.365  ?   ?   160.104   28.394 0.000000 28.39415 
1 1 1  -17   -2   27 o  195.999   13.488  489.559   65.616  615.313  152.672  461.068   72.670  212.367   29.593  189.572   15.486 22.79532 33.39988 
1 1 1  -17   -2   28 o  283.321   13.984  1022.23   98.935  1149.56  200.203  981.085  113.802  291.099   27.882  276.013   16.588 15.08560 32.44331 
1 1 1  -17   -2   29 o  203.601   13.112  530.104   66.309  617.817  160.345  512.008   72.828  208.874   31.740  199.468   14.725 9.405151 34.98952 
1 1 1  -17   -2   30 o  258.773   14.757  863.455   94.965  850.718  199.022  867.210  108.059  241.498   33.938  258.101   16.858 -16.60263 37.89491 
1 1 1  -17   -2   31 o  213.375   16.175  594.795   85.547  916.210  178.499  498.956   97.471  254.007   28.641  192.720   20.571 61.28708 35.26287 
1 1 1  -17   -2   32 o  244.283   13.749  772.350   83.529  937.437  200.051  737.492   91.926  250.134   32.819  237.504   15.586 12.62994 36.33203 
1 1 1  -17   -2   33 o  156.046   13.586  317.226   52.414  487.645  177.461  300.938   54.862  167.280   42.421  151.431   14.693 15.84894 44.89315 
1 1 1  -17   -2   34 o  155.529   13.763  316.508   52.902  479.649  185.434  302.053   55.196  160.493   44.643  151.382   14.790 9.111145 47.02866 
1 1 1  -17   -2   35 o  180.842   28.765  493.860  125.552   0.0000   0.0000  493.860  125.552  ?   ?   180.842   28.765 0.000000 28.76516 
1 1 1  -17   -2   36 o  132.351   32.009  286.123  104.632   0.0000   0.0000  286.123  104.632  ?   ?   132.351   32.009 0.000000 32.00868 
1 1 1  -17   -2   37 o  109.657   33.008  208.961   97.791   0.0000   0.0000  208.961   97.791  ?   ?   109.657   33.008 0.000000 33.00830 
1 1 1  -17   -1    1 o  169.347   9.7635  360.439   41.114  343.180   57.051  379.087   59.303  164.645   14.009  173.131   13.832 -8.485245 19.68708 
1 1 1  -17   -1    2 o  127.056   9.7190  203.394   30.603  184.052   41.738  225.882   45.004  120.179   14.181  133.382   13.706 -13.20268 19.72210 
1 1 1  -17   -1    3 o  352.428   12.623  1559.40  111.090  1522.54  156.451  1596.87  157.767  346.769   18.130  355.680   17.763 -8.910736 25.38121 
1 1 1  -17   -1    4 o   91.612   11.054  106.748   24.777  107.594   33.896  105.779   36.309   91.223   15.430   90.196   16.737 1.027016 22.76406 
1 1 1  -17   -1    5 o  270.979   10.974  920.772   74.257  889.455  104.447  952.781  105.594  265.257   15.840  274.648   15.459 -9.390320 22.13363 
1 1 1  -17   -1    6 o  280.233   11.145  984.962   77.991  1006.13  109.909  963.494  110.688  282.188   15.659  276.026   16.128 6.161499 22.47926 
1 1 1  -17   -1    7 o  283.530   11.422  1008.61   80.874  1074.84  114.309  942.238  114.436  291.641   15.754  272.755   16.884 18.88568 23.09266 
1 1 1  -17   -1    8 o  151.662   10.015  289.540   37.717  316.191   52.976  262.143   53.712  158.010   13.557  143.477   15.224 14.53307 20.38541 
1 1 1  -17   -1    9 o  342.682   12.840  1475.77  109.879  1535.70  155.235  1415.59  155.551  348.065   17.921  333.906   18.731 14.15906 25.92273 
1 1 1  -17   -1   10 o  272.304   10.816  930.221   73.550  914.005  103.786  946.580  104.246  268.812   15.527  273.623   15.318 -4.810547 21.81138 
1 1 1  -17   -1   11 o  250.595   10.035  787.386   62.797  783.785   88.948  790.964   88.669  249.073   14.362  250.237   14.248 -1.164719 20.23059 
1 1 1  -17   -1   12 o  294.384   12.094  1088.83   88.903  1106.57  126.122  1071.31  125.338  295.360   17.174  290.554   17.354 4.806458 24.41504 
1 1 1  -17   -1   13 o  237.825   15.695  716.846   92.688  811.344  125.150  602.042  137.943  251.943   20.058  214.916   26.248 37.02737 33.03483 
1 1 1  -17   -1   14 o  402.382   14.400  2040.46  144.692  2136.96  204.870  1944.42  204.383  410.028   20.009  390.220   21.052 19.80759 29.04355 
1 1 1  -17   -1   15 o  270.552   11.047  919.084   74.633  928.273  105.640  909.929  105.453  270.694   15.695  267.963   15.830 2.730652 22.29153 
1 1 1  -17   -1   16 o  179.013   10.972  403.872   48.810  630.350  100.398  333.774   55.855  222.239   18.252  162.179   13.927 60.05974 22.95844 
1 1 1  -17   -1   17 o  160.285   13.019  325.470   51.661  267.980  101.020  345.830   60.117  141.148   29.606  164.928   14.752 -23.78065 33.07754 
1 1 1  -17   -1   18 o  137.674   13.297  240.865   45.147  124.193   94.074  275.777   51.460   98.846   32.726  147.236   14.171 -48.38956 35.66232 
1 1 1  -17   -1   19 o  197.802   13.103  494.810   64.355  447.978  124.085  512.043   75.270  184.057   27.869  200.815   15.121 -16.75824 31.70680 
1 1 1  -17   -1   20 o  415.033   19.556  2192.86  202.685  2525.80  298.582  1908.32  276.026  440.709   27.265  381.742   29.176 58.96710 39.93264 
1 1 1  -17   -1   21 o  316.420   14.538  1264.07  114.874  1306.00  211.154  1246.44  136.908  316.371   26.985  312.937   17.591 3.433685 32.21235 
1 1 1  -17   -1   22 f  270.268   13.379  920.992   90.299  1084.83  179.781  865.713  104.427  288.800   25.181  260.990   16.101 27.80969 29.88837 
1 1 1  -17   -1   23 o  128.061   34.926  226.398  114.778  226.398  114.778   0.0000   0.0000  128.061   34.926  ?   ?  0.000000 34.92638 
1 1 1  -17   -1   24 o  328.265   14.628  1362.93  119.911  1472.85  225.910  1319.81  141.488  335.039   27.237  321.624   17.684 13.41452 32.47486 
1 1 1  -17   -1   25 o  316.300   14.172  1265.64  111.939  1583.13  216.897  1150.37  130.689  348.150   25.117  300.045   17.518 48.10477 30.62254 
1 1 1  -17   -1   26 o  228.674   15.246  666.720   86.563   0.0000   0.0000  666.720   86.563  ?   ?   228.674   15.246 0.000000 15.24617 
1 1 1  -17   -1   27 o  208.447   20.338  565.721  104.515  396.666  160.955  688.968  137.430  165.058   39.564  228.215   24.498 -63.15706 46.53500 
1 1 1  -17   -1   28 o   93.780   17.300  116.205   39.023  105.293  125.527  117.372   41.057   96.334   37.053   94.035   18.141 2.298523 41.25572 
1 1 1  -17   -1   29 o  195.869   13.219  490.229   64.279  722.086  157.549  443.928   70.405  229.565   28.067  185.611   15.327 43.95398 31.97944 
1 1 1  -17   -1   30 o  112.296   15.979  165.415   43.544  135.089  134.326  168.975   46.030  101.432   38.491  113.247   16.785 -11.81505 41.99176 
1 1 1  -17   -1   31 o  152.683   17.019  306.577   63.785  308.791  150.661  306.093   70.406  138.380   40.812  151.637   19.011 -13.25703 45.02230 
1 1 1  -17   -1   32 o  212.040   13.624  580.842   71.757  766.927  180.005  545.684   78.242  227.431   32.629  204.532   15.433 22.89847 36.09483 
1 1 1  -17   -1   33 o   96.241   17.042  124.907   39.458  147.879  156.149  123.340   40.782  100.965   40.549   95.326   17.786 5.639862 44.27785 
1 1 1  -17   -1   34 o  144.884   14.484  275.614   51.702  490.841  182.343  256.798   53.914  165.711   43.509  139.169   15.793 26.54152 46.28676 
1 1 1  -17   -1   35 o  171.794   13.958  386.696   59.364  537.534  196.893  371.613   62.261  168.086   45.704  167.775   15.020 0.3114014 48.10844 
1 1 1  -17   -1   36 o  159.584   30.144  395.209  115.725   0.0000   0.0000  395.209  115.725  ?   ?   159.584   30.144 0.000000 30.14422 
1 1 1  -17   -1   37 o   83.877   31.818  108.475   91.767   0.0000   0.0000  108.475   91.767  ?   ?    83.877   31.818 0.000000 31.81814 
1 1 1  -17   -1   38 o   66.608   28.710   37.672   86.760   0.0000   0.0000   37.672   86.760  ?   ?    66.608   28.710 0.000000 28.71016 
1 1 1  -17    0    1 o  252.375   10.374  798.302   65.380  773.528   91.531  824.109   93.420  247.496   14.879  255.520   14.703 -8.023666 20.91780 
1 1 1  -17    0    2 o  397.832   13.710  1989.26  136.204  1974.42  192.030  2004.29  193.218  395.025   19.467  398.010   19.440 -2.984711 27.51150 
1 1 1  -17    0    3 o  240.950   10.799  727.881   64.975  734.388   91.078  721.138   92.721  241.073   15.207  238.798   15.635 2.275085 21.81084 
1 1 1  -17    0    4 o   70.966   13.361   65.327   22.809   62.991   30.908   68.120   33.799   69.332   17.770   72.079   18.639 -2.746521 25.75259 
1 1 1  -17    0    5 o   68.096   13.732   60.360   22.544   56.189   29.996   65.773   34.176   65.639   17.835   70.898   18.943 -5.258591 26.01798 
1 1 1  -17    0    6 o  377.010   13.533  1786.61  127.408  1742.23  179.563  1831.60  180.807  370.489   19.477  380.011   19.114 -9.522064 27.28918 
1 1 1  -17    0    7 o  160.880   8.9417  325.125   35.781  302.254   49.595  349.954   51.674  154.569   12.969  166.465   12.523 -11.89664 18.02778 
1 1 1  -17    0    8 o  500.848   16.600  3165.11  207.613  3217.45  293.375  3112.60  293.845  502.399   23.384  493.954   23.822 8.445007 33.38142 
1 1 1  -17    0    9 o  161.490   10.214  328.244   40.977  353.629   57.465  301.985   58.447  167.095   13.898  154.057   15.399 13.03864 20.74298 
1 1 1  -17    0   10 o  215.661   10.021  583.069   53.968  600.270   75.950  565.526   76.700  217.958   14.029  211.421   14.617 6.536636 20.26012 
1 1 1  -17    0   11 o  405.086   13.369  2064.03  135.238  2047.71  190.795  2080.51  191.720  401.978   19.007  405.203   18.947 -3.225372 26.83771 
1 1 1  -17    0   12 o  391.499   13.878  1929.35  135.674  1900.87  191.596  1957.99  192.148  386.457   19.921  392.820   19.588 -6.362610 27.93827 
1 1 1  -17    0   13 o  373.074   19.791  1772.05  183.717  2011.94  256.114  1517.78  263.680  394.831   26.124  340.202   31.392 54.62872 40.83976 
1 1 1  -17    0   14 o  340.548   15.347  1463.17  130.510  1557.15  159.210  1270.66  227.866  350.105   18.274  311.756   29.626 38.34882 34.80814 
1 1 1  -17    0   15 o  297.477   10.624  1110.57   78.922  1128.77  111.839  1092.52  111.388  298.776   15.038  293.879   15.230 4.896881 21.40344 
1 1 1  -17    0   16 o  158.622   9.7495  316.718   38.431  339.931   54.364  293.528   54.336  163.785   13.409  151.916   14.499 11.86911 19.74936 
1 1 1  -17    0   17 o  148.377   10.035  277.442   36.965  244.193   51.930  311.595   52.631  138.269   15.296  156.719   13.583 -18.44916 20.45625 
1 1 1  -17    0   18 o  245.308   12.886  759.395   78.661  829.832  146.927  731.093   93.133  253.462   23.480  240.081   15.619 13.38046 28.20069 
1 1 1  -17    0   19 o  409.419   16.072  2119.44  164.317  2322.06  292.384  2025.91  198.656  422.461   27.872  398.939   19.941 23.52185 34.27052 
1 1 1  -17    0   20 o  358.724   14.915  1624.66  133.608  1845.00  241.319  1527.26  160.442  377.381   25.761  346.265   18.623 31.11600 31.78780 
1 1 1  -17    0   21 o  103.817   17.849  140.463   44.605   56.555   94.654  164.416   50.573   81.420   31.934  112.325   18.686 -30.90472 36.99933 
1 1 1  -17    0   22 o  526.903   19.264  3535.16  253.466  3985.30  450.313  3326.41  306.657  548.373   33.038  508.286   24.160 40.08759 40.92965 
1 1 1  -17    0   23 o   75.605   18.932   75.597   35.663 -95.9816  101.551   99.735   38.089   58.525   27.458   87.030   18.115 -28.50484 32.89544 
1 1 1  -17    0   24 o  214.180   13.890  581.576   73.890  505.851  149.719  605.959   84.957  193.406   32.127  218.191   15.697 -24.78506 35.75665 
1 1 1  -17    0   25 o  295.298   13.961  1102.12  102.949  1114.58  198.459  1097.54  120.418  290.740   27.668  293.543   16.494 -2.803375 32.21186 
1 1 1  -17    0   26 o  212.804   13.524  574.772   71.493  634.289  155.508  558.822   80.505  217.402   29.398  209.281   15.515 8.120926 33.24120 
1 1 1  -17    0   27 f  219.964   26.554  644.585  142.910   0.0000   0.0000  644.585  142.910  ?   ?   219.964   26.554 0.000000 26.55438 
1 1 1  -17    0   28 o  126.212   15.088  205.598   46.610  272.481  133.753  196.353   49.727  136.832   37.862  122.873   16.634 13.95852 41.35523 
1 1 1  -17    0   29 o  166.611   14.038  355.900   57.860  408.340  146.431  346.197   62.986  167.667   36.045  163.815   15.585 3.852173 39.27025 
1 1 1  -17    0   30 o  111.040   16.391  161.857   44.083  219.272  141.352  155.671   46.397  120.852   40.120  108.414   17.752 12.43755 43.87216 
1 1 1  -17    0   31 o  331.542   15.325  1416.25  126.876  1433.68  251.966  1410.33  146.852  316.135   32.373  328.529   17.968 -12.39410 37.02552 
1 1 1  -17    0   32 f  204.645   16.981  549.568   85.996  664.675  178.564  514.809   98.124  209.906   35.320  195.990   20.345 13.91624 40.76066 
1 1 1  -17    0   33 o  114.851   15.644  174.443   43.699  210.544  152.533  171.215   45.611  113.460   41.403  113.380   16.601 0.7962036E-01 44.60767 
1 1 1  -17    0   34 o   87.865   17.800  105.398   37.719  152.981  163.740  102.732   38.761  101.664   41.278   86.458   18.511 15.20591 45.23860 
1 1 1  -17    0   35 o  149.184   14.770  293.040   54.300  323.012  184.919  290.212   56.805  129.130   45.779  148.020   15.603 -18.89012 48.36538 
1 1 1  -17    0   36 f  180.220   29.306  491.701  127.359   0.0000   0.0000  491.701  127.359  ?   ?   180.220   29.306 0.000000 29.30625 
1 1 1  -17    0   37 o   86.800   31.812  117.062   90.187   0.0000   0.0000  117.062   90.187  ?   ?    86.800   31.812 0.000000 31.81197 
1 1 1  -17    0   38 o  221.321   29.946  776.137  161.254   0.0000   0.0000  776.137  161.254  ?   ?   221.321   29.946 0.000000 29.94578 
1 1 1  -17    1    1 o  622.727   19.941  4912.40  310.098  4895.15  437.982  4929.73  439.111  617.083   28.422  619.277   28.395 -2.193481 40.17587 
1 1 1  -17    1    2 o  250.931   10.982  789.641   68.818  785.410   96.429  794.032   98.242  249.237   15.571  250.565   15.782 -1.327606 22.17039 
1 1 1  -17    1    3 o   93.496   11.865  111.434   27.079  117.994   36.918  103.796   39.838   95.502   16.050   89.014   18.525 6.487839 24.51027 
1 1 1  -17    1    4 o  245.490   10.418  755.439   63.869  748.815   89.387  762.347   91.291  243.492   14.771  245.655   14.953 -2.163391 21.01801 
1 1 1  -17    1    5 o  185.221   9.4883  430.881   43.739  402.633   60.598  461.603   63.196  178.446   13.703  191.200   13.319 -12.75331 19.10971 
1 1 1  -17    1    6 o  209.053   9.4129  547.467   49.139  495.332   68.234  603.636   70.825  197.992   13.889  218.807   13.021 -20.81487 19.03780 
1 1 1  -17    1    7 o  164.222   8.9387  338.741   36.519  331.814   50.698  346.211   52.648  162.049   12.628  165.515   12.838 -3.465759 18.00812 
1 1 1  -17    1    8 o  309.540   11.758  1202.70   90.887  1222.13  127.970  1182.93  129.106  310.797   16.548  305.651   16.982 5.146057 23.71121 
1 1 1  -17    1    9 o  165.308   9.6151  343.588   39.520  356.068   55.086  330.353   56.730  167.779   13.256  161.407   14.220 6.372360 19.44026 
1 1 1  -17    1   10 o  135.730   10.273  232.305   34.562  252.805   48.194  210.597   49.593  141.085   13.858  128.288   15.815 12.79689 21.02799 
1 1 1  -17    1   11 o  332.049   12.159  1385.05  100.824  1437.05  142.380  1332.75  142.793  336.844   16.981  324.157   17.707 12.68750 24.53376 
1 1 1  -17    1   12 o  197.486   10.703  490.729   52.586  525.064   74.236  456.148   74.500  203.627   14.698  189.485   15.891 14.14182 21.64645 
1 1 1  -17    1   13 o  336.839   18.190  1440.83  152.436  1520.74  210.684  1353.04  220.827  343.686   24.713  322.848   27.658 20.83716 37.09033 
1 1 1  -17    1   14 o  150.806   14.621  289.237   54.368  322.251   68.834  234.485   88.646  158.625   17.678  132.529   27.678 26.09587 32.84220 
1 1 1  -17    1   15 o  367.061   12.763  1694.59  116.990  1708.06  165.531  1681.15  165.365  367.184   18.053  364.243   18.180 2.941010 25.62088 
1 1 1  -17    1   16 o  219.912   10.870  607.102   59.696  651.920   84.404  562.244   84.442  226.857   14.984  210.341   16.201 16.51561 22.06753 
1 1 1  -17    1   17 o  191.246   10.455  460.354   49.740  465.310   70.062  455.319   70.628  191.522   14.763  189.382   15.059 2.139313 21.08817 
1 1 1  -17    1   18 o  310.133   11.651  1208.68   90.229  1208.74  127.704  1208.61  127.501  308.687   16.628  308.679   16.602 0.8026123E-02 23.49701 
1 1 1  -17    1   19 o  295.424   13.503  1099.31   99.616  1228.38  182.971  1044.93  118.759  308.567   23.933  286.913   16.647 21.65454 29.15314 
1 1 1  -17    1   20 o  406.165   15.436  2084.01  156.567  2368.83  280.953  1955.72  188.560  427.521   26.446  392.201   19.253 35.32083 32.71178 
1 1 1  -17    1   21 o  222.527   20.332  636.112  111.735   0.0000   0.0000  636.112  111.735  ?   ?   222.527   20.332 0.000000 20.33195 
1 1 1  -17    1   22 o  415.633   31.825  2282.13  327.806  2282.13  327.806   0.0000   0.0000  415.633   31.825  ?   ?  0.000000 31.82505 
1 1 1  -17    1   23 o  239.027   13.583  722.765   80.743  781.957  158.849  702.144   93.759  244.396   26.450  234.970   16.076 9.425873 30.95197 
1 1 1  -17    1   24 o  307.522   15.740  1200.41  120.467  949.393  221.691  1305.59  143.503  265.298   34.264  319.940   18.035 -54.64194 38.72025 
1 1 1  -17    1   25 o  135.167   14.314  233.431   47.580  368.750  124.375  210.232   51.498  164.678   31.390  127.696   16.538 36.98271 35.48043 
1 1 1  -17    1   26 o  158.415   14.619  320.332   57.181  191.010  131.624  350.416   63.484  118.477   38.685  165.517   15.541 -47.03998 41.69044 
1 1 1  -17    1   27 o  117.498   16.639  179.131   47.457 -12.0832  127.578  209.839   51.126   77.624   34.112  127.385   16.457 -49.76144 37.87451 
1 1 1  -17    1   28 o  256.369   26.788  877.484  168.961   0.0000   0.0000  877.484  168.961  ?   ?   256.369   26.788 0.000000 26.78754 
1 1 1  -17    1   29 o  109.579   16.323  156.834   43.304  289.133  134.460  141.524   45.741  140.345   37.606  103.393   18.390 36.95252 41.86122 
1 1 1  -17    1   30 o  229.644   13.986  675.011   79.824  692.605  179.572  670.678   89.113  220.531   33.676  228.165   15.736 -7.634308 37.17088 
1 1 1  -17    1   31 o  222.208   13.706  633.475   75.681  752.738  182.007  608.543   83.216  229.016   32.759  216.989   15.458 12.02682 36.22280 
1 1 1  -17    1   32 o  144.998   14.700  273.295   52.490  299.946  156.859  269.935   55.701  135.511   42.005  143.669   15.786 -8.157516 44.87312 
1 1 1  -17    1   33 o   70.404   20.103   67.891   37.095   58.411  148.350   68.523   38.312   87.487   37.626   70.723   20.502 16.76407 42.84874 
1 1 1  -17    1   34 o  154.982   14.160  313.199   54.198  480.094  178.857  296.324   56.872  167.238   42.684  150.149   15.385 17.08897 45.37189 
1 1 1  -17    1   35 o   82.169   17.828   92.642   35.530   67.017  176.090   93.729   36.276   90.315   39.868   82.566   18.094 7.749931 43.78136 
1 1 1  -17    1   36 o   61.617   18.952   51.785   32.001 -116.2734  181.958   57.149   32.508   72.860   34.915   64.369   18.950 8.491112 39.72565 
1 1 1  -17    1   37 o   75.089   30.595   65.306   90.348   0.0000   0.0000   65.306   90.348  ?   ?    75.089   30.595 0.000000 30.59485 
1 1 1  -17    1   38 o  198.780   30.533  623.631  146.715   0.0000   0.0000  623.631  146.715  ?   ?   198.780   30.533 0.000000 30.53287 
1 1 1  -17    2    1 o  330.530   12.576  1372.29  103.804  1439.08  146.287  1304.55  147.320  337.116   17.437  320.650   18.477 16.46591 25.40528 
1 1 1  -17    2    2 o  336.882   12.397  1425.21  104.294  1486.10  147.158  1363.77  147.832  342.662   17.253  327.989   18.120 14.67252 25.01958 
1 1 1  -17    2    3 o  270.476   11.371  917.859   76.806  935.338  107.938  899.932  109.314  271.949   15.964  266.618   16.500 5.331055 22.95852 
1 1 1  -17    2    4 o  240.233   10.675  723.658   64.042  751.019   89.726  695.245   91.435  243.817   14.807  234.378   15.713 9.439163 21.59054 
1 1 1  -17    2    5 o  368.220   13.026  1703.71  119.779  1680.89  168.872  1726.82  169.919  364.082   18.637  369.541   18.413 -5.459351 26.19861 
1 1 1  -17    2    6 o  390.125   13.378  1913.23  130.331  1898.96  183.699  1927.69  184.939  387.345   18.992  390.268   18.976 -2.923126 26.84740 
1 1 1  -17    2    7 o  203.000   9.8931  516.465   50.151  495.901   69.714  538.521   72.200  198.030   14.191  206.423   14.091 -8.393494 19.99858 
1 1 1  -17    2    8 o  405.322   13.963  2066.86  141.331  1973.53  199.077  2161.71  200.676  393.912   20.307  413.051   19.455 -19.13953 28.12296 
1 1 1  -17    2    9 o  354.496   12.257  1578.45  108.504  1510.90  152.680  1647.38  154.228  345.262   17.769  361.141   17.102 -15.87881 24.66161 
1 1 1  -17    2   10 o  152.120   9.8922  291.289   37.374  293.403   51.944  289.021   53.814  152.092   13.828  150.831   14.465 1.261398 20.01095 
1 1 1  -17    2   11 o  338.251   12.214  1437.38  103.168  1428.01  145.437  1446.86  146.371  335.655   17.411  337.869   17.407 -2.214478 24.62036 
1 1 1  -17    2   12 o  229.564   10.851  661.271   62.207  695.529   87.393  626.084   88.568  234.443   15.006  222.160   16.073 12.28366 21.98947 
1 1 1  -17    2   13 o  289.424   16.176  1060.83  116.445  1013.29  158.227  1117.01  171.989  280.911   22.751  294.732   23.565 -13.82098 32.75574 
1 1 1  -17    2   14 o  269.723   16.009  921.672  107.343  942.773  145.763  896.668  158.669  271.185   21.706  263.534   24.387 7.651093 32.64781 
1 1 1  -17    2   15 o  160.608   10.085  324.795   40.242  320.919   56.487  328.789   57.343  158.954   14.387  160.900   14.425 -1.945831 20.37267 
1 1 1  -17    2   16 o  102.964   11.223  134.679   28.390  162.576   40.045  106.490   40.254  112.656   14.576   90.059   18.518 22.59702 23.56639 
1 1 1  -17    2   17 o  134.194   10.758  227.482   35.747  240.625   50.245  214.010   50.870  137.339   14.889  129.181   16.120 8.157791 21.94380 
1 1 1  -17    2   18 o  154.955   10.217  302.563   39.313  325.128   55.536  279.899   55.657  160.030   14.039  148.155   15.262 11.87509 20.73699 
1 1 1  -17    2   19 o  328.859   11.682  1359.13   95.934  1379.82  136.090  1338.69  135.256  330.291   16.500  324.861   16.730 5.429749 23.49727 
1 1 1  -17    2   20 o  301.403   13.137  1143.80   98.874  1356.26  182.985  1056.19  117.506  324.794   22.704  288.519   16.377 36.27496 27.99379 
1 1 1  -17    2   21 o  214.846   26.361  604.170  138.462  604.170  138.462   0.0000   0.0000  214.846   26.361  ?   ?  0.000000 26.36089 
1 1 1  -17    2   22 f  234.283   15.191  696.255   88.396  879.346  146.367  591.135  110.905  261.048   22.678  214.217   21.002 46.83089 30.90968 
1 1 1  -17    2   23 o  323.630   14.230  1321.83  115.001  1468.13  212.294  1261.07  136.814  336.281   25.469  314.793   17.473 21.48843 30.88676 
1 1 1  -17    2   24 o  347.115   15.058  1523.36  130.527  1675.89  240.806  1459.90  155.325  358.220   27.121  338.280   18.457 19.93930 32.80519 
1 1 1  -17    2   25 o  180.359   13.817  413.048   61.757  336.052  133.451  434.031   69.665  155.758   35.145  184.580   15.251 -28.82175 38.31142 
1 1 1  -17    2   26 o  204.504   13.509  530.479   68.601  486.713  146.042  542.869   77.707  189.219   32.052  206.471   15.178 -17.25186 35.46356 
1 1 1  -17    2   27 o  276.068   14.331  967.847   98.460  960.171  194.662  970.486  114.137  267.841   29.599  275.637   16.660 -7.795837 33.96544 
1 1 1  -17    2   28 o  590.870   44.302  5056.98  648.925   0.0000   0.0000  5056.98  648.925  ?   ?   590.870   44.302 0.000000 44.30220 
1 1 1  -17    2   29 o  127.528   26.887  223.357   82.928  214.890  142.417  227.700  102.004  122.297   40.255  126.843   32.159 -4.545410 51.52344 
1 1 1  -17    2   30 o  279.980   13.985  998.809   97.777  1175.87  205.630  947.081  111.146  293.711   28.390  271.117   16.495 22.59433 32.83413 
1 1 1  -17    2   31 o   54.345   18.447   36.114   29.873  198.411  136.177   27.909   30.619  115.765   39.385   50.723   18.544 65.04185 43.53192 
1 1 1  -17    2   32 o  113.890   15.836  170.407   43.820  109.382  145.094  176.532   45.966   96.947   39.033  115.769   16.356 -18.82170 42.32130 
1 1 1  -17    2   33 o  143.306   16.686  270.708   58.596  581.497  170.900  229.304   62.378  194.856   36.462  130.373   19.781 64.48346 41.48207 
1 1 1  -17    2   34 o  172.928   14.465  389.414   61.893  578.773  183.580  365.130   65.742  188.511   40.223  166.658   15.993 21.85303 43.28617 
1 1 1  -17    2   35 o   67.531   19.160   62.716   33.806 -205.1539  167.159   74.139   34.520   64.869   31.645   73.268   18.780 -8.399025 36.79812 
1 1 1  -17    2   36 o  125.688   15.660  209.975   48.084  326.689  191.961  202.161   49.668  129.150   46.551  122.839   16.618 6.310760 49.42836 
1 1 1  -17    2   37 o  117.596   15.832  185.313   45.311  288.726  204.581  179.978   46.465  118.544   46.803  115.493   16.587 3.050720 49.65509 
1 1 1  -17    2   38 o   78.810   31.831   80.907   96.817   0.0000   0.0000   80.907   96.817  ?   ?    78.810   31.831 0.000000 31.83063 
1 1 1  -17    2   39 o   96.860   34.495  164.530  105.103   0.0000   0.0000  164.530  105.103  ?   ?    96.860   34.495 0.000000 34.49463 
1 1 1  -17    3    1 o  355.054   13.124  1584.76  116.360  1696.34  164.047  1471.78  165.073  366.265   17.936  340.239   19.510 26.02560 26.50170 
1 1 1  -17    3    2 o  203.800   10.254  522.028   52.016  525.425   72.525  518.429   74.645  203.827   14.340  202.360   14.876 1.466599 20.66228 
1 1 1  -17    3    3 o  482.834   16.372  2941.14  197.404  3051.08  278.857  2830.70  279.486  489.405   22.817  470.397   23.871 19.00735 33.02196 
1 1 1  -17    3    4 o  370.104   13.321  1722.04  123.116  1717.95  173.397  1726.19  174.838  367.920   18.937  368.767   19.051 -0.8469238 26.86176 
1 1 1  -17    3    5 o  231.894   10.112  674.090   58.559  666.770   81.788  681.790   83.881  229.740   14.328  232.284   14.534 -2.543549 20.40874 
1 1 1  -17    3    6 o  138.517   10.592  242.002   36.362  222.796   49.971  263.615   53.009  132.095   15.440  143.920   14.969 -11.82455 21.50489 
1 1 1  -17    3    7 o  203.331   10.408  519.750   52.668  533.583   73.501  505.152   75.507  205.393   14.422  199.662   15.260 5.730957 20.99623 
1 1 1  -17    3    8 o  224.870   10.180  633.973   57.164  600.221   79.653  669.818   82.086  217.829   14.730  230.240   14.348 -12.41006 20.56314 
1 1 1  -17    3    9 o  328.253   12.236  1353.48  100.299  1329.98  140.981  1377.57  142.722  323.922   17.494  329.710   17.396 -5.787689 24.67086 
1 1 1  -17    3   10 o  202.832   10.134  515.841   51.330  506.095   71.695  526.091   73.521  199.966   14.455  203.883   14.536 -3.916428 20.49960 
1 1 1  -17    3   11 f  225.261   10.706  636.589   60.221  648.661   84.570  624.170   85.772  226.379   15.046  221.937   15.575 4.441833 21.65525 
1 1 1  -17    3   12 o  153.547   11.484  297.646   43.714  316.081   69.456  285.553   56.253  157.042   18.039  149.740   15.257 7.301926 23.62551 
1 1 1  -17    3   13 o  349.207   18.258  1548.47  158.663  1537.25  218.794  1560.92  230.425  345.194   25.563  347.320   26.774 -2.125488 37.01801 
1 1 1  -17    3   14 o  258.766   16.021  848.578  103.015  900.432  139.120  785.635  153.276  265.152   21.188  246.233   25.286 18.91887 32.98980 
1 1 1  -17    3   15 o  223.506   10.751  626.944   60.005  616.428   84.213  637.790   85.521  220.512   15.390  224.325   15.359 -3.812714 21.74273 
1 1 1  -17    3   16 o  193.671   10.163  471.798   48.981  489.096   68.877  454.100   69.668  196.538   14.128  189.195   14.866 7.343002 20.50829 
1 1 1  -17    3   17 o  158.900   10.374  318.153   40.939  309.394   57.527  327.141   58.272  155.919   14.958  160.415   14.711 -4.496017 20.97989 
1 1 1  -17    3   18 o  106.226   11.275  143.294   29.452  133.976   41.124  153.106   42.200  101.629   16.790  108.974   15.983 -7.344337 23.18104 
1 1 1  -17    3   19 o  169.970   10.547  363.990   44.547  417.680   63.032  310.410   62.967  181.531   14.013  155.850   16.427 25.68057 21.59160 
1 1 1  -17    3   20 o  268.101   13.218  905.031   88.492  1063.30  148.080  817.112  110.367  288.154   20.717  253.361   17.552 34.79292 27.15290 
1 1 1  -17    3   21 o  159.118   12.159  320.249   47.949  316.280   61.681  326.312   76.227  157.404   15.911  159.029   19.610 -1.624374 25.25276 
1 1 1  -17    3   22 o  284.041   17.037  1025.69  120.289  1027.82  184.262  1024.10  158.794  280.797   26.595  281.869   22.754 -1.072052 35.00044 
1 1 1  -17    3   23 o  190.666   13.240  460.221   62.649  667.990  131.304  398.979   71.287  226.925   23.512  176.804   16.331 50.12047 28.62713 
1 1 1  -17    3   24 o  524.524   19.522  3506.62  255.709  3819.76  453.218  3360.39  309.713  535.530   34.067  510.629   24.289 24.90094 41.83906 
1 1 1  -17    3   25 f  247.754   13.838  777.199   85.271  884.987  169.554  740.708   98.655  259.843   26.501  241.148   16.481 18.69556 31.20829 
1 1 1  -17    3   26 o  251.271   12.849  798.410   80.356  908.608  163.989  763.590   92.181  263.548   25.226  245.115   15.134 18.43326 29.41710 
1 1 1  -17    3   27 o  205.433   14.709  537.318   74.959  366.126  154.595  589.937   85.708  160.240   39.002  214.908   16.087 -54.66760 42.18971 
1 1 1  -17    3   28 o  360.522   15.243  1651.81  137.236  1856.33  262.337  1574.76  161.026  373.361   28.349  350.127   18.483 23.23395 33.84176 
1 1 1  -17    3   29 o  114.375   32.840  183.987   98.729   0.0000   0.0000  183.987   98.729  ?   ?   114.375   32.840 0.000000 32.84039 
1 1 1  -17    3   30 o  191.502   13.756  468.817   65.344  588.146  162.781  445.895   71.344  204.413   33.014  186.158   15.488 18.25529 36.46671 
1 1 1  -17    3   31 o  191.169   13.286  467.650   63.032  676.656  168.007  433.411   67.999  219.085   31.624  183.400   14.978 35.68555 34.99220 
1 1 1  -17    3   32 o  200.251   13.686  515.266   68.029  693.707  176.037  483.938   73.760  218.873   33.254  193.311   15.408 25.56197 36.65009 
1 1 1  -17    3   33 o   62.542   19.278   51.946   33.092 -80.7781  147.446   58.986   33.959   71.473   33.389   66.130   19.340 5.342560 38.58530 
1 1 1  -17    3   34 o  127.528   17.687  217.033   54.809  323.611  168.140  204.362   57.976  136.937   43.636  122.835   19.556 14.10136 47.81783 
1 1 1  -17    3   35 o   72.563   19.188   72.664   35.301  153.488  164.249   68.750   36.146  102.618   41.455   70.595   19.736 32.02372 45.91296 
1 1 1  -17    3   36 o   76.267   19.143   80.774   36.403 -155.9133  175.696   91.390   37.210   69.702   33.633   81.301   18.716 -11.59905 38.48958 
1 1 1  -17    3   37 o   47.290   17.790   23.825   28.543  177.731  191.155   20.315   28.867  103.953   43.619   45.897   17.736 58.05648 47.08750 
1 1 1  -17    3   38 o   66.273   19.657   61.504   34.870   0.0000   0.0000   61.504   34.870  ?   ?    66.273   19.657 0.000000 19.65713 
1 1 1  -17    3   39 o  124.872   35.902  275.977  117.924   0.0000   0.0000  275.977  117.924  ?   ?   124.872   35.902 0.000000 35.90195 
1 1 1  -17    4    1 o  188.080   10.037  444.767   46.970  439.560   64.543  450.629   68.483  186.366   13.970  188.585   14.657 -2.219543 20.24836 
1 1 1  -17    4    2 o  304.594   11.672  1164.86   88.782  1175.66  124.642  1153.74  126.493  304.746   16.439  301.778   16.853 2.967773 23.54279 
1 1 1  -17    4    3 o  338.742   12.710  1442.07  107.516  1547.65  151.596  1335.22  152.509  349.943   17.348  324.145   18.923 25.79840 25.67157 
1 1 1  -17    4    4 o  261.828   11.343  860.385   74.163  1001.89  104.558  717.115  105.209  281.627   14.921  237.487   17.871 44.13985 23.28109 
1 1 1  -17    4    5 o  149.122   9.8876  279.954   36.611  280.370   50.543  279.495   53.103  148.663   13.771  148.297   14.526 0.3662109 20.01632 
1 1 1  -17    4    6 o  209.367   10.308  549.655   53.896  588.945   75.281  508.343   77.194  215.884   14.041  200.216   15.562 15.66753 20.95966 
1 1 1  -17    4    7 o  518.813   17.249  3401.20  223.469  3455.88  315.558  3346.20  316.510  519.933   24.304  511.378   24.785 8.555725 34.71319 
1 1 1  -17    4    8 o  122.052   10.795  188.322   32.562  186.002   44.819  190.915   47.387  120.557   15.227  122.026   15.931 -1.468491 22.03766 
1 1 1  -17    4    9 o  309.795   12.279  1205.74   94.990  1215.32  133.556  1195.94  135.131  309.607   17.344  307.025   17.700 2.582031 24.78125 
1 1 1  -17    4   10 f  255.898   11.206  821.896   71.608  831.982  100.578  811.529  101.974  256.338   15.789  253.057   16.222 3.280029 22.63756 
1 1 1  -17    4   11 o  213.094   10.589  569.651   56.346  599.993   79.019  538.264   80.370  217.756   14.616  205.973   15.745 11.78307 21.48329 
1 1 1  -17    4   12 o  185.617   15.038  437.100   69.104  501.607   90.170  345.293  107.572  198.184   18.431  161.628   27.646 36.55605 33.22618 
1 1 1  -17    4   13 o  247.795   15.105  777.032   93.025  719.021  123.590  852.856  141.296  236.809   21.121  257.731   22.170 -20.92282 30.62013 
1 1 1  -17    4   14 o  207.175   11.846  540.952   61.033  511.663   72.369  613.095  113.578  200.995   14.516  218.514   21.076 -17.51950 25.59113 
1 1 1  -17    4   15 o  133.033   10.436  223.392   34.392  213.775   47.364  234.118   50.019  129.372   14.935  135.442   15.043 -6.069916 21.19773 
1 1 1  -17    4   16 o  135.212   10.578  230.811   35.432  233.513   49.290  227.922   50.970  135.297   14.832  133.500   15.582 1.796844 21.51266 
1 1 1  -17    4   17 o  120.408   10.725  183.397   31.909  177.825   44.061  189.542   46.272  117.744   15.351  121.569   15.602 -3.825127 21.88761 
1 1 1  -17    4   18 o  147.712   10.235  275.051   37.521  286.466   52.480  263.114   53.666  150.121   14.167  143.618   15.194 6.502823 20.77416 
1 1 1  -17    4   19 o   70.097   18.643   64.544   33.200   90.556   83.900   59.714   36.151   87.749   30.865   67.928   19.980 19.82150 36.76747 
1 1 1  -17    4   20 o  365.388   20.986  1707.42  190.678  1707.42  190.678   0.0000   0.0000  365.388   20.986  ?   ?  0.000000 20.98561 
1 1 1  -17    4   21 o  182.903   10.902  421.595   49.569  457.454   70.106  385.747   70.096  189.812   14.910  173.899   16.333 15.91228 22.11520 
1 1 1  -17    4   22 o  377.072   19.990  1815.72  187.555  1744.94  275.007  1877.27  256.448  364.306   30.510  379.873   27.214 -15.56769 40.88390 
1 1 1  -17    4   23 o  228.326   15.586  662.076   88.339  771.214  146.915  600.272  110.557  243.660   24.476  215.932   20.759 27.72807 32.09389 
1 1 1  -17    4   24 f  255.735   13.905  827.448   88.466  908.478  170.185  797.445  103.558  263.764   26.184  250.326   16.661 13.43755 31.03540 
1 1 1  -17    4   25 o  296.853   14.347  1113.12  106.357  1132.51  199.933  1105.47  125.604  293.779   27.576  294.632   17.146 -0.8536072 32.47134 
1 1 1  -17    4   26 o  145.083   14.450  268.680   51.655  336.406  125.749  254.931   56.656  156.411   33.221  140.835   16.418 15.57570 37.05600 
1 1 1  -17    4   27 o  208.717   14.161  553.604   73.369  561.205  154.526  551.392   83.365  203.532   31.414  207.743   16.198 -4.211151 35.34431 
1 1 1  -17    4   28 o  192.005   14.140  469.559   67.321  571.788  155.747  446.070   74.656  204.747   31.469  186.543   16.187 18.20416 35.38767 
1 1 1  -17    4   29 o  241.762   16.212  749.110   97.311   0.0000   0.0000  749.110   97.311  ?   ?   241.762   16.212 0.000000 16.21241 
1 1 1  -17    4   30 o  206.171   21.829  560.349  110.678  616.496  184.136  528.590  138.486  206.956   36.987  196.281   29.138 10.67455 47.08572 
1 1 1  -17    4   31 o   77.891   19.361   81.863   37.496   95.772  142.980   80.836   38.856   96.304   38.757   77.341   19.978 18.96366 43.60300 
1 1 1  -17    4   32 o   86.760   18.545  101.450   38.961  118.564  148.930  100.193   40.367   99.970   39.786   86.016   19.271 13.95390 44.20701 
1 1 1  -17    4   33 o  125.254   16.177  206.202   49.416  102.142  156.473  217.730   52.081   96.832   39.950  128.589   16.607 -31.75719 43.26474 
1 1 1  -17    4   34 o   91.082   17.808  112.111   39.052  153.360  162.902  109.596   40.225  104.468   41.599   89.774   18.556 14.69450 45.55047 
1 1 1  -17    4   35 o   59.851   19.734   46.669   34.219  117.009  169.159   43.668   34.942   97.937   41.061   58.601   19.950 39.33608 45.65081 
1 1 1  -17    4   36 o  104.396   17.267  146.967   43.441  216.928  178.104  142.542   44.793  112.690   43.913  102.384   18.186 10.30524 47.53014 
1 1 1  -17    4   37 o   38.449   16.379   2.5548   27.631  -9.1489  192.937   2.7999   27.919   83.937   38.863   38.711   16.476 45.22638 42.21111 
1 1 1  -17    4   38 o   60.650   19.429   49.926   33.299  137.089  204.951   47.563   33.748   98.107   43.172   59.568   19.595 38.53924 47.41119 
1 1 1  -17    4   39 o   93.432   34.826  144.262  108.896   0.0000   0.0000  144.262  108.896  ?   ?    93.432   34.826 0.000000 34.82566 
1 1 1  -17    5    1 o  222.456   10.491  620.827   58.280  657.892   81.288  581.623   83.602  228.094   14.344  214.125   15.745 13.96854 21.29968 
1 1 1  -17    5    2 o  285.330   11.623  1022.38   82.814  1074.37  115.983  968.303  118.285  291.324   16.004  276.220   17.234 15.10413 23.51936 
1 1 1  -17    5    3 o  161.641   9.8463  328.764   39.555  340.609   54.700  315.783   57.266  163.997   13.476  157.646   14.717 6.351440 19.95457 
1 1 1  -17    5    4 o  136.883   10.152  236.231   34.453  253.171   47.302  217.088   50.284  141.215   13.581  130.260   15.781 10.95529 20.82001 
1 1 1  -17    5    5 o  238.229   10.330  711.761   61.453  698.216   85.534  726.213   88.350  234.983   14.649  239.626   14.838 -4.642838 20.85092 
1 1 1  -17    5    6 o  156.586   10.334  308.827   40.182  350.159   55.889  264.602   57.812  166.287   13.578  143.876   16.383 22.41101 21.27804 
1 1 1  -17    5    7 o  515.615   17.274  3360.74  222.422  3512.48  314.323  3208.56  314.781  524.134   24.015  499.714   25.308 24.41974 34.88848 
1 1 1  -17    5    8 f  326.437   12.562  1339.29  102.403  1367.73  144.115  1310.29  145.536  328.386   17.639  321.230   18.218 7.155823 25.35769 
1 1 1  -17    5    9 o  128.587   10.738  208.876   34.166  210.443   47.110  207.137   49.623  128.375   14.977  127.153   15.981 1.221397 21.90226 
1 1 1  -17    5   10 o  142.193   10.141  254.823   35.773  257.586   48.982  251.665   52.371  142.380   13.956  140.495   15.168 1.884598 20.61132 
1 1 1  -17    5   11 o  178.810   14.795  405.625   65.469  435.395   84.628  361.255  103.318  184.477   18.626  165.970   25.764 18.50670 31.79136 
1 1 1  -17    5   12 o  155.364   15.152  307.176   58.038  372.484   74.110  203.603   93.329  170.702   17.640  122.896   30.544 47.80595 35.27186 
1 1 1  -17    5   13 o  442.555   21.738  2496.05  240.231  2562.42  334.926  2425.72  344.763  443.187   30.448  429.975   32.346 13.21283 44.42208 
1 1 1  -17    5   14 o  153.189   10.507  295.803   39.952  301.166   55.169  289.890   57.933  153.924   14.525  150.779   15.613 3.145737 21.32413 
1 1 1  -17    5   15 o  195.280   10.293  479.720   50.015  467.752   69.634  492.473   71.883  192.090   14.627  197.113   14.710 -5.022675 20.74384 
1 1 1  -17    5   16 o  125.176   11.095  198.257   34.322  225.352   47.589  168.883   49.549  132.931   14.575  114.142   17.978 18.78902 23.14410 
1 1 1  -17    5   17 o  282.174   11.700  1000.42   82.445  1051.16  116.357  949.260  116.834  287.965   16.247  273.354   17.203 14.61078 23.66286 
1 1 1  -17    5   18 o  359.813   13.558  1630.34  121.817  1662.72  172.032  1597.78  172.520  361.372   19.132  354.060   19.589 7.312134 27.38124 
1 1 1  -17    5   19 o  110.935   11.630  156.299   31.739  188.314   44.406  122.863   45.382  121.280   14.981   96.678   19.471 24.60227 24.56696 
1 1 1  -17    5   20 o  172.028   11.442  373.429   48.874  467.835   69.003  278.391   69.233  192.076   14.493  146.812   19.356 45.26427 24.18084 
1 1 1  -17    5   21 o  335.062   13.132  1413.56  109.880  1434.58  155.122  1392.39  155.667  335.658   18.579  330.545   18.938 5.112183 26.52940 
1 1 1  -17    5   22 o  307.013   16.718  1196.73  127.687  1427.09  195.982  1026.83  168.313  332.638   23.750  281.743   24.157 50.89478 33.87601 
1 1 1  -17    5   23 o  197.131   16.541  495.364   80.672  351.790  133.334  578.272  101.322  160.352   34.333  212.346   19.319 -51.99435 39.39557 
1 1 1  -17    5   24 o  176.275   14.420  394.808   62.918  275.560  128.077  432.740   72.235  141.084   36.180  184.281   15.851 -43.19696 39.50016 
1 1 1  -17    5   25 o  140.712   14.585  252.748   50.506  144.263  117.114  277.533   55.979  106.532   36.523  147.333   15.445 -40.80118 39.65405 
1 1 1  -17    5   26 o  232.092   12.900  681.322   74.469  880.077  156.512  623.159   84.666  259.869   24.404  221.317   15.416 38.55209 28.86519 
1 1 1  -17    5   27 o  223.606   14.090  634.791   78.275  676.392  164.839  622.679   88.942  224.533   30.161  220.855   16.241 3.678772 34.25599 
1 1 1  -17    5   28 o  264.116   14.808  887.522   97.274  897.442  196.224  884.290  112.005  257.706   31.122  262.799   17.161 -5.092743 35.53967 
1 1 1  -17    5   29 o  254.918   13.493  825.749   85.589  1045.23  190.574  770.293   95.794  279.540   27.663  245.423   15.713 34.11792 31.81448 
1 1 1  -17    5   30 o  463.673   36.448  3029.93  418.624   0.0000   0.0000  3029.93  418.624  ?   ?   463.673   36.448 0.000000 36.44818 
1 1 1  -17    5   31 o   62.336   19.965   49.893   35.163   13.926  136.872   52.434   36.384   82.155   35.734   63.742   20.297 18.41245 41.09621 
1 1 1  -17    5   32 o  110.313   16.658  160.213   44.458  470.670  157.647  133.389   46.339  177.881   36.708   99.598   19.328 78.28241 41.48535 
1 1 1  -17    5   33 o  103.218   17.087  141.618   42.503  256.093  158.289  132.723   44.123  126.437   42.465   99.376   18.460 27.06039 46.30338 
1 1 1  -17    5   34 o  142.356   15.014  264.484   52.568  419.469  173.935  248.904   55.147  158.706   42.875  137.495   16.384 21.21086 45.89863 
1 1 1  -17    5   35 o  104.180   20.302  149.120   50.919 -61.0718  174.805  168.608   53.227   78.475   36.557  111.117   19.914 -32.64229 41.62917 
1 1 1  -17    5   36 o  155.558   15.665  318.621   60.026  406.125  196.002  309.565   63.055  147.124   47.137  152.723   16.812 -5.598587 50.04553 
1 1 1  -17    5   37 o   70.728   19.989   69.594   36.869  280.728  196.015   61.850   37.539  121.460   46.400   67.039   20.511 54.42159 50.73118 
1 1 1  -17    5   38 o  101.006   18.086  139.985   43.944  171.364  209.281  138.538   44.946  103.219   44.540  100.199   18.649 3.020088 48.28693 
1 1 1  -17    5   39 o   92.005   18.808  118.376   41.753  195.674  229.945  115.741   42.459  103.557   45.643   90.693   19.338 12.86333 49.57062 
1 1 1  -17    6    1 o  446.703   15.064  2516.95  168.043  2462.10  236.602  2572.79  238.709  439.484   21.559  449.376   21.272 -9.892456 30.28665 
1 1 1  -17    6    2 o  341.111   12.356  1462.67  105.246  1391.64  147.500  1536.35  150.219  331.037   17.910  348.481   17.262 -17.44403 24.87438 
1 1 1  -17    6    3 o  201.167   9.8879  507.454   49.672  475.468   68.503  542.919   72.131  193.768   14.257  207.169   14.025 -13.40038 19.99950 
1 1 1  -17    6    4 o  132.043   10.384  220.052   33.965  217.416   46.217  223.148   50.083  130.597   14.412  132.127   15.472 -1.529312 21.14433 
1 1 1  -17    6    5 o  305.675   11.753  1173.62   89.716  1304.69  126.317  1040.18  127.447  321.539   15.732  286.113   17.928 35.42557 23.85192 
1 1 1  -17    6    6 o   87.360   12.669   97.903   26.831   85.159   36.078  113.675   40.135   80.438   18.365   93.268   17.883 -12.82969 25.63313 
1 1 1  -17    6    7 o  117.964   10.904  176.101   31.757  173.059   43.346  179.627   46.659  116.173   15.315  118.210   16.235 -2.036751 22.31861 
1 1 1  -17    6    8 o  440.675   15.482  2449.68  170.369  2607.92  240.915  2291.39  240.960  452.622   21.315  423.072   22.893 29.55020 31.27936 
1 1 1  -17    6    9 o  269.913   16.413  923.474  110.102  985.161  149.387  850.117  162.907  277.280   21.749  256.090   25.827 21.18927 33.76438 
1 1 1  -17    6   10 o  234.296   15.540  695.522   90.403  724.589  120.184  657.645  137.195  237.929   20.426  225.269   24.799 12.65973 32.12825 
1 1 1  -17    6   11 o  211.261   15.161  565.655   79.449  595.532  104.585  524.887  122.169  215.743   19.627  200.934   24.880 14.80910 31.68937 
1 1 1  -17    6   12 o  203.620   16.032  526.661   80.861  691.026  107.275  310.395  123.051  232.776   18.610  151.279   33.460 81.49644 38.28761 
1 1 1  -17    6   13 o  296.278   14.504  1106.27  107.306  1208.54  129.895  886.489  190.419  308.712   16.914  259.848   29.890 48.86417 34.34373 
1 1 1  -17    6   14 o   89.928   12.363  103.532   27.029   88.736   36.205  122.161   40.625   82.134   18.137   96.831   17.442 -14.69699 25.16285 
1 1 1  -17    6   15 o  252.743   11.256  802.168   71.041  850.219   99.963  753.135  100.979  259.088   15.522  243.511   16.707 15.57686 22.80459 
1 1 1  -17    6   16 o  119.926   11.058  182.090   32.743  209.763   45.159  151.415   47.545  128.234   14.348  107.869   18.305 20.36501 23.25809 
1 1 1  -17    6   17 o  175.086   10.560  386.111   45.955  317.915   63.347  461.873   66.769  157.788   16.312  190.948   14.102 -33.15935 21.56325 
1 1 1  -17    6   18 o  225.304   16.407  645.039   91.675   0.0000   0.0000  645.039   91.675  ?   ?   225.304   16.407 0.000000 16.40680 
1 1 1  -17    6   19 o  331.903   18.443  1401.64  152.260  1401.64  152.260   0.0000   0.0000  331.903   18.443  ?   ?  0.000000 18.44330 
1 1 1  -17    6   20 o  187.782   9.8331  443.514   45.950  398.867   63.923  491.247   66.096  177.253   14.571  197.041   13.515 -19.78831 19.87329 
1 1 1  -17    6   21 o  361.359   14.097  1646.25  127.213  1632.92  179.314  1659.76  180.503  357.566   20.164  360.516   20.130 -2.949249 28.49255 
1 1 1  -17    6   22 o  121.810   15.638  190.480   46.470  253.143  100.379  173.386   52.427  136.844   30.185  115.406   18.842 21.43819 35.58279 
1 1 1  -17    6   23 o  159.062   16.425  323.543   64.302  259.323  114.380  353.220   77.752  137.582   33.585  165.597   19.156 -28.01555 38.66413 
1 1 1  -17    6   24 o  237.299   11.289  707.864   66.899  651.575   93.613  766.616   95.639  226.179   16.692  245.706   15.669 -19.52733 22.89414 
1 1 1  -17    6   25 o  458.300   17.812  2669.01  203.849  2925.87  364.967  2552.54  245.756  470.557   31.237  446.120   22.060 24.43716 38.24094 
1 1 1  -17    6   26 o  154.330   14.514  303.670   55.279  346.365  134.518  294.995   60.635  158.183   34.983  151.691   16.261 6.491440 38.57708 
1 1 1  -17    6   27 o  309.172   14.804  1210.43  114.293  1328.72  220.654  1167.06  133.614  317.122   28.156  302.157   17.786 14.96478 33.30367 
1 1 1  -17    6   28 o  207.840   14.752  550.405   76.067  458.348  161.593  576.610   86.217  180.269   37.132  212.262   16.393 -31.99286 40.58979 
1 1 1  -17    6   29 o  213.430   14.252  580.571   75.525  764.207  171.192  536.191   84.158  237.750   29.466  204.316   16.639 33.43463 33.83928 
1 1 1  -17    6   30 o  321.865   18.155  1336.50  145.325   0.0000   0.0000  1336.50  145.325  ?   ?   321.865   18.155 0.000000 18.15487 
1 1 1  -17    6   31 o  242.493   21.311  774.064  127.741  696.514  196.434  830.890  168.151  219.012   37.251  247.048   27.736 -28.03571 46.44223 
1 1 1  -17    6   32 o  197.933   13.193  501.389   64.838  915.360  178.510  438.475   69.591  257.717   28.198  184.275   15.260 73.44194 32.06224 
1 1 1  -17    6   33 o  135.292   15.264  238.431   50.666  351.745  162.238  226.185   53.334  147.987   41.968  131.222   16.651 16.76479 45.15029 
1 1 1  -17    6   34 o  163.764   14.658  348.245   59.310  547.847  181.157  324.281   62.770  185.840   40.204  157.316   16.210 28.52357 43.34948 
1 1 1  -17    6   35 o  194.145   15.154  491.278   72.886  488.068  202.856  491.754   78.102  165.458   46.930  193.604   16.306 -28.14528 49.68256 
1 1 1  -17    6   36 o  196.500   18.556  515.753   89.974  472.303  212.189  525.278   99.348  157.809   48.844  196.936   20.502 -39.12677 52.97276 
1 1 1  -17    6   37 o  190.376   15.677  477.149   73.867  295.336  215.663  501.313   78.623  123.501   48.268  194.751   16.317 -71.25031 50.95131 
1 1 1  -17    6   38 f   60.053   19.955   47.823   34.965 -40.2414  205.644   50.445   35.482   82.712   38.892   61.346   20.088 21.36657 43.77320 
1 1 1  -17    6   39 o  284.488   16.442  1079.66  116.309  897.139  295.696  1113.07  126.506  193.225   57.226  287.405   17.713 -94.18057 59.90437 
1 1 1  -17    6   40 o   81.614   20.801   96.235   42.519   0.0000   0.0000   96.235   42.519  ?   ?    81.614   20.801 0.000000 20.80123 
1 1 1  -17    7    1 o  384.004   19.881  1880.08  189.995  1973.31  264.252  1780.31  273.369  389.913   27.312  368.855   29.937 21.05832 40.52344 
1 1 1  -17    7    2 o  626.466   29.090  5092.23  455.077  5167.84  640.417  5015.10  646.782  617.812   41.755  607.249   42.929 10.56305 59.88647 
1 1 1  -17    7    3 o  173.474   15.117  382.450   64.831  425.304   84.193  320.029  101.612  182.181   18.776  155.452   27.164 26.72833 33.02163 
1 1 1  -17    7    4 o  129.558   15.361  214.681   48.729  212.090   60.192  219.609   83.008  127.862   19.466  128.333   26.768 -0.4712067 33.09781 
1 1 1  -17    7    5 o  202.800   14.400  520.827   72.451  450.913   93.724  624.644  114.210  187.259   20.371  220.563   20.989 -33.30350 29.24929 
1 1 1  -17    7    6 o  494.860   23.587  3133.49  291.483  3143.79  407.950  3122.74  416.624  488.624   33.638  486.309   34.531 2.314789 48.20751 
1 1 1  -17    7    7 o  157.638   15.070  316.169   58.599  345.062   74.201  268.286   95.523  164.023   18.435  141.879   27.956 22.14391 33.48677 
1 1 1  -17    7    8 o  135.760   16.095  235.905   53.501  321.945   67.206   87.031   88.403  158.637   17.243   87.799   31.597 70.83789 35.99516 
1 1 1  -17    7    9 o  301.845   18.210  1158.33  136.618  1502.35  188.800  780.202  197.937  342.483   22.195  242.009   33.664 100.4736 40.32249 
1 1 1  -17    7   10 o  242.796   15.758  747.193   95.026  778.850  126.723  706.523  143.635  246.576   20.774  233.423   25.032 13.15289 32.52954 
1 1 1  -17    7   11 o  225.786   16.209  647.182   90.783  797.630  121.420  456.463  136.708  249.881   19.616  185.215   30.628 64.66562 36.37122 
1 1 1  -17    7   12 o   86.810   13.033   96.869   27.381   93.225   36.151  101.772   41.934   84.276   17.739   87.848   19.612 -3.571701 26.44401 
1 1 1  -17    7   13 o  139.515   10.646  245.678   36.809  272.179   50.681  216.095   53.547  146.339   14.041  129.662   16.943 16.67668 22.00473 
1 1 1  -17    7   14 o  414.291   14.573  2163.77  150.764  2178.01  212.333  2149.28  214.102  413.697   20.553  410.303   20.966 3.394287 29.36022 
1 1 1  -17    7   15 o  259.664   11.403  846.900   73.942  839.637  103.349  854.517  105.835  257.289   16.168  259.505   16.416 -2.216217 23.04099 
1 1 1  -17    7   16 o  211.076   10.946  560.848   57.497  558.700   80.129  563.127   82.552  209.839   15.399  210.581   15.814 -0.7418365 22.07289 
1 1 1  -17    7   17 o  161.828   10.357  329.944   41.636  315.923   57.561  345.330   60.298  157.590   14.800  164.820   14.808 -7.229584 20.93624 
1 1 1  -17    7   18 o  214.973   13.066  583.735   69.809  590.568   82.294  566.202  131.826  215.759   15.374  208.243   25.910 7.515671 30.12841 
1 1 1  -17    7   19 o  223.781   11.992  631.312   66.770  651.121   93.552  610.744   95.328  226.280   16.674  218.888   17.589 7.391800 24.23557 
1 1 1  -17    7   20 o  154.471   10.749  301.014   41.204  299.543   56.900  302.635   59.748  153.341   15.054  153.992   15.759 -0.6514587 21.79366 
1 1 1  -17    7   21 o  143.961   10.826  261.703   38.634  249.498   53.205  275.315   56.191  139.708   15.512  146.829   15.562 -7.120789 21.97309 
1 1 1  -17    7   22 o  126.089   15.236  203.627   46.999  214.211  100.135  200.637   53.226  125.459   31.893  124.630   17.591 0.8287048 36.42252 
1 1 1  -17    7   23 o   98.487   18.820  127.244   44.597  294.132   98.859   84.602   49.971  148.428   27.690   80.352   23.449 68.07566 36.28508 
1 1 1  -17    7   24 o  222.796   11.359  625.630   62.987  617.583   88.437  633.916   89.732  220.296   16.189  223.199   16.210 -2.903305 22.90970 
1 1 1  -17    7   25 o  178.969   11.134  404.216   49.513  400.495   69.891  407.964   70.153  177.149   15.971  178.829   15.874 -1.679825 22.51798 
1 1 1  -17    7   26 o  281.866   14.838  1007.66  104.074  1006.88  198.813  1007.96  122.147  275.685   29.329  281.063   17.490 -5.377380 34.14826 
1 1 1  -17    7   27 o  109.887   17.192  157.100   45.631  220.364  127.930  147.878   48.843  125.791   37.729  106.058   19.147 19.73301 42.30906 
1 1 1  -17    7   28 o   79.065   20.039   83.331   39.617   45.877  127.888   87.307   41.666   86.979   36.020   80.875   20.580 6.103378 41.48501 
1 1 1  -17    7   29 o  181.409   14.934  420.940   67.053  347.622  154.071  438.071   74.476  154.500   39.715  184.668   16.318 -30.16805 42.93690 
1 1 1  -17    7   30 o  104.101   18.385  143.206   46.046   3.4531  142.623  159.468   48.652   82.996   36.280  109.996   18.359 -26.99962 40.66083 
1 1 1  -17    7   31 o  170.579   31.552  409.571  129.451   0.0000   0.0000  409.571  129.451  ?   ?   170.579   31.552 0.000000 31.55212 
1 1 1  -17    7   32 f  120.356   17.143  190.406   50.068  200.720  153.484  189.177   52.966  117.004   41.683  119.547   18.327 -2.543335 45.53379 
1 1 1  -17    7   33 o  187.587   14.944  455.006   69.424  440.226  174.856  457.772   75.642  166.299   42.073  187.550   16.313 -21.25072 45.12533 
1 1 1  -17    7   34 o   70.469   20.069   67.570   37.018   72.636  162.264   67.292   38.021   92.905   39.636   70.362   20.431 22.54292 44.59194 
1 1 1  -17    7   35 o   74.170   20.122   75.721   38.216 -43.7510  171.123   81.993   39.206   79.808   36.827   77.100   20.142 2.708321 41.97549 
1 1 1  -17    7   36 o  254.734   14.956  844.827   94.724  1113.56  230.620  790.290  103.891  269.908   35.043  244.817   17.101 25.09079 38.99304 
1 1 1  -17    7   37 o  237.268   22.266  774.602  130.381   0.0000   0.0000  774.602  130.381  ?   ?   237.268   22.266 0.000000 22.26558 
1 1 1  -17    7   38 o  125.217   16.872  210.530   51.414  219.294  220.927  210.029   52.865  110.910   46.734  124.774   17.443 -13.86383 49.88355 
1 1 1  -17    7   39 f  329.996   16.999  1455.13  139.608  1737.55  332.346  1394.62  153.839  309.067   44.331  319.984   19.344 -10.91681 48.36717 
1 1 1  -17    7   40 o   95.053   43.907  111.536  244.186  111.536  244.186   0.0000   0.0000   95.053   43.907  ?   ?  0.000000 43.90745 
1 1 1  -17    8    1 o  354.232   12.704  1579.14  112.375  1476.21  157.240  1686.58  160.659  340.499   18.563  364.758   17.638 -24.25851 25.60603 
1 1 1  -17    8    2 o  309.115   11.935  1201.27   92.131  1205.99  128.816  1196.32  131.821  308.253   16.798  306.868   17.272 1.384644 24.09360 
1 1 1  -17    8    3 o  217.465   10.481  593.562   56.916  574.398   78.633  614.652   82.490  212.859   14.887  220.180   15.094 -7.320663 21.20011 
1 1 1  -17    8    4 o  268.494   11.392  905.603   76.383  954.870  107.089  854.581  108.981  274.523   15.686  259.344   16.920 15.17892 23.07285 
1 1 1  -17    8    5 o  228.503   10.538  655.313   60.132  638.404   83.223  673.782   86.980  224.474   14.932  230.578   15.191 -6.103607 21.30092 
1 1 1  -17    8    6 o  351.995   15.366  1563.92  135.062  1635.24  163.804  1412.46  238.706  358.660   18.350  328.679   29.393 29.98096 34.65120 
1 1 1  -17    8    7 o  244.090   12.928  751.678   78.518  784.601   93.829  674.759  143.417  248.915   15.168  227.736   25.666 21.17891 29.81271 
1 1 1  -17    8    8 o  232.727   10.916  679.954   63.442  714.309   88.056  642.873   91.483  237.520   14.922  224.951   16.398 12.56953 22.17128 
1 1 1  -17    8    9 o  153.207   10.882  296.124   41.361  329.663   56.799  258.260   60.350  161.127   14.264  141.822   17.406 19.30492 22.50359 
1 1 1  -17    8   10 o  293.095   11.420  1079.00   83.583  1094.35  116.996  1063.00  119.450  293.914   16.001  289.504   16.592 4.409821 23.05024 
1 1 1  -17    8   11 o  155.105   10.322  303.165   39.751  340.139   54.795  262.092   57.753  163.823   13.515  143.089   16.463 20.73375 21.29968 
1 1 1  -17    8   12 o  261.425   11.208  858.252   73.168  864.415  102.134  851.755  104.870  261.178   15.733  259.115   16.290 2.063141 22.64720 
1 1 1  -17    8   13 o  283.464   11.454  1009.34   81.076  1015.21  113.423  1003.20  115.937  283.012   16.116  281.205   16.583 1.807190 23.12409 
1 1 1  -17    8   14 o  213.951   10.841  576.115   57.731  589.788   80.496  561.633   82.842  215.702   15.038  210.280   15.893 5.421417 21.88032 
1 1 1  -17    8   15 o  360.181   13.799  1634.20  124.116  1626.71  174.546  1641.85  176.525  357.235   19.642  358.849   19.775 -1.614258 27.87211 
1 1 1  -17    8   16 o  336.563   12.698  1425.04  106.726  1419.57  149.952  1430.65  151.934  334.180   18.036  335.429   18.207 -1.249023 25.62756 
1 1 1  -17    8   17 o  282.328   13.459  1003.74   94.890  927.431  157.625  1047.12  118.836  268.014   23.799  287.262   16.637 -19.24762 29.03776 
1 1 1  -17    8   18 o  240.132   12.820  727.615   76.599  729.167   95.014  724.734  129.462  239.700   15.965  237.229   22.108 2.470810 27.26991 
1 1 1  -17    8   19 o  252.755   11.445  802.679   72.236  843.035  101.505  761.270  102.822  257.827   15.842  244.683   16.932 13.14325 23.18769 
1 1 1  -17    8   20 o  144.942   11.110  265.403   39.908  228.859   54.701  306.987   58.352  133.469   16.783  155.204   15.253 -21.73450 22.67864 
1 1 1  -17    8   21 o  229.105   11.140  659.405   63.735  669.290   88.944  648.972   91.374  229.633   15.603  225.937   16.305 3.696243 22.56788 
1 1 1  -17    8   22 o  109.880   16.515  156.078   43.914  181.133   95.928  149.435   49.394  115.628   32.090  106.861   19.216 8.767052 37.40350 
1 1 1  -17    8   23 o  302.418   17.670  1164.20  132.864  1169.73  201.373  1159.94  176.811  299.267   27.244  299.541   23.835 -0.2733154 36.19858 
1 1 1  -17    8   24 o  214.865   12.398  583.086   66.241  506.898  103.067  636.703   86.463  198.075   21.165  223.845   15.565 -25.77020 26.27195 
1 1 1  -17    8   25 f  240.442   11.769  727.474   70.663  619.913   99.202  838.264  100.680  220.062   18.216  256.850   15.773 -36.78789 24.09573 
1 1 1  -17    8   26 o  241.765   11.810  735.911   71.299  700.903  100.603  771.241  101.062  234.224   17.323  245.992   16.548 -11.76820 23.95671 
1 1 1  -17    8   27 o   93.236   13.605  112.063   30.743  117.488   41.326  105.341   46.002   94.489   18.174   88.862   21.054 5.626579 27.81290 
1 1 1  -17    8   28 o  164.880   15.634  348.309   63.600  201.433  139.919  386.559   71.403  120.890   39.906  173.475   16.689 -52.58541 43.25496 
1 1 1  -17    8   29 o  106.763   18.309  149.929   47.056  304.353  138.174  129.670   50.047  145.335   37.738   98.434   21.000 46.90046 43.18732 
1 1 1  -17    8   30 f  115.881   17.308  175.657   48.550  100.129  144.728  185.234   51.537   98.824   39.255  118.877   17.917 -20.05253 43.15046 
1 1 1  -17    8   31 o  185.427   31.240  481.110  139.512   0.0000   0.0000  481.110  139.512  ?   ?   185.427   31.240 0.000000 31.23970 
1 1 1  -17    8   32 o  172.755   25.110  406.196  105.152  269.981  170.245  490.213  133.704  131.596   44.040  187.263   29.573 -55.66716 53.04810 
1 1 1  -17    8   33 o  159.815   15.749  332.140   62.035  329.779  173.300  332.487   66.438  142.221   44.162  159.404   16.950 -17.18358 47.30350 
1 1 1  -17    8   34 o   70.764   20.458   68.071   38.195   77.376  165.173   67.546   39.259   94.166   40.077   70.556   20.840 23.60989 45.17189 
1 1 1  -17    8   35 o  170.706   15.314  380.259   64.587  647.550  191.644  346.011   68.600  202.347   39.344  161.854   17.238 40.49309 42.95428 
1 1 1  -17    8   36 o  144.662   17.229  278.001   61.014  267.273  195.260  279.162   64.230  122.972   46.469  144.475   18.207 -21.50302 49.90890 
1 1 1  -17    8   37 o  237.931   19.004  758.755  111.973  848.259  240.424  733.964  126.533  220.557   45.172  231.178   22.191 -10.62050 50.32820 
1 1 1  -17    8   38 o  126.767   17.311  216.196   53.368  467.847  226.213  201.365   54.918  149.259   50.761  121.573   18.688 27.68567 54.09203 
1 1 1  -17    8   39 o  147.098   17.814  293.020   64.101   0.0000   0.0000  293.020   64.101  ?   ?   147.098   17.814 0.000000 17.81365 
1 1 1  -17    8   40 o  124.595   18.116  213.263   54.714  287.201  245.152  209.387   56.130  112.786   48.433  122.974   18.882 -10.18777 51.98360 
1 1 1  -17    9    1 o  100.527   11.969  128.861   29.455  121.633   39.372  138.049   44.389   96.639   16.932  102.886   17.929 -6.246735 24.66030 
1 1 1  -17    9    2 o  319.581   12.062  1284.56   96.261  1267.02  135.024  1302.69  137.272  315.763   17.189  320.175   17.232 -4.412445 24.33928 
1 1 1  -17    9    3 o  111.052   11.507  156.623   31.448  138.111   42.259  179.599   47.079  103.136   17.001  118.063   16.412 -14.92702 23.63029 
1 1 1  -17    9    4 o  460.005   15.650  2673.82  179.779  2615.22  253.034  2733.55  255.476  452.125   22.411  462.381   22.126 -10.25623 31.49321 
1 1 1  -17    9    5 o  262.736   10.947  866.914   71.822  921.215  100.412  810.031  102.772  269.761   14.965  252.557   16.384 17.20445 22.18938 
1 1 1  -17    9    6 o  138.641   10.626  242.690   36.508  292.860   49.885  184.828   53.572  151.943   13.281  119.339   18.581 32.60458 22.83955 
1 1 1  -17    9    7 o  114.943   11.319  167.548   32.069  168.044   43.127  166.933   47.962  114.351   15.503  113.542   17.476 0.8089447 23.36122 
1 1 1  -17    9    8 o  213.583   10.921  574.273   58.052  638.409   80.826  505.937   83.430  224.551   14.491  199.258   16.927 25.29225 22.28309 
1 1 1  -17    9    9 o  345.053   12.731  1497.98  109.696  1531.82  153.966  1463.11  156.327  347.231   17.816  339.094   18.532 8.137390 25.70683 
1 1 1  -17    9   10 o  469.299   15.931  2782.84  186.705  2960.25  263.584  2604.19  264.499  481.490   21.922  450.246   23.607 31.24368 32.21587 
1 1 1  -17    9   11 o  468.011   15.911  2767.46  185.954  3015.92  262.757  2518.16  263.202  486.138   21.644  442.577   23.904 43.56158 32.24684 
1 1 1  -17    9   12 o  456.998   15.956  2638.97  182.091  2866.24  257.574  2411.91  257.457  473.855   21.767  433.110   23.897 40.74551 32.32452 
1 1 1  -17    9   13 o  187.064   10.614  440.636   49.376  413.126   67.814  471.676   72.034  180.297   15.204  192.758   15.085 -12.46042 21.41770 
1 1 1  -17    9   14 o  191.236   10.169  460.140   48.387  448.579   66.768  472.928   70.222  188.103   14.322  193.098   14.673 -4.994904 20.50364 
1 1 1  -17    9   15 o  120.206   11.602  183.222   34.394  181.588   46.616  185.174   50.955  118.820   16.128  119.693   17.571 -0.8734970 23.85015 
1 1 1  -17    9   16 o  157.605   14.212  315.590   55.331  240.867  104.936  344.365   65.119  133.168   31.962  164.309   16.077 -31.14102 35.77742 
1 1 1  -17    9   17 o  137.268   15.258  240.712   51.418  240.712   51.418   0.0000   0.0000  137.268   15.258  ?   ?  0.000000 15.25840 
1 1 1  -17    9   18 o  225.355   11.390  639.662   63.889  633.203   88.826  646.585   91.962  223.261   16.039  225.522   16.443 -2.260757 22.96970 
1 1 1  -17    9   19 o  372.104   14.189  1745.76  131.846  1742.76  185.247  1748.83  187.693  369.449   20.155  369.997   20.393 -0.5480042 28.67246 
1 1 1  -17    9   20 o  127.476   11.803  206.000   37.147  214.050   50.569  196.564   54.749  129.168   16.022  123.172   18.361 5.996155 24.36811 
1 1 1  -17    9   21 o  299.276   12.898  1127.65   96.394  1189.17  135.545  1064.70  137.113  305.685   17.834  288.778   19.122 16.90707 26.14753 
1 1 1  -17    9   22 f  158.779   16.006  322.009   62.599  329.945  108.428  318.041   76.666  157.100   28.696  156.801   20.038 0.2985229 34.99962 
1 1 1  -17    9   23 o  188.379   16.863  453.124   78.487  298.665  130.519  540.618   98.232  147.020   35.869  205.202   19.400 -58.18118 40.77916 
1 1 1  -17    9   24 o  243.982   12.460  751.436   75.663  700.709  106.423  803.285  107.593  234.081   18.353  251.050   17.267 -16.96902 25.19923 
1 1 1  -17    9   25 o  114.300   12.625  166.554   35.435  155.672   47.517  180.187   53.187  109.287   18.041  117.588   18.742 -8.301666 26.01405 
1 1 1  -17    9   26 o  168.085   11.643  357.323   48.571  328.255   67.446  388.637   70.004  159.848   17.165  174.306   16.271 -14.45886 23.65146 
1 1 1  -17    9   27 o  129.370   11.916  212.658   38.062  185.038   51.830  244.990   56.077  119.234   17.965  137.887   16.621 -18.65334 24.47434 
1 1 1  -17    9   28 o  134.694   12.124  230.737   40.343  238.013   55.695  222.705   58.518  135.715   16.792  130.761   18.432 4.954529 24.93444 
1 1 1  -17    9   29 o  207.288   15.092  549.151   77.585  447.224  161.916  579.528   88.393  176.624   37.849  212.398   16.803 -35.77379 41.41093 
1 1 1  -17    9   30 o  138.838   16.257  249.566   55.296  210.065  140.805  256.769   60.127  121.147   40.034  140.458   17.524 -19.31074 43.70128 
1 1 1  -17    9   31 o  219.113   17.449  621.724   94.681   0.0000   0.0000  621.724   94.681  ?   ?   219.113   17.449 0.000000 17.44860 
1 1 1  -17    9   32 o  153.413   35.375  346.716  132.753   0.0000   0.0000  346.716  132.753  ?   ?   153.413   35.375 0.000000 35.37541 
1 1 1  -17    9   33 o   75.726   20.573   78.105   39.916  262.465  155.240   65.054   41.305  128.879   42.009   69.804   21.541 59.07538 47.21037 
1 1 1  -17    9   34 o  109.097   17.200  158.243   45.307  408.320  167.902  138.604   47.052  158.738   41.786  101.185   19.326 57.55289 46.03844 
1 1 1  -17    9   35 o  123.471   17.344  202.751   52.001  197.504  172.900  203.273   54.525  112.695   43.447  123.233   18.272 -10.53807 47.13303 
1 1 1  -17    9   36 o   99.114   19.183  134.095   45.762 -11.5658  180.847  144.060   47.301   84.320   38.519  102.843   19.122 -18.52336 43.00407 
1 1 1  -17    9   37 o  100.918   19.608  140.013   47.634  230.966  200.749  134.587   49.035  115.545   46.126   98.462   20.604 17.08228 50.51877 
1 1 1  -17    9   38 o  134.422   19.415  246.647   63.284  412.667  228.380  232.839   65.863  139.921   50.722  129.594   21.076 10.32643 54.92698 
1 1 1  -17    9   39 o  104.340   45.862  174.559  230.695  174.559  230.695   0.0000   0.0000  104.340   45.862  ?   ?  0.000000 45.86174 
1 1 1  -17    9   40 o   66.235   21.167   61.275   39.544 -94.2402  244.706   65.445   40.070   81.902   39.562   68.127   21.249 13.77534 44.90738 
1 1 1  -17   10    1 o  335.578   12.488  1417.78  104.652  1375.66  146.031  1462.24  150.051  328.681   17.859  338.920   17.791 -10.23929 25.20856 
1 1 1  -17   10    2 o  293.469   11.614  1082.97   85.112  1051.91  118.427  1116.15  122.406  287.732   16.552  296.401   16.604 -8.668213 23.44497 
1 1 1  -17   10    3 o  116.548   11.447  172.362   32.886  164.298   44.120  182.443   49.330  112.865   16.111  118.818   17.120 -5.953896 23.50885 
1 1 1  -17   10    4 o  438.086   14.788  2423.09  161.780  2360.63  227.310  2487.22  230.303  429.912   21.173  441.419   20.893 -11.50687 29.74591 
1 1 1  -17   10    5 o  173.407   10.532  378.922   45.391  376.102   62.122  382.152   66.485  172.035   14.598  173.225   15.535 -1.189713 21.31741 
1 1 1  -17   10    6 o  115.396   11.631  169.052   33.059  166.102   44.596  172.651   49.257  113.502   16.193  115.434   17.648 -1.932411 23.95158 
1 1 1  -17   10    7 o  454.263   15.232  2606.16  172.792  2611.55  243.281  2600.67  245.463  452.169   21.546  451.110   21.790 1.058533 30.64317 
1 1 1  -17   10    8 o  205.042   10.947  529.507   55.848  596.856   77.168  455.437   80.927  217.088   14.315  188.832   17.356 28.25577 22.49817 
1 1 1  -17   10    9 o  412.866   14.783  2151.08  152.415  2354.20  214.936  1945.64  216.163  430.028   20.015  389.438   22.321 40.58954 29.98040 
1 1 1  -17   10   10 o  251.683   11.287  795.821   70.939  877.309   99.238  710.670  101.445  263.180   15.164  236.249   17.316 26.93149 23.01725 
1 1 1  -17   10   11 o  368.266   13.431  1708.18  123.516  1804.93  173.799  1609.44  175.572  377.100   18.456  355.111   19.879 21.98892 27.12541 
1 1 1  -17   10   12 o  289.050   11.930  1050.40   86.113  1099.68  120.426  998.825  123.186  294.407   16.446  280.184   17.697 14.22287 24.15918 
1 1 1  -17   10   13 o  508.351   17.205  3272.89  218.408  3458.60  308.375  3085.95  309.379  519.244   23.782  488.951   25.426 30.29364 34.81492 
1 1 1  -17   10   14 o  128.815   11.386  210.080   36.250  197.197   49.247  225.316   53.553  123.850   16.321  132.471   16.550 -8.621582 23.24360 
1 1 1  -17   10   15 o  316.535   12.380  1260.31   97.858  1276.88  137.142  1243.13  139.678  317.019   17.390  312.606   17.968 4.412903 25.00536 
1 1 1  -17   10   16 o  107.751   12.857  148.151   33.913  171.624   46.373  121.165   49.722  115.345   16.576   95.645   21.358 19.70026 27.03540 
1 1 1  -17   10   17 o  191.438   11.042  461.815   52.564  470.801   72.584  451.905   76.222  192.516   15.222  188.335   16.370 4.180923 22.35374 
1 1 1  -17   10   18 o  263.551   11.935  873.326   78.548  842.951  109.448  905.587  112.795  257.440   17.122  266.903   17.012 -9.462769 24.13676 
1 1 1  -17   10   19 o  253.747   11.910  809.596   75.468  787.536  105.002  833.168  108.543  248.813   17.001  255.928   17.082 -7.115234 24.10049 
1 1 1  -17   10   20 o  101.413   12.963  131.546   32.077  132.421   43.065  130.457   48.075  100.767   17.763   99.520   20.038 1.247032 26.77774 
1 1 1  -17   10   21 o  268.523   11.674  906.568   78.283  902.475  109.069  910.916  112.425  266.519   16.468  267.644   16.908 -1.124939 23.60276 
1 1 1  -17   10   22 o  139.049   16.867  248.406   57.370  271.904  102.159  237.581   69.336  141.919   29.776  134.829   21.301 7.090363 36.61030 
1 1 1  -17   10   23 o  257.653   17.073  845.308  109.225  781.183  170.324  890.097  142.348  243.434   28.561  262.811   21.889 -19.37747 35.98428 
1 1 1  -17   10   24 o  128.314   12.256  209.125   38.792  211.117   52.731  206.775   57.270  127.964   16.916  126.174   18.746 1.789444 25.25046 
1 1 1  -17   10   25 o  241.346   11.715  733.098   70.606  641.552   98.259  830.834  101.526  223.976   17.712  255.582   15.988 -31.60562 23.86077 
1 1 1  -17   10   26 o  259.956   11.676  850.914   75.797  806.531  106.649  896.216  107.746  251.334   17.094  265.242   16.347 -13.90814 23.65200 
1 1 1  -17   10   27 o  275.658   12.956  959.495   89.185  979.351  125.918  939.508  126.338  276.383   18.348  270.495   18.821 5.888580 26.28478 
1 1 1  -17   10   28 o  195.497   11.700  483.727   56.854  427.043   79.167  544.095   81.700  182.052   17.635  206.214   15.991 -24.16191 23.80531 
1 1 1  -17   10   29 o  128.155   12.116  209.335   38.316  197.199   52.060  223.677   56.597  123.010   17.436  131.050   17.751 -8.040230 24.88210 
1 1 1  -17   10   30 o   91.850   20.292  113.306   45.302   87.222  134.024  116.671   48.135   94.423   37.690   93.018   21.195 1.405495 43.24125 
1 1 1  -17   10   31 o  160.009   15.811  330.898   62.349  351.309  157.498  327.105   67.895  152.294   40.653  158.506   17.442 -6.211914 44.23680 
1 1 1  -17   10   32 f  166.436   34.075  402.542  136.854   0.0000   0.0000  402.542  136.854  ?   ?   166.436   34.075 0.000000 34.07463 
1 1 1  -17   10   33 o  170.103   16.099  376.547   67.571  264.236  165.923  398.877   73.984  128.727   43.475  174.631   17.188 -45.90323 46.74980 
1 1 1  -17   10   34 o   71.851   30.390   28.495   93.988 -69.7072  158.790   81.453  116.608   75.514   35.066   87.066   35.014 -11.55196 49.55420 
1 1 1  -17   10   35 o   54.797   20.103   33.780   36.029   58.908  173.183   32.643   36.835   91.950   40.092   54.603   20.274 37.34741 44.92664 
1 1 1  -17   10   36 o  127.034   17.589  215.468   54.300   97.062  190.197  225.975   56.658   97.998   42.374  129.982   17.933 -31.98339 46.01228 
1 1 1  -17   10   37 o   69.639   20.831   66.749   39.038  199.634  196.150   61.268   39.834  110.980   45.134   67.184   21.221 43.79655 49.87373 
1 1 1  -17   10   38 o   57.378   21.113   38.614   39.780   0.0000   0.0000   38.614   39.780  ?   ?    57.378   21.113 0.000000 21.11258 
1 1 1  -17   10   39 o  151.983   17.388  310.903   64.804  410.999  237.794  302.873   67.353  135.038   51.221  149.324   18.455 -14.28580 54.44406 
1 1 1  -17   10   40 o   91.508   20.818  119.456   46.500  305.920  246.015  112.548   47.353  116.163   49.152   88.385   21.630 27.77816 53.70079 
1 1 1  -17   11    1 o   79.527   14.872   82.449   28.449  120.160   37.702   32.583   43.354   96.122   16.288   58.195   21.918 37.92749 27.30784 
1 1 1  -17   11    2 o  292.793   11.388  1077.99   83.263  1063.11  115.318  1094.20  120.347  289.343   16.022  293.410   16.492 -4.067291 22.99361 
1 1 1  -17   11    3 o  258.564   11.120  840.324   71.799  891.529   99.806  785.401  103.365  265.162   15.136  248.388   16.763 16.77388 22.58474 
1 1 1  -17   11    4 o  439.758   14.794  2442.76  162.457  2399.14  228.200  2487.59  231.329  433.243   21.093  441.203   20.996 -7.960480 29.76147 
1 1 1  -17   11    5 o  315.822   12.314  1255.32   97.120  1283.82  135.749  1225.43  139.005  317.761   17.171  310.146   18.026 7.615601 24.89530 
1 1 1  -17   11    6 o  170.062   10.563  364.574   44.635  381.977   60.912  344.391   65.596  173.442   14.188  164.197   16.209 9.244629 21.54156 
1 1 1  -17   11    7 o  339.128   12.703  1447.89  107.576  1406.56  150.599  1490.96  153.721  332.338   18.216  342.251   18.050 -9.913391 25.64409 
1 1 1  -17   11    8 o  147.114   11.000  273.384   40.119  315.167   54.945  225.673   58.714  157.465   14.123  132.133   18.284 25.33194 23.10391 
1 1 1  -17   11    9 o  401.941   13.839  2036.74  138.903  2116.95  195.028  1954.16  197.879  407.996   19.142  391.046   20.334 16.94946 27.92659 
1 1 1  -17   11   10 o  190.599   10.760  457.658   51.003  480.644   69.916  431.512   74.567  194.655   14.487  183.961   16.404 10.69334 21.88545 
1 1 1  -17   11   11 o  418.157   14.355  2205.75  149.894  2236.84  210.543  2173.79  213.452  419.035   20.121  412.321   20.798 6.714355 28.93757 
1 1 1  -17   11   12 o  286.938   11.830  1035.18   84.767  1130.99  118.812  935.848  120.976  298.659   15.989  271.031   17.976 27.62708 24.05792 
1 1 1  -17   11   13 o  439.389   15.340  2438.76  168.315  2652.95  237.387  2222.23  238.684  456.052   20.845  415.816   23.077 40.23538 31.09736 
1 1 1  -17   11   14 o  168.278   11.033  357.200   46.108  398.447   63.359  310.767   67.225  177.153   14.448  155.625   17.608 21.52797 22.77687 
1 1 1  -17   11   15 o  359.416   19.844  1649.12  177.413   0.0000   0.0000  1649.12  177.413  ?   ?   359.416   19.844 0.000000 19.84372 
1 1 1  -17   11   16 o  176.420   15.294  395.972   66.713  395.972   66.713   0.0000   0.0000  176.420   15.294  ?   ?  0.000000 15.29427 
1 1 1  -17   11   17 o  169.584   10.924  362.687   46.016  375.724   63.218  347.996   67.108  171.902   14.873  165.039   16.504 6.863098 22.21734 
1 1 1  -17   11   18 o   99.872   12.653  127.495   30.849  113.898   41.141  144.960   46.627   93.172   18.335  105.403   18.383 -12.23080 25.96403 
1 1 1  -17   11   19 o  485.738   16.779  2988.04  203.520  3110.72  286.971  2863.89  288.677  492.377   23.339  471.147   24.622 21.23035 33.92563 
1 1 1  -17   11   20 o  112.141   12.626  160.254   34.742  202.628   46.959  109.011   51.640  125.751   15.267   90.506   22.846 35.24522 27.47775 
1 1 1  -17   11   21 o  143.178   17.138  263.409   60.057  105.485   99.944  352.661   75.135   94.504   33.639  165.617   18.482 -71.11328 38.38241 
1 1 1  -17   11   22 o  263.549   16.722  883.548  109.483  922.378  170.361  856.228  142.899  265.921   25.987  257.534   22.444 8.387115 34.33740 
1 1 1  -17   11   23 o  116.327   19.805  177.078   55.470   25.408  106.780  233.135   64.917   78.376   32.723  133.803   20.046 -55.42697 38.37492 
1 1 1  -17   11   24 o  173.699   11.920  381.509   51.393  376.876   70.955  386.621   74.537  171.587   16.774  173.647   17.424 -2.060135 24.18618 
1 1 1  -17   11   25 o  161.271   11.487  328.922   45.957  360.704   63.170  293.185   66.985  168.146   15.209  150.731   18.162 17.41508 23.68886 
1 1 1  -17   11   26 o  305.018   12.198  1172.71   92.911  1081.35  130.264  1267.31  132.558  290.754   18.030  315.292   16.898 -24.53806 24.71059 
1 1 1  -17   11   27 o  245.048   12.495  759.795   76.204  735.279  106.951  785.076  108.605  239.351   18.026  247.487   17.690 -8.135849 25.25590 
1 1 1  -17   11   28 o  313.328   13.359  1242.57  104.528  1219.09  147.480  1266.28  148.172  307.554   19.301  313.616   19.010 -6.062805 27.09012 
1 1 1  -17   11   29 o   45.744   16.352   23.015   23.640   31.386   29.185   7.0444   40.313   52.119   18.211   47.976   20.075 4.142853 27.10449 
1 1 1  -17   11   30 o   89.777   13.905  104.745   30.165   75.945   38.788  148.821   47.985   75.243   20.213  105.977   18.822 -30.73363 27.61929 
1 1 1  -17   11   31 o  156.253   16.801  317.216   64.524   77.316  150.987  370.818   71.370   94.883   39.203  168.930   17.156 -74.04658 42.79311 
1 1 1  -17   11   32 o  102.987   36.844  145.983  120.040   0.0000   0.0000  145.983  120.040  ?   ?   102.987   36.844 0.000000 36.84438 
1 1 1  -17   11   33 o  138.445   30.992  277.928  104.476  281.404  166.093  275.653  134.393  132.189   43.471  133.527   38.309 -1.337738 57.94191 
1 1 1  -17   11   34 o  112.959   18.883  171.407   51.386  240.556  162.372  163.711   54.170  122.208   42.941  109.668   20.535 12.53999 47.59842 
1 1 1  -17   11   35 o   92.199   20.766  117.349   46.663  200.662  168.805  110.456   48.555  113.164   43.100   89.030   21.973 24.13470 48.37817 
1 1 1  -17   11   36 o  136.250   18.435  248.846   61.114  216.201  186.880  252.756   64.670  114.897   44.924  136.807   19.480 -21.90942 48.96585 
1 1 1  -17   11   37 o  138.927   34.509  303.017  119.183  370.147  203.326  267.877  147.105  139.208   48.100  125.265   40.897 13.94315 63.13648 
1 1 1  -17   11   38 o  112.909   47.124  224.521  221.326  224.521  221.326   0.0000   0.0000  112.909   47.124  ?   ?  0.000000 47.12369 
1 1 1  -17   11   39 o  188.723   19.174  484.470   89.107  597.491  253.872  468.590   95.162  162.430   53.760  184.045   21.086 -21.61583 57.74722 
1 1 1  -17   11   40 o   85.443   20.897  104.406   44.219  197.413  246.337  101.310   44.949  104.767   46.652   83.953   21.382 20.81480 51.31868 
1 1 1  -17   12    1 o  203.353   14.850  525.632   74.887  525.494  108.097  525.760  103.843  201.284   21.857  201.645   20.927 -0.3608551 30.26013 
1 1 1  -17   12    2 o  303.628   16.919  1173.37  127.770  1190.93  182.566  1156.51  178.880  302.869   24.344  298.499   24.206 4.370605 34.33046 
1 1 1  -17   12    3 o  323.093   12.270  1314.44   99.001  1347.86  137.621  1278.59  142.525  325.503   16.990  316.609   18.102 8.893219 24.82599 
1 1 1  -17   12    4 o  221.743   10.653  617.795   58.987  595.104   80.843  643.629   86.260  216.459   15.050  225.051   15.442 -8.592682 21.56284 
1 1 1  -17   12    5 o  251.804   11.242  797.145   70.691  806.446   97.816  786.976  102.278  252.002   15.621  248.670   16.565 3.331543 22.76869 
1 1 1  -17   12    6 o  121.353   11.820  186.974   35.364  206.843   47.753  162.843   52.626  127.013   15.368  111.506   19.616 15.50701 24.91924 
1 1 1  -17   12    7 o  143.831   10.974  261.447   39.119  253.262   52.869  271.348   58.153  140.749   15.288  145.525   16.281 -4.776367 22.33385 
1 1 1  -17   12    8 o  145.601   10.736  267.730   38.760  293.507   52.578  237.048   57.365  151.907   14.018  135.668   17.328 16.23914 22.28860 
1 1 1  -17   12    9 o  220.501   10.871  610.834   59.859  588.553   82.258  635.912   87.269  215.246   15.405  223.703   15.722 -8.456741 22.01154 
1 1 1  -17   12   10 o  148.183   10.877  277.309   39.969  261.321   53.778  297.039   59.740  143.018   15.295  152.441   15.929 -9.423553 22.08290 
1 1 1  -17   12   11 o  318.877   12.505  1279.85   99.580  1348.99  139.219  1207.43  142.492  325.791   17.173  307.691   18.633 18.09995 25.33956 
1 1 1  -17   12   12 o  339.473   12.954  1451.30  109.818  1525.10  153.787  1374.52  156.871  346.235   17.848  328.160   19.227 18.07532 26.23366 
1 1 1  -17   12   13 o  214.093   11.171  577.495   59.518  676.119   82.481  470.352   85.969  231.053   14.366  191.658   18.180 39.39488 23.17112 
1 1 1  -17   12   14 o  215.317   13.374  586.338   71.554  592.333  126.551  583.520   86.752  213.406   24.173  214.125   16.348 -0.7195282 29.18212 
1 1 1  -17   12   15 o  145.814   13.759  270.345   49.509  245.953   54.529  384.803  118.121  138.551   16.058  169.908   28.873 -31.35619 33.03795 
1 1 1  -17   12   16 f  277.579   11.670  968.746   80.893  972.206  112.447  965.034  116.460  276.693   16.347  275.476   17.013 1.216919 23.59337 
1 1 1  -17   12   17 o  295.207   12.118  1096.32   89.333  1075.77  124.644  1118.02  128.099  290.828   17.239  296.460   17.379 -5.631897 24.47935 
1 1 1  -17   12   18 o  282.058   11.355  999.962   79.982  992.258  110.983  1008.29  115.367  279.631   15.960  281.741   16.469 -2.110596 22.93359 
1 1 1  -17   12   19 o  226.223   11.859  645.405   66.759  685.727   92.499  601.567   96.446  232.263   16.046  216.973   17.962 15.28944 24.08567 
1 1 1  -17   12   20 o  208.799   15.389  554.044   79.673  708.307  128.557  457.844  101.521  234.156   22.253  187.903   22.055 46.25311 31.33088 
1 1 1  -17   12   21 o  189.044   15.686  455.091   73.382  523.144  120.555  415.034   92.491  200.097   24.647  179.047   21.091 21.05008 32.43939 
1 1 1  -17   12   22 o   94.752   21.265  119.220   49.080  116.970  100.159  119.931   56.303   97.398   33.754   94.734   23.823 2.663666 41.31427 
1 1 1  -17   12   23 o  179.374   12.029  406.799   53.570  432.250   73.829  378.500   77.850  184.012   16.233  171.530   18.466 12.48195 24.58655 
1 1 1  -17   12   24 o  240.306   12.102  729.043   72.390  727.739  100.429  730.453  104.437  238.837   16.949  239.080   17.617 -0.2431946 24.44622 
1 1 1  -17   12   25 o  100.884   13.836  130.895   33.937  149.563   44.827  105.826   51.945  107.160   17.344   88.955   23.158 18.20522 28.93307 
1 1 1  -17   12   26 o  150.900   11.669  288.559   43.632  270.900   59.201  309.557   64.556  145.070   16.643  155.114   16.942 -10.04391 23.74887 
1 1 1  -17   12   27 f  418.704   15.444  2226.74  161.478  2169.17  227.598  2285.08  229.139  408.920   22.373  420.043   21.921 -11.12292 31.32245 
1 1 1  -17   12   28 o  128.793   12.335  211.468   39.187  187.587   52.540  241.408   58.829  119.773   18.134  136.305   17.701 -16.53139 25.34088 
1 1 1  -17   12   29 o  228.466   11.625  661.130   66.107  620.711   92.079  704.124   94.967  219.607   16.921  234.202   16.340 -14.59546 23.52273 
1 1 1  -17   12   30 o  104.701   13.022  141.170   33.313  129.074   44.001  157.415   50.990   98.554   18.560  108.803   19.483 -10.24898 26.90788 
1 1 1  -17   12   31 o  123.499   12.759  195.758   38.783  193.153   52.501  198.888   57.538  121.117   17.898  122.379   19.481 -1.262299 26.45438 
1 1 1  -17   12   32 o   85.088   34.911   62.361  118.662   0.0000   0.0000   62.361  118.662  ?   ?    85.088   34.911 0.000000 34.91053 
1 1 1  -17   12   33 o  138.894   30.669  279.468  103.529  298.454  165.440  267.247  132.730  135.634   43.291  131.360   38.183 4.273865 57.72364 
1 1 1  -17   12   34 o   94.489   20.851  122.708   47.881  100.419  154.278  125.083   50.368   95.914   39.629   95.126   21.685 0.7874756 45.17393 
1 1 1  -17   12   35 o  148.633   17.735  293.200   64.525   70.606  173.803  328.784   69.492   93.416   40.449  157.354   18.009 -63.93800 44.27736 
1 1 1  -17   12   36 o  187.620   16.597  463.393   76.958  632.672  202.085  434.680   83.229  194.676   42.740  180.411   18.748 14.26508 46.67138 
1 1 1  -17   12   37 o   84.109   22.577  100.028   48.415   0.0000   0.0000  100.028   48.415  ?   ?    84.109   22.577 0.000000 22.57749 
1 1 1  -17   12   38 o   78.151   22.564   86.538   46.490   6.1839  201.034   91.079   47.786   87.172   40.113   80.028   22.805 7.143738 46.14256 
1 1 1  -17   12   39 o  212.284   20.725  620.149  108.464  311.189  242.548  697.376  121.264  120.798   49.777  223.951   21.966 -103.1528 54.40845 
1 1 1  -17   12   40 f  101.863   22.614  150.057   56.024  251.770  240.206  144.206   57.613  110.521   47.704   99.243   23.593 11.27790 53.21980 
1 1 1  -17   13    1 o  128.138   11.565  208.337   36.608  195.616   48.644  224.949   55.590  123.168   16.209  131.956   17.286 -8.787422 23.69674 
1 1 1  -17   13    2 o  221.759   10.712  618.268   59.322  627.436   80.968  607.644   87.161  222.265   14.670  218.339   16.100 3.926300 21.78108 
1 1 1  -17   13    3 o  146.443   12.317  272.025   44.625  261.588   55.391  291.328   75.330  142.863   15.790  149.553   20.728 -6.690079 26.05730 
1 1 1  -17   13    4 o  214.886   15.191  587.064   80.993  635.676  119.200  545.375  110.388  221.611   21.823  205.096   21.892 16.51498 30.91064 
1 1 1  -17   13    5 o  306.531   17.065  1196.23  130.107  1220.22  186.464  1173.47  181.631  306.485   24.570  300.599   24.407 5.886566 34.63216 
1 1 1  -17   13    6 o  142.370   15.542  259.438   54.360  242.652   81.831  272.695   72.725  135.037   25.194  144.687   20.720 -9.650055 32.61929 
1 1 1  -17   13    7 o  151.194   15.278  291.952   56.894  321.640   86.226  269.061   75.714  156.795   22.681  143.408   21.831 13.38725 31.48067 
1 1 1  -17   13    8 o  310.724   11.970  1215.01   92.876  1206.36  128.771  1224.38  134.083  308.013   16.805  310.116   17.384 -2.103119 24.17895 
1 1 1  -17   13    9 o  120.138   11.884  183.327   35.184  196.169   47.271  167.375   52.683  123.575   15.671  113.142   19.341 10.43322 24.89294 
1 1 1  -17   13   10 o  224.050   11.287  632.652   62.947  629.070   86.577  636.669   91.685  222.456   15.685  223.581   16.539 -1.125168 22.79397 
1 1 1  -17   13   11 o  218.298   11.044  600.399   60.007  620.281   82.342  577.882   87.631  221.065   15.005  212.947   16.611 8.117615 22.38426 
1 1 1  -17   13   12 o  111.735   12.254  158.965   33.630  146.191   44.582  175.830   51.226  106.026   17.445  116.321   18.235 -10.29484 25.23575 
1 1 1  -17   13   13 o  133.343   11.396  225.130   37.582  217.160   50.325  235.179   56.508  130.102   15.815  135.170   17.125 -5.068741 23.31061 
1 1 1  -17   13   14 o  316.652   14.644  1266.15  115.795  1285.69  193.061  1255.18  144.714  314.951   24.746  313.696   18.556 1.255219 30.93079 
1 1 1  -17   13   15 o  173.744   11.222  380.969   48.428  424.072   66.163  331.225   71.077  182.697   14.625  160.541   18.042 22.15593 23.22472 
1 1 1  -17   13   16 o  394.050   14.184  1959.42  139.575  2051.35  195.747  1864.35  199.073  401.294   19.534  381.454   20.979 19.84052 28.66524 
1 1 1  -17   13   17 o  212.696   11.464  570.419   60.662  618.075   83.348  516.740   88.459  220.629   15.221  200.999   17.808 19.63016 23.42672 
1 1 1  -17   13   18 o  125.672   17.658  204.189   53.886  172.833   92.970  220.053   66.127  112.935   31.680  129.656   21.153 -16.72083 38.09285 
1 1 1  -17   13   19 o  311.918   17.742  1239.24  137.621  1300.68  206.129  1189.84  184.854  315.895   26.372  302.855   24.656 13.04025 36.10263 
1 1 1  -17   13   20 o  292.130   16.995  1085.85  123.444  1160.84  184.600  1025.19  166.027  298.929   24.958  281.282   23.862 17.64703 34.52911 
1 1 1  -17   13   21 f  119.283   18.282  184.878   52.720  328.921  103.689  134.659   61.224  157.038   27.440  100.243   24.633 56.79526 36.87482 
1 1 1  -17   13   22 o  319.128   12.818  1283.51  102.148  1312.31  142.710  1253.25  146.275  320.813   17.885  313.152   18.792 7.660461 25.94247 
1 1 1  -17   13   23 o  147.053   12.031  274.076   43.794  275.112   59.347  272.838   64.890  146.380   16.525  145.324   18.286 1.056351 24.64631 
1 1 1  -17   13   24 o  217.761   12.137  599.256   65.738  635.593   91.423  560.355   94.595  223.170   16.522  208.947   18.314 14.22298 24.66541 
1 1 1  -17   13   25 o  324.757   13.057  1331.49  105.892  1306.72  147.949  1357.52  151.625  319.403   18.630  325.527   18.731 -6.124146 26.41851 
1 1 1  -17   13   26 o  214.834   11.831  583.619   63.224  553.868   87.522  616.086   91.431  207.872   17.009  219.367   16.819 -11.49429 23.92056 
1 1 1  -17   13   27 o  320.233   12.900  1296.66  103.159  1301.37  144.884  1291.82  146.914  318.316   18.304  316.978   18.642 1.338348 26.12598 
1 1 1  -17   13   28 o   73.011   16.257   70.596   28.879   56.968   36.348   93.925   47.557   66.170   20.170   83.541   22.356 -17.37109 30.11058 
1 1 1  -17   13   29 o  202.702   11.946  521.494   60.204  503.251   83.330  541.415   87.075  197.454   17.068  204.808   17.184 -7.353134 24.21984 
1 1 1  -17   13   30 o  134.005   12.420  229.586   41.089  241.432   55.636  215.370   60.945  136.202   16.708  127.499   19.783 8.702667 25.89420 
1 1 1  -17   13   31 o   63.182   16.121   53.236   25.519   35.693   31.742   85.299   42.911   54.752   19.000   79.262   21.247 -24.50920 28.50311 
1 1 1  -17   13   32 o   78.530   15.636   81.946   29.585   59.426   37.611  118.497   47.915   66.936   20.539   93.161   21.088 -26.22471 29.43678 
1 1 1  -17   13   33 o   91.285   36.807   90.713  129.217   0.0000   0.0000   90.713  129.217  ?   ?    91.285   36.807 0.000000 36.80674 
1 1 1  -17   13   34 o  167.145   16.619  366.502   68.447  408.820  173.341  358.685   74.502  157.042   42.959  164.428   18.463 -7.386520 46.75894 
1 1 1  -17   13   35 o  115.620   19.372  180.984   53.954   40.604  165.548  197.667   57.070   88.140   38.793  120.842   19.582 -32.70245 43.45541 
1 1 1  -17   13   36 o  142.355   18.077  270.851   62.813   58.888  185.391  298.339   66.762   92.575   40.884  149.384   18.278 -56.80931 44.78358 
1 1 1  -17   13   37 f   91.870   40.949   56.066  190.285   56.066  190.285   0.0000   0.0000   91.870   40.949  ?   ?  0.000000 40.94869 
1 1 1  -17   13   38 o   93.491   21.607  123.478   49.434  112.189  206.789  124.162   50.910   98.445   43.342   93.518   22.143 4.926903 48.67075 
1 1 1  -17   13   39 o  217.570   20.288  649.097  108.955  470.091  241.834  694.686  122.043  143.659   52.177  223.221   22.188 -79.56267 56.69895 
1 1 1  -17   13   40 o   84.931   22.845  105.159   49.510   42.660  232.333  108.132   50.674   90.311   42.096   86.011   23.102 4.299995 48.01874 
1 1 1  -17   14    1 o  211.420   11.040  564.063   58.082  591.784   78.756  531.007   86.002  215.699   14.709  203.609   17.072 12.08928 22.53465 
1 1 1  -17   14    2 o  403.728   14.129  2061.20  142.443  2056.72  199.082  2065.89  203.895  400.812   19.890  400.957   20.431 -0.1452026 28.51435 
1 1 1  -17   14    3 o  389.748   13.935  1919.73  135.628  1974.98  189.646  1861.88  194.045  393.146   19.317  380.677   20.488 12.46893 28.15846 
1 1 1  -17   14    4 o  341.761   12.888  1473.24  109.992  1470.66  153.140  1475.99  158.082  339.332   18.138  339.706   18.707 -0.3736267 26.05648 
1 1 1  -17   14    5 o  312.011   12.218  1226.45   95.200  1248.65  132.422  1202.71  136.959  313.080   17.001  306.903   17.949 6.177734 24.72255 
1 1 1  -17   14    6 o  183.971   10.805  426.955   49.421  428.726   66.785  424.811   73.477  183.565   14.692  182.328   16.310 1.237076 21.95205 
1 1 1  -17   14    7 o  313.038   12.183  1234.15   95.239  1231.40  131.388  1237.19  138.249  310.992   16.983  311.410   17.852 -0.4187012 24.63964 
1 1 1  -17   14    8 o  256.073   15.854  833.643  100.882  887.720  146.963  785.455  138.729  261.885   22.697  246.183   22.826 15.70143 32.18941 
1 1 1  -17   14    9 o  108.826   19.171  155.142   50.195  174.845   83.361  143.935   62.871  113.492   29.234  103.596   24.659 9.895561 38.24524 
1 1 1  -17   14   10 o  214.669   15.491  586.077   82.485  552.221  122.123  614.478  111.854  205.643   24.247  218.285   20.770 -12.64282 31.92719 
1 1 1  -17   14   11 o  171.907   15.365  376.707   65.263  334.008   98.724  409.852   86.979  158.823   25.776  178.185   19.887 -19.36125 32.55560 
1 1 1  -17   14   12 o  274.691   16.214  959.074  110.725  1050.11  162.328  879.861  151.418  284.998   23.005  260.516   23.529 24.48196 32.90658 
1 1 1  -17   14   13 o  128.330   22.232  216.790   68.666   0.0000   0.0000  216.790   68.666  ?   ?   128.330   22.232 0.000000 22.23248 
1 1 1  -17   14   14 o  162.534   25.175  348.453   98.877  348.453   98.877   0.0000   0.0000  162.534   25.175  ?   ?  0.000000 25.17534 
1 1 1  -17   14   15 o  192.361   15.198  470.691   72.408  552.259  111.945  412.016   94.945  206.485   22.051  178.117   21.801 28.36792 31.00868 
1 1 1  -17   14   16 o  235.756   15.693  706.382   91.859  767.005  138.673  658.981  122.621  243.296   23.102  225.745   22.033 17.55135 31.92382 
1 1 1  -17   14   17 o  190.877   15.871  464.297   74.966  459.233  118.765  467.651   96.654  186.660   26.201  190.251   20.677 -3.591064 33.37713 
1 1 1  -17   14   18 o  101.872   19.925  136.757   48.873  105.338   87.930  150.802   58.791   92.299   31.646  106.451   22.803 -14.15216 39.00603 
1 1 1  -17   14   19 o  104.471   20.111  143.791   50.562   87.276   91.874  168.344   60.557   88.077   32.134  112.709   22.305 -24.63195 39.11691 
1 1 1  -17   14   20 o  238.234   16.012  722.083   94.705  820.589  147.744  653.378  123.388  251.312   23.827  224.587   22.295 26.72438 32.63133 
1 1 1  -17   14   21 o  234.112   12.128  691.983   70.659  787.888   98.967  592.265  100.915  248.862   16.010  214.762   19.013 34.09964 24.85622 
1 1 1  -17   14   22 o  150.521   11.772  286.928   43.898  317.595   59.742  250.940   64.718  157.662   15.369  139.037   19.148 18.62512 24.55319 
1 1 1  -17   14   23 o  112.477   13.102  161.728   36.112  161.926   47.924  161.469   54.930  111.483   17.814  110.604   20.647 0.8790970 27.26999 
1 1 1  -17   14   24 o  328.596   13.484  1364.13  110.648  1356.74  154.929  1371.82  158.078  325.250   19.160  326.927   19.451 -1.676697 27.30240 
1 1 1  -17   14   25 o  288.103   12.288  1047.19   88.407  1076.98  123.279  1015.63  126.850  290.310   17.080  281.478   18.143 8.831299 24.91800 
1 1 1  -17   14   26 o  229.908   11.494  666.459   65.987  667.025   91.417  665.843   95.347  228.397   16.132  227.944   16.870 0.4531250 23.34199 
1 1 1  -17   14   27 o  303.955   12.666  1168.53   96.136  1211.01  134.536  1124.20  137.422  307.134   17.615  295.358   18.729 11.77579 25.71102 
1 1 1  -17   14   28 o  193.051   12.346  473.443   59.205  494.879   81.772  449.827   85.832  195.964   16.875  186.095   18.724 9.868881 25.20598 
1 1 1  -17   14   29 o   92.566   14.433  111.572   32.275  120.032   42.016   99.394   50.410   95.022   18.371   85.556   23.068 9.466599 29.49000 
1 1 1  -17   14   30 o  138.508   12.662  245.559   43.311  249.303   58.228  240.923   64.800  138.155   17.254  134.849   19.836 3.306091 26.28986 
1 1 1  -17   14   31 o   93.964   14.399  115.337   32.710   99.834   41.808  139.802   52.521   85.828   19.895  101.398   21.414 -15.56974 29.22919 
1 1 1  -17   14   32 o  134.283   13.362  232.499   44.211  247.693   61.212  215.930   63.924  136.800   18.384  126.524   20.966 10.27554 27.88466 
1 1 1  -17   14   33 o  114.324   17.672  173.879   48.825  177.451   52.185  148.796  138.300  115.065   18.812  103.269   39.088 11.79653 43.37921 
1 1 1  -17   14   34 o  154.223   17.045  313.568   64.546  333.124  165.546  310.062   70.094  140.880   43.067  152.499   18.804 -11.61844 46.99341 
1 1 1  -17   14   35 o   60.807   21.843   44.511   42.229 -48.9214  154.914   52.011   43.891   75.705   34.971   64.145   22.338 11.55952 41.49611 
1 1 1  -17   14   36 o   64.547   22.381   53.357   44.040  180.979  180.949   45.322   45.405  108.500   43.623   61.765   22.582 46.73581 49.12167 
1 1 1  -17   14   37 o  102.071   21.476  145.702   53.007   55.367  186.230  153.666   55.294   91.030   40.547  104.708   21.853 -13.67749 46.06111 
1 1 1  -17   14   38 o  109.678   20.934  167.839   55.244  206.353  206.332  164.865   57.338  109.731   45.623  108.121   21.985 1.609825 50.64400 
1 1 1  -17   14   39 f  200.104   19.037  544.352   93.982  329.566  244.784  581.487  101.783  122.397   50.171  205.973   20.042 -83.57507 54.02576 
1 1 1  -17   14   40 o  107.415   22.849  167.119   59.406   79.504  232.467  173.240   61.446   93.095   42.946  109.156   23.254 -16.06107 48.83771 
1 1 1  -17   15    1 o  262.847   11.489  870.689   75.414  886.675  103.128  852.315  110.563  263.742   15.730  258.025   17.259 5.716370 23.35159 
1 1 1  -17   15    2 o  412.005   14.520  2150.21  149.395  2163.16  208.479  2136.54  214.188  410.430   20.341  406.948   21.150 3.481659 29.34396 
1 1 1  -17   15    3 o  241.034   11.391  731.713   68.564  754.658   93.821  705.412  100.445  243.419   15.515  234.762   17.255 8.657364 23.20460 
1 1 1  -17   15    4 o   94.675   14.445  115.928   33.069  133.730   43.190   90.705   51.411  101.054   17.764   82.664   23.687 18.38986 29.60799 
1 1 1  -17   15    5 o  531.145   17.203  3589.37  228.177  3557.07  320.535  3622.55  324.891  523.749   24.508  528.459   24.619 -4.709595 34.73811 
1 1 1  -17   15    6 o  235.543   10.961  697.962   64.469  678.437   87.422  721.240   95.454  230.937   15.245  237.871   16.165 -6.934265 22.22002 
1 1 1  -17   15    7 o  172.764   10.716  376.733   46.001  383.511   61.939  368.395   68.697  173.569   14.421  169.606   16.426 3.963501 21.85768 
1 1 1  -17   15    8 o  142.498   11.357  257.111   40.077  234.496   53.410  286.252   60.627  135.057   16.157  149.306   16.539 -14.24876 23.12081 
1 1 1  -17   15    9 o  160.520   11.229  325.709   44.728  354.916   60.133  289.537   66.919  166.924   14.572  149.741   18.275 17.18262 23.37380 
1 1 1  -17   15   10 o  241.922   11.415  736.420   68.963  747.237   94.542  724.118  100.818  242.377   15.704  238.187   17.063 4.189880 23.19000 
1 1 1  -17   15   11 o  116.957   12.532  174.289   36.031  205.353   48.076  134.479   54.424  126.437   15.555  100.453   22.280 25.98428 27.17214 
1 1 1  -17   15   12 o  160.478   14.296  327.873   56.691  347.198   98.734  318.369   69.242  162.070   25.215  157.244   17.956 4.825714 30.95518 
1 1 1  -17   15   13 o  144.591   14.596  266.848   51.981  309.101   57.257   68.766  123.973  155.651   14.913   91.009   36.274 64.64188 39.22021 
1 1 1  -17   15   14 o  165.611   11.607  346.774   47.700  346.693   64.318  346.874   71.108  164.716   15.832  164.320   17.603 0.3954163 23.67516 
1 1 1  -17   15   15 o  136.312   12.043  235.722   40.571  229.358   54.162  243.859   61.239  133.495   16.606  137.286   18.320 -3.790375 24.72620 
1 1 1  -17   15   16 o  257.969   12.065  837.918   77.722  873.787  106.767  797.481  113.361  262.018   16.400  249.683   18.309 12.33583 24.58006 
1 1 1  -17   15   17 o  188.549   11.534  448.947   54.045  441.731   72.850  457.779   80.597  186.100   15.826  189.105   17.257 -3.005096 23.41559 
1 1 1  -17   15   18 o  231.902   11.566  676.725   66.982  637.409   91.151  722.877   98.758  223.609   16.439  238.122   16.714 -14.51303 23.44374 
1 1 1  -17   15   19 o  334.747   12.258  1411.53  102.471  1314.10  141.208  1519.91  148.932  321.006   17.684  345.874   17.243 -24.86823 24.69905 
1 1 1  -17   15   20 o  129.427   12.596  213.085   40.195  225.836   54.288  197.615   59.800  132.369   16.802  122.817   20.201 9.551300 26.27505 
1 1 1  -17   15   21 o  293.537   11.881  1085.17   87.088  1080.02  120.443  1090.81  126.073  291.190   16.633  292.396   17.344 -1.205505 24.03015 
1 1 1  -17   15   22 o   95.421   14.858  117.891   34.251   95.363   45.135  148.479   52.593   84.567   21.365  105.934   20.623 -21.36681 29.69479 
1 1 1  -17   15   23 o  121.569   13.086  188.695   39.101  201.641   52.216  172.167   58.998  124.760   17.219  113.971   21.518 10.78860 27.55973 
1 1 1  -17   15   24 o  119.413   13.137  182.269   38.527  163.174   50.874  207.947   58.994  111.499   18.950  126.079   19.356 -14.57993 27.08800 
1 1 1  -17   15   25 o  157.796   11.602  315.636   45.395  294.322   61.062  341.972   67.875  151.191   16.438  162.954   16.927 -11.76372 23.59505 
1 1 1  -17   15   26 o  329.106   13.277  1371.42  109.116  1424.79  152.961  1316.12  155.703  332.821   18.477  319.241   19.626 13.58026 26.95527 
1 1 1  -17   15   27 o  265.576   12.156  891.907   80.617  891.511  111.868  892.335  116.280  263.383   17.101  263.196   17.796 0.1867065 24.68117 
1 1 1  -17   15   28 o  280.377   12.790  996.674   89.548  992.343  125.013  1001.24  128.332  277.099   18.167  278.124   18.585 -1.025055 25.98891 
1 1 1  -17   15   29 o  128.136   12.627  210.281   39.878  236.403   53.205  176.794   60.239  134.927   16.109  114.535   21.859 20.39272 27.15362 
1 1 1  -17   15   30 f  269.633   12.520  923.866   84.298  939.493  117.528  907.308  120.979  269.120   17.585  263.944   18.471 5.175964 25.50313 
1 1 1  -17   15   31 o   63.867   16.958   54.614   27.499   56.988   34.025   50.143   46.693   65.429   19.420   64.710   22.997 0.7191696 30.10000 
1 1 1  -17   15   32 o   44.479   17.358   16.760   27.859   19.425   28.518 -38.8973  130.344   45.943   17.663   72.105   32.847 -26.16260 37.29463 
1 1 1  -17   15   33 o   55.262   18.789   37.901   30.993   47.222   31.903 -118.6713  130.758   60.038   18.994   63.412   30.169 -3.374031 35.65052 
1 1 1  -17   15   34 o  149.885   12.619  289.508   46.793  280.822   63.021  300.180   69.857  145.459   17.716  149.748   19.117 -4.289261 26.06347 
1 1 1  -17   15   35 o  104.556   21.847  152.015   55.203   0.0000   0.0000  152.015   55.203  ?   ?   104.556   21.847 0.000000 21.84678 
1 1 1  -17   15   36 o  141.581   46.834  371.482  192.679  371.482  192.679   0.0000   0.0000  141.581   46.834  ?   ?  0.000000 46.83358 
1 1 1  -17   15   37 o   99.078   21.650  137.907   52.067  477.677  187.126  109.394   54.208  162.903   44.665   87.280   24.085 75.62378 50.74455 
1 1 1  -17   15   38 o  131.698   19.346  237.243   61.727  133.577  206.683  247.395   64.679  100.181   43.736  134.201   19.903 -34.01968 48.05205 
1 1 1  -17   15   39 o  146.516   18.820  293.264   67.265  422.182  227.865  280.958   70.402  137.146   50.520  142.348   20.388 -5.201477 54.47875 
1 1 1  -17   15   40 o  121.123   22.213  210.141   64.710  140.130  229.456  216.190   67.448   97.944   44.203  122.408   22.907 -24.46413 49.78566 
1 1 1  -17   16    1 o   91.950   15.354  110.224   34.011  117.989   43.913   98.583   53.768   94.247   19.308   85.684   24.112 8.563042 30.88949 
1 1 1  -17   16    2 o  143.582   11.792  261.775   41.906  265.598   54.967  256.468   64.759  143.759   15.560  140.278   18.973 3.481140 24.53764 
1 1 1  -17   16    3 o  124.410   12.677  197.455   38.835  206.410   50.806  184.869   60.230  126.330   16.499  118.141   21.194 8.189148 26.85897 
1 1 1  -17   16    4 o  190.188   11.192  457.158   52.921  499.770   71.209  404.586   79.094  198.097   14.496  177.105   18.140 20.99161 23.22014 
1 1 1  -17   16    5 o  353.472   12.919  1577.95  114.036  1492.05  157.694  1672.12  165.104  341.183   18.579  361.348   18.357 -20.16446 26.11826 
1 1 1  -17   16    6 o  185.625   10.998  435.213   50.754  472.270   68.129  388.999   76.081  192.661   14.262  173.818   17.778 18.84332 22.79195 
1 1 1  -17   16    7 o  123.123   12.518  193.148   37.952  160.740   49.475  239.483   59.158  110.815   18.533  135.978   17.853 -25.16293 25.73365 
1 1 1  -17   16    8 o  139.605   12.079  247.436   41.696  256.612   55.451  235.497   63.251  141.333   15.993  134.420   19.405 6.912689 25.14611 
1 1 1  -17   16    9 o  259.669   11.523  849.065   74.717  874.307  102.596  820.559  109.028  262.094   15.749  253.369   17.336 8.724915 23.42136 
1 1 1  -17   16   10 o  237.876   11.271  712.196   66.952  709.162   91.613  715.674   98.088  236.009   15.633  236.776   16.696 -0.7669220 22.87269 
1 1 1  -17   16   11 o  108.776   13.463  151.603   35.789  152.737   47.203  150.070   54.887  108.119   18.124  106.340   21.410 1.779526 28.05138 
1 1 1  -17   16   12 o  130.537   14.032  217.738   45.023  198.615   65.216  235.151   62.232  122.554   22.124  134.486   19.064 -11.93233 29.20453 
1 1 1  -17   16   13 o  189.109   11.392  451.687   53.547  438.845   71.312  468.289   81.079  185.479   15.540  191.208   17.163 -5.729080 23.15289 
1 1 1  -17   16   14 o   96.198   14.591  119.590   33.951  122.384   43.964  115.463   53.437   96.365   18.945   92.873   23.129 3.492096 29.89720 
1 1 1  -17   16   15 o  172.804   11.495  377.475   49.319  334.351   65.761  432.912   74.560  161.494   16.540  184.004   16.399 -22.50989 23.29121 
1 1 1  -17   16   16 o  235.189   12.025  698.524   70.387  730.214   96.575  662.616  102.802  239.380   16.252  227.372   18.260 12.00861 24.44465 
1 1 1  -17   16   17 o  323.212   13.021  1317.95  105.097  1275.88  145.232  1364.20  152.277  315.854   18.494  326.529   18.754 -10.67429 26.33862 
1 1 1  -17   16   18 f   95.952   14.296  118.856   33.209   99.979   43.239  146.003   51.854   86.702   20.325  105.086   20.496 -18.38425 28.86477 
1 1 1  -17   16   19 o  301.419   12.190  1144.99   91.756  1184.15  126.536  1101.57  133.251  304.870   16.684  293.429   18.276 11.44083 24.74584 
1 1 1  -17   16   20 o  303.176   12.052  1158.35   91.243  1083.93  125.931  1240.59  132.386  291.337   17.389  311.873   17.063 -20.53601 24.36245 
1 1 1  -17   16   21 o  434.465   14.289  2388.56  155.025  2310.31  216.237  2471.31  222.367  424.372   20.405  438.978   20.285 -14.60617 28.77229 
1 1 1  -17   16   22 o  221.776   11.482  621.255   63.373  600.077   86.639  645.626   92.939  216.745   16.122  224.686   16.683 -7.941238 23.20054 
1 1 1  -17   16   23 o  243.976   11.469  750.193   69.873  717.167   95.776  787.772  102.164  236.901   16.289  248.240   16.576 -11.33813 23.23984 
1 1 1  -17   16   24 o  112.223   13.712  161.737   37.627  176.774   49.825  141.779   57.401  116.395   17.700  102.651   22.967 13.74432 28.99582 
1 1 1  -17   16   25 o  138.386   12.443  243.971   42.539  230.469   56.995  260.953   63.917  133.153   17.570  141.522   18.531 -8.369095 25.53642 
1 1 1  -17   16   26 o  257.576   12.480  839.560   80.275  848.848  110.882  829.330  116.368  256.854   17.390  253.371   18.520 3.482498 25.40466 
1 1 1  -17   16   27 o  232.449   11.912  685.312   68.911  668.705   94.686  704.013  100.480  227.883   16.756  233.600   17.349 -5.716583 24.11970 
1 1 1  -17   16   28 o  263.709   12.275  881.578   80.835  909.677  112.336  851.404  116.408  265.542   17.031  256.220   18.314 9.322235 25.00924 
1 1 1  -17   16   29 o  132.683   12.328  225.319   40.380  231.064   53.208  217.518   62.009  133.180   16.341  127.836   20.087 5.343788 25.89446 
1 1 1  -17   16   30 o  428.138   15.377  2354.08  164.397  2370.88  232.092  2337.16  232.895  423.036   22.046  419.732   22.300 3.303925 31.35791 
1 1 1  -17   16   31 o  180.523   12.732  417.538   57.028  377.036   82.195  455.129   79.187  168.424   19.930  186.617   17.185 -18.19321 26.31586 
1 1 1  -17   16   32 o   61.194   19.094   49.297   32.353   40.909   33.283  193.123  137.820   57.309   19.471  112.605   39.562 -55.29622 44.09378 
1 1 1  -17   16   33 o   70.846   18.900   68.446   34.055   72.265   35.118   8.1658  139.517   72.726   19.094   79.456   35.259 -6.730621 40.09726 
1 1 1  -17   16   34 o  198.265   12.596  505.536   62.038  552.568   86.203  455.006   89.351  204.927   16.999  184.214   19.730 20.71272 26.04303 
1 1 1  -17   16   35 o   61.366   16.875   50.950   26.666   41.573   32.379   70.717   47.010   57.099   19.206   72.004   23.087 -14.90499 30.03090 
1 1 1  -17   16   36 o   98.949   21.627  137.081   51.947  263.323  175.995  125.034   54.369  121.745   44.467   93.732   23.322 28.01261 50.21167 
1 1 1  -17   16   37 o  204.920   17.574  559.853   89.058  299.153  218.538  611.769   97.523  123.601   48.508  213.572   18.467 -89.97103 51.90477 
1 1 1  -17   16   38 o  151.454   18.262  310.374   67.675  424.873  209.861  297.086   71.494  143.267   48.892  147.052   19.987 -3.785156 52.81924 
1 1 1  -17   16   39 o  199.015   17.582  533.657   86.479  973.829  245.469  471.283   92.404  231.181   44.130  184.675   20.376 46.50604 48.60692 
1 1 1  -17   16   40 o   84.999   24.285  107.442   54.117   58.375  226.254  110.419   55.735   89.971   41.805   85.985   24.670 3.985802 48.54150 
1 1 1  -17   17    1 o  118.593   13.354  180.481   38.859  192.126   49.895  162.527   61.952  121.462   16.909  109.623   23.346 11.83891 28.82615 
1 1 1  -17   17    2 o  247.527   16.860  786.523  103.595  699.105  132.406  924.495  166.344  230.427   23.332  263.972   25.555 -33.54492 34.60383 
1 1 1  -17   17    3 o  271.708   17.844  949.059  120.398  978.114  157.739  908.506  186.351  273.106   23.354  259.682   29.246 13.42413 37.42619 
1 1 1  -17   17    4 o  121.441   13.052  188.627   38.960  165.246   50.153  224.207   61.868  112.189   18.550  130.775   19.544 -18.58599 26.94604 
1 1 1  -17   17    5 o  258.329   11.562  841.610   74.589  853.602  101.415  827.479  110.087  258.602   15.780  253.980   17.464 4.622696 23.53681 
1 1 1  -17   17    6 o  160.066   11.567  324.665   45.924  333.064   60.856  313.554   69.992  161.264   15.295  155.562   18.372 5.702057 23.90521 
1 1 1  -17   17    7 o  176.400   11.357  393.685   49.764  396.497   66.402  390.083   75.162  176.115   15.249  174.028   17.534 2.087143 23.23740 
1 1 1  -17   17    8 o  114.150   13.355  166.883   37.349  141.660   48.438  203.870   58.656  103.582   19.440  124.772   19.460 -21.18983 27.50674 
1 1 1  -17   17    9 o  211.224   11.087  563.292   58.275  520.436   78.496  615.915   86.983  201.876   15.694  219.629   15.969 -17.75269 22.39006 
1 1 1  -17   17   10 o  138.687   12.138  244.352   41.615  245.680   55.102  242.591   63.489  138.132   16.288  136.471   19.158 1.661118 25.14551 
1 1 1  -17   17   11 o  237.000   17.127  718.591  100.679   0.0000   0.0000  718.591  100.679  ?   ?   237.000   17.127 0.000000 17.12677 
1 1 1  -17   17   12 o  266.733   15.789  906.019  104.701  906.019  104.701   0.0000   0.0000  266.733   15.789  ?   ?  0.000000 15.78931 
1 1 1  -17   17   13 o  334.302   12.886  1410.67  107.578  1320.81  148.582  1509.68  155.962  321.098   18.610  343.521   18.246 -22.42227 26.06258 
1 1 1  -17   17   14 o  218.062   11.009  599.928   59.755  550.811   80.323  660.803   89.421  207.827   15.591  227.666   15.827 -19.83858 22.21622 
1 1 1  -17   17   15 o  167.206   11.536  353.751   47.874  381.614   63.567  317.237   72.770  172.967   14.861  156.490   19.012 16.47696 24.13123 
1 1 1  -17   17   16 o  299.167   12.495  1128.96   93.343  1088.52  128.284  1174.46  136.076  291.776   17.690  302.961   18.069 -11.18497 25.28656 
1 1 1  -17   17   17 o  483.329   16.188  2967.33  195.378  2878.55  273.049  3060.47  279.682  471.848   23.173  486.643   23.015 -14.79529 32.65997 
1 1 1  -17   17   18 o  321.921   12.541  1307.56  100.820  1140.84  138.150  1497.54  147.468  298.288   18.640  342.500   17.298 -44.21201 25.42978 
1 1 1  -17   17   19 o  279.820   12.426  987.905   86.826  986.109  119.255  989.930  126.660  277.720   17.281  277.842   18.359 -0.1227417 25.21290 
1 1 1  -17   17   20 o  370.175   13.599  1732.96  125.711  1679.89  174.076  1790.80  181.735  361.644   19.346  373.305   19.563 -11.66141 27.51312 
1 1 1  -17   17   21 o  420.984   14.776  2247.51  155.338  2221.19  216.385  2275.50  223.132  414.811   20.957  419.595   21.366 -4.783752 29.92837 
1 1 1  -17   17   22 o  139.578   12.577  248.039   43.367  254.658   58.089  239.704   65.184  140.379   16.911  135.266   19.891 5.112595 26.10847 
1 1 1  -17   17   23 o  415.904   14.442  2195.01  149.993  2178.59  209.177  2212.39  215.195  411.089   20.376  413.452   20.911 -2.363495 29.19687 
1 1 1  -17   17   24 o  134.497   12.882  230.973   42.738  252.948   57.115  203.014   64.425  139.806   16.689  123.517   21.678 16.28895 27.35812 
1 1 1  -17   17   25 o  340.418   13.031  1468.64  110.779  1408.84  153.407  1533.81  160.139  330.378   18.671  344.760   18.670 -14.38162 26.40421 
1 1 1  -17   17   26 o  134.312   12.606  230.541   41.786  224.958   55.395  237.912   63.650  131.345   17.311  134.388   19.539 -3.043289 26.10436 
1 1 1  -17   17   27 o  121.152   13.108  188.520   39.025  173.527   51.325  209.068   60.084  114.586   18.573  125.572   19.818 -10.98534 27.16082 
1 1 1  -17   17   28 o  152.612   12.080  297.218   45.662  308.162   60.943  283.210   68.946  154.166   16.066  146.529   19.313 7.636765 25.12188 
1 1 1  -17   17   29 o  125.540   12.928  202.685   39.950  192.786   52.585  216.197   61.436  120.790   17.982  127.277   19.988 -6.486900 26.88642 
1 1 1  -17   17   30 o  338.018   13.429  1459.99  113.356  1479.37  158.775  1439.84  161.890  335.967   19.003  330.867   19.682 5.100220 27.35884 
1 1 1  -17   17   31 o  169.865   12.776  370.470   53.796  319.193   75.827  422.435   76.335  154.471   20.136  179.499   17.242 -25.02753 26.50953 
1 1 1  -17   17   32 o   76.964   18.918   80.875   36.102   64.204   37.220  345.860  148.390   68.823   20.281  147.021   39.552 -78.19772 44.44910 
1 1 1  -17   17   33 f  154.702   15.228  312.658   58.066  280.333   61.935  547.403  166.903  145.437   17.399  188.065   36.857 -42.62726 40.75723 
1 1 1  -17   17   34 o  251.887   13.954  820.881   87.428  796.154  132.295  840.053  116.491  241.781   22.158  251.392   18.690 -9.610703 28.98760 
1 1 1  -17   17   35 o   40.724   15.957   13.938   23.615   12.842   27.347   17.153   46.826   42.302   16.976   52.912   21.845 -10.61000 27.66554 
1 1 1  -17   17   36 o   76.571   15.801   79.209   29.212   63.395   36.264  108.438   49.300   67.874   20.024   87.435   22.461 -19.56088 30.09044 
1 1 1  -17   17   37 o  167.816   17.506  377.054   72.281  486.320  198.716  360.393   77.596  159.606   46.813  162.761   19.478 -3.155441 50.70407 
1 1 1  -17   17   38 o  112.616   21.263  178.430   57.605   87.576  200.398  186.613   60.143   93.404   41.799  114.943   21.750 -21.53891 47.11911 
1 1 1  -17   17   39 o   69.832   23.794   67.825   49.706  359.734  212.564   50.940   51.123  127.312   48.394   63.964   23.858 63.34816 53.95561 
1 1 1  -17   18    1 o   30.653   14.316 -25.2384   27.079   3.5246   33.603 -78.5103   45.731   43.046   18.187   34.245   16.672 8.801376 24.67221 
1 1 1  -17   18    2 o  170.208   11.735  368.183   49.572  434.301   65.615  280.260   75.665  184.152   14.383  145.269   21.508 38.88235 25.87362 
1 1 1  -17   18    3 o   78.814   17.442   82.675   33.421   73.604   42.361   97.629   54.391   74.334   21.560   84.992   24.367 -10.65785 32.53623 
1 1 1  -17   18    4 o  188.039   13.872  451.239   64.680  473.930   73.028  368.656  139.318  192.280   15.337  160.548   35.676 31.73216 38.83264 
1 1 1  -17   18    5 o  109.882   21.032  161.066   55.608  145.167   63.430  213.869  115.593  103.210   24.898  122.635   35.629 -19.42497 43.46613 
1 1 1  -17   18    6 o  146.122   18.195  277.629   64.955  266.712   75.826  307.725  125.899  141.867   22.125  147.284   34.786 -5.416916 41.22595 
1 1 1  -17   18    7 o  256.370   11.778  829.674   75.402  835.602  102.332  822.632  111.531  255.601   16.115  252.957   17.769 2.644730 23.98808 
1 1 1  -17   18    8 o  174.421   11.434  385.289   49.527  356.085   65.682  423.778   75.405  166.516   15.992  181.527   16.826 -15.01091 23.21338 
1 1 1  -17   18    9 o  143.955   12.196  263.464   43.430  261.188   57.198  266.564   66.738  142.310   16.395  142.973   19.176 -0.6631012 25.22917 
1 1 1  -17   18   10 o  219.481   13.935  612.499   75.978  608.941  128.157  614.427   94.346  214.986   24.298  218.732   17.417 -3.745956 29.89563 
1 1 1  -17   18   11 o  152.291   14.819  296.877   55.644  301.131   61.395  277.306  131.682  152.996   16.321  139.594   37.129 13.40112 40.55819 
1 1 1  -17   18   12 o  229.230   11.594  664.125   66.150  643.926   89.135  688.889   98.695  224.482   16.006  231.830   17.170 -7.347610 23.47320 
1 1 1  -17   18   13 o  415.779   14.199  2189.78  147.424  2078.28  204.655  2310.04  212.547  401.493   20.480  424.028   20.073 -22.53470 28.67703 
1 1 1  -17   18   14 o  198.423   11.203  497.546   55.283  454.001   73.810  553.191   83.437  188.371   15.838  207.949   16.195 -19.57849 22.65240 
1 1 1  -17   18   15 o  128.272   13.018  209.984   41.121  192.627   54.178  233.573   63.159  121.466   18.441  133.685   19.493 -12.21869 26.83331 
1 1 1  -17   18   16 o  309.701   12.109  1210.20   93.651  1143.89  127.175  1288.76  138.425  299.096   17.098  317.335   17.536 -18.23923 24.49207 
1 1 1  -17   18   17 o  338.885   13.203  1452.03  111.732  1480.23  154.358  1421.00  161.941  339.779   18.259  332.228   19.606 7.551208 26.79185 
1 1 1  -17   18   18 o  264.136   11.839  880.081   78.089  833.234  106.033  935.603  115.434  255.205   16.730  270.310   17.190 -15.10425 23.98781 
1 1 1  -17   18   19 o  163.258   11.913  338.053   48.232  326.943   64.037  352.619   73.324  159.456   16.312  165.133   18.076 -5.677261 24.34801 
1 1 1  -17   18   20 o  299.236   12.490  1131.42   93.328  1113.84  128.274  1151.19  136.038  294.741   17.507  299.304   18.289 -4.562744 25.31728 
1 1 1  -17   18   21 o  195.053   12.061  482.295   58.459  468.063   78.643  499.871   87.395  190.842   16.669  196.819   17.980 -5.976776 24.51833 
1 1 1  -17   18   22 o  236.700   11.908  709.496   70.164  582.895   94.271  866.722  105.056  212.554   17.928  260.159   16.252 -47.60460 24.19806 
1 1 1  -17   18   23 o  212.634   11.931  573.260   63.098  549.599   85.446  601.636   93.575  206.682   16.698  215.995   17.499 -9.313354 24.18756 
1 1 1  -17   18   24 o  269.417   12.094  918.503   81.366  950.804  112.205  882.680  118.163  272.057   16.595  261.342   18.220 10.71469 24.64481 
1 1 1  -17   18   25 o  269.689   12.210  921.359   82.227  914.500  112.485  929.229  120.500  266.402   16.997  267.987   18.113 -1.585297 24.83887 
1 1 1  -17   18   26 o   96.794   14.824  122.206   34.689  106.501   44.791  145.747   54.836   88.747   20.606  103.736   21.858 -14.98915 30.03982 
1 1 1  -17   18   27 o   94.813   14.654  117.410   33.578  101.819   43.018  141.720   53.716   86.712   20.236  102.144   21.727 -15.43201 29.69092 
1 1 1  -17   18   28 o  103.790   13.971  139.934   35.291   99.394   45.192  203.295   56.498   85.318   21.282  123.750   18.880 -38.43137 28.44990 
1 1 1  -17   18   29 o  175.946   11.881  395.290   51.897  329.703   70.087  474.905   77.219  158.295   18.053  191.119   16.337 -32.82468 24.34760 
1 1 1  -17   18   30 o  241.067   13.901  747.494   83.330  763.549  126.881  735.315  110.503  238.900   21.498  236.200   18.893 2.699432 28.62023 
1 1 1  -17   18   31 o  107.585   18.355  155.397   47.543  154.962   50.056  159.403  151.963  106.997   19.451  105.721   40.739 1.276451 45.14446 
1 1 1  -17   18   32 f  143.911   17.207  274.099   60.610  269.108   65.453  304.130  160.548  141.743   18.967  134.437   42.618 7.305969 46.64834 
1 1 1  -17   18   33 o  149.463   32.650  337.619  118.451  292.331  163.351  387.838  172.015  130.452   43.121  150.150   43.417 -19.69872 61.19151 
1 1 1  -17   18   34 o  180.223   17.245  430.277   76.665  430.277   76.665   0.0000   0.0000  180.223   17.245  ?   ?  0.000000 17.24541 
1 1 1  -17   18   35 o   73.557   16.736   73.673   30.049   82.725   37.065   56.314   51.325   77.296   19.270   66.859   24.074 10.43758 30.83621 
1 1 1  -17   18   36 o   59.023   17.187   47.180   26.872   44.663   32.599   52.516   47.469   58.366   19.262   64.513   23.160 -6.147282 30.12293 
1 1 1  -17   18   37 o  113.544   13.921  169.821   38.645  203.352   50.465  122.278   60.092  122.982   16.878   91.180   25.431 31.80180 30.52229 
1 1 1  -17   18   38 o   79.718   23.980   92.299   51.623  121.989  191.305   89.968   53.612   95.747   41.932   78.737   24.582 17.01034 48.60582 
1 1 1  -17   18   39 o   75.758   24.125   83.408   51.400  159.725  209.451   78.518   53.021   99.138   43.634   73.904   24.573 25.23412 50.07801 
1 1 1  -17   19    1 o   85.296   16.339   96.668   33.536  106.084   42.675   81.464   54.228   88.468   19.810   77.944   24.775 10.52364 31.72132 
1 1 1  -17   19    2 o  160.659   11.731  329.014   46.738  328.127   61.183  330.257   72.425  159.211   15.589  158.550   18.649 0.6607971 24.30622 
1 1 1  -17   19    3 o  148.198   12.341  280.549   45.257  330.648   59.072  209.355   70.419  160.171   14.941  124.076   23.590 36.09441 27.92355 
1 1 1  -17   19    4 f  192.958   11.682  473.017   56.027  533.956   74.501  393.691   85.001  204.055   14.719  173.044   20.042 31.01031 24.86613 
1 1 1  -17   19    5 o  291.061   12.364  1073.54   89.869  1117.57  122.812  1022.80  131.858  294.728   16.756  280.781   18.916 13.94727 25.26988 
1 1 1  -17   19    6 o  151.109   12.082  290.765   45.210  309.772   58.838  263.367   70.642  155.087   15.396  141.139   20.654 13.94838 25.76127 
1 1 1  -17   19    7 o  113.204   16.788  167.336   46.020  165.679   49.858  176.867  119.596  112.145   18.445  112.488   36.883 -0.3429184 41.23761 
1 1 1  -17   19    8 o  160.963   17.961  336.376   70.965  335.860   83.848  337.677  133.235  159.511   21.606  153.610   35.453 5.901291 41.51802 
1 1 1  -17   19    9 o  313.662   18.188  1267.00  141.854  1143.39  184.517  1445.63  221.816  293.701   25.409  329.077   27.237 -35.37665 37.24879 
1 1 1  -17   19   10 o  255.263   13.833  828.893   87.846  800.938  139.301  847.351  113.191  247.025   22.841  256.573   17.776 -9.547379 28.94269 
1 1 1  -17   19   11 o  243.664   13.205  754.047   80.052  706.213   98.210  848.743  138.184  234.528   16.882  254.905   21.922 -20.37704 27.66882 
1 1 1  -17   19   12 o  253.830   11.679  813.367   74.030  781.971  100.071  851.318  110.023  247.100   16.309  257.507   17.209 -10.40738 23.70939 
1 1 1  -17   19   13 o  190.823   11.597  461.206   54.998  443.014   73.464  484.402   82.956  185.820   15.987  193.929   17.312 -8.108978 23.56483 
1 1 1  -17   19   14 o  132.656   12.577  224.416   41.165  237.529   53.946  206.134   63.695  135.595   16.256  124.711   21.212 10.88339 26.72464 
1 1 1  -17   19   15 f  392.334   13.986  1951.97  137.025  1863.17  189.546  2049.17  198.316  379.751   20.059  398.842   19.912 -19.09070 28.26364 
1 1 1  -17   19   16 o  131.161   12.899  219.673   41.702  158.817   54.287  307.279   65.135  109.288   20.648  154.165   17.213 -44.87714 26.88194 
1 1 1  -17   19   17 o  120.198   13.883  185.520   40.904  170.766   53.081  207.088   64.181  113.784   19.376  124.939   21.337 -11.15498 28.82186 
1 1 1  -17   19   18 o  196.352   11.556  488.304   56.414  401.299   74.645  604.196   86.150  176.378   17.165  217.150   16.000 -40.77122 23.46550 
1 1 1  -17   19   19 o  275.621   12.206  960.404   84.008  933.811  114.137  991.842  124.099  269.706   17.034  277.551   18.002 -7.845337 24.78391 
1 1 1  -17   19   20 o  225.712   12.127  645.995   68.102  657.022   92.041  632.654  101.235  226.218   16.405  221.139   18.502 5.079346 24.72740 
1 1 1  -17   19   21 o  241.001   12.351  736.974   74.079  746.959  100.812  725.254  109.218  240.990   16.858  236.686   18.629 4.303650 25.12460 
1 1 1  -17   19   22 o  213.286   11.776  577.040   62.477  549.498   83.977  611.182   93.499  206.596   16.413  217.569   17.353 -10.97366 23.88554 
1 1 1  -17   19   23 o  200.743   12.075  512.092   60.252  505.252   80.947  520.590   90.224  197.897   16.531  200.208   18.247 -2.310486 24.62162 
1 1 1  -17   19   24 o  345.999   13.091  1521.15  113.113  1489.22  155.509  1557.02  164.831  339.023   18.438  346.190   19.141 -7.166809 26.57689 
1 1 1  -17   19   25 o  230.503   12.226  675.993   70.121  644.568   94.891  713.797  104.078  223.059   17.167  234.422   17.915 -11.36374 24.81243 
1 1 1  -17   19   26 o  202.755   11.898  523.396   59.975  498.297   81.093  553.701   89.108  195.978   16.730  206.318   17.459 -10.33992 24.18112 
1 1 1  -17   19   27 o   87.960   15.730  102.282   33.283  104.735   42.663   98.467   53.204   87.853   19.907   84.572   24.050 3.281227 31.22038 
1 1 1  -17   19   28 o  221.343   12.073  625.247   66.482  617.511   90.622  634.261   97.830  217.789   16.792  220.102   17.956 -2.313354 24.58423 
1 1 1  -17   19   29 o  114.644   14.327  171.245   40.121  164.609   53.662  179.655   60.416  110.194   20.247  114.524   21.924 -4.330322 29.84295 
1 1 1  -17   19   30 o  104.406   18.914  147.183   47.497  152.728   49.998   95.895  152.071  106.134   19.586   94.693   39.252 11.44090 43.86745 
1 1 1  -17   19   31 o   78.825   19.485   85.360   38.135   74.655   39.339  252.360  155.379   73.675   20.586  123.476   42.069 -49.80017 46.83623 
1 1 1  -17   19   32 o   72.263   20.103   71.890   37.600   69.778   38.709  107.164  158.200   71.254   20.594   95.826   39.904 -24.57143 44.90485 
1 1 1  -17   19   33 o  107.285   14.526  151.485   37.916  142.738   49.590  163.794   58.828  101.785   20.223  108.114   22.521 -6.328323 30.26783 
1 1 1  -17   19   34 o  135.712   13.439  239.784   44.944  248.243   59.101  228.184   69.210  136.077   17.821  127.883   22.494 8.194199 28.69742 
1 1 1  -17   19   35 o  111.216   14.124  162.734   38.341  163.955   49.489  160.901   60.639  109.619   18.753  106.194   23.489 3.425819 30.05694 
1 1 1  -17   19   36 o  127.320   13.305  211.922   41.676  203.341   54.340  224.178   64.947  122.297   18.360  126.861   21.253 -4.563950 28.08504 
1 1 1  -17   19   37 o   95.128   15.446  121.573   35.435  147.221   45.037   79.897   57.410  103.655   18.055   75.251   25.572 28.40359 31.30396 
1 1 1  -17   19   38 o   66.826   17.447   62.030   29.428   58.091   35.195   71.182   53.648   64.648   19.873   71.433   24.706 -6.785004 31.70722 
1 1 1  -17   19   39 o   78.534   24.634   91.290   53.768   57.388  208.630   93.702   55.648   87.928   40.605   79.388   25.083 8.539375 47.72768 
1 1 1  -17   20    1 o   77.526   21.101   82.715   41.945  140.473   58.103   19.857   60.614  100.184   23.611   59.442   24.722 40.74205 34.18591 
1 1 1  -17   20    2 o   71.517   18.126   69.269   32.414   74.742   41.309   60.501   52.287   74.049   21.237   69.487   24.370 4.562355 32.32525 
1 1 1  -17   20    3 o  100.220   15.095  131.725   36.607  159.812   46.845   87.672   58.667  109.696   17.704   80.466   25.790 29.22984 31.28157 
1 1 1  -17   20    4 o  254.301   12.082  821.951   76.723  883.264  103.493  747.141  114.318  261.483   15.925  238.504   19.361 22.97878 25.06936 
1 1 1  -17   20    5 o  112.443   14.015  163.781   38.499  164.679   49.292  162.377   61.648  111.381   18.362  108.794   23.387 2.586823 29.73426 
1 1 1  -17   20    6 o  159.344   11.964  323.781   47.259  344.546   61.773  294.478   73.384  163.339   15.324  149.051   20.239 14.28775 25.38599 
1 1 1  -17   20    7 o   54.170   18.885   34.558   31.375   44.326   39.574   18.026   51.482   60.857   21.210   56.113   23.005 4.744587 31.29040 
1 1 1  -17   20    8 o   84.315   16.965   94.407   34.482   95.533   43.753   92.562   56.020   84.009   20.932   82.816   24.995 1.193329 32.60251 
1 1 1  -17   20    9 f  258.741   18.044  866.664  115.858   0.0000   0.0000  866.664  115.858  ?   ?   258.741   18.044 0.000000 18.04424 
1 1 1  -17   20   10 o  204.008   15.721  534.982   79.473  534.982   79.473   0.0000   0.0000  204.008   15.721  ?   ?  0.000000 15.72112 
1 1 1  -17   20   11 f   78.470   22.691   82.610   46.983   82.852   51.459   81.398  115.175   78.856   23.991   89.547   35.192 -10.69100 42.59209 
1 1 1  -17   20   12 o   86.002   22.264  100.148   48.189   77.190   52.407  225.801  122.604   76.743   24.351  124.939   36.807 -48.19584 44.13326 
1 1 1  -17   20   13 o  161.391   17.955  338.595   71.138  354.617   82.499  292.144  140.471  164.230   20.567  140.953   38.720 23.27747 43.84303 
1 1 1  -17   20   14 o  175.568   17.562  399.310   75.963  390.098   88.235  425.694  149.316  172.219   20.948  172.347   35.861 -0.1280670 41.53132 
1 1 1  -17   20   15 o  275.957   14.255  970.948   97.898  1007.52  155.972  947.175  125.756  276.767   22.769  270.530   18.730 6.237549 29.48321 
1 1 1  -17   20   16 o  219.152   11.882  609.165   64.782  579.551   86.766  646.467   97.381  212.210   16.503  223.758   17.569 -11.54745 24.10445 
1 1 1  -17   20   17 o  164.122   12.408  342.990   50.478  328.172   66.460  363.194   77.602  159.172   16.982  166.822   18.965 -7.649826 25.45737 
1 1 1  -17   20   18 o  107.080   14.820  148.716   38.567  145.027   50.094  154.084   60.434  104.249   19.969  106.492   23.367 -2.243080 30.73774 
1 1 1  -17   20   19 o  265.217   11.786  890.038   78.061  861.694  105.759  923.961  115.700  258.864   16.446  267.627   17.407 -8.762634 23.94711 
1 1 1  -17   20   20 f  241.814   12.381  743.045   74.515  725.311  101.090  764.145  110.267  236.999   17.198  242.756   18.325 -5.756943 25.13099 
1 1 1  -17   20   21 o  161.534   11.931  332.260   47.786  254.743   62.069  445.073   74.879  139.414   18.268  185.631   16.319 -46.21739 24.49566 
1 1 1  -17   20   22 o   99.323   15.066  128.767   36.195  130.620   46.307  125.856   58.029   98.757   19.469   95.660   24.257 3.096581 31.10418 
1 1 1  -17   20   23 o  117.607   13.923  178.688   40.095  176.798   51.739  181.531   63.441  115.527   18.563  115.558   22.794 -0.3106689E-01 29.39653 
1 1 1  -17   20   24 o  243.667   12.139  754.028   73.866  695.448   99.766  825.102  109.892  231.389   17.393  252.038   17.570 -20.64900 24.72303 
1 1 1  -17   20   25 o  182.068   12.284  423.331   55.524  385.719   74.214  471.151   83.682  171.765   17.549  189.845   17.862 -18.07938 25.03966 
1 1 1  -17   20   26 o   47.730   17.770   23.507   28.337   7.4272   35.511   51.694   47.017   45.156   18.863   65.292   23.091 -20.13614 29.81618 
1 1 1  -17   20   27 o  119.346   14.400  185.300   42.048  174.489   56.785  198.424   62.565  113.383   20.823  120.779   21.534 -7.395706 29.95482 
1 1 1  -17   20   28 o  326.160   19.666  1407.52  159.423  1340.13  198.965  1528.37  266.453  312.061   25.763  323.472   33.470 -11.41116 42.23712 
1 1 1  -17   20   29 o  121.242   18.494  196.896   54.222  190.294   57.342  252.657  166.641  118.452   20.104  123.615   43.497 -5.162903 47.91875 
1 1 1  -17   20   30 o  114.731   18.445  177.076   51.056  169.406   53.651  250.667  166.185  111.491   20.005  122.254   43.392 -10.76309 47.78197 
1 1 1  -17   20   31 o   95.119   18.437  123.011   42.213  114.533   43.721  239.605  162.127   91.211   19.766  119.278   42.804 -28.06682 47.14688 
1 1 1  -17   20   32 o   63.803   23.166   49.566   47.664  113.597  146.048   41.933   50.425   94.738   38.784   61.861   23.557 32.87694 45.37749 
1 1 1  -17   20   33 o  113.393   18.153  173.873   49.667  173.873   49.667   0.0000   0.0000  113.393   18.153  ?   ?  0.000000 18.15262 
1 1 1  -17   20   34 f   95.448   15.034  121.270   34.648  142.507   43.896   86.170   56.433  102.466   17.801   78.138   25.320 24.32767 30.95142 
1 1 1  -17   20   35 o  120.423   13.615  190.141   40.225  196.251   52.377  181.356   62.805  120.332   17.982  112.861   23.063 7.471161 29.24477 
1 1 1  -17   20   36 o   93.019   15.084  115.908   33.838   95.285   42.121  153.439   56.824   82.067   20.588  103.531   22.612 -21.46417 30.58072 
1 1 1  -17   20   37 o  107.414   14.079  153.006   36.856  145.619   46.603  165.340   60.221  102.461   18.911  106.828   23.236 -4.366470 29.95845 
1 1 1  -17   20   38 o  206.253   13.257  557.038   67.919  618.013   92.741  486.505   99.746  213.664   17.536  185.445   21.966 28.21861 28.10742 
1 1 1  -17   21    1 o   51.574   18.389   31.464   29.879   26.757   37.119   40.128   50.358   52.166   20.126   61.212   23.487 -9.045788 30.92980 
1 1 1  -17   21    2 o   61.757   18.754   51.144   31.465   59.048   39.627   37.657   51.760   66.381   21.187   61.051   23.706 5.330658 31.79413 
1 1 1  -17   21    3 o   65.447   21.357   56.450   40.118   71.697   56.444   40.884   57.031   73.765   25.351   63.809   24.854 9.956238 35.50212 
1 1 1  -17   21    4 o  182.490   15.533  433.545   70.110  484.059   99.242  383.216   99.060  189.609   21.330  166.556   24.554 23.05371 32.52449 
1 1 1  -17   21    5 o   77.751   17.711   81.713   33.619   78.313   42.332   87.519   55.323   75.648   21.432   79.910   24.975 -4.262299 32.91017 
1 1 1  -17   21    6 o  140.400   12.561  253.199   43.576  251.885   56.084  255.201   69.218  138.646   16.524  137.773   20.764 0.8735657 26.53639 
1 1 1  -17   21    7 o   44.001   17.830   11.946   30.483  -0.9131   38.431   33.761   50.057   44.268   19.094   59.952   23.303 -15.68431 30.12699 
1 1 1  -17   21    8 o  186.354   14.459  447.212   66.760  464.646  107.841  436.379   85.006  185.333   23.855  182.106   18.971 3.226929 30.47914 
1 1 1  -17   21    9 o  184.580   14.291  438.110   65.358  477.061   72.356  265.460  152.336  192.300   15.191  131.022   41.512 61.27834 44.20403 
1 1 1  -17   21   10 o   37.721   16.485  -4.8640   29.430  -7.5489   36.088   0.4672   50.852   41.186   18.120   51.095   22.002 -9.909046 28.50304 
1 1 1  -17   21   11 o   53.354   18.904   32.814   31.527   40.847   39.322   18.357   52.753   59.270   21.100   56.636   23.262 2.633492 31.40560 
1 1 1  -17   21   12 o  156.932   12.018  314.129   46.737  334.698   61.196  285.336   72.402  160.953   15.414  146.678   20.312 14.27473 25.49840 
1 1 1  -17   21   13 o  215.736   11.587  591.220   62.192  592.687   82.757  589.316   94.271  214.552   15.552  212.904   17.897 1.648056 23.71024 
1 1 1  -17   21   14 o   81.765   17.269   89.172   34.153   61.701   41.923  143.387   58.894   68.752   21.776  102.287   23.545 -33.53484 32.07114 
1 1 1  -17   21   15 o  130.924   15.986  222.852   51.181  233.456   54.966  153.717  140.347  133.768   16.827  107.293   39.626 26.47510 43.05095 
1 1 1  -17   21   16 o   78.955   22.596   84.330   46.810   79.716   50.088  116.168  131.570   77.212   23.704   98.583   37.930 -21.37129 44.72766 
1 1 1  -17   21   17 o  260.150   17.705  877.329  114.338  773.875  137.374  1110.58  206.271  241.172   23.092  284.033   29.513 -42.86124 37.47333 
1 1 1  -17   21   18 o  177.777   18.452  413.196   80.721  442.105   91.969  316.224  168.443  183.030   20.473  142.467   43.420 40.56212 48.00400 
1 1 1  -17   21   19 o   73.665   22.074   72.629   43.807   58.006   46.052  211.745  142.039   67.836   22.904  119.659   40.226 -51.82301 46.28940 
1 1 1  -17   21   20 o  225.975   17.644  663.822   98.776  637.846  116.632  729.712  185.755  219.374   21.569  225.766   34.003 -6.392426 40.26700 
1 1 1  -17   21   21 o  112.878   19.850  170.652   53.911  162.668   57.855  223.284  148.548  109.390   21.943  121.722   41.136 -12.33183 46.62243 
1 1 1  -17   21   22 o  118.816   19.038  187.963   54.580  158.521   57.986  416.734  161.637  107.738   22.288  164.867   39.729 -57.12914 45.55357 
1 1 1  -17   21   23 o  141.923   17.801  265.089   61.702  235.408   66.385  453.435  167.229  132.424   20.757  171.631   39.793 -39.20686 44.88116 
1 1 1  -17   21   24 o   79.073   21.695   85.637   44.131   99.889   46.146 -66.9303  150.979   85.253   21.639   74.571   34.474 10.68110 40.70253 
1 1 1  -17   21   25 o   60.379   20.847   44.992   38.188   36.745   39.372  175.882  156.853   57.308   21.017  110.204   41.648 -52.89618 46.65032 
1 1 1  -17   21   26 o   58.674   20.663   41.556   37.612   36.086   38.765  129.467  155.391   56.765   20.848  101.083   40.501 -44.31825 45.55241 
1 1 1  -17   21   27 o  172.132   17.603  390.926   74.601  367.047   81.789  509.142  181.979  165.350   20.230  177.081   41.821 -11.73026 46.45650 
1 1 1  -17   21   28 o  105.999   19.706  152.991   50.241  158.902   52.714   94.392  165.973  107.807   20.326   95.561   40.400 12.24661 45.22478 
1 1 1  -17   21   29 o  109.611   17.710  161.292   46.823  159.291   48.673  186.133  171.491  108.530   18.630  109.696   42.995 -1.166100 46.85764 
1 1 1  -17   21   30 o  186.291   12.034  446.140   55.685  348.220   72.468  587.306   87.011  161.428   18.300  211.201   16.633 -49.77278 24.72938 
1 1 1  -17   21   31 o   66.084   23.360   55.699   48.115   48.921  136.954   56.654   51.391   83.020   35.927   67.056   24.095 15.96345 43.25867 
1 1 1  -17   21   32 f  121.924   14.107  194.920   42.158  209.883   54.177  171.952   67.124  124.854   17.888  109.117   25.150 15.73725 30.86238 
1 1 1  -17   21   33 o  126.903   13.537  210.503   42.238  216.860   55.062  201.415   65.839  126.801   17.886  119.416   22.912 7.385330 29.06654 
1 1 1  -17   21   34 o   53.918   17.648   37.891   27.387   35.670   33.107   42.707   48.745   54.208   19.354   61.184   23.194 -6.975578 30.20860 
1 1 1  -17   21   35 o  104.791   14.497  145.783   36.921  142.944   47.199  150.260   59.263  101.539   19.320  101.809   23.746 -0.2697449 30.61284 
1 1 1  -17   21   36 o  120.294   13.668  190.710   40.329  173.066   51.252  219.398   65.352  111.871   19.027  124.486   21.818 -12.61495 28.94950 
1 1 1  -17   21   37 o  183.428   13.338  440.971   60.678  409.531   81.568  479.926   90.794  172.422   19.274  186.281   19.823 -13.85864 27.64816 
1 1 1  -17   21   38 o  199.261   13.498  522.329   66.769  552.406   90.373  486.180   99.077  200.861   18.216  184.862   21.887 15.99921 28.47549 
1 1 1  -17   22    1 o   76.065   17.601   79.983   32.769   92.672   41.154   58.000   54.166   80.968   20.371   67.276   24.654 13.69160 31.98149 
1 1 1  -17   22    2 o  126.975   12.860  210.135   40.213  210.942   51.184  208.833   65.001  125.448   16.758  121.844   22.180 3.604385 27.79903 
1 1 1  -17   22    3 o   47.768   18.118   23.352   29.754   14.890   37.080   38.654   49.861   47.823   19.556   60.389   23.318 -12.56579 30.43256 
1 1 1  -17   22    4 o   49.984   18.350   27.912   30.025   29.857   37.637   24.508   49.794   53.534   20.360   56.182   22.780 -2.648296 30.55253 
1 1 1  -17   22    5 o   64.530   19.177   56.395   33.163   49.315   40.648   70.489   57.353   62.302   21.508   73.169   25.531 -10.86667 33.38320 
1 1 1  -17   22    6 o   43.968   18.919   0.7789   37.546   19.983   54.151 -17.0017   52.105   56.831   23.479   47.215   21.208 9.616547 31.63942 
1 1 1  -17   22    7 o   54.489   20.727   30.279   39.007   26.897   58.805   32.937   52.127   60.495   24.670   59.947   23.638 0.5484238 34.16681 
1 1 1  -17   22    8 o   70.720   20.954   67.924   39.638   65.170   56.376   70.618   55.742   71.694   25.292   73.506   25.197 -1.811951 35.70134 
1 1 1  -17   22    9 o  164.304   12.733  346.802   51.837  362.934   63.280  313.894   90.379  167.069   15.339  150.529   24.915 16.53955 29.25795 
1 1 1  -17   22   10 o   41.087   17.135   6.1155   29.235 -17.4343   35.950   52.093   50.232   38.458   17.413   66.033   23.811 -27.57516 29.49898 
1 1 1  -17   22   11 o   58.893   18.781   44.911   31.143   24.181   38.605   83.536   52.697   52.315   20.429   78.357   24.356 -26.04156 31.78921 
1 1 1  -17   22   12 o   67.972   18.825   62.273   33.050   90.249   41.717   15.116   54.161   81.260   20.546   56.040   23.344 25.22007 31.09773 
1 1 1  -17   22   13 o  178.305   11.953  406.008   52.912  424.753   69.414  380.011   81.747  181.044   15.503  169.288   19.706 11.75607 25.07344 
1 1 1  -17   22   14 o  122.586   13.471  194.111   40.556  199.216   52.324  186.430   64.187  122.827   17.559  116.667   22.849 6.160431 28.81679 
1 1 1  -17   22   15 o   69.473   18.798   65.091   33.404   96.514   42.226   12.545   54.606   84.149   20.324   55.623   23.325 28.52535 30.93743 
1 1 1  -17   22   16 o   85.039   17.167   96.713   35.198   95.341   44.537   98.994   57.448   83.455   21.299   84.740   25.252 -1.285553 33.03552 
1 1 1  -17   22   17 o  276.661   12.063  973.397   83.338  970.570  112.011  976.902  124.727  273.678   16.466  273.360   18.378 0.3184204 24.67595 
1 1 1  -17   22   18 o   65.305   19.355   56.863   33.818   81.170   42.731   16.119   55.322   77.147   21.420   56.822   23.624 20.32439 31.88917 
1 1 1  -17   22   19 o  271.441   12.007  937.262   81.387  894.262  108.630  992.283  122.880  262.442   16.662  275.666   17.948 -13.22406 24.48986 
1 1 1  -17   22   20 o  191.244   12.273  467.596   58.301  418.806   75.859  537.998   91.124  178.940   17.188  202.448   18.220 -23.50804 25.04782 
1 1 1  -17   22   21 o  100.803   18.856  136.719   45.720  124.041   47.774  274.707  157.610   95.298   20.670  130.901   42.304 -35.60319 47.08379 
1 1 1  -17   22   22 o  149.925   15.791  293.295   58.230  273.177   62.099  439.803  167.579  143.873   17.655  166.704   40.626 -22.83102 44.29679 
1 1 1  -17   22   23 o   94.622   19.219  121.462   43.862  106.993   45.550  305.875  162.617   88.158   20.992  136.386   42.850 -48.22797 47.71566 
1 1 1  -17   22   24 o  137.714   16.485  249.517   55.565  248.787   58.873  255.473  168.141  137.028   17.613  124.618   43.702 12.41033 47.11798 
1 1 1  -17   22   25 o  126.086   16.984  210.643   52.115  224.355   54.758   78.834  169.774  130.054   17.289   94.240   40.383 35.81327 43.92805 
1 1 1  -17   22   26 o  125.648   13.624  205.252   42.062  186.692   52.551  238.340   70.168  117.858   18.462  131.600   22.138 -13.74127 28.82528 
1 1 1  -17   22   27 o   76.940   17.845   80.767   33.621   91.672   42.549   62.642   54.856   81.210   20.869   70.079   24.924 11.13065 32.50729 
1 1 1  -17   22   28 o   81.635   17.180   90.468   33.914   89.545   42.470   92.092   56.341   80.136   20.977   80.821   25.194 -0.6857300 32.78435 
1 1 1  -17   22   29 o   39.414   16.242   7.8545   25.825 -21.3765   30.555   80.963   48.321   33.752   15.570   76.096   23.269 -42.34356 27.99763 
1 1 1  -17   22   30 o   63.886   18.149   55.729   30.314   71.976   37.317   24.203   51.982   72.023   20.024   56.761   23.176 15.26264 30.62815 
1 1 1  -17   22   31 o  135.110   14.012  238.977   46.588  235.563   62.937  243.115   69.292  131.232   19.823  132.239   21.739 -1.007462 29.41974 
1 1 1  -17   22   32 o   96.681   15.261  124.779   35.622  135.483   44.586  105.886   59.234   99.363   18.654   85.318   25.691 14.04563 31.74929 
1 1 1  -17   22   33 o   89.153   16.075  107.396   34.471  105.247   43.020  111.251   57.614   86.551   20.262   87.228   25.099 -0.6768951 32.25702 
1 1 1  -17   22   34 o   54.120   17.819   38.321   27.905   64.719   33.693 -19.3355   49.795   68.153   19.055   44.982   20.418 23.17066 27.92815 
1 1 1  -17   22   35 o  134.090   13.721  236.629   45.298  258.341   59.488  206.667   69.882  137.940   17.677  119.026   24.332 18.91357 30.07522 
1 1 1  -17   22   36 o   71.597   17.326   71.343   30.642   75.027   37.029   63.340   54.576   72.693   19.843   68.575   24.805 4.118217 31.76531 
1 1 1  -17   22   37 f  114.870   14.281  176.007   40.081  153.309   50.430  214.931   66.041  103.937   20.157  121.838   22.536 -17.90134 30.23566 
1 1 1  -17   23    1 o   58.182   23.291   34.146   51.340   52.691   56.175 -59.8860  126.492   64.985   24.836   63.987   30.214 0.9975166 39.11142 
1 1 1  -17   23    2 o   49.165   18.378   27.108   30.369  -8.2783   37.615   93.356   51.467   40.897   18.219   79.667   23.939 -38.76949 30.08315 
1 1 1  -17   23    3 o   38.139   16.494  -0.1844   28.829 -16.0316   35.311   31.489   49.922   37.795   17.170   57.473   22.982 -19.67757 28.68756 
1 1 1  -17   23    4 o   40.481   17.006   6.0701   29.110   15.545   36.173 -11.3426   49.037   47.361   19.335   46.280   20.696 1.081841 28.32266 
1 1 1  -17   23    5 o   79.413   17.711   86.826   34.229  109.960   42.713   45.306   57.222   88.746   19.779   64.165   24.922 24.58179 31.81714 
1 1 1  -17   23    6 o  111.156   14.207  162.729   38.532  181.502   49.179  132.880   62.011  116.010   17.522   95.384   25.530 20.62640 30.96419 
1 1 1  -17   23    7 o   55.010   20.871   32.281   39.486   87.348   62.859  -3.6116   50.749   79.131   26.759   49.174   21.565 29.95714 34.36673 
1 1 1  -17   23    8 o   41.355   19.459 -47.3424   51.643 -47.3424   51.643   0.0000   0.0000   41.355   19.459  ?   ?  0.000000 19.45931 
1 1 1  -17   23    9 o   33.632   16.014 -43.8149   37.003 -55.8855   53.014 -32.3481   51.671   40.827   19.361   43.955   20.267 -3.128185 28.02849 
1 1 1  -17   23   10 o  110.338   18.149  163.847   48.267  187.536   74.741  146.899   63.217  113.981   26.723  101.398   25.100 12.58335 36.66246 
1 1 1  -17   23   11 o   73.823   18.372   74.444   33.734  102.779   42.325   25.098   55.855   86.390   20.012   58.857   24.027 27.53338 31.26931 
1 1 1  -17   23   12 o   58.042   19.105   43.317   32.078   61.068   39.959   11.146   53.796   67.482   21.247   54.466   23.012 13.01558 31.32085 
1 1 1  -17   23   13 o  142.712   12.969  262.893   45.715  290.281   58.889  221.359   72.520  148.745   16.112  126.053   23.913 22.69158 28.83456 
1 1 1  -17   23   14 o   95.478   15.907  120.993   36.592   98.616   46.029  159.422   60.321   84.319   21.725  106.907   23.257 -22.58774 31.82549 
1 1 1  -17   23   15 o   54.939   19.081   36.696   32.018   60.605   40.538  -2.9520   52.202   67.444   21.419   50.457   22.006 16.98702 30.70856 
1 1 1  -17   23   16 o   68.392   18.926   63.503   33.417   75.326   42.448   44.233   54.193   74.156   21.604   64.191   24.427 9.964439 32.60997 
1 1 1  -17   23   17 o  172.548   12.467  382.270   53.358  380.004   69.683  385.481   82.963  170.251   16.602  169.742   19.953 0.5084381 25.95643 
1 1 1  -17   23   18 o  103.982   15.181  142.296   38.258  144.468   49.052  138.921   61.131  103.085   19.775   99.149   24.764 3.935333 31.69011 
1 1 1  -17   23   19 o  102.974   15.410  139.856   38.407  132.073   48.892  152.398   62.068   98.113   20.611  104.029   24.327 -5.916000 31.88412 
1 1 1  -17   23   20 o   79.800   17.851   86.420   34.683  102.712   43.755   58.881   56.889   86.301   20.591   69.524   25.298 16.77721 32.61864 
1 1 1  -17   23   21 o   78.132   17.929   83.017   34.240   85.109   42.781   79.289   57.114   78.426   21.295   76.577   25.506 1.849480 33.22750 
1 1 1  -17   23   22 o  144.854   13.050  271.220   46.697  288.453   60.613  246.056   73.244  147.866   16.708  133.436   22.800 14.43051 28.26690 
1 1 1  -17   23   23 o   93.606   16.234  117.049   36.573  108.426   46.121  131.656   60.028   88.308   21.186   96.077   24.838 -7.768753 32.64579 
1 1 1  -17   23   24 o  314.600   12.556  1269.35   98.644  1251.45  134.778  1290.00  144.763  308.057   17.593  311.729   18.683 -3.672882 25.66236 
1 1 1  -17   23   25 o   94.533   15.870  119.286   36.135   83.083   45.129  183.961   60.320   77.125   22.220  115.132   21.778 -38.00734 31.11306 
1 1 1  -17   23   26 o  107.341   14.845  152.120   38.727  148.549   48.948  158.095   63.320  104.094   19.548  105.046   24.576 -0.9521103 31.40219 
1 1 1  -17   23   27 o  154.382   12.741  308.613   48.682  312.815   63.349  302.555   76.078  153.464   16.805  148.420   21.123 5.043869 26.99217 
1 1 1  -17   23   28 o  125.989   13.788  207.688   42.670  215.742   54.863  195.355   67.887  126.563   17.855  117.030   24.034 9.533066 29.94025 
1 1 1  -17   23   29 o   66.963   18.584   61.785   32.172   63.965   39.056   57.183   56.744   68.128   20.934   67.968   25.178 0.1597595 32.74354 
1 1 1  -17   23   30 o   71.544   24.034   70.221   50.706   55.161  131.636   72.845   54.946   81.878   35.328   72.940   25.016 8.937935 43.28815 
1 1 1  -17   23   31 o   92.712   20.444  120.606   46.060  120.606   46.060   0.0000   0.0000   92.712   20.444  ?   ?  0.000000 20.44432 
1 1 1  -17   23   32 o   35.200   15.344  -2.4883   25.354 -10.7413   29.782   19.247   48.331   35.729   16.043   53.586   22.164 -17.85669 27.36034 
1 1 1  -17   23   33 o   96.501   15.271  125.000   35.575   96.682   44.304  176.401   59.689   82.242   21.376  111.189   22.274 -28.94667 30.87113 
1 1 1  -17   23   34 o   70.014   17.722   68.268   31.012   62.054   37.572   81.552   54.933   66.612   20.543   75.310   25.011 -8.698792 32.36636 
1 1 1  -17   23   35 o   92.599   16.189  116.905   36.073  139.238   45.624   79.660   58.918   99.798   19.001   74.519   25.884 25.27909 32.10995 
1 1 1  -17   23   36 o  122.528   14.495  200.424   43.491  206.895   55.622  190.245   69.763  121.915   18.880  112.245   25.472 9.669975 31.70662 
1 1 1  -17   24    1 o   70.225   25.240   71.924   56.393   74.731   62.119   58.771  134.474   71.545   26.374   76.992   34.363 -5.446915 43.31728 
1 1 1  -17   24    2 o   57.821   23.262   34.473   51.487   14.723   55.944  143.832  131.642   53.994   23.160   90.886   36.970 -36.89211 43.62516 
1 1 1  -17   24    3 o   49.436   21.473   5.0909   49.286   24.030   53.250 -108.0800  130.169   55.691   23.168   60.108   28.990 -4.416431 37.11002 
1 1 1  -17   24    4 o   62.270   18.812   54.139   31.722   75.483   39.711   16.501   52.733   72.435   20.836   53.789   22.758 18.64562 30.85551 
1 1 1  -17   24    5 o   75.367   17.971   79.508   33.347   84.948   41.413   69.474   56.241   76.874   20.985   70.804   25.231 6.069946 32.81726 
1 1 1  -17   24    6 o   51.728   22.128   9.6947   50.823   0.0000   0.0000   9.6947   50.823  ?   ?    51.728   22.128 0.000000 22.12832 
1 1 1  -17   24    7 f   64.698   21.068   57.321   39.048   61.826   40.702   5.2738  138.348   66.828   21.488   75.126   34.075 -8.298470 40.28408 
1 1 1  -17   24    8 o   85.361   17.128   99.747   35.240  120.734   44.192   63.095   58.402   92.993   19.646   69.752   25.594 23.24101 32.26476 
1 1 1  -17   24    9 o  103.067   14.965  141.344   37.392  144.802   47.335  135.604   60.978  102.431   19.211   96.211   25.112 6.219200 31.61800 
1 1 1  -17   24   10 o   85.877   16.858  100.262   34.862   80.824   43.380  135.705   58.578   75.728   21.776   96.842   24.271 -21.11426 32.60767 
1 1 1  -17   24   11 o   65.501   22.465   56.431   44.311   94.039   64.585   22.982   60.908   81.307   27.125   59.440   24.757 21.86705 36.72440 
1 1 1  -17   24   12 o  123.295   18.813  206.244   56.089  166.077   82.202  241.236   76.725  104.746   29.932  130.206   24.496 -25.45929 38.67772 
1 1 1  -17   24   13 o  141.962   17.349  268.981   60.223  310.232   89.463  234.800   81.438  147.759   25.147  127.309   26.479 20.44970 36.51707 
1 1 1  -17   24   14 o  157.580   12.720  321.124   49.626  328.765   64.091  309.685   78.421  157.631   16.528  150.098   21.539 7.533554 27.14981 
1 1 1  -17   24   15 o   76.951   18.465   81.374   35.029   54.932   43.921  127.591   58.067   65.084   22.363   94.368   24.445 -29.28378 33.13088 
1 1 1  -17   24   16 o  229.813   12.168  678.701   69.580  707.602   91.504  639.080  107.135  232.395   15.862  217.899   19.909 14.49677 25.45553 
1 1 1  -17   24   17 f   59.569   19.414   46.508   33.156   38.646   42.131   59.300   53.740   58.358   21.680   68.545   24.639 -10.18623 32.81870 
1 1 1  -17   24   18 o   58.785   19.167   45.188   32.316   52.152   40.317   32.676   54.044   63.339   21.430   60.092   23.950 3.247093 32.13860 
1 1 1  -17   24   19 o   48.386   18.463   23.308   31.012   18.420   38.410   32.462   52.562   49.746   20.064   59.534   23.654 -9.788044 31.01737 
1 1 1  -17   24   20 o   67.316   19.013   62.097   33.368   74.094   41.785   40.979   55.438   73.087   21.475   62.938   24.507 10.14853 32.58488 
1 1 1  -17   24   21 o  107.965   15.336  154.436   40.186  133.785   50.864  188.741   65.556   97.839   21.413  115.562   23.517 -17.72310 31.80476 
1 1 1  -17   24   22 o  161.026   12.687  335.396   50.603  341.769   65.770  326.150   79.221  160.598   16.641  154.227   21.125 6.371445 26.89226 
1 1 1  -17   24   23 o  132.197   13.669  228.124   44.473  214.841   56.960  248.868   71.181  125.954   18.675  133.794   22.075 -7.840851 28.91452 
1 1 1  -17   24   24 o  165.477   12.797  354.724   52.471  327.352   68.017  394.957   82.462  156.372   17.732  170.619   19.717 -14.24725 26.51766 
1 1 1  -17   24   25 o  192.690   12.331  479.435   59.024  447.385   77.127  524.740   91.698  183.396   17.035  197.424   18.828 -14.02742 25.39097 
1 1 1  -17   24   26 o  101.821   16.591  139.600   40.733  101.960   51.444  202.856   66.690   84.265   23.540  119.573   23.171 -35.30867 33.03104 
1 1 1  -17   24   27 o  107.932   14.559  154.213   38.239  134.745   47.891  188.454   63.515   98.318   20.182  115.200   22.885 -16.88236 30.51312 
1 1 1  -17   24   28 o  174.936   12.552  396.738   54.467  352.470   70.728  461.249   85.380  161.870   17.791  184.649   18.778 -22.77956 25.86737 
1 1 1  -17   24   29 o   70.378   24.217   67.513   51.513  101.751  124.317   60.416   56.601   87.991   35.874   68.638   25.195 19.35293 43.83775 
1 1 1  -17   24   30 o  106.266   18.901  155.722   48.318  159.373   49.676   91.681  208.035  107.358   19.236   94.431   42.400 12.92635 46.55931 
1 1 1  -17   24   31 o   88.783   16.980  107.839   36.273  105.255   44.724  112.808   62.007   85.966   21.011   86.998   26.306 -1.032410 33.66682 
1 1 1  -17   24   32 f   98.299   15.963  130.674   37.839  114.229   47.247  160.088   63.189   89.243   21.464  104.112   24.681 -14.86934 32.70803 
1 1 1  -17   24   33 o  110.015   14.905  161.923   39.893  129.591   50.148  217.649   65.836   94.871   21.646  123.336   22.192 -28.46511 31.00017 
1 1 1  -17   24   34 o  172.497   13.403  391.172   57.280  389.484   74.947  393.543   88.822  168.764   18.064  166.395   21.909 2.368912 28.39586 
1 1 1  -17   24   35 o  178.269   13.365  418.582   59.066  419.334   77.746  417.556   90.838  174.771   18.075  171.075   21.755 3.695709 28.28429 
1 1 1  -17   24   36 o   59.547   18.521   49.422   30.466   27.000   35.872  107.453   57.709   50.662   19.717   83.649   25.397 -32.98635 32.15252 
1 1 1  -17   25    1 o   60.534   24.441   43.438   57.060   38.818   62.117   68.404  144.385   60.386   25.063   76.708   34.799 -16.32264 42.88529 
1 1 1  -17   25    2 o   47.036   20.996  -3.8281   50.218 -32.7320   53.945  183.961  137.501   43.243   20.199   94.650   38.037 -51.40647 43.06761 
1 1 1  -17   25    3 o   57.266   23.477   32.302   53.609   22.919   58.117   85.844  138.826   56.125   23.827   80.296   35.424 -24.17097 42.69158 
1 1 1  -17   25    4 o   44.094   20.096 -16.9675   48.861 -22.4968   52.305   20.914  136.907   44.604   20.501   72.779   33.347 -28.17506 39.14457 
1 1 1  -17   25    5 o   52.533   22.762   9.7352   55.112   14.117   60.308 -12.4569  135.717   55.296   23.885   69.560   32.340 -14.26413 40.20427 
1 1 1  -17   25    6 o   47.016   20.825  -3.6208   48.451  -1.1360   52.001 -19.9784  133.421   49.073   21.663   68.891   32.041 -19.81849 38.67731 
1 1 1  -17   25    7 o   37.088   16.336  -4.1008   29.408   5.7883   35.493 -25.7575   52.525   43.472   18.542   44.540   20.499 -1.067703 27.64039 
1 1 1  -17   25    8 o   36.414   16.237  -7.8529   29.948  -2.1954   36.883 -18.8000   51.306   42.004   18.403   45.397   20.652 -3.392342 27.66178 
1 1 1  -17   25    9 o   89.256   16.883  109.483   36.251  104.839   45.189  117.867   60.717   85.290   21.285   88.343   25.867 -3.052589 33.49837 
1 1 1  -17   25   10 o   71.011   18.874   70.872   34.041   76.981   42.402   59.796   57.096   73.364   21.655   67.943   25.239 5.420670 33.25525 
1 1 1  -17   25   11 o   98.868   15.699  131.747   37.463  153.531   46.848   93.102   62.396  105.517   18.451   79.794   26.662 25.72231 32.42381 
1 1 1  -17   25   12 o  132.623   13.469  230.812   43.988  256.688   56.339  190.407   70.400  138.231   16.657  113.595   25.449 24.63634 30.41556 
1 1 1  -17   25   13 o  170.357   12.461  376.768   52.642  367.624   68.170  390.276   82.854  165.802   16.691  168.464   20.091 -2.662277 26.12020 
1 1 1  -17   25   14 o   69.904   19.198   68.149   34.537   61.844   43.288   79.193   57.289   67.234   22.197   75.121   25.545 -7.887123 33.84161 
1 1 1  -17   25   15 o  115.196   19.808  183.473   54.926  208.560   83.451  164.298   72.957  117.211   28.733  104.501   27.561 12.70963 39.81469 
1 1 1  -17   25   16 o  156.983   17.289  330.438   66.654  377.519  101.166  294.324   88.604  161.461   25.971  142.301   25.888 19.16066 36.66995 
1 1 1  -17   25   17 o   40.370   18.668 -29.1561   44.316 -28.5334   77.011 -29.4644   54.186   54.918   25.106   45.323   20.845 9.595074 32.63165 
1 1 1  -17   25   18 o   85.552   17.789  100.521   36.766  110.985   46.721   83.504   59.583   88.512   21.378   77.021   26.052 11.49056 33.70111 
1 1 1  -17   25   19 o   85.756   17.852  101.045   36.987   91.715   47.040  116.155   59.864   80.166   22.551   88.991   25.578 -8.824928 34.09964 
1 1 1  -17   25   20 o   70.205   19.026   68.509   34.186   49.924   42.481  102.665   57.589   62.358   21.960   83.999   25.341 -21.64085 33.53197 
1 1 1  -17   25   21 o  161.786   12.846  340.171   51.472  353.325   66.749  320.875   80.845  162.786   16.655  151.614   21.995 11.17195 27.58942 
1 1 1  -17   25   22 o   64.659   19.404   57.538   33.832   73.593   41.822   27.133   57.553   72.351   21.543   59.076   24.284 13.27485 32.46244 
1 1 1  -17   25   23 o   43.199   17.623   12.081   30.023   12.780   36.316   10.572   53.361   46.566   19.232   53.307   22.736 -6.741314 29.77894 
1 1 1  -17   25   24 o  100.797   15.631  136.242   38.070  111.524   47.537  180.446   63.571   88.444   21.689  112.041   23.473 -23.59753 31.95898 
1 1 1  -17   25   25 o  107.185   15.137  153.211   39.389  153.439   49.414  152.813   65.232  105.165   19.535  101.577   25.697 3.588249 32.27961 
1 1 1  -17   25   26 o   60.855   19.033   50.376   32.125   35.891   38.716   82.386   57.556   55.731   20.767   76.143   25.606 -20.41217 32.96872 
1 1 1  -17   25   27 o   73.695   18.263   75.632   33.439   40.988   40.296  152.240   59.923   58.108   21.269  102.234   23.900 -44.12629 31.99357 
1 1 1  -17   25   28 o   49.837   18.782   27.042   31.843   17.646   37.434   51.641   60.568   48.542   19.726   66.365   25.679 -17.82256 32.38088 
1 1 1  -17   25   29 o   52.658   18.958   33.629   31.828   31.651   38.652   37.796   56.096   53.937   20.604   61.140   24.391 -7.202244 31.92875 
1 1 1  -17   25   30 o   66.747   19.109   62.407   33.471   55.819   40.435   76.748   59.659   63.991   21.463   73.844   26.021 -9.853737 33.73077 
1 1 1  -17   25   31 o  120.386   14.534  192.941   42.810  166.844   53.822  237.885   70.633  108.564   20.607  128.518   22.846 -19.95473 30.76628 
1 1 1  -17   25   32 o  123.984   14.478  204.816   43.982  180.000   55.511  246.666   72.087  112.740   20.472  130.549   22.950 -17.80925 30.75362 
1 1 1  -17   25   33 o  110.443   15.226  164.445   40.876  146.260   50.644  198.434   69.237  100.983   20.776  115.108   24.818 -14.12483 32.36607 
1 1 1  -17   25   34 o  274.056   13.443  987.055   91.998  976.211  123.522  1000.56  137.865  265.931   18.720  266.147   20.912 -0.2153015 28.06684 
1 1 1  -17   25   35 o  114.126   15.398  176.817   42.763  189.597   53.671  154.599   70.766  115.792   19.236   98.299   27.662 17.49332 33.69317 
1 1 1  -17   26    2 o   64.442   24.941   59.412   57.150   61.853   61.937   45.423  148.251   65.662   25.807   72.770   33.822 -7.108406 42.54285 
1 1 1  -17   26    3 o   61.776   24.499   49.371   56.291   49.027   61.019   51.337  145.855   62.479   25.257   74.158   34.140 -11.67899 42.46769 
1 1 1  -17   26    4 o  115.776   24.902  210.055   69.858  164.275   77.917  397.642  157.725   97.485   29.491  132.275   42.275 -34.79031 51.54477 
1 1 1  -17   26    5 o   41.589   19.387 -30.0803   49.284 -30.4384   52.533 -27.4505  142.364   43.007   20.037   67.381   31.888 -24.37339 37.66096 
1 1 1  -17   26    6 o   51.130   22.275   8.3608   53.363   8.3608   53.363   0.0000   0.0000   51.130   22.275  ?   ?  0.000000 22.27529 
1 1 1  -17   26    7 o   67.895   24.774   65.595   54.611   97.711   58.786 -136.7384  147.550   79.234   25.852   60.741   29.653 18.49352 39.34035 
1 1 1  -17   26    8 o   71.408   24.924   74.963   54.656   64.371   58.952  139.798  145.855   68.240   25.587   89.925   37.937 -21.68574 45.75875 
1 1 1  -17   26    9 o   57.042   21.113   40.804   39.884   30.041   55.364   52.418   57.507   57.727   23.784   64.598   25.014 -6.870823 34.51638 
1 1 1  -17   26   10 o   41.295   17.518   5.9464   31.379   26.481   38.709 -33.4125   53.591   51.523   20.353   43.590   20.285 7.933151 28.73531 
1 1 1  -17   26   11 o   70.488   19.071   70.721   34.384   72.727   42.725   67.036   57.925   70.916   21.913   69.663   25.500 1.253098 33.62172 
1 1 1  -17   26   12 o  146.238   12.949  281.045   46.797  291.040   59.425  264.726   75.931  146.613   16.519  134.756   23.414 11.85733 28.65453 
1 1 1  -17   26   13 o   55.292   19.381   39.315   33.068  -2.0430   40.263  125.028   57.963   43.797   19.207   91.199   24.798 -47.40223 31.36625 
1 1 1  -17   26   14 o   48.167   18.624   23.514   31.842   26.263   38.912   17.943   55.401   51.845   20.430   55.276   23.353 -3.431618 31.02832 
1 1 1  -17   26   15 o   45.965   18.344   17.923   31.744   48.379   39.876 -34.7717   52.451   60.669   21.282   43.166   20.081 17.50290 29.26020 
1 1 1  -17   26   16 o  132.366   13.639  230.966   44.436  250.882   56.528  198.757   71.888  136.101   17.003  115.413   25.612 20.68776 30.74244 
1 1 1  -17   26   17 o   91.828   17.433  116.130   38.514  119.887   48.756  109.894   62.811   91.238   21.713   85.461   26.595 5.776894 34.33316 
1 1 1  -17   26   18 o   76.201   19.863   82.317   38.182   41.865   46.632  164.610   66.511   59.812   22.683  104.915   25.610 -45.10269 34.21152 
1 1 1  -17   26   19 o   72.040   24.478   73.066   52.601   97.474   89.341   60.115   65.076   82.496   31.371   69.477   26.689 13.01906 41.18779 
1 1 1  -17   26   20 o  127.869   20.146  227.910   62.200  359.619  106.975  160.638   76.453  153.543   28.962  101.664   28.802 51.87855 40.84540 
1 1 1  -17   26   21 o  110.862   22.638  176.874   60.553  121.344  105.153  204.424   74.066   89.206   34.007  117.041   26.016 -27.83483 42.81698 
1 1 1  -17   26   22 o  117.843   21.871  197.650   61.990  162.062  107.680  215.292   75.814   98.929   34.949  120.186   26.015 -21.25700 43.56831 
1 1 1  -17   26   23 o   63.265   23.929   48.436   51.809  -9.4600  101.088   69.061   60.336   64.468   29.194   71.457   26.046 -6.988815 39.12402 
1 1 1  -17   26   24 o   70.673   19.393   70.382   35.261   63.057   43.512   84.394   60.182   67.374   22.254   76.526   26.182 -9.151581 34.36171 
1 1 1  -17   26   25 o   56.376   19.196   41.563   32.351   42.456   39.405   39.719   56.661   58.256   21.077   61.712   24.546 -3.455776 32.35349 
1 1 1  -17   26   26 o   49.003   18.595   25.800   31.348   35.810   37.698   3.3641   56.437   55.138   20.503   52.375   22.860 2.762890 30.70752 
1 1 1  -17   26   27 o  109.556   15.396  161.310   40.957  143.751   51.138  192.726   68.401  100.352   21.077  114.147   24.713 -13.79586 32.48003 
1 1 1  -17   26   28 o   38.689   16.885  -1.9029   30.781 -43.7833   36.806   95.550   56.145   33.128   15.829   80.205   25.175 -47.07637 29.73747 
1 1 1  -17   26   29 o   46.120   19.017   13.916   35.428   13.916   35.428   0.0000   0.0000   46.120   19.017  ?   ?  0.000000 19.01672 
1 1 1  -17   26   30 o   65.223   19.772   60.016   34.996   85.631   42.710   7.6767   61.051   76.781   21.449   54.654   23.818 22.12641 32.05227 
1 1 1  -17   26   31 o   75.571   18.629   81.054   34.931   47.339   42.126  155.249   62.493   60.273   21.794  101.266   24.889 -40.99369 33.08271 
1 1 1  -17   26   32 o   89.800   18.095  113.352   39.175  151.073   49.061   46.984   65.076  102.985   19.796   64.727   26.113 38.25816 32.76823 
1 1 1  -17   26   33 o  125.456   24.522  237.037   74.069   90.835  164.619  274.148   82.939   84.653   37.883  134.037   25.714 -49.38449 45.78613 
1 1 1  -17   26   34 o   81.602   26.885  105.078   63.516   42.475  160.192  116.756   69.187   78.048   35.875   85.090   28.060 -7.042236 45.54551 
1 1 1  -17   27    4 f   82.397   37.283  140.104  164.464   0.0000   0.0000  140.104  164.464  ?   ?    82.397   37.283 0.000000 37.28266 
1 1 1  -17   27    5 o   46.739   21.330 -12.2421   55.286 -12.2421   55.286   0.0000   0.0000   46.739   21.330  ?   ?  0.000000 21.33026 
1 1 1  -17   27    6 o   44.857   20.531 -15.8573   51.710  -6.8080   55.131 -82.0565  149.113   47.931   21.646   62.782   30.459 -14.85051 37.36677 
1 1 1  -17   27    7 o   60.825   23.878   47.241   52.966   33.137   56.538  148.383  151.409   57.633   23.915   87.160   37.747 -29.52784 44.68550 
1 1 1  -17   27    8 o   40.459   18.945 -32.7176   47.944 -34.4827   50.665 -17.5974  148.288   41.444   19.428   68.968   32.611 -27.52400 37.95969 
1 1 1  -17   27    9 o   58.961   23.695   39.054   53.360   35.047   56.928   68.042  153.129   58.711   24.145   78.811   35.785 -20.09959 43.16918 
1 1 1  -17   27   10 o   66.779   24.462   63.229   53.319   72.363   56.881  -2.9280  153.086   70.151   25.332   72.066   33.780 -1.915100 42.22269 
1 1 1  -17   27   11 o   71.216   25.219   74.937   56.104   69.038   59.939  116.676  159.428   69.553   25.855   86.381   38.043 -16.82814 45.99679 
1 1 1  -17   27   12 o   90.568   16.965  114.368   36.958  114.815   45.976  113.551   62.135   88.398   21.117   84.936   26.455 3.462013 33.84956 
1 1 1  -17   27   13 o   50.444   18.914   29.668   32.214   39.407   39.637   10.719   55.287   56.378   21.012   52.809   22.840 3.568733 31.03482 
1 1 1  -17   27   14 o   54.984   19.418   39.296   33.238   38.070   41.283   41.554   56.041   56.366   21.351   61.125   24.381 -4.759140 32.40790 
1 1 1  -17   27   15 o   92.333   17.556  118.910   38.999  131.777   48.625   95.707   65.296   95.327   20.994   79.192   27.264 16.13550 34.41057 
1 1 1  -17   27   16 o  121.099   14.834  196.938   43.921  199.779   55.854  192.335   71.096  119.143   19.444  112.123   25.912 7.020157 32.39571 
1 1 1  -17   27   17 o  112.776   15.617  172.192   42.800  172.159   54.421  172.246   69.294  109.778   20.609  105.731   26.342 4.047333 33.44548 
1 1 1  -17   27   18 o  152.212   13.737  306.527   51.652  329.074   66.138  271.275   82.698  155.241   17.358  134.410   25.573 20.83145 30.90749 
1 1 1  -17   27   19 o  142.204   13.969  268.162   48.965  308.131   62.652  205.431   78.489  150.515   16.965  114.880   27.686 35.63562 32.47005 
1 1 1  -17   27   20 o   87.690   18.334  107.896   38.854  113.833   48.212   96.894   65.628   88.257   21.963   80.119   27.341 8.138519 35.06993 
1 1 1  -17   27   21 o  149.445   13.686  295.091   50.507  284.824   64.091  311.914   82.044  143.831   18.255  146.688   23.167 -2.856598 29.49482 
1 1 1  -17   27   22 o   70.875   19.636   71.590   35.951   72.629   44.914   69.737   59.978   71.007   22.545   70.977   25.953 0.3035736E-01 34.37787 
1 1 1  -17   27   23 f   57.248   19.766   43.225   34.330   23.585   42.283   81.216   58.805   52.016   21.026   74.700   25.865 -22.68414 33.33282 
1 1 1  -17   27   24 o   74.671   25.322   81.497   56.290  253.405  110.019   20.539   65.514  121.096   34.636   58.914   25.161 62.18234 42.81059 
1 1 1  -17   27   25 o  148.536   20.330  310.330   73.428  521.595  139.914  230.025   86.262  179.272   32.448  120.631   28.995 58.64099 43.51507 
1 1 1  -17   27   26 f   64.013   24.424   51.154   54.271   45.683  113.621   52.771   61.774   74.140   32.396   65.953   25.817 8.187607 41.42505 
1 1 1  -17   27   27 o   38.742   18.410 -48.4778   48.419 -79.7200  115.303 -41.7890   53.351   59.011   28.146   42.185   19.827 16.82557 34.42803 
1 1 1  -17   27   28 o   93.758   37.283  154.238  130.685  154.238  130.685   0.0000   0.0000   93.758   37.283  ?   ?  0.000000 37.28304 
1 1 1  -17   27   29 o   93.203   26.190  135.307   63.482   45.812  132.183  162.136   72.374   76.206   34.036  100.920   27.822 -24.71432 43.96006 
1 1 1  -17   27   30 o   68.086   25.334   63.971   57.576   5.5758  134.634   77.041   63.694   71.310   32.819   72.805   26.726 -1.495178 42.32454 
1 1 1  -17   27   31 o   47.813   21.527  -9.7598   54.050  150.990  137.793 -38.9907   58.759   91.412   37.576   44.721   20.951 46.69028 43.02188 
1 1 1  -17   27   32 o   71.635   26.388   75.439   62.169  206.626  159.523   51.946   67.506   98.949   40.523   65.694   26.563 33.25484 48.45346 
1 1 1  -17   28    6 o   63.334   30.902 -62.6946  159.612   0.0000   0.0000 -62.6946  159.612  ?   ?    63.334   30.902 0.000000 30.90216 
1 1 1  -17   28    7 o   68.624   25.722   74.454   59.569   65.718   64.010  130.940  162.763   66.312   26.180   81.033   36.833 -14.72054 45.18887 
1 1 1  -17   28    8 o   80.750   26.652  110.078   62.411  123.658   67.304   26.736  166.737   84.589   27.665   72.363   34.323 12.22619 44.08400 
1 1 1  -17   28    9 o   54.697   23.114   25.648   54.289   23.361   57.418   44.933  166.736   55.001   23.524   74.762   35.111 -19.76164 42.26269 
1 1 1  -17   28   10 o   79.440   26.310  103.220   60.800  130.356   65.203 -77.5632  168.298   88.342   27.032   66.203   32.174 22.13895 42.02233 
1 1 1  -17   28   11 o   84.193   25.876  114.906   59.671  123.501   63.858   55.738  167.549   86.573   26.795   77.314   35.941 9.259453 44.83016 
1 1 1  -17   28   12 o   50.884   21.880   13.340   50.152   4.0139   52.545  108.793  168.102   49.568   21.835   83.468   37.737 -33.90034 43.59827 
1 1 1  -17   28   13 o   61.244   23.711   48.014   51.666   59.119   54.354 -55.9701  166.324   65.212   24.546   68.850   33.095 -3.637985 41.20438 
1 1 1  -17   28   14 o   56.159   23.016   30.636   51.506   22.472   54.119  109.108  167.788   54.750   23.104   84.727   38.058 -29.97659 44.52171 
1 1 1  -17   28   15 o  102.872   19.136  151.384   47.350  140.028   65.226  164.035   68.846   93.454   26.648  101.192   26.814 -7.738121 37.80379 
1 1 1  -17   28   16 o   48.019   19.029   22.530   33.937   14.387   41.772   38.341   58.206   48.414   20.357   60.245   24.553 -11.83123 31.89419 
1 1 1  -17   28   17 o   76.126   19.962   84.475   38.415   73.061   47.884  105.088   64.350   70.334   23.351   81.569   27.069 -11.23445 35.74944 
1 1 1  -17   28   18 o   76.519   19.689   84.941   37.841  109.522   47.594   42.698   62.391   85.709   22.096   62.557   25.449 23.15218 33.70303 
1 1 1  -17   28   19 o   86.984   18.888  108.091   39.853  119.359   49.907   88.262   66.207   89.428   22.397   76.256   27.354 13.17190 35.35347 
1 1 1  -17   28   20 o   54.064   19.977   36.114   35.679   61.922   44.033 -13.2196   60.881   65.917   22.396   49.936   22.631 15.98120 31.83910 
1 1 1  -17   28   21 o   43.395   18.164   10.147   33.021 -25.1136   39.927   86.472   58.742   38.086   17.650   75.651   25.867 -37.56531 31.31432 
1 1 1  -17   28   22 o  112.155   15.805  171.556   43.038  159.724   53.616  192.992   72.166  104.770   21.220  111.310   26.368 -6.539635 33.84622 
1 1 1  -17   28   23 o   61.067   20.254   52.010   36.028   51.391   43.738   53.317   63.540   61.750   22.225   65.806   26.051 -4.056568 34.24291 
1 1 1  -17   28   24 o   94.321   17.677  124.677   40.105  128.422   50.103  117.998   66.910   93.215   21.897   86.124   27.535 7.091331 35.18038 
1 1 1  -17   28   25 o   55.222   19.521   39.955   33.602   36.627   40.743   47.033   59.419   55.536   21.169   63.180   25.135 -7.643436 32.86137 
1 1 1  -17   28   26 o   63.907   24.439   52.932   54.413   8.6116  114.289   65.922   61.876   67.640   30.791   68.987   26.137 -1.346733 40.38881 
1 1 1  -17   28   27 o   71.372   20.159   74.275   37.510   79.335   45.225   63.122   67.148   72.986   22.543   68.744   26.915 4.241608 35.10844 
1 1 1  -17   28   28 o  135.507   14.584  247.396   48.572  251.548   61.143  240.293   79.970  133.527   18.862  123.668   26.679 9.859184 32.67305 
1 1 1  -17   28   29 o   69.685   19.699   70.788   35.804   77.627   43.105   55.571   64.298   72.152   21.959   65.929   26.172 6.222664 34.16399 
1 1 1  -17   28   30 o   48.482   18.593   26.281   31.551   26.135   36.970   26.673   60.534   50.246   19.877   57.573   24.372 -7.327145 31.45014 
1 1 1  -17   28   31 o   64.485   20.015   60.584   35.600   32.843   42.615  124.663   64.768   54.161   21.368   87.320   26.979 -33.15844 34.41602 
1 1 1  -17   29    9 o   55.643   23.586   31.538   56.807   39.347   59.959 -36.9408  177.555   58.191   24.424   66.461   32.464 -8.269711 40.62565 
1 1 1  -17   29   10 o   59.467   24.199   45.337   56.428   49.445   59.502   8.6337  177.864   61.056   24.848   70.292   33.898 -9.235394 42.02917 
1 1 1  -17   29   11 o   44.226   20.272 -14.4848   50.663  -4.5188   52.983 -120.8704  173.108   47.045   21.235   62.437   30.806 -15.39225 37.41614 
1 1 1  -17   29   12 o   48.631   21.576   3.6435   52.218   13.638   54.730 -97.7809  174.346   51.669   22.533   64.444   31.622 -12.77444 38.82907 
1 1 1  -17   29   13 o   58.245   23.397   41.127   52.002   20.313   54.238  278.128  183.018   53.267   22.825  100.040   42.366 -46.77326 48.12296 
1 1 1  -17   29   14 o   64.028   24.625   57.797   55.440   58.865   58.248   47.520  180.750   64.691   25.140   76.306   36.057 -11.61539 43.95584 
1 1 1  -17   29   15 o   37.212   17.736 -44.6047   45.610 -48.1932   46.937   16.182  193.182   37.337   17.849   75.427   36.100 -38.09090 40.27195 
1 1 1  -17   29   16 o   54.893   22.862   27.562   51.940   13.996   53.843  209.335  197.094   52.077   22.532   93.220   41.604 -41.14330 47.31302 
1 1 1  -17   29   17 o   61.773   24.027   49.939   53.239   74.628   55.244 -271.8391  199.441   70.067   25.003   61.330   30.710 8.737270 39.60124 
1 1 1  -17   29   18 o   40.759   18.145  -4.9551   37.243  -5.0151   47.454  -4.8589   60.096   45.519   20.357   50.447   22.707 -4.927769 30.49667 
1 1 1  -17   29   19 o  119.854   15.725  197.653   45.930  182.837   57.109  224.787   77.285  111.092   21.362  118.296   26.785 -7.204185 34.26007 
1 1 1  -17   29   20 o   70.951   20.651   74.743   38.801   82.460   48.050   60.279   65.781   73.447   23.319   66.941   26.504 6.506210 35.30207 
1 1 1  -17   29   21 o   37.833   16.958  -7.9640   33.128  -4.4274   39.738 -16.0224   59.984   42.218   18.772   48.519   22.172 -6.300884 29.05151 
1 1 1  -17   29   22 o   69.914   20.486   72.265   38.071   77.573   46.631   61.654   65.931   71.601   22.997   67.412   26.584 4.189743 35.15069 
1 1 1  -17   29   23 o   88.616   18.895  113.433   40.536  138.856   49.529   61.859   70.545   96.773   21.091   68.076   27.285 28.69733 34.48594 
1 1 1  -17   29   24 o   90.040   18.918  117.104   41.184  133.794   50.779   85.020   70.404   94.288   21.973   74.253   27.938 20.03422 35.54366 
1 1 1  -17   29   25 o   60.970   20.385   53.035   36.475   40.532   43.644   81.994   66.424   57.044   21.870   73.140   27.212 -16.09574 34.91090 
1 1 1  -17   29   26 o   32.751   15.367 -26.3829   31.816 -12.8673   37.762 -59.4523   59.067   39.161   17.777   41.556   19.908 -2.395050 26.69045 
1 1 1  -17   29   27 o  110.290   16.774  170.058   44.742  227.173   55.899   68.232   74.638  126.595   18.206   69.803   28.034 56.79146 33.42694 
1 1 1  -17   29   28 o   84.169   19.228  103.711   39.530  114.724   48.376   81.583   68.575   86.603   22.250   72.667   27.520 13.93598 35.38935 
1 1 1  -17   29   29 o   51.710   19.244   33.640   33.224   6.3914   38.990  105.873   63.481   44.457   19.204   80.187   26.892 -35.73029 33.04536 
1 1 1  -17   30   12 o   50.504   22.105   15.271   53.093   5.4728   55.354  127.912  187.679   49.096   21.970   77.275   36.583 -28.17960 42.67329 
1 1 1  -17   30   13 o   44.839   20.563 -12.0207   52.219 -22.2957   54.271  116.180  191.702   43.835   20.403   77.391   36.735 -33.55554 42.02089 
1 1 1  -17   30   14 o   57.105   23.571   38.726   54.502   29.531   56.813  144.930  193.084   55.267   23.513   80.598   37.829 -25.33082 44.54115 
1 1 1  -17   30   15 o   61.725   24.543   53.270   56.626   56.396   58.819   13.690  209.316   62.876   25.009   72.827   35.502 -9.950542 43.42638 
1 1 1  -17   30   16 o   60.561   24.253   48.939   55.692   45.938   57.619   91.568  217.144   60.035   24.444   78.563   37.777 -18.52732 44.99543 
1 1 1  -17   30   17 o   48.447   21.426   5.2692   51.093   13.507   52.737 -120.6821  206.213   50.852   22.150   66.511   32.963 -15.65871 39.71331 
1 1 1  -17   30   18 o   34.547   16.691 -54.3154   43.600 -50.8272   44.509 -137.1535  216.900   35.501   17.079   67.181   33.382 -31.67982 37.49726 
1 1 1  -17   30   19 o   80.659   25.587  107.812   57.862   87.213   59.922  392.032  222.578   73.178   26.047  106.776   46.005 -33.59852 52.86672 
1 1 1  -17   30   20 o   57.122   23.200   37.810   51.742   49.743   53.176 -174.4871  224.295   60.919   23.922   66.818   33.322 -5.898857 41.01936 
1 1 1  -17   30   21 o   74.782   25.281   90.611   56.108   99.303   57.782 -52.8635  234.755   77.754   25.644   73.330   36.122 4.423317 44.29898 
1 1 1  -17   30   22 o   58.953   21.469   48.817   40.981   52.626   51.983   42.563   66.612   61.737   23.817   61.448   25.765 0.2882004 35.08660 
1 1 1  -17   30   23 o   82.155   21.155  103.108   43.662   78.012   55.096  145.479   71.589   70.416   24.986   91.369   28.386 -20.95251 37.81626 
1 1 1  -17   30   24 o   56.215   20.362   43.439   36.794   25.989   43.848   84.971   67.647   51.673   21.213   72.622   27.374 -20.94949 34.63127 
1 1 1  -17   30   25 o   33.874   15.864 -25.2771   33.638 -33.2970   40.002  -5.9150   62.155   35.981   16.990   50.289   22.821 -14.30877 28.45083 
1 1 1  -17   30   26 o   27.874   13.702 -60.2806   33.198 -60.2806   33.198   0.0000   0.0000   27.874   13.702  ?   ?  0.000000 13.70202 
1 1 1  -17   31   15 o   64.972   25.401   69.694   59.741   51.469   61.986  307.798  224.048   60.245   25.024   86.800   40.743 -26.55476 47.81425 
1 1 1  -17   31   16 o   58.689   24.201   46.592   57.386   32.267   59.315  256.052  226.814   55.511   23.830   83.903   39.864 -28.39198 46.44394 
1 1 1  -17   31   17 o   56.251   23.588   37.304   55.837   57.702   57.604 -279.9872  227.193   61.973   24.718   59.796   30.290 2.177189 39.09597 
1 1 1  -17   31   18 o   57.153   23.616   40.841   54.795   48.096   56.357 -84.6217  234.354   59.357   24.172   67.482   33.716 -8.125095 41.48570 
1 1 1  -17   31   19 o   51.281   22.070   20.685   51.111   23.191   52.359 -30.0080  235.487   52.235   22.406   70.175   34.855 -17.94017 41.43532 
1 1 1  -17   31   20 o   78.030   26.001  106.088   59.349  103.063   61.143  155.371  246.806   76.679   26.384   79.802   38.824 -3.122986 46.94036 
1 1 1  -17   31   21 o   66.287   24.709   70.320   54.818   70.301   56.165   70.700  251.829   66.294   24.952   75.935   37.406 -9.640198 44.96471 
1 1 1  -17   31   22 o   70.411   25.150   82.512   55.910   84.894   57.302   35.248  255.244   71.132   25.455   74.630   36.930 -3.497833 44.85321 
1 1 1  -16  -36    1 o  111.509   22.933  232.033   61.727   0.0000   0.0000  232.033   61.727  ?   ?   111.509   22.933 0.000000 22.93305 
1 1 1  -16  -36    2 o   35.743   16.117   2.3517   30.427   0.0000   0.0000   2.3517   30.427  ?   ?    35.743   16.117 0.000000 16.11692 
1 1 1  -16  -35    1 o   50.746   19.481   39.430   34.656   64.577  151.349   38.038   35.602   61.615   30.070   50.298   19.624 11.31687 35.90676 
1 1 1  -16  -35    2 f   68.169   21.864   85.689   42.160   0.0000   0.0000   85.689   42.160  ?   ?    68.169   21.864 0.000000 21.86400 
1 1 1  -16  -35    3 o   83.961   22.872  134.206   49.255   0.0000   0.0000  134.206   49.255  ?   ?    83.961   22.872 0.000000 22.87172 
1 1 1  -16  -35    4 f   51.303   20.102   46.306   37.477   0.0000   0.0000   46.306   37.477  ?   ?    51.303   20.102 0.000000 20.10172 
1 1 1  -16  -34    1 o   55.036   20.306   46.506   36.836   18.571  142.661   48.502   38.129   61.953   29.994   55.893   20.652 6.060570 36.41590 
1 1 1  -16  -34    2 o   31.226   14.594 -17.3700   28.223  288.362  150.953 -28.4442   28.730   87.477   37.787   29.272   13.986 58.20449 40.29252 
1 1 1  -16  -34    3 o   65.361   21.936   75.898   42.240   0.0000   0.0000   75.898   42.240  ?   ?    65.361   21.936 0.000000 21.93640 
1 1 1  -16  -34    4 o   82.692   22.674  124.962   48.223   0.0000   0.0000  124.962   48.223  ?   ?    82.692   22.674 0.000000 22.67433 
1 1 1  -16  -34    5 o   34.904   15.904  -3.9351   30.584   0.0000   0.0000  -3.9351   30.584  ?   ?    34.904   15.904 0.000000 15.90426 
1 1 1  -16  -34    6 o   53.732   20.765   52.516   39.568   0.0000   0.0000   52.516   39.568  ?   ?    53.732   20.765 0.000000 20.76487 
1 1 1  -16  -33    1 f   37.810   17.065  -6.2974   34.202  216.212  134.930 -21.5753   35.356   89.048   36.948   35.023   16.358 54.02419 40.40692 
1 1 1  -16  -33    2 o   59.271   20.847   54.936   38.274 -29.2769  136.829   62.084   39.865   59.645   28.992   62.224   21.309 -2.579430 35.98045 
1 1 1  -16  -33    3 o   64.541   21.380   68.833   40.148   90.941  142.859   66.937   41.834   68.822   32.378   63.517   21.825 5.304699 39.04713 
1 1 1  -16  -33    4 o   56.347   20.923   50.317   39.234   0.0000   0.0000   50.317   39.234  ?   ?    56.347   20.923 0.000000 20.92332 
1 1 1  -16  -33    5 o   32.011   14.999 -18.3746   30.137   0.0000   0.0000 -18.3746   30.137  ?   ?    32.011   14.999 0.000000 14.99932 
1 1 1  -16  -33    6 o   30.145   14.385 -26.8096   30.199   0.0000   0.0000 -26.8096   30.199  ?   ?    30.145   14.385 0.000000 14.38526 
1 1 1  -16  -33    7 o   49.865   19.813   38.840   36.881   0.0000   0.0000   38.840   36.881  ?   ?    49.865   19.813 0.000000 19.81342 
1 1 1  -16  -32    1 o   55.337   20.333   42.313   36.879   49.788  129.378   41.652   38.475   69.962   32.189   55.325   20.685 14.63746 38.26209 
1 1 1  -16  -32    2 o   69.281   32.182   51.502  133.930   51.502  133.930   0.0000   0.0000   69.281   32.182  ?   ?  0.000000 32.18223 
1 1 1  -16  -32    3 o   95.262   21.566  143.784   50.110   48.973  141.234  157.438   53.597   68.287   32.147   99.203   22.191 -30.91576 39.06189 
1 1 1  -16  -32    4 o   86.620   21.906  122.135   47.414   65.105  143.610  129.112   50.231   68.602   32.332   88.388   22.653 -19.78680 39.47779 
1 1 1  -16  -32    5 o   30.648   14.481 -24.1468   29.140 -11.2977  137.114 -24.7546   29.822   60.340   29.259   30.946   14.630 29.39399 32.71261 
1 1 1  -16  -32    6 o   75.684   22.803   99.851   46.653   0.0000   0.0000   99.851   46.653  ?   ?    75.684   22.803 0.000000 22.80278 
1 1 1  -16  -32    7 o   44.356   18.645   19.668   35.029   0.0000   0.0000   19.668   35.029  ?   ?    44.356   18.645 0.000000 18.64528 
1 1 1  -16  -32    8 o   54.938   20.748   49.955   38.913   0.0000   0.0000   49.955   38.913  ?   ?    54.938   20.748 0.000000 20.74838 
1 1 1  -16  -31    1 o   35.752   16.180 -10.8675   30.991 -22.0296  117.441 -10.0321   32.129   63.005   29.550   36.648   16.540 26.35691 33.86384 
1 1 1  -16  -31    2 o   57.456   20.999   45.261   39.257 -65.0347  123.476   57.663   41.405   59.217   28.478   62.687   21.703 -3.469612 35.80527 
1 1 1  -16  -31    3 f   75.112   33.788   84.743  132.811   84.743  132.811   0.0000   0.0000   75.112   33.788  ?   ?  0.000000 33.78843 
1 1 1  -16  -31    4 o   54.148   20.499   39.347   38.039   82.029  131.462   35.446   39.739   73.183   33.202   53.046   20.723 20.13671 39.13823 
1 1 1  -16  -31    5 o   62.030   21.436   59.589   40.384  216.304  133.475   43.798   42.370   91.182   37.173   56.058   21.535 35.12342 42.96074 
1 1 1  -16  -31    6 o   55.062   20.733   43.574   38.788   34.170  132.449   44.456   40.566   65.352   30.876   55.610   21.141 9.741436 37.42007 
1 1 1  -16  -31    7 o   41.416   17.851   9.1940   33.538   0.0000   0.0000   9.1940   33.538  ?   ?    41.416   17.851 0.000000 17.85088 
1 1 1  -16  -31    8 o   66.203   22.254   74.867   43.474   0.0000   0.0000   74.867   43.474  ?   ?    66.203   22.254 0.000000 22.25424 
1 1 1  -16  -31    9 o   84.281   23.176  126.357   50.298   0.0000   0.0000  126.357   50.298  ?   ?    84.281   23.176 0.000000 23.17644 
1 1 1  -16  -30    1 o  143.130   19.388  287.352   67.512   43.741  140.050  361.100   77.056   77.120   34.694  160.407   19.648 -83.28664 39.87109 
1 1 1  -16  -30    2 o  130.074   19.270  239.640   60.700  118.738  130.725  272.871   68.536   85.502   35.985  137.868   20.533 -52.36605 41.43075 
1 1 1  -16  -30    3 o  120.123   20.372  209.759   58.925   47.885  136.610  246.760   65.313   74.449   33.803  130.079   20.808 -55.62984 39.69420 
1 1 1  -16  -30    4 o   65.067   30.438  -7.1396  123.230  -7.1396  123.230   0.0000   0.0000   65.067   30.438  ?   ?  0.000000 30.43782 
1 1 1  -16  -30    5 o  104.786   21.252  166.448   53.707   59.505  129.708  188.577   59.003   72.227   32.850  110.958   22.071 -38.73056 39.57562 
1 1 1  -16  -30    6 o   60.815   21.304   55.224   39.950  110.296  127.097   49.187   42.083   77.193   33.983   58.586   21.686 18.60684 40.31278 
1 1 1  -16  -30    7 o   63.256   21.181   62.131   39.379   62.356  133.223   62.109   41.221   69.904   32.340   63.169   21.667 6.734776 38.92749 
1 1 1  -16  -30    8 o   38.698   17.150  -0.3606   32.903   0.0000   0.0000  -0.3606   32.903  ?   ?    38.698   17.150 0.000000 17.15017 
1 1 1  -16  -30    9 o   70.812   22.498   84.372   44.723   0.0000   0.0000   84.372   44.723  ?   ?    70.812   22.498 0.000000 22.49841 
1 1 1  -16  -30   10 o   88.892   23.195  136.376   52.034   0.0000   0.0000  136.376   52.034  ?   ?    88.892   23.195 0.000000 23.19544 
1 1 1  -16  -29    1 o   72.348   22.899   74.265   46.363   0.0000   0.0000   74.265   46.363  ?   ?    72.348   22.899 0.000000 22.89876 
1 1 1  -16  -29    2 o  164.927   17.948  370.874   72.725  347.095  144.771  378.900   84.107  137.160   39.879  164.287   20.980 -27.12740 45.06157 
1 1 1  -16  -29    3 o   91.539   21.650  122.280   48.713   90.836  125.489  127.859   52.858   82.722   35.059   92.901   22.925 -10.17937 41.88870 
1 1 1  -16  -29    4 o  184.208   18.844  473.677   85.463  258.511  157.217  563.929  101.821  109.654   41.635  198.879   20.810 -89.22523 46.54577 
1 1 1  -16  -29    5 o   56.150   27.068 -89.2136  113.162 -89.2136  113.162   0.0000   0.0000   56.150   27.068  ?   ?  0.000000 27.06786 
1 1 1  -16  -29    6 o   42.132   18.380   2.1609   36.440  261.658  122.695 -22.9426   38.162  112.075   37.387   37.112   17.218 74.96277 41.16126 
1 1 1  -16  -29    7 o   74.181   22.091   85.547   43.974   99.373  129.406   83.742   46.756   77.690   34.241   73.005   22.983 4.684883 41.23954 
1 1 1  -16  -29    8 o  121.069   21.042  222.447   61.308 -41.0527  137.560  287.761   68.486   62.143   29.928  138.653   20.389 -76.50986 36.21334 
1 1 1  -16  -29    9 o   32.694   15.349 -24.0312   31.817   0.0000   0.0000 -24.0312   31.817  ?   ?    32.694   15.349 0.000000 15.34870 
1 1 1  -16  -29   10 o   71.298   22.871   84.324   46.132   0.0000   0.0000   84.324   46.132  ?   ?    71.298   22.871 0.000000 22.87092 
1 1 1  -16  -29   11 o   64.933   22.346   69.802   43.863   0.0000   0.0000   69.802   43.863  ?   ?    64.933   22.346 0.000000 22.34644 
1 1 1  -16  -29   12 o   47.357   19.749   24.083   38.830   0.0000   0.0000   24.083   38.830  ?   ?    47.357   19.749 0.000000 19.74932 
1 1 1  -16  -28    1 o  122.736   20.209  206.549   59.783 -10.8153  123.061  273.695   68.397   71.674   32.357  141.823   19.857 -70.14950 37.96371 
1 1 1  -16  -28    2 o   85.556   22.130  104.175   47.637  104.298  119.256  104.152   51.963   88.633   35.492   85.089   23.619 3.544327 42.63305 
1 1 1  -16  -28    3 o   57.617   21.519   38.689   41.617   14.894  132.410   41.298   43.839   75.456   33.857   59.173   22.088 16.28369 40.42521 
1 1 1  -16  -28    4 o  131.095   19.403  238.148   61.600  116.087  126.553  276.048   70.518   89.038   36.236  140.349   20.746 -51.31166 41.75468 
1 1 1  -16  -28    5 o  127.061   19.117  225.135   58.778  242.707  128.210  220.459   66.138  114.104   38.218  123.512   22.262 -9.407654 44.22910 
1 1 1  -16  -28    6 o  131.109   20.579  245.836   65.159  -6.6791  130.792  329.195   75.148   69.265   32.044  152.267   20.267 -83.00158 37.91534 
1 1 1  -16  -28    7 o   71.124   22.733   75.756   45.609 -89.0254  119.748  103.716   49.326   57.856   27.879   82.414   23.060 -24.55730 36.18030 
1 1 1  -16  -28    8 f   46.383   19.152   16.816   36.003   90.853  123.799   9.9756   37.629   77.984   33.953   44.932   19.126 33.05242 38.96912 
1 1 1  -16  -28    9 o   90.118   21.573  124.536   47.903  154.444  130.813  119.905   51.478   86.188   36.120   87.060   23.243 -0.8718262 42.95224 
1 1 1  -16  -28   10 o  118.747   22.563  219.623   64.460   0.0000   0.0000  219.623   64.460  ?   ?   118.747   22.563 0.000000 22.56288 
1 1 1  -16  -28   11 o   52.039   20.769   32.679   40.689   0.0000   0.0000   32.679   40.689  ?   ?    52.039   20.769 0.000000 20.76869 
1 1 1  -16  -28   12 f   98.251   23.369  159.435   56.499   0.0000   0.0000  159.435   56.499  ?   ?    98.251   23.369 0.000000 23.36872 
1 1 1  -16  -28   13 o   43.336   18.710   11.125   36.971   0.0000   0.0000   11.125   36.971  ?   ?    43.336   18.710 0.000000 18.71027 
1 1 1  -16  -27    1 o   81.342   22.532   91.873   47.342   65.313  112.837   97.548   52.154   82.963   34.041   83.573   23.828 -0.6100388 41.55203 
1 1 1  -16  -27    2 o  219.483   17.780  636.388   96.612  574.355  162.898  670.047  119.993  194.420   34.832  222.170   21.914 -27.75003 41.15159 
1 1 1  -16  -27    3 o  115.263   20.621  182.797   57.175  147.560  124.760  192.165   64.328   99.444   37.235  117.101   22.818 -17.65697 43.67051 
1 1 1  -16  -27    4 o  124.203   22.321  216.277   66.686   0.0000   0.0000  216.277   66.686  ?   ?   124.203   22.321 0.000000 22.32132 
1 1 1  -16  -27    5 o   88.005   22.064  110.839   48.399   82.802  113.346  117.090   53.523   83.045   34.101   89.841   23.565 -6.796425 41.45126 
1 1 1  -16  -27    6 o  175.709   18.021  419.314   77.955  336.232  142.834  454.560   93.032  136.299   39.607  180.462   21.039 -44.16284 44.84788 
1 1 1  -16  -27    7 o   98.556   21.440  140.373   51.265  165.071  124.863  135.366   56.222   97.106   37.048   95.385   23.707 1.720245 43.98372 
1 1 1  -16  -27    8 o  131.542   40.203  343.279  144.269  343.279  144.269   0.0000   0.0000  131.542   40.203  ?   ?  0.000000 40.20295 
1 1 1  -16  -27    9 o  108.230   20.974  171.664   54.639  100.521  128.282  187.431   60.391   81.472   35.012  112.113   22.355 -30.64056 41.54038 
1 1 1  -16  -27   10 o   65.178   22.057   62.859   42.710   20.235  127.372   68.258   45.334   68.999   31.816   67.406   22.725 1.593689 39.09850 
1 1 1  -16  -27   11 o   82.102   22.200  105.107   46.609  142.242  133.152   99.921   49.757   83.986   35.870   79.172   23.481 4.814217 42.87152 
1 1 1  -16  -27   12 o  165.129   22.145  418.940   89.017   0.0000   0.0000  418.940   89.017  ?   ?   165.129   22.145 0.000000 22.14539 
1 1 1  -16  -27   13 o   70.852   23.179   82.125   47.244   0.0000   0.0000   82.125   47.244  ?   ?    70.852   23.179 0.000000 23.17895 
1 1 1  -16  -27   14 o   60.621   22.369   57.254   44.706   0.0000   0.0000   57.254   44.706  ?   ?    60.621   22.369 0.000000 22.36948 
1 1 1  -16  -26    1 o  131.947   18.845  231.012   60.330  204.588  115.682  240.883   70.707  117.097   36.036  133.442   21.984 -16.34484 42.21227 
1 1 1  -16  -26    2 o  100.638   21.490  138.765   52.365  261.512  117.017  108.030   58.555  131.740   34.982   87.978   25.300 43.76212 43.17216 
1 1 1  -16  -26    3 o  150.989   18.890  303.370   69.667   98.785  126.864  391.702   83.360   91.956   36.681  171.293   19.856 -79.33685 41.71062 
1 1 1  -16  -26    4 f   88.657   22.555  109.997   50.056 -17.4025  105.810  146.729   56.815   67.155   30.189  102.482   22.790 -35.32708 37.82524 
1 1 1  -16  -26    5 o  176.609   21.438  425.648   92.607   0.0000   0.0000  425.648   92.607  ?   ?   176.609   21.438 0.000000 21.43753 
1 1 1  -16  -26    6 o   94.546   21.533  125.819   49.702  174.734  113.054  114.100   55.337  104.682   35.884   88.989   24.243 15.69270 43.30574 
1 1 1  -16  -26    7 o   65.652   22.205   57.989   43.286   8.1743  110.227   67.071   47.067   70.062   31.202   69.743   23.151 0.3192444 38.85249 
1 1 1  -16  -26    8 o   94.301   21.840  127.969   50.419   71.964  116.118  140.981   55.970   80.310   33.863   98.339   23.172 -18.02824 41.03244 
1 1 1  -16  -26    9 o   73.296   32.233   38.643  114.087   38.643  114.087   0.0000   0.0000   73.296   32.233  ?   ?  0.000000 32.23320 
1 1 1  -16  -26   10 o   75.968   22.896   86.200   47.029 -75.2562  122.443  114.140   50.936   60.508   28.899   87.096   23.057 -26.58793 36.97051 
1 1 1  -16  -26   11 o   81.735   22.460  101.467   47.255   88.926  128.056  103.444   50.843   79.426   34.556   81.897   23.582 -2.471230 41.83555 
1 1 1  -16  -26   12 o   65.717   22.282   64.371   43.588   18.367  132.022   69.999   46.177   69.206   32.079   67.992   22.935 1.213844 39.43481 
1 1 1  -16  -26   13 o   55.961   21.749   39.972   43.598   0.0000   0.0000   39.972   43.598  ?   ?    55.961   21.749 0.000000 21.74912 
1 1 1  -16  -26   15 f   47.141   19.819   18.650   39.586   0.0000   0.0000   18.650   39.586  ?   ?    47.141   19.819 0.000000 19.81874 
1 1 1  -16  -25    1 o  122.586   34.871  219.435  111.830  219.435  111.830   0.0000   0.0000  122.586   34.871  ?   ?  0.000000 34.87111 
1 1 1  -16  -25    2 o  171.140   17.982  382.951   75.699  201.924  128.599  478.937   93.641  116.999   38.240  190.631   19.967 -73.63200 43.13916 
1 1 1  -16  -25    3 o  278.169   18.078  1008.57  124.893  968.748  193.755  1036.88  163.359  263.236   30.012  277.889   23.769 -14.65369 38.28436 
1 1 1  -16  -25    4 o  184.354   17.095  444.029   77.803  431.816  131.893  450.547   96.353  173.055   31.688  183.454   21.437 -10.39897 38.25752 
1 1 1  -16  -25    5 o  159.926   17.689  337.166   69.461  258.309  122.647  374.403   84.280  129.495   36.408  167.096   20.637 -37.60063 41.85000 
1 1 1  -16  -25    6 o  106.426   23.451  158.701   60.643   0.0000   0.0000  158.701   60.643  ?   ?   106.426   23.451 0.000000 23.45078 
1 1 1  -16  -25    7 o  169.763   17.876  383.533   74.644  256.559  133.657  441.087   89.985  124.922   38.782  180.614   20.303 -55.69241 43.77546 
1 1 1  -16  -25    8 o   76.127   22.661   81.609   46.282 -15.4453  107.199  103.844   51.310   66.670   30.139   85.208   23.399 -18.53801 38.15615 
1 1 1  -16  -25    9 o  164.558   17.658  364.582   71.429  421.903  136.395  342.921   83.846  161.816   34.789  156.487   22.069 5.329071 41.19812 
1 1 1  -16  -25   10 o   78.143   33.171   63.512  112.624   63.512  112.624   0.0000   0.0000   78.143   33.171  ?   ?  0.000000 33.17102 
1 1 1  -16  -25   11 o  125.129   19.933  220.767   60.194  145.887  126.361  242.747   68.461   92.690   36.723  129.859   21.890 -37.16900 42.75248 
1 1 1  -16  -25   12 o   71.325   23.891   75.390   50.102   0.0000   0.0000   75.390   50.102  ?   ?    71.325   23.891 0.000000 23.89098 
1 1 1  -16  -25   13 o   63.920   30.131 -30.6489  124.843 -30.6489  124.843   0.0000   0.0000   63.920   30.131  ?   ?  0.000000 30.13104 
1 1 1  -16  -25   14 o   54.782   21.629   35.297   43.694   0.0000   0.0000   35.297   43.694  ?   ?    54.782   21.629 0.000000 21.62931 
1 1 1  -16  -25   15 o   52.775   21.165   31.555   42.479   0.0000   0.0000   31.555   42.479  ?   ?    52.775   21.165 0.000000 21.16516 
1 1 1  -16  -25   16 o   57.953   22.160   47.056   44.737   0.0000   0.0000   47.056   44.737  ?   ?    57.953   22.160 0.000000 22.16039 
1 1 1  -16  -24    1 o  285.233   18.545  1053.63  131.375  808.046  196.294  1252.89  176.814  239.991   33.681  308.135   23.148 -68.14395 40.86868 
1 1 1  -16  -24    2 o   95.886   34.035  119.565  102.240  119.565  102.240   0.0000   0.0000   95.886   34.035  ?   ?  0.000000 34.03512 
1 1 1  -16  -24    3 o  256.431   18.008  853.040  114.587  693.587  176.741  968.665  150.503  221.690   32.926  270.577   22.478 -48.88652 39.86683 
1 1 1  -16  -24    4 o  110.820   20.615  165.123   54.948   59.439  101.896  208.458   65.249   81.289   32.717  124.376   21.803 -43.08665 39.31623 
1 1 1  -16  -24    5 o   66.494   23.106   54.498   46.951   42.760   99.359   57.872   53.275   76.946   31.798   69.123   24.565 7.822906 40.18146 
1 1 1  -16  -24    6 o   83.074   22.690   95.037   48.401  141.323  104.552   82.412   54.605  100.051   34.496   78.151   24.863 21.90002 42.52274 
1 1 1  -16  -24    7 o  208.405   21.789  584.093  111.718   0.0000   0.0000  584.093  111.718  ?   ?   208.405   21.789 0.000000 21.78872 
1 1 1  -16  -24    8 o   73.688   22.956   74.170   46.784 -40.6941  104.120  103.227   52.368   63.497   29.089   85.706   23.682 -22.20877 37.50979 
1 1 1  -16  -24    9 o   98.915   21.476  136.436   51.528   63.281  109.487  157.250   58.401   80.694   33.366  105.750   22.787 -25.05629 40.40446 
1 1 1  -16  -24   10 o   76.397   22.526   82.390   45.905  119.780  110.648   74.617   50.451   91.347   34.870   73.330   23.951 18.01717 42.30303 
1 1 1  -16  -24   12 o  123.079   38.684  276.889  132.521  276.889  132.521   0.0000   0.0000  123.079   38.684  ?   ?  0.000000 38.68431 
1 1 1  -16  -24   13 o  103.807   21.739  157.024   54.546  153.558  125.746  157.827   60.538   93.511   36.765  102.466   24.068 -8.955238 43.94265 
1 1 1  -16  -24   14 o  125.076   20.570  225.883   62.015  159.986  134.738  243.595   69.854   92.124   37.430  128.214   22.646 -36.08942 43.74691 
1 1 1  -16  -24   15 o   59.469   22.458   46.803   45.589   0.0000   0.0000   46.803   45.589  ?   ?    59.469   22.458 0.000000 22.45828 
1 1 1  -16  -24   16 f   67.933   23.581   70.894   48.896   0.0000   0.0000   70.894   48.896  ?   ?    67.933   23.581 0.000000 23.58138 
1 1 1  -16  -24   17 o  142.062   22.835  312.857   78.263   0.0000   0.0000  312.857   78.263  ?   ?   142.062   22.835 0.000000 22.83474 
1 1 1  -16  -23    1 o  371.602   20.568  1793.36  190.122  1580.95  276.262  1984.48  262.048  338.693   33.086  385.306   27.414 -46.61298 42.96752 
1 1 1  -16  -23    2 o  148.054   17.870  285.356   64.734  214.191  110.778  322.257   79.771  122.388   34.669  156.325   20.962 -33.93747 40.51374 
1 1 1  -16  -23    3 f  208.843   28.072  593.159  142.695  593.159  142.695   0.0000   0.0000  208.843   28.072  ?   ?  0.000000 28.07243 
1 1 1  -16  -23    4 o  134.561   18.838  238.039   61.566  168.901  104.630  274.654   76.143  109.331   34.375  143.516   21.943 -34.18497 40.78156 
1 1 1  -16  -23    5 o  169.346   17.412  372.918   72.584  260.159  119.983  438.003   91.156  133.378   35.425  182.395   20.361 -49.01700 40.85987 
1 1 1  -16  -23    6 o  124.875   19.310  206.888   58.273  166.951  105.975  224.197   69.767  108.071   34.664  128.833   22.505 -20.76161 41.32892 
1 1 1  -16  -23    7 o  139.257   18.113  255.337   61.497  288.853  113.614  241.448   73.137  140.857   32.896  133.432   22.767 7.425629 40.00548 
1 1 1  -16  -23    8 o  212.109   21.822  601.836  113.938   0.0000   0.0000  601.836  113.938  ?   ?   212.109   21.822 0.000000 21.82224 
1 1 1  -16  -23    9 o   78.404   22.890   84.684   47.607   75.005  105.041   87.186   53.408   83.722   33.383   79.590   24.484 4.132111 41.39935 
1 1 1  -16  -23   10 o   94.219   22.425  124.162   51.999   58.071  116.799  140.500   58.071   81.859   34.205   99.832   23.656 -17.97330 41.58800 
1 1 1  -16  -23   11 o   76.521   23.499   81.902   49.223   79.755  111.517   82.422   54.856   83.953   34.073   76.961   24.967 6.991989 42.24068 
1 1 1  -16  -23   12 o   83.760   34.669   79.672  118.377   79.672  118.377   0.0000   0.0000   83.760   34.669  ?   ?  0.000000 34.66858 
1 1 1  -16  -23   13 o  105.599   21.745  158.954   55.432  179.911  123.795  153.698   61.994  102.796   37.332  102.127   24.601 0.6691971 44.70880 
1 1 1  -16  -23   14 o  104.575   22.378  159.156   56.671   97.287  125.927  174.868   63.461   84.498   35.427  108.609   24.035 -24.11116 42.81049 
1 1 1  -16  -23   15 o  139.209   20.473  276.445   69.044   52.644  139.472  349.095   79.465   77.557   34.777  156.260   20.887 -78.70289 40.56784 
1 1 1  -16  -23   16 o   80.142   24.473  100.021   53.474   0.0000   0.0000  100.021   53.474  ?   ?    80.142   24.473 0.000000 24.47293 
1 1 1  -16  -23   17 o  168.706   22.463  427.059   92.281   0.0000   0.0000  427.059   92.281  ?   ?   168.706   22.463 0.000000 22.46254 
1 1 1  -16  -23   18 o  107.647   24.310  184.757   63.803   0.0000   0.0000  184.757   63.803  ?   ?   107.647   24.310 0.000000 24.30962 
1 1 1  -16  -23   19 o   75.622   24.513   94.702   52.890   0.0000   0.0000   94.702   52.890  ?   ?    75.622   24.513 0.000000 24.51322 
1 1 1  -16  -22    1 f  247.604   16.948  786.733  104.164  723.780  157.035  836.193  139.193  232.359   27.604  252.882   22.269 -20.52307 35.46647 
1 1 1  -16  -22    2 o  153.620   17.521  305.808   66.011  206.749  107.271  366.181   83.744  120.944   34.065  167.227   20.482 -46.28273 39.74883 
1 1 1  -16  -22    3 o  167.268   16.885  361.315   69.565  239.154  108.364  446.949   90.728  129.901   33.262  185.073   19.946 -55.17145 38.78413 
1 1 1  -16  -22    4 o  184.596   27.407  461.849  122.504  461.849  122.504   0.0000   0.0000  184.596   27.407  ?   ?  0.000000 27.40729 
1 1 1  -16  -22    5 o  142.062   17.781  263.091   61.696  298.298  104.455  244.227   76.458  146.530   29.566  134.709   23.588 11.82155 37.82270 
1 1 1  -16  -22    6 f   87.202   22.320  103.273   48.808   69.035   95.499  115.379   56.784   82.559   32.160   91.835   24.361 -9.276024 40.34514 
1 1 1  -16  -22    7 o  125.553   19.336  208.624   58.679  171.911  107.781  224.091   69.956  109.907   34.927  129.000   22.536 -19.09307 41.56696 
1 1 1  -16  -22    8 o  255.733   17.396  847.666  110.432  825.833  172.836  862.727  143.556  244.854   28.818  254.714   22.811 -9.860062 36.75359 
1 1 1  -16  -22    9 o   91.149   25.342  115.414   59.769   0.0000   0.0000  115.414   59.769  ?   ?    91.149   25.342 0.000000 25.34186 
1 1 1  -16  -22   10 o   85.872   23.668  102.219   52.385   5.0036  114.962  127.694   58.850   73.999   32.454   95.580   24.532 -21.58041 40.68287 
1 1 1  -16  -22   11 o   72.974   24.398   70.556   52.252  131.524  108.564   52.175   59.610   96.743   34.987   68.105   25.690 28.63821 43.40555 
1 1 1  -16  -22   12 o  207.115   17.400  566.410   89.161  598.841  151.859  549.349  110.145  201.809   31.135  200.484   22.383 1.325226 38.34536 
1 1 1  -16  -22   13 o   82.205   33.776   72.983  111.270   72.983  111.270   0.0000   0.0000   82.205   33.776  ?   ?  0.000000 33.77576 
1 1 1  -16  -22   14 o  249.390   18.076  835.600  111.811  892.114  185.378  803.285  140.179  241.585   31.476  238.428   23.864 3.156433 39.49977 
1 1 1  -16  -22   15 o   80.774   23.535   95.669   50.374   79.346  119.778   99.176   55.523   81.768   34.431   81.800   24.928 -0.3269958E-01 42.50739 
1 1 1  -16  -22   16 o   75.022   23.556   83.204   49.154   86.154  124.512   82.659   53.499   81.639   34.772   74.738   24.676 6.900772 42.63817 
1 1 1  -16  -22   17 o   71.483   24.292   76.116   51.807   0.0000   0.0000   76.116   51.807  ?   ?    71.483   24.292 0.000000 24.29239 
1 1 1  -16  -22   18 o   79.776   25.054  100.826   55.598   0.0000   0.0000  100.826   55.598  ?   ?    79.776   25.054 0.000000 25.05384 
1 1 1  -16  -22   19 o   53.400   22.010   27.824   47.438   0.0000   0.0000   27.824   47.438  ?   ?    53.400   22.010 0.000000 22.01023 
1 1 1  -16  -22   20 o   87.326   25.136  126.465   57.773   0.0000   0.0000  126.465   57.773  ?   ?    87.326   25.136 0.000000 25.13563 
1 1 1  -16  -21    1 o  193.312   21.423  487.996  101.676   0.0000   0.0000  487.996  101.676  ?   ?   193.312   21.423 0.000000 21.42264 
1 1 1  -16  -21    2 o  394.683   20.711  2014.70  203.409  1959.68  293.615  2065.48  282.061  381.108   31.123  393.290   28.923 -12.18277 42.48748 
1 1 1  -16  -21    3 o  229.078   16.209  672.105   92.124  685.208  138.416  661.685  123.434  227.610   24.752  224.816   22.280 2.794388 33.30215 
1 1 1  -16  -21    4 o  108.834   20.239  157.326   52.981  132.302   88.308  171.398   66.224   99.012   31.631  112.492   24.286 -13.48040 39.87891 
1 1 1  -16  -21    5 o   90.082   31.396  102.717   86.715  102.717   86.715   0.0000   0.0000   90.082   31.396  ?   ?  0.000000 31.39607 
1 1 1  -16  -21    6 o   75.291   22.774   74.978   46.467   20.009   86.145   97.534   55.183   69.648   29.256   85.036   24.592 -15.38806 38.21888 
1 1 1  -16  -21    7 o  239.317   17.269  738.440  102.509  620.787  157.598  824.720  134.960  212.305   30.611  250.707   21.773 -38.40192 37.56444 
1 1 1  -16  -21    8 o   65.178   22.942   50.462   46.361  -4.6135   93.707   68.313   53.348   67.303   29.414   73.389   24.652 -6.085762 38.37885 
1 1 1  -16  -21    9 o  144.372   22.419  279.275   78.203   0.0000   0.0000  279.275   78.203  ?   ?   144.372   22.419 0.000000 22.41873 
1 1 1  -16  -21   11 o  180.492   17.962  426.716   79.882  316.258  135.859  485.081   98.757  144.424   37.381  190.936   21.063 -46.51265 42.90636 
1 1 1  -16  -21   12 o  158.711   18.450  333.124   71.758  230.216  127.376  380.969   86.852  122.121   37.851  168.469   21.108 -46.34777 43.33918 
1 1 1  -16  -21   13 o  145.576   19.290  284.026   68.399  166.492  125.875  333.270   81.477  105.319   37.724  156.704   21.379 -51.38485 43.36087 
1 1 1  -16  -21   14 o  188.899   33.840  544.082  153.764  544.082  153.764   0.0000   0.0000  188.899   33.840  ?   ?  0.000000 33.83958 
1 1 1  -16  -21   15 o   83.950   23.848  101.393   52.341  161.267  118.565   86.901   58.332  100.789   36.545   78.306   25.762 22.48353 44.71316 
1 1 1  -16  -21   16 o  209.656   17.802  592.889   92.323  648.124  162.337  566.484  112.241  202.227   33.306  200.250   22.855 1.977371 40.39327 
1 1 1  -16  -21   17 o  137.638   20.198  266.097   67.356  165.184  138.806  297.177   77.033   97.072   38.480  144.049   22.122 -46.97746 44.38551 
1 1 1  -16  -21   18 o   91.737   25.116  129.916   59.221   0.0000   0.0000  129.916   59.221  ?   ?    91.737   25.116 0.000000 25.11614 
1 1 1  -16  -21   19 o  111.587   24.531  192.080   66.493   0.0000   0.0000  192.080   66.493  ?   ?   111.587   24.531 0.000000 24.53058 
1 1 1  -16  -21   20 o  140.460   23.499  301.225   79.512   0.0000   0.0000  301.225   79.512  ?   ?   140.460   23.499 0.000000 23.49879 
1 1 1  -16  -21   21 o   60.830   23.403   50.986   50.085   0.0000   0.0000   50.986   50.085  ?   ?    60.830   23.403 0.000000 23.40298 
1 1 1  -16  -20    1 o  120.234   13.440  184.992   39.662  110.241   91.728  202.181   43.986   93.553   32.309  125.571   14.281 -32.01736 35.32424 
1 1 1  -16  -20    2 o  132.592   22.703  233.361   72.467   0.0000   0.0000  233.361   72.467  ?   ?   132.592   22.703 0.000000 22.70295 
1 1 1  -16  -20    3 o  403.655   20.808  2105.06  209.030  2097.43  300.745  2112.19  290.735  395.255   30.711  397.731   29.482 -2.476166 42.57191 
1 1 1  -16  -20    4 o  129.590   17.806  218.461   56.100  189.511   89.471  237.216   72.015  116.976   30.364  133.697   22.360 -16.72178 37.70816 
1 1 1  -16  -20    5 o  245.407   16.352  771.026   99.636  787.304  149.991  758.171  133.295  244.086   24.959  240.758   22.429 3.327927 33.55588 
1 1 1  -16  -20    6 o  144.057   29.638  286.122  103.061  286.122  103.061   0.0000   0.0000  144.057   29.638  ?   ?  0.000000 29.63779 
1 1 1  -16  -20    7 o  235.767   16.789  714.012   98.199  694.990  150.068  728.256  129.862  227.728   26.909  235.632   22.337 -7.903946 34.97158 
1 1 1  -16  -20    8 o  260.464   23.280  893.781  149.824   0.0000   0.0000  893.781  149.824  ?   ?   260.464   23.280 0.000000 23.28003 
1 1 1  -16  -20    9 o  177.382   29.114  432.159  124.487  432.159  124.487   0.0000   0.0000  177.382   29.114  ?   ?  0.000000 29.11412 
1 1 1  -16  -20   10 o  152.793   17.933  304.450   67.123  298.250  115.981  307.572   82.307  144.598   32.865  151.853   22.376 -7.254776 39.75945 
1 1 1  -16  -20   11 o   80.777   25.455   87.234   57.339   0.0000   0.0000   87.234   57.339  ?   ?    80.777   25.455 0.000000 25.45478 
1 1 1  -16  -20   12 f   64.045   23.198   47.269   47.757   12.916  103.615   56.536   53.814   72.766   31.370   68.853   24.665 3.912827 39.90549 
1 1 1  -16  -20   13 o  173.179   17.858  393.560   76.122  387.989  133.938  396.219   92.515  162.263   34.136  171.632   22.099 -9.368668 40.66505 
1 1 1  -16  -20   14 f  301.414   18.717  1196.82  140.180  1242.25  216.192  1163.87  184.134  295.881   29.659  290.738   25.624 5.142578 39.19500 
1 1 1  -16  -20   15 o  192.806   18.253  493.747   86.838  471.390  146.046  505.974  108.003  175.820   34.496  191.948   22.990 -16.12875 41.45465 
1 1 1  -16  -20   16 o  101.054   23.101  145.191   57.026  220.733  123.709  124.807   64.261  115.771   37.486   92.355   26.488 23.41523 45.90004 
1 1 1  -16  -20   17 o  192.992   17.991  501.678   85.705  582.825  155.401  466.207  102.742  192.397   33.566  181.803   23.156 10.59329 40.77831 
1 1 1  -16  -20   18 f  119.921   20.893  203.368   60.293  370.654  136.838  163.067   67.164  145.666   37.420  103.871   25.964 41.79504 45.54543 
1 1 1  -16  -20   19 o  178.206   22.683  459.759   98.656   0.0000   0.0000  459.759   98.656  ?   ?   178.206   22.683 0.000000 22.68341 
1 1 1  -16  -20   20 f  220.801   23.958  727.029  129.983   0.0000   0.0000  727.029  129.983  ?   ?   220.801   23.958 0.000000 23.95837 
1 1 1  -16  -20   21 o  113.100   24.835  199.954   68.221   0.0000   0.0000  199.954   68.221  ?   ?   113.100   24.835 0.000000 24.83489 
1 1 1  -16  -20   22 o   96.945   25.977  154.286   64.159   0.0000   0.0000  154.286   64.159  ?   ?    96.945   25.977 0.000000 25.97696 
1 1 1  -16  -19    1 o  122.427   12.943  191.274   38.969  122.723   87.091  208.434   43.574   96.766   31.462  127.657   13.893 -30.89111 34.39264 
1 1 1  -16  -19    2 o  357.221   19.100  1637.37  169.762  1669.01  246.154  1608.68  234.434  355.291   27.970  349.381   27.082 5.910004 38.93284 
1 1 1  -16  -19    3 o  204.011   21.737  542.268  109.035   0.0000   0.0000  542.268  109.035  ?   ?   204.011   21.737 0.000000 21.73726 
1 1 1  -16  -19    4 o  269.236   16.892  926.999  112.997  864.839  164.944  981.968  155.112  255.827   26.188  274.509   22.835 -18.68134 34.74543 
1 1 1  -16  -19    5 o  283.812   17.358  1031.64  122.430  952.826  179.595  1100.07  167.339  267.868   27.227  290.256   23.283 -22.38846 35.82468 
1 1 1  -16  -19    6 o  478.930   23.597  2985.13  282.212  2972.94  404.247  2996.71  394.159  465.792   35.010  468.964   33.886 -3.172638 48.72305 
1 1 1  -16  -19    7 f  202.946   26.027  548.853  128.864  548.853  128.864   0.0000   0.0000  202.946   26.027  ?   ?  0.000000 26.02703 
1 1 1  -16  -19    8 o  196.204   16.427  494.426   79.745  568.959  125.862  444.440  103.073  207.070   24.836  183.510   22.997 23.56070 33.84820 
1 1 1  -16  -19    9 o   93.772   22.534  118.853   52.111   91.105   91.091  132.352   63.534   87.661   31.995   98.433   25.604 -10.77232 40.97857 
1 1 1  -16  -19   10 f  351.690   19.739  1602.42  172.658  1504.57  251.993  1689.00  237.042  332.384   30.707  355.692   26.886 -23.30814 40.81347 
1 1 1  -16  -19   11 o  285.827   17.891  1054.56  127.058  1028.39  191.500  1075.14  169.821  275.716   28.211  284.892   24.096 -9.176300 37.10100 
1 1 1  -16  -19   12 o  158.179   22.238  333.360   85.416   0.0000   0.0000  333.360   85.416  ?   ?   158.179   22.238 0.000000 22.23841 
1 1 1  -16  -19   13 o  136.030   19.390  244.784   64.003  213.003  119.572  257.545   75.771  120.337   36.562  138.216   22.745 -17.87871 43.05912 
1 1 1  -16  -19   14 o  116.135   21.406  182.567   59.793  132.965  115.036  200.929   69.991   99.266   35.997  120.867   24.035 -21.60098 43.28338 
1 1 1  -16  -19   15 o  120.495   20.781  196.607   60.271  156.553  118.330  210.639   70.037  104.012   36.648  123.539   23.562 -19.52739 43.56885 
1 1 1  -16  -19   16 o  190.906   18.006  482.027   84.825  520.100  146.193  462.705  104.150  187.594   32.377  183.715   23.220 3.878723 39.84325 
1 1 1  -16  -19   17 o   54.718   22.454   20.344   49.101   31.868  114.155   17.728   54.389   76.002   32.845   56.026   23.370 19.97588 40.31071 
1 1 1  -16  -19   18 o   64.110   23.412   51.125   48.784  173.974  118.926   26.272   53.491  103.399   36.707   57.572   23.509 45.82713 43.58974 
1 1 1  -16  -19   19 o  202.536   18.951  560.320   94.734  384.445  162.889  650.216  116.455  142.350   42.545  215.197   21.979 -72.84760 47.88703 
1 1 1  -16  -19   20 o  141.001   23.493  290.467   79.808   0.0000   0.0000  290.467   79.808  ?   ?   141.001   23.493 0.000000 23.49266 
1 1 1  -16  -19   21 o  111.661   24.947  190.858   67.808   0.0000   0.0000  190.858   67.808  ?   ?   111.661   24.947 0.000000 24.94693 
1 1 1  -16  -19   22 o  144.089   23.593  313.095   81.951   0.0000   0.0000  313.095   81.951  ?   ?   144.089   23.593 0.000000 23.59252 
1 1 1  -16  -19   23 o  153.317   23.696  359.697   87.797   0.0000   0.0000  359.697   87.797  ?   ?   153.317   23.696 0.000000 23.69580 
1 1 1  -16  -18    1 o  134.964   12.612  231.646   42.014  218.838   89.095  235.309   47.644  126.811   28.793  135.695   14.274 -8.884056 32.13685 
1 1 1  -16  -18    2 o  286.846   13.822  1040.00   99.006  952.046  180.422  1077.90  118.429  268.589   27.279  290.879   16.371 -22.29074 31.81376 
1 1 1  -16  -18    3 o  242.454   16.211  749.866   97.585  737.735  143.719  760.244  132.925  237.252   24.616  241.907   22.254 -4.654846 33.18418 
1 1 1  -16  -18    4 o  178.792   13.167  405.923   58.373   0.0000   0.0000  405.923   58.373  ?   ?   178.792   13.167 0.000000 13.16688 
1 1 1  -16  -18    5 o  186.786   12.142  441.875   56.330  390.269  110.855  459.837   65.402  170.814   26.876  190.157   13.869 -19.34244 30.24376 
1 1 1  -16  -18    6 o  334.385   18.226  1433.00  151.617  1539.99  220.987  1337.85  208.402  342.177   26.058  318.579   26.435 23.59778 37.11898 
1 1 1  -16  -18    7 o  310.395   25.054  1265.20  192.545   0.0000   0.0000  1265.20  192.545  ?   ?   310.395   25.054 0.000000 25.05433 
1 1 1  -16  -18    8 o  290.747   26.418  1118.73  189.714  1118.73  189.714   0.0000   0.0000  290.747   26.418  ?   ?  0.000000 26.41786 
1 1 1  -16  -18    9 o   85.211   22.669   97.622   49.079  118.224   85.815   87.607   59.830   94.787   31.250   81.894   26.023 12.89301 40.66644 
1 1 1  -16  -18   10 o  328.609   18.618  1390.53  152.151  1402.11  223.774  1380.57  207.494  323.954   27.935  322.874   25.954 1.079468 38.13087 
1 1 1  -16  -18   11 o  281.511   17.744  1019.81  124.102  962.164  185.333  1066.66  167.093  267.492   28.169  284.667   23.722 -17.17459 36.82666 
1 1 1  -16  -18   12 o  176.822   17.372  404.519   75.716  353.249  123.567  435.342   95.810  158.618   32.293  181.863   21.514 -23.24419 38.80339 
1 1 1  -16  -18   13 o   93.951   23.509  120.413   55.021  113.025  112.385  122.742   63.101   95.876   35.450   94.531   25.944 1.345131 43.92929 
1 1 1  -16  -18   14 o  117.859   21.192  186.378   60.079  154.243  113.656  198.839   70.775  105.445   35.980  120.632   24.334 -15.18723 43.43636 
1 1 1  -16  -18   15 o   86.930   24.099  103.977   54.133   37.807  107.155  126.651   62.726   78.140   32.716   95.406   25.736 -17.26575 41.62541 
1 1 1  -16  -18   16 o  310.800   19.194  1268.94  148.240  1228.83  225.262  1299.57  196.881  294.414   31.110  308.531   25.790 -14.11707 40.41034 
1 1 1  -16  -18   17 o  167.709   18.571  373.250   76.470  331.233  134.692  393.234   92.893  145.912   36.933  169.980   22.432 -24.06766 43.21137 
1 1 1  -16  -18   18 o  163.964   19.252  361.171   77.326  306.761  138.062  386.041   93.340  136.953   38.672  167.202   22.961 -30.24913 44.97469 
1 1 1  -16  -18   19 o  175.832   18.689  416.714   80.803  386.902  146.615  429.720   96.837  152.146   38.545  175.722   22.591 -23.57600 44.67709 
1 1 1  -16  -18   20 o  128.614   21.569  233.000   66.820  138.968  135.352  263.303   76.837   94.725   37.854  135.458   23.571 -40.73367 44.59299 
1 1 1  -16  -18   21 o  102.635   25.513  159.473   65.106   0.0000   0.0000  159.473   65.106  ?   ?   102.635   25.513 0.000000 25.51265 
1 1 1  -16  -18   22 o   94.661   25.902  139.514   63.005   0.0000   0.0000  139.514   63.005  ?   ?    94.661   25.902 0.000000 25.90157 
1 1 1  -16  -18   23 o   89.805   26.029  128.442   61.760   0.0000   0.0000  128.442   61.760  ?   ?    89.805   26.029 0.000000 26.02888 
1 1 1  -16  -18   24 o   48.820   21.320   6.8017   49.143   0.0000   0.0000   6.8017   49.143  ?   ?    48.820   21.320 0.000000 21.31973 
1 1 1  -16  -17    1 o  290.860   13.823  1068.21  100.402  961.565  181.545  1115.20  120.508  270.462   27.251  296.099   16.361 -25.63681 31.78556 
1 1 1  -16  -17    2 o  187.117   12.355  443.070   57.407  307.783  106.747  498.118   68.092  150.851   29.394  198.122   13.850 -47.27071 32.49350 
1 1 1  -16  -17    3 o  340.945   12.733  1466.02  108.406  1795.66  197.356  1323.58  129.730  373.473   21.249  323.001   16.084 50.47208 26.64968 
1 1 1  -16  -17    4 o  351.061   26.894  1617.78  233.975   0.0000   0.0000  1617.78  233.975  ?   ?   351.061   26.894 0.000000 26.89373 
1 1 1  -16  -17    5 o  255.712   14.807  830.804   94.147   0.0000   0.0000  830.804   94.147  ?   ?   255.712   14.807 0.000000 14.80698 
1 1 1  -16  -17    6 o  221.792   14.689  625.709   80.897   0.0000   0.0000  625.709   80.897  ?   ?   221.792   14.689 0.000000 14.68936 
1 1 1  -16  -17    7 o  301.468   26.127  1195.62  194.742  1195.62  194.742   0.0000   0.0000  301.468   26.127  ?   ?  0.000000 26.12672 
1 1 1  -16  -17    8 o  412.100   21.070  2192.21  216.108  2217.62  311.095  2168.52  300.429  407.024   30.836  403.143   30.058 3.881134 43.06240 
1 1 1  -16  -17    9 o  302.892   26.587  1212.30  199.062  1212.30  199.062   0.0000   0.0000  302.892   26.587  ?   ?  0.000000 26.58679 
1 1 1  -16  -17   10 o   45.053   19.638  -6.0953   41.522 -66.3000   76.271   19.264   49.501   51.468   24.034   56.078   22.721 -4.610405 33.07370 
1 1 1  -16  -17   11 o  255.589   16.845  837.240  106.910  867.400  161.662  813.797  142.527  255.947   25.638  249.142   23.174 6.805054 34.55954 
1 1 1  -16  -17   12 o  191.011   16.718  469.340   78.939  476.407  124.973  464.648  101.823  187.996   27.428  188.025   22.108 -0.2914429E-01 35.22880 
1 1 1  -16  -17   13 o  174.869   16.970  394.722   73.174  431.065  121.325  373.945   91.737  178.016   28.235  168.154   22.404 9.861725 36.04358 
1 1 1  -16  -17   14 o  217.473   17.768  611.465   95.650  530.507  155.012  661.243  121.550  194.556   33.091  224.224   21.991 -29.66737 39.73158 
1 1 1  -16  -17   15 o  121.654   21.446  198.246   62.770   85.252  113.881  247.557   75.230   89.763   35.077  135.635   23.035 -45.87166 41.96428 
1 1 1  -16  -17   16 o  302.074   19.018  1189.47  142.730  1104.87  216.851  1254.13  189.586  281.188   31.420  305.561   25.067 -24.37283 40.19390 
1 1 1  -16  -17   17 o  108.652   22.659  161.923   59.488  138.367  114.078  170.721   69.717  100.215   35.911  110.418   25.756 -10.20249 44.19267 
1 1 1  -16  -17   18 o  157.230   18.925  328.579   72.814  343.298  129.893  321.835   87.928  150.476   35.195  153.020   23.783 -2.544342 42.47700 
1 1 1  -16  -17   19 o   88.177   25.194  110.712   58.243  130.693  119.803  104.527   66.649   96.366   36.403   85.846   27.485 10.51992 45.61396 
1 1 1  -16  -17   20 o  105.429   23.245  158.036   59.551  111.692  122.743  172.303   68.103   91.112   36.163  108.980   25.481 -17.86768 44.23858 
1 1 1  -16  -17   21 o   58.629   23.090   34.788   49.675   34.488  122.185   34.847   54.372   76.229   33.444   60.044   23.993 16.18571 41.16059 
1 1 1  -16  -17   22 o   57.057   23.293   28.340   52.493   0.0000   0.0000   28.340   52.493  ?   ?    57.057   23.293 0.000000 23.29254 
1 1 1  -16  -17   23 o   54.319   22.593   22.484   50.627   0.0000   0.0000   22.484   50.627  ?   ?    54.319   22.593 0.000000 22.59309 
1 1 1  -16  -17   24 o   95.860   26.359  145.993   65.063   0.0000   0.0000  145.993   65.063  ?   ?    95.860   26.359 0.000000 26.35913 
1 1 1  -16  -17   25 o   98.984   26.079  157.509   65.364   0.0000   0.0000  157.509   65.364  ?   ?    98.984   26.079 0.000000 26.07890 
1 1 1  -16  -16    1 o  269.042   13.550  915.182   90.744  757.624  162.964  985.991  109.248  239.906   27.712  278.678   15.763 -38.77213 31.88127 
1 1 1  -16  -16    2 o  129.469   12.618  213.128   40.277  124.832   78.311  244.886   46.966   97.090   29.609  138.647   13.746 -41.55647 32.64412 
1 1 1  -16  -16    3 o  373.929   15.980  1771.82  149.212  1573.19  262.552  1866.58  181.344  344.377   30.858  382.647   18.978 -38.27042 36.22649 
1 1 1  -16  -16    4 o  289.687   13.545  1059.33   97.985  1055.73  176.789  1060.93  117.720  284.454   25.147  288.735   16.394 -4.280701 30.01932 
1 1 1  -16  -16    5 o  165.052   21.276  354.853   85.651   0.0000   0.0000  354.853   85.651  ?   ?   165.052   21.276 0.000000 21.27614 
1 1 1  -16  -16    6 o  320.165   17.945  1309.84  142.891  1337.68  207.745  1284.85  196.851  319.457   26.275  313.556   25.357 5.901215 36.51509 
1 1 1  -16  -16    7 o  152.137   12.069  293.513   45.474  248.815   92.812  307.633   52.164  135.408   28.357  155.466   13.573 -20.05737 31.43763 
1 1 1  -16  -16    8 f  245.629   12.601  763.249   77.033  805.489  145.831  746.902   90.723  248.320   23.809  242.301   15.069 6.019836 28.17689 
1 1 1  -16  -16    9 o  196.884   11.885  490.412   58.158  475.133  115.738  495.574   67.268  189.608   25.058  197.494   13.725 -7.885971 28.57029 
1 1 1  -16  -16   10 o  247.516   25.228  806.388  153.751  806.388  153.751   0.0000   0.0000  247.516   25.228  ?   ?  0.000000 25.22776 
1 1 1  -16  -16   11 o  170.249   16.991  372.964   71.272  235.700  109.219  474.765   94.058  129.771   33.481  191.272   19.987 -61.50150 38.99313 
1 1 1  -16  -16   12 o   56.411   21.995   26.739   44.700  -7.4097   82.335   41.011   53.227   63.354   27.633   64.240   24.265 -0.8862877 36.77484 
1 1 1  -16  -16   13 o  171.478   17.023  379.032   71.930  405.041  117.204  363.316   91.106  172.944   28.103  165.914   22.576 7.030060 36.04797 
1 1 1  -16  -16   14 o  346.018   19.157  1545.17  164.887  1614.87  243.373  1486.03  224.178  347.226   28.314  333.946   27.116 13.28021 39.20470 
1 1 1  -16  -16   15 o  204.295   17.881  539.728   90.303  466.109  148.790  582.658  113.622  181.858   34.014  210.547   21.932 -28.68918 40.47194 
1 1 1  -16  -16   16 o  345.385   19.467  1548.66  167.217  1621.19  250.316  1490.21  224.712  345.264   29.310  332.762   27.282 12.50217 40.04210 
1 1 1  -16  -16   17 o  152.031   18.816  303.564   69.909  353.267  123.801  280.295   84.707  157.225   32.602  143.623   24.497 13.60187 40.77970 
1 1 1  -16  -16   18 o  159.112   18.917  333.864   73.690  280.361  129.215  359.652   89.708  136.301   37.010  163.462   22.580 -27.16057 43.35381 
1 1 1  -16  -16   19 o   69.536   24.258   60.975   51.774 -13.8321  108.054   83.267   58.986   69.001   30.799   78.643   25.908 -9.641869 40.24658 
1 1 1  -16  -16   20 o  130.891   22.171  235.745   69.882  178.817  128.054  259.889   83.395  107.824   38.110  135.630   25.560 -27.80672 45.88742 
1 1 1  -16  -16   21 o   78.187   24.638   86.021   53.719   90.699  121.252   84.878   59.921   87.238   35.483   78.093   26.128 9.144402 44.06433 
1 1 1  -16  -16   22 f   61.815   23.552   43.742   50.416   11.002  122.768   50.383   55.294   73.287   32.762   65.124   24.700 8.163155 41.02966 
1 1 1  -16  -16   23 o  128.471   21.438  233.900   66.352  200.213  139.556  243.739   75.422  105.165   39.380  129.113   24.284 -23.94809 46.26551 
1 1 1  -16  -16   24 o   77.202   26.096   89.359   59.781   0.0000   0.0000   89.359   59.781  ?   ?    77.202   26.096 0.000000 26.09578 
1 1 1  -16  -16   25 o   90.486   26.810  130.373   64.891   0.0000   0.0000  130.373   64.891  ?   ?    90.486   26.810 0.000000 26.80994 
1 1 1  -16  -16   26 o  127.849   25.671  255.319   79.110   0.0000   0.0000  255.319   79.110  ?   ?   127.849   25.671 0.000000 25.67071 
1 1 1  -16  -15    1 o  426.293   17.488  2304.89  186.164  2006.55  325.477  2449.95  226.954  388.291   33.907  438.117   20.744 -49.82571 39.74931 
1 1 1  -16  -15    2 o  168.948   12.200  361.033   51.125  204.575   93.805  427.147   60.978  122.646   30.700  183.613   13.391 -60.96694 33.49346 
1 1 1  -16  -15    3 o  303.115   14.039  1159.55  106.268  1048.10  188.426  1211.54  128.686  283.018   26.988  308.705   16.756 -25.68634 31.76641 
1 1 1  -16  -15    4 o  189.631   12.282  454.649   57.849  384.832  108.054  482.700   68.491  170.552   26.209  195.026   14.160 -24.47365 29.78985 
1 1 1  -16  -15    5 o  371.078   15.659  1743.75  145.102  1725.65  257.607  1752.17  175.609  362.229   28.714  370.269   19.057 -8.039520 34.46268 
1 1 1  -16  -15    6 o  319.158   25.380  1328.02  200.609   0.0000   0.0000  1328.02  200.609  ?   ?   319.158   25.380 0.000000 25.38021 
1 1 1  -16  -15    7 o  321.957   13.872  1309.55  111.527  1368.51  201.445  1283.49  133.924  323.997   25.094  317.396   16.958 6.601349 30.28669 
1 1 1  -16  -15    8 f  151.414   11.232  290.087   42.165  403.530   90.940  259.020   47.590  176.165   21.091  142.590   13.527 33.57574 25.05646 
1 1 1  -16  -15    9 o  105.395   13.280  142.417   34.176   57.313   78.319  162.435   37.983   76.692   29.322  112.554   13.803 -35.86137 32.40854 
1 1 1  -16  -15   10 o  292.837   13.902  1084.52  101.664  1001.90  185.766  1119.84  121.470  275.319   27.383  296.374   16.478 -21.05502 31.95827 
1 1 1  -16  -15   11 o  284.147   15.498  1027.63  109.556  1262.60  168.827  856.715  143.991  312.257   21.788  256.538   22.711 55.71854 31.47236 
1 1 1  -16  -15   12 f  171.015   11.658  370.349   49.487  457.562  106.974  346.603   55.819  186.520   23.488  164.975   13.672 21.54434 27.17733 
1 1 1  -16  -15   13 o  154.642   17.310  308.721   65.700  334.297  106.075  292.804   83.684  157.132   28.063  148.610   23.317 8.522095 36.48594 
1 1 1  -16  -15   14 o  241.195   16.904  745.798  101.169  777.585  154.162  721.752  134.080  242.193   25.891  234.597   23.191 7.595779 34.75842 
1 1 1  -16  -15   15 o  331.622   18.810  1416.72  155.126  1481.04  229.495  1362.62  210.496  333.125   27.843  320.387   26.549 12.73773 38.47190 
1 1 1  -16  -15   16 o  198.549   22.445  519.280  109.333   0.0000   0.0000  519.280  109.333  ?   ?   198.549   22.445 0.000000 22.44537 
1 1 1  -16  -15   17 o  100.185   23.209  136.500   56.925  184.687  109.915  118.838   66.545  114.055   35.130   93.174   27.022 20.88110 44.32082 
1 1 1  -16  -15   18 o  304.060   18.823  1201.16  142.217  1175.06  214.982  1221.47  189.644  292.341   29.868  301.906   25.390 -9.565674 39.20151 
1 1 1  -16  -15   19 o  117.172   22.372  186.647   63.072  157.135  119.940  197.928   74.152  105.632   36.918  119.390   25.637 -13.75723 44.94679 
1 1 1  -16  -15   20 o  257.486   18.330  869.595  117.089  856.472  184.055  878.517  151.758  245.378   30.710  254.394   24.179 -9.015991 39.08631 
1 1 1  -16  -15   21 o   94.376   25.757  127.103   62.398  130.421  120.920  125.899   72.846   96.970   36.587   93.445   28.569 3.524452 46.41949 
1 1 1  -16  -15   22 o   60.733   23.656   37.496   51.664   21.590  121.405   41.014   57.092   75.953   33.330   63.375   24.816 12.57800 41.55391 
1 1 1  -16  -15   23 o   60.505   23.593   38.586   51.432   0.0484  120.512   47.169   56.872   71.490   32.170   64.577   24.912 6.912888 40.68814 
1 1 1  -16  -15   24 f   69.672   24.794   66.259   54.291 -42.4697  131.254   88.701   59.632   67.682   31.579   77.943   26.065 -10.26079 40.94626 
1 1 1  -16  -15   25 o   39.500   18.695 -45.4200   48.946   0.0000   0.0000 -45.4200   48.946  ?   ?    39.500   18.695 0.000000 18.69478 
1 1 1  -16  -15   26 o  102.686   27.111  167.368   70.544   0.0000   0.0000  167.368   70.544  ?   ?   102.686   27.111 0.000000 27.11104 
1 1 1  -16  -15   27 o   79.451   26.782  100.378   62.967   0.0000   0.0000  100.378   62.967  ?   ?    79.451   26.782 0.000000 26.78239 
1 1 1  -16  -14    1 o  359.956   19.419  1651.57  173.906  1351.85  249.295  1935.68  242.716  320.135   31.596  387.111   25.246 -66.97595 40.44357 
1 1 1  -16  -14    2 o  329.213   14.745  1367.82  121.219  1208.56  213.052  1444.06  147.404  303.936   28.400  337.073   17.573 -33.13660 33.39692 
1 1 1  -16  -14    3 o  274.221   12.742  946.711   87.256  1002.47  156.427  921.524  105.131  278.863   22.659  269.538   15.687 9.324921 27.55933 
1 1 1  -16  -14    4 o  233.751   14.720  692.658   85.483   0.0000   0.0000  692.658   85.483  ?   ?   233.751   14.720 0.000000 14.71979 
1 1 1  -16  -14    5 o  376.723   28.479  1859.28  265.937  1859.28  265.937   0.0000   0.0000  376.723   28.479  ?   ?  0.000000 28.47898 
1 1 1  -16  -14    6 o  300.617   13.508  1139.94  101.406  1074.18  181.508  1169.78  122.268  287.064   25.588  303.442   16.194 -16.37842 30.28238 
1 1 1  -16  -14    7 o  170.468   21.347  377.699   88.879   0.0000   0.0000  377.699   88.879  ?   ?   170.468   21.347 0.000000 21.34681 
1 1 1  -16  -14    8 o  311.992   13.434  1228.47  104.661  1337.69  190.047  1180.93  125.388  321.099   23.872  304.631   16.545 16.46857 29.04484 
1 1 1  -16  -14    9 o  144.606   12.462  265.479   44.560  203.306   90.613  285.311   51.176  121.971   29.965  149.667   13.850 -27.69507 33.01122 
1 1 1  -16  -14   10 o  309.302   13.184  1207.65  101.835  1347.46  186.483  1148.24  121.561  322.247   23.332  300.329   16.269 21.91757 28.44406 
1 1 1  -16  -14   11 o  195.126   11.758  481.352   57.027  585.150  114.660  447.237   65.733  212.160   21.960  187.534   14.140 24.62563 26.11878 
1 1 1  -16  -14   12 o  142.007   14.754  258.076   51.556  285.818   94.110  246.180   61.626  145.822   26.833  137.739   18.375 8.082657 32.52153 
1 1 1  -16  -14   13 o  100.222   13.630  129.261   33.228  213.683   85.853  114.387   36.037  125.181   28.148   93.649   15.983 31.53220 32.36905 
1 1 1  -16  -14   14 f  170.001   12.254  366.571   51.674  305.092  110.475  383.788   58.464  149.011   30.710  173.662   13.590 -24.65146 33.58277 
1 1 1  -16  -14   15 o  408.787   21.240  2162.49  216.074  2197.33  313.005  2130.76  298.651  403.954   31.273  398.715   30.220 5.239777 43.48815 
1 1 1  -16  -14   16 o  193.156   17.212  480.237   82.151  485.319  131.727  477.002  105.093  189.339   28.765  190.510   22.527 -1.170654 36.53605 
1 1 1  -16  -14   17 o   80.267   26.450   82.907   61.479   0.0000   0.0000   82.907   61.479  ?   ?    80.267   26.450 0.000000 26.45009 
1 1 1  -16  -14   18 o   78.735   24.685   81.785   54.000   8.5314  102.715  109.765   63.481   72.657   31.278   89.889   26.486 -17.23200 40.98587 
1 1 1  -16  -14   19 f  286.880   18.410  1067.05  131.195  1058.22  200.648  1073.64  173.396  278.017   29.344  283.634   24.728 -5.617249 38.37433 
1 1 1  -16  -14   20 o  123.120   21.868  204.741   64.770  205.450  118.531  204.439   77.337  117.953   36.506  121.177   26.311 -3.223953 44.99990 
1 1 1  -16  -14   21 o  305.144   19.234  1224.44  145.811  1201.56  222.315  1241.72  193.161  290.883   31.087  301.220   25.932 -10.33728 40.48306 
1 1 1  -16  -14   22 o   81.789   25.886   92.948   59.248  180.430  117.968   63.438   68.516  108.712   36.659   73.335   27.567 35.37759 45.86710 
1 1 1  -16  -14   23 o  196.687   18.183  515.474   88.299  644.203  157.781  456.774  106.546  208.288   31.303  180.824   24.203 27.46420 39.56820 
1 1 1  -16  -14   24 o  153.782   20.061  324.220   75.202  380.030  146.843  304.379   87.556  149.359   38.962  145.528   24.993 3.831863 46.28955 
1 1 1  -16  -14   25 o   80.959   25.463   96.713   57.404   7.1511  133.377  117.075   63.595   73.880   33.488   88.091   26.642 -14.21152 42.79313 
1 1 1  -16  -14   26 o  153.249   24.278  344.925   89.814   0.0000   0.0000  344.925   89.814  ?   ?   153.249   24.278 0.000000 24.27834 
1 1 1  -16  -14   27 o   62.594   24.937   45.122   58.563   0.0000   0.0000   45.122   58.563  ?   ?    62.594   24.937 0.000000 24.93677 
1 1 1  -16  -14   28 o   70.420   26.091   72.445   60.941   0.0000   0.0000   72.445   60.941  ?   ?    70.420   26.091 0.000000 26.09107 
1 1 1  -16  -13    1 o  163.202   13.522  337.496   54.610  382.815   86.001  306.877   70.690  172.390   20.371  154.507   18.702 17.88300 27.65446 
1 1 1  -16  -13    2 o  174.436   14.249  385.937   61.527  321.927   94.632  432.809   80.979  156.551   25.051  184.016   17.847 -27.46513 30.75828 
1 1 1  -16  -13    3 o  167.135   11.426  352.558   47.404  378.927   92.081  343.050   55.294  170.918   22.091  164.489   13.583 6.429337 25.93281 
1 1 1  -16  -13    4 o   76.964   20.873   78.052   41.131   74.683   60.756   80.901   55.885   78.184   26.308   79.613   25.134 -1.428795 36.38488 
1 1 1  -16  -13    5 o  454.866   18.230  2627.28  207.073  2421.37  361.818  2727.58  252.517  426.634   34.250  461.761   21.899 -35.12701 40.65248 
1 1 1  -16  -13    6 o  195.143   11.860  480.730   57.519  493.641  107.632  475.569   68.052  195.055   22.510  193.635   14.172 1.419266 26.60003 
1 1 1  -16  -13    7 o  198.400   10.596  495.875   52.308  674.208  102.250  432.663   60.877  229.692   17.970  184.799   13.280 44.89246 22.34447 
1 1 1  -16  -13    8 o  175.205   21.207  398.234   90.897   0.0000   0.0000  398.234   90.897  ?   ?   175.205   21.207 0.000000 21.20741 
1 1 1  -16  -13    9 o  124.980   11.413  198.104   35.226  294.210   78.527  173.892   39.414  150.081   21.573  116.581   13.807 33.50004 25.61290 
1 1 1  -16  -13   10 o  117.046   12.043  174.314   34.697  238.610   78.578  158.742   38.671  133.990   24.383  111.204   14.254 22.78583 28.24313 
1 1 1  -16  -13   11 o  136.610   12.524  237.186   42.250  230.416   88.996  239.156   48.005  130.420   28.151  136.829   14.259 -6.409546 31.55624 
1 1 1  -16  -13   12 o  261.874   12.409  864.617   81.146  995.424  153.574  813.953   95.577  277.173   22.379  253.042   15.196 24.13161 27.05043 
1 1 1  -16  -13   13 o  158.028   14.766  318.872   57.594  335.859  101.565  310.820   69.924  158.531   26.597  155.056   18.419 3.475937 32.35253 
1 1 1  -16  -13   14 o  151.127   11.902  289.623   44.552  361.042   99.694  271.801   49.801  164.996   24.977  145.976   13.827 19.02048 28.54894 
1 1 1  -16  -13   15 o  113.104   14.177  164.392   39.163   92.466   92.553  180.079   43.223   88.944   32.283  118.273   14.970 -29.32919 35.58472 
1 1 1  -16  -13   16 o  245.039   12.471  760.158   76.060  845.201  150.040  730.745   88.238  253.903   23.947  239.559   14.823 14.34473 28.16328 
1 1 1  -16  -13   17 o  209.042   13.325  555.241   69.195  406.689  140.258  603.027   79.549  170.567   34.121  217.474   14.735 -46.90729 37.16658 
1 1 1  -16  -13   18 o  322.650   26.230  1380.98  209.506   0.0000   0.0000  1380.98  209.506  ?   ?   322.650   26.230 0.000000 26.22957 
1 1 1  -16  -13   19 o  118.700   22.131  188.839   63.186  144.686  114.145  208.346   75.871  104.089   36.035  123.652   25.420 -19.56272 44.09941 
1 1 1  -16  -13   20 o  182.143   17.912  431.242   80.418  563.569  137.687  362.727   99.074  203.247   27.861  163.865   25.003 39.38226 37.43556 
1 1 1  -16  -13   21 o  359.289   20.675  1695.59  184.720  1618.60  274.133  1759.62  249.999  338.701   32.823  358.647   28.140 -19.94611 43.23423 
1 1 1  -16  -13   22 o  264.083   18.348  913.440  120.248  978.584  189.342  869.405  155.673  264.356   29.168  252.668   25.000 11.68742 38.41569 
1 1 1  -16  -13   23 o   55.443   23.297   13.394   54.651   64.446  115.262  -1.4112   62.071   83.142   34.294   55.022   23.996 28.12090 41.85529 
1 1 1  -16  -13   24 o  151.761   20.004  312.272   73.963  377.524  140.440  287.227   87.008  153.603   37.043  142.141   25.447 11.46182 44.94170 
1 1 1  -16  -13   25 o  192.669   18.895  501.774   89.738  590.460  162.725  463.016  107.575  192.926   35.068  180.531   24.495 12.39429 42.77578 
1 1 1  -16  -13   26 o  192.457   23.913  530.641  112.450   0.0000   0.0000  530.641  112.450  ?   ?   192.457   23.913 0.000000 23.91341 
1 1 1  -16  -13   27 o   50.298   22.221  -1.8433   54.813   0.0000   0.0000  -1.8433   54.813  ?   ?    50.298   22.221 0.000000 22.22081 
1 1 1  -16  -13   28 o   47.811   21.703 -15.4976   56.276   0.0000   0.0000 -15.4976   56.276  ?   ?    47.811   21.703 0.000000 21.70346 
1 1 1  -16  -12    1 o  267.158   13.085  897.400   87.293  815.532  154.757  935.603  105.717  251.237   24.999  271.947   15.633 -20.70961 29.48442 
1 1 1  -16  -12    2 o  397.217   19.831  2002.88  196.712  1954.16  281.875  2049.15  274.652  387.617   29.338  397.761   27.826 -10.14371 40.43547 
1 1 1  -16  -12    3 o  264.875   12.525  882.050   82.846  992.474  148.919  832.558   99.698  278.304   21.597  256.383   15.647 21.92148 26.66952 
1 1 1  -16  -12    4 o  308.824   13.949  1201.44  107.571  1135.89  189.892  1232.41  130.537  296.054   25.947  311.716   16.832 -15.66211 30.92843 
1 1 1  -16  -12    5 o  318.112   12.889  1273.54  102.386  1416.18  182.919  1208.46  123.554  332.214   22.176  308.800   16.078 23.41394 27.39160 
1 1 1  -16  -12    6 o  384.364   16.008  1868.09  153.645  1770.88  269.937  1914.67  186.870  367.623   29.657  388.028   19.285 -20.40491 35.37560 
1 1 1  -16  -12    7 o   96.820   12.773  120.017   30.128  188.198   67.063  102.776   33.723  119.187   23.367   88.882   15.771 30.30434 28.19157 
1 1 1  -16  -12    8 o  370.236   14.219  1729.93  131.460  2019.28  234.889  1597.96  158.632  395.527   23.894  354.271   17.990 41.25534 29.90885 
1 1 1  -16  -12    9 o  228.861   21.970  676.973  124.016   0.0000   0.0000  676.973  124.016  ?   ?   228.861   21.970 0.000000 21.96982 
1 1 1  -16  -12   10 o   86.401   14.293   96.703   29.759  115.126   70.514   92.710   32.826   93.279   28.018   84.177   16.204 9.102234 32.36659 
1 1 1  -16  -12   11 o  115.131   13.221  169.321   37.320  149.580   81.636  174.536   41.961  105.218   29.746  116.602   14.740 -11.38352 33.19811 
1 1 1  -16  -12   12 o  257.221   12.536  833.938   80.525  990.438  150.877  771.604   95.220  276.833   22.007  246.330   15.560 30.50357 26.95164 
1 1 1  -16  -12   13 o  166.017   11.912  348.892   49.057  394.139  101.337  335.044   56.064  173.109   24.096  162.253   13.973 10.85698 27.85404 
1 1 1  -16  -12   14 o  241.623   16.096  744.097   96.562  665.540  147.726  802.700  127.592  224.381   26.901  249.389   20.674 -25.00775 33.92764 
1 1 1  -16  -12   15 o  163.912   11.967  340.380   48.644  408.739  105.583  321.960   54.808  175.920   24.716  158.977   13.947 16.94342 28.37928 
1 1 1  -16  -12   16 o  446.508   18.100  2545.26  201.822  2434.06  358.664  2596.79  244.141  423.817   34.180  448.797   21.784 -24.98065 40.53145 
1 1 1  -16  -12   17 o  272.716   13.927  943.918   94.531  893.225  179.653  963.327  111.164  258.882   28.248  274.706   16.277 -15.82394 32.60218 
1 1 1  -16  -12   18 o  554.268   21.043  3964.35  291.255  4125.41  515.543  3888.85  352.982  544.700   38.142  544.371   25.966 0.3284302 46.14183 
1 1 1  -16  -12   19 o  122.776   25.967  205.049   77.126   0.0000   0.0000  205.049   77.126  ?   ?   122.776   25.967 0.000000 25.96680 
1 1 1  -16  -12   20 o  209.580   12.619  558.097   65.737  544.789  143.824  561.612   73.909  199.522   29.778  209.762   14.193 -10.24046 32.98739 
1 1 1  -16  -12   21 o  272.729   18.283  963.394  123.794  974.229  191.199  955.573  162.439  267.115   29.137  267.810   24.563 -0.6954041 38.10874 
1 1 1  -16  -12   22 o  128.565   21.614  222.286   66.929  238.405  121.758  215.307   80.118  126.662   36.500  124.391   26.598 2.271332 45.16263 
1 1 1  -16  -12   23 o  291.754   19.144  1118.39  138.700  1125.66  212.702  1113.01  182.947  282.142   30.684  285.236   25.969 -3.094391 40.19820 
1 1 1  -16  -12   24 o   80.109   25.929   88.233   59.191 -40.0898  116.825  132.552   68.656   67.547   30.896   96.063   27.322 -28.51645 41.24347 
1 1 1  -16  -12   25 o  119.234   23.047  199.335   66.140  224.189  133.139  191.193   76.208  116.846   38.944  114.488   27.080 2.358170 47.43384 
1 1 1  -16  -12   26 o  239.185   19.085  772.462  113.043  775.985  190.001  770.532  140.643  220.858   35.666  233.384   24.498 -12.52580 43.26847 
1 1 1  -16  -12   27 o   87.244   27.614  115.118   67.423   0.0000   0.0000  115.118   67.423  ?   ?    87.244   27.614 0.000000 27.61422 
1 1 1  -16  -12   28 o   62.946   25.245   42.302   60.436   0.0000   0.0000   42.302   60.436  ?   ?    62.946   25.245 0.000000 25.24519 
1 1 1  -16  -12   29 o   70.487   26.952   67.652   66.176   0.0000   0.0000   67.652   66.176  ?   ?    70.487   26.952 0.000000 26.95249 
1 1 1  -16  -12   30 o   66.423   26.065   57.572   63.091   0.0000   0.0000   57.572   63.091  ?   ?    66.423   26.065 0.000000 26.06523 
1 1 1  -16  -11    1 o  425.376   17.170  2284.39  182.391  2087.87  317.891  2380.83  222.692  400.092   32.088  433.222   20.585 -33.12982 38.12269 
1 1 1  -16  -11    2 o  416.900   19.508  2202.41  203.094   0.0000   0.0000  2202.41  203.094  ?   ?   416.900   19.508 0.000000 19.50805 
1 1 1  -16  -11    3 o  418.075   30.026  2272.68  311.386  2272.68  311.386   0.0000   0.0000  418.075   30.026  ?   ?  0.000000 30.02594 
1 1 1  -16  -11    4 o  232.880   12.495  683.562   72.399  602.769  129.505  720.291   87.318  215.713   24.474  238.645   14.724 -22.93134 28.56219 
1 1 1  -16  -11    5 o  401.012   16.027  2030.77  160.493  2178.43  282.342  1960.29  195.075  409.904   27.747  392.287   19.980 17.61700 34.19144 
1 1 1  -16  -11    6 o  196.586   11.217  486.898   54.837  514.882  103.146  475.873   64.745  200.014   20.962  193.958   13.450 6.055954 24.90663 
1 1 1  -16  -11    7 o  252.734   12.138  803.215   76.603  907.102  139.884  758.717   91.550  265.854   21.248  244.721   15.054 21.13292 26.04032 
1 1 1  -16  -11    8 o  168.552   10.305  357.929   43.167  507.010   86.538  308.547   49.806  199.232   17.574  156.028   12.898 43.20370 21.79941 
1 1 1  -16  -11    9 o  381.434   15.735  1840.03  149.877  1803.11  264.733  1857.44  181.822  371.116   28.791  382.101   19.055 -10.98492 34.52586 
1 1 1  -16  -11   10 o  155.180   21.850  313.925   82.328   0.0000   0.0000  313.925   82.328  ?   ?   155.180   21.850 0.000000 21.85036 
1 1 1  -16  -11   11 f  334.408   14.066  1411.67  117.462  1541.77  210.801  1353.08  141.459  344.826   24.643  326.003   17.440 18.82318 30.18956 
1 1 1  -16  -11   12 o  266.189   12.940  893.224   86.013  882.021  157.643  897.973  102.636  260.285   24.543  265.907   15.524 -5.622162 29.04094 
1 1 1  -16  -11   13 o   82.387   15.050   88.474   29.822   49.105   73.783   96.161   32.604   73.413   28.360   85.827   15.795 -12.41384 32.46140 
1 1 1  -16  -11   14 o  140.193   12.923  249.921   44.734  157.670   92.569  278.029   51.097  107.944   32.030  147.703   14.021 -39.75971 34.96443 
1 1 1  -16  -11   15 o   98.368   17.472  126.592   41.346  -4.0475   81.279  172.197   48.023   63.928   27.671  115.178   17.226 -51.25031 32.59468 
1 1 1  -16  -11   16 o  487.566   18.934  3036.97  230.531  3104.40  407.794  3005.30  279.473  479.806   34.260  482.282   23.205 -2.476837 41.37930 
1 1 1  -16  -11   17 o  158.121   12.903  317.698   50.506  213.762  110.049  345.431   56.846  123.944   34.361  164.688   13.954 -40.74337 37.08619 
1 1 1  -16  -11   18 o  402.533   16.309  2061.07  163.934  2255.55  297.385  1976.18  196.483  412.067   29.087  391.792   20.151 20.27557 35.38516 
1 1 1  -16  -11   19 o  170.547   12.453  369.244   52.667  430.033  120.944  355.019   58.506  178.666   28.030  166.804   14.180 11.86198 31.41282 
1 1 1  -16  -11   20 o  229.168   23.356  690.399  131.791   0.0000   0.0000  690.399  131.791  ?   ?   229.168   23.356 0.000000 23.35577 
1 1 1  -16  -11   21 o  206.745   12.946  543.582   66.499  479.125  144.374  560.940   74.920  185.543   32.335  209.585   14.402 -24.04143 35.39756 
1 1 1  -16  -11   22 o  187.414   12.589  447.342   58.573  640.111  138.177  405.115   64.671  218.089   25.877  177.664   14.709 40.42555 29.76501 
1 1 1  -16  -11   23 o   90.377   16.105  107.874   35.014  155.379  118.991  103.371   36.636  105.460   36.776   88.102   17.269 17.35773 40.62933 
1 1 1  -16  -11   24 o  239.272   14.164  736.225   84.253  566.994  173.142  788.730   96.441  194.311   37.034  246.861   15.726 -52.54984 40.23514 
1 1 1  -16  -11   25 o   82.312   26.369   94.024   61.337   49.264  121.891  109.201   70.978   81.774   34.599   87.969   28.385 -6.195702 44.75257 
1 1 1  -16  -11   26 o   94.436   25.996  129.237   63.243  120.510  133.021  131.786   71.887   94.619   37.618   94.684   28.256 -0.6557465E-01 47.04789 
1 1 1  -16  -11   27 o  148.114   21.586  304.965   77.493  363.345  156.417  285.975   89.211  143.012   41.415  139.891   26.508 3.120911 49.17225 
1 1 1  -16  -11   29 o  149.124   25.694  331.155   92.227   0.0000   0.0000  331.155   92.227  ?   ?   149.124   25.694 0.000000 25.69377 
1 1 1  -16  -11   30 o  173.404   25.347  450.307  106.516   0.0000   0.0000  450.307  106.516  ?   ?   173.404   25.347 0.000000 25.34665 
1 1 1  -16  -11   31 o   89.440   28.585  131.580   72.113   0.0000   0.0000  131.580   72.113  ?   ?    89.440   28.585 0.000000 28.58505 
1 1 1  -16  -10    1 o  147.298   11.572  273.827   42.221  249.744   81.000  282.811   49.473  138.077   24.383  149.443   13.399 -11.36609 27.82223 
1 1 1  -16  -10    2 o  743.280   33.807  7183.42  627.486  7257.02  887.460  7109.83  887.339  730.134   48.957  721.987   49.516 8.147156 69.63194 
1 1 1  -16  -10    3 o  153.616   13.348  298.810   50.695  356.814   81.834  262.688   64.579  166.644   20.069  142.982   18.522 23.66220 27.30952 
1 1 1  -16  -10    4 o  308.511   17.211  1205.86  132.067  1093.44  190.756  1309.35  183.027  290.810   26.561  319.717   23.080 -28.90637 35.18708 
1 1 1  -16  -10    5 o  566.760   21.047  4083.97  297.876  4357.89  519.267  3949.62  363.661  574.337   36.393  554.598   26.258 19.73889 44.87750 
1 1 1  -16  -10    6 o  509.855   19.291  3297.99  245.613  3465.16  428.751  3216.33  299.654  513.460   33.624  501.366   23.934 12.09442 41.27253 
1 1 1  -16  -10    7 o   90.262   13.556  104.794   29.612   64.027   63.687  116.037   33.447   75.374   26.851   94.878   14.584 -19.50477 30.55566 
1 1 1  -16  -10    8 o  334.096   13.691  1406.06  114.221  1548.73  203.365  1340.31  138.052  346.896   23.617  324.970   17.072 21.92520 29.14083 
1 1 1  -16  -10    9 o  112.237   12.460  160.393   34.333  119.920   71.404  172.563   39.156   95.251   28.097  116.232   13.757 -20.98108 31.28431 
1 1 1  -16  -10   10 o  105.230   24.255  147.824   62.430   0.0000   0.0000  147.824   62.430  ?   ?   105.230   24.255 0.000000 24.25515 
1 1 1  -16  -10   11 o  236.922   15.085  712.061   88.786   0.0000   0.0000  712.061   88.786  ?   ?   236.922   15.085 0.000000 15.08524 
1 1 1  -16  -10   12 o  529.837   19.616  3578.89  259.545  3841.18  455.155  3452.50  315.948  536.944   34.122  517.454   24.451 19.49011 41.97832 
1 1 1  -16  -10   13 o  215.358   11.219  584.745   60.128  784.795  118.143  514.814   69.851  247.426   19.273  201.481   13.969 45.94414 23.80324 
1 1 1  -16  -10   14 o   82.433   14.616   88.368   28.986  195.150   75.201   69.736   31.413  120.597   25.754   72.665   17.516 47.93165 31.14616 
1 1 1  -16  -10   15 o  188.620   12.287  450.062   57.560  421.205  112.802  460.222   66.930  178.448   26.084  190.342   14.183 -11.89397 29.69046 
1 1 1  -16  -10   16 o  274.243   17.258  959.774  117.585  808.823  176.378  1080.53  157.756  246.704   29.196  289.144   22.014 -42.44051 36.56533 
1 1 1  -16  -10   17 o  186.234   11.670  438.466   53.998  523.269  113.333  413.561   61.417  200.164   23.098  180.413   13.736 19.75146 26.87308 
1 1 1  -16  -10   18 o  356.671   14.291  1609.86  127.283  1869.04  235.046  1502.31  151.404  378.418   25.014  342.888   17.743 35.53043 30.66792 
1 1 1  -16  -10   19 o  180.435   12.643  412.958   56.609  469.826  123.805  397.925   63.652  187.575   27.226  176.653   14.559 10.92238 30.87451 
1 1 1  -16  -10   20 o  256.478   12.795  831.219   81.951  1106.41  166.553  743.310   94.135  291.220   23.092  241.330   15.706 49.89009 27.92666 
1 1 1  -16  -10   21 o  225.498   23.418  668.626  129.944   0.0000   0.0000  668.626  129.944  ?   ?   225.498   23.418 0.000000 23.41771 
1 1 1  -16  -10   22 o  195.850   12.931  487.975   62.887  500.205  141.480  484.963   70.203  190.561   30.780  194.769   14.539 -4.207443 34.04114 
1 1 1  -16  -10   23 o   58.146   18.141   43.492   29.204   42.724  110.067   43.551   30.289   80.551   33.392   58.380   18.512 22.17088 38.18015 
1 1 1  -16  -10   24 f  130.292   13.642  218.701   43.727  350.592  126.687  200.863   46.591  155.462   33.612  124.300   15.335 31.16234 36.94501 
1 1 1  -16  -10   25 o  151.607   15.966  299.700   59.535  451.015  136.302  264.025   66.183  176.485   32.110  140.820   19.330 35.66432 37.47989 
1 1 1  -16  -10   26 o  271.765   14.407  954.548   97.423  948.526  201.224  956.392  111.343  254.439   32.405  270.566   16.559 -16.12782 36.39104 
1 1 1  -16  -10   27 o  144.020   14.871  271.939   52.712   0.0000   0.0000  271.939   52.712  ?   ?   144.020   14.871 0.000000 14.87072 
1 1 1  -16  -10   28 o  209.704   13.526  572.430   70.453  629.430  175.581  561.492   76.917  196.600   37.124  206.721   15.002 -10.12105 40.04110 
1 1 1  -16  -10   29 o  128.681   27.355  249.588   85.196   0.0000   0.0000  249.588   85.196  ?   ?   128.681   27.355 0.000000 27.35509 
1 1 1  -16  -10   30 f  250.514   26.162  930.819  161.250   0.0000   0.0000  930.819  161.250  ?   ?   250.514   26.162 0.000000 26.16211 
1 1 1  -16  -10   31 o   98.748   28.570  156.795   74.466   0.0000   0.0000  156.795   74.466  ?   ?    98.748   28.570 0.000000 28.56991 
1 1 1  -16  -10   32 o   76.862   28.174   91.436   70.745   0.0000   0.0000   91.436   70.745  ?   ?    76.862   28.174 0.000000 28.17433 
1 1 1  -16   -9    1 o  251.474   10.055  792.203   63.141  786.836   89.513  797.518   89.079  249.781   14.412  251.506   14.242 -1.725327 20.26157 
1 1 1  -16   -9    2 o  507.939   16.623  3251.37  210.854  3262.95  298.133  3239.78  298.252  506.488   23.572  504.649   23.667 1.838562 33.40280 
1 1 1  -16   -9    3 o   97.674   12.984  121.892   30.884  111.380   62.615  125.271   35.503   92.114   26.055   98.710   14.864 -6.596542 29.99648 
1 1 1  -16   -9    4 o  604.983   27.896  4700.00  421.434  4575.84  598.250  4822.30  593.771  586.337   41.119  603.293   39.634 -16.95599 57.11022 
1 1 1  -16   -9    5 o  251.799   11.922  795.955   74.966  938.333  135.700  733.417   89.936  271.315   20.173  240.866   15.027 30.44908 25.15496 
1 1 1  -16   -9    6 o  682.658   24.991  5965.22  426.022  6152.14  740.552  5872.76  520.835  674.771   44.193  672.914   30.995 1.857361 53.97880 
1 1 1  -16   -9    7 o  607.919   22.498  4713.38  341.539  4948.98  594.666  4597.41  417.213  608.915   39.318  596.971   27.987 11.94415 48.26147 
1 1 1  -16   -9    8 o  224.526   12.385  635.623   69.170  595.605  125.326  653.153   82.949  214.507   23.797  227.165   14.701 -12.65790 27.97209 
1 1 1  -16   -9    9 o  357.590   13.810  1610.78  123.320  1899.09  220.073  1478.81  148.892  384.640   23.018  341.282   17.530 43.35788 28.93278 
1 1 1  -16   -9   10 o  265.022   12.598  883.723   83.372  888.336  150.744  881.690  100.069  262.367   23.249  263.822   15.254 -1.455322 27.80661 
1 1 1  -16   -9   11 o  278.746   23.577  1003.73  162.575   0.0000   0.0000  1003.73  162.575  ?   ?   278.746   23.577 0.000000 23.57695 
1 1 1  -16   -9   12 o  139.174   12.122  245.500   41.709  209.213   83.730  257.476   48.102  124.717   27.614  142.267   13.709 -17.55029 30.82971 
1 1 1  -16   -9   13 o  297.406   13.380  1115.03   99.369  1173.75  179.975  1089.28  119.181  301.039   24.144  292.824   16.364 8.215240 29.16694 
1 1 1  -16   -9   14 o  294.769   12.770  1094.72   94.001  1290.66  173.021  1012.66  111.967  316.569   22.024  282.369   15.944 34.19958 27.18945 
1 1 1  -16   -9   15 o  188.950   11.814  451.037   55.465  490.933  109.700  437.335   64.288  194.121   23.082  185.613   13.972 8.507965 26.98184 
1 1 1  -16   -9   16 o  408.694   16.728  2119.73  170.726  2120.39  302.828  2119.42  206.708  400.341   30.521  407.100   20.333 -6.759430 36.67391 
1 1 1  -16   -9   17 o  301.837   16.801  1160.31  126.135  1251.07  190.719  1089.75  168.165  309.930   24.851  289.809   23.437 20.12094 34.15970 
1 1 1  -16   -9   18 f  225.506   11.667  642.025   65.473  820.134  133.635  585.768   75.105  251.853   21.453  214.824   14.078 37.02840 25.65955 
1 1 1  -16   -9   19 o  267.084   13.637  903.749   90.650  878.841  173.766  913.063  106.255  257.816   27.411  267.747   15.964 -9.931152 31.72067 
1 1 1  -16   -9   20 o  121.624   13.192  189.010   39.425  242.490  101.679  179.547   42.771  132.560   31.230  118.147   14.823 14.41291 34.56891 
1 1 1  -16   -9   21 o  190.178   12.453  458.579   58.815  613.591  132.122  420.270   65.682  215.576   25.007  181.496   14.616 34.08002 28.96522 
1 1 1  -16   -9   22 o  254.523   24.022  852.250  150.878   0.0000   0.0000  852.250  150.878  ?   ?   254.523   24.022 0.000000 24.02235 
1 1 1  -16   -9   23 o  139.466   13.680  249.115   47.030  282.033  121.831  243.351   50.982  140.370   34.904  137.453   15.102 2.917450 38.03079 
1 1 1  -16   -9   24 o   80.877   17.273   87.129   33.825  139.269  114.826   82.175   35.396  102.114   36.088   78.295   18.413 23.81882 40.51393 
1 1 1  -16   -9   25 o  238.843   13.313  729.185   79.087  767.183  172.725  719.105   88.960  234.345   30.220  236.378   15.151 -2.033249 33.80474 
1 1 1  -16   -9   26 o  166.556   16.349  362.048   67.123  442.731  147.947  341.136   75.322  171.916   35.632  160.339   19.193 11.57680 40.47275 
1 1 1  -16   -9   27 o   99.653   37.792  140.268  129.439  140.268  129.439   0.0000   0.0000   99.653   37.792  ?   ?  0.000000 37.79219 
1 1 1  -16   -9   28 o  231.140   13.714  692.627   78.805  870.442  184.066  652.718   87.201  242.077   31.173  223.051   15.757 19.02638 34.92903 
1 1 1  -16   -9   29 o  113.114   14.117  168.781   39.008  460.235  148.279  147.111   40.432  167.921   36.410  104.727   15.965 63.19431 39.75645 
1 1 1  -16   -9   30 o  302.685   28.445  1372.30  212.484   0.0000   0.0000  1372.30  212.484  ?   ?   302.685   28.445 0.000000 28.44517 
1 1 1  -16   -9   31 o  169.325   25.710  425.226  105.293   0.0000   0.0000  425.226  105.293  ?   ?   169.325   25.710 0.000000 25.70959 
1 1 1  -16   -9   32 o   96.890   29.432  153.041   77.492   0.0000   0.0000  153.041   77.492  ?   ?    96.890   29.432 0.000000 29.43246 
1 1 1  -16   -9   33 o  116.482   29.324  224.317   85.238   0.0000   0.0000  224.317   85.238  ?   ?   116.482   29.324 0.000000 29.32364 
1 1 1  -16   -8    1 o  197.094   14.318  490.602   69.988  490.602   69.988   0.0000   0.0000  197.094   14.318  ?   ?  0.000000 14.31783 
1 1 1  -16   -8    2 o  379.380   13.133  1806.88  124.418  1819.50  176.027  1794.28  175.879  379.677   18.566  377.011   18.681 2.666443 26.33788 
1 1 1  -16   -8    3 o  412.610   13.658  2138.69  140.724  2158.41  199.091  2118.99  198.936  413.261   19.292  409.427   19.457 3.834045 27.40024 
1 1 1  -16   -8    4 o  220.195   14.362  612.195   78.538  622.685  116.808  603.540  106.101  220.591   21.477  217.555   19.745 3.036392 29.17413 
1 1 1  -16   -8    5 o  294.858   16.945  1100.21  124.245  934.560  179.317  1253.16  172.310  268.827   27.080  313.318   22.166 -44.49118 34.99536 
1 1 1  -16   -8    6 o  320.408   13.999  1291.28  112.009  1291.37  197.590  1291.23  135.967  316.914   25.175  319.384   17.110 -2.470581 30.43888 
1 1 1  -16   -8    7 o  311.442   13.474  1219.82  104.789  1348.76  186.583  1160.41  126.650  324.451   23.181  302.708   16.821 21.74271 28.64125 
1 1 1  -16   -8    8 o  708.905   25.644  6447.36  453.972  6896.60  789.851  6225.74  554.758  713.102   44.579  691.360   32.133 21.74188 54.95260 
1 1 1  -16   -8    9 o  448.154   16.901  2539.20  189.141  2738.06  331.766  2443.44  230.218  459.002   29.095  438.130   21.042 20.87161 35.90657 
1 1 1  -16   -8   10 o   89.527   13.990  103.328   30.253   99.923   66.398  104.220   33.986   87.970   27.339   89.573   15.770 -1.603683 31.56112 
1 1 1  -16   -8   11 o  195.951   11.690  484.245   56.941  458.967  106.364  494.400   67.415  188.024   23.142  197.630   13.746 -9.606323 26.91610 
1 1 1  -16   -8   12 o  289.201   24.023  1080.93  171.923   0.0000   0.0000  1080.93  171.923  ?   ?   289.201   24.023 0.000000 24.02329 
1 1 1  -16   -8   13 o  111.243   12.974  157.909   35.364  125.552   75.433  167.024   40.036   97.338   28.921  114.186   14.358 -16.84746 32.28872 
1 1 1  -16   -8   14 o  208.060   11.522  545.947   59.630  615.906  114.206  519.727   69.917  218.554   21.192  202.520   13.909 16.03455 25.34887 
1 1 1  -16   -8   15 o  279.987   13.262  988.240   92.724  1023.53  169.271  973.111  110.832  280.820   24.380  276.761   16.106 4.059357 29.21976 
1 1 1  -16   -8   16 o  340.343   14.838  1464.22  126.109  1445.92  225.867  1472.50  152.008  332.327   27.463  339.887   17.973 -7.559998 32.82143 
1 1 1  -16   -8   17 o  116.471   14.128  173.746   40.250  158.326   86.867  177.961   45.419  108.146   30.723  117.515   15.884 -9.369064 34.58655 
1 1 1  -16   -8   18 o  359.097   18.577  1647.28  166.019  1747.43  245.788  1563.24  225.141  365.294   27.138  345.926   26.259 19.36877 37.76245 
1 1 1  -16   -8   19 o  151.226   13.270  290.790   49.606  199.181  107.272  315.709   55.947  120.231   34.136  157.376   14.396 -37.14403 37.04745 
1 1 1  -16   -8   20 o  154.664   12.740  303.788   48.769  299.049  109.504  304.961   54.469  147.951   30.647  154.637   14.266 -6.685516 33.80462 
1 1 1  -16   -8   21 f  187.089   12.928  444.036   60.028  462.126  129.220  439.058   67.786  185.391   28.850  185.593   14.748 -0.2028351 32.40107 
1 1 1  -16   -8   22 o  117.002   13.635  175.480   39.090  375.296  110.646  146.983   41.785  167.000   27.489  106.332   16.253 60.66795 31.93382 
1 1 1  -16   -8   23 o  156.164   24.808  326.030   93.508   0.0000   0.0000  326.030   93.508  ?   ?   156.164   24.808 0.000000 24.80777 
1 1 1  -16   -8   24 o  157.938   13.373  318.586   52.246  435.044  130.871  296.506   56.984  177.417   30.647  151.817   15.236 25.59999 34.22565 
1 1 1  -16   -8   25 o  261.014   14.192  870.744   92.157  806.493  186.863  891.394  105.937  240.386   31.918  263.190   16.197 -22.80402 35.79259 
1 1 1  -16   -8   26 o  248.399   13.644  789.843   84.308  877.037  186.741  767.520   94.486  250.174   30.524  243.941   15.592 6.233780 34.27621 
1 1 1  -16   -8   27 o  168.974   16.481  373.138   68.657  409.785  144.439  362.440   78.037  164.504   36.148  165.185   19.281 -0.6810913 40.96832 
1 1 1  -16   -8   28 o  101.993   15.708  137.853   38.724  126.714  130.887  138.921   40.539   96.746   37.660  102.122   16.456 -5.375435 41.09872 
1 1 1  -16   -8   29 o  212.798   13.039  585.693   68.955  803.965  174.580  545.347   75.058  232.627   30.811  204.288   14.814 28.33890 34.18705 
1 1 1  -16   -8   30 o  191.341   13.915  478.554   66.033  363.439  171.802  498.507   71.528  138.641   44.101  194.729   14.821 -56.08781 46.52481 
1 1 1  -16   -8   31 o  161.249   26.681  385.597  103.680   0.0000   0.0000  385.597  103.680  ?   ?   161.249   26.681 0.000000 26.68127 
1 1 1  -16   -8   32 o  118.501   28.907  220.848   84.780   0.0000   0.0000  220.848   84.780  ?   ?   118.501   28.907 0.000000 28.90733 
1 1 1  -16   -8   33 o  118.615   29.489  227.766   86.975   0.0000   0.0000  227.766   86.975  ?   ?   118.615   29.489 0.000000 29.48919 
1 1 1  -16   -8   34 o  149.962   27.727  357.171  100.009   0.0000   0.0000  357.171  100.009  ?   ?   149.962   27.727 0.000000 27.72720 
1 1 1  -16   -7    1 o  254.077   10.959  808.852   69.530  876.410   98.611  742.057   98.052  263.649   15.040  242.314   16.299 21.33446 22.17799 
1 1 1  -16   -7    2 o  288.964   11.589  1046.77   83.624  1026.93  118.112  1066.70  118.412  285.131   16.661  290.673   16.380 -5.542023 23.36412 
1 1 1  -16   -7    3 o  372.986   12.474  1745.38  116.184  1748.12  164.306  1742.63  164.312  372.383   17.669  371.792   17.698 0.5910339 25.00813 
1 1 1  -16   -7    4 o  555.457   17.599  3890.73  244.111  3938.43  345.247  3843.05  345.202  556.125   24.860  549.215   25.170 6.909485 35.37735 
1 1 1  -16   -7    5 o  198.256   14.054  496.458   69.129  495.667  104.015  497.084   92.517  196.595   21.540  197.454   18.998 -0.8591309 28.72062 
1 1 1  -16   -7    6 o  289.468   11.824  1051.40   85.467  1092.87  121.070  1010.20  120.668  293.974   16.560  282.462   17.189 11.51190 23.86802 
1 1 1  -16   -7    7 o  218.922   11.891  603.314   64.764  641.878  117.790  586.604   77.536  223.880   21.327  215.433   14.497 8.447296 25.78739 
1 1 1  -16   -7    8 o  283.910   12.942  1013.07   91.757  1048.59  164.075  996.903  110.684  285.906   23.180  280.743   15.853 5.163574 28.08280 
1 1 1  -16   -7    9 o  264.914   12.460  881.905   82.427  967.128  148.884  844.238   98.980  274.774   21.879  258.310   15.415 16.46368 26.76432 
1 1 1  -16   -7   10 o  173.525   11.358  379.673   48.946  440.825   94.506  357.258   57.217  185.057   20.811  167.910   13.767 17.14716 24.95279 
1 1 1  -16   -7   11 o  207.104   11.945  540.799   61.514  562.120  114.778  532.207   72.861  208.693   22.373  205.011   14.322 3.682251 26.56446 
1 1 1  -16   -7   12 o  473.258   18.685  2842.96  220.822  2756.55  386.431  2884.85  269.084  456.302   34.161  474.895   22.690 -18.59253 41.01009 
1 1 1  -16   -7   13 o   99.871   25.237  133.304   62.966   0.0000   0.0000  133.304   62.966  ?   ?    99.871   25.237 0.000000 25.23678 
1 1 1  -16   -7   14 o  180.605   11.783  411.859   52.850  435.705  102.630  403.254   61.653  183.048   22.957  178.299   13.958 4.748764 26.86748 
1 1 1  -16   -7   15 o  106.631   13.379  145.484   34.842  147.646   77.747  144.940   38.974  104.778   28.815  106.075   15.143 -1.296745 32.55220 
1 1 1  -16   -7   16 o  388.740   14.914  1909.59  144.778  2116.24  258.719  1815.38  174.691  403.746   25.795  377.813   18.516 25.93250 31.75280 
1 1 1  -16   -7   17 o  136.687   12.292  237.086   41.508  237.761   89.394  236.900   46.867  132.902   27.828  136.318   13.965 -3.415329 31.13514 
1 1 1  -16   -7   18 o  167.602   14.370  357.374   59.562  439.518  104.467  317.810   72.501  183.461   23.331  156.894   18.884 26.56631 30.01539 
1 1 1  -16   -7   19 f   63.017   16.888   52.150   27.114  144.596   79.078   39.834   28.864  103.523   29.280   56.514   18.087 47.00864 34.41578 
1 1 1  -16   -7   20 o   96.069   14.999  119.491   34.806  242.142   93.009   99.517   37.534  133.607   28.730   86.902   17.892 46.70540 33.84615 
1 1 1  -16   -7   21 o   83.537   16.333   91.553   32.851   93.248   93.309   91.313   35.098   89.552   32.428   83.213   17.448 6.339714 36.82404 
1 1 1  -16   -7   22 o   73.759   17.304   72.011   31.322  225.307   99.608   55.189   32.996  127.722   31.441   65.065   19.074 62.65727 36.77435 
1 1 1  -16   -7   23 o  163.656   13.575  341.156   54.978  358.101  125.974  337.169   61.105  160.865   32.478  162.271   15.259 -1.405792 35.88410 
1 1 1  -16   -7   24 o  164.777   25.085  362.983   99.961   0.0000   0.0000  362.983   99.961  ?   ?   164.777   25.085 0.000000 25.08493 
1 1 1  -16   -7   25 o  166.396   14.956  355.450   61.480   0.0000   0.0000  355.450   61.480  ?   ?   166.396   14.956 0.000000 14.95571 
1 1 1  -16   -7   26 o  183.064   33.634  478.477  148.092  478.477  148.092   0.0000   0.0000  183.064   33.634  ?   ?  0.000000 33.63446 
1 1 1  -16   -7   27 o  240.791   13.390  742.141   80.196  933.073  177.450  693.135   89.901  260.195   27.738  231.651   15.632 28.54352 31.83966 
1 1 1  -16   -7   28 o  132.874   17.746  233.928   57.412   79.397  135.168  267.943   63.417   89.869   37.109  142.094   18.297 -52.22541 41.37485 
1 1 1  -16   -7   29 o  144.184   13.145  269.158   46.808  416.402  142.603  251.378   49.553  163.626   35.887  138.763   14.515 24.86284 38.71180 
1 1 1  -16   -7   30 o  148.692   13.665  288.250   50.171  295.831  149.573  287.289   53.256  130.232   41.120  148.006   14.599 -17.77486 43.63466 
1 1 1  -16   -7   31 o  105.234   15.966  148.736   40.641  257.046  151.503  140.337   42.187  118.744   41.493  101.588   17.246 17.15664 44.93417 
1 1 1  -16   -7   32 o  236.249   26.007  816.867  150.890   0.0000   0.0000  816.867  150.890  ?   ?   236.249   26.007 0.000000 26.00713 
1 1 1  -16   -7   33 o  115.151   29.670  211.671   85.847   0.0000   0.0000  211.671   85.847  ?   ?   115.151   29.670 0.000000 29.66996 
1 1 1  -16   -7   34 o   85.830   29.828  119.022   78.243   0.0000   0.0000  119.022   78.243  ?   ?    85.830   29.828 0.000000 29.82813 
1 1 1  -16   -7   35 o  147.907   28.333  352.218  100.836   0.0000   0.0000  352.218  100.836  ?   ?   147.907   28.333 0.000000 28.33255 
1 1 1  -16   -6    1 o  206.072   10.010  531.710   51.514  540.855   72.602  522.438   73.103  207.078   14.124  203.452   14.483 3.625397 20.23017 
1 1 1  -16   -6    2 o  322.265   12.013  1302.07   96.675  1302.48  136.718  1301.66  136.721  321.193   17.107  321.091   17.113 0.1023865 24.19726 
1 1 1  -16   -6    3 o  312.244   11.726  1222.27   91.435  1235.28  129.311  1209.26  129.306  312.836   16.612  309.478   16.795 3.358826 23.62246 
1 1 1  -16   -6    4 o  448.493   15.210  2529.25  170.344  2540.49  240.934  2518.02  240.872  447.910   21.541  445.897   21.632 2.012421 30.52779 
1 1 1  -16   -6    5 o  440.706   21.010  2459.22  231.218  2532.71  330.091  2388.44  323.977  443.127   30.007  430.106   30.359 13.02103 42.68586 
1 1 1  -16   -6    6 o  600.881   27.706  4624.08  415.728  4442.83  589.877  4802.94  585.999  579.177   41.051  603.900   39.067 -24.72247 56.66946 
1 1 1  -16   -6    7 o  288.472   11.167  1043.60   80.442  1016.31  113.699  1070.95  113.826  283.556   16.124  291.191   15.712 -7.635101 22.51290 
1 1 1  -16   -6    8 o  419.476   15.266  2216.10  159.908  2666.24  282.055  2002.88  194.120  456.255   24.849  397.694   19.547 58.56204 31.61579 
1 1 1  -16   -6    9 o  338.930   13.845  1445.12  117.177  1573.33  207.808  1385.36  141.884  350.300   23.899  330.733   17.239 19.56650 29.46735 
1 1 1  -16   -6   10 o  291.688   13.455  1070.31   98.003  1105.30  175.259  1054.40  118.213  293.075   24.162  288.521   16.476 4.553619 29.24495 
1 1 1  -16   -6   11 o  270.404   13.370  920.068   90.279  831.755  160.756  960.751  109.109  253.261   25.778  275.426   15.932 -22.16537 30.30366 
1 1 1  -16   -6   12 o  184.796   11.878  430.867   54.523  431.967  103.190  430.441   64.220  182.431   23.174  184.321   14.058 -1.890106 27.10456 
1 1 1  -16   -6   13 o  479.644   33.722  3039.35  401.337   0.0000   0.0000  3039.35  401.337  ?   ?   479.644   33.722 0.000000 33.72170 
1 1 1  -16   -6   14 o   87.108   15.147   98.486   31.753   51.992   74.148  108.927   35.137   74.592   28.528   91.555   15.948 -16.96279 32.68313 
1 1 1  -16   -6   15 o  187.780   12.564  445.726   58.577  335.013  110.212  489.314   69.153  158.284   28.950  196.468   14.191 -38.18352 32.24075 
1 1 1  -16   -6   16 o  276.057   13.399  960.442   92.367  952.815  168.233  963.734  110.515  270.752   25.170  275.503   16.134 -4.751190 29.89735 
1 1 1  -16   -6   17 o  216.086   11.815  589.087   63.514  626.430  122.203  575.266   74.344  219.946   22.569  213.072   14.051 6.873856 26.58571 
1 1 1  -16   -6   18 o  170.502   11.464  367.212   48.527  482.756  100.979  332.515   55.335  193.161   21.288  161.770   13.831 31.39154 25.38633 
1 1 1  -16   -6   19 o  283.221   16.001  1019.13  112.707  1156.19  172.458  916.951  148.907  298.930   23.286  266.300   22.606 32.62994 32.45411 
1 1 1  -16   -6   20 o  111.279   13.746  158.608   37.387  305.823   94.161  131.057   40.735  151.713   25.776  100.321   16.858 51.39145 30.79961 
1 1 1  -16   -6   21 o  186.972   12.787  442.842   59.346  397.678  122.669  456.643   67.809  171.841   29.658  189.508   14.437 -17.66718 32.98541 
1 1 1  -16   -6   22 o  303.627   13.853  1165.22  105.036  1195.66  197.585  1153.23  124.010  301.742   26.490  300.844   16.571 0.8973389 31.24621 
1 1 1  -16   -6   23 o  111.349   15.217  160.012   41.205   56.925  106.290  178.245   44.701   83.830   33.529  117.531   15.617 -33.70094 36.98789 
1 1 1  -16   -6   24 o  145.710   14.158  271.450   50.867  145.568  124.140  296.850   55.763  106.393   37.531  152.261   14.855 -45.86826 40.36443 
1 1 1  -16   -6   25 o  239.992   19.271  745.552  114.521  628.203  184.305  819.354  146.161  211.021   36.283  249.434   23.752 -38.41380 43.36647 
1 1 1  -16   -6   26 o  220.981   13.361  622.207   73.385  681.523  160.261  606.470   82.547  223.155   29.481  217.484   15.297 5.671036 33.21288 
1 1 1  -16   -6   27 o   75.362   17.913   76.223   33.216   57.226  117.319   77.879   34.633   84.440   34.686   76.102   18.422 8.337891 39.27470 
1 1 1  -16   -6   28 o  370.159   15.633  1764.65  144.502  1988.45  278.736  1682.39  168.982  377.246   29.831  358.447   18.946 18.79871 35.33919 
1 1 1  -16   -6   29 o   85.188   19.047   98.921   39.502  160.465  127.874   92.429   41.533  104.557   37.947   81.975   20.377 22.58184 43.07167 
1 1 1  -16   -6   30 o   73.754   18.198   74.527   33.312   88.731  134.103   73.593   34.390   89.398   36.943   73.187   18.737 16.21159 41.42241 
1 1 1  -16   -6   31 o  173.396   13.704  391.681   58.853  588.007  165.957  363.440   62.944  192.404   35.860  166.120   15.347 26.28418 39.00589 
1 1 1  -16   -6   32 o  149.283   14.343  293.384   52.810  322.484  165.535  290.087   55.722  130.223   43.425  147.914   15.307 -17.69109 46.04436 
1 1 1  -16   -6   33 o  117.580   30.136  218.337   88.893   0.0000   0.0000  218.337   88.893  ?   ?   117.580   30.136 0.000000 30.13589 
1 1 1  -16   -6   34 o   75.237   28.951   78.228   76.653   0.0000   0.0000   78.228   76.653  ?   ?    75.237   28.951 0.000000 28.95054 
1 1 1  -16   -6   35 o   37.418   18.491 -118.9606   63.213   0.0000   0.0000 -118.9606   63.213  ?   ?    37.418   18.491 0.000000 18.49060 
1 1 1  -16   -6   36 o   69.497   28.239   64.248   76.701   0.0000   0.0000   64.248   76.701  ?   ?    69.497   28.239 0.000000 28.23875 
1 1 1  -16   -5    1 o  434.213   14.936  2368.38  161.954  2369.13  228.840  2367.62  229.236  432.969   21.165  432.820   21.209 0.1484680 29.96332 
1 1 1  -16   -5    2 o  514.645   16.995  3333.42  218.412  3416.26  308.930  3250.64  308.834  519.016   23.836  506.078   24.437 12.93753 34.13696 
1 1 1  -16   -5    3 o  444.648   14.688  2483.74  163.095  2494.94  230.588  2472.53  230.714  444.295   20.783  442.269   20.890 2.026825 29.46750 
1 1 1  -16   -5    4 o  305.736   11.258  1171.46   85.954  1171.29  121.549  1171.63  121.565  304.722   16.030  304.766   16.029 -0.4391479E-01 22.66926 
1 1 1  -16   -5    5 o  364.069   18.984  1677.56  171.996  1448.47  245.409  1898.72  241.125  334.930   29.648  385.469   25.188 -50.53897 38.90314 
1 1 1  -16   -5    6 o  402.342   18.970  2044.46  190.594  2302.75  273.756  1801.49  265.513  424.157   25.971  373.959   28.650 50.19763 38.66924 
1 1 1  -16   -5    7 o  235.207   9.6185  692.896   56.495  662.886   79.704  723.196   80.089  229.242   13.990  239.570   13.441 -10.32822 19.40088 
1 1 1  -16   -5    8 o  289.700   10.048  1051.65   72.688  1027.03  102.639  1076.42  102.955  285.389   14.449  292.588   14.091 -7.198883 20.18258 
1 1 1  -16   -5    9 o   95.221   10.298  114.973   24.097  100.033   33.788  130.438   34.376   87.754   16.008  100.894   14.023 -13.13966 21.28173 
1 1 1  -16   -5   10 o  265.799   16.078  894.302  106.216  984.506  152.635  809.608  147.900  277.262   22.232  250.758   23.909 26.50443 32.64810 
1 1 1  -16   -5   11 o  558.528   20.684  3964.54  288.486  4296.23  503.522  3802.45  351.983  570.845   35.498  544.289   25.897 26.55579 43.94026 
1 1 1  -16   -5   12 o  348.475   14.182  1529.57  123.410  1650.12  218.968  1473.45  149.398  358.030   24.641  340.781   17.616 17.24854 30.29057 
1 1 1  -16   -5   13 o  326.588   14.133  1343.87  115.266  1411.36  205.763  1313.01  139.148  330.619   25.110  321.623   17.390 8.996704 30.54369 
1 1 1  -16   -5   14 o  169.446   22.188  372.582   91.630   0.0000   0.0000  372.582   91.630  ?   ?   169.446   22.188 0.000000 22.18783 
1 1 1  -16   -5   15 o  450.912   17.600  2577.09  198.173  2665.66  348.330  2534.71  240.972  450.568   31.150  445.482   21.661 5.086273 37.94100 
1 1 1  -16   -5   16 o  226.665   12.368  648.308   69.740  671.541  130.406  639.002   82.534  227.745   23.256  224.516   14.804 3.228470 27.56800 
1 1 1  -16   -5   17 o  238.967   12.523  720.730   74.472  818.526  139.255  681.558   88.134  251.875   22.373  231.743   15.316 20.13210 27.11304 
1 1 1  -16   -5   18 o  197.715   11.710  493.336   57.557  581.051  114.055  463.365   66.669  212.009   21.856  191.137   14.067 20.87181 25.99184 
1 1 1  -16   -5   19 o   81.616   16.059   87.177   31.565   78.112   80.306   88.833   34.328   83.207   30.091   82.192   17.274 1.015755 34.69647 
1 1 1  -16   -5   20 f   84.126   17.572   93.131   35.725  151.363   86.447   81.138   39.231  106.018   30.814   78.260   20.000 27.75799 36.73542 
1 1 1  -16   -5   21 o  161.498   12.732  330.711   50.929  290.657  108.033  342.156   57.748  146.221   30.571  163.975   14.244 -17.75461 33.72630 
1 1 1  -16   -5   22 o  119.931   13.765  183.959   40.477  210.654  100.500  178.790   44.222  123.755   32.209  117.861   15.393 5.893204 35.69807 
1 1 1  -16   -5   23 o  373.436   15.098  1766.72  140.793  2058.95  261.341  1647.22  167.119  396.432   26.552  358.744   18.720 37.68793 32.48780 
1 1 1  -16   -5   24 f  410.457   20.147  2162.50  206.508   0.0000   0.0000  2162.50  206.508  ?   ?   410.457   20.147 0.000000 20.14737 
1 1 1  -16   -5   26 o  105.988   15.907  146.247   40.803   92.827  117.682  153.546   43.501   92.926   35.839  108.468   16.587 -15.54140 39.49152 
1 1 1  -16   -5   27 o  107.893   15.557  151.648   40.703   47.870  117.818  165.713   43.374   83.412   34.561  112.794   15.835 -29.38199 38.01583 
1 1 1  -16   -5   28 o  196.314   12.848  492.329   62.637  590.893  154.407  472.914   68.529  204.820   31.172  191.829   14.411 12.99086 34.34203 
1 1 1  -16   -5   29 o  334.592   15.014  1440.28  125.452  1501.58  247.303  1419.03  145.572  325.733   30.767  329.783   17.742 -4.049896 35.51630 
1 1 1  -16   -5   30 o  188.321   16.493  464.794   76.778  602.245  165.309  426.988   86.696  200.499   34.246  178.628   19.767 21.87074 39.54184 
1 1 1  -16   -5   31 o   76.438   17.450   79.757   32.576  197.319  140.730   73.101   33.485  110.261   39.840   72.934   18.389 37.32708 43.87963 
1 1 1  -16   -5   32 o  138.670   15.045  253.786   51.261   58.597  155.548  277.567   54.294   86.052   37.745  144.994   15.222 -58.94150 40.69896 
1 1 1  -16   -5   33 o  112.304   15.901  169.208   43.348  312.329  162.639  158.264   44.975  128.178   43.044  107.897   17.275 20.28062 46.38130 
1 1 1  -16   -5   34 o  158.034   28.814  382.042  109.523   0.0000   0.0000  382.042  109.523  ?   ?   158.034   28.814 0.000000 28.81444 
1 1 1  -16   -5   35 f  136.952   29.970  299.335   99.649   0.0000   0.0000  299.335   99.649  ?   ?   136.952   29.970 0.000000 29.97005 
1 1 1  -16   -5   36 o  138.328   27.963  303.035   93.272   0.0000   0.0000  303.035   93.272  ?   ?   138.328   27.963 0.000000 27.96334 
1 1 1  -16   -4    1 o  399.043   13.911  1998.48  138.623  2021.67  195.869  1975.22  196.217  400.340   19.592  395.154   19.949 5.185272 27.96118 
1 1 1  -16   -4    2 o  197.668   10.015  490.431   49.272  503.134   69.197  477.366   70.176  199.732   13.961  194.438   14.559 5.294174 20.17122 
1 1 1  -16   -4    3 f  181.252   9.8220  412.485   44.290  453.515   62.569  371.281   62.703  189.661   13.295  171.295   14.804 18.36639 19.89762 
1 1 1  -16   -4    4 o  325.278   10.907  1325.56   88.594  1342.10  125.285  1309.02  125.296  326.760   15.354  322.679   15.550 4.080780 21.85245 
1 1 1  -16   -4    5 o  302.905   11.859  1150.36   89.704  1225.73  126.992  1075.30  126.731  311.667   16.374  291.641   17.482 20.02667 23.95275 
1 1 1  -16   -4    6 o  203.944   13.725  524.662   69.495  592.055  104.822  471.809   92.828  215.607   19.686  192.292   19.606 23.31566 27.78354 
1 1 1  -16   -4    7 o  287.931   11.175  1039.32   80.349  1040.15  113.305  1038.47  113.960  287.033   15.869  286.779   15.977 0.2541504 22.51853 
1 1 1  -16   -4    8 o  260.887   10.672  853.111   69.529  848.677   98.285  857.553   98.372  259.249   15.249  260.618   15.181 -1.369415 21.51714 
1 1 1  -16   -4    9 o  374.182   13.736  1760.03  128.350  1759.52  181.435  1760.55  181.594  372.342   19.582  372.448   19.594 -0.1059875 27.70136 
1 1 1  -16   -4   10 o  164.321   8.7584  339.074   35.810  326.314   50.367  352.117   50.922  160.684   12.655  167.008   12.297 -6.323364 17.64515 
1 1 1  -16   -4   11 o  268.059   12.879  903.148   86.213  911.361  154.068  899.404  104.024  266.303   23.405  266.629   15.693 -0.3255310 28.17920 
1 1 1  -16   -4   12 o  193.036   11.625  469.575   55.776  545.130  105.014  439.886   65.829  206.124   20.681  186.371   14.253 19.75279 25.11617 
1 1 1  -16   -4   13 o  383.224   15.055  1851.98  144.073  2077.28  255.018  1746.37  174.607  401.402   25.575  370.615   18.930 30.78775 31.81798 
1 1 1  -16   -4   14 o  189.985   22.096  466.456  102.871   0.0000   0.0000  466.456  102.871  ?   ?   189.985   22.096 0.000000 22.09587 
1 1 1  -16   -4   15 o  313.492   25.205  1271.26  195.648   0.0000   0.0000  1271.26  195.648  ?   ?   313.492   25.205 0.000000 25.20488 
1 1 1  -16   -4   16 o  280.535   12.977  990.717   90.911  1035.89  165.684  971.258  108.743  283.296   23.636  276.790   15.798 6.506165 28.42957 
1 1 1  -16   -4   17 o  442.710   17.537  2484.97  193.881  2501.22  341.064  2477.22  235.661  435.834   31.551  440.368   21.430 -4.534546 38.14057 
1 1 1  -16   -4   18 o  221.436   12.384  618.958   68.204  698.343  129.792  588.674   80.165  232.427   22.650  215.383   14.998 17.04373 27.16545 
1 1 1  -16   -4   19 o  172.182   12.360  375.025   52.789  306.989  106.076  397.421   60.861  151.176   29.155  176.982   13.882 -25.80681 32.29155 
1 1 1  -16   -4   20 o  131.308   12.747  219.165   41.270  232.143   92.353  215.926   46.133  131.038   28.991  129.996   14.456 1.041901 32.39526 
1 1 1  -16   -4   21 o  128.676   16.093  212.846   50.579  152.183   96.886  235.573   59.302  106.778   32.998  135.004   18.042 -28.22547 37.60807 
1 1 1  -16   -4   22 o  113.823   13.915  165.938   38.727  218.069   98.375  156.377   42.129  126.204   31.354  110.046   15.782 16.15849 35.10237 
1 1 1  -16   -4   23 o  339.070   14.609  1454.22  123.697  1565.75  229.516  1408.56  146.850  345.712   26.795  332.237   17.764 13.47440 32.14885 
1 1 1  -16   -4   24 o  168.177   19.811  366.702   81.602  444.142  128.602  314.506  105.580  181.676   29.347  152.507   28.778 29.16905 41.10248 
1 1 1  -16   -4   25 f  239.585   13.885  728.777   82.718  718.447  164.817  732.255   95.634  231.557   29.149  239.485   16.085 -7.927597 33.29246 
1 1 1  -16   -4   26 o  312.724   26.909  1298.22  208.097   0.0000   0.0000  1298.22  208.097  ?   ?   312.724   26.909 0.000000 26.90940 
1 1 1  -16   -4   27 o  108.428   15.331  152.644   40.354  208.515  119.040  145.390   42.894  120.725   36.436  105.356   16.873 15.36869 40.15334 
1 1 1  -16   -4   28 o  248.411   12.309  782.657   76.355  1170.82  174.138  690.266   84.957  296.879   23.686  232.075   14.736 64.80391 27.89589 
1 1 1  -16   -4   29 o  294.172   14.329  1107.46  105.261  1217.82  213.480  1072.01  120.991  296.310   29.232  287.607   16.921 8.703522 33.77602 
1 1 1  -16   -4   30 o  226.027   13.054  655.307   73.368  813.730  172.943  620.537   81.021  239.785   29.505  219.050   14.900 20.73505 33.05347 
1 1 1  -16   -4   31 o   43.024   17.073   14.361   27.352   21.550  131.844   14.037   27.960   79.090   34.719   43.211   17.225 35.87956 38.75756 
1 1 1  -16   -4   32 o  172.390   14.108  387.269   60.201  425.077  163.754  381.361   64.734  158.064   41.102  170.398   15.379 -12.33347 43.88477 
1 1 1  -16   -4   33 o  127.540   14.842  214.977   46.388  135.855  159.741  222.263   48.477   97.156   40.248  129.497   15.285 -32.34126 43.05268 
1 1 1  -16   -4   34 o  187.412   13.692  459.744   63.637  503.768  186.660  453.954   67.693  162.865   44.590  185.557   14.730 -22.69301 46.96036 
1 1 1  -16   -4   35 o   65.406   26.908   41.323   70.731   0.0000   0.0000   41.323   70.731  ?   ?    65.406   26.908 0.000000 26.90783 
1 1 1  -16   -4   36 o  136.833   28.341  293.442   93.654   0.0000   0.0000  293.442   93.654  ?   ?   136.833   28.341 0.000000 28.34091 
1 1 1  -16   -4   37 o   50.286   23.078 -20.5525   65.936   0.0000   0.0000 -20.5525   65.936  ?   ?    50.286   23.078 0.000000 23.07791 
1 1 1  -16   -3    1 o  216.246   9.3534  585.227   50.509  560.109   70.709  611.397   72.174  210.864   13.499  220.388   13.175 -9.523651 18.86262 
1 1 1  -16   -3    2 o  467.566   15.070  2746.29  175.959  2694.79  248.509  2798.07  249.180  461.701   21.554  470.558   21.206 -8.857147 30.23665 
1 1 1  -16   -3    3 o  363.434   13.088  1656.90  118.781  1707.07  167.790  1606.49  168.174  368.087   18.254  356.464   18.961 11.62323 26.31983 
1 1 1  -16   -3    4 o  195.207   9.2091  476.915   44.891  507.710   63.328  445.810   63.646  200.801   12.695  187.980   13.651 12.82156 18.64171 
1 1 1  -16   -3    5 o  306.326   11.097  1175.80   84.889  1206.26  119.940  1145.22  120.162  309.354   15.576  301.321   16.027 8.032623 22.34880 
1 1 1  -16   -3    6 f  531.548   24.419  3590.97  324.134  3749.67  460.910  3435.68  455.922  537.485   34.523  513.687   35.765 23.79742 49.70857 
1 1 1  -16   -3    7 o  435.230   19.382  2393.05  210.650  2889.26  302.752  1927.39  293.282  475.531   25.589  386.125   30.669 89.40594 39.94246 
1 1 1  -16   -3    8 o  182.571   9.2484  418.418   42.027  387.653   59.195  449.688   59.679  175.145   13.642  188.852   12.729 -13.70753 18.65806 
1 1 1  -16   -3    9 o  307.275   11.995  1184.79   92.039  1243.14  130.335  1126.75  129.990  313.587   16.704  298.316   17.526 15.27109 24.21159 
1 1 1  -16   -3   10 o  257.312   11.051  830.391   71.009  868.450  100.568  792.552  100.277  262.147   15.431  250.247   16.133 11.89906 22.32411 
1 1 1  -16   -3   11 o  149.305   9.4501  280.407   35.052  265.526   49.325  295.588   49.822  144.650   13.823  152.793   13.187 -8.143250 19.10448 
1 1 1  -16   -3   12 o  192.056   9.7224  463.492   46.477  463.880   66.010  463.110   65.449  191.505   13.898  191.365   13.788 0.1401672 19.57719 
1 1 1  -16   -3   13 o  352.708   15.385  1568.97  135.510  1348.44  237.294  1675.69  165.073  321.326   29.916  363.790   18.171 -42.46396 35.00244 
1 1 1  -16   -3   14 o  135.770   12.139  233.471   40.721  303.539   83.262  211.442   46.686  152.690   22.512  128.687   14.797 24.00328 26.93963 
1 1 1  -16   -3   15 o  330.220   25.878  1411.07  211.684   0.0000   0.0000  1411.07  211.684  ?   ?   330.220   25.878 0.000000 25.87759 
1 1 1  -16   -3   16 o  294.446   14.342  1093.07  105.453  869.820  188.157  1195.30  127.330  257.057   29.869  306.954   16.674 -49.89679 34.20749 
1 1 1  -16   -3   17 o  581.399   21.741  4317.95  315.647  4592.62  551.743  4184.32  384.846  585.277   37.955  568.795   27.094 16.48199 46.63396 
1 1 1  -16   -3   18 o  172.283   12.069  375.096   51.596  426.427  104.142  358.398   59.398  180.894   23.618  167.974   14.297 12.91968 27.60793 
1 1 1  -16   -3   19 o  270.549   13.754  925.121   92.617  835.425  168.465  963.975  110.877  252.654   27.126  275.553   16.184 -22.89877 31.58721 
1 1 1  -16   -3   20 o  211.484   13.502  566.013   70.935  337.836  132.313  658.049   84.032  156.868   34.697  227.786   14.854 -70.91823 37.74295 
1 1 1  -16   -3   21 o  265.590   15.626  895.333  103.178  1040.25  161.505  795.405  134.113  283.757   22.990  248.322   21.850 35.43494 31.71684 
1 1 1  -16   -3   22 o  270.434   13.701  925.064   92.226  1013.49  173.652  890.324  108.845  278.959   25.200  264.508   16.562 14.45096 30.15544 
1 1 1  -16   -3   23 o   57.233   18.545   40.562   30.274   0.0000   0.0000   40.562   30.274  ?   ?    57.233   18.545 0.000000 18.54543 
1 1 1  -16   -3   24 o  217.976   15.448  604.859   83.541  727.049  144.146  543.057  102.514  235.699   24.866  205.040   20.288 30.65923 32.09170 
1 1 1  -16   -3   25 o  317.346   15.004  1276.19  118.906  1220.21  221.699  1298.80  140.883  302.692   29.713  318.741   17.771 -16.04901 34.62155 
1 1 1  -16   -3   26 o  337.337   15.953  1447.19  134.388  1139.08  247.002  1576.75  160.170  287.871   35.086  350.640   18.356 -62.76886 39.59739 
1 1 1  -16   -3   27 f  169.100   26.694  385.336  108.982   0.0000   0.0000  385.336  108.982  ?   ?   169.100   26.694 0.000000 26.69412 
1 1 1  -16   -3   28 o  281.006   13.419  1002.82   94.162  1188.22  193.209  945.061  107.835  297.971   26.233  271.407   15.981 26.56415 30.71787 
1 1 1  -16   -3   29 o  171.039   13.811  375.214   58.488  247.627  141.807  401.366   64.203  128.191   39.972  176.635   14.689 -48.44418 42.58556 
1 1 1  -16   -3   30 o  142.065   14.117  260.783   49.420  392.073  137.940  241.449   52.934  162.635   35.002  136.040   15.881 26.59474 38.43562 
1 1 1  -16   -3   31 o  173.173   13.968  387.664   59.892  468.359  155.469  373.601   64.901  174.727   36.794  169.310   15.523 5.417175 39.93476 
1 1 1  -16   -3   32 o  173.380   13.541  389.374   58.161  388.153  159.800  389.561   62.444  152.339   41.071  172.921   14.597 -20.58299 43.58797 
1 1 1  -16   -3   33 f  157.227   14.277  323.272   55.446  250.116  162.555  332.904   58.983  118.880   42.839  159.195   15.014 -40.31504 45.39378 
1 1 1  -16   -3   34 o  149.438   13.891  292.632   51.245  523.105  172.734  270.390   53.660  174.088   40.497  142.906   15.273 31.18228 43.28124 
1 1 1  -16   -3   35 o  119.548   15.615  191.367   45.503   0.0000   0.0000  191.367   45.503  ?   ?   119.548   15.615 0.000000 15.61532 
1 1 1  -16   -3   36 o   92.094   30.081  135.317   79.579   0.0000   0.0000  135.317   79.579  ?   ?    92.094   30.081 0.000000 30.08058 
1 1 1  -16   -3   37 o  121.141   30.486  241.578   92.150   0.0000   0.0000  241.578   92.150  ?   ?   121.141   30.486 0.000000 30.48584 
1 1 1  -16   -3   38 o  133.749   30.295  299.378   98.837   0.0000   0.0000  299.378   98.837  ?   ?   133.749   30.295 0.000000 30.29504 
1 1 1  -16   -2    1 o  322.522   12.187  1303.96   98.155  1292.41  138.393  1315.65  139.235  319.974   17.385  322.857   17.333 -2.882904 24.54964 
1 1 1  -16   -2    2 o  166.594   8.9793  348.284   37.217  346.238   51.822  350.462   53.485  165.695   12.619  166.665   12.953 -0.9699860 18.08353 
1 1 1  -16   -2    3 o  505.592   16.739  3216.05  211.345  3280.69  298.754  3151.30  299.020  508.775   23.515  498.480   24.022 10.29498 33.61504 
1 1 1  -16   -2    4 o  423.484   14.001  2251.42  148.058  2277.76  209.180  2224.98  209.592  424.822   19.718  419.809   19.993 5.013306 28.08039 
1 1 1  -16   -2    5 o  155.830   8.4537  304.706   32.773  295.813   45.525  314.272   47.218  153.142   12.000  157.866   12.069 -4.724594 17.01969 
1 1 1  -16   -2    6 f  518.683   23.144  3412.35  299.773  3874.46  427.463  2965.14  420.509  548.319   31.349  477.312   35.534 71.00690 47.38578 
1 1 1  -16   -2    7 o  215.141   14.077  583.888   75.211  656.209  111.759  524.018  101.683  227.028   19.914  202.588   20.376 24.43950 28.49121 
1 1 1  -16   -2    8 o  133.957   9.5831  225.855   31.845  238.260   45.202  213.632   44.872  137.103   13.373  129.641   14.087 7.462570 19.42375 
1 1 1  -16   -2    9 f  160.645   10.081  324.593   40.237  317.964   56.721  331.309   57.089  158.367   14.504  161.719   14.283 -3.351791 20.35610 
1 1 1  -16   -2   10 o  188.178   9.5041  444.687   44.517  460.426   63.038  429.029   62.875  190.973   13.301  184.241   13.765 6.732086 19.14190 
1 1 1  -16   -2   11 o  354.253   13.052  1576.97  115.466  1624.47  163.409  1529.60  163.179  357.988   18.341  347.190   18.892 10.79840 26.33070 
1 1 1  -16   -2   12 o  175.988   10.261  389.627   44.897  442.785   63.612  336.861   63.377  187.130   13.708  162.709   15.797 24.42122 20.91556 
1 1 1  -16   -2   13 o  260.914   10.982  854.242   71.552  884.640  101.288  823.961  101.093  264.444   15.405  255.062   15.952 9.382141 22.17597 
1 1 1  -16   -2   14 o  181.232   11.439  414.031   51.503  520.976   98.400  373.679   60.443  201.648   19.796  171.674   14.227 29.97408 24.37850 
1 1 1  -16   -2   15 o  359.621   14.756  1630.49  132.516  1900.45  239.147  1510.87  159.191  384.025   25.075  344.736   18.560 39.28882 31.19692 
1 1 1  -16   -2   16 o  404.749   29.737  2138.93  298.456   0.0000   0.0000  2138.93  298.456  ?   ?   404.749   29.737 0.000000 29.73684 
1 1 1  -16   -2   17 o  505.903   19.254  3251.98  243.239  3323.01  426.042  3217.63  296.271  501.116   34.251  501.003   23.681 0.1134644 41.64030 
1 1 1  -16   -2   18 o  215.770   12.206  587.366   65.496  715.102  125.823  539.890   76.708  235.716   21.617  206.283   14.994 29.43262 26.30741 
1 1 1  -16   -2   19 o  155.463   12.915  306.332   49.686  320.898  101.204  301.707   57.032  155.479   27.048  153.869   15.035 1.609787 30.94620 
1 1 1  -16   -2   20 o  359.247   15.327  1630.79  137.497  1640.47  246.133  1626.40  165.775  354.436   28.038  357.287   18.645 -2.850342 33.67108 
1 1 1  -16   -2   21 o  156.380   13.388  310.405   51.778  227.660  106.633  335.934   59.229  128.985   32.978  162.454   14.761 -33.46878 36.13064 
1 1 1  -16   -2   22 o  483.103   23.079  2998.41  278.430  3106.81  403.190  2899.59  384.961  483.248   33.620  467.132   33.217 16.11588 47.26229 
1 1 1  -16   -2   23 o  205.199   27.086  555.647  135.400  555.647  135.400   0.0000   0.0000  205.199   27.086  ?   ?  0.000000 27.08562 
1 1 1  -16   -2   24 o  332.249   14.896  1396.40  123.590  1390.94  227.497  1398.69  147.207  325.099   28.305  331.128   17.869 -6.029877 33.47339 
1 1 1  -16   -2   25 o  321.429   15.309  1309.01  122.883  1158.32  226.130  1372.15  146.382  294.343   31.242  327.740   17.954 -33.39648 36.03387 
1 1 1  -16   -2   26 o  203.756   13.515  527.053   68.375  457.787  145.133  546.813   77.516  182.537   33.056  207.141   15.089 -24.60434 36.33747 
1 1 1  -16   -2   27 o  288.406   14.014  1054.09  100.926  1116.19  198.724  1032.51  117.160  289.474   27.834  284.150   16.583 5.324432 32.39979 
1 1 1  -16   -2   28 o  165.549   27.812  373.083  110.899   0.0000   0.0000  373.083  110.899  ?   ?   165.549   27.812 0.000000 27.81174 
1 1 1  -16   -2   29 o  166.441   13.067  353.913   53.876  403.863  142.120  345.530   58.221  167.353   35.127  164.064   14.355 3.288452 37.94672 
1 1 1  -16   -2   30 o  132.491   14.775  227.345   48.050  183.076  134.146  233.861   51.464  112.439   39.057  134.106   15.663 -21.66737 42.08083 
1 1 1  -16   -2   31 o  189.403   14.003  462.245   65.762  282.007  155.238  501.663   72.598  132.613   41.893  196.971   14.869 -64.35771 44.45391 
1 1 1  -16   -2   32 o   39.792   16.451   7.2421   26.611 -72.0303  128.709   10.782   27.198   67.058   31.282   41.519   16.835 25.53962 35.52484 
1 1 1  -16   -2   33 o  268.891   14.163  937.947   94.767  1071.96  210.019  903.683  106.193  268.284   31.978  262.344   16.290 5.940186 35.88848 
1 1 1  -16   -2   34 o  130.826   14.591  225.270   46.856  138.025  158.668  233.605   49.043   98.145   40.330  133.048   15.024 -34.90315 43.03749 
1 1 1  -16   -2   35 o  100.999   16.380  137.727   39.897   65.863  167.331  142.059   41.082   87.494   38.731  102.497   16.619 -15.00330 42.14569 
1 1 1  -16   -2   36 o  166.540   28.796  422.005  115.423   0.0000   0.0000  422.005  115.423  ?   ?   166.540   28.796 0.000000 28.79565 
1 1 1  -16   -2   37 o   48.990   22.816 -38.7329   68.031   0.0000   0.0000 -38.7329   68.031  ?   ?    48.990   22.816 0.000000 22.81648 
1 1 1  -16   -2   38 o   73.838   29.154   76.350   79.386   0.0000   0.0000   76.350   79.386  ?   ?    73.838   29.154 0.000000 29.15402 
1 1 1  -16   -1    1 o  161.146   9.3887  326.113   37.617  320.162   52.234  332.526   54.220  159.206   13.259  162.237   13.506 -3.031174 18.92645 
1 1 1  -16   -1    2 o  257.617   9.7440  830.794   62.685  773.225   87.736  890.825   89.593  247.765   14.240  266.104   13.527 -18.33975 19.64097 
1 1 1  -16   -1    3 o  187.604   10.044  441.918   46.885  459.657   65.645  423.448   66.985  190.869   13.867  183.022   14.783 7.847321 20.26881 
1 1 1  -16   -1    4 o  317.411   11.882  1262.92   94.181  1225.72  132.690  1300.69  133.699  311.584   17.119  321.076   16.733 -9.491943 23.93870 
1 1 1  -16   -1    5 o  334.002   17.362  1408.61  144.315  1466.36  206.845  1353.83  201.446  338.926   24.607  325.486   24.975 13.43991 35.06063 
1 1 1  -16   -1    6 o  407.238   19.838  2094.72  201.738  2148.47  287.842  2042.84  282.826  409.085   28.352  398.761   28.592 10.32376 40.26572 
1 1 1  -16   -1    7 o  364.207   17.885  1672.43  162.667  1862.85  233.728  1493.56  226.531  381.978   24.635  341.145   26.807 40.83224 36.40712 
1 1 1  -16   -1    8 o  224.332   10.050  630.377   56.300  599.008   79.072  662.632   80.180  217.809   14.623  229.222   14.076 -11.41393 20.29631 
1 1 1  -16   -1    9 o  117.060   10.291  173.011   29.778  186.417   41.696  159.055   42.542  120.991   14.062  111.334   15.741 9.657654 21.10737 
1 1 1  -16   -1   10 o  114.147   10.189  164.563   28.738  158.337   40.486  170.886   40.800  111.201   14.959  115.690   14.437 -4.488846 20.78916 
1 1 1  -16   -1   11 o  391.871   12.816  1928.99  125.413  1936.04  177.411  1921.95  177.310  391.402   18.151  389.961   18.208 1.440948 25.70985 
1 1 1  -16   -1   12 o  338.717   11.643  1440.03   98.483  1459.65  139.368  1420.46  139.183  340.142   16.408  335.502   16.613 4.640015 23.34958 
1 1 1  -16   -1   13 f  223.524   10.010  626.370   55.873  635.087   79.112  617.696   78.921  224.176   14.205  221.041   14.376 3.135117 20.21036 
1 1 1  -16   -1   14 o  152.978   9.4001  294.386   35.736  256.275   50.183  333.592   50.900  141.943   14.355  162.424   12.649 -20.48132 19.13285 
1 1 1  -16   -1   15 o  277.580   10.789  966.949   74.785  985.914  106.014  948.163  105.513  279.177   15.264  273.709   15.501 5.468231 21.75491 
1 1 1  -16   -1   16 o  190.818   22.387  470.796  104.650   0.0000   0.0000  470.796  104.650  ?   ?   190.818   22.387 0.000000 22.38737 
1 1 1  -16   -1   17 o  258.983   13.642  846.991   87.914  728.619  159.040  899.076  105.497  236.028   27.499  266.311   15.937 -30.28323 31.78297 
1 1 1  -16   -1   18 o  155.930   12.389  307.697   47.844  314.036   96.545  305.633   55.084  154.209   25.995  155.044   14.391 -0.8345795 29.71313 
1 1 1  -16   -1   19 o  292.101   14.242  1075.93  103.886  981.707  186.699  1118.19  125.030  274.080   27.656  296.715   16.945 -22.63443 32.43434 
1 1 1  -16   -1   20 o  167.805   12.980  356.612   53.968  291.744  107.745  378.338   62.354  147.075   30.344  172.555   14.608 -25.48091 33.67669 
1 1 1  -16   -1   21 o  376.387   16.671  1794.06  156.692  1545.35  277.929  1909.94  189.718  341.060   33.047  386.806   19.706 -45.74600 38.47674 
1 1 1  -16   -1   22 f  295.543   17.270  1111.34  126.904   0.0000   0.0000  1111.34  126.904  ?   ?   295.543   17.270 0.000000 17.27019 
1 1 1  -16   -1   23 o  247.119   15.108  774.773   92.786  1021.53  153.103  631.533  116.648  281.561   21.948  221.197   21.385 60.36371 30.64365 
1 1 1  -16   -1   24 o  117.910   14.868  178.443   42.806   60.997  102.643  203.169   47.096   84.284   33.191  125.834   15.303 -41.55001 36.54908 
1 1 1  -16   -1   25 o  178.848   13.027  405.527   57.781  406.504  125.449  405.263   65.097  173.700   30.006  178.412   14.743 -4.711990 33.43252 
1 1 1  -16   -1   26 o  230.242   12.783  670.891   73.209  695.554  150.985  663.311   83.707  229.383   26.868  228.427   14.753 0.9562836 30.65170 
1 1 1  -16   -1   27 o  196.960   14.133  493.690   69.049  384.659  146.596  524.775   78.275  165.128   36.520  202.693   15.584 -37.56471 39.70608 
1 1 1  -16   -1   28 o  101.957   17.263  136.311   42.384   0.0000   0.0000  136.311   42.384  ?   ?   101.957   17.263 0.000000 17.26295 
1 1 1  -16   -1   29 o  311.707   14.627  1237.42  113.852  1387.62  225.966  1186.31  131.805  320.411   28.540  303.482   17.466 16.92941 33.46016 
1 1 1  -16   -1   30 o  262.841   13.657  882.259   89.329  991.141  189.170  851.012  101.340  268.953   28.605  257.137   15.859 11.81650 32.70736 
1 1 1  -16   -1   31 o  121.940   14.695  193.213   43.846  224.817  136.419  189.572   46.303  121.458   39.369  120.416   15.778 1.041740 42.41255 
1 1 1  -16   -1   32 o  178.205   13.528  409.311   59.753  466.900  160.703  400.071   64.368  173.554   38.122  175.628   14.815 -2.074112 40.89973 
1 1 1  -16   -1   33 o  157.635   16.443  327.388   63.776  524.229  163.125  291.872   69.291  183.218   36.929  147.324   19.298 35.89449 41.66745 
1 1 1  -16   -1   34 o  191.407   13.724  475.926   65.160  482.621  176.225  474.866   70.131  167.640   42.142  190.565   14.854 -22.92548 44.68357 
1 1 1  -16   -1   35 o  260.476   14.642  887.416   94.856  935.437  223.549  876.871  104.754  238.153   38.935  257.466   16.378 -19.31328 42.23970 
1 1 1  -16   -1   36 o  183.695   13.818  441.919   62.920  626.372  195.707  420.655   66.448  186.173   42.968  178.429   15.054 7.744614 45.52872 
1 1 1  -16   -1   37 o  111.455   31.281  201.513   90.619   0.0000   0.0000  201.513   90.619  ?   ?   111.455   31.281 0.000000 31.28097 
1 1 1  -16   -1   38 o   64.739   27.339   36.458   75.869   0.0000   0.0000   36.458   75.869  ?   ?    64.739   27.339 0.000000 27.33885 
1 1 1  -16   -1   39 f   85.317   30.767  121.764   83.869   0.0000   0.0000  121.764   83.869  ?   ?    85.317   30.767 0.000000 30.76690 
1 1 1  -16    0    1 o  264.866   10.840  878.838   71.699  874.901  100.657  882.892  102.157  263.393   15.370  264.570   15.530 -1.177094 21.85026 
1 1 1  -16    0    2 o  124.456   10.080  195.212   31.058  192.522   42.516  198.292   45.478  123.041   14.091  124.764   14.891 -1.722588 20.50154 
1 1 1  -16    0    3 o  133.728   9.8764  225.115   32.748  204.985   45.212  247.332   47.499  126.940   14.524  139.701   13.796 -12.76064 20.03169 
1 1 1  -16    0    4 o  316.883   13.298  1260.08  105.225  1338.57  129.725  1109.09  179.919  326.249   15.923  294.514   24.691 31.73480 29.38042 
1 1 1  -16    0    5 o  357.994   18.314  1619.85  163.174  1612.02  233.079  1627.38  228.515  354.792   26.499  356.710   25.828 -1.917603 37.00392 
1 1 1  -16    0    6 o  285.380   16.302  1028.17  115.690  917.611  165.982  1132.62  161.339  267.478   25.145  298.319   21.809 -30.84131 33.28485 
1 1 1  -16    0    7 o  486.278   17.553  2980.43  213.152  3155.40  369.823  2893.40  260.833  495.055   30.057  477.895   21.856 17.16013 37.16379 
1 1 1  -16    0    8 o  154.061   9.5745  298.352   36.652  303.304   51.285  293.182   52.402  154.847   13.395  152.137   13.948 2.709900 19.33850 
1 1 1  -16    0    9 o  149.916   9.8109  282.711   36.526  290.339   51.184  274.796   52.142  151.413   13.685  147.161   14.372 4.251740 19.84513 
1 1 1  -16    0   10 o  195.650   10.129  480.924   49.317  519.576   69.683  442.136   69.805  202.856   13.839  186.845   15.090 16.01091 20.47441 
1 1 1  -16    0   11 o  180.516   9.9923  409.583   44.868  435.867   63.469  383.327   63.437  185.695   13.785  173.919   14.745 11.77641 20.18566 
1 1 1  -16    0   12 o  627.798   19.172  4990.21  300.561  5082.55  425.175  4897.96  424.941  629.273   27.057  617.425   27.561 11.84839 38.62228 
1 1 1  -16    0   13 o  290.420   11.235  1058.42   81.478  1118.22  115.542  999.268  114.916  297.420   15.611  280.917   16.453 16.50302 22.68079 
1 1 1  -16    0   14 o  177.079   10.262  394.539   45.184  382.975   63.640  406.293   64.163  173.731   14.811  179.040   14.475 -5.309525 20.70938 
1 1 1  -16    0   15 o  119.709   10.339  181.071   30.605  171.059   42.947  191.401   43.624  115.498   15.264  122.416   14.556 -6.918091 21.09203 
1 1 1  -16    0   16 o  188.008   14.109  447.676   65.756  437.202   85.294  463.020  103.239  184.785   18.744  189.285   22.267 -4.500076 29.10579 
1 1 1  -16    0   17 o  148.882   24.026  290.636   86.284   0.0000   0.0000  290.636   86.284  ?   ?   148.882   24.026 0.000000 24.02604 
1 1 1  -16    0   18 o  258.561   13.653  844.317   87.842  707.304  158.428  905.135  105.552  232.341   27.862  267.209   15.890 -34.86858 32.07435 
1 1 1  -16    0   19 o  317.847   15.065  1275.18  119.576  1065.30  212.370  1372.61  144.691  284.461   30.366  328.639   17.696 -44.17792 35.14578 
1 1 1  -16    0   20 o  207.184   14.257  543.790   73.314   0.0000   0.0000  543.790   73.314  ?   ?   207.184   14.257 0.000000 14.25722 
1 1 1  -16    0   21 o  289.845   14.357  1059.79  103.914  980.798  192.889  1092.09  123.343  273.379   28.682  293.181   16.919 -19.80200 33.30048 
1 1 1  -16    0   22 o  344.741   28.268  1553.89  241.215  1553.89  241.215   0.0000   0.0000  344.741   28.268  ?   ?  0.000000 28.26827 
1 1 1  -16    0   23 f  255.452   15.773  828.577  100.126  957.484  160.252  746.028  128.239  271.891   23.843  240.582   21.575 31.30890 32.15536 
1 1 1  -16    0   24 f  355.842   14.573  1599.62  129.500  1884.81  238.437  1480.30  154.230  381.138   25.194  340.752   18.191 40.38611 31.07482 
1 1 1  -16    0   25 o   99.601   16.008  128.719   38.467  107.521  105.174  131.992   41.331   95.610   34.458  100.649   17.053 -5.039276 38.44666 
1 1 1  -16    0   26 o  198.977   12.538  501.067   61.980  663.174  138.987  460.827   69.247  224.856   25.185  190.303   14.685 34.55331 29.15373 
1 1 1  -16    0   27 o  313.456   14.970  1245.41  117.180  1237.37  221.068  1248.55  138.190  304.848   29.405  312.420   17.786 -7.572571 34.36540 
1 1 1  -16    0   28 o  107.532   15.207  149.642   39.696  143.178  114.369  150.528   42.328  104.659   36.080  107.594   16.261 -2.934990 39.57521 
1 1 1  -16    0   29 o  252.272   25.282  845.661  157.123   0.0000   0.0000  845.661  157.123  ?   ?   252.272   25.282 0.000000 25.28160 
1 1 1  -16    0   30 o  331.195   14.435  1398.36  119.389  1549.18  235.930  1346.45  138.421  338.049   28.206  323.175   17.214 14.87430 33.04361 
1 1 1  -16    0   31 o  220.941   13.065  623.710   71.764  673.249  168.935  612.802   79.272  218.056   31.974  218.370   14.621 -0.3140717 35.15865 
1 1 1  -16    0   32 o  142.408   13.711  261.888   48.156  420.846  148.130  243.103   50.922  166.791   36.572  136.649   15.179 30.14212 39.59719 
1 1 1  -16    0   33 o   59.389   18.104   46.809   29.281   24.253  134.983   47.923   29.995   80.552   35.251   60.059   18.326 20.49302 39.73034 
1 1 1  -16    0   34 o   84.921   19.378   99.421   40.186 -71.8571  147.815  113.090   41.758   71.245   33.330   90.818   19.022 -19.57352 38.37656 
1 1 1  -16    0   35 o  222.112   14.028  642.082   77.409  590.416  197.020  651.514   84.179  183.455   43.641  222.954   15.210 -39.49933 46.21567 
1 1 1  -16    0   36 o  197.417   13.555  507.980   66.419  526.517  196.348  505.585   70.580  167.176   45.717  196.362   14.496 -29.18587 47.96051 
1 1 1  -16    0   37 o  118.018   15.429  186.334   44.383  134.796  184.329  189.506   45.729   96.224   41.661  118.845   15.800 -22.62095 44.55625 
1 1 1  -16    0   38 o   67.993   28.347   44.939   79.964   0.0000   0.0000   44.939   79.964  ?   ?    67.993   28.347 0.000000 28.34692 
1 1 1  -16    0   39 o  206.126   28.072  661.537  140.736   0.0000   0.0000  661.537  140.736  ?   ?   206.126   28.072 0.000000 28.07164 
1 1 1  -16    1    1 o  298.939   11.763  1120.34   87.809  1157.02  123.548  1082.89  124.824  302.783   16.401  292.746   17.150 10.03717 23.72993 
1 1 1  -16    1    2 o  285.581   12.902  1023.25   92.011  1040.57  113.295  989.687  157.701  287.206   15.858  278.528   22.875 8.677826 27.83446 
1 1 1  -16    1    3 o  126.366   14.502  203.183   44.935  222.076   70.212  190.077   58.479  130.669   22.319  121.130   20.033 9.539085 29.99116 
1 1 1  -16    1    4 o  363.410   18.551  1669.79  167.792  1626.20  238.972  1712.18  235.649  356.127   27.074  365.850   25.962 -9.723541 37.51065 
1 1 1  -16    1    5 o  187.738   14.188  445.180   66.027  381.918   96.580  500.693   90.471  172.086   23.054  198.417   18.471 -26.33092 29.54104 
1 1 1  -16    1    6 o  285.879   16.436  1032.10  116.840  875.451  167.273  1181.35  163.273  260.914   26.020  304.715   21.597 -43.80121 33.81531 
1 1 1  -16    1    7 o  156.744   9.9927  308.954   38.909  300.381   54.048  318.177   56.059  153.978   14.217  158.494   14.319 -4.516037 20.17770 
1 1 1  -16    1    8 o  203.125   9.7838  516.752   49.628  529.989   69.603  503.063   70.779  204.962   13.678  199.568   14.297 5.394485 19.78599 
1 1 1  -16    1    9 o  249.057   10.411  777.300   64.751  782.462   91.145  772.040   92.003  249.008   14.723  247.295   14.969 1.713425 20.99620 
1 1 1  -16    1   10 o  228.232   10.382  652.827   59.170  702.531   83.510  602.717   83.850  235.952   14.240  218.264   15.484 17.68790 21.03661 
1 1 1  -16    1   11 o  183.499   9.6697  423.014   44.153  411.036   61.874  435.443   63.025  180.291   13.849  185.621   13.694 -5.330124 19.47576 
1 1 1  -16    1   12 o  325.996   12.261  1334.49   99.812  1385.69  141.035  1283.13  141.275  330.869   17.128  318.168   17.853 12.70142 24.74090 
1 1 1  -16    1   13 o  192.030   9.9614  463.463   47.605  463.075   67.351  463.850   67.296  191.305   14.199  191.470   14.175 -0.1648865 20.06400 
1 1 1  -16    1   14 o  201.245   9.6955  507.632   48.724  515.943   68.944  499.338   68.869  202.037   13.747  198.705   13.968 3.331238 19.59809 
1 1 1  -16    1   15 o  199.286   9.5250  497.794   47.401  511.833   66.877  483.621   67.195  201.267   13.383  195.533   13.851 5.734512 19.26004 
1 1 1  -16    1   16 o  194.587   9.5432  474.656   46.372  472.542   65.621  476.765   65.540  193.277   13.685  194.158   13.603 -0.8811493 19.29563 
1 1 1  -16    1   17 o  248.699   15.556  783.636   96.127  808.681  128.954  752.314  144.211  251.266   20.737  241.165   24.276 10.10138 31.92730 
1 1 1  -16    1   18 o  328.075   12.601  1353.76  103.235  1374.83  146.397  1332.92  145.599  328.939   17.890  323.813   18.078 5.125397 25.43336 
1 1 1  -16    1   19 o  204.923   13.047  530.639   66.420  545.254  125.262  524.923   78.340  204.573   25.043  203.305   15.549 1.268311 29.47722 
1 1 1  -16    1   20 o  318.740   13.719  1280.05  109.194  1365.13  197.572  1242.63  131.024  325.124   24.515  312.902   16.830 12.22220 29.73617 
1 1 1  -16    1   21 o  258.123   13.805  842.037   88.659  756.696  163.396  877.647  105.547  240.259   27.744  262.964   16.151 -22.70470 32.10300 
1 1 1  -16    1   22 o  267.183   13.560  901.847   90.177  865.114  167.615  916.811  106.978  257.513   26.441  268.783   16.011 -11.26935 30.91044 
1 1 1  -16    1   23 o  278.161   13.390  975.091   93.008  1004.77  173.618  963.147  110.147  278.060   25.280  275.440   16.084 2.620850 29.96266 
1 1 1  -16    1   24 o  192.828   16.560  474.434   78.966  302.002  130.864  573.172   99.027  147.735   35.839  211.415   18.959 -63.67973 40.54414 
1 1 1  -16    1   25 o   98.739   16.253  126.640   38.681   55.439  101.558  138.721   41.834   82.833   32.889  103.325   16.790 -20.49165 36.92709 
1 1 1  -16    1   26 o  108.029   15.873  150.900   41.543   85.822  109.267  161.897   44.916   91.197   34.690  111.803   16.591 -20.60545 38.45313 
1 1 1  -16    1   27 o  326.811   14.648  1352.08  119.544  1475.61  226.079  1304.14  140.844  334.862   27.273  319.492   17.723 15.36987 32.52562 
1 1 1  -16    1   28 o  101.228   16.572  133.649   40.441   59.048  116.349  143.900   43.131   86.566   34.918  105.008   17.031 -18.44159 38.85048 
1 1 1  -16    1   29 o  199.460   14.275  507.471   70.634  410.565  158.638  531.433   78.885  168.622   38.518  203.718   15.626 -35.09608 41.56699 
1 1 1  -16    1   30 o  183.436   26.454  455.036  117.675   0.0000   0.0000  455.036  117.675  ?   ?   183.436   26.454 0.000000 26.45397 
1 1 1  -16    1   31 o  300.056   13.330  1146.02   99.879  1635.74  216.075  1012.95  112.634  349.559   24.916  280.426   16.153 69.13284 29.69403 
1 1 1  -16    1   32 o   54.598   17.740   37.804   27.690   11.832  129.523   39.048   28.346   79.041   34.562   55.398   17.944 23.64297 38.94251 
1 1 1  -16    1   33 o  177.533   13.743  406.668   60.452  458.505  162.558  398.349   65.123  171.188   38.909  175.145   15.035 -3.957825 41.71285 
1 1 1  -16    1   34 o   91.530   17.100  112.771   37.648  225.204  147.128  104.893   38.945  117.382   40.896   87.765   18.360 29.61691 44.82844 
1 1 1  -16    1   35 o   81.394   17.630   90.470   34.797  120.592  153.085   88.829   35.732   96.133   39.571   80.452   18.210 15.68097 43.56044 
1 1 1  -16    1   36 o   48.156   17.457   26.649   27.051   71.762  167.498   25.441   27.411   89.495   39.214   47.710   17.530 41.78437 42.95357 
1 1 1  -16    1   37 o  145.247   14.362  277.919   51.410  425.967  190.106  266.237   53.400  146.467   46.370  141.621   15.345 4.846649 48.84282 
1 1 1  -16    1   38 o   54.004   17.871   38.473   28.054   25.491  185.088   38.778   28.382   83.347   38.404   54.219   17.977 29.12730 42.40271 
1 1 1  -16    1   39 o  122.782   32.734  254.360  102.196   0.0000   0.0000  254.360  102.196  ?   ?   122.782   32.734 0.000000 32.73393 
1 1 1  -16    2    1 o  556.213   25.516  3940.65  354.403  4041.84  502.797  3840.74  499.621  556.631   36.372  542.064   37.133 14.56677 51.97903 
1 1 1  -16    2    2 o  358.879   18.105  1628.22  161.735  1737.71  231.171  1523.23  226.360  368.666   25.262  344.646   26.504 24.01993 36.61517 
1 1 1  -16    2    3 o  110.822   15.045  157.172   40.559  173.621   62.974  145.511   53.021  115.089   22.718  105.471   20.870 9.618362 30.84909 
1 1 1  -16    2    4 o  363.783   18.547  1673.86  167.924  1664.40  239.389  1683.03  235.616  360.256   26.802  362.486   26.206 -2.230225 37.48435 
1 1 1  -16    2    5 o  140.665   14.123  251.018   48.940  207.569   72.979  286.525   65.974  125.806   24.107  149.697   18.010 -23.89104 30.09191 
1 1 1  -16    2    6 o  154.595   10.193  300.667   39.130  305.456   54.428  295.544   56.295  155.287   14.193  152.602   14.965 2.684982 20.62510 
1 1 1  -16    2    7 o  254.480   10.424  811.390   66.243  732.265   92.557  894.479   94.848  240.767   15.476  266.409   14.309 -25.64131 21.07790 
1 1 1  -16    2    8 o  333.472   12.284  1395.35  102.297  1371.19  143.927  1420.03  145.425  329.271   17.568  335.131   17.437 -5.859802 24.75226 
1 1 1  -16    2    9 o  226.280   10.332  641.625   58.382  623.910   81.849  659.973   83.299  222.226   14.834  228.615   14.668 -6.388733 20.86185 
1 1 1  -16    2   10 o  136.710   9.9265  235.388   33.657  227.214   46.719  244.208   48.529  133.687   14.212  138.649   14.217 -4.962540 20.10286 
1 1 1  -16    2   11 f  292.287   11.460  1071.81   83.648  1148.28  118.240  995.202  118.352  301.492   15.760  280.349   16.986 21.14322 23.17065 
1 1 1  -16    2   12 o  343.345   12.099  1480.11  103.740  1468.98  146.401  1491.32  147.020  340.654   17.266  343.689   17.130 -3.035095 24.32226 
1 1 1  -16    2   13 o  330.503   12.242  1371.94  101.037  1408.94  142.643  1334.69  143.135  333.552   17.184  324.471   17.732 9.080383 24.69236 
1 1 1  -16    2   14 o  162.707   9.8694  333.071   39.911  358.599   56.236  307.165   56.651  168.315   13.493  155.472   14.769 12.84335 20.00457 
1 1 1  -16    2   15 o  156.105   9.8094  306.693   38.045  317.653   54.076  295.951   53.535  158.276   13.820  152.665   14.206 5.611526 19.81915 
1 1 1  -16    2   16 o  181.853   10.012  415.954   45.292  448.645   64.102  383.366   64.002  188.300   13.727  173.770   14.893 14.52997 20.25422 
1 1 1  -16    2   17 o  177.168   15.053  398.635   65.966  490.106   86.105  268.670  102.636  195.973   17.789  141.419   29.993 54.55399 34.87140 
1 1 1  -16    2   18 o  252.915   15.484  810.345   97.320  804.338  130.268  817.933  146.404  250.464   21.022  251.755   23.562 -1.291061 31.57646 
1 1 1  -16    2   19 o  416.799   14.561  2190.59  151.551  2188.54  214.415  2192.65  214.235  414.525   20.714  414.929   20.676 -0.4037476 29.26681 
1 1 1  -16    2   20 o  313.490   16.133  1245.46  125.869   0.0000   0.0000  1245.46  125.869  ?   ?   313.490   16.133 0.000000 16.13318 
1 1 1  -16    2   21 o  294.589   26.081  1127.13  189.878  1127.13  189.878   0.0000   0.0000  294.589   26.081  ?   ?  0.000000 26.08069 
1 1 1  -16    2   22 f  239.277   13.442  723.486   79.991  663.428  149.251  747.689   94.748  225.001   27.109  242.736   15.715 -17.73456 31.33488 
1 1 1  -16    2   23 o  248.749   12.674  780.889   78.469  991.379  151.823  704.166   91.661  277.531   22.089  235.505   15.675 42.02568 27.08626 
1 1 1  -16    2   24 o  335.029   19.146  1432.99  159.517  1265.91  236.365  1572.74  216.168  309.337   31.016  348.386   25.014 -39.04916 39.84593 
1 1 1  -16    2   25 o  151.346   13.857  291.353   51.789  331.439  117.002  281.585   57.755  156.430   31.048  148.347   15.835 8.082092 34.85262 
1 1 1  -16    2   26 o   86.019   17.096   97.122   35.429  246.089  105.824   78.317   37.598  133.953   32.063   76.892   19.540 57.06139 37.54793 
1 1 1  -16    2   27 o  248.736   13.256  783.101   82.041  820.656  166.222  771.006   94.331  249.451   27.121  246.215   15.420 3.236420 31.19821 
1 1 1  -16    2   28 o   94.443   17.088  116.897   38.816   84.935  116.484  120.890   41.169   92.015   35.609   95.902   17.847 -3.887131 39.83122 
1 1 1  -16    2   29 o   94.348   16.622  116.661   37.731  103.245  122.711  118.062   39.652   96.538   36.752   94.735   17.402 1.802361 40.66407 
1 1 1  -16    2   30 o  114.669   16.772  171.547   46.606   0.0000   0.0000  171.547   46.606  ?   ?   114.669   16.772 0.000000 16.77173 
1 1 1  -16    2   31 o  269.521   20.296  950.135  135.597  847.215  214.379  1018.77  175.066  242.758   36.493  275.423   25.753 -32.66463 44.66448 
1 1 1  -16    2   32 o  127.857   14.863  212.065   46.570  327.065  143.006  198.423   49.255  146.617   38.548  123.115   16.431 23.50234 41.90401 
1 1 1  -16    2   33 o  114.022   15.363  170.314   42.629  270.235  148.717  161.368   44.497  130.293   40.985  110.500   16.642 19.79262 44.23442 
1 1 1  -16    2   34 o  127.820   15.562  214.527   48.647   23.590  151.531  236.468   51.366   83.762   36.978  134.255   15.613 -50.49303 40.13931 
1 1 1  -16    2   35 o  130.102   18.350  227.469   57.963   71.894  163.140  249.945   62.009   90.846   39.263  136.290   18.714 -45.44453 43.49437 
1 1 1  -16    2   36 o   95.356   16.919  122.809   38.813  223.435  167.416  117.093   39.900  113.728   43.016   92.671   17.889 21.05716 46.58764 
1 1 1  -16    2   37 f  157.673   14.175  325.948   55.216  390.154  189.161  319.968   57.730  141.169   46.390  155.757   15.029 -14.58763 48.76373 
1 1 1  -16    2   38 o   79.924   18.693   89.375   36.644   37.454  188.659   91.410   37.355   85.921   39.286   80.780   18.860 5.141266 43.57875 
1 1 1  -16    2   39 o  129.021   16.436  225.552   51.752   0.0000   0.0000  225.552   51.752  ?   ?   129.021   16.436 0.000000 16.43575 
1 1 1  -16    2   40 o  125.650   33.272  272.392  106.047   0.0000   0.0000  272.392  106.047  ?   ?   125.650   33.272 0.000000 33.27202 
1 1 1  -16    3    1 o  255.416   13.004  821.161   82.670  1027.93  143.494  718.433  101.143  284.303   20.346  238.133   17.123 46.17055 26.59239 
1 1 1  -16    3    2 o  603.384   22.274  4618.69  335.619  5218.94  582.686  4320.69  410.564  631.667   37.103  580.781   28.309 50.88672 46.66894 
1 1 1  -16    3    3 o  107.104   11.138  145.334   29.353  165.112   41.086  124.715   41.951  113.655   14.830   97.969   17.803 15.68575 23.17052 
1 1 1  -16    3    4 o  524.588   17.095  3468.13  223.947  3464.51  316.184  3471.77  317.236  521.872   24.262  522.396   24.318 -0.5235596 34.35141 
1 1 1  -16    3    5 o  386.666   13.696  1878.01  132.248  1912.22  186.613  1843.50  187.443  389.047   19.208  381.376   19.749 7.671265 27.54997 
1 1 1  -16    3    6 o  234.814   10.572  690.937   61.991  720.975   87.031  660.003   88.320  239.027   14.651  228.497   15.571 10.52933 21.38044 
1 1 1  -16    3    7 o  413.815   14.489  2152.94  149.724  2137.21  211.218  2168.82  212.270  410.341   20.679  413.903   20.537 -3.561890 29.14446 
1 1 1  -16    3    8 o  180.939   10.022  411.408   45.107  395.816   62.785  428.042   64.847  176.865   14.339  183.987   14.225 -7.121979 20.19748 
1 1 1  -16    3    9 o  484.394   16.017  2955.75  193.748  2803.44  273.072  3110.15  274.939  469.444   23.294  494.859   22.249 -25.41458 32.21196 
1 1 1  -16    3   10 o  290.594   10.876  1058.84   78.921  1062.41  111.027  1055.19  112.204  290.075   15.382  289.038   15.603 1.036682 21.91074 
1 1 1  -16    3   11 f  361.020   13.220  1637.90  119.187  1696.84  168.247  1578.54  168.865  365.889   18.474  352.645   19.248 13.24384 26.67920 
1 1 1  -16    3   12 o  262.374   11.092  863.594   72.672  872.493  102.175  854.483  103.382  262.659   15.649  259.848   16.010 2.811218 22.38760 
1 1 1  -16    3   13 o  370.434   13.649  1726.02  126.264  1760.85  178.301  1690.98  178.828  372.331   19.242  364.698   19.709 7.633759 27.54489 
1 1 1  -16    3   14 o  107.779   10.883  147.208   28.890  162.572   40.229  130.847   41.514  112.693   14.641  100.405   17.174 12.28822 22.56800 
1 1 1  -16    3   15 o  569.464   17.958  4104.15  255.378  4192.30  361.297  4016.12  361.023  571.779   25.304  559.317   25.848 12.46283 36.17177 
1 1 1  -16    3   16 f  254.573   11.000  813.414   69.927  868.194   98.966  758.800   98.816  261.960   15.194  244.602   16.271 17.35822 22.26180 
1 1 1  -16    3   17 f  146.073   14.741  271.632   53.034  320.045   67.201  191.693   86.353  158.151   17.298  119.376   29.207 38.77505 33.94474 
1 1 1  -16    3   18 o  362.569   17.620  1664.47  159.533  1452.01  218.357  1907.73  233.647  334.855   26.325  384.994   24.429 -50.13885 35.91404 
1 1 1  -16    3   19 o  317.840   12.572  1270.60   99.786  1244.64  141.048  1296.62  141.190  312.848   18.132  319.447   17.770 -6.599030 25.38763 
1 1 1  -16    3   20 o  274.930   12.481  950.716   85.686  875.584  102.152  1129.07  157.388  262.849   15.633  296.803   21.378 -33.95349 26.48453 
1 1 1  -16    3   21 o  431.625   17.222  2359.27  185.626  2327.48  326.862  2374.41  225.521  420.947   31.319  431.566   20.926 -10.61853 37.66665 
1 1 1  -16    3   22 o  108.868   15.245  152.477   40.310   85.484   90.091  169.246   45.073   87.547   31.839  114.603   16.201 -27.05622 35.72399 
1 1 1  -16    3   23 o  376.349   15.185  1789.01  142.710  1974.18  257.145  1706.59  171.555  389.962   26.564  365.993   18.834 23.96875 32.56385 
1 1 1  -16    3   24 o  227.515   13.674  654.868   77.329  586.011  147.282  681.074   90.860  210.477   28.775  231.538   15.809 -21.06052 32.83210 
1 1 1  -16    3   25 o  209.705   15.635  559.282   81.286  608.425  137.630  532.957  100.732  215.420   26.118  203.475   20.087 11.94539 32.94913 
1 1 1  -16    3   26 f  177.761   13.082  400.450   57.661  605.804  130.554  350.685   64.270  215.314   24.730  165.723   15.718 49.59097 29.30239 
1 1 1  -16    3   27 o  371.489   15.986  1749.78  148.300  1856.32  275.697  1706.40  175.918  374.711   29.707  365.081   19.365 9.629913 35.46164 
1 1 1  -16    3   28 o  208.211   13.759  550.371   71.134  649.530  156.520  524.560   79.857  220.380   29.157  202.684   15.905 17.69565 33.21327 
1 1 1  -16    3   29 o  126.296   15.003  205.175   46.391  219.607  128.970  203.030   49.719  124.789   37.984  125.306   16.273 -0.5171280 41.32339 
1 1 1  -16    3   30 o  101.801   16.049  135.220   39.448  154.430  127.165  133.174   41.495  107.955   37.996  100.733   17.108 7.222031 41.67007 
1 1 1  -16    3   31 o  308.740   27.752  1287.78  211.677   0.0000   0.0000  1287.78  211.677  ?   ?   308.740   27.752 0.000000 27.75199 
1 1 1  -16    3   32 o  216.203   13.705  598.285   73.611  714.138  174.584  573.235   81.180  225.032   31.966  210.882   15.525 14.15015 35.53672 
1 1 1  -16    3   33 o  211.750   13.395  575.128   70.464  758.103  177.150  540.738   76.801  230.477   31.613  204.542   15.144 25.93536 35.05253 
1 1 1  -16    3   34 o  224.308   14.136  649.414   78.776  839.774  194.122  611.886   86.192  238.843   33.466  216.691   16.042 22.15178 37.11224 
1 1 1  -16    3   35 o   84.108   17.704   96.077   36.008  227.102  162.735   89.331   36.923  117.142   42.763   80.755   18.681 36.38699 46.66513 
1 1 1  -16    3   36 o  130.390   17.620  227.813   55.904  316.607  172.363  217.375   59.098  132.563   44.313  126.477   19.325 6.085480 48.34379 
1 1 1  -16    3   37 o   88.830   18.232  108.385   39.089 -56.6490  174.563  117.096   40.107   77.082   36.112   92.507   18.010 -15.42517 40.35373 
1 1 1  -16    3   38 o  171.347   15.379  388.668   65.106  429.311  209.885  384.341   68.484  142.550   48.892  169.764   16.357 -27.21330 51.55557 
1 1 1  -16    3   39 o  189.763   15.311  478.715   71.939  398.215  239.743  486.680   75.414  127.866   50.607  190.840   15.972 -62.97393 53.06796 
1 1 1  -16    3   40 o  132.179   33.401  296.149  110.296   0.0000   0.0000  296.149  110.296  ?   ?   132.179   33.401 0.000000 33.40134 
1 1 1  -16    4    1 o  295.616   11.510  1096.19   84.971  1122.66  119.442  1069.08  120.906  298.081   16.106  290.724   16.724 7.357117 23.21870 
1 1 1  -16    4    2 o  207.402   10.138  538.989   52.508  539.777   73.145  538.151   75.423  206.717   14.257  206.323   14.736 0.3936310 20.50354 
1 1 1  -16    4    3 o  234.596   10.623  689.801   62.232  721.867   87.191  656.502   88.852  239.132   14.672  227.819   15.714 11.31319 21.49877 
1 1 1  -16    4    4 o  264.881   10.558  879.333   69.839  908.105   98.093  849.757   99.456  268.315   14.696  259.389   15.424 8.925537 21.30394 
1 1 1  -16    4    5 o  296.702   11.675  1104.22   86.499  1143.41  121.524  1063.99  123.149  300.851   16.236  290.001   17.081 10.85025 23.56573 
1 1 1  -16    4    6 o  316.656   12.057  1258.17   95.338  1288.48  134.310  1227.38  135.353  319.257   16.907  311.442   17.474 7.815430 24.31456 
1 1 1  -16    4    7 o  215.563   10.402  582.349   55.995  578.154   78.337  586.731   80.068  213.887   14.757  215.437   14.976 -1.549561 21.02491 
1 1 1  -16    4    8 o  223.612   10.442  626.711   58.306  592.601   81.336  662.770   83.627  216.472   15.142  229.068   14.697 -12.59570 21.10141 
1 1 1  -16    4    9 f  347.797   12.835  1519.24  111.472  1529.90  157.111  1508.44  158.185  347.536   18.166  345.013   18.427 2.523132 25.87603 
1 1 1  -16    4   10 o  468.000   15.662  2759.41  183.045  2760.77  258.375  2758.03  259.357  466.017   22.202  465.749   22.299 0.2676392 31.46757 
1 1 1  -16    4   11 o  148.842   10.191  278.985   37.650  275.963   52.276  282.243   54.269  147.406   14.385  149.021   14.778 -1.614548 20.62321 
1 1 1  -16    4   12 o  132.126   10.248  220.162   33.549  201.506   46.346  240.699   48.626  125.606   15.077  137.561   14.367 -11.95523 20.82639 
1 1 1  -16    4   13 o  214.473   10.811  578.477   57.715  568.016   80.849  589.348   82.415  211.740   15.396  215.699   15.402 -3.958908 21.77724 
1 1 1  -16    4   14 o  258.170   11.070  836.420   71.368  830.446  100.521  842.492  101.344  256.108   15.794  257.962   15.809 -1.854187 22.34673 
1 1 1  -16    4   15 o  280.919   11.977  991.312   84.023  992.573  118.247  990.026  119.413  279.745   17.008  279.334   17.203 0.4108887 24.19074 
1 1 1  -16    4   16 o  345.659   12.163  1501.37  104.985  1508.11  148.164  1494.58  148.780  345.341   17.181  343.308   17.411 2.033600 24.46093 
1 1 1  -16    4   17 o  257.828   16.826  843.845  107.742  1094.04  147.705  559.339  157.506  292.674   20.336  205.033   31.792 87.64104 37.73968 
1 1 1  -16    4   18 o  255.292   15.177  825.041   96.317  761.642  128.460  906.448  145.565  243.614   21.331  265.650   22.145 -22.03590 30.74755 
1 1 1  -16    4   19 o  100.738   12.454  129.513   30.662  166.159   46.560  101.451   40.744  113.411   16.961   87.753   19.132 25.65746 25.56812 
1 1 1  -16    4   20 o  207.668   10.629  542.719   54.936  586.490   77.176  497.759   78.217  215.208   14.444  197.862   15.966 17.34521 21.53045 
1 1 1  -16    4   21 o  282.065   11.476  999.627   80.837  1049.02  114.428  950.420  114.213  287.678   15.992  273.568   16.800 14.11008 23.19414 
1 1 1  -16    4   22 o  195.074   12.159  480.367   58.936  648.466  118.485  425.103   67.936  224.460   21.398  182.925   15.004 41.53505 26.13412 
1 1 1  -16    4   23 o  197.281   12.601  491.735   61.755  622.275  124.327  448.978   71.154  219.253   23.053  187.936   15.294 31.31642 27.66479 
1 1 1  -16    4   24 o  156.734   13.391  311.736   51.908  256.989  110.406  327.271   58.813  137.180   32.693  160.330   14.858 -23.15065 35.91106 
1 1 1  -16    4   25 o  244.020   15.915  756.566   96.448  844.969  156.963  702.942  122.249  254.846   24.986  233.611   21.186 21.23503 32.75871 
1 1 1  -16    4   26 o  141.425   15.778  256.183   54.771  424.097  121.625  213.469   61.343  178.501   28.224  127.958   19.840 50.54390 34.49938 
1 1 1  -16    4   27 o  277.024   13.369  968.337   92.485  1151.78  185.393  907.563  106.711  297.230   25.215  267.108   16.073 30.12177 29.90254 
1 1 1  -16    4   28 o  220.119   14.527  615.747   79.401  528.864  164.784  642.019   90.614  195.927   34.962  224.288   16.290 -28.36073 38.57085 
1 1 1  -16    4   29 o  161.697   14.084  333.494   56.303  266.084  139.791  346.547   61.513  136.509   39.042  164.590   15.136 -28.08134 41.87294 
1 1 1  -16    4   30 o  240.627   14.447  737.807   86.410  532.753  177.824  801.193   98.868  192.865   38.273  250.261   15.903 -57.39580 41.44535 
1 1 1  -16    4   31 o  286.487   14.481  1047.49  103.261  1076.33  210.421  1038.34  118.513  280.338   30.552  284.183   16.774 -3.845154 34.85439 
1 1 1  -16    4   32 o   90.972   32.002  107.827   90.198   0.0000   0.0000  107.827   90.198  ?   ?    90.972   32.002 0.000000 32.00246 
1 1 1  -16    4   33 o  178.776   13.337  410.043   59.114  837.128  168.399  350.018   63.131  246.117   27.892  164.287   15.574 81.83075 31.94588 
1 1 1  -16    4   34 o  184.324   14.885  440.275   67.931  289.860  169.692  468.979   74.130  132.451   43.958  189.852   15.779 -57.40155 46.70401 
1 1 1  -16    4   35 o   91.443   17.417  112.674   38.319   66.131  154.060  115.743   39.563   89.749   38.463   92.589   17.757 -2.840408 42.36444 
1 1 1  -16    4   36 o   61.014   18.646   49.961   31.034  251.503  161.909   42.274   31.620  120.988   42.843   57.236   18.974 63.75193 46.85627 
1 1 1  -16    4   37 o  202.364   18.500  549.004   92.453  458.524  205.194  572.050  103.561  154.189   48.083  205.030   20.502 -50.84116 52.27178 
1 1 1  -16    4   38 f  215.354   14.661  608.208   78.373  653.677  225.982  601.991   83.559  183.174   48.601  213.437   15.789 -30.26285 51.10164 
1 1 1  -16    4   39 o  130.221   16.182  227.746   51.488  333.453  214.855  221.305   53.033  123.317   48.183  127.874   17.031 -4.556862 51.10408 
1 1 1  -16    4   40 o  179.754   15.450  431.960   68.680  475.316  247.366  428.339   71.491  134.571   51.944  178.400   16.225 -43.82899 54.41849 
1 1 1  -16    5    1 o  251.726   10.969  794.761   68.951  850.203   96.871  737.827   98.165  259.426   15.017  241.335   16.386 18.09039 22.22641 
1 1 1  -16    5    2 o  265.253   10.718  882.217   70.997  894.713   99.474  869.241  101.364  266.172   15.027  262.239   15.548 3.932922 21.62308 
1 1 1  -16    5    3 o  372.716   13.404  1745.81  124.757  1858.46  176.180  1632.52  176.687  383.457   18.399  358.525   19.812 24.93207 27.03738 
1 1 1  -16    5    4 o  186.221   10.267  435.935   47.558  489.071   66.473  380.217   68.069  196.799   13.610  173.004   15.935 23.79556 20.95579 
1 1 1  -16    5    5 o  522.934   17.208  3450.58  224.712  3536.70  317.457  3364.10  318.126  526.756   24.134  513.443   24.812 13.31219 34.61296 
1 1 1  -16    5    6 o  403.816   14.083  2050.53  142.018  2092.81  200.439  2007.91  201.251  406.575   19.742  397.580   20.338 8.994965 28.34427 
1 1 1  -16    5    7 o  228.274   10.560  653.250   60.197  704.592   84.492  600.323   85.786  236.241   14.391  217.717   15.889 18.52428 21.43694 
1 1 1  -16    5    8 o  410.112   14.373  2115.91  147.193  2107.34  207.521  2124.58  208.809  407.737   20.381  409.389   20.425 -1.651489 28.85442 
1 1 1  -16    5    9 o   89.116   12.109  101.501   26.250  108.267   35.426   93.264   39.090   91.365   16.116   84.226   19.033 7.138519 24.93986 
1 1 1  -16    5   10 o  157.471   9.8306  311.949   38.464  311.021   53.348  312.953   55.509  156.673   13.776  157.073   14.309 -0.3999634 19.86217 
1 1 1  -16    5   11 o  319.106   11.952  1278.48   95.245  1241.90  133.747  1316.12  135.668  313.135   17.170  322.451   16.907 -9.315857 24.09680 
1 1 1  -16    5   12 o  321.620   12.368  1299.41   99.334  1340.39  139.984  1257.85  140.979  325.269   17.296  314.875   18.004 10.39380 24.96606 
1 1 1  -16    5   13 o  261.209   11.079  856.184   72.270  869.679  101.575  842.349  102.847  262.171   15.585  257.902   16.049 4.268677 22.37104 
1 1 1  -16    5   14 o  148.465   10.255  277.723   37.786  288.353   52.375  266.185   54.566  150.704   14.080  144.510   15.356 6.194641 20.83413 
1 1 1  -16    5   15 o  177.555   10.341  396.750   45.654  423.736   64.126  369.013   65.012  182.907   14.150  170.371   15.449 12.53644 20.94942 
1 1 1  -16    5   16 o   81.965   12.887   86.493   25.508   95.532   35.040   76.304   37.204   85.473   17.015   76.112   19.490 9.360680 25.87183 
1 1 1  -16    5   17 o  447.804   22.667  2567.00  252.651  2939.33  353.927  2180.12  360.776  474.960   29.995  405.008   36.049 69.95181 46.89528 
1 1 1  -16    5   18 f  204.432   23.393  541.117  117.274   0.0000   0.0000  541.117  117.274  ?   ?   204.432   23.393 0.000000 23.39341 
1 1 1  -16    5   19 o  250.165   16.023  793.758   99.572  793.758   99.572   0.0000   0.0000  250.165   16.023  ?   ?  0.000000 16.02322 
1 1 1  -16    5   20 o  195.953   10.768  483.465   52.489  519.212   73.996  447.260   74.469  202.373   14.743  187.473   16.062 14.90012 21.80275 
1 1 1  -16    5   21 o  290.041   12.012  1057.56   87.000  1158.38  123.345  957.735  122.731  302.237   16.404  274.287   18.019 27.94986 24.36736 
1 1 1  -16    5   22 o  489.404   15.909  3027.18  194.432  3130.29  275.288  2924.54  274.650  494.802   22.279  477.889   23.015 16.91324 32.03194 
1 1 1  -16    5   23 o  202.836   10.638  517.970   53.696  533.847   76.340  502.424   75.540  205.105   15.009  198.875   15.329 6.230087 21.45337 
1 1 1  -16    5   24 o  404.533   16.599  2071.92  167.684  2098.96  298.894  2059.50  202.564  399.884   30.154  401.480   20.270 -1.596130 36.33342 
1 1 1  -16    5   25 o  211.647   13.535  566.926   71.159  554.882  144.209  570.802   81.813  204.561   29.046  211.914   15.569 -7.353210 32.95576 
1 1 1  -16    5   26 o  104.680   18.051  143.011   45.481  241.929  112.751  123.788   49.705  132.602   33.915   96.590   21.190 36.01203 39.99035 
1 1 1  -16    5   27 o  159.368   13.944  323.073   54.936  416.254  128.999  302.430   60.717  175.750   30.499  153.685   16.058 22.06459 34.46762 
1 1 1  -16    5   28 o  103.287   17.193  139.104   42.787   73.045  120.656  148.607   45.760   90.804   35.914  106.685   17.804 -15.88104 40.08448 
1 1 1  -16    5   29 o  111.738   17.091  162.485   46.173   68.501  128.944  176.308   49.452   91.382   36.795  116.367   17.565 -24.98497 40.77257 
1 1 1  -16    5   30 o  215.549   14.492  592.309   77.550  509.233  166.926  615.175   87.575  189.752   36.554  219.161   16.115 -29.40950 39.94822 
1 1 1  -16    5   31 o  120.095   16.065  187.318   46.971  175.684  140.341  188.786   49.846  113.368   39.915  120.280   17.075 -6.912216 43.41352 
1 1 1  -16    5   32 o  105.118   18.521  146.661   46.842   0.0000   0.0000  146.661   46.842  ?   ?   105.118   18.521 0.000000 18.52127 
1 1 1  -16    5   33 o  127.046   28.213  227.838   87.177   65.407  152.376  306.876  106.291   92.253   38.839  146.984   29.975 -54.73104 49.06079 
1 1 1  -16    5   34 o  154.235   14.842  308.602   56.458  366.402  165.842  301.025   60.045  150.479   42.347  151.822   16.082 -1.343109 45.29781 
1 1 1  -16    5   35 o   89.091   17.993  107.374   38.651  114.390  156.693  106.919   39.883   97.873   40.132   88.695   18.601 9.177841 44.23301 
1 1 1  -16    5   36 o  133.269   15.104  233.066   49.378  243.079  172.835  232.176   51.526  119.512   44.003  132.687   15.865 -13.17474 46.77535 
1 1 1  -16    5   37 o  181.747   18.237  441.737   81.655  394.274  199.753  451.259   89.472  143.736   47.692  182.550   19.952 -38.81429 51.69743 
1 1 1  -16    5   38 o   91.798   18.246  115.688   40.353   54.895  189.908  118.563   41.296   90.142   40.490   92.869   18.457 -2.726845 44.49807 
1 1 1  -16    5   39 o   93.882   17.766  121.114   40.125  317.280  204.479  113.258   40.920  123.286   47.321   90.269   18.765 33.01657 50.90630 
1 1 1  -16    5   40 o  143.982   15.908  278.344   56.243   0.0000   0.0000  278.344   56.243  ?   ?   143.982   15.908 0.000000 15.90819 
1 1 1  -16    6    1 o  142.888   10.215  257.289   36.210  258.884   49.628  255.473   52.951  142.743   14.107  141.590   15.214 1.152481 20.74830 
1 1 1  -16    6    2 o  220.420   9.9783  609.010   54.923  585.326   76.194  634.626   79.242  215.192   14.260  224.114   14.233 -8.921555 20.14742 
1 1 1  -16    6    3 o  445.254   14.881  2496.62  165.459  2487.77  233.225  2505.59  234.771  442.562   21.103  444.121   21.169 -1.558807 29.89086 
1 1 1  -16    6    4 o  342.904   12.694  1477.21  108.695  1563.33  152.943  1389.32  154.504  351.808   17.409  330.832   18.779 20.97568 25.60719 
1 1 1  -16    6    5 o  318.803   12.019  1275.99   95.681  1325.81  134.546  1225.02  136.094  323.728   16.700  310.921   17.601 12.80688 24.26269 
1 1 1  -16    6    6 o  281.366   11.443  993.392   80.404  1050.66  113.073  934.820  114.355  288.305   15.765  271.635   16.943 16.66913 23.14336 
1 1 1  -16    6    7 o  237.658   10.928  708.432   64.852  777.080   91.198  638.206   92.241  248.009   14.793  224.317   16.584 23.69226 22.22308 
1 1 1  -16    6    8 o  256.827   10.957  827.370   70.271  831.598   98.452  822.979  100.331  256.451   15.446  255.033   15.832 1.418106 22.11836 
1 1 1  -16    6    9 o  371.307   13.564  1733.73  125.766  1761.95  177.266  1705.12  178.459  372.547   19.119  366.327   19.579 6.219849 27.36546 
1 1 1  -16    6   10 o  183.622   10.405  424.126   47.513  437.622   66.044  409.648   68.406  185.923   14.335  179.653   15.397 6.270370 21.03712 
1 1 1  -16    6   11 o  186.300   10.346  436.547   47.941  449.244   66.783  423.047   68.862  188.382   14.303  182.603   15.241 5.779083 20.90126 
1 1 1  -16    6   12 o  123.371   10.469  192.247   31.949  191.779   43.674  192.785   46.861  122.566   14.554  122.683   15.653 -0.1172028 21.37309 
1 1 1  -16    6   13 o  167.162   10.011  351.594   41.597  351.487   57.820  351.708   59.889  166.522   14.035  166.483   14.552 0.3944397E-01 20.21731 
1 1 1  -16    6   14 o  278.421   11.901  973.702   82.744  996.220  116.412  950.710  117.632  280.331   16.705  273.681   17.301 6.649780 24.04966 
1 1 1  -16    6   15 o   61.214   14.688   49.102   22.166   63.639   29.698   30.815   33.307   69.591   17.190   53.751   19.388 15.83975 25.91145 
1 1 1  -16    6   16 o  180.451   10.318  409.792   46.303  404.957   64.647  414.885   66.352  178.675   14.617  180.826   14.824 -2.151016 20.81865 
1 1 1  -16    6   17 o  268.661   15.852  914.406  105.881  889.302  142.580  945.270  158.094  263.223   21.890  270.841   23.611 -7.618774 32.19698 
1 1 1  -16    6   18 o  415.187   19.801  2190.68  205.295  1999.13  283.642  2401.42  297.516  391.655   29.211  430.237   27.841 -38.58228 40.35381 
1 1 1  -16    6   19 o  127.328   10.663  204.893   33.592  214.520   46.456  194.343   48.631  129.643   14.604  122.989   16.231 6.654716 21.83375 
1 1 1  -16    6   20 f  134.673   10.319  228.898   34.440  222.594   47.612  235.816   49.878  132.065   14.686  135.927   14.941 -3.861374 20.94991 
1 1 1  -16    6   21 o  176.377   11.141  392.237   48.819  421.987   68.795  362.060   69.288  182.219   15.259  168.383   16.698 13.83543 22.62026 
1 1 1  -16    6   22 o  495.842   17.045  3112.82  211.056  3408.20  298.831  2818.83  298.128  515.804   23.200  467.143   25.655 48.66040 34.58923 
1 1 1  -16    6   23 o  220.098   10.507  608.146   57.748  588.529   81.815  627.622   81.521  215.341   15.314  222.538   14.753 -7.196945 21.26461 
1 1 1  -16    6   24 o  340.790   13.396  1463.27  114.001  1597.61  162.247  1332.26  160.215  354.225   18.405  322.825   19.972 31.39975 27.15965 
1 1 1  -16    6   25 o  302.995   14.186  1158.36  107.338  1178.89  199.268  1149.97  127.401  300.605   26.827  300.746   17.034 -0.1405945 31.77834 
1 1 1  -16    6   26 o  239.742   15.593  730.092   92.843  980.732  159.373  601.339  114.227  275.279   23.406  215.775   21.485 59.50467 31.77179 
1 1 1  -16    6   27 o  125.196   15.677  201.429   47.936  367.496  123.937  172.215   51.982  164.639   31.289  114.883   18.768 49.75553 36.48593 
1 1 1  -16    6   28 o  139.195   15.532  248.446   53.067  139.464  129.901  270.277   58.140  106.593   38.307  145.057   16.335 -38.46420 41.64462 
1 1 1  -16    6   29 f  325.105   15.072  1340.30  122.365  1465.83  234.270  1293.20  143.495  332.465   28.493  317.761   18.159 14.70456 33.78743 
1 1 1  -16    6   30 o  104.718   16.650  143.081   42.083  228.809  132.497  133.462   44.381  126.805   38.478  100.625   18.338 26.17971 42.62458 
1 1 1  -16    6   31 o  191.067   14.681  467.100   69.512  454.648  161.382  469.936   77.023  177.489   37.581  191.119   16.294 -13.63033 40.96176 
1 1 1  -16    6   32 o   60.089   19.235   46.083   32.642  176.773  137.017   38.219   33.610  112.480   39.450   56.588   19.556 55.89189 44.03148 
1 1 1  -16    6   33 o  120.243   33.502  211.113  104.342   0.0000   0.0000  211.113  104.342  ?   ?   120.243   33.502 0.000000 33.50223 
1 1 1  -16    6   34 o  101.448   17.499  137.083   42.729  263.886  152.635  126.301   44.508  129.030   41.624   96.747   19.101 32.28324 45.79716 
1 1 1  -16    6   35 o  102.941   17.276  141.502   42.838  126.529  160.957  142.644   44.441  100.687   40.909  103.131   17.906 -2.443420 44.65615 
1 1 1  -16    6   36 o  129.773   15.197  221.016   48.317  458.385  180.267  202.644   50.152  164.267   43.324  123.588   16.676 40.67870 46.42227 
1 1 1  -16    6   37 o  154.565   15.282  313.620   58.212  568.276  194.583  288.588   61.006  181.863   43.442  147.434   16.874 34.42859 46.60415 
1 1 1  -16    6   38 f  124.658   18.895  211.419   56.976  172.178  194.169  215.116   59.599  105.405   44.077  125.336   19.691 -19.93095 48.27594 
1 1 1  -16    6   39 o   93.888   18.086  121.211   40.866  230.810  200.957  116.483   41.738  111.371   45.532   91.651   18.865 19.72038 49.28560 
1 1 1  -16    6   40 o   84.695   32.967  103.873  100.294 -43.0053  214.784  144.830  113.419   81.772   38.835   94.426   35.473 -12.65435 52.59743 
1 1 1  -16    6   41 o  117.847   16.784  189.773   47.997   91.842  236.962  193.963   49.013   91.626   42.643  119.051   16.966 -27.42540 45.89461 
1 1 1  -16    7    1 o  265.107   11.022  882.125   72.970  875.430  102.087  889.119  104.339  262.961   15.616  264.964   15.842 -2.002167 22.24485 
1 1 1  -16    7    2 o  498.975   16.460  3144.24  205.098  3104.22  289.174  3184.75  290.938  492.909   23.493  499.339   23.332 -6.429993 33.11071 
1 1 1  -16    7    3 o  450.060   14.995  2552.65  168.523  2562.93  237.641  2542.25  239.021  448.899   21.199  447.002   21.413 1.897186 30.13177 
1 1 1  -16    7    4 o  178.308   10.113  399.899   44.846  414.835   62.155  383.679   64.770  181.048   13.853  173.857   15.068 7.191406 20.46793 
1 1 1  -16    7    5 o  347.911   12.840  1521.41  111.552  1648.95  157.156  1391.90  158.367  361.193   17.424  330.873   19.250 30.32004 25.96448 
1 1 1  -16    7    6 o  296.602   11.776  1104.56   87.218  1141.51  122.505  1066.58  124.201  300.308   16.398  290.049   17.225 10.25839 23.78197 
1 1 1  -16    7    7 o  641.980   20.617  5233.97  330.527  5465.46  467.329  5002.26  467.544  650.871   28.753  621.709   30.115 29.16138 41.63692 
1 1 1  -16    7    8 o  153.500   10.184  296.711   38.815  347.976   54.006  241.934   55.825  165.855   13.147  137.474   16.597 28.38017 21.17345 
1 1 1  -16    7    9 o  435.271   15.147  2387.67  164.637  2434.62  232.517  2340.46  233.149  437.566   21.279  428.279   21.873 9.286560 30.51622 
1 1 1  -16    7   10 f  311.559   11.918  1219.07   92.724  1242.29  130.294  1195.24  131.985  313.205   16.719  307.051   17.284 6.154358 24.04700 
1 1 1  -16    7   11 o  231.346   10.633  671.401   61.431  708.510   85.907  632.569   87.879  236.726   14.604  223.374   15.857 13.35144 21.55746 
1 1 1  -16    7   12 o  191.149   10.254  459.529   48.765  472.584   68.006  445.710   69.965  193.224   14.193  187.454   15.074 5.769669 20.70436 
1 1 1  -16    7   13 o  220.831   10.437  611.724   57.556  587.999   79.928  637.276   82.949  215.482   14.946  224.381   14.888 -8.899429 21.09620 
1 1 1  -16    7   14 o  133.346   10.525  224.446   34.763  242.145   47.791  204.558   50.659  137.973   14.067  126.231   16.463 11.74197 21.65453 
1 1 1  -16    7   15 o   93.051   11.833  110.491   26.873  100.910   36.364  122.020   39.889   87.863   17.189   96.852   17.119 -8.988808 24.25945 
1 1 1  -16    7   16 o  193.841   11.644  473.651   56.102  470.700   90.940  475.465   71.282  191.667   19.261  193.639   14.855 -1.971283 24.32359 
1 1 1  -16    7   17 o  217.331   23.795  611.416  127.027   0.0000   0.0000  611.416  127.027  ?   ?   217.331   23.795 0.000000 23.79462 
1 1 1  -16    7   18 o  335.319   25.040  1451.52  208.159  1451.52  208.159   0.0000   0.0000  335.319   25.040  ?   ?  0.000000 25.03985 
1 1 1  -16    7   19 o  293.083   11.994  1079.68   87.784  1086.05  123.578  1073.20  124.720  292.497   16.992  290.681   17.259 1.815979 24.22000 
1 1 1  -16    7   20 o  187.493   10.575  442.612   49.308  442.506   69.184  442.722   70.294  186.695   14.965  186.690   15.210 0.4623413E-02 21.33819 
1 1 1  -16    7   21 o  210.930   10.613  559.881   55.723  594.398   78.547  524.910   79.062  216.614   14.606  203.264   15.698 13.34926 21.44200 
1 1 1  -16    7   22 o  210.947   11.632  560.903   61.036  611.682   86.175  509.786   86.462  219.462   15.831  199.858   17.501 19.60428 23.59837 
1 1 1  -16    7   23 o  177.024   10.805  394.970   47.536  439.423   67.226  350.516   67.226  186.072   14.585  165.661   16.469 20.41139 21.99862 
1 1 1  -16    7   24 o  286.940   12.228  1035.81   87.617  1122.52  124.398  950.454  123.425  297.258   16.827  273.044   18.206 24.21469 24.79154 
1 1 1  -16    7   25 o  235.301   12.001  698.281   70.285  831.973  100.573  570.658   98.264  255.996   15.810  211.043   18.844 44.95338 24.59736 
1 1 1  -16    7   26 o  137.450   16.999  243.044   57.102  245.819  118.651  242.208   65.141  133.479   35.121  136.541   19.673 -3.061371 40.25584 
1 1 1  -16    7   27 o   74.943   20.478   74.132   39.414  146.566  109.441   63.337   42.249  106.192   35.304   70.300   21.801 35.89162 41.49339 
1 1 1  -16    7   28 o   72.803   19.678   70.036   36.628   76.987  112.978   69.220   38.720   89.958   34.997   72.524   20.480 17.43410 40.54920 
1 1 1  -16    7   29 o  120.166   16.043  186.510   46.939  330.176  130.875  165.301   50.284  153.703   34.895  112.368   18.569 41.33449 39.52795 
1 1 1  -16    7   30 o  264.319   15.152  890.440   99.596  841.498  199.288  906.734  114.985  247.823   33.024  265.874   17.415 -18.05124 37.33488 
1 1 1  -16    7   31 o  259.668   15.211  861.654   98.203  625.907  197.668  938.908  113.155  207.872   39.524  270.408   16.841 -62.53555 42.96217 
1 1 1  -16    7   32 o  251.184   14.480  806.740   90.443  945.040  196.739  769.681  101.842  261.833   30.671  244.340   16.793 17.49283 34.96694 
1 1 1  -16    7   33 o  128.330   16.901  215.580   52.844   0.0000   0.0000  215.580   52.844  ?   ?   128.330   16.901 0.000000 16.90095 
1 1 1  -16    7   34 o  151.352   27.026  320.065   98.399  419.813  173.245  272.562  119.555  162.331   42.308  134.762   35.157 27.56985 55.00864 
1 1 1  -16    7   35 o   77.425   19.177   81.851   36.883  221.605  158.768   73.878   37.921  118.303   42.368   73.518   20.086 44.78487 46.88783 
1 1 1  -16    7   36 o   71.076   19.785   69.233   36.408 -60.4617  163.653   75.986   37.343   76.597   35.579   74.331   19.773 2.265587 40.70406 
1 1 1  -16    7   37 o  131.665   15.837  228.887   51.026  522.871  184.204  204.454   53.105  175.831   42.437  123.509   17.726 52.32135 45.99036 
1 1 1  -16    7   38 o   62.010   19.940   51.394   35.050   75.630  186.380   50.505   35.686   93.021   41.041   61.679   20.143 31.34226 45.71812 
1 1 1  -16    7   39 o   98.973   20.897  137.711   50.028   0.0000   0.0000  137.711   50.028  ?   ?    98.973   20.897 0.000000 20.89740 
1 1 1  -16    7   40 o  127.970   16.562  220.688   51.685  209.042  231.223  221.300   53.026  106.488   46.381  127.891   17.027 -21.40356 49.40751 
1 1 1  -16    7   41 o   35.056   15.600  -6.9503   27.496  268.823  239.537 -10.6326   27.679  109.346   47.417   34.136   15.384 75.21011 49.84977 
1 1 1  -16    8    1 o  286.963   11.528  1034.45   82.606  1000.34  115.774  1069.82  117.900  280.814   16.583  290.506   16.318 -9.692780 23.26563 
1 1 1  -16    8    2 o  388.422   13.485  1899.17  130.802  1786.42  183.729  2015.05  186.260  374.503   19.715  398.604   18.712 -24.10159 27.18171 
1 1 1  -16    8    3 o  209.020   10.390  548.104   54.231  539.245   75.234  557.686   78.242  206.329   14.698  209.774   15.036 -3.445557 21.02616 
1 1 1  -16    8    4 o  562.568   18.085  4007.83  254.063  4114.15  358.937  3901.08  359.661  566.137   25.389  550.827   26.147 15.30988 36.44569 
1 1 1  -16    8    5 o  333.410   12.387  1397.13  103.130  1431.29  145.061  1362.23  146.647  335.973   17.349  327.555   17.997 8.418488 24.99789 
1 1 1  -16    8    6 o  271.954   11.219  928.411   76.194  1019.95  106.891  833.854  108.639  284.036   15.125  256.288   17.073 27.74774 22.80851 
1 1 1  -16    8    7 o  539.000   17.649  3675.45  237.546  4015.89  336.202  3336.07  335.679  560.292   24.029  508.723   26.515 51.56934 35.78349 
1 1 1  -16    8    8 o  208.173   9.9826  543.382   51.894  596.209   72.266  487.137   74.567  217.291   13.383  195.958   15.361 21.33258 20.37344 
1 1 1  -16    8    9 o  415.737   14.426  2177.15  149.771  2293.07  211.305  2060.12  212.316  424.975   19.911  401.829   21.234 23.14636 29.10919 
1 1 1  -16    8   10 o  343.787   12.809  1486.06  109.963  1588.05  155.218  1383.30  155.807  354.309   17.543  329.789   18.999 24.51953 25.86010 
1 1 1  -16    8   11 o  394.643   14.013  1961.04  138.094  2009.18  194.729  1912.33  195.865  397.866   19.599  387.423   20.316 10.44293 28.22889 
1 1 1  -16    8   12 o  237.301   10.709  706.602   63.459  698.351   88.707  715.250   90.819  234.845   15.208  237.642   15.386 -2.797195 21.63370 
1 1 1  -16    8   13 o  274.581   11.659  946.975   79.946  988.365  112.315  904.469  113.820  279.304   16.172  266.897   17.169 12.40704 23.58619 
1 1 1  -16    8   14 o  159.986   10.679  322.604   42.417  344.093   59.043  299.684   60.977  164.621   14.511  153.217   16.182 11.40439 21.73530 
1 1 1  -16    8   15 o  182.508   10.635  419.400   48.261  423.268   67.213  415.284   69.339  182.630   14.867  180.759   15.512 1.870804 21.48565 
1 1 1  -16    8   16 o  290.615   17.440  1072.72  125.979  1244.85  172.823  877.555  184.026  311.494   22.367  258.812   28.971 52.68231 36.60004 
1 1 1  -16    8   17 o  118.863   15.791  181.435   45.711  185.914   54.127  170.298   85.355  119.706   18.720  112.506   29.878 7.199127 35.25815 
1 1 1  -16    8   18 o  234.137   13.284  692.244   77.350  735.676   92.726  592.875  140.256  240.916   15.495  212.820   26.998 28.09584 31.12905 
1 1 1  -16    8   19 o  378.196   14.248  1802.88  134.559  1842.09  189.736  1763.20  190.859  380.031   20.064  371.549   20.652 8.482330 28.79372 
1 1 1  -16    8   20 o  100.345   12.013  128.351   29.504  131.032   40.273  125.245   43.348  100.508   16.627   97.839   18.418 2.669151 24.81280 
1 1 1  -16    8   21 o  294.745   12.570  1092.91   92.518  1132.18  130.148  1052.79  131.544  298.444   17.540  287.490   18.420 10.95361 25.43527 
1 1 1  -16    8   22 o  193.844   10.500  473.039   50.637  473.582   70.660  472.465   72.602  193.189   14.759  192.867   15.198 0.3219604 21.18443 
1 1 1  -16    8   23 o  127.300   11.288  205.186   35.510  231.130   49.429  177.513   51.049  134.508   14.970  116.995   18.054 17.51310 23.45298 
1 1 1  -16    8   24 o  387.047   14.304  1889.93  138.255  1877.93  195.037  1902.05  196.009  383.251   20.453  385.724   20.422 -2.473511 28.90298 
1 1 1  -16    8   25 o  303.205   11.357  1155.63   85.993  1137.51  121.640  1173.74  121.584  299.319   16.336  304.144   16.065 -4.825684 22.91176 
1 1 1  -16    8   26 o  194.963   13.349  481.376   64.601  758.390  137.475  402.873   73.184  241.986   23.028  177.535   16.704 64.45070 28.44813 
1 1 1  -16    8   27 o  170.468   17.096  372.420   71.794  427.255  133.835  350.264   85.070  177.844   31.277  164.113   21.257 13.73045 37.81742 
1 1 1  -16    8   28 o   49.386   18.897   21.686   32.543  155.657  117.594   10.575   33.866  109.026   36.601   45.862   18.714 63.16472 41.10789 
1 1 1  -16    8   29 o  153.223   14.515  299.869   54.875  330.200  136.155  293.987   59.961  153.210   36.168  151.305   16.118 1.904877 39.59674 
1 1 1  -16    8   30 o  356.324   15.241  1613.46  135.612  1928.45  260.899  1496.84  158.741  381.238   27.591  341.237   18.700 40.00134 33.33107 
1 1 1  -16    8   31 o  142.890   15.782  263.371   55.374  292.069  147.003  258.626   59.778  141.023   39.934  141.125   17.326 -0.1013947 43.53032 
1 1 1  -16    8   32 o  235.049   14.529  706.690   84.859  870.340  189.613  665.704   94.892  251.122   30.888  227.172   16.847 23.94983 35.18363 
1 1 1  -16    8   33 o  154.437   15.391  308.499   58.566  267.716  159.887  314.819   62.941  131.869   42.608  155.652   16.442 -23.78322 45.67005 
1 1 1  -16    8   34 f  220.168   29.182  678.985  156.490   0.0000   0.0000  678.985  156.490  ?   ?   220.168   29.182 0.000000 29.18206 
1 1 1  -16    8   35 o   92.043   19.107  114.983   42.479   26.376  158.577  121.833   44.090   86.287   37.973   94.743   19.291 -8.455345 42.59222 
1 1 1  -16    8   36 o   90.642   19.067  112.107   41.789 -25.4103  169.700  120.984   43.117   81.528   37.271   94.280   18.971 -12.75153 41.82090 
1 1 1  -16    8   37 o   91.548   19.085  114.830   42.218 -48.2190  176.166  124.764   43.485   79.723   36.990   95.598   18.885 -15.87507 41.53241 
1 1 1  -16    8   38 o  194.050   15.295  493.646   73.513  780.602  218.469  457.006   78.065  215.318   42.140  185.619   17.032 29.69926 45.45164 
1 1 1  -16    8   39 o   76.020   36.472 -125.4886  199.877 -125.4886  199.877   0.0000   0.0000   76.020   36.472  ?   ?  0.000000 36.47246 
1 1 1  -16    8   40 o   78.799   19.984   87.753   39.382   74.295  222.559   88.188   40.014   93.264   42.653   78.919   20.214 14.34513 47.20084 
1 1 1  -16    8   41 o  111.337   17.263  169.691   46.442  546.940  244.730  155.599   47.301  148.192   52.651  105.812   18.579 42.37985 55.83332 
1 1 1  -16    9    1 o  359.491   19.067  1646.35  170.559  1745.97  236.956  1539.24  245.695  367.149   26.013  343.150   28.942 23.99936 38.91475 
1 1 1  -16    9    2 o  183.689   14.138  427.735   64.355  347.189   83.080  548.573  101.759  163.860   20.770  206.756   19.957 -42.89656 28.80402 
1 1 1  -16    9    3 o  328.051   11.963  1352.68   98.003  1244.71  137.128  1465.41  140.114  313.000   17.616  340.432   16.482 -27.43219 24.12374 
1 1 1  -16    9    4 o  342.429   12.617  1474.80  107.892  1387.45  151.212  1565.39  153.990  330.293   18.406  351.599   17.539 -21.30655 25.42426 
1 1 1  -16    9    5 o  276.495   11.481  960.262   79.272  962.568  110.967  957.857  113.283  275.556   16.198  274.778   16.587 0.7775574 23.18394 
1 1 1  -16    9    6 o  308.595   11.704  1196.38   90.192  1220.08  126.538  1171.91  128.589  310.307   16.388  303.931   17.011 6.376190 23.62053 
1 1 1  -16    9    7 o  222.009   10.561  618.476   58.550  671.977   81.706  562.007   83.942  230.512   14.264  210.347   16.103 20.16498 21.51222 
1 1 1  -16    9    8 o  326.380   12.386  1339.14  100.950  1488.33  142.290  1187.95  143.244  343.153   16.605  305.484   18.870 37.66907 25.13552 
1 1 1  -16    9    9 o  335.364   12.748  1414.43  106.764  1557.55  150.530  1269.57  151.449  350.896   17.179  315.706   19.303 35.18997 25.84023 
1 1 1  -16    9   10 o  380.203   13.781  1820.15  130.841  1991.02  184.762  1648.25  185.314  396.264   18.671  359.343   20.740 36.92145 27.90609 
1 1 1  -16    9   11 o  451.448   15.435  2571.75  174.006  2713.52  245.758  2429.23  246.406  461.525   21.324  435.540   22.734 25.98425 31.16959 
1 1 1  -16    9   12 o  213.781   10.764  575.027   57.278  584.059   80.052  565.552   81.990  214.687   15.027  211.107   15.665 3.580353 21.70669 
1 1 1  -16    9   13 o  256.299   10.579  824.330   67.710  789.501   94.391  861.250   97.182  249.710   15.210  260.901   14.979 -11.19168 21.34725 
1 1 1  -16    9   14 o  122.650   12.227  190.939   36.951  203.525   56.471  181.517   48.863  125.397   18.598  118.646   16.976 6.751945 25.18044 
1 1 1  -16    9   15 o  152.967   14.589  297.601   55.051  273.453   67.958  343.697   93.893  145.583   19.158  162.210   23.895 -16.62651 30.62721 
1 1 1  -16    9   16 o  155.295   14.801  306.836   56.705  289.659   70.223  339.025   96.131  149.881   19.204  160.821   24.729 -10.93965 31.30993 
1 1 1  -16    9   17 o  106.167   16.957  146.022   43.442  162.701   50.394   97.766   85.717  111.805   18.711   90.169   31.227 21.63576 36.40333 
1 1 1  -16    9   18 o   90.419   12.803  104.860   28.101   80.965   37.043  137.250   43.128   78.324   19.109  102.750   17.432 -24.42567 25.86529 
1 1 1  -16    9   19 o  275.881   12.109  956.917   83.423  1056.82  117.408  855.045  118.557  288.660   16.355  258.981   18.453 29.67923 24.65727 
1 1 1  -16    9   20 o  181.645   11.112  415.926   50.163  456.523   70.040  373.173   71.877  189.643   14.910  170.880   17.073 18.76300 22.66670 
1 1 1  -16    9   21 o  306.607   13.019  1183.39   99.683  1206.85  140.181  1159.40  141.780  307.891   18.315  301.560   18.923 6.330963 26.33491 
1 1 1  -16    9   22 o  262.394   12.055  865.794   78.991  893.252  111.076  837.701  112.354  265.113   16.866  256.488   17.649 8.625244 24.41198 
1 1 1  -16    9   23 o  140.596   11.325  249.973   39.425  248.144   54.471  251.985   57.134  139.217   15.957  140.150   16.651 -0.9327698 23.06218 
1 1 1  -16    9   24 o  189.389   11.387  452.421   53.605  446.866   75.054  458.207   76.587  187.250   16.211  189.600   16.335 -2.349625 23.01379 
1 1 1  -16    9   25 o  317.940   13.426  1274.16  106.596  1283.83  150.408  1264.41  151.093  317.082   19.084  314.578   19.327 2.503967 27.16174 
1 1 1  -16    9   26 o  159.427   11.617  321.363   45.930  304.971   64.256  338.488   65.677  154.186   16.969  162.668   16.392 -8.482056 23.59335 
1 1 1  -16    9   27 o  254.085   17.275  823.609  108.960  779.530  175.262  851.380  139.112  242.278   29.583  256.720   21.909 -14.44267 36.81253 
1 1 1  -16    9   28 o  178.208   14.696  404.485   64.818  399.530  138.115  405.884   73.404  170.487   33.636  178.012   16.708 -7.524231 37.55717 
1 1 1  -16    9   29 o  174.923   14.526  390.106   62.878  422.532  143.670  382.424   69.931  174.678   34.160  172.689   16.414 1.989182 37.89908 
1 1 1  -16    9   30 o  215.929   14.418  593.952   77.297  627.909  166.257  584.588   87.307  214.162   32.075  213.560   16.499 0.6019287 36.06940 
1 1 1  -16    9   31 o  349.558   15.205  1556.28  132.723  1948.28  259.072  1416.80  154.544  382.029   27.337  331.353   18.754 50.67581 33.15175 
1 1 1  -16    9   32 o  124.355   17.288  202.188   52.234   44.310  141.674  227.025   56.193   88.321   37.331  131.824   17.503 -43.50327 41.23075 
1 1 1  -16    9   33 o  113.572   17.460  169.966   47.932  118.109  147.917  176.050   50.665  100.907   39.810  115.382   18.186 -14.47488 43.76768 
1 1 1  -16    9   34 o   82.958   20.941   94.092   43.387   0.0000   0.0000   94.092   43.387  ?   ?    82.958   20.941 0.000000 20.94134 
1 1 1  -16    9   35 o   68.405   29.062   21.256   86.579   52.686  163.686   9.0475  102.018   90.776   39.280   70.702   30.801 20.07402 49.91630 
1 1 1  -16    9   36 o   95.368   19.048  123.720   43.776   27.591  166.675  130.843   45.369   87.032   38.584   98.076   19.212 -11.04320 43.10243 
1 1 1  -16    9   37 o   95.769   19.563  125.794   45.204   86.622  178.750  128.470   46.723   95.210   41.124   96.623   20.022 -1.412582 45.73888 
1 1 1  -16    9   38 o  180.491   17.369  432.897   77.319   0.0000   0.0000  432.897   77.319  ?   ?   180.491   17.369 0.000000 17.36905 
1 1 1  -16    9   39 o   47.412   18.850   18.741   33.403   41.357  201.810   18.104   33.870   90.339   41.044   47.383   18.936 42.95645 45.20120 
1 1 1  -16    9   40 o  111.632   19.531  172.699   52.461  407.131  223.659  159.050   53.967  135.763   50.045  106.190   21.095 29.57276 54.30968 
1 1 1  -16    9   41 o  102.940   19.058  147.888   47.186   36.493  233.775  152.619   48.177   89.237   41.801  104.554   19.158 -15.31625 45.98255 
1 1 1  -16   10    1 o  107.949   11.443  148.080   30.375  155.022   40.894  139.536   45.368  109.745   15.341  103.385   18.240 6.360291 23.83346 
1 1 1  -16   10    2 o  142.449   12.829  257.466   45.146  266.754   52.567  231.355   88.135  144.651   14.759  131.330   27.744 13.32144 31.42513 
1 1 1  -16   10    3 o  345.290   17.652  1515.23  151.693  1353.43  208.845  1695.93  220.697  322.904   26.124  362.459   24.527 -39.55511 35.83356 
1 1 1  -16   10    4 o  144.299   14.832  265.432   52.686  226.889   65.730  334.695   88.114  131.973   20.619  160.285   22.645 -28.31245 30.62587 
1 1 1  -16   10    5 o  508.333   23.978  3315.18  304.376  3242.83  426.218  3390.48  434.816  494.540   34.733  505.798   34.634 -11.25812 49.04980 
1 1 1  -16   10    6 o  182.821   14.908  424.418   67.466  452.300   88.181  385.055  104.774  187.803   19.067  171.386   25.236 16.41669 31.62944 
1 1 1  -16   10    7 o  179.243   14.397  407.578   63.899  351.725   81.595  496.151  102.752  165.105   20.212  196.181   21.317 -31.07570 29.37631 
1 1 1  -16   10    8 o  201.147   15.173  513.403   75.652  546.572   99.308  467.539  116.778  206.537   19.485  189.167   25.359 17.37045 31.98060 
1 1 1  -16   10    9 o  206.581   14.733  540.856   75.507  513.732   98.965  578.640  116.804  200.032   20.083  211.715   22.435 -11.68355 30.11081 
1 1 1  -16   10   10 o  297.718   17.770  1126.70  131.509  1362.61  181.215  864.224  191.145  325.866   22.405  256.067   30.492 69.79947 37.83846 
1 1 1  -16   10   11 o  469.158   23.316  2817.50  273.167  3157.57  382.684  2464.21  390.053  490.942   31.379  429.771   36.696 61.17062 48.28268 
1 1 1  -16   10   12 o  130.822   15.774  219.166   50.492  249.411   61.631  157.428   88.055  139.150   18.170  108.437   30.976 30.71298 35.91238 
1 1 1  -16   10   13 o  400.630   19.882  2040.92  198.904  1978.80  275.300  2108.76  287.695  389.887   28.473  402.343   28.825 -12.45621 40.51660 
1 1 1  -16   10   14 o  173.975   14.809  384.461   63.724  380.764   80.628  390.615  104.009  172.173   19.074  172.801   24.815 -0.6286011 31.29857 
1 1 1  -16   10   15 o  368.154   28.484  1765.99  259.828   0.0000   0.0000  1765.99  259.828  ?   ?   368.154   28.484 0.000000 28.48384 
1 1 1  -16   10   16 o  298.574   23.374  1148.21  172.881  1148.21  172.881   0.0000   0.0000  298.574   23.374  ?   ?  0.000000 23.37362 
1 1 1  -16   10   17 o   85.554   13.767   94.478   28.415   94.136   37.574   94.934   43.430   84.575   18.320   84.686   20.709 -0.1106567 27.64936 
1 1 1  -16   10   18 o  155.068   10.779  303.336   41.480  304.510   56.938  302.008   60.550  154.650   14.929  153.786   16.001 0.8642578 21.88425 
1 1 1  -16   10   19 o  289.215   12.427  1052.15   89.750  1047.22  125.706  1057.27  128.182  286.953   17.628  288.252   17.896 -1.299011 25.11990 
1 1 1  -16   10   20 o  214.384   11.503  579.164   61.355  586.200   85.583  571.725   88.005  214.757   16.075  211.911   16.767 2.846451 23.22817 
1 1 1  -16   10   21 o  194.802   11.161  478.238   54.067  496.511   75.571  459.076   77.387  197.683   15.431  189.800   16.491 7.882889 22.58485 
1 1 1  -16   10   22 o   61.269   16.003   49.206   24.752   27.222   32.293   80.516   38.538   51.711   19.023   78.058   19.754 -26.34758 27.42437 
1 1 1  -16   10   23 o  222.309   11.445  622.782   63.320  589.357   88.552  657.755   90.579  215.144   16.611  227.496   16.047 -12.35129 23.09616 
1 1 1  -16   10   24 o  127.799   12.007  207.227   37.870  210.162   51.748  203.841   55.570  127.801   16.607  125.445   18.276 2.356148 24.69433 
1 1 1  -16   10   25 o  121.645   12.436  188.181   37.245  166.013   50.538  214.532   55.102  112.871   18.577  128.891   17.578 -16.02018 25.57483 
1 1 1  -16   10   26 o  283.453   12.315  1011.66   87.171  992.643  122.524  1031.15  124.047  279.012   17.677  284.434   17.550 -5.422089 24.90929 
1 1 1  -16   10   27 o  453.493   23.146  2654.98  261.245  2531.50  380.230  2765.40  359.549  433.403   35.442  456.359   31.748 -22.95627 47.58225 
1 1 1  -16   10   28 o  224.994   12.143  639.777   67.973  672.320   95.199  605.932   97.084  229.444   16.731  217.359   18.050 12.08510 24.61090 
1 1 1  -16   10   29 o  115.137   17.638  172.716   49.097   83.090  121.707  190.137   53.657   92.666   36.248  120.718   18.379 -28.05186 40.64137 
1 1 1  -16   10   30 o  115.260   17.500  173.367   48.786  151.378  129.366  177.012   52.676  108.038   38.292  116.121   18.809 -8.082954 42.66168 
1 1 1  -16   10   31 o  286.413   16.395  1051.55  116.774  760.177  223.294  1161.23  137.002  228.694   40.586  300.043   18.373 -71.34895 44.55120 
1 1 1  -16   10   32 o  219.670   21.721  635.847  117.590  680.140  180.203  603.000  155.183  219.482   33.976  208.641   30.703 10.84160 45.79355 
1 1 1  -16   10   33 o  205.383   14.039  540.672   71.569  773.820  175.138  493.934   78.415  235.622   30.480  195.416   16.216 40.20566 34.52500 
1 1 1  -16   10   34 o   54.956   19.755   34.505   34.550  100.470  154.781   31.046   35.444   97.630   39.942   53.804   19.905 43.82635 44.62746 
1 1 1  -16   10   35 o  158.040   35.178  376.661  135.262   0.0000   0.0000  376.661  135.262  ?   ?   158.040   35.178 0.000000 35.17842 
1 1 1  -16   10   36 o   75.392   20.843   78.289   40.553   43.353  166.498   80.492   41.812   89.021   39.049   76.374   21.182 12.64668 44.42419 
1 1 1  -16   10   37 o  133.192   17.215  235.927   55.918  190.171  189.278  240.302   58.531  110.856   44.600  134.105   17.927 -23.24850 48.06794 
1 1 1  -16   10   38 o   90.790   34.085  115.719  104.677 -66.6657  192.782  191.974  124.654   80.615   37.825  109.269   37.668 -28.65434 53.38154 
1 1 1  -16   10   39 o   89.482   20.177  111.824   44.009 -116.3928  201.781  123.222   45.095   77.356   36.989   94.194   19.800 -16.83722 41.95510 
1 1 1  -16   10   40 o   51.868   19.787   28.502   35.613  134.296  220.908   25.679   36.085   99.802   44.324   50.956   19.791 48.84578 48.54187 
1 1 1  -16   10   41 o   50.339   19.432   26.138   34.619 -240.3820  236.514   31.973   34.996   73.208   36.100   52.795   19.730 20.41333 41.13967 
1 1 1  -16   11    1 o  145.799   10.528  268.362   38.072  262.072   51.407  276.003   56.660  143.349   14.563  146.908   15.687 -3.559204 21.40503 
1 1 1  -16   11    2 o  162.856   10.356  334.348   41.896  329.111   57.081  340.464   61.686  160.861   14.361  163.436   15.292 -2.574524 20.97815 
1 1 1  -16   11    3 o  324.590   12.213  1325.69   98.996  1291.83  138.399  1361.16  141.662  318.691   17.457  327.172   17.402 -8.481201 24.64881 
1 1 1  -16   11    4 o  348.696   12.750  1530.76  111.018  1522.08  155.755  1539.72  158.282  345.815   18.099  347.748   18.291 -1.932495 25.73241 
1 1 1  -16   11    5 o  295.768   11.728  1099.82   86.619  1090.30  121.315  1109.71  123.715  293.012   16.649  295.562   16.832 -2.550171 23.67432 
1 1 1  -16   11    6 o  143.512   10.713  260.040   38.118  286.855   51.891  228.612   56.177  150.211   13.995  133.264   17.288 16.94746 22.24275 
1 1 1  -16   11    7 o  168.785   12.757  360.545   53.374  380.578   62.728  307.992  101.596  173.075   14.651  152.064   27.778 21.01112 31.40520 
1 1 1  -16   11    8 o  446.237   21.693  2543.42  241.731  2514.50  336.955  2574.08  346.982  437.644   31.033  442.416   31.615 -4.771332 44.30102 
1 1 1  -16   11    9 o  228.537   16.186  663.590   91.777  804.486  123.089  487.189  137.727  250.717   19.822  191.495   29.768 59.22232 35.76353 
1 1 1  -16   11   10 o  229.924   15.750  670.986   89.884  720.527  119.226  605.754  136.811  237.048   20.338  215.387   25.959 21.66051 32.97752 
1 1 1  -16   11   11 o  177.137   15.197  398.944   66.573  433.387   85.181  344.889  106.712  183.834   18.821  161.281   27.481 22.55315 33.30809 
1 1 1  -16   11   12 o  116.266   16.042  173.961   45.336  145.896   53.482  245.617   85.458  105.198   21.093  135.945   26.122 -30.74749 33.57528 
1 1 1  -16   11   13 o  187.129   15.604  445.295   72.254  509.000   92.949  348.016  114.859  199.353   18.897  161.336   29.600 38.01695 35.11741 
1 1 1  -16   11   14 o  178.955   12.472  404.765   55.387  392.683   64.523  438.596  107.972  175.806   14.836  183.420   24.161 -7.613403 28.35212 
1 1 1  -16   11   15 o  562.230   18.624  4013.00  261.483  4252.66  369.839  3773.45  369.747  574.452   25.781  539.314   27.546 35.13831 37.72910 
1 1 1  -16   11   16 o   64.100   15.624   53.959   24.782   40.165   32.215   73.958   38.789   57.648   19.154   74.963   20.245 -17.31543 27.86999 
1 1 1  -16   11   17 o  159.387   10.650  320.344   42.146  327.413   57.738  312.280   61.664  160.469   14.567  156.389   16.016 4.079926 21.64951 
1 1 1  -16   11   18 o  104.841   12.291  140.100   31.567  161.605   42.860  114.603   46.668  112.036   15.755   93.088   20.619 18.94797 25.94952 
1 1 1  -16   11   19 o  376.398   14.455  1787.05  135.868  1895.08  191.591  1677.77  192.708  385.350   19.978  361.934   21.417 23.41611 29.28861 
1 1 1  -16   11   20 o  149.801   11.077  283.399   41.145  276.610   56.046  291.334   60.594  147.190   15.480  150.913   16.340 -3.722290 22.50829 
1 1 1  -16   11   21 o  253.594   11.430  808.205   72.384  807.847  101.127  808.581  103.652  252.232   16.140  252.241   16.547 -0.8163452E-02 23.11506 
1 1 1  -16   11   22 o  126.498   11.657  202.840   36.408  194.855   49.404  212.331   53.862  123.029   16.496  128.348   17.241 -5.318695 23.86194 
1 1 1  -16   11   23 o  188.149   11.066  446.308   51.765  425.339   71.554  469.332   74.978  182.729   15.838  192.025   15.775 -9.296936 22.35403 
1 1 1  -16   11   24 o  398.833   14.385  2007.85  143.273  1997.73  201.987  2018.10  203.257  395.113   20.542  397.116   20.567 -2.003021 29.06864 
1 1 1  -16   11   25 o  148.757   11.530  279.930   42.496  259.254   58.123  303.674   62.288  142.091   16.699  153.985   16.453 -11.89441 23.44298 
1 1 1  -16   11   26 f  255.873   12.474  824.697   79.704  903.585  112.156  744.207  113.289  266.335   16.952  240.983   18.979 25.35133 25.44739 
1 1 1  -16   11   27 o  451.690   23.230  2636.37  261.134  2467.23  379.657  2788.24  359.745  427.071   35.933  458.054   31.645 -30.98291 47.88079 
1 1 1  -16   11   28 o  270.164   13.312  921.810   89.807  879.293  113.312  993.637  147.277  262.267   17.400  277.242   21.440 -14.97534 27.61198 
1 1 1  -16   11   29 o  121.329   12.483  187.732   37.283  183.150   50.657  193.148   55.071  118.603   17.641  121.556   18.745 -2.953171 25.74060 
1 1 1  -16   11   30 o  112.867   17.617  166.549   48.030  279.194  127.984  148.083   51.818  139.799   36.329  105.527   20.402 34.27174 41.66551 
1 1 1  -16   11   31 o   78.986   20.898   83.805   41.860   2.7033  125.310   93.992   44.411   78.401   34.146   83.522   21.243 -5.121216 40.21488 
1 1 1  -16   11   32 o  181.534   14.999  423.432   67.386  387.843  155.976  431.600   74.720  161.511   39.093  182.733   16.554 -21.22249 42.45351 
1 1 1  -16   11   33 o  147.175   16.149  281.468   58.378  298.123  152.257  278.598   63.208  139.178   41.022  145.842   17.720 -6.664642 44.68505 
1 1 1  -16   11   34 o  142.552   15.884  264.833   55.584  555.009  160.316  225.185   59.260  195.021   34.164  130.234   18.763 64.78735 38.97726 
1 1 1  -16   11   35 o   99.789   36.196  140.313  116.322   0.0000   0.0000  140.313  116.322  ?   ?    99.789   36.196 0.000000 36.19562 
1 1 1  -16   11   36 o  111.047   33.398  186.766  100.143  246.171  174.190  157.439  122.391  121.805   44.276  103.120   37.170 18.68490 57.80997 
1 1 1  -16   11   37 o  150.738   17.261  301.341   63.803   0.0000   0.0000  301.341   63.803  ?   ?   150.738   17.261 0.000000 17.26094 
1 1 1  -16   11   38 o   72.015   21.637   71.751   42.048  293.589  191.658   60.533   43.098  126.500   46.373   67.227   22.146 59.27312 51.38929 
1 1 1  -16   11   39 o   45.350   18.398   14.213   32.501  169.754  205.610   10.227   32.915  105.469   44.797   44.156   18.279 61.31268 48.38284 
1 1 1  -16   11   40 o  119.150   17.966  193.149   51.795  361.192  229.401  184.122   53.168  128.700   49.925  115.701   19.066 12.99918 53.44191 
1 1 1  -16   11   41 o   57.706   21.001   41.199   39.205 -12.2905  229.051   42.813   39.793   85.753   40.542   58.486   21.177 27.26781 45.73973 
1 1 1  -16   12    1 o  220.036   10.490  608.277   57.640  599.075   79.170  618.657   84.083  217.245   14.680  220.615   15.358 -3.369141 21.24534 
1 1 1  -16   12    2 o  358.504   12.819  1619.41  114.761  1564.29  160.358  1677.27  164.308  350.220   18.400  363.219   18.115 -12.99826 25.82099 
1 1 1  -16   12    3 o  366.452   12.995  1692.16  118.920  1646.46  166.590  1739.64  169.812  359.288   18.632  369.869   18.385 -10.58154 26.17541 
1 1 1  -16   12    4 o  349.030   12.790  1534.42  111.475  1520.03  156.097  1549.40  159.250  345.414   18.161  348.670   18.355 -3.256042 25.82055 
1 1 1  -16   12    5 o  118.205   11.203  177.159   32.673  170.181   44.006  185.731   48.775  114.971   15.741  119.975   16.736 -5.003883 22.97524 
1 1 1  -16   12    6 o  273.850   11.108  942.396   75.959  926.482  105.870  959.279  109.046  270.212   15.758  274.915   15.953 -4.702850 22.42332 
1 1 1  -16   12    7 o  238.514   10.932  714.692   65.110  733.402   90.381  694.505   93.877  240.486   15.127  233.735   16.183 6.750458 22.15237 
1 1 1  -16   12    8 o  292.733   11.780  1077.53   86.111  1092.22  120.381  1062.15  123.227  293.284   16.504  289.014   17.151 4.269928 23.80190 
1 1 1  -16   12    9 o  295.623   11.674  1098.72   86.177  1077.74  120.242  1120.87  123.572  291.317   16.597  297.068   16.726 -5.750641 23.56314 
1 1 1  -16   12   10 o  256.515   11.050  826.622   70.784  768.525   98.028  889.915  102.318  246.003   16.045  264.928   15.534 -18.92461 22.33263 
1 1 1  -16   12   11 o  195.531   10.545  481.396   51.299  501.894   70.463  458.278   74.830  198.982   14.276  189.734   15.941 9.248001 21.39896 
1 1 1  -16   12   12 o  169.143   10.453  360.509   43.936  390.843   60.245  326.046   64.216  175.555   13.855  159.737   16.328 15.81827 21.41402 
1 1 1  -16   12   13 o  323.822   12.856  1320.06  103.956  1447.45  146.180  1189.72  147.868  337.513   17.403  305.217   19.502 32.29602 26.13832 
1 1 1  -16   12   14 o  366.456   19.426  1712.71  177.134   0.0000   0.0000  1712.71  177.134  ?   ?   366.456   19.426 0.000000 19.42603 
1 1 1  -16   12   15 o  388.940   15.817  1912.29  153.627  2038.93  188.789  1664.05  264.319  400.570   18.873  356.091   30.004 44.47897 35.44651 
1 1 1  -16   12   16 o  108.968   12.075  151.123   32.305  166.110   43.656  132.985   48.027  113.587   15.820  100.554   19.831 13.03338 25.36861 
1 1 1  -16   12   17 o   91.484   13.152  107.499   29.183  125.427   39.115   84.990   43.827   98.276   16.525   80.201   21.461 18.07466 27.08602 
1 1 1  -16   12   18 o  178.070   10.833  399.676   47.942  429.239   66.201  367.072   69.522  183.891   14.535  169.515   16.638 14.37573 22.09257 
1 1 1  -16   12   19 o  372.550   14.253  1750.61  132.601  1802.37  186.436  1697.63  188.635  375.711   19.943  364.236   20.825 11.47491 28.83417 
1 1 1  -16   12   20 o  361.123   13.842  1644.05  124.823  1660.97  175.390  1626.68  177.685  360.767   19.541  356.822   20.022 3.945740 27.97738 
1 1 1  -16   12   21 o  295.031   12.089  1094.93   89.064  1175.38  125.514  1013.35  126.401  304.251   16.582  282.000   18.044 22.25134 24.50641 
1 1 1  -16   12   22 o  216.200   11.402  589.158   61.343  607.538   85.447  569.612   88.117  218.637   15.756  211.402   16.831 7.235489 23.05518 
1 1 1  -16   12   23 o  148.895   11.830  280.577   43.624  309.403   59.838  247.877   63.733  155.669   15.603  138.383   18.940 17.28564 24.53942 
1 1 1  -16   12   24 o  146.647   11.949  272.341   43.378  290.613   59.633  251.806   63.216  150.690   16.096  139.552   18.603 11.13759 24.60020 
1 1 1  -16   12   25 o  224.573   12.365  636.953   69.078  671.680   96.619  600.642   98.798  229.499   16.980  216.541   18.447 12.95772 25.07155 
1 1 1  -16   12   26 o  142.549   16.434  260.954   57.430  142.193  120.894  295.565   65.264  106.337   37.070  151.536   17.573 -45.19936 41.02431 
1 1 1  -16   12   27 o  304.779   19.042  1190.19  144.198  951.238  217.684  1377.02  192.486  265.218   33.623  325.622   23.838 -60.40356 41.21569 
1 1 1  -16   12   28 o  176.741   12.146  395.679   53.281  393.413   68.315  399.200   85.131  175.380   15.767  175.505   19.769 -0.1254425 25.28633 
1 1 1  -16   12   29 o  157.415   11.050  313.668   43.162  262.625   58.745  373.550   63.628  142.629   16.817  170.915   15.062 -28.28674 22.57574 
1 1 1  -16   12   30 o  334.923   13.120  1420.37  109.734  1359.90  154.709  1481.60  155.671  324.649   19.168  339.312   18.441 -14.66296 26.59891 
1 1 1  -16   12   31 o   97.560   13.749  123.139   32.568   91.505   43.082  165.327   49.751   82.415   20.902  112.006   18.428 -29.59118 27.86576 
1 1 1  -16   12   32 o  152.485   15.846  300.752   59.456  249.656  143.125  311.408   65.363  129.342   40.129  154.720   17.209 -25.37764 43.66326 
1 1 1  -16   12   33 o  199.992   14.983  515.017   74.284  383.056  165.798  548.159   83.091  157.129   41.600  205.797   16.302 -48.66791 44.68006 
1 1 1  -16   12   34 o  231.698   15.691  694.662   90.252  531.615  189.900  742.235  102.577  183.500   42.307  238.627   17.332 -55.12624 45.72016 
1 1 1  -16   12   35 f   90.134   21.080  111.846   46.600   0.0000   0.0000  111.846   46.600  ?   ?    90.134   21.080 0.000000 21.07996 
1 1 1  -16   12   36 o   73.801   32.370   11.228  114.389   0.0000   0.0000   11.228  114.389  ?   ?    73.801   32.370 0.000000 32.36979 
1 1 1  -16   12   37 o  163.308   17.385  353.465   69.808  479.500  193.190  334.537   74.867  165.295   45.408  157.729   19.418 7.566040 49.38570 
1 1 1  -16   12   38 o  132.248   34.199  274.285  113.784  471.131  201.988  182.784  137.713  159.346   47.321  107.052   39.299 52.29453 61.51134 
1 1 1  -16   12   39 o  101.612   20.699  143.983   50.740   52.715  210.183  149.631   52.286   92.805   42.055  103.513   20.947 -10.70811 46.98310 
1 1 1  -16   12   40 o   44.181   18.356   10.051   33.365 -116.8676  221.638   12.994   33.749   79.431   38.187   45.377   18.618 34.05344 42.48383 
1 1 1  -16   12   41 o   70.058   21.532   69.517   41.317   91.476  244.992   68.875   41.918   95.261   43.995   69.781   21.728 25.48013 49.06821 
1 1 1  -16   13    1 o  158.851   10.570  318.526   41.688  343.311   56.530  288.976   61.725  164.311   13.908  150.001   16.765 14.31003 21.78290 
1 1 1  -16   13    2 o  239.452   10.730  720.714   64.160  716.033   88.336  725.942   93.343  237.473   14.973  238.910   15.734 -1.437042 21.71944 
1 1 1  -16   13    3 o  264.477   11.071  879.500   73.118  848.698  101.020  913.392  105.965  258.432   15.728  268.085   15.900 -9.651978 22.36454 
1 1 1  -16   13    4 o  397.746   13.823  1996.57  137.293  1947.30  192.535  2047.54  195.831  390.149   19.827  400.652   19.573 -10.50320 27.86086 
1 1 1  -16   13    5 o  450.248   15.130  2563.35  170.112  2483.55  239.031  2645.25  242.147  440.253   21.742  454.576   21.332 -14.32300 30.45910 
1 1 1  -16   13    6 o  150.109   10.647  284.484   39.652  299.824   53.717  266.118   58.777  153.487   14.175  143.987   16.654 9.500671 21.86989 
1 1 1  -16   13    7 o  274.227   11.253  945.377   77.057  939.438  107.249  951.714  110.787  272.011   15.858  273.665   16.285 -1.654175 22.73032 
1 1 1  -16   13    8 o  248.268   10.916  774.497   67.677  707.450   93.410  848.580   98.189  235.917   15.949  258.655   15.269 -22.73819 22.08021 
1 1 1  -16   13    9 o  192.345   10.706  466.153   51.219  479.431   70.502  451.312   74.536  194.322   14.636  188.194   16.013 6.128098 21.69370 
1 1 1  -16   13   10 o  709.800   22.363  6455.77  396.393  6329.25  559.410  6583.37  561.766  693.227   32.315  707.598   31.792 -14.37012 45.33199 
1 1 1  -16   13   11 o  385.748   13.706  1876.12  132.027  1946.27  185.685  1804.39  187.762  391.146   19.010  375.717   20.085 15.42874 27.65495 
1 1 1  -16   13   12 o  222.647   10.839  622.714   60.266  689.503   83.547  550.265   87.016  233.312   14.410  207.738   16.921 25.57442 22.22551 
1 1 1  -16   13   13 o  228.365   13.193  659.120   74.913  828.217  131.270  577.453   91.227  253.908   20.889  212.742   17.322 41.16618 27.13655 
1 1 1  -16   13   14 o  171.096   14.806  372.291   62.634  372.291   62.634   0.0000   0.0000  171.096   14.806  ?   ?  0.000000 14.80552 
1 1 1  -16   13   15 f  328.093   12.806  1355.34  104.919  1432.37  147.454  1276.35  149.319  335.590   17.657  316.276   18.994 19.31390 25.93373 
1 1 1  -16   13   16 o   83.882   14.032   91.067   28.354  105.589   37.774   72.325   42.913   89.782   17.477   74.464   21.730 15.31808 27.88617 
1 1 1  -16   13   17 o  110.767   12.452  156.305   33.845  134.020   45.476  183.976   50.674  101.175   18.688  119.241   17.542 -18.06592 25.63115 
1 1 1  -16   13   18 o  287.162   11.860  1037.04   85.047  1097.21  118.981  974.176  121.610  294.018   16.268  276.572   17.701 17.44656 24.04125 
1 1 1  -16   13   19 o  339.414   13.353  1451.62  113.178  1569.93  159.068  1330.32  161.067  351.160   18.202  322.486   20.101 28.67395 27.11738 
1 1 1  -16   13   20 o  255.572   11.876  821.526   75.795  832.891  105.441  809.375  109.031  255.938   16.587  252.048   17.430 3.890381 24.06087 
1 1 1  -16   13   21 o  208.204   11.278  546.437   58.421  535.693   80.780  558.219   84.591  205.184   15.889  209.376   16.308 -4.192413 22.76856 
1 1 1  -16   13   22 o  147.372   11.409  274.660   41.661  288.347   56.680  258.577   61.443  150.278   15.318  141.670   17.758 8.607941 23.45164 
1 1 1  -16   13   23 o  243.544   11.364  745.786   69.113  748.109   96.645  743.354   98.875  242.577   16.045  241.684   16.481 0.8936615 23.00156 
1 1 1  -16   13   24 o  210.111   11.845  557.240   61.894  586.492   86.071  525.915   89.069  214.588   16.181  202.721   17.774 11.86749 24.03626 
1 1 1  -16   13   25 o  183.133   11.897  423.907   54.111  419.242   74.396  429.147   78.848  181.072   16.639  183.000   17.466 -1.927536 24.12308 
1 1 1  -16   13   26 o  103.460   20.692  141.664   51.591   85.390  108.020  158.294   58.721   90.789   34.502  109.109   22.305 -18.32069 41.08345 
1 1 1  -16   13   27 o  134.388   18.670  234.640   60.963  131.113  119.590  270.987   70.861  103.125   36.788  144.136   20.245 -41.01085 41.99078 
1 1 1  -16   13   28 o  203.473   11.636  523.469   58.879  525.732   81.235  520.965   85.460  202.744   16.180  201.525   17.145 1.218765 23.57394 
1 1 1  -16   13   29 o  277.669   12.004  973.330   83.232  877.022  116.098  1075.17  119.387  261.261   17.903  289.963   16.557 -28.70123 24.38518 
1 1 1  -16   13   30 o  395.010   15.468  1987.97  152.577  1975.69  215.518  2000.32  216.037  389.081   22.274  391.573   22.185 -2.492310 31.43721 
1 1 1  -16   13   31 o  110.774   12.878  157.615   34.958  169.779   46.815  142.284   52.557  113.919   16.975  102.872   21.165 11.04705 27.13117 
1 1 1  -16   13   32 o  130.140   11.897  216.349   38.236  149.270   51.122  301.518   57.605  105.524   20.135  152.802   15.302 -47.27859 25.28989 
1 1 1  -16   13   33 o  175.210   15.919  397.804   68.890  305.540  157.462  419.644   76.611  139.823   41.840  179.406   17.315 -39.58366 45.28111 
1 1 1  -16   13   34 o  128.745   17.434  218.715   54.608  272.373  154.006  210.999   58.403  130.932   41.766  125.713   19.214 5.218262 45.97341 
1 1 1  -16   13   35 o  156.997   16.797  323.684   64.831  259.358  170.312  334.584   70.110  125.712   43.989  159.096   17.961 -33.38451 47.51487 
1 1 1  -16   13   36 o   95.433   37.411  119.430  129.852   0.0000   0.0000  119.430  129.852  ?   ?    95.433   37.411 0.000000 37.41058 
1 1 1  -16   13   37 o  205.265   27.071  598.437  135.377  533.560  205.472  648.203  179.958  173.339   46.504  204.188   36.639 -30.84976 59.20387 
1 1 1  -16   13   38 o  233.235   16.612  716.906   96.120  715.354  227.457  717.243  106.054  200.770   46.312  231.869   18.469 -31.09872 49.85910 
1 1 1  -16   13   39 o  271.050   17.117  974.586  115.263  1208.37  268.713  921.872  127.597  267.849   41.518  261.117   19.714 6.731934 45.96054 
1 1 1  -16   13   40 o   65.341   22.034   57.540   42.618  147.737  209.347   53.641   43.530  100.859   44.025   63.887   22.246 36.97179 49.32629 
1 1 1  -16   13   41 o   82.307   23.081   98.840   49.358  241.344  225.350   91.659   50.586  109.511   46.715   79.238   23.715 30.27286 52.38984 
1 1 1  -16   14    1 o  275.943   16.041  969.126  110.056  996.474  156.248  942.197  155.045  277.199   22.773  269.269   23.287 7.929626 32.57181 
1 1 1  -16   14    2 o  287.818   16.412  1054.62  117.468  1105.62  167.074  1004.76  165.192  292.015   23.100  277.870   24.043 14.14508 33.34217 
1 1 1  -16   14    3 f  295.596   11.635  1099.86   85.884  1062.53  119.087  1140.32  123.979  288.888   16.577  299.280   16.655 -10.39255 23.49853 
1 1 1  -16   14    4 f  112.790   11.846  161.871   32.866  140.629   43.456  190.258   50.236  103.880   17.365  121.280   17.059 -17.39987 24.34236 
1 1 1  -16   14    5 o  383.675   13.386  1857.16  128.250  1776.63  179.251  1941.61  183.572  372.722   19.325  390.337   18.833 -17.61487 26.98389 
1 1 1  -16   14    6 o  229.761   10.776  663.517   61.831  655.027   85.044  673.037   90.054  227.088   15.083  230.020   15.773 -2.931793 21.82378 
1 1 1  -16   14    7 o  118.702   11.490  178.861   33.633  184.099   44.916  172.175   50.744  119.686   15.384  115.011   18.280 4.675186 23.89212 
1 1 1  -16   14    8 o  183.200   10.545  423.029   48.040  411.039   65.557  436.934   70.601  179.773   14.732  185.230   15.403 -5.457306 21.31414 
1 1 1  -16   14    9 o  211.859   10.799  565.469   56.943  594.453   78.870  533.908   82.299  216.432   14.680  204.688   16.234 11.74394 21.88695 
1 1 1  -16   14   10 f  385.718   13.894  1877.24  133.824  1886.48  187.865  1867.72  190.678  384.197   19.647  382.094   20.054 2.103424 28.07426 
1 1 1  -16   14   11 f  124.241   11.429  195.700   35.061  192.393   47.165  199.784   52.417  122.334   15.809  124.345   17.354 -2.010925 23.47505 
1 1 1  -16   14   12 o   75.894   15.145   75.311   27.697   88.406   36.913   58.441   41.899   81.821   18.500   68.158   21.789 13.66361 28.58360 
1 1 1  -16   14   13 o  345.503   14.984  1508.35  129.282  1509.89  217.258  1507.50  160.862  340.916   25.709  343.753   18.811 -2.837494 31.85589 
1 1 1  -16   14   14 o  421.430   14.879  2243.61  156.586  2210.59  219.674  2277.72  223.262  415.311   21.253  421.573   21.276 -6.261078 30.07248 
1 1 1  -16   14   15 o  386.377   14.154  1883.77  136.567  1982.78  191.666  1781.66  194.637  394.565   19.453  372.873   20.989 21.69199 28.61685 
1 1 1  -16   14   16 o  386.983   13.683  1888.36  132.226  1869.21  185.036  1908.35  189.020  382.652   19.428  386.552   19.646 -3.899475 27.63009 
1 1 1  -16   14   17 o  138.997   11.395  244.481   39.203  253.170   53.290  234.232   57.876  140.704   15.419  134.779   17.617 5.925110 23.41211 
1 1 1  -16   14   18 o  177.406   10.914  396.915   48.115  383.698   65.558  412.347   70.839  173.583   15.280  179.843   15.939 -6.259766 22.07965 
1 1 1  -16   14   19 o  349.073   13.276  1535.74  115.725  1633.07  162.488  1435.55  164.859  358.051   18.233  335.046   19.792 23.00543 26.91045 
1 1 1  -16   14   20 o  169.399   11.052  362.152   46.498  348.815   63.598  377.467   68.154  165.362   15.585  171.966   16.056 -6.604416 22.37644 
1 1 1  -16   14   21 o  164.749   11.413  342.894   46.666  356.623   64.024  327.332   68.161  167.224   15.508  159.713   17.370 7.510971 23.28586 
1 1 1  -16   14   22 o  280.996   11.815  993.473   82.905  1001.38  115.552  985.084  119.017  280.612   16.563  278.108   17.222 2.504364 23.89452 
1 1 1  -16   14   23 o  170.825   11.547  368.723   48.969  388.863   67.217  345.945   71.484  174.624   15.578  164.105   17.725 10.51820 23.59762 
1 1 1  -16   14   24 o  251.902   12.071  798.976   75.931  793.994  105.249  804.383  109.651  249.546   16.991  250.991   17.606 -1.445221 24.46730 
1 1 1  -16   14   25 o  119.492   13.245  182.296   38.857  203.182   52.481  156.955   57.808  125.345   17.222  108.705   22.050 16.63914 27.97802 
1 1 1  -16   14   26 f  281.566   17.509  1012.77  122.498  1014.15  189.307  1011.78  160.671  277.141   27.726  279.042   23.270 -1.901062 36.19675 
1 1 1  -16   14   27 o   97.747   21.201  127.379   50.260  132.383  109.574  126.046   56.561  101.919   35.305   96.803   23.609 5.116066 42.47188 
1 1 1  -16   14   28 o  155.186   12.243  305.833   47.059  307.041   64.034  304.414   69.392  154.344   16.889  153.198   18.514 1.145966 25.06052 
1 1 1  -16   14   29 o  471.474   16.336  2835.42  192.330  2719.53  271.034  2952.96  272.967  455.742   23.898  476.267   22.951 -20.52551 33.13460 
1 1 1  -16   14   30 o  268.132   12.913  911.071   86.460  805.357  120.583  1022.92  124.035  249.061   19.545  281.787   17.717 -32.72581 26.37970 
1 1 1  -16   14   31 o  194.366   12.340  480.665   59.582  461.172   82.900  501.493   85.693  188.474   17.826  196.680   17.635 -8.206390 25.07459 
1 1 1  -16   14   32 o  151.091   12.156  291.466   45.476  290.690   62.333  292.349   66.493  149.337   17.019  149.323   18.209 0.1420593E-01 24.92401 
1 1 1  -16   14   33 o  196.223   12.180  491.337   59.387  503.702   83.470  478.662   84.511  196.634   17.171  191.309   17.898 5.325104 24.80304 
1 1 1  -16   14   34 o  147.032   16.522  283.114   59.614  261.631  153.589  286.924   64.685  128.112   41.787  147.430   17.940 -19.31812 45.47484 
1 1 1  -16   14   35 o   56.171   20.982   34.043   39.570 -169.6809  151.200   49.023   40.999   64.785   31.245   62.554   21.600 2.230724 37.98455 
1 1 1  -16   14   36 o   77.832   34.309   14.866  129.963   0.0000   0.0000   14.866  129.963  ?   ?    77.832   34.309 0.000000 34.30905 
1 1 1  -16   14   37 o  104.199   35.367  166.956  109.811  240.047  182.913  125.768  137.309  118.593   44.937   96.449   38.259 22.14422 59.01805 
1 1 1  -16   14   38 o  180.930   17.069  434.158   76.208  677.336  210.410  397.441   81.758  198.485   43.640  171.596   19.422 26.88910 47.76626 
1 1 1  -16   14   39 o  278.827   17.771  1036.45  123.091  901.249  270.545  1071.74  138.226  215.396   51.073  281.430   19.794 -66.03374 54.77517 
1 1 1  -16   14   40 o   64.272   22.035   55.028   42.628 -110.0505  210.412   62.093   43.531   78.001   37.423   67.306   22.261 10.69473 43.54289 
1 1 1  -16   14   41 o  188.591   17.022  478.786   79.301  669.331  253.237  458.069   83.500  169.436   53.505  183.260   18.499 -13.82364 56.61266 
1 1 1  -16   15    1 o  242.822   11.042  742.182   66.955  705.109   91.685  784.547   98.010  235.217   15.699  248.103   15.903 -12.88547 22.34669 
1 1 1  -16   15    2 o  296.361   11.822  1106.60   87.487  1080.60  120.947  1135.13  126.706  291.103   16.708  298.240   17.084 -7.136841 23.89594 
1 1 1  -16   15    3 f  186.340   11.918  439.191   55.169  423.770   68.154  468.500   93.958  182.312   15.106  190.312   20.073 -7.999954 25.12246 
1 1 1  -16   15    4 o  363.691   18.688  1691.58  169.155  1816.27  240.916  1570.34  237.562  372.812   26.041  345.484   27.770 27.32788 38.07027 
1 1 1  -16   15    5 o  349.949   18.374  1564.66  160.003  1573.50  227.691  1556.04  224.893  346.745   26.496  344.916   26.309 1.828522 37.33906 
1 1 1  -16   15    6 o  210.755   12.925  562.206   67.695  526.574  112.017  582.706   84.966  201.112   22.702  213.810   16.030 -12.69812 27.79110 
1 1 1  -16   15    7 o  229.415   11.008  661.866   63.065  655.630   87.020  668.765   91.525  227.049   15.440  229.143   16.097 -2.094269 22.30470 
1 1 1  -16   15    8 o  308.855   12.107  1201.25   93.380  1168.79  129.760  1236.11  134.486  302.876   17.228  311.455   17.360 -8.578186 24.45759 
1 1 1  -16   15    9 o  211.960   10.781  566.143   56.875  552.345   77.785  581.995   83.372  208.450   15.044  213.826   15.724 -5.375793 21.76195 
1 1 1  -16   15   10 o  131.732   11.510  219.934   37.483  188.188   49.991  260.698   56.648  120.638   17.071  142.558   16.200 -21.92049 23.53455 
1 1 1  -16   15   11 o  132.279   11.458  221.707   37.474  221.920   50.047  221.434   56.537  131.549   15.535  130.882   17.757 0.6665955 23.59279 
1 1 1  -16   15   12 f  122.826   18.111  195.690   53.882   0.0000   0.0000  195.690   53.882  ?   ?   122.826   18.111 0.000000 18.11079 
1 1 1  -16   15   13 o  199.653   14.962  506.615   74.051  506.615   74.051   0.0000   0.0000  199.653   14.962  ?   ?  0.000000 14.96152 
1 1 1  -16   15   14 o  309.951   12.098  1209.23   93.636  1159.16  129.957  1263.28  135.032  301.725   17.321  315.059   17.228 -13.33371 24.42980 
1 1 1  -16   15   15 o  297.745   11.875  1115.51   88.291  1070.99  122.271  1164.01  127.625  290.114   16.951  302.486   16.964 -12.37207 23.98183 
1 1 1  -16   15   16 o  436.797   15.130  2412.22  165.027  2387.18  231.365  2438.14  235.456  431.816   21.456  436.324   21.610 -4.507324 30.45232 
1 1 1  -16   15   17 o  183.972   10.764  426.719   49.235  408.320   66.726  448.708   72.948  179.114   15.058  187.669   15.710 -8.555222 21.76124 
1 1 1  -16   15   18 o  142.762   11.536  257.980   40.776  262.679   55.040  252.264   60.708  143.265   15.639  139.863   17.784 3.402908 23.68201 
1 1 1  -16   15   19 o  188.399   11.243  447.842   52.652  463.174   72.223  430.450   76.922  190.780   15.288  183.465   16.982 7.314651 22.85024 
1 1 1  -16   15   20 o  178.917   11.202  404.042   49.797  391.114   68.209  418.796   72.869  175.092   15.769  181.104   16.287 -6.011902 22.66991 
1 1 1  -16   15   21 o  216.964   11.450  593.726   61.815  570.650   85.086  619.519   89.956  211.619   16.225  220.480   16.457 -8.861389 23.10990 
1 1 1  -16   15   22 o  188.456   11.712  448.623   54.845  497.430   75.731  394.794   79.533  197.664   15.466  175.199   18.456 22.46484 24.07959 
1 1 1  -16   15   23 o  330.058   13.394  1374.55  110.398  1428.29  154.316  1318.21  158.003  334.365   18.554  320.665   19.829 13.69980 27.15611 
1 1 1  -16   15   24 o  303.553   12.968  1162.27   98.298  1214.84  136.505  1105.66  141.667  308.484   17.796  293.628   19.430 14.85617 26.34815 
1 1 1  -16   15   25 o  143.816   17.926  267.308   62.980  188.719  115.000  300.977   75.272  117.339   35.899  152.039   20.335 -34.69996 41.25864 
1 1 1  -16   15   26 o  219.092   16.532  613.591   89.782  668.107  149.615  582.911  112.237  224.398   27.259  211.813   21.518 12.58452 34.72898 
1 1 1  -16   15   27 o  172.973   12.566  379.738   53.910  327.547   68.914  462.046   86.542  159.292   17.620  189.199   18.556 -29.90688 25.58847 
1 1 1  -16   15   28 o   96.143   13.773  119.391   32.122  110.394   41.797  132.371   50.203   91.159   18.978   99.550   20.862 -8.390579 28.20275 
1 1 1  -16   15   29 o  319.900   13.385  1297.44  106.929  1326.96  150.059  1266.99  152.408  320.652   18.823  312.868   19.606 7.783905 27.17922 
1 1 1  -16   15   30 o  335.337   13.245  1427.36  110.915  1350.29  155.336  1507.53  158.424  322.658   19.368  341.440   18.651 -18.78238 26.88860 
1 1 1  -16   15   31 o  132.538   12.896  225.136   42.142  272.714   57.316  169.151   62.174  145.018   16.099  111.511   23.088 33.50742 28.14648 
1 1 1  -16   15   32 o  126.370   12.580  204.943   39.171  191.860   52.100  221.954   59.410  120.600   17.838  129.472   18.935 -8.872192 26.01412 
1 1 1  -16   15   33 o  171.082   12.121  374.132   51.447  346.196   70.826  405.338   74.857  162.397   17.754  176.083   17.245 -13.68648 24.75091 
1 1 1  -16   15   34 o  132.309   12.169  224.930   39.756  175.870   53.230  286.820   59.786  114.351   19.330  147.933   16.463 -33.58156 25.39048 
1 1 1  -16   15   35 o  144.239   18.157  276.586   63.952   0.0000   0.0000  276.586   63.952  ?   ?   144.239   18.157 0.000000 18.15747 
1 1 1  -16   15   36 o   87.664   23.722  108.570   53.195   0.0000   0.0000  108.570   53.195  ?   ?    87.664   23.722 0.000000 23.72233 
1 1 1  -16   15   37 o  140.364   33.838  304.777  117.223  568.953  194.447  153.953  146.923  182.887   43.255  102.149   39.863 80.73776 58.82181 
1 1 1  -16   15   38 o  120.284   19.769  197.958   57.316   61.597  188.127  211.910   60.177   91.911   40.857  124.381   20.056 -32.47092 45.51465 
1 1 1  -16   15   39 o  250.898   16.819  835.052  104.771  918.937  247.253  816.694  115.668  226.842   45.235  246.181   18.961 -19.33908 49.04815 
1 1 1  -16   15   40 o  142.022   18.697  275.219   64.698  246.406  225.128  277.813   67.547  112.418   47.263  142.162   19.544 -29.74408 51.14432 
1 1 1  -16   15   41 o  179.196   17.863  436.077   78.868  415.082  244.089  438.525   83.338  130.019   51.189  178.819   18.952 -48.79976 54.58511 
1 1 1  -16   16    1 o   79.921   15.736   83.870   30.288   71.652   38.847  102.812   48.369   73.540   20.425   87.557   22.116 -14.01671 30.10444 
1 1 1  -16   16    2 o  237.097   11.051  707.872   65.432  681.431   89.081  738.853   96.425  231.188   15.520  240.571   16.144 -9.383713 22.39445 
1 1 1  -16   16    3 o   82.117   15.479   88.249   30.577   82.332   39.950   96.617   47.510   78.647   20.227   85.001   22.156 -6.353737 30.00065 
1 1 1  -16   16    4 o   86.164   14.899   96.636   30.899  104.395   40.398   85.699   47.965   88.805   18.802   80.378   22.828 8.426918 29.57442 
1 1 1  -16   16    5 o  297.132   12.073  1112.79   89.580  1167.40  124.284  1053.74  129.230  302.679   16.505  286.924   18.129 15.75461 24.51748 
1 1 1  -16   16    6 o   79.120   15.783   82.106   30.091   75.660   39.150   91.412   47.038   75.562   20.311   82.840   22.261 -7.278297 30.13471 
1 1 1  -16   16    7 o  211.920   15.034  571.407   79.043  592.366  114.332  552.218  109.399  213.673   21.730  206.301   21.554 7.372391 30.60612 
1 1 1  -16   16    8 o  288.284   16.555  1058.49  118.679  1104.36  170.336  1015.22  165.445  291.585   23.596  279.335   23.949 12.24954 33.62036 
1 1 1  -16   16    9 o  526.902   24.886  3596.89  327.443  3717.00  465.093  3478.84  461.081  524.724   35.707  506.510   36.702 18.21393 51.20577 
1 1 1  -16   16   10 o  128.941   16.279  214.054   51.250  224.469   78.915  206.457   67.397  129.597   25.292  124.980   22.419 4.616180 33.79792 
1 1 1  -16   16   11 o  204.839   13.041  531.261   66.362  512.704  113.830  540.816   81.679  198.187   23.455  205.966   16.006 -7.779816 28.39619 
1 1 1  -16   16   12 o  268.661   13.558  913.199   90.669  902.258  105.683  943.709  176.482  266.371   15.961  268.195   26.706 -1.824951 31.11250 
1 1 1  -16   16   13 o  198.892   11.153  499.034   55.172  505.313   75.349  491.776   81.008  199.263   15.259  196.196   16.693 3.067200 22.61590 
1 1 1  -16   16   14 o  230.909   11.001  670.413   63.436  678.299   86.839  661.391   92.889  231.072   15.133  227.811   16.439 3.261246 22.34359 
1 1 1  -16   16   15 o  137.445   11.490  239.290   39.074  251.591   51.937  223.248   59.313  140.259   15.064  131.182   18.629 9.077362 23.95809 
1 1 1  -16   16   16 o  489.332   16.144  3034.65  197.278  3111.72  277.516  2955.91  280.493  492.032   22.586  479.022   23.449 13.00949 32.55723 
1 1 1  -16   16   17 o  146.362   11.573  271.179   41.952  291.651   56.225  245.465   63.011  151.121   15.101  137.617   18.830 13.50473 24.13698 
1 1 1  -16   16   18 o  320.844   12.499  1296.94  100.142  1209.94  138.424  1392.46  145.051  307.892   18.083  330.542   17.637 -22.64929 25.25966 
1 1 1  -16   16   19 o  191.808   10.970  464.054   52.327  456.449   70.860  473.175   77.603  189.367   15.110  192.533   16.294 -3.166779 22.22166 
1 1 1  -16   16   20 o  294.830   12.623  1095.47   92.936  1170.03  129.461  1016.20  133.493  303.046   17.178  281.686   19.090 21.36038 25.68120 
1 1 1  -16   16   21 o  419.714   14.299  2226.22  149.867  2217.84  209.439  2235.02  214.540  416.474   20.138  417.876   20.559 -1.402161 28.77902 
1 1 1  -16   16   22 o   82.817   16.375   89.952   32.664   92.352   43.357   86.802   49.674   83.313   20.881   81.057   23.300 2.255363 31.28760 
1 1 1  -16   16   23 o  251.602   17.177  808.435  107.280  722.800  165.941  869.927  140.617  233.001   29.158  259.263   21.925 -26.26245 36.48153 
1 1 1  -16   16   24 o  334.126   18.419  1428.49  153.090  1550.17  231.730  1334.26  203.930  343.288   27.256  319.195   25.805 24.09283 37.53373 
1 1 1  -16   16   25 o  158.949   17.412  325.513   67.982  297.108  123.804  337.775   81.343  145.838   34.529  160.947   20.720 -15.10838 40.26894 
1 1 1  -16   16   26 o  116.241   19.773  177.849   55.341  263.971  114.464  151.577   63.221  137.381   33.635  105.954   24.398 31.42748 41.55241 
1 1 1  -16   16   27 o  421.729   15.050  2259.68  158.495  2409.87  223.116  2106.69  225.190  432.225   20.671  402.386   22.501 29.83881 30.55480 
1 1 1  -16   16   28 o  234.764   11.698  696.083   68.580  698.507   94.895  693.433   99.224  233.363   16.388  232.184   17.236 1.179321 23.78353 
1 1 1  -16   16   29 o  300.229   12.791  1142.40   95.895  1097.37  134.213  1189.36  137.062  291.351   18.544  303.566   18.164 -12.21472 25.95764 
1 1 1  -16   16   30 f  226.538   11.305  649.043   63.951  605.604   88.008  697.639   93.085  216.749   16.381  232.833   16.109 -16.08395 22.97430 
1 1 1  -16   16   31 o  225.949   12.216  649.815   68.672  646.346   94.962  653.617   99.427  223.299   17.161  224.194   17.909 -0.8954163 24.80394 
1 1 1  -16   16   32 o   99.918   13.491  129.573   32.801  116.529   42.386  149.049   51.792   93.074   18.882  105.004   20.487 -11.93051 27.86138 
1 1 1  -16   16   33 o  124.787   12.706  200.589   39.042  178.505   52.042  229.020   59.047  115.613   18.661  131.310   18.522 -15.69689 26.29254 
1 1 1  -16   16   34 o  161.426   16.684  341.888   66.285  415.350  164.690  327.688   72.408  160.692   40.929  156.980   18.848 3.711533 45.06017 
1 1 1  -16   16   35 o  146.474   17.841  284.964   63.908  284.964   63.908   0.0000   0.0000  146.474   17.841  ?   ?  0.000000 17.84064 
1 1 1  -16   16   36 o  168.968   18.197  380.180   75.572   0.0000   0.0000  380.180   75.572  ?   ?   168.968   18.197 0.000000 18.19736 
1 1 1  -16   16   37 f  110.700   40.654  199.694  147.398   0.0000   0.0000  199.694  147.398  ?   ?   110.700   40.654 0.000000 40.65428 
1 1 1  -16   16   38 o  115.284   20.051  182.872   55.629  282.052  188.888  173.453   58.210  123.182   45.876  111.359   21.713 11.82345 50.75482 
1 1 1  -16   16   39 o  229.042   17.328  699.833   98.377  747.716  235.233  689.683  108.303  198.711   47.954  225.550   19.418 -26.83922 51.73637 
1 1 1  -16   16   40 o  207.975   17.253  580.370   88.796  696.616  237.568  561.492   95.735  183.743   50.304  202.974   19.113 -19.23056 53.81259 
1 1 1  -16   16   41 o  150.602   19.100  312.915   70.215  241.867  238.126  319.681   73.482  108.133   47.084  151.657   19.882 -43.52364 51.10945 
1 1 1  -16   17    1 o  312.439   12.452  1233.59   97.156  1278.14  134.242  1184.60  140.789  315.944   17.078  303.392   18.674 12.55264 25.30564 
1 1 1  -16   17    2 o  137.695   11.669  240.822   39.747  224.767   51.951  263.488   61.727  131.967   16.098  142.574   17.719 -10.60689 23.93993 
1 1 1  -16   17    3 o  211.611   11.054  565.615   58.208  572.272   78.654  557.556   86.547  211.852   14.964  208.548   16.760 3.304077 22.46812 
1 1 1  -16   17    4 f  192.254   11.031  467.001   52.736  491.791   70.928  436.355   78.861  196.465   14.561  184.210   17.348 12.25476 22.64861 
1 1 1  -16   17    5 o  387.791   13.874  1902.87  134.350  1892.69  187.441  1913.62  192.667  383.757   19.625  385.624   20.077 -1.866547 28.07542 
1 1 1  -16   17    6 o  144.837   11.490  265.898   41.216  259.063   54.491  275.035   63.007  142.053   15.619  145.881   17.655 -3.827652 23.57246 
1 1 1  -16   17    7 o  259.408   11.295  847.375   73.170  845.181  100.295  849.872  106.985  257.618   15.665  257.994   16.695 -0.3763123 22.89358 
1 1 1  -16   17    8 o  238.288   11.097  714.698   66.033  718.242   90.169  710.600   96.970  237.558   15.281  235.897   16.566 1.661285 22.53777 
1 1 1  -16   17    9 o  308.390   12.164  1198.83   93.678  1175.70  129.256  1224.41  135.961  303.540   17.122  309.571   17.661 -6.031372 24.59815 
1 1 1  -16   17   10 o  168.528   11.354  359.111   47.503  349.704   63.614  370.969   71.421  165.381   15.587  169.997   17.054 -4.615341 23.10418 
1 1 1  -16   17   11 o  131.242   22.884  227.934   72.271   0.0000   0.0000  227.934   72.271  ?   ?   131.242   22.884 0.000000 22.88368 
1 1 1  -16   17   12 o   59.073   21.156   38.606   39.586   63.766   66.040   24.496   49.456   75.419   27.285   57.839   22.956 17.57927 35.65755 
1 1 1  -16   17   13 f  202.082   15.278  520.044   76.528  563.376  114.398  484.946  102.958  208.145   22.360  193.177   21.719 14.96788 31.17183 
1 1 1  -16   17   14 o  163.533   15.714  341.934   63.381  361.483   98.167  327.960   82.998  165.552   24.484  158.510   21.525 7.041611 32.60044 
1 1 1  -16   17   15 o  201.127   15.551  515.455   77.497  507.315  116.616  521.894  103.710  196.751   24.248  200.758   20.998 -4.007309 32.07619 
1 1 1  -16   17   16 o  401.100   20.403  2064.60  203.684  2085.10  292.119  2045.21  284.151  397.204   29.665  393.773   29.103 3.431183 41.55716 
1 1 1  -16   17   17 o  218.782   15.746  609.657   85.454  641.424  129.253  584.990  113.897  221.759   23.708  212.390   21.783 9.368790 32.19564 
1 1 1  -16   17   18 o  318.508   17.947  1295.40  142.161  1327.36  209.458  1268.11  193.572  318.284   26.597  311.874   25.067 6.409393 36.54765 
1 1 1  -16   17   19 o  186.170   15.877  442.478   73.108  459.680  116.435  431.282   93.932  186.615   25.665  182.292   21.020 4.322708 33.17389 
1 1 1  -16   17   20 o  364.627   19.182  1702.28  174.044  1764.90  253.531  1646.46  239.351  366.296   27.928  354.146   27.275 12.14999 39.03653 
1 1 1  -16   17   21 o  197.678   15.807  498.599   77.376  609.450  125.503  430.627   98.277  216.003   23.654  181.719   22.113 34.28392 32.38040 
1 1 1  -16   17   22 o  423.534   21.038  2303.81  222.507  2458.47  324.740  2166.96  305.487  430.164   30.427  403.667   30.531 26.49704 43.10406 
1 1 1  -16   17   23 o  261.504   16.943  873.612  110.046  896.555  169.926  857.039  144.424  260.793   26.459  256.687   22.768 4.105865 34.90584 
1 1 1  -16   17   24 o  353.836   18.764  1605.66  165.207  1773.55  246.062  1467.86  222.925  366.818   27.053  333.597   26.991 33.22079 38.21528 
1 1 1  -16   17   25 o  109.144   13.794  153.094   36.756  164.991   48.683  137.320   56.055  112.334   17.960  101.095   22.753 11.23952 28.98739 
1 1 1  -16   17   26 o  269.871   12.769  920.946   86.055  980.994  119.979  857.322  123.499  276.510   17.465  257.635   19.337 18.87500 26.05684 
1 1 1  -16   17   27 o  262.457   12.277  871.008   80.466  942.580  112.043  794.772  115.636  271.141   16.628  247.974   18.814 23.16631 25.10901 
1 1 1  -16   17   28 o  208.861   11.525  552.891   59.879  515.327   81.715  596.453   87.996  200.054   16.504  215.322   16.491 -15.26782 23.33101 
1 1 1  -16   17   29 o  232.957   11.817  688.686   68.520  714.792   94.530  659.784   99.461  235.717   16.157  225.719   17.790 9.998398 24.03154 
1 1 1  -16   17   30 o  247.178   11.641  774.081   71.855  748.509   99.064  802.472  104.380  240.756   16.578  249.172   16.875 -8.416580 23.65581 
1 1 1  -16   17   31 o  286.349   12.446  1042.69   88.996  1061.02  124.133  1023.29  127.659  285.879   17.472  280.188   18.347 5.691803 25.33512 
1 1 1  -16   17   32 o  197.452   11.755  497.252   57.696  488.782   78.961  506.954   84.511  193.817   16.471  196.977   17.358 -3.159683 23.92884 
1 1 1  -16   17   33 o  173.604   11.684  385.280   50.356  327.397   67.596  457.459   75.483  157.691   17.459  187.251   16.305 -29.56023 23.88871 
1 1 1  -16   17   34 o  182.201   12.859  427.061   58.132  385.882   83.780  465.293   80.727  169.562   20.183  187.993   17.393 -18.43159 26.64319 
1 1 1  -16   17   35 o  115.857   13.174  174.435   37.437  171.173   49.225  178.911   57.655  112.883   18.072  114.140   21.002 -1.256073 27.70701 
1 1 1  -16   17   36 f  153.528   13.168  305.297   49.996  290.367   70.240  320.629   71.180  146.540   19.693  154.571   18.830 -8.030975 27.24677 
1 1 1  -16   17   37 o  146.422   43.170  378.116  168.599   0.0000   0.0000  378.116  168.599  ?   ?   146.422   43.170 0.000000 43.16984 
1 1 1  -16   17   38 o  273.685   17.488  996.031  118.894  916.173  251.479  1019.02  134.926  226.026   46.117  274.489   19.817 -48.46346 50.19426 
1 1 1  -16   17   39 o  204.497   17.292  559.320   87.475  595.528  223.324  552.758   95.072  172.032   49.391  201.849   19.088 -29.81775 52.95085 
1 1 1  -16   17   40 o  184.476   18.742  463.891   85.141  339.492  228.038  484.042   91.778  123.122   49.158  187.488   19.907 -64.36552 53.03603 
1 1 1  -16   17   41 o   65.842   22.870   59.325   45.995  226.678  220.633   51.721   47.029  105.902   45.715   63.132   22.997 42.77042 51.17370 
1 1 1  -16   18    1 o  267.362   17.944  921.297  119.107  1012.18  157.727  800.704  181.688  277.600   22.959  242.016   30.758 35.58400 38.38166 
1 1 1  -16   18    2 o  148.503   11.593  280.072   42.650  280.757   56.248  279.145   65.416  147.726   15.477  146.456   18.285 1.269409 23.95588 
1 1 1  -16   18    3 o  252.225   11.711  803.076   73.760  874.946  100.580  719.452  108.493  261.785   15.454  236.134   18.548 25.65079 24.14267 
1 1 1  -16   18    4 o  246.402   11.481  765.844   70.645  800.385   96.154  725.331  104.136  250.420   15.452  237.542   17.682 12.87808 23.48206 
1 1 1  -16   18    5 o  274.569   11.702  951.039   80.237  957.879  109.823  943.208  117.511  273.849   16.131  271.224   17.442 2.624573 23.75793 
1 1 1  -16   18    6 o  171.892   11.271  373.923   48.113  372.972   63.757  375.182   73.328  170.769   15.107  170.609   17.457 0.1595459 23.08614 
1 1 1  -16   18    7 o  265.759   11.527  890.303   76.496  896.598  104.615  883.070  112.140  265.125   15.874  262.632   17.194 2.492554 23.40112 
1 1 1  -16   18    8 o  435.593   14.926  2406.40  162.354  2391.67  227.144  2421.78  232.145  430.932   21.108  433.420   21.449 -2.488281 30.09289 
1 1 1  -16   18    9 o  198.548   11.049  497.880   54.565  475.797   73.513  524.972   81.425  193.049   15.377  202.590   16.231 -9.540894 22.35830 
1 1 1  -16   18   10 o  509.837   24.219  3375.58  308.345   0.0000   0.0000  3375.58  308.345  ?   ?   509.837   24.219 0.000000 24.21896 
1 1 1  -16   18   11 o  301.591   17.025  1161.31  127.693  1161.31  127.693   0.0000   0.0000  301.591   17.025  ?   ?  0.000000 17.02460 
1 1 1  -16   18   12 o  395.607   13.942  1979.40  137.732  1937.45  192.105  2023.78  197.576  388.373   19.875  396.882   20.000 -8.508942 28.19536 
1 1 1  -16   18   13 o  362.956   13.468  1664.54  122.068  1698.15  169.925  1628.69  175.468  364.143   18.750  356.079   19.812 8.063690 27.27790 
1 1 1  -16   18   14 o  351.277   12.939  1557.58  113.504  1491.50  157.248  1629.45  164.001  341.347   18.517  356.848   18.467 -15.50113 26.15175 
1 1 1  -16   18   15 o  261.935   11.521  864.054   75.360  778.497  102.830  963.318  110.761  246.910   16.777  274.971   16.202 -28.06091 23.32343 
1 1 1  -16   18   16 o  212.978   11.535  572.873   61.122  573.918   82.507  571.603   90.994  212.156   15.685  211.222   17.406 0.9344482 23.43053 
1 1 1  -16   18   17 o   92.129   20.222  112.811   45.246  139.633   82.776  101.381   54.033  101.773   30.309   87.108   24.049 14.66502 38.69096 
1 1 1  -16   18   18 f  465.087   22.686  2791.38  263.473  2884.47  378.623  2703.98  366.868  463.626   32.917  448.783   32.967 14.84299 46.58673 
1 1 1  -16   18   19 o  329.102   18.003  1384.99  147.397  1536.74  218.209  1257.64  199.894  342.628   25.690  309.560   26.102 33.06894 36.62405 
1 1 1  -16   18   20 o  338.353   16.297  1454.76  137.700  1716.43  237.161  1321.68  169.127  361.592   26.448  319.904   21.293 41.68829 33.95428 
1 1 1  -16   18   21 o  213.380   11.924  575.737   63.284  669.736   86.400  466.935   92.954  229.331   15.173  189.886   19.899 39.44511 25.02326 
1 1 1  -16   18   22 o  364.764   13.495  1682.49  122.924  1672.31  170.083  1693.63  177.859  361.006   18.933  362.904   19.700 -1.897797 27.32276 
1 1 1  -16   18   23 o  302.052   13.094  1153.35   98.765  1197.11  136.264  1104.92  143.356  305.599   17.934  292.761   19.724 12.83804 26.65837 
1 1 1  -16   18   24 o  248.127   11.880  776.976   73.609  777.023  101.197  776.923  107.266  246.391   16.543  245.990   17.578 0.4008942 24.13831 
1 1 1  -16   18   25 o  111.584   13.326  159.818   36.397  144.046   47.881  181.407   56.018  104.389   19.070  117.224   19.845 -12.83500 27.52256 
1 1 1  -16   18   26 o  275.789   12.323  962.093   84.872  995.320  117.309  925.598  122.943  278.438   16.952  267.772   18.499 10.66556 25.09185 
1 1 1  -16   18   27 o  186.307   11.656  440.480   53.956  452.470   73.298  426.297   79.717  187.594   15.793  181.334   17.835 6.260574 23.82278 
1 1 1  -16   18   28 o  101.608   13.902  133.671   34.348  111.011   44.274  167.927   54.436   90.837   20.054  112.199   20.170 -21.36221 28.44332 
1 1 1  -16   18   29 o  168.501   11.404  361.066   47.704  315.198   63.962  418.565   71.613  155.740   16.707  179.926   16.109 -24.18559 23.20846 
1 1 1  -16   18   30 o  310.684   12.945  1228.97  100.433  1147.13  139.062  1318.20  145.206  296.423   18.885  318.209   18.351 -21.78601 26.33265 
1 1 1  -16   18   31 o  201.787   11.983  519.500   60.110  526.026   82.094  511.956   88.258  201.168   16.487  197.660   18.081 3.507721 24.46906 
1 1 1  -16   18   32 o  297.576   12.964  1131.70   96.333  1191.14  134.706  1069.48  137.819  301.653   17.964  284.609   19.509 17.04462 26.51994 
1 1 1  -16   18   33 o  124.115   18.944  206.600   56.855  145.490  147.204  217.314   61.638  102.671   39.947  126.811   20.138 -24.14036 44.73547 
1 1 1  -16   18   34 o  217.567   16.552  620.440   89.252  620.440   89.252   0.0000   0.0000  217.567   16.552  ?   ?  0.000000 16.55174 
1 1 1  -16   18   35 o   99.541   13.921  130.054   33.656  115.585   43.102  152.660   53.876   91.763   19.415  104.974   21.281 -13.21156 28.80675 
1 1 1  -16   18   36 o  230.104   13.102  683.807   74.973  579.440  110.023  774.283  102.439  205.886   21.728  242.174   17.048 -36.28777 27.61741 
1 1 1  -16   18   37 f  153.926   43.700  423.326  175.804   0.0000   0.0000  423.326  175.804  ?   ?   153.926   43.700 0.000000 43.69970 
1 1 1  -16   18   38 o  261.904   17.528  914.611  113.977  1048.31  244.498  877.490  128.831  249.657   40.614  253.572   20.521 -3.914886 45.50384 
1 1 1  -16   18   39 o   90.233   22.948  117.749   51.827  340.173  198.936  101.553   53.680  128.291   47.212   83.440   24.291 44.85162 53.09473 
1 1 1  -16   18   40 o  135.394   20.396  256.065   66.821 -101.7225  210.598  296.116   70.462   77.222   37.150  146.154   19.817 -68.93192 42.10492 
1 1 1  -16   19    1 o   65.141   18.042   56.402   30.355   49.674   38.236   67.870   49.922   62.918   20.865   72.611   23.830 -9.692951 31.67403 
1 1 1  -16   19    2 o  242.262   11.773  742.486   71.221  822.777   96.253  645.336  105.877  253.471   15.278  222.717   19.225 30.75336 24.55687 
1 1 1  -16   19    3 f  167.871   18.053  366.024   74.488  424.833   91.762  252.405  127.546  179.903   20.810  131.871   37.146 48.03215 42.57819 
1 1 1  -16   19    4 f   57.381   22.244   29.100   45.515   31.898   50.982   18.111  101.031   60.355   23.501   74.016   31.418 -13.66129 39.23538 
1 1 1  -16   19    5 o  196.596   11.165  489.152   54.587  503.693   73.004  470.715   82.206  198.501   14.835  191.013   17.426 7.488831 22.88542 
1 1 1  -16   19    6 o  175.489   11.320  390.089   49.343  365.559   65.327  422.675   75.293  168.746   15.682  181.189   16.833 -12.44304 23.00613 
1 1 1  -16   19    7 o  176.632   11.350  395.084   49.796  399.078   65.958  389.789   75.936  176.584   15.103  173.700   17.756 2.884384 23.31042 
1 1 1  -16   19    8 o  360.477   13.276  1644.52  119.507  1597.02  165.569  1696.19  172.673  352.360   18.885  363.035   19.114 -10.67426 26.87029 
1 1 1  -16   19    9 o  179.602   13.793  410.831   61.390  389.009  101.673  423.352   77.013  171.194   24.480  181.360   17.211 -10.16570 29.92455 
1 1 1  -16   19   10 o  532.148   20.195  3642.64  268.366  3581.48  324.217  3775.74  478.271  523.784   24.788  523.315   36.833 0.4684448 44.39711 
1 1 1  -16   19   11 o  181.073   11.367  414.815   51.139  385.718   67.858  453.062   77.799  173.501   15.837  187.874   16.759 -14.37358 23.05749 
1 1 1  -16   19   12 o  167.352   11.402  354.549   47.366  361.564   62.753  345.262   72.208  168.150   15.106  163.482   17.985 4.668671 23.48702 
1 1 1  -16   19   13 o  136.721   12.146  237.644   41.038  226.279   54.075  253.079   63.018  132.321   16.739  139.542   18.544 -7.220932 24.98166 
1 1 1  -16   19   14 o  171.783   11.440  373.459   48.795  378.447   65.036  367.035   73.807  172.035   15.298  168.706   17.787 3.329498 23.46124 
1 1 1  -16   19   15 f  318.324   12.704  1279.57  100.987  1261.63  139.230  1299.48  146.695  313.909   17.835  318.282   18.537 -4.373169 25.72365 
1 1 1  -16   19   16 f   91.888   15.241  109.849   33.747   95.345   43.411  132.001   53.649   84.488   20.731   99.274   22.198 -14.78678 30.37295 
1 1 1  -16   19   17 o  236.908   11.558  707.372   68.380  661.532   93.261  760.670  100.560  227.433   16.534  243.934   16.607 -16.50046 23.43433 
1 1 1  -16   19   18 o  303.833   11.986  1164.38   90.941  1088.70  124.478  1251.01  133.184  291.782   17.159  312.862   17.112 -21.07999 24.23334 
1 1 1  -16   19   19 o  254.638   11.634  817.457   73.979  800.601  100.963  837.000  108.710  250.366   16.236  255.697   17.124 -5.331558 23.59773 
1 1 1  -16   19   20 o  290.052   12.281  1062.02   88.956  1035.48  122.217  1091.93  129.725  284.397   17.291  291.821   17.888 -7.423828 24.87879 
1 1 1  -16   19   21 f  287.555   12.362  1044.25   88.771  1003.28  121.841  1090.61  129.600  279.753   17.529  291.564   17.886 -11.81100 25.04407 
1 1 1  -16   19   22 o  267.884   12.008  906.008   80.331  850.763  109.323  970.844  118.433  257.610   17.091  275.164   17.324 -17.55371 24.33594 
1 1 1  -16   19   23 o  245.993   12.267  764.710   75.355  781.459  102.920  745.357  110.632  246.854   16.796  240.353   18.577 6.501022 25.04373 
1 1 1  -16   19   24 o  222.478   11.710  626.859   64.830  618.487   87.557  637.018   96.454  219.622   16.076  222.367   17.512 -2.744598 23.77215 
1 1 1  -16   19   25 o  281.335   12.421  1001.95   87.266  935.442  119.257  1078.60  128.037  269.357   17.831  289.323   17.808 -19.96558 25.20038 
1 1 1  -16   19   26 o  242.737   11.929  745.693   72.310  735.719   99.204  757.000  105.622  239.030   16.725  242.092   17.591 -3.061600 24.27322 
1 1 1  -16   19   27 o  181.979   12.115  421.458   54.742  451.923   74.001  384.639   81.354  187.191   15.984  171.304   19.357 15.88699 25.10364 
1 1 1  -16   19   28 o  210.208   11.925  562.056   62.342  530.406   84.599  599.669   92.224  202.317   16.900  215.006   17.324 -12.68906 24.20142 
1 1 1  -16   19   29 o  158.550   11.890  320.830   46.731  302.504   62.323  344.366   70.631  152.351   16.653  162.224   17.724 -9.872482 24.31938 
1 1 1  -16   19   30 o  172.818   11.995  381.519   51.445  400.021   69.346  358.871   76.722  175.470   16.002  164.824   18.987 10.64557 24.83084 
1 1 1  -16   19   31 o  170.074   12.538  370.936   52.875  434.231   72.159  297.542   77.702  182.639   15.982  148.376   21.605 34.26213 26.87427 
1 1 1  -16   19   32 o  207.223   11.891  549.249   61.273  536.362   83.680  564.146   89.969  202.452   16.701  207.170   17.556 -4.718582 24.23070 
1 1 1  -16   19   33 o   79.632   15.956   85.049   30.623   85.992   38.388   83.399   50.781   79.098   19.548   77.636   23.873 1.462532 30.85465 
1 1 1  -16   19   34 o   79.704   15.922   85.368   30.582   81.427   38.459   92.147   50.436   76.773   19.897   80.983   23.536 -4.210052 30.81958 
1 1 1  -16   19   35 o  133.685   13.058  231.976   43.036  226.647   57.202  238.926   65.328  129.910   18.127  132.238   20.442 -2.328293 27.32145 
1 1 1  -16   19   36 o  213.955   17.665  608.834   93.535  593.417  106.129  662.474  197.956  208.953   20.608  199.030   41.187 9.923218 46.05445 
1 1 1  -16   19   37 o  219.184   17.260  639.252   93.709  577.039  105.193  878.417  206.252  205.380   20.797  234.964   36.323 -29.58426 41.85582 
1 1 1  -16   19   38 o  138.544   19.347  262.828   65.108  449.983  186.730  236.926   69.467  153.462   45.481  129.654   22.257 23.80762 50.63527 
1 1 1  -16   19   39 o  121.936   21.161  209.241   62.098  153.352  194.158  215.609   65.541   99.385   42.893  123.200   22.116 -23.81522 48.25930 
1 1 1  -16   19   40 o  131.366   20.507  242.415   65.074  252.196  212.685  241.404   68.352  109.814   46.041  130.186   21.795 -20.37233 50.93931 
1 1 1  -16   20    1 o  100.898   14.244  132.572   34.892  175.883   44.680   64.865   55.863  115.976   15.842   72.121   25.196 43.85530 29.76215 
1 1 1  -16   20    2 o  135.976   12.213  236.517   41.027  247.835   53.229  219.954   64.396  138.169   15.706  128.231   20.824 9.937820 26.08347 
1 1 1  -16   20    3 o  160.554   11.722  328.204   46.674  372.120   61.213  267.211   72.139  170.157   14.546  141.692   21.026 28.46504 25.56696 
1 1 1  -16   20    4 o  150.546   11.863  288.691   44.237  260.903   57.520  328.924   69.212  141.727   16.565  158.917   17.743 -17.18954 24.27379 
1 1 1  -16   20    5 o  136.744   19.742  246.575   65.460  308.690   78.000   98.621  120.382  152.790   20.998   93.997   36.249 58.79220 41.89196 
1 1 1  -16   20    6 o   97.153   22.852  128.125   54.512  130.452   62.057  120.263  114.065   97.571   25.269   98.049   35.800 -0.4782257 43.81969 
1 1 1  -16   20    7 o   68.029   20.753   60.503   38.467   81.399   55.365   41.000   53.486   78.799   25.032   64.082   24.296 14.71695 34.88372 
1 1 1  -16   20    8 o  134.941   12.311  232.171   41.026  216.562   53.387  254.684   64.115  129.075   16.975  139.536   18.885 -10.46118 25.39308 
1 1 1  -16   20    9 o  151.296   13.958  292.841   52.141  281.698   77.722  301.959   70.311  145.821   22.031  152.175   18.910 -6.353851 29.03340 
1 1 1  -16   20   10 o  270.481   11.881  924.107   80.250  908.639  108.007  943.169  119.905  266.388   16.315  270.772   17.833 -4.383881 24.16990 
1 1 1  -16   20   11 o  154.344   11.839  302.517   45.284  332.847   59.709  261.453   69.477  161.149   15.010  141.076   20.306 20.07358 25.25188 
1 1 1  -16   20   12 o   43.685   17.392   13.154   28.469   13.320   35.946   12.876   46.629   47.776   19.360   52.867   21.810 -5.091522 29.16326 
1 1 1  -16   20   13 o  159.596   11.565  323.007   45.779  266.557   60.001  401.645   70.817  143.532   17.075  176.834   16.218 -33.30214 23.54930 
1 1 1  -16   20   14 o  262.159   11.820  867.497   77.384  871.425  105.354  862.895  114.035  261.031   16.243  259.161   17.727 1.870056 24.04324 
1 1 1  -16   20   15 o  315.499   12.567  1258.12   99.009  1267.81  135.774  1247.11  144.691  314.541   17.353  311.318   18.698 3.223145 25.50984 
1 1 1  -16   20   16 o  305.081   12.256  1175.70   93.368  1188.66  127.652  1160.79  136.921  304.767   16.838  300.486   18.335 4.281006 24.89360 
1 1 1  -16   20   17 o  250.965   11.758  794.898   73.688  761.626   99.604  835.125  109.521  243.895   16.450  255.113   17.294 -11.21776 23.86785 
1 1 1  -16   20   18 o  465.456   15.398  2755.64  178.978  2577.79  248.559  2947.15  257.927  445.129   22.433  477.102   21.649 -31.97247 31.17566 
1 1 1  -16   20   19 o  148.122   12.412  279.187   45.486  289.923   60.239  264.945   69.378  149.956   16.351  142.125   20.109 7.830627 25.91826 
1 1 1  -16   20   20 o  207.720   11.935  546.739   61.650  553.416   82.865  538.462   92.263  207.759   16.098  204.145   18.292 3.613785 24.36679 
1 1 1  -16   20   21 o  153.700   12.317  300.558   46.876  322.788   62.139  271.198   71.411  158.361   15.929  143.580   20.499 14.78123 25.96027 
1 1 1  -16   20   22 o  378.946   14.006  1823.61  132.541  1732.66  183.035  1923.88  192.181  365.629   20.124  385.388   20.038 -19.75934 28.39928 
1 1 1  -16   20   23 o  117.795   13.598  178.374   39.265  147.370   50.951  223.714   61.615  105.123   20.142  130.327   19.534 -25.20478 28.05871 
1 1 1  -16   20   24 o  129.381   13.035  214.435   41.542  242.492   54.982  177.110   63.415  136.704   16.435  114.441   22.988 22.26285 28.25920 
1 1 1  -16   20   25 o  360.610   13.497  1653.50  121.545  1581.56  167.566  1733.39  176.568  348.929   19.306  365.246   19.429 -16.31732 27.38952 
1 1 1  -16   20   26 o   93.868   14.899  115.183   33.758   93.036   43.401  149.102   53.711   82.833   20.964  105.104   21.196 -22.27075 29.81171 
1 1 1  -16   20   27 o  207.921   11.918  550.226   61.624  557.098   83.179  541.864   91.750  207.584   16.174  203.780   18.222 3.803757 24.36455 
1 1 1  -16   20   28 o   74.209   17.194   73.922   31.239   81.321   39.809   62.063   50.397   77.369   20.337   70.040   23.959 7.328812 31.42644 
1 1 1  -16   20   29 o  133.438   12.426  228.651   40.931  209.453   53.548  255.634   63.482  125.963   17.496  138.828   18.795 -12.86493 25.67784 
1 1 1  -16   20   30 o  103.526   13.865  139.669   34.943  103.326   44.492  198.176   56.451   86.735   20.808  121.597   19.231 -34.86139 28.33367 
1 1 1  -16   20   31 o  137.052   12.603  242.041   42.651  214.289   56.052  280.206   65.732  126.756   18.233  145.070   18.571 -18.31467 26.02522 
1 1 1  -16   20   32 o   82.656   16.190   91.647   32.222   95.793   41.576   85.411   50.988   83.327   20.192   78.439   23.885 4.888245 31.27624 
1 1 1  -16   20   33 o  110.320   13.605  158.901   36.687  134.881   46.393  198.994   59.938   99.331   19.399  120.564   20.651 -21.23268 28.33371 
1 1 1  -16   20   34 o  146.730   12.820  278.704   46.502  261.578   61.961  300.792   70.365  139.663   18.198  149.268   19.331 -9.605026 26.54927 
1 1 1  -16   20   35 o   99.058   14.870  130.074   35.647  131.898   46.182  127.387   56.068   97.838   19.586   94.337   23.801 3.500534 30.82362 
1 1 1  -16   20   36 o  272.967   18.297  996.144  123.998  899.668  145.151  1256.69  238.537  254.477   23.093  284.984   34.202 -30.50740 41.26785 
1 1 1  -16   20   37 o  276.316   17.446  1018.40  119.762  1054.53  136.851  900.229  247.495  278.668   19.795  222.014   46.147 56.65326 50.21318 
1 1 1  -16   20   38 o  120.194   13.851  190.421   40.813  200.289   52.507  175.357   64.872  121.288   17.872  109.642   24.329 11.64568 30.18792 
1 1 1  -16   20   39 o   99.484   23.432  144.834   57.252  255.448  193.187  134.184   59.945  112.247   45.094   94.841   24.968 17.40659 51.54496 
1 1 1  -16   20   40 o  197.558   17.858  532.247   87.147  849.944  248.225  487.584   93.071  199.739   49.908  186.812   20.276 12.92690 53.86956 
1 1 1  -16   21    1 o  157.536   11.863  317.975   46.325  388.646   60.680  219.245   71.722  173.362   14.140  125.771   23.705 47.59138 27.60217 
1 1 1  -16   21    2 o   75.097   17.299   76.032   31.774  104.209   40.143   28.773   51.989   87.709   18.887   58.937   23.491 28.77225 30.14145 
1 1 1  -16   21    3 f   68.138   18.262   62.542   31.705   75.242   39.946   40.922   52.119   74.426   20.726   62.921   23.952 11.50537 31.67491 
1 1 1  -16   21    4 o  101.668   14.434  134.715   35.616  146.048   45.535  116.856   57.162  104.792   18.052   91.827   24.481 12.96511 30.41735 
1 1 1  -16   21    5 o  125.496   12.756  202.233   39.421  219.050   51.227  177.815   61.729  129.620   16.178  114.398   22.410 15.22117 27.63941 
1 1 1  -16   21    6 f  129.672   12.678  215.536   40.528  247.020   52.517  169.177   63.727  138.067   15.500  111.207   23.674 26.86037 28.29680 
1 1 1  -16   21    7 o  135.656   12.671  235.535   42.426  283.720   55.292  166.547   66.160  148.266   15.147  110.110   24.673 38.15594 28.95100 
1 1 1  -16   21    8 o  162.006   18.741  343.233   74.420  311.597   89.332  414.986  134.534  151.950   24.366  171.282   32.645 -19.33195 40.73597 
1 1 1  -16   21    9 o  119.317   23.078  192.401   66.274  192.401   66.274   0.0000   0.0000  119.317   23.078  ?   ?  0.000000 23.07753 
1 1 1  -16   21   10 o   92.891   18.688  114.946   41.849  127.169   58.688  102.300   59.692   96.435   24.362   86.903   25.705 9.532852 35.41570 
1 1 1  -16   21   11 o  172.675   11.663  378.620   49.994  364.743   65.659  397.765   77.121  168.292   15.809  175.083   17.891 -6.791199 23.87444 
1 1 1  -16   21   12 o  211.306   11.440  565.713   60.141  493.619   79.873  660.095   91.390  195.785   16.490  226.684   16.252 -30.89900 23.15333 
1 1 1  -16   21   13 o  140.139   12.123  250.215   42.009  208.508   54.679  310.295   65.626  126.306   17.832  154.706   17.283 -28.39963 24.83269 
1 1 1  -16   21   14 o  151.465   12.119  291.959   45.455  300.164   59.642  280.589   70.210  152.581   15.886  146.225   19.732 6.356125 25.33171 
1 1 1  -16   21   15 f  126.693   12.850  205.323   40.091  172.516   52.131  252.811   62.719  114.381   18.912  139.096   18.517 -24.71468 26.46753 
1 1 1  -16   21   16 o  210.286   11.812  560.627   61.776  543.778   82.065  582.659   93.842  205.761   16.100  212.362   17.862 -6.600830 24.04678 
1 1 1  -16   21   17 o  113.845   14.042  166.999   39.074  161.360   50.554  175.368   61.581  110.505   19.005  114.236   22.388 -3.730537 29.36677 
1 1 1  -16   21   18 f  122.855   13.409  193.644   40.470  172.800   52.302  224.745   63.887  114.436   18.966  130.414   20.276 -15.97743 27.76384 
1 1 1  -16   21   19 o  360.403   13.189  1647.55  118.704  1596.09  162.615  1706.24  173.676  351.590   18.587  363.139   19.221 -11.54837 26.73796 
1 1 1  -16   21   20 o  242.140   11.745  741.518   71.018  694.093   95.859  799.219  105.736  232.238   16.639  249.077   17.103 -16.83937 23.86182 
1 1 1  -16   21   21 o   83.161   16.615   91.575   33.296   79.957   42.316  110.463   53.952   77.122   21.279   90.023   23.681 -12.90120 31.83686 
1 1 1  -16   21   22 o  192.883   11.968  472.891   57.363  449.177   76.295  503.728   87.002  186.464   16.557  197.010   17.879 -10.54579 24.36821 
1 1 1  -16   21   23 o  317.884   12.890  1283.46  102.322  1247.72  139.792  1324.71  150.176  310.400   18.113  319.349   18.916 -8.949310 26.18970 
1 1 1  -16   21   24 o  178.106   11.928  403.905   52.744  359.276   69.777  463.397   80.562  166.239   17.050  188.903   17.269 -22.66338 24.26764 
1 1 1  -16   21   25 o  107.829   14.363  150.999   37.712  147.716   48.611  155.962   59.768  105.114   19.228  106.739   23.094 -1.625114 30.05050 
1 1 1  -16   21   26 f  190.471   11.740  462.165   55.566  393.871   73.678  552.243   84.617  173.776   17.205  206.322   16.563 -32.54597 23.88152 
1 1 1  -16   21   27 o  118.612   13.434  181.838   39.089  207.806   51.166  145.435   60.579  125.805   16.699  102.325   24.104 23.47990 29.32396 
1 1 1  -16   21   28 o  177.246   12.098  401.828   53.226  383.075   70.610  426.505   81.001  171.199   16.730  179.967   18.277 -8.768356 24.77821 
1 1 1  -16   21   29 o  206.401   12.079  544.962   61.987  485.966   83.014  619.313   93.193  192.365   17.472  217.417   17.308 -25.05176 24.59344 
1 1 1  -16   21   30 o  129.078   13.023  215.486   41.404  241.324   54.483  180.167   63.699  135.338   16.460  113.769   23.207 21.56982 28.45194 
1 1 1  -16   21   31 o  148.244   17.176  290.954   62.406  375.921  138.248  269.210   69.937  155.160   36.322  140.889   20.478 14.27071 41.69665 
1 1 1  -16   21   32 o   76.637   20.005   81.263   38.696   81.263   38.696   0.0000   0.0000   76.637   20.005  ?   ?  0.000000 20.00543 
1 1 1  -16   21   33 o  129.652   13.392  218.821   42.735  245.105   56.217  182.839   65.774  135.701   16.960  113.504   23.958 22.19768 29.35338 
1 1 1  -16   21   34 o  137.830   13.504  247.527   45.882  225.512   62.177  273.847   67.985  128.379   20.050  141.876   19.722 -13.49702 28.12451 
1 1 1  -16   21   35 o  107.233   18.955  157.453   48.900  169.693   51.088   23.695  168.889  111.363   19.056   84.247   37.981 27.11520 42.49335 
1 1 1  -16   21   36 o  118.460   17.830  190.227   51.111  176.275   53.206  357.004  183.952  113.082   19.549  135.707   45.777 -22.62445 49.77604 
1 1 1  -16   21   37 f  274.731   17.032  1007.23  116.274  984.972  130.814  1090.97  253.761  268.882   19.618  249.607   42.217 19.27507 46.55243 
1 1 1  -16   21   38 o  115.266   14.053  175.983   39.613  168.231   50.435  188.465   63.999  110.162   19.021  114.121   23.247 -3.959229 30.03683 
1 1 1  -16   21   39 o  137.432   13.244  248.584   44.890  244.504   58.242  254.556   70.458  133.558   17.914  133.546   21.886 0.1158142E-01 28.28258 
1 1 1  -16   22    1 o   93.421   15.339  116.197   34.542  111.297   43.703  124.355   56.386   89.641   20.028   93.280   24.052 -3.638924 31.29856 
1 1 1  -16   22    2 o  106.604   17.949  152.998   46.084  191.910   63.292  109.093   67.231  117.559   22.377   87.379   27.566 30.17990 35.50531 
1 1 1  -16   22    3 o  124.342   13.240  200.415   40.478  246.047   52.482  133.417   63.593  136.983   15.622   96.643   25.848 40.34022 30.20170 
1 1 1  -16   22    4 o   51.802   18.486   31.102   30.201   66.680   37.927 -30.5511   49.927   70.081   20.422   43.633   20.046 26.44764 28.61633 
1 1 1  -16   22    5 o   75.808   17.648   77.658   32.784   73.674   41.313   84.433   53.878   73.560   21.279   78.677   24.656 -5.116692 32.56863 
1 1 1  -16   22    6 o  100.259   14.724  131.579   35.765  145.323   45.825  110.161   57.206  104.277   18.263   88.923   24.817 15.35495 30.81313 
1 1 1  -16   22    7 o   95.215   24.441  126.102   58.407   0.0000   0.0000  126.102   58.407  ?   ?    95.215   24.441 0.000000 24.44078 
1 1 1  -16   22    8 o   55.537   20.458   33.449   37.368   38.500   39.233 -15.9238  122.662   58.185   21.034   73.625   32.842 -15.44076 39.00052 
1 1 1  -16   22    9 o  222.546   11.718  629.887   64.894  676.726   86.683  570.161   97.883  229.281   15.226  208.618   18.997 20.66260 24.34610 
1 1 1  -16   22   10 o   70.431   18.257   66.609   32.376   80.085   40.504   42.763   53.879   76.924   20.652   64.346   24.387 12.57846 31.95658 
1 1 1  -16   22   11 o  114.433   17.066  171.995   47.278  175.266   50.860  151.197  128.246  115.130   18.303  105.535   38.048 9.594177 42.22102 
1 1 1  -16   22   12 o  103.420   21.532  144.749   53.802  122.167   59.417  247.570  126.786   94.146   24.893  129.311   37.241 -35.16553 44.79429 
1 1 1  -16   22   13 o  111.137   20.739  165.706   55.441  142.601   61.372  268.212  129.270  101.823   24.446  134.629   37.210 -32.80618 44.52195 
1 1 1  -16   22   14 o  215.267   13.505  591.727   72.230  610.344  112.106  578.514   94.447  215.273   21.126  210.996   18.100 4.277557 27.81972 
1 1 1  -16   22   15 o  106.926   14.557  148.361   37.858  132.518   48.591  172.832   60.392   99.298   20.282  113.098   22.176 -13.80087 30.05177 
1 1 1  -16   22   16 o   92.790   16.405  113.490   36.622  111.543   47.366  116.384   57.745   90.713   21.277   92.072   24.633 -1.358391 32.54988 
1 1 1  -16   22   17 o  196.343   11.946  490.182   58.295  511.846   77.596  462.114   88.323  199.360   15.714  188.011   19.076 11.34943 24.71520 
1 1 1  -16   22   18 o  160.275   12.064  327.383   47.931  268.941   62.692  409.601   74.360  143.381   17.899  177.728   16.960 -34.34651 24.65837 
1 1 1  -16   22   19 o  357.521   13.066  1624.97  116.657  1540.95  159.254  1722.27  171.367  344.585   18.576  364.095   18.913 -19.51016 26.50977 
1 1 1  -16   22   20 o  258.328   12.017  846.306   77.519  821.465  103.487  878.066  117.013  252.292   16.517  260.016   18.135 -7.723526 24.52917 
1 1 1  -16   22   21 o   88.001   16.409  102.533   34.734   73.878   44.313  148.186   55.933   74.250   22.190  104.363   22.148 -30.11341 31.35180 
1 1 1  -16   22   22 o  256.564   12.235  836.047   78.389  810.457  106.025  866.903  116.421  250.086   17.079  258.065   18.182 -7.979370 24.94566 
1 1 1  -16   22   23 o  277.536   12.658  980.134   87.724  943.999  118.609  1023.77  130.340  269.439   17.727  279.981   18.751 -10.54239 25.80378 
1 1 1  -16   22   24 o  175.570   12.358  394.007   53.836  386.263   71.137  404.387   82.361  172.176   16.757  175.121   19.146 -2.944427 25.44336 
1 1 1  -16   22   25 o  291.975   12.549  1086.25   91.500  1011.80  123.735  1176.09  135.922  278.418   17.892  300.004   18.229 -21.58582 25.54267 
1 1 1  -16   22   26 o  110.011   13.862  157.314   37.236  125.512   47.361  208.790   60.255   95.951   20.394  124.623   20.041 -28.67175 28.59337 
1 1 1  -16   22   27 o   99.565   15.213  130.523   36.625  122.294   46.498  143.974   59.446   94.589   20.293  101.458   23.863 -6.868866 31.32496 
1 1 1  -16   22   28 o  209.839   12.008  563.637   62.660  539.502   83.815  594.219   94.347  202.986   16.683  212.321   17.963 -9.334747 24.51487 
1 1 1  -16   22   29 o  264.735   12.551  897.409   82.972  871.674  111.900  928.838  123.660  257.394   17.514  264.694   18.831 -7.300110 25.71643 
1 1 1  -16   22   30 o  119.568   13.514  186.164   39.643  178.244   51.491  197.692   62.119  114.941   18.573  119.726   21.571 -4.784592 28.46465 
1 1 1  -16   22   31 o  107.554   14.782  152.521   38.651  131.392   50.602  182.115   59.886   97.026   21.455  114.525   21.735 -17.49865 30.54016 
1 1 1  -16   22   32 o   72.866   17.262   72.569   30.927   67.249   38.440   82.332   52.074   69.817   20.621   76.711   24.267 -6.893578 31.84527 
1 1 1  -16   22   33 o  196.746   13.911  503.731   67.904  552.544   98.227  459.053   93.975  202.109   19.713  183.214   20.915 18.89522 28.74101 
1 1 1  -16   22   34 o  109.673   18.652  164.259   49.255  155.591   51.121  276.551  183.998  106.003   20.046  121.571   45.278 -15.56799 49.51708 
1 1 1  -16   22   35 o  115.049   18.894  181.359   52.396  182.762   54.626  165.224  185.283  115.066   19.721  102.682   43.008 12.38419 47.31353 
1 1 1  -16   22   36 o   82.751   19.349   95.944   39.268   93.085   40.187  156.346  184.691   81.271   19.949  100.251   42.512 -18.97908 46.96032 
1 1 1  -16   22   37 o  243.698   13.416  775.710   81.331  821.972  111.163  722.422  119.306  246.418   18.194  227.826   21.214 18.59261 27.94741 
1 1 1  -16   22   38 o   93.187   15.414  117.520   34.614  125.560   42.846  102.412   58.733   94.750   18.772   82.649   25.717 12.10097 31.83967 
1 1 1  -16   22   39 o  153.814   12.854  310.825   48.921  264.822   63.114  380.066   77.430  138.119   18.786  165.516   19.083 -27.39651 26.77832 
1 1 1  -16   23    1 o   41.657   17.401   7.6783   30.218   24.116   37.998 -20.6013   49.840   51.090   20.171   44.747   20.356 6.342709 28.65674 
1 1 1  -16   23    2 o   62.137   18.479   52.732   30.785   45.907   38.596   64.667   51.040   59.965   20.943   69.437   24.093 -9.471142 31.92361 
1 1 1  -16   23    3 o  115.639   13.574  175.037   38.451  181.559   48.940  164.518   62.155  116.155   17.409  107.294   23.819 8.860458 29.50296 
1 1 1  -16   23    4 o   68.854   20.922   64.967   39.152   63.018   52.727   67.362   58.453   69.610   24.469   72.040   25.717 -2.429802 35.49835 
1 1 1  -16   23    5 o  136.364   16.254  245.588   54.259  287.362   75.545  201.080   77.979  144.862   21.539  117.785   27.078 27.07698 34.59980 
1 1 1  -16   23    6 o   98.544   15.548  128.660   36.993  158.939   48.096   84.800   57.886  108.632   18.386   78.571   25.655 30.06030 31.56256 
1 1 1  -16   23    7 o   93.961   16.312  117.620   36.885  145.770   45.929   66.488   61.902  104.078   18.342   73.022   26.417 31.05556 32.16036 
1 1 1  -16   23    8 o  115.472   13.725  173.270   38.801  204.041   49.463  124.041   62.563  124.498   16.302   93.558   25.897 30.93942 30.60093 
1 1 1  -16   23    9 o   65.324   18.654   57.400   31.938   56.780   40.111   58.474   52.794   65.844   21.348   68.831   24.455 -2.986687 32.46157 
1 1 1  -16   23   10 o  132.378   12.754  225.555   41.639  200.892   53.271  264.285   66.757  123.101   17.850  140.767   19.516 -17.66558 26.44790 
1 1 1  -16   23   11 o   89.390   15.980  105.921   34.362   85.608   43.172  141.032   56.759   79.083   21.359  101.014   23.015 -21.93036 31.39862 
1 1 1  -16   23   12 o  152.347   12.057  296.941   45.495  290.017   58.651  307.402   72.087  149.205   15.990  152.222   19.405 -3.016876 25.14488 
1 1 1  -16   23   13 o  128.852   12.985  213.696   41.213  220.660   52.717  202.749   66.093  129.743   16.656  121.979   22.528 7.763588 28.01623 
1 1 1  -16   23   14 o  187.135   14.426  450.987   66.892  469.904   73.686  362.358  159.495  190.548   15.623  152.234   41.027 38.31444 43.90112 
1 1 1  -16   23   15 o  143.385   19.100  272.216   66.688  262.158   74.752  311.432  147.604  139.311   22.235  141.826   39.964 -2.515488 45.73329 
1 1 1  -16   23   16 o  111.028   21.536  167.348   57.555  167.928   63.012  164.428  141.390  110.453   23.564  108.352   39.813 2.101128 46.26384 
1 1 1  -16   23   17 o  156.367   18.546  321.994   71.006  293.640   79.455  434.445  158.232  147.596   22.248  169.447   38.296 -21.85078 44.28951 
1 1 1  -16   23   18 o  133.151   14.973  230.096   48.923  220.269   68.251  240.483   70.163  127.442   22.256  133.488   21.801 -6.045151 31.15464 
1 1 1  -16   23   19 o  184.628   13.511  437.482   61.860  374.568   90.442  492.788   84.798  166.924   22.251  194.196   17.680 -27.27248 28.41995 
1 1 1  -16   23   20 o  321.391   13.152  1318.09  105.554  1256.18  143.727  1390.57  155.520  309.908   18.659  325.676   19.208 -15.76746 26.77856 
1 1 1  -16   23   21 o  110.240   14.801  158.582   39.716  163.745   50.895  150.543   63.509  110.550   19.128  103.824   24.830 6.726265 31.34390 
1 1 1  -16   23   22 o  165.417   12.266  350.314   50.306  320.801   65.953  391.374   77.791  156.411   17.168  172.363   18.356 -15.95184 25.13294 
1 1 1  -16   23   23 o  168.077   12.230  361.789   50.978  357.234   66.913  368.089   78.702  165.374   16.420  166.539   19.281 -1.165009 25.32526 
1 1 1  -16   23   24 o   97.827   15.608  126.380   36.847  111.601   46.412  151.574   60.600   90.080   21.017  104.202   23.809 -14.12146 31.75843 
1 1 1  -16   23   25 o  237.428   12.374  721.781   73.111  696.511   98.017  753.472  109.766  230.619   17.142  238.980   18.538 -8.360626 25.24929 
1 1 1  -16   23   26 o   61.088   18.444   49.768   30.500   44.567   37.354   60.170   52.827   59.775   20.619   69.130   24.473 -9.355122 32.00084 
1 1 1  -16   23   27 o   80.740   16.936   88.064   33.056   65.354   41.062  129.888   55.724   69.419   21.487   96.001   23.446 -26.58218 31.80278 
1 1 1  -16   23   28 o  151.201   12.570  295.033   47.032  302.387   61.515  284.686   72.967  151.334   16.547  144.578   20.810 6.755966 26.58689 
1 1 1  -16   23   29 o  112.345   14.235  165.597   39.041  172.355   49.868  154.898   62.748  112.958   18.305  104.083   24.541 8.875153 30.61644 
1 1 1  -16   23   30 o  121.305   14.654  193.504   43.491  188.546   58.602  199.583   64.888  116.858   20.847  119.358   22.598 -2.500114 30.74472 
1 1 1  -16   23   31 o   88.636   20.766  110.008   45.158  104.938   46.364  203.659  199.256   86.259   21.579  110.545   45.283 -24.28630 50.16169 
1 1 1  -16   23   32 o  107.854   15.350  154.673   40.175  156.304   52.299  152.324   62.750  106.070   20.486  102.496   24.788 3.574257 32.15784 
1 1 1  -16   23   33 o  183.109   17.465  448.475   78.891  405.366   85.246  705.682  208.224  172.117   20.219  201.126   42.774 -29.00903 47.31199 
1 1 1  -16   23   34 o  140.592   17.785  267.014   61.043  245.930   64.162  468.154  198.176  133.667   19.823  154.125   47.121 -20.45856 51.12129 
1 1 1  -16   23   35 o   71.105   20.371   71.195   38.027   74.093   38.814   1.9022  189.799   72.443   20.522   83.259   38.547 -10.81583 43.66976 
1 1 1  -16   23   36 o   99.242   15.078  132.159   36.192  117.287   44.816  160.044   61.367   91.005   20.243  104.450   24.028 -13.44530 31.41852 
1 1 1  -16   23   37 o  138.373   13.648  252.634   46.547  247.519   60.383  260.125   73.071  134.040   18.536  134.617   22.533 -0.5770721 29.17729 
1 1 1  -16   23   38 o   94.475   15.800  121.658   35.959  144.736   44.718   79.431   60.489  101.910   18.242   74.048   26.190 27.86242 31.91692 
1 1 1  -16   24    1 o   91.549   16.393  115.104   36.101  160.844   46.634   46.696   57.031  107.690   17.975   63.222   24.790 44.46807 30.62091 
1 1 1  -16   24    2 o  120.987   13.616  193.569   40.424  191.767   51.736  196.393   64.773  117.986   18.140  116.209   23.134 1.776863 29.39806 
1 1 1  -16   24    3 o   54.685   18.653   38.692   30.546   31.827   38.849   49.808   49.438   54.035   20.653   63.252   23.487 -9.216663 31.27628 
1 1 1  -16   24    4 o  116.247   13.693  177.944   38.988  225.594   49.963  103.756   62.343  130.066   15.700   83.864   26.554 46.20176 30.84876 
1 1 1  -16   24    5 o   36.801   16.135  -4.0219   28.398   18.554   35.397 -44.8004   47.572   48.170   19.320   39.390   18.578 8.780457 26.80275 
1 1 1  -16   24    6 o   77.782   21.945   85.411   44.479   81.092   62.723   89.779   63.084   76.747   26.704   79.705   26.808 -2.958076 37.83876 
1 1 1  -16   24    7 o   99.193   20.103  136.089   48.091  118.395   64.936  157.581   71.567   90.092   26.848  103.366   27.315 -13.27374 38.30032 
1 1 1  -16   24    8 o  103.216   18.243  144.398   45.300  147.431   67.434  141.903   61.154  100.635   26.477   99.460   24.728 1.175301 36.22789 
1 1 1  -16   24    9 o  139.787   12.563  252.456   43.386  247.447   55.530  260.305   69.514  136.708   16.607  138.144   20.795 -1.435913 26.61289 
1 1 1  -16   24   10 o  180.780   11.894  419.299   53.396  422.462   69.249  414.660   83.859  179.766   15.580  175.960   19.407 3.806503 24.88758 
1 1 1  -16   24   11 o   96.626   15.389  123.619   35.886  123.565   45.195  123.710   59.036   95.047   19.689   93.318   24.880 1.729317 31.72785 
1 1 1  -16   24   12 o  134.289   12.830  232.865   42.501  235.995   54.344  227.934   68.199  133.737   16.631  128.939   21.968 4.798370 27.55391 
1 1 1  -16   24   13 o   75.328   17.645   76.960   32.609   72.126   40.673   85.658   54.561   72.639   21.143   78.897   24.826 -6.257408 32.60896 
1 1 1  -16   24   14 o   74.709   18.104   75.843   33.422   80.977   42.319   67.335   54.484   76.718   21.322   72.125   24.901 4.593491 32.78212 
1 1 1  -16   24   15 o  160.380   12.129  329.875   48.218  310.346   61.969  359.841   76.761  153.872   16.379  164.499   19.038 -10.62694 25.11442 
1 1 1  -16   24   16 o   62.822   19.483   52.284   33.741   37.134   43.574   74.973   53.325   58.677   21.998   74.849   24.632 -16.17172 33.02523 
1 1 1  -16   24   17 o   57.640   19.201   42.119   32.367   39.304   40.733   46.940   53.313   58.630   21.396   64.903   24.333 -6.273617 32.40147 
1 1 1  -16   24   18 o  102.449   19.257  141.990   47.457  150.041   50.020   69.393  150.202  105.182   19.769   90.637   38.381 14.54470 43.17358 
1 1 1  -16   24   19 o  157.173   15.261  321.735   59.144  308.016   63.262  416.934  166.646  153.084   16.826  160.668   41.306 -7.583801 44.60197 
1 1 1  -16   24   20 o  208.437   17.783  571.689   91.678  524.562  105.054  722.202  187.742  197.189   21.693  219.367   35.484 -22.17767 41.58942 
1 1 1  -16   24   21 o  192.603   17.878  489.291   85.005  448.496   95.361  647.114  187.565  182.302   21.352  204.550   38.122 -22.24832 43.69460 
1 1 1  -16   24   22 o   56.556   20.878   35.743   38.951   21.471   40.260  244.656  154.036   51.819   20.666  122.352   41.886 -70.53348 46.70696 
1 1 1  -16   24   23 o  105.127   20.799  151.807   52.668  149.714   55.786  168.979  159.770  103.789   22.196  107.007   41.622 -3.217590 47.17006 
1 1 1  -16   24   24 o  122.231   20.178  203.266   59.440  227.294   63.937   50.252  161.349  129.231   20.497   88.477   38.635 40.75327 43.73481 
1 1 1  -16   24   25 o   84.956   21.771  100.981   46.399   89.711   48.354  231.961  164.850   80.002   22.986  117.733   43.030 -37.73170 48.78519 
1 1 1  -16   24   26 o  107.160   20.436  158.112   52.691  161.291   55.482  128.874  168.260  107.824   21.361   99.496   41.270 8.327637 46.47010 
1 1 1  -16   24   27 o  159.155   17.849  338.250   69.717  307.832   74.983  532.265  189.375  150.221   20.526  175.415   43.456 -25.19365 48.05972 
1 1 1  -16   24   28 o  118.611   19.060  191.514   54.544  168.857   57.135  424.454  183.197  109.991   21.572  152.774   44.988 -42.78252 49.89260 
1 1 1  -16   24   29 o   81.497   37.334  -7.3860  171.499   0.0000   0.0000  -7.3860  171.499  ?   ?    81.497   37.334 0.000000 37.33422 
1 1 1  -16   24   30 o   57.052   20.588   39.371   37.564   39.371   37.564   0.0000   0.0000   57.052   20.588  ?   ?  0.000000 20.58813 
1 1 1  -16   24   31 o   36.814   16.336  -7.4292   29.949  -7.9160   30.326   11.760  190.405   36.920   16.408   85.572   39.251 -48.65217 42.54313 
1 1 1  -16   24   32 o  114.335   18.944  179.432   52.194  166.071   54.166  352.997  195.224  109.011   20.654  132.389   47.027 -23.37809 51.36234 
1 1 1  -16   24   33 o   73.610   20.021   76.288   37.776   70.022   38.520  233.723  193.082   70.591   20.584  111.453   44.973 -40.86245 49.46037 
1 1 1  -16   24   34 o   98.677   18.856  135.152   44.769  126.763   45.856  305.833  206.841   94.941   19.974  120.376   47.208 -25.43582 51.26020 
1 1 1  -16   24   35 o   45.904   17.199   22.891   26.626   34.154   31.035  -8.5136   51.823   52.593   18.743   47.892   21.356 4.700893 28.41472 
1 1 1  -16   24   36 o   66.491   18.064   61.987   30.773   61.340   37.244   63.381   54.626   66.004   20.469   68.389   24.805 -2.384377 32.15994 
1 1 1  -16   24   37 o   51.314   17.704   33.869   27.541   35.314   32.075   29.812   53.728   53.103   19.040   57.514   23.532 -4.410767 30.27018 
1 1 1  -16   25    1 o   56.491   23.453   28.449   54.408   48.902   59.319 -79.9522  136.564   63.241   25.128   62.440   30.008 0.8018379 39.13900 
1 1 1  -16   25    2 o   75.521   25.735   86.512   58.143  109.329   64.171 -18.0905  137.401   83.237   27.003   68.932   32.212 14.30561 42.03296 
1 1 1  -16   25    3 o   53.262   18.663   36.668   30.662   35.420   38.615   38.798   50.444   54.716   20.668   58.998   23.257 -4.281368 31.11352 
1 1 1  -16   25    4 o   53.410   18.842   36.347   31.287   24.551   39.563   56.039   51.117   51.282   20.475   65.088   23.935 -13.80625 31.49827 
1 1 1  -16   25    5 o   57.846   23.214   32.629   51.134   0.0000   0.0000   32.629   51.134  ?   ?    57.846   23.214 0.000000 23.21369 
1 1 1  -16   25    6 o   50.660   19.931   24.588   36.977   24.588   36.977   0.0000   0.0000   50.660   19.931  ?   ?  0.000000 19.93066 
1 1 1  -16   25    7 o  109.575   14.324  159.319   38.256  159.806   48.539  158.521   62.156  107.604   18.745  103.978   24.364 3.626320 30.74064 
1 1 1  -16   25    8 o   50.773   18.535   29.956   30.572   2.5949   37.868   81.174   51.809   44.181   19.006   75.525   24.239 -31.34393 30.80129 
1 1 1  -16   25    9 o  208.921   15.853  576.736   82.093  696.312  116.519  458.877  115.679  225.194   20.961  177.436   26.955 47.75851 34.14598 
1 1 1  -16   25   10 o  234.170   16.221  724.142   94.273  764.248  133.783  684.585  132.864  234.167   23.183  220.153   24.588 14.01404 33.79347 
1 1 1  -16   25   11 o   91.884   19.579  116.910   43.550   68.813   63.972  158.454   59.454   73.054   26.790  105.546   23.191 -32.49199 35.43300 
1 1 1  -16   25   12 o   80.008   17.514   87.472   34.021  119.537   42.542   30.582   56.665   93.301   18.907   60.156   24.332 33.14426 30.81440 
1 1 1  -16   25   13 o   47.324   18.125   21.942   29.959  -9.0307   36.779   83.020   51.648   40.723   18.086   77.016   24.141 -36.29278 30.16422 
1 1 1  -16   25   14 o   98.073   15.558  127.991   36.830  161.710   46.965   74.130   59.357  109.547   17.778   74.484   25.975 35.06330 31.47564 
1 1 1  -16   25   15 o   32.250   14.975 -23.1029   28.948 -28.9495   35.989 -12.3867   48.723   35.731   16.626   46.375   20.692 -10.64456 26.54384 
1 1 1  -16   25   16 o   74.646   18.697   76.586   34.778   86.597   43.834   59.579   57.136   78.741   21.629   69.348   25.335 9.392693 33.31181 
1 1 1  -16   25   17 o   52.835   18.865   32.988   31.456   42.111   39.419   16.994   52.192   59.010   21.113   55.094   22.929 3.916306 31.16946 
1 1 1  -16   25   18 o   87.755   17.260  104.201   36.477   94.854   45.950  120.127   59.981   82.266   21.958   91.456   25.372 -9.189354 33.55429 
1 1 1  -16   25   19 o  108.660   15.012  155.777   39.646  150.769   50.615  163.727   63.773  104.784   20.074  107.242   24.367 -2.457878 31.57097 
1 1 1  -16   25   20 o  128.867   13.241  215.829   42.004  177.395   53.587  277.073   67.645  114.107   19.507  143.207   19.416 -29.10052 27.52299 
1 1 1  -16   25   21 o   58.922   19.027   45.633   31.889   54.696   39.516   28.713   53.995   64.294   21.206   58.917   23.780 5.377567 31.86207 
1 1 1  -16   25   22 o   67.752   18.788   62.976   32.896   22.787   40.427  141.731   56.593   52.034   20.722  100.019   23.121 -47.98495 31.04825 
1 1 1  -16   25   23 o   88.019   17.265  105.142   36.592  111.133   45.527   94.211   61.499   89.193   20.820   81.500   26.435 7.693245 33.64889 
1 1 1  -16   25   24 o   48.371   19.089   20.273   34.015   24.944   34.809 -78.6662  160.210   50.486   19.486   72.802   34.262 -22.31614 39.41533 
1 1 1  -16   25   25 o   43.764   18.327   7.8471   33.636   6.6174   34.336   37.068  167.380   43.743   18.428   85.768   38.304 -42.02525 42.50640 
1 1 1  -16   25   26 o  174.743   15.784  403.140   68.132  398.005   72.549  441.492  198.277  172.865   17.027  151.277   47.281 21.58801 50.25350 
1 1 1  -16   25   27 o   78.229   21.075   86.325   42.096   78.862   43.285  216.625  180.858   74.805   21.822  111.024   43.951 -36.21954 49.07031 
1 1 1  -16   25   28 o   73.519   31.687   35.238  105.665   26.606  130.452   51.705  180.179   77.256   34.198   88.156   39.529 -10.89992 52.26889 
1 1 1  -16   25   29 o  105.536   19.434  154.086   49.330  153.611   50.925  161.325  198.660  105.003   20.154  102.391   43.774 2.611473 48.19091 
1 1 1  -16   25   30 o  104.413   19.370  151.047   48.645  152.501   50.188  128.482  197.736  104.634   19.935   97.835   42.744 6.799881 47.16407 
1 1 1  -16   25   31 o  112.396   14.678  167.825   40.213  114.542   49.420  272.233   69.180   89.238   22.253  140.129   20.366 -50.89094 30.16567 
1 1 1  -16   25   32 o   63.693   18.430   56.207   30.987   58.837   37.359   50.408   55.472   65.188   20.547   64.823   24.703 0.3640976 32.13103 
1 1 1  -16   25   33 o   40.547   16.665   9.7235   27.096   35.943   31.320 -68.3024   54.029   53.512   18.854   39.057   18.796 14.45495 26.62305 
1 1 1  -16   25   34 o   91.710   17.006  115.671   37.514  121.271   45.486  103.762   66.332   92.307   20.287   82.855   27.483 9.451965 34.15892 
1 1 1  -16   25   35 o  166.884   13.363  366.559   55.221  371.154   72.297  360.125   85.555  164.708   17.864  158.624   22.207 6.083755 28.50058 
1 1 1  -16   25   36 o  116.247   14.804  181.613   41.999  183.286   52.981  178.785   68.898  114.127   19.277  107.981   25.887 6.145348 32.27589 
1 1 1  -16   25   37 o   55.289   17.960   41.703   28.385   33.325   33.241   64.260   54.540   52.297   19.291   67.825   24.757 -15.52821 31.38522 
1 1 1  -16   26    1 o   72.611   26.008   83.346   59.831   98.948   65.749   8.1941  144.303   77.485   27.316   69.578   32.672 7.906868 42.58658 
1 1 1  -16   26    2 o   56.963   23.799   30.257   56.531   39.569   61.461 -20.8903  144.047   60.493   25.005   67.635   32.028 -7.142109 40.63311 
1 1 1  -16   26    3 o   45.645   20.651 -11.1873   50.444   4.9642   54.665 -103.8221  130.915   50.685   22.300   58.905   28.569 -8.220119 36.24205 
1 1 1  -16   26    4 o   87.085   36.627  131.075  135.301   0.0000   0.0000  131.075  135.301  ?   ?    87.085   36.627 0.000000 36.62743 
1 1 1  -16   26    5 o   40.108   18.803 -35.4587   47.467 -38.7489   50.942 -13.7767  130.771   41.256   19.385   68.157   31.707 -26.90036 37.16333 
1 1 1  -16   26    6 o   46.500   18.099   21.755   30.228   46.379   37.539 -23.6552   50.978   58.870   20.649   44.004   20.231 14.86572 28.90796 
1 1 1  -16   26    7 o   38.582   16.708   0.3985   29.661 -28.9731   36.547   57.071   50.766   35.512   16.601   65.273   23.876 -29.76070 29.07994 
1 1 1  -16   26    8 o   98.139   15.521  130.553   36.773  155.435   46.475   88.892   60.137  105.780   18.254   77.423   26.173 28.35711 31.90969 
1 1 1  -16   26    9 o   33.007   15.140 -16.7967   28.328 -14.5532   34.657 -21.3133   49.174   37.631   17.063   43.967   20.085 -6.335587 26.35453 
1 1 1  -16   26   10 o  150.623   12.600  296.239   46.957  346.166   60.475  220.432   74.518  161.353   15.188  121.999   25.290 39.35310 29.50019 
1 1 1  -16   26   11 o   98.195   15.557  129.893   36.877  132.568   46.592  125.406   60.336   97.137   19.878   91.656   25.454 5.481361 32.29611 
1 1 1  -16   26   12 o   95.626   20.399  128.924   47.226  192.545   68.571   71.516   65.136  114.727   24.668   73.133   26.998 41.59415 36.57058 
1 1 1  -16   26   13 o   47.495   19.896   11.010   39.661  -4.1739   57.444   24.841   54.825   51.488   22.747   57.383   23.658 -5.895275 32.81984 
1 1 1  -16   26   14 o   81.511   21.395   94.549   44.101  127.714   67.908   70.360   57.996   92.228   27.449   72.121   25.630 20.10625 37.55476 
1 1 1  -16   26   15 o   99.630   15.863  133.318   38.142  150.007   48.635  106.654   61.477  104.124   19.419   85.212   26.277 18.91208 32.67406 
1 1 1  -16   26   16 o  122.074   14.104  196.150   42.203  221.083   53.775  156.164   68.099  128.149   17.242  102.590   26.421 25.55872 31.54935 
1 1 1  -16   26   17 o  155.514   12.575  313.849   48.417  290.229   62.248  350.024   77.035  147.090   17.276  160.120   19.680 -13.03024 26.18725 
1 1 1  -16   26   18 o   79.350   18.505   87.240   35.995   80.211   45.473   99.033   58.903   75.307   22.473   82.641   25.761 -7.333496 34.18519 
1 1 1  -16   26   19 o   76.690   18.621   81.622   35.305   88.639   44.429   69.598   58.156   79.038   21.802   72.127   25.662 6.911499 33.67292 
1 1 1  -16   26   20 o   49.170   18.571   25.595   31.174   5.5020   38.467   64.041   53.209   45.425   19.337   69.495   24.565 -24.06985 31.26316 
1 1 1  -16   26   21 o   64.497   19.148   57.197   33.075   46.783   41.055   76.457   55.830   60.814   21.569   74.215   25.218 -13.40162 33.18422 
1 1 1  -16   26   22 o   52.233   18.860   32.372   31.529  -2.9059   38.294  106.621   55.555   42.963   18.789   85.599   24.651 -42.63619 30.99541 
1 1 1  -16   26   23 o  190.566   12.066  469.379   57.125  447.395   74.034  501.726   89.803  183.478   16.329  192.428   18.934 -8.949234 25.00243 
1 1 1  -16   26   24 o   85.256   17.429   99.738   35.854  108.050   44.849   85.016   59.683   87.393   20.843   77.349   26.075 10.04368 33.38160 
1 1 1  -16   26   25 o  102.099   15.509  139.667   38.298  119.480   47.720  176.199   64.196   91.740   21.248  110.292   23.991 -18.55269 32.04760 
1 1 1  -16   26   26 o   50.955   18.440   30.729   30.165   28.549   36.472   35.451   53.667   52.161   19.994   59.992   23.881 -7.831467 31.14531 
1 1 1  -16   26   27 o   32.831   14.916 -13.3581   26.655 -36.1716   31.114   49.564   51.673   30.881   14.699   63.848   23.952 -32.96765 28.10267 
1 1 1  -16   26   28 o  128.674   15.194  220.333   47.880  208.826   64.157  234.800   71.934  121.348   21.981  127.871   23.389 -6.523041 32.09711 
1 1 1  -16   26   29 o  101.512   16.446  139.702   40.263  142.209   49.158  134.593   70.178  100.500   20.287   93.802   27.901 6.698181 34.49650 
1 1 1  -16   26   30 o  183.815   12.684  440.245   57.866  410.586   75.392  482.767   90.272  174.214   17.570  187.330   19.587 -13.11536 26.31234 
1 1 1  -16   26   31 o   35.513   15.557  -3.2127   26.351   19.424   30.997 -62.2105   50.041   46.239   18.230   37.825   18.174 8.414444 25.74176 
1 1 1  -16   26   32 f   79.474   17.798   88.198   34.444   96.033   42.441   73.080   58.955   81.729   20.756   72.209   25.822 9.520027 33.12982 
1 1 1  -16   26   33 o   69.508   18.557   68.272   32.814   55.233   39.512   97.250   58.904   63.286   21.216   80.403   25.849 -17.11751 33.44126 
1 1 1  -16   26   34 o  136.798   14.017  248.796   47.206  246.594   60.150  252.327   76.169  133.251   18.582  130.431   24.279 2.820129 30.57400 
1 1 1  -16   26   35 o   90.584   16.618  113.550   36.205   93.680   43.542  158.063   65.170   79.847   21.402  101.133   25.740 -21.28622 33.47510 
1 1 1  -16   26   36 o   99.303   16.067  135.651   38.482  121.944   46.450  165.649   68.716   91.312   20.831  102.394   26.625 -11.08162 33.80578 
1 1 1  -16   27    2 o   41.348   19.504 -36.3785   52.471 -28.8182   55.973 -91.1895  150.711   43.974   20.552   61.196   29.896 -17.22165 36.27901 
1 1 1  -16   27    3 o   78.023   26.802  101.403   63.083  105.325   69.272   82.353  152.678   78.765   28.009   77.161   35.303 1.604576 45.06461 
1 1 1  -16   27    4 o   42.143   19.676 -29.9655   51.091 -47.8142   55.060   80.607  137.044   41.160   19.581   76.964   34.495 -35.80352 39.66508 
1 1 1  -16   27    5 o   64.572   25.500   55.305   60.744   55.305   60.744   0.0000   0.0000   64.572   25.500  ?   ?  0.000000 25.50010 
1 1 1  -16   27    6 o   45.430   20.525 -10.4358   49.633   1.6805   53.421 -86.9009  134.202   49.494   21.898   60.856   29.372 -11.36166 36.63628 
1 1 1  -16   27    7 o   44.138   20.076 -15.0452   48.464 -27.8424   51.856   73.268  136.225   43.296   20.082   78.378   34.808 -35.08203 40.18567 
1 1 1  -16   27    8 o   94.375   16.121  123.013   36.628  170.031   46.428   45.518   59.605  110.471   17.406   62.582   25.081 47.88894 30.52910 
1 1 1  -16   27    9 o  102.091   15.211  141.764   37.596  147.966   47.289  131.111   61.980  101.956   19.280   91.558   25.931 10.39840 32.31302 
1 1 1  -16   27   10 o   67.628   18.811   65.208   32.924   64.345   40.478   66.896   56.595   66.966   21.418   69.092   25.219 -2.125145 33.08630 
1 1 1  -16   27   11 o   85.313   17.321  101.500   35.641  103.380   44.340   98.067   59.912   84.233   21.119   80.255   26.095 3.977242 33.56995 
1 1 1  -16   27   12 o   60.612   19.181   50.925   32.531   60.384   40.318   33.279   55.068   65.504   21.412   58.895   23.929 6.608974 32.10980 
1 1 1  -16   27   13 o   87.992   16.938  106.919   35.868  116.417   45.124   90.618   59.114   90.089   20.517   78.045   25.947 12.04435 33.07850 
1 1 1  -16   27   14 o   33.497   15.390 -17.8289   29.437 -29.0164   36.627   2.5807   49.471   35.664   16.654   49.191   21.439 -13.52693 27.14710 
1 1 1  -16   27   15 o   41.574   18.693 -12.1026   40.594 -60.2039   62.654   22.699   53.293   44.002   20.920   55.799   23.192 -11.79747 31.23300 
1 1 1  -16   27   16 o  126.402   19.158  221.414   58.577  229.111   88.870  215.501   77.892  120.674   29.694  119.285   26.803 1.389465 40.00111 
1 1 1  -16   27   17 o  126.227   18.954  220.136   57.898  238.797   89.581  206.748   75.876  123.671   29.432  117.064   26.564 6.606300 39.64763 
1 1 1  -16   27   18 o  119.409   14.600  189.685   42.629  181.634   54.362  202.544   68.698  114.011   19.813  117.642   24.192 -3.631393 31.27017 
1 1 1  -16   27   19 o  108.528   15.597  158.372   41.055  164.452   52.171  148.483   66.536  108.274   20.033   99.037   26.417 9.237671 33.15366 
1 1 1  -16   27   20 o   70.464   19.248   69.901   34.828   49.773   43.309  106.743   58.593   61.979   22.135   84.638   25.567 -22.65935 33.81767 
1 1 1  -16   27   21 o   78.008   18.590   85.295   35.700   93.408   44.314   70.292   60.259   80.553   21.591   71.814   26.051 8.739738 33.83517 
1 1 1  -16   27   22 o   41.369   17.303   7.6598   29.928   30.859   36.652 -38.7577   51.844   52.923   20.101   42.286   19.769 10.63696 28.19294 
1 1 1  -16   27   23 o  127.160   13.852  213.522   43.275  198.778   55.070  237.324   69.972  119.862   19.035  128.785   22.581 -8.923363 29.53341 
1 1 1  -16   27   24 o   48.155   18.520   23.732   31.360   20.816   38.329   29.638   54.541   49.854   20.066   58.244   23.756 -8.389332 31.09603 
1 1 1  -16   27   25 o   57.959   19.069   45.050   31.959   43.317   39.041   48.570   55.641   58.487   21.003   64.041   24.659 -5.554260 32.39122 
1 1 1  -16   27   26 o   54.883   18.862   38.985   31.245   29.785   37.471   59.980   56.603   52.711   20.251   67.802   25.141 -15.09123 32.28253 
1 1 1  -16   27   27 o   81.487   19.417   93.987   38.950  104.768   50.139   77.580   61.855   84.499   23.100   74.113   26.455 10.38589 35.12094 
1 1 1  -16   27   28 o  116.324   19.615  189.237   54.950  189.237   54.950   0.0000   0.0000  116.324   19.615  ?   ?  0.000000 19.61478 
1 1 1  -16   27   29 o  124.104   14.785  205.704   44.918  187.172   56.792  236.666   73.406  114.996   20.530  127.033   24.020 -12.03780 31.59820 
1 1 1  -16   27   30 o   39.815   16.884   4.9068   29.128   14.476   34.591 -18.4175   54.006   45.880   18.839   46.627   21.203 -0.7475777 28.36310 
1 1 1  -16   27   31 o   77.532   18.672   85.230   35.719  107.500   43.632   39.979   62.196   86.338   20.537   62.537   25.422 23.80017 32.68051 
1 1 1  -16   27   32 o   76.019   18.587   82.155   34.989   83.148   42.289   79.999   62.297   75.430   21.439   74.040   26.537 1.389740 34.11504 
1 1 1  -16   27   33 o   45.265   17.932   18.852   30.128   22.759   35.209   8.1665   58.223   48.803   19.369   53.327   23.249 -4.524063 30.26018 
1 1 1  -16   27   34 o   60.144   18.945   50.852   31.763   23.836   37.249  122.845   60.807   49.808   19.874   88.513   25.877 -38.70501 32.62809 
1 1 1  -16   27   35 o   91.770   17.405  118.465   38.427  122.940   46.896  109.321   67.040   91.327   21.001   82.490   27.636 8.836517 34.71026 
1 1 1  -16   28    4 o   40.108   19.226 -52.1715   55.275 -52.1715   55.275   0.0000   0.0000   40.108   19.226  ?   ?  0.000000 19.22624 
1 1 1  -16   28    5 o   67.164   25.304   69.333   57.791   34.518   62.397  279.408  153.275   58.353   24.726  103.690   40.646 -45.33760 47.57539 
1 1 1  -16   28    6 o   44.094   20.264 -17.6170   51.069 -31.5433   54.751   75.609  141.659   43.258   20.253   75.626   34.370 -32.36785 39.89309 
1 1 1  -16   28    7 o   67.246   25.054   67.288   56.346   63.357   60.993   90.177  147.170   66.444   25.752   78.592   35.441 -12.14833 43.80901 
1 1 1  -16   28    8 o   64.772   24.671   58.823   55.312   35.702   59.615  201.853  148.271   59.021   24.530   95.422   39.072 -36.40091 46.13428 
1 1 1  -16   28    9 o   55.968   23.070   30.393   52.120   30.813   55.835   27.547  145.299   57.081   23.733   72.892   33.740 -15.81069 41.25130 
1 1 1  -16   28   10 o   40.885   18.101  -3.5767   36.566 -22.6298   51.630   15.599   51.795   44.012   20.281   52.189   22.333 -8.177578 30.16700 
1 1 1  -16   28   11 o  105.764   15.255  152.860   39.125  174.608   49.147  115.229   64.649  111.150   18.347   84.611   27.068 26.53921 32.69965 
1 1 1  -16   28   12 o  105.193   15.152  150.758   38.653  166.196   48.209  122.968   64.682  108.477   18.458   87.648   26.941 20.82938 32.65745 
1 1 1  -16   28   13 o   62.465   19.461   55.426   33.622   45.305   41.705   74.216   56.825   58.950   21.629   71.171   25.362 -12.22158 33.33206 
1 1 1  -16   28   14 o   74.404   18.647   79.214   34.577  126.934   43.006  -8.0300   58.149   94.516   18.882   49.878   22.404 44.63774 29.29971 
1 1 1  -16   28   15 o   89.278   17.505  111.529   37.632  125.424   47.428   87.911   61.833   92.816   20.958   76.349   26.517 16.46707 33.79957 
1 1 1  -16   28   16 o   67.331   19.689   64.873   35.200   62.754   43.998   68.640   58.669   66.486   22.388   69.944   25.654 -3.458023 34.04944 
1 1 1  -16   28   17 o   99.492   16.542  136.042   39.654  135.461   49.634  137.067   65.936   96.629   21.156   93.600   26.827 3.029343 34.16506 
1 1 1  -16   28   18 o  183.449   12.805  441.685   58.293  468.266   74.712  400.327   93.196  186.231   16.228  165.981   23.112 20.24951 28.23986 
1 1 1  -16   28   19 o  114.567   21.148  188.333   58.275  267.847   92.728  136.429   74.918  129.931   29.281   92.299   29.097 37.63161 41.27960 
1 1 1  -16   28   20 o   91.708   23.742  125.777   54.797  220.802   89.564   68.928   69.275  116.548   30.441   71.677   27.536 44.87112 41.04759 
1 1 1  -16   28   21 o   78.957   24.074   92.883   51.775  115.118   86.320   80.390   64.706   85.523   31.156   74.631   27.007 10.89207 41.23217 
1 1 1  -16   28   22 o   69.465   20.065   68.966   36.756   63.083   46.073   79.264   60.960   67.067   22.908   74.037   26.281 -6.970032 34.86346 
1 1 1  -16   28   23 o   89.649   17.871  112.174   38.603  101.929   47.733  131.541   65.630   83.201   22.453   92.077   26.874 -8.875313 35.01930 
1 1 1  -16   28   24 o   53.736   19.108   36.554   32.238   31.301   39.330   47.310   56.278   53.593   20.705   63.272   24.677 -9.679806 32.21246 
1 1 1  -16   28   25 o   39.088   16.798   2.1405   29.528   2.5941   35.306   1.0846   53.862   42.420   18.299   50.466   22.172 -8.045937 28.74805 
1 1 1  -16   28   26 o  102.227   23.428  155.004   58.525   80.576  114.982  181.029   67.992   79.978   33.709  109.241   25.404 -29.26286 42.20970 
1 1 1  -16   28   27 o   72.150   22.051   75.767   43.403   75.767   43.403   0.0000   0.0000   72.150   22.051  ?   ?  0.000000 22.05128 
1 1 1  -16   28   28 o   93.889   17.062  122.123   38.529  108.380   47.538  148.436   65.778   85.738   22.072   97.756   26.348 -12.01810 34.37168 
1 1 1  -16   28   29 o   63.724   19.508   57.527   33.952   46.971   40.897   80.933   60.899   59.714   21.491   74.106   26.272 -14.39215 33.94177 
1 1 1  -16   28   30 f   67.359   19.304   65.025   34.143   55.070   41.318   86.463   60.630   62.951   21.687   75.755   26.261 -12.80331 34.05830 
1 1 1  -16   28   31 o   88.986   17.835  111.616   38.252   92.742   46.641  150.398   66.857   78.705   22.564   97.458   26.688 -18.75281 34.94818 
1 1 1  -16   28   32 o   49.937   18.689   29.434   31.424   28.054   36.763   33.178   60.549   51.074   19.938   59.519   24.728 -8.445206 31.76437 
1 1 1  -16   28   33 o   71.221   19.117   73.647   34.712   57.711   41.486  110.848   63.384   63.580   21.738   83.159   26.823 -19.57931 34.52509 
1 1 1  -16   29    6 o   61.849   24.647   55.300   57.227   45.670   61.351  119.795  158.769   59.844   24.879   77.386   35.624 -17.54211 43.45192 
1 1 1  -16   29    7 o   88.940   26.528  136.776   63.376  115.000   69.022  253.778  159.991   80.254   28.008   95.736   40.020 -15.48267 48.84763 
1 1 1  -16   29    8 o   58.496   23.929   41.223   55.544   49.317   59.529 -13.2284  154.407   61.362   24.898   67.096   32.156 -5.734520 40.66788 
1 1 1  -16   29    9 o   88.902   26.117  132.302   61.805  133.579   67.219  125.316  157.189   88.015   27.533   81.522   36.707 6.493774 45.88543 
1 1 1  -16   29   10 o   53.408   22.597   23.173   51.991   27.846   55.305 -12.3454  152.476   55.514   23.387   68.295   32.516 -12.78063 40.05308 
1 1 1  -16   29   11 o   71.810   25.392   80.743   56.855   94.959   61.074 -11.6281  155.681   76.515   26.366   69.349   32.972 7.165985 42.21787 
1 1 1  -16   29   12 o   48.337   21.356   2.4363   50.642  -9.4306   53.388  108.948  159.946   46.936   21.239   82.274   37.039 -35.33782 42.69606 
1 1 1  -16   29   13 o   48.843   20.123   19.767   39.632   20.436   56.449   19.118   55.657   54.617   23.341   54.062   23.143 0.5546570 32.86953 
1 1 1  -16   29   14 o   73.649   19.066   79.117   35.338   59.472   43.133  119.225   61.630   64.182   22.156   85.964   26.277 -21.78271 34.37091 
1 1 1  -16   29   15 o   38.743   17.039  -2.1969   31.885   4.8095   39.675 -14.9731   53.577   44.648   19.329   46.285   21.074 -1.636532 28.59641 
1 1 1  -16   29   16 o   49.534   19.095   27.214   33.395   56.760   41.390 -27.8967   56.528   63.186   21.709   45.312   20.999 17.87329 30.20375 
1 1 1  -16   29   17 o   35.740   16.222 -12.6836   31.426   17.197   39.033 -67.7369   52.982   48.128   19.913   38.010   18.372 10.11768 27.09348 
1 1 1  -16   29   18 o   65.763   19.956   62.465   35.638   44.647   44.205   95.548   60.234   59.063   22.154   78.361   26.196 -19.29837 34.30792 
1 1 1  -16   29   19 o   47.994   19.156   21.646   34.617   25.482   43.111   14.683   58.081   52.331   21.204   54.444   23.479 -2.112423 31.63618 
1 1 1  -16   29   20 o   88.555   18.250  111.223   39.016  113.306   48.127  107.228   66.640   87.178   22.082   82.240   27.553 4.937927 35.31026 
1 1 1  -16   29   21 o   46.584   18.753   18.858   33.485   8.8623   41.021   38.817   57.966   46.638   19.914   60.525   24.565 -13.88705 31.62275 
1 1 1  -16   29   22 o   33.857   15.700 -21.7003   31.670  -4.8784   38.582 -56.4481   55.450   41.839   18.555   40.768   19.465 1.071255 26.89212 
1 1 1  -16   29   23 o  123.763   27.629  242.274   83.229   0.0000   0.0000  242.274   83.229  ?   ?   123.763   27.629 0.000000 27.62914 
1 1 1  -16   29   24 o   50.623   21.846   9.5622   50.357   49.219   92.219  -7.2868   60.110   69.875   29.847   50.687   22.773 19.18821 37.54276 
1 1 1  -16   29   25 o   46.846   20.949  -6.7221   50.241 -116.6179   93.157   38.353   59.662   48.630   23.701   60.801   24.828 -12.17103 34.32442 
1 1 1  -16   29   26 o   43.457   20.032 -24.2278   50.433 -147.6391  108.451   9.8240   56.968   50.697   24.889   53.006   23.055 -2.309410 33.92627 
1 1 1  -16   29   27 o   55.012   22.884   25.022   51.947  107.870  107.104  -0.4622   59.402   82.485   33.421   51.628   22.954 30.85701 40.54488 
1 1 1  -16   29   28 o   49.563   19.428   25.677   35.019   15.244   43.149   45.808   59.940   49.179   20.684   62.610   25.130 -13.43117 32.54800 
1 1 1  -16   29   29 o   28.591   13.676 -33.5788   27.632 -51.4711   31.712   22.853   56.319   28.392   13.836   55.592   23.520 -27.19951 27.28733 
1 1 1  -16   29   30 o   38.258   16.716  -0.6771   30.246  -2.5515   35.420   4.3700   58.122   40.574   17.897   51.860   22.898 -11.28634 29.06217 
1 1 1  -16   29   31 o   37.279   16.406  -2.5068   29.606  -4.8893   34.482   4.1750   57.748   39.383   17.500   51.545   22.788 -12.16232 28.73250 
1 1 1  -16   29   32 o   51.080   19.006   32.320   32.406  -3.6443   38.128  125.899   61.503   41.518   18.428   88.067   26.102 -46.54869 31.95182 
1 1 1  -16   30    8 o   49.131   22.015   6.2659   55.783  -4.1824   59.386   84.612  162.618   48.276   22.061   72.271   34.166 -23.99451 40.66918 
1 1 1  -16   30    9 o   57.098   23.912   38.479   57.268   37.477   61.098   45.733  164.342   57.567   24.434   70.239   33.529 -12.67227 41.48730 
1 1 1  -16   30   10 o   59.362   24.193   46.193   56.509   4.3691   59.603  417.970  177.703   50.512   22.686  116.349   44.243 -65.83713 49.72065 
1 1 1  -16   30   11 o   51.983   22.455   18.849   53.306   16.454   56.321   39.433  165.139   52.301   22.832   71.582   34.012 -19.28120 40.96472 
1 1 1  -16   30   12 o   39.010   18.492 -38.8840   48.265 -36.5273   50.340 -65.7222  169.876   40.315   19.044   65.191   31.824 -24.87590 37.08686 
1 1 1  -16   30   13 o   53.513   22.913   21.879   54.581   17.363   57.476   63.347  174.177   53.290   23.168   75.714   35.660 -22.42387 42.52489 
1 1 1  -16   30   14 o   59.274   24.097   42.223   55.889   59.040   58.469 -135.8164  190.243   64.464   25.150   64.801   32.033 -0.3373260 40.72615 
1 1 1  -16   30   15 o   64.068   24.428   58.548   54.265   44.015   56.825  209.075  182.880   60.150   24.354   92.010   40.621 -31.86002 47.36245 
1 1 1  -16   30   16 o   66.059   21.933   65.435   42.243   75.337   57.882   54.150   61.791   69.940   25.508   63.946   25.569 5.993530 36.11660 
1 1 1  -16   30   17 o   42.889   18.114   9.8137   33.312   20.455   41.012 -10.8179   57.107   49.363   20.417   48.019   21.823 1.344139 29.88455 
1 1 1  -16   30   18 o   34.628   15.997 -19.0659   32.420   12.848   39.624 -83.6925   56.386   46.621   19.726   37.411   18.279 9.209846 26.89303 
1 1 1  -16   30   19 o   87.398   18.565  110.456   39.266  125.161   48.592   82.783   66.659   91.032   21.685   73.039   27.243 17.99339 34.81969 
1 1 1  -16   30   20 o  120.556   15.290  199.218   44.997  220.469   56.405  162.023   74.623  124.268   18.761   97.766   28.691 26.50184 34.27993 
1 1 1  -16   30   21 o   29.592   14.269 -42.3370   31.487 -55.7993   37.724 -11.4213   57.167   31.402   15.254   48.172   21.870 -16.77019 26.66467 
1 1 1  -16   30   22 o   57.427   19.979   45.508   35.108   26.029   42.701   86.149   61.678   51.905   21.078   74.247   26.426 -22.34219 33.80275 
1 1 1  -16   30   23 o   71.943   19.991   76.477   37.203   68.009   45.436   93.705   64.806   67.611   22.751   76.674   27.110 -9.062897 35.39129 
1 1 1  -16   30   24 o   58.912   20.131   48.718   35.581   44.757   42.974   57.353   63.447   58.380   21.854   65.719   26.027 -7.339596 33.98553 
1 1 1  -16   30   25 o   57.786   20.832   45.292   38.445   50.883   47.986   35.273   64.240   61.369   23.070   60.207   25.276 1.162407 34.22142 
1 1 1  -16   30   26 o   31.013   14.697 -30.5401   30.446  -5.2364   35.682 -98.2874   58.385   39.867   17.754   36.861   18.130 3.005486 25.37493 
1 1 1  -16   30   27 o   64.993   20.162   62.063   36.130   82.264   43.607   17.832   64.527   73.552   22.020   56.257   24.502 17.29498 32.94299 
1 1 1  -16   30   28 o   75.504   20.128   84.932   38.643   95.919   48.425   65.670   64.119   78.568   23.128   67.748   26.363 10.82068 35.06989 
1 1 1  -16   30   29 o   48.563   21.622   0.0752   52.896  -4.5590  112.985   1.3761   59.861   63.594   29.547   51.288   22.906 12.30584 37.38563 
1 1 1  -16   30   30 o   75.441   26.355   92.241   61.123  207.174  130.317   59.825   69.208   97.117   37.641   66.376   26.876 30.74044 46.25122 
1 1 1  -16   31   10 o   61.812   30.718 -70.7776  183.872   0.0000   0.0000 -70.7776  183.872  ?   ?    61.812   30.718 0.000000 30.71791 
1 1 1  -16   31   11 o   49.289   21.872   11.501   53.677   18.870   56.520 -56.2722  171.405   51.631   22.697   62.242   30.700 -10.61151 38.17883 
1 1 1  -16   31   12 o   46.495   21.046  -1.5537   52.468 -13.8690   54.870  129.908  179.272   45.072   20.818   76.214   35.981 -31.14218 41.56969 
1 1 1  -16   31   13 o   58.172   24.251   42.344   58.523   32.110   61.581  137.766  188.046   56.307   24.229   77.882   36.794 -21.57557 44.05537 
1 1 1  -16   31   14 o   45.454   20.769  -9.2685   52.617 -23.5384   54.501  186.555  201.895   43.681   20.370   82.616   38.747 -38.93541 43.77489 
1 1 1  -16   31   15 o   42.274   19.717 -24.6700   51.097 -43.2783   52.722  263.342  207.418   40.083   19.094   90.082   41.190 -49.99945 45.40062 
1 1 1  -16   31   16 o   44.697   20.386 -10.2945   50.405   3.0252   52.102 -204.8664  199.135   48.011   21.411   61.086   30.603 -13.07444 37.34929 
1 1 1  -16   31   17 o   48.619   21.474   6.7532   51.161   4.8394   52.914   34.210  200.424   48.800   21.682   73.831   35.697 -25.03041 41.76600 
1 1 1  -16   31   18 o   40.023   18.815 -31.9497   48.088 -35.2597   49.540   22.042  200.081   40.149   18.943   73.502   35.569 -33.35274 40.29874 
1 1 1  -16   31   19 o   82.975   21.624  106.940   45.260  132.758   61.739   76.947   66.544   88.683   26.117   69.718   26.933 18.96511 37.51621 
1 1 1  -16   31   20 o   69.291   20.545   73.134   38.096   96.082   46.464   26.067   66.543   78.045   22.564   57.464   24.955 20.58050 33.64380 
1 1 1  -16   31   21 o   54.237   20.117   39.182   36.250   31.400   44.200   55.173   63.356   53.289   21.513   63.766   25.751 -10.47644 33.55458 
1 1 1  -16   31   22 o   42.053   18.115   6.1947   34.495 -13.9191   42.035   47.673   60.364   40.679   18.578   61.400   25.012 -20.72023 31.15647 
1 1 1  -16   31   23 o   29.223   14.157 -45.1758   31.909 -58.2089   38.010 -14.0678   58.723   31.012   15.120   47.595   21.819 -16.58287 26.54607 
1 1 1  -16   31   24 o   40.470   17.898  -1.5173   35.656 -24.2658   44.403   39.785   59.831   39.797   18.501   59.292   24.603 -19.49476 30.78274 
1 1 1  -16   31   25 o   43.232   19.001   1.9984   39.592   1.9984   39.592   0.0000   0.0000   43.232   19.001  ?   ?  0.000000 19.00086 
1 1 1  -16   31   26 o   85.929   19.278  109.710   40.349   98.220   49.161  133.427   70.630   78.446   23.357   87.057   28.334 -8.610397 36.71994 
1 1 1  -16   31   27 o   61.613   20.247   56.364   36.034   45.228   42.955   82.814   66.201   57.623   21.791   71.501   27.048 -13.87757 34.73390 
1 1 1  -16   32   13 o   60.764   30.326 -74.2168  187.290   0.0000   0.0000 -74.2168  187.290  ?   ?    60.764   30.326 0.000000 30.32578 
1 1 1  -16   32   14 o   43.251   20.325 -23.8065   56.019 -19.2949   58.034 -85.4366  214.490   44.629   20.881   62.982   31.582 -18.35244 37.86082 
1 1 1  -16   32   15 o   50.023   22.197   14.072   55.286   18.857   57.072 -58.8528  222.797   51.485   22.713   65.233   32.635 -13.74873 39.76080 
1 1 1  -16   32   16 o   59.101   24.171   49.912   56.655   36.751   58.615  236.871  220.928   56.065   23.868   81.391   38.859 -25.32673 45.60361 
1 1 1  -16   32   17 o   75.463   26.567  103.485   62.173   99.865   64.710  146.954  224.246   73.947   26.970   76.548   37.187 -2.600952 45.93739 
1 1 1  -16   32   18 o   43.456   20.128 -16.7638   51.822 -21.2009   53.349   57.450  218.183   43.285   20.175   72.195   35.415 -28.90995 40.75832 
1 1 1  -16   32   19 o   50.936   22.288   16.796   53.950   7.0286   55.545  179.589  226.759   49.320   22.043   79.823   38.439 -30.50308 44.31060 
1 1 1  -16   32   20 o   69.105   25.438   80.508   57.756   87.278   59.503 -29.7162  240.087   71.206   25.879   69.963   34.823 1.242073 43.38594 
1 1 1  -16   32   21 o   34.762   16.807 -52.9277   44.419 -39.8574   45.307 -376.5703  225.455   37.073   17.671   57.314   29.149 -20.24091 34.08759 
1 1 1  -16   32   22 o   47.129   20.959   4.8388   49.553  -5.7103   50.631  244.706  241.432   45.328   20.580   84.774   40.515 -39.44506 45.44215 
1 1 1  -16   32   23 o   49.133   20.470   22.780   41.656   62.071   54.244 -33.6970   65.034   63.452   24.369   45.900   21.671 17.55132 32.61049 
1 1 1  -16   32   24 o   48.760   20.739   18.722   44.176   18.722   44.176   0.0000   0.0000   48.760   20.739  ?   ?  0.000000 20.73868 
1 1 1  -15  -37    1 o   36.076   15.906   8.2766   27.950   0.0000   0.0000   8.2766   27.950  ?   ?    36.076   15.906 0.000000 15.90627 
1 1 1  -15  -36    1 o   79.421   22.025  117.035   45.209   0.0000   0.0000  117.035   45.209  ?   ?    79.421   22.025 0.000000 22.02541 
1 1 1  -15  -36    2 o   41.849   17.701   20.336   31.887   0.0000   0.0000   20.336   31.887  ?   ?    41.849   17.701 0.000000 17.70098 
1 1 1  -15  -36    3 o   34.082   15.507  -1.1042   28.942   0.0000   0.0000  -1.1042   28.942  ?   ?    34.082   15.507 0.000000 15.50724 
1 1 1  -15  -35    1 o   56.994   20.181   53.543   35.924 -19.5025  145.190   58.307   37.077   57.104   28.182   58.943   20.530 -1.839283 34.86713 
1 1 1  -15  -35    2 o  102.942   21.635  182.458   53.850 -77.7780  153.694  218.875   57.495   53.457   26.796  114.001   20.969 -60.54412 34.02531 
1 1 1  -15  -35    3 o   48.553   18.968   36.022   33.294   0.0000   0.0000   36.022   33.294  ?   ?    48.553   18.968 0.000000 18.96806 
1 1 1  -15  -35    4 o   53.801   19.987   51.029   35.809   0.0000   0.0000   51.029   35.809  ?   ?    53.801   19.987 0.000000 19.98682 
1 1 1  -15  -35    5 o   31.120   14.473 -10.2528   27.213   0.0000   0.0000 -10.2528   27.213  ?   ?    31.120   14.473 0.000000 14.47275 
1 1 1  -15  -34    1 o  115.225   19.997  207.607   55.453   44.266  143.796  236.141   60.101   64.956   31.104  122.580   20.348 -57.62367 37.16815 
1 1 1  -15  -34    2 o  108.108   21.317  190.747   55.504 -94.2664  146.826  238.267   59.953   54.908   27.313  122.361   20.334 -67.45320 34.05168 
1 1 1  -15  -34    3 o   91.287   20.715  137.751   46.138  152.978  149.199  136.141   48.517   71.140   33.346   89.274   21.923 -18.13485 39.90725 
1 1 1  -15  -34    4 o  105.324   21.846  190.086   55.574   0.0000   0.0000  190.086   55.574  ?   ?   105.324   21.846 0.000000 21.84600 
1 1 1  -15  -34    5 o  124.429   22.251  271.772   66.601   0.0000   0.0000  271.772   66.601  ?   ?   124.429   22.251 0.000000 22.25117 
1 1 1  -15  -34    6 f   98.695   22.676  180.141   54.714   0.0000   0.0000  180.141   54.714  ?   ?    98.695   22.676 0.000000 22.67649 
1 1 1  -15  -33    1 o   84.519   36.147  179.424  135.556  179.424  135.556   0.0000   0.0000   84.519   36.147  ?   ?  0.000000 36.14706 
1 1 1  -15  -33    2 f   87.978   20.664  122.243   44.625  100.311  135.803  124.898   47.248   72.261   33.147   88.013   21.647 -15.75161 39.58967 
1 1 1  -15  -33    3 o   48.553   18.810   30.636   32.530  121.013  137.060   25.241   33.487   73.036   33.428   46.733   18.774 26.30317 38.33925 
1 1 1  -15  -33    4 o   81.695   21.176  110.133   43.557  114.886  143.622  109.651   45.710   70.510   32.944   80.562   22.069 -10.05140 39.65294 
1 1 1  -15  -33    5 o   56.687   20.443   51.702   37.027   0.0000   0.0000   51.702   37.027  ?   ?    56.687   20.443 0.000000 20.44293 
1 1 1  -15  -33    6 o   80.302   22.086  113.549   45.672   0.0000   0.0000  113.549   45.672  ?   ?    80.302   22.086 0.000000 22.08620 
1 1 1  -15  -33    7 o   65.370   21.249   76.671   39.730   0.0000   0.0000   76.671   39.730  ?   ?    65.370   21.249 0.000000 21.24947 
1 1 1  -15  -32    1 o   80.198   20.177   97.086   40.375  128.096  120.229   93.144   42.864   81.900   34.491   77.747   21.402 4.153503 40.59161 
1 1 1  -15  -32    2 o   59.263   20.477   51.720   36.849   28.815  118.885   54.154   38.758   66.262   30.618   60.391   20.993 5.871284 37.12387 
1 1 1  -15  -32    3 o   42.312   17.865   11.624   32.388   25.560  122.586   10.578   33.581   65.133   30.433   42.490   18.077 22.64222 35.39672 
1 1 1  -15  -32    4 o   35.565   15.960  -5.1860   29.436 -18.2250  128.596  -4.4650   30.239   60.574   29.113   36.212   16.219 24.36142 33.32590 
1 1 1  -15  -32    5 o  118.898   20.104  218.986   57.564   75.613  141.940  247.208   62.975   68.932   32.380  125.599   20.807 -56.66682 38.48860 
1 1 1  -15  -32    6 o   49.975   19.281   34.092   34.073   0.0000   0.0000   34.092   34.073  ?   ?    49.975   19.281 0.000000 19.28145 
1 1 1  -15  -32    7 o   74.784   21.790   95.727   43.179   0.0000   0.0000   95.727   43.179  ?   ?    74.784   21.790 0.000000 21.78960 
1 1 1  -15  -32    8 o   52.107   19.795   41.746   35.550   0.0000   0.0000   41.746   35.550  ?   ?    52.107   19.795 0.000000 19.79488 
1 1 1  -15  -32    9 o   63.893   21.605   73.786   40.975   0.0000   0.0000   73.786   40.975  ?   ?    63.893   21.605 0.000000 21.60474 
1 1 1  -15  -31    1 o  113.778   19.097  184.374   52.336   95.085  125.469  203.183   57.585   80.795   34.671  118.761   20.137 -37.96569 40.09445 
1 1 1  -15  -31    2 o   82.376   20.520  101.047   42.055  130.985  117.891   96.682   45.017   85.048   34.834   79.737   21.925 5.311096 41.16013 
1 1 1  -15  -31    3 o   39.544   17.127   2.9158   31.180   90.829  116.145  -3.9121   32.368   76.436   33.081   38.213   16.969 38.22223 37.17974 
1 1 1  -15  -31    4 o   61.651   29.074 -14.0370  116.471 -14.0370  116.471   0.0000   0.0000   61.651   29.074  ?   ?  0.000000 29.07430 
1 1 1  -15  -31    5 o   39.669   17.108   5.3517   30.839   82.100  120.610  -0.0170   31.900   72.262   32.376   38.607   17.009 33.65459 36.57223 
1 1 1  -15  -31    6 o   51.057   19.408   34.586   34.188   57.519  127.117   32.798   35.496   68.140   31.547   50.632   19.639 17.50818 37.16082 
1 1 1  -15  -31    7 o   48.490   18.827   29.884   32.645  135.917  130.152   22.766   33.723   76.185   33.919   46.107   18.728 30.07818 38.74554 
1 1 1  -15  -31    8 o   43.342   18.156   16.375   33.030   0.0000   0.0000   16.375   33.030  ?   ?    43.342   18.156 0.000000 18.15644 
1 1 1  -15  -31    9 o   69.452   21.876   82.789   42.355   0.0000   0.0000   82.789   42.355  ?   ?    69.452   21.876 0.000000 21.87646 
1 1 1  -15  -31   10 o   76.074   22.381  102.891   45.359   0.0000   0.0000  102.891   45.359  ?   ?    76.074   22.381 0.000000 22.38097 
1 1 1  -15  -30    1 o  114.507   21.059  186.710   57.997   0.0000   0.0000  186.710   57.997  ?   ?   114.507   21.059 0.000000 21.05878 
1 1 1  -15  -30    2 o   65.077   21.110   59.935   39.219 -27.5263  109.956   72.684   41.980   63.024   29.236   70.763   21.697 -7.738865 36.40714 
1 1 1  -15  -30    3 o   64.642   21.143   59.855   39.311 -91.7626  109.766   82.163   42.104   55.595   26.765   74.527   21.460 -18.93200 34.30548 
1 1 1  -15  -30    4 o  173.988   18.452  426.337   78.948  225.560  145.533  510.060   93.977  101.515   39.657  188.233   20.315 -86.71797 44.55796 
1 1 1  -15  -30    5 o  105.425   37.937  242.300  127.438  242.300  127.438   0.0000   0.0000  105.425   37.937  ?   ?  0.000000 37.93666 
1 1 1  -15  -30    6 o   79.957   21.164   98.478   42.919   96.321  118.716   98.802   46.033   76.214   33.213   79.304   22.308 -3.090073 40.00972 
1 1 1  -15  -30    7 o   41.166   17.414   9.7993   30.870  125.192  120.466   1.6891   31.937   78.948   33.928   39.166   17.143 39.78169 38.01325 
1 1 1  -15  -30    8 o   43.591   17.902   17.149   31.239 -56.8446  124.509   22.120   32.271   57.291   27.804   45.778   18.416 11.51331 33.34972 
1 1 1  -15  -30    9 o   50.747   19.551   34.234   34.992   0.0000   0.0000   34.234   34.992  ?   ?    50.747   19.551 0.000000 19.55092 
1 1 1  -15  -30   10 f   64.778   21.358   69.029   40.083   0.0000   0.0000   69.029   40.083  ?   ?    64.778   21.358 0.000000 21.35759 
1 1 1  -15  -30   11 o   66.956   21.976   77.035   42.454   0.0000   0.0000   77.035   42.454  ?   ?    66.956   21.976 0.000000 21.97581 
1 1 1  -15  -29    1 o   44.796   18.528   11.012   33.776  115.349  103.000  -1.5599   35.753   89.320   33.751   41.966   18.259 47.35358 38.37302 
1 1 1  -15  -29    2 o  113.131   20.897  179.788   56.861   0.0000   0.0000  179.788   56.861  ?   ?   113.131   20.897 0.000000 20.89689 
1 1 1  -15  -29    3 o   73.289   21.841   77.135   42.974 -120.5969  111.683  111.498   46.558   55.033   26.618   87.971   21.399 -32.93792 34.15292 
1 1 1  -15  -29    4 o   80.667   21.220   94.704   43.321   90.676  109.601   95.449   47.161   81.295   33.476   80.442   22.563 0.8533096 40.36943 
1 1 1  -15  -29    5 o   39.060   17.179  -2.8433   32.410   42.075  107.797  -7.3071   33.982   71.389   31.365   38.746   17.285 32.64308 35.81231 
1 1 1  -15  -29    6 o   57.647   27.290 -50.4190  104.421 -50.4190  104.421   0.0000   0.0000   57.647   27.290  ?   ?  0.000000 27.29019 
1 1 1  -15  -29    7 o   71.766   21.358   78.033   41.115   44.248  116.036   82.884   43.968   70.222   31.586   73.547   22.132 -3.325317 38.56828 
1 1 1  -15  -29    8 o   58.974   20.608   50.203   37.373   39.203  120.111   51.382   39.325   68.615   31.363   59.624   21.114 8.990967 37.80782 
1 1 1  -15  -29    9 o   59.379   20.887   52.203   38.421 -36.0037  120.183   62.244   40.549   59.406   28.443   63.653   21.492 -4.247135 35.65023 
1 1 1  -15  -29   10 o   43.991   18.402   15.317   33.860   0.0000   0.0000   15.317   33.860  ?   ?    43.991   18.402 0.000000 18.40206 
1 1 1  -15  -29   11 o   53.890   20.363   41.258   37.494   0.0000   0.0000   41.258   37.494  ?   ?    53.890   20.363 0.000000 20.36317 
1 1 1  -15  -29   12 o   62.421   21.383   63.642   40.145   0.0000   0.0000   63.642   40.145  ?   ?    62.421   21.383 0.000000 21.38343 
1 1 1  -15  -28    1 o   36.580   16.538 -14.8421   32.284   2.0645   97.100 -16.9433   34.232   67.369   29.678   37.319   16.935 30.04974 34.17042 
1 1 1  -15  -28    2 o  214.911   18.249  615.359   97.010  356.953  159.588  766.803  122.174  143.968   41.874  237.901   20.773 -93.93330 46.74358 
1 1 1  -15  -28    3 o  233.656   18.803  733.777  108.783  486.728  180.282  875.230  136.417  165.753   43.138  252.214   21.876 -86.46091 48.36825 
1 1 1  -15  -28    4 o   41.856   17.963   2.2955   33.684 -101.0889  105.058   14.141   35.562   55.463   26.566   46.624   19.118 8.839233 32.72972 
1 1 1  -15  -28    5 o   95.986   20.583  130.783   47.857   38.113  112.044  151.463   52.928   73.953   32.246  103.096   21.265 -29.14278 38.62656 
1 1 1  -15  -28    6 o   52.595   19.844   31.676   35.572   75.163  107.385   26.316   37.700   78.370   32.776   51.265   20.139 27.10479 38.46874 
1 1 1  -15  -28    7 o   87.547   34.784  128.065  113.662  128.065  113.662   0.0000   0.0000   87.547   34.784  ?   ?  0.000000 34.78368 
1 1 1  -15  -28    8 o   43.783   18.381   10.758   33.973   27.674  110.841   9.0036   35.691   68.592   30.860   44.027   18.680 24.56458 36.07376 
1 1 1  -15  -28    9 o  128.122   19.415  237.468   60.172   91.336  132.407  275.502   67.550   78.228   34.549  137.272   20.319 -59.04413 40.08159 
1 1 1  -15  -28   10 o  100.232   21.100  152.502   51.142 -11.1600  124.856  185.496   56.060   63.686   30.055  110.910   21.010 -47.22384 36.67064 
1 1 1  -15  -28   11 o   58.705   21.080   50.477   39.329   0.0000   0.0000   50.477   39.329  ?   ?    58.705   21.080 0.000000 21.08018 
1 1 1  -15  -28   12 o   58.764   21.367   51.736   40.570   0.0000   0.0000   51.736   40.570  ?   ?    58.764   21.367 0.000000 21.36681 
1 1 1  -15  -28   13 o   53.424   20.498   39.837   38.359   0.0000   0.0000   39.837   38.359  ?   ?    53.424   20.498 0.000000 20.49825 
1 1 1  -15  -28   14 o   70.823   22.528   85.761   44.831   0.0000   0.0000   85.761   44.831  ?   ?    70.823   22.528 0.000000 22.52795 
1 1 1  -15  -27    1 o   91.778   20.851  115.393   46.701  102.592  104.054  118.622   52.260   90.072   33.950   92.505   22.775 -2.432755 40.88163 
1 1 1  -15  -27    2 o  106.580   19.379  153.582   49.679  262.931  109.864  125.477   55.698  132.318   33.281   94.655   23.635 37.66274 40.81967 
1 1 1  -15  -27    3 o   59.875   21.295   43.380   40.045  -9.9321  102.438   52.997   43.507   67.259   30.007   64.542   22.253 2.717133 37.35795 
1 1 1  -15  -27    4 o   89.037   21.549  110.954   47.395 -10.0588  106.999  140.493   52.864   68.010   30.481  100.323   21.730 -32.31251 37.43398 
1 1 1  -15  -27    5 o  117.488   21.549  192.395   60.891   0.0000   0.0000  192.395   60.891  ?   ?   117.488   21.549 0.000000 21.54859 
1 1 1  -15  -27    6 o   73.120   21.357   75.414   41.437   44.687  106.351   80.913   44.993   75.048   32.055   75.464   22.316 -0.4156113 39.05771 
1 1 1  -15  -27    7 o   75.552   21.376   81.759   42.140 -22.1192  108.151  100.353   45.757   64.583   29.609   83.426   21.743 -18.84364 36.73429 
1 1 1  -15  -27    8 o   40.234   17.577  -1.5639   33.434  -4.8378  109.549  -1.2277   35.109   66.251   30.154   41.255   18.018 24.99598 35.12675 
1 1 1  -15  -27    9 o  114.397   19.784  186.439   54.472  230.054  122.018  175.583   60.875  109.674   37.281  108.517   23.169 1.157860 43.89396 
1 1 1  -15  -27   10 o   74.995   21.910   84.660   43.606  -0.5981  116.979   98.419   46.993   65.953   30.439   80.452   22.507 -14.49926 37.85653 
1 1 1  -15  -27   11 o   67.098   21.618   67.701   41.182   39.683  123.587   71.201   43.678   70.433   32.046   68.487   22.281 1.946907 39.03057 
1 1 1  -15  -27   12 o   60.903   21.499   54.469   40.741   0.0000   0.0000   54.469   40.741  ?   ?    60.903   21.499 0.000000 21.49903 
1 1 1  -15  -27   13 o   65.160   22.013   66.257   42.540   0.0000   0.0000   66.257   42.540  ?   ?    65.160   22.013 0.000000 22.01334 
1 1 1  -15  -27   15 o   40.037   17.620   3.0870   34.149   0.0000   0.0000   3.0870   34.149  ?   ?    40.037   17.620 0.000000 17.62039 
1 1 1  -15  -26    1 o  152.893   32.286  336.423  119.401  336.423  119.401   0.0000   0.0000  152.893   32.286  ?   ?  0.000000 32.28577 
1 1 1  -15  -26    2 o   61.531   21.779   45.106   41.837   3.6505   96.882   54.609   46.385   68.923   30.021   66.356   22.972 2.566391 37.80143 
1 1 1  -15  -26    3 o  103.296   20.446  144.829   50.875   69.067  108.656  166.102   57.576   83.787   33.763  110.316   21.673 -26.52908 40.12064 
1 1 1  -15  -26    4 o  164.020   17.586  354.260   70.907  164.870  122.093  450.648   87.101  105.805   37.232  184.313   19.206 -78.50815 41.89380 
1 1 1  -15  -26    5 o   72.146   22.079   70.949   43.496  100.901  101.595   64.227   48.130   88.357   33.488   69.839   23.416 18.51838 40.86249 
1 1 1  -15  -26    6 o  110.031   21.987  168.473   58.301   0.0000   0.0000  168.473   58.301  ?   ?   110.031   21.987 0.000000 21.98719 
1 1 1  -15  -26    7 o  131.896   18.637  235.437   59.674  130.257  119.920  270.054   68.797   94.593   36.255  140.508   20.187 -45.91557 41.49668 
1 1 1  -15  -26    8 o  146.174   17.399  287.529   62.263  337.963  127.243  271.652   71.394  143.458   35.670  139.750   21.116 3.708298 41.45160 
1 1 1  -15  -26    9 o  108.475   20.043  165.093   52.294   44.557  115.533  196.151   58.646   75.630   32.863  118.084   20.639 -42.45400 38.80705 
1 1 1  -15  -26   10 o  102.179   37.361  189.966  124.290  189.966  124.290   0.0000   0.0000  102.179   37.361  ?   ?  0.000000 37.36087 
1 1 1  -15  -26   11 o   98.982   21.006  142.967   50.315   28.964  120.225  167.174   55.400   71.399   32.130  106.899   21.498 -35.50002 38.65910 
1 1 1  -15  -26   12 o   44.162   18.764   9.1179   36.098   0.0000   0.0000   9.1179   36.098  ?   ?    44.162   18.764 0.000000 18.76417 
1 1 1  -15  -26   13 f   67.384   31.054   19.942  121.102   19.942  121.102   0.0000   0.0000   67.384   31.054  ?   ?  0.000000 31.05415 
1 1 1  -15  -26   14 o   47.532   19.563   20.416   37.410   0.0000   0.0000   20.416   37.410  ?   ?    47.532   19.563 0.000000 19.56328 
1 1 1  -15  -26   15 o   43.754   18.629   11.568   35.713   0.0000   0.0000   11.568   35.713  ?   ?    43.754   18.629 0.000000 18.62907 
1 1 1  -15  -26   16 o   89.987   22.917  133.085   51.636   0.0000   0.0000  133.085   51.636  ?   ?    89.987   22.917 0.000000 22.91661 
1 1 1  -15  -25    1 o  171.560   16.593  381.148   70.201  374.335  120.693  384.632   86.302  163.354   30.714  170.710   20.666 -7.356155 37.01954 
1 1 1  -15  -25    2 f  124.936   33.154  225.736  105.152  225.736  105.152   0.0000   0.0000  124.936   33.154  ?   ?  0.000000 33.15443 
1 1 1  -15  -25    3 o   65.885   22.207   54.626   43.289   43.221   97.708   57.412   48.286   76.876   31.626   68.010   23.444 8.866714 39.36754 
1 1 1  -15  -25    4 o  211.387   16.901  580.537   88.472  473.394  141.946  648.600  113.135  181.621   32.490  221.414   20.702 -39.79306 38.52491 
1 1 1  -15  -25    5 o   80.660   22.547   89.313   47.180   93.225  101.218   88.227   53.327   87.811   33.391   80.329   24.419 7.482056 41.36731 
1 1 1  -15  -25    6 f  107.350   19.736  155.854   50.956  146.305  105.953  158.727   58.119  100.760   34.728  107.279   22.417 -6.518890 41.33438 
1 1 1  -15  -25    7 o  185.140   20.867  461.628   94.793   0.0000   0.0000  461.628   94.793  ?   ?   185.140   20.867 0.000000 20.86723 
1 1 1  -15  -25    8 o   79.974   21.696   89.395   44.430   40.843  105.221   99.931   49.014   75.836   32.120   84.220   22.763 -8.383087 39.36795 
1 1 1  -15  -25    9 o  130.079   18.431  228.842   58.195  201.696  120.741  237.057   66.419  110.965   37.089  130.995   21.015 -20.02962 42.62839 
1 1 1  -15  -25   10 o  136.388   17.903  252.019   59.503  305.066  124.982  236.471   67.663  135.077   36.282  129.816   21.634 5.261230 42.24243 
1 1 1  -15  -25   11 o   75.606   33.398   36.333  123.796   36.333  123.796   0.0000   0.0000   75.606   33.398  ?   ?  0.000000 33.39841 
1 1 1  -15  -25   12 o   77.869   22.461   89.455   46.089  167.925  115.682   74.648   50.250   97.281   35.967   71.646   23.927 25.63493 43.19814 
1 1 1  -15  -25   13 o   52.655   20.371   31.217   38.114 -51.2194  118.803   40.675   40.241   61.496   29.111   56.759   21.167 4.736408 35.99335 
1 1 1  -15  -25   14 o   55.423   20.784   39.255   38.901 -67.1152  118.038   52.216   41.202   58.713   28.132   60.901   21.607 -2.187397 35.47220 
1 1 1  -15  -25   15 o   39.868   17.644  -2.2097   34.704   0.0000   0.0000  -2.2097   34.704  ?   ?    39.868   17.644 0.000000 17.64355 
1 1 1  -15  -25   16 o   82.949   23.166  110.751   49.829   0.0000   0.0000  110.751   49.829  ?   ?    82.949   23.166 0.000000 23.16610 
1 1 1  -15  -25   17 o   63.341   22.263   62.591   43.645   0.0000   0.0000   62.591   43.645  ?   ?    63.341   22.263 0.000000 22.26272 
1 1 1  -15  -24    1 o   99.997   20.217  133.850   48.748  107.934   92.474  143.823   57.366   91.959   32.398  102.972   22.901 -11.01231 39.67486 
1 1 1  -15  -24    2 o  107.964   20.206  155.667   52.474   1.8084   97.707  218.032   62.207   69.744   30.264  128.301   20.074 -58.55643 36.31611 
1 1 1  -15  -24    3 o  136.897   32.236  267.312  108.381  267.312  108.381   0.0000   0.0000  136.897   32.236  ?   ?  0.000000 32.23643 
1 1 1  -15  -24    4 o  162.627   16.814  343.389   67.297  283.832  111.605  377.417   84.359  140.757   32.420  169.116   20.386 -28.35844 38.29696 
1 1 1  -15  -24    5 o  105.218   20.183  148.780   51.102   14.744   94.970  203.403   60.627   70.689   30.245  123.383   20.389 -52.69346 36.47544 
1 1 1  -15  -24    6 o  153.167   17.434  307.034   65.493  199.387  115.057  358.632   79.658  116.191   35.968  164.653   19.769 -48.46135 41.04285 
1 1 1  -15  -24    7 o  101.174   19.810  138.321   48.258  228.745  104.391  113.746   54.422  124.509   33.031   90.528   23.770 33.98161 40.69466 
1 1 1  -15  -24    8 f   88.134   23.183  108.119   51.708   0.0000   0.0000  108.119   51.708  ?   ?    88.134   23.183 0.000000 23.18331 
1 1 1  -15  -24    9 o  211.456   16.979  587.016   88.898  596.089  151.135  582.217  109.926  202.443   30.873  207.580   21.519 -5.137375 37.63244 
1 1 1  -15  -24   10 o   55.672   21.115   32.881   40.408 -55.8083  109.412   46.889   43.482   62.696   29.112   61.859   22.170 0.8371925 36.59249 
1 1 1  -15  -24   11 o   99.626   21.526  139.694   51.991  118.675  116.861  144.882   58.053   91.510   35.596  100.506   23.543 -8.996033 42.67706 
1 1 1  -15  -24   12 o   76.145   32.567   49.625  110.037   49.625  110.037   0.0000   0.0000   76.145   32.567  ?   ?  0.000000 32.56654 
1 1 1  -15  -24   13 o  124.673   19.136  216.046   57.674  216.877  125.346  215.824   64.958  109.394   37.769  122.684   22.012 -13.29063 43.71469 
1 1 1  -15  -24   14 o   58.444   21.353   43.992   40.588   17.391  116.985   47.632   43.276   69.865   31.543   60.359   22.049 9.505718 38.48557 
1 1 1  -15  -24   15 o   74.866   21.981   84.152   43.793  118.016  123.843   79.313   46.817   84.140   35.195   72.531   23.017 11.60937 42.05264 
1 1 1  -15  -24   16 o  111.772   22.595  190.059   60.897   0.0000   0.0000  190.059   60.897  ?   ?   111.772   22.595 0.000000 22.59480 
1 1 1  -15  -24   17 o   50.208   20.340   25.858   39.661   0.0000   0.0000   25.858   39.661  ?   ?    50.208   20.340 0.000000 20.33976 
1 1 1  -15  -24   18 o  103.029   23.257  169.584   58.417   0.0000   0.0000  169.584   58.417  ?   ?   103.029   23.257 0.000000 23.25686 
1 1 1  -15  -23    1 o  128.167   17.572  214.113   54.761  207.319   96.155  217.375   66.621  121.549   31.442  127.841   21.641 -6.291328 38.16935 
1 1 1  -15  -23    2 o  245.718   16.188  774.493   98.772  861.462  152.889  712.194  129.400  255.096   24.294  232.692   22.552 22.40379 33.14814 
1 1 1  -15  -23    3 o  150.338   17.105  293.191   63.072  292.808  108.000  293.390   77.698  144.656   30.840  148.812   21.535 -4.155823 37.61407 
1 1 1  -15  -23    4 o  211.848   26.348  604.714  136.375  604.714  136.375   0.0000   0.0000  211.848   26.348  ?   ?  0.000000 26.34778 
1 1 1  -15  -23    5 o  153.682   17.475  307.398   65.871  182.497  108.140  381.078   83.057  113.085   34.848  170.349   19.900 -57.26387 40.12949 
1 1 1  -15  -23    6 o   57.558   21.191   35.742   40.082 -15.8382   88.574   49.025   44.947   63.446   28.127   64.159   22.589 -0.7129860 36.07489 
1 1 1  -15  -23    7 o  210.461   16.376  572.687   85.385  596.974  139.256  558.055  108.088  208.790   27.368  205.294   21.398 3.495575 34.74026 
1 1 1  -15  -23    8 o   60.924   21.723   43.531   41.692   21.017   97.701   48.544   46.101   72.381   30.815   64.035   22.841 8.346123 38.35703 
1 1 1  -15  -23    9 o   93.391   23.241  120.850   53.986   0.0000   0.0000  120.850   53.986  ?   ?    93.391   23.241 0.000000 23.24137 
1 1 1  -15  -23   10 o  148.667   20.995  298.113   75.775   0.0000   0.0000  298.113   75.775  ?   ?   148.667   20.995 0.000000 20.99509 
1 1 1  -15  -23   11 o  130.083   36.124  265.741  121.523  265.741  121.523   0.0000   0.0000  130.083   36.124  ?   ?  0.000000 36.12392 
1 1 1  -15  -23   12 o   52.659   20.912   23.935   41.061  -9.3232  107.740   29.587   44.413   68.055   30.538   55.798   21.877 12.25737 37.56576 
1 1 1  -15  -23   13 o   78.938   33.394   57.589  113.524   57.589  113.524   0.0000   0.0000   78.938   33.394  ?   ?  0.000000 33.39421 
1 1 1  -15  -23   14 o  132.969   19.015  243.451   61.340  211.553  128.107  252.939   69.870  109.380   38.158  133.822   21.647 -24.44214 43.87087 
1 1 1  -15  -23   15 o   78.028   22.585   89.531   46.527 -85.2753  117.725  121.889   50.651   59.276   28.318   91.056   22.424 -31.78038 36.12140 
1 1 1  -15  -23   16 o   96.007   21.275  135.301   49.666  247.303  129.814  116.095   53.756  111.584   38.441   87.153   23.957 24.43166 45.29517 
1 1 1  -15  -23   17 o   99.734   23.279  152.478   56.922   0.0000   0.0000  152.478   56.922  ?   ?    99.734   23.279 0.000000 23.27935 
1 1 1  -15  -23   18 o   88.010   23.610  122.472   52.963   0.0000   0.0000  122.472   52.963  ?   ?    88.010   23.610 0.000000 23.60984 
1 1 1  -15  -23   19 o   93.376   24.048  141.003   56.415   0.0000   0.0000  141.003   56.415  ?   ?    93.376   24.048 0.000000 24.04816 
1 1 1  -15  -22    1 o  306.709   24.586  1237.78  186.726   0.0000   0.0000  1237.78  186.726  ?   ?   306.709   24.586 0.000000 24.58629 
1 1 1  -15  -22    2 o  288.668   17.205  1069.17  123.462  1090.75  183.932  1051.48  166.561  286.766   25.967  282.839   23.804 3.927673 35.22599 
1 1 1  -15  -22    3 o  116.190   18.192  177.045   51.050  131.669   85.842  201.875   63.500   98.569   31.154  123.208   21.416 -24.63907 37.80536 
1 1 1  -15  -22    4 o  290.911   17.553  1088.75  126.921  1044.78  188.301  1125.37  171.816  279.198   27.359  292.272   23.746 -13.07452 36.22746 
1 1 1  -15  -22    5 o  275.930   17.014  979.026  116.660  999.512  173.700  962.192  157.458  273.849   25.701  269.986   23.592 3.862854 34.88693 
1 1 1  -15  -22    6 o  168.986   16.716  369.242   69.616  352.215  111.927  379.985   88.906  159.697   29.140  169.622   21.470 -9.925156 36.19540 
1 1 1  -15  -22    7 o  154.559   17.364  310.650   65.859  171.286  112.098  384.113   81.387  110.167   35.685  171.273   19.369 -61.10616 40.60266 
1 1 1  -15  -22    8 o  184.373   16.331  439.387   74.414  489.506  125.184  411.999   92.538  189.296   27.269  176.347   21.456 12.94926 34.69814 
1 1 1  -15  -22    9 o   80.131   24.018   86.878   51.858   0.0000   0.0000   86.878   51.858  ?   ?    80.131   24.018 0.000000 24.01825 
1 1 1  -15  -22   11 o  109.504   20.585  162.540   54.224  106.754  111.051  180.004   62.134   92.149   34.991  114.572   22.520 -22.42329 41.61150 
1 1 1  -15  -22   12 o  148.615   17.801  292.362   64.748  283.866  122.879  295.628   76.182  135.745   35.753  147.737   21.262 -11.99213 41.59798 
1 1 1  -15  -22   13 o  119.720   19.487  194.447   56.255  219.067  117.911  187.192   64.010  117.542   36.416  115.729   22.960 1.813278 43.04937 
1 1 1  -15  -22   14 o  109.466   37.063  195.117  120.588  195.117  120.588   0.0000   0.0000  109.466   37.063  ?   ?  0.000000 37.06269 
1 1 1  -15  -22   15 o   64.642   22.598   55.078   44.942   30.526  115.704   59.440   48.771   74.400   32.596   66.898   23.532 7.502274 40.20289 
1 1 1  -15  -22   16 o   45.143   19.438   3.8488   39.689   62.748  115.510  -4.0358   42.262   78.062   33.376   44.351   19.557 33.71092 38.68364 
1 1 1  -15  -22   17 o   63.277   21.940   55.317   42.322   71.939  123.743   53.115   45.038   78.840   34.134   62.769   22.556 16.07158 40.91377 
1 1 1  -15  -22   18 o   48.684   20.406   15.710   41.764   0.0000   0.0000   15.710   41.764  ?   ?    48.684   20.406 0.000000 20.40632 
1 1 1  -15  -22   19 o  148.658   22.134  330.074   79.663   0.0000   0.0000  330.074   79.663  ?   ?   148.658   22.134 0.000000 22.13440 
1 1 1  -15  -22   20 o   61.378   22.669   54.076   45.933   0.0000   0.0000   54.076   45.933  ?   ?    61.378   22.669 0.000000 22.66933 
1 1 1  -15  -22   21 f   70.698   23.511   80.483   48.534   0.0000   0.0000   80.483   48.534  ?   ?    70.698   23.511 0.000000 23.51082 
1 1 1  -15  -21    1 o  266.763   16.737  910.436  110.932  840.443  163.241  970.493  151.212  251.843   26.347  272.922   22.384 -21.07925 34.57138 
1 1 1  -15  -21    2 o  231.387   21.661  697.813  123.703   0.0000   0.0000  697.813  123.703  ?   ?   231.387   21.661 0.000000 21.66079 
1 1 1  -15  -21    3 o   93.872   20.135  117.569   45.784   51.218   76.691  154.313   57.070   74.232   28.847  107.346   22.028 -33.11454 36.29573 
1 1 1  -15  -21    4 o   52.334   20.372   22.995   38.300   28.548   69.457   20.569   45.911   66.155   26.875   54.855   22.002 11.29990 34.73311 
1 1 1  -15  -21    5 o  134.770   17.052  235.674   56.105  168.783   92.820  274.183   70.427  110.124   31.907  144.547   20.051 -34.42319 37.68445 
1 1 1  -15  -21    6 o  112.543   18.625  166.792   50.514  210.642   88.483  145.589   61.526  123.163   29.211  103.448   24.241 19.71532 37.95922 
1 1 1  -15  -21    7 o  188.400   26.774  479.153  122.421  479.153  122.421   0.0000   0.0000  188.400   26.774  ?   ?  0.000000 26.77437 
1 1 1  -15  -21    8 o   84.541   21.903   96.684   46.615  123.384  101.004   89.458   52.546   97.095   33.882   81.589   24.113 15.50530 41.58610 
1 1 1  -15  -21    9 o  185.288   16.612  443.588   76.048  460.846  124.861  433.411   95.885  183.434   28.158  181.059   21.636 2.375107 35.51007 
1 1 1  -15  -21   10 o  286.367   18.165  1063.31  129.225  956.546  194.972  1146.96  172.576  263.189   30.213  293.699   23.733 -30.51041 38.42004 
1 1 1  -15  -21   11 o  165.474   21.270  364.350   85.858   0.0000   0.0000  364.350   85.858  ?   ?   165.474   21.270 0.000000 21.27019 
1 1 1  -15  -21   12 o  135.202   18.962  242.416   62.258  109.801  115.900  296.202   73.812   93.987   35.733  149.053   20.363 -55.06573 41.12786 
1 1 1  -15  -21   13 o   62.363   22.344   46.265   44.163   98.656  103.807   34.687   48.800   89.010   33.823   59.641   23.057 29.36873 40.93429 
1 1 1  -15  -21   14 o  233.957   17.416  719.738  101.021  722.814  166.114  717.933  127.257  223.417   30.577  229.915   22.451 -6.498428 37.93403 
1 1 1  -15  -21   15 o  126.391   36.852  258.629  123.469  258.629  123.469   0.0000   0.0000  126.391   36.852  ?   ?  0.000000 36.85199 
1 1 1  -15  -21   16 o  124.871   19.538  213.952   58.926  364.498  128.032  173.492   66.374  150.888   34.703  109.247   24.886 41.64082 42.70336 
1 1 1  -15  -21   17 o  127.471   19.998  226.132   61.562  161.807  129.011  245.097   70.052   98.440   37.634  131.349   22.145 -32.90923 43.66619 
1 1 1  -15  -21   18 o  134.094   19.205  250.904   62.474  318.397  137.429  233.323   70.140  130.106   39.123  126.423   23.067 3.683823 45.41694 
1 1 1  -15  -21   19 o  139.482   22.271  284.901   74.963   0.0000   0.0000  284.901   74.963  ?   ?   139.482   22.271 0.000000 22.27096 
1 1 1  -15  -21   20 o  104.590   23.579  168.055   60.113   0.0000   0.0000  168.055   60.113  ?   ?   104.590   23.579 0.000000 23.57932 
1 1 1  -15  -21   21 o   74.731   23.893   88.219   50.378   0.0000   0.0000   88.219   50.378  ?   ?    74.731   23.893 0.000000 23.89285 
1 1 1  -15  -21   22 o  100.013   23.921  160.385   58.938   0.0000   0.0000  160.385   58.938  ?   ?   100.013   23.921 0.000000 23.92064 
1 1 1  -15  -20    1 o  116.642   17.896  177.396   50.463  111.815   82.067  217.269   63.991   92.811   30.558  128.548   20.632 -35.73702 36.87147 
1 1 1  -15  -20    2 o  125.727   17.175  205.009   52.512  161.248   85.835  231.186   66.385  108.402   30.451  132.610   20.725 -24.20707 36.83462 
1 1 1  -15  -20    3 o  231.654   21.726  698.699  124.212   0.0000   0.0000  698.699  124.212  ?   ?   231.654   21.726 0.000000 21.72582 
1 1 1  -15  -20    4 o  201.483   15.695  519.231   78.344  463.395  117.332  564.152  105.241  186.486   25.894  208.378   20.490 -21.89230 33.02021 
1 1 1  -15  -20    5 o  232.951   15.647  693.358   90.491  764.965  137.426  638.543  120.238  241.622   23.056  221.026   22.080 20.59636 31.92341 
1 1 1  -15  -20    6 o  100.977   19.432  135.217   47.221  104.719   81.153  150.829   58.063   90.144   30.405  105.902   22.641 -15.75869 37.90900 
1 1 1  -15  -20    7 o   49.786   20.025   16.034   38.148 -12.5181   76.243   25.569   44.060   59.889   26.344   55.663   21.800 4.225880 34.19369 
1 1 1  -15  -20    8 o  135.891   31.407  258.692  104.440  258.692  104.440   0.0000   0.0000  135.891   31.407  ?   ?  0.000000 31.40669 
1 1 1  -15  -20    9 o   83.368   22.236   93.806   47.143   60.887   88.226  106.961   55.772   79.274   30.903   88.745   24.406 -9.470818 39.37788 
1 1 1  -15  -20   10 o  114.181   20.153  173.429   55.361   98.314  100.347  206.294   66.376   90.643   33.501  124.035   22.247 -33.39137 40.21490 
1 1 1  -15  -20   11 f  202.563   16.674  529.786   83.594  494.987  135.222  551.310  106.350  189.344   29.565  204.682   21.110 -15.33749 36.32778 
1 1 1  -15  -20   12 o  199.736   17.167  517.286   84.794  453.627  140.895  553.436  106.175  178.591   32.801  204.784   21.063 -26.19296 38.98162 
1 1 1  -15  -20   13 o  129.027   19.336  221.078   60.383  130.447  113.319  257.016   71.358   98.821   35.744  138.473   21.320 -39.65183 41.61925 
1 1 1  -15  -20   14 o   80.569   22.961   89.131   48.438  131.469  105.765   77.894   54.488   97.608   34.620   76.421   24.887 21.18692 42.63714 
1 1 1  -15  -20   15 o  226.282   17.276  671.098   96.884  697.490  160.605  655.999  121.476  220.906   29.881  220.241   22.399 0.6649933 37.34401 
1 1 1  -15  -20   16 o   59.761   22.599   38.897   46.203   80.425  107.207   29.424   51.202   84.024   33.650   58.315   23.290 25.70905 40.92365 
1 1 1  -15  -20   17 o   66.937   22.993   59.234   46.428   99.453  113.764   51.197   50.856   87.522   34.791   64.805   23.868 22.71678 42.19115 
1 1 1  -15  -20   18 o   47.789   20.033   11.164   40.253   18.038  111.012   10.124   43.193   71.371   31.572   48.813   20.621 22.55838 37.70995 
1 1 1  -15  -20   19 o  115.331   20.826  188.868   57.771  228.141  130.382  179.274   64.442  111.200   38.512  110.103   24.106 1.097069 45.43486 
1 1 1  -15  -20   20 o  143.599   22.359  300.164   77.567   0.0000   0.0000  300.164   77.567  ?   ?   143.599   22.359 0.000000 22.35864 
1 1 1  -15  -20   21 o   79.486   24.232   97.912   52.458   0.0000   0.0000   97.912   52.458  ?   ?    79.486   24.232 0.000000 24.23190 
1 1 1  -15  -20   22 o   45.626   19.777   6.4347   41.639   0.0000   0.0000   6.4347   41.639  ?   ?    45.626   19.777 0.000000 19.77727 
1 1 1  -15  -20   23 o   70.751   23.987   79.068   50.510   0.0000   0.0000   79.068   50.510  ?   ?    70.751   23.987 0.000000 23.98668 
1 1 1  -15  -19    1 o  430.358   21.512  2382.33  231.181  2306.69  330.169  2455.09  323.802  415.092   32.102  429.805   30.364 -14.71255 44.18732 
1 1 1  -15  -19    2 o  133.388   16.698  229.615   54.401  172.877   85.884  267.633   70.304  112.326   30.036  143.164   20.228 -30.83755 36.21286 
1 1 1  -15  -19    3 o  391.572   20.159  1972.84  196.448  1932.34  281.021  2011.55  274.725  380.970   29.776  389.803   28.419 -8.833130 41.16093 
1 1 1  -15  -19    4 o  194.136   20.764  489.914   99.103   0.0000   0.0000  489.914   99.103  ?   ?   194.136   20.764 0.000000 20.76443 
1 1 1  -15  -19    5 o  220.815   15.869  622.975   86.922  544.793  130.143  685.936  116.791  202.383   26.378  230.045   20.547 -27.66202 33.43608 
1 1 1  -15  -19    6 o  414.307   20.938  2218.56  215.920  2278.24  310.745  2162.84  300.239  412.251   30.400  401.864   30.138 10.38669 42.80681 
1 1 1  -15  -19    7 o  192.651   21.040  484.239   99.575   0.0000   0.0000  484.239   99.575  ?   ?   192.651   21.040 0.000000 21.04007 
1 1 1  -15  -19    8 o  143.564   28.491  281.943   98.538  281.943   98.538   0.0000   0.0000  143.564   28.491  ?   ?  0.000000 28.49128 
1 1 1  -15  -19    9 o  214.467   25.392  611.807  133.352  611.807  133.352   0.0000   0.0000  214.467   25.392  ?   ?  0.000000 25.39250 
1 1 1  -15  -19   10 o  306.209   17.969  1207.08  136.800  1196.14  203.224  1216.15  184.989  298.876   27.539  303.415   24.628 -4.538605 36.94466 
1 1 1  -15  -19   11 o  266.954   17.616  918.371  116.772  770.053  175.401  1036.44  156.494  237.268   30.295  280.982   22.492 -43.71484 37.73152 
1 1 1  -15  -19   12 o  115.715   19.535  177.470   54.438  255.597  103.252  147.392   64.066  134.566   31.315  103.651   25.034 30.91472 40.09089 
1 1 1  -15  -19   13 o   97.030   21.796  127.679   51.523  187.850  104.029  108.122   59.307  114.492   33.951   88.896   25.432 25.59623 42.41943 
1 1 1  -15  -19   14 o  190.449   17.389  471.582   81.787  446.860  141.267  484.046  100.307  176.615   33.250  191.079   21.388 -14.46478 39.53555 
1 1 1  -15  -19   15 f  157.296   17.999  324.936   69.428  277.701  124.662  346.175   83.593  136.014   36.102  160.878   21.334 -24.86327 41.93406 
1 1 1  -15  -19   16 o  247.845   17.922  805.209  110.175  715.885  174.412  864.518  142.121  222.318   32.366  253.301   22.709 -30.98373 39.53831 
1 1 1  -15  -19   17 o  138.055   18.998  255.645   63.759  244.340  121.811  259.912   74.829  124.469   36.693  137.342   22.605 -12.87380 43.09700 
1 1 1  -15  -19   18 o   61.034   22.775   42.881   46.596  208.272  112.678   8.7635   51.177  114.072   35.641   52.376   22.300 61.69608 42.04263 
1 1 1  -15  -19   19 o  103.411   21.940  151.714   54.903  113.459  119.344  161.984   61.835   89.827   35.657  105.808   23.959 -15.98019 42.95932 
1 1 1  -15  -19   20 o   76.409   23.377   84.878   48.765  100.598  124.925   82.052   52.968   85.966   35.601   75.258   24.539 10.70844 43.23874 
1 1 1  -15  -19   21 o   94.534   24.698  135.877   58.946   0.0000   0.0000  135.877   58.946  ?   ?    94.534   24.698 0.000000 24.69788 
1 1 1  -15  -19   22 o  138.935   22.846  285.943   76.507   0.0000   0.0000  285.943   76.507  ?   ?   138.935   22.846 0.000000 22.84593 
1 1 1  -15  -19   23 o  135.318   22.917  275.897   74.677   0.0000   0.0000  275.897   74.677  ?   ?   135.318   22.917 0.000000 22.91729 
1 1 1  -15  -19   24 o   97.640   24.917  153.619   60.954   0.0000   0.0000  153.619   60.954  ?   ?    97.640   24.917 0.000000 24.91659 
1 1 1  -15  -18    1 o  291.649   13.959  1074.60  101.663  853.583  182.454  1174.11  122.429  253.497   29.366  303.831   16.195 -50.33473 33.53577 
1 1 1  -15  -18    2 o  377.024   16.014  1803.29  150.776  1626.06  266.776  1886.47  182.765  349.487   30.886  384.369   19.041 -34.88235 36.28358 
1 1 1  -15  -18    3 o  143.220   15.941  263.339   56.044  207.886   84.733  306.464   74.724  123.670   28.078  153.526   19.963 -29.85587 34.45166 
1 1 1  -15  -18    4 f  225.433   15.702  647.863   87.843  580.393  128.530  707.000  120.332  210.002   25.001  233.772   20.831 -23.77008 32.54179 
1 1 1  -15  -18    5 o  190.846   20.611  472.869   96.669   0.0000   0.0000  472.869   96.669  ?   ?   190.846   20.611 0.000000 20.61120 
1 1 1  -15  -18    6 o  152.130   20.786  302.681   76.900   0.0000   0.0000  302.681   76.900  ?   ?   152.130   20.786 0.000000 20.78639 
1 1 1  -15  -18    7 o  204.889   24.198  552.824  121.416  552.824  121.416   0.0000   0.0000  204.889   24.198  ?   ?  0.000000 24.19762 
1 1 1  -15  -18    8 o  128.944   17.249  215.668   54.150  152.856   87.871  254.127   68.757  105.660   31.169  139.202   20.384 -33.54229 37.24287 
1 1 1  -15  -18    9 o  396.367   20.678  2030.90  203.960  1952.99  293.094  2104.06  284.008  380.623   31.108  397.183   28.831 -16.56064 42.41392 
1 1 1  -15  -18   10 o  135.204   29.211  251.723   95.744  251.723   95.744   0.0000   0.0000  135.204   29.211  ?   ?  0.000000 29.21093 
1 1 1  -15  -18   11 o   99.388   20.486  131.920   49.153  195.734   90.434  105.163   58.558  118.545   30.403   88.264   25.277 30.28154 39.53795 
1 1 1  -15  -18   12 o  173.360   16.456  387.254   70.387  422.815  115.955  366.505   88.573  176.812   27.128  166.690   21.801 10.12206 34.80241 
1 1 1  -15  -18   13 o  182.760   16.768  431.050   75.675  412.381  124.722  441.927   95.202  172.861   29.980  183.344   21.184 -10.48273 36.70884 
1 1 1  -15  -18   14 o  170.474   17.143  376.669   71.990  342.859  121.766  394.837   89.261  155.652   32.382  172.998   21.099 -17.34529 38.64898 
1 1 1  -15  -18   15 o  134.095   22.417  241.780   72.417   0.0000   0.0000  241.780   72.417  ?   ?   134.095   22.417 0.000000 22.41724 
1 1 1  -15  -18   16 f  176.990   17.508  408.740   76.365  404.292  131.968  410.979   93.634  167.658   32.695  175.438   21.846 -7.780273 39.32188 
1 1 1  -15  -18   17 o  260.588   17.608  886.544  113.911  940.287  181.954  851.904  146.079  259.581   28.541  251.177   23.565 8.403458 37.01208 
1 1 1  -15  -18   18 o  228.135   17.494  683.905   98.904  685.629  162.082  682.882  124.840  217.879   30.636  224.326   22.593 -6.446198 38.06605 
1 1 1  -15  -18   19 o  206.635   32.497  640.171  162.150  640.171  162.150   0.0000   0.0000  206.635   32.497  ?   ?  0.000000 32.49711 
1 1 1  -15  -18   20 o   95.978   22.358  131.162   52.590  322.774  123.819   88.988   58.090  141.277   35.220   78.988   25.695 62.28862 43.59697 
1 1 1  -15  -18   21 o   83.990   23.536  103.234   51.341   77.635  125.774  108.352   56.240   82.707   35.078   85.534   24.852 -2.827263 42.98955 
1 1 1  -15  -18   22 o   82.880   25.061  103.898   56.275   0.0000   0.0000  103.898   56.275  ?   ?    82.880   25.061 0.000000 25.06060 
1 1 1  -15  -18   23 o  166.984   22.604  408.088   91.835   0.0000   0.0000  408.088   91.835  ?   ?   166.984   22.604 0.000000 22.60430 
1 1 1  -15  -18   24 o   73.404   24.718   82.924   53.635   0.0000   0.0000   82.924   53.635  ?   ?    73.404   24.718 0.000000 24.71828 
1 1 1  -15  -18   25 o   54.397   22.175   30.726   47.495   0.0000   0.0000   30.726   47.495  ?   ?    54.397   22.175 0.000000 22.17547 
1 1 1  -15  -17    1 o  391.320   16.565  1941.50  161.872  1561.62  283.762  2124.75  197.085  341.568   33.708  408.250   19.332 -66.68188 38.85773 
1 1 1  -15  -17    2 o  360.005   15.469  1640.70  139.069  1491.34  244.784  1711.88  168.991  336.149   29.458  366.200   18.540 -30.05051 34.80673 
1 1 1  -15  -17    3 o  695.176   26.086  6280.03  452.854  6019.75  787.147  6408.79  553.656  648.233   48.988  695.584   31.874 -47.35052 58.44498 
1 1 1  -15  -17    4 o  175.736   11.398  390.294   49.750  427.169   97.761  377.407   57.793  181.040   22.082  172.370   13.535 8.669434 25.90003 
1 1 1  -15  -17    5 o  490.275   23.665  3108.58  289.732  3116.58  412.961  3100.83  406.598  480.561   34.644  479.841   34.156 0.7210693 48.65013 
1 1 1  -15  -17    6 o  103.479   23.062  143.458   58.072   0.0000   0.0000  143.458   58.072  ?   ?   103.479   23.062 0.000000 23.06235 
1 1 1  -15  -17    7 o   46.919   19.191   10.857   35.718   25.724   63.951   4.1174   43.060   63.759   25.828   48.736   20.589 15.02298 33.03055 
1 1 1  -15  -17    8 o  214.900   15.813  589.708   84.265  536.808  126.338  632.100  113.095  201.345   25.714  220.811   20.754 -19.46593 33.04475 
1 1 1  -15  -17    9 o  380.771   20.006  1867.07  189.564  1813.96  272.876  1916.60  263.535  368.499   29.912  380.401   27.938 -11.90240 40.92978 
1 1 1  -15  -17   10 o  145.405   16.166  272.203   57.705  327.702   93.965  238.600   73.115  156.808   24.823  134.074   22.645 22.73401 33.60014 
1 1 1  -15  -17   11 o  215.478   25.330  615.226  133.695  615.226  133.695   0.0000   0.0000  215.478   25.330  ?   ?  0.000000 25.32965 
1 1 1  -15  -17   12 f   97.863   20.697  127.984   49.000  103.582   84.940  140.154   59.987   90.320   31.096  101.709   24.005 -11.38966 39.28331 
1 1 1  -15  -17   13 o   90.706   22.202  111.020   49.882 -48.9288   88.796  184.771   60.295   58.934   26.949  117.815   21.277 -58.88087 34.33609 
1 1 1  -15  -17   14 o  252.129   17.435  818.510  109.101  697.987  166.061  910.042  144.716  226.047   30.171  263.500   22.200 -37.45345 37.45859 
1 1 1  -15  -17   15 o  251.192   17.135  812.965  106.843  832.772  166.228  799.022  139.469  248.585   27.223  246.041   22.965 2.544128 35.61587 
1 1 1  -15  -17   16 o   59.440   23.342   30.182   50.629   0.0000   0.0000   30.182   50.629  ?   ?    59.440   23.342 0.000000 23.34172 
1 1 1  -15  -17   17 o  143.204   18.735  270.121   65.391  257.951  120.252  275.230   77.918  132.107   35.633  142.968   22.574 -10.86136 42.18154 
1 1 1  -15  -17   18 o   85.983   23.825  102.225   52.922   10.989  109.482  130.044   60.454   73.665   32.000   96.498   24.916 -22.83292 40.55622 
1 1 1  -15  -17   19 o  160.674   18.114  341.588   71.409  451.724  133.765  297.691   84.449  175.992   31.598  146.933   23.832 29.05879 39.57789 
1 1 1  -15  -17   20 o   78.891   33.201   49.842  111.279   49.842  111.279   0.0000   0.0000   78.891   33.201  ?   ?  0.000000 33.20116 
1 1 1  -15  -17   21 o   46.194   20.047  -0.0459   42.884 -154.4294  112.913   25.977   46.358   53.718   26.162   55.134   22.111 -1.415913 34.25407 
1 1 1  -15  -17   22 o  101.351   22.791  148.186   56.281   95.270  126.281  161.303   62.871   86.180   35.750  104.853   24.460 -18.67355 43.31661 
1 1 1  -15  -17   23 o   64.668   23.964   54.293   51.416   0.0000   0.0000   54.293   51.416  ?   ?    64.668   23.964 0.000000 23.96433 
1 1 1  -15  -17   24 o  150.825   23.047  334.068   84.048   0.0000   0.0000  334.068   84.048  ?   ?   150.825   23.047 0.000000 23.04685 
1 1 1  -15  -17   25 o   58.360   23.090   39.576   49.889   0.0000   0.0000   39.576   49.889  ?   ?    58.360   23.090 0.000000 23.08966 
1 1 1  -15  -17   26 o  133.929   24.061  276.279   77.511   0.0000   0.0000  276.279   77.511  ?   ?   133.929   24.061 0.000000 24.06052 
1 1 1  -15  -16    1 o  267.563   16.718  910.120  111.139  705.797  162.443  1089.93  152.387  231.340   28.738  291.422   21.082 -60.08282 35.64180 
1 1 1  -15  -16    2 o  283.076   12.971  1009.54   91.688  1078.49  163.831  978.096  110.637  289.045   22.885  277.537   16.032 11.50757 27.94155 
1 1 1  -15  -16    3 o  714.570   26.668  6627.33  475.870  6336.89  826.624  6771.30  581.978  666.437   50.036  715.640   32.566 -49.20325 59.70013 
1 1 1  -15  -16    4 o  264.231   13.002  880.221   85.791  775.042  154.931  926.732  103.028  243.284   25.900  270.199   15.332 -26.91483 30.09833 
1 1 1  -15  -16    5 o  388.067   15.743  1908.06  152.558  1972.01  271.529  1878.57  184.419  387.430   28.260  383.190   19.335 4.240173 34.24158 
1 1 1  -15  -16    6 o  190.881   11.974  460.704   56.786  425.205  107.096  474.588   66.976  179.786   24.492  193.318   13.968 -13.53214 28.19489 
1 1 1  -15  -16    7 o  235.565   21.629  718.889  125.814   0.0000   0.0000  718.889  125.814  ?   ?   235.565   21.629 0.000000 21.62934 
1 1 1  -15  -16    8 o  273.072   16.611  951.236  112.736  905.264  164.032  992.390  155.199  262.725   25.315  276.452   22.681 -13.72705 33.98962 
1 1 1  -15  -16    9 o  347.309   18.889  1546.73  163.207  1435.29  234.515  1651.40  227.275  328.846   28.849  354.931   25.819 -26.08511 38.71600 
1 1 1  -15  -16   10 o  206.940   15.683  546.819   80.445  540.194  122.140  551.894  106.907  202.446   24.670  206.100   21.068 -3.653900 32.44212 
1 1 1  -15  -16   11 o  178.962   16.063  410.376   71.020  297.836  107.647  497.114   94.505  147.362   30.266  195.961   19.574 -48.59900 36.04379 
1 1 1  -15  -16   12 o  103.104   30.691  144.923   84.890  144.923   84.890   0.0000   0.0000  103.104   30.691  ?   ?  0.000000 30.69075 
1 1 1  -15  -16   13 o  241.621   16.530  747.578   99.139  721.943  149.094  767.896  132.734  233.203   26.047  242.535   22.161 -9.331924 34.19852 
1 1 1  -15  -16   14 o  250.973   16.817  807.800  104.789  816.579  158.641  801.004  139.571  247.902   26.014  247.184   22.870 0.7176666 34.63794 
1 1 1  -15  -16   15 o  296.782   17.888  1133.44  131.948  1141.84  197.302  1126.64  177.475  292.207   27.357  292.108   24.558 0.9939575E-01 36.76297 
1 1 1  -15  -16   16 o  150.720   17.719  295.325   65.417  286.117  114.090  299.835   79.846  142.155   32.806  150.367   21.908 -8.212448 39.44831 
1 1 1  -15  -16   17 o  186.444   21.952  459.851  100.245   0.0000   0.0000  459.851  100.245  ?   ?   186.444   21.952 0.000000 21.95154 
1 1 1  -15  -16   18 o   85.781   23.436  100.610   51.626  130.368  106.278   91.419   59.063   98.609   34.733   82.421   25.813 16.18765 43.27421 
1 1 1  -15  -16   19 o  120.681   20.668  195.942   60.044  218.066  117.625  188.145   69.827  120.776   36.167  116.530   24.760 4.245979 43.82990 
1 1 1  -15  -16   20 o   76.328   24.063   79.136   51.236   31.636  109.660   92.401   57.950   76.551   32.620   81.841   25.558 -5.289459 41.43979 
1 1 1  -15  -16   21 o  132.366   37.313  279.732  128.644  279.732  128.644   0.0000   0.0000  132.366   37.313  ?   ?  0.000000 37.31309 
1 1 1  -15  -16   22 o  145.140   19.588  286.451   69.180  244.650  135.202  301.277   80.519  120.261   39.205  146.967   22.669 -26.70590 45.28662 
1 1 1  -15  -16   23 o  132.053   20.821  243.114   66.385  121.734  135.970  281.102   76.067   92.042   37.521  141.117   22.329 -49.07426 43.66245 
1 1 1  -15  -16   24 o  163.290   18.571  366.404   74.378  542.979  153.714  312.424   84.990  179.920   35.473  146.303   24.102 33.61644 42.88670 
1 1 1  -15  -16   25 o   64.265   24.061   54.310   52.095   0.0000   0.0000   54.310   52.095  ?   ?    64.265   24.061 0.000000 24.06122 
1 1 1  -15  -16   26 o  163.125   23.462  396.616   92.823   0.0000   0.0000  396.616   92.823  ?   ?   163.125   23.462 0.000000 23.46197 
1 1 1  -15  -16   27 o  238.869   25.437  884.929  149.397   0.0000   0.0000  884.929  149.397  ?   ?   238.869   25.437 0.000000 25.43689 
1 1 1  -15  -15    1 f  116.064   12.100  171.145   34.554  204.787   72.065  161.102   39.375  124.422   24.064  112.156   14.391 12.26619 28.03898 
1 1 1  -15  -15    2 o   78.501   16.213   80.727   30.731  132.637   58.229   60.686   36.180   99.773   23.719   68.382   19.952 31.39080 30.99454 
1 1 1  -15  -15    3 o   69.938   14.574   63.985   24.627   86.182   56.267   58.725   27.390   81.636   25.133   66.815   16.512 14.82130 30.07183 
1 1 1  -15  -15    4 o  245.204   14.546  761.734   88.671   0.0000   0.0000  761.734   88.671  ?   ?   245.204   14.546 0.000000 14.54618 
1 1 1  -15  -15    5 o  316.530   25.608  1303.81  200.683  1303.81  200.683   0.0000   0.0000  316.530   25.608  ?   ?  0.000000 25.60842 
1 1 1  -15  -15    6 o  265.956   12.824  891.498   85.171  868.653  154.134  901.540  102.190  258.454   24.162  266.468   15.423 -8.013947 28.66493 
1 1 1  -15  -15    7 o   62.221   15.560   50.937   24.113  123.373   61.462   37.760   26.215   95.868   25.303   54.770   17.204 41.09828 30.59783 
1 1 1  -15  -15    8 o  234.577   21.597  712.208  125.090   0.0000   0.0000  712.208  125.090  ?   ?   234.577   21.597 0.000000 21.59698 
1 1 1  -15  -15    9 o  253.464   16.087  818.481  101.293  802.101  148.438  832.756  138.570  247.783   24.302  253.461   22.115 -5.677795 32.85817 
1 1 1  -15  -15   10 o  267.798   16.589  914.956  110.390  854.402  160.915  968.788  151.721  255.026   25.614  273.231   22.435 -18.20476 34.04943 
1 1 1  -15  -15   11 o  474.245   23.248  2911.15  275.316  2865.96  392.960  2954.72  385.847  459.940   34.464  468.340   33.207 -8.399750 47.85880 
1 1 1  -15  -15   12 o  180.280   15.828  415.882   70.536  401.409  108.291  426.547   92.961  173.720   25.742  180.984   20.956 -7.263519 33.19344 
1 1 1  -15  -15   13 o  286.504   26.007  1082.31  184.043  1082.31  184.043   0.0000   0.0000  286.504   26.007  ?   ?  0.000000 26.00727 
1 1 1  -15  -15   14 o  239.727   16.415  735.266   97.677  741.828  147.045  730.084  130.671  237.007   25.233  236.463   22.396 0.5438843 33.73859 
1 1 1  -15  -15   15 o  228.807   16.810  671.508   95.377  613.727  146.110  714.410  125.901  213.725   28.054  233.977   21.799 -20.25244 35.52759 
1 1 1  -15  -15   16 o  245.390   17.228  773.761  104.903  694.750  160.201  833.072  138.800  226.727   28.956  252.335   22.255 -25.60866 36.52079 
1 1 1  -15  -15   17 o   95.107   22.718  122.488   53.215   90.201   98.435  135.821   63.255   88.647   33.097   99.652   25.357 -11.00484 41.69401 
1 1 1  -15  -15   18 o  199.807   22.085  527.018  108.353   0.0000   0.0000  527.018  108.353  ?   ?   199.807   22.085 0.000000 22.08518 
1 1 1  -15  -15   19 o  255.913   18.222  850.270  115.690  680.133  178.773  972.857  151.748  218.889   33.794  271.090   22.623 -52.20142 40.66748 
1 1 1  -15  -15   20 o  164.311   18.010  353.908   72.688  388.289  130.206  338.342   87.610  163.861   32.962  158.416   22.804 5.444412 40.08157 
1 1 1  -15  -15   21 f   89.177   23.981  110.995   54.562  118.758  115.654  108.772   61.881   95.038   35.798   88.110   26.198 6.927315 44.36030 
1 1 1  -15  -15   22 o  103.520   36.970  160.839  120.811  160.839  120.811   0.0000   0.0000  103.520   36.970  ?   ?  0.000000 36.97021 
1 1 1  -15  -15   23 o  210.260   18.143  590.032   94.327  589.517  163.247  590.291  115.573  194.734   34.850  206.585   22.782 -11.85162 41.63555 
1 1 1  -15  -15   24 o   35.838   17.008 -43.8753   41.055 -14.5700  120.253 -47.7418   43.680   69.223   31.540   36.713   17.458 32.51035 36.04923 
1 1 1  -15  -15   25 o  100.277   23.472  147.857   57.739  227.162  138.492  131.173   63.523  110.460   39.569   92.823   26.239 17.63660 47.47802 
1 1 1  -15  -15   26 o   75.565   25.458   85.245   56.892   0.0000   0.0000   85.245   56.892  ?   ?    75.565   25.458 0.000000 25.45786 
1 1 1  -15  -15   27 o   43.130   19.636 -16.0565   46.496   0.0000   0.0000 -16.0565   46.496  ?   ?    43.130   19.636 0.000000 19.63581 
1 1 1  -15  -15   28 o  185.217   23.744  518.333  107.291   0.0000   0.0000  518.333  107.291  ?   ?   185.217   23.744 0.000000 23.74362 
1 1 1  -15  -14    1 o  356.362   15.124  1600.91  134.592  1496.48  236.748  1650.78  163.602  339.517   28.178  360.653   18.225 -21.13562 33.55828 
1 1 1  -15  -14    2 o  333.940   14.039  1404.48  117.069  1392.45  206.346  1410.19  142.164  328.429   25.356  333.496   17.128 -5.066650 30.59900 
1 1 1  -15  -14    3 o  238.838   15.323  722.840   90.908  651.042  134.680  782.930  123.212  224.044   24.470  247.329   20.124 -23.28499 31.68220 
1 1 1  -15  -14    4 o   64.218   20.326   51.842   36.530   74.432   54.494   33.406   49.229   76.965   24.875   60.817   23.248 16.14783 34.04802 
1 1 1  -15  -14    5 o  184.761   11.150  430.461   51.203  524.662   98.379  395.463   59.965  202.085   19.747  176.608   13.704 25.47643 24.03644 
1 1 1  -15  -14    6 o  191.952   11.392  464.831   54.360  503.267  102.981  449.983   64.004  197.353   21.230  188.417   13.697 8.936218 25.26472 
1 1 1  -15  -14    7 o  427.129   17.301  2315.79  184.536  2149.78  323.565  2395.81  224.654  402.239   32.490  432.882   20.782 -30.64307 38.56816 
1 1 1  -15  -14    8 o   68.433   15.351   61.562   25.588   2.3917   61.144   74.124   28.174   57.095   24.344   75.188   15.520 -18.09313 28.87018 
1 1 1  -15  -14    9 o   82.579   23.962   90.048   52.313   0.0000   0.0000   90.048   52.313  ?   ?    82.579   23.962 0.000000 23.96157 
1 1 1  -15  -14   10 o  272.396   12.533  935.468   85.255  1060.13  157.393  883.703  101.423  286.272   22.190  263.655   15.472 22.61642 27.05177 
1 1 1  -15  -14   11 o  205.678   15.396  539.072   78.503  580.015  118.722  507.262  104.646  210.901   22.911  197.576   21.560 13.32512 31.46025 
1 1 1  -15  -14   12 o  219.681   15.859  615.581   86.416  582.397  129.032  642.570  116.368  210.363   25.056  222.666   21.183 -12.30267 32.81047 
1 1 1  -15  -14   13 o  212.476   15.888  576.374   83.692  583.896  126.005  570.437  111.954  210.806   24.386  209.399   21.726 1.406586 32.66063 
1 1 1  -15  -14   14 o  104.065   30.494  147.413   84.352  147.413   84.352   0.0000   0.0000  104.065   30.494  ?   ?  0.000000 30.49365 
1 1 1  -15  -14   15 o  134.596   17.986  235.304   58.941  237.860   97.801  233.846   73.861  131.280   30.427  132.571   23.153 -1.290604 38.23455 
1 1 1  -15  -14   16 o  381.279   19.892  1874.56  188.738  2007.88  274.814  1755.54  259.662  388.257   28.545  362.635   28.914 25.62244 40.63048 
1 1 1  -15  -14   17 o  137.487   18.241  246.173   61.081  234.583  103.304  252.403   75.738  129.413   32.117  137.727   22.821 -8.313141 39.39932 
1 1 1  -15  -14   18 o  144.453   18.414  271.995   64.915  236.730  112.346  289.669   79.535  129.006   34.287  147.791   22.240 -18.78529 40.86793 
1 1 1  -15  -14   19 o  160.187   22.729  341.353   88.369   0.0000   0.0000  341.353   88.369  ?   ?   160.187   22.729 0.000000 22.72876 
1 1 1  -15  -14   20 o  231.995   17.384  696.526   99.979  706.938  159.865  689.838  128.128  227.029   28.850  228.039   22.806 -1.009995 36.77516 
1 1 1  -15  -14   21 o   92.002   23.271  116.576   53.503  189.358  112.025   95.068   60.897  113.704   35.539   83.651   26.212 30.05251 44.16040 
1 1 1  -15  -14   22 o  204.954   17.566  550.172   89.037  631.469  151.266  507.073  110.138  211.339   29.464  193.381   23.275 17.95883 37.54752 
1 1 1  -15  -14   23 o  122.326   37.505  237.174  125.440  237.174  125.440   0.0000   0.0000  122.326   37.505  ?   ?  0.000000 37.50471 
1 1 1  -15  -14   24 o   58.212   22.950   32.195   49.123   14.783  118.375   35.817   53.991   74.115   32.703   60.863   24.039 13.25162 40.58809 
1 1 1  -15  -14   25 o   62.832   23.582   47.083   50.101  224.050  127.656   14.861   54.471  114.059   38.136   54.759   23.147 59.29988 44.61061 
1 1 1  -15  -14   26 o   66.593   23.893   59.375   50.517  101.591  130.600   51.948   54.781   86.507   36.160   64.827   24.586 21.67987 43.72619 
1 1 1  -15  -14   27 o   99.682   26.072  153.461   65.641   0.0000   0.0000  153.461   65.641  ?   ?    99.682   26.072 0.000000 26.07240 
1 1 1  -15  -14   28 o  126.179   25.354  243.971   77.116   0.0000   0.0000  243.971   77.116  ?   ?   126.179   25.354 0.000000 25.35407 
1 1 1  -15  -13    1 o  428.783   16.927  2320.50  181.251  2211.47  316.171  2373.88  221.208  412.419   30.925  432.612   20.476 -20.19321 37.08934 
1 1 1  -15  -13    2 o  187.227   10.786  441.142   50.217  550.525   94.682  398.331   59.234  207.799   18.438  177.475   13.466 30.32352 22.83148 
1 1 1  -15  -13    3 o  246.161   12.388  763.322   75.908  765.412  136.218  762.380   91.417  244.026   22.611  245.509   14.983 -1.483063 27.12420 
1 1 1  -15  -13    4 o  147.587   14.705  277.197   53.474  123.663   82.050  390.560   70.503   97.560   30.402  175.107   16.311 -77.54666 34.50159 
1 1 1  -15  -13    5 o  225.009   11.495  637.666   64.372  690.713  117.715  615.036   76.886  232.085   20.523  220.500   14.036 11.58563 24.86362 
1 1 1  -15  -13    6 o  294.672   13.868  1094.39  102.050  855.464  180.073  1207.43  123.859  255.219   28.756  308.604   16.128 -53.38582 32.96965 
1 1 1  -15  -13    7 o  250.101   12.945  789.799   80.572  693.938  144.703  832.873   96.999  230.635   25.554  256.311   15.223 -25.67570 29.74502 
1 1 1  -15  -13    8 o  266.410   12.855  894.071   85.519  888.339  154.469  896.605  102.693  261.752   23.896  265.812   15.539 -4.060150 28.50341 
1 1 1  -15  -13    9 o  142.499   11.772  257.207   41.514  271.607   83.984  252.551   47.756  143.336   24.334  140.827   13.755 2.508774 27.95235 
1 1 1  -15  -13   10 o  304.870   24.392  1207.50  184.142   0.0000   0.0000  1207.50  184.142  ?   ?   304.870   24.392 0.000000 24.39163 
1 1 1  -15  -13   11 o  409.392   17.077  2129.49  174.578  1836.09  306.996  2269.72  212.235  369.867   33.605  421.216   20.177 -51.34924 39.19702 
1 1 1  -15  -13   12 o  182.439   12.012  421.093   54.420  370.991  105.441  439.284   63.536  167.113   26.122  185.977   13.779 -18.86427 29.53312 
1 1 1  -15  -13   13 o  321.144   17.760  1317.63  141.877  1402.30  206.647  1242.13  195.136  327.489   25.469  308.045   25.599 19.44400 36.11069 
1 1 1  -15  -13   14 o   34.475   16.201 -36.8858   35.596 -115.8626   67.164  -6.0374   41.976   41.472   20.193   45.408   19.770 -3.935928 28.26001 
1 1 1  -15  -13   15 f  115.090   30.434  182.099   88.807  182.099   88.807   0.0000   0.0000  115.090   30.434  ?   ?  0.000000 30.43419 
1 1 1  -15  -13   16 o  152.454   17.094  299.684   63.956  290.016  102.136  305.920   82.030  145.872   29.059  152.458   22.198 -6.586014 36.56760 
1 1 1  -15  -13   17 o  243.645   16.738  759.999  101.220  795.399  154.043  733.100  134.279  245.388   25.511  236.704   23.008 8.684570 34.35380 
1 1 1  -15  -13   18 o   92.290   22.760  114.859   52.124  141.272   94.832  103.425   62.394  102.295   32.789   87.909   26.345 14.38546 42.06140 
1 1 1  -15  -13   19 o  175.406   17.589  397.699   76.004  291.587  124.243  461.155   96.078  143.047   35.055  187.777   20.841 -44.73004 40.78231 
1 1 1  -15  -13   20 o  129.908   24.379  228.233   76.182   0.0000   0.0000  228.233   76.182  ?   ?   129.908   24.379 0.000000 24.37925 
1 1 1  -15  -13   21 o  135.286   19.702  241.848   64.607  261.325  117.614  233.431   77.316  134.156   34.808  130.985   24.539 3.171356 42.58848 
1 1 1  -15  -13   22 o  200.533   17.994  524.750   89.150  446.372  147.370  569.987  111.959  174.887   34.966  206.921   22.005 -32.03412 41.31417 
1 1 1  -15  -13   23 o  117.540   21.611  188.153   61.094  321.490  125.295  146.563   69.976  146.476   34.774  101.547   27.093 44.92960 44.08261 
1 1 1  -15  -13   24 o   96.825   36.341  130.637  118.983  130.637  118.983   0.0000   0.0000   96.825   36.341  ?   ?  0.000000 36.34126 
1 1 1  -15  -13   25 o  114.845   22.309  184.559   61.673  171.936  127.009  188.453   70.548  104.492   37.834  114.399   25.361 -9.907761 45.54760 
1 1 1  -15  -13   26 o  142.675   20.362  281.049   70.489  252.895  139.880  290.633   81.609  119.495   39.920  142.817   23.715 -23.32188 46.43257 
1 1 1  -15  -13   27 f  249.254   19.808  856.019  122.278  696.352  203.047  946.874  153.166  193.987   43.041  256.467   24.202 -62.47928 49.37831 
1 1 1  -15  -13   28 o  129.160   24.934  249.606   77.510   0.0000   0.0000  249.606   77.510  ?   ?   129.160   24.934 0.000000 24.93447 
1 1 1  -15  -13   29 o  209.800   24.512  656.992  126.001   0.0000   0.0000  656.992  126.001  ?   ?   209.800   24.512 0.000000 24.51234 
1 1 1  -15  -13   30 o  103.507   26.297  171.398   68.107   0.0000   0.0000  171.398   68.107  ?   ?   103.507   26.297 0.000000 26.29689 
1 1 1  -15  -12    1 o  423.466   16.692  2260.25  176.510  2209.59  307.890  2285.05  215.425  413.389   30.030  424.826   20.306 -11.43741 36.25163 
1 1 1  -15  -12    2 o  305.330   17.119  1179.77  130.000   0.0000   0.0000  1179.77  130.000  ?   ?   305.330   17.119 0.000000 17.11893 
1 1 1  -15  -12    3 o  579.461   39.373  4453.44  566.357  4453.44  566.357   0.0000   0.0000  579.461   39.373  ?   ?  0.000000 39.37307 
1 1 1  -15  -12    4 o  411.057   20.905  2151.63  213.879  1784.53  304.513  2509.04  300.470  368.629   33.444  440.951   27.423 -72.32178 43.24963 
1 1 1  -15  -12    5 o  184.443   13.960  430.634   63.820  409.280   97.464  446.662   84.441  177.857   22.444  186.962   18.322 -9.104843 28.97266 
1 1 1  -15  -12    6 o  302.194   13.593  1149.66  102.578  1145.34  182.049  1151.66  124.165  297.894   24.695  301.422   16.559 -3.528259 29.73305 
1 1 1  -15  -12    7 o  133.000   11.690  223.973   38.432  153.553   75.270  248.805   44.698  106.980   27.889  140.027   12.929 -33.04768 30.74033 
1 1 1  -15  -12    8 o  230.820   12.488  672.319   71.715  566.499  129.410  719.221   86.154  208.283   25.407  238.318   14.546 -30.03467 29.27686 
1 1 1  -15  -12    9 o  369.433   15.357  1725.16  141.670  1711.24  250.045  1731.74  171.929  361.963   27.878  368.589   18.741 -6.626587 33.59150 
1 1 1  -15  -12   10 o  296.959   13.302  1111.71   98.643  1190.09  177.997  1076.98  118.505  303.275   23.691  291.128   16.367 12.14694 28.79496 
1 1 1  -15  -12   11 o  315.504   24.933  1293.88  194.840   0.0000   0.0000  1293.88  194.840  ?   ?   315.504   24.933 0.000000 24.93302 
1 1 1  -15  -12   12 o  214.368   12.115  580.531   64.590  602.341  121.763  571.991   76.194  215.198   23.015  212.256   14.461 2.942017 27.18132 
1 1 1  -15  -12   13 o  163.342   11.966  337.796   48.470  235.264   96.472  372.418   56.059  131.290   30.072  171.302   13.207 -40.01221 32.84386 
1 1 1  -15  -12   14 o  292.552   13.748  1081.35  100.438  1059.74  183.162  1090.64  120.107  284.262   26.094  292.608   16.505 -8.346008 30.87560 
1 1 1  -15  -12   15 o  173.198   16.013  383.832   68.475  406.126  105.631  367.673   89.930  175.372   24.813  167.699   22.006 7.673019 33.16501 
1 1 1  -15  -12   16 o  192.913   25.388  491.808  119.334  491.808  119.334   0.0000   0.0000  192.913   25.388  ?   ?  0.000000 25.38814 
1 1 1  -15  -12   17 o  102.059   21.252  138.766   52.403  181.218   90.426  117.299   64.302  114.706   30.883   93.337   26.404 21.36907 40.63178 
1 1 1  -15  -12   18 o  256.662   16.742  842.648  106.718  956.973  162.279  755.533  141.657  270.133   24.317  239.978   23.959 30.15532 34.13708 
1 1 1  -15  -12   19 o  201.366   17.001  520.935   84.690  503.177  133.411  532.922  109.606  193.129   28.521  201.773   22.116 -8.643875 36.09059 
1 1 1  -15  -12   20 o   99.166   22.949  132.847   55.704  118.180  102.984  138.912   66.229   96.645   34.174  100.828   26.100 -4.183357 43.00126 
1 1 1  -15  -12   21 o  161.486   23.231  347.217   90.984   0.0000   0.0000  347.217   90.984  ?   ?   161.486   23.231 0.000000 23.23080 
1 1 1  -15  -12   22 o   49.394   21.359  -2.2143   48.333 -18.4002  101.077   2.5838   55.033   67.443   29.966   53.733   23.007 13.70983 37.77954 
1 1 1  -15  -12   23 o  146.988   20.014  286.678   71.552  130.966  127.047  359.012   86.591  100.490   37.585  163.967   21.679 -63.47675 43.38903 
1 1 1  -15  -12   24 o   92.226   24.599  118.938   57.695   53.592  116.174  140.331   66.471   82.273   34.223   99.615   26.325 -17.34174 43.17619 
1 1 1  -15  -12   25 o   89.767   35.744   96.000  120.271   96.000  120.271   0.0000   0.0000   89.767   35.744  ?   ?  0.000000 35.74435 
1 1 1  -15  -12   26 o   82.178   24.547   96.120   54.235  245.109  126.366   62.480   60.047  122.138   37.676   70.621   25.946 51.51698 45.74551 
1 1 1  -15  -12   27 o  181.641   19.288  449.032   86.149  455.480  158.963  446.351  102.507  162.995   39.474  177.511   23.718 -14.51646 46.05138 
1 1 1  -15  -12   28 o   70.377   32.469 -19.6018  132.929 -19.6018  132.929   0.0000   0.0000   70.377   32.469  ?   ?  0.000000 32.46916 
1 1 1  -15  -12   29 o  153.110   24.122  344.687   89.177   0.0000   0.0000  344.687   89.177  ?   ?   153.110   24.122 0.000000 24.12214 
1 1 1  -15  -12   30 f  129.891   25.230  256.652   78.888   0.0000   0.0000  256.652   78.888  ?   ?   129.891   25.230 0.000000 25.23015 
1 1 1  -15  -12   31 o   64.695   25.019   55.846   57.473   0.0000   0.0000   55.846   57.473  ?   ?    64.695   25.019 0.000000 25.01914 
1 1 1  -15  -11    1 o  473.705   17.663  2828.68  208.941  3208.63  366.370  2645.54  254.360  499.487   29.504  456.828   22.297 42.65915 36.98141 
1 1 1  -15  -11    2 o  596.029   22.172  4505.87  330.003  3977.80  571.387  4770.17  404.238  547.671   42.102  611.231   26.484 -63.55957 49.73869 
1 1 1  -15  -11    3 o  426.616   16.528  2293.50  176.083  2491.19  308.349  2197.83  214.497  439.947   28.215  416.561   20.620 23.38538 34.94712 
1 1 1  -15  -11    4 o  104.507   12.265  138.953   31.401  138.869   63.871  138.980   36.059  102.317   25.171  104.182   14.233 -1.864868 28.91605 
1 1 1  -15  -11    5 o  356.639   18.297  1612.44  162.403  1606.76  233.261  1617.79  226.244  353.050   26.654  354.645   25.721 -1.595001 37.04113 
1 1 1  -15  -11    6 o  236.893   12.162  706.721   71.704  733.624  128.674  694.604   86.354  239.171   21.783  234.360   14.832 4.810410 26.35316 
1 1 1  -15  -11    7 o  433.902   16.849  2379.65  182.568  2442.31  319.571  2349.30  222.442  433.156   29.724  429.789   20.726 3.367828 36.23636 
1 1 1  -15  -11    8 o  132.212   10.999  220.962   35.985  277.166   73.088  202.978   41.343  146.224   20.586  126.305   13.308 19.91917 24.51308 
1 1 1  -15  -11    9 o  119.883   11.748  182.348   34.717  200.350   71.525  176.800   39.708  122.950   24.158  117.673   13.773 5.277550 27.80816 
1 1 1  -15  -11   10 o  343.230   13.829  1485.35  118.527  1654.99  211.992  1408.20  142.959  358.170   23.838  332.874   17.257 25.29541 29.42896 
1 1 1  -15  -11   11 o  421.475   20.913  2269.89  220.110  2339.63  315.657  2203.89  307.084  421.811   30.166  409.273   30.261 12.53833 42.72866 
1 1 1  -15  -11   12 o  198.799   14.368  501.627   70.848   0.0000   0.0000  501.627   70.848  ?   ?   198.799   14.368 0.000000 14.36804 
1 1 1  -15  -11   13 o  245.227   12.587  759.656   76.821  690.857  141.783  788.247   91.400  229.866   25.108  249.277   14.749 -19.41113 29.11967 
1 1 1  -15  -11   14 o  277.480   12.846  970.841   89.016  1047.50  164.081  938.868  105.965  284.197   23.326  271.792   15.679 12.40521 28.10559 
1 1 1  -15  -11   15 o  222.349   12.760  625.475   70.554  530.841  133.424  662.208   83.127  200.011   27.436  228.337   14.656 -28.32608 31.10537 
1 1 1  -15  -11   16 o  314.514   14.501  1251.56  113.887  1181.09  206.177  1282.50  136.622  299.150   27.922  317.046   17.322 -17.89557 32.85875 
1 1 1  -15  -11   17 o   99.156   16.385  128.042   39.154  187.450   85.104  112.091   44.099  117.087   29.204   91.898   19.800 25.18821 35.28381 
1 1 1  -15  -11   18 o  122.170   19.294  195.361   56.908  213.548   95.108  185.219   71.025  124.481   30.771  117.275   25.015 7.206734 39.65646 
1 1 1  -15  -11   19 o  176.208   16.840  398.907   73.198  497.595  118.135  337.409   93.256  193.975   24.968  159.521   24.167 34.45441 34.74854 
1 1 1  -15  -11   20 o  214.564   17.111  590.985   90.918  581.344  141.945  597.692  118.392  208.174   28.016  213.691   22.526 -5.516418 35.94901 
1 1 1  -15  -11   21 o  267.832   17.820  922.431  118.505  904.847  181.052  935.612  156.746  259.618   28.389  266.783   23.777 -7.164673 37.03127 
1 1 1  -15  -11   22 o  140.241   20.342  259.243   69.161  236.467  130.914  268.061   81.455  127.767   38.131  141.297   23.940 -13.52936 45.02352 
1 1 1  -15  -11   23 o  239.660   18.040  744.349  107.172  648.901  167.413  810.624  139.503  215.475   32.092  247.514   22.827 -32.03857 39.38270 
1 1 1  -15  -11   24 o  135.476   20.477  244.860   67.116  230.874  123.802  250.680   79.871  124.351   37.074  135.328   24.538 -10.97642 44.45919 
1 1 1  -15  -11   25 o  265.823   18.621  927.784  122.825  869.091  192.496  968.089  159.517  245.919   32.113  267.184   24.170 -21.26485 40.19205 
1 1 1  -15  -11   26 o   94.417   36.673  117.247  123.899  117.247  123.899   0.0000   0.0000   94.417   36.673  ?   ?  0.000000 36.67260 
1 1 1  -15  -11   27 o   88.375   27.071  113.525   65.373   0.0000   0.0000  113.525   65.373  ?   ?    88.375   27.071 0.000000 27.07139 
1 1 1  -15  -11   28 o  194.282   19.376  513.718   92.752  456.239  166.274  539.683  111.755  160.755   41.223  195.680   23.330 -34.92534 47.36710 
1 1 1  -15  -11   29 o  113.998   23.879  190.093   65.799   98.727  142.346  214.921   74.203   87.363   37.194  120.208   25.509 -32.84523 45.10088 
1 1 1  -15  -11   30 o  155.879   24.300  357.513   91.505   0.0000   0.0000  357.513   91.505  ?   ?   155.879   24.300 0.000000 24.29985 
1 1 1  -15  -11   31 o   96.664   27.355  149.051   69.002   0.0000   0.0000  149.051   69.002  ?   ?    96.664   27.355 0.000000 27.35473 
1 1 1  -15  -11   32 o   80.817   26.806  104.698   63.106   0.0000   0.0000  104.698   63.106  ?   ?    80.817   26.806 0.000000 26.80589 
1 1 1  -15  -10    1 o  303.072   12.754  1152.10   96.527  1240.21  171.110  1110.97  116.904  312.285   22.084  296.836   15.828 15.44955 27.17071 
1 1 1  -15  -10    2 o  824.914   29.857  8718.15  615.052  7902.57  1064.90  9126.40  753.423  759.269   56.571  839.221   35.951 -79.95184 67.02777 
1 1 1  -15  -10    3 o  183.284   10.894  422.442   49.637  472.567   91.787  401.724   59.010  192.504   19.356  178.393   13.343 14.11092 23.50941 
1 1 1  -15  -10    4 o  301.055   12.911  1137.79   97.064  1304.97  172.423  1060.23  117.440  320.143   21.696  289.703   16.300 30.43988 27.13637 
1 1 1  -15  -10    5 o  241.588   11.164  731.882   67.349  916.851  122.573  651.889   80.607  268.810   18.370  227.255   14.276 41.55486 23.26521 
1 1 1  -15  -10    6 o  279.066   15.455  983.874  107.279  1064.13  156.882  913.384  147.029  288.594   21.933  267.166   22.240 21.42755 31.23573 
1 1 1  -15  -10    7 o  304.552   13.841  1166.85  105.262  1125.61  185.865  1186.33  127.717  295.492   25.436  306.102   16.772 -10.61044 30.46819 
1 1 1  -15  -10    8 f  374.949   13.399  1768.66  125.459  2279.67  223.973  1535.01  151.449  422.763   21.283  348.405   17.407 74.35788 27.49544 
1 1 1  -15  -10    9 o  659.135   24.180  5567.46  397.999  5704.66  692.563  5499.80  486.324  648.377   43.018  650.691   29.930 -2.313477 52.40570 
1 1 1  -15  -10   10 f  261.432   12.311  859.554   80.373  914.706  145.417  835.295   96.442  266.744   22.028  256.822   15.104 9.922180 26.70893 
1 1 1  -15  -10   11 o  214.378   11.444  579.216   61.042  690.500  114.636  535.176   72.116  232.040   19.979  205.530   14.137 26.51031 24.47435 
1 1 1  -15  -10   12 o  234.179   21.782  707.328  125.917   0.0000   0.0000  707.328  125.917  ?   ?   234.179   21.782 0.000000 21.78177 
1 1 1  -15  -10   13 o   72.201   16.035   68.537   28.159   37.837   68.034   74.883   30.932   68.704   27.033   75.413   16.850 -6.709190 31.85432 
1 1 1  -15  -10   14 o  156.639   11.816  310.489   45.877  295.462   92.192  315.435   52.891  149.183   25.673  157.557   13.575 -8.374298 29.04117 
1 1 1  -15  -10   15 o  271.232   12.928  927.560   87.562  996.814  160.722  898.329  104.419  277.223   23.436  265.839   15.800 11.38354 28.26485 
1 1 1  -15  -10   16 o  416.494   17.328  2205.25  180.223  1989.94  318.047  2307.09  218.730  385.280   33.387  424.420   20.638 -39.14032 39.25060 
1 1 1  -15  -10   17 o  342.328   19.708  1503.15  167.762  1162.66  243.757  1809.57  231.241  293.316   33.904  372.780   24.985 -79.46368 42.11560 
1 1 1  -15  -10   18 o  261.273   12.666  861.143   82.641  957.593  157.594  824.561   97.056  271.246   23.498  254.618   15.336 16.62785 28.06014 
1 1 1  -15  -10   19 o  333.479   14.370  1407.79  119.671  1493.42  220.085  1371.84  142.593  337.194   26.347  327.682   17.489 9.511932 31.62289 
1 1 1  -15  -10   20 o  155.409   12.748  306.986   49.038  349.369  110.551  296.604   54.716  160.687   28.599  152.329   14.561 8.357864 32.09245 
1 1 1  -15  -10   21 o  257.041   17.488  847.348  111.582  831.626  169.333  859.414  148.344  249.830   27.603  256.223   23.445 -6.393539 36.21598 
1 1 1  -15  -10   22 o  182.772   18.157  431.993   81.772  393.690  136.707  453.333  102.039  167.637   33.823  185.632   22.470 -17.99461 40.60656 
1 1 1  -15  -10   23 o  234.730   17.566  710.429  102.220  833.409  165.950  635.241  129.758  249.162   27.109  218.837   24.147 30.32523 36.30357 
1 1 1  -15  -10   24 o  147.643   19.369  286.687   69.687  443.734  126.349  218.027   83.543  179.202   29.243  125.350   27.450 53.85249 40.10781 
1 1 1  -15  -10   25 o  146.393   20.246  284.925   72.034  244.477  130.309  302.724   86.442  127.346   38.052  149.229   24.011 -21.88300 44.99378 
1 1 1  -15  -10   26 f  264.516   18.575  918.958  121.919  998.184  197.300  870.018  155.068  265.367   30.318  252.473   24.921 12.89424 39.24548 
1 1 1  -15  -10   27 o  100.878   38.219  145.969  132.296  145.969  132.296   0.0000   0.0000  100.878   38.219  ?   ?  0.000000 38.21887 
1 1 1  -15  -10   28 o  158.705   20.677  344.210   80.001  157.621  147.962  421.290   95.100  101.845   39.931  174.591   22.324 -72.74622 45.74793 
1 1 1  -15  -10   29 o  145.455   20.981  293.866   74.004  290.213  148.614  295.070   85.337  126.504   41.097  143.040   24.789 -16.53649 47.99400 
1 1 1  -15  -10   30 o   95.319   27.554  139.837   69.289   0.0000   0.0000  139.837   69.289  ?   ?    95.319   27.554 0.000000 27.55351 
1 1 1  -15  -10   31 o  111.379   27.303  192.728   75.353   0.0000   0.0000  192.728   75.353  ?   ?   111.379   27.303 0.000000 27.30338 
1 1 1  -15  -10   32 o  196.964   24.466  577.500  117.745   0.0000   0.0000  577.500  117.745  ?   ?   196.964   24.466 0.000000 24.46605 
1 1 1  -15  -10   33 o   69.025   26.300   68.154   62.869   0.0000   0.0000   68.154   62.869  ?   ?    69.025   26.300 0.000000 26.29952 
1 1 1  -15   -9    1 o  503.354   23.851  3210.22  299.801  3210.22  299.801   0.0000   0.0000  503.354   23.851  ?   ?  0.000000 23.85112 
1 1 1  -15   -9    2 o  424.876   16.891  2271.26  179.208  2253.79  312.435  2279.83  218.774  418.792   30.076  424.884   20.619 -6.091278 36.46496 
1 1 1  -15   -9    3 o  519.164   19.339  3400.79  250.718  3662.70  436.978  3272.26  306.117  532.571   33.020  507.784   24.141 24.78696 40.90378 
1 1 1  -15   -9    4 o  120.719   11.444  184.286   34.087  218.654   67.212  172.387   39.550  129.796   21.488  116.357   13.886 13.43961 25.58434 
1 1 1  -15   -9    5 o  302.288   13.651  1147.65  103.045  1052.14  181.336  1193.20  125.229  286.259   25.639  307.411   16.372 -21.15176 30.42033 
1 1 1  -15   -9    6 o  333.046   14.341  1394.52  119.269  1369.42  209.066  1406.63  145.218  326.572   25.847  333.485   17.499 -6.913757 31.21379 
1 1 1  -15   -9    7 o  348.934   14.937  1532.46  130.152  2161.34  192.015  997.940  177.024  413.484   18.596  278.295   25.765 135.1891 31.77523 
1 1 1  -15   -9    8 o  366.645   14.947  1692.97  136.854  1759.92  240.645  1660.97  166.378  369.689   26.237  361.895   18.472 7.794586 32.08755 
1 1 1  -15   -9    9 o  441.928   17.674  2470.11  195.042  2275.10  340.334  2565.47  238.003  416.435   32.997  449.111   21.222 -32.67618 39.23234 
1 1 1  -15   -9   10 o  210.408   12.451  558.479   65.131  422.524  117.726  618.447   78.187  179.235   27.153  221.120   14.235 -41.88435 30.65820 
1 1 1  -15   -9   11 o  488.513   19.106  3030.91  233.072  2852.07  406.684  3118.37  284.414  463.336   35.417  493.604   23.074 -30.26749 42.27024 
1 1 1  -15   -9   12 o  187.335   11.649  442.800   54.225  484.643  102.045  426.336   64.009  193.716   21.455  183.360   14.087 10.35561 25.66653 
1 1 1  -15   -9   13 o  477.552   33.646  3026.36  398.669   0.0000   0.0000  3026.36  398.669  ?   ?   477.552   33.646 0.000000 33.64551 
1 1 1  -15   -9   14 o  246.129   12.932  765.248   79.206  687.247  144.993  798.426   94.562  229.261   25.773  250.885   15.165 -21.62386 29.90329 
1 1 1  -15   -9   15 o  338.662   13.668  1446.98  115.590  1745.18  209.839  1317.08  138.497  367.831   22.960  321.662   17.306 46.16870 28.75111 
1 1 1  -15   -9   16 o  308.560   13.982  1202.20  107.733  1172.40  194.279  1215.43  129.461  299.518   26.239  309.042   16.839 -9.523682 31.17779 
1 1 1  -15   -9   17 o  218.858   13.064  606.218   71.070  480.836  133.163  656.157   84.041  189.695   29.035  227.279   14.890 -37.58408 32.63008 
1 1 1  -15   -9   18 o  244.544   14.904  759.523   90.582  919.526  143.691  654.003  116.689  266.727   21.763  224.943   21.017 41.78340 30.25433 
1 1 1  -15   -9   19 o  296.075   13.868  1107.88  102.534  1117.27  189.319  1103.98  121.971  291.794   26.263  294.324   16.664 -2.529846 31.10339 
1 1 1  -15   -9   20 o  252.475   12.823  806.563   80.582  920.794  157.736  766.223   93.736  265.565   24.046  245.351   15.377 20.21471 28.54240 
1 1 1  -15   -9   21 o  268.168   12.526  907.720   83.881  1086.11  165.448  846.003   97.316  288.780   23.137  257.814   15.183 30.96625 27.67358 
1 1 1  -15   -9   22 o  617.957   23.146  4956.75  357.185  5281.18  629.794  4802.92  433.679  611.761   41.470  601.983   28.849 9.778870 50.51804 
1 1 1  -15   -9   23 o  372.094   28.744  1851.96  265.020   0.0000   0.0000  1851.96  265.020  ?   ?   372.094   28.744 0.000000 28.74450 
1 1 1  -15   -9   24 o   70.191   17.788   65.649   31.218   15.548  107.225   70.290   32.632   75.319   32.179   72.583   18.073 2.736481 36.90669 
1 1 1  -15   -9   25 o   73.962   25.355   68.658   56.441 -24.6490  110.283  101.771   65.697   69.427   31.043   86.820   27.229 -17.39297 41.29279 
1 1 1  -15   -9   26 o  105.382   27.559  156.661   73.346   0.0000   0.0000  156.661   73.346  ?   ?   105.382   27.559 0.000000 27.55870 
1 1 1  -15   -9   27 o  150.516   20.371  303.710   74.601  613.203  142.220  186.230   87.623  209.222   27.918  112.936   30.398 96.28577 41.27266 
1 1 1  -15   -9   28 o   64.660   25.091   43.261   57.955 -63.4884  118.869   76.550   66.379   65.011   30.239   76.658   27.401 -11.64688 40.80707 
1 1 1  -15   -9   29 o  137.656   21.413  261.930   71.216  332.198  144.669  239.457   81.815  139.997   39.606  128.399   26.398 11.59854 47.59700 
1 1 1  -15   -9   30 o   98.044   25.252  141.885   62.201  150.045  140.448  139.894   69.376   97.627   38.705   96.249   27.496 1.378113 47.47689 
1 1 1  -15   -9   31 o  238.510   25.216  828.584  147.909   0.0000   0.0000  828.584  147.909  ?   ?   238.510   25.216 0.000000 25.21580 
1 1 1  -15   -9   32 o  210.387   24.690  650.452  127.250   0.0000   0.0000  650.452  127.250  ?   ?   210.387   24.690 0.000000 24.69019 
1 1 1  -15   -9   33 o   74.993   27.275   84.004   66.118   0.0000   0.0000   84.004   66.118  ?   ?    74.993   27.275 0.000000 27.27546 
1 1 1  -15   -9   34 o   50.609   22.561  -0.7792   57.785   0.0000   0.0000  -0.7792   57.785  ?   ?    50.609   22.561 0.000000 22.56104 
1 1 1  -15   -8    1 o  377.401   13.171  1785.85  124.131  1760.73  175.428  1811.05  175.668  373.450   18.872  379.274   18.548 -5.823944 26.46090 
1 1 1  -15   -8    2 o  367.754   12.912  1695.69  118.575  1679.79  167.649  1711.59  167.732  364.780   18.464  368.716   18.217 -3.936707 25.93812 
1 1 1  -15   -8    3 o  530.087   17.372  3536.08  229.958  3559.96  325.275  3512.22  325.144  529.801   24.586  526.184   24.745 3.617249 34.88241 
1 1 1  -15   -8    4 f  233.305   12.169  684.217   70.652  649.700  125.920  700.077   85.354  225.442   22.675  235.662   14.575 -10.21977 26.95523 
1 1 1  -15   -8    5 o  382.797   15.749  1842.75  150.550  1779.58  263.006  1873.54  183.606  372.155   28.517  385.339   19.081 -13.18463 34.31196 
1 1 1  -15   -8    6 o  512.223   19.414  3314.11  248.327  3412.77  432.645  3265.63  303.255  512.738   33.982  506.942   23.955 5.796509 41.57710 
1 1 1  -15   -8    7 o  159.905   13.844  323.642   54.736  281.059   84.044  355.007   72.130  146.917   23.716  166.875   17.573 -19.95827 29.51696 
1 1 1  -15   -8    8 o  546.752   25.512  3818.92  348.332  3697.91  495.004  3937.61  490.262  529.881   37.654  548.049   36.023 -18.16815 52.11090 
1 1 1  -15   -8    9 o  298.762   13.628  1122.39  101.674  1069.65  179.675  1147.24  123.318  288.188   25.221  301.130   16.462 -12.94232 30.11753 
1 1 1  -15   -8   10 o  246.890   12.976  768.408   79.723  597.561  142.148  846.808   96.293  213.980   27.218  258.817   14.963 -44.83638 31.05979 
1 1 1  -15   -8   11 o  270.809   12.472  921.942   84.340  1023.13  152.052  876.972  101.363  282.564   21.715  263.197   15.491 19.36749 26.67391 
1 1 1  -15   -8   12 o  298.154   13.695  1119.66  101.967  1086.71  181.318  1134.90  123.313  289.713   25.317  299.135   16.573 -9.421509 30.25863 
1 1 1  -15   -8   13 o  215.993   12.320  588.709   66.176  521.769  121.315  617.065   78.958  200.037   24.819  220.732   14.403 -20.69502 28.69576 
1 1 1  -15   -8   14 o  107.388   24.128  153.823   63.125   0.0000   0.0000  153.823   63.125  ?   ?   107.388   24.128 0.000000 24.12788 
1 1 1  -15   -8   15 f  254.746   12.968  819.594   82.225  815.524  150.346  821.331   98.214  250.584   24.333  254.391   15.535 -3.807816 28.86929 
1 1 1  -15   -8   16 o  374.173   15.691  1771.83  146.615  1791.31  260.466  1762.79  177.387  369.673   28.433  371.526   19.185 -1.852142 34.30045 
1 1 1  -15   -8   17 o  125.714   11.958  200.685   37.087  310.940   84.185  174.134   41.312  154.116   22.541  116.532   14.511 37.58399 26.80746 
1 1 1  -15   -8   18 o  189.799   12.135  455.468   57.215  452.461  112.476  456.518   66.455  185.554   24.902  189.599   14.138 -4.044785 28.63552 
1 1 1  -15   -8   19 o  259.378   15.965  856.013  102.907  879.624  157.944  838.596  135.651  259.659   24.654  254.786   21.522 4.872971 32.72639 
1 1 1  -15   -8   20 o  198.477   11.930  497.983   58.856  530.732  120.681  487.763   67.418  201.097   24.541  195.999   13.864 5.097351 28.18599 
1 1 1  -15   -8   21 o  192.611   12.260  469.613   58.665  553.463  124.883  445.870   66.453  205.104   24.893  187.190   14.325 17.91374 28.72006 
1 1 1  -15   -8   22 o  214.443   12.336  582.056   65.779  699.067  140.016  548.917   74.514  230.675   24.690  207.701   14.457 22.97421 28.61110 
1 1 1  -15   -8   23 o  161.831   12.750  332.887   51.107  348.528  119.536  329.388   56.535  159.189   31.186  160.623   14.242 -1.433899 34.28393 
1 1 1  -15   -8   24 o  173.630   23.558  399.336   99.505   0.0000   0.0000  399.336   99.505  ?   ?   173.630   23.558 0.000000 23.55766 
1 1 1  -15   -8   25 o  102.934   15.118  137.710   37.702  149.637  117.976  136.353   39.789  105.599   36.631  102.146   16.134 3.452385 40.02674 
1 1 1  -15   -8   26 o  138.936   36.364  284.111  127.634  284.111  127.634   0.0000   0.0000  138.936   36.364  ?   ?  0.000000 36.36404 
1 1 1  -15   -8   27 o   89.562   16.550  106.491   35.652  170.344  116.785   99.929   37.439  108.455   36.475   86.300   17.957 22.15509 40.65536 
1 1 1  -15   -8   28 o  104.800   15.587  144.665   39.551   81.485  120.706  152.264   41.862   87.851   35.521  107.389   16.107 -19.53745 39.00196 
1 1 1  -15   -8   29 o   75.684   16.681   77.542   30.678  294.532  130.442   64.837   31.563  135.634   37.334   68.915   18.106 66.71840 41.49249 
1 1 1  -15   -8   30 o  158.732   13.632  328.288   53.509  329.100  152.860  328.175   57.123  137.111   41.268  158.215   14.624 -21.10310 43.78233 
1 1 1  -15   -8   31 f  224.875   19.594  690.078  108.930  710.829  191.789  680.197  132.349  205.315   38.829  217.929   24.759 -12.61386 46.05137 
1 1 1  -15   -8   32 o  185.174   24.368  496.837  109.945   0.0000   0.0000  496.837  109.945  ?   ?   185.174   24.368 0.000000 24.36819 
1 1 1  -15   -8   33 o  111.511   28.248  195.998   78.748   0.0000   0.0000  195.998   78.748  ?   ?   111.511   28.248 0.000000 28.24754 
1 1 1  -15   -8   34 f  142.304   26.498  312.683   90.698   0.0000   0.0000  312.683   90.698  ?   ?   142.304   26.498 0.000000 26.49786 
1 1 1  -15   -8   35 o   69.385   26.673   69.369   65.028   0.0000   0.0000   69.369   65.028  ?   ?    69.385   26.673 0.000000 26.67328 
1 1 1  -15   -7    1 o  347.021   12.734  1509.18  110.349  1476.29  155.907  1542.20  156.208  342.065   18.318  349.710   17.948 -7.644989 25.64526 
1 1 1  -15   -7    2 o  489.857   16.252  3014.76  198.806  2993.82  281.087  3035.73  281.220  486.612   23.132  490.045   22.981 -3.433289 32.60644 
1 1 1  -15   -7    3 o  877.989   27.173  9798.76  595.776  9912.82  842.677  9684.78  842.433  875.255   38.555  864.768   39.011 10.48700 54.84794 
1 1 1  -15   -7    4 o  365.690   12.743  1676.67  116.370  1712.28  164.701  1641.18  164.442  368.814   17.883  360.551   18.324 8.262665 25.60425 
1 1 1  -15   -7    5 o  354.749   12.375  1577.79  109.630  1635.49  155.254  1520.41  154.827  360.480   17.247  347.006   17.929 13.47458 24.87744 
1 1 1  -15   -7    6 o  541.513   20.497  3705.27  277.168  3531.75  481.621  3791.19  338.915  520.420   37.307  546.237   24.846 -25.81659 44.82354 
1 1 1  -15   -7    7 o  160.783   10.323  325.150   41.230  460.986   79.616  275.372   48.196  190.587   16.904  147.532   13.222 43.05486 21.46097 
1 1 1  -15   -7    8 o  392.147   19.727  1949.32  192.560  1858.27  275.156  2036.72  269.572  379.451   29.264  398.181   27.275 -18.73053 40.00434 
1 1 1  -15   -7    9 f  400.867   15.642  2023.78  156.584  2169.17  274.465  1953.63  190.656  410.769   26.906  392.944   19.430 17.82538 33.18791 
1 1 1  -15   -7   10 o  124.275   12.078  195.707   37.009  153.420   72.006  210.888   43.144  107.322   26.916  128.804   13.620 -21.48175 30.16544 
1 1 1  -15   -7   11 o  364.401   15.539  1674.38  141.405  1486.96  247.874  1764.81  172.168  337.897   29.677  373.359   18.466 -35.46179 34.95314 
1 1 1  -15   -7   12 o  260.070   11.908  849.743   77.333  1013.68  140.650  778.708   92.584  281.766   20.122  248.071   15.016 33.69505 25.10720 
1 1 1  -15   -7   13 o  422.520   16.989  2258.89  179.248  2162.40  313.822  2305.61  218.374  406.057   31.187  425.567   20.549 -19.50946 37.34818 
1 1 1  -15   -7   14 o  239.743   12.807  725.394   76.397  608.069  138.682  776.512   91.539  215.651   26.297  247.619   14.873 -31.96768 30.21138 
1 1 1  -15   -7   15 o  329.175   25.678  1405.72  209.409   0.0000   0.0000  1405.72  209.409  ?   ?   329.175   25.678 0.000000 25.67830 
1 1 1  -15   -7   16 o  308.660   13.057  1200.24  100.639  1364.43  182.484  1128.48  120.644  325.500   22.590  298.134   16.266 27.36615 27.83715 
1 1 1  -15   -7   17 o  145.399   12.074  267.849   43.444  302.524   88.972  256.993   49.782  151.512   24.339  141.997   14.231 9.515213 28.19436 
1 1 1  -15   -7   18 o  105.757   13.755  143.426   35.466   68.761   79.287  162.102   39.654   80.309   29.759  112.390   14.465 -32.08064 33.08834 
1 1 1  -15   -7   19 o   98.807   14.148  125.716   33.912  149.799   83.318  120.935   37.126  105.359   30.144   96.486   15.967 8.873520 34.11166 
1 1 1  -15   -7   20 o  189.614   13.987  456.532   65.761  671.535  115.283  352.826   80.065  228.238   20.443  165.080   19.818 63.15804 28.47289 
1 1 1  -15   -7   21 o  344.710   14.810  1503.85  127.487  1534.61  232.568  1490.64  152.429  341.709   27.487  341.687   17.927 0.2166748E-01 32.81661 
1 1 1  -15   -7   22 o  119.088   14.115  181.776   41.160   73.575   98.342  204.754   45.320   85.709   32.836  126.372   14.632 -40.66308 35.94882 
1 1 1  -15   -7   23 o  201.948   12.751  516.873   63.974  539.511  135.174  510.339   72.622  201.087   27.651  200.195   14.628 0.8917542 31.28147 
1 1 1  -15   -7   24 o   69.146   17.919   63.372   31.192   37.357  100.974   66.117   32.797   78.177   32.154   70.595   18.412 7.581650 37.05273 
1 1 1  -15   -7   25 o  115.169   27.494  182.265   77.979   0.0000   0.0000  182.265   77.979  ?   ?   115.169   27.494 0.000000 27.49442 
1 1 1  -15   -7   26 o  184.001   13.110  431.533   59.842  429.320  139.065  432.035   66.294  174.606   33.106  183.669   14.574 -9.063736 36.17139 
1 1 1  -15   -7   27 o  174.121   12.745  387.151   55.030  547.040  139.643  357.755   59.876  198.978   28.953  166.789   14.521 32.18881 32.39010 
1 1 1  -15   -7   28 o  103.996   15.643  141.999   39.367  250.870  124.138  129.826   41.509  128.736   36.781   98.770   17.468 29.96655 40.71873 
1 1 1  -15   -7   29 o  110.813   17.219  163.317   46.103  295.681  133.228  145.310   49.138  137.307   37.704  103.444   19.743 33.86331 42.56006 
1 1 1  -15   -7   30 o  103.312   16.385  142.427   40.861 -11.6720  133.822  158.271   42.911   74.658   33.719  109.069   16.251 -34.41161 37.43099 
1 1 1  -15   -7   31 o  161.478   13.192  339.064   52.729  464.802  155.364  322.695   56.056  168.008   37.930  156.877   14.472 11.13109 40.59689 
1 1 1  -15   -7   32 o   63.107   18.580   54.961   31.250 -105.6684  140.923   63.268   32.048   64.585   30.891   67.426   18.483 -2.840515 35.99776 
1 1 1  -15   -7   33 o  221.290   25.020  713.394  135.830   0.0000   0.0000  713.394  135.830  ?   ?   221.290   25.020 0.000000 25.01951 
1 1 1  -15   -7   34 o  142.773   26.960  311.506   92.597   0.0000   0.0000  311.506   92.597  ?   ?   142.773   26.960 0.000000 26.95979 
1 1 1  -15   -7   35 o  299.030   29.943  1438.34  220.591   0.0000   0.0000  1438.34  220.591  ?   ?   299.030   29.943 0.000000 29.94320 
1 1 1  -15   -7   36 o   98.018   29.610  165.501   78.590   0.0000   0.0000  165.501   78.590  ?   ?    98.018   29.610 0.000000 29.61028 
1 1 1  -15   -6    1 o  529.817   17.319  3527.86  229.137  3635.31  324.152  3420.55  323.944  536.161   24.210  519.877   24.953 16.28351 34.76760 
1 1 1  -15   -6    2 o  564.078   18.066  4001.93  254.483  4097.47  360.061  3906.57  359.725  568.771   25.351  555.176   25.947 13.59534 36.27539 
1 1 1  -15   -6    3 o  224.619   10.328  631.520   57.929  649.626   82.062  613.536   81.786  227.083   14.548  220.604   14.934 6.478912 20.84866 
1 1 1  -15   -6    4 o  503.901   16.127  3190.28  202.926  3190.71  286.901  3189.85  287.061  502.353   22.870  502.281   22.886 0.7174683E-01 32.35484 
1 1 1  -15   -6    5 o  464.170   14.568  2704.61  168.860  2687.56  238.801  2721.66  238.808  461.443   20.724  464.393   20.593 -2.949554 29.21522 
1 1 1  -15   -6    6 o  656.892   20.608  5448.98  338.058  5546.61  478.254  5351.48  477.918  659.103   29.057  647.150   29.573 11.95319 41.45958 
1 1 1  -15   -6    7 o  403.777   13.907  2046.87  140.223  2162.34  198.846  1932.65  197.768  413.976   19.235  390.620   20.345 23.35565 27.99820 
1 1 1  -15   -6    8 o   94.657   15.084  115.393   34.458  115.281   60.356  115.447   41.970   93.601   25.243   94.069   18.526 -0.4678421 31.31200 
1 1 1  -15   -6    9 o  490.280   22.047  3049.35  269.928  3437.63  385.858  2677.24  377.743  516.283   30.059  453.598   33.587 62.68549 45.07353 
1 1 1  -15   -6   10 o  455.841   16.629  2619.95  189.290  3014.13  332.151  2430.34  230.359  484.102   27.590  437.749   21.073 46.35333 34.71715 
1 1 1  -15   -6   11 o  521.310   19.576  3443.00  254.842  3590.78  444.458  3370.63  311.052  523.728   34.171  513.824   24.242 9.903442 41.89690 
1 1 1  -15   -6   12 o  150.176   11.453  284.731   42.628  270.998   82.004  289.816   49.901  143.926   23.637  151.223   13.351 -7.297256 27.14699 
1 1 1  -15   -6   13 f  126.537   11.544  202.730   36.075  254.543   74.467  186.841   41.237  139.701   22.080  121.043   13.895 18.65788 26.08774 
1 1 1  -15   -6   14 o  462.619   17.925  2712.01  207.072  2771.89  362.600  2683.04  252.251  459.576   31.790  458.423   22.035 1.153259 38.68045 
1 1 1  -15   -6   15 o  375.178   27.864  1832.45  259.191   0.0000   0.0000  1832.45  259.191  ?   ?   375.178   27.864 0.000000 27.86408 
1 1 1  -15   -6   16 o  384.759   28.460  1933.10  271.512   0.0000   0.0000  1933.10  271.512  ?   ?   384.759   28.460 0.000000 28.46044 
1 1 1  -15   -6   17 o  312.305   13.337  1229.15  104.013  1330.15  187.638  1184.35  124.971  320.966   23.576  305.405   16.447 15.56125 28.74559 
1 1 1  -15   -6   18 o  152.957   12.666  296.619   47.943  187.652   94.368  334.527   55.661  117.418   31.522  162.267   13.869 -44.84864 34.43821 
1 1 1  -15   -6   19 o  371.937   15.556  1750.54  144.487  1749.54  257.602  1751.01  174.525  365.218   28.470  370.349   18.934 -5.131378 34.19151 
1 1 1  -15   -6   20 o  220.327   12.922  613.943   70.783  548.680  134.245  639.073   83.304  203.861   27.037  224.327   14.956 -20.46603 30.89835 
1 1 1  -15   -6   21 o  308.577   18.552  1217.22  142.294  973.110  209.947  1424.62  193.522  269.703   31.783  331.644   23.520 -61.94064 39.53893 
1 1 1  -15   -6   22 o  322.600   14.370  1315.98  115.761  1413.79  213.646  1275.34  137.730  328.666   26.250  316.159   17.513 12.50641 31.55600 
1 1 1  -15   -6   23 o  355.617   14.473  1600.46  128.527  1891.45  239.632  1482.94  152.284  380.621   25.357  340.638   17.966 39.98245 31.07637 
1 1 1  -15   -6   24 o  166.677   14.864  354.799   61.218   0.0000   0.0000  354.799   61.218  ?   ?   166.677   14.864 0.000000 14.86399 
1 1 1  -15   -6   25 o  201.121   29.248  546.143  142.589  546.143  142.589   0.0000   0.0000  201.121   29.248  ?   ?  0.000000 29.24776 
1 1 1  -15   -6   26 o  156.580   25.257  329.164   95.398   0.0000   0.0000  329.164   95.398  ?   ?   156.580   25.257 0.000000 25.25729 
1 1 1  -15   -6   27 o   60.742   18.419   48.021   30.368   19.432  109.339   50.410   31.611   76.321   32.548   62.152   18.780 14.16922 37.57737 
1 1 1  -15   -6   28 o  311.834   14.300  1242.06  111.351  1463.15  221.802  1167.56  128.752  327.965   27.331  300.370   17.237 27.59521 32.31284 
1 1 1  -15   -6   29 o  300.962   13.717  1159.05  103.091  1456.42  215.998  1071.32  117.315  325.650   26.799  287.435   16.412 38.21536 31.42535 
1 1 1  -15   -6   30 o  138.415   16.913  252.971   57.243  250.582  137.516  253.472   62.957  124.969   39.424  137.700   18.800 -12.73169 43.67751 
1 1 1  -15   -6   31 o  144.136   13.877  270.660   49.330  238.160  144.717  274.933   52.473  119.031   40.600  144.914   14.704 -25.88266 43.18085 
1 1 1  -15   -6   32 o   89.669   16.058  108.470   34.637  242.941  143.236  100.118   35.697  117.733   40.390   85.593   17.296 32.14010 43.93703 
1 1 1  -15   -6   33 o  239.605   13.564  749.715   80.825  1003.86  205.802  703.366   87.887  251.772   33.570  230.651   15.346 21.12074 36.91126 
1 1 1  -15   -6   34 o  152.720   26.790  349.856   98.444   0.0000   0.0000  349.856   98.444  ?   ?   152.720   26.790 0.000000 26.79028 
1 1 1  -15   -6   35 o  310.864   30.085  1524.76  230.625   0.0000   0.0000  1524.76  230.625  ?   ?   310.864   30.085 0.000000 30.08513 
1 1 1  -15   -6   36 o   79.149   27.328   98.498   65.624   0.0000   0.0000   98.498   65.624  ?   ?    79.149   27.328 0.000000 27.32775 
1 1 1  -15   -6   37 f   65.612   25.962   58.103   63.079   0.0000   0.0000   58.103   63.079  ?   ?    65.612   25.962 0.000000 25.96188 
1 1 1  -15   -5    1 o  540.084   17.580  3665.86  237.100  3707.37  335.299  3624.34  335.321  541.393   24.801  535.216   25.089 6.176941 35.27806 
1 1 1  -15   -5    2 o  154.475   9.5294  299.660   36.580  329.825   51.854  269.777   51.611  161.724   12.948  145.974   14.344 15.74957 19.32371 
1 1 1  -15   -5    3 o  213.189   9.4651  568.608   50.389  588.132   71.348  549.178   71.175  216.207   13.279  208.841   13.724 7.366241 19.09677 
1 1 1  -15   -5    4 o  756.662   23.313  7238.23  440.500  7349.81  623.099  7126.74  622.823  757.822   32.926  745.950   33.435 11.87244 46.92584 
1 1 1  -15   -5    5 o  298.267   11.715  1114.46   87.256  1183.93  123.635  1045.53  123.164  306.541   16.209  287.842   17.214 18.69809 23.64397 
1 1 1  -15   -5    6 o  249.085   10.680  776.910   66.433  824.054   94.241  730.343   93.663  255.769   14.819  240.604   15.674 15.16489 21.57030 
1 1 1  -15   -5    7 o  374.853   13.594  1763.17  127.247  1824.65  180.029  1701.79  179.879  380.447   18.950  366.760   19.713 13.68674 27.34357 
1 1 1  -15   -5    8 o  359.112   12.479  1617.40  111.904  1562.55  158.118  1672.44  158.395  351.664   18.066  364.405   17.406 -12.74127 25.08734 
1 1 1  -15   -5    9 o  224.643   14.697  636.953   81.990  589.764  120.751  677.319  111.681  214.445   22.903  230.749   19.566 -16.30428 30.12260 
1 1 1  -15   -5   10 o  178.161   10.875  399.349   48.152  527.692   91.087  349.573   56.726  203.695   18.096  166.237   13.789 37.45734 22.75074 
1 1 1  -15   -5   11 o  257.346   12.572  831.608   80.793  824.790  144.318  834.719   97.504  253.624   23.038  257.043   15.259 -3.419647 27.63282 
1 1 1  -15   -5   12 o  328.419   13.660  1356.45  112.029  1512.66  198.574  1283.52  135.684  343.740   23.271  318.371   17.130 25.36874 28.89538 
1 1 1  -15   -5   13 o  207.281   11.815  541.293   60.903  525.639  111.332  547.978   72.753  201.910   22.461  208.174   14.078 -6.264496 26.50838 
1 1 1  -15   -5   14 o  259.232   12.626  844.978   81.732  805.126  146.686  862.921   98.426  249.782   23.805  261.142   15.158 -11.36040 28.22145 
1 1 1  -15   -5   15 o  226.300   11.770  645.246   66.287  763.902  123.218  596.921   78.635  244.199   20.393  217.103   14.589 27.09625 25.07394 
1 1 1  -15   -5   16 o  186.618   21.537  450.056   98.522   0.0000   0.0000  450.056   98.522  ?   ?   186.618   21.537 0.000000 21.53651 
1 1 1  -15   -5   17 o  125.423   12.330  199.777   38.119  167.329   80.679  209.103   43.252  111.396   28.793  128.090   13.736 -16.69454 31.90202 
1 1 1  -15   -5   18 o  255.198   13.028  822.424   82.751  807.230  151.438  828.892   98.807  249.254   24.653  255.595   15.554 -6.340790 29.14988 
1 1 1  -15   -5   19 o  142.539   12.818  257.928   45.138  255.269   92.752  258.753   51.669  137.887   27.895  142.393   14.745 -4.506256 31.55218 
1 1 1  -15   -5   20 o  125.224   12.683  199.496   39.115  147.994   85.664  213.062   43.965  104.980   30.721  129.235   13.838 -24.25519 33.69372 
1 1 1  -15   -5   21 o  388.029   16.005  1907.32  155.084  1905.12  276.808  1908.33  187.228  380.440   29.364  386.348   19.469 -5.907837 35.23178 
1 1 1  -15   -5   22 o  326.881   18.240  1364.26  148.300  1328.59  221.106  1393.42  199.942  317.792   28.153  327.433   24.633 -9.640961 37.40861 
1 1 1  -15   -5   23 o  428.732   17.004  2335.94  182.051  2330.11  325.771  2338.58  219.529  418.502   31.401  427.242   20.576 -8.739807 37.54196 
1 1 1  -15   -5   24 o  189.305   12.412  453.793   58.349  521.250  128.853  436.393   65.443  198.262   26.705  185.207   14.260 13.05516 30.27379 
1 1 1  -15   -5   25 o  313.073   14.105  1240.74  110.273  1372.54  210.480  1190.87  129.462  322.944   26.329  305.315   17.048 17.62961 31.36634 
1 1 1  -15   -5   26 o  198.341   13.298  499.964   65.483  535.516  141.359  490.250   73.889  198.958   29.332  195.863   15.227 3.094986 33.04847 
1 1 1  -15   -5   27 o  132.620   26.993  240.549   86.356   0.0000   0.0000  240.549   86.356  ?   ?   132.620   26.993 0.000000 26.99339 
1 1 1  -15   -5   28 o  225.005   12.867  644.631   71.995  734.301  161.592  622.423   80.418  231.920   28.501  220.433   14.693 11.48705 32.06602 
1 1 1  -15   -5   29 o  172.350   12.655  379.784   54.085  608.972  145.383  342.970   58.267  209.696   28.502  163.152   14.451 46.54454 31.95607 
1 1 1  -15   -5   30 o  209.247   13.440  562.451   69.858  539.968  161.785  567.604   77.450  190.464   35.316  209.542   14.898 -19.07808 38.32969 
1 1 1  -15   -5   31 o  207.853   17.097  568.246   87.953  566.297  168.842  568.972  103.037  191.553   36.632  205.890   20.305 -14.33792 41.88333 
1 1 1  -15   -5   32 o  144.141   14.032  271.278   49.868  256.800  150.289  273.069   52.863  122.027   41.376  144.230   14.892 -22.20252 43.97393 
1 1 1  -15   -5   33 o  144.089   14.554  273.318   51.649  199.876  161.023  281.741   54.531  107.664   41.810  145.988   15.180 -38.32414 44.48061 
1 1 1  -15   -5   34 o  100.828   15.629  136.833   38.077  197.503  161.545  133.264   39.181  105.129   41.563   99.130   16.401 5.999298 44.68228 
1 1 1  -15   -5   35 o  237.095   25.302  824.281  147.492   0.0000   0.0000  824.281  147.492  ?   ?   237.095   25.302 0.000000 25.30214 
1 1 1  -15   -5   36 o  195.735   24.733  568.625  118.193   0.0000   0.0000  568.625  118.193  ?   ?   195.735   24.733 0.000000 24.73305 
1 1 1  -15   -5   37 o   85.678   27.807  119.509   68.046   0.0000   0.0000  119.509   68.046  ?   ?    85.678   27.807 0.000000 27.80723 
1 1 1  -15   -4    1 o  343.722   12.171  1479.68  104.470  1502.38  147.604  1456.90  147.882  345.833   17.092  340.072   17.473 5.760590 24.44221 
1 1 1  -15   -4    2 o  416.347   14.203  2173.58  147.670  2251.25  208.918  2096.03  208.756  422.880   19.784  407.398   20.586 15.48157 28.55156 
1 1 1  -15   -4    3 o  254.834   10.286  812.690   65.456  818.226   92.340  807.100   92.798  254.999   14.561  253.229   14.739 1.769821 20.71868 
1 1 1  -15   -4    4 o  486.603   16.139  2973.61  196.116  2998.42  277.361  2948.80  277.338  487.233   22.796  483.138   22.987 4.095032 32.37390 
1 1 1  -15   -4    5 o  727.344   22.590  6683.53  410.296  6835.35  580.473  6531.96  580.019  731.384   31.782  714.593   32.504 16.79083 45.45996 
1 1 1  -15   -4    6 o  606.025   19.120  4626.42  289.353  4620.36  409.146  4632.49  409.267  602.925   27.175  603.727   27.147 -0.8021240 38.41095 
1 1 1  -15   -4    7 o  254.266   10.863  809.676   68.972  872.806   97.882  747.417   97.204  263.220   14.953  243.337   16.087 19.88379 21.96340 
1 1 1  -15   -4    8 o  283.411   11.117  1006.28   78.682  1002.86  111.255  1009.70  111.291  282.001   15.863  282.974   15.813 -0.9732361 22.39804 
1 1 1  -15   -4    9 o  222.987   14.802  627.518   81.955  551.961  120.398  692.755  111.874  207.279   23.685  233.494   19.361 -26.21536 30.59195 
1 1 1  -15   -4   10 o  317.824   17.424  1277.01  137.762  1151.04  198.125  1394.91  191.686  299.137   26.807  330.627   23.367 -31.48978 35.56184 
1 1 1  -15   -4   11 o  315.241   13.719  1248.75  107.994  1307.44  190.638  1221.02  131.050  319.610   24.062  310.752   16.952 8.857819 29.43395 
1 1 1  -15   -4   12 o  268.426   12.350  904.671   82.785  1006.26  148.846  859.170   99.614  280.767   21.390  260.750   15.366 20.01633 26.33775 
1 1 1  -15   -4   13 o  248.466   12.173  775.331   75.530  842.114  136.291  745.730   90.739  256.530   21.473  242.854   15.036 13.67598 26.21395 
1 1 1  -15   -4   14 o  395.514   15.564  1973.11  153.720  2124.93  270.623  1900.79  186.777  405.608   26.870  387.142   19.320 18.46591 33.09494 
1 1 1  -15   -4   15 o  106.679   13.021  145.243   33.968  108.146   70.477  156.469   38.767   91.301   28.132  110.533   14.386 -19.23190 31.59680 
1 1 1  -15   -4   16 o  542.231   20.493  3742.93  277.484  3818.33  484.372  3706.09  338.542  535.667   36.427  536.891   25.251 -1.224243 44.32291 
1 1 1  -15   -4   17 o   98.485   25.361  129.518   62.747   0.0000   0.0000  129.518   62.747  ?   ?    98.485   25.361 0.000000 25.36057 
1 1 1  -15   -4   18 f  282.000   12.447  1000.66   87.653  1250.45  161.858  897.011  104.265  312.411   20.867  265.926   15.771 46.48483 26.15677 
1 1 1  -15   -4   19 o  141.611   12.207  254.150   42.745  211.182   87.937  267.444   48.912  125.057   28.759  145.029   13.667 -19.97167 31.84110 
1 1 1  -15   -4   20 o  179.734   11.242  407.622   50.205  580.747  103.348  354.148   57.437  212.626   19.687  166.997   13.899 45.62956 24.09958 
1 1 1  -15   -4   21 o  415.630   16.433  2188.83  170.555  2261.88  303.880  2155.24  206.073  414.933   29.520  410.954   20.081 3.979431 35.70237 
1 1 1  -15   -4   22 o  424.595   17.631  2290.56  186.942  1966.75  328.876  2445.13  227.220  382.745   34.789  437.204   20.812 -54.45856 40.53891 
1 1 1  -15   -4   23 o  436.860   30.965  2527.66  335.610   0.0000   0.0000  2527.66  335.610  ?   ?   436.860   30.965 0.000000 30.96455 
1 1 1  -15   -4   24 o   95.779   32.869  115.122   94.868  115.122   94.868   0.0000   0.0000   95.779   32.869  ?   ?  0.000000 32.86945 
1 1 1  -15   -4   25 o  350.590   14.869  1556.87  130.174  1627.04  241.292  1528.06  154.603  351.336   27.728  345.765   17.967 5.570435 33.04012 
1 1 1  -15   -4   26 o   68.633   17.646   62.361   30.411  271.690  103.347   42.517   31.820  140.634   30.320   58.468   19.017 82.16574 35.79063 
1 1 1  -15   -4   27 o  120.981   14.710  188.451   43.527   46.666  113.175  213.064   47.154   83.044   34.085  128.681   14.953 -45.63618 37.22113 
1 1 1  -15   -4   28 o  223.033   24.038  659.831  131.764   0.0000   0.0000  659.831  131.764  ?   ?   223.033   24.038 0.000000 24.03780 
1 1 1  -15   -4   29 o  111.637   15.486  162.335   42.010  234.441  123.707  152.936   44.664  126.158   36.917  107.799   17.168 18.35889 40.71370 
1 1 1  -15   -4   30 o  371.605   15.837  1777.81  146.958  1945.26  281.768  1715.24  172.241  372.926   30.524  362.088   19.117 10.83807 36.01605 
1 1 1  -15   -4   31 o  140.531   14.354  256.353   49.666  247.627  142.737  257.556   52.976  124.754   40.252  140.486   15.350 -15.73238 43.08007 
1 1 1  -15   -4   32 o  164.076   16.614  354.982   67.133  451.052  156.270  333.239   74.343  168.252   38.081  157.492   19.307 10.75932 42.69582 
1 1 1  -15   -4   33 o  162.061   13.935  342.585   55.845  205.798  159.401  361.723   59.624  110.483   41.929  166.262   14.506 -55.77962 44.36757 
1 1 1  -15   -4   34 o   91.299   16.305  112.872   35.811  138.020  146.904  111.283   36.925   96.095   39.067   90.354   16.989 5.740997 42.60123 
1 1 1  -15   -4   35 o   61.222   17.621   51.699   28.394  296.383  157.042   43.429   28.870  124.267   42.294   56.801   18.079 67.46683 45.99632 
1 1 1  -15   -4   36 o  134.770   26.562  274.880   86.214   0.0000   0.0000  274.880   86.214  ?   ?   134.770   26.562 0.000000 26.56186 
1 1 1  -15   -4   37 o   62.530   25.366   42.257   61.776   0.0000   0.0000   42.257   61.776  ?   ?    62.530   25.366 0.000000 25.36611 
1 1 1  -15   -4   38 o   95.991   28.601  154.094   73.699   0.0000   0.0000  154.094   73.699  ?   ?    95.991   28.601 0.000000 28.60147 
1 1 1  -15   -3    1 o  321.237   11.923  1292.24   95.648  1297.50  135.087  1286.96  135.445  320.978   16.913  319.649   17.030 1.328949 24.00141 
1 1 1  -15   -3    2 o  189.686   9.8268  451.360   46.388  475.470   65.167  426.595   66.046  194.308   13.514  183.874   14.502 10.43439 19.82272 
1 1 1  -15   -3    3 o  207.342   9.9604  537.907   51.572  546.791   72.662  528.888   73.210  208.364   14.047  204.864   14.402 3.500778 20.11783 
1 1 1  -15   -3    4 o  288.797   10.800  1044.03   77.886  1042.70  109.924  1045.36  110.373  287.839   15.348  288.200   15.392 -0.3617554 21.73674 
1 1 1  -15   -3    5 o  200.979   9.8953  505.455   49.663  503.786   70.162  507.131   70.306  199.924   14.145  200.592   14.126 -0.6687927 19.99036 
1 1 1  -15   -3    6 o  746.217   23.036  7039.69  429.260  7090.68  606.953  6988.67  607.177  744.284   32.656  738.768   32.912 5.516235 46.36420 
1 1 1  -15   -3    7 o  281.725   11.157  994.052   78.489  1099.07  111.361  890.379  110.644  295.469   15.144  265.598   16.768 29.87112 22.59435 
1 1 1  -15   -3    8 o  209.543   9.1859  549.448   48.067  543.618   68.107  555.234   67.846  207.771   13.195  210.013   13.001 -2.242203 18.52388 
1 1 1  -15   -3    9 o  148.343   9.4006  276.538   34.643  291.508   48.898  261.450   49.089  151.887   13.018  143.664   13.855 8.222687 19.01110 
1 1 1  -15   -3   10 f  318.288   17.320  1280.02  137.149  1179.55  197.105  1374.32  190.957  303.151   26.297  328.264   23.449 -25.11346 35.23380 
1 1 1  -15   -3   11 o  156.443   9.6199  307.653   37.400  343.966   53.115  271.947   52.669  165.022   12.994  146.363   14.605 18.65840 19.54922 
1 1 1  -15   -3   12 o  333.355   14.085  1397.14  117.255  1487.16  206.680  1354.42  142.387  340.750   24.452  327.157   17.492 13.59354 30.06416 
1 1 1  -15   -3   13 o  249.887   11.546  783.579   72.051  936.027  130.984  717.437   86.277  271.203   19.470  238.322   14.567 32.88054 24.31655 
1 1 1  -15   -3   14 o  251.770   12.417  796.383   78.070  851.682  140.878  771.874   93.789  257.756   22.101  247.015   15.280 10.74062 26.86828 
1 1 1  -15   -3   15 o   69.481   16.067   63.350   27.322   51.615   61.044   66.290   30.553   70.757   26.134   71.013   17.372 -0.2557373 31.38088 
1 1 1  -15   -3   16 o  124.688   12.599  197.455   38.691  167.000   78.394  207.263   44.487  111.559   28.143  127.493   14.215 -15.93396 31.52897 
1 1 1  -15   -3   17 o  390.824   16.157  1930.48  157.683  1890.30  279.524  1949.24  190.969  380.316   29.667  391.629   19.527 -11.31238 35.51661 
1 1 1  -15   -3   18 o  221.597   22.181  633.557  121.092   0.0000   0.0000  633.557  121.092  ?   ?   221.597   22.181 0.000000 22.18058 
1 1 1  -15   -3   19 o  293.622   12.174  1084.48   89.263  1328.05  164.477  982.787  106.275  322.120   20.555  278.506   15.340 43.61435 25.64772 
1 1 1  -15   -3   20 o  192.111   12.373  466.341   59.042  487.794  114.361  458.545   68.941  193.378   24.213  190.041   14.640 3.336716 28.29472 
1 1 1  -15   -3   21 o  193.561   12.209  473.322   58.710  429.195  115.943  488.538   68.083  180.362   26.535  196.309   13.980 -15.94629 29.99261 
1 1 1  -15   -3   22 o  181.034   13.020  415.065   58.466  324.731  117.022  445.115   67.493  154.713   31.363  187.185   14.553 -32.47211 34.57519 
1 1 1  -15   -3   23 o  200.163   16.154  510.776   80.055  385.956  128.977  589.002  102.105  168.705   31.781  214.134   19.302 -45.42926 37.18314 
1 1 1  -15   -3   24 o  123.183   13.997  194.030   42.292  277.271  102.522  176.961   46.426  142.989   29.683  117.058   16.326 25.93079 33.87706 
1 1 1  -15   -3   25 o  191.437   13.024  464.474   61.891  358.986  127.290  497.133   70.827  161.831   32.625  197.754   14.442 -35.92279 35.67830 
1 1 1  -15   -3   26 o  232.926   12.405  686.227   71.895  963.325  151.193  605.262   81.727  272.416   22.425  218.025   15.104 54.39073 27.03683 
1 1 1  -15   -3   27 o  143.670   14.431  264.142   51.073  304.839  123.348  255.721   56.109  147.489   34.162  140.880   16.247 6.608063 37.82827 
1 1 1  -15   -3   28 o  243.986   13.582  756.815   82.425  791.645  173.039  746.594   93.743  242.045   29.220  241.635   15.619 0.4097443 33.13220 
1 1 1  -15   -3   29 o  167.058   25.352  376.554  102.440   0.0000   0.0000  376.554  102.440  ?   ?   167.058   25.352 0.000000 25.35188 
1 1 1  -15   -3   30 o  219.522   12.484  614.073   68.155  775.174  159.295  577.974   75.405  238.283   27.261  212.281   14.308 26.00217 30.78797 
1 1 1  -15   -3   31 o  212.931   12.708  580.042   67.262  785.722  165.654  539.437   73.603  237.337   28.521  204.574   14.502 32.76315 31.99623 
1 1 1  -15   -3   32 o  107.274   14.691  150.911   38.321  155.408  130.439  150.486   40.090  103.295   38.192  106.848   15.476 -3.552147 41.20790 
1 1 1  -15   -3   33 o  173.617   17.213  399.512   73.643  347.629  157.900  413.935   83.253  142.619   41.701  175.465   19.320 -32.84663 45.95899 
1 1 1  -15   -3   34 o  182.663   13.436  433.906   60.858  392.415  168.057  440.168   65.289  147.771   42.968  183.466   14.365 -35.69409 45.30569 
1 1 1  -15   -3   35 o  144.895   13.782  275.420   49.268  522.996  175.242  254.172   51.338  172.156   41.294  138.492   15.089 33.66380 43.96420 
1 1 1  -15   -3   36 o  103.690   15.899  145.257   39.854  148.321  167.782  145.074   41.029   96.526   40.703  103.360   16.447 -6.833511 43.90041 
1 1 1  -15   -3   37 o   88.301   28.303  122.608   70.659   0.0000   0.0000  122.608   70.659  ?   ?    88.301   28.303 0.000000 28.30318 
1 1 1  -15   -3   38 f   63.239   25.811   43.639   64.441   0.0000   0.0000   43.639   64.441  ?   ?    63.239   25.811 0.000000 25.81079 
1 1 1  -15   -2    1 o  265.999   10.606  885.503   70.451  831.278   99.038  941.050  100.238  256.924   15.509  273.528   14.729 -16.60355 21.38886 
1 1 1  -15   -2    2 o  478.840   15.820  2877.79  189.173  2789.03  267.030  2967.23  268.035  470.098   22.747  485.022   22.130 -14.92404 31.73568 
1 1 1  -15   -2    3 o  227.580   10.186  648.096   57.886  666.207   81.519  629.675   82.212  230.061   14.260  223.567   14.810 6.493652 20.55875 
1 1 1  -15   -2    4 f  409.168   13.872  2099.08  141.734  2124.77  200.385  2073.35  200.501  410.828   19.532  405.784   19.787 5.044617 27.80325 
1 1 1  -15   -2    5 o  102.803   10.052  133.510   25.475  120.781   35.281  147.374   36.821   96.982   15.056  107.506   14.052 -10.52380 20.59486 
1 1 1  -15   -2    6 f  181.466   9.8107  413.275   44.293  394.113   62.167  433.031   63.123  176.689   14.210  185.323   13.738 -8.634003 19.76461 
1 1 1  -15   -2    7 o  412.651   14.137  2136.43  145.682  2195.75  206.122  2077.22  205.929  417.378   19.776  405.336   20.410 12.04218 28.41956 
1 1 1  -15   -2    8 o  191.299   8.9435  457.863   42.724  418.331   60.191  498.003   60.652  182.148   13.326  198.956   12.268 -16.80829 18.11263 
1 1 1  -15   -2    9 o  138.159   9.5009  240.038   32.580  278.956   46.228  201.632   45.923  148.628   12.573  125.835   14.904 22.79327 19.49915 
1 1 1  -15   -2   10 o  193.205   14.314  471.382   68.568  407.895  102.311  523.149   92.386  177.826   23.624  202.881   18.437 -25.05490 29.96695 
1 1 1  -15   -2   11 o  299.264   16.483  1131.06  122.707  1120.46  177.482  1140.77  169.838  295.923   24.230  298.983   22.922 -3.060059 33.35432 
1 1 1  -15   -2   12 o  404.733   13.799  2058.41  139.464  2065.05  197.237  2051.78  197.227  404.091   19.546  402.774   19.609 1.317413 27.68677 
1 1 1  -15   -2   13 o  302.115   11.383  1144.98   85.880  1130.56  121.488  1159.39  121.418  299.036   16.331  302.885   16.111 -3.849091 22.94022 
1 1 1  -15   -2   14 o  271.390   12.670  925.352   85.867  970.736  153.999  904.877  103.439  275.242   22.605  267.513   15.551 7.729126 27.43781 
1 1 1  -15   -2   15 o  100.035   13.102  127.933   31.943  190.518   67.977  110.197   36.187  120.208   23.487   92.110   16.330 28.09811 28.60649 
1 1 1  -15   -2   16 o  209.578   11.341  553.078   59.132  665.632  111.438  508.967   69.763  228.148   19.755  200.565   14.017 27.58299 24.22256 
1 1 1  -15   -2   17 o  272.834   13.106  936.690   89.292  902.231  160.978  952.004  107.314  264.119   24.694  274.150   15.741 -10.03076 29.28429 
1 1 1  -15   -2   18 o  155.751   22.544  316.055   85.133   0.0000   0.0000  316.055   85.133  ?   ?   155.751   22.544 0.000000 22.54435 
1 1 1  -15   -2   19 o  187.422   11.622  443.146   54.127  518.570  105.955  416.512   62.963  200.476   21.500  181.248   14.020 19.22743 25.66750 
1 1 1  -15   -2   20 o  321.150   14.015  1300.50  112.394  1332.77  201.793  1285.99  135.328  320.636   25.411  318.156   17.096 2.480469 30.62624 
1 1 1  -15   -2   21 o  192.135   12.735  466.774   60.754  384.079  117.116  497.221   71.063  169.787   28.642  197.975   14.475 -28.18752 32.09134 
1 1 1  -15   -2   22 o  279.227   15.394  988.593  106.928   0.0000   0.0000  988.593  106.928  ?   ?   279.227   15.394 0.000000 15.39443 
1 1 1  -15   -2   23 o  471.602   22.451  2853.50  264.400  3000.34  382.782  2719.50  365.643  475.815   32.408  452.794   32.555 23.02097 45.93595 
1 1 1  -15   -2   24 o  208.052   16.213  551.693   83.568  424.646  134.670  631.248  106.567  177.220   31.588  221.683   19.447 -44.46288 37.09464 
1 1 1  -15   -2   25 o  274.892   14.011  956.918   95.860  828.177  180.031  1007.86  113.249  249.734   29.433  281.483   16.179 -31.74892 33.58717 
1 1 1  -15   -2   26 o   60.400   18.253   46.912   29.861   19.404   94.525   49.961   31.473   73.094   30.672   62.242   18.724 10.85180 35.93540 
1 1 1  -15   -2   27 o  117.965   14.559  178.811   41.977  210.062  111.242  173.622   45.328  122.807   34.726  115.850   16.104 6.956932 38.27782 
1 1 1  -15   -2   28 o  239.278   14.417  728.706   85.742  431.174  168.535  832.607   99.594  172.777   39.872  255.388   15.692 -82.61047 42.84892 
1 1 1  -15   -2   29 o  216.991   24.279  624.605  129.305   0.0000   0.0000  624.605  129.305  ?   ?   216.991   24.279 0.000000 24.27901 
1 1 1  -15   -2   30 o   92.784   16.355  113.416   36.509  237.932  124.678  101.738   38.183  127.306   37.007   87.318   18.105 39.98830 41.19856 
1 1 1  -15   -2   31 o  224.331   13.626  644.495   75.973  682.580  168.837  634.825   85.072  219.539   31.716  221.845   15.453 -2.306610 35.28057 
1 1 1  -15   -2   32 o  167.046   13.082  358.785   54.137  620.299  149.920  319.572   58.054  209.177   29.522  156.878   15.002 52.29906 33.11463 
1 1 1  -15   -2   33 o   61.135   17.763   50.247   28.730  104.920  128.002   47.347   29.482   92.211   36.825   59.636   18.163 32.57484 41.06096 
1 1 1  -15   -2   34 o   78.659   19.100   85.543   37.143   34.125  137.130   89.614   38.585   80.793   35.439   80.428   19.429 0.3651810 40.41558 
1 1 1  -15   -2   35 o  147.770   13.896  285.829   50.677  230.583  161.089  291.897   53.387  113.789   42.368  149.027   14.531 -35.23750 44.79075 
1 1 1  -15   -2   36 o   61.182   17.719   51.437   28.629  125.956  157.164   48.879   29.117   94.027   39.508   59.815   18.013 34.21218 43.42053 
1 1 1  -15   -2   37 o   99.483   15.815  134.061   37.975  361.743  177.569  123.148   38.874  132.029   44.973   94.677   17.070 37.35236 48.10408 
1 1 1  -15   -2   38 o  128.285   27.946  257.496   86.991   0.0000   0.0000  257.496   86.991  ?   ?   128.285   27.946 0.000000 27.94563 
1 1 1  -15   -2   39 o   47.957   22.166 -26.5736   62.363   0.0000   0.0000 -26.5736   62.363  ?   ?    47.957   22.166 0.000000 22.16557 
1 1 1  -15   -1    1 o  354.451   12.577  1573.90  111.324  1515.45  156.801  1633.30  158.079  346.717   18.173  360.510   17.559 -13.79303 25.27057 
1 1 1  -15   -1    2 o  346.116   12.020  1500.32  103.891  1463.52  146.468  1537.59  147.385  340.866   17.263  349.873   16.869 -9.007721 24.13701 
1 1 1  -15   -1    3 o  327.423   12.280  1342.86  100.402  1339.64  141.638  1346.13  142.344  326.039   17.460  326.822   17.505 -0.7830505 24.72372 
1 1 1  -15   -1    4 o  473.897   15.295  2818.31  180.999  2836.72  255.779  2799.85  256.164  474.253   21.598  471.122   21.774 3.130737 30.66842 
1 1 1  -15   -1    5 o  272.113   10.609  926.846   72.088  906.573  101.493  947.485  102.407  268.344   15.208  274.381   15.003 -6.036987 21.36313 
1 1 1  -15   -1    6 o  274.320   10.419  941.929   71.373  958.222  100.728  925.501  101.147  275.960   14.669  271.147   14.996 4.812897 20.97826 
1 1 1  -15   -1    7 o  299.213   10.929  1121.05   81.658  1126.28  115.285  1115.79  115.680  299.085   15.489  297.665   15.617 1.420197 21.99536 
1 1 1  -15   -1    8 o  119.350   10.095  179.576   29.804  199.638   41.596  158.411   42.725  125.446   13.490  111.193   15.834 14.25359 20.80190 
1 1 1  -15   -1    9 o  356.724   12.210  1595.17  108.767  1634.45  153.747  1555.81  153.893  360.407   17.083  351.558   17.530 8.849335 24.47673 
1 1 1  -15   -1   10 o  300.636   15.831  1139.62  118.434  1290.61  172.280  1004.33  163.080  318.649   21.781  280.484   23.500 38.16495 32.04150 
1 1 1  -15   -1   11 o  377.560   18.396  1798.23  173.447  1960.83  249.159  1645.34  241.597  391.607   25.620  358.027   27.227 33.58026 37.38523 
1 1 1  -15   -1   12 o  217.872   9.9070  594.586   53.901  589.251   76.175  599.935   76.280  216.072   14.197  218.049   14.084 -1.976563 19.99774 
1 1 1  -15   -1   13 o  228.483   10.345  654.269   59.025  669.482   83.453  639.040   83.496  230.247   14.590  224.866   14.955 5.381104 20.89260 
1 1 1  -15   -1   14 o  211.413   9.2701  559.869   48.940  561.536   69.131  558.195   69.294  210.976   13.188  210.334   13.261 0.6423187 18.70192 
1 1 1  -15   -1   15 o  120.999   11.665  185.475   34.809  270.772   71.324  158.807   39.882  144.736   20.291  111.357   14.701 33.37895 25.05714 
1 1 1  -15   -1   16 o  321.656   13.533  1301.85  108.698  1504.88  194.213  1209.25  131.167  342.698   22.825  308.849   17.073 33.84863 28.50384 
1 1 1  -15   -1   17 o  325.214   14.631  1333.09  118.819  1220.16  209.937  1386.31  144.124  306.301   27.748  330.525   17.524 -24.22412 32.81826 
1 1 1  -15   -1   18 o  290.363   13.669  1061.74   99.116  1035.78  177.820  1073.44  119.381  282.797   25.453  290.944   16.499 -8.146393 30.33254 
1 1 1  -15   -1   19 o  137.565   23.926  249.141   79.208   0.0000   0.0000  249.141   79.208  ?   ?   137.565   23.926 0.000000 23.92628 
1 1 1  -15   -1   20 f  415.204   16.942  2182.83  175.658  2104.21  309.550  2220.17  213.333  400.010   31.237  417.410   20.467 -17.40027 37.34468 
1 1 1  -15   -1   21 o  180.480   12.962  412.205   58.030  273.091  111.462  463.933   67.968  141.638   32.238  191.251   14.336 -49.61328 35.28148 
1 1 1  -15   -1   22 o  371.240   28.906  1804.22  265.867  1804.22  265.867   0.0000   0.0000  371.240   28.906  ?   ?  0.000000 28.90649 
1 1 1  -15   -1   23 o  209.508   13.336  555.393   69.409  474.188  132.971  585.806   81.375  188.771   29.147  214.757   15.273 -25.98595 32.90605 
1 1 1  -15   -1   24 o  148.924   13.411  281.848   49.339  256.254  105.847  288.954   55.769  137.035   31.580  150.471   15.043 -13.43594 34.97971 
1 1 1  -15   -1   25 o  338.067   18.193  1458.06  153.021  1522.60  229.502  1406.42  205.320  341.111   27.168  328.821   25.196 12.28964 37.05338 
1 1 1  -15   -1   26 o  243.679   13.094  751.165   79.387  882.703  157.344  706.245   91.948  260.190   24.505  235.579   15.720 24.61052 29.11399 
1 1 1  -15   -1   27 o  104.655   15.630  141.814   39.597  106.289  107.295  147.415   42.605   95.309   34.734  106.527   16.553 -11.21746 38.47629 
1 1 1  -15   -1   28 o  469.288   18.523  2817.14  217.071  2848.97  389.451  2802.80  261.449  457.853   34.312  465.457   22.494 -7.604401 41.02771 
1 1 1  -15   -1   29 o  167.561   12.763  357.152   53.003  528.530  134.658  325.732   57.657  197.983   28.019  159.505   14.639 38.47707 31.61261 
1 1 1  -15   -1   30 o  150.143   25.680  305.642   92.822   0.0000   0.0000  305.642   92.822  ?   ?   150.143   25.680 0.000000 25.67969 
1 1 1  -15   -1   31 o  262.820   13.848  882.868   90.563  893.706  189.424  879.656  103.111  253.644   30.519  261.400   15.871 -7.756180 34.39886 
1 1 1  -15   -1   32 o  211.774   13.048  574.229   68.666  779.308  165.824  531.788   75.437  236.491   28.665  202.962   14.990 33.52911 32.34764 
1 1 1  -15   -1   33 o  118.760   14.846  184.442   43.067  241.084  139.838  178.507   45.267  122.955   39.859  116.393   15.997 6.562454 42.94968 
1 1 1  -15   -1   34 o  113.600   15.047  169.981   41.635  266.064  145.681  161.435   43.447  126.083   40.664  110.185   16.281 15.89806 43.80186 
1 1 1  -15   -1   35 o  171.611   16.585  390.455   70.187  532.048  168.067  360.545   77.245  180.271   38.504  163.185   19.331 17.08580 43.08433 
1 1 1  -15   -1   36 o  176.792   13.116  406.673   57.491  431.734  175.119  403.646   60.864  153.057   43.671  175.645   13.993 -22.58791 45.85762 
1 1 1  -15   -1   37 o  166.446   13.267  362.398   54.684  442.441  185.361  354.768   57.232  149.242   45.562  164.200   14.094 -14.95753 47.69220 
1 1 1  -15   -1   38 o   50.343   17.597   31.899   27.249 -151.1520  168.288   36.828   27.614   65.787   32.018   52.941   17.737 12.84598 36.60242 
1 1 1  -15   -1   39 o   58.063   25.242   15.557   68.229   0.0000   0.0000   15.557   68.229  ?   ?    58.063   25.242 0.000000 25.24244 
1 1 1  -15    0    1 o  562.813   18.162  3983.40  255.260  4034.58  360.809  3932.11  361.175  564.437   25.598  557.111   25.961 7.325378 36.45900 
1 1 1  -15    0    2 o  285.198   11.382  1018.43   81.063  1037.18  114.203  999.399  115.083  286.980   16.000  281.622   16.436 5.358093 22.93719 
1 1 1  -15    0    3 o  282.962   10.773  1002.24   76.126  964.574  107.084  1040.72  108.243  276.785   15.556  287.600   15.125 -10.81479 21.69660 
1 1 1  -15    0    4 o  321.460   11.745  1294.18   94.280  1290.49  132.793  1297.93  133.878  320.083   16.671  320.992   16.760 -0.9088745 23.63956 
1 1 1  -15    0    5 o  573.958   18.261  4144.08  261.729  4061.88  369.702  4226.67  370.582  566.024   26.156  577.545   25.695 -11.52081 36.66542 
1 1 1  -15    0    6 o  346.875   11.655  1507.07  100.959  1511.04  142.574  1503.07  142.981  346.791   16.464  345.863   16.555 0.9278870 23.34755 
1 1 1  -15    0    7 o  514.734   16.955  3331.04  217.932  3464.23  308.230  3197.89  308.175  523.244   23.590  502.448   24.562 20.79584 34.05488 
1 1 1  -15    0    8 o  141.468   9.6526  251.626   33.896  294.309   47.821  208.529   48.053  152.704   12.655  127.955   15.345 24.74931 19.88982 
1 1 1  -15    0    9 o  265.223   10.816  881.018   71.638  930.478  101.181  831.301  101.444  271.778   14.966  256.689   15.904 15.08942 21.83876 
1 1 1  -15    0   10 o  368.587   18.297  1712.24  168.414  1802.43  241.588  1626.97  234.900  375.573   25.918  356.529   26.575 19.04468 37.12066 
1 1 1  -15    0   11 o  377.910   18.083  1800.66  170.649  2046.77  245.531  1570.69  237.346  400.525   24.669  349.770   27.393 50.75482 36.86309 
1 1 1  -15    0   12 o  185.298   9.8672  431.256   45.493  503.748   64.565  359.779   64.112  199.903   13.005  168.420   15.415 31.48363 20.16766 
1 1 1  -15    0   13 o  332.018   12.387  1383.66  102.703  1388.26  145.196  1379.06  145.294  331.229   17.617  330.110   17.690 1.119263 24.96583 
1 1 1  -15    0   14 o  338.350   11.007  1435.76   93.004  1397.45  131.327  1474.32  131.728  333.024   15.792  342.134   15.418 -9.109497 22.07022 
1 1 1  -15    0   15 o  282.513   11.392  1001.61   80.371  1017.00  113.628  986.202  113.696  283.515   16.116  279.114   16.384 4.401611 22.98169 
1 1 1  -15    0   16 o  286.531   11.173  1030.39   79.943  1017.65  113.263  1043.04  112.851  283.538   16.062  287.127   15.800 -3.588440 22.53086 
1 1 1  -15    0   17 o  296.711   13.931  1108.47  103.217  1067.10  183.283  1127.69  124.907  287.159   25.836  298.242   16.840 -11.08289 30.83969 
1 1 1  -15    0   18 o  312.844   13.787  1232.47  107.706  1294.49  192.603  1204.24  129.920  316.854   24.533  308.127   16.950 8.727386 29.81894 
1 1 1  -15    0   19 o  218.964   22.499  618.681  121.271   0.0000   0.0000  618.681  121.271  ?   ?   218.964   22.499 0.000000 22.49851 
1 1 1  -15    0   20 o  211.799   22.510  579.648  117.233   0.0000   0.0000  579.648  117.233  ?   ?   211.799   22.510 0.000000 22.51047 
1 1 1  -15    0   21 o  415.984   20.731  2206.38  215.352   0.0000   0.0000  2206.38  215.352  ?   ?   415.984   20.731 0.000000 20.73105 
1 1 1  -15    0   22 o  179.652   12.223  407.853   54.510  430.111  109.621  400.542   62.829  181.270   24.873  177.640   14.284 3.630554 28.68239 
1 1 1  -15    0   23 o  273.505   14.029  945.916   95.494  863.484  175.490  980.593  113.821  256.561   27.838  277.828   16.479 -21.26749 32.34994 
1 1 1  -15    0   24 o  554.455   20.149  3921.65  278.979  4236.83  491.380  3771.73  338.894  563.400   35.100  540.596   25.104 22.80450 43.15376 
1 1 1  -15    0   25 o  142.714   14.989  260.194   52.621  390.030  105.981  217.713   60.621  172.029   25.437  129.374   19.359 42.65494 31.96597 
1 1 1  -15    0   26 o  275.846   13.768  960.544   94.838  929.718  176.805  972.995  112.372  266.111   26.979  276.553   16.344 -10.44168 31.54362 
1 1 1  -15    0   27 o  166.992   12.850  353.755   53.172  469.727  122.950  327.074   58.972  188.143   26.938  160.085   14.924 28.05820 30.79573 
1 1 1  -15    0   28 o  130.435   13.822  217.473   44.335  198.370  115.060  220.803   48.045  119.657   35.756  131.191   14.931 -11.53391 38.74870 
1 1 1  -15    0   29 o  263.198   12.880  875.782   84.657  1072.17  176.456  817.063   96.486  285.431   25.008  253.130   15.336 32.30133 29.33651 
1 1 1  -15    0   30 o   97.527   16.101  124.415   37.843   34.758  117.063  134.878   39.990   81.479   34.159  101.578   16.318 -20.09874 37.85660 
1 1 1  -15    0   31 o  326.350   27.514  1439.54  222.138   0.0000   0.0000  1439.54  222.138  ?   ?   326.350   27.514 0.000000 27.51427 
1 1 1  -15    0   32 o  328.142   14.531  1378.11  119.075  1641.89  239.092  1291.10  137.316  346.200   27.893  315.457   17.500 30.74310 32.92783 
1 1 1  -15    0   33 o  137.117   14.132  243.568   47.697  339.923  143.080  231.521   50.591  147.838   38.409  133.163   15.504 14.67534 41.41971 
1 1 1  -15    0   34 o   48.759   17.199   27.960   26.068   48.862  134.125   27.139   26.575   83.797   35.900   48.529   17.339 35.26850 39.86786 
1 1 1  -15    0   35 o  101.055   18.192  138.602   44.220  163.441  148.825  136.197   46.312  103.557   40.201   99.685   19.302 3.871513 44.59459 
1 1 1  -15    0   36 o  179.573   13.870  420.526   61.715  463.588  176.770  414.549   65.859  161.387   43.063  177.661   14.984 -16.27431 45.59557 
1 1 1  -15    0   37 o  113.012   15.315  170.316   42.108  162.338  163.042  170.887   43.587  100.544   41.048  112.936   15.895 -12.39185 44.01827 
1 1 1  -15    0   38 o  100.784   16.009  137.540   38.944  209.842  176.027  133.819   39.934  105.739   42.845   99.036   16.744 6.703072 46.00090 
1 1 1  -15    0   39 o   70.033   18.396   69.448   32.587   0.0000   0.0000   69.448   32.587  ?   ?    70.033   18.396 0.000000 18.39568 
1 1 1  -15    0   40 o  116.312   30.689  227.495   90.430   0.0000   0.0000  227.495   90.430  ?   ?   116.312   30.689 0.000000 30.68887 
1 1 1  -15    1    1 o  267.786   11.075  897.850   74.057  984.711  104.535  810.331  104.930  279.718   15.020  253.418   16.674 26.30046 22.44200 
1 1 1  -15    1    2 o  342.582   12.595  1470.60  107.746  1533.17  152.219  1407.78  152.533  349.222   17.455  334.024   18.357 15.19760 25.33095 
1 1 1  -15    1    3 o  232.851   10.259  678.585   59.651  694.799   83.692  661.845   85.042  234.921   14.335  229.178   14.941 5.742783 20.70586 
1 1 1  -15    1    4 o  365.331   13.016  1672.85  118.743  1677.00  167.509  1668.67  168.350  364.623   18.457  363.685   18.599 0.9373474 26.20276 
1 1 1  -15    1    5 o  209.899   10.008  551.368   52.459  569.623   73.638  532.558   74.750  212.665   13.943  205.502   14.662 7.162659 20.23374 
1 1 1  -15    1    6 o  240.526   10.659  724.281   64.020  724.375   90.067  724.185   91.016  239.749   15.121  239.693   15.286 0.5622864E-01 21.50122 
1 1 1  -15    1    7 o  363.369   11.366  1653.80  103.133  1611.24  145.364  1696.93  146.346  358.076   16.257  367.518   15.946 -9.442078 22.77178 
1 1 1  -15    1    8 o  312.991   11.629  1227.35   90.894  1235.98  128.117  1218.61  128.973  313.132   16.442  310.877   16.674 2.255157 23.41723 
1 1 1  -15    1    9 f  253.775   10.583  806.511   67.066  851.081   94.727  761.716   94.965  259.934   14.653  245.722   15.557 14.21182 21.37120 
1 1 1  -15    1   10 o  173.981   13.526  382.143   58.304  433.221   88.127  342.383   77.752  184.304   19.441  163.621   19.408 20.68341 27.47050 
1 1 1  -15    1   11 o  328.557   16.367  1358.62  134.288  1607.82  194.801  1132.96  185.373  355.624   22.044  297.422   25.195 58.20163 33.47778 
1 1 1  -15    1   12 o  360.754   13.100  1633.83  118.011  1821.11  167.338  1448.52  166.452  380.033   17.633  337.944   19.810 42.08923 26.52118 
1 1 1  -15    1   13 o  373.192   13.061  1749.02  121.719  1836.91  172.168  1661.19  172.105  381.450   18.074  362.030   19.105 19.42059 26.29965 
1 1 1  -15    1   14 o  198.403   9.7539  493.184   48.326  504.770   68.295  481.565   68.391  199.916   13.764  195.186   14.127 4.730484 19.72345 
1 1 1  -15    1   15 o  266.678   10.183  891.507   67.812  882.736   95.818  900.309   95.985  264.422   14.567  267.073   14.446 -2.651611 20.51542 
1 1 1  -15    1   16 o  337.797   12.275  1433.46  103.546  1463.76  146.478  1403.20  146.395  339.901   17.315  332.673   17.686 7.227539 24.75025 
1 1 1  -15    1   17 o  383.059   13.344  1846.00  127.644  1813.46  180.464  1878.58  180.569  377.687   19.197  385.005   18.781 -7.318420 26.85652 
1 1 1  -15    1   18 o  140.015   12.091  248.154   41.860  264.611   83.190  242.574   48.439  141.880   24.358  138.050   14.256 3.830139 28.22293 
1 1 1  -15    1   19 o  214.393   12.470  579.897   66.475  495.408  122.668  615.024   79.096  194.693   25.871  220.431   14.449 -25.73868 29.63289 
1 1 1  -15    1   20 o  175.159   22.850  398.564   97.564   0.0000   0.0000  398.564   97.564  ?   ?   175.159   22.850 0.000000 22.84955 
1 1 1  -15    1   21 o  147.142   26.736  287.460   94.620  287.460   94.620   0.0000   0.0000  147.142   26.736  ?   ?  0.000000 26.73579 
1 1 1  -15    1   22 o  241.620   12.772  736.816   76.790  674.159  142.984  762.214   91.033  227.403   25.626  245.284   14.933 -17.88136 29.65947 
1 1 1  -15    1   23 o  196.665   13.397  489.503   65.401  373.897  125.121  532.963   76.716  166.628   31.217  204.887   15.100 -38.25871 34.67739 
1 1 1  -15    1   24 o  354.971   16.036  1594.37  142.150  1388.98  253.695  1688.37  171.622  323.808   31.784  363.867   18.953 -40.05884 37.00604 
1 1 1  -15    1   25 o  286.564   14.697  1039.92  104.821  860.373  192.314  1115.81  125.025  254.451   30.900  296.179   16.975 -41.72760 35.25569 
1 1 1  -15    1   26 o  176.811   15.191  398.209   66.423  476.978  120.862  364.124   79.505  190.258   26.129  167.981   19.304 22.27742 32.48626 
1 1 1  -15    1   27 o  242.760   13.606  746.194   82.152  765.355  162.182  739.581   95.280  240.894   27.451  241.064   15.917 -0.1703033 31.73179 
1 1 1  -15    1   28 o  242.849   13.779  747.664   83.218  647.068  165.660  781.618   96.243  219.147   31.148  247.789   15.634 -28.64180 34.85123 
1 1 1  -15    1   29 o  160.964   13.603  330.009   54.167  263.831  129.128  344.141   59.670  136.423   36.978  164.127   14.715 -27.70464 39.79846 
1 1 1  -15    1   30 o  180.770   13.250  415.963   59.396  398.812  139.599  419.754   65.633  168.385   34.363  181.221   14.628 -12.83583 37.34652 
1 1 1  -15    1   31 o  319.541   14.129  1298.97  112.744  1425.69  225.252  1256.61  130.231  325.119   28.018  312.712   16.738 12.40613 32.63685 
1 1 1  -15    1   32 o  166.732   26.186  380.080  105.434   0.0000   0.0000  380.080  105.434  ?   ?   166.732   26.186 0.000000 26.18573 
1 1 1  -15    1   33 o  128.229   14.209  212.991   44.734  233.179  139.535  210.679   47.227  123.103   39.807  127.209   15.166 -4.105972 42.59768 
1 1 1  -15    1   34 o   90.426   16.569  109.233   36.035   64.158  138.962  112.482   37.312   87.700   37.015   91.677   16.921 -3.977661 40.69957 
1 1 1  -15    1   35 o  103.875   15.343  142.767   38.601   98.377  147.865  146.013   39.988   93.082   38.655  104.920   15.748 -11.83801 41.73978 
1 1 1  -15    1   36 o  104.199   18.568  147.990   46.543   65.330  153.955  156.304   48.828   87.644   38.010  106.962   18.975 -19.31755 42.48306 
1 1 1  -15    1   37 o  127.328   14.626  213.889   45.660  176.592  169.079  216.823   47.422  104.122   42.061  127.972   15.132 -23.84991 44.69992 
1 1 1  -15    1   38 o   85.144   16.814   99.264   34.482  295.388  178.591   91.669   35.144  121.891   44.752   81.361   17.793 40.53010 48.15927 
1 1 1  -15    1   39 o   81.193   18.303   92.498   36.223 -15.9012  187.086   96.719   36.921   79.281   37.220   83.069   18.294 -3.787453 41.47223 
1 1 1  -15    1   40 o  136.459   30.959  305.187  103.077   0.0000   0.0000  305.187  103.077  ?   ?   136.459   30.959 0.000000 30.95946 
1 1 1  -15    2    1 o  172.810   9.9825  375.002   42.895  428.167   60.278  320.458   61.055  184.333   13.182  158.995   15.578 25.33765 20.40651 
1 1 1  -15    2    2 o  121.707   9.8947  186.595   29.812  200.029   41.327  172.019   43.047  125.604   13.382  116.083   15.216 9.520477 20.26365 
1 1 1  -15    2    3 o  193.423   9.8135  469.387   47.245  458.214   66.085  481.066   67.569  190.626   13.980  195.351   13.943 -4.725357 19.74439 
1 1 1  -15    2    4 o  632.545   20.024  5043.08  316.298  5113.72  447.276  4972.41  447.351  634.022   28.250  625.031   28.661 8.990723 40.24352 
1 1 1  -15    2    5 o  238.178   9.9410  709.981   59.126  687.798   82.774  733.091   84.487  233.709   14.251  241.332   14.080 -7.623123 20.03368 
1 1 1  -15    2    6 o  277.926   10.798  967.189   74.944  918.046  105.189  1017.85  106.804  269.904   15.674  284.335   15.096 -14.43076 21.76174 
1 1 1  -15    2    7 f  492.090   16.060  3043.02  197.354  2921.61  278.565  3165.36  279.638  480.499   23.216  500.376   22.379 -19.87741 32.24614 
1 1 1  -15    2    8 f  145.145   9.7991  264.888   35.309  293.101   49.307  235.193   50.587  152.322   13.090  136.016   15.151 16.30544 20.02250 
1 1 1  -15    2    9 o  147.960   9.4824  275.125   34.851  263.954   48.430  287.122   50.191  144.408   13.590  150.681   13.481 -6.273254 19.14242 
1 1 1  -15    2   10 o  457.052   21.687  2643.14  247.526  2674.65  352.284  2612.42  347.867  455.615   31.150  450.270   31.129 5.344299 44.03775 
1 1 1  -15    2   11 f  509.602   24.008  3298.67  305.524  3084.99  433.627  3509.32  430.543  486.542   35.944  520.599   33.292 -34.05740 48.99352 
1 1 1  -15    2   12 o  468.787   14.589  2762.55  170.786  2731.68  240.894  2793.74  242.167  464.557   20.765  469.843   20.640 -5.285889 29.27810 
1 1 1  -15    2   13 o  225.364   10.237  636.398   57.611  694.494   81.348  577.940   81.602  234.665   13.945  213.748   15.391 20.91698 20.76855 
1 1 1  -15    2   14 o  162.190   9.4267  330.604   38.015  336.236   53.851  325.010   53.673  163.045   13.343  160.250   13.539 2.794662 19.00913 
1 1 1  -15    2   15 o  206.586   10.083  534.938   52.019  538.823   73.590  531.059   73.541  206.437   14.365  204.919   14.464 1.517593 20.38516 
1 1 1  -15    2   16 o  294.452   11.206  1088.02   82.399  1109.03  116.376  1066.91  116.683  296.139   15.794  290.360   16.156 5.779877 22.59366 
1 1 1  -15    2   17 o  368.059   13.222  1703.88  121.523  1720.61  171.846  1687.15  171.874  368.047   18.760  364.376   18.954 3.670593 26.66838 
1 1 1  -15    2   18 o  148.504   9.7606  277.681   35.995  273.832   50.827  281.555   50.982  146.810   14.035  148.914   13.869 -2.104095 19.73173 
1 1 1  -15    2   19 o  308.481   13.825  1198.41  106.501  1133.01  189.201  1228.74  128.855  295.778   25.876  311.340   16.634 -15.56140 30.76116 
1 1 1  -15    2   20 o  227.399   23.127  667.927  129.499   0.0000   0.0000  667.927  129.499  ?   ?   227.399   23.127 0.000000 23.12664 
1 1 1  -15    2   21 o  141.700   25.534  265.662   87.030   0.0000   0.0000  265.662   87.030  ?   ?   141.700   25.534 0.000000 25.53435 
1 1 1  -15    2   22 o  189.749   12.045  454.510   56.776  545.194  112.212  423.305   65.824  205.390   22.233  182.624   14.554 22.76570 26.57316 
1 1 1  -15    2   23 o  281.654   13.452  999.414   94.617  1003.39  174.577  997.761  112.587  277.997   25.429  280.425   16.146 -2.428223 30.12198 
1 1 1  -15    2   24 o  364.670   16.225  1682.76  147.757  1464.63  262.814  1783.58  178.667  332.591   32.040  373.983   19.196 -41.39203 37.35033 
1 1 1  -15    2   25 o  280.744   13.937  994.202   97.707  973.985  182.471  1002.33  115.690  272.852   27.140  280.834   16.570 -7.981506 31.79898 
1 1 1  -15    2   26 o  118.733   14.344  180.504   41.667  232.026  102.694  170.351   45.589  130.273   31.837  114.864   16.355 15.40926 35.79248 
1 1 1  -15    2   27 o  383.820   19.423  1883.94  185.555  2062.24  278.275  1741.20  248.988  396.473   28.292  364.625   27.549 31.84842 39.48904 
1 1 1  -15    2   28 o  143.805   14.778  264.330   52.315  129.195  123.561  293.846   57.747  103.416   37.337  151.536   15.477 -48.11929 40.41749 
1 1 1  -15    2   29 o   62.461   18.804   50.411   31.736 -99.1105  113.318   63.136   33.058   62.182   29.120   69.132   18.698 -6.950035 34.60626 
1 1 1  -15    2   30 o  214.151   13.451  582.763   71.567  633.262  158.736  569.880   80.178  216.099   30.244  211.222   15.305 4.876968 33.89580 
1 1 1  -15    2   31 o   82.742   17.697   91.013   35.458   86.567  118.653   91.449   37.156   91.617   35.803   82.795   18.444 8.821922 40.27476 
1 1 1  -15    2   32 o  126.355   15.344  206.943   47.422   0.0000   0.0000  206.943   47.422  ?   ?   126.355   15.344 0.000000 15.34403 
1 1 1  -15    2   33 o  271.600   19.507  967.496  131.423  1031.10  209.402  926.159  168.809  270.378   31.611  260.721   26.287 9.657166 41.11250 
1 1 1  -15    2   34 o   45.089   16.804   20.857   25.353   61.961  129.701   19.224   25.852   86.198   36.033   44.551   16.891 41.64753 39.79571 
1 1 1  -15    2   35 o   74.375   17.806   75.307   32.632  159.764  141.656   70.574   33.534  104.239   39.534   71.874   18.556 32.36478 43.67268 
1 1 1  -15    2   36 o   39.233   15.872   9.9088   24.114  113.622  146.341   7.0141   24.448   94.682   38.799   38.244   15.786 56.43829 41.88739 
1 1 1  -15    2   37 o  145.811   17.602  285.113   62.795  253.725  169.440  290.110   67.609  118.728   43.590  146.325   18.948 -27.59652 47.53034 
1 1 1  -15    2   38 o  124.147   14.900  204.248   45.271  458.058  179.824  187.074   46.777  156.876   44.078  118.092   16.297 38.78413 46.99388 
1 1 1  -15    2   39 o  138.616   15.052  255.707   51.266  268.067  201.169  254.848   53.017  113.832   45.915  138.039   15.657 -24.20708 48.51151 
1 1 1  -15    2   40 o  115.029   15.818  179.229   44.234   67.799  210.197  184.392   45.247   87.861   40.639  116.619   15.956 -28.75791 43.65867 
1 1 1  -15    3    1 o  137.037   9.9630  236.303   33.861  243.352   46.842  228.588   49.004  138.607   13.713  134.117   14.883 4.490051 20.23720 
1 1 1  -15    3    2 o  236.930   10.053  702.688   59.482  729.474   83.440  675.010   84.817  240.726   13.940  231.417   14.754 9.308090 20.29784 
1 1 1  -15    3    3 o  381.382   13.457  1824.29  128.163  1796.50  180.805  1852.35  181.697  377.101   19.264  383.455   18.975 -6.353851 27.04006 
1 1 1  -15    3    4 o  199.225   10.087  498.091   50.018  493.631   69.987  502.748   71.511  197.829   14.263  199.632   14.442 -1.803040 20.29785 
1 1 1  -15    3    5 o  315.652   11.903  1248.45   93.821  1225.89  132.103  1271.42  133.271  311.755   17.033  317.539   16.867 -5.783783 23.97162 
1 1 1  -15    3    6 o  199.640   9.4609  498.771   47.166  481.841   65.700  516.775   67.754  195.529   13.539  202.534   13.473 -7.004303 19.10049 
1 1 1  -15    3    7 o  283.865   11.361  1009.48   80.536  1042.19  113.482  976.293  114.313  287.542   15.866  278.161   16.531 9.381317 22.91293 
1 1 1  -15    3    8 o  246.573   10.561  761.390   65.030  793.927   91.450  728.108   92.491  251.021   14.653  240.222   15.501 10.79901 21.33023 
1 1 1  -15    3    9 o  150.652   10.989  285.831   41.057  286.614   51.163  284.416   68.811  150.494   13.767  149.031   18.916 1.462143 23.39475 
1 1 1  -15    3   10 o  387.311   19.624  1898.69  189.178  1604.19  268.713  2188.09  266.377  352.360   30.850  413.837   25.907 -61.47668 40.28459 
1 1 1  -15    3   11 o  214.003   13.992  577.657   74.365  662.109  110.167  506.966  100.792  228.146   19.525  199.201   20.558 28.94522 28.35217 
1 1 1  -15    3   12 o  219.655   10.563  604.593   57.939  637.200   81.486  571.253   82.397  224.669   14.603  212.498   15.638 12.17104 21.39616 
1 1 1  -15    3   13 o  552.726   17.749  3855.54  244.984  3782.07  346.042  3929.37  346.878  544.383   25.455  555.084   25.025 -10.70135 35.69578 
1 1 1  -15    3   14 o  470.278   14.613  2782.70  171.606  2829.90  242.685  2735.50  242.690  472.478   20.569  464.408   20.927 8.070404 29.34295 
1 1 1  -15    3   15 o  285.066   11.620  1019.86   82.717  1038.55  116.720  1001.01  117.241  286.488   16.383  281.155   16.775 5.333038 23.44794 
1 1 1  -15    3   16 o  231.460   10.462  671.850   60.471  743.724   85.753  600.752   85.289  242.673   14.213  217.709   15.795 24.96445 21.24833 
1 1 1  -15    3   17 o  436.925   14.859  2405.60  162.119  2469.39  229.398  2341.96  229.143  440.734   20.843  429.008   21.389 11.72592 29.86512 
1 1 1  -15    3   18 o  160.152   9.7355  322.730   38.750  309.294   54.471  336.499   55.138  156.095   14.127  162.947   13.677 -6.852295 19.66313 
1 1 1  -15    3   19 o  380.218   19.262  1839.39  182.292   0.0000   0.0000  1839.39  182.292  ?   ?   380.218   19.262 0.000000 19.26214 
1 1 1  -15    3   20 o  179.957   14.399  410.731   64.164  410.731   64.164   0.0000   0.0000  179.957   14.399  ?   ?  0.000000 14.39871 
1 1 1  -15    3   21 o  116.398   27.063  181.620   77.174   0.0000   0.0000  181.620   77.174  ?   ?   116.398   27.063 0.000000 27.06322 
1 1 1  -15    3   22 o  241.469   11.973  733.045   72.198  917.732  137.280  662.430   84.886  267.614   20.703  228.636   14.950 38.97835 25.53676 
1 1 1  -15    3   23 o  253.140   13.440  809.394   84.656  759.201  156.369  830.205  100.688  241.217   26.390  255.818   15.839 -14.60104 30.77837 
1 1 1  -15    3   24 o  417.366   16.952  2206.40  176.676  2203.01  313.599  2207.98  213.843  409.335   30.907  416.113   20.579 -6.778137 37.13166 
1 1 1  -15    3   25 o  269.944   13.980  921.449   93.916  872.982  175.964  940.755  111.056  258.014   27.746  272.120   16.420 -14.10574 32.24097 
1 1 1  -15    3   26 o  199.366   12.670  502.533   62.753  564.401  130.614  483.966   71.552  207.521   25.758  195.191   14.789 12.32976 29.70227 
1 1 1  -15    3   27 o  363.749   18.737  1688.90  169.623  1858.43  255.770  1555.80  226.631  377.071   27.349  345.343   26.481 31.72815 38.06862 
1 1 1  -15    3   28 o  115.615   15.221  171.999   42.875   95.558  113.240  184.791   46.324   94.169   35.432  119.755   15.882 -25.58528 38.82880 
1 1 1  -15    3   29 o  235.637   13.783  704.205   80.752  586.902  163.393  742.116   92.889  207.741   32.567  241.433   15.489 -33.69148 36.06255 
1 1 1  -15    3   30 o  234.622   13.700  699.048   79.920  685.246  165.800  703.226   91.216  225.248   30.240  234.729   15.651 -9.481354 34.05038 
1 1 1  -15    3   31 o   85.805   17.239   97.388   35.656  217.749  123.790   86.499   37.235  123.510   37.129   80.485   18.856 43.02463 41.64254 
1 1 1  -15    3   32 o  110.268   16.974  159.380   45.240  108.757  132.572  166.053   48.129   97.949   37.965  112.365   17.741 -14.41571 41.90598 
1 1 1  -15    3   33 o   68.910   27.992   35.458   75.342   0.0000   0.0000   35.458   75.342  ?   ?    68.910   27.992 0.000000 27.99238 
1 1 1  -15    3   34 o  101.284   15.974  135.271   39.063  156.321  139.989  133.493   40.678  105.779   39.474  100.322   16.834 5.456429 42.91380 
1 1 1  -15    3   35 o  150.805   14.302  295.189   53.216  209.114  153.863  306.885   56.717  115.259   41.656  153.506   14.987 -38.24675 44.26994 
1 1 1  -15    3   36 o  129.635   14.551  219.895   46.293  229.920  156.744  218.937   48.454  117.496   42.095  129.027   15.339 -11.53114 44.80262 
1 1 1  -15    3   37 o  127.080   14.184  211.638   44.245  538.432  172.318  188.572   45.780  180.981   39.258  119.216   15.764 61.76492 42.30450 
1 1 1  -15    3   38 o   80.904   19.632   91.471   39.261 -22.6807  171.490   97.785   40.332   79.339   36.700   83.681   19.638 -4.341827 41.62423 
1 1 1  -15    3   39 o  256.220   13.990  859.197   89.176  1266.50  246.232  797.710   95.670  278.368   36.285  245.410   15.693 32.95813 39.53311 
1 1 1  -15    3   40 o   95.845   17.354  126.661   40.006   14.904  196.426  131.497   40.862   83.110   38.728   97.683   17.389 -14.57395 42.45286 
1 1 1  -15    3   41 o  207.376   25.034  640.860  127.016  460.187  257.776  698.790  145.965  125.874   51.527  212.148   28.255 -86.27364 58.76580 
1 1 1  -15    4    1 o  198.066   9.8254  491.128   48.597  528.722   68.009  451.901   69.469  204.846   13.368  189.101   14.830 15.74519 19.96591 
1 1 1  -15    4    2 o  237.334   10.237  705.287   60.670  726.961   85.086  682.870   86.533  240.220   14.248  232.685   14.972 7.535156 20.66751 
1 1 1  -15    4    3 o  106.852   10.663  144.397   28.071  160.921   38.630  125.910   40.862  112.366   14.076   98.630   17.217 13.73552 22.23842 
1 1 1  -15    4    4 o  299.466   11.855  1123.91   88.653  1199.41  125.302  1048.23  125.447  308.427   16.327  288.057   17.523 20.36966 23.95011 
1 1 1  -15    4    5 o  187.611   9.7026  441.750   45.301  426.503   62.985  458.090   65.205  183.843   13.821  190.571   13.795 -6.727295 19.52709 
1 1 1  -15    4    6 o  276.819   11.263  960.030   77.855  945.972  109.370  974.472  110.853  273.844   16.064  277.956   16.039 -4.112122 22.69993 
1 1 1  -15    4    7 o  188.097   10.007  444.211   46.836  432.618   65.476  456.357   67.024  185.085   14.277  190.133   14.219 -5.047867 20.14969 
1 1 1  -15    4    8 o  439.504   17.198  2431.81  188.757  2395.88  231.510  2503.06  326.004  435.292   21.298  441.374   29.751 -6.081879 36.58892 
1 1 1  -15    4    9 o  210.332   14.527  558.345   75.836  458.828  109.813  649.081  104.856  188.733   23.831  226.103   18.740 -37.37010 30.31676 
1 1 1  -15    4   10 o  304.416   16.625  1170.07  125.901  1178.45  180.891  1162.19  175.340  303.685   24.050  301.737   23.455 1.947845 33.59324 
1 1 1  -15    4   11 o  177.399   13.839  397.657   60.822  404.839   90.537  391.751   82.111  177.700   20.796  175.130   19.084 2.570267 28.22566 
1 1 1  -15    4   12 o  203.382   9.9818  518.171   50.696  489.581   70.786  548.277   72.639  196.810   14.505  208.411   14.039 -11.60048 20.18639 
1 1 1  -15    4   13 o  367.882   13.412  1700.36  123.211  1730.40  173.881  1670.08  174.614  369.522   18.907  362.884   19.339 6.638153 27.04544 
1 1 1  -15    4   14 o  241.044   10.762  728.534   64.780  718.083   91.049  739.248   92.187  238.304   15.382  241.811   15.346 -3.507202 21.72827 
1 1 1  -15    4   15 o  259.951   10.704  847.439   69.482  824.265   97.765  871.090   98.767  255.322   15.406  262.556   15.128 -7.234314 21.59154 
1 1 1  -15    4   16 o  332.668   12.255  1390.13  101.807  1437.07  143.933  1343.13  144.022  336.846   17.168  325.451   17.789 11.39514 24.72190 
1 1 1  -15    4   17 o  312.318   12.557  1225.93   97.933  1329.71  138.532  1122.25  138.464  323.907   17.188  297.061   18.762 26.84607 25.44518 
1 1 1  -15    4   18 o  195.562   9.9320  480.767   48.344  480.037   68.626  481.486   68.115  194.726   14.211  195.047   14.079 -0.3208771 20.00442 
1 1 1  -15    4   19 o  173.997   12.451  382.519   53.744  406.484   63.203  319.938  102.134  179.074   14.252  155.454   27.306 23.61929 30.80144 
1 1 1  -15    4   20 o   89.883   11.550  103.126   25.324  119.575   35.333   85.751   36.314   96.217   15.211   80.681   18.428 15.53568 23.89515 
1 1 1  -15    4   21 o   97.954   16.345  124.438   38.572  137.808   45.018   87.515   74.811  102.804   18.202   85.136   29.190 17.66794 34.40032 
1 1 1  -15    4   22 o  210.880   16.840  566.187   87.942  442.907  126.593  681.167  122.257  182.859   28.665  230.103   21.527 -47.24355 35.84835 
1 1 1  -15    4   23 o  216.077   11.828  588.636   63.582  731.562  124.476  538.180   73.958  238.618   21.107  206.078   14.463 32.54039 25.58724 
1 1 1  -15    4   24 o  373.964   15.664  1767.41  146.277  1876.51  262.801  1718.44  176.074  379.487   27.928  367.138   19.272 12.34927 33.93236 
1 1 1  -15    4   25 o  166.893   12.947  352.808   53.536  309.728  114.619  364.828   60.546  151.242   31.377  169.438   14.447 -18.19577 34.54310 
1 1 1  -15    4   26 o   97.060   16.300  122.390   38.107  104.964  102.269  125.199   41.064   94.742   33.996   97.952   17.427 -3.209831 38.20232 
1 1 1  -15    4   27 o  372.086   15.068  1750.34  140.006  2023.35  258.775  1637.35  166.476  394.228   26.439  358.232   18.674 35.99600 32.36903 
1 1 1  -15    4   28 o  181.779   15.694  421.492   70.542  516.644  135.582  386.172   82.603  197.107   28.362  172.941   19.465 24.16652 34.39933 
1 1 1  -15    4   29 o  310.542   14.381  1219.91  111.522  1276.02  212.937  1198.70  130.912  311.145   27.695  306.535   17.171 4.610046 32.58628 
1 1 1  -15    4   30 o  265.063   14.201  892.163   93.653  930.681  187.853  879.423  108.037  264.010   28.970  262.366   16.575 1.643188 33.37615 
1 1 1  -15    4   31 o  100.434   16.442  131.810   39.810  226.763  125.141  121.118   41.992  126.121   37.194   95.733   18.231 30.38866 41.42218 
1 1 1  -15    4   32 o  182.750   13.538  426.326   61.342  561.075  150.472  399.468   67.178  201.505   30.888  176.295   15.414 25.20929 34.52078 
1 1 1  -15    4   33 o   68.178   18.410   62.200   32.079  195.988  129.932   53.515   33.104  116.128   38.461   63.787   19.206 52.34153 42.98993 
1 1 1  -15    4   34 o   71.890   28.856   44.914   79.033   0.0000   0.0000   44.914   79.033  ?   ?    71.890   28.856 0.000000 28.85613 
1 1 1  -15    4   35 o  134.083   14.750  234.071   48.570  260.470  151.490  231.046   51.277  127.132   41.502  132.823   15.768 -5.690834 44.39623 
1 1 1  -15    4   36 f   58.039   18.247   44.333   29.484  126.836  148.525   40.949   30.083   98.391   39.535   56.407   18.498 41.98406 43.64864 
1 1 1  -15    4   37 o   60.085   18.722   48.207   31.117   8.7185  155.863   49.846   31.756   81.318   36.590   60.991   18.899 20.32730 41.18221 
1 1 1  -15    4   38 o   71.507   18.994   70.858   34.490   8.4542  173.144   73.437   35.195   83.294   37.910   72.748   19.122 10.54601 42.45971 
1 1 1  -15    4   39 o  228.587   13.826  682.159   78.549  979.731  229.218  642.565   83.611  241.444   39.375  220.790   15.258 20.65459 42.22764 
1 1 1  -15    4   40 o  150.368   15.164  300.867   56.163   0.0000   0.0000  300.867   56.163  ?   ?   150.368   15.164 0.000000 15.16415 
1 1 1  -15    4   41 o  210.516   18.135  607.550   94.404  1057.86  255.508  536.359  101.593  231.164   45.881  194.571   21.255 36.59282 50.56532 
1 1 1  -15    5    1 o   85.129   16.608   94.323   34.038  171.983   52.831   39.207   44.507  115.267   19.017   61.429   22.373 53.83807 29.36332 
1 1 1  -15    5    2 o  343.765   17.573  1492.67  150.353  1597.69  214.294  1390.85  211.007  353.837   24.402  329.586   25.845 24.25049 35.54420 
1 1 1  -15    5    3 o  396.937   15.768  1981.38  156.295  2047.50  192.092  1851.86  268.846  402.838   19.095  379.677   28.565 23.16028 34.35962 
1 1 1  -15    5    4 o  418.852   16.525  2207.56  172.846  2211.88  212.120  2199.04  298.181  418.438   20.300  413.772   29.042 4.665497 35.43362 
1 1 1  -15    5    5 o  339.673   17.311  1456.57  146.352  1613.65  209.452  1306.71  204.581  355.908   23.702  319.488   25.864 36.42041 35.08220 
1 1 1  -15    5    6 o   71.636   18.115   67.172   32.426   55.938   51.820   74.401   41.569   69.905   24.276   75.643   21.171 -5.737770 32.21056 
1 1 1  -15    5    7 o  315.773   16.957  1258.91  133.221  1242.11  190.458  1275.01  186.413  311.742   24.667  316.120   23.789 -4.377594 34.26880 
1 1 1  -15    5    8 o  214.110   14.636  578.656   77.784  469.020  112.418  679.354  107.738  190.740   24.142  231.308   18.815 -40.56863 30.60814 
1 1 1  -15    5    9 o  460.934   21.892  2691.45  251.983  2693.32  357.973  2689.61  354.764  456.572   31.591  456.385   31.318 0.1869507 44.48402 
1 1 1  -15    5   10 o  202.859   14.197  519.554   71.465  517.962  104.953  520.929   97.582  201.191   21.209  202.132   19.578 -0.9415588 28.86386 
1 1 1  -15    5   11 o  223.007   10.389  623.143   57.857  611.467   80.869  635.385   82.810  220.024   14.804  224.293   14.869 -4.269073 20.98249 
1 1 1  -15    5   12 o  279.706   10.880  980.780   75.994  948.801  106.725  1013.67  108.234  274.083   15.658  283.388   15.352 -9.304840 21.92824 
1 1 1  -15    5   13 o  213.842   9.9664  572.980   53.221  583.745   74.680  561.870   75.866  215.030   13.984  210.858   14.496 4.172043 20.14155 
1 1 1  -15    5   14 o  152.638   9.8329  293.147   37.280  286.432   51.574  300.495   53.951  150.293   13.899  153.918   14.196 -3.625061 19.86759 
1 1 1  -15    5   15 o  162.449   10.151  332.095   40.971  346.466   57.319  317.082   58.585  165.369   14.012  157.970   15.032 7.399750 20.55009 
1 1 1  -15    5   16 o  349.380   13.096  1534.70  114.261  1550.19  161.404  1519.15  161.777  349.452   18.562  345.852   18.802 3.600311 26.42143 
1 1 1  -15    5   17 o  154.982   10.091  302.447   38.840  314.553   54.440  289.896   55.431  157.471   13.990  150.960   14.898 6.511078 20.43721 
1 1 1  -15    5   18 o  172.003   11.211  372.953   47.892  387.347   77.584  364.092   60.874  174.003   18.121  169.387   14.532 4.615829 23.22836 
1 1 1  -15    5   19 o  136.455   10.413  234.945   35.216  218.793   48.595  252.809   51.104  130.863   15.151  140.870   14.746 -10.00661 21.14209 
1 1 1  -15    5   20 o  262.810   11.640  867.700   76.391  938.664  108.167  797.086  107.901  272.156   15.986  250.377   17.365 21.77917 23.60273 
1 1 1  -15    5   21 o  201.242   15.687  514.429   78.211  655.176  103.774  329.360  118.996  226.555   18.504  156.321   31.571 70.23425 36.59396 
1 1 1  -15    5   22 o  389.083   20.229  1931.73  195.865  2072.75  271.960  1779.75  282.321  399.538   27.424  368.127   31.000 31.41058 41.38913 
1 1 1  -15    5   23 o  101.598   14.520  132.739   35.791  266.873   90.765  108.042   38.946  141.692   26.630   90.817   17.809 50.87461 32.03621 
1 1 1  -15    5   24 o  231.595   12.934  677.263   74.503  736.321  143.595  655.509   87.151  238.211   24.488  227.291   15.446 10.91951 28.95269 
1 1 1  -15    5   25 o  316.396   14.458  1263.13  114.230  1301.96  209.150  1246.63  136.365  316.244   26.735  313.093   17.511 3.150909 31.95921 
1 1 1  -15    5   26 o  127.821   14.199  208.600   44.557  248.599  107.860  200.370   48.927  134.905   32.420  124.854   16.065 10.05119 36.18187 
1 1 1  -15    5   27 o  214.979   13.407  584.888   71.618  612.402  146.882  576.306   82.029  215.365   27.972  212.901   15.536 2.463379 31.99691 
1 1 1  -15    5   28 f   98.402   19.116  127.429   45.279   10.112  110.515  151.095   49.637   76.681   32.712  107.344   19.223 -30.66296 37.94248 
1 1 1  -15    5   29 o  223.875   16.896  640.278   93.761  584.168  161.565  668.771  115.132  207.770   32.180  227.648   20.472 -19.87775 38.13976 
1 1 1  -15    5   30 o  309.149   14.425  1210.35  111.357  1379.39  217.247  1150.11  129.691  323.332   27.158  299.932   17.390 23.40039 32.24856 
1 1 1  -15    5   31 o   59.165   18.814   44.295   31.269  282.396  125.239   28.466   32.291  140.998   35.572   51.998   19.039 88.99921 40.34615 
1 1 1  -15    5   32 o  117.782   15.419  179.702   44.261  169.602  130.688  181.011   47.041  111.408   38.559  117.939   16.418 -6.531357 41.90878 
1 1 1  -15    5   33 o  231.932   13.086  685.642   75.481  830.984  173.281  651.605   83.855  246.430   28.696  225.369   14.985 21.06093 32.37289 
1 1 1  -15    5   34 o   61.044   18.988   48.607   32.022   0.0000   0.0000   48.607   32.022  ?   ?    61.044   18.988 0.000000 18.98828 
1 1 1  -15    5   35 o   80.540   29.030   82.708   74.651 -26.5081  145.273  121.895   87.019   77.253   34.990   93.286   31.485 -16.03365 47.06964 
1 1 1  -15    5   36 o   80.302   17.920   87.607   35.024  216.270  155.110   80.695   35.952  116.177   41.848   76.802   18.879 39.37518 45.90964 
1 1 1  -15    5   37 o  100.144   16.376  134.014   39.538   89.764  161.810  136.824   40.773   93.218   39.670  101.070   16.741 -7.851608 43.05802 
1 1 1  -15    5   38 o  156.332   14.396  319.647   55.568  481.366  183.041  303.229   58.321  165.051   43.716  151.628   15.627 13.42352 46.42471 
1 1 1  -15    5   39 o   99.641   19.014  136.949   45.586  290.533  189.726  127.539   46.961  122.506   45.908   95.475   20.321 27.03138 50.20430 
1 1 1  -15    5   40 o  107.894   16.933  158.101   44.121  209.417  216.624  155.880   45.066  106.720   45.670  106.837   17.498 -0.1169434 48.90711 
1 1 1  -15    5   41 o  167.037   14.832  371.150   61.223  514.870  242.705  361.383   63.269  142.311   52.182  164.275   15.611 -21.96404 54.46691 
1 1 1  -15    6    1 o  254.430   15.304  817.400   96.780  719.094  137.973  912.617  135.788  236.690   23.660  267.757   20.463 -31.06711 31.28180 
1 1 1  -15    6    2 o  269.080   15.116  913.489  101.162  1062.42  145.505  774.148  140.743  289.110   20.282  245.846   23.200 43.26419 30.81554 
1 1 1  -15    6    3 o  360.447   18.278  1643.34  163.981  1690.85  233.291  1596.94  230.542  363.321   25.882  352.872   26.353 10.44885 36.93736 
1 1 1  -15    6    4 o  522.154   23.989  3465.06  312.795  3681.39  444.174  3252.22  440.565  532.816   33.554  499.542   35.549 33.27359 48.88403 
1 1 1  -15    6    5 o  456.145   21.665  2635.53  246.779  2671.50  350.478  2600.16  347.537  454.886   31.039  448.662   31.214 6.223785 44.01944 
1 1 1  -15    6    6 o  154.968   14.241  304.223   54.492  223.607   80.470  372.497   74.055  130.355   25.634  171.032   17.590 -40.67697 31.08852 
1 1 1  -15    6    7 o  198.418   14.315  497.220   70.452  490.027  104.186  503.280   95.630  195.531   21.704  198.670   19.528 -3.139221 29.19579 
1 1 1  -15    6    8 o  118.435   14.780  179.025   42.761  181.150   66.745  177.546   55.692  117.415   23.583  116.976   19.770 0.4388428 30.77332 
1 1 1  -15    6    9 o  432.866   17.418  2362.41  188.274  2314.72  326.146  2386.25  230.572  422.984   31.095  434.011   21.274 -11.02679 37.67631 
1 1 1  -15    6   10 f  434.415   14.850  2373.52  161.092  2360.07  227.159  2387.13  228.484  431.597   21.077  434.064   21.079 -2.466705 29.80859 
1 1 1  -15    6   11 o  211.745   10.082  561.764   53.310  548.457   74.270  575.906   76.565  208.367   14.361  213.527   14.444 -5.159882 20.36846 
1 1 1  -15    6   12 o  148.922   9.8091  279.049   36.274  267.127   50.168  292.111   52.511  145.102   14.020  151.796   14.011 -6.693985 19.82107 
1 1 1  -15    6   13 o  507.082   16.965  3244.56  214.821  3276.18  303.420  3212.78  304.186  506.906   23.970  501.845   24.273 5.060883 34.11339 
1 1 1  -15    6   14 o  342.306   12.634  1471.96  107.995  1477.33  152.137  1466.51  153.326  341.436   17.906  340.119   18.118 1.316864 25.47289 
1 1 1  -15    6   15 o  218.704   10.177  599.679   55.582  605.696   77.992  593.469   79.232  218.900   14.347  216.595   14.736 2.304138 20.56697 
1 1 1  -15    6   16 o  126.473   10.706  202.074   33.494  200.584   46.433  203.691   48.361  125.271   15.151  126.147   15.691 -0.8754196 21.81208 
1 1 1  -15    6   17 o  278.851   16.466  985.321  114.148   0.0000   0.0000  985.321  114.148  ?   ?   278.851   16.466 0.000000 16.46554 
1 1 1  -15    6   18 o  167.899   14.443  357.714   59.966  357.714   59.966   0.0000   0.0000  167.899   14.443  ?   ?  0.000000 14.44279 
1 1 1  -15    6   19 o  156.991   10.047  310.360   39.181  297.833   54.794  323.469   56.049  153.063   14.509  159.625   14.210 -6.561844 20.30803 
1 1 1  -15    6   20 o  156.708   10.688  309.623   41.574  357.227   58.749  261.872   58.839  167.803   14.152  142.964   16.802 24.83910 21.96770 
1 1 1  -15    6   21 o  169.139   11.686  361.145   49.055  385.004   77.451  345.161   63.391  173.374   18.159  164.623   15.607 8.750809 23.94376 
1 1 1  -15    6   22 o  181.795   15.757  420.509   70.827  576.954   93.181  206.454  108.996  212.689   17.705  123.254   34.206 89.43459 38.51618 
1 1 1  -15    6   23 o  265.229   11.457  883.873   75.883  916.712  108.033  851.892  106.612  268.812   16.169  258.996   16.571 9.815948 23.15223 
1 1 1  -15    6   24 o  101.172   15.748  132.303   38.492  167.447   90.479  124.537   42.533  111.486   31.245   97.595   18.119 13.89108 36.11886 
1 1 1  -15    6   25 o  192.575   13.454  469.465   64.293  362.606  127.435  505.952   74.465  163.672   32.326  199.620   15.049 -35.94817 35.65731 
1 1 1  -15    6   26 o  141.290   14.626  254.619   50.857  152.081  113.748  280.238   56.857  108.421   35.990  148.092   15.610 -39.67101 39.22926 
1 1 1  -15    6   27 o  163.792   14.365  341.198   58.162  280.629  125.008  357.932   65.708  142.538   35.304  167.452   15.904 -24.91432 38.72111 
1 1 1  -15    6   28 o  250.864   13.946  796.810   87.019  776.129  170.979  804.040  101.091  242.215   28.834  251.403   16.189 -9.188141 33.06799 
1 1 1  -15    6   29 o  419.232   19.627  2246.03  205.476  2700.94  309.894  1889.13  274.492  454.059   27.460  378.247   29.289 75.81174 40.14817 
1 1 1  -15    6   30 o  128.012   15.339  210.652   48.056  220.821  127.262  208.960   51.899  125.693   37.614  127.141   16.754 -1.447479 41.17719 
1 1 1  -15    6   31 f  289.155   14.230  1060.00  102.749  1240.08  206.751  1000.94  118.406  305.555   27.387  279.585   17.041 25.96976 32.25552 
1 1 1  -15    6   32 o   75.278   19.041   75.749   35.819  148.211  129.156   69.711   37.282  106.595   38.209   72.333   19.979 34.26181 43.11741 
1 1 1  -15    6   33 o  276.351   14.123  975.030   97.138  1120.64  206.554  933.680  110.069  286.389   29.294  269.361   16.442 17.02771 33.59327 
1 1 1  -15    6   34 o  192.772   13.816  476.529   66.069  515.266  163.624  468.983   72.218  187.281   36.297  190.669   15.296 -3.388031 39.38852 
1 1 1  -15    6   35 o  161.066   29.510  369.315  114.317   0.0000   0.0000  369.315  114.317  ?   ?   161.066   29.510 0.000000 29.50961 
1 1 1  -15    6   36 o   80.233   18.423   87.613   36.133 -83.1126  150.076   98.119   37.229   71.782   33.582   85.095   18.077 -13.31293 38.13889 
1 1 1  -15    6   37 f  149.702   14.984  293.055   55.264  169.447  168.826  307.889   58.486  106.677   42.390  153.240   15.497 -46.56271 45.13365 
1 1 1  -15    6   38 o   84.716   17.749   97.924   36.346  248.571  171.419   90.832   37.192  119.136   43.828   81.213   18.722 37.92249 47.65969 
1 1 1  -15    6   39 o  139.348   15.427  256.819   52.782  203.219  199.214  260.866   54.738  109.386   45.098  140.206   15.916 -30.82022 47.82385 
1 1 1  -15    6   40 f   89.805   40.662   60.177  196.024   60.177  196.024   0.0000   0.0000   89.805   40.662  ?   ?  0.000000 40.66234 
1 1 1  -15    6   41 o   51.207   18.271   32.205   29.502  142.992  211.750   30.012   29.792   97.155   43.259   50.274   18.305 46.88181 46.97220 
1 1 1  -15    6   42 o  105.005   17.066  152.033   43.213  581.731  240.865  137.742   43.926  149.572   52.315   99.096   18.429 50.47644 55.46573 
1 1 1  -15    7    1 o  179.492   9.8459  404.886   43.963  364.851   60.857  448.579   63.578  169.687   14.501  188.429   13.603 -18.74210 19.88293 
1 1 1  -15    7    2 o  395.486   13.652  1965.79  134.823  1849.48  189.709  2084.49  191.643  381.685   19.973  406.033   18.901 -24.34824 27.49843 
1 1 1  -15    7    3 f  212.499   9.9549  565.743   52.825  580.974   73.412  549.388   76.072  214.573   13.773  208.479   14.706 6.094620 20.14907 
1 1 1  -15    7    4 f  315.284   12.030  1247.25   94.713  1285.83  133.194  1207.79  134.706  318.957   16.782  308.926   17.534 10.03098 24.27048 
1 1 1  -15    7    5 o  106.248   10.713  142.914   28.035  153.000   38.561  131.604   40.832  109.381   14.473  100.875   16.800 8.505394 22.17466 
1 1 1  -15    7    6 o  252.136   10.537  796.716   66.343  804.014   92.754  789.071   94.932  252.414   14.780  249.957   15.282 2.456650 21.25995 
1 1 1  -15    7    7 o  186.474   10.167  436.957   47.165  480.290   65.879  391.389   67.556  195.057   13.610  175.664   15.561 19.39262 20.67359 
1 1 1  -15    7    8 o  163.255   10.086  335.186   40.917  347.361   56.884  322.131   58.900  165.684   13.876  159.330   14.980 6.354111 20.41903 
1 1 1  -15    7    9 o  105.465   10.858  140.903   28.187  148.576   38.429  131.968   41.469  107.717   14.668  100.956   17.057 6.761848 22.49598 
1 1 1  -15    7   10 f  393.660   14.005  1948.26  137.680  1973.89  194.140  1922.33  195.282  394.925   19.686  389.107   20.167 5.818604 28.18195 
1 1 1  -15    7   11 o  198.502   10.060  495.031   49.703  475.634   69.263  515.624   71.365  193.929   14.405  201.988   14.240 -8.058441 20.25545 
1 1 1  -15    7   12 o  190.260   10.248  455.037   48.508  473.927   67.734  435.149   69.502  193.609   14.107  185.294   15.153 8.314713 20.70309 
1 1 1  -15    7   13 o  265.264   10.952  882.604   72.547  837.510  101.548  929.608  103.678  257.275   15.884  271.212   15.372 -13.93707 22.10379 
1 1 1  -15    7   14 o  349.656   13.165  1536.97  114.947  1535.96  161.874  1537.99  163.255  347.858   18.703  348.043   18.854 -0.1847534 26.55744 
1 1 1  -15    7   15 o  121.737   10.684  187.307   32.150  196.965   44.341  176.602   46.683  124.235   14.569  117.189   16.401 7.045357 21.93801 
1 1 1  -15    7   16 o   86.502   12.052   95.775   25.327   98.843   34.661   92.259   37.100   87.076   16.545   83.796   18.247 3.280106 24.63084 
1 1 1  -15    7   17 o  242.005   10.891  734.976   65.818  716.406   92.351  754.144   93.827  237.792   15.639  244.036   15.477 -6.244003 22.00273 
1 1 1  -15    7   18 o  279.395   11.737  980.565   81.893  984.937  115.126  976.087  116.514  278.701   16.617  277.369   16.902 1.332153 23.70287 
1 1 1  -15    7   19 o   80.326   13.194   83.272   25.546   88.539   34.907   77.199   37.485   82.121   17.554   76.530   19.545 5.590950 26.27067 
1 1 1  -15    7   20 f  191.964   10.379  463.705   49.570  464.713   69.684  462.672   70.530  191.434   14.689  190.967   14.908 0.4665680 20.92862 
1 1 1  -15    7   21 o  146.406   10.547  270.391   38.300  287.594   54.212  253.247   54.117  150.331   14.626  140.777   15.659 9.554260 21.42758 
1 1 1  -15    7   22 o  170.666   14.955  370.242   63.095  398.104   79.259  322.038  104.250  176.275   18.271  155.660   27.841 20.61496 33.30118 
1 1 1  -15    7   23 o  188.180   11.855  446.853   55.422  393.872   64.766  591.771  107.114  176.071   14.869  214.717   20.215 -38.64528 25.09460 
1 1 1  -15    7   24 o  191.884   10.358  463.462   49.450  494.597   70.540  433.376   69.342  197.520   14.400  184.666   15.171 12.85413 20.91719 
1 1 1  -15    7   25 o  415.889   16.977  2190.81  176.310  2389.30  314.478  2099.82  212.920  427.234   29.660  405.072   21.122 22.16229 36.41256 
1 1 1  -15    7   26 o   83.188   17.798   91.064   35.854   90.450   97.524   91.160   38.554   90.251   33.080   83.067   18.999 7.184593 38.14775 
1 1 1  -15    7   27 o  171.125   13.972  371.836   59.187  343.700  127.550  379.557   66.817  158.671   33.255  172.537   15.679 -13.86574 36.76550 
1 1 1  -15    7   28 o  309.440   14.611  1209.94  112.904  1268.46  213.045  1187.08  133.137  311.004   27.722  305.229   17.541 5.775085 32.80581 
1 1 1  -15    7   29 o  256.666   16.760  839.855  106.832  931.144  178.615  789.006  133.305  265.973   27.278  246.967   21.840 19.00604 34.94432 
1 1 1  -15    7   30 o  171.649   16.202  377.406   68.628  471.759  142.468  348.896   78.313  186.145   31.791  164.045   19.499 22.09966 37.29411 
1 1 1  -15    7   31 o  220.320   14.566  618.210   79.689  546.011  166.005  639.829   90.839  198.179   34.814  223.583   16.384 -25.40385 38.47681 
1 1 1  -15    7   32 o  205.791   13.846  539.727   70.741  705.790  165.784  502.759   78.219  227.758   29.869  197.924   15.961 29.83415 33.86599 
1 1 1  -15    7   33 o  337.955   14.540  1455.63  122.710  1797.86  247.343  1343.90  141.329  365.544   27.293  322.771   17.601 42.77328 32.47612 
1 1 1  -15    7   34 o  210.218   14.143  566.609   73.812  737.185  177.346  530.870   81.177  228.741   31.917  202.633   16.177 26.10767 35.78280 
1 1 1  -15    7   35 o  174.944   14.564  395.170   63.047  259.057  165.880  418.153   68.162  127.770   43.468  179.672   15.339 -51.90236 46.09510 
1 1 1  -15    7   36 o  137.473   33.140  283.109  112.438   0.0000   0.0000  283.109  112.438  ?   ?   137.473   33.140 0.000000 33.14042 
1 1 1  -15    7   37 o  184.028   14.719  440.511   67.077  426.492  187.497  442.568   71.831  156.062   45.387  183.909   15.794 -27.84726 48.05641 
1 1 1  -15    7   38 o  172.169   14.364  386.287   61.194  595.031  191.756  362.618   64.570  188.558   41.820  166.075   15.758 22.48285 44.69012 
1 1 1  -15    7   39 o  152.860   16.202  309.734   60.903   0.0000   0.0000  309.734   60.903  ?   ?   152.860   16.202 0.000000 16.20183 
1 1 1  -15    7   40 o  107.684   16.760  156.586   43.602  105.241  200.014  159.148   44.677   95.625   42.336  108.431   17.064 -12.80608 45.64569 
1 1 1  -15    7   41 o   60.734   20.005   49.908   35.169   26.665  212.160   50.565   35.663   87.024   40.451   61.098   20.146 25.92552 45.19003 
1 1 1  -15    7   42 o  136.980   15.901  253.262   53.382  245.467  236.390  253.681   54.797  105.883   46.485  136.800   16.365 -30.91690 49.28170 
1 1 1  -15    8    1 o  229.390   10.448  659.885   59.848  623.488   83.177  698.956   86.179  221.950   15.097  235.125   14.752 -13.17500 21.10793 
1 1 1  -15    8    2 o  136.948   10.071  236.350   34.198  251.303   47.291  219.959   49.512  140.717   13.629  131.250   15.399 9.467178 20.56389 
1 1 1  -15    8    3 o  310.973   11.763  1213.79   91.343  1178.73  128.140  1250.00  130.243  305.156   16.881  314.329   16.652 -9.173126 23.71220 
1 1 1  -15    8    4 o  568.791   18.417  4090.48  261.586  4224.24  369.589  3956.22  370.288  574.602   25.757  555.581   26.690 19.02106 37.09142 
1 1 1  -15    8    5 o  224.898   10.354  634.012   58.152  676.974   81.436  589.311   83.067  231.577   14.150  215.756   15.521 15.82103 21.00320 
1 1 1  -15    8    6 o  135.975   9.9560  232.917   33.571  224.816   46.007  242.144   49.097  132.979   14.068  137.997   14.462 -5.018311 20.17585 
1 1 1  -15    8    7 o  161.881   10.057  329.655   40.455  349.566   56.043  307.989   58.459  166.217   13.621  155.676   15.233 10.54033 20.43473 
1 1 1  -15    8    8 o  141.537   9.9832  252.273   35.059  257.507   48.314  246.452   50.953  142.471   13.751  139.156   14.894 3.314468 20.27100 
1 1 1  -15    8    9 o  191.339   9.9702  460.028   47.474  463.519   65.874  456.255   68.477  191.505   13.869  189.874   14.553 1.631287 20.10285 
1 1 1  -15    8   10 o  343.212   12.429  1479.28  106.521  1450.41  150.098  1508.58  151.195  338.366   17.827  345.165   17.600 -6.798828 25.05075 
1 1 1  -15    8   11 o  122.956   10.356  190.867   31.501  197.337   43.438  183.689   45.749  124.445   14.234  119.741   15.676 4.704201 21.17435 
1 1 1  -15    8   12 o  182.495   9.8568  418.617   44.753  437.264   62.147  398.532   64.499  186.004   13.471  177.318   14.699 8.685623 19.93813 
1 1 1  -15    8   13 o  340.982   12.417  1460.66  105.733  1465.71  148.945  1455.54  150.120  340.085   17.599  338.841   17.804 1.243713 25.03384 
1 1 1  -15    8   14 o  387.999   13.994  1894.74  135.586  1871.48  191.074  1918.34  192.428  383.520   20.020  388.345   19.910 -4.824890 28.23484 
1 1 1  -15    8   15 o  140.048   10.210  247.252   35.462  239.897   48.900  255.411   51.505  137.267   14.484  141.629   14.780 -4.361862 20.69431 
1 1 1  -15    8   16 o  298.186   17.582  1128.63  130.341   0.0000   0.0000  1128.63  130.341  ?   ?   298.186   17.582 0.000000 17.58195 
1 1 1  -15    8   17 o  339.318   18.373  1462.85  155.103  1462.85  155.103   0.0000   0.0000  339.318   18.373  ?   ?  0.000000 18.37313 
1 1 1  -15    8   18 o  135.049   10.391  230.150   34.774  233.787   48.108  226.170   50.324  135.461   14.444  133.020   15.437 2.441208 21.14088 
1 1 1  -15    8   19 o  104.806   11.239  139.489   28.955  166.985   40.001  109.223   41.968  114.244   14.337   91.139   19.053 23.10485 23.84485 
1 1 1  -15    8   20 o  149.863   10.861  283.401   40.369  280.273   56.095  286.761   58.141  148.248   15.376  149.892   15.769 -1.644577 22.02502 
1 1 1  -15    8   21 o  182.608   11.668  420.680   52.928  487.674   85.336  378.797   67.473  195.442   17.676  172.465   15.844 22.97679 23.73769 
1 1 1  -15    8   22 o  272.612   15.941  942.205  108.051  899.847  143.991  996.798  163.469  264.586   21.992  277.905   23.784 -13.31967 32.39391 
1 1 1  -15    8   23 o  343.500   15.680  1490.67  134.500  1562.24  163.412  1340.35  236.825  350.297   18.749  319.558   30.030 30.73889 35.40204 
1 1 1  -15    8   24 o  111.117   11.504  156.791   31.458  136.454   42.772  180.757   46.431  102.436   17.339  118.526   16.104 -16.08920 23.66421 
1 1 1  -15    8   25 o  216.137   11.545  588.823   62.088  664.244   87.837  513.508   87.774  228.777   15.466  200.480   17.715 28.29645 23.51612 
1 1 1  -15    8   26 o  106.388   12.491  144.365   32.554  152.594   45.784  135.951   46.297  108.383   17.513  101.863   18.896 6.520851 25.76421 
1 1 1  -15    8   27 o  181.770   13.648  418.926   61.497  452.148  130.636  409.467   69.704  184.113   29.403  179.247   15.731 4.866501 33.34678 
1 1 1  -15    8   28 o  367.823   15.793  1712.94  145.064  1960.64  266.274  1608.40  172.990  387.128   27.727  354.592   19.612 32.53653 33.96259 
1 1 1  -15    8   29 o  167.024   14.274  355.060   58.965  460.795  135.546  330.380   65.485  185.013   30.394  160.534   16.574 24.47949 34.61900 
1 1 1  -15    8   30 o  253.141   17.431  819.718  109.519  770.118  180.858  848.437  137.620  239.300   30.993  255.887   21.743 -16.58652 37.85944 
1 1 1  -15    8   31 o  399.445   17.736  2038.48  176.914  1922.18  322.323  2088.62  211.644  374.742   34.843  401.903   21.163 -27.16092 40.76600 
1 1 1  -15    8   32 o  379.231   16.748  1838.12  158.602  1902.57  296.459  1812.28  187.726  373.453   32.101  374.133   20.168 -0.6793518 37.91059 
1 1 1  -15    8   33 o  193.319   14.285  478.243   68.473  310.348  161.704  514.925   75.584  143.255   42.290  200.309   15.224 -57.05447 44.94672 
1 1 1  -15    8   34 o  124.376   15.899  201.478   48.249  174.760  146.329  204.737   51.108  111.841   40.592  125.106   16.782 -13.26571 43.92456 
1 1 1  -15    8   35 o  131.328   15.813  225.068   50.816  161.750  151.046  233.149   53.962  108.084   40.864  133.426   16.551 -25.34225 44.08870 
1 1 1  -15    8   36 o   91.505   18.864  113.478   41.672   0.0000   0.0000  113.478   41.672  ?   ?    91.505   18.864 0.000000 18.86398 
1 1 1  -15    8   37 o  127.503   29.321  238.312   91.408  226.487  176.554  242.643  106.843  117.628   44.245  126.088   33.401 -8.460281 55.43694 
1 1 1  -15    8   38 o  157.274   15.351  324.375   59.523  319.580  188.941  324.903   62.716  132.411   46.333  156.966   16.235 -24.55464 49.09471 
1 1 1  -15    8   39 o  105.729   43.808  171.065  189.306  171.065  189.306   0.0000   0.0000  105.729   43.808  ?   ?  0.000000 43.80801 
1 1 1  -15    8   40 o  143.588   15.460  273.121   54.560  549.186  214.504  254.025   56.416  166.627   48.570  137.755   16.744 28.87268 51.37568 
1 1 1  -15    8   41 o  110.029   19.752  168.807   52.276  303.588  224.856  161.106   53.749  118.439   48.263  106.786   20.904 11.65284 52.59566 
1 1 1  -15    8   42 o   77.488   20.244   86.137   39.604 -17.6173  228.380   89.354   40.213   83.730   39.846   78.903   20.294 4.826424 44.71624 
1 1 1  -15    9    1 o  222.885   10.177  623.086   56.642  583.545   78.648  665.698   81.644  214.669   14.761  229.438   14.321 -14.76901 20.56661 
1 1 1  -15    9    2 o   88.680   12.239  100.648   26.380  125.139   35.475   70.350   39.456   98.578   14.873   73.387   20.656 25.19085 25.45408 
1 1 1  -15    9    3 o  131.563   10.263  218.363   33.452  205.449   45.899  232.995   48.857  126.868   14.764  135.221   14.706 -8.352684 20.83830 
1 1 1  -15    9    4 o  482.833   16.056  2941.40  193.586  2863.41  273.043  3020.24  274.506  473.770   23.079  486.792   22.582 -13.02188 32.28884 
1 1 1  -15    9    5 o  240.947   10.537  728.108   63.403  696.690   88.147  761.787   91.264  234.668   15.122  245.462   14.960 -10.79372 21.27207 
1 1 1  -15    9    6 o  171.117   9.8787  368.228   42.033  379.932   58.299  355.557   60.659  173.285   13.581  167.414   14.657 5.871277 19.98219 
1 1 1  -15    9    7 o  256.906   10.997  828.013   70.552  847.009   98.866  808.302  100.711  258.809   15.366  252.660   16.045 6.148544 22.21655 
1 1 1  -15    9    8 o  398.311   14.142  1996.55  140.664  2120.96  198.265  1870.45  199.601  409.122   19.406  383.204   20.938 25.91794 28.54805 
1 1 1  -15    9    9 o  375.749   13.303  1775.21  124.823  1835.38  175.882  1714.16  177.177  380.828   18.494  367.309   19.385 13.51941 26.79219 
1 1 1  -15    9   10 o  279.515   11.286  980.472   78.775  1087.53  110.844  871.218  111.975  293.397   15.181  262.061   17.206 31.33618 22.94587 
1 1 1  -15    9   11 o  251.086   10.956  790.985   68.693  848.005   96.421  732.214   97.889  259.016   14.971  240.317   16.410 18.69922 22.21285 
1 1 1  -15    9   12 o  155.499   10.018  304.397   38.693  289.491   53.342  320.948   56.210  150.972   14.320  159.033   14.307 -8.060883 20.24252 
1 1 1  -15    9   13 o  186.743   10.362  438.704   48.131  437.019   66.953  440.505   69.240  185.710   14.554  186.369   15.005 -0.6589203 20.90347 
1 1 1  -15    9   14 o  415.403   14.621  2174.16  151.673  2229.48  214.078  2118.40  214.920  418.849   20.467  407.509   21.193 11.33997 29.46278 
1 1 1  -15    9   15 o  369.106   15.615  1719.00  143.923  1628.82  250.977  1763.19  175.679  353.925   28.642  372.444   18.952 -18.51846 34.34465 
1 1 1  -15    9   16 o  260.795   13.320  858.015   86.459  855.911  102.756  863.117  159.987  259.909   15.908  258.248   25.127 1.661438 29.73929 
1 1 1  -15    9   17 o  195.739   10.579  482.154   51.517  523.295   71.978  438.943   73.768  203.314   14.267  185.761   16.060 17.55240 21.48226 
1 1 1  -15    9   18 o  310.877   12.314  1214.99   95.595  1229.30  134.419  1200.35  135.977  311.189   17.367  307.367   17.792 3.821930 24.86269 
1 1 1  -15    9   19 o  112.137   10.927  159.341   30.209  145.823   41.569  174.471   43.977  106.266   16.175  116.580   15.490 -10.31337 22.39571 
1 1 1  -15    9   20 o  177.026   10.373  394.579   45.657  361.860   63.669  429.216   65.507  168.653   15.284  183.978   14.373 -15.32507 20.97993 
1 1 1  -15    9   21 o  327.829   15.067  1356.29  123.344  1660.09  209.363  1194.79  152.648  359.279   23.464  305.809   20.101 53.47031 30.89699 
1 1 1  -15    9   22 o  185.642   15.666  438.325   71.947  537.770   92.886  289.183  113.752  205.117   18.327  146.045   32.069 59.07188 36.93620 
1 1 1  -15    9   23 o  129.344   14.757  213.735   46.811  245.861   54.108  118.133   93.339  138.600   15.922   97.062   32.609 41.53786 36.28837 
1 1 1  -15    9   24 o  202.729   10.837  517.579   54.666  506.896   76.650  528.637   77.985  199.731   15.489  204.010   15.422 -4.279007 21.85717 
1 1 1  -15    9   25 o   98.628   12.705  124.417   30.564  114.777   41.670  135.644   44.967   93.505   18.501  101.884   18.349 -8.378593 26.05700 
1 1 1  -15    9   26 o  157.946   10.720  314.765   42.033  279.792   58.470  352.168   60.467  147.865   16.095  166.384   14.704 -18.51884 21.80050 
1 1 1  -15    9   27 o  165.699   10.804  346.405   44.461  326.385   61.993  367.610   63.801  159.879   15.731  169.882   15.200 -10.00259 21.87497 
1 1 1  -15    9   28 o  207.786   14.095  547.537   72.703  635.331  150.025  520.592   83.114  219.228   28.047  201.971   16.627 17.25668 32.60523 
1 1 1  -15    9   29 f  310.809   15.125  1222.82  117.390  1145.98  220.526  1253.20  138.669  293.498   30.536  313.354   17.795 -19.85587 35.34234 
1 1 1  -15    9   30 o  274.264   17.030  960.615  116.059  1081.10  190.624  889.648  146.300  286.379   26.973  261.680   22.610 24.69943 35.19637 
1 1 1  -15    9   31 o  317.307   19.254  1295.83  151.845  1191.18  237.249  1368.44  197.624  296.098   32.628  323.058   24.684 -26.95975 40.91275 
1 1 1  -15    9   32 o  407.631   17.409  2127.49  177.209  2174.87  325.941  2107.61  211.142  398.482   33.054  402.930   21.057 -4.447540 39.19125 
1 1 1  -15    9   33 o  257.320   14.550  846.025   93.110  890.639  195.568  832.948  105.880  253.886   31.525  254.374   16.762 -0.4876862 35.70443 
1 1 1  -15    9   34 o  139.289   15.600  251.537   53.331  252.292  146.487  251.421   57.261  129.159   40.684  138.831   16.863 -9.672318 44.04024 
1 1 1  -15    9   35 o  106.220   16.902  149.119   43.331  253.634  149.619  139.551   45.271  127.696   41.212  102.178   18.420 25.51812 45.14154 
1 1 1  -15    9   36 o   69.930   19.349   66.369   34.931  334.421  159.599   52.883   35.799  143.469   41.917   63.420   20.127 80.04919 46.49901 
1 1 1  -15    9   37 o   97.477   34.495  137.527  104.946   0.0000   0.0000  137.527  104.946  ?   ?    97.477   34.495 0.000000 34.49509 
1 1 1  -15    9   38 o   90.722   19.433  113.096   42.699   0.0000   0.0000  113.096   42.699  ?   ?    90.722   19.433 0.000000 19.43318 
1 1 1  -15    9   39 o  126.799   16.015  213.267   49.580  288.688  195.048  208.057   51.264  124.708   46.584  124.824   16.879 -0.1158371 49.54747 
1 1 1  -15    9   40 o   64.023   20.023   55.874   35.553   60.482  198.671   55.721   36.136   91.628   41.262   63.999   20.212 27.62931 45.94621 
1 1 1  -15    9   41 o  155.284   15.943  321.496   60.943  473.418  235.795  310.621   63.087  143.662   51.613  152.024   16.904 -8.361679 54.31077 
1 1 1  -15    9   42 o   95.000   20.789  129.094   47.949  281.216  234.684  122.467   48.982  112.044   47.731   92.002   21.676 20.04218 52.42230 
1 1 1  -15   10    1 o  214.258   10.060  575.938   53.823  523.609   74.209  634.018   78.181  203.223   14.723  223.864   14.056 -20.64098 20.35534 
1 1 1  -15   10    2 o  228.066   10.140  652.534   57.751  624.074   80.103  683.341   83.339  222.024   14.528  232.389   14.432 -10.36551 20.47795 
1 1 1  -15   10    3 o  252.327   10.401  798.856   65.537  778.822   91.323  820.130   94.107  248.095   14.808  254.598   14.866 -6.503296 20.98310 
1 1 1  -15   10    4 o  212.920   10.299  568.710   54.760  527.497   75.877  613.511   79.110  203.992   15.000  220.186   14.468 -16.19371 20.84087 
1 1 1  -15   10    5 o  207.988   10.080  542.521   52.352  525.744   72.647  560.647   75.509  203.793   14.367  210.463   14.455 -6.669998 20.38029 
1 1 1  -15   10    6 o  302.740   11.607  1150.98   87.750  1123.81  122.884  1179.25  125.347  297.807   16.590  305.107   16.513 -7.299927 23.40739 
1 1 1  -15   10    7 o  283.139   11.401  1006.52   80.612  995.047  113.053  1018.38  114.977  280.279   16.222  283.534   16.308 -3.255768 23.00186 
1 1 1  -15   10    8 o  285.969   11.697  1027.01   83.534  1156.15  117.562  895.325  118.715  302.342   15.624  265.371   18.021 36.97104 23.85133 
1 1 1  -15   10    9 o  155.795   10.091  305.625   39.048  293.107   53.328  320.097   57.336  151.917   14.223  158.740   14.629 -6.823776 20.40291 
1 1 1  -15   10   10 o  324.727   12.339  1325.15  100.054  1404.37  141.153  1245.15  141.846  332.903   17.036  313.077   18.222 19.82642 24.94562 
1 1 1  -15   10   11 o  403.026   14.065  2045.29  141.554  2156.57  199.610  1932.71  200.769  412.288   19.388  389.346   20.724 22.94211 28.37926 
1 1 1  -15   10   12 o  202.620   9.7443  514.715   49.304  555.177   68.715  471.779   70.785  209.673   13.191  192.920   14.806 16.75284 19.82975 
1 1 1  -15   10   13 o  153.108   10.338  295.381   39.295  304.898   54.651  285.195   56.542  154.938   14.286  149.605   15.352 5.333084 20.97085 
1 1 1  -15   10   14 o  262.405   11.269  864.556   73.840  856.756  103.245  872.722  105.648  260.015   15.978  262.380   16.204 -2.365295 22.75654 
1 1 1  -15   10   15 o  365.624   15.806  1687.74  144.316  1839.14  246.807  1609.08  177.898  377.148   26.372  355.247   20.136 21.90067 33.18031 
1 1 1  -15   10   16 o  218.243   11.164  599.592   60.642  635.560   84.612  561.603   86.956  223.945   15.220  210.122   16.710 13.82242 22.60291 
1 1 1  -15   10   17 o  171.949   10.185  372.197   43.537  367.311   60.272  377.527   62.958  170.135   14.320  172.415   14.765 -2.279724 20.56841 
1 1 1  -15   10   18 o  450.871   15.831  2567.65  178.244  2567.16  251.430  2568.15  252.724  447.662   22.564  447.690   22.680 -0.2774048E-01 31.99225 
1 1 1  -15   10   19 o  107.677   11.369  147.234   30.108  116.854   40.650  184.149   44.810   94.541   17.873  119.844   15.324 -25.30331 23.54298 
1 1 1  -15   10   20 o  274.311   12.002  945.940   82.212  956.156  115.965  935.617  116.567  274.347   17.011  271.296   17.296 3.051392 24.25957 
1 1 1  -15   10   21 o  239.486   16.296  728.433   96.879  838.344  128.991  586.205  146.734  255.833   20.359  210.901   28.599 44.93179 35.10554 
1 1 1  -15   10   22 o  214.915   15.698  586.557   83.668  647.255  108.827  498.823  130.838  224.805   19.581  194.579   27.710 30.22586 33.93016 
1 1 1  -15   10   23 o  117.841   14.269  177.589   41.133  173.244   45.971  195.033   92.111  115.946   16.330  120.003   30.633 -4.056770 34.71387 
1 1 1  -15   10   24 o  222.375   11.727  623.358   64.890  602.949   90.990  644.481   92.566  217.585   16.878  225.069   16.587 -7.484085 23.66411 
1 1 1  -15   10   25 o  114.893   11.923  167.757   33.710  145.075   45.782  194.619   49.821  105.516   18.022  122.910   16.662 -17.39371 24.54378 
1 1 1  -15   10   26 o  105.962   12.588  143.294   32.658  120.731   44.189  170.449   48.478   95.797   19.142  114.679   17.481 -18.88245 25.92277 
1 1 1  -15   10   27 o  225.203   10.621  637.114   59.730  570.482   83.969  705.362   84.982  211.709   16.001  235.911   14.496 -24.20215 21.59060 
1 1 1  -15   10   28 o  398.988   14.352  2010.97  142.995  1933.93  202.398  2087.74  202.054  388.211   20.956  404.326   20.012 -16.11502 28.97596 
1 1 1  -15   10   29 o  190.311   14.901  461.016   70.250  379.220  143.347  486.870   80.592  165.228   35.778  195.139   16.699 -29.91061 39.48354 
1 1 1  -15   10   30 o  171.729   17.618  379.492   74.484  330.763  139.315  398.996   88.138  153.204   36.862  175.228   20.532 -22.02368 42.19450 
1 1 1  -15   10   31 o  174.246   16.384  389.851   70.454  590.110  148.135  331.311   80.092  209.274   29.137  159.196   20.632 50.07755 35.70184 
1 1 1  -15   10   32 o  304.177   15.702  1182.19  118.860  1298.79  231.061  1140.24  138.605  309.643   30.269  297.271   18.768 12.37183 35.61559 
1 1 1  -15   10   33 o  276.037   14.478  973.020   99.454  1114.42  204.923  929.452  113.749  286.254   29.071  268.620   17.046 17.63376 33.69958 
1 1 1  -15   10   34 o  215.994   14.958  599.420   80.184  538.714  177.707  614.939   89.851  190.444   38.687  218.069   16.625 -27.62511 42.10774 
1 1 1  -15   10   35 o  167.404   16.699  365.304   68.877   0.0000   0.0000  365.304   68.877  ?   ?   167.404   16.699 0.000000 16.69914 
1 1 1  -15   10   36 o  164.341   15.275  351.058   61.971  366.974  169.914  348.616   66.556  149.505   43.128  163.208   16.560 -13.70277 46.19764 
1 1 1  -15   10   37 o   83.583   20.069   96.165   41.359   0.0000   0.0000   96.165   41.359  ?   ?    83.583   20.069 0.000000 20.06861 
1 1 1  -15   10   38 o   79.280   37.155 -74.3769  185.086 -74.3769  185.086   0.0000   0.0000   79.280   37.155  ?   ?  0.000000 37.15532 
1 1 1  -15   10   39 o  156.617   15.990  323.675   61.660  405.959  206.374  315.609   64.612  145.123   48.489  154.061   17.082 -8.937912 51.40958 
1 1 1  -15   10   40 o   78.473   20.028   86.206   39.379 -66.5532  200.262   92.350   40.163   80.653   38.063   81.253   19.942 -0.5999680 42.97035 
1 1 1  -15   10   41 o  139.791   15.926  260.743   54.601  560.820  231.915  243.134   56.180  160.876   51.246  134.265   17.148 26.61098 54.03860 
1 1 1  -15   10   42 o  104.257   18.791  151.223   47.122  141.402  238.513  151.622   48.069   98.228   44.625  104.183   19.183 -5.955177 48.57351 
1 1 1  -15   11    1 o   71.791   19.588   67.727   36.094   74.711   43.241   51.682   65.542   75.561   21.745   71.918   26.976 3.642815 34.64912 
1 1 1  -15   11    2 o  109.300   11.203  151.634   30.147  150.432   40.862  153.070   44.658  108.041   15.597  108.700   17.010 -0.6580048 23.07818 
1 1 1  -15   11    3 o  409.497   14.018  2113.75  143.351  1982.84  201.399  2248.17  204.087  393.979   20.542  420.485   19.436 -26.50601 28.27965 
1 1 1  -15   11    4 o  264.795   10.906  880.435   72.116  819.981  100.367  944.955  103.687  254.261   15.887  273.176   15.261 -18.91536 22.02917 
1 1 1  -15   11    5 o  302.224   11.824  1147.94   89.239  1147.46  125.327  1148.44  127.099  300.726   16.755  300.789   16.991 -0.6259155E-01 23.86252 
1 1 1  -15   11    6 o   89.156   12.260  101.773   26.573  100.252   36.035  103.585   39.343   87.559   17.094   88.814   18.346 -1.255737 25.07597 
1 1 1  -15   11    7 o  136.545   10.274  235.223   34.775  210.199   47.298  264.664   51.303  128.234   15.057  144.205   14.441 -15.97038 20.86264 
1 1 1  -15   11    8 o  283.913   11.546  1012.54   81.860  1081.97  115.132  941.567  116.415  292.297   15.832  272.261   17.211 20.03668 23.38564 
1 1 1  -15   11    9 o  239.734   10.805  721.384   64.686  783.125   90.471  656.813   92.522  248.821   14.625  227.407   16.403 21.41483 21.97574 
1 1 1  -15   11   10 o  287.428   11.744  1037.95   84.292  1144.10  118.236  928.250  120.201  300.612   15.806  270.139   17.920 30.47263 23.89484 
1 1 1  -15   11   11 o  225.255   10.491  636.688   59.012  674.918   82.207  596.044   84.763  230.995   14.322  216.719   15.771 14.27629 21.30337 
1 1 1  -15   11   12 o  258.431   11.450  838.854   73.895  903.145  103.744  772.644  105.280  267.031   15.626  246.532   17.209 20.49869 23.24479 
1 1 1  -15   11   13 o  224.408   10.449  631.906   58.553  655.147   81.625  607.267   84.041  227.542   14.440  218.815   15.480 8.726532 21.16956 
1 1 1  -15   11   14 o  181.061   14.918  416.215   66.851   0.0000   0.0000  416.215   66.851  ?   ?   181.061   14.918 0.000000 14.91811 
1 1 1  -15   11   15 o  125.974   14.559  202.665   44.955  202.665   44.955   0.0000   0.0000  125.974   14.559  ?   ?  0.000000 14.55869 
1 1 1  -15   11   16 o  327.310   12.602  1347.54  103.006  1370.67  144.618  1323.71  146.748  328.482   17.696  322.603   18.291 5.879791 25.45012 
1 1 1  -15   11   17 o  152.296   10.489  292.456   39.649  288.374   54.584  297.016   57.690  150.514   14.710  152.650   15.342 -2.135056 21.25468 
1 1 1  -15   11   18 o  326.915   13.126  1345.31  107.154  1405.85  150.765  1283.50  152.324  332.467   18.229  317.268   19.318 15.19955 26.56086 
1 1 1  -15   11   19 o   90.841   12.754  105.819   28.135  109.251   38.411  101.846   41.327   91.408   17.464   87.870   19.357 3.538429 26.07076 
1 1 1  -15   11   20 o  205.345   12.120  532.029   61.874  554.406   99.252  517.804   79.133  208.006   19.329  201.830   15.828 6.175598 24.98241 
1 1 1  -15   11   21 o  129.524   16.619  215.602   52.513  290.057   63.607   56.230   93.060  150.393   17.248   81.040   31.697 69.35386 36.08640 
1 1 1  -15   11   22 o  137.381   15.495  241.333   52.228  251.756   62.323  216.746   95.720  139.725   18.302  126.471   30.633 13.25438 35.68348 
1 1 1  -15   11   23 o  168.334   11.207  357.558   46.839  347.305   64.778  368.792   67.806  165.010   15.918  170.025   16.164 -5.015732 22.68634 
1 1 1  -15   11   24 o  133.199   11.605  224.688   38.215  228.382   52.470  220.515   55.769  133.454   16.068  130.778   17.517 2.675858 23.76986 
1 1 1  -15   11   25 o  246.916   11.376  766.330   70.146  738.384   98.504  795.082   99.914  240.959   16.469  250.183   16.078 -9.223892 23.01574 
1 1 1  -15   11   26 o  240.383   11.444  726.511   68.696  802.413   96.919  649.880   97.383  251.443   15.511  225.692   17.413 25.75153 23.32009 
1 1 1  -15   11   27 o  189.434   11.335  452.807   53.376  441.482   74.122  465.004   76.926  186.047   16.113  190.930   16.290 -4.882660 22.91299 
1 1 1  -15   11   28 o  193.147   11.286  470.794   54.196  425.369   75.985  517.833   77.323  182.338   16.879  201.690   15.470 -19.35219 22.89618 
1 1 1  -15   11   29 o  277.620   12.480  971.615   86.522  975.845  122.490  967.403  122.231  276.307   17.848  275.089   17.891 1.218170 25.27094 
1 1 1  -15   11   30 o   64.933   20.877   53.121   38.423   37.039  112.519   55.243   40.880   81.605   33.790   66.358   21.554 15.24706 40.07936 
1 1 1  -15   11   31 o  223.041   17.302  638.740   95.611  561.993  163.012  678.987  118.048  201.720   33.539  228.584   20.912 -26.86409 39.52420 
1 1 1  -15   11   32 o  191.825   14.534  470.259   69.106  490.035  152.304  465.132   77.548  187.029   33.856  190.145   16.495 -3.116226 37.66104 
1 1 1  -15   11   33 o  218.580   21.404  628.103  115.332  567.605  174.675  674.862  153.564  198.639   36.561  222.677   28.252 -24.03827 46.20482 
1 1 1  -15   11   34 o  162.049   15.474  339.332   61.855  366.401  157.492  334.394   67.260  155.110   40.296  160.278   17.067 -5.168701 43.76146 
1 1 1  -15   11   35 o  257.530   14.664  852.997   93.913  1078.48  209.230  796.109  105.094  276.757   30.797  247.466   17.111 29.29059 35.23117 
1 1 1  -15   11   36 o  159.909   15.819  333.451   62.339  173.002  165.990  359.798   67.263  109.886   42.512  165.876   16.455 -55.99036 45.58599 
1 1 1  -15   11   37 o  225.277   16.578  664.132   92.603   0.0000   0.0000  664.132   92.603  ?   ?   225.277   16.578 0.000000 16.57756 
1 1 1  -15   11   38 o   65.309   29.604 -24.9001  104.240   0.0000   0.0000 -24.9001  104.240  ?   ?    65.309   29.604 0.000000 29.60433 
1 1 1  -15   11   39 o  148.872   16.362  293.340   59.822  215.145  197.209  301.265   62.781  113.281   45.543  150.561   16.995 -37.27983 48.61046 
1 1 1  -15   11   40 o  133.006   16.718  236.344   54.299  316.737  210.078  230.589   56.209  126.454   48.100  130.880   17.648 -4.425392 51.23585 
1 1 1  -15   11   41 o  137.441   17.041  254.211   57.233  415.660  228.430  243.397   59.119  136.862   50.553  133.813   18.161 3.048981 53.71599 
1 1 1  -15   11   42 o   93.524   19.857  123.527   44.942 -40.2097  238.240  129.569   45.764   84.530   40.356   95.888   19.769 -11.35738 44.93805 
1 1 1  -15   12    1 o  228.617   10.421  656.422   59.495  639.920   82.242  674.540   86.174  224.604   14.745  230.549   15.050 -5.944962 21.06969 
1 1 1  -15   12    2 o  175.020   14.181  388.988   61.446  288.042   78.684  546.773   98.372  148.557   21.864  206.388   19.311 -57.83101 29.17123 
1 1 1  -15   12    3 o   99.641   17.838  129.640   42.755  165.499   52.619   59.963   73.348  112.522   19.429   76.486   28.567 36.03576 34.54821 
1 1 1  -15   12    4 o  137.054   15.273  240.138   51.382  239.456   64.729  241.300   84.484  135.838   19.653  134.614   26.074 1.223770 32.65140 
1 1 1  -15   12    5 o  282.058   13.159  1001.95   92.683  971.891  156.152  1018.29  115.162  274.505   22.991  283.237   16.352 -8.732178 28.21303 
1 1 1  -15   12    6 o  386.945   13.526  1886.33  130.699  1867.30  183.726  1905.83  185.966  382.768   19.283  387.175   19.234 -4.407349 27.23606 
1 1 1  -15   12    7 o  376.928   13.227  1789.05  124.497  1708.73  174.807  1871.73  177.352  366.193   19.183  383.993   18.495 -17.79974 26.64682 
1 1 1  -15   12    8 o  285.263   11.267  1022.26   80.259  971.211  111.912  1076.33  115.166  276.677   16.269  291.418   15.885 -14.74060 22.73837 
1 1 1  -15   12    9 o  140.264   10.484  248.296   36.457  281.328   50.163  211.315   53.076  148.835   13.649  128.136   17.008 20.69884 21.80708 
1 1 1  -15   12   10 o  348.497   12.832  1528.32  111.672  1506.55  156.859  1550.69  159.019  344.156   18.318  349.181   18.300 -5.025208 25.89291 
1 1 1  -15   12   11 o  196.485   10.420  485.861   50.943  556.855   70.774  409.533   73.385  209.839   13.579  179.203   16.587 30.63594 21.43624 
1 1 1  -15   12   12 o  340.882   12.790  1462.14  108.870  1494.72  152.861  1428.60  155.094  342.945   17.912  335.018   18.612 7.926819 25.83071 
1 1 1  -15   12   13 o  339.925   12.687  1453.79  107.698  1538.85  152.008  1368.05  152.610  348.104   17.543  327.779   18.722 20.32437 25.65694 
1 1 1  -15   12   14 o  420.328   14.499  2228.08  152.184  2268.86  214.172  2186.49  216.283  422.143   20.317  413.638   21.008 8.505127 29.22491 
1 1 1  -15   12   15 o  212.745   10.559  568.136   56.094  580.349   77.850  554.947   80.897  214.008   14.655  209.044   15.609 4.965012 21.41116 
1 1 1  -15   12   16 o  220.438   10.853  610.167   59.741  633.952   83.251  584.914   85.780  223.636   14.994  214.517   16.131 9.119690 22.02345 
1 1 1  -15   12   17 o  336.700   12.854  1426.80  108.076  1416.40  151.730  1437.52  153.981  333.646   18.281  336.084   18.417 -2.438568 25.94954 
1 1 1  -15   12   18 o  186.174   10.752  436.633   49.773  444.974   69.337  427.765   71.492  187.185   14.958  183.335   15.769 3.850357 21.73515 
1 1 1  -15   12   19 o   96.449   13.442  119.373   31.496   65.119   44.382  174.416   44.704   71.542   22.371  116.462   15.777 -44.92000 27.37496 
1 1 1  -15   12   20 o  283.118   17.968  1020.59  126.375  1255.80  171.397  740.377  187.072  312.684   22.093  235.522   32.689 77.16164 39.45422 
1 1 1  -15   12   21 o  107.916   17.186  151.018   44.760  163.532   51.715  113.657   89.359  111.936   19.192   95.183   31.906 16.75318 37.23353 
1 1 1  -15   12   22 o  177.257   13.413  398.029   58.933  415.678   68.340  346.833  116.394  180.786   15.281  160.770   30.098 20.01610 33.75488 
1 1 1  -15   12   23 o  339.141   12.735  1447.88  107.854  1439.99  151.498  1455.99  153.579  336.359   18.103  338.174   18.254 -1.815216 25.70849 
1 1 1  -15   12   24 o  200.556   11.218  507.018   55.959  513.781   78.160  499.906   80.153  200.992   15.697  198.088   16.350 2.903748 22.66509 
1 1 1  -15   12   25 o  133.904   11.811  227.236   39.090  242.055   53.637  210.449   57.087  137.437   15.923  127.436   18.478 10.00151 24.39218 
1 1 1  -15   12   26 o  120.090   11.684  183.074   34.596  136.747   46.625  239.828   51.605  102.108   18.984  136.896   15.361 -34.78852 24.42029 
1 1 1  -15   12   27 o  234.454   11.687  691.602   68.427  662.864   95.975  721.313   97.585  227.972   16.981  237.990   16.522 -10.01860 23.69240 
1 1 1  -15   12   28 o  164.422   11.626  341.910   47.429  362.337   65.651  319.609   68.594  168.405   15.796  157.593   17.739 10.81207 23.75199 
1 1 1  -15   12   29 o  258.168   11.962  839.763   77.118  840.599  108.757  838.918  109.368  256.567   17.072  256.270   17.190 0.2975159 24.22690 
1 1 1  -15   12   30 o  138.155   12.329  242.679   42.088  267.567   58.467  215.910   60.636  144.135   16.544  128.475   19.514 15.65981 25.58274 
1 1 1  -15   12   31 o  238.257   17.497  729.227  103.376  651.886  172.570  772.514  129.104  217.807   32.741  243.587   21.443 -25.77997 39.13783 
1 1 1  -15   12   32 o  167.955   15.099  361.941   62.650  294.091  141.456  378.498   69.878  141.829   38.812  171.335   16.538 -29.50529 42.18807 
1 1 1  -15   12   33 o  240.700   15.251  742.757   91.195  583.591  182.408  795.799  105.299  200.338   37.848  248.366   17.082 -48.02843 41.52425 
1 1 1  -15   12   34 o  268.940   15.286  929.461  102.234  965.803  205.872  917.566  117.783  262.112   32.125  265.850   17.845 -3.738159 36.74909 
1 1 1  -15   12   35 o  305.016   16.225  1203.55  123.139  1104.37  241.429  1238.42  143.160  274.322   36.122  307.657   18.723 -33.33551 40.68589 
1 1 1  -15   12   36 o   77.746   30.838   61.731   89.204  147.221  155.305   19.641  108.973  104.406   40.917   74.380   32.118 30.02660 52.01710 
1 1 1  -15   12   37 o   98.782   41.141  112.496  168.193  112.496  168.193   0.0000   0.0000   98.782   41.141  ?   ?  0.000000 41.14117 
1 1 1  -15   12   38 o  214.393   16.458  603.513   87.440   0.0000   0.0000  603.513   87.440  ?   ?   214.393   16.458 0.000000 16.45796 
1 1 1  -15   12   39 o  109.350   34.935  188.525  107.718   52.423  210.373  236.887  125.404   94.203   42.437  120.311   37.601 -26.10767 56.69881 
1 1 1  -15   12   40 o   59.138   20.329   44.873   36.294  247.984  202.135   38.106   36.894  116.203   46.318   56.380   20.395 59.82299 50.60894 
1 1 1  -15   12   41 o   78.532   21.255   87.682   42.701  105.315  217.406   86.975   43.550   96.681   43.382   78.138   21.598 18.54366 48.46087 
1 1 1  -15   12   42 o   76.451   21.252   83.868   42.039  -5.3520  229.954   86.953   42.759   86.218   40.719   77.778   21.361 8.440643 45.98193 
1 1 1  -15   13    1 o  200.085   10.283  504.198   51.203  504.244   70.246  504.145   74.791  199.322   14.206  199.078   15.158 0.2439728 20.77457 
1 1 1  -15   13    2 o  102.571   11.563  133.986   29.100  144.588   38.904  120.521   43.844  105.903   15.142   95.678   19.020 10.22465 24.31141 
1 1 1  -15   13    3 o  140.972   10.369  250.930   36.246  271.106   49.153  226.881   53.663  145.990   13.641  132.827   16.536 13.16339 21.43658 
1 1 1  -15   13    4 o  249.191   10.720  780.144   66.710  771.216   92.551  789.798   96.242  246.568   15.104  249.421   15.529 -2.853867 21.66288 
1 1 1  -15   13    5 o   99.191   14.679  126.842   35.261  108.352   39.815  194.094   75.933   90.813   18.191  120.375   26.019 -29.56243 31.74759 
1 1 1  -15   13    6 o  322.953   17.692  1327.34  142.135  1332.45  195.514  1321.61  206.996  320.786   24.594  318.690   26.243 2.096283 35.96656 
1 1 1  -15   13    7 o  169.332   15.226  365.109   63.696  421.295   83.008  284.647   99.334  181.175   18.612  145.766   28.310 35.40854 33.87966 
1 1 1  -15   13    8 o  245.355   15.333  763.515   93.476  708.611  125.246  832.554  140.447  234.521   21.630  254.094   22.362 -19.57358 31.11139 
1 1 1  -15   13    9 o  155.665   14.890  308.639   57.176  287.521   71.628  345.724   94.921  149.072   19.726  162.419   24.137 -13.34760 31.17229 
1 1 1  -15   13   10 o  295.613   13.682  1101.36  101.000  1123.77  170.126  1089.16  125.513  295.178   23.269  292.685   17.249 2.493103 28.96465 
1 1 1  -15   13   11 o  446.530   15.086  2517.85  168.221  2455.75  236.806  2581.11  239.009  438.395   21.631  449.607   21.288 -11.21213 30.34912 
1 1 1  -15   13   12 o  315.113   12.318  1249.17   96.928  1313.60  136.145  1182.94  138.028  321.616   17.012  304.777   18.219 16.83969 24.92690 
1 1 1  -15   13   13 o  214.137   12.365  578.762   65.838  599.490  108.846  566.802   82.678  215.991   20.422  211.189   15.791 4.801697 25.81563 
1 1 1  -15   13   14 o  128.928   11.973  210.780   38.107  218.680   47.149  195.897   64.713  130.849   14.683  122.045   22.045 8.804230 26.48696 
1 1 1  -15   13   15 o  275.995   11.007  956.819   75.858  972.106  106.592  941.131  107.981  276.967   15.473  272.382   15.945 4.585815 22.21848 
1 1 1  -15   13   16 o  290.826   13.891  1066.21  100.882  1206.97  169.907  989.563  125.373  306.365   22.363  278.694   18.113 27.67111 28.77822 
1 1 1  -15   13   17 o  130.567   15.944  218.625   50.905  225.358   61.075  203.307   92.126  131.861   19.105  122.499   30.287 9.361847 35.80906 
1 1 1  -15   13   18 o  139.472   16.258  249.279   55.561  285.533   66.980  169.293   99.488  148.895   18.406  112.228   33.183 36.66703 37.94561 
1 1 1  -15   13   19 f  384.107   20.316  1885.17  194.175  2008.79  267.479  1747.44  282.334  392.908   27.434  364.085   31.359 28.82291 41.66550 
1 1 1  -15   13   20 o  221.373   15.954  622.792   87.606  668.324  113.314  555.138  138.124  228.225   20.087  205.328   27.641 22.89728 34.16859 
1 1 1  -15   13   21 o  127.270   14.509  206.956   45.289  232.478   51.129  113.998   97.580  134.787   15.471   96.436   33.322 38.35069 36.73843 
1 1 1  -15   13   22 o  201.546   10.916  511.744   54.737  526.066   76.061  496.360   78.834  203.546   15.071  197.443   16.130 6.102814 22.07516 
1 1 1  -15   13   23 o  284.354   11.856  1016.94   84.189  1063.18  118.004  968.999  120.146  289.350   16.399  275.862   17.532 13.48862 24.00600 
1 1 1  -15   13   24 o  177.525   11.396  397.788   50.255  381.368   69.376  415.918   72.897  172.833   16.266  180.537   16.347 -7.703278 23.06048 
1 1 1  -15   13   25 o  193.035   10.905  469.704   52.352  420.444   72.107  524.616   76.130  181.562   16.070  203.191   15.112 -21.62926 22.05920 
1 1 1  -15   13   26 o  251.295   11.452  794.210   71.866  730.899  100.411  860.700  102.901  239.489   16.898  260.265   15.909 -20.77618 23.20876 
1 1 1  -15   13   27 o  341.318   13.063  1468.92  111.344  1491.86  157.396  1445.94  157.533  341.828   18.508  336.381   18.829 5.447174 26.40241 
1 1 1  -15   13   28 o  213.244   11.549  574.029   61.272  489.181   84.859  666.449   88.564  195.355   17.583  228.833   15.591 -33.47789 23.50028 
1 1 1  -15   13   29 o  155.307   11.673  305.524   44.942  298.892   61.609  313.067   65.702  152.538   16.433  155.962   17.153 -3.424133 23.75473 
1 1 1  -15   13   30 o   95.631   13.565  117.902   31.487  134.008   41.773   96.711   47.916  101.225   17.137   84.959   22.302 16.26544 28.12583 
1 1 1  -15   13   31 o  171.793   16.915  380.326   71.626  432.114  140.534  362.153   83.250  176.178   33.160  166.411   20.464 9.766495 38.96654 
1 1 1  -15   13   32 o   94.132   21.355  119.419   49.046   69.501  124.684  128.557   53.346   89.427   36.121   97.477   22.387 -8.049355 42.49607 
1 1 1  -15   13   33 o  179.732   15.440  415.901   68.627  331.782  149.081  438.519   77.305  148.886   39.461  184.005   17.017 -35.11966 42.97386 
1 1 1  -15   13   34 o  196.941   16.246  501.983   79.186  240.281  168.848  575.770   89.657  125.686   43.810  210.567   17.201 -84.88085 47.06569 
1 1 1  -15   13   35 o  137.901   17.638  250.470   59.348 -39.5721  146.950  306.999   64.874   76.637   34.898  153.014   17.281 -76.37680 38.94191 
1 1 1  -15   13   36 o  141.105   17.864  263.558   61.536   0.0000   0.0000  263.558   61.536  ?   ?   141.105   17.864 0.000000 17.86381 
1 1 1  -15   13   37 o  138.323   17.587  253.988   59.374  223.695  170.677  258.159   63.329  117.476   43.637  138.932   18.731 -21.45512 47.48699 
1 1 1  -15   13   38 o  206.180   16.971  560.208   86.600  354.779  206.505  604.044   95.394  137.926   48.429  213.405   18.070 -75.47902 51.68994 
1 1 1  -15   13   39 o  110.788   37.620  198.292  124.244   0.0000   0.0000  198.292  124.244  ?   ?   110.788   37.620 0.000000 37.61982 
1 1 1  -15   13   40 o   89.519   34.296  113.067  107.283  191.421  211.898   86.060  124.406  108.360   45.720   86.066   35.575 22.29459 57.93048 
1 1 1  -15   13   41 o   59.369   20.662   45.387   37.552 -105.2796  214.377   50.157   38.141   78.977   37.860   61.542   20.844 17.43456 43.21831 
1 1 1  -15   13   42 o   91.620   20.758  119.680   46.393  160.993  239.601  118.071   47.288  100.826   45.367   90.750   21.242 10.07609 50.09380 
1 1 1  -15   14    1 o  325.999   12.258  1339.05   99.792  1301.06  139.240  1379.17  143.094  319.385   17.525  328.874   17.487 -9.489105 24.75705 
1 1 1  -15   14    2 o  126.658   10.776  203.115   33.760  200.053   45.115  207.011   50.895  124.942   14.744  126.733   16.471 -1.791786 22.10592 
1 1 1  -15   14    3 o  375.268   13.532  1777.14  126.815  1853.39  178.093  1698.70  180.620  381.405   18.699  364.140   19.939 17.26480 27.33489 
1 1 1  -15   14    4 o  210.479   10.350  556.538   54.401  565.192   74.953  546.904   79.081  211.058   14.306  207.341   15.383 3.716400 21.00693 
1 1 1  -15   14    5 o  216.266   10.498  587.595   56.693  597.392   78.091  576.679   82.436  216.990   14.495  212.907   15.614 4.082703 21.30497 
1 1 1  -15   14    6 o  177.325   10.179  396.140   44.886  379.608   61.379  415.145   65.808  172.806   14.353  180.686   14.713 -7.879883 20.55445 
1 1 1  -15   14    7 o  543.040   17.713  3745.04  240.195  3732.02  338.671  3758.22  340.710  537.458   25.234  539.294   25.299 -1.835754 35.73238 
1 1 1  -15   14    8 o  224.240   10.563  631.611   59.150  676.180   82.126  583.571   85.263  231.014   14.306  214.130   16.062 16.88412 21.50983 
1 1 1  -15   14    9 o  243.335   12.935  747.958   78.319  746.398   93.260  751.692  144.260  242.479   15.483  240.479   24.359 2.000824 28.86266 
1 1 1  -15   14   10 o  141.982   15.809  258.039   55.101  295.582   69.030  192.114   91.474  151.400   18.653  118.921   30.619 32.47911 35.85338 
1 1 1  -15   14   11 o  373.408   19.593  1780.54  182.061  1860.31  252.394  1694.00  262.872  378.041   26.911  359.150   29.573 18.89047 39.98468 
1 1 1  -15   14   12 o  149.687   26.726  297.910   96.235   0.0000   0.0000  297.910   96.235  ?   ?   149.687   26.726 0.000000 26.72569 
1 1 1  -15   14   13 o  113.203   20.094  167.926   54.723  167.926   54.723   0.0000   0.0000  113.203   20.094  ?   ?  0.000000 20.09421 
1 1 1  -15   14   14 o   81.286   19.279   87.378   38.542   92.328   44.377   72.183   77.752   83.442   21.242   81.054   29.563 2.387451 36.40343 
1 1 1  -15   14   15 o  236.034   16.251  708.290   95.202  792.480  126.148  596.891  145.108  248.456   20.515  212.787   27.987 35.66875 34.70113 
1 1 1  -15   14   16 o  105.106   17.363  143.603   43.982  134.081   51.177  170.509   86.023  100.699   21.030  112.302   30.074 -11.60318 36.69739 
1 1 1  -15   14   17 f  196.639   16.007  492.259   77.921  577.770  100.297  362.066  123.757  212.311   19.123  163.786   31.401 48.52582 36.76544 
1 1 1  -15   14   18 o  158.199   15.586  319.327   60.774  322.014   73.607  313.572  107.720  158.054   19.032  152.863   29.285 5.190384 34.92633 
1 1 1  -15   14   19 o  416.823   17.095  2201.99  177.940  2460.51  216.496  1663.74  312.384  439.534   19.725  351.975   36.049 87.55920 41.09278 
1 1 1  -15   14   20 o  141.378   11.369  252.823   39.798  274.409   54.406  227.980   58.367  146.643   15.072  132.855   18.061 13.78883 23.52354 
1 1 1  -15   14   21 o  228.712   10.989  657.235   62.760  694.814   87.159  616.769   90.446  234.069   14.990  220.088   16.578 13.98146 22.35053 
1 1 1  -15   14   22 o  163.674   11.263  338.280   45.754  310.497   62.686  369.955   66.934  155.783   16.358  170.286   15.925 -14.50351 22.82984 
1 1 1  -15   14   23 o  248.746   11.520  778.031   71.557  763.274   99.452  793.870  103.036  244.983   16.350  249.794   16.613 -4.810501 23.30927 
1 1 1  -15   14   24 o  215.369   11.146  584.585   59.742  561.367   82.664  609.971   86.438  210.029   15.878  218.969   15.917 -8.940247 22.48248 
1 1 1  -15   14   25 o  180.303   11.404  410.436   51.080  418.256   70.283  401.682   74.367  181.139   15.693  177.167   17.018 3.972198 23.14933 
1 1 1  -15   14   26 o  176.484   11.472  393.439   50.282  405.593   69.461  380.058   72.882  178.303   15.763  172.208   17.177 6.094986 23.31334 
1 1 1  -15   14   27 o  407.542   15.166  2102.36  154.348  2178.16  217.573  2025.56  218.997  411.645   21.238  396.394   22.213 15.25131 30.73245 
1 1 1  -15   14   28 o  196.247   11.797  486.820   57.544  487.449   79.907  486.143   82.938  195.231   16.546  194.774   17.230 0.4577332 23.88775 
1 1 1  -15   14   29 o  141.923   12.135  255.826   42.593  249.950   57.886  262.764   62.896  139.141   17.014  142.418   18.094 -3.276642 24.83656 
1 1 1  -15   14   30 o  141.953   11.155  255.482   39.224  228.805   52.756  288.453   58.652  133.137   16.202  149.773   15.926 -16.63620 22.71901 
1 1 1  -15   14   31 o  104.403   20.389  145.237   51.250  108.052  118.193  153.847   56.875   96.414   36.214  107.063   22.009 -10.64891 42.37717 
1 1 1  -15   14   32 o  166.854   17.338  360.886   71.186  361.433  141.079  360.699   82.452  157.951   36.500  165.686   20.356 -7.734650 41.79275 
1 1 1  -15   14   33 o   80.095   20.933   86.821   42.334   11.868  126.849   96.215   44.909   79.433   34.475   84.203   21.333 -4.769608 40.54182 
1 1 1  -15   14   34 o  219.887   15.651  624.041   85.378  434.522  178.956  679.890   97.147  166.348   42.825  228.838   17.124 -62.49007 46.12207 
1 1 1  -15   14   35 o  113.866   19.060  173.579   52.281 -43.8813  148.007  204.581   55.883   76.239   34.835  123.996   18.623 -47.75702 39.50046 
1 1 1  -15   14   36 o  115.501   41.904  207.671  155.913  207.671  155.913   0.0000   0.0000  115.501   41.904  ?   ?  0.000000 41.90353 
1 1 1  -15   14   37 o   78.149   21.394   84.613   42.971 -58.6069  150.150   97.390   44.847   73.850   34.225   83.726   21.376 -9.876099 40.35159 
1 1 1  -15   14   38 o  198.269   17.497  520.211   85.740  312.026  201.464  566.257   94.748  130.497   47.589  206.169   18.604 -75.67143 51.09594 
1 1 1  -15   14   39 o   85.812   36.014   74.579  130.342   0.0000   0.0000   74.579  130.342  ?   ?    85.812   36.014 0.000000 36.01359 
1 1 1  -15   14   40 o   94.183   35.111  132.951  110.692  164.400  206.423  120.257  131.142  104.570   44.661   92.929   37.217 11.64070 58.13526 
1 1 1  -15   14   41 o   86.313   21.669  106.422   46.635  105.106  208.174  106.492   47.851   95.857   42.770   86.164   22.125 9.693054 48.15400 
1 1 1  -15   14   42 o   68.418   22.531   65.521   44.615   79.223  224.526   64.958   45.522   92.460   42.489   68.250   22.773 24.20966 48.20757 
1 1 1  -15   15    1 o   73.293   15.010   70.447   26.549   56.662   34.414   90.713   41.725   66.013   19.515   82.551   20.366 -16.53781 28.20701 
1 1 1  -15   15    2 f  298.144   11.799  1119.57   87.849  1128.53  122.225  1109.99  126.353  297.670   16.507  294.948   17.230 2.721985 23.86132 
1 1 1  -15   15    3 o  225.476   10.663  639.222   60.041  666.425   82.672  608.858   87.343  229.102   14.525  218.516   16.120 10.58540 21.69910 
1 1 1  -15   15    4 o  210.491   10.461  556.868   54.984  525.220   75.305  593.008   80.472  203.202   14.945  215.964   15.015 -12.76126 21.18499 
1 1 1  -15   15    5 o  483.517   16.194  2964.54  195.536  2954.70  275.220  2974.56  277.859  478.986   23.009  480.500   23.157 -1.513306 32.64473 
1 1 1  -15   15    6 o  234.150   10.636  689.084   62.192  671.016   85.653  709.232   90.448  229.844   15.005  236.214   15.418 -6.370300 21.51468 
1 1 1  -15   15    7 o  169.430   10.511  362.067   44.254  374.488   60.320  347.588   65.125  171.623   14.202  164.893   16.018 6.730728 21.40740 
1 1 1  -15   15    8 o  492.539   16.262  3074.53  200.013  2985.23  281.166  3166.03  284.588  481.543   23.382  496.173   22.969 -14.62991 32.77589 
1 1 1  -15   15    9 o  226.197   10.644  642.907   60.126  611.199   82.874  678.146   87.366  219.319   15.226  231.070   15.226 -11.75121 21.53294 
1 1 1  -15   15   10 o  208.182   10.385  544.377   53.987  500.857   74.109  593.589   78.807  198.488   15.064  216.268   14.679 -17.77969 21.03327 
1 1 1  -15   15   11 o  222.038   10.834  619.541   60.074  593.651   83.289  647.614   86.730  216.083   15.539  225.752   15.478 -9.668869 21.93244 
1 1 1  -15   15   12 o  296.568   11.980  1106.77   88.723  1063.08  123.202  1153.84  127.875  288.999   17.148  301.146   17.075 -12.14734 24.19927 
1 1 1  -15   15   13 f  316.636   12.148  1261.82   96.053  1231.51  133.919  1293.93  137.845  311.086   17.307  318.872   17.377 -7.785217 24.52541 
1 1 1  -15   15   14 o  207.350   10.579  541.436   54.597  503.992   74.830  584.058   79.837  199.125   15.163  214.479   15.001 -15.35451 21.32905 
1 1 1  -15   15   15 o  200.197   10.831  505.013   53.945  552.188   74.348  452.564   78.394  208.670   14.355  188.237   16.856 20.43265 22.14016 
1 1 1  -15   15   16 o  122.732   11.573  191.066   35.051  209.244   47.114  168.534   52.454  127.836   15.047  113.603   19.173 14.23286 24.37205 
1 1 1  -15   15   17 o  217.294   11.063  594.887   59.830  631.412   82.667  554.707   86.704  223.077   14.926  208.574   16.789 14.50330 22.46428 
1 1 1  -15   15   18 o  321.501   12.351  1301.05   99.156  1354.23  139.058  1246.05  141.428  326.371   17.122  312.664   18.192 13.70718 24.98231 
1 1 1  -15   15   19 o  242.913   11.695  742.124   70.943  820.407   98.886  659.101  101.835  254.216   15.653  227.097   18.108 27.11952 23.93539 
1 1 1  -15   15   20 o  211.030   11.104  561.227   58.311  609.216   80.653  508.670   84.404  219.121   14.827  199.588   17.100 19.53302 22.63284 
1 1 1  -15   15   21 o  350.497   13.480  1548.89  117.986  1645.56  165.888  1449.93  167.843  359.262   18.554  336.581   20.060 22.68173 27.32529 
1 1 1  -15   15   22 o  162.378   11.281  333.054   45.459  297.099   62.470  373.525   66.277  152.232   16.708  171.130   15.684 -18.89862 22.91546 
1 1 1  -15   15   23 o  190.152   11.078  456.037   52.374  482.956   71.987  425.764   76.341  194.931   14.901  182.471   16.947 12.46010 22.56693 
1 1 1  -15   15   24 o  324.571   12.959  1327.77  105.033  1421.06  147.501  1231.79  149.600  333.970   17.750  310.257   19.407 23.71252 26.29977 
1 1 1  -15   15   25 o  114.741   12.442  167.742   35.079  142.797   46.826  199.645   52.956  104.419   18.642  124.191   17.566 -19.77181 25.61394 
1 1 1  -15   15   26 o  147.253   11.842  274.720   43.176  261.899   58.457  290.110   64.046  142.719   16.719  150.129   17.406 -7.409515 24.13540 
1 1 1  -15   15   27 o  167.124   11.491  353.244   47.666  346.251   64.825  361.475   70.332  164.477   15.985  167.819   17.018 -3.341187 23.34799 
1 1 1  -15   15   28 o  126.279   12.103  202.839   37.700  201.618   50.445  204.384   56.739  124.901   16.583  125.208   18.721 -0.3065872 25.01005 
1 1 1  -15   15   29 o  110.144   12.483  155.072   33.728  115.283   43.830  212.840   52.813   93.184   19.463  128.208   16.908 -35.02351 25.78218 
1 1 1  -15   15   30 f  139.809   11.942  248.564   41.292  252.636   55.793  243.634   61.399  139.895   16.275  136.714   18.456 3.180862 24.60715 
1 1 1  -15   15   31 o  309.921   19.551  1244.14  150.535  1019.07  230.215  1412.25  198.964  269.976   34.969  326.948   24.549 -56.97211 42.72545 
1 1 1  -15   15   32 o  127.307   19.775  214.458   60.827   58.913  131.307  256.957   68.636   88.455   36.554  139.380   20.317 -50.92487 41.82111 
1 1 1  -15   15   33 o  165.312   12.339  348.748   50.569  313.425   69.861  387.626   73.292  154.597   18.461  172.628   17.232 -18.03052 25.25392 
1 1 1  -15   15   34 o  402.197   19.093  2110.49  191.765  1982.24  346.376  2167.17  230.276  365.462   38.535  403.190   22.966 -37.72791 44.85949 
1 1 1  -15   15   35 o   93.860   20.993  120.715   47.973   34.058  149.534  130.657   50.650   86.028   37.385   97.591   21.375 -11.56307 43.06403 
1 1 1  -15   15   36 o   88.413   20.768  107.716   45.072   99.446  147.789  108.564   47.326   94.679   38.916   88.521   21.600 6.158188 44.50886 
1 1 1  -15   15   37 o   61.000   21.631   45.522   41.285 -144.4448  153.239   60.390   42.871   66.768   32.007   67.439   22.081 -0.6714859 38.88490 
1 1 1  -15   15   38 o  175.315   16.838  405.996   72.808   19.206  184.728  477.133   79.221   87.905   39.667  190.148   16.859 -102.2434 43.10126 
1 1 1  -15   15   39 o  165.779   19.098  370.549   77.618   0.0000   0.0000  370.549   77.618  ?   ?   165.779   19.098 0.000000 19.09843 
1 1 1  -15   15   40 o  101.211   39.105  162.265  140.303   0.0000   0.0000  162.265  140.303  ?   ?   101.211   39.105 0.000000 39.10482 
1 1 1  -15   15   41 o   96.132   21.195  131.061   49.511   75.685  205.183  134.484   51.019   92.350   41.727   97.216   21.579 -4.865974 46.97673 
1 1 1  -15   15   42 o   74.539   22.443   80.090   45.204  132.792  226.362   77.901   46.133   97.263   43.899   73.587   22.775 23.67654 49.45487 
1 1 1  -15   16    1 o  227.661   14.802  659.433   83.693  676.257  118.145  642.487  118.574  228.468   20.941  222.379   21.626 6.088699 30.10333 
1 1 1  -15   16    2 o  166.488   14.165  353.129   58.332  307.098   82.149  399.941   82.843  152.930   22.156  175.873   19.174 -22.94305 29.30063 
1 1 1  -15   16    3 o  300.682   14.160  1143.57  106.318  1293.31  179.093  1062.09  132.118  315.773   22.867  287.924   18.473 27.84879 29.39604 
1 1 1  -15   16    4 o  230.500   10.737  668.253   61.803  693.539   84.840  639.665   90.211  233.658   14.614  223.908   16.244 9.749878 21.85044 
1 1 1  -15   16    5 o  360.786   13.242  1643.08  119.305  1689.49  167.031  1594.74  170.467  363.555   18.459  352.746   19.427 10.80930 26.79803 
1 1 1  -15   16    6 o  139.133   10.856  244.900   37.419  226.424   50.143  268.118   56.212  132.848   15.400  144.608   15.825 -11.75977 22.08137 
1 1 1  -15   16    7 f  344.477   12.934  1496.64  111.258  1556.02  155.741  1434.76  158.994  349.206   17.920  334.798   19.096 14.40823 26.18760 
1 1 1  -15   16    8 o  310.504   12.000  1214.15   93.047  1193.76  129.540  1235.89  133.738  306.123   17.013  311.402   17.266 -5.279266 24.23919 
1 1 1  -15   16    9 f  248.689   10.901  777.612   67.700  774.711   93.313  780.835   98.373  246.967   15.204  247.724   15.988 -0.7568359 22.06291 
1 1 1  -15   16   10 o  237.366   10.559  708.055   62.586  695.939   86.272  721.516   90.932  234.143   14.832  238.282   15.364 -4.139145 21.35458 
1 1 1  -15   16   11 o  113.443   13.798  164.753   38.283  234.644   60.353  117.701   49.520  134.601   18.440   94.044   21.548 40.55699 28.36156 
1 1 1  -15   16   12 o  363.364   15.033  1669.78  136.408  1655.39  167.338  1698.30  235.499  360.102   18.673  360.912   26.311 -0.8096924 32.26382 
1 1 1  -15   16   13 o  203.161   10.769  520.146   54.438  522.861   74.561  517.048   79.666  202.861   14.821  201.447   15.967 1.414017 21.78588 
1 1 1  -15   16   14 o  285.798   11.474  1027.38   81.887  980.730  113.448  1078.12  118.316  277.705   16.432  291.241   16.334 -13.53653 23.16950 
1 1 1  -15   16   15 o  243.630   11.156  746.247   67.870  709.793   93.347  787.129   98.854  236.254   15.915  248.822   15.994 -12.56781 22.56340 
1 1 1  -15   16   16 o  313.160   12.302  1234.77   96.205  1247.63  134.542  1221.30  137.619  313.071   17.276  309.531   17.880 3.540527 24.86313 
1 1 1  -15   16   17 o  187.340   10.495  442.237   48.901  411.595   66.625  478.023   72.000  179.851   14.970  193.907   14.986 -14.05531 21.18209 
1 1 1  -15   16   18 o  189.930   11.019  454.928   52.040  483.486   71.186  422.149   76.266  195.080   14.721  181.671   17.009 13.40938 22.49503 
1 1 1  -15   16   19 o  202.116   11.194  515.144   56.279  550.895   77.415  475.071   81.961  208.240   14.987  192.757   17.208 15.48274 22.81987 
1 1 1  -15   16   20 o  122.851   12.078  191.754   36.575  180.073   49.175  206.216   54.718  117.951   17.201  126.219   17.859 -8.267906 24.79555 
1 1 1  -15   16   21 o  112.955   12.735  162.733   35.294  164.931   47.518  160.029   52.713  112.721   17.445  110.420   19.846 2.301300 26.42342 
1 1 1  -15   16   22 o  282.612   11.882  1005.23   83.857  1019.15  116.825  990.443  120.440  283.029   16.602  278.751   17.389 4.278656 24.04174 
1 1 1  -15   16   23 o  210.657   11.539  559.955   60.471  618.563   83.640  495.766   87.532  220.596   15.277  196.657   18.025 23.93887 23.62798 
1 1 1  -15   16   24 o  178.665   11.622  403.379   51.572  442.702   71.316  360.272   74.668  186.382   15.462  167.329   18.161 19.05199 23.85165 
1 1 1  -15   16   25 o  143.766   11.801  261.940   41.993  234.281   56.736  295.447   62.448  134.736   17.259  151.667   16.769 -16.93071 24.06418 
1 1 1  -15   16   26 o  146.013   11.808  270.237   42.686  239.622   57.428  308.035   63.809  136.239   17.267  154.848   16.770 -18.60933 24.07033 
1 1 1  -15   16   27 o  183.480   12.036  426.144   54.841  451.759   75.552  397.617   79.730  187.908   16.261  175.578   18.461 12.32942 24.60146 
1 1 1  -15   16   28 o  264.867   11.638  884.363   76.975  823.537  106.692  950.393  111.164  253.721   16.937  272.841   16.392 -19.11978 23.56980 
1 1 1  -15   16   29 o  371.661   13.706  1749.73  127.207  1833.53  179.444  1665.08  180.354  377.484   19.098  359.053   20.197 18.43106 27.79673 
1 1 1  -15   16   30 o  240.197   15.984  739.009   95.326  681.686  176.063  762.782  113.382  222.063   32.731  242.869   18.842 -20.80551 37.76742 
1 1 1  -15   16   31 o  209.455   18.094  568.363   93.712  315.694  155.685  711.927  117.353  145.264   41.082  233.522   20.327 -88.25798 45.83610 
1 1 1  -15   16   32 o  147.099   12.635  276.572   45.963  240.406   58.767  333.551   73.764  135.503   17.798  159.527   18.883 -24.02437 25.94852 
1 1 1  -15   16   33 o  262.099   11.525  870.934   75.435  829.600  105.386  914.364  108.026  253.176   16.764  266.076   16.337 -12.90001 23.40808 
1 1 1  -15   16   34 o  247.120   19.407  803.719  118.799   0.0000   0.0000  803.719  118.799  ?   ?   247.120   19.407 0.000000 19.40725 
1 1 1  -15   16   35 o   99.844   39.065  129.647  141.383  129.647  141.383   0.0000   0.0000   99.844   39.065  ?   ?  0.000000 39.06484 
1 1 1  -15   16   36 o   98.042   20.242  131.665   47.916   18.161  146.008  145.364   50.725   82.073   36.262  103.059   20.432 -20.98619 41.62217 
1 1 1  -15   16   37 o  164.301   16.182  354.820   65.532  290.033  168.019  366.443   71.168  129.664   43.749  166.363   17.388 -36.69934 47.07786 
1 1 1  -15   16   38 o  122.736   18.961  203.906   56.241  168.046  168.510  208.401   59.662  105.560   42.218  123.581   20.017 -18.02145 46.72355 
1 1 1  -15   16   39 o  131.213   18.717  233.060   59.591  153.247  186.271  242.160   62.896  103.021   43.134  133.391   19.454 -30.36995 47.31816 
1 1 1  -15   16   40 o  112.055   41.113  219.478  150.689   0.0000   0.0000  219.478  150.689  ?   ?   112.055   41.113 0.000000 41.11254 
1 1 1  -15   16   41 o   88.509   35.452  110.844  119.019  271.250  209.914   34.845  144.488  115.754   46.828   79.905   35.644 35.84908 58.85053 
1 1 1  -15   16   42 o   93.752   22.391  127.812   51.700  141.738  240.157  127.135   52.942   98.319   44.710   93.220   22.906 5.098923 50.23581 
1 1 1  -15   17    1 o  120.706   11.558  185.327   34.412  187.375   45.351  182.546   52.834  120.530   15.421  118.129   18.519 2.400764 24.09908 
1 1 1  -15   17    2 o  305.837   12.189  1180.24   93.090  1197.66  129.267  1161.47  134.166  306.144   16.975  301.072   17.926 5.071991 24.68833 
1 1 1  -15   17    3 o  221.794   10.683  619.080   59.171  637.761   80.831  597.513   86.853  223.919   14.534  216.223   16.203 7.696289 21.76666 
1 1 1  -15   17    4 o  168.689   14.409  362.804   60.114  371.420   85.596  354.419   84.444  168.880   20.732  164.833   20.991 4.047424 29.50364 
1 1 1  -15   17    5 o  303.612   16.833  1175.98  127.123  1187.80  180.298  1164.29  179.265  301.807   24.124  298.727   24.240 3.079865 34.19884 
1 1 1  -15   17    6 o  152.610   12.967  296.019   48.950  352.608   78.375  259.827   62.679  164.996   19.392  141.671   18.133 23.32465 26.54899 
1 1 1  -15   17    7 o  212.545   10.766  569.660   56.953  548.795   77.653  593.950   83.784  207.622   15.080  215.881   15.648 -8.258865 21.73173 
1 1 1  -15   17    8 o  114.897   11.825  167.990   33.444  167.410   44.369  168.754   50.893  113.809   16.058  113.652   18.574 0.1571121 24.55297 
1 1 1  -15   17    9 o  215.218   10.553  582.324   56.716  548.944   77.272  621.308   83.507  207.718   14.998  220.988   15.225 -13.26958 21.37157 
1 1 1  -15   17   10 o  125.389   17.988  203.996   54.710   0.0000   0.0000  203.996   54.710  ?   ?   125.389   17.988 0.000000 17.98780 
1 1 1  -15   17   11 o  151.307   14.776  292.255   55.119  292.255   55.119   0.0000   0.0000  151.307   14.776  ?   ?  0.000000 14.77634 
1 1 1  -15   17   12 o  215.441   10.645  583.453   57.269  575.233   78.520  592.796   83.709  212.740   14.874  215.780   15.641 -3.040070 21.58421 
1 1 1  -15   17   13 o  195.872   10.557  483.564   51.448  447.214   69.414  527.874   76.638  187.446   14.954  203.690   15.176 -16.24464 21.30535 
1 1 1  -15   17   14 o  216.838   10.958  592.685   59.143  598.100   81.489  586.658   85.973  216.904   15.140  214.542   16.166 2.362183 22.14824 
1 1 1  -15   17   15 o  326.169   12.337  1340.12  100.489  1290.94  139.848  1392.62  144.492  318.196   17.669  330.565   17.567 -12.36835 24.91596 
1 1 1  -15   17   16 o  193.700   10.870  473.136   52.366  432.037   70.398  524.048   78.353  184.122   15.454  202.870   15.585 -18.74815 21.94836 
1 1 1  -15   17   17 o  261.635   11.256  860.970   73.538  850.353  101.720  872.594  106.438  258.636   15.826  261.851   16.360 -3.214844 22.76150 
1 1 1  -15   17   18 o  196.406   11.123  486.620   54.329  477.159   74.473  497.383   79.433  193.542   15.540  197.445   16.255 -3.902802 22.48792 
1 1 1  -15   17   19 o   79.856   15.441   83.374   29.678   85.209   38.729   80.764   46.194   80.165   19.527   78.315   22.457 1.850487 29.75923 
1 1 1  -15   17   20 o   72.491   16.398   69.224   28.989   46.814   37.772  101.344   45.220   62.080   20.744   87.280   21.002 -25.20062 29.51952 
1 1 1  -15   17   21 o  232.185   11.162  678.048   64.718  665.796   88.655  692.024   94.691  228.777   15.612  233.047   16.375 -4.270157 22.62438 
1 1 1  -15   17   22 o   99.087   14.118  126.439   33.945  140.082   45.205  108.800   51.400  103.481   18.156   90.247   22.800 13.23326 29.14531 
1 1 1  -15   17   23 o  122.316   12.499  190.473   37.641  212.087   50.658  163.829   56.245  128.360   16.162  111.376   20.993 16.98359 26.49380 
1 1 1  -15   17   24 o  190.770   11.615  459.850   55.068  446.582   75.600  474.847   80.374  186.899   16.363  192.624   16.879 -5.725006 23.50876 
1 1 1  -15   17   25 f  374.901   13.582  1775.64  127.154  1730.80  177.484  1822.93  182.258  367.432   19.412  377.104   19.420 -9.672729 27.45863 
1 1 1  -15   17   26 o  272.831   11.945  938.301   81.381  924.133  113.620  953.227  116.620  268.954   17.005  273.104   17.188 -4.150177 24.17789 
1 1 1  -15   17   27 o  219.324   11.775  608.223   64.256  662.541   88.564  547.850   93.371  227.866   15.659  206.270   18.318 21.59642 24.09862 
1 1 1  -15   17   28 o  338.449   14.163  1452.14  119.701  1555.63  167.891  1345.14  170.711  347.507   19.425  322.036   21.349 25.47043 28.86346 
1 1 1  -15   17   29 o  156.460   11.863  310.940   46.004  268.208   61.921  363.585   68.729  143.729   17.621  167.966   16.603 -24.23730 24.21115 
1 1 1  -15   17   30 o  111.186   19.871  164.207   53.148  328.902  120.444  124.383   59.227  152.717   32.576   95.426   24.672 57.29097 40.86462 
1 1 1  -15   17   31 o  131.764   19.704  229.527   62.845  132.393  134.778  256.514   71.040  102.833   38.662  138.884   21.151 -36.05052 44.06988 
1 1 1  -15   17   32 o  263.914   12.209  884.036   80.461  896.330  111.739  870.796  115.956  263.197   17.094  258.888   18.049 4.309021 24.85886 
1 1 1  -15   17   33 o  231.708   12.412  684.885   71.555  713.268  100.020  655.129  102.412  234.211   17.222  223.735   18.496 10.47678 25.27254 
1 1 1  -15   17   34 o  163.305   11.717  340.847   47.465  284.284   63.662  411.647   71.224  146.862   17.716  177.754   16.224 -30.89149 24.02303 
1 1 1  -15   17   35 o  124.594   12.834  200.525   39.360  199.882   52.675  201.338   59.228  122.601   17.719  122.018   20.141 0.5821304 26.82575 
1 1 1  -15   17   36 o   53.001   20.665   25.965   39.458 -74.4005  142.443   34.307   41.065   70.341   32.846   56.621   21.331 13.71982 39.16426 
1 1 1  -15   17   37 o  143.252   18.605  275.205   64.985  143.449  178.940  295.223   69.747  103.011   42.629  148.050   19.327 -45.03896 46.80584 
1 1 1  -15   17   38 o   85.074   22.065  102.000   47.272  243.499  166.936   89.665   49.290  118.576   43.307   79.714   23.296 38.86207 49.17562 
1 1 1  -15   17   39 o  116.403   19.596  185.829   54.938   39.247  177.721  201.315   57.767   87.429   39.227  121.157   19.776 -33.72752 43.92997 
1 1 1  -15   17   40 o  173.464   41.386  525.823  176.770   0.0000   0.0000  525.823  176.770  ?   ?   173.464   41.386 0.000000 41.38607 
1 1 1  -15   17   41 o   92.025   36.645  128.088  126.413  377.852  218.925   3.1562  154.834  130.328   49.215   77.626   35.529 52.70197 60.69977 
1 1 1  -15   17   42 o  119.022   20.873  200.730   59.777 -135.8658  226.230  225.995   61.980   76.548   37.224  126.858   20.246 -50.31087 42.37383 
1 1 1  -15   18    1 f   67.232   16.765   59.923   28.050   44.913   35.785   83.841   45.172   60.470   20.191   79.209   22.034 -18.73931 29.88630 
1 1 1  -15   18    2 o  107.052   12.553  146.733   32.922  124.898   42.682  178.803   51.728   97.300   18.236  116.869   18.327 -19.56852 25.85460 
1 1 1  -15   18    3 f  220.807   10.956  614.233   60.409  618.513   82.126  609.187   89.170  220.228   15.023  218.088   16.495 2.140045 22.31115 
1 1 1  -15   18    4 o  252.848   11.350  805.750   71.664  835.451   98.335  772.107  104.657  256.011   15.454  245.483   17.181 10.52760 23.10842 
1 1 1  -15   18    5 o  273.478   11.499  942.610   78.529  972.020  108.237  909.922  114.110  276.159   15.761  266.633   17.230 9.525665 23.35103 
1 1 1  -15   18    6 o  130.538   11.506  216.337   37.123  209.344   48.802  225.941   57.189  127.496   15.657  131.962   17.810 -4.465286 23.71348 
1 1 1  -15   18    7 o  144.546   15.088  267.652   53.658  227.540   76.712  306.078   75.081  130.471   24.443  153.276   20.100 -22.80499 31.64642 
1 1 1  -15   18    8 o  425.767   20.977  2330.06  223.036  2379.65  316.637  2281.22  314.219  422.989   30.174  413.727   30.631 9.261993 42.99735 
1 1 1  -15   18    9 o  304.266   16.924  1181.12  128.078  1247.28  183.172  1117.82  179.154  309.489   23.886  292.450   24.764 17.03888 34.40621 
1 1 1  -15   18   10 o  232.645   11.318  681.396   65.752  681.454   89.734  681.330   96.623  231.292   15.628  230.894   16.875 0.3982239 22.99971 
1 1 1  -15   18   11 o  335.973   12.869  1424.31  107.972  1419.83  150.051  1429.12  155.483  333.283   18.097  334.110   18.711 -0.8269043 26.03073 
1 1 1  -15   18   12 o   87.025   14.497   98.280   30.396  105.743   40.110   88.212   46.585   89.481   18.559   81.458   22.265 8.022850 28.98568 
1 1 1  -15   18   13 o   93.395   13.601  112.390   30.789  104.835   40.382  122.881   47.583   89.059   18.750   96.229   20.433 -7.170151 27.73219 
1 1 1  -15   18   14 o  164.002   11.146  339.939   45.375  358.721   61.317  317.204   67.463  167.741   14.790  156.989   17.507 10.75208 22.91772 
1 1 1  -15   18   15 f  128.229   11.943  208.848   37.804  198.758   50.007  222.307   57.751  124.089   16.550  130.946   18.149 -6.856827 24.56231 
1 1 1  -15   18   16 o  286.512   12.054  1034.08   86.247  1052.02  119.194  1014.38  124.951  287.369   16.682  281.759   17.851 5.610199 24.43224 
1 1 1  -15   18   17 f  234.870   11.254  694.105   66.006  684.610   89.646  705.348   97.546  231.948   15.567  235.115   16.723 -3.166656 22.84760 
1 1 1  -15   18   18 o  179.440   11.223  406.672   50.036  448.784   67.852  356.472   74.081  187.826   14.580  166.382   18.123 21.44469 23.26016 
1 1 1  -15   18   19 o  317.998   12.792  1275.27  101.580  1276.31  141.349  1274.16  146.080  316.120   17.980  315.599   18.618 0.5217590 25.88258 
1 1 1  -15   18   20 o  289.700   11.955  1057.11   86.487  981.503  118.931  1141.97  125.998  277.335   17.258  299.344   16.925 -22.00873 24.17225 
1 1 1  -15   18   21 o  194.652   11.567  478.649   55.972  492.328   76.017  462.451   82.720  196.497   15.621  189.855   17.650 6.641891 23.56960 
1 1 1  -15   18   22 o  423.870   14.747  2273.99  156.098  2185.58  217.773  2367.42  223.867  412.075   21.235  429.592   20.868 -17.51694 29.77257 
1 1 1  -15   18   23 o  341.648   12.939  1473.08  110.388  1538.95  153.659  1402.84  158.688  347.136   17.786  330.733   19.298 16.40350 26.24367 
1 1 1  -15   18   24 o  213.314   11.501  574.744   61.040  635.690   83.810  505.898   89.077  223.467   15.107  198.351   18.186 25.11650 23.64268 
1 1 1  -15   18   25 o  484.904   16.098  2988.26  194.926  2998.20  273.409  2978.00  277.982  481.524   22.738  479.550   23.213 1.973755 32.49377 
1 1 1  -15   18   26 o  332.374   12.872  1395.92  106.835  1341.48  148.061  1455.05  154.308  323.343   18.413  336.790   18.417 -13.44711 26.04309 
1 1 1  -15   18   27 o   72.749   16.555   70.072   29.399   50.887   37.347  101.325   47.669   63.577   20.598   86.835   21.967 -23.25789 30.11335 
1 1 1  -15   18   28 o  153.240   12.438  298.855   47.185  347.168   64.539  243.376   69.159  164.297   15.931  135.698   21.094 28.59842 26.43383 
1 1 1  -15   18   29 o  239.870   16.892  740.317  100.537  801.732  165.079  704.107  126.755  243.902   27.589  231.438   22.205 12.46391 35.41455 
1 1 1  -15   18   30 o  256.309   17.527  848.708  111.511  817.977  178.166  868.500  142.979  244.105   29.850  256.532   22.548 -12.42708 37.40899 
1 1 1  -15   18   31 o  125.257   19.296  207.900   58.418  192.605  122.929  212.361   66.394  115.193   37.375  125.611   21.967 -10.41769 43.35205 
1 1 1  -15   18   32 o  220.005   12.257  616.976   67.070  618.124   92.916  615.727   96.912  218.076   17.202  217.235   18.028 0.8414307 24.91778 
1 1 1  -15   18   33 o  134.504   12.887  232.781   42.755  220.015   59.228  246.672   61.783  128.535   19.027  136.397   18.626 -7.862289 26.62632 
1 1 1  -15   18   34 o  174.910   12.335  392.181   53.534  375.759   71.652  412.929   80.541  169.141   17.204  176.707   18.528 -7.566360 25.28308 
1 1 1  -15   18   35 o  109.445   13.042  155.524   34.943  161.116   45.631  147.595   54.333  109.950   17.182  103.308   21.749 6.641830 27.71668 
1 1 1  -15   18   36 o  150.831   11.869  292.456   44.343  283.006   59.823  303.980   66.062  146.355   16.666  151.151   17.846 -4.795929 24.41790 
1 1 1  -15   18   37 o  123.171   18.529  204.601   55.226  327.652  159.555  187.852   58.865  137.733   42.310  116.759   20.959 20.97462 47.21679 
1 1 1  -15   18   38 o  128.644   18.264  223.180   57.027  413.984  174.791  200.451   60.328  152.615   43.659  120.523   20.796 32.09131 48.35908 
1 1 1  -15   18   39 o  153.822   17.525  317.220   66.117  533.442  196.157  289.506   70.226  170.443   45.308  145.505   19.845 24.93753 49.46338 
1 1 1  -15   18   40 o  124.053   21.947  217.024   65.501   0.0000   0.0000  217.024   65.501  ?   ?   124.053   21.947 0.000000 21.94695 
1 1 1  -15   18   41 o  129.530   45.115  342.187  179.045   0.0000   0.0000  342.187  179.045  ?   ?   129.530   45.115 0.000000 45.11543 
1 1 1  -15   19    1 f  191.026   10.883  461.827   51.701  436.405   68.998  494.374   78.071  184.526   15.106  196.147   16.080 -11.62024 22.06285 
1 1 1  -15   19    2 o  181.294   10.919  415.976   49.203  412.984   65.596  419.825   74.398  179.648   14.752  180.536   16.691 -0.8872986 22.27611 
1 1 1  -15   19    3 o  137.317   11.454  239.554   38.919  236.928   51.150  243.165   59.978  135.630   15.374  136.670   18.013 -1.040024 23.68128 
1 1 1  -15   19    4 o   99.917   13.662  128.728   33.195  104.048   42.885  165.617   52.430   88.247   19.932  112.031   19.446 -23.78419 27.84638 
1 1 1  -15   19    5 o  305.474   12.270  1178.65   93.598  1192.99  129.247  1162.83  135.727  305.269   17.022  300.868   18.150 4.401062 24.88342 
1 1 1  -15   19    6 o  174.270   11.231  384.336   48.617  436.429   65.353  319.783   72.751  185.026   14.254  156.886   18.954 28.13959 23.71551 
1 1 1  -15   19    7 o   98.630   13.831  125.460   33.128  141.510   43.404  103.062   51.274  104.018   17.319   87.573   23.110 16.44480 28.87909 
1 1 1  -15   19    8 o  232.703   11.212  682.240   65.156  688.497   88.819  674.949   95.874  232.366   15.394  229.591   16.840 2.774811 22.81552 
1 1 1  -15   19    9 o  244.380   13.185  756.945   80.166  626.593  130.988  835.010  101.368  218.272   24.452  255.848   15.945 -37.57579 29.19136 
1 1 1  -15   19   10 o  310.065   17.286  1228.84  133.308  1323.73  189.707  1136.29  187.365  318.485   24.030  293.994   25.782 24.49091 35.24386 
1 1 1  -15   19   11 o  256.807   15.955  840.817  101.810  832.719  146.560  848.369  141.533  252.555   23.508  255.435   22.415 -2.880310 32.48206 
1 1 1  -15   19   12 o  332.164   17.809  1410.84  147.185  1507.52  210.822  1318.92  205.579  339.557   25.040  316.811   26.221 22.74603 36.25635 
1 1 1  -15   19   13 o  349.375   18.369  1562.37  159.695  1684.07  230.047  1449.18  221.862  358.531   25.868  331.761   27.014 26.76950 37.40237 
1 1 1  -15   19   14 o  175.197   10.994  387.787   47.855  371.431   64.350  408.025   71.581  170.515   15.274  178.527   16.233 -8.012070 22.28970 
1 1 1  -15   19   15 o  145.059   11.773  266.817   42.279  266.744   55.527  266.917   65.218  144.197   15.673  143.466   18.645 0.7314606 24.35715 
1 1 1  -15   19   16 o  201.557   11.298  513.034   56.634  569.699   77.125  446.724   83.432  211.633   14.684  186.330   18.162 25.30371 23.35553 
1 1 1  -15   19   17 o  355.646   12.889  1596.35  114.473  1554.45  159.506  1640.84  164.381  348.572   18.390  358.127   18.443 -9.554932 26.04501 
1 1 1  -15   19   18 f  179.258   11.348  406.151   50.535  424.762   67.419  382.284   76.345  182.545   14.920  172.294   18.011 10.25134 23.38780 
1 1 1  -15   19   19 o  222.798   11.788  627.097   65.351  630.253   89.304  623.460   95.887  222.217   16.205  220.598   17.551 1.618942 23.88830 
1 1 1  -15   19   20 o  246.818   11.468  767.198   70.683  751.835   96.769  784.770  103.490  242.840   16.048  247.874   16.819 -5.034897 23.24665 
1 1 1  -15   19   21 o  530.812   16.865  3584.54  223.548  3476.95  313.499  3695.84  318.858  517.685   24.250  534.011   23.911 -16.32629 34.05609 
1 1 1  -15   19   22 o  304.261   12.582  1168.27   95.596  1184.93  132.020  1149.90  138.606  304.474   17.436  299.437   18.629 5.037292 25.51562 
1 1 1  -15   19   23 o  158.920   11.902  320.171   46.890  320.116   62.899  320.240   70.348  157.909   16.179  157.363   18.240 0.5461273 24.38200 
1 1 1  -15   19   24 o  209.842   11.433  556.570   59.683  509.452   80.363  614.523   89.125  199.477   16.275  219.158   16.404 -19.68155 23.10771 
1 1 1  -15   19   25 o  271.867   12.099  933.032   82.140  950.227  112.920  913.708  119.704  272.553   16.671  266.685   18.081 5.868469 24.59396 
1 1 1  -15   19   26 o  396.734   14.418  1997.79  142.846  2030.16  199.539  1963.76  204.586  396.361   20.227  389.213   21.128 7.148590 29.24978 
1 1 1  -15   19   27 f  124.454   18.439  202.880   55.571  380.653  113.463  146.779   63.740  167.198   28.177  103.756   24.915 63.44238 37.61228 
1 1 1  -15   19   28 o  131.719   19.000  227.891   60.690  111.019  115.505  272.463   71.330   96.174   35.863  143.722   20.451 -47.54855 41.28472 
1 1 1  -15   19   29 o  143.264   18.107  268.344   63.332  303.849  123.369  255.639   73.799  145.111   34.543  138.297   22.114 6.813980 41.01546 
1 1 1  -15   19   30 o  290.746   18.824  1099.89  135.938  990.159  212.754  1175.60  176.715  265.292   32.814  296.921   24.040 -31.62820 40.67780 
1 1 1  -15   19   31 o   77.509   16.088   79.959   30.120  112.290   38.438   28.520   48.483   91.832   17.398   57.878   22.805 33.95407 28.68426 
1 1 1  -15   19   32 o  174.672   15.901  396.284   68.599  488.275  145.321  369.907   77.815  183.573   32.910  167.364   18.953 16.20845 37.97704 
1 1 1  -15   19   33 o   99.099   17.799  131.480   42.428  131.480   42.428   0.0000   0.0000   99.099   17.799  ?   ?  0.000000 17.79912 
1 1 1  -15   19   34 o   52.960   16.678   36.353   24.618   38.530   30.007   31.872   43.056   55.280   18.489   56.524   21.710 -1.243927 28.51630 
1 1 1  -15   19   35 o  102.798   13.614  138.106   34.088  133.594   43.935  144.933   54.034   99.351   18.386  102.135   21.846 -2.784103 28.55344 
1 1 1  -15   19   36 o  236.303   12.371  717.768   72.749  702.998  101.227  733.546  104.623  230.426   17.728  235.239   17.946 -4.812683 25.22549 
1 1 1  -15   19   37 f  153.192   12.426  303.221   47.125  290.925   63.501  318.296   70.309  147.609   17.573  153.846   18.685 -6.237167 25.64972 
1 1 1  -15   19   38 o  164.699   17.639  362.806   71.420  352.266  178.842  364.805   77.901  137.483   45.103  164.052   19.391 -26.56929 49.09499 
1 1 1  -15   19   39 o  109.113   21.671  167.781   56.965   58.439  178.545  180.173   60.106   88.640   39.576  112.916   22.108 -24.27620 45.33195 
1 1 1  -15   19   40 o  114.504   22.055  186.391   60.776   0.0000   0.0000  186.391   60.776  ?   ?   114.504   22.055 0.000000 22.05500 
1 1 1  -15   19   41 o   95.970   40.903  145.652  172.486   0.0000   0.0000  145.652  172.486  ?   ?    95.970   40.903 0.000000 40.90259 
1 1 1  -15   20    1 o   85.934   18.832   98.957   39.297   88.811   42.631  156.308  101.355   81.057   20.920  105.644   33.902 -24.58723 39.83685 
1 1 1  -15   20    2 o  111.089   21.735  165.948   58.134  218.647   69.513   43.330  106.034  127.587   22.647   79.788   32.899 47.79831 39.94058 
1 1 1  -15   20    3 o  138.585   11.785  244.536   40.399  271.378   53.014  207.361   62.390  145.264   14.822  124.970   20.718 20.29369 25.47407 
1 1 1  -15   20    4 o  108.533   13.113  151.363   34.820  119.617   44.704  200.331   55.521   94.683   19.554  123.564   18.567 -28.88139 26.96532 
1 1 1  -15   20    5 o  232.474   11.253  682.052   65.330  716.608   88.714  641.109   96.565  236.840   15.078  223.092   17.473 13.74797 23.07947 
1 1 1  -15   20    6 o  130.921   12.054  218.336   38.967  212.767   50.787  226.307   60.762  128.206   16.226  131.437   19.069 -3.230652 25.03850 
1 1 1  -15   20    7 o  151.469   11.465  291.080   43.046  339.214   57.290  228.671   65.234  162.920   14.224  131.733   20.497 31.18730 24.94893 
1 1 1  -15   20    8 o  143.908   18.356  269.293   64.463   0.0000   0.0000  269.293   64.463  ?   ?   143.908   18.356 0.000000 18.35619 
1 1 1  -15   20    9 o  146.705   15.236  276.270   55.003  276.270   55.003   0.0000   0.0000  146.705   15.236  ?   ?  0.000000 15.23590 
1 1 1  -15   20   10 o  145.645   11.531  269.120   41.594  290.564   54.690  239.699   64.060  150.644   14.726  135.367   19.515 15.27783 24.44755 
1 1 1  -15   20   11 o  195.521   11.182  483.252   54.368  482.997   72.742  483.574   81.836  194.495   15.095  194.023   17.064 0.4718475 22.78256 
1 1 1  -15   20   12 o  318.681   12.545  1282.56   99.833  1264.83  137.659  1302.22  144.997  314.291   17.611  318.601   18.302 -4.309998 25.39836 
1 1 1  -15   20   13 o  333.383   12.899  1404.33  107.388  1427.82  148.727  1378.75  155.220  333.893   17.903  327.543   19.059 6.351013 26.14896 
1 1 1  -15   20   14 o  225.874   15.612  650.969   87.521  683.357  127.724  622.299  120.168  228.814   22.651  218.389   22.350 10.42575 31.82064 
1 1 1  -15   20   15 o  242.646   15.704  750.861   94.647  833.891  139.038  679.162  129.204  253.193   22.215  227.982   23.009 25.21077 31.98335 
1 1 1  -15   20   16 o   89.047   21.424  106.114   47.062  168.669   79.527   72.401   58.381  111.034   28.529   76.413   25.789 34.62047 38.45711 
1 1 1  -15   20   17 o  236.725   16.046  715.381   94.294  754.422  140.928  683.735  126.880  240.050   23.824  229.015   22.476 11.03445 32.75278 
1 1 1  -15   20   18 o  201.382   15.918  518.378   79.398  563.768  123.004  485.958  103.955  207.035   24.251  192.931   21.969 14.10390 32.72236 
1 1 1  -15   20   19 o  223.360   16.252  637.668   90.029  763.356  143.247  555.609  115.745  241.321   24.093  206.056   22.880 35.26427 33.22588 
1 1 1  -15   20   20 o  198.512   16.348  504.587   80.322  428.895  123.572  559.964  105.695  178.316   28.727  207.709   20.651 -29.39337 35.37949 
1 1 1  -15   20   21 o  190.806   16.357  466.569   77.182  463.519  121.939  468.608   99.695  186.197   27.014  189.512   21.443 -3.314728 34.49024 
1 1 1  -15   20   22 o  420.928   21.665  2294.66  226.953  2223.68  327.163  2360.49  315.096  405.333   32.598  419.908   30.252 -14.57474 44.47276 
1 1 1  -15   20   23 o  214.687   16.828  591.302   89.497  564.807  142.818  608.433  114.843  204.717   28.728  215.973   21.583 -11.25572 35.93194 
1 1 1  -15   20   24 o  243.706   17.266  762.684  104.397  617.401  159.477  871.627  138.098  212.717   30.928  258.663   21.577 -45.94597 37.71093 
1 1 1  -15   20   25 o  321.702   18.637  1333.78  149.075  1274.85  221.018  1382.97  201.923  307.730   29.107  323.502   25.194 -15.77170 38.49599 
1 1 1  -15   20   26 o  110.197   20.093  161.438   53.255  208.910  101.676  143.491   62.517  121.501   32.763  102.521   24.710 18.98065 41.03590 
1 1 1  -15   20   27 o  108.375   20.921  157.326   54.569   60.091  105.543  192.804   63.752   83.062   33.344  119.847   22.116 -36.78544 40.01209 
1 1 1  -15   20   28 o  170.378   17.832  377.828   74.747  327.540  136.166  399.517   89.425  149.364   36.756  173.919   21.016 -24.55536 42.34046 
1 1 1  -15   20   29 o  166.342   12.021  352.696   49.596  315.717   66.349  399.523   74.662  155.588   17.374  175.261   17.285 -19.67212 24.50709 
1 1 1  -15   20   30 o  263.036   12.771  880.646   83.889  876.978  115.304  884.770  122.277  259.575   17.898  260.092   18.957 -0.5169373 26.07079 
1 1 1  -15   20   31 o   76.395   16.226   77.991   29.999   86.877   38.161   63.616   48.536   79.987   19.322   70.179   23.515 9.808441 30.43469 
1 1 1  -15   20   32 o   78.060   16.472   81.704   31.099   93.232   40.184   64.487   49.108   82.622   19.745   70.395   23.652 12.22616 30.81094 
1 1 1  -15   20   33 o  106.168   14.304  147.459   36.958  169.889   48.405  116.108   57.228  112.792   17.774   90.719   24.629 22.07326 30.37254 
1 1 1  -15   20   34 o   98.044   14.196  126.264   33.745  118.427   43.384  138.268   53.694   93.094   19.296   99.611   22.158 -6.517509 29.38194 
1 1 1  -15   20   35 o  181.117   11.610  420.805   52.232  391.690   70.272  456.746   78.077  172.378   16.528  185.969   17.001 -13.59102 23.71037 
1 1 1  -15   20   36 o  260.049   12.753  869.659   82.817  854.003  114.083  887.101  120.416  253.425   18.147  257.702   18.842 -4.277451 26.16016 
1 1 1  -15   20   37 o  128.655   12.845  215.186   40.717  215.192   53.593  215.178   62.619  126.639   17.407  124.859   20.816 1.779518 27.13532 
1 1 1  -15   20   38 o  100.376   14.469  133.554   35.221  146.495   45.502  114.210   55.631  103.561   18.262   88.736   24.363 14.82475 30.44766 
1 1 1  -15   20   39 o  135.224   19.793  251.973   64.859  365.587  199.192  238.500   68.597  133.200   47.482  130.199   21.874 3.001144 52.27833 
1 1 1  -15   20   40 o   60.491   22.946   42.935   47.724   0.0000   0.0000   42.935   47.724  ?   ?    60.491   22.946 0.000000 22.94598 
1 1 1  -15   20   41 o   75.089   35.263 -31.0028  168.163   0.0000   0.0000 -31.0028  168.163  ?   ?    75.089   35.263 0.000000 35.26278 
1 1 1  -15   21    1 o  100.466   14.164  131.401   34.550  137.576   44.083  121.567   55.630  101.651   18.026   93.790   23.733 7.861404 29.80249 
1 1 1  -15   21    2 o  212.275   11.477  572.566   60.612  726.418   81.916  386.421   90.104  238.272   13.827  170.324   21.675 67.94791 25.70989 
1 1 1  -15   21    3 o   70.647   17.688   66.836   31.135   67.458   39.110   65.759   51.450   71.088   20.745   71.934   24.210 -0.8459167 31.88169 
1 1 1  -15   21    4 o   82.513   23.767   92.203   51.637  106.383   59.762   50.430  102.572   88.272   25.610   80.094   32.613 8.178101 41.46635 
1 1 1  -15   21    5 o  181.316   17.684  426.496   79.050  468.311   98.695  351.665  132.029  188.520   21.341  156.497   34.695 32.02296 40.73242 
1 1 1  -15   21    6 o   92.806   14.981  112.379   33.536  122.662   43.563   97.421   52.543   96.014   18.842   84.836   23.822 11.17734 30.37312 
1 1 1  -15   21    7 o  137.534   14.451  243.090   48.891  300.414   77.774  205.637   62.865  150.796   21.242  124.389   20.985 26.40616 29.85980 
1 1 1  -15   21    8 o  126.372   15.047  206.013   46.552  221.994   50.865  123.586  115.517  131.019   15.870   99.347   36.065 31.67166 39.40235 
1 1 1  -15   21    9 o   44.051   17.409   14.320   28.329  -9.3219   35.763   54.141   46.414   40.725   17.972   66.839   22.988 -26.11412 29.17972 
1 1 1  -15   21   10 o   72.112   17.370   69.135   30.907   81.527   39.194   48.756   50.262   78.056   20.013   65.856   23.807 12.20036 31.10151 
1 1 1  -15   21   11 o   88.175   15.355  101.634   32.582   79.970   41.513  136.390   52.581   77.356   20.966  100.856   21.532 -23.50027 30.05352 
1 1 1  -15   21   12 o  219.595   11.305  609.801   61.782  587.560   82.977  637.469   92.551  214.316   15.612  222.882   16.751 -8.565781 22.89812 
1 1 1  -15   21   13 o   54.545   18.635   35.396   30.489   38.689   39.470   30.525   48.008   58.859   21.120   58.934   22.845 -0.7481384E-01 31.11195 
1 1 1  -15   21   14 o  286.926   12.320  1040.09   88.275  1089.22  121.526  985.201  128.441  291.734   16.752  276.572   18.707 15.16174 25.11117 
1 1 1  -15   21   15 o  123.709   12.868  195.531   39.169  208.641   51.375  177.332   60.532  126.913   16.609  115.353   21.813 11.56051 27.41666 
1 1 1  -15   21   16 o  270.694   11.520  924.258   77.870  916.927  105.998  932.852  114.775  267.947   15.913  269.799   17.124 -1.852112 23.37664 
1 1 1  -15   21   17 o  189.598   11.512  455.028   54.248  460.961   72.666  447.559   81.535  189.807   15.465  186.303   17.740 3.504395 23.53460 
1 1 1  -15   21   18 o  183.145   11.889  425.097   54.081  405.185   71.963  450.935   81.975  177.594   16.412  186.992   17.769 -9.397751 24.18859 
1 1 1  -15   21   19 o  122.288   13.501  191.565   40.540  211.319   53.584  165.121   61.997  127.545   17.268  110.821   23.149 16.72381 28.87993 
1 1 1  -15   21   20 o  166.566   16.432  356.996   67.456  446.767  109.941  302.795   85.427  183.421   24.625  150.945   23.422 32.47560 33.98505 
1 1 1  -15   21   21 o  307.153   17.750  1211.60  135.562  1274.44  200.885  1159.06  183.694  310.095   26.187  296.366   25.056 13.72961 36.24266 
1 1 1  -15   21   22 o  171.306   16.442  377.809   69.471  470.157  115.239  325.089   87.071  187.758   25.216  156.538   22.956 31.21896 34.10017 
1 1 1  -15   21   23 o  131.142   19.014  225.517   60.451  109.906  102.396  287.368   74.896   94.262   33.995  147.674   20.893 -53.41201 39.90222 
1 1 1  -15   21   24 o  200.099   16.459  515.298   81.515  538.521  130.157  500.310  104.561  199.929   26.740  194.973   21.851 4.956909 34.53265 
1 1 1  -15   21   25 o  161.293   17.924  338.407   70.974  317.596  125.108  348.284   86.184  148.874   34.351  162.138   21.842 -13.26364 40.70686 
1 1 1  -15   21   26 o  168.995   12.407  363.946   51.994  433.220   70.085  279.147   77.542  183.487   15.439  144.578   22.186 38.90845 27.02938 
1 1 1  -15   21   27 o  355.000   13.877  1605.88  123.016  1589.15  169.350  1624.58  178.992  349.264   19.495  352.437   20.425 -3.172638 28.23527 
1 1 1  -15   21   28 o  157.529   11.953  316.606   46.670  288.739   61.742  353.753   71.284  148.798   16.917  164.596   17.616 -15.79832 24.42375 
1 1 1  -15   21   29 o  273.498   12.512  951.872   85.457  928.612  116.644  978.823  125.556  267.190   17.580  273.781   18.473 -6.590790 25.50097 
1 1 1  -15   21   30 o  209.760   11.571  560.684   60.377  541.140   81.903  583.946   89.354  204.100   16.203  211.629   17.052 -7.529022 23.52270 
1 1 1  -15   21   31 o  129.636   13.170  217.057   42.044  224.062   56.172  208.132   63.399  130.031   17.764  123.745   21.284 6.285698 27.72303 
1 1 1  -15   21   32 o  148.965   16.232  291.231   59.403  291.231   59.403   0.0000   0.0000  148.965   16.232  ?   ?  0.000000 16.23162 
1 1 1  -15   21   33 o  138.704   12.680  248.448   43.434  269.210   57.736  221.377   65.927  142.858   16.487  127.011   21.557 15.84711 27.13871 
1 1 1  -15   21   34 f  121.980   13.025  193.250   39.060  187.095   51.092  201.908   60.596  118.045   17.893  121.342   20.743 -3.296562 27.39396 
1 1 1  -15   21   35 o  118.482   13.121  182.815   38.170  181.075   49.582  185.347   59.804  116.042   17.668  115.554   21.517 0.4882813 27.84132 
1 1 1  -15   21   36 o   87.474   14.915  102.052   31.411   85.920   39.172  131.104   52.568   78.524   19.940   96.268   22.304 -17.74452 29.91776 
1 1 1  -15   21   37 o  159.452   12.835  330.043   50.675  329.867   67.525  330.271   76.675  156.887   17.535  155.275   20.257 1.612015 26.79251 
1 1 1  -15   21   38 o   78.941   16.246   84.888   30.959   98.802   38.648   59.971   51.718   84.299   18.834   67.654   24.186 16.64441 30.65435 
1 1 1  -15   21   39 o  175.186   12.636  399.398   54.910  371.990   73.858  433.267   82.103  165.540   18.165  178.341   18.714 -12.80156 26.08078 
1 1 1  -15   21   40 o  117.209   21.974  196.740   61.953   0.0000   0.0000  196.740   61.953  ?   ?   117.209   21.974 0.000000 21.97389 
1 1 1  -15   22    1 f  152.563   11.800  298.281   44.607  332.795   58.537  250.485   68.885  160.055   14.814  136.003   20.956 24.05191 25.66319 
1 1 1  -15   22    2 o   82.091   16.834   90.316   33.350  100.461   42.509   74.076   53.784   85.725   20.190   74.756   24.745 10.96930 31.93663 
1 1 1  -15   22    3 o   72.411   17.450   70.614   31.183   81.365   39.507   52.848   50.786   77.303   20.231   66.617   23.951 10.68591 31.35190 
1 1 1  -15   22    4 o  193.996   11.696  479.296   56.396  615.229   75.470  307.402   84.867  219.041   13.869  150.632   23.315 68.40929 27.12798 
1 1 1  -15   22    5 o  130.365   12.399  217.757   39.878  176.116   51.098  282.630   63.779  115.308   18.362  146.889   17.747 -31.58067 25.53667 
1 1 1  -15   22    6 o  187.845   14.077  452.413   65.555  532.309   74.577  180.851  137.492  203.579   14.770  112.823   39.522 90.75625 42.19152 
1 1 1  -15   22    7 o  118.857   21.114  189.298   60.373  195.543   70.574  172.256  116.578  119.595   24.456  110.229   36.427 9.365952 43.87540 
1 1 1  -15   22    8 f  249.436   16.431  801.043  101.771  977.724  142.134  615.159  145.789  273.156   20.998  212.258   28.203 60.89813 35.16145 
1 1 1  -15   22    9 o  105.017   13.889  142.565   35.529  126.631   45.338  167.923   57.193   97.395   19.323  111.899   21.245 -14.50440 28.71798 
1 1 1  -15   22   10 o  191.787   11.394  466.462   54.324  455.987   71.974  480.330   82.812  188.408   15.433  192.686   17.398 -4.278137 23.25668 
1 1 1  -15   22   11 o  144.805   11.892  266.934   42.622  250.222   55.395  291.185   66.730  139.003   16.266  149.428   18.263 -10.42470 24.45651 
1 1 1  -15   22   12 o   47.488   17.895   21.772   28.906   32.401   36.553   4.0323   47.225   55.159   20.247   50.563   21.472 4.596062 29.51290 
1 1 1  -15   22   13 o   92.891   15.635  112.882   34.980  148.089   45.280   60.773   55.087  106.128   17.710   71.201   25.012 34.92701 30.64679 
1 1 1  -15   22   14 f  190.734   11.486  461.096   54.451  400.082   71.519  545.236   83.986  176.213   16.443  205.918   16.471 -29.70477 23.27343 
1 1 1  -15   22   15 o  269.706   12.016  919.671   80.930  940.521  110.021  895.088  119.467  270.863   16.342  263.360   18.279 7.503326 24.51895 
1 1 1  -15   22   16 o  283.140   12.229  1013.98   86.467  968.854  117.620  1067.04  127.547  274.538   17.244  287.880   17.830 -13.34216 24.80448 
1 1 1  -15   22   17 o  138.355   12.459  244.103   42.584  220.399   55.750  277.304   65.979  130.032   17.623  145.805   18.540 -15.77289 25.57937 
1 1 1  -15   22   18 o  196.262   11.688  488.341   57.025  471.882   76.164  509.338   86.024  191.628   16.064  198.616   17.524 -6.987534 23.77291 
1 1 1  -15   22   19 o  273.869   11.932  948.283   81.607  889.813  110.492  1018.46  121.048  263.152   16.903  281.411   17.309 -18.25934 24.19363 
1 1 1  -15   22   20 o  202.537   11.688  520.130   58.862  538.010   78.680  497.403   88.706  204.835   15.497  195.872   18.349 8.962646 24.01764 
1 1 1  -15   22   21 f  147.535   12.360  277.438   45.116  253.932   59.542  309.129   69.135  139.676   17.452  153.999   18.338 -14.32384 25.31490 
1 1 1  -15   22   22 o  127.440   12.970  208.042   40.700  171.647   53.003  260.338   63.536  113.827   19.339  141.044   18.484 -27.21725 26.75159 
1 1 1  -15   22   23 o  106.877   13.944  147.657   36.329  126.265   46.714  180.396   57.791   97.051   19.942  116.241   20.666 -19.19042 28.71875 
1 1 1  -15   22   24 o  288.733   12.446  1057.53   89.735  1036.71  122.281  1081.82  132.097  283.296   17.369  288.825   18.411 -5.529358 25.31081 
1 1 1  -15   22   25 o  390.900   13.861  1947.53  135.308  1811.22  186.331  2099.60  196.807  372.335   20.115  401.795   19.615 -29.45996 28.09530 
1 1 1  -15   22   26 o  270.753   12.287  931.063   83.076  851.182  112.440  1027.09  123.281  256.021   17.696  281.371   17.635 -25.35040 24.98233 
1 1 1  -15   22   27 o  176.377   12.085  397.021   52.905  360.215   70.162  445.529   80.547  166.134   17.159  184.694   17.680 -18.55986 24.63784 
1 1 1  -15   22   28 o  213.012   12.155  579.066   64.390  538.348   86.515  629.629   96.408  203.165   17.214  219.533   17.737 -16.36810 24.71737 
1 1 1  -15   22   29 o  101.778   14.000  135.079   34.641  120.546   44.466  157.515   55.250   94.271   19.531  107.392   21.354 -13.12012 28.93846 
1 1 1  -15   22   30 o  122.916   18.531  201.846   55.114  224.503  119.076  195.669   62.175  120.633   36.449  119.643   21.605 0.9903641 42.37115 
1 1 1  -15   22   31 o  160.052   15.388  334.457   60.744  328.457   64.641  379.762  177.629  158.027   16.630  149.001   44.405 9.026047 47.41664 
1 1 1  -15   22   32 o  134.267   12.365  232.655   40.991  217.504   53.801  253.622   63.289  127.833   17.298  137.390   18.951 -9.556778 25.65884 
1 1 1  -15   22   33 o  169.382   12.167  369.382   51.121  364.167   68.435  375.965   76.892  165.981   16.740  167.555   18.696 -1.573929 25.09471 
1 1 1  -15   22   34 o   89.802   14.614  107.052   31.644   80.092   39.509  155.296   52.851   75.844   20.411  105.872   20.732 -30.02792 29.09344 
1 1 1  -15   22   35 o  131.973   13.010  226.586   42.317  216.412   55.417  240.817   65.539  126.676   18.027  132.389   20.486 -5.713593 27.28820 
1 1 1  -15   22   36 o   92.084   14.340  112.583   31.902   85.824   39.606  162.022   53.834   78.265   20.146  107.830   20.746 -29.56566 28.91779 
1 1 1  -15   22   37 o  177.383   12.900  408.977   56.752  420.509   76.245  394.651   84.984  177.045   17.473  169.313   20.519 7.732605 26.95103 
1 1 1  -15   22   38 o  126.622   13.102  210.092   40.829  186.297   52.403  246.855   65.135  116.430   18.653  133.366   20.189 -16.93582 27.48708 
1 1 1  -15   22   39 o  135.508   12.947  240.740   43.278  208.708   55.929  288.546   68.326  122.931   18.818  144.438   19.437 -21.50624 27.05354 
1 1 1  -15   22   40 f  162.914   13.945  350.902   56.185  353.480   76.921  347.953   82.264  159.235   19.770  156.426   21.639 2.809662 29.31040 
1 1 1  -15   23    1 o  133.600   16.102  236.345   52.637  303.722   74.869  170.491   74.018  149.127   20.660  107.637   27.451 41.49046 34.35696 
1 1 1  -15   23    2 o  107.354   18.403  155.724   47.561  165.766   67.045  145.550   67.480  107.588   25.368  100.255   26.538 7.332741 36.71210 
1 1 1  -15   23    3 o  176.428   11.646  398.639   51.019  460.793   67.559  316.149   77.831  188.497   14.463  152.764   20.954 35.73232 25.46097 
1 1 1  -15   23    4 o  185.299   11.732  439.121   54.008  492.626   71.661  368.770   82.172  194.959   14.831  165.871   20.259 29.08829 25.10740 
1 1 1  -15   23    5 o  158.990   11.875  323.513   46.805  386.017   61.191  235.377   72.663  172.833   14.306  130.990   23.056 41.84402 27.13396 
1 1 1  -15   23    6 o  234.270   18.875  721.416  109.485   0.0000   0.0000  721.416  109.485  ?   ?   234.270   18.875 0.000000 18.87496 
1 1 1  -15   23    7 o  113.443   17.548  170.296   48.106  170.296   48.106   0.0000   0.0000  113.443   17.548  ?   ?  0.000000 17.54769 
1 1 1  -15   23    8 o  113.909   13.601  167.772   37.924  215.519   48.235   90.473   61.373  128.761   15.301   81.989   26.388 46.77232 30.50338 
1 1 1  -15   23    9 o   96.243   22.958  127.152   54.403  131.909   61.472  109.964  116.845   97.502   25.099   94.737   35.912 2.764954 43.81314 
1 1 1  -15   23   10 o  109.770   21.771  163.158   57.571  160.729   65.668  171.225  119.679  107.863   24.886  109.584   36.924 -1.720757 44.52728 
1 1 1  -15   23   11 o   41.328   17.835  -1.8089   33.562   29.456   47.372 -33.3181   47.557   57.907   22.625   42.190   19.449 15.71686 29.83550 
1 1 1  -15   23   12 o  101.394   14.523  133.683   35.722  121.774   45.690  152.409   57.295   95.177   19.866  105.942   22.359 -10.76471 29.90961 
1 1 1  -15   23   13 o  203.269   11.596  524.706   58.617  520.647   78.062  529.955   88.759  201.100   15.668  202.039   17.773 -0.9388580 23.69348 
1 1 1  -15   23   14 o  136.577   12.550  238.537   42.323  218.342   54.801  268.386   66.623  129.197   17.431  142.836   19.161 -13.63864 25.90327 
1 1 1  -15   23   15 o  246.917   11.852  772.056   73.081  738.823   97.696  814.278  110.120  239.486   16.435  250.869   17.691 -11.38290 24.14753 
1 1 1  -15   23   16 o   99.556   15.335  129.401   36.899  111.084   47.829  156.333   57.996   90.529   21.480  107.446   22.343 -16.91753 30.99392 
1 1 1  -15   23   17 o  238.519   11.770  720.267   70.104  701.781   94.161  743.258  105.008  233.467   16.252  239.647   17.671 -6.180298 24.00869 
1 1 1  -15   23   18 o  208.251   11.858  550.927   61.411  508.582   81.299  607.197   93.717  198.447   16.557  216.550   17.479 -18.10271 24.07593 
1 1 1  -15   23   19 o   57.535   18.959   41.371   31.588   60.869   40.408   10.737   50.650   68.252   21.347   53.797   22.506 14.45475 31.01902 
1 1 1  -15   23   20 o  123.541   13.578  196.434   41.196  209.274   53.977  178.518   63.758  126.342   17.585  114.627   23.073 11.71516 29.01014 
1 1 1  -15   23   21 o  213.757   11.815  580.739   62.824  559.988   83.280  608.141   95.701  208.313   16.135  216.353   17.873 -8.040405 24.07922 
1 1 1  -15   23   22 o  161.673   12.301  333.629   49.290  347.157   65.108  315.465   75.442  163.682   16.139  154.453   20.032 9.229019 25.72421 
1 1 1  -15   23   23 o  126.475   13.240  205.798   41.195  201.722   53.680  211.638   64.253  123.728   17.893  125.517   21.258 -1.788406 27.78636 
1 1 1  -15   23   24 o   77.374   17.475   80.331   32.966   61.893   41.296  112.725   54.736   68.582   21.601   90.363   23.892 -21.78043 32.20941 
1 1 1  -15   23   25 o  250.870   11.946  799.754   74.841  761.920  100.142  847.620  112.638  242.374   16.646  255.027   17.798 -12.65344 24.36986 
1 1 1  -15   23   26 o  379.222   14.178  1842.74  134.265  1738.44  184.300  1960.70  195.998  362.904   20.420  385.445   20.436 -22.54120 28.88927 
1 1 1  -15   23   27 o   82.909   16.444   91.842   32.843   87.161   41.444   99.744   53.851   79.766   20.646   84.750   24.230 -4.983841 31.83281 
1 1 1  -15   23   28 o  146.814   12.579  277.208   45.673  271.359   59.864  285.353   70.649  143.539   17.034  145.909   19.910 -2.370102 26.20184 
1 1 1  -15   23   29 o  164.246   12.548  346.906   51.078  324.065   67.639  377.216   77.917  156.543   17.608  168.361   18.857 -11.81798 25.79976 
1 1 1  -15   23   30 o  132.742   14.075  229.440   45.944  232.458   62.996  226.011   67.152  131.072   19.870  128.270   21.741 2.802292 29.45279 
1 1 1  -15   23   31 o  188.968   12.407  459.595   58.220  443.849   77.306  480.227   88.495  183.269   17.089  189.516   18.953 -6.246964 25.51965 
1 1 1  -15   23   32 o  124.034   12.653  199.569   38.642  163.808   49.596  254.813   61.643  109.801   18.762  137.673   18.390 -27.87193 26.27161 
1 1 1  -15   23   33 f  156.321   12.296  315.709   47.610  298.593   62.570  339.245   73.374  149.730   17.038  158.607   18.897 -8.876846 25.44400 
1 1 1  -15   23   34 o  112.789   13.905  167.126   38.334  169.838   49.326  162.989   60.915  111.784   18.304  106.847   23.472 4.937698 29.76516 
1 1 1  -15   23   35 o   78.849   16.318   84.547   31.071   83.214   38.274   87.122   53.211   77.125   19.778   78.160   24.504 -1.034874 31.49007 
1 1 1  -15   23   36 o   74.265   16.687   75.618   30.192   55.227   36.822  117.449   52.741   63.697   20.433   90.122   23.273 -26.42504 30.97020 
1 1 1  -15   23   37 o  115.488   13.823  176.034   39.072  183.592   50.141  164.349   62.344  115.972   17.889  106.114   24.079 9.858215 29.99730 
1 1 1  -15   23   38 o  196.675   13.312  506.212   64.996  530.518   88.034  477.087   96.366  197.674   18.033  184.538   21.303 13.13606 27.91046 
1 1 1  -15   23   39 o   46.944   16.976   26.116   25.558   25.924   29.793   26.652   49.735   48.343   18.177   55.574   22.678 -7.230827 29.06369 
1 1 1  -15   24    1 o  145.471   12.207  275.016   43.933  276.639   57.607  272.759   67.921  143.734   16.340  140.508   19.915 3.226181 25.76045 
1 1 1  -15   24    2 o  133.709   12.323  232.195   40.684  246.740   52.971  211.274   63.530  136.195   15.873  122.868   21.488 13.32658 26.71491 
1 1 1  -15   24    3 o  151.641   15.802  304.024   58.959  392.437   83.760  217.198   83.005  169.689   20.161  120.898   28.038 48.79121 34.53417 
1 1 1  -15   24    4 o   69.686   20.814   66.849   38.994   80.354   53.707   51.793   56.707   76.092   24.705   66.563   25.068 9.529076 35.19556 
1 1 1  -15   24    5 o   68.581   20.679   64.184   38.356   73.740   57.302   56.426   51.629   74.278   25.543   67.243   24.152 7.034973 35.15308 
1 1 1  -15   24    6 o   64.779   20.430   56.008   36.931   77.670   38.898 -142.0655  117.622   75.080   20.272   57.003   27.509 18.07629 34.17173 
1 1 1  -15   24    7 o  130.809   12.645  220.795   40.790  237.962   52.058  193.495   65.649  134.676   15.778  118.081   23.091 16.59459 27.96689 
1 1 1  -15   24    8 o   82.969   16.561   92.251   33.110  102.754   41.685   74.300   54.498   86.704   19.700   74.720   24.917 11.98425 31.76370 
1 1 1  -15   24    9 o  146.212   12.006  274.049   43.449  273.802   56.221  274.415   68.463  144.792   15.806  143.298   19.650 1.494766 25.21779 
1 1 1  -15   24   10 o   91.008   15.570  109.496   34.112  119.255   43.486   93.885   55.003   93.893   19.195   82.496   24.738 11.39726 31.31115 
1 1 1  -15   24   11 o   55.152   18.818   37.285   31.091   74.020   38.640 -30.1630   52.358   73.812   20.321   45.125   20.656 28.68662 28.97590 
1 1 1  -15   24   12 o   89.059   22.918  109.497   51.265  101.773   56.479  145.636  122.168   85.785   24.899  102.495   37.107 -16.71053 44.68644 
1 1 1  -15   24   13 o   60.649   22.614   39.666   45.926   32.993   50.093   74.847  115.019   59.775   23.290   86.599   34.793 -26.82357 41.86871 
1 1 1  -15   24   14 o   96.833   18.138  125.290   42.247  111.950   59.629  138.735   59.865   89.804   25.435  100.020   24.225 -10.21552 35.12498 
1 1 1  -15   24   15 o  158.687   12.298  321.978   48.352  303.804   63.011  348.006   75.408  152.568   16.818  162.505   18.937 -9.937302 25.32737 
1 1 1  -15   24   16 o  198.556   11.708  502.020   57.793  468.301   76.337  547.301   88.462  190.044   16.241  204.982   17.448 -14.93770 23.83697 
1 1 1  -15   24   17 o  105.486   14.988  145.269   38.369  134.710   49.135  161.771   61.425   99.784   20.407  108.500   23.362 -8.715904 31.01944 
1 1 1  -15   24   18 o  202.414   12.126  522.404   61.010  560.651   81.314  473.136   92.288  208.264   15.751  189.345   19.812 18.91956 25.31026 
1 1 1  -15   24   19 o  153.596   12.600  302.152   47.904  317.739   62.493  279.946   74.594  156.267   16.252  144.506   21.311 11.76134 26.80102 
1 1 1  -15   24   20 o   94.870   15.784  118.628   36.079  139.812   46.014   84.816   58.133  102.210   18.718   79.537   25.691 22.67266 31.78638 
1 1 1  -15   24   21 o  100.970   15.343  133.751   37.469  160.209   48.237   93.502   59.495  109.710   18.248   82.775   25.904 26.93425 31.68606 
1 1 1  -15   24   22 o   68.634   18.277   63.509   31.883   35.927   39.840  112.632   53.169   57.243   21.118   90.170   23.407 -32.92658 31.52603 
1 1 1  -15   24   23 o  215.212   11.798  590.710   63.164  649.437   84.430  516.059   95.191  224.179   15.171  197.503   19.558 26.67589 24.75204 
1 1 1  -15   24   24 o   98.751   15.311  128.342   36.535  149.097   46.582   95.168   58.893  105.528   18.343   83.050   25.737 22.47810 31.60463 
1 1 1  -15   24   25 o  208.675   11.841  556.340   61.449  527.588   81.321  594.605   93.815  201.148   16.331  212.771   17.821 -11.62335 24.17167 
1 1 1  -15   24   26 o  112.810   14.115  165.945   38.892  142.477   49.467  203.932   62.937  102.246   20.091  122.217   21.402 -19.97159 29.35404 
1 1 1  -15   24   27 o   95.522   15.000  120.484   34.602  111.595   43.616  135.578   56.836   90.190   19.899   98.233   23.487 -8.042892 30.78393 
1 1 1  -15   24   28 o   82.662   16.833   92.192   33.566   96.760   42.060   84.179   55.702   83.644   20.334   78.085   25.140 5.559517 32.33448 
1 1 1  -15   24   29 o  205.970   13.765  549.401   70.390  527.234  103.415  568.534   96.081  196.908   21.375  206.379   18.851 -9.471313 28.50011 
1 1 1  -15   24   30 o  132.458   17.884  235.242   57.644  235.242   57.644   0.0000   0.0000  132.458   17.884  ?   ?  0.000000 17.88443 
1 1 1  -15   24   31 o   87.694   16.384  103.731   34.559   75.682   43.087  154.323   57.867   73.655   21.852  104.421   22.829 -30.76602 31.60115 
1 1 1  -15   24   32 o  116.543   13.670  177.997   39.029  146.356   49.772  228.521   62.894  102.771   20.114  128.983   20.189 -26.21163 28.49808 
1 1 1  -15   24   33 o   76.831   16.783   80.645   31.300   63.398   38.798  112.792   52.970   67.780   20.871   88.492   23.554 -20.71176 31.47057 
1 1 1  -15   24   34 o   95.563   14.792  121.729   34.160  120.775   42.659  123.434   57.031   93.431   18.932   92.024   24.415 1.407143 30.89533 
1 1 1  -15   24   35 o   48.478   17.161   28.320   25.975   23.532   30.879   39.906   48.035   48.072   18.404   59.822   22.942 -11.75002 29.41167 
1 1 1  -15   24   36 o  124.574   12.910  203.268   39.578  155.077   49.754  286.313   65.312  105.457   19.615  144.816   18.482 -39.35851 26.95027 
1 1 1  -15   24   37 o   83.923   16.237   96.359   32.797   93.486   39.594  102.638   58.542   81.187   19.724   82.939   25.653 -1.752724 32.35955 
1 1 1  -15   24   38 o  104.841   15.368  148.339   39.039  172.746   50.210  111.032   62.078  111.411   18.711   85.331   26.421 26.08004 32.37499 
1 1 1  -15   24   39 o   26.517   12.396 -18.0198   20.383 -20.9207   22.484  -4.6426   48.283   27.530   12.917   46.746   20.743 -19.21653 24.43652 
1 1 1  -15   25    1 o   38.914   16.667   2.8912   28.895  -5.4580   38.462   13.709   43.781   41.824   18.539   49.437   20.816 -7.612804 27.87475 
1 1 1  -15   25    2 o  120.795   13.106  192.420   38.900  215.876   51.360  160.861   59.574  126.021   16.734  104.545   23.403 21.47544 28.77016 
1 1 1  -15   25    3 o   89.407   16.395  109.131   35.256  140.888   45.931   63.584   55.007  100.554   18.988   68.833   24.902 31.72163 31.31530 
1 1 1  -15   25    4 o  105.082   14.728  147.094   37.585  112.753   48.327  199.663   59.792   88.626   21.951  119.385   20.813 -30.75891 30.24888 
1 1 1  -15   25    5 o   88.624   17.321  107.379   36.959  140.096   45.661   45.216   62.939  100.836   18.826   65.474   25.925 35.36188 32.03918 
1 1 1  -15   25    6 o   97.827   18.823  131.528   44.314  182.702   61.094   74.710   64.375  113.873   22.282   74.782   26.957 39.09132 34.97417 
1 1 1  -15   25    7 f   79.298   17.289   85.837   33.271   88.185   41.934   81.848   54.662   79.341   20.881   76.564   24.927 2.777161 32.51696 
1 1 1  -15   25    8 o   72.638   17.546   72.145   31.469   58.261   38.982   98.121   53.321   65.792   21.015   83.100   24.214 -17.30764 32.06206 
1 1 1  -15   25    9 o   94.413   15.231  118.318   34.688  103.075   43.507  144.914   57.470   86.184   20.512  101.356   23.206 -15.17157 30.97197 
1 1 1  -15   25   10 o  141.769   12.367  259.127   43.342  283.275   55.849  222.561   68.726  147.023   15.442  126.804   22.529 20.21870 27.31353 
1 1 1  -15   25   11 o  151.003   12.090  293.105   45.206  304.685   58.509  275.954   71.205  152.570   15.575  142.738   20.571 9.832199 25.80191 
1 1 1  -15   25   12 o   70.708   17.908   67.974   31.654   41.531   39.265  117.060   53.497   58.985   21.076   91.330   23.362 -32.34487 31.46385 
1 1 1  -15   25   13 o   98.768   15.114  128.583   36.092  165.185   45.889   69.223   58.439  111.492   17.022   73.371   25.763 38.12023 30.87809 
1 1 1  -15   25   14 o  121.881   13.456  192.573   40.271  185.892   50.755  203.926   66.166  118.160   17.750  121.695   22.605 -3.535263 28.74066 
1 1 1  -15   25   15 o   66.870   23.550   55.617   48.858   73.004   52.635 -52.6759  131.359   74.028   24.477   70.374   32.399 3.654564 40.60582 
1 1 1  -15   25   16 o   86.589   24.017  104.746   53.751  125.088   58.335  -9.6211  138.321   94.320   24.535   77.376   34.669 16.94353 42.47249 
1 1 1  -15   25   17 o   43.104   19.056  -8.9479   40.378 -22.9064   42.315  133.130  135.001   41.008   18.694   99.764   38.411 -58.75541 42.71865 
1 1 1  -15   25   18 f  148.227   14.724  285.419   53.781  293.409   77.670  278.059   74.543  147.064   21.810  143.260   21.501 3.804672 30.62613 
1 1 1  -15   25   19 o   46.359   18.092   18.565   30.266 -10.6089   37.838   70.386   50.429   41.221   18.324   72.779   23.954 -31.55833 30.15895 
1 1 1  -15   25   20 o  131.682   13.006  223.874   42.208  180.054   54.063  292.272   67.545  115.605   19.416  148.268   18.656 -32.66280 26.92605 
1 1 1  -15   25   21 o  199.557   11.902  509.443   59.042  451.805   77.579  588.782   91.020  185.620   16.923  211.818   17.360 -26.19778 24.24354 
1 1 1  -15   25   22 o   74.207   18.060   74.882   33.149   53.587   41.407  112.892   55.320   64.515   21.719   89.576   24.171 -25.06071 32.49543 
1 1 1  -15   25   23 o   47.565   18.100   22.208   29.752   20.090   36.678   26.282   50.876   49.796   19.767   57.493   23.126 -7.696388 30.42269 
1 1 1  -15   25   24 o  181.221   12.210  421.690   54.935  453.844   72.376  377.989   84.377  186.393   15.696  167.334   20.629 19.05881 25.92131 
1 1 1  -15   25   25 o  132.937   12.784  228.595   41.917  214.344   53.585  251.066   67.285  126.862   17.371  135.930   20.456 -9.067833 26.83666 
1 1 1  -15   25   26 o  147.365   12.504  280.353   45.580  266.727   58.823  300.830   72.107  141.802   16.947  149.155   19.852 -7.352448 26.10243 
1 1 1  -15   25   27 o   83.209   16.485   93.467   33.043   86.064   40.920  107.342   56.017   78.617   20.596   86.645   24.691 -8.027466 32.15387 
1 1 1  -15   25   28 o  119.328   20.283  195.574   58.277  265.526  122.525  175.122   66.250  127.881   36.543  110.519   24.634 17.36115 44.07088 
1 1 1  -15   25   29 o  226.628   17.010  680.680   95.563  680.680   95.563   0.0000   0.0000  226.628   17.010  ?   ?  0.000000 17.00998 
1 1 1  -15   25   30 o   36.669   15.792  -0.0764   26.205  -9.6309   31.482   21.479   47.287   37.232   16.621   54.080   22.096 -16.84826 27.64916 
1 1 1  -15   25   31 o   70.359   17.847   68.346   31.405   60.776   38.567   83.246   54.107   66.518   20.863   76.662   24.788 -10.14402 32.39893 
1 1 1  -15   25   32 o   52.674   18.045   35.064   28.589   46.213   34.434   10.326   51.292   59.241   19.806   52.435   22.325 6.806267 29.84465 
1 1 1  -15   25   33 o   64.598   18.251   57.661   30.743   75.192   37.225   20.056   54.521   73.157   19.865   56.053   23.391 17.10363 30.68795 
1 1 1  -15   25   34 o   70.457   18.038   69.078   31.872   77.185   38.828   52.331   55.805   73.864   20.384   65.583   24.828 8.280205 32.12400 
1 1 1  -15   25   35 o  113.752   14.368  171.905   39.902  172.018   50.806  171.723   64.462  111.451   18.932  107.992   24.470 3.458809 30.93859 
1 1 1  -15   25   36 o  119.288   13.503  187.986   39.515  165.085   49.807  226.883   64.913  108.868   19.012  126.466   21.312 -17.59828 28.56025 
1 1 1  -15   25   37 o  103.237   15.368  144.053   38.411  138.098   48.727  153.827   62.425   98.279   20.517  101.041   24.901 -2.761406 32.26468 
1 1 1  -15   25   38 o   73.803   17.757   76.836   32.328   78.412   38.917   73.329   58.066   73.601   20.444   71.528   25.622 2.073235 32.77835 
1 1 1  -15   26    1 o   63.169   24.233   52.993   53.605   47.433   59.178   78.418  126.542   62.504   25.012   77.621   34.046 -15.11776 42.24550 
1 1 1  -15   26    2 o   88.537   26.237  124.392   62.144  148.604   70.440   39.391  131.983   95.576   27.826   74.003   33.449 21.57267 43.51024 
1 1 1  -15   26    3 o   44.972   17.900   18.166   30.152  -2.1733   39.584   46.278   46.537   43.084   18.966   60.394   22.716 -17.30957 29.59263 
1 1 1  -15   26    4 o   52.299   20.245   29.508   37.660  -8.0431   58.087   56.738   49.465   50.138   22.466   64.921   23.595 -14.78289 32.57964 
1 1 1  -15   26    5 o   83.304   18.298   97.440   37.024  127.345   43.837   23.021   69.152   95.101   19.122   60.601   25.865 34.50055 32.16577 
1 1 1  -15   26    6 f   50.442   18.527   29.775   30.611   52.768   39.046  -6.8985   49.311   62.418   21.090   47.070   20.921 15.34801 29.70667 
1 1 1  -15   26    7 o   57.567   18.570   44.489   30.381   37.395   37.930   57.186   50.744   55.950   20.612   66.136   23.919 -10.18598 31.57479 
1 1 1  -15   26    8 o  120.488   17.059  196.140   49.893  244.466   69.826  145.730   71.316  131.687   22.010   97.954   27.841 33.73291 35.49058 
1 1 1  -15   26    9 o   97.317   19.228  131.172   45.071  161.596   62.393   97.971   65.179  105.593   24.182   82.149   27.242 23.44440 36.42704 
1 1 1  -15   26   10 o   98.830   15.160  130.200   36.221  126.633   45.797  136.159   59.191   95.435   19.863   96.863   24.464 -1.427666 31.51244 
1 1 1  -15   26   11 o   54.960   18.515   38.642   30.094   65.753   37.617  -9.5567   50.157   68.953   20.409   47.473   21.100 21.48085 29.35513 
1 1 1  -15   26   12 o   53.036   18.530   34.503   30.215   38.776   37.852   26.997   50.163   57.038   20.654   56.926   22.940 0.1124573 30.86781 
1 1 1  -15   26   13 o   91.762   15.909  112.774   35.133  143.890   44.662   62.262   56.905  103.041   18.013   69.990   25.327 33.05157 31.07936 
1 1 1  -15   26   14 o  131.076   12.899  222.914   41.673  194.393   53.026  268.986   67.395  120.083   18.258  140.828   19.704 -20.74509 26.86254 
1 1 1  -15   26   15 o   73.919   18.547   75.077   34.179   62.126   43.168   96.839   55.957   67.991   22.152   82.626   24.991 -14.63425 33.39561 
1 1 1  -15   26   16 o  295.661   12.758  1122.74   94.194  1198.75  126.985  1029.77  140.450  301.941   16.910  276.556   20.483 25.38403 26.56066 
1 1 1  -15   26   17 o  130.928   13.428  222.842   43.283  212.005   55.226  240.097   69.689  125.691   18.118  131.914   21.925 -6.223106 28.44255 
1 1 1  -15   26   18 o  132.381   16.831  232.662   54.380  257.617   58.066   54.582  155.115  139.282   17.051   87.508   38.052 51.77427 41.69722 
1 1 1  -15   26   19 o  110.477   21.790  169.507   57.980  162.951   62.112  213.920  161.655  107.305   23.803  114.064   42.448 -6.759201 48.66628 
1 1 1  -15   26   20 f   45.474   19.567   1.5911   40.158 -13.2989   41.658  197.230  151.001   42.515   19.040  110.720   41.061 -68.20445 45.26027 
1 1 1  -15   26   21 o  104.085   21.212  150.346   53.264  135.408   56.735  261.324  154.641   97.675   23.538  123.697   41.970 -26.02221 48.11995 
1 1 1  -15   26   22 o   43.820   18.097   9.9984   32.156   13.493   40.983   4.4013   51.864   49.300   20.402   51.661   22.233 -2.361572 30.17499 
1 1 1  -15   26   23 o   86.287   18.548  102.133   38.776  139.053   51.958   55.719   58.257   99.747   21.493   68.148   25.458 31.59870 33.31794 
1 1 1  -15   26   24 o  117.044   14.103  179.727   40.390  147.355   51.545  231.222   65.012  103.004   20.756  129.652   20.782 -26.64764 29.37219 
1 1 1  -15   26   25 o   98.325   15.269  128.709   36.274   85.970   45.350  204.626   60.441   78.075   22.205  121.803   20.606 -43.72775 30.29292 
1 1 1  -15   26   26 o   62.997   18.772   54.118   31.747   39.366   39.459   81.194   53.458   57.611   21.053   76.059   24.644 -18.44829 32.41202 
1 1 1  -15   26   27 o  124.961   13.861  204.834   42.524  208.298   54.711  199.547   67.587  123.953   18.219  118.196   23.723 5.757141 29.91174 
1 1 1  -15   26   28 o  211.317   14.378  584.272   75.421  595.438  109.469  574.181  104.060  207.746   21.408  204.648   20.644 3.098206 29.74029 
1 1 1  -15   26   29 o   83.293   17.221   95.076   34.635  107.892   43.396   72.587   57.486   87.602   20.244   72.875   25.554 14.72691 32.60048 
1 1 1  -15   26   30 o   45.093   17.590   18.740   28.601   24.825   34.205   4.5947   52.146   49.916   19.302   51.287   22.182 -1.371445 29.40398 
1 1 1  -15   26   31 o   93.600   16.412  118.870   36.962  134.965   46.451   91.089   61.026   98.355   19.601   79.296   26.363 19.05950 32.85120 
1 1 1  -15   26   32 o   53.528   18.225   36.827   29.159   40.790   35.110   28.017   52.348   56.707   19.965   57.287   23.309 -0.5793457 30.69027 
1 1 1  -15   26   33 o  118.996   13.948  187.307   40.662  157.417   51.106  238.869   67.124  105.890   20.062  130.081   21.409 -24.19147 29.33959 
1 1 1  -15   26   34 o   99.076   16.608  133.913   39.635  154.340   50.699  101.808   63.561  104.593   20.142   82.347   26.883 22.24579 33.59110 
1 1 1  -15   26   35 o   57.567   18.537   45.035   30.282   46.103   36.055   42.480   55.793   58.884   20.260   61.916   24.443 -3.032345 31.74791 
1 1 1  -15   26   36 o   35.259   15.255  -0.2137   24.680   13.981   28.010 -49.5049   52.195   42.486   17.134   40.480   19.201 2.006550 25.73455 
1 1 1  -15   26   37 o  124.195   18.977  216.434   56.987  213.852   58.914  253.987  224.691  122.799   19.892  104.757   45.671 18.04183 49.81559 
1 1 1  -15   27    1 o   52.648   22.659   18.343   53.880   4.3411   59.018   88.406  132.020   51.215   22.818   76.496   34.101 -25.28094 41.03139 
1 1 1  -15   27    2 o   87.123   26.864  126.587   64.253  149.925   72.482   40.960  138.837   93.366   28.488   72.336   33.305 21.02985 43.82672 
1 1 1  -15   27    3 o   89.007   37.478  156.889  141.909   0.0000   0.0000  156.889  141.909  ?   ?    89.007   37.478 0.000000 37.47756 
1 1 1  -15   27    4 o   63.893   25.428   51.184   60.836   51.184   60.836   0.0000   0.0000   63.893   25.428  ?   ?  0.000000 25.42801 
1 1 1  -15   27    5 o   82.069   17.467   95.228   34.699  118.282   44.891   61.008   54.692   89.937   20.450   66.316   24.688 23.62159 32.05812 
1 1 1  -15   27    6 o   76.648   17.758   83.212   33.324   72.028   42.471  101.125   53.749   70.143   21.876   81.338   24.469 -11.19576 32.82185 
1 1 1  -15   27    7 f  151.985   12.516  303.425   47.081  305.887   60.870  299.760   74.277  149.927   16.533  144.785   21.169 5.142212 26.86054 
1 1 1  -15   27    8 o   43.202   17.455   14.369   29.126   23.024   36.415  -1.0001   48.525   49.566   19.690   47.765   21.013 1.801250 28.79665 
1 1 1  -15   27    9 o   59.299   18.738   48.286   31.054   34.860   38.512   73.242   52.506   54.798   20.654   71.622   24.455 -16.82348 32.01018 
1 1 1  -15   27   10 o  119.925   13.980  190.627   41.082  205.711   49.938  159.043   72.260  123.205   16.658  101.396   27.736 21.80921 32.35442 
1 1 1  -15   27   11 o   42.315   18.314   0.8476   35.595   28.429   48.358 -31.7687   52.587   55.967   22.534   43.831   20.292 12.13564 30.32400 
1 1 1  -15   27   12 o   80.908   20.775   93.258   42.192  153.488   60.963   37.884   58.454  102.287   24.238   61.867   24.822 40.41914 34.69341 
1 1 1  -15   27   13 o   90.033   16.363  110.126   35.434  111.301   44.423  108.070   58.750   88.728   20.466   85.542   25.547 3.186272 32.73447 
1 1 1  -15   27   14 o   99.592   15.410  132.905   37.086  132.665   47.069  133.298   60.225   97.379   20.025   95.142   25.017 2.236961 32.04427 
1 1 1  -15   27   15 o   42.768   17.661   10.073   30.615   15.984   38.179  -0.5754   51.240   48.466   19.834   49.752   21.747 -1.286575 29.43337 
1 1 1  -15   27   16 o   47.814   18.465   22.335   31.269   24.752   39.245   18.133   51.745   51.914   20.498   54.663   22.797 -2.749416 30.65758 
1 1 1  -15   27   17 o   86.108   17.413  101.492   36.156   78.711   45.255  141.694   60.119   74.625   22.453   98.657   24.511 -24.03245 33.24050 
1 1 1  -15   27   18 o  119.723   13.916  188.424   40.829  207.010   52.103  158.851   65.723  123.949   17.305  104.062   25.493 19.88737 30.81146 
1 1 1  -15   27   19 o  147.257   12.847  282.026   46.770  331.873   60.401  207.387   73.910  158.462   15.461  119.243   25.587 39.21948 29.89564 
1 1 1  -15   27   20 f   61.455   19.295   51.109   32.979   57.253   41.152   40.081   55.134   65.193   21.648   62.055   24.361 3.137852 32.58984 
1 1 1  -15   27   21 o   66.900   19.234   61.949   33.845   84.898   42.148   20.287   56.790   77.496   21.177   57.091   23.853 20.40508 31.89681 
1 1 1  -15   27   22 o   85.474   20.559  102.952   43.345  103.814   44.994   91.838  161.585   85.604   21.167   90.735   39.145 -5.131149 44.50156 
1 1 1  -15   27   23 o  140.491   16.525  263.886   56.868  257.523   59.811  323.810  183.545  138.081   17.757  128.661   45.609 9.419708 48.94434 
1 1 1  -15   27   24 o   60.039   21.604   44.984   41.330   45.295   42.543   39.770  174.345   60.437   21.895   85.544   38.575 -25.10759 44.35572 
1 1 1  -15   27   25 o   79.014   22.124   89.319   45.384   77.079   46.994  258.859  174.895   73.734   23.014  116.679   44.006 -42.94495 49.66058 
1 1 1  -15   27   26 o  147.588   18.397  296.264   66.330  248.317   70.584  658.436  193.994  132.643   22.086  193.772   41.351 -61.12921 46.87944 
1 1 1  -15   27   27 o   88.608   22.175  113.018   48.949  100.089   50.698  290.742  187.971   82.968   23.437  120.230   45.555 -37.26202 51.23019 
1 1 1  -15   27   28 o  130.878   20.983  240.012   66.261  240.012   66.261   0.0000   0.0000  130.878   20.983  ?   ?  0.000000 20.98307 
1 1 1  -15   27   29 o   48.325   18.502   24.129   31.210   9.8632   36.754   61.007   59.094   45.644   19.138   68.781   25.651 -23.13751 32.00392 
1 1 1  -15   27   30 o  129.127   15.300  222.602   48.376  218.483   63.467  228.312   74.733  124.420   21.186  124.640   24.882 -0.2198639 32.67993 
1 1 1  -15   27   31 o  118.476   15.948  189.077   45.984  207.669   59.663  161.873   72.168  121.630   20.363  102.518   27.584 19.11258 34.28646 
1 1 1  -15   27   32 o  128.409   15.229  220.695   47.881  198.508   61.260  255.531   76.759  117.883   21.606  132.145   24.151 -14.26186 32.40541 
1 1 1  -15   27   33 f   48.288   19.101   21.716   34.137   12.380   34.571  386.910  216.215   45.176   18.720  127.187   48.698 -82.01076 52.17210 
1 1 1  -15   27   34 o   41.933   17.700   7.0560   31.780   5.3079   32.138   84.367  213.725   41.552   17.681   89.347   41.204 -47.79451 44.83709 
1 1 1  -15   27   35 o   46.719   18.699   19.240   33.085   7.5853   33.450  545.810  224.835   42.871   18.131  147.609   50.605 -104.7381 53.75464 
1 1 1  -15   27   36 f   37.596   16.381  -0.7676   28.865  -3.3518   29.100  157.153  227.488   36.951   16.264   93.845   42.994 -56.89418 45.96737 
1 1 1  -15   28    1 o   53.486   23.322   20.818   58.611   39.813   64.157 -75.0214  144.111   58.916   25.024   59.724   29.189 -0.8084106 38.44711 
1 1 1  -15   28    2 o   72.681   33.699   65.203  145.821   0.0000   0.0000   65.203  145.821  ?   ?    72.681   33.699 0.000000 33.69851 
1 1 1  -15   28    3 o  104.660   27.117  185.861   71.445  193.676   79.050  151.006  166.943  104.391   29.187   83.822   37.778 20.56911 47.73952 
1 1 1  -15   28    4 o   77.106   26.420   98.253   61.282   99.778   67.764   91.405  143.591   77.132   27.673   77.675   35.019 -0.5427628 44.63364 
1 1 1  -15   28    5 o  104.959   26.185  179.386   68.406  204.390   76.313   77.153  154.312  110.715   27.677   77.683   35.523 33.03215 45.03262 
1 1 1  -15   28    6 o  111.065   25.146  194.571   68.119  212.437   77.350  132.832  143.788  113.766   27.525   85.235   36.849 28.53052 45.99468 
1 1 1  -15   28    7 o   45.625   18.117   19.985   30.818   5.0225   39.494   43.280   49.279   44.560   19.288   59.236   23.095 -14.67577 30.08986 
1 1 1  -15   28    8 o  161.635   12.357  344.631   49.499  402.266   64.586  262.586   77.059  172.442   15.152  131.410   24.380 41.03221 28.70514 
1 1 1  -15   28    9 o   78.938   17.895   88.580   34.461   96.691   43.931   75.605   55.563   80.732   21.433   71.457   25.119 9.275124 33.01987 
1 1 1  -15   28   10 o   53.514   18.717   37.385   30.832   56.991   38.662   3.1332   51.101   63.489   20.978   49.454   21.665 14.03416 30.15668 
1 1 1  -15   28   11 o   99.773   15.201  135.147   36.676  180.782   46.304   58.312   60.083  114.815   16.634   66.871   25.655 47.94417 30.57576 
1 1 1  -15   28   12 o  113.086   14.121  170.902   39.009  171.435   49.201  170.001   64.009  110.848   18.421  106.190   24.618 4.657837 30.74707 
1 1 1  -15   28   13 o   86.798   21.165  109.339   45.462  124.529   64.313   94.169   64.273   89.693   26.717   79.084   27.057 10.60897 38.02436 
1 1 1  -15   28   14 o   64.712   22.069   57.758   42.758   56.568   65.480   58.643   56.456   67.905   26.581   66.958   25.052 0.9474869 36.52592 
1 1 1  -15   28   15 o   65.104   21.750   58.772   41.524   39.908   63.515   72.853   54.875   63.171   25.686   71.703   24.976 -8.531364 35.82718 
1 1 1  -15   28   16 o   52.838   18.904   34.555   31.602   41.083   39.732   23.313   52.139   57.633   21.116   55.558   23.003 2.075630 31.22533 
1 1 1  -15   28   17 o   41.788   17.476   8.1014   30.526  -0.9678   37.971   24.673   51.328   42.989   18.758   55.718   22.922 -12.72869 29.61876 
1 1 1  -15   28   18 o   59.743   19.412   48.469   33.157   62.422   41.091   22.430   56.134   66.818   21.601   56.767   23.716 10.05101 32.07879 
1 1 1  -15   28   19 o   93.008   16.952  118.592   37.921  125.434   47.547  106.634   62.861   93.765   20.846   84.204   26.665 9.561340 33.84620 
1 1 1  -15   28   20 o  101.838   15.530  139.755   38.245  112.195   47.798  188.796   63.761   88.124   21.833  114.122   23.165 -25.99863 31.83199 
1 1 1  -15   28   21 o   42.027   17.432   9.4368   30.019   16.586   36.690  -5.0409   52.210   47.726   19.477   48.810   21.619 -1.083698 29.09875 
1 1 1  -15   28   22 o   61.211   19.352   51.426   33.119   35.886   40.819   81.365   56.658   56.052   21.231   75.184   25.405 -19.13144 33.10840 
1 1 1  -15   28   23 o  144.206   13.194  272.885   46.987  277.662   59.711  265.116   76.144  143.239   17.027  135.584   23.331 7.654480 28.88316 
1 1 1  -15   28   24 o  132.428   13.380  230.807   43.641  196.484   54.518  292.031   72.813  119.092   18.968  144.282   20.811 -25.18985 28.15827 
1 1 1  -15   28   25 o  124.094   14.101  204.122   42.922  210.090   54.134  194.018   70.435  123.735   18.051  114.036   25.387 9.699120 31.15023 
1 1 1  -15   28   26 o   45.004   18.205   15.417   31.725   28.654   38.990 -10.5158   54.572   52.758   20.550   48.591   21.774 4.166924 29.94007 
1 1 1  -15   28   27 o   54.552   20.511   34.416   37.932   34.416   37.932   0.0000   0.0000   54.552   20.511  ?   ?  0.000000 20.51067 
1 1 1  -15   28   28 o   46.952   19.198   15.887   35.731   16.205   36.314   6.2539  200.080   47.316   19.351   82.821   38.756 -35.50495 43.31871 
1 1 1  -15   28   29 o   49.343   19.488   23.055   35.482   23.680   36.051   3.7194  200.544   49.790   19.650   82.371   38.627 -32.58081 43.33783 
1 1 1  -15   28   30 o  162.724   16.308  357.245   65.375  350.720   68.154  432.417  231.322  160.504   17.276  131.020   50.322 29.48433 53.20484 
1 1 1  -15   28   31 o   50.278   19.599   25.911   35.485   27.424   35.992 -26.7138  212.273   51.028   19.781   80.503   38.339 -29.47485 43.14116 
1 1 1  -15   28   32 o   69.797   21.263   70.399   40.403   66.070   41.104  194.166  219.792   67.860   21.570   99.357   44.165 -31.49743 49.15085 
1 1 1  -15   28   33 o   43.510   18.115   10.943   32.591   11.482   32.938 -14.3264  225.382   43.861   18.232   81.386   38.963 -37.52560 43.01755 
1 1 1  -15   28   34 o   66.694   20.960   64.258   38.905   62.724   39.460  117.623  232.688   66.008   21.150   90.458   42.152 -24.45090 47.16110 
1 1 1  -15   28   35 o   64.779   20.866   60.485   38.367   59.694   38.897   88.971  233.309   64.437   21.029   87.081   41.092 -22.64463 46.16075 
1 1 1  -15   29    3 o   78.014   27.560  111.507   66.962  146.261   73.903 -47.8871  158.268   87.544   29.007   62.594   30.591 24.94951 42.15707 
1 1 1  -15   29    4 o   53.108   23.072   20.792   56.924   8.7490   61.546   92.071  149.730   51.874   23.193   74.545   34.416 -22.67044 41.50129 
1 1 1  -15   29    5 o   52.293   22.948   14.583   57.555   24.409   62.681 -38.2301  145.320   55.745   24.215   63.448   30.608 -7.702332 39.02814 
1 1 1  -15   29    6 o  103.336   26.407  178.897   68.397  164.008   75.325  248.843  163.265   95.746   29.003   96.706   40.427 -0.9601898 49.75462 
1 1 1  -15   29    7 o   69.991   25.326   76.913   56.900   55.525   62.149  187.720  141.461   63.942   25.616   91.123   37.822 -27.18116 45.68035 
1 1 1  -15   29    8 o   48.469   21.605   0.0261   52.971 -13.6467   57.142   83.558  141.240   47.380   21.647   77.267   34.793 -29.88784 40.97742 
1 1 1  -15   29    9 o  118.823   24.326  219.678   69.751  231.145   78.343  175.831  153.190  119.227   26.947   90.761   38.611 28.46649 47.08478 
1 1 1  -15   29   10 o   81.615   18.384   96.252   36.568   96.281   46.142   96.201   59.963   79.375   22.337   77.623   26.136 1.751282 34.38047 
1 1 1  -15   29   11 o  104.513   15.044  149.428   38.131  163.613   48.036  125.263   62.696  107.095   18.639   88.057   26.413 19.03827 32.32699 
1 1 1  -15   29   12 o   56.663   19.185   44.134   32.310   38.660   40.309   53.973   54.038   55.840   21.111   63.729   24.359 -7.888916 32.23352 
1 1 1  -15   29   13 f   88.053   17.061  108.752   36.159  116.577   44.973   94.443   60.814   89.154   20.612   77.864   26.320 11.28998 33.43079 
1 1 1  -15   29   14 o   53.312   19.209   36.290   32.684   52.602   41.000   7.8523   54.133   61.684   21.583   51.540   22.445 10.14420 31.13872 
1 1 1  -15   29   15 o   47.369   18.639   22.105   32.345   41.523   40.334 -12.8850   54.143   57.275   21.225   47.286   21.394 9.988647 30.13654 
1 1 1  -15   29   16 f   65.167   22.316   59.965   43.725   76.805   64.864   45.940   59.197   72.833   26.931   62.957   25.075 9.875713 36.79700 
1 1 1  -15   29   17 o   53.010   21.189   27.507   42.422 -34.6387   63.246   78.332   57.196   47.426   22.059   72.981   25.495 -25.55440 33.71304 
1 1 1  -15   29   18 o   91.013   21.537  121.316   48.185  142.020   76.288  107.574   62.153   93.488   29.346   83.329   26.528 10.15934 39.55847 
1 1 1  -15   29   19 o   35.649   16.142 -12.5003   30.892 -29.2596   37.530   22.718   54.404   36.003   16.828   55.653   23.307 -19.65018 28.74709 
1 1 1  -15   29   20 o   39.927   17.213   1.9350   31.199   9.9249   38.289 -13.8518   53.821   45.970   19.418   47.230   21.353 -1.260418 28.86166 
1 1 1  -15   29   21 o   69.837   19.342   69.672   34.888   85.602   43.737   41.802   57.850   76.432   21.830   61.853   24.737 14.57945 32.99240 
1 1 1  -15   29   22 o   57.439   19.522   44.262   33.459   46.949   41.191   39.051   57.366   59.912   21.567   60.997   24.549 -1.084690 32.67691 
1 1 1  -15   29   23 o   80.036   18.326   90.509   35.838   91.493   44.154   88.608   61.352   79.036   21.707   77.004   26.433 2.031891 34.20355 
1 1 1  -15   29   24 o  100.398   15.769  137.223   38.232  126.376   47.121  158.121   65.404   93.615   20.706  101.567   25.751 -7.951820 33.04317 
1 1 1  -15   29   25 o   65.747   23.838   58.581   50.448  113.220   94.464   36.780   59.669   84.915   32.265   60.969   24.855 23.94613 40.72884 
1 1 1  -15   29   26 o   66.142   22.029   61.836   42.603   61.836   42.603   0.0000   0.0000   66.142   22.029  ?   ?  0.000000 22.02912 
1 1 1  -15   29   27 o  105.462   15.400  150.786   39.361  164.407   49.597  127.612   64.692  108.063   19.077   90.401   26.765 17.66180 32.86789 
1 1 1  -15   29   28 o  146.219   13.652  283.555   49.272  297.699   63.246  261.718   78.588  147.140   17.560  132.220   24.710 14.92035 30.31397 
1 1 1  -15   29   29 o   66.492   19.207   63.124   33.680   46.722   40.987   97.226   59.100   59.591   21.505   79.678   25.918 -20.08719 33.67804 
1 1 1  -15   29   30 o   46.929   18.254   22.465   30.731   10.694   36.324   52.108   57.644   45.148   18.983   64.406   25.015 -19.25750 31.40211 
1 1 1  -15   29   31 o   83.912   17.962   99.715   36.501   71.972   44.178  159.399   64.797   69.997   22.374  101.217   25.614 -31.22008 34.00998 
1 1 1  -15   29   32 o  114.804   14.893  178.668   41.691  132.932   51.365  266.970   71.371   94.381   22.171  135.097   21.906 -40.71565 31.16735 
1 1 1  -15   29   33 o   76.860   18.525   85.090   35.137   74.415   41.850  110.591   64.684   70.788   21.656   82.942   27.121 -12.15393 34.70653 
1 1 1  -15   29   34 o   65.591   19.574   62.649   34.498   94.761   41.339 -11.0121   62.611   79.894   20.591   50.389   22.881 29.50480 30.78182 
1 1 1  -15   30    6 o   40.593   19.360 -42.8198   54.538 -50.5110   58.033   15.333  159.576   40.954   19.650   67.004   32.261 -26.05065 37.77366 
1 1 1  -15   30    7 o   42.909   20.040 -25.0042   53.065 -36.1169   56.559   56.698  153.360   42.573   20.133   71.020   33.453 -28.44711 39.04433 
1 1 1  -15   30    8 o   71.297   25.944   84.475   59.830   71.145   65.138  156.405  151.316   67.357   26.468   82.881   36.753 -15.52389 45.29127 
1 1 1  -15   30    9 o   39.107   18.528 -38.3627   48.324 -28.0001   51.405 -117.1301  141.723   42.127   19.691   57.710   28.356 -15.58305 34.52301 
1 1 1  -15   30   10 o   75.043   26.087   92.977   59.849  104.450   65.303   32.772  149.594   78.381   27.249   71.145   33.362 7.235153 43.07640 
1 1 1  -15   30   11 f   61.440   24.171   50.402   54.383   48.076   58.237   66.253  152.020   61.398   24.726   75.390   34.761 -13.99194 42.65821 
1 1 1  -15   30   12 o  114.627   14.622  179.918   40.902  206.470   52.249  137.893   65.734  120.387   17.927   90.695   27.009 29.69250 32.41710 
1 1 1  -15   30   13 o  151.136   12.970  305.251   48.476  339.393   61.469  249.089   78.838  156.901   15.908  124.742   26.145 32.15873 30.60442 
1 1 1  -15   30   14 o   55.614   19.412   42.296   33.155   37.178   41.465   51.367   55.206   55.195   21.278   62.543   24.427 -7.347984 32.39488 
1 1 1  -15   30   15 o   45.057   18.358   16.739   32.530   30.511   40.592  -7.9822   54.384   52.749   20.841   47.782   21.546 4.966606 29.97614 
1 1 1  -15   30   16 o   44.471   18.138   15.815   31.792   8.1419   39.372   30.195   53.895   45.376   19.445   56.533   23.395 -11.15700 30.42150 
1 1 1  -15   30   17 o   47.295   18.756   21.958   32.992   12.655   40.974   39.109   55.632   47.411   20.060   59.529   24.099 -12.11812 31.35509 
1 1 1  -15   30   18 o   49.800   19.022   28.252   32.938   24.311   40.888   35.538   55.592   51.014   20.657   58.644   23.959 -7.630535 31.63437 
1 1 1  -15   30   19 f   80.413   19.684   94.226   39.207   95.096   48.727   92.627   66.028   79.046   23.180   77.059   27.352 1.987305 35.85301 
1 1 1  -15   30   20 o   53.577   21.806   26.970   45.832   21.801   71.120   30.642   59.939   59.652   25.852   58.658   24.506 0.9935532 35.62114 
1 1 1  -15   30   21 o  105.031   21.683  162.564   54.985  200.409   84.372  134.623   72.495  109.371   29.993   90.484   28.633 18.88651 41.46616 
1 1 1  -15   30   22 o   98.347   17.461  135.445   41.312  139.843   51.819  127.775   68.438   97.112   21.891   88.846   27.779 8.265366 35.36838 
1 1 1  -15   30   23 o   51.586   19.280   31.877   33.419   19.949   41.104   55.139   57.400   49.878   20.515   64.963   25.037 -15.08502 32.36818 
1 1 1  -15   30   24 o   70.102   23.944   72.398   50.335 -31.6030   86.038  126.517   62.065   55.370   25.745   89.480   26.139 -34.11016 36.68853 
1 1 1  -15   30   25 o   44.647   18.304   14.709   32.591   48.861   39.050 -63.6924   59.166   59.841   21.056   41.400   19.858 18.44120 28.94287 
1 1 1  -15   30   26 o  167.818   13.468  374.322   55.966  405.665   71.349  324.192   90.233  171.898   16.837  145.187   25.835 26.71140 30.83717 
1 1 1  -15   30   27 o   63.322   19.637   57.467   34.278   39.136   41.180   98.823   61.853   56.350   21.329   79.331   26.546 -22.98116 34.05281 
1 1 1  -15   30   28 o  105.020   16.649  153.036   42.207  179.905   52.532  104.098   70.894  112.093   19.474   80.529   28.367 31.56449 34.40826 
1 1 1  -15   30   29 o   92.465   17.376  120.452   38.649  135.352   47.743   92.124   65.833   96.125   20.514   76.691   27.301 19.43376 34.14976 
1 1 1  -15   30   30 o   44.731   17.986   17.646   30.764   19.964   36.274   11.709   58.060   47.792   19.419   53.351   23.239 -5.559937 30.28501 
1 1 1  -15   30   31 o   49.781   18.739   29.560   31.681   37.490   37.516   9.8494   59.147   54.534   20.419   53.164   23.298 1.369587 30.97949 
1 1 1  -15   30   32 o   54.310   19.162   39.705   32.360   23.356   37.885   83.811   62.228   49.343   19.918   73.266   26.489 -23.92342 33.14217 
1 1 1  -15   30   33 o   56.873   19.513   45.259   33.432   47.947   39.307   38.230   63.566   58.741   21.076   60.361   25.229 -1.619743 32.87394 
1 1 1  -15   31    7 o   87.513   39.200  282.512  176.710   0.0000   0.0000  282.512  176.710  ?   ?    87.513   39.200 0.000000 39.20037 
1 1 1  -15   31    8 f   42.188   19.838 -26.7665   53.518 -29.7681   56.781  -2.8749  160.193   42.948   20.268   64.264   31.268 -21.31534 37.26218 
1 1 1  -15   31    9 o   75.598   26.737  103.522   63.039   84.177   68.022  221.238  167.799   69.405   27.113   85.618   38.286 -16.21336 46.91410 
1 1 1  -15   31   10 o   96.541   27.235  166.643   68.511  165.071   74.662  175.023  172.362   93.668   28.971   81.765   37.446 11.90284 47.34491 
1 1 1  -15   31   11 o   53.639   22.890   26.207   54.145   40.668   57.664 -81.5289  157.397   58.013   24.119   61.243   30.050 -3.229992 38.53259 
1 1 1  -15   31   12 f   63.797   24.931   60.509   57.529   60.559   61.438   60.154  163.900   64.165   25.548   72.984   34.440 -8.818336 42.88181 
1 1 1  -15   31   13 o   71.631   26.052   84.425   60.320   76.064   63.781  155.240  185.614   69.064   26.448   83.001   38.319 -13.93623 46.56045 
1 1 1  -15   31   14 o   45.488   19.463   11.085   39.332  -5.7288   54.972   28.721   56.300   47.605   21.546   55.529   23.506 -7.923496 31.88639 
1 1 1  -15   31   15 o   42.450   17.994   9.6178   33.066 -35.2899   40.992   93.265   55.945   36.127   17.101   75.587   25.246 -39.45990 30.49307 
1 1 1  -15   31   16 o   40.329   17.481   3.3478   32.533   17.642   40.700 -21.9447   54.139   48.135   20.159   44.597   20.627 3.537857 28.84154 
1 1 1  -15   31   17 o   35.951   16.299 -10.9137   31.606 -18.3128   38.980   3.2873   54.002   38.376   17.661   49.472   21.946 -11.09636 28.16963 
1 1 1  -15   31   18 o   53.312   19.583   37.119   34.204   26.710   42.459   56.361   57.729   51.696   21.008   64.003   24.984 -12.30770 32.64301 
1 1 1  -15   31   19 f   49.881   19.161   29.031   33.542   44.614   42.087   1.9021   55.533   57.850   21.633   49.903   22.190 7.946774 30.99039 
1 1 1  -15   31   20 o   39.871   17.367   1.3916   32.424   10.801   39.891 -16.9255   55.659   46.107   19.661   46.393   21.259 -0.2861481 28.95682 
1 1 1  -15   31   21 o   53.623   19.779   37.114   34.944   13.825   43.515   79.399   58.636   48.426   20.589   71.648   25.738 -23.22190 32.96030 
1 1 1  -15   31   22 o   41.796   17.868   6.4563   33.098   4.3398   40.552   10.679   57.283   44.673   19.441   52.528   22.976 -7.854568 30.09737 
1 1 1  -15   31   23 f   62.773   23.603   54.471   50.232   40.908   80.568   63.096   64.248   64.580   27.750   67.167   26.319 -2.586189 38.24584 
1 1 1  -15   31   24 o   60.062   25.228   35.531   64.050   0.0000   0.0000   35.531   64.050  ?   ?    60.062   25.228 0.000000 25.22815 
1 1 1  -15   31   25 o   44.655   20.216 -10.7378   48.430   18.710   85.031 -24.8769   58.920   61.465   27.386   46.398   21.480 15.06665 34.80534 
1 1 1  -15   31   26 o  106.765   23.117  174.750   59.846  207.211  102.767  158.092   73.617  103.787   34.197   96.365   28.556 7.421371 44.55233 
1 1 1  -15   31   27 o   54.618   19.782   39.650   34.725   39.688   41.609   39.562   63.030   56.026   21.384   60.660   25.218 -4.633663 33.06390 
1 1 1  -15   31   28 o   83.711   18.651  102.079   37.991   86.121   46.173  135.523   66.843   74.645   22.729   89.889   27.342 -15.24371 35.55587 
1 1 1  -15   31   29 o   98.445   17.707  138.506   41.931  158.707   51.493   98.748   72.240  103.265   20.689   77.129   28.440 26.13626 35.16959 
1 1 1  -15   31   30 f   90.647   18.685  119.798   40.889  125.417   49.516  107.751   72.499   90.249   22.139   79.494   28.613 10.75570 36.17760 
1 1 1  -15   31   31 o   68.938   19.742   71.176   35.722   82.041   42.746   46.020   65.045   72.914   21.795   61.981   25.680 10.93372 33.68225 
1 1 1  -15   32   10 o   65.727   25.867   77.058   62.307   62.023   66.497  185.208  178.348   61.925   25.836   76.521   36.054 -14.59567 44.35514 
1 1 1  -15   32   11 o   55.687   23.709   37.610   57.841   50.236   61.605 -56.3532  168.057   59.238   24.805   60.925   30.115 -1.686768 39.01523 
1 1 1  -15   32   12 o   55.243   23.684   33.611   58.448   16.863   62.098  163.609  173.009   52.479   23.392   77.671   36.245 -25.19196 43.13783 
1 1 1  -15   32   13 f   60.972   24.856   54.502   59.673   59.574   62.947   9.5166  187.474   62.592   25.524   67.760   33.153 -5.167202 41.84039 
1 1 1  -15   32   14 o   57.634   24.062   41.312   57.736   41.305   60.439   41.392  195.263   58.086   24.458   70.889   34.498 -12.80302 42.28845 
1 1 1  -15   32   15 o   74.863   26.494   98.560   61.910   78.187   65.071  293.133  201.097   68.478   26.583   91.717   41.388 -23.23876 49.18909 
1 1 1  -15   32   16 o   74.854   26.374   97.240   61.284   96.579   64.203  104.006  205.559   74.347   26.903   76.804   36.886 -2.457764 45.65407 
1 1 1  -15   32   17 o   61.290   21.795   56.660   41.945   67.309   58.542   45.427   60.128   65.720   25.297   59.824   24.731 5.895550 35.37700 
1 1 1  -15   32   18 o   46.171   18.725   20.842   33.653   29.202   42.038   5.9224   56.158   51.575   20.924   49.961   22.259 1.614746 30.54942 
1 1 1  -15   32   19 f   45.556   18.616   18.979   33.572  -1.2580   40.787   61.490   59.116   42.700   19.001   64.431   25.246 -21.73168 31.59756 
1 1 1  -15   32   20 o   44.708   18.610   15.391   34.391   21.175   42.573   4.5290   58.345   49.449   20.655   50.582   22.601 -1.132648 30.61759 
1 1 1  -15   32   21 o   41.258   17.796   5.7369   33.382   13.138   40.738  -9.3891   58.239   46.547   19.859   47.998   21.900 -1.450748 29.56351 
1 1 1  -15   32   22 o   40.244   17.542   2.6301   33.135   6.2009   40.269  -4.8568   58.310   44.494   19.368   48.890   22.153 -4.396492 29.42602 
1 1 1  -15   32   23 o   66.370   21.648   67.567   41.220   20.114   53.767  135.221   64.199   52.732   22.664   88.913   26.740 -36.18057 35.05314 
1 1 1  -15   32   24 o   40.817   17.876   1.7186   34.771   7.4751   40.094 -15.7459   69.836   44.792   19.411   50.832   23.481 -6.039776 30.46558 
1 1 1  -15   32   25 o   74.251   19.859   83.458   37.538   67.756   45.501  116.922   66.425   66.286   22.763   82.053   27.509 -15.76694 35.70537 
1 1 1  -15   32   26 o   59.853   20.351   52.660   36.361   22.865   43.478  121.988   66.321   50.334   20.937   83.707   27.467 -33.37322 34.53620 
1 1 1  -15   32   27 o   57.911   23.610   40.428   53.847  103.552   95.341   10.861   65.250   76.453   31.321   53.901   24.005 22.55194 39.46235 
1 1 1  -15   32   28 o   99.784   25.646  165.940   64.251  175.774  110.683  160.941   78.908   90.408   34.788   93.152   29.915 -2.744087 45.88164 
1 1 1  -15   33   12 o   62.565   31.094   8.3824  188.530   0.0000   0.0000   8.3824  188.530  ?   ?    62.565   31.094 0.000000 31.09401 
1 1 1  -15   33   13 f   54.873   23.710   37.504   59.463   37.987   62.234   32.436  201.523   55.379   24.092   65.190   32.356 -9.811714 40.34007 
1 1 1  -15   33   14 o   59.747   24.832   55.593   61.089   69.477   63.759 -99.8538  213.337   63.374   25.748   61.238   30.815 2.135792 40.15598 
1 1 1  -15   33   15 o   41.112   19.492 -31.7089   53.667 -16.0650   55.501 -256.7176  210.488   44.175   20.586   56.511   28.682 -12.33525 35.30490 
1 1 1  -15   33   16 f   54.533   23.535   32.269   58.444   28.838   60.657   76.718  218.327   54.206   23.678   70.482   34.742 -16.27578 42.04332 
1 1 1  -15   33   17 f   68.158   26.109   82.230   62.172   75.100   64.963  159.889  214.391   66.093   26.285   75.858   36.736 -9.765266 45.17111 
1 1 1  -15   33   18 o   54.430   23.072   33.271   54.364   31.745   56.236   55.042  212.442   54.438   23.282   70.641   34.712 -16.20264 41.79688 
1 1 1  -15   33   19 o   60.599   24.397   54.578   56.682   56.947   58.750   22.687  215.557   61.439   24.802   69.655   34.369 -8.216293 42.38387 
1 1 1  -15   33   20 f   47.920   20.107   20.995   40.616   51.969   55.428 -14.9253   59.689   59.905   24.123   46.493   21.558 13.41177 32.35208 
1 1 1  -15   33   21 o   49.941   19.603   30.991   35.694   33.899   43.420   24.929   62.685   52.699   21.305   54.737   23.986 -2.037716 32.08219 
1 1 1  -15   33   22 o   35.592   16.743 -26.9173   38.188 -47.7627   48.604   6.7098   61.732   37.345   17.935   51.017   22.985 -13.67186 29.15437 
1 1 1  -15   33   23 o   52.648   21.292   33.420   43.384   33.420   43.384   0.0000   0.0000   52.648   21.292  ?   ?  0.000000 21.29243 
1 1 1  -15   33   24 f   40.556   17.778   3.1767   34.461   12.566   41.708 -17.0262   61.178   46.082   19.884   46.857   21.761 -0.7753372 29.47752 
1 1 1  -15   33   25 o   42.173   18.124   8.9260   34.375   13.790   41.020  -2.5463   62.996   46.167   19.818   49.801   22.744 -3.633854 30.16681 
1 1 1  -14  -37    1 o   47.103   18.349   36.620   31.088   0.0000   0.0000   36.620   31.088  ?   ?    47.103   18.349 0.000000 18.34917 
1 1 1  -14  -37    2 o   63.392   21.070   81.610   38.983   0.0000   0.0000   81.610   38.983  ?   ?    63.392   21.070 0.000000 21.07036 
1 1 1  -14  -36    1 o  113.442   19.871  214.714   54.240  146.897  146.523  225.482   58.388   65.227   31.277  114.285   21.241 -49.05824 37.80746 
1 1 1  -14  -36    2 o   49.404   18.794   39.683   32.071   0.0000   0.0000   39.683   32.071  ?   ?    49.404   18.794 0.000000 18.79351 
1 1 1  -14  -36    3 o   36.260   15.823   8.5214   27.022   0.0000   0.0000   8.5214   27.022  ?   ?    36.260   15.823 0.000000 15.82257 
1 1 1  -14  -36    4 o   39.356   16.887   16.804   29.761   0.0000   0.0000   16.804   29.761  ?   ?    39.356   16.887 0.000000 16.88706 
1 1 1  -14  -35    1 o   31.619   14.352  -6.7291   24.605 -70.3855  126.941  -4.2442   25.080   52.774   26.102   32.624   14.679 20.15092 29.94659 
1 1 1  -14  -35    2 f   71.293   20.694   87.264   39.013 -59.9990  133.720  100.965   40.788   53.150   26.376   76.884   20.759 -23.73406 33.56501 
1 1 1  -14  -35    3 f   36.076   15.714   5.9244   26.549   0.0000   0.0000   5.9244   26.549  ?   ?    36.076   15.714 0.000000 15.71447 
1 1 1  -14  -35    4 o   63.800   20.793   74.151   38.034   0.0000   0.0000   74.151   38.034  ?   ?    63.800   20.793 0.000000 20.79346 
1 1 1  -14  -35    5 o   50.644   19.263   43.811   33.689   0.0000   0.0000   43.811   33.689  ?   ?    50.644   19.263 0.000000 19.26250 
1 1 1  -14  -34    1 o   57.571   27.801 -25.0650  120.636 -25.0650  120.636   0.0000   0.0000   57.571   27.801  ?   ?  0.000000 27.80147 
1 1 1  -14  -34    2 o   39.681   16.748   11.275   28.449 -77.2942  126.373   16.003   29.198   53.680   26.454   41.672   17.231 12.00837 31.57085 
1 1 1  -14  -34    3 o   63.692   20.216   66.963   36.115   93.538  131.998   64.812   37.548   66.889   31.358   62.432   20.675 4.457237 37.56019 
1 1 1  -14  -34    4 o   85.111   21.309  123.298   45.187   0.0000   0.0000  123.298   45.187  ?   ?    85.111   21.309 0.000000 21.30898 
1 1 1  -14  -34    5 o   75.772   21.632  102.127   42.955   0.0000   0.0000  102.127   42.955  ?   ?    75.772   21.632 0.000000 21.63173 
1 1 1  -14  -34    6 o   45.513   18.391   28.484   32.339   0.0000   0.0000   28.484   32.339  ?   ?    45.513   18.391 0.000000 18.39138 
1 1 1  -14  -34    7 o   42.257   17.647   21.773   31.065   0.0000   0.0000   21.773   31.065  ?   ?    42.257   17.647 0.000000 17.64712 
1 1 1  -14  -33    1 o  142.398   18.218  295.884   63.298  145.335  135.133  338.201   71.644   80.986   35.360  150.834   19.476 -69.84785 40.36899 
1 1 1  -14  -33    2 o   52.725   25.795 -87.1583  113.418 -87.1583  113.418   0.0000   0.0000   52.725   25.795  ?   ?  0.000000 25.79495 
1 1 1  -14  -33    3 o  139.340   19.132  294.045   64.814   98.415  140.667  346.771   73.028   71.467   33.122  150.298   19.950 -78.83109 38.66655 
1 1 1  -14  -33    4 o   51.888   18.890   39.252   31.724   44.392  120.720   38.870   32.880   63.488   29.835   51.842   19.173 11.64611 35.46465 
1 1 1  -14  -33    5 o   33.092   14.887  -4.6442   25.788   8.3435  120.512  -5.2674   26.400   58.766   28.228   33.280   15.009 25.48616 31.96990 
1 1 1  -14  -33    6 o   39.770   16.857   12.175   29.014   0.0000   0.0000   12.175   29.014  ?   ?    39.770   16.857 0.000000 16.85651 
1 1 1  -14  -33    7 o   53.182   19.507   45.499   33.920   0.0000   0.0000   45.499   33.920  ?   ?    53.182   19.507 0.000000 19.50678 
1 1 1  -14  -33    8 o   70.310   21.450   90.103   41.093   0.0000   0.0000   90.103   41.093  ?   ?    70.310   21.450 0.000000 21.44959 
1 1 1  -14  -32    1 o   52.992   18.963   37.364   31.799 -36.2702  111.167   43.926   33.186   59.718   28.236   56.204   19.432 3.513832 34.27667 
1 1 1  -14  -32    2 o   97.652   19.032  140.133   44.742  104.423  119.419  145.964   48.256   77.774   33.603   98.753   20.248 -20.97839 39.23177 
1 1 1  -14  -32    3 o   59.588   28.138 -16.4180  109.731 -16.4180  109.731   0.0000   0.0000   59.588   28.138  ?   ?  0.000000 28.13770 
1 1 1  -14  -32    4 o   39.615   16.732   9.2295   28.428   11.753  116.891   9.0708   29.308   62.573   29.390   39.981   16.944 22.59182 33.92407 
1 1 1  -14  -32    5 o   82.670   20.557  108.188   42.260 -16.9083  121.395  125.438   45.080   59.260   28.430   89.166   20.652 -29.90591 35.13871 
1 1 1  -14  -32    6 o   92.399   20.030  134.433   44.883   68.960  127.716  143.658   47.941   66.925   31.200   94.806   20.820 -27.88071 37.50902 
1 1 1  -14  -32    7 o   30.918   14.233 -11.7668   25.348   0.0000   0.0000 -11.7668   25.348  ?   ?    30.918   14.233 0.000000 14.23349 
1 1 1  -14  -32    8 o   74.024   21.667   94.567   42.606   0.0000   0.0000   94.567   42.606  ?   ?    74.024   21.667 0.000000 21.66654 
1 1 1  -14  -32    9 o   63.358   20.937   69.946   38.511   0.0000   0.0000   69.946   38.511  ?   ?    63.358   20.937 0.000000 20.93685 
1 1 1  -14  -31    1 o   94.466   20.687  129.484   47.449   0.0000   0.0000  129.484   47.449  ?   ?    94.466   20.687 0.000000 20.68709 
1 1 1  -14  -31    2 f  172.802   18.383  417.880   78.107  166.470  140.647  529.992   93.921   92.798   38.033  193.210   19.744 -100.4119 42.85204 
1 1 1  -14  -31    3 o   66.772   20.349   65.885   36.998   18.561  109.898   71.934   39.291   66.378   30.208   69.410   20.930 -3.032349 36.74991 
1 1 1  -14  -31    4 f   58.366   20.574   48.324   37.297 -19.7304  108.451   57.453   39.720   60.373   28.341   62.417   21.270 -2.043694 35.43515 
1 1 1  -14  -31    5 o  120.231   19.261  213.070   55.876   48.977  121.833  256.778   62.879   69.152   31.600  131.666   19.732 -62.51405 37.25453 
1 1 1  -14  -31    6 o   47.788   18.453   27.716   31.227  170.573  112.968   15.897   32.493   86.609   34.593   43.776   18.145 42.83319 39.06287 
1 1 1  -14  -31    7 o   48.586   18.776   29.850   32.353 -142.2480  117.477   43.973   33.654   49.568   24.619   54.771   19.518 -5.203278 31.41747 
1 1 1  -14  -31    8 o   29.388   13.749 -18.1849   25.162   0.0000   0.0000 -18.1849   25.162  ?   ?    29.388   13.749 0.000000 13.74945 
1 1 1  -14  -31    9 o   28.677   13.481 -19.2456   24.687   0.0000   0.0000 -19.2456   24.687  ?   ?    28.677   13.481 0.000000 13.48122 
1 1 1  -14  -31   10 o   61.261   20.785   62.883   37.925   0.0000   0.0000   62.883   37.925  ?   ?    61.261   20.785 0.000000 20.78478 
1 1 1  -14  -31   11 o   93.549   22.254  153.290   51.230   0.0000   0.0000  153.290   51.230  ?   ?    93.549   22.254 0.000000 22.25366 
1 1 1  -14  -30    1 o   33.080   15.010 -12.9064   26.883   7.3653   99.490 -14.5030   27.921   66.670   29.671   33.390   15.207 33.27954 33.34085 
1 1 1  -14  -30    2 o  105.351   20.391  157.392   51.705   0.0000   0.0000  157.392   51.705  ?   ?   105.351   20.391 0.000000 20.39051 
1 1 1  -14  -30    3 o  117.930   18.977  194.988   53.989   5.5551  119.056  244.029   60.576   69.066   31.435  132.218   18.883 -63.15223 36.67059 
1 1 1  -14  -30    4 o   87.507   19.761  110.899   42.161   61.479  106.587  120.065   45.905   73.935   31.845   90.543   20.747 -16.60703 38.00761 
1 1 1  -14  -30    5 o   88.426   20.454  115.631   44.266 -63.7265  110.506  149.912   48.312   57.513   27.465  101.531   19.766 -44.01779 33.83819 
1 1 1  -14  -30    6 o   99.859   36.612  212.521  119.473  212.521  119.473   0.0000   0.0000   99.859   36.612  ?   ?  0.000000 36.61199 
1 1 1  -14  -30    7 o   70.227   20.535   75.566   38.288   89.907  115.651   73.801   40.576   74.581   32.634   69.073   21.356 5.507935 39.00063 
1 1 1  -14  -30    8 o   80.407   20.651  100.684   41.683  -2.6002  115.131  116.264   44.717   61.301   28.908   86.342   20.952 -25.04086 35.70280 
1 1 1  -14  -30    9 o   70.121   21.248   78.990   40.423   0.0000   0.0000   78.990   40.423  ?   ?    70.121   21.248 0.000000 21.24806 
1 1 1  -14  -30   10 o  102.988   21.498  170.352   53.504   0.0000   0.0000  170.352   53.504  ?   ?   102.988   21.498 0.000000 21.49839 
1 1 1  -14  -30   11 o   41.512   17.524   13.482   31.153   0.0000   0.0000   13.482   31.153  ?   ?    41.512   17.524 0.000000 17.52373 
1 1 1  -14  -30   12 o   87.409   21.989  130.764   47.953   0.0000   0.0000  130.764   47.953  ?   ?    87.409   21.989 0.000000 21.98857 
1 1 1  -14  -29    1 f   50.517   19.318   25.756   33.997 -75.0351   99.100   39.200   36.194   56.979   26.855   56.799   20.241 0.1793442 33.62855 
1 1 1  -14  -29    2 o   80.194   20.467   90.406   41.124   38.465  106.384   99.531   44.590   74.415   31.929   83.888   21.259 -9.472725 38.35909 
1 1 1  -14  -29    3 o  189.174   20.359  493.047   94.662   0.0000   0.0000  493.047   94.662  ?   ?   189.174   20.359 0.000000 20.35895 
1 1 1  -14  -29    4 o  114.303   18.742  180.947   51.641   54.473  112.498  214.713   58.127   76.401   32.809  124.317   19.354 -47.91573 38.09198 
1 1 1  -14  -29    5 o   92.991   19.342  122.680   43.451  140.122  110.418  119.484   47.264   91.447   34.851   90.698   21.241 0.7485046 40.81428 
1 1 1  -14  -29    6 o   63.524   19.979   57.540   35.342   95.247  106.638   52.888   37.459   80.335   33.043   61.495   20.657 18.83993 38.96885 
1 1 1  -14  -29    7 o   84.676   34.083  125.551  110.595  125.551  110.595   0.0000   0.0000   84.676   34.083  ?   ?  0.000000 34.08320 
1 1 1  -14  -29    8 o   42.873   17.687   13.632   30.664 -41.1816  106.492   18.587   32.020   57.963   27.474   45.256   18.296 12.70698 33.00896 
1 1 1  -14  -29    9 o   42.630   17.577   14.268   30.264 -19.1544  111.241   16.940   31.450   60.148   28.380   44.101   18.019 16.04646 33.61744 
1 1 1  -14  -29   10 o   79.719   21.321  100.256   43.270 -75.3840  119.831  126.590   46.400   55.599   27.050   90.201   20.993 -34.60190 34.24054 
1 1 1  -14  -29   11 o   83.594   21.973  113.327   46.474   0.0000   0.0000  113.327   46.474  ?   ?    83.594   21.973 0.000000 21.97342 
1 1 1  -14  -29   12 o   39.528   16.995   7.6551   30.251   0.0000   0.0000   7.6551   30.251  ?   ?    39.528   16.995 0.000000 16.99515 
1 1 1  -14  -29   13 o   86.566   21.970  125.753   47.574   0.0000   0.0000  125.753   47.574  ?   ?    86.566   21.970 0.000000 21.97036 
1 1 1  -14  -28    1 o   58.637   20.261   42.543   36.075 -26.0158   93.648   54.490   39.092   62.370   28.185   64.526   21.083 -2.155933 35.19801 
1 1 1  -14  -28    2 o   56.288   20.123   37.636   35.801  124.270   95.788   23.569   38.599   93.276   32.961   51.769   20.364 41.50729 38.74468 
1 1 1  -14  -28    3 o   48.133   19.021   19.625   33.817   8.5481   99.034   21.087   35.979   68.545   30.090   49.621   19.616 18.92482 35.91961 
1 1 1  -14  -28    4 o  133.917   20.018  245.774   64.889   0.0000   0.0000  245.774   64.889  ?   ?   133.917   20.018 0.000000 20.01794 
1 1 1  -14  -28    5 o   64.677   20.500   57.375   37.149   40.503   99.178   60.128   40.066   72.675   30.996   66.159   21.324 6.515915 37.62263 
1 1 1  -14  -28    6 o   59.138   19.967   46.573   34.998  -0.9846  102.159   52.896   37.253   65.799   29.613   62.312   20.592 3.486885 36.06910 
1 1 1  -14  -28    7 o   77.548   20.669   86.970   40.751   0.4992  109.294  100.933   43.919   66.749   30.279   83.374   21.082 -16.62495 36.89534 
1 1 1  -14  -28    8 o   62.507   28.726 -12.2539  102.640 -12.2539  102.640   0.0000   0.0000   62.507   28.726  ?   ?  0.000000 28.72587 
1 1 1  -14  -28    9 o  104.868   19.969  159.902   50.384   12.427  117.160  193.363   55.807   67.351   30.856  115.460   20.085 -48.10880 36.81676 
1 1 1  -14  -28   10 o   76.970   21.040   90.076   41.597 -33.6106  113.355  109.324   44.717   60.155   28.465   84.837   21.174 -24.68155 35.47665 
1 1 1  -14  -28   11 o   90.708   20.139  124.300   44.429  109.406  121.930  126.580   47.709   77.694   33.761   90.501   21.440 -12.80686 39.99289 
1 1 1  -14  -28   12 o  102.672   21.328  163.915   52.897   0.0000   0.0000  163.915   52.897  ?   ?   102.672   21.328 0.000000 21.32825 
1 1 1  -14  -28   13 o   76.685   21.846   95.716   43.857   0.0000   0.0000   95.716   43.857  ?   ?    76.685   21.846 0.000000 21.84580 
1 1 1  -14  -27    1 o   95.705   32.905  126.688   95.096  126.688   95.096   0.0000   0.0000   95.705   32.905  ?   ?  0.000000 32.90527 
1 1 1  -14  -27    2 o   46.843   18.785   15.599   33.457   76.670   90.605   5.9565   36.002   81.798   31.475   44.900   18.890 36.89776 36.70835 
1 1 1  -14  -27    3 o   54.564   19.888   33.566   35.181  109.646   95.389   21.588   37.850   90.293   32.773   50.941   20.125 39.35175 38.45940 
1 1 1  -14  -27    4 o   58.162   20.387   41.374   36.589   38.103   93.664   41.963   39.747   73.141   30.602   59.235   21.200 13.90601 37.22794 
1 1 1  -14  -27    5 o  170.404   17.663  385.893   74.071  194.568  133.485  471.014   89.036  110.230   38.915  187.354   19.307 -77.12456 43.44110 
1 1 1  -14  -27    6 o   92.649   20.008  119.306   44.936   77.951  110.405  127.518   49.195   82.813   33.790   95.330   21.212 -12.51688 39.89679 
1 1 1  -14  -27    7 o  129.581   18.547  228.943   58.305   33.030  117.557  292.858   67.146   75.302   32.927  146.657   18.765 -71.35475 37.89835 
1 1 1  -14  -27    8 o   96.809   20.155  132.441   47.140 -46.3328  107.450  175.052   52.458   61.343   28.605  112.080   19.448 -50.73666 34.59005 
1 1 1  -14  -27    9 o   88.154   34.199  124.803  107.647  124.803  107.647   0.0000   0.0000   88.154   34.199  ?   ?  0.000000 34.19886 
1 1 1  -14  -27   10 o  122.068   18.491  209.204   54.602  137.182  119.556  228.186   61.376   88.854   35.553  126.338   20.130 -37.48322 40.85583 
1 1 1  -14  -27   11 o   75.422   20.842   84.994   40.561  113.416  118.797   81.244   43.154   82.217   34.437   73.344   21.894 8.873291 40.80724 
1 1 1  -14  -27   12 o   75.758   21.961   88.692   43.961   0.0000   0.0000   88.692   43.961  ?   ?    75.758   21.961 0.000000 21.96099 
1 1 1  -14  -27   14 f   92.458   22.118  136.245   50.381   0.0000   0.0000  136.245   50.381  ?   ?    92.458   22.118 0.000000 22.11793 
1 1 1  -14  -27   15 o  108.826   21.640  188.005   56.739   0.0000   0.0000  188.005   56.739  ?   ?   108.826   21.640 0.000000 21.64040 
1 1 1  -14  -27   16 o   73.403   22.865   92.326   46.414   0.0000   0.0000   92.326   46.414  ?   ?    73.403   22.865 0.000000 22.86495 
1 1 1  -14  -26    1 o   58.431   20.494   40.444   36.978   49.831   87.500   38.403   40.800   75.735   30.375   58.751   21.417 16.98407 37.16677 
1 1 1  -14  -26    2 o   73.110   29.985   38.805   87.503   38.805   87.503   0.0000   0.0000   73.110   29.985  ?   ?  0.000000 29.98536 
1 1 1  -14  -26    3 o  114.010   18.593  173.019   51.111   79.033  101.004  205.370   59.258   84.826   33.066  123.949   19.812 -39.12264 38.54696 
1 1 1  -14  -26    4 o   60.332   20.721   45.000   37.705   49.302   88.647   44.050   41.662   75.166   30.423   60.944   21.716 14.22215 37.37868 
1 1 1  -14  -26    5 o   98.211   20.268  131.555   48.058   5.6687   99.102  170.261   54.952   69.300   30.269  112.009   20.398 -42.70906 36.50038 
1 1 1  -14  -26    6 o  120.625   18.232  194.714   53.206   94.125  108.646  226.448   61.024   87.792   34.274  129.694   19.441 -41.90162 39.40371 
1 1 1  -14  -26    7 o  179.628   20.119  435.571   88.695   0.0000   0.0000  435.571   88.695  ?   ?   179.628   20.119 0.000000 20.11852 
1 1 1  -14  -26    8 o  115.952   18.027  181.928   50.501  248.761  113.410  165.398   56.402  124.320   35.030  108.737   21.533 15.58254 41.11939 
1 1 1  -14  -26    9 o   72.982   20.791   75.105   39.722   57.429  106.519   77.960   42.811   77.199   32.486   74.169   21.721 3.030609 39.07870 
1 1 1  -14  -26   10 o  135.637   18.402  252.499   60.719  138.769  123.532  288.729   69.723   93.055   36.486  144.114   19.905 -51.05904 41.56262 
1 1 1  -14  -26   11 o   83.654   21.813  102.734   46.037 -87.5649  117.409  137.308   50.045   58.759   28.128   97.357   21.187 -38.59788 35.21436 
1 1 1  -14  -26   12 o   47.124   18.999   19.544   34.426 -173.6727  109.481   40.744   36.265   49.043   24.254   55.945   20.223 -6.901901 31.57877 
1 1 1  -14  -26   13 o   65.685   20.929   63.725   38.679   81.409  116.645   61.540   40.999   76.316   33.091   64.715   21.612 11.60160 39.52346 
1 1 1  -14  -26   14 o   72.587   21.852   81.509   42.856   0.0000   0.0000   81.509   42.856  ?   ?    72.587   21.852 0.000000 21.85181 
1 1 1  -14  -26   15 o   76.334   22.042   92.418   44.365   0.0000   0.0000   92.418   44.365  ?   ?    76.334   22.042 0.000000 22.04250 
1 1 1  -14  -26   16 o   63.542   21.358   63.209   40.043   0.0000   0.0000   63.209   40.043  ?   ?    63.542   21.358 0.000000 21.35808 
1 1 1  -14  -26   17 o   53.023   20.233   39.219   37.244   0.0000   0.0000   39.219   37.244  ?   ?    53.023   20.233 0.000000 20.23271 
1 1 1  -14  -25    1 o   98.554   19.170  129.630   45.481  157.943   87.439  119.128   53.252  105.988   31.044   93.459   22.978 12.52891 38.62262 
1 1 1  -14  -25    2 o  156.974   16.129  319.047   62.325  309.281  107.921  323.934   76.343  148.367   30.156  156.743   19.957 -8.376297 36.16198 
1 1 1  -14  -25    3 o  107.376   32.364  164.150   93.963  164.150   93.963   0.0000   0.0000  107.376   32.364  ?   ?  0.000000 32.36363 
1 1 1  -14  -25    4 o  193.580   16.495  485.633   78.978  365.559  127.271  560.827  100.716  159.205   33.093  206.537   19.769 -47.33232 38.54781 
1 1 1  -14  -25    5 f  113.855   18.593  172.443   51.039   99.541   97.143  200.240   59.985   89.120   32.957  122.186   20.377 -33.06641 38.74771 
1 1 1  -14  -25    6 o   69.211   21.237   63.967   40.212  -1.6779   92.418   79.298   44.662   66.408   29.112   76.293   22.141 -9.885254 36.57499 
1 1 1  -14  -25    7 o   92.115   20.185  115.939   45.149   24.775   98.601  140.125   50.786   72.518   30.917  101.259   20.781 -28.74033 37.25190 
1 1 1  -14  -25    8 o  140.934   20.046  267.839   68.560   0.0000   0.0000  267.839   68.560  ?   ?   140.934   20.046 0.000000 20.04558 
1 1 1  -14  -25    9 o  106.806   19.249  155.502   49.451   82.215  108.574  174.684   55.547   84.321   33.830  112.768   20.480 -28.44678 39.54606 
1 1 1  -14  -25   10 o   99.029   19.742  135.710   47.108   81.686  109.021  148.113   52.236   83.178   33.713  102.939   21.031 -19.76094 39.73545 
1 1 1  -14  -25   11 o   96.981   20.944  133.035   49.239 -68.9827  112.450  180.957   54.769   60.774   28.632  114.092   19.950 -53.31800 34.89705 
1 1 1  -14  -25   12 o   72.645   31.644   38.236  107.654   38.236  107.654   0.0000   0.0000   72.645   31.644  ?   ?  0.000000 31.64394 
1 1 1  -14  -25   13 o   42.186   17.915   6.4116   32.875 -40.2826  107.643   11.215   34.524   60.793   28.441   44.555   18.605 16.23779 33.98609 
1 1 1  -14  -25   14 o   95.832   20.777  134.984   48.288  -0.9814  119.381  161.581   52.800   66.625   30.749  105.036   20.866 -38.41068 37.16059 
1 1 1  -14  -25   15 o   57.931   20.856   46.257   38.520   0.0000   0.0000   46.257   38.520  ?   ?    57.931   20.856 0.000000 20.85592 
1 1 1  -14  -25   16 o   50.015   19.619   28.820   35.728   0.0000   0.0000   28.820   35.728  ?   ?    50.015   19.619 0.000000 19.61860 
1 1 1  -14  -25   17 o  100.713   21.935  158.895   53.604   0.0000   0.0000  158.895   53.604  ?   ?   100.713   21.935 0.000000 21.93495 
1 1 1  -14  -25   18 f   71.078   22.095   82.153   43.366   0.0000   0.0000   82.153   43.366  ?   ?    71.078   22.095 0.000000 22.09498 
1 1 1  -14  -24    1 o  176.906   15.593  402.328   68.182  399.868  111.805  403.785   86.030  171.674   26.969  175.647   19.969 -3.972946 33.55678 
1 1 1  -14  -24    2 o  199.310   15.910  510.876   78.526  478.846  125.215  531.638  100.815  187.652   27.541  201.545   20.308 -13.89285 34.21814 
1 1 1  -14  -24    3 o   71.081   21.287   66.913   40.748 -15.4847   83.063   93.027   46.761   61.651   27.289   82.874   22.164 -21.22292 35.15642 
1 1 1  -14  -24    4 o   97.037   31.759  128.711   88.691  128.711   88.691   0.0000   0.0000   97.037   31.759  ?   ?  0.000000 31.75889 
1 1 1  -14  -24    5 o  125.569   18.243  207.638   55.532  117.737   98.745  249.222   67.158   94.679   33.465  137.027   20.235 -42.34805 39.10735 
1 1 1  -14  -24    6 o  244.461   16.962  773.810  102.908  665.555  158.634  852.467  135.220  218.725   29.821  253.940   21.526 -35.21550 36.77836 
1 1 1  -14  -24    7 o  132.344   17.644  230.409   56.859  137.050  106.470  267.658   67.252   99.638   34.785  142.058   19.470 -42.41973 39.86375 
1 1 1  -14  -24    8 o  126.666   17.392  211.616   53.560  247.412  106.590  199.525   61.948  129.533   32.892  121.416   21.203 8.117088 39.13360 
1 1 1  -14  -24    9 o   68.298   22.533   61.070   44.612   0.0000   0.0000   61.070   44.612  ?   ?    68.298   22.533 0.000000 22.53267 
1 1 1  -14  -24   10 o  101.495   21.999  143.061   54.148   0.0000   0.0000  143.061   54.148  ?   ?   101.495   21.999 0.000000 21.99890 
1 1 1  -14  -24   11 o  143.896   35.521  327.489  126.870  327.489  126.870   0.0000   0.0000  143.896   35.521  ?   ?  0.000000 35.52114 
1 1 1  -14  -24   12 o  116.488   18.968  185.601   53.279  147.422  113.080  196.494   60.403   97.396   35.633  118.739   21.146 -21.34290 41.43491 
1 1 1  -14  -24   13 o   79.398   33.039   71.177  108.338   71.177  108.338   0.0000   0.0000   79.398   33.039  ?   ?  0.000000 33.03923 
1 1 1  -14  -24   14 o   85.918   21.077  106.818   44.879   39.325  111.734  119.802   49.006   73.105   32.030   90.649   21.895 -17.54373 38.79844 
1 1 1  -14  -24   15 o   81.516   21.558   98.347   44.558   5.9393  114.681  114.778   48.357   67.482   30.767   87.853   22.070 -20.37063 37.86481 
1 1 1  -14  -24   16 o   89.911   21.129  120.557   46.637   38.403  121.539  134.741   50.503   71.229   32.156   94.715   21.804 -23.48602 38.85107 
1 1 1  -14  -24   17 o   84.712   22.291  111.222   47.794   0.0000   0.0000  111.222   47.794  ?   ?    84.712   22.291 0.000000 22.29115 
1 1 1  -14  -24   18 o   49.692   19.842   27.216   37.156   0.0000   0.0000   27.216   37.156  ?   ?    49.692   19.842 0.000000 19.84205 
1 1 1  -14  -24   19 o   39.276   17.367  -0.3829   33.557   0.0000   0.0000  -0.3829   33.557  ?   ?    39.276   17.367 0.000000 17.36713 
1 1 1  -14  -23    1 o  187.828   20.084  460.106   92.742   0.0000   0.0000  460.106   92.742  ?   ?   187.828   20.084 0.000000 20.08398 
1 1 1  -14  -23    2 o  164.339   15.572  347.201   63.142  359.552  103.740  339.933   79.581  163.131   26.365  161.029   20.237 2.101959 33.23665 
1 1 1  -14  -23    3 o  143.540   16.085  266.279   56.664  258.588   95.494  270.458   70.397  136.680   28.883  143.310   20.234 -6.630005 35.26491 
1 1 1  -14  -23    4 o  125.313   17.095  204.789   52.100  207.833   92.749  203.386   62.974  121.567   30.580  123.542   21.174 -1.975143 37.19524 
1 1 1  -14  -23    5 o   64.299   21.701   51.200   41.339  -2.3482   80.520   70.366   48.173   63.100   27.427   73.420   23.352 -10.31927 36.02192 
1 1 1  -14  -23    6 o  120.866   18.295  192.350   53.491   86.656   96.278  239.544   64.335   86.750   32.665  134.631   19.721 -47.88071 38.15623 
1 1 1  -14  -23    7 o  236.439   16.980  722.760   99.586  608.982  155.753  801.439  129.519  209.022   30.759  246.720   21.229 -37.69769 37.37386 
1 1 1  -14  -23    8 o  110.258   18.956  161.838   50.311  146.157   98.824  167.324   58.452  102.062   33.530  111.128   21.842 -9.065079 40.01684 
1 1 1  -14  -23    9 o  105.836   22.025  152.819   56.316   0.0000   0.0000  152.819   56.316  ?   ?   105.836   22.025 0.000000 22.02489 
1 1 1  -14  -23   11 o  132.227   18.135  232.414   58.304  171.894  113.389  254.167   67.980  107.176   35.941  137.299   20.451 -30.12218 41.35236 
1 1 1  -14  -23   12 o   75.014   21.900   77.808   43.580   74.940  102.423   78.442   48.156   82.284   32.913   75.406   23.257 6.877846 40.30079 
1 1 1  -14  -23   13 o   95.499   20.423  126.746   47.231  171.261  110.753  116.851   52.217  104.301   35.518   90.610   23.029 13.69074 42.33036 
1 1 1  -14  -23   14 f  124.404   36.398  259.531  120.259  259.531  120.259   0.0000   0.0000  124.404   36.398  ?   ?  0.000000 36.39763 
1 1 1  -14  -23   15 o   32.306   15.160 -28.0814   30.986  -2.7447  101.888 -30.6636   32.527   65.418   29.495   32.809   15.440 32.60912 33.29208 
1 1 1  -14  -23   16 o   55.958   20.475   39.211   37.340   84.237  110.363   33.390   39.680   79.751   33.280   54.321   20.847 25.42970 39.27016 
1 1 1  -14  -23   17 o   83.582   21.345  103.880   44.710  151.765  123.489   96.656   47.964   90.754   36.194   79.827   22.881 10.92675 42.81952 
1 1 1  -14  -23   18 o   97.058   22.729  144.488   54.119   0.0000   0.0000  144.488   54.119  ?   ?    97.058   22.729 0.000000 22.72886 
1 1 1  -14  -23   19 o   82.545   22.825  107.549   48.627   0.0000   0.0000  107.549   48.627  ?   ?    82.545   22.825 0.000000 22.82486 
1 1 1  -14  -23   20 o  139.094   21.627  296.315   72.679   0.0000   0.0000  296.315   72.679  ?   ?   139.094   21.627 0.000000 21.62679 
1 1 1  -14  -22    1 o  165.877   15.332  352.725   62.791  356.293  100.803  350.463   80.265  163.107   25.591  163.863   20.032 -0.7559204 32.49904 
1 1 1  -14  -22    2 f  281.747   23.263  1040.62  162.206   0.0000   0.0000  1040.62  162.206  ?   ?   281.747   23.263 0.000000 23.26268 
1 1 1  -14  -22    3 o  203.617   15.919  531.584   80.298  357.595  120.554  670.331  107.655  160.654   31.174  227.535   19.124 -66.88098 36.57272 
1 1 1  -14  -22    4 o  104.900   18.215  145.020   45.985  174.242   81.936  131.584   55.560  112.072   29.041   98.591   22.990 13.48077 37.03908 
1 1 1  -14  -22    5 o   92.755   19.323  114.794   43.305  159.025   80.194   96.587   51.452  107.026   29.196   84.571   23.513 22.45503 37.48657 
1 1 1  -14  -22    6 o  269.843   16.156  934.133  108.367  1075.65  165.314  827.504  143.499  285.582   23.386  250.377   23.215 35.20517 32.95207 
1 1 1  -14  -22    7 o  256.354   26.225  881.976  165.521  881.976  165.521   0.0000   0.0000  256.354   26.225  ?   ?  0.000000 26.22530 
1 1 1  -14  -22    8 f  248.874   16.812  798.693  103.874  781.093  163.005  810.727  134.786  239.766   27.737  248.006   21.992 -8.239670 35.39727 
1 1 1  -14  -22    9 o  190.910   16.291  470.999   76.920  470.217  127.906  471.441   96.274  184.548   28.686  189.067   20.731 -4.519287 35.39312 
1 1 1  -14  -22   10 o   67.275   21.588   58.795   41.100  139.504   93.357   39.391   45.775   99.902   32.578   60.668   22.586 39.23454 39.64162 
1 1 1  -14  -22   11 o  104.225   22.926  149.309   58.047   0.0000   0.0000  149.309   58.047  ?   ?   104.225   22.926 0.000000 22.92579 
1 1 1  -14  -22   12 o  169.180   17.036  374.759   70.992  311.345  125.176  404.827   86.195  143.805   35.153  174.328   20.173 -30.52356 40.53000 
1 1 1  -14  -22   13 o   61.417   21.566   46.381   40.953   43.025  101.495   47.033   44.759   76.240   31.873   62.598   22.487 13.64180 39.00741 
1 1 1  -14  -22   14 o  107.102   20.396  157.741   52.557   20.558  108.019  200.290   60.158   73.018   31.752  120.867   20.674 -47.84895 37.88998 
1 1 1  -14  -22   15 o   77.093   32.298   54.382  104.533   54.382  104.533   0.0000   0.0000   77.093   32.298  ?   ?  0.000000 32.29781 
1 1 1  -14  -22   16 o  124.686   18.986  213.848   57.249  117.147  117.682  243.828   65.525   89.533   35.450  132.328   20.492 -42.79461 40.94648 
1 1 1  -14  -22   17 o   76.570   21.660   85.157   43.271   40.733  113.691   92.682   46.792   73.762   32.314   79.498   22.537 -5.735939 39.39642 
1 1 1  -14  -22   18 o   58.313   20.856   45.039   38.460  178.952  118.417   29.247   40.665   98.013   36.359   52.894   20.872 45.11925 41.92388 
1 1 1  -14  -22   19 o   74.488   22.712   84.482   46.082   0.0000   0.0000   84.482   46.082  ?   ?    74.488   22.712 0.000000 22.71221 
1 1 1  -14  -22   20 o   60.885   22.020   52.812   43.005   0.0000   0.0000   52.812   43.005  ?   ?    60.885   22.020 0.000000 22.01984 
1 1 1  -14  -22   21 o   92.154   23.314  135.574   53.693   0.0000   0.0000  135.574   53.693  ?   ?    92.154   23.314 0.000000 23.31421 
1 1 1  -14  -21    1 o  197.338   15.446  497.611   75.507  412.871  114.394  563.035  100.514  175.514   26.962  208.615   19.521 -33.10118 33.28745 
1 1 1  -14  -21    2 o  314.599   17.820  1269.20  139.421  1194.77  202.986  1335.66  191.828  299.892   27.408  319.245   24.243 -19.35309 36.59153 
1 1 1  -14  -21    3 o  103.850   21.925  144.515   55.075   0.0000   0.0000  144.515   55.075  ?   ?   103.850   21.925 0.000000 21.92518 
1 1 1  -14  -21    4 f  171.002   15.370  374.818   64.931  316.056  100.305  417.202   85.187  152.686   27.310  179.187   19.345 -26.50067 33.46689 
1 1 1  -14  -21    5 o  165.716   15.127  352.062   61.908  378.156  100.154  335.927   78.755  168.419   24.534  160.252   20.124 8.167435 31.73177 
1 1 1  -14  -21    6 o   31.153   14.696 -32.6809   29.800 -63.9362   68.005 -25.2529   33.152   47.915   22.477   35.119   16.207 12.79640 27.71058 
1 1 1  -14  -21    7 o  204.428   16.041  536.660   81.233  470.202  126.675  583.078  105.866  186.030   28.148  211.429   20.301 -25.39896 34.70500 
1 1 1  -14  -21    8 o   91.191   32.342  104.799   92.303  104.799   92.303   0.0000   0.0000   91.191   32.342  ?   ?  0.000000 32.34206 
1 1 1  -14  -21    9 o  131.738   17.593  226.674   56.429  278.432  100.832  203.072   68.090  141.353   29.518  122.694   23.070 18.65845 37.46410 
1 1 1  -14  -21   10 f  188.778   16.242  459.881   75.822  435.800  124.639  474.028   95.533  177.652   29.103  189.915   20.467 -12.26312 35.57963 
1 1 1  -14  -21   11 o  189.655   16.185  464.768   75.917  491.678  127.275  449.906   94.585  189.281   27.751  184.544   20.893 4.737167 34.73650 
1 1 1  -14  -21   12 o  213.875   21.360  606.242  112.554   0.0000   0.0000  606.242  112.554  ?   ?   213.875   21.360 0.000000 21.35981 
1 1 1  -14  -21   13 o  192.958   17.052  485.400   81.320  406.479  137.433  527.917  100.874  166.345   34.227  199.445   20.548 -33.10033 39.92106 
1 1 1  -14  -21   14 f  247.778   17.346  802.849  106.650  775.159  170.472  820.657  136.708  233.517   29.922  246.865   22.420 -13.34850 37.38989 
1 1 1  -14  -21   15 o  146.930   17.999  287.290   64.658  242.892  124.083  303.839   75.756  123.698   37.170  149.654   20.836 -25.95582 42.61163 
1 1 1  -14  -21   16 o  156.272   35.071  384.320  133.499  384.320  133.499   0.0000   0.0000  156.272   35.071  ?   ?  0.000000 35.07067 
1 1 1  -14  -21   17 o   96.947   21.218  132.842   49.941  109.110  116.294  138.209   55.299   88.630   35.194   98.039   22.987 -9.408730 42.03538 
1 1 1  -14  -21   18 o   77.128   22.015   86.029   44.494   12.124  114.023   99.305   48.326   70.264   31.480   82.468   22.734 -12.20345 38.83096 
1 1 1  -14  -21   19 o   41.748   18.159   0.5578   35.349 -68.8700  113.960   7.9490   37.183   59.463   28.254   44.817   19.043 14.64552 34.07215 
1 1 1  -14  -21   20 o  124.284   21.947  227.611   65.623   0.0000   0.0000  227.611   65.623  ?   ?   124.284   21.947 0.000000 21.94659 
1 1 1  -14  -21   21 o   75.269   23.258   87.976   48.133   0.0000   0.0000   87.976   48.133  ?   ?    75.269   23.258 0.000000 23.25801 
1 1 1  -14  -21   22 o   91.570   23.433  133.047   53.805   0.0000   0.0000  133.047   53.805  ?   ?    91.570   23.433 0.000000 23.43285 
1 1 1  -14  -20    1 o  109.228   17.348  155.518   45.736  142.435   74.421  163.459   57.976  102.387   28.206  110.882   21.715 -8.495369 35.59697 
1 1 1  -14  -20    2 o  159.683   15.197  326.310   59.870  319.419   94.228  330.975   77.531  154.782   25.249  159.480   19.901 -4.697662 32.14928 
1 1 1  -14  -20    3 o  114.827   16.715  171.236   46.523  139.205   74.855  191.396   59.386  101.128   28.447  120.471   20.473 -19.34324 35.04809 
1 1 1  -14  -20    4 o  186.110   20.294  450.507   92.788   0.0000   0.0000  450.507   92.788  ?   ?   186.110   20.294 0.000000 20.29400 
1 1 1  -14  -20    5 o  114.877   16.751  171.603   46.639  128.946   79.039  194.390   57.768   97.657   29.738  121.559   19.705 -23.90192 35.67415 
1 1 1  -14  -20    6 o  118.411   16.871  182.326   48.475  161.923   81.832  193.356   60.167  108.348   29.466  120.886   20.674 -12.53823 35.99531 
1 1 1  -14  -20    7 o  234.296   21.439  716.288  124.047   0.0000   0.0000  716.288  124.047  ?   ?   234.296   21.439 0.000000 21.43930 
1 1 1  -14  -20    8 o   93.372   30.164  116.187   80.137  116.187   80.137   0.0000   0.0000   93.372   30.164  ?   ?  0.000000 30.16423 
1 1 1  -14  -20    9 o  301.545   26.752  1214.17  199.357  1214.17  199.357   0.0000   0.0000  301.545   26.752  ?   ?  0.000000 26.75240 
1 1 1  -14  -20   10 o  240.648   16.400  744.069   97.967  723.950  150.402  758.895  129.115  232.282   26.398  240.529   21.731 -8.246521 34.19170 
1 1 1  -14  -20   11 o  276.033   17.338  982.389  118.906  944.740  180.331  1011.35  158.158  264.332   27.733  276.768   23.095 -12.43680 36.08953 
1 1 1  -14  -20   12 o  249.978   16.469  804.955  102.228  899.063  161.694  742.290  131.944  259.018   25.322  236.840   22.583 22.17760 33.92935 
1 1 1  -14  -20   13 o  303.002   18.169  1191.55  136.844  1228.29  211.032  1164.89  179.760  299.548   28.558  294.974   24.629 4.574738 37.71119 
1 1 1  -14  -20   14 o   66.363   22.133   56.144   43.000 -22.5749  100.484   73.791   47.577   66.027   29.569   74.326   23.149 -8.298874 37.55301 
1 1 1  -14  -20   15 o  206.664   17.443  558.445   89.179  421.729  147.411  637.365  111.999  167.357   36.316  218.901   20.736 -51.54372 41.81894 
1 1 1  -14  -20   16 f  104.627   20.666  149.831   52.080  149.875  111.910  149.819   58.840  101.218   35.642  103.531   23.319 -2.312988 42.59320 
1 1 1  -14  -20   17 o   97.628   35.610  140.741  112.813  140.741  112.813   0.0000   0.0000   97.628   35.610  ?   ?  0.000000 35.60979 
1 1 1  -14  -20   18 o   87.523   22.127  108.995   48.387   60.166  114.102  119.701   53.429   79.756   33.595   91.259   23.350 -11.50255 40.91265 
1 1 1  -14  -20   19 o  121.448   19.562  204.541   57.312  196.412  125.380  206.688   64.438  106.325   37.696  120.416   22.249 -14.09113 43.77191 
1 1 1  -14  -20   20 o   77.615   22.117   88.246   44.946  168.758  122.243   75.660   48.332   97.639   36.799   72.164   23.436 25.47526 43.62807 
1 1 1  -14  -20   21 o  167.585   21.427  405.599   87.618   0.0000   0.0000  405.599   87.618  ?   ?   167.585   21.427 0.000000 21.42723 
1 1 1  -14  -20   22 o   54.371   20.998   35.300   40.441   0.0000   0.0000   35.300   40.441  ?   ?    54.371   20.998 0.000000 20.99812 
1 1 1  -14  -20   23 o   60.100   22.020   50.819   43.205   0.0000   0.0000   50.819   43.205  ?   ?    60.100   22.020 0.000000 22.01968 
1 1 1  -14  -20   24 o   50.487   20.659   25.712   41.415   0.0000   0.0000   25.712   41.415  ?   ?    50.487   20.659 0.000000 20.65876 
1 1 1  -14  -19    1 f  198.387   14.922  500.986   73.386  483.708  109.249  515.193   99.064  192.345   23.214  199.662   20.144 -7.317032 30.73572 
1 1 1  -14  -19    2 o  268.299   16.221  917.316  108.166  889.279  157.250  942.496  149.022  260.857   24.424  269.572   22.339 -8.714966 33.09926 
1 1 1  -14  -19    3 o  205.506   14.863  537.796   75.759  562.722  112.260  516.951  102.660  207.911   21.954  199.573   20.910 8.337799 30.31823 
1 1 1  -14  -19    4 o   74.268   20.234   73.144   38.547  100.790   65.349   58.392   47.735   87.452   27.113   69.072   23.319 18.38018 35.76142 
1 1 1  -14  -19    5 o  128.184   20.575  216.149   63.631   0.0000   0.0000  216.149   63.631  ?   ?   128.184   20.575 0.000000 20.57465 
1 1 1  -14  -19    6 o   99.808   22.270  133.666   54.097   0.0000   0.0000  133.666   54.097  ?   ?    99.808   22.270 0.000000 22.27031 
1 1 1  -14  -19    7 o  102.640   29.117  144.110   78.079  144.110   78.079   0.0000   0.0000  102.640   29.117  ?   ?  0.000000 29.11667 
1 1 1  -14  -19    8 o  189.070   15.358  457.418   71.887  468.389  112.306  449.802   93.567  187.949   24.512  185.743   20.515 2.206787 31.96386 
1 1 1  -14  -19    9 f  271.365   16.753  943.711  112.969  901.844  167.137  978.926  153.285  260.600   26.031  273.548   22.643 -12.94775 34.50144 
1 1 1  -14  -19   10 o  278.722   26.029  1032.57  179.069  1032.57  179.069   0.0000   0.0000  278.722   26.029  ?   ?  0.000000 26.02886 
1 1 1  -14  -19   11 f  259.185   16.667  862.511  107.301  854.482  162.636  868.699  142.786  253.027   26.115  257.283   22.449 -4.256119 34.43758 
1 1 1  -14  -19   12 o  288.741   18.139  1076.38  130.122  878.670  193.085  1240.88  176.123  252.739   31.260  307.007   23.143 -54.26823 38.89446 
1 1 1  -14  -19   13 o  111.118   18.963  163.527   50.730  351.138  101.413  100.913   58.587  160.769   26.160   86.263   25.452 74.50624 36.49881 
1 1 1  -14  -19   14 o  156.901   16.883  319.796   65.107  375.705  118.541  295.645   77.911  163.976   30.057  148.997   21.567 14.97891 36.99406 
1 1 1  -14  -19   15 o  164.548   17.431  353.218   70.536  365.746  134.223  348.438   82.906  158.157   34.919  161.896   21.002 -3.738434 40.74779 
1 1 1  -14  -19   16 o  183.869   16.882  440.626   76.648  491.383  136.493  417.249   92.633  186.160   30.411  176.663   21.437 9.497330 37.20732 
1 1 1  -14  -19   17 o  195.967   16.914  502.578   81.959  536.084  143.248  486.271   99.931  192.961   30.761  190.168   21.416 2.792572 37.48182 
1 1 1  -14  -19   18 o  208.686   17.081  573.554   88.236  649.723  151.295  534.293  108.622  212.180   29.339  197.775   22.388 14.40498 36.90522 
1 1 1  -14  -19   19 o  109.056   21.178  165.680   55.596   90.177  117.529  187.445   63.103   86.285   34.993  115.328   22.719 -29.04375 41.72144 
1 1 1  -14  -19   20 o   69.873   22.413   68.220   44.305   30.037  116.253   74.708   47.921   74.312   32.612   72.722   23.308 1.589806 40.08553 
1 1 1  -14  -19   21 o  179.204   17.429  436.265   77.008  568.523  151.900  390.513   89.341  186.098   33.937  165.503   22.174 20.59413 40.53883 
1 1 1  -14  -19   22 o   95.880   23.700  138.885   56.422   0.0000   0.0000  138.885   56.422  ?   ?    95.880   23.700 0.000000 23.70018 
1 1 1  -14  -19   23 o   88.230   23.663  120.222   53.210   0.0000   0.0000  120.222   53.210  ?   ?    88.230   23.663 0.000000 23.66306 
1 1 1  -14  -19   24 o   45.243   19.238   10.794   37.995   0.0000   0.0000   10.794   37.995  ?   ?    45.243   19.238 0.000000 19.23782 
1 1 1  -14  -19   25 o   43.003   18.773   3.8822   38.079   0.0000   0.0000   3.8822   38.079  ?   ?    43.003   18.773 0.000000 18.77346 
1 1 1  -14  -18    1 o  155.900   23.239  319.032   87.706  319.032   87.706   0.0000   0.0000  155.900   23.239  ?   ?  0.000000 23.23864 
1 1 1  -14  -18    2 o  300.200   17.058  1148.30  127.347  1077.84  183.154  1214.25  177.186  287.119   25.821  306.087   23.357 -18.96878 34.81801 
1 1 1  -14  -18    3 o  172.365   14.699  378.534   62.664  367.484   93.609  387.506   84.352  167.431   22.996  173.009   19.886 -5.577438 30.40169 
1 1 1  -14  -18    4 o  176.322   14.848  396.337   64.770  405.027   97.174  389.391   86.883  175.933   22.644  173.170   20.489 2.762482 30.53751 
1 1 1  -14  -18    5 o   72.733   19.761   70.004   36.824   53.528   64.284   78.051   44.926   71.712   26.752   76.894   22.175 -5.182213 34.74751 
1 1 1  -14  -18    6 o  165.126   20.077  354.565   81.084   0.0000   0.0000  354.565   81.084  ?   ?   165.126   20.077 0.000000 20.07707 
1 1 1  -14  -18    7 f  212.702   15.506  577.451   81.795  523.957  122.939  619.940  109.565  198.984   25.314  218.785   20.285 -19.80046 32.43892 
1 1 1  -14  -18    8 o  102.774   18.073  138.736   44.691  143.469   75.956  136.230   55.271  102.530   28.590  100.727   22.537 1.802765 36.40488 
1 1 1  -14  -18    9 o  240.177   15.753  736.760   93.957  772.885  141.576  708.327  125.604  242.694   23.661  233.093   21.833 9.600845 32.19520 
1 1 1  -14  -18   10 o  360.023   19.128  1668.97  171.352  1683.79  248.813  1655.60  236.324  355.365   28.272  353.352   26.987 2.012573 39.08415 
1 1 1  -14  -18   11 o  108.512   30.214  162.923   84.895  162.923   84.895   0.0000   0.0000  108.512   30.214  ?   ?  0.000000 30.21423 
1 1 1  -14  -18   12 o  151.314   16.450  295.597   61.155  267.122  101.142  312.007   76.781  138.767   30.057  154.179   20.447 -15.41212 36.35233 
1 1 1  -14  -18   13 o  108.212   19.362  155.173   50.399  170.546   92.444  148.671   60.120  110.393   31.801  104.665   23.569 5.727592 39.58322 
1 1 1  -14  -18   14 o   78.858   22.411   83.533   46.213   3.9034   91.220  111.028   53.601   68.110   29.398   90.329   23.528 -22.21962 37.65399 
1 1 1  -14  -18   15 o  253.144   16.906  826.263  106.255  860.531  165.927  802.443  138.341  252.582   26.712  246.345   22.745 6.236313 35.08372 
1 1 1  -14  -18   16 o  225.625   21.845  673.746  121.539   0.0000   0.0000  673.746  121.539  ?   ?   225.625   21.845 0.000000 21.84490 
1 1 1  -14  -18   17 o  111.017   20.326  165.891   54.273  168.682  111.095  165.015   62.201  108.030   35.554  109.557   23.444 -1.527039 42.58741 
1 1 1  -14  -18   18 o   62.088   22.421   45.204   44.564 -11.3576  106.627   57.175   49.053   69.027   30.718   67.649   23.612 1.378349 38.74435 
1 1 1  -14  -18   19 o   77.110   22.903   82.294   47.313  113.788  112.927   75.588   52.107   92.485   35.245   74.673   24.338 17.81168 42.83208 
1 1 1  -14  -18   20 o  176.359   17.835  414.712   77.467  496.174  142.263  380.377   92.360  180.764   32.720  165.497   22.967 15.26720 39.97665 
1 1 1  -14  -18   21 o   71.757   22.910   72.096   46.331   39.906  118.470   77.908   50.340   76.655   33.293   74.279   23.898 2.375763 40.98259 
1 1 1  -14  -18   22 o   57.339   21.530   38.851   41.772   55.010  121.174   36.672   44.500   77.819   33.735   57.299   22.055 20.51977 40.30490 
1 1 1  -14  -18   23 o   66.773   23.117   62.910   46.974   0.0000   0.0000   62.910   46.974  ?   ?    66.773   23.117 0.000000 23.11696 
1 1 1  -14  -18   24 o  133.293   22.262  262.160   71.487   0.0000   0.0000  262.160   71.487  ?   ?   133.293   22.262 0.000000 22.26185 
1 1 1  -14  -18   25 o   68.056   23.431   69.637   48.226   0.0000   0.0000   69.637   48.226  ?   ?    68.056   23.431 0.000000 23.43092 
1 1 1  -14  -18   26 o   88.511   23.858  125.131   53.929   0.0000   0.0000  125.131   53.929  ?   ?    88.511   23.858 0.000000 23.85781 
1 1 1  -14  -17    1 o  142.562   11.057  256.875   39.055  257.876   78.695  256.548   44.985  140.034   23.325  142.177   12.808 -2.143036 26.60991 
1 1 1  -14  -17    2 o  235.066   22.358  714.439  129.660  714.439  129.660   0.0000   0.0000  235.066   22.358  ?   ?  0.000000 22.35786 
1 1 1  -14  -17    3 f  433.797   21.290  2410.05  230.623  2388.52  328.134  2431.07  324.203  424.882   31.144  429.196   30.447 -4.314087 43.55366 
1 1 1  -14  -17    4 o  245.383   15.698  765.747   95.690  675.015  137.738  850.391  133.036  227.268   24.666  256.882   20.921 -29.61461 32.34294 
1 1 1  -14  -17    5 o  323.965   25.057  1368.17  201.132   0.0000   0.0000  1368.17  201.132  ?   ?   323.965   25.057 0.000000 25.05664 
1 1 1  -14  -17    6 o  183.591   22.866  440.851  102.561  440.851  102.561   0.0000   0.0000  183.591   22.866  ?   ?  0.000000 22.86638 
1 1 1  -14  -17    7 o  297.585   23.845  1153.87  175.709   0.0000   0.0000  1153.87  175.709  ?   ?   297.585   23.845 0.000000 23.84481 
1 1 1  -14  -17    8 o  305.626   17.571  1194.69  133.539  1087.23  193.637  1292.16  184.408  286.689   27.380  314.928   23.621 -28.23923 36.16104 
1 1 1  -14  -17    9 o  156.974   15.445  315.731   59.758  339.146   94.178  299.950   77.316  159.884   24.358  151.327   21.028 8.557449 32.17902 
1 1 1  -14  -17   10 f  199.012   14.984  505.358   73.920  624.630  116.081  424.001   95.871  219.037   21.499  180.004   21.771 39.03268 30.59719 
1 1 1  -14  -17   11 o  226.938   15.859  658.265   89.308  644.307  134.730  669.205  119.279  220.866   24.860  226.750   21.315 -5.884064 32.74699 
1 1 1  -14  -17   12 o  173.871   25.879  404.378  108.939  404.378  108.939   0.0000   0.0000  173.871   25.879  ?   ?  0.000000 25.87918 
1 1 1  -14  -17   13 o   81.115   21.416   88.263   44.019   78.553   82.836   92.084   51.963   82.869   30.470   82.904   23.831 -0.3468323E-01 38.68282 
1 1 1  -14  -17   14 o  209.109   16.156  561.233   83.708  555.870  131.601  564.877  108.482  203.575   26.517  207.790   21.204 -4.215118 33.95176 
1 1 1  -14  -17   15 o  253.847   16.761  828.219  105.653  852.848  162.851  810.317  138.837  252.559   26.202  248.195   22.650 4.363953 34.63528 
1 1 1  -14  -17   16 o  352.643   19.634  1614.55  172.214  1573.57  254.325  1649.24  234.034  339.338   30.332  350.615   26.936 -11.27652 40.56600 
1 1 1  -14  -17   17 o   50.082   21.151   6.1017   45.418   0.0000   0.0000   6.1017   45.418  ?   ?    50.082   21.151 0.000000 21.15093 
1 1 1  -14  -17   18 o   69.829   22.896   63.117   46.087   66.418  101.225   62.254   51.763   82.466   32.806   70.485   24.275 11.98113 40.81073 
1 1 1  -14  -17   19 o  105.326   21.441  151.451   54.475   35.796  110.151  188.896   62.677   77.869   32.916  117.635   22.149 -39.76608 39.67384 
1 1 1  -14  -17   20 o  170.571   17.523  383.792   73.578  438.235  135.373  360.965   87.656  172.003   32.712  162.863   22.126 9.140808 39.49250 
1 1 1  -14  -17   21 f  222.521   31.919  737.621  172.288  737.621  172.288   0.0000   0.0000  222.521   31.919  ?   ?  0.000000 31.91928 
1 1 1  -14  -17   22 o   92.399   22.238  121.720   50.693  260.968  123.122   93.296   55.627  124.828   36.916   80.505   25.024 44.32347 44.59805 
1 1 1  -14  -17   23 o  122.244   20.265  209.161   59.695  161.869  129.447  221.934   67.275   98.114   37.653  124.528   22.460 -26.41432 43.84324 
1 1 1  -14  -17   24 f  113.884   23.318  191.406   64.083   0.0000   0.0000  191.406   64.083  ?   ?   113.884   23.318 0.000000 23.31837 
1 1 1  -14  -17   25 o   80.840   24.164  100.333   52.544   0.0000   0.0000  100.333   52.544  ?   ?    80.840   24.164 0.000000 24.16442 
1 1 1  -14  -17   26 f   98.936   23.812  151.616   58.121   0.0000   0.0000  151.616   58.121  ?   ?    98.936   23.812 0.000000 23.81217 
1 1 1  -14  -17   27 o  154.897   22.328  362.184   83.873   0.0000   0.0000  362.184   83.873  ?   ?   154.897   22.328 0.000000 22.32848 
1 1 1  -14  -16    1 o  229.231   12.402  662.625   70.730  551.658  127.801  711.620   84.921  205.750   25.414  237.180   14.406 -31.43056 29.21326 
1 1 1  -14  -16    2 o  222.117   11.800  621.871   65.216  601.576  117.794  630.841   78.314  215.895   22.163  223.267   14.119 -7.371979 26.27855 
1 1 1  -14  -16    3 o  452.757   32.262  2706.76  362.377  2706.76  362.377   0.0000   0.0000  452.757   32.262  ?   ?  0.000000 32.26229 
1 1 1  -14  -16    4 o  387.752   28.289  1966.99  272.030   0.0000   0.0000  1966.99  272.030  ?   ?   387.752   28.289 0.000000 28.28905 
1 1 1  -14  -16    5 o  238.764   22.772  738.656  134.132  738.656  134.132   0.0000   0.0000  238.764   22.772  ?   ?  0.000000 22.77237 
1 1 1  -14  -16    6 o  134.263   15.570  231.217   51.233  143.875   77.375  299.408   68.368  103.250   28.879  152.316   18.343 -49.06659 34.21215 
1 1 1  -14  -16    7 o  199.688   14.839  507.282   73.465  516.322  109.522  499.888   99.055  199.162   22.411  196.590   20.478 2.571838 30.35761 
1 1 1  -14  -16    8 o  283.765   23.234  1046.28  163.197   0.0000   0.0000  1046.28  163.197  ?   ?   283.765   23.234 0.000000 23.23413 
1 1 1  -14  -16    9 f  180.996   15.011  417.865   67.235  405.785  102.563  426.969   89.035  175.506   24.033  181.527   19.972 -6.020172 31.24814 
1 1 1  -14  -16   10 o  215.554   15.057  591.922   80.539  668.478  121.773  532.396  107.379  226.772   21.771  202.235   21.596 24.53700 30.66562 
1 1 1  -14  -16   11 o  282.718   16.563  1020.74  116.425  1081.59  171.443  968.666  158.606  287.553   24.098  272.311   23.556 15.24240 33.69842 
1 1 1  -14  -16   12 o  291.894   17.355  1090.89  125.932  1025.30  184.560  1148.03  172.264  278.182   26.904  296.487   23.458 -18.30539 35.69485 
1 1 1  -14  -16   13 o  216.113   24.740  616.928  131.108  616.928  131.108   0.0000   0.0000  216.113   24.740  ?   ?  0.000000 24.73967 
1 1 1  -14  -16   14 o  167.434   15.921  360.041   65.768  392.101  106.457  340.252   83.638  171.216   25.692  160.966   21.333 10.25003 33.39392 
1 1 1  -14  -16   15 o  348.694   18.853  1566.84  163.552  1643.77  240.541  1500.70  223.043  351.018   27.666  335.971   26.808 15.04681 38.52372 
1 1 1  -14  -16   16 o  344.153   19.128  1530.20  163.739  1516.94  241.251  1541.52  222.953  335.430   29.090  340.318   26.442 -4.888000 39.31164 
1 1 1  -14  -16   17 o  109.976   20.054  160.983   53.045  199.967   99.851  145.655   62.610  118.745   32.655  103.208   24.635 15.53664 40.90529 
1 1 1  -14  -16   18 o  163.483   21.367  354.038   85.144   0.0000   0.0000  354.038   85.144  ?   ?   163.483   21.367 0.000000 21.36704 
1 1 1  -14  -16   19 o   96.921   22.076  128.130   52.236  148.643  106.955  121.705   59.861  103.188   34.905   93.803   25.073 9.384735 42.97699 
1 1 1  -14  -16   20 o  241.698   17.340  760.859  103.963  781.110  168.008  748.294  132.343  236.478   29.062  236.263   22.711 0.2144165 36.88374 
1 1 1  -14  -16   21 o  176.079   17.601  408.387   76.356  406.175  137.722  409.368   91.748  164.221   34.672  174.094   21.565 -9.873138 40.83107 
1 1 1  -14  -16   22 o  142.066   36.153  319.418  128.580  319.418  128.580   0.0000   0.0000  142.066   36.153  ?   ?  0.000000 36.15345 
1 1 1  -14  -16   23 o   72.410   22.986   73.062   46.691   15.341  114.494   84.575   51.136   72.644   32.103   77.219   23.991 -4.574982 40.07700 
1 1 1  -14  -16   24 o  200.991   17.664  545.320   87.757  670.589  163.311  494.461  104.058  205.859   32.874  186.850   22.772 19.00887 39.99121 
1 1 1  -14  -16   25 o  123.655   23.106  223.488   68.727   0.0000   0.0000  223.488   68.727  ?   ?   123.655   23.106 0.000000 23.10644 
1 1 1  -14  -16   26 o   54.265   21.700   29.986   44.513   0.0000   0.0000   29.986   44.513  ?   ?    54.265   21.700 0.000000 21.70022 
1 1 1  -14  -16   27 o  110.922   24.054  189.122   64.710   0.0000   0.0000  189.122   64.710  ?   ?   110.922   24.054 0.000000 24.05441 
1 1 1  -14  -16   28 o  100.977   24.500  161.663   61.150   0.0000   0.0000  161.663   61.150  ?   ?   100.977   24.500 0.000000 24.50021 
1 1 1  -14  -15    1 o  230.248   12.286  667.829   70.387  555.746  127.262  717.228   84.486  206.945   25.142  238.277   14.264 -31.33229 28.90694 
1 1 1  -14  -15    2 o  203.290   11.036  520.197   55.817  635.134  103.136  472.588   66.378  223.134   18.681  193.276   13.845 29.85791 23.25234 
1 1 1  -14  -15    3 o  467.132   18.343  2766.14  213.969  2595.82  373.291  2849.48  261.123  443.412   33.971  472.502   22.130 -29.09061 40.54345 
1 1 1  -14  -15    4 o  187.860   14.797  447.957   68.856  283.716  102.137  584.788   93.226  145.459   29.134  214.138   17.589 -68.67894 34.03225 
1 1 1  -14  -15    5 o  493.762   23.541  3130.24  290.259  3119.93  412.297  3140.36  408.703  484.536   34.296  486.502   33.852 -1.965790 48.18939 
1 1 1  -14  -15    6 o  245.943   15.387  767.770   94.027  796.006  136.768  742.464  129.479  248.262   22.299  239.863   21.856 8.399155 31.22391 
1 1 1  -14  -15    7 o  123.020   15.550  194.459   46.704  179.671   72.130  205.135   61.287  115.697   25.640  125.235   20.291 -9.537781 32.69760 
1 1 1  -14  -15    8 o   82.164   18.872   89.397   37.905  100.292   62.558   83.076   47.648   87.320   26.427   79.381   22.821 7.939247 34.91657 
1 1 1  -14  -15    9 o  256.186   22.139  849.972  140.240   0.0000   0.0000  849.972  140.240  ?   ?   256.186   22.139 0.000000 22.13874 
1 1 1  -14  -15   10 o  300.630   17.218  1153.52  128.721  1109.42  186.700  1193.48  177.710  290.825   25.981  302.926   23.681 -12.10034 35.15381 
1 1 1  -14  -15   11 o  167.933   14.773  359.874   61.323  450.115   95.604  296.796   79.931  186.098   20.936  150.363   21.933 35.73524 30.32132 
1 1 1  -14  -15   12 o  129.595   16.484  216.849   52.138  211.169   84.749  220.308   66.135  124.493   27.946  129.306   21.218 -4.813545 35.08803 
1 1 1  -14  -15   13 o  106.594   18.380  149.104   47.158  184.822   80.272  130.281   58.274  116.278   27.983   98.276   23.962 18.00160 36.84051 
1 1 1  -14  -15   14 o  272.470   25.484  978.427  171.384  978.427  171.384   0.0000   0.0000  272.470   25.484  ?   ?  0.000000 25.48434 
1 1 1  -14  -15   15 o   83.982   21.563   94.585   45.455   89.306   83.456   96.812   54.200   86.154   30.732   85.011   24.309 1.142792 39.18401 
1 1 1  -14  -15   16 o  179.096   16.667  412.678   73.683  305.789  116.758  483.419   94.986  147.906   32.499  192.757   20.026 -44.85059 38.17363 
1 1 1  -14  -15   17 o  377.638   20.005  1845.41  187.979  1896.41  275.086  1800.74  257.472  375.167   29.603  366.651   28.341 8.516602 40.98214 
1 1 1  -14  -15   18 o   69.868   22.815   62.230   45.781   26.201   93.052   73.737   52.585   73.038   30.525   75.497   24.439 -2.458664 39.10351 
1 1 1  -14  -15   19 o  133.649   22.621  239.604   72.804   0.0000   0.0000  239.604   72.804  ?   ?   133.649   22.621 0.000000 22.62134 
1 1 1  -14  -15   20 o  139.174   18.305  254.439   62.075  373.843  117.768  208.501   73.047  163.312   29.982  123.388   24.571 39.92456 38.76392 
1 1 1  -14  -15   21 o  366.814   20.062  1768.68  183.069  1882.79  274.373  1677.12  245.779  367.194   30.190  348.473   28.493 18.72110 41.51239 
1 1 1  -14  -15   22 o  302.021   18.613  1200.12  139.698  1254.67  217.312  1161.70  182.374  297.635   29.632  290.920   25.357 6.715546 39.00061 
1 1 1  -14  -15   23 o  102.033   36.708  156.836  119.309  156.836  119.309   0.0000   0.0000  102.033   36.708  ?   ?  0.000000 36.70774 
1 1 1  -14  -15   24 o  107.886   21.592  163.180   56.140  250.477  126.897  141.936   62.599  122.296   37.760   98.676   25.288 23.61953 45.44551 
1 1 1  -14  -15   25 o  148.410   18.783  301.247   68.053  397.920  144.156  273.524   77.197  152.023   38.060  138.326   23.167 13.69682 44.55629 
1 1 1  -14  -15   26 o   90.233   24.768  122.879   57.503   0.0000   0.0000  122.879   57.503  ?   ?    90.233   24.768 0.000000 24.76752 
1 1 1  -14  -15   27 o   76.140   24.539   87.619   53.060   0.0000   0.0000   87.619   53.060  ?   ?    76.140   24.539 0.000000 24.53933 
1 1 1  -14  -15   28 o   58.651   22.901   41.549   48.511   0.0000   0.0000   41.549   48.511  ?   ?    58.651   22.901 0.000000 22.90065 
1 1 1  -14  -15   29 o  187.818   23.731  538.101  108.820   0.0000   0.0000  538.101  108.820  ?   ?   187.818   23.731 0.000000 23.73136 
1 1 1  -14  -14    1 o  545.347   20.702  3769.78  281.932  3299.33  489.757  4002.94  344.790  499.036   39.627  560.213   24.646 -61.17728 46.66591 
1 1 1  -14  -14    2 o  420.086   16.870  2226.97  176.969  2081.74  308.879  2297.93  215.921  400.013   31.168  425.717   20.311 -25.70328 37.20144 
1 1 1  -14  -14    3 o  566.267   20.335  4069.85  287.549  4425.07  502.505  3896.91  350.630  580.529   34.824  551.568   25.457 28.96063 43.13633 
1 1 1  -14  -14    4 o  369.701   15.656  1724.40  144.535  1521.99  252.565  1822.96  176.247  341.525   29.916  379.312   18.607 -37.78647 35.23028 
1 1 1  -14  -14    5 o  246.800   15.131  771.238   92.802  746.825  136.314  792.328  126.698  240.682   22.959  248.718   20.584 -8.035660 30.83510 
1 1 1  -14  -14    6 o  316.772   14.095  1265.00  111.498  1152.87  196.742  1318.06  135.328  297.651   26.755  322.257   16.875 -24.60571 31.63218 
1 1 1  -14  -14    7 o  498.969   23.730  3199.17  295.681  3217.07  420.189  3181.61  416.154  491.754   34.435  489.155   34.286 2.599335 48.59255 
1 1 1  -14  -14    8 o  255.898   15.672  831.590   99.665  850.845  144.694  814.208  137.478  256.484   22.830  251.116   22.150 5.368469 31.80949 
1 1 1  -14  -14    9 o  244.793   15.316  761.121   93.152  827.663  136.376  702.921  127.541  253.177   21.783  233.033   22.185 20.14333 31.09107 
1 1 1  -14  -14   10 o  410.570   29.696  2225.58  302.409   0.0000   0.0000  2225.58  302.409  ?   ?   410.570   29.696 0.000000 29.69589 
1 1 1  -14  -14   11 o  260.970   16.181  867.414  104.929  835.803  153.241  895.318  143.976  252.944   24.571  262.939   22.133 -9.995300 33.06947 
1 1 1  -14  -14   12 o  148.976   15.672  284.468   57.430  256.144   88.701  304.910   75.356  137.995   26.706  153.039   20.213 -15.04327 33.49268 
1 1 1  -14  -14   13 o  224.895   15.679  644.892   87.505  626.639  130.422  659.836  118.008  218.544   24.310  225.598   21.196 -7.054520 32.25258 
1 1 1  -14  -14   14 o  230.520   15.937  678.212   91.179  656.539  136.672  695.594  122.399  223.344   24.930  231.484   21.417 -8.140244 32.86646 
1 1 1  -14  -14   15 o  283.389   25.694  1057.43  179.856  1057.43  179.856   0.0000   0.0000  283.389   25.694  ?   ?  0.000000 25.69438 
1 1 1  -14  -14   16 o  270.129   17.086  934.366  114.664  853.163  170.013  1002.12  155.302  253.234   27.318  277.245   22.629 -24.01096 35.47286 
1 1 1  -14  -14   17 o  154.702   16.701  308.611   63.497  374.843  107.215  272.830   78.804  166.997   26.602  143.403   22.767 23.59412 35.01406 
1 1 1  -14  -14   18 o  230.181   16.322  679.181   93.212  754.094  145.553  627.099  121.363  238.719   24.777  218.568   22.560 20.15016 33.50936 
1 1 1  -14  -14   19 o  125.798   19.152  208.075   58.266  161.585  106.452  227.960   69.621  108.105   34.749  130.776   22.107 -22.67125 41.18511 
1 1 1  -14  -14   20 o  299.243   24.789  1190.14  183.570   0.0000   0.0000  1190.14  183.570  ?   ?   299.243   24.789 0.000000 24.78888 
1 1 1  -14  -14   21 o   94.636   22.891  122.440   53.507   0.1125  108.734  161.527   61.464   72.544   31.695  108.786   23.325 -36.24263 39.35308 
1 1 1  -14  -14   22 o  197.140   17.280  506.353   84.208  547.936  143.953  484.722  103.825  197.277   30.181  190.291   22.270 6.986237 37.50769 
1 1 1  -14  -14   23 o  100.919   22.567  141.036   55.447   31.487  113.658  175.250   63.518   77.517   33.124  112.410   23.389 -34.89379 40.54940 
1 1 1  -14  -14   24 o  128.921   37.954  267.780  130.406  267.780  130.406   0.0000   0.0000  128.921   37.954  ?   ?  0.000000 37.95433 
1 1 1  -14  -14   25 o  221.738   18.011  656.651   98.869  671.308  170.817  649.267  121.242  208.290   34.015  216.381   22.780 -8.091385 40.93845 
1 1 1  -14  -14   26 o  181.300   18.161  445.161   81.116  484.279  153.724  430.066   95.493  169.822   37.272  174.762   22.397 -4.940582 43.48323 
1 1 1  -14  -14   27 o   64.196   23.246   54.544   47.947   28.561  130.793   58.577   51.535   74.990   33.649   66.192   24.079 8.798233 41.37688 
1 1 1  -14  -14   28 o  110.837   24.745  186.638   66.756   0.0000   0.0000  186.638   66.756  ?   ?   110.837   24.745 0.000000 24.74513 
1 1 1  -14  -14   30 o   61.866   23.571   51.864   50.501   0.0000   0.0000   51.864   50.501  ?   ?    61.866   23.571 0.000000 23.57140 
1 1 1  -14  -13    1 o  359.968   15.167  1629.49  136.333  1381.71  237.311  1751.55  166.562  327.081   29.367  372.687   17.897 -45.60562 34.39100 
1 1 1  -14  -13    2 o  372.031   18.986  1753.03  175.802   0.0000   0.0000  1753.03  175.802  ?   ?   372.031   18.986 0.000000 18.98641 
1 1 1  -14  -13    3 o  419.129   29.779  2271.87  309.655  2271.87  309.655   0.0000   0.0000  419.129   29.779  ?   ?  0.000000 29.77938 
1 1 1  -14  -13    4 o  267.627   12.747  899.755   85.192  890.749  151.780  903.897  102.935  263.452   23.311  267.423   15.480 -3.970337 27.98321 
1 1 1  -14  -13    5 o  294.186   12.538  1087.45   92.109  1279.41  164.328  999.511  111.225  316.677   20.897  281.065   15.912 35.61130 26.26591 
1 1 1  -14  -13    6 o  586.808   27.377  4439.06  401.175  4225.71  569.521  4649.20  565.199  560.554   40.969  590.485   38.542 -29.93097 56.24900 
1 1 1  -14  -13    7 o  413.170   16.109  2157.21  166.206  2334.19  292.367  2072.71  202.027  424.019   27.765  403.679   20.041 20.34073 34.24238 
1 1 1  -14  -13    8 o  202.273   11.333  515.703   57.013  534.898  106.098  507.910   67.604  203.696   21.167  200.321   13.595 3.375519 25.15684 
1 1 1  -14  -13    9 o  254.339   15.543  820.946   98.243  879.464  143.053  768.708  135.157  261.168   22.143  243.948   22.438 17.21954 31.52429 
1 1 1  -14  -13   10 o  125.234   15.709  201.488   48.047  192.554   74.347  207.895   62.961  119.892   25.611  126.000   20.731 -6.107307 32.94989 
1 1 1  -14  -13   11 o  299.318   23.953  1162.64  177.540   0.0000   0.0000  1162.64  177.540  ?   ?   299.318   23.953 0.000000 23.95341 
1 1 1  -14  -13   12 o  284.967   16.639  1034.34  117.889  1041.07  171.544  1028.31  162.281  282.672   24.546  281.502   23.295 1.170105 33.83979 
1 1 1  -14  -13   13 o  243.599   15.811  755.636   95.659  763.853  140.853  748.602  130.325  242.088   23.599  240.312   21.960 1.775696 32.23592 
1 1 1  -14  -13   14 o  241.270   16.009  742.097   95.903  699.041  141.335  778.839  130.560  230.790   24.919  245.197   21.541 -14.40657 32.93900 
1 1 1  -14  -13   15 o  226.506   15.996  654.739   89.899  607.643  134.435  692.834  120.910  214.592   25.592  231.201   21.177 -16.60930 33.21782 
1 1 1  -14  -13   16 o  275.052   25.449  994.499  172.819  994.499  172.819   0.0000   0.0000  275.052   25.449  ?   ?  0.000000 25.44930 
1 1 1  -14  -13   17 o  366.185   19.730  1726.14  179.748  1645.56  260.093  1799.81  248.695  350.724   29.985  369.051   27.177 -18.32669 40.46835 
1 1 1  -14  -13   18 o  374.747   20.088  1811.94  187.298  1749.08  271.399  1869.09  258.810  360.793   30.406  375.165   27.824 -14.37204 41.21532 
1 1 1  -14  -13   19 o   63.670   22.658   46.456   45.342   70.463   90.094   38.313   52.471   82.422   31.464   63.046   24.025 19.37674 39.58809 
1 1 1  -14  -13   20 o  168.682   17.196  367.714   71.421  368.654  120.729  367.208   88.585  163.232   30.746  166.910   21.772 -3.678421 37.67398 
1 1 1  -14  -13   21 o  138.720   22.755  257.436   76.093   0.0000   0.0000  257.436   76.093  ?   ?   138.720   22.755 0.000000 22.75527 
1 1 1  -14  -13   22 o  212.952   17.141  587.046   90.382  621.277  149.810  567.456  113.331  212.471   28.992  206.856   22.292 5.615677 36.57121 
1 1 1  -14  -13   23 o  189.016   17.582  466.254   82.039  453.153  142.837  472.703  100.217  176.891   33.564  188.249   21.717 -11.35831 39.97690 
1 1 1  -14  -13   24 o  155.999   18.378  322.063   70.220  390.317  131.383  294.770   83.082  162.353   33.517  146.623   23.484 15.72917 40.92508 
1 1 1  -14  -13   25 o  162.365   36.210  410.570  143.076  410.570  143.076   0.0000   0.0000  162.365   36.210  ?   ?  0.000000 36.20968 
1 1 1  -14  -13   26 o  124.093   20.545  212.257   61.439  266.667  132.054  197.225   69.409  125.905   38.461  117.303   24.486 8.602531 45.59357 
1 1 1  -14  -13   27 o   60.738   22.854   43.603   47.114 -48.1641  123.744   59.161   50.951   65.872   30.710   67.013   24.001 -1.140511 38.97654 
1 1 1  -14  -13   28 o  153.960   19.920  330.740   74.791  305.825  153.693  338.470   85.612  124.393   41.843  153.135   23.106 -28.74281 47.79916 
1 1 1  -14  -13   29 o  237.746   24.425  835.984  142.950   0.0000   0.0000  835.984  142.950  ?   ?   237.746   24.425 0.000000 24.42516 
1 1 1  -14  -13   30 o   86.716   25.438  118.273   58.673   0.0000   0.0000  118.273   58.673  ?   ?    86.716   25.438 0.000000 25.43838 
1 1 1  -14  -13   31 o   58.326   23.027   41.173   49.521   0.0000   0.0000   41.173   49.521  ?   ?    58.326   23.027 0.000000 23.02709 
1 1 1  -14  -12    1 o  642.721   23.240  5234.98  373.008  5737.74  649.990  4988.11  455.471  662.728   39.454  624.727   29.196 38.00104 49.08163 
1 1 1  -14  -12    2 o  363.840   15.261  1664.10  138.660  1459.48  241.087  1765.24  169.501  336.651   28.959  374.214   18.139 -37.56296 34.17103 
1 1 1  -14  -12    3 o  373.392   14.371  1751.93  133.996  2016.77  235.771  1625.58  162.854  397.737   23.848  358.528   18.250 39.20908 30.02989 
1 1 1  -14  -12    4 o  358.400   13.497  1613.50  120.795  1966.25  214.101  1448.78  146.304  393.146   21.895  338.519   17.365 54.62692 27.94533 
1 1 1  -14  -12    5 o  400.978   15.930  2025.67  159.512  2108.67  279.575  1985.61  194.228  404.529   27.845  396.073   19.638 8.456482 34.07333 
1 1 1  -14  -12    6 o  552.154   25.650  3902.91  353.664  3853.58  502.581  3951.29  497.766  540.050   37.499  547.577   36.613 -7.527100 52.40919 
1 1 1  -14  -12    7 o  268.343   12.336  904.774   82.661  926.526  147.124  894.740   99.924  268.837   22.111  266.019   15.104 2.818634 26.77762 
1 1 1  -14  -12    8 o  236.315   12.296  703.858   72.311  559.147  129.264  769.769   87.239  207.195   25.523  246.782   14.216 -39.58627 29.21500 
1 1 1  -14  -12    9 o  372.346   15.655  1751.52  145.566  1600.50  255.617  1823.99  177.085  349.658   29.552  379.026   18.709 -29.36783 34.97636 
1 1 1  -14  -12   10 o  422.781   16.804  2264.18  177.406  2238.41  311.503  2276.56  215.827  412.728   30.439  422.480   20.457 -9.751923 36.67434 
1 1 1  -14  -12   11 o  199.717   14.946  506.782   73.999  491.035  109.260  520.126  100.578  194.316   22.960  200.900   20.328 -6.584717 30.66579 
1 1 1  -14  -12   12 o  400.113   29.084  2104.43  288.609   0.0000   0.0000  2104.43  288.609  ?   ?   400.113   29.084 0.000000 29.08417 
1 1 1  -14  -12   13 o  331.951   17.903  1405.87  147.857  1458.80  213.566  1357.15  204.906  334.398   25.774  322.541   25.652 11.85754 36.36365 
1 1 1  -14  -12   14 o  477.074   23.137  2935.80  275.642  2944.50  393.069  2927.38  386.644  468.370   33.835  467.471   33.340 0.8987427 47.50074 
1 1 1  -14  -12   15 o  224.906   15.538  644.235   86.731  695.738  129.668  602.541  116.671  231.252   22.749  215.348   22.005 15.90402 31.64975 
1 1 1  -14  -12   16 o  333.553   18.279  1423.77  151.676  1437.06  219.767  1411.68  209.600  330.534   26.858  328.237   25.779 2.296783 37.22725 
1 1 1  -14  -12   17 o  152.887   26.953  313.982   99.142  313.982   99.142   0.0000   0.0000  152.887   26.953  ?   ?  0.000000 26.95279 
1 1 1  -14  -12   18 f  260.061   16.958  865.105  109.524  783.174  162.700  932.997  148.107  242.821   27.305  267.814   22.350 -24.99315 35.28599 
1 1 1  -14  -12   19 o   58.306   21.975   33.358   43.592 -33.0723   81.391   60.078   51.619   58.606   26.399   70.475   24.242 -11.86847 35.84132 
1 1 1  -14  -12   20 o  182.045   16.959  426.521   76.208  380.503  121.490  456.375   97.853  166.569   30.325  186.784   21.363 -20.21500 37.09439 
1 1 1  -14  -12   21 o  172.425   16.862  383.417   71.674  471.429  121.316  336.223   88.835  187.250   26.701  159.176   23.017 28.07465 35.25238 
1 1 1  -14  -12   22 f  182.870   21.895  441.277   97.997   0.0000   0.0000  441.277   97.997  ?   ?   182.870   21.895 0.000000 21.89472 
1 1 1  -14  -12   23 o  156.418   18.331  319.952   70.244  329.712  126.718  315.622   84.398  151.044   34.369  153.557   22.693 -2.513519 41.18526 
1 1 1  -14  -12   24 o  117.518   21.173  186.400   59.849  147.612  117.215  200.078   69.606  103.057   36.457  120.713   23.936 -17.65640 43.61285 
1 1 1  -14  -12   25 o  164.912   18.614  359.974   75.313  301.353  135.717  386.058   90.532  139.081   37.998  169.050   21.964 -29.96907 43.88962 
1 1 1  -14  -12   26 o  179.928   34.977  494.757  151.497  494.757  151.497   0.0000   0.0000  179.928   34.977  ?   ?  0.000000 34.97721 
1 1 1  -14  -12   27 o   75.878   25.411   79.926   56.679   0.0000   0.0000   79.926   56.679  ?   ?    75.878   25.411 0.000000 25.41080 
1 1 1  -14  -12   28 o  138.365   21.287  268.041   71.194  143.700  139.435  311.888   82.801   95.919   38.389  148.037   23.157 -52.11772 44.83297 
1 1 1  -14  -12   29 o  116.849   22.144  196.703   62.249  177.643  146.612  200.895   68.754   99.605   39.527  116.487   24.416 -16.88236 46.46015 
1 1 1  -14  -12   30 o   82.468   25.278  104.136   56.988   0.0000   0.0000  104.136   56.988  ?   ?    82.468   25.278 0.000000 25.27799 
1 1 1  -14  -12   31 o   56.919   23.055   33.172   50.950   0.0000   0.0000   33.172   50.950  ?   ?    56.919   23.055 0.000000 23.05519 
1 1 1  -14  -12   32 o  104.939   25.939  176.770   67.587   0.0000   0.0000  176.770   67.587  ?   ?   104.939   25.939 0.000000 25.93938 
1 1 1  -14  -11    1 f  922.847   61.615 11672.27  1411.78   0.0000   0.0000 11672.27  1411.78  ?   ?   922.847   61.615 0.000000 61.61548 
1 1 1  -14  -11    2 o  313.807   13.872  1235.71  108.702  1082.34  189.682  1310.71  132.643  290.660   26.422  322.438   16.529 -31.77835 31.16590 
1 1 1  -14  -11    3 o  147.797   11.235  275.256   41.157  235.022   76.661  291.549   48.783  134.254   23.735  151.907   12.985 -17.65315 27.05420 
1 1 1  -14  -11    4 o  306.300   13.576  1177.77  103.843  1078.53  182.419  1225.34  126.306  290.112   25.437  311.642   16.287 -21.52994 30.20385 
1 1 1  -14  -11    5 o  464.990   17.095  2724.53  198.503  3105.37  347.527  2540.11  241.835  491.727   28.423  447.751   21.629 43.97504 35.71649 
1 1 1  -14  -11    6 o  219.365   11.412  605.113   62.296  700.903  113.837  564.164   74.430  234.610   19.610  211.375   14.183 23.23428 24.20173 
1 1 1  -14  -11    7 o  394.282   17.925  1964.10  176.487  2372.79  254.751  1586.93  244.732  430.840   23.770  350.356   28.211 80.48328 36.89051 
1 1 1  -14  -11    8 o  206.431   10.925  536.094   56.115  591.140  103.274  513.034   66.844  215.126   19.434  201.551   13.357 13.57588 23.58127 
1 1 1  -14  -11    9 o  238.740   12.485  718.396   74.172  637.897  133.497  754.343   89.209  221.912   24.499  244.222   14.696 -22.30951 28.56840 
1 1 1  -14  -11   10 o  276.228   12.539  959.730   86.494  1011.18  155.521  936.689  104.075  280.470   22.392  271.970   15.387 8.499512 27.16899 
1 1 1  -14  -11   11 o  136.603   11.817  236.340   39.913  197.725   78.913  249.614   46.268  121.460   26.741  140.142   13.384 -18.68170 29.90342 
1 1 1  -14  -11   12 o  322.009   14.489  1309.12  116.507  1125.27  206.195  1395.34  141.210  292.709   28.574  331.298   17.127 -38.58957 33.31350 
1 1 1  -14  -11   13 o  398.901   29.026  2089.37  287.149   0.0000   0.0000  2089.37  287.149  ?   ?   398.901   29.026 0.000000 29.02551 
1 1 1  -14  -11   14 o  294.517   17.031  1104.79  124.720  1069.31  180.499  1137.21  172.531  286.264   25.517  296.220   23.517 -9.956024 34.70159 
1 1 1  -14  -11   15 o  284.013   16.673  1027.44  117.729  1064.27  171.488  994.599  161.912  285.998   24.240  276.679   23.662 9.319336 33.87390 
1 1 1  -14  -11   16 o  331.830   18.129  1407.08  149.654  1441.20  216.786  1376.01  206.849  331.663   26.393  324.403   25.745 7.260468 36.87043 
1 1 1  -14  -11   17 o  288.496   17.071  1062.26  122.438  1074.54  178.944  1051.46  167.891  286.529   25.268  284.104   23.886 2.424286 34.77084 
1 1 1  -14  -11   18 o  292.750   25.919  1125.60  187.523  1125.60  187.523   0.0000   0.0000  292.750   25.919  ?   ?  0.000000 25.91917 
1 1 1  -14  -11   19 o  177.202   16.189  402.338   70.844  431.984  112.152  382.655   91.384  180.390   25.617  170.980   21.907 9.409607 33.70631 
1 1 1  -14  -11   20 o   67.726   23.007   55.847   46.471   55.416   84.591   56.034   55.615   77.630   30.260   70.025   25.076 7.605186 39.29993 
1 1 1  -14  -11   21 o  150.762   17.421  293.997   64.378  390.519  110.857  244.879   79.080  170.413   26.946  135.190   24.319 35.22296 36.29719 
1 1 1  -14  -11   22 o  266.254   17.926  912.484  118.495  771.361  179.520  1021.44  157.739  237.767   30.970  279.241   22.820 -41.47366 38.46976 
1 1 1  -14  -11   23 o  316.494   25.809  1333.93  202.207   0.0000   0.0000  1333.93  202.207  ?   ?   316.494   25.809 0.000000 25.80943 
1 1 1  -14  -11   24 o   59.383   22.905   32.977   48.073   7.1556  104.336   39.936   54.165   72.491   31.364   63.693   24.377 8.797966 39.72367 
1 1 1  -14  -11   25 f  126.837   20.892  216.069   63.868  137.282  122.149  245.714   74.927  101.046   37.024  134.439   23.154 -33.39283 43.66774 
1 1 1  -14  -11   26 o  314.305   19.416  1303.67  151.646  1293.41  233.753  1311.13  199.270  300.200   31.659  308.655   26.098 -8.455170 41.02909 
1 1 1  -14  -11   27 o  178.317   36.045  492.131  154.984  492.131  154.984   0.0000   0.0000  178.317   36.045  ?   ?  0.000000 36.04476 
1 1 1  -14  -11   28 o   92.910   23.807  124.111   55.485   71.437  124.035  137.288   62.038   83.688   35.127   97.081   25.325 -13.39368 43.30444 
1 1 1  -14  -11   29 o   60.333   23.076   41.382   48.517   9.5361  122.752   47.278   52.817   72.559   32.575   63.329   24.111 9.230206 40.52755 
1 1 1  -14  -11   30 o  112.087   22.711  182.520   61.390  151.454  142.483  189.603   68.029   95.015   38.531  112.794   24.825 -17.77840 45.83571 
1 1 1  -14  -11   31 o   65.892   24.584   57.894   54.292   0.0000   0.0000   57.894   54.292  ?   ?    65.892   24.584 0.000000 24.58438 
1 1 1  -14  -11   32 o  106.571   25.679  177.387   67.531   0.0000   0.0000  177.387   67.531  ?   ?   106.571   25.679 0.000000 25.67855 
1 1 1  -14  -11   33 o  145.982   24.345  327.468   85.621   0.0000   0.0000  327.468   85.621  ?   ?   145.982   24.345 0.000000 24.34454 
1 1 1  -14  -10    2 o  423.585   29.550  2296.64  310.611   0.0000   0.0000  2296.64  310.611  ?   ?   423.585   29.550 0.000000 29.54981 
1 1 1  -14  -10    3 o  843.089   30.257  9076.72  637.011  8873.88  1104.30  9177.87  779.835  811.880   54.789  843.115   37.040 -31.23505 66.13447 
1 1 1  -14  -10    4 o  242.037   12.311  736.247   74.161  666.090  131.534  768.944   89.795  228.182   23.416  247.042   14.621 -18.85997 27.60531 
1 1 1  -14  -10    5 o  371.325   15.395  1733.09  142.749  1684.41  249.928  1756.66  173.906  362.361   27.833  373.261   18.657 -10.89944 33.50748 
1 1 1  -14  -10    6 o  357.772   14.751  1608.77  131.790  1708.02  231.454  1561.15  160.317  365.423   25.524  351.347   18.336 14.07623 31.42764 
1 1 1  -14  -10    7 f  198.530   11.015  495.596   54.396  557.975   99.926  469.327   64.846  209.251   19.342  192.828   13.553 16.42354 23.61761 
1 1 1  -14  -10    8 o  265.823   15.320  892.588  101.264  912.655  147.924  874.891  138.917  267.081   22.386  261.724   21.443 5.357513 30.99886 
1 1 1  -14  -10    9 o  210.007   12.373  555.851   64.599  388.669  115.815  631.352   77.831  171.820   27.953  223.581   14.011 -51.76065 31.26805 
1 1 1  -14  -10   10 o  173.473   11.038  379.188   47.569  408.221   90.283  368.030   55.968  178.073   20.689  170.547   13.245 7.525787 24.56537 
1 1 1  -14  -10   11 o  470.321   17.745  2801.91  208.413  3042.91  365.437  2685.74  253.720  482.627   30.478  458.644   22.153 23.98322 37.67831 
1 1 1  -14  -10   12 o  233.740   12.371  689.185   71.950  636.844  130.876  711.857   86.134  221.520   24.045  237.091   14.620 -15.57051 28.14060 
1 1 1  -14  -10   13 o  265.119   13.096  885.476   86.700  766.853  155.893  938.596  104.321  242.268   26.184  272.071   15.418 -29.80244 30.38658 
1 1 1  -14  -10   14 o  253.262   22.255  828.344  139.322   0.0000   0.0000  828.344  139.322  ?   ?   253.262   22.255 0.000000 22.25509 
1 1 1  -14  -10   15 o   83.142   14.111   89.634   28.250   84.493   67.688   90.718   31.086   82.559   27.769   83.379   15.501 -0.8200836 31.80211 
1 1 1  -14  -10   16 o  119.200   17.115  183.965   49.485  285.516   80.268  121.706   62.849  147.485   22.508   95.249   25.790 52.23611 34.23009 
1 1 1  -14  -10   17 o   84.849   20.597   95.808   43.202  156.241   72.979   63.205   53.603  107.420   27.183   72.328   24.709 35.09195 36.73534 
1 1 1  -14  -10   18 o  166.949   15.943  356.664   65.659  396.256  102.955  329.521   85.244  173.384   24.458  158.631   22.121 14.75252 32.97781 
1 1 1  -14  -10   19 o  247.576   25.047  803.819  152.719  803.819  152.719   0.0000   0.0000  247.576   25.047  ?   ?  0.000000 25.04673 
1 1 1  -14  -10   20 o  385.562   20.326  1913.44  195.010  1871.31  281.531  1952.30  270.377  374.496   30.366  384.091   28.391 -9.594788 41.57046 
1 1 1  -14  -10   21 o  272.836   17.289  952.970  117.185  936.167  174.698  966.715  158.005  265.979   26.661  272.013   23.492 -6.033386 35.53391 
1 1 1  -14  -10   22 o   77.280   23.689   78.314   50.047  112.491   93.440   64.565   59.265   94.168   32.604   73.729   25.940 20.43883 41.66417 
1 1 1  -14  -10   23 o  149.087   18.318  289.063   66.764  333.690  115.673  266.769   81.756  155.245   30.924  141.150   24.057 14.09560 39.17952 
1 1 1  -14  -10   24 o  280.816   24.293  1044.04  168.674   0.0000   0.0000  1044.04  168.674  ?   ?   280.816   24.293 0.000000 24.29268 
1 1 1  -14  -10   25 o  191.818   17.894  478.416   84.722  465.770  143.591  485.170  104.933  181.176   32.952  191.081   22.417 -9.904404 39.85379 
1 1 1  -14  -10   26 o  265.378   24.184  948.181  158.506   0.0000   0.0000  948.181  158.506  ?   ?   265.378   24.184 0.000000 24.18383 
1 1 1  -14  -10   27 f   81.301   24.994   91.269   55.669   57.157  116.954  101.262   63.300   82.669   34.358   85.290   26.724 -2.621429 43.52775 
1 1 1  -14  -10   28 o  193.945   34.984  574.907  163.200  574.907  163.200   0.0000   0.0000  193.945   34.984  ?   ?  0.000000 34.98399 
1 1 1  -14  -10   29 o   91.389   24.059  120.511   55.660  293.695  127.807   79.977   61.831  133.228   37.064   76.255   26.515 56.97213 45.57138 
1 1 1  -14  -10   30 o   98.627   24.075  142.465   58.777  290.275  139.500  110.561   64.810  127.025   39.652   85.981   27.058 41.04342 48.00381 
1 1 1  -14  -10   31 o  174.287   19.747  421.890   84.426  337.027  164.448  452.263   98.381  128.961   43.283  177.773   22.678 -48.81172 48.86412 
1 1 1  -14  -10   32 o   50.146   21.703   7.1418   49.987   0.0000   0.0000   7.1418   49.987  ?   ?    50.146   21.703 0.000000 21.70299 
1 1 1  -14  -10   33 f   64.047   24.627   53.536   55.440   0.0000   0.0000   53.536   55.440  ?   ?    64.047   24.627 0.000000 24.62678 
1 1 1  -14  -10   34 o   90.263   26.853  134.240   65.000   0.0000   0.0000  134.240   65.000  ?   ?    90.263   26.853 0.000000 26.85272 
1 1 1  -14   -9    1 o  309.014   11.968  1195.81   92.353  1271.79  130.902  1120.51  130.315  317.828   16.550  298.108   17.583 19.72018 24.14713 
1 1 1  -14   -9    2 o  276.165   22.639  968.987  154.757   0.0000   0.0000  968.987  154.757  ?   ?   276.165   22.639 0.000000 22.63949 
1 1 1  -14   -9    3 o  780.784   27.919  7745.72  544.351  8084.29  945.484  7577.85  665.764  782.769   48.610  768.672   34.684 14.09674 59.71487 
1 1 1  -14   -9    4 o  131.474   11.070  217.981   36.006  219.288   68.195  217.476   42.397  130.093   21.760  131.058   13.131 -0.9653625 25.41515 
1 1 1  -14   -9    5 o  301.117   13.490  1137.36  101.436  1088.64  178.295  1160.68  123.342  292.029   24.680  303.431   16.338 -11.40247 29.59807 
1 1 1  -14   -9    6 o  460.043   17.005  2663.42  195.353  3003.44  341.623  2498.22  238.129  484.375   28.367  444.516   21.452 39.85959 35.56523 
1 1 1  -14   -9    7 o  113.939   11.823  164.493   33.150  167.668   64.298  163.343   38.688  112.928   23.562  113.208   13.982 -0.2794037 27.39880 
1 1 1  -14   -9    8 o  478.185   18.503  2886.51  220.944  2855.76  384.991  2901.61  269.796  469.009   33.084  478.155   22.595 -9.146881 40.06330 
1 1 1  -14   -9    9 o  237.004   15.505  710.218   91.261  506.473  132.331  895.010  126.026  197.008   27.661  265.365   19.147 -68.35623 33.64080 
1 1 1  -14   -9   10 o  204.394   11.549  525.944   58.705  588.896  107.621  499.278   70.044  214.561   20.329  198.702   14.210 15.85950 24.80277 
1 1 1  -14   -9   11 o  496.168   18.450  3117.67  228.597  3370.55  399.891  2994.92  278.608  508.131   31.672  484.403   23.032 23.72794 39.16147 
1 1 1  -14   -9   12 o  337.602   14.756  1437.15  124.401  1315.60  219.286  1494.83  151.062  317.944   27.901  343.142   17.689 -25.19818 33.03610 
1 1 1  -14   -9   13 o  426.530   16.532  2301.75  176.086  2482.02  309.949  2215.84  213.969  436.428   28.598  417.006   20.547 19.42224 35.21423 
1 1 1  -14   -9   14 o  195.528   10.789  481.651   52.475  614.940  101.570  433.120   61.289  219.194   18.736  184.932   13.361 34.26224 23.01232 
1 1 1  -14   -9   15 o  247.868   22.156  793.156  135.693   0.0000   0.0000  793.156  135.693  ?   ?   247.868   22.156 0.000000 22.15583 
1 1 1  -14   -9   16 o  139.701   11.376  247.046   39.341  322.280   83.822  225.792   44.552  157.148   21.960  133.114   13.594 24.03409 25.82679 
1 1 1  -14   -9   17 o   72.640   15.608   69.314   27.468   4.7879   67.750   82.008   30.049   60.435   25.693   79.122   15.762 -18.68711 30.14252 
1 1 1  -14   -9   18 o  251.882   13.048  802.404   81.792  807.958  152.329  800.153   96.954  248.671   24.864  250.857   15.554 -2.185699 29.32786 
1 1 1  -14   -9   19 o  340.268   18.453  1480.37  156.208  1533.05  226.474  1432.56  215.739  341.964   26.734  330.735   26.340 11.22827 37.52956 
1 1 1  -14   -9   20 o  118.387   30.662  192.356   91.372  192.356   91.372   0.0000   0.0000  118.387   30.662  ?   ?  0.000000 30.66246 
1 1 1  -14   -9   21 o  295.279   17.582  1115.02  129.059  1152.10  190.962  1083.83  175.101  296.048   26.098  287.890   24.592 8.158234 35.85890 
1 1 1  -14   -9   22 o  247.887   17.174  786.790  105.655  738.422  159.563  824.553  140.992  235.534   27.655  251.512   22.693 -15.97816 35.77370 
1 1 1  -14   -9   23 o  295.033   17.701  1116.20  129.807  1228.99  196.011  1028.10  173.240  305.131   25.971  279.423   25.095 25.70737 36.11482 
1 1 1  -14   -9   24 o  250.272   17.453  805.206  108.395  817.264  168.721  796.731  141.447  246.833   27.860  246.236   23.280 0.5969086 36.30583 
1 1 1  -14   -9   25 o  135.631   24.338  248.325   79.402   0.0000   0.0000  248.325   79.402  ?   ?   135.631   24.338 0.000000 24.33780 
1 1 1  -14   -9   26 o   80.560   33.211   47.039  108.029   47.039  108.029   0.0000   0.0000   80.560   33.211  ?   ?  0.000000 33.21109 
1 1 1  -14   -9   27 o  228.593   18.023  682.501  102.049  643.175  166.240  706.281  129.272  212.011   32.431  229.572   22.853 -17.56058 39.67396 
1 1 1  -14   -9   28 o   67.007   24.339   53.711   52.624 -63.0469  118.956   82.121   58.678   65.669   30.444   78.040   25.847 -12.37126 39.93559 
1 1 1  -14   -9   29 o  140.280   38.328  319.808  138.080  319.808  138.080   0.0000   0.0000  140.280   38.328  ?   ?  0.000000 38.32832 
1 1 1  -14   -9   30 o  140.391   20.821  271.985   70.783  239.955  140.006  282.983   82.040  117.768   39.935  141.042   24.162 -23.27361 46.67576 
1 1 1  -14   -9   31 o   63.548   23.797   49.434   50.963  128.890  134.323   36.073   55.081   92.654   37.468   60.416   24.147 32.23806 44.57458 
1 1 1  -14   -9   32 o  120.368   22.686  209.782   65.689  219.102  152.024  207.642   72.840  106.981   40.864  117.621   25.531 -10.64021 48.18452 
1 1 1  -14   -9   33 o   99.043   26.733  153.451   67.657   0.0000   0.0000  153.451   67.657  ?   ?    99.043   26.733 0.000000 26.73326 
1 1 1  -14   -9   34 o   80.326   26.751  101.879   62.825   0.0000   0.0000  101.879   62.825  ?   ?    80.326   26.751 0.000000 26.75096 
1 1 1  -14   -9   35 o   56.322   23.607   28.696   55.889   0.0000   0.0000   28.696   55.889  ?   ?    56.322   23.607 0.000000 23.60689 
1 1 1  -14   -8    1 o  205.295   8.9781  527.049   46.027  468.929   64.718  586.534   65.474  192.989   13.514  216.089   12.183 -23.10088 18.19511 
1 1 1  -14   -8    2 o  646.460   23.456  5275.17  378.652  5609.45  464.208  4610.56  654.557  665.117   27.949  594.646   44.400 70.47046 52.46421 
1 1 1  -14   -8    3 o  452.532   30.993  2619.47  348.124   0.0000   0.0000  2619.47  348.124  ?   ?   452.532   30.993 0.000000 30.99256 
1 1 1  -14   -8    4 o  715.180   25.863  6479.88  461.890  6660.07  801.917  6390.42  565.029  713.280   45.256  707.529   31.980 5.750977 55.41473 
1 1 1  -14   -8    5 o  511.902   18.211  3297.09  232.799  3799.61  406.305  3051.48  284.046  545.213   29.957  491.311   23.152 53.90277 37.86084 
1 1 1  -14   -8    6 o  377.603   14.519  1789.63  136.904  2035.77  240.485  1671.61  166.522  400.189   24.178  363.915   18.384 36.27390 30.37302 
1 1 1  -14   -8    7 o  453.447   17.126  2587.49  193.925  2798.79  338.983  2484.70  236.436  467.285   29.196  443.389   21.354 23.89597 36.17202 
1 1 1  -14   -8    8 o  333.849   14.246  1399.83  118.769  1450.80  208.926  1375.50  144.364  336.946   25.009  329.972   17.583 6.973236 30.57135 
1 1 1  -14   -8    9 o  383.461   15.873  1850.66  151.994  1675.55  264.983  1936.53  185.555  360.179   29.727  391.589   18.975 -31.40958 35.26668 
1 1 1  -14   -8   10 o  134.346   14.127  229.373   46.683  159.259   73.548  276.678   60.412  109.435   27.064  147.223   16.729 -37.78873 31.81725 
1 1 1  -14   -8   11 o  260.043   12.657  849.488   82.193  822.378  146.741  861.882   99.218  252.970   23.498  261.135   15.282 -8.165268 28.02969 
1 1 1  -14   -8   12 o  600.376   21.899  4590.42  328.325  4955.26  572.514  4411.64  400.777  611.197   37.695  585.325   27.419 25.87164 46.61217 
1 1 1  -14   -8   13 o  361.556   14.802  1648.32  133.644  1725.47  236.215  1612.00  162.080  365.347   26.062  356.190   18.284 9.157684 31.83585 
1 1 1  -14   -8   14 o  176.973   11.783  395.379   51.774  363.398   98.099  407.726   60.955  166.654   24.286  179.384   13.711 -12.72981 27.88909 
1 1 1  -14   -8   15 o  439.244   17.629  2447.17  193.364  2273.74  338.658  2531.06  235.530  414.280   33.009  445.168   21.187 -30.88748 39.22383 
1 1 1  -14   -8   16 o  324.543   25.322  1367.45  203.594   0.0000   0.0000  1367.45  203.594  ?   ?   324.543   25.322 0.000000 25.32171 
1 1 1  -14   -8   17 o  196.975   11.819  489.917   57.866  506.572  110.546  483.632   67.913  197.377   22.851  195.258   14.022 2.119141 26.80991 
1 1 1  -14   -8   18 o  228.227   12.856  658.590   72.968  570.741  135.642  694.366   86.560  208.066   26.724  233.870   14.899 -25.80486 30.59653 
1 1 1  -14   -8   19 o  225.144   12.488  640.700   69.936  646.188  133.059  638.606   82.206  222.411   24.355  224.235   14.763 -1.823746 28.48064 
1 1 1  -14   -8   20 o  140.440   13.024  250.892   45.155  170.109   94.910  274.527   51.338  111.710   32.235  146.716   14.189 -35.00591 35.21992 
1 1 1  -14   -8   21 o  220.445   14.998  618.184   82.071  707.706  133.285  563.513  104.159  233.073   23.209  208.835   20.226 24.23784 30.78559 
1 1 1  -14   -8   22 o  488.388   23.976  3092.42  292.412  3080.08  418.953  3104.14  408.317  476.069   35.496  479.154   34.353 -3.085205 49.39718 
1 1 1  -14   -8   23 o  387.919   20.475  1939.18  197.641  1985.25  288.103  1898.22  271.636  385.647   30.156  377.970   29.000 7.676605 41.83810 
1 1 1  -14   -8   24 o   69.387   24.227   57.140   51.648  149.335   99.129   22.787   60.510  105.046   33.508   61.542   25.053 43.50378 41.83825 
1 1 1  -14   -8   25 o  222.187   22.750  648.472  124.445   0.0000   0.0000  648.472  124.445  ?   ?   222.187   22.750 0.000000 22.74959 
1 1 1  -14   -8   26 o  312.429   25.889  1302.02  200.161   0.0000   0.0000  1302.02  200.161  ?   ?   312.429   25.889 0.000000 25.88853 
1 1 1  -14   -8   27 o  190.055   18.029  470.622   84.544  508.941  143.783  450.373  104.521  190.259   31.356  183.360   23.357 6.898911 39.09904 
1 1 1  -14   -8   28 o  245.098   17.907  784.432  108.843  837.420  176.048  751.644  138.482  244.633   29.407  236.000   23.824 8.633194 37.84678 
1 1 1  -14   -8   29 o  169.789   19.476  384.569   81.083  260.995  146.898  438.715   97.238  127.032   40.819  179.881   22.113 -52.84940 46.42379 
1 1 1  -14   -8   30 o  123.837   39.437  254.640  137.354  254.640  137.354   0.0000   0.0000  123.837   39.437  ?   ?  0.000000 39.43696 
1 1 1  -14   -8   31 o   73.180   24.716   73.990   53.628  126.006  129.630   63.249   58.906   93.542   37.153   70.156   25.710 23.38608 45.18098 
1 1 1  -14   -8   32 o   79.512   25.587   92.521   57.703 -19.9301  136.783  116.866   63.643   71.607   33.002   88.148   26.650 -16.54008 42.41866 
1 1 1  -14   -8   33 o  173.014   23.791  434.121  100.067   0.0000   0.0000  434.121  100.067  ?   ?   173.014   23.791 0.000000 23.79058 
1 1 1  -14   -8   34 o  212.123   24.424  664.668  127.015   0.0000   0.0000  664.668  127.015  ?   ?   212.123   24.424 0.000000 24.42417 
1 1 1  -14   -8   35 f  122.813   26.318  236.499   78.287   0.0000   0.0000  236.499   78.287  ?   ?   122.813   26.318 0.000000 26.31810 
1 1 1  -14   -8   36 o   80.937   27.081  108.193   64.374   0.0000   0.0000  108.193   64.374  ?   ?    80.937   27.081 0.000000 27.08105 
1 1 1  -14   -7    1 o  479.690   15.579  2885.64  186.611  2889.86  263.884  2881.41  263.932  478.991   22.061  478.283   22.098 0.7081909 31.22561 
1 1 1  -14   -7    2 o  354.130   11.635  1569.80  102.893  1557.44  145.580  1582.12  145.446  352.280   16.549  355.077   16.403 -2.796021 23.30071 
1 1 1  -14   -7    3 o  301.747   16.847  1146.62  126.436  1424.39  177.403  859.872  180.245  335.630   21.277  258.948   28.336 76.68155 35.43502 
1 1 1  -14   -7    4 o  553.545   20.319  3857.99  280.874  3557.97  484.208  4010.13  344.813  525.282   37.153  563.286   24.513 -38.00372 44.51165 
1 1 1  -14   -7    5 o  531.324   19.217  3552.80  254.977  4001.30  444.631  3333.04  311.237  559.135   31.977  513.427   24.275 45.70770 40.14742 
1 1 1  -14   -7    6 o  128.338   10.896  207.685   34.589  243.142   67.289  194.951   40.324  137.484   20.202  124.012   13.225 13.47259 24.14581 
1 1 1  -14   -7    7 o  118.941   11.953  179.027   35.023   60.852   65.812  225.718   41.368   75.472   27.249  133.613   12.545 -58.14177 29.99774 
1 1 1  -14   -7    8 o  687.512   25.147  6001.09  431.741  5945.89  749.264  6028.52  528.257  670.986   44.977  686.234   30.826 -15.24786 54.52712 
1 1 1  -14   -7    9 o  511.056   19.557  3297.16  249.592  3081.67  433.792  3403.80  305.165  486.599   35.954  517.965   23.593 -31.36548 43.00360 
1 1 1  -14   -7   10 o  544.277   24.448  3768.93  332.282  4100.75  473.388  3446.67  466.522  562.031   33.888  513.450   36.625 48.58112 49.89780 
1 1 1  -14   -7   11 o  291.258   12.820  1065.26   93.246  1143.29  164.749  1028.48  113.106  299.258   22.204  285.310   15.939 13.94757 27.33270 
1 1 1  -14   -7   12 o  328.543   13.956  1357.77  114.502  1457.14  202.544  1311.10  138.811  337.046   24.226  321.751   17.340 15.29550 29.79268 
1 1 1  -14   -7   13 o  503.021   19.294  3208.34  242.360  3153.29  422.779  3235.28  295.785  489.272   34.830  503.255   23.536 -13.98376 42.03697 
1 1 1  -14   -7   14 o  275.637   12.696  955.513   87.390  978.290  156.778  945.246  105.260  275.767   22.975  273.247   15.490 2.519562 27.70924 
1 1 1  -14   -7   15 o  206.025   12.157  535.568   62.267  469.441  114.489  563.344   74.201  189.667   24.764  210.932   14.169 -21.26532 28.53075 
1 1 1  -14   -7   16 o  363.083   14.646  1663.90  132.796  1790.08  236.640  1605.89  160.441  371.699   25.651  355.240   18.147 16.45932 31.42126 
1 1 1  -14   -7   17 o  399.609   29.176  2093.18  289.133   0.0000   0.0000  2093.18  289.133  ?   ?   399.609   29.176 0.000000 29.17590 
1 1 1  -14   -7   18 o  263.824   13.273  879.640   87.163  806.628  158.706  911.174  104.300  248.400   25.969  267.897   15.659 -19.49748 30.32503 
1 1 1  -14   -7   19 o  327.659   14.742  1357.13  120.622  1260.20  215.871  1401.13  145.447  309.621   28.230  331.615   17.627 -21.99411 33.28159 
1 1 1  -14   -7   20 o  318.544   13.609  1280.75  108.257  1441.80  198.930  1212.99  129.037  333.410   24.055  308.699   16.802 24.71063 29.34173 
1 1 1  -14   -7   21 o  284.718   12.290  1021.45   87.377  1351.49  166.816  896.660  102.575  324.194   20.714  265.607   15.533 58.58707 25.89051 
1 1 1  -14   -7   22 o  370.549   16.654  1744.43  154.107  2348.14  233.751  1280.30  204.958  426.665   22.014  312.378   26.525 114.2870 34.47038 
1 1 1  -14   -7   23 f  209.496   12.744  555.862   66.354  522.967  134.699  566.403   76.247  197.926   28.037  211.029   14.558 -13.10332 31.59115 
1 1 1  -14   -7   24 o  257.775   13.204  841.906   84.711  863.200  168.645  834.720   97.967  255.379   26.847  256.004   15.396 -0.6242828 30.94786 
1 1 1  -14   -7   25 o  270.872   27.816  977.799  185.481  977.799  185.481   0.0000   0.0000  270.872   27.816  ?   ?  0.000000 27.81602 
1 1 1  -14   -7   26 o  182.494   18.302  431.366   82.283  333.340  135.520  488.605  103.557  152.605   36.122  192.905   21.885 -40.30014 42.23465 
1 1 1  -14   -7   27 o  222.389   18.462  641.545  101.603  553.484  167.558  692.752  127.774  197.068   35.347  229.055   22.635 -31.98712 41.97322 
1 1 1  -14   -7   28 o  194.777   18.290  495.242   87.921  501.555  149.659  491.915  108.646  187.316   33.210  191.669   23.169 -4.352676 40.49389 
1 1 1  -14   -7   29 o  191.209   18.007  479.663   84.969  664.759  153.025  397.158  102.166  217.818   28.843  170.255   24.755 47.56314 38.00937 
1 1 1  -14   -7   30 o  175.209   18.663  407.875   80.401  628.898  152.520  322.820   94.615  208.897   30.107  151.532   25.936 57.36435 39.73825 
1 1 1  -14   -7   31 o   97.729   37.761  138.739  130.834  138.739  130.834   0.0000   0.0000   97.729   37.761  ?   ?  0.000000 37.76142 
1 1 1  -14   -7   32 o  230.744   18.847  718.874  107.652  811.762  188.632  674.007  131.099  227.248   34.309  217.904   24.518 9.343704 42.16899 
1 1 1  -14   -7   33 o   89.543   25.766  120.114   60.716   25.774  144.810  140.236   66.878   78.239   35.231   96.109   26.837 -17.86951 44.28787 
1 1 1  -14   -7   34 o   90.363   27.870  127.189   69.154   0.0000   0.0000  127.189   69.154  ?   ?    90.363   27.870 0.000000 27.87045 
1 1 1  -14   -7   35 o  173.687   24.171  446.289  101.996   0.0000   0.0000  446.289  101.996  ?   ?   173.687   24.171 0.000000 24.17122 
1 1 1  -14   -7   36 o   55.432   22.997   27.112   52.259   0.0000   0.0000   27.112   52.259  ?   ?    55.432   22.997 0.000000 22.99664 
1 1 1  -14   -7   37 o  212.330   24.765  699.768  128.843   0.0000   0.0000  699.768  128.843  ?   ?   212.330   24.765 0.000000 24.76485 
1 1 1  -14   -6    1 o  493.184   16.206  3050.68  199.593  3075.90  282.285  3025.47  282.248  494.117   22.877  490.013   23.066 4.103577 32.48719 
1 1 1  -14   -6    2 o  455.783   15.003  2604.13  170.765  2604.03  241.536  2604.24  241.460  454.865   21.264  454.885   21.257 -0.1962280E-01 30.06670 
1 1 1  -14   -6    3 o  147.172   13.353  273.533   48.540  312.274   65.066  224.914   72.890  156.845   16.878  131.716   22.997 25.12885 28.52633 
1 1 1  -14   -6    4 o  347.718   18.116  1523.16  156.763  1691.03  220.024  1350.09  223.406  365.188   24.265  325.310   27.767 39.87836 36.87538 
1 1 1  -14   -6    5 o  263.472   11.087  868.883   72.943  860.530  103.215  877.218  103.100  261.388   15.888  263.943   15.713 -2.554962 22.34590 
1 1 1  -14   -6    6 o  359.811   12.987  1622.29  116.690  1704.09  165.338  1541.10  164.713  368.167   17.984  349.486   18.944 18.68060 26.12063 
1 1 1  -14   -6    7 o  296.226   12.855  1099.77   95.092  1210.54  168.012  1047.56  115.344  308.932   21.921  288.363   16.082 20.56888 27.18728 
1 1 1  -14   -6    8 o  564.287   21.116  4019.33  297.557  3969.75  516.991  4043.89  363.868  553.160   37.651  564.499   25.812 -11.33899 45.64928 
1 1 1  -14   -6    9 o  558.324   20.875  3937.40  291.040  3999.80  506.142  3906.57  355.733  555.014   36.727  554.498   25.691 0.5159302 44.82011 
1 1 1  -14   -6   10 o  244.190   11.541  747.403   70.373  839.779  126.533  706.032   84.678  257.129   19.860  236.652   14.397 20.47731 24.52964 
1 1 1  -14   -6   11 o  362.168   17.282  1653.38  156.299  1929.80  225.898  1399.51  216.483  389.095   23.357  330.121   26.483 58.97394 35.31182 
1 1 1  -14   -6   12 o  462.145   18.210  2697.83  210.159  2470.57  365.727  2809.86  256.789  434.940   33.941  470.450   21.858 -35.51010 40.37072 
1 1 1  -14   -6   13 o  356.617   14.737  1601.20  131.235  1664.53  231.080  1571.05  159.443  359.639   25.904  352.026   18.200 7.613373 31.65813 
1 1 1  -14   -6   14 o  265.491   12.635  885.982   83.770  926.014  150.315  867.948  100.891  268.569   22.623  261.893   15.496 6.676514 27.42147 
1 1 1  -14   -6   15 o  280.410   13.223  989.534   92.589  1014.83  165.794  978.068  111.616  280.556   23.892  277.791   16.160 2.765015 28.84393 
1 1 1  -14   -6   16 o  305.193   13.303  1172.88  101.385  1226.72  181.763  1148.56  122.154  308.436   23.782  300.949   16.315 7.487671 28.84057 
1 1 1  -14   -6   17 o  330.157   25.618  1413.59  209.555   0.0000   0.0000  1413.59  209.555  ?   ?   330.157   25.618 0.000000 25.61777 
1 1 1  -14   -6   18 o  326.952   14.651  1349.81  119.616  1298.57  214.765  1372.84  144.022  315.192   27.563  328.464   17.623 -13.27142 32.71521 
1 1 1  -14   -6   19 o  281.062   13.633  996.357   95.682  925.158  173.724  1027.36  114.636  265.983   26.508  284.370   16.210 -18.38715 31.07188 
1 1 1  -14   -6   20 o  205.784   12.073  534.882   61.768  500.948  118.616  547.508   72.352  195.521   24.856  207.794   14.025 -12.27347 28.53979 
1 1 1  -14   -6   21 o  375.503   15.521  1785.19  145.539  1831.42  261.063  1764.35  175.309  373.538   28.195  371.594   18.955 1.943787 33.97443 
1 1 1  -14   -6   22 o  142.487   12.345  257.683   43.493  270.341   97.565  254.543   48.588  141.443   28.605  141.293   13.953 0.1508789 31.82689 
1 1 1  -14   -6   23 f  117.455   13.155  176.218   37.921  234.001   95.571  165.422   41.312  130.893   29.895  113.372   14.957 17.52089 33.42766 
1 1 1  -14   -6   24 o  232.331   13.332  684.021   77.023  587.566  157.034  714.576   88.384  208.540   31.106  237.019   15.010 -28.47969 34.53838 
1 1 1  -14   -6   25 o  192.393   12.634  469.278   60.363  503.510  130.360  459.935   68.104  194.042   27.688  190.014   14.461 4.028702 31.23713 
1 1 1  -14   -6   26 o  132.210   13.665  223.610   44.464  274.600  116.713  214.953   48.090  139.772   33.808  129.235   15.191 10.53749 37.06382 
1 1 1  -14   -6   27 o  307.018   15.193  1200.20  116.484  1018.22  225.853  1266.15  135.962  270.875   34.148  313.946   17.411 -43.07098 38.33042 
1 1 1  -14   -6   28 f  168.719   13.961  364.615   58.292  142.571  140.184  411.037   64.097  105.661   39.488  179.045   14.459 -73.38387 42.05178 
1 1 1  -14   -6   29 o  130.275   13.779  218.833   44.145  341.131  124.922  201.381   47.190  153.228   33.575  124.381   15.531 28.84740 36.99328 
1 1 1  -14   -6   30 o  163.029   12.910  341.431   52.130  353.004  139.095  339.540   56.228  151.902   37.009  162.170   14.023 -10.26810 39.57692 
1 1 1  -14   -6   31 o  207.985   12.991  556.901   67.132  607.804  162.442  546.416   73.722  201.763   33.410  205.268   14.475 -3.505112 36.41081 
1 1 1  -14   -6   32 o   86.442   26.592  108.228   63.003   53.498  133.167  124.012   71.512   82.693   35.606   91.702   28.351 -9.009506 45.51506 
1 1 1  -14   -6   33 o   68.890   25.188   61.306   56.492  150.751  142.650   44.669   61.521   98.151   38.977   64.893   25.651 33.25798 46.66034 
1 1 1  -14   -6   34 o  196.244   19.903  531.238   96.188  460.580  185.683  557.154  112.452  152.016   45.422  197.767   23.211 -45.75111 51.00935 
1 1 1  -14   -6   35 o  262.650   25.925  1022.78  167.820   0.0000   0.0000  1022.78  167.820  ?   ?   262.650   25.925 0.000000 25.92501 
1 1 1  -14   -6   36 o  110.349   25.814  188.035   69.866   0.0000   0.0000  188.035   69.866  ?   ?   110.349   25.814 0.000000 25.81355 
1 1 1  -14   -6   37 o  114.208   26.163  206.531   73.014   0.0000   0.0000  206.531   73.014  ?   ?   114.208   26.163 0.000000 26.16280 
1 1 1  -14   -6   38 o  145.086   25.258  332.673   88.188   0.0000   0.0000  332.673   88.188  ?   ?   145.086   25.258 0.000000 25.25836 
1 1 1  -14   -5    1 o  293.934   10.331  1080.66   75.830  1004.45  106.846  1158.01  107.639  282.685   15.191  304.033   14.177 -21.34805 20.77925 
1 1 1  -14   -5    2 o  257.153   10.635  827.248   68.296  832.638   96.573  821.856   96.597  257.302   15.096  255.611   15.202 1.690369 21.42411 
1 1 1  -14   -5    3 o  464.308   15.492  2703.04  179.625  2796.73  254.171  2609.56  253.885  471.358   21.594  455.183   22.336 16.17487 31.06717 
1 1 1  -14   -5    4 o  282.870   16.089  1006.98  113.182  1157.28  158.309  849.823  161.878  302.506   21.089  258.167   25.440 44.33896 33.04421 
1 1 1  -14   -5    5 o  728.287   22.471  6686.21  408.674  6737.48  578.091  6635.00  577.815  727.602   31.816  721.946   32.050 5.655701 45.16096 
1 1 1  -14   -5    6 o  297.444   11.169  1107.44   82.964  1086.04  117.260  1128.89  117.396  293.734   16.047  299.531   15.750 -5.797333 22.48502 
1 1 1  -14   -5    7 o  399.221   13.667  1997.93  136.248  1993.11  192.724  2002.74  192.643  397.936   19.394  398.906   19.339 -0.9698792 27.38854 
1 1 1  -14   -5    8 o  410.909   16.414  2121.26  168.429  2037.22  293.289  2162.61  205.738  398.884   29.656  414.298   19.886 -15.41428 35.70633 
1 1 1  -14   -5    9 o  374.710   14.344  1762.08  134.221  2005.09  236.006  1645.90  163.180  397.236   23.903  361.607   18.071 35.62851 29.96512 
1 1 1  -14   -5   10 o  128.615   11.426  208.887   36.316  175.266   69.094  221.721   42.689  115.398   24.721  132.314   13.092 -16.91566 27.97353 
1 1 1  -14   -5   11 o  181.900   10.545  415.865   47.692  548.149   88.486  361.703   56.620  207.927   17.196  169.215   13.512 38.71152 21.86953 
1 1 1  -14   -5   12 o  210.273   14.426  558.362   75.292  513.342  111.943  595.553  101.745  199.843   22.842  216.321   19.028 -16.47878 29.72927 
1 1 1  -14   -5   13 o  515.519   18.518  3359.01  238.388  3773.45  416.600  3157.24  290.682  539.706   31.042  498.008   23.374 41.69846 38.85778 
1 1 1  -14   -5   14 o  217.392   12.332  595.464   66.671  453.716  119.716  659.192   80.270  186.390   26.464  228.450   14.140 -42.06059 30.00442 
1 1 1  -14   -5   15 o  337.180   14.799  1432.76  124.611  1277.57  219.126  1506.93  151.492  313.436   28.301  344.692   17.659 -31.25574 33.35853 
1 1 1  -14   -5   16 o  169.569   12.110  363.218   50.942  245.452   94.338  411.694   60.526  135.296   28.806  180.336   13.539 -45.03932 31.82881 
1 1 1  -14   -5   17 o  127.309   11.715  205.393   36.827  222.939   75.827  199.977   42.129  129.847   24.278  125.266   13.691 4.581535 27.87197 
1 1 1  -14   -5   18 o  133.049   22.549  232.449   72.243   0.0000   0.0000  232.449   72.243  ?   ?   133.049   22.549 0.000000 22.54899 
1 1 1  -14   -5   19 o  283.677   13.076  1013.79   92.628  1070.32  168.607  989.353  110.854  287.696   23.679  279.193   15.966 8.503082 28.55912 
1 1 1  -14   -5   20 o  196.917   12.514  490.198   61.219  441.703  116.548  508.676   71.943  183.046   26.249  200.197   14.489 -17.15111 29.98184 
1 1 1  -14   -5   21 o  195.850   12.404  484.932   60.350  461.789  117.592  493.208   70.317  187.291   25.830  197.103   14.385 -9.811722 29.56573 
1 1 1  -14   -5   22 o  210.473   12.757  560.293   66.731  478.439  128.216  590.703   78.150  189.805   27.882  215.711   14.594 -25.90598 31.47044 
1 1 1  -14   -5   23 o   95.251   19.445  119.836   44.688   0.0000   0.0000  119.836   44.688  ?   ?    95.251   19.445 0.000000 19.44546 
1 1 1  -14   -5   24 o  219.327   26.207  634.028  140.691  634.028  140.691   0.0000   0.0000  219.327   26.207  ?   ?  0.000000 26.20654 
1 1 1  -14   -5   25 o  404.898   16.470  2083.61  166.526  2144.47  301.353  2056.86  199.803  401.526   30.277  400.636   19.971 0.8896484 36.27069 
1 1 1  -14   -5   26 f  224.416   12.236  637.309   68.315  814.751  144.585  586.312   77.512  249.657   23.467  214.624   14.548 35.03302 27.61064 
1 1 1  -14   -5   27 o  346.860   15.362  1529.88  133.064  1520.06  248.946  1533.80  157.441  336.282   29.959  345.549   18.311 -9.267090 35.11139 
1 1 1  -14   -5   28 o  126.132   26.322  217.538   80.229   0.0000   0.0000  217.538   80.229  ?   ?   126.132   26.322 0.000000 26.32230 
1 1 1  -14   -5   29 o  221.541   13.384  626.335   73.696  529.352  161.112  651.996   82.874  192.166   34.858  225.515   14.798 -33.34947 37.86860 
1 1 1  -14   -5   30 o  158.955   13.161  324.197   51.770  369.762  137.110  316.621   55.908  157.910   35.619  156.643   14.456 1.267624 38.44021 
1 1 1  -14   -5   31 o  116.072   14.413  175.640   40.879  133.703  128.603  180.354   43.115   99.297   37.667  117.422   15.050 -18.12511 40.56218 
1 1 1  -14   -5   32 o  152.610   12.841  300.879   48.483  526.123  146.455  273.156   51.380  187.795   32.401  144.734   14.407 43.06096 35.45943 
1 1 1  -14   -5   33 o   83.956   16.629   95.607   33.631  131.550  138.775   93.364   34.665   95.965   38.337   82.687   17.342 13.27766 42.07692 
1 1 1  -14   -5   34 o  278.048   14.368  1012.33   99.422  1121.99  220.134  984.222  111.435  266.965   33.776  272.181   16.473 -5.216705 37.57890 
1 1 1  -14   -5   35 o  114.828   14.576  175.590   40.854  113.720  157.288  180.066   42.306   90.934   38.915  116.124   14.935 -25.18946 41.68269 
1 1 1  -14   -5   36 o  117.665   25.763  209.706   73.602   0.0000   0.0000  209.706   73.602  ?   ?   117.665   25.763 0.000000 25.76304 
1 1 1  -14   -5   37 o  134.144   25.611  275.120   82.662   0.0000   0.0000  275.120   82.662  ?   ?   134.144   25.611 0.000000 25.61056 
1 1 1  -14   -5   38 o   67.316   25.526   64.579   59.044   0.0000   0.0000   64.579   59.044  ?   ?    67.316   25.526 0.000000 25.52551 
1 1 1  -14   -4    1 o  126.978   9.2734  202.667   29.201  203.053   40.991  202.269   41.610  126.671   13.150  126.393   13.387 0.2783508 18.76546 
1 1 1  -14   -4    2 o  522.797   16.805  3428.52  219.398  3428.11  310.149  3428.93  310.401  521.549   23.814  521.607   23.830 -0.5877686E-01 33.68931 
1 1 1  -14   -4    3 o  538.823   17.303  3643.39  232.814  3556.13  329.180  3730.72  329.319  530.917   24.829  543.924   24.245 -13.00696 34.70312 
1 1 1  -14   -4    4 o  401.805   19.367  2029.06  194.326  1957.52  272.467  2103.11  277.232  392.313   27.996  406.849   27.448 -14.53571 39.20631 
1 1 1  -14   -4    5 o  568.572   25.895  4085.86  367.666  4667.09  519.828  3504.05  520.087  603.877   34.616  520.654   40.316 83.22235 53.13783 
1 1 1  -14   -4    6 o  652.714   20.410  5362.01  332.678  5420.06  470.536  5303.99  470.421  653.663   28.826  646.516   29.138 7.147217 40.98737 
1 1 1  -14   -4    7 o  561.042   18.127  3956.46  253.960  3993.89  359.182  3919.04  359.125  561.837   25.601  556.478   25.843 5.359009 36.37684 
1 1 1  -14   -4    8 o  205.293   9.8201  527.327   50.343  520.344   71.135  534.334   71.258  203.221   14.104  205.969   13.936 -2.747635 19.82810 
1 1 1  -14   -4    9 o  284.631   11.031  1014.43   78.404  1014.32  110.890  1014.54  110.869  283.775   15.710  283.806   15.705 -0.3173828E-01 22.21328 
1 1 1  -14   -4   10 o  196.919   11.678  487.536   57.169  479.131  103.810  491.196   68.491  193.535   21.863  197.365   13.987 -3.830170 25.95455 
1 1 1  -14   -4   11 o  151.577   11.114  289.383   41.776  329.139   79.802  274.375   49.031  160.192   20.413  147.261   13.483 12.93053 24.46366 
1 1 1  -14   -4   12 o  214.016   13.083  576.983   69.584  777.745  105.937  424.637   92.283  247.882   17.221  182.116   20.657 65.76607 26.89385 
1 1 1  -14   -4   13 o  401.959   19.805  2043.84  198.795  2021.63  284.219  2065.12  278.156  395.902   28.949  400.574   27.983 -4.672638 40.26284 
1 1 1  -14   -4   14 f  228.042   12.413  654.885   70.419  556.216  125.833  699.875   84.970  207.363   24.792  235.407   14.525 -28.04372 28.73363 
1 1 1  -14   -4   15 o  146.335   11.447  270.393   41.497  251.003   80.128  277.499   48.509  138.323   24.072  147.978   13.268 -9.655212 27.48635 
1 1 1  -14   -4   16 o  143.493   11.851  260.380   42.085  224.979   81.519  273.245   49.140  130.203   25.982  146.740   13.564 -16.53746 29.30966 
1 1 1  -14   -4   17 o   89.174   13.146  102.174   28.396  119.896   63.651   97.770   31.728   94.989   26.052   86.802   15.191 8.186974 30.15716 
1 1 1  -14   -4   18 o  162.681   12.079  334.565   48.719  280.672   93.444  354.684   57.094  145.362   26.727  167.222   13.796 -21.85966 30.07753 
1 1 1  -14   -4   19 o  227.429   22.037  667.318  123.583   0.0000   0.0000  667.318  123.583  ?   ?   227.429   22.037 0.000000 22.03657 
1 1 1  -14   -4   20 o  136.773   12.183  237.203   41.176  195.972   84.588  250.007   47.137  120.449   28.557  140.179   13.638 -19.73033 31.64638 
1 1 1  -14   -4   21 f  396.716   16.373  1993.54  162.201  1997.95  287.703  1991.49  196.387  389.813   29.781  394.659   19.992 -4.845947 35.86890 
1 1 1  -14   -4   22 o  119.562   13.668  182.607   40.075   86.695   87.460  208.095   45.087   87.044   31.414  127.583   14.404 -40.53901 34.55904 
1 1 1  -14   -4   23 o  352.816   15.223  1574.91  134.126  1569.39  242.575  1577.34  160.970  345.649   28.353  351.577   18.399 -5.927307 33.79961 
1 1 1  -14   -4   24 o  186.313   15.193  442.176   70.071  451.788  120.165  437.224   86.253  184.620   26.851  184.234   19.022 0.3858643 32.90634 
1 1 1  -14   -4   25 o  288.898   14.956  1059.42  107.528  774.325  197.831  1178.96  128.104  238.571   34.184  304.113   16.936 -65.54233 38.14899 
1 1 1  -14   -4   26 o  209.994   12.373  558.068   64.597  692.019  138.514  520.838   73.024  229.734   24.523  202.321   14.551 27.41333 28.51531 
1 1 1  -14   -4   27 o  213.860   13.054  580.146   69.383  610.577  147.992  571.573   78.551  213.443   28.476  211.754   14.951 1.689468 32.16203 
1 1 1  -14   -4   28 o  230.902   12.990  676.793   74.598  757.988  159.415  654.028   84.411  238.068   27.309  226.350   15.019 11.71835 31.16648 
1 1 1  -14   -4   29 o  160.255   24.291  344.459   94.160   0.0000   0.0000  344.459   94.160  ?   ?   160.255   24.291 0.000000 24.29058 
1 1 1  -14   -4   30 o  204.317   14.237  535.164   72.186  242.230  155.371  615.801   81.518  126.730   42.062  218.930   15.001 -92.19935 44.65712 
1 1 1  -14   -4   31 o  150.584   13.443  291.836   50.020  174.254  132.272  311.457   54.032  109.474   38.728  155.380   14.078 -45.90648 41.20740 
1 1 1  -14   -4   32 o  198.963   12.948  508.832   63.984  530.503  159.667  504.686   69.836  187.367   35.423  197.555   14.252 -10.18832 38.18220 
1 1 1  -14   -4   33 o  211.856   16.973  592.376   89.040  631.969  170.461  577.520  104.416  202.766   34.926  206.660   20.504 -3.894287 40.49932 
1 1 1  -14   -4   34 o  200.169   13.480  520.986   66.991  524.634  170.882  520.323   72.820  176.537   39.723  199.275   14.738 -22.73796 42.36874 
1 1 1  -14   -4   35 o   74.217   17.497   76.237   31.900 -19.9919  144.988   81.133   32.701   73.652   33.956   76.604   17.480 -2.952316 38.19099 
1 1 1  -14   -4   36 o   64.569   17.246   57.936   28.333   34.185  154.329   58.764   28.823   80.082   36.186   64.990   17.410 15.09232 40.15641 
1 1 1  -14   -4   37 o   87.238   27.442  118.997   66.675   0.0000   0.0000  118.997   66.675  ?   ?    87.238   27.442 0.000000 27.44249 
1 1 1  -14   -4   38 o  104.551   27.463  175.639   72.627   0.0000   0.0000  175.639   72.627  ?   ?   104.551   27.463 0.000000 27.46292 
1 1 1  -14   -4   39 o  101.155   27.628  170.104   71.759   0.0000   0.0000  170.104   71.759  ?   ?   101.155   27.628 0.000000 27.62764 
1 1 1  -14   -3    1 o  538.005   17.282  3631.36  232.188  3597.98  328.215  3664.81  328.512  534.219   24.603  539.201   24.398 -4.981812 34.64902 
1 1 1  -14   -3    2 o  584.797   18.668  4294.19  272.614  4414.64  385.584  4173.79  385.486  591.353   26.111  574.814   26.855 16.53912 37.45649 
1 1 1  -14   -3    3 o  457.122   15.077  2618.91  172.108  2617.65  243.308  2620.17  243.487  456.151   21.360  456.369   21.365 -0.2189331 30.21119 
1 1 1  -14   -3    4 o  705.000   31.202  6309.04  549.325  6130.94  775.274  6488.60  778.461  687.383   45.421  707.892   44.259 -20.50891 63.41923 
1 1 1  -14   -3    5 f  184.549   13.569  428.922   62.094  438.209   84.047  417.761   92.139  185.899   18.344  181.070   20.752 4.828369 27.69739 
1 1 1  -14   -3    6 o  744.546   23.042  6989.76  428.405  7105.57  606.001  6874.06  605.712  747.099   32.482  734.592   33.019 12.50696 46.31815 
1 1 1  -14   -3    7 o  487.074   16.101  2977.23  195.835  3088.79  277.141  2865.96  276.764  494.942   22.423  476.579   23.255 18.36316 32.30497 
1 1 1  -14   -3    8 o  142.030   8.7079  253.214   30.736  243.422   43.586  262.901   43.348  138.817   12.715  144.379   12.136 -5.561676 17.57659 
1 1 1  -14   -3    9 f  199.404   10.043  498.839   49.848  524.080   70.556  473.686   70.434  203.963   13.936  193.764   14.665 10.19847 20.23071 
1 1 1  -14   -3   10 o  362.869   12.319  1650.09  111.633  1619.37  157.874  1680.81  157.872  358.791   17.621  365.585   17.293 -6.793945 24.68856 
1 1 1  -14   -3   11 o  375.729   13.462  1771.04  126.312  1876.82  179.087  1666.33  178.179  385.962   18.581  362.949   19.733 23.01309 27.10441 
1 1 1  -14   -3   12 f  220.707   11.711  612.296   64.313  703.378  116.289  572.163   77.192  235.185   19.990  212.925   14.606 22.26028 24.75753 
1 1 1  -14   -3   13 o  232.262   14.330  680.449   82.710  746.278  123.314  626.617  111.514  242.024   20.599  221.679   20.372 20.34547 28.97195 
1 1 1  -14   -3   14 o  420.956   15.949  2232.04  167.652  2522.34  294.263  2092.52  203.999  443.273   26.708  406.545   20.094 36.72794 33.42310 
1 1 1  -14   -3   15 o  319.417   13.443  1282.62  107.227  1436.68  190.299  1210.95  129.793  335.173   22.873  309.317   16.867 25.85596 28.41935 
1 1 1  -14   -3   16 o  415.690   16.860  2182.75  175.016  2051.75  305.766  2246.58  213.438  396.475   31.134  420.627   20.320 -24.15176 37.17805 
1 1 1  -14   -3   17 o   99.042   13.203  125.547   31.842  113.182   66.854  129.175   36.213   92.765   27.137  100.159   14.935 -7.393944 30.97552 
1 1 1  -14   -3   18 o  319.281   13.724  1283.97  109.420  1379.51  195.111  1240.14  132.159  327.211   24.047  312.619   16.993 14.59210 29.44484 
1 1 1  -14   -3   19 o  179.424   11.649  406.279   51.912  447.198  100.149  391.246   60.703  185.876   22.003  175.650   13.954 10.22598 26.05498 
1 1 1  -14   -3   20 o  217.326   21.920  609.647  117.333   0.0000   0.0000  609.647  117.333  ?   ?   217.326   21.920 0.000000 21.91960 
1 1 1  -14   -3   21 o  314.507   14.117  1247.92  110.875  1216.11  199.073  1262.22  133.498  305.583   26.345  315.129   17.027 -9.545624 31.36856 
1 1 1  -14   -3   22 o  224.056   14.263  636.142   79.390   0.0000   0.0000  636.142   79.390  ?   ?   224.056   14.263 0.000000 14.26341 
1 1 1  -14   -3   23 o  411.113   30.991  2232.82  315.820  2232.82  315.820   0.0000   0.0000  411.113   30.991  ?   ?  0.000000 30.99082 
1 1 1  -14   -3   24 o  162.339   11.943  333.493   48.074  457.653  106.215  301.504   53.913  187.290   23.207  153.878   14.190 33.41211 27.20165 
1 1 1  -14   -3   25 o  229.791   16.132  672.700   91.981  599.392  145.494  721.506  118.716  212.562   28.099  236.684   20.282 -24.12247 34.65374 
1 1 1  -14   -3   26 o  315.259   13.355  1254.91  105.142  1515.26  200.217  1155.78  123.548  341.682   23.610  301.250   16.486 40.43231 28.79625 
1 1 1  -14   -3   27 o  223.079   12.806  630.225   71.039  734.581  147.456  598.684   81.067  236.290   25.388  216.818   15.066 19.47240 29.52193 
1 1 1  -14   -3   28 o  165.283   13.014  347.440   53.279  438.800  125.799  327.470   58.814  180.100   28.952  159.977   14.893 20.12277 32.55832 
1 1 1  -14   -3   29 o  278.841   14.725  991.143  102.167  846.602  198.700  1043.09  119.120  247.758   32.932  285.202   16.800 -37.44400 36.96939 
1 1 1  -14   -3   30 o  112.909   26.207  175.967   72.468   0.0000   0.0000  175.967   72.468  ?   ?   112.909   26.207 0.000000 26.20677 
1 1 1  -14   -3   31 o  188.555   12.629  454.018   59.123  678.061  144.654  409.085   64.780  222.970   26.499  178.236   14.685 44.73415 30.29568 
1 1 1  -14   -3   32 o   96.172   15.524  121.980   36.013   92.727  123.317  124.707   37.654   90.869   36.191   97.082   16.096 -6.212639 39.60861 
1 1 1  -14   -3   33 o  158.359   13.017  323.642   51.022  568.716  147.381  290.270   54.385  197.463   30.902  149.210   14.791 48.25211 34.25925 
1 1 1  -14   -3   34 o  272.784   17.434  985.210  118.136  1231.98  210.995  872.524  142.580  290.569   29.487  251.493   22.956 39.07582 37.36916 
1 1 1  -14   -3   35 o   43.896   16.558   19.840   24.763  174.666  137.369   14.640   25.176  103.173   38.979   41.716   16.435 61.45670 42.30221 
1 1 1  -14   -3   36 o   70.534   17.268   68.881   30.170  173.051  153.535   64.697   30.770  101.170   40.354   68.228   17.854 32.94210 44.12720 
1 1 1  -14   -3   37 o   50.839   17.500   32.949   26.900  192.521  165.116   28.598   27.265  102.129   41.456   48.765   17.547 53.36333 45.01705 
1 1 1  -14   -3   38 o   95.059   28.104  144.417   71.368   0.0000   0.0000  144.417   71.368  ?   ?    95.059   28.104 0.000000 28.10408 
1 1 1  -14   -3   39 o  213.796   25.333  697.294  132.621   0.0000   0.0000  697.294  132.621  ?   ?   213.796   25.333 0.000000 25.33335 
1 1 1  -14   -2    1 o  369.468   12.982  1709.03  119.775  1713.29  169.175  1704.75  169.600  369.432   18.338  368.034   18.513 1.397247 26.05784 
1 1 1  -14   -2    2 o  543.795   17.543  3710.66  238.230  3635.44  336.599  3786.16  337.218  536.861   25.107  547.978   24.643 -11.11707 35.18046 
1 1 1  -14   -2    3 o  566.153   24.839  4042.77  351.164  3561.03  493.927  4535.18  499.360  526.619   37.811  596.239   33.676 -69.62024 50.63346 
1 1 1  -14   -2    4 o  575.213   25.434  4176.32  365.331  3781.61  514.216  4578.60  519.131  542.450   38.205  598.487   34.887 -56.03650 51.73668 
1 1 1  -14   -2    5 o  565.821   25.886  4044.10  365.753  4253.87  516.224  3832.65  518.288  576.144   36.062  545.879   38.263 30.26465 52.57865 
1 1 1  -14   -2    6 o  650.157   20.329  5317.51  330.055  5391.35  466.846  5243.71  466.691  652.257   28.662  643.132   29.059 9.125122 40.81566 
1 1 1  -14   -2    7 o  724.056   22.547  6609.36  407.678  6688.05  576.551  6530.67  576.537  724.894   31.850  716.147   32.238 8.746582 45.31838 
1 1 1  -14   -2    8 o  454.106   15.317  2586.94  173.690  2659.57  245.714  2514.41  245.556  459.402   21.418  446.572   22.020 12.83008 30.71820 
1 1 1  -14   -2    9 o  205.987   9.6513  530.847   49.645  542.039   70.347  519.744   70.071  207.496   13.653  203.134   13.897 4.361496 19.48140 
1 1 1  -14   -2   10 o  252.319   10.560  796.967   66.537  810.316   94.160  783.654   94.036  253.663   14.931  249.407   15.171 4.256393 21.28546 
1 1 1  -14   -2   11 o  445.372   15.005  2490.67  166.883  2564.71  236.128  2416.76  235.890  450.737   20.978  437.400   21.596 13.33658 30.10810 
1 1 1  -14   -2   12 o  338.663   12.707  1438.36  107.466  1480.94  152.083  1395.89  151.879  342.456   17.846  332.337   18.372 10.11850 25.61241 
1 1 1  -14   -2   13 o  375.197   18.316  1775.36  171.609  1920.09  246.635  1639.53  238.931  387.552   25.629  357.543   26.959 30.00894 37.19709 
1 1 1  -14   -2   14 o  201.806   14.192  514.346   71.065  499.934  106.744  525.818   95.240  197.363   22.034  203.156   18.994 -5.792953 29.09090 
1 1 1  -14   -2   15 o  257.970   12.215  835.391   78.691  926.735  141.295  794.320   94.744  269.479   21.167  250.733   15.204 18.74660 26.06135 
1 1 1  -14   -2   16 o  304.828   13.167  1168.09  100.231  1306.03  178.538  1104.61  121.119  319.509   22.521  295.420   16.484 24.08960 27.90892 
1 1 1  -14   -2   17 f  162.622   12.275  334.154   49.483  219.235   91.955  380.996   58.708  127.781   29.425  173.475   13.663 -45.69437 32.44262 
1 1 1  -14   -2   18 o  177.146   11.853  396.015   52.131  324.547   96.922  425.107   61.838  157.088   25.588  183.266   13.609 -26.17822 28.98234 
1 1 1  -14   -2   19 o  234.882   12.230  695.517   71.488  696.595  131.080  695.061   85.288  232.319   22.892  234.318   14.649 -1.998779 27.17793 
1 1 1  -14   -2   20 o  337.750   26.140  1479.75  218.754   0.0000   0.0000  1479.75  218.754  ?   ?   337.750   26.140 0.000000 26.14002 
1 1 1  -14   -2   21 o  454.366   32.389  2725.89  365.087   0.0000   0.0000  2725.89  365.087  ?   ?   454.366   32.389 0.000000 32.38864 
1 1 1  -14   -2   22 o  149.211   12.040  281.866   44.482  411.755   94.508  244.905   50.415  178.210   21.684  138.500   14.806 39.70927 26.25640 
1 1 1  -14   -2   23 o  444.045   16.967  2499.90  188.137  2701.64  334.075  2406.20  227.673  453.766   29.645  433.888   21.013 19.87784 36.33698 
1 1 1  -14   -2   24 o  208.226   11.836  547.282   61.290  621.325  121.333  521.916   71.016  218.971   22.510  202.864   14.106 16.10791 26.56444 
1 1 1  -14   -2   25 o  185.578   13.033  436.272   60.016  342.465  119.991  467.569   69.308  158.781   31.375  191.811   14.579 -33.03091 34.59654 
1 1 1  -14   -2   26 o  136.194   15.616  237.930   52.151  250.609  102.486  233.499   60.581  135.343   30.991  134.171   18.580 1.172363 36.13375 
1 1 1  -14   -2   27 o  430.728   17.187  2360.20  184.865  2550.76  333.177  2275.43  222.207  438.151   30.644  420.391   21.235 17.75974 37.28263 
1 1 1  -14   -2   28 o  293.192   13.570  1087.03   99.354  1131.93  192.552  1070.74  115.987  292.950   26.611  289.825   16.089 3.124359 31.09706 
1 1 1  -14   -2   29 o  268.704   14.145  917.913   94.576  827.110  185.442  949.835  109.950  247.017   30.727  272.586   16.226 -25.56964 34.74804 
1 1 1  -14   -2   30 o  201.035   13.354  514.820   66.661  406.223  146.128  543.357   74.909  168.460   35.838  206.147   14.647 -37.68777 38.71563 
1 1 1  -14   -2   31 o   98.684   27.643  135.486   70.839   0.0000   0.0000  135.486   70.839  ?   ?    98.684   27.643 0.000000 27.64314 
1 1 1  -14   -2   32 o  193.314   13.216  478.752   63.415  521.764  152.357  469.739   69.743  190.042   33.319  190.888   14.745 -0.8459778 36.43608 
1 1 1  -14   -2   33 o  102.412   15.352  138.100   38.052  104.595  130.488  141.214   39.781   93.620   37.246  103.388   15.919 -9.768707 40.50563 
1 1 1  -14   -2   34 o  225.494   12.884  654.830   72.250  871.218  181.528  614.099   78.757  244.574   30.377  217.414   14.591 27.15923 33.69901 
1 1 1  -14   -2   35 o  204.142   17.085  553.184   86.296  628.765  177.844  529.908   98.694  197.815   37.372  197.406   20.311 0.4083252 42.53434 
1 1 1  -14   -2   36 f  179.061   13.182  417.489   58.530  543.718  175.802  401.753   62.071  177.357   40.574  174.990   14.330 2.366913 43.02999 
1 1 1  -14   -2   37 o   91.789   16.909  115.278   37.330 -199.2050  154.827  134.687   38.464   60.761   29.812   99.824   15.968 -39.06300 33.81908 
1 1 1  -14   -2   38 o  109.230   15.109  160.532   40.110  356.179  180.595  150.380   41.138  128.520   45.275  105.122   16.191 23.39868 48.08335 
1 1 1  -14   -2   39 o  245.866   26.407  920.237  159.590   0.0000   0.0000  920.237  159.590  ?   ?   245.866   26.407 0.000000 26.40675 
1 1 1  -14   -2   40 o   81.661   28.096  109.209   69.338   0.0000   0.0000  109.209   69.338  ?   ?    81.661   28.096 0.000000 28.09637 
1 1 1  -14   -1    1 o  253.791   10.541  805.678   66.802  831.164   94.083  779.767   94.866  257.137   14.713  248.958   15.334 8.178711 21.25093 
1 1 1  -14   -1    2 o  668.994   20.619  5627.05  344.459  5377.34  486.624  5877.82  487.654  651.497   29.911  681.546   28.653 -30.04956 41.42034 
1 1 1  -14   -1    3 o  725.429   32.059  6682.55  580.765  6504.66  819.792  6861.78  822.868  707.761   46.645  727.667   45.513 -19.90594 65.17062 
1 1 1  -14   -1    4 o  404.429   19.353  2055.16  195.454  1939.64  274.016  2174.81  278.876  390.526   28.290  413.929   27.130 -23.40366 39.19595 
1 1 1  -14   -1    5 f  289.477   15.573  1053.69  112.159  962.686  155.456  1152.49  161.978  275.513   22.800  301.834   21.633 -26.32083 31.43003 
1 1 1  -14   -1    6 f  190.600   9.6234  455.507   45.656  472.058   64.372  438.754   64.763  193.670   13.393  186.607   14.000 7.062698 19.37415 
1 1 1  -14   -1    7 o  459.778   14.999  2650.65  172.209  2566.80  243.170  2735.02  243.914  451.430   21.571  466.103   20.956 -14.67255 30.07404 
1 1 1  -14   -1    8 o  176.066   9.3893  388.828   41.133  452.329   58.380  326.230   57.963  189.644   12.396  160.647   14.608 28.99689 19.15880 
1 1 1  -14   -1    9 f  349.749   12.447  1532.32  108.715  1577.45  153.832  1487.29  153.659  354.314   17.386  343.505   17.976 10.80896 25.00822 
1 1 1  -14   -1   10 o  405.196   13.484  2058.40  136.439  2139.35  193.137  1977.76  192.772  412.300   18.759  396.301   19.479 15.99875 27.04293 
1 1 1  -14   -1   11 o  402.280   13.708  2029.82  137.707  2060.58  194.865  1999.14  194.629  404.413   19.296  398.288   19.569 6.125000 27.48177 
1 1 1  -14   -1   12 o  147.464   9.6960  273.358   35.506  292.130   50.139  254.474   50.288  152.028   13.342  141.653   14.417 10.37500 19.64329 
1 1 1  -14   -1   13 o  472.725   15.585  2809.76  183.983  2771.55  260.113  2848.02  260.271  467.809   22.266  474.305   21.974 -6.496124 31.28338 
1 1 1  -14   -1   14 o  259.313   15.500  848.925   99.908  809.557  145.825  883.752  137.156  251.407   23.500  263.405   21.027 -11.99834 31.53387 
1 1 1  -14   -1   15 o  122.717   11.885  190.694   35.964  185.124   69.930  192.697   41.934  118.466   24.449  123.054   13.890 -4.587738 28.11912 
1 1 1  -14   -1   16 o  366.933   14.660  1694.72  134.328  1847.25  236.985  1622.51  163.051  379.368   25.158  357.778   18.311 21.58975 31.11653 
1 1 1  -14   -1   17 o  335.555   14.310  1417.59  119.910  1392.28  211.441  1429.59  145.585  328.505   25.987  335.872   17.418 -7.366730 31.28407 
1 1 1  -14   -1   18 o  195.797   11.758  483.234   57.224  497.347  106.118  477.448   67.950  196.379   22.019  194.212   14.107 2.166367 26.15016 
1 1 1  -14   -1   19 o  281.427   12.965  996.468   91.116  1033.79  164.125  979.841  109.549  283.336   23.406  278.114   15.839 5.221954 28.26172 
1 1 1  -14   -1   20 o  584.448   21.525  4358.77  314.158  4526.38  548.159  4276.79  383.364  581.545   37.954  575.619   26.670 5.925659 46.38774 
1 1 1  -14   -1   21 o  206.954   22.022  553.215  112.063   0.0000   0.0000  553.215  112.063  ?   ?   206.954   22.022 0.000000 22.02231 
1 1 1  -14   -1   22 o  173.391   14.408  381.869   61.822  424.558  102.737  357.636   77.405  180.549   23.333  166.721   18.927 13.82884 30.04425 
1 1 1  -14   -1   23 o  251.713   13.209  800.432   82.741  742.050  153.176  824.485   98.319  238.290   26.173  254.918   15.519 -16.62827 30.42766 
1 1 1  -14   -1   24 o  336.714   14.462  1431.50  121.604  1422.88  219.420  1435.32  146.093  330.293   26.835  335.875   17.478 -5.581848 32.02497 
1 1 1  -14   -1   25 o  233.364   13.524  689.103   78.473  488.158  147.748  768.063   92.616  190.113   32.276  246.009   15.150 -55.89644 35.65432 
1 1 1  -14   -1   26 o  243.336   11.911  745.407   72.377  1022.03  146.853  656.656   83.181  281.790   21.021  227.445   14.724 54.34534 25.66455 
1 1 1  -14   -1   27 o  315.522   18.200  1272.10  142.795  1220.08  216.071  1312.44  190.266  303.831   28.823  317.779   24.157 -13.94846 37.60790 
1 1 1  -14   -1   28 o  197.995   12.856  496.788   63.221  473.724  135.466  503.210   71.483  187.433   29.951  198.883   14.493 -11.44994 33.27278 
1 1 1  -14   -1   29 o  127.315   14.513  207.996   45.318   52.366  110.112  239.732   49.724   83.682   33.894  136.725   14.800 -53.04336 36.98439 
1 1 1  -14   -1   30 o  245.560   13.780  766.941   84.160  705.619  170.500  786.695   96.770  227.442   30.813  248.041   15.704 -20.59856 34.58384 
1 1 1  -14   -1   31 o  186.886   13.098  445.336   60.742  529.602  145.399  427.520   66.856  195.503   30.801  182.569   14.791 12.93420 34.16893 
1 1 1  -14   -1   32 o   70.373   26.542   53.472   63.623   0.0000   0.0000   53.472   63.623  ?   ?    70.373   26.542 0.000000 26.54180 
1 1 1  -14   -1   33 o  180.238   13.919  418.328   62.160  355.404  150.573  431.255   68.247  150.975   39.488  182.530   15.109 -31.55460 42.27960 
1 1 1  -14   -1   34 o  235.296   13.524  713.182   79.129  696.876  179.883  717.094   88.112  215.686   34.565  235.065   15.090 -19.37897 37.71545 
1 1 1  -14   -1   35 o  120.451   14.077  189.875   41.542  161.135  142.270  192.554   43.435  103.018   39.489  121.076   14.665 -18.05711 42.12385 
1 1 1  -14   -1   36 o  166.065   17.243  368.317   70.464  325.704  163.740  378.002   78.062  133.700   43.110  167.089   19.049 -33.38937 47.13060 
1 1 1  -14   -1   37 o   94.965   16.040  121.776   36.684 -57.8609  155.219  132.403   37.754   72.167   33.887   99.228   15.763 -27.06017 37.37384 
1 1 1  -14   -1   38 o   79.611   17.052   87.601   32.880  102.937  168.716   86.995   33.522   90.278   39.461   79.179   17.426 11.09805 43.13787 
1 1 1  -14   -1   39 f   87.222   16.815  105.278   35.296  115.125  187.021  104.915   35.942   90.559   40.463   86.895   17.172 3.663803 43.95636 
1 1 1  -14   -1   40 o  105.916   28.621  183.495   77.496   0.0000   0.0000  183.495   77.496  ?   ?   105.916   28.621 0.000000 28.62061 
1 1 1  -14    0    1 o  722.460   31.989  6629.19  577.119  6509.32  814.749  6749.90  817.597  708.007   46.338  721.446   45.617 -13.43817 65.02406 
1 1 1  -14    0    2 o  573.489   25.212  4150.28  361.068  3668.26  508.043  4642.25  513.252  534.205   38.339  602.940   34.229 -68.73535 51.39580 
1 1 1  -14    0    3 o  328.506   17.335  1357.98  141.700  1428.44  198.380  1284.59  202.470  335.813   23.811  317.978   25.719 17.83514 35.04858 
1 1 1  -14    0    4 o  473.318   22.071  2820.58  260.874  2759.17  367.019  2883.28  370.873  465.046   31.795  475.556   31.407 -10.50974 44.69110 
1 1 1  -14    0    5 o  278.322   10.119  968.938   70.329  933.964   98.959  1004.63   99.970  272.604   14.590  283.160   14.138 -10.55621 20.31616 
1 1 1  -14    0    6 o  516.823   16.180  3350.86  208.820  3335.69  295.152  3366.06  295.481  514.420   22.976  516.773   22.897 -2.353027 32.43728 
1 1 1  -14    0    7 o  285.027   11.453  1016.87   81.519  1074.85  115.218  958.748  115.353  292.289   15.845  275.864   16.825 16.42563 23.11160 
1 1 1  -14    0    8 o  481.680   15.731  2911.07  189.217  2991.66  267.590  2830.48  267.598  487.172   21.996  473.738   22.620 13.43396 31.55115 
1 1 1  -14    0    9 o  195.681   9.7301  479.045   47.546  556.577   67.726  403.698   66.766  210.368   12.955  178.759   15.098 31.60934 19.89432 
1 1 1  -14    0   10 o  303.843   11.302  1155.98   85.752  1198.20  121.203  1113.66  121.340  308.530   15.784  297.319   16.406 11.21106 22.76644 
1 1 1  -14    0   11 o  429.802   13.989  2317.30  150.141  2402.81  212.521  2232.09  212.142  436.706   19.488  420.769   20.190 15.93777 28.06066 
1 1 1  -14    0   12 o  404.157   13.766  2049.45  138.932  2091.40  196.606  2007.61  196.354  407.312   19.329  398.994   19.707 8.318115 27.60426 
1 1 1  -14    0   13 f  395.104   13.632  1959.30  134.499  1925.07  189.946  1993.71  190.476  390.586   19.474  397.550   19.187 -6.963867 27.33816 
1 1 1  -14    0   14 o  494.961   23.311  3109.83  288.124  3048.58  409.781  3169.72  405.195  484.504   34.086  494.673   32.991 -10.16931 47.43692 
1 1 1  -14    0   15 o  238.403   14.385  717.113   85.240  804.786  126.681  644.577  115.227  251.352   20.358  224.676   20.773 26.67670 29.08495 
1 1 1  -14    0   16 f  183.489   11.482  424.029   52.347  469.886   97.286  405.342   62.103  191.445   20.678  179.003   14.005 12.44232 24.97428 
1 1 1  -14    0   17 o  263.384   12.879  871.822   84.708  883.593  151.398  866.457  102.203  262.245   23.363  261.702   15.712 0.5427856 28.15498 
1 1 1  -14    0   18 o  410.247   16.614  2125.83  170.207  2129.43  298.471  2124.10  207.201  404.530   29.755  408.926   20.291 -4.395935 36.01479 
1 1 1  -14    0   19 o  123.084   12.395  192.334   37.581  176.559   76.992  197.268   43.059  114.827   27.258  124.369   14.114 -9.541740 30.69556 
1 1 1  -14    0   20 o  314.179   13.731  1243.21  107.728  1308.27  193.329  1213.91  129.736  318.443   24.500  309.337   16.859 9.106354 29.73957 
1 1 1  -14    0   21 o  131.817   27.080  232.105   86.156  232.105   86.156   0.0000   0.0000  131.817   27.080  ?   ?  0.000000 27.07958 
1 1 1  -14    0   22 o  208.950   22.417  564.582  115.144   0.0000   0.0000  564.582  115.144  ?   ?   208.950   22.417 0.000000 22.41745 
1 1 1  -14    0   23 o  352.893   14.918  1572.55  131.459  1575.99  234.787  1570.98  158.661  347.812   27.250  351.331   18.146 -3.518097 32.73909 
1 1 1  -14    0   24 o  236.285   12.421  704.602   73.031  811.313  140.080  664.771   85.583  250.643   22.624  228.913   15.055 21.73003 27.17596 
1 1 1  -14    0   25 o  207.040   13.250  542.419   68.144  416.509  131.795  588.362   79.612  175.870   31.149  215.296   14.899 -39.42580 34.52947 
1 1 1  -14    0   26 o  259.114   12.526  845.680   81.049  993.627  157.988  792.837   94.421  277.135   23.038  249.931   15.201 27.20413 27.60056 
1 1 1  -14    0   27 o  257.299   15.353  840.908   98.198  1072.11  161.045  704.070  123.896  287.940   22.578  233.407   21.498 54.53299 31.17614 
1 1 1  -14    0   28 o  119.014   14.288  181.570   41.615  179.705  116.302  181.844   44.566  115.071   36.251  118.864   15.375 -3.792664 39.37693 
1 1 1  -14    0   29 o  174.846   12.484  387.659   54.150  482.342  128.347  367.155   59.727  189.888   27.899  169.743   14.222 20.14462 31.31433 
1 1 1  -14    0   30 o  204.310   12.867  529.801   65.312  512.949  144.010  534.165   73.282  193.920   30.766  204.728   14.426 -10.80853 33.98023 
1 1 1  -14    0   31 o  205.468   13.118  537.231   66.959  552.421  150.356  533.473   74.784  200.190   31.085  204.237   14.762 -4.047409 34.41216 
1 1 1  -14    0   32 f  198.196   13.392  501.745   65.893  403.420  152.593  524.282   73.055  165.317   37.787  202.208   14.565 -36.89084 40.49715 
1 1 1  -14    0   33 o  283.134   19.625  1052.24  137.900  1053.85  222.604  1051.24  175.666  271.241   33.582  278.382   25.555 -7.140656 42.19986 
1 1 1  -14    0   34 o  322.677   14.253  1337.99  114.850  1594.16  236.981  1259.35  131.300  337.533   28.379  310.807   16.981 26.72644 33.07154 
1 1 1  -14    0   35 o  187.294   13.696  453.906   63.611  462.579  163.922  452.369   69.020  169.336   39.491  186.352   14.958 -17.01654 42.22848 
1 1 1  -14    0   36 o  281.671   14.328  1031.65  100.451  1101.41  221.090  1013.50  112.761  268.613   33.702  277.528   16.343 -8.914734 37.45565 
1 1 1  -14    0   37 o   83.416   19.020   96.716   38.741   26.702  146.844  101.953   40.164   80.321   35.874   85.596   19.256 -5.275475 40.71538 
1 1 1  -14    0   38 o   49.349   17.225   30.068   26.105   68.493  161.981   29.043   26.450   86.436   38.192   48.932   17.317 37.50457 41.93476 
1 1 1  -14    0   39 o   93.146   15.943  118.097   35.750  192.944  178.019  114.952   36.493  101.970   42.385   91.581   16.567 10.38989 45.50809 
1 1 1  -14    0   40 o   71.321   17.366   71.655   30.640  199.501  198.037   68.519   31.014   99.302   43.088   69.593   17.781 29.70837 46.61208 
1 1 1  -14    1    1 o  569.184   25.923  4092.72  368.454  4134.43  519.700  4050.56  522.456  567.604   36.865  561.543   37.473 6.061340 52.56665 
1 1 1  -14    1    2 o  221.491   14.555  617.419   80.058  686.775  110.472  540.709  116.182  233.015   19.155  205.913   22.987 27.10229 29.92158 
1 1 1  -14    1    3 o  283.910   16.223  1014.29  114.541  1163.22  159.995  857.712  164.051  303.308   21.258  259.389   25.663 43.91864 33.32439 
1 1 1  -14    1    4 o  249.176   10.626  776.776   66.118  716.049   92.709  839.633   94.321  238.454   15.656  258.417   14.677 -19.96246 21.45991 
1 1 1  -14    1    5 o  200.838   9.9960  504.532   50.133  533.006   70.616  475.599   71.184  205.800   13.821  194.231   14.787 11.56889 20.24050 
1 1 1  -14    1    6 f  396.798   13.791  1972.77  136.656  1979.49  192.999  1966.01  193.523  396.786   19.478  395.417   19.599 1.369507 27.63161 
1 1 1  -14    1    7 o  106.772   9.8677  143.818   26.013  147.355   36.113  140.004   37.501  107.575   13.758  104.657   14.759 2.918541 20.17706 
1 1 1  -14    1    8 o  307.860   11.841  1186.68   91.034  1246.55  128.688  1126.72  128.794  314.703   16.432  299.015   17.323 15.68808 23.87661 
1 1 1  -14    1    9 o  562.321   18.150  3975.29  254.868  4027.71  360.374  3922.83  360.501  564.116   25.582  556.619   25.936 7.497620 36.42937 
1 1 1  -14    1   10 o  308.170   10.996  1188.95   84.617  1199.53  119.521  1178.32  119.813  308.740   15.552  305.963   15.735 2.776642 22.12358 
1 1 1  -14    1   11 o  428.519   14.213  2303.75  152.094  2299.40  214.987  2308.11  215.200  427.086   20.158  427.898   20.140 -0.8113403 28.49463 
1 1 1  -14    1   12 o  308.198   11.380  1189.91   87.586  1303.65  124.246  1077.54  123.489  322.147   15.445  292.212   16.997 29.93469 22.96565 
1 1 1  -14    1   13 o  486.486   16.171  2976.34  196.448  3074.55  277.951  2878.31  277.689  492.773   22.588  476.565   23.334 16.20764 32.47565 
1 1 1  -14    1   14 o  299.354   12.730  1124.35   95.166  1327.59  167.876  1028.11  115.520  323.314   20.905  285.365   16.278 37.94922 26.49515 
1 1 1  -14    1   15 o  386.478   19.307  1887.74  186.335  1857.97  266.757  1916.10  260.392  379.820   28.328  386.211   27.172 -6.391174 39.25350 
1 1 1  -14    1   16 o  193.877   9.8576  472.150   47.568  511.288   67.228  432.911   67.314  201.270   13.453  184.924   14.698 16.34631 19.92542 
1 1 1  -14    1   17 o  390.359   15.844  1920.97  154.452  1907.70  270.315  1927.41  188.198  384.023   28.389  390.106   19.319 -6.082520 34.33892 
1 1 1  -14    1   18 o  620.427   22.561  4906.74  349.543  5316.58  609.420  4705.81  426.710  632.315   38.782  604.061   28.288 28.25427 48.00300 
1 1 1  -14    1   19 o  224.696   13.026  637.118   72.777  501.827  131.047  697.450   87.512  195.545   27.604  234.736   15.008 -39.19106 31.42034 
1 1 1  -14    1   20 o  143.416   13.861  261.392   49.023   0.0000   0.0000  261.392   49.023  ?   ?   143.416   13.861 0.000000 13.86119 
1 1 1  -14    1   21 o  197.645   12.442  493.190   61.095  453.885  114.933  508.670   72.130  186.318   25.361  200.342   14.516 -14.02350 29.22180 
1 1 1  -14    1   22 o  388.529   28.840  1970.12  277.817   0.0000   0.0000  1970.12  277.817  ?   ?   388.529   28.840 0.000000 28.83996 
1 1 1  -14    1   23 o  350.479   27.044  1597.94  234.866   0.0000   0.0000  1597.94  234.866  ?   ?   350.479   27.044 0.000000 27.04443 
1 1 1  -14    1   24 o  243.936   12.620  750.961   76.612  808.746  144.850  728.518   90.272  250.006   23.476  239.688   15.160 10.31844 27.94582 
1 1 1  -14    1   25 o  313.284   14.683  1239.33  114.871  1106.64  207.270  1298.16  138.005  290.121   28.998  319.473   17.364 -29.35126 33.79879 
1 1 1  -14    1   26 o  533.171   19.777  3624.97  263.320  3820.83  464.565  3532.26  319.622  534.737   34.983  523.432   24.453 11.30481 42.68179 
1 1 1  -14    1   27 f  425.225   16.871  2294.25  179.148  2274.95  320.509  2303.01  216.048  414.543   31.190  424.484   20.382 -9.940918 37.25891 
1 1 1  -14    1   28 o  277.178   17.277  980.012  118.990  933.409  185.788  1012.42  154.937  265.753   28.437  279.771   22.364 -14.01880 36.17741 
1 1 1  -14    1   29 o  195.512   12.578  484.099   61.082  519.506  135.083  474.998   68.484  197.272   28.226  193.262   14.292 4.010162 31.63758 
1 1 1  -14    1   30 o  222.378   12.903  626.875   71.344  640.957  153.883  623.019   80.521  218.549   28.906  221.209   14.660 -2.660477 32.41047 
1 1 1  -14    1   31 o  279.611   14.170  994.755   98.619  912.901  196.187  1022.43  114.080  258.967   30.950  282.668   16.230 -23.70139 34.94756 
1 1 1  -14    1   32 o  241.259   12.860  740.324   77.198  893.558  170.572  700.852   86.572  257.572   26.917  233.989   14.893 23.58278 30.76237 
1 1 1  -14    1   33 o   56.228   18.107   40.176   28.895   0.0000   0.0000   40.176   28.895  ?   ?    56.228   18.107 0.000000 18.10747 
1 1 1  -14    1   34 o  453.704   17.249  2671.76  195.433  2987.60  366.598  2546.36  230.993  457.835   32.271  438.834   21.079 19.00143 38.54571 
1 1 1  -14    1   35 o  223.124   13.304  640.768   73.793  701.958  174.544  627.451   81.428  218.039   33.097  219.947   14.913 -1.908279 36.30159 
1 1 1  -14    1   36 o  191.120   12.976  471.696   61.561  591.032  167.196  452.980   66.212  195.325   35.589  186.605   14.318 8.719482 38.36163 
1 1 1  -14    1   37 o  173.934   14.042  394.779   60.469  397.139  171.239  394.443   64.633  148.560   43.423  173.289   15.086 -24.72896 45.96934 
1 1 1  -14    1   38 o   77.858   19.185   84.732   37.059   92.548  158.378   84.279   38.117   90.132   38.820   77.504   19.663 12.62788 43.51612 
1 1 1  -14    1   39 o  112.100   15.365  168.420   41.880   68.607  175.982  174.412   43.118   87.287   39.108  114.013   15.550 -26.72590 42.08623 
1 1 1  -14    1   40 o   46.613   17.057   25.315   25.912 -72.7723  180.931   27.369   26.182   73.145   34.989   47.710   17.193 25.43443 38.98486 
1 1 1  -14    1   41 o   70.434   18.180   70.812   32.194   0.0000   0.0000   70.812   32.194  ?   ?    70.434   18.180 0.000000 18.18019 
1 1 1  -14    2    1 o  470.376   15.266  2774.47  179.320  2825.24  253.619  2723.71  253.575  473.673   21.441  465.012   21.837 8.661346 30.60367 
1 1 1  -14    2    2 o  549.905   17.640  3797.17  242.234  3739.35  342.177  3855.25  342.967  544.108   25.183  552.557   24.856 -8.449219 35.38367 
1 1 1  -14    2    3 o  404.427   13.944  2049.45  140.824  2068.60  198.862  2030.18  199.448  405.610   19.633  401.791   19.878 3.819031 27.93947 
1 1 1  -14    2    4 o  173.988   9.6266  379.766   41.663  393.393   58.228  365.471   59.638  176.721   13.292  170.193   14.161 6.528717 19.42176 
1 1 1  -14    2    5 o  213.423   9.4849  569.675   50.550  535.571   70.680  605.386   72.326  206.288   13.800  219.440   13.261 -13.15215 19.13893 
1 1 1  -14    2    6 o  110.055   10.113  152.796   27.483  163.211   38.074  141.467   39.711  113.308   13.737  105.073   15.609 8.234802 20.79256 
1 1 1  -14    2    7 o  151.347   9.5047  287.632   35.740  269.489   49.835  306.845   51.283  145.993   13.835  155.935   13.297 -9.941498 19.18867 
1 1 1  -14    2    8 o  176.645   9.2080  391.331   40.477  378.154   56.617  405.107   57.891  173.228   13.187  179.350   13.014 -6.122375 18.52776 
1 1 1  -14    2    9 o  253.075   10.392  801.514   65.672  835.701   92.619  766.947   93.132  257.741   14.448  246.778   15.186 10.96358 20.96157 
1 1 1  -14    2   10 o  358.328   12.778  1609.04  114.339  1564.84  161.316  1653.67  162.086  352.213   18.405  362.628   17.899 -10.41495 25.67333 
1 1 1  -14    2   11 o  218.315   9.6159  596.409   52.423  576.013   73.774  617.211   74.506  213.850   13.890  221.442   13.539 -7.592148 19.39654 
1 1 1  -14    2   12 o  422.490   14.409  2240.50  152.022  2209.10  214.612  2272.13  215.373  418.383   20.541  424.357   20.324 -5.974365 28.89662 
1 1 1  -14    2   13 o  192.669   9.5763  464.663   46.075  545.169   65.478  385.707   64.845  208.119   12.659  174.586   15.020 33.53290 19.64307 
1 1 1  -14    2   14 o  345.933   12.633  1501.30  109.130  1556.66  154.359  1445.97  154.307  351.030   17.666  338.131   18.343 12.89877 25.46660 
1 1 1  -14    2   15 o  197.139   13.899  490.665   67.987  514.386  102.357  471.937   90.949  200.555   20.737  192.352   19.190 8.202972 28.25438 
1 1 1  -14    2   16 o  110.604   9.8161  154.453   26.830  166.692   37.519  141.645   38.383  114.420   13.384  105.050   15.062 9.369881 20.14957 
1 1 1  -14    2   17 o  271.596   10.240  924.671   69.453  915.149   98.068  934.252   98.376  269.251   14.640  272.078   14.532 -2.826050 20.62800 
1 1 1  -14    2   18 o  672.642   21.175  5751.47  355.673  5920.30  503.340  5583.09  502.656  676.578   29.792  656.349   30.668 20.22845 42.75582 
1 1 1  -14    2   19 o  192.697   14.547  470.393   69.484   0.0000   0.0000  470.393   69.484  ?   ?   192.697   14.547 0.000000 14.54704 
1 1 1  -14    2   20 o  110.266   27.396  162.853   75.101  162.853   75.101   0.0000   0.0000  110.266   27.396  ?   ?  0.000000 27.39585 
1 1 1  -14    2   21 o  323.547   14.366  1319.50  116.069  1321.98  206.780  1318.36  140.247  319.422   26.153  322.220   17.495 -2.797638 31.46506 
1 1 1  -14    2   22 o  466.427   18.308  2759.72  213.240  2767.31  374.345  2756.08  259.448  458.090   32.944  464.322   22.376 -6.231689 39.82476 
1 1 1  -14    2   23 o   64.307   24.993   34.722   57.574   0.0000   0.0000   34.722   57.574  ?   ?    64.307   24.993 0.000000 24.99298 
1 1 1  -14    2   24 o  515.234   19.552  3378.07  251.558  3337.00  441.800  3397.77  306.008  500.314   35.594  514.398   23.822 -14.08444 42.83014 
1 1 1  -14    2   25 o  248.079   12.869  776.993   79.450  802.230  150.825  767.300   93.470  248.530   24.626  245.965   15.293 2.564758 28.98873 
1 1 1  -14    2   26 o  179.541   12.941  408.111   57.633  341.453  118.292  428.858   65.995  159.002   30.905  183.754   14.500 -24.75165 34.13786 
1 1 1  -14    2   27 o  192.590   12.335  468.877   59.011  592.558  125.994  434.121   66.790  213.230   24.084  184.822   14.590 28.40727 28.15866 
1 1 1  -14    2   28 o  337.167   15.453  1439.12  130.111  1265.06  237.454  1513.80  155.538  308.356   31.270  344.465   18.146 -36.10822 36.15344 
1 1 1  -14    2   29 o  291.541   16.724  1083.07  121.248  1238.38  192.561  981.043  156.073  307.966   25.261  274.980   22.938 32.98615 34.12174 
1 1 1  -14    2   30 o  156.271   13.083  310.566   50.587  413.006  128.196  291.673   55.054  174.289   30.569  151.024   14.788 23.26465 33.95821 
1 1 1  -14    2   31 o  143.729   13.831  264.056   49.027  325.047  129.407  253.835   52.977  151.735   34.882  140.517   15.347 11.21764 38.10903 
1 1 1  -14    2   32 f  289.285   14.759  1068.02  106.260  931.031  208.431  1116.12  123.518  259.224   32.942  294.786   16.849 -35.56232 37.00133 
1 1 1  -14    2   33 o  199.161   12.628  505.491   62.480  659.777  153.507  474.855   68.403  219.160   28.742  192.443   14.337 26.71628 32.11897 
1 1 1  -14    2   34 o  339.936   28.535  1595.66  239.990   0.0000   0.0000  1595.66  239.990  ?   ?   339.936   28.535 0.000000 28.53525 
1 1 1  -14    2   35 o  189.979   13.406  464.487   63.191  464.869  163.972  464.421   68.481  172.582   38.969  189.450   14.587 -16.86835 41.61007 
1 1 1  -14    2   36 o  110.572   14.871  160.775   40.020  217.489  148.409  156.328   41.559  115.715   41.013  108.672   15.775 7.042900 43.94241 
1 1 1  -14    2   37 o   50.344   17.598   30.714   27.253 -125.5819  144.376   36.488   27.752   65.201   31.207   53.428   17.779 11.77288 35.91571 
1 1 1  -14    2   38 o   51.987   17.639   34.187   27.316  -5.5736  157.095   35.426   27.738   78.613   35.907   52.728   17.776 25.88538 40.06651 
1 1 1  -14    2   39 o   76.273   18.218   80.956   34.223  170.585  168.723   77.110   34.950  101.462   41.628   74.246   18.824 27.21638 45.68666 
1 1 1  -14    2   40 o   95.783   15.880  124.560   36.653  375.890  189.108  114.749   37.362  132.113   46.346   91.334   17.007 40.77881 49.36796 
1 1 1  -14    2   41 o  100.826   16.030  139.020   39.010  318.970  215.417  132.918   39.666  114.056   46.944   98.149   16.787 15.90688 49.85570 
1 1 1  -14    3    1 o  414.870   14.083  2157.47  145.900  2140.64  205.892  2174.45  206.779  412.432   19.991  415.688   19.920 -3.255920 28.22135 
1 1 1  -14    3    2 o  252.549   10.589  798.098   66.780  889.493   94.240  705.917   94.645  266.008   14.239  236.638   16.112 29.36960 21.50209 
1 1 1  -14    3    3 o  140.549   9.7585  248.286   34.038  253.389   47.335  242.823   48.981  141.564   13.556  138.443   14.378 3.121887 19.76031 
1 1 1  -14    3    4 f  137.530   9.6558  237.748   32.951  229.758   45.771  246.344   47.477  134.707   13.801  139.531   13.807 -4.824219 19.52192 
1 1 1  -14    3    5 o  366.377   12.774  1681.33  116.868  1697.71  165.007  1664.84  165.546  367.589   17.976  363.522   18.295 4.066559 25.64825 
1 1 1  -14    3    6 f  273.570   11.033  936.699   75.372  936.800  106.067  936.597  107.126  272.814   15.634  272.762   15.795 0.5181885E-01 22.22416 
1 1 1  -14    3    7 o  237.204   10.173  704.002   60.258  712.076   84.775  695.756   85.669  237.889   14.338  235.095   14.666 2.793320 20.50964 
1 1 1  -14    3    8 o  623.097   19.729  4887.13  306.975  4797.45  433.746  4977.13  434.513  614.750   28.254  626.327   27.781 -11.57764 39.62457 
1 1 1  -14    3    9 o  303.405   11.236  1152.55   85.127  1108.86  119.771  1197.16  121.014  296.721   16.226  308.413   15.765 -11.69260 22.62348 
1 1 1  -14    3   10 o  216.890   10.128  588.734   54.856  598.162   77.052  579.044   78.115  217.912   14.238  214.326   14.684 3.586472 20.45305 
1 1 1  -14    3   11 f  378.320   13.097  1794.49  123.727  1827.11  174.750  1761.71  175.204  380.980   18.368  373.558   18.842 7.421753 26.31398 
1 1 1  -14    3   12 o  336.185   12.600  1416.94  105.782  1419.97  149.309  1413.89  149.891  335.384   17.892  334.640   18.003 0.7441711 25.38192 
1 1 1  -14    3   13 o  338.159   12.618  1434.09  106.554  1425.54  150.436  1442.69  150.944  335.919   17.999  337.950   17.950 -2.030823 25.42006 
1 1 1  -14    3   14 o  411.901   13.593  2130.09  139.820  2146.35  197.567  2113.78  197.906  412.347   19.187  409.164   19.369 3.183319 27.26339 
1 1 1  -14    3   15 o  356.901   18.414  1611.99  163.559  1567.89  234.489  1653.78  228.253  349.265   27.098  359.299   25.607 -10.03375 37.28271 
1 1 1  -14    3   16 o  412.168   20.241  2151.44  208.334  2115.96  297.595  2185.54  291.748  404.519   29.667  411.663   28.557 -7.143524 41.17803 
1 1 1  -14    3   17 o  276.218   9.8387  956.086   67.864  981.717   96.006  930.489   95.943  279.414   13.759  271.602   14.195 7.811218 19.76929 
1 1 1  -14    3   18 o  228.201   10.284  652.958   58.603  654.977   82.793  650.930   82.962  227.604   14.645  226.882   14.723 0.7218323 20.76574 
1 1 1  -14    3   19 o  300.485   10.843  1132.95   81.360  1104.31  114.936  1161.72  115.187  295.477   15.632  303.172   15.264 -7.694702 21.84837 
1 1 1  -14    3   20 o  312.226   14.365  1228.21  111.999  1047.35  197.246  1314.27  136.060  283.452   28.242  321.976   16.982 -38.52383 32.95485 
1 1 1  -14    3   21 o  293.793   13.182  1086.23   96.711  1171.01  173.649  1048.12  116.441  301.739   23.224  287.557   16.282 14.18118 28.36339 
1 1 1  -14    3   22 o  141.727   12.898  254.790   45.149  242.196   90.055  259.018   52.180  134.596   27.716  142.542   14.879 -7.946503 31.45741 
1 1 1  -14    3   23 o  205.103   15.031  533.721   76.448   0.0000   0.0000  533.721   76.448  ?   ?   205.103   15.031 0.000000 15.03073 
1 1 1  -14    3   24 o  458.103   32.797  2770.99  372.702   0.0000   0.0000  2770.99  372.702  ?   ?   458.103   32.797 0.000000 32.79677 
1 1 1  -14    3   25 o  235.188   12.480  697.984   73.034  799.727  141.482  661.024   85.274  248.792   23.034  228.310   15.041 20.48213 27.51000 
1 1 1  -14    3   26 o  145.090   12.652  266.993   45.381  272.957  103.234  265.564   50.524  142.132   30.027  144.411   14.194 -2.278412 33.21230 
1 1 1  -14    3   27 o  227.092   13.699  652.734   77.325  554.164  149.207  688.928   90.413  203.824   30.231  232.857   15.639 -29.03247 34.03662 
1 1 1  -14    3   28 o  369.956   16.037  1733.79  148.159  1697.91  269.396  1749.35  177.397  358.434   30.384  369.969   19.268 -11.53519 35.97792 
1 1 1  -14    3   29 o  303.691   13.581  1164.34  102.996  1290.48  197.791  1117.41  120.643  314.537   25.398  296.346   16.366 18.19131 30.21453 
1 1 1  -14    3   30 o  159.609   16.610  327.123   65.235  220.323  127.189  365.248   75.991  125.690   37.601  168.245   18.386 -42.55553 41.85606 
1 1 1  -14    3   31 o  148.065   14.227  280.244   51.957  217.540  129.747  292.220   56.702  124.326   38.147  150.967   15.250 -26.64143 41.08256 
1 1 1  -14    3   32 o  447.056   17.494  2560.45  195.304  2841.03  358.810  2442.33  232.814  457.120   31.627  433.826   21.490 23.29376 38.23765 
1 1 1  -14    3   33 o  213.479   13.370  581.262   70.918  632.573  160.558  568.825   79.047  213.546   31.016  210.554   15.135 2.992569 34.51128 
1 1 1  -14    3   34 o  233.905   12.861  698.216   74.831  966.931  174.720  637.851   82.811  266.548   26.605  222.674   14.980 43.87376 30.53179 
1 1 1  -14    3   35 o  142.445   27.251  285.646   93.404   0.0000   0.0000  285.646   93.404  ?   ?   142.445   27.251 0.000000 27.25130 
1 1 1  -14    3   36 o  121.089   14.421  191.447   42.748  223.511  147.272  188.497   44.671  117.941   40.926  119.828   15.276 -1.886925 43.68430 
1 1 1  -14    3   37 o   82.180   17.107   91.614   33.966  258.901  150.322   82.614   34.867  123.502   41.383   77.618   18.289 45.88423 45.24395 
1 1 1  -14    3   38 o  104.075   14.702  143.379   37.145  543.225  169.268  123.150   38.073  182.160   38.420   95.609   16.546 86.55091 41.83135 
1 1 1  -14    3   39 o   58.281   18.698   45.378   30.834  146.624  167.357   41.821   31.371   98.820   41.088   56.598   18.905 42.22208 45.22852 
1 1 1  -14    3   40 o  174.399   13.793  399.407   59.579  575.217  211.985  384.328   62.082  167.234   48.152  170.476   14.728 -3.241669 50.35366 
1 1 1  -14    3   41 o  131.731   50.001  433.682  226.701  433.682  226.701   0.0000   0.0000  131.731   50.001  ?   ?  0.000000 50.00070 
1 1 1  -14    3   42 o  158.966   14.713  339.159   57.742  434.058  230.411  332.799   59.646  124.962   49.564  156.930   15.419 -31.96853 51.90687 
1 1 1  -14    4    1 o  515.688   16.775  3340.38  216.019  3317.66  305.047  3363.24  305.948  512.374   23.841  515.906   23.748 -3.531799 33.65073 
1 1 1  -14    4    2 f  426.387   14.286  2279.69  152.110  2257.45  214.641  2302.13  215.593  423.386   20.301  427.576   20.192 -4.189362 28.63299 
1 1 1  -14    4    3 o  267.333   10.789  894.469   72.027  966.952  101.687  821.487  102.037  277.279   14.739  255.323   16.086 21.95595 21.81695 
1 1 1  -14    4    4 o  370.672   13.209  1721.68  122.265  1821.84  172.807  1621.28  173.011  380.696   18.177  358.452   19.400 22.24423 26.58567 
1 1 1  -14    4    5 o  343.537   12.084  1477.99  103.664  1506.64  146.195  1449.02  147.014  346.353   16.903  339.168   17.416 7.185242 24.27020 
1 1 1  -14    4    6 o  306.675   11.488  1177.53   87.981  1174.86  123.932  1180.23  124.923  305.475   16.305  306.161   16.399 -0.6852112 23.12570 
1 1 1  -14    4    7 o  241.889   9.8258  732.053   59.352  697.743   83.108  767.764   84.789  235.467   14.200  247.092   13.796 -11.62494 19.79878 
1 1 1  -14    4    8 o  565.930   18.187  4027.93  257.030  3906.19  362.975  4150.36  364.019  555.176   26.182  572.494   25.463 -17.31818 36.52148 
1 1 1  -14    4    9 o  306.793   11.732  1178.88   89.884  1186.09  126.759  1171.58  127.476  306.811   16.606  304.889   16.808 1.922333 23.62796 
1 1 1  -14    4   10 o  217.551   9.7644  592.278   53.047  573.873   74.424  611.283   75.628  213.432   14.042  220.338   13.815 -6.906052 19.69860 
1 1 1  -14    4   11 o  291.828   11.528  1066.87   84.008  1061.00  118.266  1072.85  119.353  290.081   16.393  291.691   16.453 -1.610748 23.22577 
1 1 1  -14    4   12 o  356.930   12.486  1597.26  111.288  1593.75  157.025  1600.81  157.747  355.805   17.673  356.585   17.715 -0.7802734 25.02313 
1 1 1  -14    4   13 o  227.397   9.9463  647.448   56.480  681.089   79.605  613.346   80.148  232.532   13.770  220.493   14.639 12.03925 20.09818 
1 1 1  -14    4   14 o  460.230   15.623  2664.26  179.555  2739.71  253.808  2588.66  254.051  465.069   21.854  451.869   22.514 13.20065 31.37679 
1 1 1  -14    4   15 o  231.159   14.915  674.745   85.635  616.089  124.947  726.703  117.598  219.060   23.194  238.920   19.891 -19.86015 30.55499 
1 1 1  -14    4   16 o  283.406   16.620  1015.92  117.105  834.943  168.772  1183.95  162.622  254.048   27.018  304.754   21.507 -50.70551 34.53267 
1 1 1  -14    4   17 o  324.379   11.446  1320.24   92.716  1357.04  131.134  1283.45  131.107  328.103   16.005  318.568   16.538 9.535889 23.01411 
1 1 1  -14    4   18 o  222.669   14.721  627.060   81.396   0.0000   0.0000  627.060   81.396  ?   ?   222.669   14.721 0.000000 14.72137 
1 1 1  -14    4   19 o  299.305   12.511  1125.86   93.513  1123.71  115.567  1129.96  159.152  298.090   15.579  297.205   21.591 0.8853149 26.62518 
1 1 1  -14    4   20 o  124.680   10.220  196.268   31.542  215.662   44.653  176.955   44.560  130.147   13.957  117.435   15.579 12.71156 20.91702 
1 1 1  -14    4   21 o  425.661   16.411  2289.76  174.445  2435.38  306.763  2220.17  212.073  432.933   28.535  417.807   20.326 15.12637 35.03410 
1 1 1  -14    4   22 o  190.936   12.799  460.667   60.674  379.306  112.542  494.004   72.039  169.388   27.553  197.387   14.721 -27.99866 31.23909 
1 1 1  -14    4   23 f  101.086   15.333  131.832   37.491   52.695   84.740  151.092   41.805   77.898   30.309  108.235   15.945 -30.33672 34.24685 
1 1 1  -14    4   24 o  365.843   27.956  1743.64  253.463   0.0000   0.0000  1743.64  253.463  ?   ?   365.843   27.956 0.000000 27.95561 
1 1 1  -14    4   25 o   81.499   16.314   86.930   32.044  163.872   86.013   74.530   34.530  110.270   30.301   75.156   18.519 35.11371 35.51225 
1 1 1  -14    4   26 o  275.655   13.150  957.159   90.521  1080.02  170.427  908.878  106.837  289.039   23.824  267.575   16.064 21.46384 28.73378 
1 1 1  -14    4   27 o  434.712   17.408  2397.47  188.971  2392.38  336.281  2399.82  228.454  425.397   31.888  433.313   21.113 -7.915955 38.24400 
1 1 1  -14    4   28 o  202.057   12.866  516.458   64.581  657.902  137.023  476.065   73.224  224.507   24.858  193.436   15.283 31.07082 29.18017 
1 1 1  -14    4   29 f  367.652   14.961  1709.82  137.360  1879.30  253.777  1639.59  163.358  379.127   26.981  358.431   18.312 20.69638 32.60850 
1 1 1  -14    4   30 o  154.306   16.528  305.701   62.697  216.883  123.728  336.386   72.725  124.954   37.020  161.447   18.366 -36.49289 41.32491 
1 1 1  -14    4   31 o  339.303   15.059  1460.49  127.599  1621.50  242.320  1398.72  150.093  349.897   27.967  330.359   18.265 19.53754 33.40277 
1 1 1  -14    4   32 o  381.277   15.819  1851.91  150.617  1959.55  282.520  1809.17  178.026  381.672   29.881  374.717   19.088 6.955170 35.45725 
1 1 1  -14    4   33 o  131.778   13.938  223.106   45.171  316.025  134.022  211.198   47.978  147.420   36.580  127.795   15.341 19.62540 39.66615 
1 1 1  -14    4   34 o  155.098   14.409  309.651   55.170  174.025  145.339  332.485   59.634  111.708   40.468  160.545   15.050 -48.83641 43.17631 
1 1 1  -14    4   35 o  227.020   13.555  660.857   76.492  701.227  179.364  651.883   84.568  220.015   33.721  224.734   15.158 -4.719299 36.97128 
1 1 1  -14    4   36 o  109.066   29.862  174.147   83.713   0.0000   0.0000  174.147   83.713  ?   ?   109.066   29.862 0.000000 29.86173 
1 1 1  -14    4   37 o  124.678   14.818  203.798   45.230  235.929  152.839  200.714   47.351  119.195   41.674  123.355   15.730 -4.160316 44.54359 
1 1 1  -14    4   38 o  118.135   15.530  184.814   44.703  228.763  163.622  181.269   46.471  115.427   42.755  116.601   16.414 -1.173904 45.79752 
1 1 1  -14    4   39 o  140.119   14.313  257.801   49.378  337.680  180.068  251.306   51.346  133.160   45.289  137.922   15.158 -4.761993 47.75833 
1 1 1  -14    4   40 o  152.691   19.185  319.293   71.538   0.0000   0.0000  319.293   71.538  ?   ?   152.691   19.185 0.000000 19.18539 
1 1 1  -14    4   41 o  147.089   14.514  287.148   52.616  256.280  208.066  289.256   54.383  110.253   45.825  147.347   14.989 -37.09406 48.21409 
1 1 1  -14    4   42 o   82.015   17.788   94.655   35.383  150.936  211.204   93.029   35.891   94.308   42.499   81.113   18.170 13.19508 46.22032 
1 1 1  -14    5    1 f  395.542   13.685  1962.00  135.173  2080.89  190.923  1842.51  191.404  406.564   18.805  381.823   20.146 24.74124 27.55867 
1 1 1  -14    5    2 o  126.458   9.8733  201.324   30.932  198.217   42.546  204.809   45.050  124.966   13.868  126.963   14.467 -1.996895 20.04029 
1 1 1  -14    5    3 o  156.465   9.7609  307.508   37.948  340.377   53.024  272.994   54.333  164.286   13.032  146.738   15.040 17.54872 19.90043 
1 1 1  -14    5    4 f  182.492   9.3973  417.737   42.680  419.340   59.393  416.025   61.371  182.448   13.124  181.658   13.628 0.7900238 18.91990 
1 1 1  -14    5    5 o  378.430   13.347  1795.16  126.135  1820.05  178.033  1770.07  178.733  380.319   18.746  374.516   19.175 5.802185 26.81591 
1 1 1  -14    5    6 f  344.204   12.604  1484.53  108.338  1540.42  152.984  1428.30  153.444  350.051   17.501  336.474   18.331 13.57767 25.34396 
1 1 1  -14    5    7 o  186.606   10.079  437.044   46.791  457.955   65.451  415.185   66.919  190.605   13.845  181.292   14.914 9.312683 20.34992 
1 1 1  -14    5    8 o  348.807   12.643  1524.74  110.124  1510.93  155.385  1538.67  156.096  346.104   18.041  349.293   17.957 -3.188568 25.45409 
1 1 1  -14    5    9 o  430.835   14.697  2329.58  158.117  2257.99  223.052  2401.89  224.174  423.009   21.116  436.397   20.571 -13.38797 29.47944 
1 1 1  -14    5   10 o  192.700   9.8100  465.947   47.050  463.208   65.703  468.829   67.408  191.665   13.820  192.791   14.099 -1.126495 19.74298 
1 1 1  -14    5   11 o  368.398   13.219  1702.26  121.607  1628.40  171.440  1777.04  172.522  358.922   19.197  375.610   18.393 -16.68796 26.58647 
1 1 1  -14    5   12 o  310.792   11.994  1210.79   93.085  1236.30  131.315  1185.03  131.973  313.005   16.862  306.338   17.323 6.666626 24.17466 
1 1 1  -14    5   13 o  392.841   13.939  1937.80  136.744  1926.86  192.939  1948.84  193.834  390.110   19.871  392.339   19.849 -2.229614 28.08624 
1 1 1  -14    5   14 f  209.140   9.9351  547.805   51.887  546.034   72.798  549.633   73.974  208.010   14.098  208.669   14.282 -0.6589508 20.06816 
1 1 1  -14    5   15 o  178.311   13.448  401.599   59.440  481.218   90.253  340.611   78.991  194.296   18.838  162.953   19.820 31.34384 27.34422 
1 1 1  -14    5   16 o   76.753   17.540   77.282   32.883   40.966   56.455   95.930   40.453   66.094   24.984   85.422   19.406 -19.32800 31.63520 
1 1 1  -14    5   17 o  140.313   11.753  248.809   40.800  320.747   78.409  222.099   47.778  157.801   20.374  132.031   14.743 25.77011 25.14840 
1 1 1  -14    5   18 o  132.752   12.721  223.453   41.656  237.389   48.331  183.196   82.142  136.586   14.386  117.001   28.400 19.58479 31.83632 
1 1 1  -14    5   19 o  431.193   14.514  2341.95  156.277  2360.38  220.962  2323.50  221.056  431.006   20.530  427.562   20.704 3.443481 29.15685 
1 1 1  -14    5   20 o  159.499   9.6817  320.090   38.380  328.755   54.331  311.460   54.223  161.054   13.637  156.665   14.008 4.389267 19.54961 
1 1 1  -14    5   21 o  259.962   11.379  848.705   73.870  920.684  104.785  777.592  104.154  269.636   15.629  247.404   16.961 22.23140 23.06389 
1 1 1  -14    5   22 o  334.610   13.936  1410.50  116.444  1561.38  209.566  1343.11  140.055  348.156   24.256  325.298   17.303 22.85776 29.79519 
1 1 1  -14    5   23 o  200.734   12.614  508.847   62.908  493.159  120.399  514.738   73.780  194.296   25.425  201.480   14.767 -7.183578 29.40199 
1 1 1  -14    5   24 f  298.437   16.557  1130.11  122.905   0.0000   0.0000  1130.11  122.905  ?   ?   298.437   16.557 0.000000 16.55666 
1 1 1  -14    5   25 o  132.038   26.579  232.609   84.603   0.0000   0.0000  232.609   84.603  ?   ?   132.038   26.579 0.000000 26.57871 
1 1 1  -14    5   26 o  172.915   12.683  378.330   54.384  440.041  114.902  360.514   61.738  183.047   25.857  168.357   14.837 14.69040 29.81105 
1 1 1  -14    5   27 o  459.900   17.704  2684.18  203.317  2950.69  362.728  2562.09  245.511  473.634   30.836  447.371   21.976 26.26257 37.86588 
1 1 1  -14    5   28 o  197.203   12.756  491.860   62.483  577.945  132.844  467.405   70.804  209.941   25.888  191.765   14.903 18.17606 29.87060 
1 1 1  -14    5   29 o  257.936   13.751  842.012   88.253  852.841  173.050  838.206  102.599  254.524   27.672  256.719   16.085 -2.194809 32.00784 
1 1 1  -14    5   30 o  133.345   14.433  227.385   47.294  241.732  117.218  224.595   51.688  131.855   35.012  132.164   15.986 -0.3089905 38.48877 
1 1 1  -14    5   31 o  116.504   16.508  175.839   46.682  375.719  123.098  142.266   50.451  165.952   30.839  103.645   20.219 62.30645 36.87624 
1 1 1  -14    5   32 o  115.366   15.296  171.977   42.979  240.519  125.292  162.836   45.756  129.957   36.890  111.791   16.919 18.16661 40.58521 
1 1 1  -14    5   33 o  254.543   14.569  827.001   92.224  704.060  188.742  865.560  105.701  223.681   34.932  259.689   16.384 -36.00749 38.58320 
1 1 1  -14    5   34 o  158.067   13.603  320.217   53.170  278.524  143.292  326.874   57.257  136.109   39.704  159.424   14.542 -23.31412 42.28362 
1 1 1  -14    5   35 o  180.830   13.548  419.620   60.731  512.454  159.843  403.958   65.655  186.699   35.584  176.865   15.007 9.834015 38.61888 
1 1 1  -14    5   36 o  206.059   15.652  551.451   79.938   0.0000   0.0000  551.451   79.938  ?   ?   206.059   15.652 0.000000 15.65200 
1 1 1  -14    5   37 o  266.388   20.807  952.828  137.314  873.546  224.914  999.937  173.375  235.031   39.738  267.499   26.294 -32.46806 47.64986 
1 1 1  -14    5   38 o   81.092   17.732   89.753   34.906  296.214  159.073   79.309   35.778  130.505   42.524   75.846   18.946 54.65868 46.55375 
1 1 1  -14    5   39 o  147.151   14.241  283.508   51.676  293.656  182.737  282.626   53.875  125.380   45.384  146.590   14.925 -21.21037 47.77523 
1 1 1  -14    5   40 o   94.723   41.022  112.753  178.811  112.753  178.811   0.0000   0.0000   94.723   41.022  ?   ?  0.000000 41.02171 
1 1 1  -14    5   41 o  126.738   17.530  218.767   53.996  569.074  204.522  192.520   55.983  168.092   46.929  117.474   19.787 50.61754 50.93025 
1 1 1  -14    5   42 o   28.320   12.960 -12.2646   20.596  220.250  203.953 -14.6602   20.702  103.547   44.313   27.719   12.797 75.82838 46.12388 
1 1 1  -14    6    1 o  259.296   10.694  841.964   69.245  811.879   97.188  872.983   98.685  253.761   15.410  263.224   15.076 -9.462204 21.55803 
1 1 1  -14    6    2 o  141.763   9.7796  252.716   34.409  275.496   47.935  228.501   49.422  147.646   13.138  134.078   15.019 13.56763 19.95450 
1 1 1  -14    6    3 o  289.019   11.165  1046.16   80.578  1116.58  113.496  974.591  114.419  297.802   15.314  277.967   16.559 19.83502 22.55428 
1 1 1  -14    6    4 o  245.404   10.382  753.899   63.626  767.125   89.448  740.353   90.522  246.811   14.578  242.386   15.029 4.425323 20.93783 
1 1 1  -14    6    5 o  375.827   13.220  1771.00  124.072  1829.27  175.120  1712.26  175.810  381.214   18.396  368.205   19.187 13.00943 26.58095 
1 1 1  -14    6    6 o  530.622   16.955  3539.89  224.663  3521.06  317.277  3558.82  318.168  527.364   24.092  530.203   24.031 -2.838684 34.02796 
1 1 1  -14    6    7 f  464.462   15.627  2709.54  181.246  2784.98  256.156  2633.90  256.485  469.561   21.845  456.488   22.500 13.07367 31.36043 
1 1 1  -14    6    8 o  193.847   9.9085  471.542   47.804  490.392   66.893  451.866   68.341  197.259   13.664  189.186   14.578 8.072769 19.98057 
1 1 1  -14    6    9 o  477.033   15.669  2859.04  186.652  2820.14  263.487  2898.22  264.447  472.266   22.342  478.819   22.117 -6.553131 31.43733 
1 1 1  -14    6   10 o  329.880   12.339  1364.17  101.644  1358.52  143.197  1369.90  144.301  328.072   17.542  329.435   17.605 -1.363129 24.85275 
1 1 1  -14    6   11 o  176.887   9.8779  392.930   43.458  388.401   60.488  397.763   62.479  175.363   13.928  177.433   14.220 -2.070618 19.90467 
1 1 1  -14    6   12 o  214.611   10.442  576.883   55.963  590.320   78.608  563.073   79.689  216.283   14.641  211.120   15.217 5.163712 21.11681 
1 1 1  -14    6   13 o   77.533   12.267   77.227   22.960   89.378   31.503   63.461   33.532   82.942   15.787   69.752   18.817 13.19080 24.56221 
1 1 1  -14    6   14 o  196.514   13.817  487.493   67.374  537.734  100.135  445.938   91.070  205.324   19.774  186.796   19.827 18.52821 28.00206 
1 1 1  -14    6   15 o  147.475   13.995  275.780   50.923  260.000   77.976  287.515   67.243  141.342   22.874  149.806   18.359 -8.463638 29.33013 
1 1 1  -14    6   16 o  153.574   13.713  298.797   52.037  359.072   81.046  256.519   67.876  167.285   19.784  141.014   19.823 26.27065 28.00647 
1 1 1  -14    6   17 o  167.488   11.044  353.405   45.932  335.964   74.674  364.019   58.256  161.893   18.822  169.567   13.879 -7.673431 23.38620 
1 1 1  -14    6   18 o  291.526   11.274  1066.59   82.075  1016.34  115.279  1118.24  116.881  283.322   16.363  297.366   15.797 -14.04434 22.74399 
1 1 1  -14    6   19 o  236.067   11.033  699.372   65.042  728.665   91.738  669.765   92.230  239.904   15.394  229.795   16.176 10.10854 22.33017 
1 1 1  -14    6   20 o  256.661   11.005  826.843   70.532  866.034   99.779  787.702   99.716  261.593   15.341  249.267   16.106 12.32544 22.24294 
1 1 1  -14    6   21 o  303.659   12.053  1158.80   91.399  1240.40  129.758  1078.46  128.763  312.818   16.671  291.316   17.785 21.50137 24.37693 
1 1 1  -14    6   22 f  176.342   10.059  391.327   44.114  407.195   62.820  375.889   61.962  179.222   14.152  172.074   14.556 7.147552 20.30152 
1 1 1  -14    6   23 o   85.040   12.312   92.787   25.384  113.259   35.633   71.694   36.171   93.444   15.836   73.792   19.380 19.65196 25.02708 
1 1 1  -14    6   24 o  137.174   12.756  238.772   43.194  307.079   96.767  221.775   48.270  152.321   26.396  131.753   14.935 20.56775 30.32857 
1 1 1  -14    6   25 o  318.979   26.027  1320.28  205.511   0.0000   0.0000  1320.28  205.511  ?   ?   318.979   26.027 0.000000 26.02696 
1 1 1  -14    6   26 o  212.490   12.516  570.118   66.121  693.071  132.814  529.602   76.241  231.400   23.301  204.258   15.053 27.14198 27.74083 
1 1 1  -14    6   27 o  177.383   13.467  398.768   59.208  491.667  123.921  371.288   67.399  193.415   26.342  170.594   16.008 22.82124 30.82481 
1 1 1  -14    6   28 o  339.465   14.670  1455.50  124.356  1664.18  231.062  1370.42  147.548  357.764   26.042  327.947   18.087 29.81671 31.70665 
1 1 1  -14    6   29 o  163.303   13.250  338.416   53.566  345.350  124.147  336.830   59.378  159.178   32.335  162.600   14.785 -3.421432 35.55529 
1 1 1  -14    6   30 o  192.098   13.706  468.272   65.319  497.792  144.803  460.731   73.188  192.025   31.274  190.099   15.554 1.926559 34.92788 
1 1 1  -14    6   31 o  213.476   16.050  581.859   84.935  670.311  153.587  542.893  101.941  224.452   28.012  204.846   20.191 19.60675 34.53015 
1 1 1  -14    6   32 o  221.924   15.644  629.196   86.144  881.497  161.350  528.604  101.880  258.478   25.323  201.642   20.519 56.83565 32.59214 
1 1 1  -14    6   33 o  190.921   14.137  465.436   66.921  449.802  153.577  469.100   74.352  177.724   35.841  191.182   15.713 -13.45811 39.13415 
1 1 1  -14    6   34 o  103.247   15.940  139.435   39.774  212.588  129.727  131.844   41.787  120.779   38.312   99.930   17.376 20.84912 42.06816 
1 1 1  -14    6   35 o  234.979   13.301  705.839   77.726  879.711  179.520  665.726   86.227  252.064   29.052  227.339   15.277 24.72534 32.82391 
1 1 1  -14    6   36 o  322.449   14.572  1335.89  117.337  1654.01  244.255  1240.46  133.785  344.335   28.667  308.415   17.442 35.91974 33.55617 
1 1 1  -14    6   37 o  200.057   26.916  562.546  131.057   0.0000   0.0000  562.546  131.057  ?   ?   200.057   26.916 0.000000 26.91648 
1 1 1  -14    6   38 o   59.883   18.735   47.651   31.125   12.978  156.669   49.076   31.758   82.452   36.924   60.685   18.915 21.76729 41.48658 
1 1 1  -14    6   39 f  196.280   14.650  503.192   71.288   0.0000   0.0000  503.192   71.288  ?   ?   196.280   14.650 0.000000 14.64980 
1 1 1  -14    6   40 o  151.580   14.407  301.732   53.879  610.705  201.189  277.861   55.922  184.019   44.311  144.738   15.725 39.28082 47.01887 
1 1 1  -14    6   41 o   66.823   18.802   62.274   32.696  101.612  193.504   61.118   33.173   93.278   41.452   66.218   19.043 27.05999 45.61722 
1 1 1  -14    6   42 f   78.696   20.002   88.579   39.391   96.114  211.290   88.308   40.094   91.502   41.736   78.460   20.307 13.04256 46.41372 
1 1 1  -14    7    1 o  306.837   11.635  1180.12   89.149  1149.81  125.408  1211.10  126.756  301.798   16.705  309.813   16.443 -8.014709 23.43990 
1 1 1  -14    7    2 o  179.828   9.8507  406.069   44.068  409.040   61.248  402.879   63.454  180.010   13.729  178.551   14.353 1.458878 19.86135 
1 1 1  -14    7    3 o  697.066   21.821  6145.29  379.835  6140.24  536.859  6150.35  537.479  692.267   31.055  692.831   31.066 -0.5640259 43.92626 
1 1 1  -14    7    4 o  230.529   10.407  665.463   59.908  735.265   84.213  593.945   85.242  241.635   14.016  216.810   15.854 24.82494 21.16170 
1 1 1  -14    7    5 o  322.995   11.572  1307.21   93.341  1269.45  131.222  1345.89  132.799  317.278   16.620  327.179   16.254 -9.900665 23.24684 
1 1 1  -14    7    6 o  477.578   15.726  2866.33  187.551  2940.44  265.065  2792.03  265.409  482.218   22.012  469.724   22.627 12.49411 31.56733 
1 1 1  -14    7    7 o  303.231   11.717  1152.24   88.727  1192.32  125.001  1111.53  125.962  307.511   16.337  296.745   17.070 10.76535 23.62793 
1 1 1  -14    7    8 o  376.899   13.205  1781.96  124.286  1809.57  175.484  1754.16  176.052  378.952   18.544  372.555   18.986 6.397491 26.53982 
1 1 1  -14    7    9 o  230.892   10.280  667.567   59.272  665.538   83.071  669.671   84.598  229.756   14.554  230.437   14.779 -0.6806335 20.74231 
1 1 1  -14    7   10 o  463.225   15.637  2697.66  180.882  2760.73  255.553  2634.34  256.058  467.071   21.910  456.093   22.482 10.97748 31.39265 
1 1 1  -14    7   11 o  141.555   10.034  252.176   35.238  269.757   49.166  233.606   50.531  145.962   13.647  135.494   15.196 10.46722 20.42482 
1 1 1  -14    7   12 o  196.329   10.080  484.024   49.255  494.007   68.734  473.486   70.617  197.832   14.004  193.547   14.721 4.285248 20.31786 
1 1 1  -14    7   13 o  276.481   12.806  959.455   88.417  943.240  108.893  990.832  151.477  273.274   16.027  278.740   21.939 -5.466400 27.16975 
1 1 1  -14    7   14 o  127.234   14.026  205.884   43.825  243.699   68.495  179.674   57.024  137.272   20.619  117.570   20.148 19.70242 28.82810 
1 1 1  -14    7   15 o  224.872   15.031  639.206   83.918  476.020  121.403  788.521  116.128  191.329   26.090  249.062   18.810 -57.73308 32.16360 
1 1 1  -14    7   16 o  325.053   24.468  1355.82  197.152   0.0000   0.0000  1355.82  197.152  ?   ?   325.053   24.468 0.000000 24.46774 
1 1 1  -14    7   17 o  244.834   15.171  758.021   92.296  758.021   92.296   0.0000   0.0000  244.834   15.171  ?   ?  0.000000 15.17064 
1 1 1  -14    7   18 o  492.284   16.145  3058.20  198.470  2974.63  280.242  3142.29  281.118  482.782   23.245  496.461   22.675 -13.67938 32.47316 
1 1 1  -14    7   19 f  123.220   10.356  191.767   31.569  179.083   43.676  205.642   45.681  118.252   15.138  126.932   14.683 -8.680275 21.08903 
1 1 1  -14    7   20 o  156.615   10.168  308.920   39.551  317.042   55.674  300.645   56.198  158.020   14.262  153.745   14.821 4.275848 20.56897 
1 1 1  -14    7   21 o  263.798   11.513  874.067   75.839  878.174  107.199  869.951  107.307  263.126   16.396  261.862   16.494 1.264130 23.25707 
1 1 1  -14    7   22 f  304.864   12.311  1168.57   93.721  1149.57  132.208  1187.77  132.877  300.773   17.680  305.807   17.473 -5.034485 24.85710 
1 1 1  -14    7   23 f  338.721   12.893  1443.75  109.054  1511.17  154.613  1377.01  153.841  344.817   18.018  328.851   18.812 15.96606 26.04886 
1 1 1  -14    7   24 o  134.647   10.661  229.001   35.555  230.820   50.404  227.200   50.162  134.376   15.293  133.293   15.350 1.082169 21.66832 
1 1 1  -14    7   25 o  193.247   23.782  485.668  112.344   0.0000   0.0000  485.668  112.344  ?   ?   193.247   23.782 0.000000 23.78217 
1 1 1  -14    7   26 o  496.697   35.344  3285.57  435.529   0.0000   0.0000  3285.57  435.529  ?   ?   496.697   35.344 0.000000 35.34422 
1 1 1  -14    7   27 o  189.677   13.266  455.428   62.439  424.703  127.519  465.117   71.611  178.372   29.671  191.310   15.113 -12.93724 33.29776 
1 1 1  -14    7   28 o  107.450   15.353  148.799   40.024  147.159  104.921  149.078   43.298  106.152   34.533  107.257   16.710 -1.105606 38.36357 
1 1 1  -14    7   29 o  117.594   15.275  177.718   43.795  183.741  111.192  176.612   47.647  116.389   35.234  116.876   16.809 -0.4865265 39.03817 
1 1 1  -14    7   30 o  168.409   13.402  360.108   55.897  495.011  131.420  330.313   61.762  192.887   28.110  160.767   15.580 32.11949 32.13909 
1 1 1  -14    7   31 o  382.456   15.666  1855.70  149.622  2164.80  279.404  1731.43  177.165  405.472   27.761  367.420   19.378 38.05194 33.85553 
1 1 1  -14    7   32 o  131.910   16.391  224.731   52.828  375.513  128.586  194.113   57.944  164.832   32.395  121.520   19.775 43.31213 37.95309 
1 1 1  -14    7   33 o  261.131   14.986  870.312   97.316  753.166  196.170  908.552  112.080  232.114   34.926  266.024   16.960 -33.90941 38.82602 
1 1 1  -14    7   34 o  105.651   16.425  146.140   41.926  229.503  136.295  137.427   44.062  125.117   39.216  101.941   17.965 23.17616 43.13506 
1 1 1  -14    7   35 o   58.487   18.581   43.944   30.505  175.640  135.518   36.915   31.308  111.134   39.213   55.195   18.884 55.93913 43.52276 
1 1 1  -14    7   36 o  143.086   14.722  265.458   51.853  295.314  147.928  261.276   55.365  136.955   40.454  141.497   15.947 -4.541565 43.48330 
1 1 1  -14    7   37 o   79.532   18.542   86.131   36.146  140.677  148.359   82.689   37.270  101.906   39.976   77.752   19.288 24.15430 44.38610 
1 1 1  -14    7   38 o  163.268   29.453  388.536  115.664   0.0000   0.0000  388.536  115.664  ?   ?   163.268   29.453 0.000000 29.45277 
1 1 1  -14    7   39 o  131.443   29.046  256.279   92.799  373.288  185.764  217.368  107.124  142.323   45.920  117.326   34.360 24.99678 57.35199 
1 1 1  -14    7   40 o  178.572   14.603  417.805   64.547  463.940  202.132  412.566   68.113  154.601   47.643  176.874   15.580 -22.27292 50.12621 
1 1 1  -14    7   41 o   97.301   17.575  129.551   41.132 -133.4302  194.149  141.909   42.088   73.542   35.453  102.162   17.102 -28.61979 39.36200 
1 1 1  -14    7   42 o   53.583   19.033   35.904   31.979   91.282  211.683   34.610   32.351   91.997   41.889   53.092   19.113 38.90501 46.04345 
1 1 1  -14    7   43 o  106.424   16.672  155.472   42.853  239.812  235.966  152.595   43.578  103.911   45.995  105.125   17.195 -1.214371 49.10427 
1 1 1  -14    8    1 o  345.444   17.873  1509.32  153.652  1309.25  217.556  1708.45  217.039  318.792   27.601  365.792   23.892 -47.00012 36.50488 
1 1 1  -14    8    2 f  228.664   14.561  659.793   82.712  579.506  117.816  737.820  116.146  212.619   22.533  240.904   19.473 -28.28525 29.78179 
1 1 1  -14    8    3 o  545.949   25.195  3793.36  343.493  3570.00  485.995  4016.31  485.550  522.496   37.497  555.822   35.163 -33.32617 51.40514 
1 1 1  -14    8    4 o  313.599   11.697  1232.91   91.602  1270.72  129.072  1194.54  130.024  317.350   16.342  307.533   16.997 9.817749 23.57909 
1 1 1  -14    8    5 o  311.133   11.651  1213.49   90.527  1234.95  127.279  1191.52  128.783  312.857   16.348  307.191   16.852 5.665894 23.47907 
1 1 1  -14    8    6 f  511.469   16.713  3292.83  213.466  3275.27  301.325  3310.52  302.453  508.023   23.752  510.763   23.713 -2.740356 33.56290 
1 1 1  -14    8    7 o  227.914   10.495  650.656   59.730  704.779   84.159  595.720   84.788  236.453   14.320  217.089   15.747 19.36398 21.28513 
1 1 1  -14    8    8 o  474.203   15.870  2828.45  187.933  2980.24  265.570  2676.20  265.985  485.146   21.921  458.762   23.294 26.38422 31.98651 
1 1 1  -14    8    9 o  213.055   9.9439  568.442   52.905  586.210   74.014  549.878   75.651  215.630   13.818  208.692   14.609 6.938248 20.10840 
1 1 1  -14    8   10 o  356.801   13.109  1597.89  116.804  1629.39  164.842  1566.12  165.532  358.924   18.454  351.754   18.914 7.170532 26.42525 
1 1 1  -14    8   11 o  204.284   10.327  524.134   52.510  517.441   72.857  531.369   75.747  202.393   14.512  205.050   14.895 -2.656647 20.79519 
1 1 1  -14    8   12 o  145.959   14.132  270.186   50.865  211.548   76.107  317.519   68.379  126.794   24.925  157.714   17.666 -30.91977 30.55075 
1 1 1  -14    8   13 o  242.707   15.345  744.266   92.525  609.164  133.377  869.595  128.462  217.237   25.045  261.447   19.824 -44.21011 31.94131 
1 1 1  -14    8   14 o  322.041   17.537  1312.77  140.500  1064.36  200.184  1553.92  197.242  286.645   28.337  348.892   22.764 -62.24689 36.34821 
1 1 1  -14    8   15 o  181.139   14.249  415.254   63.935  363.539   94.780  458.436   86.608  167.454   23.297  189.543   18.535 -22.08824 29.77048 
1 1 1  -14    8   16 f  115.090   10.875  167.601   30.885  157.306   42.044  179.669   45.518  110.658   15.652  118.373   15.792 -7.715004 22.23440 
1 1 1  -14    8   17 o  265.443   11.169  884.183   74.037  893.717  104.069  874.411  105.352  265.762   15.751  262.780   16.133 2.981659 22.54697 
1 1 1  -14    8   18 o  487.512   16.503  3001.31  200.910  3126.19  283.983  2876.17  284.276  494.942   22.977  473.655   24.114 21.28683 33.30770 
1 1 1  -14    8   19 o  147.959   9.8776  275.697   36.286  260.879   50.593  291.395   52.072  143.217   14.339  151.513   13.918 -8.296066 19.98296 
1 1 1  -14    8   20 o  113.654   10.714  163.519   30.049  163.326   41.361  163.735   43.729  112.841   15.053  112.801   15.970 0.4001617E-01 21.94660 
1 1 1  -14    8   21 o   91.321   11.513  106.381   25.671   83.678   34.417  134.850   38.541   79.770   17.737  102.234   15.590 -22.46337 23.61431 
1 1 1  -14    8   22 o  314.384   12.943  1243.64  101.610  1197.89  143.329  1289.87  144.071  306.692   18.805  318.486   18.190 -11.79407 26.16359 
1 1 1  -14    8   23 o  196.918   11.011  488.427   53.927  501.900   75.799  474.618   76.738  198.809   15.388  193.153   16.055 5.655273 22.23838 
1 1 1  -14    8   24 o  191.431   10.459  461.308   49.809  474.699   69.882  447.481   71.012  193.469   14.571  187.661   15.286 5.808212 21.11850 
1 1 1  -14    8   25 o  256.052   12.755  825.102   81.558  940.788  135.737  759.741  102.028  271.107   20.195  244.439   16.817 26.66853 26.27989 
1 1 1  -14    8   26 o  142.710   27.197  271.535   93.386   0.0000   0.0000  271.535   93.386  ?   ?   142.710   27.197 0.000000 27.19733 
1 1 1  -14    8   27 o  146.233   13.603  271.792   49.105  346.106  108.649  252.715   55.048  161.224   28.002  140.480   15.976 20.74361 32.23919 
1 1 1  -14    8   28 o  178.895   13.245  405.466   58.750  490.285  125.944  381.876   66.419  192.853   26.883  173.108   15.530 19.74507 31.04605 
1 1 1  -14    8   29 o  318.280   14.345  1279.33  114.018  1510.34  215.930  1190.02  134.261  340.806   25.558  305.594   17.669 35.21243 31.07106 
1 1 1  -14    8   30 o  222.484   13.365  626.768   73.911  841.558  155.685  564.271   83.979  253.918   24.872  210.384   16.107 43.53398 29.63222 
1 1 1  -14    8   31 o  236.510   13.873  709.472   81.577  796.000  170.544  683.800   92.894  244.782   28.430  231.531   16.168 13.25069 32.70549 
1 1 1  -14    8   32 o  292.939   14.765  1091.05  107.663  1125.32  208.177  1078.54  125.793  290.224   29.117  290.228   17.438 -0.3662109E-02 33.93901 
1 1 1  -14    8   33 o  196.300   16.896  495.930   82.018  451.017  156.148  513.043   96.386  178.037   36.351  198.642   19.690 -20.60539 41.34140 
1 1 1  -14    8   34 o   79.996   18.774   85.751   36.860   53.817  132.971   88.409   38.363   88.091   36.625   81.162   19.224 6.929535 41.36421 
1 1 1  -14    8   35 o   86.252   17.608   99.288   36.642  276.623  139.100   86.065   37.984  135.358   39.014   79.865   19.267 55.49332 43.51264 
1 1 1  -14    8   36 o   48.765   18.093   24.860   29.324  139.849  138.475   19.461   30.005  102.616   39.048   46.729   18.076 55.88662 43.02837 
1 1 1  -14    8   37 o  117.644   15.386  181.508   44.117  256.093  156.977  175.111   45.970  125.632   42.288  115.132   16.458 10.50066 45.37747 
1 1 1  -14    8   38 o  146.312   16.137  281.673   57.978   0.0000   0.0000  281.673   57.978  ?   ?   146.312   16.137 0.000000 16.13667 
1 1 1  -14    8   39 o   83.342   37.815   1.8922  170.580   1.8922  170.580   0.0000   0.0000   83.342   37.815  ?   ?  0.000000 37.81451 
1 1 1  -14    8   40 o  173.676   15.133  396.213   64.978  172.602  202.600  421.851   68.601  106.035   44.721  179.031   15.497 -72.99519 47.33010 
1 1 1  -14    8   41 o   55.648   18.495   40.444   30.037   20.365  189.345   40.962   30.422   85.609   39.222   55.978   18.614 29.63060 43.41466 
1 1 1  -14    8   42 o   74.035   19.144   77.277   35.656  218.715  212.592   73.183   36.168  106.783   45.458   71.961   19.598 34.82205 49.50232 
1 1 1  -14    8   43 o   86.870   20.163  108.285   42.896  255.146  231.993  103.086   43.649  106.917   46.514   84.391   20.837 22.52577 50.96769 
1 1 1  -14    9    1 o   85.501   11.985   93.522   24.887   71.051   33.504  121.182   37.172   73.554   18.312   96.832   15.926 -23.27771 24.26880 
1 1 1  -14    9    2 o  146.193   9.8599  268.973   35.785  240.402   49.062  301.453   52.310  137.501   14.507  154.272   13.722 -16.77058 19.96871 
1 1 1  -14    9    3 o   89.919   16.157  104.889   34.945   78.466   51.634  127.220   47.468   78.409   24.066   98.548   19.973 -20.13895 31.27430 
1 1 1  -14    9    4 o  274.265   15.718  949.973  107.202  800.189  152.112  1097.78  151.106  249.470   24.744  293.716   20.735 -44.24559 32.28289 
1 1 1  -14    9    5 o  344.971   17.926  1505.44  153.892  1355.61  218.295  1653.47  216.984  324.542   27.186  359.670   24.301 -35.12790 36.46395 
1 1 1  -14    9    6 o  237.039   14.757  709.169   86.918  677.359  124.591  739.327  121.315  230.132   21.946  240.901   20.357 -10.76910 29.93368 
1 1 1  -14    9    7 o  310.465   16.738  1217.80  129.288  1193.06  184.116  1241.88  181.591  305.292   24.353  311.774   23.497 -6.481903 33.84042 
1 1 1  -14    9    8 o  275.415   15.585  957.528  106.751  996.630  152.848  920.291  149.158  279.496   22.079  268.412   22.460 11.08472 31.49490 
1 1 1  -14    9    9 o  186.161   13.630  437.627   62.922  509.892   92.570  375.562   85.788  200.088   18.745  171.092   20.487 28.99637 27.76837 
1 1 1  -14    9   10 o  163.236   14.072  337.324   56.803  277.582   83.982  387.699   77.118  145.938   23.870  174.385   17.966 -28.44710 29.87594 
1 1 1  -14    9   11 o  247.934   15.447  776.683   95.164  614.761  136.631  929.244  132.623  218.089   25.573  270.316   19.784 -52.22672 32.33298 
1 1 1  -14    9   12 o  309.837   16.843  1214.01  129.827  1179.70  185.806  1246.74  181.477  303.197   24.757  312.169   23.451 -8.972198 34.10057 
1 1 1  -14    9   13 o  420.325   20.675  2240.03  217.010  2025.03  308.167  2451.53  305.644  394.561   31.540  436.037   28.221 -41.47577 42.32296 
1 1 1  -14    9   14 f  205.675   14.685  535.091   74.927  428.544  109.281  629.610  102.929  181.640   24.736  222.346   18.712 -40.70538 31.01594 
1 1 1  -14    9   15 o  270.120   16.367  923.778  109.878   0.0000   0.0000  923.778  109.878  ?   ?   270.120   16.367 0.000000 16.36659 
1 1 1  -14    9   16 f  137.359   11.276  238.353   38.337  233.576   47.339  247.456   65.351  135.502   14.201  138.442   19.439 -2.940475 24.07365 
1 1 1  -14    9   17 o  406.897   14.112  2084.37  143.388  2008.32  201.946  2161.70  203.628  397.122   20.433  412.750   19.756 -15.62756 28.42205 
1 1 1  -14    9   18 o  180.738   10.097  410.909   45.390  391.988   63.046  431.271   65.402  175.815   14.489  184.503   14.307 -8.688675 20.36203 
1 1 1  -14    9   19 o  138.964   10.826  243.802   37.271  269.826   52.250  216.842   53.180  145.623   14.564  129.947   16.780 15.67566 22.21870 
1 1 1  -14    9   20 o  176.108   9.9505  390.185   43.581  353.870   60.717  428.776   62.590  166.910   14.718  184.039   13.718 -17.12872 20.11935 
1 1 1  -14    9   21 o  207.619   10.054  540.707   52.126  518.178   72.759  564.464   74.715  202.240   14.503  211.173   14.252 -8.933456 20.33360 
1 1 1  -14    9   22 o  242.129   10.444  735.736   63.151  699.975   88.833  772.271   89.791  235.028   15.218  247.048   14.620 -12.02046 21.10229 
1 1 1  -14    9   23 o   96.714   11.771  119.259   27.843  112.261   37.888  127.476   41.053   92.789   16.977   98.972   17.237 -6.183548 24.19374 
1 1 1  -14    9   24 o  209.507   11.264  552.958   58.717  559.269   82.650  546.527   83.431  209.789   15.895  207.291   16.248 2.498672 22.72928 
1 1 1  -14    9   25 o  165.197   10.531  343.958   43.216  335.319   61.031  352.647   61.203  162.266   15.240  166.517   14.875 -4.250931 21.29623 
1 1 1  -14    9   26 o  108.353   16.022  151.542   42.045  154.316   48.714  143.442   83.254  108.786   18.600  103.666   30.271 5.119583 35.52897 
1 1 1  -14    9   27 o  378.411   20.414  1831.19  192.192  1930.74  276.159  1737.69  267.642  384.055   29.009  363.836   29.717 20.21927 41.52851 
1 1 1  -14    9   28 f  219.511   13.294  609.457   72.528  614.437  145.616  607.813   83.641  215.950   27.637  218.733   15.411 -2.783585 31.64329 
1 1 1  -14    9   29 o  139.729   14.612  249.256   50.231  249.050  115.295  249.304   55.806  134.406   34.252  139.362   16.346 -4.956955 37.95222 
1 1 1  -14    9   30 o  136.880   15.348  240.034   51.558  160.771  122.767  257.007   56.811  110.979   37.397  141.449   16.387 -30.47003 40.82961 
1 1 1  -14    9   31 o  269.960   13.819  923.503   92.850  966.927  184.820  908.843  107.385  270.423   27.763  267.080   16.177 3.343323 32.13198 
1 1 1  -14    9   32 o  227.526   15.650  660.738   88.378  395.793  175.156  751.226  102.363  164.667   42.355  242.201   17.033 -77.53427 45.65157 
1 1 1  -14    9   33 o  266.347   17.851  912.808  118.040  862.444  195.029  941.924  148.285  251.039   31.825  268.375   22.329 -17.33609 38.87682 
1 1 1  -14    9   34 o  126.602   15.515  207.517   48.023  264.104  139.766  199.943   51.136  133.779   39.267  123.805   16.988 9.974281 42.78400 
1 1 1  -14    9   35 o  112.359   15.835  164.839   43.199  282.199  140.981  152.678   45.382  136.742   39.238  107.548   17.499 29.19450 42.96320 
1 1 1  -14    9   36 o   71.553   18.856   69.183   34.165 -22.1355  138.162   75.130   35.260   76.656   34.475   74.500   18.918 2.156342 39.32424 
1 1 1  -14    9   37 o   54.878   18.892   36.827   31.352  145.382  151.323   31.959   32.047  103.585   40.446   52.840   19.023 50.74479 44.69653 
1 1 1  -14    9   38 o   49.398   18.604   25.138   31.234 -25.5957  160.607   27.132   31.842   79.599   36.338   50.496   18.830 29.10295 40.92676 
1 1 1  -14    9   39 o   76.917   31.092   60.716   92.462   0.0000   0.0000   60.716   92.462  ?   ?    76.917   31.092 0.000000 31.09234 
1 1 1  -14    9   40 o   63.428   19.711   54.450   34.517 -51.3713  185.506   58.245   35.130   80.092   37.427   65.317   19.812 14.77500 42.34731 
1 1 1  -14    9   41 o   86.516   18.662  103.645   39.135  204.440  200.560   99.655   39.902  108.505   45.036   84.544   19.322 23.96127 49.00568 
1 1 1  -14    9   42 o   99.490   17.972  136.270   43.007   88.073  211.302  138.353   43.927   93.023   42.160  100.131   18.240 -7.108231 45.93591 
1 1 1  -14    9   43 o   80.851   19.583   93.166   39.119  393.293  237.184   84.774   39.662  124.823   50.029   76.813   20.351 48.01045 54.01034 
1 1 1  -14   10    1 f  228.434   10.460  654.480   59.669  652.414   83.291  656.659   85.521  227.100   14.767  227.770   15.122 -0.6700439 21.13614 
1 1 1  -14   10    2 o   36.277   14.406   8.6940   19.485  -4.0580   25.731   25.837   29.834   35.737   15.519   50.133   18.308 -14.39537 24.00072 
1 1 1  -14   10    3 o  340.803   12.321  1458.68  104.861  1412.33  147.317  1506.27  149.294  333.855   17.734  344.904   17.390 -11.04889 24.83742 
1 1 1  -14   10    4 o  161.083   10.024  326.443   40.120  286.129   55.332  371.135   58.259  150.025   14.969  171.263   13.738 -21.23779 20.31753 
1 1 1  -14   10    5 o  332.344   12.435  1386.93  103.203  1408.39  145.314  1365.09  146.597  333.539   17.508  328.241   17.953 5.297302 25.07628 
1 1 1  -14   10    6 o  229.244   10.362  658.721   59.321  636.732   82.799  681.912   85.030  224.448   14.857  232.331   14.732 -7.882507 20.92266 
1 1 1  -14   10    7 o  522.783   17.145  3448.43  223.820  3469.89  315.835  3426.78  317.227  521.692   24.244  518.324   24.509 3.368286 34.47348 
1 1 1  -14   10    8 o  503.136   16.619  3192.05  208.811  3251.54  294.876  3132.22  295.733  505.390   23.365  495.816   23.885 9.574280 33.41283 
1 1 1  -14   10    9 f  196.421   10.081  484.743   49.283  468.537   68.492  502.140   70.966  192.479   14.353  199.297   14.355 -6.818253 20.29993 
1 1 1  -14   10   10 o  180.728   9.9066  410.496   44.539  447.871   62.175  371.100   63.834  188.327   13.306  171.041   15.100 17.28566 20.12641 
1 1 1  -14   10   11 o  221.536   10.519  615.295   58.195  685.525   81.619  542.671   82.998  233.044   14.091  206.861   16.197 26.18379 21.46836 
1 1 1  -14   10   12 o  279.540   11.546  980.598   80.601  1122.93  113.687  836.755  114.290  298.191   15.319  256.714   17.941 41.47653 23.59149 
1 1 1  -14   10   13 o  235.347   11.041  694.836   64.887  776.277   91.511  612.485   92.020  247.853   14.854  219.640   16.907 28.21317 22.50522 
1 1 1  -14   10   14 o  115.595   13.123  170.098   37.210  148.649   67.900  179.304   44.484  105.661   25.928  118.308   15.424 -12.64619 30.16880 
1 1 1  -14   10   15 o  107.430   15.471  148.408   40.308  148.408   40.308   0.0000   0.0000  107.430   15.471  ?   ?  0.000000 15.47112 
1 1 1  -14   10   16 o  539.698   17.514  3683.70  236.041  3589.99  333.215  3778.08  334.414  529.190   25.215  543.187   24.654 -13.99762 35.26495 
1 1 1  -14   10   17 o  341.692   13.018  1468.42  111.076  1468.00  156.283  1468.85  157.900  339.916   18.481  339.954   18.671 -0.3790283E-01 26.27106 
1 1 1  -14   10   18 o  216.996   10.644  590.858   57.676  567.968   80.823  614.609   82.330  211.637   15.399  220.270   15.058 -8.633652 21.53729 
1 1 1  -14   10   19 o  250.116   10.871  785.236   67.901  808.702   95.534  761.279   96.527  252.746   15.207  245.049   15.859 7.697220 21.97203 
1 1 1  -14   10   20 o  202.201   10.268  514.252   51.674  497.676   72.168  531.692   74.024  198.143   14.690  204.863   14.564 -6.720581 20.68613 
1 1 1  -14   10   21 o  418.641   14.788  2210.55  154.594  2143.89  217.925  2278.09  219.341  409.514   21.384  422.920   20.769 -13.40646 29.80998 
1 1 1  -14   10   22 o  163.090   10.428  335.155   42.248  335.259   58.783  335.044   60.762  162.399   14.653  162.243   15.174 0.1563110 21.09373 
1 1 1  -14   10   23 o  283.661   11.597  1011.14   82.149  1012.61  115.709  1009.64  116.649  282.487   16.474  282.026   16.637 0.4607239 23.41337 
1 1 1  -14   10   24 o  205.560   10.701  531.934   54.740  541.876   77.112  521.835   77.720  206.663   15.045  202.692   15.472 3.970993 21.58096 
1 1 1  -14   10   25 o  108.213   11.582  148.822   30.812  150.453   42.407  146.998   44.844  107.920   16.239  106.373   17.490 1.546593 23.86618 
1 1 1  -14   10   26 o  144.512   15.974  267.187   56.682  341.396   69.572  120.694   97.750  163.250   17.331   98.287   33.368 64.96212 37.60084 
1 1 1  -14   10   27 o  349.706   14.933  1544.59  130.410  1507.08  157.752  1625.57  231.767  343.941   18.434  353.598   26.439 -9.656616 32.23108 
1 1 1  -14   10   28 o  153.669   14.025  300.343   53.227  350.555  116.092  286.978   59.894  161.497   29.887  149.701   16.284 11.79610 34.03557 
1 1 1  -14   10   29 o  388.034   16.356  1908.14  158.493  2080.80  286.091  1831.68  190.377  398.082   28.978  378.206   20.231 19.87622 35.34157 
1 1 1  -14   10   30 o  254.600   13.993  821.173   88.623  1010.59  177.986  758.729  102.191  277.915   25.946  243.893   16.883 34.02188 30.95550 
1 1 1  -14   10   31 o  113.993   16.511  168.341   45.633  211.970  122.048  161.251   49.202  123.542   36.805  111.055   18.385 12.48657 41.14165 
1 1 1  -14   10   32 o   91.708   18.160  111.058   40.118   27.127  120.404  121.540   42.550   81.774   34.481   95.978   18.423 -14.20396 39.09443 
1 1 1  -14   10   33 o  187.635   15.056  450.522   69.952  544.801  155.155  426.469   78.368  198.531   32.414  181.758   17.482 16.77293 36.82812 
1 1 1  -14   10   34 o  165.753   17.357  356.292   70.777  294.025  150.059  374.107   80.266  140.450   40.534  169.145   19.351 -28.69511 44.91606 
1 1 1  -14   10   35 o  234.097   14.748  702.984   85.773  535.101  182.527  750.564   97.171  188.904   39.942  241.252   16.224 -52.34776 43.11092 
1 1 1  -14   10   36 o   82.793   19.172   92.827   38.857   82.369  143.368   93.656   40.368   93.027   38.294   83.035   19.755 9.991631 43.08951 
1 1 1  -14   10   37 o   65.370   19.883   57.064   35.348   0.0000   0.0000   57.064   35.348  ?   ?    65.370   19.883 0.000000 19.88299 
1 1 1  -14   10   38 o   54.231   19.378   34.565   33.195  216.389  158.250   26.197   33.950  116.043   42.199   50.946   19.347 65.09737 46.42216 
1 1 1  -14   10   39 o   93.916   17.702  119.379   39.994 -12.1089  168.909  127.189   41.164   81.926   37.348   97.037   17.637 -15.11116 41.30290 
1 1 1  -14   10   40 o   68.466   29.711   17.535   94.182   0.0000   0.0000   17.535   94.182  ?   ?    68.466   29.711 0.000000 29.71088 
1 1 1  -14   10   41 o   67.856   19.492   63.820   34.774  177.469  199.682   60.265   35.314  105.306   44.405   66.113   19.821 39.19240 48.62762 
1 1 1  -14   10   42 o  127.953   16.296  219.853   50.888  429.937  222.626  208.272   52.272  138.707   50.111  123.918   17.369 14.78870 53.03542 
1 1 1  -14   10   43 o   91.614   19.229  118.307   42.590  339.744  240.741  111.152   43.273  118.408   49.260   88.318   20.076 30.09052 53.19372 
1 1 1  -14   11    1 o  170.853   9.8553  367.302   41.869  372.458   57.707  361.569   60.841  171.465   13.589  168.738   14.582 2.727036 19.93213 
1 1 1  -14   11    2 o  251.191   10.680  791.814   66.990  800.891   93.516  782.245   96.010  251.588   14.952  248.498   15.550 3.089844 21.57244 
1 1 1  -14   11    3 o  157.922   9.8274  313.879   38.563  282.638   52.766  349.697   56.499  149.125   14.347  166.125   13.743 -16.99982 19.86667 
1 1 1  -14   11    4 o  260.422   10.744  850.890   69.871  795.524   97.470  909.416  100.213  250.658   15.650  268.205   15.023 -17.54654 21.69356 
1 1 1  -14   11    5 o  282.386   11.317  1000.88   79.802  965.303  111.538  1038.19  114.223  276.095   16.249  286.415   16.034 -10.31964 22.82853 
1 1 1  -14   11    6 o  126.480   10.262  201.893   32.134  200.529   43.823  203.479   47.260  125.431   14.243  126.165   15.314 -0.7335205 20.91430 
1 1 1  -14   11    7 o  703.929   22.243  6308.91  390.992  6148.18  552.235  6470.47  553.661  687.696   32.157  706.143   31.398 -18.44647 44.94336 
1 1 1  -14   11    8 o  558.666   18.003  3946.98  251.153  4018.95  354.649  3874.56  355.723  560.259   25.349  549.798   25.909 10.46094 36.24726 
1 1 1  -14   11    9 o  172.698   9.7826  374.982   42.015  399.935   58.287  347.995   60.618  177.877   13.217  165.583   14.816 12.29343 19.85460 
1 1 1  -14   11   10 o  112.135   10.502  159.056   29.064  180.164   39.994  135.434   42.309  118.906   13.721  102.204   17.187 16.70203 21.99271 
1 1 1  -14   11   11 o  361.156   13.084  1639.79  117.998  1731.86  166.306  1546.46  167.449  370.029   17.998  348.820   19.298 21.20898 26.38856 
1 1 1  -14   11   12 o  192.251   10.276  464.776   49.153  516.229   68.590  410.459   70.473  202.114   13.670  179.714   15.866 22.40083 20.94314 
1 1 1  -14   11   13 o   92.130   11.777  108.293   26.476  109.240   36.102  107.192   38.944   91.693   16.367   90.531   17.861 1.161850 24.22589 
1 1 1  -14   11   14 o  181.126   11.602  413.604   52.201  414.538   85.065  413.040   66.114  179.835   19.241  180.459   14.801 -0.6243591 24.27519 
1 1 1  -14   11   15 o  144.280   10.325  262.425   36.953  296.631   51.075  224.850   53.531  152.952   13.511  132.425   16.549 20.52696 21.36394 
1 1 1  -14   11   16 o  309.448   12.223  1203.46   94.452  1242.57  132.645  1163.23  134.526  313.034   17.033  302.606   17.882 10.42795 24.69568 
1 1 1  -14   11   17 o  189.625   10.158  452.302   47.928  438.089   66.547  467.621   69.087  185.906   14.448  192.094   14.509 -6.188217 20.47596 
1 1 1  -14   11   18 o  261.750   11.422  860.501   74.657  833.515  104.857  888.245  106.319  256.293   16.471  264.682   16.163 -8.389618 23.07667 
1 1 1  -14   11   19 o  194.127   10.171  474.055   49.136  480.202   68.504  467.540   70.518  194.708   14.187  191.984   14.824 2.724060 20.51841 
1 1 1  -14   11   20 o  109.234   11.331  151.459   30.458  162.623   41.715  138.710   44.576  112.526   15.237  103.201   17.948 9.324905 23.54386 
1 1 1  -14   11   21 o  205.762   10.864  533.044   55.624  558.319   77.956  506.830   79.392  209.832   14.976  199.636   16.061 10.19574 21.95987 
1 1 1  -14   11   22 o  367.864   13.702  1704.88  125.874  1708.45  177.586  1701.27  178.444  366.089   19.496  365.263   19.635 0.8262939 27.67008 
1 1 1  -14   11   23 o  271.404   11.853  925.988   80.335  913.471  112.843  938.852  114.395  268.108   16.942  271.823   16.937 -3.714874 23.95574 
1 1 1  -14   11   24 o  307.997   12.893  1194.11   99.163  1251.12  140.114  1136.90  140.362  313.583   17.968  298.572   18.924 15.01096 26.09473 
1 1 1  -14   11   25 o  167.689   10.592  354.447   44.127  339.228   61.579  370.510   63.265  163.191   15.289  170.673   14.996 -7.481720 21.41577 
1 1 1  -14   11   26 o  318.238   18.601  1290.94  147.177  1455.82  199.906  1095.80  217.481  335.792   23.998  288.018   30.711 47.77383 38.97569 
1 1 1  -14   11   27 o  359.583   18.570  1647.69  166.181  1564.96  225.009  1746.97  246.489  346.991   26.160  366.163   27.150 -19.17249 37.70264 
1 1 1  -14   11   28 o  149.886   11.745  284.290   43.607  318.802   60.873  247.910   62.499  158.009   15.633  138.469   18.540 19.54007 24.25092 
1 1 1  -14   11   29 o  243.847   15.608  755.594   94.545  391.797  175.207  905.048  112.299  165.927   42.190  266.559   16.959 -100.6326 45.47095 
1 1 1  -14   11   30 o  455.714   19.282  2651.15  219.434  2427.05  388.928  2755.79  265.776  422.333   37.260  462.474   23.013 -40.14056 43.79364 
1 1 1  -14   11   31 o  176.577   14.526  397.245   63.485  377.063  137.382  402.725   71.587  164.880   34.476  177.332   16.350 -12.45161 38.15604 
1 1 1  -14   11   32 o  283.685   14.740  1023.44  104.057  1072.73  202.473  1005.74  121.303  283.293   29.031  280.210   17.422 3.083038 33.85711 
1 1 1  -14   11   33 o  299.963   14.932  1144.34  111.851  1133.83  217.682  1148.10  130.378  289.024   30.627  298.951   17.541 -9.926727 35.29467 
1 1 1  -14   11   34 o  211.820   16.955  578.872   88.930  601.602  165.944  569.714  105.332  207.127   33.205  208.606   20.484 -1.479050 39.01490 
1 1 1  -14   11   35 o  155.204   15.494  311.427   59.248  249.341  149.088  323.070   64.565  128.482   41.105  157.698   16.647 -29.21570 44.34799 
1 1 1  -14   11   36 o   98.884   17.863  130.386   42.486  136.103  145.788  129.856   44.414  102.934   39.836   98.385   18.762 4.548370 44.03347 
1 1 1  -14   11   37 o  125.723   17.153  208.855   52.446  125.268  162.036  218.637   55.430  101.396   41.100  128.436   17.758 -27.03920 44.77184 
1 1 1  -14   11   38 o   77.377   19.795   82.305   38.403  179.301  164.643   76.724   39.493  109.306   42.325   74.678   20.537 34.62733 47.04441 
1 1 1  -14   11   39 o   52.046   19.070   30.482   32.405 -53.1575  166.532   33.773   33.036   77.410   35.934   53.694   19.316 23.71603 40.79675 
1 1 1  -14   11   40 o   84.152   19.443   98.022   40.037   0.0000   0.0000   98.022   40.037  ?   ?    84.152   19.443 0.000000 19.44300 
1 1 1  -14   11   41 o   64.296   28.329   5.3371   88.512 -42.5370  195.904   17.617   99.217   81.776   38.293   69.261   30.268 12.51525 48.81147 
1 1 1  -14   11   42 o  119.486   16.510  192.232   47.945  460.421  220.234  178.889   49.123  145.182   50.066  114.574   17.743 30.60807 53.11730 
1 1 1  -14   11   43 o   87.562   19.584  108.536   41.750  477.523  235.491   96.562   42.422  139.713   51.375   82.022   20.708 57.69181 55.39121 
1 1 1  -14   12    1 o  332.874   12.207  1393.90  101.466  1349.39  142.253  1439.99  144.770  325.773   17.551  336.654   17.279 -10.88092 24.62897 
1 1 1  -14   12    2 o  227.470   10.318  649.419   58.612  627.185   81.311  673.469   84.566  222.475   14.719  230.562   14.765 -8.086487 20.84862 
1 1 1  -14   12    3 o  182.227   9.9545  417.797   45.127  398.617   62.085  439.282   65.708  177.287   14.141  186.143   14.244 -8.856491 20.07146 
1 1 1  -14   12    4 o  251.234   10.778  792.341   67.618  791.937   94.396  792.766   96.907  250.066   15.188  250.102   15.594 -0.3620911E-01 21.76830 
1 1 1  -14   12    5 o  285.230   11.275  1021.66   80.305  963.268  112.243  1082.90  114.944  275.613   16.382  292.435   15.799 -16.82202 22.75884 
1 1 1  -14   12    6 o  244.192   10.715  748.341   65.337  768.198   91.037  727.248   93.827  246.396   14.865  239.514   15.776 6.882980 21.67579 
1 1 1  -14   12    7 o  405.080   14.114  2066.76  142.776  2021.47  201.048  2112.83  202.794  398.294   20.281  407.820   19.913 -9.526367 28.42242 
1 1 1  -14   12    8 o  170.029   10.129  363.849   42.813  349.859   59.181  379.210   62.012  166.034   14.417  172.892   14.497 -6.858047 20.44522 
1 1 1  -14   12    9 o  271.106   11.261  922.740   76.237  896.697  106.301  950.322  109.396  266.030   16.077  273.900   16.064 -7.869629 22.72731 
1 1 1  -14   12   10 o  118.441   10.508  177.358   30.757  210.432   42.402  140.633   44.682  128.642   13.396  104.007   17.846 24.63581 22.31448 
1 1 1  -14   12   11 o  262.558   11.064  865.321   72.542  867.143  101.530  863.421  103.684  261.700   15.607  261.048   15.982 0.6518860 22.33854 
1 1 1  -14   12   12 o  212.196   10.400  564.866   55.109  559.450   76.370  570.750   79.601  210.196   14.641  212.222   15.119 -2.026443 21.04626 
1 1 1  -14   12   13 o  259.475   16.498  854.055  106.348   0.0000   0.0000  854.055  106.348  ?   ?   259.475   16.498 0.000000 16.49848 
1 1 1  -14   12   14 o  111.147   15.235  158.654   41.173  158.654   41.173   0.0000   0.0000  111.147   15.235  ?   ?  0.000000 15.23499 
1 1 1  -14   12   15 f  152.350   10.361  292.536   39.184  314.465   54.104  268.346   56.826  157.416   13.906  144.922   15.967 12.49319 21.17407 
1 1 1  -14   12   16 o  308.411   12.371  1195.92   95.278  1291.36  134.381  1099.45  135.108  319.086   16.925  293.898   18.504 25.18750 25.07685 
1 1 1  -14   12   17 o  216.761   10.302  589.532   55.762  609.388   77.814  568.574   79.948  219.438   14.278  211.735   15.222 7.703461 20.87033 
1 1 1  -14   12   18 o  272.074   10.856  929.355   73.761  932.534  103.506  926.075  105.140  271.381   15.336  270.362   15.640 1.019531 21.90435 
1 1 1  -14   12   19 o  131.728   10.736  219.262   35.008  202.763   48.046  237.936   51.113  125.775   15.634  136.473   15.259 -10.69801 21.84681 
1 1 1  -14   12   20 o  270.794   11.905  921.793   80.503  964.814  113.434  878.138  114.267  275.700   16.553  262.718   17.518 12.98236 24.10117 
1 1 1  -14   12   21 o  311.064   12.698  1217.58   98.634  1275.94  138.844  1158.13  140.143  316.830   17.619  301.461   18.709 15.36890 25.69871 
1 1 1  -14   12   22 o  303.189   12.277  1156.20   92.953  1158.93  130.597  1153.40  132.330  301.959   17.393  301.150   17.674 0.8092346 24.79681 
1 1 1  -14   12   23 o  257.443   11.986  833.381   77.057  872.834  108.511  793.244  109.446  262.102   16.665  249.544   17.678 12.55827 24.29468 
1 1 1  -14   12   24 o   81.681   13.854   86.367   27.248   44.285   35.503  146.684   42.504   60.459   20.109  106.463   16.523 -46.00416 26.02630 
1 1 1  -14   12   25 o  142.618   11.417  257.242   40.319  263.661   56.281  250.475   57.787  143.540   15.972  139.653   16.915 3.887131 23.26455 
1 1 1  -14   12   26 o  228.535   17.035  665.391   96.519  851.161  127.049  411.838  148.428  257.748   19.893  173.350   35.483 84.39841 40.67878 
1 1 1  -14   12   27 o  151.067   16.060  291.960   59.655  340.781   71.492  180.037  108.246  162.904   17.867  115.439   34.723 47.46568 39.05073 
1 1 1  -14   12   28 o  159.765   11.831  322.866   46.866  342.354   65.311  302.180   67.289  163.649   16.194  153.237   17.923 10.41187 24.15564 
1 1 1  -14   12   29 o  113.062   12.211  162.800   33.927  152.431   46.041  175.121   50.188  108.203   17.648  116.090   17.887 -7.887688 25.12724 
1 1 1  -14   12   30 o  330.630   13.073  1379.25  107.934  1071.45  152.073  1691.70  153.217  288.235   21.278  364.932   16.813 -76.69641 27.11901 
1 1 1  -14   12   31 f  250.161   14.697  795.292   91.407  708.336  177.472  826.689  106.640  228.753   31.939  254.366   16.884 -25.61298 36.12743 
1 1 1  -14   12   32 o  371.706   17.437  1764.37  161.855  1547.04  292.143  1860.63  194.421  335.267   35.431  379.549   20.590 -44.28275 40.97931 
1 1 1  -14   12   33 o  194.286   15.476  483.715   74.464  306.585  153.237  538.471   85.199  144.308   40.739  204.587   16.826 -60.27843 44.07705 
1 1 1  -14   12   34 o  232.607   18.974  703.119  109.251  415.507  182.970  862.477  136.195  164.750   43.741  256.408   21.468 -91.65733 48.72555 
1 1 1  -14   12   35 o  176.183   16.555  402.417   71.980  680.977  162.214  334.121   80.320  221.331   30.132  158.714   20.764 62.61790 36.59334 
1 1 1  -14   12   36 o  158.493   16.462  327.426   64.205   0.0000   0.0000  327.426   64.205  ?   ?   158.493   16.462 0.000000 16.46237 
1 1 1  -14   12   37 o  100.013   20.063  136.059   48.363  112.053  153.320  138.711   50.965   98.157   39.909  100.675   20.954 -2.517342 45.07562 
1 1 1  -14   12   38 o  153.087   15.446  306.364   58.242  302.084  171.786  306.920   61.908  133.038   44.232  152.756   16.491 -19.71803 47.20598 
1 1 1  -14   12   39 o  140.655   16.054  260.857   55.379  225.051  177.950  264.696   58.272  116.193   44.252  141.330   16.843 -25.13640 47.34942 
1 1 1  -14   12   40 o   91.655   19.150  115.578   42.418  146.706  186.515  113.880   43.560  102.739   43.097   90.716   19.786 12.02275 47.42197 
1 1 1  -14   12   41 o   78.216   32.503   60.904  104.643   0.0000   0.0000   60.904  104.643  ?   ?    78.216   32.503 0.000000 32.50284 
1 1 1  -14   12   42 o   85.154   20.047  102.207   41.922  109.168  219.056  101.943   42.712   96.753   43.471   84.901   20.400 11.85170 48.01933 
1 1 1  -14   12   43 o  132.056   17.482  237.660   56.232  230.795  240.026  238.058   57.842  107.019   46.916  131.820   18.045 -24.80067 50.26660 
1 1 1  -14   13    1 o  135.791   15.176  235.895   50.580  224.384   65.096  253.432   80.352  131.091   20.562  138.475   24.113 -7.383469 31.68913 
1 1 1  -14   13    2 o  197.854   9.8913  491.311   48.871  472.710   67.178  512.222   71.227  193.077   14.029  200.969   14.286 -7.892044 20.02232 
1 1 1  -14   13    3 o  256.626   10.871  827.310   69.664  821.344   97.096  833.641  100.009  254.486   15.351  256.299   15.702 -1.813400 21.95852 
1 1 1  -14   13    4 o  162.980   10.051  334.600   40.706  357.161   55.845  309.025   59.458  167.842   13.437  155.635   15.505 12.20773 20.51711 
1 1 1  -14   13    5 o   94.533   11.815  114.065   27.283  103.139   36.617  127.701   40.907   88.795   17.134   99.051   17.160 -10.25633 24.24969 
1 1 1  -14   13    6 o  333.081   12.415  1395.62  103.267  1355.38  144.874  1437.19  147.238  326.489   17.837  336.306   17.593 -9.817047 25.05346 
1 1 1  -14   13    7 o  465.567   15.598  2737.94  181.339  2704.47  255.451  2771.94  257.466  459.981   22.239  465.733   22.138 -5.751862 31.37922 
1 1 1  -14   13    8 o  161.505   10.093  328.510   40.501  308.141   56.016  350.825   58.629  155.651   14.581  166.230   14.262 -10.57869 20.39646 
1 1 1  -14   13    9 o  234.460   10.662  690.039   62.423  678.340   86.992  702.458   89.625  231.362   15.140  235.412   15.329 -4.050217 21.54584 
1 1 1  -14   13   10 o  157.469   10.212  312.406   39.940  315.409   54.622  308.956   58.551  157.608   14.025  155.737   15.251 1.870636 20.71942 
1 1 1  -14   13   11 o  223.864   10.563  628.992   59.053  669.446   82.660  586.823   84.393  229.989   14.466  214.975   15.832 15.01396 21.44593 
1 1 1  -14   13   12 o  262.877   12.990  869.636   85.275  1054.62  148.430  778.497  104.185  287.016   20.852  247.484   16.960 39.53197 26.87830 
1 1 1  -14   13   13 o  146.073   12.676  270.395   45.779  321.142   52.439  107.808   93.862  159.173   13.315   94.358   32.677 64.81553 35.28551 
1 1 1  -14   13   14 o  232.295   10.790  677.439   62.590  693.487   87.161  660.352   89.936  233.973   14.997  228.090   15.889 5.883698 21.84872 
1 1 1  -14   13   15 o  198.679   10.507  496.795   51.942  527.655   72.095  463.488   74.898  204.115   14.233  190.902   15.855 13.21278 21.30631 
1 1 1  -14   13   16 o  402.689   14.147  2043.99  142.259  2022.76  200.181  2065.65  202.204  398.164   20.199  402.885   20.098 -4.720642 28.49468 
1 1 1  -14   13   17 o  258.877   11.088  841.713   71.682  938.727  100.876  742.758  101.880  272.356   14.888  241.661   16.990 30.69499 22.59061 
1 1 1  -14   13   18 o  397.912   14.140  1996.07  140.505  2119.86  198.517  1871.81  198.891  408.317   19.469  382.633   20.894 25.68466 28.55911 
1 1 1  -14   13   19 o  396.801   14.586  1986.31  144.527  2103.26  203.935  1868.31  204.851  406.447   20.093  381.951   21.565 24.49594 29.47519 
1 1 1  -14   13   20 o  268.639   12.059  907.518   80.898  934.530  113.549  879.674  115.284  271.193   16.850  262.854   17.666 8.338287 24.41336 
1 1 1  -14   13   21 o  189.032   10.835  450.202   50.932  475.685   70.909  423.043   73.204  193.596   14.779  182.185   16.262 11.41096 21.97409 
1 1 1  -14   13   22 o  291.787   12.338  1071.11   89.902  1122.95  126.659  1018.48  127.629  297.255   17.136  282.732   18.173 14.52286 24.97781 
1 1 1  -14   13   23 o  264.539   11.479  879.560   75.830  833.937  106.001  927.382  108.523  256.139   16.663  270.304   16.151 -14.16522 23.20612 
1 1 1  -14   13   24 o  393.013   13.731  1947.05  134.757  1868.35  189.543  2027.49  191.623  382.506   19.912  399.236   19.221 -16.72968 27.67551 
1 1 1  -14   13   25 o  201.243   12.424  511.590   62.130  521.604   97.897  504.836   80.396  201.474   19.711  199.074   16.316 2.400192 25.58725 
1 1 1  -14   13   26 o  293.969   17.774  1100.79  129.868  1184.65  172.892  992.196  196.732  303.014   23.021  274.476   29.149 28.53812 37.14291 
1 1 1  -14   13   27 f  264.456   14.177  885.183   93.281  907.995  111.138  830.806  171.590  267.145   16.744  251.406   27.797 15.73959 32.45037 
1 1 1  -14   13   28 o  241.431   11.599  733.281   69.931  735.312   98.111  731.185   99.702  240.322   16.447  239.552   16.773 0.7701874 23.49113 
1 1 1  -14   13   29 o  157.921   11.669  315.557   45.692  281.984   63.203  352.314   66.132  147.995   17.436  165.957   16.163 -17.96223 23.77523 
1 1 1  -14   13   30 o  123.560   12.248  194.257   37.293  177.088   50.888  214.174   54.811  116.616   18.058  128.618   17.521 -12.00228 25.16163 
1 1 1  -14   13   31 o  246.078   11.745  763.267   72.173  642.751  101.725  885.422  102.414  223.597   18.381  263.647   15.625 -40.04977 24.12498 
1 1 1  -14   13   32 o  176.757   15.421  400.079   67.385  299.980  143.440  428.426   76.332  144.190   38.928  182.499   16.943 -38.30888 42.45487 
1 1 1  -14   13   33 o  158.225   15.699  322.196   61.212  165.879  138.400  360.210   68.251  111.413   39.593  167.105   16.574 -55.69205 42.92251 
1 1 1  -14   13   34 o   81.833   20.585   90.378   42.027 -30.7003  125.622  105.637   44.597   73.383   32.949   88.484   20.573 -15.10117 38.84396 
1 1 1  -14   13   35 o  212.484   18.029  587.961   94.760  446.740  173.436  648.060  113.141  170.854   41.142  221.750   20.670 -50.89516 46.04245 
1 1 1  -14   13   36 o  179.910   15.615  419.527   69.455  547.737  168.397  393.245   76.242  191.909   36.472  173.158   17.890 18.75114 40.62355 
1 1 1  -14   13   37 o   95.188   20.404  123.872   47.043  153.354  152.611  120.777   49.451  105.216   40.747   93.571   21.601 11.64465 46.11850 
1 1 1  -14   13   38 o  226.096   15.277  664.651   85.748  822.819  204.963  631.094   94.407  232.051   36.582  219.006   17.406 13.04527 40.51197 
1 1 1  -14   13   39 o  155.121   15.696  315.988   59.964  330.440  189.462  314.380   63.213  135.034   46.445  154.242   16.677 -19.20818 49.34797 
1 1 1  -14   13   40 o   86.455   19.831  103.655   41.904  162.602  180.480  100.296   43.081  104.661   43.011   84.777   20.561 19.88353 47.67261 
1 1 1  -14   13   41 o   70.272   20.812   68.717   39.111   0.0000   0.0000   68.717   39.111  ?   ?    70.272   20.812 0.000000 20.81234 
1 1 1  -14   13   42 o  101.749   36.940  171.791  121.198   0.0000   0.0000  171.791  121.198  ?   ?   101.749   36.940 0.000000 36.94048 
1 1 1  -14   13   43 o   75.170   21.148   81.081   41.366  103.758  229.893   80.322   42.052   94.591   43.293   74.771   21.422 19.82018 48.30362 
1 1 1  -14   14    1 o  293.032   11.482  1080.38   84.017  1119.38  117.466  1039.53  120.218  296.831   15.905  285.688   16.927 11.14264 23.22666 
1 1 1  -14   14    2 o  139.298   15.234  248.269   52.129  248.897   67.029  247.307   82.924  138.299   19.989  136.309   25.293 1.989700 32.23753 
1 1 1  -14   14    3 o  253.667   15.377  816.851   96.946  732.449  131.285  918.068  143.769  237.959   22.355  266.854   21.764 -28.89484 31.20005 
1 1 1  -14   14    4 o  200.120   14.638  508.463   72.643  459.382   96.199  573.581  110.807  188.554   20.776  210.738   21.351 -22.18459 29.79048 
1 1 1  -14   14    5 o   89.249   12.418  102.150   26.926  119.212   35.869   80.125   40.755   95.928   15.502   77.848   20.632 18.08047 25.80691 
1 1 1  -14   14    6 o  253.384   10.485  806.253   66.342  755.041   92.081  861.530   95.666  243.985   15.189  260.794   14.750 -16.80965 21.17207 
1 1 1  -14   14    7 o  263.099   10.910  869.596   71.678  846.497   99.864  894.139  102.942  258.320   15.554  265.503   15.595 -7.183014 22.02530 
1 1 1  -14   14    8 o  138.239   10.317  241.212   35.359  250.543   48.020  230.161   52.258  140.301   13.888  134.002   15.929 6.299591 21.13332 
1 1 1  -14   14    9 o  279.526   11.452  982.031   79.940  978.431  111.874  985.787  114.269  277.648   16.206  278.612   16.497 -0.9639587 23.12572 
1 1 1  -14   14   10 o  161.055   10.116  326.787   40.479  329.713   55.626  323.493   59.015  161.132   13.962  159.387   15.004 1.745407 20.49541 
1 1 1  -14   14   11 o  237.751   10.825  709.883   64.270  708.753   89.169  711.104   92.719  236.432   15.183  236.682   15.778 -0.2501678 21.89674 
1 1 1  -14   14   12 o  138.199   11.774  241.808   40.247  231.693   63.496  248.601   52.035  133.620   19.613  139.516   15.181 -5.895279 24.80169 
1 1 1  -14   14   13 o  166.367   10.355  348.737   42.806  334.668   58.306  365.184   63.044  162.242   14.546  169.427   15.058 -7.185364 20.93606 
1 1 1  -14   14   14 o  353.908   13.062  1577.06  115.439  1576.31  161.799  1577.84  164.753  351.893   18.477  351.942   18.814 -0.4833984E-01 26.37012 
1 1 1  -14   14   15 o  299.724   11.970  1129.63   89.595  1186.54  125.643  1070.75  127.797  305.782   16.515  290.076   17.727 15.70633 24.22858 
1 1 1  -14   14   16 o  138.908   10.628  243.666   36.585  291.819   50.611  190.968   52.946  151.608   13.510  121.447   18.003 30.16077 22.50850 
1 1 1  -14   14   17 o  125.483   10.846  199.205   33.654  190.254   45.793  209.716   49.624  121.790   15.401  127.855   15.885 -6.064690 22.12538 
1 1 1  -14   14   18 o  360.315   13.462  1635.72  121.124  1777.29  170.763  1492.38  171.832  374.168   18.276  341.678   20.229 32.49030 27.26205 
1 1 1  -14   14   19 o  342.038   13.494  1474.12  115.253  1667.02  162.612  1279.42  163.375  362.459   17.966  316.036   20.818 46.42239 27.49818 
1 1 1  -14   14   20 o  220.236   11.307  611.104   61.977  668.872   87.074  551.784   88.236  229.612   15.273  208.006   17.140 21.60596 22.95730 
1 1 1  -14   14   21 o  243.451   11.511  744.996   69.983  768.482   97.866  720.419  100.113  245.990   16.019  237.897   16.963 8.092972 23.33157 
1 1 1  -14   14   22 o  280.289   12.136  988.284   84.942  1054.34  119.244  920.239  121.028  288.100   16.645  268.653   18.147 19.44714 24.62468 
1 1 1  -14   14   23 o  237.764   11.296  710.486   67.071  701.640   93.486  719.868   96.280  234.982   16.027  237.957   16.301 -2.975357 22.86036 
1 1 1  -14   14   24 o  367.531   16.053  1709.22  147.330  1763.21  248.959  1680.12  182.771  367.821   27.299  362.436   20.275 5.385284 34.00497 
1 1 1  -14   14   25 o  171.011   14.640  371.899   61.915  310.211   73.294  525.609  115.696  154.962   19.363  201.014   23.492 -46.05223 30.44309 
1 1 1  -14   14   26 o  381.445   21.304  1866.69  202.117  2192.16  277.822  1500.77  294.587  410.024   27.289  333.715   35.915 76.30914 45.10689 
1 1 1  -14   14   27 o  133.284   14.730  227.110   48.207  239.200   53.810  177.953  108.501  136.530   16.092  114.713   34.823 21.81730 38.36102 
1 1 1  -14   14   28 o  273.710   12.824  944.287   87.655  1014.94  123.710  873.052  124.217  282.062   17.652  261.010   19.192 21.05139 26.07589 
1 1 1  -14   14   29 o   89.715   14.302  104.174   30.965  103.155   40.743  105.568   47.646   88.301   19.038   88.967   21.651 -0.6654282 28.83045 
1 1 1  -14   14   30 o  120.409   12.425  184.730   36.822  181.275   49.589  188.977   54.976  118.164   17.319  120.272   18.930 -2.107834 25.65771 
1 1 1  -14   14   31 o  214.894   12.110  584.434   64.721  544.202   91.142  625.359   91.923  205.694   17.923  220.982   16.783 -15.28841 24.55410 
1 1 1  -14   14   32 o   86.204   14.020   96.549   29.144   79.865   38.260  119.610   44.981   77.323   19.745   94.786   19.649 -17.46329 27.85585 
1 1 1  -14   14   33 o  317.489   16.476  1292.53  130.181  1139.79  241.794  1354.87  154.482  285.735   34.592  323.567   19.205 -37.83243 39.56515 
1 1 1  -14   14   34 o  189.070   15.384  459.865   72.003  355.690  158.758  486.843   80.790  153.446   40.747  194.016   16.842 -40.57004 44.09031 
1 1 1  -14   14   35 o  142.540   20.264  270.126   70.099   0.0000   0.0000  270.126   70.099  ?   ?   142.540   20.264 0.000000 20.26397 
1 1 1  -14   14   36 o  141.930   19.073  267.408   65.888  211.982  150.997  280.443   73.228  118.005   41.413  144.579   20.888 -26.57457 46.38226 
1 1 1  -14   14   37 o  107.422   18.203  154.587   47.087  157.074  153.151  154.328   49.484  105.737   40.855  106.930   19.239 -1.193771 45.15854 
1 1 1  -14   14   38 o  190.099   17.016  475.433   79.924  137.718  180.671  557.602   89.118  103.483   42.831  205.668   17.519 -102.1841 46.27525 
1 1 1  -14   14   39 o  153.513   16.596  311.368   62.607  273.111  181.888  316.510   66.682  124.618   45.252  154.259   17.627 -29.64127 48.56415 
1 1 1  -14   14   40 o  134.314   17.546  241.502   57.445  286.120  188.183  236.917   60.324  124.892   45.925  132.394   18.772 -7.501579 49.61364 
1 1 1  -14   14   41 o   65.110   29.149  -6.0047   97.557  138.508  194.020 -54.9049  112.862  100.398   43.100   63.049   29.372 37.34906 52.15666 
1 1 1  -14   14   42 o   82.659   34.532   78.237  119.009   0.0000   0.0000   78.237  119.009  ?   ?    82.659   34.532 0.000000 34.53175 
1 1 1  -14   14   43 o  110.304   19.690  170.327   52.246  117.548  244.612  172.850   53.480   96.648   44.390  110.923   20.045 -14.27428 48.70618 
1 1 1  -14   15    1 o  124.133   10.452  195.049   32.099  194.296   42.912  196.005   48.367  123.188   14.210  123.313   16.090 -0.1254272 21.46692 
1 1 1  -14   15    2 o  252.721   10.864  803.166   68.564  855.872   95.408  746.879   98.597  259.695   14.773  242.076   16.407 17.61884 22.07804 
1 1 1  -14   15    3 o  228.614   10.483  656.831   59.849  644.144   82.816  670.701   86.588  225.203   14.809  229.720   15.180 -4.516678 21.20664 
1 1 1  -14   15    4 o  250.376   10.567  787.805   66.071  724.607   91.300  857.291   95.735  238.786   15.393  259.972   14.808 -21.18614 21.35948 
1 1 1  -14   15    5 o  453.046   22.071  2633.95  249.693  2640.65  349.837  2627.00  356.497  446.425   31.585  444.662   32.326 1.763000 45.19505 
1 1 1  -14   15    6 o  346.786   18.088  1532.98  156.094  1439.92  215.531  1635.64  226.367  332.361   26.181  354.587   25.740 -22.22595 36.71481 
1 1 1  -14   15    7 o  265.482   15.500  894.573  102.311  777.781  137.910  1037.53  152.577  245.137   22.790  283.843   21.690 -38.70602 31.46149 
1 1 1  -14   15    8 o  188.758   11.906  450.027   55.831  476.781   91.543  434.181   70.450  192.569   19.296  184.670   15.418 7.898758 24.69917 
1 1 1  -14   15    9 o   96.087   12.211  118.020   28.638  143.648   38.608   86.669   42.702  105.596   15.069   80.870   20.969 24.72581 25.82207 
1 1 1  -14   15   10 o  239.707   10.579  721.699   63.325  744.157   88.159  697.759   91.019  242.328   14.637  234.378   15.641 7.950546 21.42167 
1 1 1  -14   15   11 o  289.864   17.087  1068.73  123.135   0.0000   0.0000  1068.73  123.135  ?   ?   289.864   17.087 0.000000 17.08679 
1 1 1  -14   15   12 o  215.153   14.804  587.276   79.057  587.276   79.057   0.0000   0.0000  215.153   14.804  ?   ?  0.000000 14.80446 
1 1 1  -14   15   13 o  129.564   10.797  212.306   34.616  226.568   47.188  195.691   50.934  133.235   14.413  123.157   17.016 10.07795 22.29946 
1 1 1  -14   15   14 o  476.572   15.772  2872.47  187.706  2836.59  264.389  2908.94  266.538  470.487   22.503  476.506   22.400 -6.018890 31.75117 
1 1 1  -14   15   15 f  310.092   12.247  1209.95   94.832  1264.21  132.700  1153.31  135.571  315.436   16.908  300.850   18.130 14.58560 24.79071 
1 1 1  -14   15   16 o  210.614   11.056  558.868   57.947  631.545   80.760  481.744   83.194  223.217   14.568  194.183   17.339 29.03421 22.64656 
1 1 1  -14   15   17 f  248.722   11.173  777.420   69.399  785.297   96.494  768.979   99.882  248.747   15.614  245.946   16.356 2.801224 22.61206 
1 1 1  -14   15   18 o  135.325   11.019  231.589   36.915  229.822   50.311  233.650   54.331  134.019   15.308  134.890   16.471 -0.8714905 22.48633 
1 1 1  -14   15   19 o  318.994   12.471  1280.81   99.340  1377.15  139.578  1181.91  141.415  329.213   17.036  304.371   18.696 24.84146 25.29384 
1 1 1  -14   15   20 o  148.664   10.700  279.005   39.459  252.691   53.759  309.739   58.100  140.547   15.579  155.873   15.116 -15.32555 21.70759 
1 1 1  -14   15   21 o  277.696   11.622  969.638   80.590  943.596  112.436  997.154  115.573  272.468   16.604  280.123   16.596 -7.654846 23.47583 
1 1 1  -14   15   22 o  210.646   11.487  559.481   60.198  591.268   84.299  526.403   85.992  215.656   15.763  203.085   17.116 12.57121 23.26829 
1 1 1  -14   15   23 o  295.270   14.426  1100.57  106.366  1238.24  177.225  1023.07  132.979  309.792   23.074  282.978   18.927 26.81403 29.84417 
1 1 1  -14   15   24 o  372.893   19.854  1777.54  184.210  1828.42  250.868  1718.01  271.362  374.560   27.002  361.020   30.383 13.53973 40.64735 
1 1 1  -14   15   25 o  225.808   15.587  648.029   87.353  605.227  109.644  722.404  144.532  216.794   20.496  235.378   24.971 -18.58432 32.30510 
1 1 1  -14   15   26 o  237.206   17.185  717.653  101.104  849.571  130.939  522.868  159.108  257.068   20.569  196.258   33.678 60.81003 39.46239 
1 1 1  -14   15   27 o  240.954   11.450  730.371   68.894  744.379   96.011  715.502   98.916  241.894   15.985  236.898   16.830 4.996414 23.21133 
1 1 1  -14   15   28 f  261.730   12.927  863.873   84.490  886.016  118.092  840.653  120.932  263.240   18.074  256.049   19.050 7.190430 26.25962 
1 1 1  -14   15   29 o  130.902   11.834  217.561   38.267  190.024   51.512  251.471   57.163  121.007   17.560  139.744   16.712 -18.73724 24.24131 
1 1 1  -14   15   30 o  132.057   11.942  221.603   38.956  233.305   53.062  207.921   57.376  134.600   16.107  126.261   18.768 8.338051 24.73193 
1 1 1  -14   15   31 o  220.546   11.623  615.135   63.787  602.985   89.022  627.955   91.446  216.942   16.557  221.376   16.664 -4.434814 23.49119 
1 1 1  -14   15   32 o   89.293   14.023  103.507   30.238   84.209   39.538  130.699   46.933   79.298   19.976   99.114   19.657 -19.81631 28.02546 
1 1 1  -14   15   33 o  424.393   16.884  2309.08  178.933  2287.80  252.987  2330.38  253.113  415.913   24.466  419.996   24.236 -4.082397 34.43813 
1 1 1  -14   15   34 o  137.002   16.930  244.739   56.690  158.654  137.344  262.417   62.239  108.207   39.318  141.546   18.016 -33.33936 43.24931 
1 1 1  -14   15   35 o  105.960   39.017  153.767  135.896  153.767  135.896   0.0000   0.0000  105.960   39.017  ?   ?  0.000000 39.01731 
1 1 1  -14   15   36 o   91.556   21.851  115.434   49.264   26.731  139.981  127.974   52.631   83.191   36.161   96.317   22.319 -13.12683 42.49413 
1 1 1  -14   15   37 o  164.050   16.098  351.964   65.098  413.010  166.946  341.017   70.694  159.517   41.511  160.596   17.934 -1.078461 45.21903 
1 1 1  -14   15   38 o  103.246   18.984  144.619   47.141  221.272  159.323  137.264   49.351  116.612   42.351   99.929   20.465 16.68259 47.03673 
1 1 1  -14   15   39 o  127.395   17.492  216.808   54.179  258.052  167.600  211.995   57.253  122.294   43.559  125.298   18.884 -3.003693 47.47602 
1 1 1  -14   15   40 o   89.057   21.009  111.071   45.966  155.746  179.700  107.943   47.548  103.306   42.733   87.489   21.833 15.81699 47.98764 
1 1 1  -14   15   41 o  125.179   18.482  212.925   56.035  330.542  201.053  203.019   58.347  128.969   47.463  121.405   19.938 7.563843 51.48047 
1 1 1  -14   15   42 o   76.126   22.404   82.893   45.445   0.0000   0.0000   82.893   45.445  ?   ?    76.126   22.404 0.000000 22.40373 
1 1 1  -14   15   43 o   92.411   37.157  134.833  131.286   0.0000   0.0000  134.833  131.286  ?   ?    92.411   37.157 0.000000 37.15664 
1 1 1  -14   16    1 o  200.022   10.342  504.390   51.482  561.408   70.785  440.358   75.012  210.354   13.547  185.483   16.363 24.87019 21.24300 
1 1 1  -14   16    2 o  160.766   10.220  326.167   40.817  327.611   55.179  324.423   60.658  160.402   13.913  159.257   15.447 1.145401 20.78897 
1 1 1  -14   16    3 o  202.955   10.278  519.042   51.920  508.995   71.111  530.512   75.982  200.118   14.325  204.151   15.009 -4.033234 20.74793 
1 1 1  -14   16    4 o  138.012   10.433  240.761   35.691  240.939   47.957  240.540   53.437  137.356   14.186  136.846   15.936 0.5102386 21.33491 
1 1 1  -14   16    5 o  435.536   14.864  2400.26  161.660  2329.46  227.140  2472.95  230.133  425.534   21.444  439.202   20.983 -13.66833 30.00205 
1 1 1  -14   16    6 o  374.846   13.425  1773.24  125.670  1763.57  176.223  1783.25  179.263  371.366   19.067  373.331   19.294 -1.965057 27.12596 
1 1 1  -14   16    7 o  370.998   13.331  1736.46  123.507  1738.53  173.379  1734.33  175.980  368.858   18.886  368.268   19.202 0.5894165 26.93367 
1 1 1  -14   16    8 o  136.727   12.428  237.380   41.969  228.010   47.969  267.966   86.665  133.546   14.623  141.962   25.378 -8.416214 29.28960 
1 1 1  -14   16    9 o  166.379   15.049  352.832   61.850  347.429   79.231  361.262   98.962  163.896   19.757  165.634   24.679 -1.737930 31.61349 
1 1 1  -14   16   10 o  449.180   32.786  2682.95  365.214   0.0000   0.0000  2682.95  365.214  ?   ?   449.180   32.786 0.000000 32.78590 
1 1 1  -14   16   11 o  197.965   15.331  498.577   75.199  522.877   98.006  463.792  117.260  201.568   19.723  187.773   25.680 13.79446 32.38039 
1 1 1  -14   16   12 o  155.190   15.166  307.310   58.022  296.484   72.546  326.527   96.657  151.305   19.665  157.121   25.510 -5.816376 32.20982 
1 1 1  -14   16   13 o   82.958   15.736   89.877   31.407  128.943   47.032   58.438   42.192   98.912   19.733   68.195   21.872 30.71620 29.45827 
1 1 1  -14   16   14 o  134.095   11.112  227.546   36.874  261.345   50.892  190.192   53.502  143.164   14.432  121.046   18.268 22.11860 23.28130 
1 1 1  -14   16   15 o  266.820   11.111  894.873   74.031  843.194  102.599  951.005  106.928  257.600   16.029  273.721   15.709 -16.12076 22.44337 
1 1 1  -14   16   16 o   97.630   13.031  122.168   30.977  140.002   41.605   99.985   46.402  103.885   16.596   86.732   21.526 17.15346 27.18086 
1 1 1  -14   16   17 o  316.224   12.505  1259.10   98.749  1340.59  138.628  1175.16  140.701  324.668   17.160  303.408   18.661 21.25986 25.35102 
1 1 1  -14   16   18 o  220.988   11.208  615.429   61.647  605.047   85.304  626.779   89.191  218.132   15.766  221.920   16.206 -3.788330 22.61038 
1 1 1  -14   16   19 f  173.232   10.856  378.518   46.726  376.651   63.863  380.670   68.546  172.013   15.018  172.697   16.079 -0.6834564 22.00195 
1 1 1  -14   16   20 o  374.798   13.295  1770.61  124.431  1843.08  175.496  1697.34  176.452  380.732   18.459  364.522   19.455 16.20947 26.81794 
1 1 1  -14   16   21 o  339.994   15.261  1461.45  129.567  1569.68  218.303  1402.60  160.990  347.779   25.310  331.223   19.550 16.55664 31.98162 
1 1 1  -14   16   22 o  129.977   16.539  217.346   52.465  221.965   60.838  203.942  103.631  130.723   19.210  122.114   33.138 8.608681 38.30360 
1 1 1  -14   16   23 o  146.277   17.175  274.999   61.544  358.055   73.681   83.324  111.932  166.962   17.954   91.478   35.035 75.48452 39.36790 
1 1 1  -14   16   24 o  388.502   21.137  1936.62  204.294  2143.77  279.768  1699.98  299.023  404.892   27.839  356.394   34.012 48.49765 43.95232 
1 1 1  -14   16   25 o  124.381   17.257  199.957   52.156  223.976   59.505  120.343  108.336  131.418   18.656   99.389   35.061 32.02901 39.71548 
1 1 1  -14   16   26 o  194.687   13.655  480.627   65.964  500.374   75.771  418.813  134.060  198.252   15.427  175.844   31.695 22.40854 35.25030 
1 1 1  -14   16   27 o  342.311   13.700  1479.49  117.108  1595.67  164.927  1361.36  166.314  353.320   18.760  325.506   20.566 27.81387 27.83730 
1 1 1  -14   16   28 o  366.747   14.316  1700.98  131.108  1798.02  185.017  1603.10  185.815  374.387   19.861  352.805   21.189 21.58206 29.04183 
1 1 1  -14   16   29 o  255.402   12.345  822.742   78.737  816.186  109.575  829.741  113.218  252.543   17.482  254.480   17.931 -1.937393 25.04290 
1 1 1  -14   16   30 o  233.388   11.770  688.597   68.376  698.251   95.214  678.316   98.254  233.675   16.421  230.025   17.230 3.650101 23.80198 
1 1 1  -14   16   31 o  180.677   11.460  413.459   51.437  385.928   70.852  444.139   74.794  173.181   16.586  185.987   16.267 -12.80608 23.23216 
1 1 1  -14   16   32 o  169.823   11.734  366.151   49.457  338.960   67.991  396.706   72.075  161.859   17.079  175.374   16.658 -13.51570 23.85742 
1 1 1  -14   16   33 o  276.986   13.615  975.512   94.174  1031.55  133.197  919.501  133.169  281.848   19.036  265.363   20.249 16.48486 27.79206 
1 1 1  -14   16   34 o   60.326   16.767   48.273   26.168   38.325   33.487   63.876   41.939   56.506   19.521   69.659   21.740 -13.15359 29.21831 
1 1 1  -14   16   35 o  218.697   18.389  626.124   99.493  413.382  171.790  733.498  122.045  161.962   42.090  235.217   20.999 -73.25490 47.03730 
1 1 1  -14   16   36 o   65.122   21.726   54.562   41.433  -9.3483  131.041   61.661   43.674   75.898   33.894   68.478   22.280 7.420219 40.56146 
1 1 1  -14   16   37 o  137.527   17.826  251.141   59.779  257.840  152.888  249.932   64.949  125.569   41.727  136.350   19.642 -10.78018 46.11884 
1 1 1  -14   16   38 o  183.398   15.967  440.722   72.397  302.064  175.273  469.245   79.495  131.605   44.682  188.663   17.058 -57.05836 47.82769 
1 1 1  -14   16   39 o   38.175   17.183 -13.6285   34.411 -23.6518  157.240 -13.1243   35.266   78.178   35.790   38.825   17.443 39.35318 39.81435 
1 1 1  -14   16   40 o  104.670   20.586  152.003   51.891  141.102  185.291  152.931   54.054  101.300   42.748  104.596   21.416 -3.295982 47.81261 
1 1 1  -14   16   41 o   98.980   20.256  136.704   48.379  282.635  194.618  127.092   49.947  120.937   46.226   94.737   21.593 26.20084 51.02091 
1 1 1  -14   16   42 o   61.955   21.602   50.277   41.056   14.189  204.739   51.789   41.907   86.126   39.932   62.717   21.828 23.40849 45.50802 
1 1 1  -14   16   43 o   85.745   36.437   94.754  136.153   0.0000   0.0000   94.754  136.153  ?   ?    85.745   36.437 0.000000 36.43736 
1 1 1  -14   17    1 o  318.881   17.106  1299.17  135.719  1253.22  191.308  1345.74  192.571  309.235   24.987  320.968   24.204 -11.73300 34.78791 
1 1 1  -14   17    2 o  189.047   10.174  450.666   47.855  371.216   64.611  547.217   71.226  170.400   15.349  207.553   13.821 -37.15326 20.65470 
1 1 1  -14   17    3 o  201.045   10.368  509.624   51.875  483.738   70.758  539.704   76.276  194.910   14.645  205.855   14.940 -10.94534 20.92030 
1 1 1  -14   17    4 o  419.939   14.529  2232.40  152.356  2194.28  213.847  2271.70  217.119  412.905   20.807  420.686   20.668 -7.780731 29.32678 
1 1 1  -14   17    5 o  167.089   10.214  352.220   42.415  328.642   57.257  380.895   63.141  160.541   14.436  172.844   14.771 -12.30357 20.65383 
1 1 1  -14   17    6 o   77.772   14.344   78.845   26.831   82.337   35.066   73.912   41.675   78.860   18.179   74.880   21.283 3.979805 27.98979 
1 1 1  -14   17    7 o  127.956   10.888  207.390   34.460  167.251   45.852  259.488   52.237  113.623   16.654  142.437   14.907 -28.81329 22.35136 
1 1 1  -14   17    8 o  309.752   11.911  1208.37   92.129  1196.53  128.361  1220.95  132.309  306.480   16.836  309.472   17.188 -2.992126 24.06034 
1 1 1  -14   17    9 o  295.776   11.686  1101.31   86.315  1061.95  119.977  1143.53  124.271  288.757   16.710  299.689   16.671 -10.93173 23.60413 
1 1 1  -14   17   10 o  264.561   12.857  882.520   84.939  825.027  142.053  914.515  105.969  252.249   22.798  268.177   15.895 -15.92793 27.79144 
1 1 1  -14   17   11 o  131.232   11.950  218.581   38.733  240.346   47.876  177.347   65.898  137.229   14.175  115.339   23.673 21.89002 27.59213 
1 1 1  -14   17   12 o  369.752   15.365  1730.46  141.872  1688.99  171.268  1821.14  253.257  363.562   18.930  372.993   27.381 -9.431580 33.28794 
1 1 1  -14   17   13 o  204.065   14.747  529.088   74.645  437.184   95.783  671.235  119.121  183.609   21.285  228.036   21.160 -44.42680 30.01322 
1 1 1  -14   17   14 o  177.340   15.880  401.371   69.582  431.087   87.092  348.927  115.700  182.906   19.362  160.877   29.901 22.02950 35.62214 
1 1 1  -14   17   15 o  132.090   16.081  224.155   51.951  202.522   61.522  277.911   96.982  124.356   20.528  143.825   28.010 -19.46885 34.72652 
1 1 1  -14   17   16 o  221.014   15.054  620.437   82.592  516.082  104.230  796.535  135.398  199.748   21.221  248.292   22.067 -48.54356 30.61510 
1 1 1  -14   17   17 o  119.374   16.918  184.181   49.021  177.435   56.961  203.445   96.256  116.280   20.358  122.047   31.401 -5.767097 37.42349 
1 1 1  -14   17   18 o  244.566   17.017  762.381  103.277  905.325  136.779  572.795  157.520  265.322   20.811  206.557   31.538 58.76491 37.78565 
1 1 1  -14   17   19 o  321.800   18.422  1321.55  147.422  1402.38  199.320  1223.92  219.045  328.874   24.445  304.750   29.138 24.12320 38.03409 
1 1 1  -14   17   20 o  338.069   19.078  1460.39  160.405  1569.19  217.523  1330.71  237.483  347.555   25.235  317.167   30.355 30.38800 39.47435 
1 1 1  -14   17   21 o  224.396   16.142  641.048   89.848  654.036  113.922  619.674  146.141  225.375   20.465  216.663   27.641 8.712784 34.39212 
1 1 1  -14   17   22 o  254.052   16.643  821.819  105.003  817.555  134.691  828.424  167.656  251.722   21.638  251.117   27.169 0.6051178 34.73233 
1 1 1  -14   17   23 o  332.571   18.530  1412.19  153.278  1407.75  204.625  1417.86  231.366  329.054   25.092  328.382   28.497 0.6723328 37.96913 
1 1 1  -14   17   24 o  118.545   15.323  180.674   44.299  172.997   48.426  220.040  109.663  115.499   17.324  126.359   34.005 -10.85997 38.16390 
1 1 1  -14   17   25 o  164.486   11.228  341.871   45.843  368.986   62.085  309.366   67.977  170.203   14.753  154.981   17.893 15.22235 23.19115 
1 1 1  -14   17   26 o  172.794   12.139  377.932   52.046  383.062   71.521  372.158   75.882  172.917   16.774  170.049   18.150 2.868134 24.71428 
1 1 1  -14   17   27 o  143.123   12.055  259.884   42.684  262.865   57.843  256.319   63.248  142.975   16.504  140.655   18.452 2.320084 24.75621 
1 1 1  -14   17   28 o  429.461   15.604  2340.11  167.349  2407.98  235.691  2271.11  237.655  431.807   21.930  418.755   22.813 13.05173 31.64376 
1 1 1  -14   17   29 o  319.583   13.254  1291.14  105.772  1372.73  148.335  1206.75  150.867  327.265   18.223  306.041   19.848 21.22327 26.94462 
1 1 1  -14   17   30 f  262.992   12.325  873.719   80.943  909.626  113.184  836.132  115.802  266.405   17.104  254.889   18.315 11.51628 25.05991 
1 1 1  -14   17   31 o  143.447   12.374  262.126   43.891  270.876   59.581  251.742   64.904  144.659   16.807  138.621   19.271 6.037827 25.57012 
1 1 1  -14   17   32 o  277.821   12.218  977.305   84.762  969.920  118.510  985.040  121.282  274.319   17.390  276.318   17.669 -1.999573 24.79132 
1 1 1  -14   17   33 o  111.447   18.807  164.730   50.477  124.964  126.592  172.247   55.043   99.921   37.489  113.567   20.146 -13.64552 42.55927 
1 1 1  -14   17   34 o  216.535   16.662  607.678   89.406  607.678   89.406   0.0000   0.0000  216.535   16.662  ?   ?  0.000000 16.66225 
1 1 1  -14   17   35 o  308.327   18.775  1245.75  143.868  1319.11  230.569  1198.98  184.103  305.822   30.602  297.099   25.048 8.722931 39.54628 
1 1 1  -14   17   36 o  138.036   19.714  255.437   66.024   94.922  151.267  293.213   73.382   94.862   39.221  147.682   20.447 -52.82068 44.23050 
1 1 1  -14   17   37 o  118.735   18.232  188.866   52.330  207.048  147.701  186.256   55.960  114.258   40.870  117.200   19.828 -2.942337 45.42595 
1 1 1  -14   17   38 o  122.300   18.577  201.408   54.952  203.094  156.674  201.172   58.679  112.266   41.787  121.538   20.032 -9.271545 46.34060 
1 1 1  -14   17   39 o   52.717   20.530   26.421   38.908 -43.3323  157.080   30.981   40.159   75.896   35.114   54.830   20.989 21.06618 40.90858 
1 1 1  -14   17   40 o  143.926   17.233  276.934   60.705  303.813  182.716  273.599   64.361  127.401   45.470  142.325   18.550 -14.92381 49.10789 
1 1 1  -14   17   41 o  190.446   16.750  483.185   78.849  667.593  216.054  454.850   84.690  189.468   46.102  183.300   18.767 6.168640 49.77572 
1 1 1  -14   17   42 o  132.709   18.714  241.491   60.295  261.372  208.267  239.672   62.993  113.652   46.396  131.534   19.791 -17.88138 50.44069 
1 1 1  -14   17   43 o  163.395   18.893  367.856   75.665   0.0000   0.0000  367.856   75.665  ?   ?   163.395   18.893 0.000000 18.89262 
1 1 1  -14   18    1 o  249.662   11.213  785.638   69.908  865.275   96.310  696.950  101.636  260.686   14.856  232.938   17.603 27.74841 23.03368 
1 1 1  -14   18    2 o  331.349   14.213  1391.15  117.600  1421.65  144.501  1331.33  202.380  333.319   17.421  318.042   25.702 15.27774 31.04924 
1 1 1  -14   18    3 o  164.486   14.037  344.946   57.104  358.194   80.224  331.340   81.301  166.012   19.738  159.186   20.962 6.826248 28.79250 
1 1 1  -14   18    4 o  441.786   17.938  2491.67  197.899  2704.83  339.762  2382.22  243.461  450.315   30.392  428.527   22.833 21.78848 38.01344 
1 1 1  -14   18    5 o  130.824   10.734  216.789   34.758  174.432   45.792  274.367   53.389  116.093   16.240  146.432   14.804 -30.33904 21.97486 
1 1 1  -14   18    6 o  126.541   11.054  203.063   34.580  215.152   45.981  187.326   52.463  129.597   14.454  119.935   18.078 9.662155 23.14636 
1 1 1  -14   18    7 o  168.274   10.453  357.432   43.709  326.695   58.871  395.187   65.248  159.929   14.913  176.003   14.988 -16.07396 21.14334 
1 1 1  -14   18    8 o  144.503   10.717  264.063   38.398  249.148   51.494  282.741   57.627  139.476   15.021  148.497   15.782 -9.020462 21.78812 
1 1 1  -14   18    9 o  462.772   22.615  2760.93  261.340   0.0000   0.0000  2760.93  261.340  ?   ?   462.772   22.615 0.000000 22.61459 
1 1 1  -14   18   10 o  228.550   14.875  663.920   84.435  663.920   84.435   0.0000   0.0000  228.550   14.875  ?   ?  0.000000 14.87516 
1 1 1  -14   18   11 o  106.578   11.897  144.796   31.123  139.050   41.182  152.448   47.526  103.446   16.496  107.988   18.276 -4.542740 24.61956 
1 1 1  -14   18   12 o  154.516   10.573  301.513   40.551  316.960   55.019  283.145   59.998  157.764   14.115  148.503   16.456 9.261292 21.67970 
1 1 1  -14   18   13 o  107.179   12.125  146.499   31.881  153.132   42.644  138.094   48.005  108.756   16.196  102.399   19.485 6.356979 25.33737 
1 1 1  -14   18   14 o  228.524   10.932  656.720   62.388  650.739   85.501  663.530   91.238  226.240   15.222  228.218   16.113 -1.978058 22.16643 
1 1 1  -14   18   15 o  287.592   11.302  1040.53   81.168  993.011  112.098  1092.91  117.682  279.416   16.134  293.175   16.136 -13.75897 22.81884 
1 1 1  -14   18   16 o  326.197   12.292  1340.40  100.125  1295.30  139.361  1388.52  143.947  318.738   17.577  330.058   17.528 -11.32013 24.82259 
1 1 1  -14   18   17 o  212.655   10.996  570.136   58.195  568.245   79.504  572.318   85.414  211.390   15.162  211.862   16.269 -0.4722748 22.23861 
1 1 1  -14   18   18 o  214.499   11.322  580.358   60.429  585.307   82.694  574.687   88.524  214.461   15.546  212.149   16.848 2.312286 22.92517 
1 1 1  -14   18   19 o  140.121   11.564  248.704   40.100  282.552   53.782  206.329   60.176  148.806   14.664  125.690   19.830 23.11544 24.66255 
1 1 1  -14   18   20 o  375.411   13.287  1777.89  124.562  1739.97  173.661  1818.06  178.765  369.003   18.910  377.151   19.042 -8.148010 26.83632 
1 1 1  -14   18   21 o  179.763   10.819  407.700   48.342  368.430   64.854  456.800   72.518  169.917   15.453  189.339   15.473 -19.42177 21.86798 
1 1 1  -14   18   22 o  287.020   12.062  1037.47   86.453  1016.61  119.479  1060.40  125.252  282.439   17.020  288.321   17.479 -5.881378 24.39623 
1 1 1  -14   18   23 o  371.158   13.885  1739.93  128.697  1817.98  180.018  1658.33  184.059  376.984   19.186  359.351   20.597 17.63287 28.14836 
1 1 1  -14   18   24 o  121.069   12.624  186.732   37.606  183.014   50.083  191.536   56.939  118.796   17.398  121.044   19.500 -2.247192 26.13301 
1 1 1  -14   18   25 o  177.496   10.766  397.626   47.493  392.514   64.494  403.683   70.199  175.501   14.855  177.716   15.989 -2.215347 21.82521 
1 1 1  -14   18   26 o  102.792   13.361  135.600   33.487  127.462   44.216  146.546   51.281   98.405   18.676  105.306   20.236 -6.900261 27.53728 
1 1 1  -14   18   27 o  312.132   12.646  1229.54   98.567  1275.92  137.542  1180.58  141.324  315.977   17.499  303.392   18.745 12.58499 25.64411 
1 1 1  -14   18   28 o  157.557   12.354  315.179   48.216  340.278   65.826  286.126   70.822  162.750   16.421  148.181   19.622 14.56909 25.58655 
1 1 1  -14   18   29 o  158.715   11.784  319.561   46.371  306.090   62.930  335.565   68.593  154.116   16.614  161.238   17.306 -7.122025 23.99043 
1 1 1  -14   18   30 o  222.348   12.020  626.500   66.492  677.959   92.453  571.363   95.700  229.974   16.202  210.219   18.416 19.75464 24.52866 
1 1 1  -14   18   31 o  102.324   13.335  134.985   33.264  127.062   43.764  145.825   51.190   97.847   18.591  104.474   20.353 -6.626961 27.56542 
1 1 1  -14   18   32 o  329.252   13.255  1377.69  108.987  1381.91  152.946  1373.34  155.344  326.366   18.847  325.105   19.220 1.260132 26.91849 
1 1 1  -14   18   33 o  201.263   12.771  516.987   63.854  482.109   94.991  545.740   86.247  191.249   20.195  205.128   16.990 -13.87923 26.39155 
1 1 1  -14   18   34 o  129.343   12.605  214.917   40.197  205.549   53.840  226.714   60.421  124.766   17.784  130.630   19.085 -5.864388 26.08664 
1 1 1  -14   18   35 f  199.147   17.958  520.922   88.345  407.072  161.460  569.573  105.546  160.580   40.322  206.657   20.732 -46.07722 45.33945 
1 1 1  -14   18   36 o  263.299   18.488  914.433  120.786  887.226  203.350  929.265  150.143  244.484   34.248  261.475   23.237 -16.99124 41.38638 
1 1 1  -14   18   37 o  128.856   17.951  221.792   56.192  187.501  150.286  227.365   60.587  109.725   40.910  129.872   19.266 -20.14705 45.21901 
1 1 1  -14   18   38 o  160.668   16.618  341.083   65.711  333.012  168.419  342.532   71.368  137.759   43.648  160.176   18.163 -22.41702 47.27664 
1 1 1  -14   18   39 o  163.883   17.089  356.933   68.907  424.446  186.191  346.218   74.173  152.510   45.465  160.334   18.888 -7.823227 49.23238 
1 1 1  -14   18   40 o  160.687   17.383  345.366   68.641  555.352  190.912  314.191   73.560  177.012   43.500  151.664   19.903 25.34767 47.83696 
1 1 1  -14   18   41 o  166.506   17.547  372.928   71.859  356.844  201.715  375.266   76.905  131.483   47.669  166.121   18.874 -34.63814 51.26912 
1 1 1  -14   18   42 o  167.924   17.357  380.917   71.735  496.300  215.886  366.596   76.057  150.529   49.563  163.535   18.977 -13.00597 53.07201 
1 1 1  -14   18   43 o  150.566   18.854  313.370   69.336  360.318  242.305  309.183   72.362  119.953   49.621  148.683   19.997 -28.73011 53.49835 
1 1 1  -14   19    1 o  150.372   11.016  286.620   41.079  281.379   53.801  293.947   63.613  148.111   14.742  150.709   17.212 -2.597443 22.66207 
1 1 1  -14   19    2 o  112.923   12.183  162.892   33.812  156.719   43.679  172.122   53.409  109.730   16.447  114.266   19.412 -4.536469 25.44247 
1 1 1  -14   19    3 o  262.786   11.503  871.030   75.485  955.432  104.422  778.649  109.246  273.747   15.337  246.101   17.899 27.64546 23.57109 
1 1 1  -14   19    4 f  247.714   11.175  773.339   69.129  773.453   94.939  773.209  100.856  246.213   15.521  245.824   16.526 0.3891296 22.67127 
1 1 1  -14   19    5 o  212.801   14.615  576.818   77.191  581.502  108.708  572.055  109.628  211.545   20.849  209.653   21.232 1.892212 29.75753 
1 1 1  -14   19    6 o  102.596   16.733  137.301   41.392  136.601   58.438  138.006   58.636  100.689   23.645  101.214   23.629 -0.5242462 33.42743 
1 1 1  -14   19    7 o  405.894   14.558  2087.58  147.562  2172.08  206.982  2000.24  210.430  411.282   20.153  393.402   21.501 17.87921 29.46965 
1 1 1  -14   19    8 o  134.030   13.413  229.244   44.292  171.943   70.818  266.057   56.764  112.727   25.725  143.858   16.076 -31.13044 30.33495 
1 1 1  -14   19    9 o  337.135   14.767  1440.03  124.322  1425.24  148.711  1474.35  226.564  333.818   17.905  334.331   27.377 -0.5134888 32.71220 
1 1 1  -14   19   10 o  269.712   11.460  916.202   77.186  902.696  106.458  931.170  112.073  266.141   16.094  270.113   16.697 -3.971954 23.19063 
1 1 1  -14   19   11 o  331.386   12.382  1384.92  102.461  1386.94  142.545  1382.75  147.380  329.615   17.379  328.848   18.016 0.7666321 25.03195 
1 1 1  -14   19   12 o  313.074   11.888  1234.98   92.944  1193.00  128.801  1280.59  134.253  305.848   16.930  316.870   17.029 -11.02151 24.01272 
1 1 1  -14   19   13 o  104.934   12.654  140.832   32.489  138.329   43.114  144.121   49.421  102.932   17.393  104.561   19.649 -1.628670 26.24100 
1 1 1  -14   19   14 o  174.964   10.658  386.359   46.346  361.878   62.271  416.759   69.391  168.421   14.962  180.690   15.529 -12.26901 21.56437 
1 1 1  -14   19   15 f  185.067   11.083  432.433   50.982  434.508   69.444  430.007   75.085  184.619   15.198  183.296   16.583 1.322281 22.49411 
1 1 1  -14   19   16 o  229.705   11.040  663.809   63.328  679.630   87.093  646.060   92.247  231.181   15.170  224.989   16.535 6.191422 22.43957 
1 1 1  -14   19   17 o  479.398   16.229  2916.33  194.280  2865.88  272.751  2968.28  276.800  471.322   23.174  479.713   23.106 -8.391113 32.72513 
1 1 1  -14   19   18 o  215.955   11.013  588.149   59.193  587.010   80.701  589.476   87.086  214.801   15.142  214.925   16.348 -0.1237335 22.28343 
1 1 1  -14   19   19 o  293.828   11.963  1087.49   87.776  1065.83  121.619  1111.04  126.811  289.157   16.917  295.115   17.283 -5.958069 24.18398 
1 1 1  -14   19   20 o  498.503   16.105  3152.60  200.486  3027.90  281.185  3281.55  285.934  484.419   23.244  504.688   22.688 -20.26886 32.48139 
1 1 1  -14   19   21 o  284.312   12.018  1018.34   85.322  1049.59  118.233  984.383  123.251  287.042   16.565  277.497   17.881 9.544312 24.37499 
1 1 1  -14   19   22 o  151.384   11.734  290.293   44.012  303.035   59.306  274.673   65.663  153.855   15.654  145.689   18.463 8.165741 24.20586 
1 1 1  -14   19   23 o  337.971   12.656  1440.68  106.817  1392.58  147.895  1493.14  154.443  330.126   18.008  341.805   18.159 -11.67923 25.57448 
1 1 1  -14   19   24 o  120.033   12.666  183.712   37.392  192.909   49.527  171.522   57.021  122.140   16.674  113.980   20.800 8.160492 26.65804 
1 1 1  -14   19   25 o  278.316   11.975  976.389   83.228  969.099  114.793  984.468  120.844  275.550   16.762  277.453   17.532 -1.902985 24.25564 
1 1 1  -14   19   26 o  146.743   12.179  273.433   44.227  296.981   59.836  245.073   65.664  152.092   15.994  136.969   19.770 15.12271 25.42976 
1 1 1  -14   19   27 o  339.875   13.022  1460.10  110.521  1559.06  154.403  1356.12  158.270  348.951   17.778  324.505   19.623 24.44586 26.47890 
1 1 1  -14   19   28 o  222.290   11.727  625.215   64.868  547.450   88.529  715.371   95.321  206.324   17.343  236.433   16.243 -30.10878 23.76212 
1 1 1  -14   19   29 o  151.604   11.709  291.939   43.985  261.483   58.864  330.441   66.185  142.089   16.923  159.977   16.819 -17.88797 23.85907 
1 1 1  -14   19   30 o  189.711   12.336  457.457   58.124  502.519   80.553  408.513   83.952  197.545   16.480  176.952   19.312 20.59358 25.38782 
1 1 1  -14   19   31 o  242.525   12.411  747.564   74.911  757.360  103.772  736.904  108.251  242.140   17.275  238.334   18.329 3.805740 25.18686 
1 1 1  -14   19   32 o  239.329   13.421  731.484   79.889  688.756  123.647  762.102  104.669  227.997   21.990  242.490   17.401 -14.49289 28.04192 
1 1 1  -14   19   33 o  172.756   15.763  386.732   67.253  386.732   67.253   0.0000   0.0000  172.756   15.763  ?   ?  0.000000 15.76280 
1 1 1  -14   19   34 o  214.318   11.823  585.932   63.033  601.445   87.099  568.872   91.338  215.105   16.337  208.450   17.715 6.654495 24.09771 
1 1 1  -14   19   35 o  116.981   20.008  185.076   56.348  225.504  139.691  177.220   61.580  119.586   39.892  113.311   22.556 6.274895 45.82766 
1 1 1  -14   19   36 o  230.168   18.834  702.923  107.305  534.039  187.768  784.828  130.762  179.947   42.469  240.769   21.991 -60.82150 47.82508 
1 1 1  -14   19   37 o  129.061   17.632  222.436   55.340  280.706  148.416  213.026   59.641  129.260   40.976  125.275   19.716 3.985031 45.47296 
1 1 1  -14   19   38 o  181.592   16.003  433.868   71.827  547.724  172.476  409.979   79.004  183.952   38.769  175.113   18.339 8.838348 42.88790 
1 1 1  -14   19   39 o  120.778   18.844  198.329   54.979  521.649  171.780  161.430   58.031  176.862   39.850  106.961   22.442 69.90168 45.73482 
1 1 1  -14   19   40 o   64.789   22.481   55.122   44.438  120.555  174.308   50.573   45.957   96.100   41.042   63.312   22.782 32.78853 46.94084 
1 1 1  -14   19   41 o   93.143   22.328  124.770   51.258   91.895  187.954  127.411   53.277   92.217   40.923   93.843   22.930 -1.626190 46.90945 
1 1 1  -14   19   42 f  128.534   20.062  230.766   62.291  374.513  214.486  217.526   65.096  128.161   48.638  123.509   21.908 4.651115 53.34397 
1 1 1  -14   20    1 o  112.868   12.225  163.016   33.907  142.301   43.830  193.889   53.507  104.023   17.494  121.595   18.180 -17.57187 25.22968 
1 1 1  -14   20    2 o  163.524   10.896  338.773   44.238  354.675   58.322  317.228   67.886  166.523   14.159  156.363   17.697 10.16051 22.66461 
1 1 1  -14   20    3 o  221.599   11.171  621.097   61.617  705.731   84.129  523.165   90.498  235.285   14.388  201.152   18.214 34.13261 23.21106 
1 1 1  -14   20    4 f  241.690   11.143  736.748   67.252  744.947   91.792  727.245   98.814  241.506   15.299  238.090   16.726 3.415939 22.66786 
1 1 1  -14   20    5 o  154.577   10.930  302.629   41.917  312.384   55.837  290.033   63.449  156.244   14.475  149.722   17.288 6.521988 22.54803 
1 1 1  -14   20    6 o  109.233   12.375  152.600   33.160  141.053   43.385  168.824   51.425  103.782   17.353  113.351   18.828 -9.568176 25.60524 
1 1 1  -14   20    7 o  248.748   11.535  780.333   71.650  787.679   97.569  771.734  105.560  248.360   15.814  245.272   17.346 3.088409 23.47314 
1 1 1  -14   20    8 o  161.848   21.175  342.978   83.531   0.0000   0.0000  342.978   83.531  ?   ?   161.848   21.175 0.000000 21.17545 
1 1 1  -14   20    9 o  205.073   14.819  536.067   75.377  554.182  107.036  518.245  106.167  206.423   21.059  199.317   21.680 7.106155 30.22441 
1 1 1  -14   20   10 o  175.159   10.962  387.818   47.707  380.613   63.494  397.159   72.297  172.634   14.874  175.883   16.659 -3.249420 22.33270 
1 1 1  -14   20   11 o  256.621   11.181  829.443   71.651  775.413   98.129  891.146  104.865  246.507   16.028  264.354   15.960 -17.84782 22.61909 
1 1 1  -14   20   12 o  356.434   13.092  1605.02  116.532  1624.82  162.404  1584.01  167.309  356.203   18.320  351.285   19.145 4.917084 26.49790 
1 1 1  -14   20   13 o  230.819   11.166  670.860   64.362  717.500   88.301  617.994   94.010  237.466   14.967  219.617   17.281 17.84877 22.86197 
1 1 1  -14   20   14 o  172.011   11.153  374.046   47.650  376.288   64.156  371.287   71.161  171.650   15.122  170.003   16.990 1.647537 22.74464 
1 1 1  -14   20   15 o  171.814   11.335  373.317   48.360  405.744   65.529  334.534   71.665  178.371   14.846  160.977   18.144 17.39359 23.44400 
1 1 1  -14   20   16 f  308.238   12.278  1198.14   94.510  1158.66  130.509  1241.66  137.044  301.140   17.429  311.669   17.681 -10.52963 24.82749 
1 1 1  -14   20   17 o  433.942   15.277  2387.33  165.547  2403.52  231.769  2370.47  236.542  432.228   21.473  428.305   22.192 3.923859 30.87998 
1 1 1  -14   20   18 o  222.320   11.299  623.873   62.525  602.146   85.027  649.456   92.264  217.289   15.778  225.488   16.500 -8.199188 22.82938 
1 1 1  -14   20   19 o  256.766   11.681  830.559   74.897  803.646  103.435  860.225  108.595  250.921   16.601  259.556   16.845 -8.635696 23.65099 
1 1 1  -14   20   20 o  147.780   12.065  277.064   44.134  337.096   59.531  203.803   65.764  162.493   14.834  124.110   22.026 38.38226 26.55565 
1 1 1  -14   20   21 o  269.583   11.652  915.562   78.439  857.571  107.541  981.484  114.660  259.185   16.704  277.373   16.630 -18.18845 23.57139 
1 1 1  -14   20   22 f  236.718   11.393  705.730   67.348  636.225   91.532  787.776   99.448  223.120   16.546  248.541   16.110 -25.42131 23.09321 
1 1 1  -14   20   23 o  120.409   12.870  185.073   38.098  169.889   50.206  205.684   58.496  114.037   18.245  125.426   19.295 -11.38849 26.55507 
1 1 1  -14   20   24 o  105.650   13.236  143.188   34.153   87.234   44.235  225.771   53.740   80.861   21.526  132.217   16.645 -51.35569 27.21078 
1 1 1  -14   20   25 o   97.336   14.258  122.452   33.629   95.253   43.844  161.318   52.411   84.397   20.911  110.598   19.699 -26.20113 28.72820 
1 1 1  -14   20   26 o  146.593   11.716  272.775   42.530  236.372   56.231  321.436   65.012  135.119   17.044  157.957   16.737 -22.83827 23.88792 
1 1 1  -14   20   27 o  129.625   12.198  214.097   39.020  197.653   51.488  236.283   59.807  123.269   17.195  134.656   18.257 -11.38739 25.07916 
1 1 1  -14   20   28 o  259.535   12.340  852.023   79.979  847.887  110.034  856.656  116.453  256.795   17.259  257.705   18.213 -0.9099731 25.09178 
1 1 1  -14   20   29 o  148.211   11.779  279.476   43.235  288.390   57.858  268.204   65.062  149.505   15.734  143.194   18.636 6.310562 24.38982 
1 1 1  -14   20   30 o  181.989   11.428  420.549   51.672  377.347   69.970  472.370   76.634  170.748   16.621  191.369   16.188 -20.62109 23.20115 
1 1 1  -14   20   31 o  261.258   15.340  876.987   99.639  979.020  185.561  835.648  118.111  267.497   28.204  253.216   18.813 14.28120 33.90299 
1 1 1  -14   20   32 o  194.096   11.945  480.153   57.618  470.661   78.376  491.316   84.993  190.354   16.656  194.019   17.739 -3.664780 24.33259 
1 1 1  -14   20   33 o  141.308   11.963  255.727   41.819  233.455   55.839  284.173   63.106  133.200   17.188  147.000   17.537 -13.79982 24.55603 
1 1 1  -14   20   34 o   99.642   21.494  136.589   51.912  143.710  124.644  135.094   57.100  101.069   37.340   98.348   23.559 2.721321 44.15150 
1 1 1  -14   20   35 o  102.008   21.488  143.719   53.009   85.560  130.448  155.223   58.015   89.418   36.635  105.599   22.677 -16.18044 43.08610 
1 1 1  -14   20   36 o  119.940   13.449  187.197   39.586  181.880   50.793  195.424   63.180  116.378   18.063  118.780   22.114 -2.402557 28.55359 
1 1 1  -14   20   37 o  164.173   12.286  347.456   50.005  358.802   68.090  334.173   73.675  164.658   16.795  157.566   19.116 7.091293 25.44556 
1 1 1  -14   20   38 o  250.200   16.343  824.380  101.548  998.877  219.582  776.908  114.531  252.913   35.765  240.491   19.232 12.42288 40.60797 
1 1 1  -14   20   39 o  135.863   18.805  250.609   62.091  269.614  177.133  247.947   66.298  120.727   44.531  134.196   20.428 -13.46915 48.99360 
1 1 1  -14   20   40 o   89.556   22.549  115.244   50.396  228.524  172.198  104.633   52.703  111.874   43.295   84.901   23.865 26.97371 49.43681 
1 1 1  -14   20   41 o   89.760   22.775  117.013   51.133  291.561  184.665  102.519   53.213  119.831   45.213   83.567   24.144 36.26442 51.25540 
1 1 1  -14   20   42 o   62.474   22.824   50.252   46.370 -58.3033  196.934   56.624   47.712   77.373   36.870   65.047   23.233 12.32522 43.57965 
1 1 1  -14   21    1 o   70.038   23.584   61.886   48.827   59.152   56.662   69.770   96.233   70.692   25.311   82.679   32.262 -11.98727 41.00629 
1 1 1  -14   21    2 o   98.449   13.666  125.441   32.690  129.062   41.994  119.872   52.079   98.803   17.669   93.901   22.503 4.901398 28.61095 
1 1 1  -14   21    3 o  182.326   11.354  421.647   51.439  522.267   68.666  292.971   77.651  202.316   13.671  148.644   21.548 53.67206 25.51881 
1 1 1  -14   21    4 o  230.960   11.426  673.875   65.897  761.863   89.917  571.785   96.854  244.189   14.816  209.971   18.666 34.21765 23.83145 
1 1 1  -14   21    5 o  172.264   10.933  375.836   46.787  364.217   62.391  390.766   70.725  168.526   14.981  174.144   16.459 -5.618057 22.25594 
1 1 1  -14   21    6 o  163.957   11.154  340.693   45.395  397.182   60.691  268.956   68.393  176.401   13.890  143.255   19.635 33.14680 24.05135 
1 1 1  -14   21    7 o  113.692   20.231  171.307   55.334   0.0000   0.0000  171.307   55.334  ?   ?   113.692   20.231 0.000000 20.23134 
1 1 1  -14   21    8 f   75.202   20.010   75.439   38.238   75.439   38.238   0.0000   0.0000   75.202   20.010  ?   ?  0.000000 20.01038 
1 1 1  -14   21    9 o   41.597   16.560   11.808   25.808   25.190   33.113  -8.8974   41.190   50.934   19.161   44.124   19.387 6.810154 27.25802 
1 1 1  -14   21   10 o  151.390   12.181  291.235   45.661  276.540   56.011  320.349   78.838  146.694   15.526  156.400   20.694 -9.706390 25.87104 
1 1 1  -14   21   11 o  155.292   15.124  309.049   57.907  287.427   82.939  329.613   80.886  147.137   23.353  158.641   20.929 -11.50452 31.35874 
1 1 1  -14   21   12 o  269.561   16.148  927.975  108.197  851.825  153.858  1002.48  152.184  254.551   24.507  277.547   22.142 -22.99611 33.02816 
1 1 1  -14   21   13 f  265.876   14.223  898.162   94.087  943.917  155.042  871.489  118.376  268.746   23.334  260.409   18.320 8.336273 29.66658 
1 1 1  -14   21   14 o  182.714   11.090  422.052   50.362  385.463   67.369  468.398   75.823  173.484   15.722  191.282   16.021 -17.79726 22.44649 
1 1 1  -14   21   15 o  246.961   11.297  768.488   69.669  711.843   94.743  835.180  102.802  236.044   16.171  255.757   16.180 -19.71265 22.87514 
1 1 1  -14   21   16 o  252.469   11.546  803.408   72.790  798.158   99.412  809.476  106.874  250.081   16.003  251.464   17.121 -1.382217 23.43559 
1 1 1  -14   21   17 o  223.118   11.317  628.766   62.850  683.321   85.479  564.564   92.729  231.684   14.853  209.570   17.890 22.11417 23.25225 
1 1 1  -14   21   18 o  313.119   12.430  1237.51   97.193  1218.49  134.173  1258.50  140.982  308.621   17.481  313.397   18.091 -4.775543 25.15746 
1 1 1  -14   21   19 o   85.162   16.139   95.117   33.065   75.632   42.929  123.534   51.845   75.620   21.638   96.011   22.084 -20.39082 30.91780 
1 1 1  -14   21   20 o  188.768   11.663  450.867   54.711  449.323   73.308  452.809   82.199  187.415   15.811  187.567   17.761 -0.1512909 23.77908 
1 1 1  -14   21   21 o  254.010   12.027  813.958   76.290  797.557  105.498  831.936  110.452  249.614   17.027  254.799   17.464 -5.184464 24.39077 
1 1 1  -14   21   22 o  145.255   11.974  267.937   43.046  230.426   56.871  318.255   65.868  133.306   17.507  157.133   17.060 -23.82648 24.44514 
1 1 1  -14   21   23 o   99.188   14.765  127.417   35.457  153.469   46.341   90.632   55.066  108.289   17.752   82.674   24.743 25.61568 30.45276 
1 1 1  -14   21   24 o  129.691   12.626  214.514   40.371  195.852   53.018  240.268   62.283  122.568   17.846  135.679   18.895 -13.11085 25.99047 
1 1 1  -14   21   25 o  300.867   11.988  1143.24   90.072  1056.06  123.560  1242.10  131.580  286.914   17.327  311.398   16.985 -24.48380 24.26333 
1 1 1  -14   21   26 o  193.791   11.563  475.813   55.702  444.323   74.973  514.609   83.218  185.906   16.315  199.992   16.819 -14.08557 23.43182 
1 1 1  -14   21   27 o  146.920   12.035  274.762   43.768  280.655   58.345  267.177   66.191  147.407   16.113  142.853   19.028 4.553940 24.93359 
1 1 1  -14   21   28 o  277.183   12.333  973.302   85.367  900.773  116.440  1057.59  125.526  264.084   17.760  286.296   17.644 -22.21228 25.03420 
1 1 1  -14   21   29 o  107.046   13.796  148.137   36.020  155.772   47.375  137.675   55.452  108.559   18.114  100.563   22.629 7.995888 28.98574 
1 1 1  -14   21   30 o  114.450   13.245  168.832   37.154  176.546   48.713  158.103   57.447  115.826   17.378  107.904   22.064 7.921898 28.08601 
1 1 1  -14   21   31 o   96.889   14.863  122.881   34.813   99.907   46.191  153.093   52.969   85.456   21.627  106.419   20.677 -20.96318 29.92097 
1 1 1  -14   21   32 o  117.292   13.102  177.682   37.720  172.449   49.221  185.128   58.712  113.943   17.888  116.971   20.865 -3.028320 27.48344 
1 1 1  -14   21   33 o  131.495   18.867  230.776   60.178  262.324  127.724  221.775   68.225  129.904   37.368  127.315   22.270 2.588516 43.50113 
1 1 1  -14   21   34 o  108.494   21.349  161.876   55.781  119.109  130.214  171.488   61.732   95.681   37.475  110.986   23.028 -15.30430 43.98516 
1 1 1  -14   21   35 o   68.809   23.029   62.670   46.551   24.414  139.663   67.452   49.375   80.956   35.631   71.062   23.717 9.894325 42.80319 
1 1 1  -14   21   36 o   81.799   14.918   89.265   29.350   76.663   36.646  111.810   49.015   74.498   19.478   89.153   22.122 -14.65513 29.47487 
1 1 1  -14   21   37 o  116.723   13.347  177.864   38.203  180.762   50.246  173.892   58.817  115.729   17.969  111.546   21.897 4.183746 28.32607 
1 1 1  -14   21   38 o  284.421   13.192  1045.23   93.700  1058.83  130.604  1030.81  134.505  281.028   18.718  276.345   19.619 4.682648 27.11518 
1 1 1  -14   21   39 o  168.425   17.922  381.818   74.219  251.652  178.143  409.158   81.643  116.265   44.277  173.532   19.160 -57.26633 48.24499 
1 1 1  -14   21   40 o   90.954   22.598  119.461   51.098   71.654  171.467  124.120   53.530   88.072   39.086   92.436   23.221 -4.363533 45.46294 
1 1 1  -14   21   41 o   77.345   23.754   87.257   50.295  282.635  195.547   73.417   52.046  115.916   45.760   71.974   24.349 43.94213 51.83488 
1 1 1  -14   21   42 o   68.039   23.643   64.743   49.157 -137.2936  206.100   76.930   50.618   72.849   35.450   72.781   24.001 0.6816101E-01 42.81059 
1 1 1  -14   22    1 o  101.208   13.841  133.132   34.064  123.973   44.576  145.986   52.812   95.950   19.273  103.679   21.115 -7.729683 28.58873 
1 1 1  -14   22    2 o   88.032   15.374  102.038   32.567   88.294   42.097  122.525   51.396   80.617   20.779   94.675   22.135 -14.05882 30.36034 
1 1 1  -14   22    3 o   79.495   24.306   84.967   52.725   45.975   61.093  198.770  104.373   67.550   25.881  117.208   33.799 -49.65769 42.56959 
1 1 1  -14   22    4 o  107.602   16.677  151.874   43.361  246.607   67.532   85.425   56.559  136.313   20.472   80.115   25.285 56.19757 32.53317 
1 1 1  -14   22    5 f  154.275   11.510  302.664   44.025  325.810   58.175  271.639   67.350  159.183   14.804  143.765   19.243 15.41791 24.27881 
1 1 1  -14   22    6 o  104.845   16.264  143.734   41.203  150.909   62.427  138.195   54.845  105.107   24.274  101.028   22.333 4.079155 32.98494 
1 1 1  -14   22    7 f   99.549   16.868  130.182   40.436  145.436   43.614   36.819  107.901  105.258   17.186   79.238   32.973 26.02048 37.18275 
1 1 1  -14   22    8 o  219.931   11.358  612.436   62.167  637.984   84.062  581.596   92.357  223.289   15.166  212.259   17.583 11.03004 23.21951 
1 1 1  -14   22    9 o   95.018   14.265  117.110   32.802  127.483   42.086  101.057   52.355   98.305   17.799   86.459   23.592 11.84599 29.55362 
1 1 1  -14   22   10 f  114.625   12.762  168.272   35.910  164.369   46.355  174.130   56.788  112.179   17.087  114.477   20.624 -2.298035 26.78272 
1 1 1  -14   22   11 o  241.247   11.577  734.744   69.746  752.019   94.975  714.521  102.756  242.451   15.773  235.615   17.591 6.835892 23.62679 
1 1 1  -14   22   12 f   99.831   13.952  128.724   33.832  112.365   43.658  153.316   53.527   91.795   19.639  107.293   20.728 -15.49776 28.55462 
1 1 1  -14   22   13 o   68.006   17.820   61.357   30.628   48.644   39.303   81.015   48.874   62.977   21.160   78.202   23.289 -15.22500 31.46642 
1 1 1  -14   22   14 o   69.457   21.926   62.092   42.529   45.867   68.375   72.330   54.314   70.381   27.269   75.469   24.861 -5.088173 36.90074 
1 1 1  -14   22   15 f  166.340   15.668  355.015   64.315  368.873   96.792  344.060   86.061  166.729   23.934  161.708   21.873 5.020599 32.42335 
1 1 1  -14   22   16 o  236.951   16.017  718.033   94.221  678.228  138.234  752.572  128.766  226.550   24.842  240.290   21.693 -13.74022 32.98039 
1 1 1  -14   22   17 f  247.979   14.323  782.438   88.319  833.751  147.429  753.714  110.302  252.030   23.703  241.906   18.397 10.12448 30.00525 
1 1 1  -14   22   18 o  208.204   11.539  548.437   59.759  553.191   79.721  542.340   90.287  208.036   15.456  205.205   17.795 2.830627 23.57039 
1 1 1  -14   22   19 o  255.508   12.154  824.473   77.548  821.406  105.466  828.083  114.418  253.223   16.774  253.698   18.181 -0.4751740 24.73666 
1 1 1  -14   22   20 o  181.555   11.641  417.572   52.498  426.373   70.117  406.343   79.196  182.455   15.537  177.279   18.145 5.175354 23.88819 
1 1 1  -14   22   21 o  190.585   11.903  460.341   56.365  433.965   74.812  494.972   85.722  183.773   16.477  195.941   17.711 -12.16896 24.19004 
1 1 1  -14   22   22 o  122.293   13.000  191.327   39.092  211.649   51.462  163.601   60.109  127.806   16.510  110.387   22.567 17.41855 27.96195 
1 1 1  -14   22   23 o  428.871   14.814  2338.53  158.658  2341.68  221.428  2335.21  227.445  425.435   20.842  423.853   21.560 1.583008 29.98724 
1 1 1  -14   22   24 o  175.845   11.385  391.975   49.725  321.433   65.481  488.059   76.422  157.685   16.892  195.010   15.830 -37.32512 23.15014 
1 1 1  -14   22   25 o   84.673   16.196   94.507   32.998   85.002   42.153  109.550   53.028   79.512   20.940   89.820   23.405 -10.30805 31.40534 
1 1 1  -14   22   26 o  325.956   12.705  1347.06  103.417  1241.86  141.671  1467.06  151.313  309.914   18.388  337.140   18.038 -27.22595 25.75843 
1 1 1  -14   22   27 o  237.835   12.100  718.522   71.629  715.318   97.321  722.309  105.808  235.524   16.655  236.011   18.091 -0.4870148 24.58959 
1 1 1  -14   22   28 o  271.546   12.365  935.913   83.848  940.890  114.775  930.217  122.789  269.770   17.126  267.474   18.497 2.296082 25.20799 
1 1 1  -14   22   29 o  284.826   12.543  1031.42   89.213  977.776  121.620  1093.90  131.265  274.298   17.853  289.954   18.221 -15.65585 25.50955 
1 1 1  -14   22   30 o   98.790   20.671  132.545   49.356  113.341  110.262  137.357   55.194   94.053   35.046   99.951   22.639 -5.898117 41.72216 
1 1 1  -14   22   31 o   55.662   19.659   36.631   34.068   36.631   34.068   0.0000   0.0000   55.662   19.659  ?   ?  0.000000 19.65857 
1 1 1  -14   22   32 o   94.467   22.353  123.830   51.910   99.035  121.488  129.368   57.415   91.271   36.057   96.041   24.006 -4.769936 43.31687 
1 1 1  -14   22   33 o  128.696   19.369  222.939   60.317  171.657  124.896  238.537   68.883  106.469   37.636  132.080   21.634 -25.61147 43.41071 
1 1 1  -14   22   34 o  156.690   18.623  328.196   71.440  241.718  141.049  358.036   82.854  121.278   40.068  162.398   20.917 -41.11964 45.19929 
1 1 1  -14   22   35 o  126.700   12.820  208.263   40.002  196.537   52.532  224.446   61.715  120.930   17.939  128.395   19.891 -7.465935 26.78603 
1 1 1  -14   22   36 o   56.749   16.766   43.214   25.407   37.277   30.687   56.152   45.304   54.501   18.695   65.673   22.704 -11.17126 29.41051 
1 1 1  -14   22   37 o   69.830   16.457   66.533   28.227   64.514   34.928   70.335   47.925   68.321   19.507   71.471   23.344 -3.150024 30.42097 
1 1 1  -14   22   38 f   78.554   15.727   83.565   29.775   76.513   36.396   97.834   51.771   74.024   19.440   82.399   23.816 -8.375290 30.74290 
1 1 1  -14   22   39 o  109.516   13.612  158.082   36.422  168.211   46.933  142.744   57.753  111.227   17.473   99.116   23.661 12.11083 29.41349 
1 1 1  -14   22   40 o   59.054   22.344   40.741   45.180  142.949  168.714   32.845   46.892   96.119   40.689   56.883   22.423 39.23649 46.45864 
1 1 1  -14   22   41 o  130.393   20.479  239.506   64.486   99.583  191.932  257.311   68.466   90.566   40.691  134.840   21.019 -44.27358 45.79873 
1 1 1  -14   23    1 o   70.930   17.581   68.231   30.983   80.598   40.734   51.256   47.724   76.551   20.777   64.917   23.231 11.63461 31.16667 
1 1 1  -14   23    2 o   96.715   14.433  122.582   33.791  148.322   44.321   86.846   52.222  105.549   17.423   79.516   24.163 26.03294 29.78970 
1 1 1  -14   23    3 o   42.814   17.184   12.413   28.027   27.949   36.026 -11.4088   44.609   52.742   19.953   44.947   19.942 7.794376 28.21010 
1 1 1  -14   23    4 o  200.185   11.241  509.643   55.968  594.188   74.512  400.190   84.780  215.178   13.942  173.900   19.880 41.27827 24.28151 
1 1 1  -14   23    5 o   71.753   24.509   65.201   52.739  105.392   61.278 -49.6149  103.572   87.522   26.081   63.382   29.027 24.14047 39.02295 
1 1 1  -14   23    6 o  134.516   19.693  239.855   64.193  286.897   77.617  138.027  114.194  146.403   21.903  101.158   35.963 45.24501 42.10814 
1 1 1  -14   23    7 o   45.626   17.732   17.628   28.979   33.133   35.537 -13.1516   50.068   54.934   19.994   47.659   21.137 7.275223 29.09517 
1 1 1  -14   23    8 o   38.968   16.373   3.5595   26.988 -11.4582   33.693   30.444   45.080   38.735   17.251   57.461   22.176 -18.72654 28.09548 
1 1 1  -14   23    9 o  205.074   11.269  533.212   57.490  542.794   76.789  520.991   86.718  205.702   15.054  200.576   17.488 5.125641 23.07483 
1 1 1  -14   23   10 o  201.207   11.417  513.370   57.127  539.703   76.637  480.440   85.701  205.173   15.063  192.416   18.047 12.75630 23.50702 
1 1 1  -14   23   11 o  179.008   11.369  406.492   50.558  412.707   66.845  398.184   77.287  179.324   15.067  175.141   17.924 4.182037 23.41516 
1 1 1  -14   23   12 o   54.970   18.251   37.195   29.252   32.823   37.394   44.089   46.960   55.623   20.469   63.079   22.980 -7.456375 30.77446 
1 1 1  -14   23   13 o  145.018   11.874  267.609   42.625  233.061   55.314  318.117   66.881  133.938   16.915  156.623   17.394 -22.68503 24.26232 
1 1 1  -14   23   14 o  200.797   11.487  510.906   57.362  524.587   76.528  493.364   86.657  202.361   15.256  195.254   17.975 7.107269 23.57616 
1 1 1  -14   23   15 o   89.332   16.018  104.763   34.421  135.781   44.781   59.978   53.809  101.358   18.369   70.664   24.726 30.69371 30.80231 
1 1 1  -14   23   16 o   92.959   15.598  112.971   34.926  141.854   45.607   72.015   54.309  103.688   18.282   75.174   24.864 28.51312 30.86189 
1 1 1  -14   23   17 o   85.874   16.791   97.373   34.718   93.268   44.845  103.512   54.848   83.235   21.443   87.456   24.262 -4.221214 32.37996 
1 1 1  -14   23   18 o  230.331   15.993  680.129   91.420  705.118  135.782  659.408  123.644  230.942   23.890  224.012   22.403 6.930069 32.75117 
1 1 1  -14   23   19 o  103.900   20.586  144.199   51.523  127.503   85.214  153.820   64.687   97.135   31.076  106.193   24.836 -9.057182 39.78165 
1 1 1  -14   23   20 o   75.230   22.797   74.783   46.531  132.757   83.547   48.714   56.025   98.612   30.670   67.371   25.006 31.24100 39.57201 
1 1 1  -14   23   21 o   88.862   21.937  106.743   48.386  103.388   85.547  108.322   58.672   89.931   31.193   89.292   25.209 0.6387711 40.10576 
1 1 1  -14   23   22 o  248.102   16.557  791.205  101.991  834.388  153.803  757.312  136.259  250.410   24.927  239.531   23.065 10.87874 33.96126 
1 1 1  -14   23   23 o  282.925   17.279  1031.37  121.496  1059.56  180.419  1007.99  164.345  281.440   25.964  275.715   24.112 5.725098 35.43331 
1 1 1  -14   23   24 f  191.796   16.691  475.251   79.147  439.394  125.179  499.132  102.158  178.515   29.082  194.565   21.378 -16.05067 36.09430 
1 1 1  -14   23   25 o  302.184   13.601  1162.08  102.631  1109.14  127.578  1259.18  172.775  292.932   17.521  308.804   22.561 -15.87137 28.56561 
1 1 1  -14   23   26 o  110.692   14.820  159.217   39.936  155.433   50.345  165.638   65.587  107.918   19.394  109.689   24.556 -1.770683 31.29134 
1 1 1  -14   23   27 o  106.840   21.131  154.405   54.381  113.780  100.884  171.043   64.564   93.491   33.739  111.561   23.895 -18.07019 41.34418 
1 1 1  -14   23   28 o  240.520   17.362  752.490  103.577  682.019  161.445  801.787  135.030  220.402   30.122  245.198   22.296 -24.79591 37.47583 
1 1 1  -14   23   29 o  145.493   18.986  280.716   67.337  252.549  127.299  291.659   79.346  128.511   37.405  146.762   22.357 -18.25119 43.57650 
1 1 1  -14   23   30 o   98.707   23.118  135.401   55.982   32.376  121.488  163.174   63.078   79.610   34.138  108.203   23.976 -28.59224 41.71644 
1 1 1  -14   23   31 o  105.834   21.095  153.597   53.793  106.451  110.412  168.271   61.599   91.059   34.815  109.988   23.159 -18.92832 41.81457 
1 1 1  -14   23   32 o  144.698   18.255  279.083   64.494  290.481  121.909  274.653   76.001  136.751   35.417  141.449   22.251 -4.698288 41.82661 
1 1 1  -14   23   33 o   74.588   23.045   76.853   47.258   18.891  113.080   89.119   52.019   74.094   32.349   79.715   24.092 -5.621689 40.33461 
1 1 1  -14   23   34 o  282.279   12.455  1023.17   87.795  995.750  119.858  1054.92  128.962  274.259   17.593  281.534   18.445 -7.274200 25.49048 
1 1 1  -14   23   35 o   72.688   16.254   71.789   28.764   70.429   35.698   74.308   48.567   71.317   19.490   73.242   23.464 -1.925858 30.50249 
1 1 1  -14   23   36 o   65.326   16.737   58.353   27.425   52.787   33.373   69.930   48.129   62.423   19.379   71.291   23.398 -8.868004 30.38171 
1 1 1  -14   23   37 o  131.747   12.978  226.366   42.142  217.849   55.223  238.240   65.207  126.848   17.934  131.217   20.577 -4.368423 27.29513 
1 1 1  -14   23   38 o   86.268   15.449  100.394   32.058   89.655   39.936  119.851   53.759   79.721   20.073   90.806   23.519 -11.08445 30.92079 
1 1 1  -14   23   39 o  176.112   13.128  405.279   57.322  426.926   77.366  378.933   85.352  177.663   17.673  164.556   21.268 13.10783 27.65264 
1 1 1  -14   23   40 o   77.182   16.204   81.954   30.236   79.006   37.082   87.799   52.226   74.530   19.646   77.311   24.282 -2.781052 31.23475 
1 1 1  -14   23   41 o  125.198   21.587  225.181   65.053  199.869  205.881  227.988   68.566  100.790   43.833  125.080   22.791 -24.29007 49.40431 
1 1 1  -14   24    1 o  187.170   14.862  458.242   68.893  588.355   99.588  338.832   95.404  209.105   19.289  154.010   25.713 55.09486 32.14422 
1 1 1  -14   24    2 o   62.846   18.176   53.496   30.145   42.032   39.370   69.738   46.864   58.966   21.100   71.575   23.061 -12.60938 31.25762 
1 1 1  -14   24    3 o   45.034   17.511   17.987   28.276   25.703   36.424   6.2858   44.855   51.699   19.939   49.205   20.912 2.494167 28.89406 
1 1 1  -14   24    4 o  128.661   12.734  213.673   40.375  271.265   52.907  133.364   62.476  144.296   14.897   96.904   25.480 47.39246 29.51516 
1 1 1  -14   24    5 o   53.251   20.154   28.833   36.766  104.331   57.929 -22.0909   47.576   86.392   25.257   44.089   19.991 42.30276 32.21170 
1 1 1  -14   24    6 o   86.526   19.519  101.774   41.170  101.774   41.170   0.0000   0.0000   86.526   19.519  ?   ?  0.000000 19.51863 
1 1 1  -14   24    7 o  201.971   11.855  520.109   59.528  637.969   78.824  363.657   90.816  222.768   14.244  164.094   22.777 58.67455 26.86406 
1 1 1  -14   24    8 o  135.250   20.148  244.001   65.973  307.358   78.962   97.519  120.064  151.475   21.476   92.220   36.022 59.25580 41.93839 
1 1 1  -14   24    9 o   49.065   19.373   19.070   35.053 -15.8745   50.313   52.032   48.864   47.077   21.014   66.081   23.522 -19.00411 31.54160 
1 1 1  -14   24   10 o  143.654   11.890  263.460   42.270  286.440   54.727  229.477   66.551  148.924   14.917  130.941   21.067 17.98306 25.81353 
1 1 1  -14   24   11 o  115.006   13.287  170.416   37.456  171.067   48.069  169.410   59.762  113.998   17.440  111.804   22.188 2.194038 28.22189 
1 1 1  -14   24   12 o  136.444   12.071  237.803   40.704  228.416   52.753  251.615   63.990  132.491   16.287  138.174   19.052 -5.682785 25.06502 
1 1 1  -14   24   13 o   45.118   17.740   16.008   29.278  -8.8165   36.258   62.528   49.635   41.031   18.102   70.422   23.778 -29.39052 29.88501 
1 1 1  -14   24   14 o  195.731   11.531  486.467   56.114  493.057   74.367  477.754   85.509  195.820   15.330  191.664   18.079 4.155411 23.70402 
1 1 1  -14   24   15 o   83.674   16.833   92.910   33.955   84.104   43.497  106.647   54.327   78.922   21.491   88.366   23.999 -9.444336 32.21516 
1 1 1  -14   24   16 o  200.281   11.386  508.930   56.708  512.919   75.258  503.689   86.257  199.840   15.194  197.047   17.719 2.793381 23.34192 
1 1 1  -14   24   17 o  185.372   11.365  436.166   52.357  392.439   68.737  496.601   80.809  174.402   15.960  196.076   16.662 -21.67311 23.07218 
1 1 1  -14   24   18 o   90.979   16.254  109.030   35.572  140.818   46.497   64.164   55.239  102.941   18.780   72.190   25.064 30.75105 31.31903 
1 1 1  -14   24   19 o  145.707   12.424  271.079   44.775  264.037   58.779  280.816   69.111  142.484   16.846  146.075   19.428 -3.591217 25.71429 
1 1 1  -14   24   20 o  179.783   11.671  410.856   52.112  379.528   68.464  454.007   80.349  171.353   16.192  187.069   17.400 -15.71597 23.76806 
1 1 1  -14   24   21 o  211.376   11.884  567.843   62.476  576.981   83.510  556.227   94.152  211.619   15.919  206.678   18.436 4.940872 24.35805 
1 1 1  -14   24   22 o   57.079   18.947   40.571   31.524   28.395   39.841   60.958   51.553   54.653   20.909   70.130   24.221 -15.47754 31.99767 
1 1 1  -14   24   23 o  248.290   14.994  791.630   92.528  811.397  155.091  780.706  115.295  245.006   25.733  244.522   19.032 0.4838257 32.00634 
1 1 1  -14   24   24 o  259.210   17.052  870.426  109.760  869.843  165.056  870.888  146.963  252.813   26.541  255.353   23.304 -2.540024 35.31956 
1 1 1  -14   24   25 o  153.571   17.946  309.493   67.524  215.495  111.893  363.331   84.682  120.691   35.051  165.145   21.010 -44.45396 40.86535 
1 1 1  -14   24   26 o  297.385   17.913  1152.57  132.404  1218.31  198.726  1100.10  177.552  298.072   26.991  284.754   25.230 13.31808 36.94720 
1 1 1  -14   24   27 o  319.410   19.053  1339.36  151.279  1290.10  225.751  1379.50  203.810  302.546   30.287  317.727   25.913 -15.18091 39.85994 
1 1 1  -14   24   28 o  112.658   21.145  172.926   57.302   78.635  106.595  211.248   67.956   84.999   33.712  124.049   22.776 -39.05027 40.68518 
1 1 1  -14   24   29 o  127.488   23.756  225.418   72.848   0.0000   0.0000  225.418   72.848  ?   ?   127.488   23.756 0.000000 23.75611 
1 1 1  -14   24   30 o  103.354   22.041  148.200   55.150  124.588  108.918  156.342   63.955   94.598   34.914  105.024   24.785 -10.42637 42.81701 
1 1 1  -14   24   31 o   66.692   17.892   60.566   30.416   42.130   37.725   94.807   51.414   58.663   20.690   82.098   23.736 -23.43470 31.48766 
1 1 1  -14   24   32 o  120.119   13.447  188.055   39.643  178.617   51.460  201.830   62.173  114.919   18.565  120.897   21.376 -5.978096 28.31212 
1 1 1  -14   24   33 o   67.373   17.370   62.091   29.411   74.664   36.668   39.410   49.248   73.393   19.627   60.553   23.228 12.84085 30.40949 
1 1 1  -14   24   34 o  166.915   11.705  358.894   48.481  312.062   63.498  424.357   75.073  153.060   16.894  178.625   17.037 -25.56540 23.99321 
1 1 1  -14   24   35 o  156.299   12.279  316.237   47.542  284.929   62.483  359.282   73.266  145.682   17.527  163.301   18.280 -17.61974 25.32503 
1 1 1  -14   24   36 o   95.141   14.410  120.330   33.164  105.354   41.232  147.774   55.816   86.886   19.484  101.729   22.563 -14.84240 29.81109 
1 1 1  -14   24   37 o   86.352   15.411  100.591   32.012   92.964   39.517  115.153   54.600   81.300   19.677   88.750   24.041 -7.450241 31.06672 
1 1 1  -14   24   38 o   87.855   15.243  104.195   32.230  101.645   40.115  108.840   54.132   85.008   19.334   85.941   24.197 -0.9333420 30.97196 
1 1 1  -14   24   39 f  154.617   13.228  313.947   50.584  340.099   66.981  279.231   77.171  158.365   17.214  139.198   23.004 19.16763 28.73211 
1 1 1  -14   24   40 o   32.613   14.151  -1.1225   21.361 -10.1914   23.984   33.678   46.982   31.595   14.272   56.691   22.414 -25.09604 26.57194 
1 1 1  -14   25    1 o   80.820   16.341   89.381   31.847   91.109   43.246   87.334   47.074   79.743   21.310   77.752   22.779 1.991013 31.19290 
1 1 1  -14   25    2 o  214.003   11.535  590.159   61.418  718.219   83.512  439.295   90.643  234.195   14.349  178.451   20.727 55.74440 25.20891 
1 1 1  -14   25    3 o  115.204   17.163  178.735   47.867  222.570   69.140  138.385   66.336  125.554   22.896   96.725   26.624 28.82911 35.11452 
1 1 1  -14   25    4 o   93.850   23.282  125.562   54.301   0.0000   0.0000  125.562   54.301  ?   ?    93.850   23.282 0.000000 23.28185 
1 1 1  -14   25    5 o   66.291   21.347   58.955   40.161   58.955   40.161   0.0000   0.0000   66.291   21.347  ?   ?  0.000000 21.34733 
1 1 1  -14   25    6 o   72.170   17.547   70.929   31.316   86.489   39.868   45.861   50.603   79.117   20.130   63.455   23.723 15.66204 31.11257 
1 1 1  -14   25    7 o   94.249   14.652  117.068   33.364  112.579   42.224  124.529   54.438   90.833   19.215   94.184   23.279 -3.351128 30.18494 
1 1 1  -14   25    8 o  251.655   12.101  808.081   76.049  979.083  103.245  605.261  112.441  275.002   15.092  212.071   21.531 62.93169 26.29327 
1 1 1  -14   25    9 o   90.864   15.384  109.198   33.662  140.817   42.567   56.414   54.998  102.838   17.182   68.549   24.885 34.28829 30.24016 
1 1 1  -14   25   10 o  182.031   18.393  436.649   82.462  516.077  101.329  280.889  141.898  196.551   20.968  133.601   39.659 62.94955 44.86117 
1 1 1  -14   25   11 o  101.564   23.237  142.793   57.659  178.194   65.999   28.678  118.496  113.379   24.056   78.691   33.729 34.68819 41.42840 
1 1 1  -14   25   12 o   47.916   18.194   22.239   30.023   42.765   38.303 -10.4658   48.349   59.582   20.861   47.140   20.845 12.44143 29.49067 
1 1 1  -14   25   13 o  166.282   11.884  353.026   49.022  394.796   64.229  294.740   75.872  174.842   14.851  148.350   21.073 26.49214 25.78049 
1 1 1  -14   25   14 o  117.067   13.510  177.095   38.769  181.236   49.517  170.534   62.322  117.175   17.455  111.481   23.144 5.693253 28.98865 
1 1 1  -14   25   15 o  148.432   12.334  281.970   45.302  287.761   59.251  273.821   70.285  148.666   16.223  143.405   20.185 5.260986 25.89699 
1 1 1  -14   25   16 o   96.914   15.548  123.407   36.356  112.239   46.573  140.828   58.168   90.771   20.969  101.068   23.493 -10.29702 31.49004 
1 1 1  -14   25   17 o  106.909   14.607  148.822   37.977  173.163   49.121  112.654   59.877  114.432   17.766   90.148   25.472 24.28412 31.05549 
1 1 1  -14   25   18 o   66.850   18.758   59.855   32.590   69.737   41.449   43.856   52.742   72.086   21.443   64.218   24.177 7.868629 32.31620 
1 1 1  -14   25   19 o  105.391   14.686  144.788   37.600  142.002   48.088  149.169   60.314  102.832   19.439  103.961   23.752 -1.129303 30.69256 
1 1 1  -14   25   20 o  117.573   13.460  178.544   38.805  155.645   50.175  212.628   61.215  107.778   19.354  126.085   20.118 -18.30690 27.91620 
1 1 1  -14   25   21 o   88.940   16.363  104.962   35.004   82.745   44.803  139.772   56.081   77.926   22.039  100.796   22.812 -22.87043 31.71899 
1 1 1  -14   25   22 o  120.509   13.517  187.683   39.976  167.889   51.665  217.216   63.106  112.012   19.159  127.158   20.576 -15.14643 28.11523 
1 1 1  -14   25   23 o   87.239   16.515  101.334   34.660   84.743   44.101  128.140   56.057   78.695   21.727   96.090   23.546 -17.39562 32.03856 
1 1 1  -14   25   24 o  101.480   14.919  134.989   36.679  134.554   47.057  135.663   58.550   99.737   19.593   98.640   23.998 1.096954 30.98065 
1 1 1  -14   25   25 o  111.631   13.724  161.895   37.451  134.944   47.744  204.998   60.380   99.696   19.875  123.260   20.325 -23.56398 28.42722 
1 1 1  -14   25   26 o  255.212   11.983  830.387   76.369  797.739  101.929  872.170  115.309  247.325   16.600  257.676   18.034 -10.35141 24.51061 
1 1 1  -14   25   27 o  351.117   13.964  1585.50  122.438  1497.33  167.199  1687.44  179.794  335.589   20.043  356.029   20.307 -20.44037 28.53236 
1 1 1  -14   25   28 o  115.037   22.684  183.858   62.847   0.0000   0.0000  183.858   62.847  ?   ?   115.037   22.684 0.000000 22.68356 
1 1 1  -14   25   29 o  187.903   16.516  464.388   76.710  464.388   76.710   0.0000   0.0000  187.903   16.516  ?   ?  0.000000 16.51585 
1 1 1  -14   25   30 o  153.734   12.025  304.455   45.797  270.935   59.302  353.989   72.089  142.817   16.960  162.868   18.027 -20.05188 24.75081 
1 1 1  -14   25   31 o  122.904   13.000  196.558   39.293  169.580   50.433  238.225   62.678  111.667   18.751  132.324   19.557 -20.65679 27.09380 
1 1 1  -14   25   32 o  101.997   14.640  137.753   36.220  159.581   45.985  102.076   58.789  108.670   17.543   84.090   25.656 24.57985 31.08055 
1 1 1  -14   25   33 o   65.374   17.750   58.740   29.723   39.757   36.295   97.393   51.791   56.874   20.269   82.343   23.827 -25.46912 31.28204 
1 1 1  -14   25   34 o   87.461   16.145  103.490   33.964  123.314   42.842   69.956   55.721   94.503   18.816   71.854   25.160 22.64883 31.41757 
1 1 1  -14   25   35 o  161.298   12.184  337.242   48.716  309.988   63.679  375.699   75.644  151.962   17.076  166.465   18.510 -14.50369 25.18413 
1 1 1  -14   25   36 o   51.066   17.296   33.280   26.261   39.398   31.170   18.315   48.748   55.240   18.843   53.334   22.175 1.906090 29.09962 
1 1 1  -14   25   37 o  107.671   14.086  153.956   36.967  141.303   46.467  175.769   61.013  100.625   19.192  110.246   22.910 -9.620789 29.88675 
1 1 1  -14   25   38 o   61.323   17.407   52.184   27.897   51.337   33.200   54.221   51.455   61.039   19.383   64.808   23.982 -3.768738 30.83591 
1 1 1  -14   25   39 o   51.232   17.121   34.453   25.729   23.981   29.757   65.473   51.215   47.393   18.085   68.401   24.109 -21.00813 30.13834 
1 1 1  -14   25   40 o   94.021   15.110  120.241   34.275  101.015   41.542  161.239   60.662   83.526   20.149  103.473   23.950 -19.94730 31.29864 
1 1 1  -14   26    1 o   49.626   17.981   30.119   28.696   45.546   41.094   15.436   40.089   59.131   21.504   48.301   20.099 10.82962 29.43397 
1 1 1  -14   26    2 o   40.930   17.056   8.5267   28.929   24.149   39.602  -9.3483   42.362   51.153   20.464   42.965   19.223 8.188305 28.07672 
1 1 1  -14   26    3 o   77.094   23.858   86.992   50.626   0.0000   0.0000   86.992   50.626  ?   ?    77.094   23.858 0.000000 23.85783 
1 1 1  -14   26    4 o  109.650   17.191  163.672   45.523  156.486   48.370  219.393  134.689  106.279   18.919  110.709   39.089 -4.430046 43.42691 
1 1 1  -14   26    5 o  103.263   17.746  145.621   44.113  117.033   62.344  174.283   62.426   88.770   26.273  110.001   23.443 -21.23087 35.21154 
1 1 1  -14   26    6 o   73.023   17.717   73.542   31.977   49.614   41.108  110.205   50.885   62.009   21.617   87.624   22.973 -25.61529 31.54446 
1 1 1  -14   26    7 o   72.567   17.715   72.384   31.821   66.131   40.441   82.550   51.561   69.236   21.306   76.576   24.139 -7.340424 32.19695 
1 1 1  -14   26    8 o   34.177   15.266  -9.0424   26.595 -32.4533   32.958   34.653   45.026   33.014   15.538   57.703   22.192 -24.68975 27.09088 
1 1 1  -14   26    9 o   89.573   15.334  106.901   33.066  130.290   41.908   68.327   53.820   98.164   17.749   71.793   24.750 26.37089 30.45688 
1 1 1  -14   26   10 o   55.963   18.347   40.351   29.596   59.231   36.698   5.2269   50.054   66.188   20.285   51.223   21.938 14.96409 29.87846 
1 1 1  -14   26   11 o   45.921   17.682   19.711   28.608   18.057   36.102   22.502   46.902   48.749   19.526   54.761   22.142 -6.012466 29.52128 
1 1 1  -14   26   12 o  169.183   11.812  366.913   49.588  431.424   64.721  275.210   77.166  182.442   14.321  141.529   22.593 40.91290 26.74991 
1 1 1  -14   26   13 o  116.958   22.109  188.375   62.207  187.213   69.539  193.029  139.183  115.264   24.888  111.760   39.706 3.504578 46.86152 
1 1 1  -14   26   14 o   84.122   24.280   98.891   53.839  107.107   58.899   57.137  132.772   87.234   25.458   85.447   36.129 1.786766 44.19758 
1 1 1  -14   26   15 o  146.681   14.647  279.603   52.935  267.891   78.486  289.377   71.695  139.525   23.352  146.823   20.081 -7.298431 30.79843 
1 1 1  -14   26   16 o  178.841   12.023  409.480   53.384  408.239   69.489  411.267   83.389  176.956   15.895  175.896   19.302 1.060471 25.00418 
1 1 1  -14   26   17 o   89.351   16.297  106.374   35.022  111.125   44.621   98.753   56.519   90.071   20.322   84.184   25.039 5.887024 32.24747 
1 1 1  -14   26   18 o   90.316   16.459  108.745   35.752  123.280   45.498   85.282   57.807   95.153   19.793   79.166   25.624 15.98786 32.37783 
1 1 1  -14   26   19 o   41.567   17.213   7.6142   29.203 -14.4085   36.574   46.355   48.508   39.526   17.760   63.446   23.319 -23.92062 29.31206 
1 1 1  -14   26   20 o   75.531   17.891   77.351   33.227   77.705   41.803   76.743   54.757   75.291   21.286   75.679   24.963 -0.3876266 32.80653 
1 1 1  -14   26   21 o  130.165   13.423  219.299   43.006  222.080   55.406  215.083   68.211  129.407   17.602  125.024   22.683 4.382965 28.71175 
1 1 1  -14   26   22 o   44.952   17.639   16.890   28.890   20.201   35.670   10.576   49.257   49.442   19.536   52.497   22.091 -3.054977 29.49000 
1 1 1  -14   26   23 o  182.470   12.107  426.896   54.852  460.929   72.117  380.187   84.488  188.102   15.491  168.081   20.558 20.02049 25.74056 
1 1 1  -14   26   24 o  190.851   11.997  466.931   56.886  457.304   74.206  480.652   88.588  186.971   16.049  190.074   18.915 -3.103760 24.80619 
1 1 1  -14   26   25 o   73.062   17.995   72.829   32.616   83.949   40.718   52.918   54.484   77.900   20.611   66.811   24.687 11.08950 32.16004 
1 1 1  -14   26   26 o  123.856   13.262  199.334   40.380  167.165   51.389  251.252   65.285  110.929   19.249  136.242   19.766 -25.31306 27.59034 
1 1 1  -14   26   27 o  319.451   16.570  1339.72  131.730  1315.46  224.977  1352.37  162.500  299.859   30.468  316.724   20.659 -16.86499 36.81152 
1 1 1  -14   26   28 o   89.326   19.494  110.198   42.264   82.408   43.476  587.768  180.228   76.724   21.714  189.803   39.318 -113.0790 44.91551 
1 1 1  -14   26   29 o  144.177   12.376  269.030   44.128  249.979   56.714  298.259   70.248  136.865   16.957  148.233   19.447 -11.36853 25.80130 
1 1 1  -14   26   30 o  126.815   13.251  209.907   41.345  197.864   52.834  228.932   66.407  120.911   18.051  128.288   21.489 -7.376892 28.06439 
1 1 1  -14   26   31 o   67.955   18.321   63.833   31.797   82.275   39.051   27.550   54.773   76.582   20.148   58.368   23.806 18.21458 31.18806 
1 1 1  -14   26   32 o   90.358   15.709  109.970   34.160   93.969   42.796  138.066   56.708   81.468   20.926   97.747   23.518 -16.27949 31.47994 
1 1 1  -14   26   33 o   83.862   16.123   95.530   32.539  103.234   40.275   81.049   55.215   85.980   19.239   75.582   25.074 10.39746 31.60448 
1 1 1  -14   26   34 o   91.495   15.884  113.220   34.974   98.784   43.305  140.300   59.311   83.323   20.860   97.746   24.380 -14.42312 32.08643 
1 1 1  -14   26   35 o   95.171   15.063  121.666   34.606   86.024   42.567  191.143   59.431   77.491   21.326  116.255   21.255 -38.76388 30.10896 
1 1 1  -14   26   36 o   74.320   17.327   76.814   31.564   71.846   37.821   88.213   57.291   71.095   20.299   77.572   25.532 -6.476967 32.61765 
1 1 1  -14   26   37 o   58.831   17.624   47.774   27.927   30.451   32.653   94.965   53.894   51.253   19.077   79.865   24.599 -28.61229 31.12961 
1 1 1  -14   26   38 o   52.908   17.509   37.250   26.928   25.721   31.518   68.410   51.816   48.736   18.609   69.425   24.265 -20.68890 30.57941 
1 1 1  -14   26   39 o   70.469   17.284   70.041   30.185   79.690   35.972   47.077   55.494   74.442   19.219   62.517   24.470 11.92508 31.11525 
1 1 1  -14   27    1 o   91.200   26.157  135.163   62.664  120.994   72.047  179.184  126.992   84.636   28.648   93.652   36.907 -9.016472 46.72034 
1 1 1  -14   27    2 o   70.893   18.443   72.570   32.961   68.287   46.429   76.922   46.801   68.008   22.997   71.483   23.047 -3.474884 32.55856 
1 1 1  -14   27    3 f   31.375   14.612 -21.3755   27.893   48.672   38.698 -97.1166   40.240   59.739   20.965   28.194   14.069 31.54478 25.24780 
1 1 1  -14   27    4 o   63.445   18.724   56.997   31.702   27.521   41.921   96.370   48.451   52.845   21.084   80.276   22.993 -27.43149 31.19634 
1 1 1  -14   27    5 o   45.217   17.694   19.558   29.009  -9.0081   38.198   58.482   44.589   40.858   18.269   65.048   22.522 -24.19012 29.00025 
1 1 1  -14   27    6 o   93.143   15.363  117.454   34.487  127.880   44.988  102.597   53.706   95.153   19.586   83.013   24.334 12.14035 31.23666 
1 1 1  -14   27    7 o   94.562   18.922  124.851   43.123  157.928   61.383   92.618   60.595  103.546   24.178   79.345   26.265 24.20043 35.69876 
1 1 1  -14   27    8 o   50.055   19.790   22.927   36.628 -13.5563   53.633   54.817   50.142   47.828   21.498   65.285   23.752 -17.45640 32.03568 
1 1 1  -14   27    9 o  106.330   14.221  149.701   36.814  203.763   47.317   66.784   58.599  123.603   15.683   70.973   25.699 52.63020 30.10584 
1 1 1  -14   27   10 o   55.537   18.340   40.257   29.553   30.579   36.822   57.777   49.540   53.220   20.163   66.636   23.687 -13.41587 31.10695 
1 1 1  -14   27   11 o   68.933   17.838   65.450   30.942   69.869   38.839   57.771   51.195   70.834   20.673   67.078   24.055 3.755836 31.71766 
1 1 1  -14   27   12 o  113.626   13.374  168.867   37.221  188.046   46.974  136.506   61.017  118.760   16.267   96.999   25.025 21.76105 29.84683 
1 1 1  -14   27   13 o   87.494   16.596  103.406   34.934   95.936   44.473  115.439   56.448   82.618   21.389   89.577   24.520 -6.959061 32.53738 
1 1 1  -14   27   14 o   46.757   18.034   20.761   29.801   18.093   37.497   25.335   49.099   49.189   19.830   56.147   22.671 -6.958443 30.11957 
1 1 1  -14   27   15 o  112.445   14.632  166.372   40.112  197.460   50.152  111.182   66.823  121.643   16.973   87.735   27.453 33.90785 32.27563 
1 1 1  -14   27   16 o  151.858   19.807  312.020   73.325  343.139   84.027  212.669  150.139  158.072   21.873  113.636   41.137 44.43578 46.59026 
1 1 1  -14   27   17 o   65.356   23.373   53.238   48.305   86.448   51.744 -171.9675  134.746   78.566   24.088   59.357   28.833 19.20926 37.57103 
1 1 1  -14   27   18 o  138.282   15.141  250.912   51.430  271.277   74.847  232.696   70.788  140.245   22.104  129.346   22.746 10.89909 31.71680 
1 1 1  -14   27   19 o   87.929   16.616  104.079   35.148  117.518   44.709   82.333   56.873   92.292   19.978   77.268   25.439 15.02364 32.34610 
1 1 1  -14   27   20 o   93.279   15.887  116.187   35.679  103.943   45.115  136.632   58.298   86.314   21.107   97.964   24.016 -11.64965 31.97274 
1 1 1  -14   27   21 o  103.681   15.351  142.446   38.545  130.318   48.903  162.340   62.633   96.904   20.829  106.883   24.048 -9.978859 31.81426 
1 1 1  -14   27   22 o   94.444   16.028  119.291   36.450  129.396   45.967  102.175   59.825   96.994   19.651   84.552   25.897 12.44193 32.50876 
1 1 1  -14   27   23 o  185.325   11.930  441.762   54.917  415.660   71.337  479.737   86.044  177.534   16.272  189.447   18.421 -11.91307 24.57851 
1 1 1  -14   27   24 f   73.429   19.164   74.580   35.515   39.459   46.752  122.501   54.611   59.849   22.709   92.604   23.559 -32.75445 32.72208 
1 1 1  -14   27   25 o   72.198   18.383   71.891   33.230   60.083   41.418   93.224   55.671   66.678   21.697   80.854   25.018 -14.17535 33.11594 
1 1 1  -14   27   26 o  184.599   12.125  439.691   55.585  452.089   72.773  422.329   86.119  185.083   15.900  176.203   19.922 8.879944 25.48889 
1 1 1  -14   27   27 o  225.074   14.067  660.529   78.665  640.018  116.262  677.848  106.832  215.194   21.942  223.928   19.293 -8.733658 29.21774 
1 1 1  -14   27   28 o  106.271   14.900  150.067   38.455  159.582   48.674  134.265   62.727  107.867   18.751   95.434   25.733 12.43316 31.84003 
1 1 1  -14   27   29 o   51.984   18.150   33.503   28.985   67.867   35.395 -36.4545   50.502   69.735   19.542   42.239   19.668 27.49591 27.72560 
1 1 1  -14   27   30 o   88.872   16.005  106.932   34.214   80.950   42.386  155.521   57.964   75.478   21.467  103.999   22.935 -28.52080 31.41478 
1 1 1  -14   27   31 o   85.851   16.474  100.498   34.034   92.203   42.121  116.099   57.767   80.521   20.801   88.651   25.009 -8.130424 32.52840 
1 1 1  -14   27   32 o   53.708   18.428   36.926   29.820   37.128   35.940   36.477   53.422   55.329   20.112   60.048   23.850 -4.718956 31.19796 
1 1 1  -14   27   33 o  136.019   17.117  250.469   56.852  235.874   59.082  432.901  208.881  131.076   18.570  140.395   48.739 -9.318802 52.15700 
1 1 1  -14   27   34 o  106.085   14.191  149.851   36.653  102.644   45.196  240.550   62.646   84.346   21.418  131.472   19.687 -47.12617 29.09149 
1 1 1  -14   27   35 o   78.677   17.270   86.115   33.001   89.197   40.251   79.794   57.638   78.863   20.314   74.298   25.613 4.565315 32.69123 
1 1 1  -14   27   36 o   73.250   17.784   75.479   32.203   80.388   38.950   64.876   57.248   74.702   20.335   68.906   25.331 5.796555 32.48352 
1 1 1  -14   27   37 o   53.399   17.885   37.964   28.079   48.250   32.744   9.3801   54.582   59.144   19.294   52.405   22.680 6.738926 29.77639 
1 1 1  -14   27   38 o   99.618   15.246  135.223   36.719  115.389   44.582  177.061   64.749   89.023   20.480  107.752   24.604 -18.72980 32.01244 
1 1 1  -14   28    1 o   60.351   24.470   46.749   57.459   1.4789   64.571  218.949  125.935   52.021   23.466   97.375   37.194 -45.35379 43.97720 
1 1 1  -14   28    2 o   54.467   23.480   21.037   58.048   27.993   65.238  -5.4055  127.191   57.842   24.914   65.027   30.579 -7.184444 39.44346 
1 1 1  -14   28    3 o   50.226   22.553  -2.0370   58.867  -2.0370   58.867   0.0000   0.0000   50.226   22.553  ?   ?  0.000000 22.55280 
1 1 1  -14   28    4 o   36.770   16.140  -1.7985   28.485 -31.3545   39.980   28.674   40.595   36.580   17.183   52.054   20.754 -15.47383 26.94445 
1 1 1  -14   28    5 o   61.759   18.513   54.582   30.808   34.891   41.635   78.410   45.801   54.740   21.260   72.132   22.752 -17.39211 31.13879 
1 1 1  -14   28    6 o   47.481   18.063   25.102   29.629   39.691   39.559   6.4619   44.717   56.233   20.984   47.470   20.536 8.763863 29.36090 
1 1 1  -14   28    7 o   41.805   17.170   11.679   28.741 -28.6925   37.261   70.980   45.160   35.866   16.765   69.702   22.655 -33.83654 28.18340 
1 1 1  -14   28    8 o  122.068   13.156  197.303   39.469  264.491   51.867  104.875   60.834  140.357   15.032   82.551   26.241 57.80599 30.24147 
1 1 1  -14   28    9 o  150.299   12.907  296.903   47.974  371.361   59.591  159.767   80.873  167.204   14.413   99.235   30.051 67.96867 33.32808 
1 1 1  -14   28   10 o   50.984   19.828   26.646   36.255   56.910   50.880  -4.5718   51.675   65.596   23.916   48.498   21.493 17.09878 32.15484 
1 1 1  -14   28   11 o   97.255   15.415  127.650   36.189  161.087   46.179   74.431   58.259  108.307   17.684   72.776   25.707 35.53110 31.20229 
1 1 1  -14   28   12 o   85.283   16.292   99.312   33.431  119.428   41.954   64.320   55.334   92.550   18.794   69.215   24.986 23.33582 31.26543 
1 1 1  -14   28   13 o   86.137   16.562  101.338   34.332   78.847   43.068  140.543   56.862   74.339   21.791   98.218   23.499 -23.87925 32.04704 
1 1 1  -14   28   14 o   97.007   15.423  126.384   36.110  138.765   45.857  106.178   58.585  100.038   19.052   84.845   25.551 15.19314 31.87216 
1 1 1  -14   28   15 o  101.775   14.899  138.115   36.746  161.016   46.853  101.519   59.227  108.617   17.897   83.210   25.814 25.40636 31.41142 
1 1 1  -14   28   16 o   81.682   17.018   91.380   33.585  105.661   42.501   67.635   54.803   86.745   20.026   70.800   24.941 15.94447 31.98594 
1 1 1  -14   28   17 o   94.736   15.773  120.684   36.003  136.599   45.528   94.121   58.820   99.443   19.027   80.673   25.820 18.77052 32.07320 
1 1 1  -14   28   18 o   64.042   19.068   56.370   32.765   57.733   40.242   53.691   56.435   65.248   21.395   66.510   25.016 -1.262558 32.91674 
1 1 1  -14   28   19 o   52.982   20.461   28.558   38.398   33.182   39.864 -30.8775  142.910   55.194   20.963   72.791   33.612 -17.59751 39.61341 
1 1 1  -14   28   20 o   94.564   22.976  128.481   53.722  107.533   57.193  285.497  156.583   85.838   25.097  125.003   42.234 -39.16505 49.12799 
1 1 1  -14   28   21 o   76.478   23.546   83.275   49.382   91.123   52.112   14.191  154.616   79.611   24.126   79.974   36.171 -0.3626328 43.47853 
1 1 1  -14   28   22 o   60.435   20.101   48.446   35.477   66.914   46.826   23.561   54.356   69.701   23.089   57.024   23.538 12.67682 32.97246 
1 1 1  -14   28   23 o   49.830   18.340   28.231   30.021   27.625   36.816   29.434   51.866   52.004   20.049   57.794   23.313 -5.790524 30.74832 
1 1 1  -14   28   24 o  126.449   13.421  209.654   41.731  207.228   53.007  213.610   67.679  123.627   17.673  122.399   22.987 1.228043 28.99518 
1 1 1  -14   28   25 o   38.236   16.438   0.9411   28.296   20.460   34.582 -38.5998   49.220   48.383   19.198   41.158   19.248 7.224541 27.18542 
1 1 1  -14   28   26 o  198.469   13.766  515.416   67.803  442.500   97.941  582.522   93.957  177.140   22.660  207.492   18.322 -30.35231 29.14059 
1 1 1  -14   28   27 o  126.209   14.321  210.704   44.334  215.807   54.126  200.301   77.285  125.965   17.695  115.123   27.298 10.84173 32.53114 
1 1 1  -14   28   28 o   60.402   18.781   49.894   31.330   61.219   38.442   27.494   54.064   66.303   20.834   57.629   23.595 8.673492 31.47708 
1 1 1  -14   28   29 o   82.647   17.052   94.112   34.025   87.480   42.132  106.548   57.693   78.150   21.097   84.643   25.325 -6.492645 32.96121 
1 1 1  -14   28   30 o   55.479   18.549   40.575   30.202   5.2744   36.144  122.265   54.983   43.870   18.711   91.023   23.888 -47.15303 30.34393 
1 1 1  -14   28   31 o   69.037   18.366   66.882   32.216   25.628   39.228  152.358   56.466   51.785   20.479  102.407   22.678 -50.62119 30.55644 
1 1 1  -14   28   32 o   60.322   18.982   50.087   31.898   82.637   38.959 -16.1175   55.562   76.016   20.184   47.851   21.659 28.16527 29.60617 
1 1 1  -14   28   33 o  107.127   14.807  154.065   38.552  113.855   47.574  230.982   65.799   88.455   21.701  127.179   21.484 -38.72411 30.53649 
1 1 1  -14   28   34 o   64.080   18.464   57.814   31.160   61.139   37.216   50.015   56.991   65.679   20.477   64.153   24.885 1.525581 32.22655 
1 1 1  -14   28   35 f  109.790   15.290  163.206   40.783  182.851   50.732  127.320   68.568  114.457   18.371   89.621   27.771 24.83586 33.29718 
1 1 1  -14   28   36 o   66.124   18.479   62.327   31.695   44.567   37.325  108.242   60.014   57.947   20.565   83.384   26.004 -25.43707 33.15310 
1 1 1  -14   28   37 o   60.353   18.505   51.520   30.537   46.815   35.554   64.752   59.622   58.451   20.119   68.125   25.694 -9.673706 32.63325 
1 1 1  -14   29    1 o   50.074   25.017 -179.8087  128.900   0.0000   0.0000 -179.8087  128.900  ?   ?    50.074   25.017 0.000000 25.01662 
1 1 1  -14   29    2 o   83.065   29.188  129.992   75.019  129.992   75.019   0.0000   0.0000   83.065   29.188  ?   ?  0.000000 29.18789 
1 1 1  -14   29    3 o   53.536   22.953   23.553   54.906   38.253   60.402 -46.3731  131.738   58.338   24.501   60.677   29.239 -2.338478 38.14726 
1 1 1  -14   29    4 o   75.080   26.030   93.742   59.570   91.070   66.348  104.853  135.280   73.826   27.250   77.766   34.604 -3.940338 44.04552 
1 1 1  -14   29    5 o   70.797   25.550   79.341   57.853   82.759   64.280   64.771  132.731   71.908   26.766   73.529   33.360 -1.620796 42.77029 
1 1 1  -14   29    6 o   56.061   23.239   31.286   53.303   34.591   58.471   15.030  129.686   58.183   24.247   68.272   31.698 -10.08914 39.90861 
1 1 1  -14   29    7 o   60.771   19.140   53.244   32.423   54.423   42.982   51.688   49.389   61.892   22.057   61.703   23.358 0.1886215 32.12637 
1 1 1  -14   29    8 o   67.273   18.670   65.636   32.470   34.329   42.239  110.859   50.767   54.586   21.354   84.799   23.270 -30.21272 31.58277 
1 1 1  -14   29    9 o   97.906   15.521  131.755   36.682  125.102   47.428  141.660   57.867   91.972   21.099   95.771   24.190 -3.798653 32.09820 
1 1 1  -14   29   10 o  103.167   14.788  144.482   37.008  155.904   47.576  126.981   58.892  104.756   18.881   90.232   25.180 14.52336 31.47248 
1 1 1  -14   29   11 o   81.375   17.671   93.470   34.880   77.325   44.413  119.457   56.345   72.353   22.339   88.154   24.639 -15.80063 33.25834 
1 1 1  -14   29   12 o   85.858   20.051  106.425   42.211  146.142   59.222   65.415   60.179   98.184   24.288   69.009   25.856 29.17558 35.47467 
1 1 1  -14   29   13 o   74.429   21.450   80.842   42.051   54.275   59.969  106.540   58.980   65.836   25.530   83.385   25.742 -17.54966 36.25507 
1 1 1  -14   29   14 o   37.250   16.333  -2.8954   29.104 -16.3811   36.399   21.010   48.462   38.112   17.360   53.353   22.141 -15.24109 28.13507 
1 1 1  -14   29   15 o   39.047   16.776   2.0811   29.439 -17.7281   36.731   37.659   49.225   38.042   17.371   58.659   23.022 -20.61704 28.84036 
1 1 1  -14   29   16 o   74.937   18.445   79.203   34.283   84.126   42.740   70.321   57.411   76.195   21.517   70.984   25.471 5.211311 33.34329 
1 1 1  -14   29   17 o   71.039   18.380   71.049   32.855   85.351   40.830   44.776   55.337   77.038   20.756   62.569   24.451 14.46904 32.07312 
1 1 1  -14   29   18 o   42.414   17.432   11.227   29.652   38.223   37.092 -36.5732   49.357   55.836   20.411   41.301   19.302 14.53582 28.09204 
1 1 1  -14   29   19 o   39.121   16.798   1.9434   29.482  -7.5342   36.246   20.473   50.681   40.312   17.926   54.311   22.599 -13.99966 28.84530 
1 1 1  -14   29   20 o   99.517   15.532  133.748   37.339  160.921   46.921   86.825   61.658  108.033   18.028   77.151   26.498 30.88245 32.04864 
1 1 1  -14   29   21 o   87.470   20.429  109.187   43.815  103.897   45.406  180.721  166.978   84.842   21.426  100.799   41.391 -15.95640 46.60783 
1 1 1  -14   29   22 o   65.727   21.223   60.251   39.673   59.646   40.850   70.306  166.436   65.550   21.559   85.725   38.247 -20.17532 43.90444 
1 1 1  -14   29   23 o   57.236   21.916   37.103   43.793   33.096   45.305   94.139  170.926   56.308   22.090   88.941   39.269 -32.63306 45.05568 
1 1 1  -14   29   24 o   76.359   23.168   84.970   48.037   68.475   49.937  289.342  175.778   69.818   23.849  118.321   44.218 -48.50258 50.23956 
1 1 1  -14   29   25 o   41.263   18.681 -15.2250   41.361 -24.0238   42.454  149.184  183.513   40.004   18.418   96.280   41.627 -56.27620 45.51915 
1 1 1  -14   29   26 o  132.428   22.032  250.813   70.298  250.813   70.298   0.0000   0.0000  132.428   22.032  ?   ?  0.000000 22.03151 
1 1 1  -14   29   27 o  128.483   14.976  220.707   47.149  185.415   63.634  263.663   70.205  112.498   23.413  136.294   21.326 -23.79597 31.67010 
1 1 1  -14   29   28 o   79.548   17.696   88.426   34.244   80.474   42.449  103.242   57.947   74.573   21.569   82.780   25.509 -8.207855 33.40586 
1 1 1  -14   29   29 f   36.361   15.848  -1.6862   27.041   14.079   32.119 -40.0600   50.110   44.588   18.213   40.999   19.252 3.588409 26.50224 
1 1 1  -14   29   30 o   42.609   17.266   13.491   28.586   10.246   33.875   21.514   53.276   44.078   18.419   55.190   23.084 -11.11253 29.53255 
1 1 1  -14   29   31 o  100.686   15.865  138.119   38.569  135.340   48.032  143.164   64.715   97.119   20.451   96.251   26.215 0.8675766 33.24892 
1 1 1  -14   29   32 o   70.845   18.720   71.517   33.617   48.913   40.729  119.828   59.543   60.525   21.482   88.226   25.554 -27.70140 33.38346 
1 1 1  -14   29   33 o   77.898   18.025   85.976   34.368   70.351   41.503  120.068   61.304   69.552   21.614   87.767   26.071 -18.21487 33.86544 
1 1 1  -14   29   34 o   88.676   17.183  110.029   36.676  117.462   44.956   95.235   63.421   89.799   20.499   78.439   26.877 11.35938 33.80198 
1 1 1  -14   29   35 o  101.551   16.132  142.249   39.541  147.235   48.714  132.619   67.700  100.897   20.041   90.470   27.517 10.42687 34.04106 
1 1 1  -14   29   36 o   52.281   18.360   35.956   29.683   32.504   34.382   46.060   58.819   51.889   19.524   62.138   24.911 -10.24898 31.65003 
1 1 1  -14   30    3 o   61.379   25.012   56.599   60.392   28.741   66.270  193.067  146.677   55.863   24.567   83.230   36.576 -27.36699 44.06074 
1 1 1  -14   30    4 o   65.486   25.559   69.106   60.409   81.793   66.920   13.255  140.405   69.138   26.924   65.127   31.062 4.011673 41.10656 
1 1 1  -14   30    5 o   62.728   25.218   57.174   60.464   98.613   66.544 -138.9844  144.781   74.773   27.338   55.888   27.684 18.88472 38.90692 
1 1 1  -14   30    6 o   62.139   24.664   54.709   57.097   91.711   62.428 -134.5839  141.199   73.560   26.542   56.109   27.710 17.45103 38.37072 
1 1 1  -14   30    7 o   29.188   14.617 -111.0422   45.247 -119.2615   48.105 -47.9658  133.262   29.896   14.987   61.377   29.533 -31.48114 33.11828 
1 1 1  -14   30    8 o   96.110   26.297  154.293   64.945  169.279   72.040   89.258  150.072   99.088   27.919   77.251   35.212 21.83732 44.93691 
1 1 1  -14   30    9 o   55.020   18.993   42.081   31.696   41.653   41.582   42.675   48.970   56.456   21.418   58.237   22.928 -1.780888 31.37556 
1 1 1  -14   30   10 o   60.885   18.990   53.725   32.004   47.596   41.701   62.510   49.923   58.909   21.625   65.291   23.708 -6.382641 32.08921 
1 1 1  -14   30   11 o   98.590   15.732  134.792   37.430  117.660   48.076  161.161   59.644   88.001   21.951  101.853   23.867 -13.85185 32.42612 
1 1 1  -14   30   12 o   57.903   19.434   46.941   33.154   55.268   42.138   33.411   53.714   62.359   21.877   57.276   23.492 5.082760 32.10165 
1 1 1  -14   30   13 o   72.009   18.694   75.114   33.911   86.713   43.144   56.364   54.852   76.007   21.673   64.499   24.568 11.50858 32.76094 
1 1 1  -14   30   14 o   44.538   18.065   16.231   31.327   8.0739   39.141   30.768   52.253   45.402   19.421   56.498   23.172 -11.09529 30.23390 
1 1 1  -14   30   15 o   48.334   19.916   17.961   38.825   48.542   55.700 -10.9371   54.146   62.595   24.512   47.505   21.453 15.09018 32.57375 
1 1 1  -14   30   16 o   54.412   20.727   35.010   39.043   36.091   57.446   34.083   53.226   59.604   24.353   57.949   23.532 1.655003 33.86517 
1 1 1  -14   30   17 o   53.196   18.900   36.438   31.535   33.623   39.363   41.483   52.691   54.053   20.759   60.091   23.743 -6.037205 31.53863 
1 1 1  -14   30   18 o   65.614   19.026   61.472   32.993   57.622   40.759   68.787   56.187   63.939   21.548   69.492   25.164 -5.552956 33.12912 
1 1 1  -14   30   19 o   46.200   18.204   20.415   30.890   18.049   38.424   24.740   51.941   48.435   19.868   55.238   22.922 -6.803253 30.33428 
1 1 1  -14   30   20 o   92.497   16.843  118.585   37.472  144.094   47.158   74.893   61.718  100.631   19.470   72.136   26.335 28.49403 32.75063 
1 1 1  -14   30   21 o  100.682   15.709  138.276   38.207   99.685   47.619  208.007   64.011   81.863   22.567  119.352   22.297 -37.48834 31.72424 
1 1 1  -14   30   22 o   92.497   16.781  118.395   37.334  121.481   46.579  112.850   62.435   91.467   20.856   85.187   26.516 6.279663 33.73539 
1 1 1  -14   30   23 o  108.189   15.546  158.950   40.793  140.999   50.790  191.580   68.475   98.483   21.274  112.385   25.040 -13.90257 32.85670 
1 1 1  -14   30   24 o   64.979   22.971   58.290   46.527   72.312   79.527   50.993   57.370   73.501   29.129   64.276   24.958 9.224693 38.35893 
1 1 1  -14   30   25 o   60.217   21.241   48.601   39.761   38.689   40.558  293.312  201.516   56.473   21.213  111.860   45.648 -55.38772 50.33632 
1 1 1  -14   30   26 o   87.099   21.241  110.908   45.785  112.225   46.987   86.136  203.726   87.407   21.642   87.752   40.380 -0.3448105 45.81399 
1 1 1  -14   30   27 o  113.512   18.770  180.856   51.345  176.055   52.772  266.062  222.324  111.366   19.696  106.377   45.905 4.988762 49.95214 
1 1 1  -14   30   28 o   59.475   21.825   45.745   42.468   47.358   43.461   11.666  199.806   60.273   22.085   80.711   38.068 -20.43740 44.01052 
1 1 1  -14   30   29 o   68.384   22.348   67.768   43.922   72.295   44.925 -30.2243  209.026   70.286   22.572   78.315   37.501 -8.029442 43.76999 
1 1 1  -14   30   30 o   74.139   22.280   81.561   44.579   72.388   45.518  297.012  220.604   70.208   22.739  108.424   46.235 -38.21635 51.52422 
1 1 1  -14   30   31 o   34.195   15.833 -21.0702   32.026 -23.0292   32.373   68.755  219.219   33.985   15.799   85.411   40.159 -51.42593 43.15467 
1 1 1  -14   30   32 o   45.710   18.234   19.213   31.350   5.1555   36.535   58.465   61.049   43.391   18.667   66.357   25.751 -22.96619 31.80535 
1 1 1  -14   30   33 o  101.009   17.430  143.321   42.377  129.248   53.240  167.652   70.006   92.024   23.180  101.875   27.060 -9.851418 35.63089 
1 1 1  -14   30   34 o   34.950   15.684  -8.1101   28.428 -21.1723   32.876   30.595   56.593   34.542   16.010   57.318   23.868 -22.77581 28.74001 
1 1 1  -14   30   35 o   38.311   16.503   2.8934   28.633   13.718   32.601 -33.6296   59.883   43.952   18.193   45.411   21.235 -1.459610 27.96274 
1 1 1  -14   31    5 o   44.920   20.875 -14.5753   56.443   4.8690   61.014 -129.9520  148.626   49.616   22.552   54.719   27.262 -5.102463 35.38078 
1 1 1  -14   31    6 o   61.897   25.139   58.669   60.752   46.632   66.190  123.026  153.050   59.563   25.361   74.603   34.567 -15.04030 42.87198 
1 1 1  -14   31    7 o   57.774   24.089   42.081   57.758   48.352   62.570   5.9589  150.177   60.045   25.058   65.267   31.392 -5.222294 40.16624 
1 1 1  -14   31    8 f   40.949   19.326 -33.3534   51.637 -21.5287   54.988 -121.5942  150.214   44.163   20.550   57.539   28.447 -13.37600 35.09301 
1 1 1  -14   31    9 o   47.240   21.301  -2.0880   53.151  -7.2275   56.963   32.502  147.776   47.593   21.693   69.074   32.628 -21.48133 39.18161 
1 1 1  -14   31   10 o   38.751   18.396 -39.6582   48.105  -9.8978   51.359 -252.4772  137.342   45.262   20.619   49.396   24.838 -4.133392 32.28090 
1 1 1  -14   31   11 o   61.931   19.140   56.845   32.596   64.461   42.559   46.039   50.698   65.031   22.018   59.115   23.312 5.916412 32.06611 
1 1 1  -14   31   12 o   58.275   19.462   49.031   33.247   40.874   43.461   60.538   51.621   56.338   21.765   64.176   23.966 -7.838051 32.37461 
1 1 1  -14   31   13 o   42.147   17.780   9.7947   32.039   31.338   41.166 -23.3028   51.025   52.708   20.936   43.116   19.971 9.591869 28.93355 
1 1 1  -14   31   14 o   97.107   16.667  132.956   38.962  134.594   49.413  130.264   63.348   94.303   21.465   88.609   26.543 5.693909 34.13607 
1 1 1  -14   31   15 o   53.969   19.247   39.014   32.733   14.244   41.331   80.688   53.610   47.667   20.157   72.023   24.710 -24.35631 31.88801 
1 1 1  -14   31   16 o   82.224   18.128   97.473   36.221   88.908   45.431  112.417   60.007   76.198   22.393   83.294   26.007 -7.095879 34.31935 
1 1 1  -14   31   17 o   51.786   19.488   32.729   34.260   47.346   42.357   5.0690   58.265   59.223   21.787   51.816   22.900 7.407684 31.60782 
1 1 1  -14   31   18 o   53.226   21.066   30.911   41.540 -10.5483   59.652   69.944   57.881   49.363   22.384   68.975   25.453 -19.61242 33.89518 
1 1 1  -14   31   19 o   79.471   22.143   95.597   45.579   88.294   69.014  101.247   60.700   75.324   27.794   79.750   26.282 -4.426285 38.25233 
1 1 1  -14   31   20 o   83.886   17.869  100.291   36.285  121.382   45.060   61.388   61.196   90.959   20.347   66.930   25.836 24.02936 32.88576 
1 1 1  -14   31   21 o   42.613   17.761   10.842   31.380  -5.4905   38.503   43.157   54.157   41.449   18.451   60.448   24.012 -18.99814 30.28275 
1 1 1  -14   31   22 o   37.596   16.592  -3.5474   30.483   22.958   37.309 -56.7749   52.871   49.325   19.816   39.342   18.844 9.982750 27.34601 
1 1 1  -14   31   23 f   78.952   23.182   94.938   48.708  110.368   79.314   85.596   61.717   82.140   29.874   74.722   26.452 7.418144 39.90174 
1 1 1  -14   31   24 o   54.771   19.497   39.446   33.572   30.113   40.478   60.014   60.092   52.881   20.838   66.587   25.630 -13.70557 33.03178 
1 1 1  -14   31   25 o   63.496   19.747   57.944   34.636   56.655   41.905   60.722   61.532   63.238   21.838   66.991   25.893 -3.752304 33.87220 
1 1 1  -14   31   26 o   85.514   17.852  103.888   36.890  102.122   45.590  107.238   62.784   82.559   21.793   82.022   26.715 0.5371399 34.47677 
1 1 1  -14   31   27 o   44.944   18.226   16.742   31.883   8.4354   38.383   35.233   57.265   45.136   19.267   58.974   24.230 -13.83712 30.95722 
1 1 1  -14   31   28 o  160.020   13.218  340.730   52.347  362.807   65.993  303.269   85.965  162.446   16.497  140.027   25.525 22.41861 30.39185 
1 1 1  -14   31   29 o   65.379   19.461   62.098   34.132   33.392   40.495  132.521   63.427   53.861   20.953   90.641   26.409 -36.77921 33.71141 
1 1 1  -14   31   30 o   43.879   17.949   14.930   31.247  -1.4756   36.297   61.896   61.413   41.235   18.156   66.828   25.857 -25.59306 31.59524 
1 1 1  -14   31   31 o   70.750   21.719   75.326   42.051   72.051   42.688  182.658  244.379   69.273   21.977   91.119   42.701 -21.84652 48.02461 
1 1 1  -14   31   32 o   94.975   20.111  133.009   46.211  125.698   47.019  340.395  250.414   91.628   20.999  102.826   46.312 -11.19749 50.85062 
1 1 1  -14   31   33 o   69.371   21.762   73.013   41.959   81.554   42.544 -231.5923  254.068   73.082   21.721   68.804   34.484 4.278046 40.75435 
1 1 1  -14   32    7 o   50.516   22.677   15.161   59.473   22.843   63.858 -35.0838  163.313   52.921   23.645   60.254   29.765 -7.333031 38.01391 
1 1 1  -14   32    8 o   61.344   25.055   59.853   60.775   86.559   65.895 -92.2554  157.264   68.537   26.710   57.501   28.547 11.03609 39.09394 
1 1 1  -14   32    9 o   58.570   24.494   47.064   59.970   64.746   64.581 -63.6589  161.605   63.418   25.856   60.376   29.785 3.042542 39.44223 
1 1 1  -14   32   10 o   47.098   21.375  -1.4136   54.553 -30.3434   58.220  206.755  156.175   43.558   20.546   84.515   37.414 -40.95767 42.68444 
1 1 1  -14   32   11 o   69.366   26.005   82.141   60.889   89.745   65.858   37.381  159.787   71.415   26.987   68.700   32.868 2.715004 42.52774 
1 1 1  -14   32   12 o   53.167   22.950   23.283   55.606   25.710   59.062   4.3473  164.976   54.564   23.603   67.439   32.554 -12.87521 40.21003 
1 1 1  -14   32   13 f   49.246   21.840   7.3857   53.450  -2.1152   56.579   86.235  162.991   48.363   21.877   74.766   34.985 -26.40240 41.26148 
1 1 1  -14   32   14 o   54.868   19.747   42.195   34.529   25.537   44.017   68.847   55.677   51.046   21.135   66.371   24.870 -15.32495 32.63729 
1 1 1  -14   32   15 o   76.551   19.390   88.237   37.108  114.625   46.812   43.613   60.875   85.669   21.821   60.014   24.852 25.65480 33.07282 
1 1 1  -14   32   16 o   73.726   19.718   82.031   37.008   77.464   46.867   89.595   60.315   70.150   23.093   73.694   26.143 -3.543526 34.88180 
1 1 1  -14   32   17 o   49.961   18.968   30.635   32.630   8.7950   40.437   71.400   55.244   45.402   19.585   67.941   24.898 -22.53934 31.67789 
1 1 1  -14   32   18 o   48.443   18.861   26.524   32.834   33.313   40.757   13.970   55.421   53.176   20.923   52.115   22.703 1.061016 30.87390 
1 1 1  -14   32   19 f   66.231   19.687   65.277   34.950   89.242   43.663   22.540   58.309   76.066   21.839   55.027   23.625 21.03875 32.17292 
1 1 1  -14   32   20 o   53.553   19.862   37.276   35.335   60.854   44.369  -3.6038   58.423   64.135   22.452   49.665   22.369 14.46955 31.69344 
1 1 1  -14   32   21 o   46.654   20.344   6.1103   44.606   97.275   68.878 -59.7431   58.540   76.769   27.851   41.020   19.696 35.74839 34.11206 
1 1 1  -14   32   22 o   40.716   18.617 -15.6289   42.362 -11.5401   66.079 -18.4819   55.196   50.960   23.281   45.831   21.063 5.129230 31.39550 
1 1 1  -14   32   23 o   50.569   20.125   27.194   38.107   72.213   50.360 -33.1145   58.288   68.807   23.929   44.683   20.912 24.12414 31.77933 
1 1 1  -14   32   24 o   49.709   19.126   28.691   33.453   14.465   40.805   57.849   58.421   47.471   20.048   64.647   25.162 -17.17665 32.17228 
1 1 1  -14   32   25 o   86.236   18.404  107.838   38.425  104.363   47.245  114.630   66.045   82.217   22.401   82.755   27.422 -0.5374374 35.40863 
1 1 1  -14   32   26 o  108.222   15.836  162.741   41.531  155.743   51.277  176.085   70.809  102.251   20.790  102.966   27.151 -0.7148285 34.19645 
1 1 1  -14   32   27 o   55.060   19.814   40.967   34.765   58.778   41.764   0.7839   62.732   63.277   21.804   52.019   23.325 11.25837 31.92877 
1 1 1  -14   32   28 o   53.364   19.503   37.507   33.864   36.603   40.605   39.573   61.371   54.479   21.041   59.987   24.906 -5.508308 32.60423 
1 1 1  -14   32   29 o   49.007   18.852   28.021   32.496   37.512   38.647   5.1173   60.039   54.301   20.636   51.827   23.058 2.474091 30.94407 
1 1 1  -14   32   30 f   93.313   17.805  125.511   39.975  101.593   48.478  176.331   70.664   80.276   23.001  102.305   27.193 -22.02896 35.61647 
1 1 1  -14   32   31 f   45.689   18.308   20.540   31.753  -1.0859   36.747   84.274   63.084   41.114   18.177   72.152   26.581 -31.03817 32.20224 
1 1 1  -14   33   10 o   41.671   19.856 -33.3843   57.097 -44.0804   60.660   49.713  169.077   41.499   19.958   64.839   31.674 -23.33990 37.43705 
1 1 1  -14   33   11 o   41.113   19.574 -34.5825   55.239 -29.7893   58.906 -69.5255  159.048   43.064   20.418   58.193   28.860 -15.12939 35.35240 
1 1 1  -14   33   12 o   62.001   25.253   62.182   61.526   77.581   65.420 -55.7475  181.046   66.125   26.352   61.684   30.625 4.440407 40.40185 
1 1 1  -14   33   13 o   48.351   21.792   5.4273   55.548 -19.6036   58.529  232.534  176.298   44.945   21.010   83.317   38.049 -38.37269 43.46451 
1 1 1  -14   33   14 o   41.941   19.714 -26.8707   52.755 -33.9210   55.181   48.034  179.864   41.810   19.806   69.162   33.531 -27.35219 38.94339 
1 1 1  -14   33   15 o   68.050   25.797   78.950   60.297   75.694   63.541  108.418  191.146   67.060   26.202   74.470   35.712 -7.409958 44.29375 
1 1 1  -14   33   16 o   46.601   19.684   17.392   39.343   33.337   57.070   2.9505   54.311   55.567   23.601   48.137   21.635 7.430031 32.01725 
1 1 1  -14   33   17 o   42.929   18.301   10.865   34.546   18.370   43.458  -2.0180   56.941   48.375   20.572   48.194   21.860 0.1814651 30.01754 
1 1 1  -14   33   18 o   55.011   19.944   43.009   35.309   2.3059   44.438  112.707   58.151   44.771   19.882   80.765   25.654 -35.99377 32.45632 
1 1 1  -14   33   19 o   53.945   19.584   40.644   34.062   26.301   42.422   66.669   57.145   50.603   20.831   65.359   25.033 -14.75560 32.56641 
1 1 1  -14   33   20 o   33.919   15.736 -18.8398   31.868 -19.4151   39.119 -17.7048   54.948   37.793   17.498   45.031   20.811 -7.238346 27.18958 
1 1 1  -14   33   21 o   46.507   18.852   21.366   34.092   21.115   42.231   21.836   57.767   49.147   20.554   53.833   23.315 -4.686047 31.08155 
1 1 1  -14   33   22 o   41.073   18.294  -2.4092   37.909  -7.8122   50.831   4.3620   56.904   45.388   20.613   49.940   22.316 -4.552162 30.37926 
1 1 1  -14   33   23 o   36.659   16.736 -12.6580   34.072 -10.8857   40.101 -17.2587   64.612   40.166   18.267   48.663   22.516 -8.497238 28.99408 
1 1 1  -14   33   24 o   55.252   22.313   36.334   47.570   65.121   73.777   15.849   62.235   66.730   27.470   53.882   23.747 12.84771 36.31164 
1 1 1  -14   33   25 o   38.510   18.141 -32.2619   45.117 -37.0973   72.603 -29.2202   57.585   48.430   22.875   44.331   20.760 4.098969 30.89051 
1 1 1  -14   33   26 o   61.194   23.275   54.200   49.188  130.708   81.339   10.090   61.761   83.362   30.263   52.578   23.390 30.78410 38.24799 
1 1 1  -14   33   27 o   63.036   20.159   60.126   35.861   34.916   42.959  118.066   65.127   53.708   21.370   82.000   27.233 -28.29153 34.61700 
1 1 1  -14   33   28 o   61.344   20.390   56.650   36.505   72.083   43.791   21.498   66.092   67.677   22.324   55.823   24.542 11.85477 33.17615 
1 1 1  -14   33   29 o   48.863   19.135   28.045   33.946   24.026   39.484   39.434   66.464   49.108   20.142   59.539   25.383 -10.43163 32.40386 
1 1 1  -14   34   11 o   62.406   31.086   63.236  192.863   0.0000   0.0000   63.236  192.863  ?   ?    62.406   31.086 0.000000 31.08553 
1 1 1  -14   34   12 o   46.335   21.464  -1.0786   58.956  -9.9778   61.936   84.790  192.392   45.733   21.452   64.668   32.012 -18.93539 38.53511 
1 1 1  -14   34   13 o   61.351   25.448   67.078   63.979   80.723   67.717 -46.3902  195.277   64.626   26.427   59.969   30.080 4.657131 40.04022 
1 1 1  -14   34   14 o   41.783   19.812 -27.7381   55.465 -15.8878   57.956 -156.7939  191.258   44.349   20.787   56.315   28.441 -11.96590 35.22713 
1 1 1  -14   34   15 o   53.965   23.394   33.840   58.274   32.966   61.048   42.798  195.553   54.238   23.722   65.744   32.495 -11.50640 40.23250 
1 1 1  -14   34   16 o   47.790   21.701   4.4258   56.325  -8.8736   58.495  173.724  208.704   46.103   21.364   73.936   35.908 -27.83321 41.78279 
1 1 1  -14   34   17 o   49.769   22.167   14.330   55.652   11.003   57.827   56.088  204.846   49.665   22.323   68.285   33.657 -18.61931 40.38707 
1 1 1  -14   34   18 o   47.786   21.534   5.4908   54.217  -5.6062   56.000  171.478  216.582   46.266   21.246   75.433   36.622 -29.16686 42.33875 
1 1 1  -14   34   19 o   76.053   20.715   93.175   40.407  108.457   50.514   66.021   67.335   79.321   23.689   63.698   26.235 15.62315 35.34754 
1 1 1  -14   34   20 o   52.025   19.830   37.360   35.750   26.618   44.430   57.084   60.207   50.310   21.065   61.210   24.962 -10.90014 32.66240 
1 1 1  -14   34   21 o   57.463   21.529   49.514   41.723   18.549   57.316   84.418   60.852   51.719   22.792   69.204   25.986 -17.48490 34.56540 
1 1 1  -14   34   22 o   48.023   20.391   19.760   42.581   19.760   42.581   0.0000   0.0000   48.023   20.391  ?   ?  0.000000 20.39148 
1 1 1  -14   34   23 o   87.869   18.826  117.431   40.066  137.183   49.421   79.557   68.435   92.370   21.780   67.875   26.983 24.49466 34.67647 
1 1 1  -14   34   24 o   79.596   19.581   98.291   38.653   92.495   47.556  109.574   66.349   74.276   23.146   76.771   27.400 -2.495079 35.86769 
1 1 1  -14   34   25 o   45.778   18.761   20.849   34.224   5.1323   41.215   55.756   61.423   43.766   19.305   61.444   25.153 -17.67752 31.70713 
1 1 1  -13  -38    1 o   52.572   19.372   54.713   33.507   24.577  373.820   54.957   33.642   50.106   26.005   52.640   19.409 -2.533562 32.44939 
1 1 1  -13  -36    1 o   46.142   17.613   30.822   28.228   46.713  123.476   29.946   28.996   58.245   28.127   45.877   17.763 12.36784 33.26643 
1 1 1  -13  -36    2 o   60.295   19.813   64.035   34.506   0.0000   0.0000   64.035   34.506  ?   ?    60.295   19.813 0.000000 19.81331 
1 1 1  -13  -36    3 o   85.587   21.461  134.810   45.783   0.0000   0.0000  134.810   45.783  ?   ?    85.587   21.461 0.000000 21.46050 
1 1 1  -13  -36    4 o   28.483   13.255 -10.5273   22.886   0.0000   0.0000 -10.5273   22.886  ?   ?    28.483   13.255 0.000000 13.25507 
1 1 1  -13  -36    5 o   42.673   17.415   27.522   29.333   0.0000   0.0000   27.522   29.333  ?   ?    42.673   17.415 0.000000 17.41516 
1 1 1  -13  -35    1 o   52.215   18.395   41.469   29.810   9.3589  116.462   43.720   30.837   57.946   27.811   53.294   18.714 4.651402 33.52161 
1 1 1  -13  -35    2 o   37.766   15.877   11.073   25.401 -26.0245  119.431   12.831   25.996   54.296   26.544   38.681   16.148 15.61424 31.06944 
1 1 1  -13  -35    3 o   37.063   15.738   9.9579   25.362   24.930  125.418   9.3195   25.897   57.397   27.867   37.078   15.827 20.31895 32.04745 
1 1 1  -13  -35    4 o   62.882   20.136   69.562   35.769   0.0000   0.0000   69.562   35.769  ?   ?    62.882   20.136 0.000000 20.13553 
1 1 1  -13  -35    5 o   79.260   21.372  115.410   43.266   0.0000   0.0000  115.410   43.266  ?   ?    79.260   21.372 0.000000 21.37155 
1 1 1  -13  -35    6 o   81.058   21.822  125.888   45.150   0.0000   0.0000  125.888   45.150  ?   ?    81.058   21.822 0.000000 21.82183 
1 1 1  -13  -34    1 o   80.230   34.040  157.584  118.515  157.584  118.515   0.0000   0.0000   80.230   34.040  ?   ?  0.000000 34.04049 
1 1 1  -13  -34    2 o   62.970   19.375   62.797   33.443   43.163  114.665   64.622   34.963   62.910   29.407   63.580   19.851 -0.6701279 35.48058 
1 1 1  -13  -34    3 o   53.180   18.664   43.040   30.671   70.575  119.225   41.089   31.740   64.917   30.224   52.328   18.918 12.58904 35.65701 
1 1 1  -13  -34    4 o   39.230   16.339   13.377   26.529   29.249  120.456   12.567   27.197   59.449   28.467   39.206   16.452 20.24306 32.87905 
1 1 1  -13  -34    5 o  114.980   20.862  220.092   57.695   0.0000   0.0000  220.092   57.695  ?   ?   114.980   20.862 0.000000 20.86207 
1 1 1  -13  -34    6 o   48.162   18.477   34.990   31.163   0.0000   0.0000   34.990   31.163  ?   ?    48.162   18.477 0.000000 18.47667 
1 1 1  -13  -34    7 o   61.947   20.652   70.207   37.439   0.0000   0.0000   70.207   37.439  ?   ?    61.947   20.652 0.000000 20.65172 
1 1 1  -13  -33    1 o   62.289   19.299   58.082   33.115   2.9272  107.932   63.813   34.793   61.644   28.720   64.946   19.720 -3.302254 34.83823 
1 1 1  -13  -33    2 o   55.483   19.112   44.878   32.089 -24.5813  111.519   51.148   33.506   58.283   27.766   58.471   19.538 -0.1888924 33.95071 
1 1 1  -13  -33    3 o   62.274   19.280   59.870   33.058  140.057  112.823   52.339   34.575   78.740   33.300   58.555   19.846 20.18491 38.76477 
1 1 1  -13  -33    4 o  132.457   18.887  266.338   60.704   73.827  125.703  324.887   69.323   67.592   31.321  145.475   19.580 -77.88233 36.93752 
1 1 1  -13  -33    5 o   92.032   18.823  131.520   41.801  188.697  115.518  122.905   44.840   82.910   34.276   86.741   20.939 -3.831612 40.16615 
1 1 1  -13  -33    6 o   38.674   16.354   10.821   27.208   0.0000   0.0000   10.821   27.208  ?   ?    38.674   16.354 0.000000 16.35389 
1 1 1  -13  -33    7 o  157.273   21.773  416.350   83.217   0.0000   0.0000  416.350   83.217  ?   ?   157.273   21.773 0.000000 21.77276 
1 1 1  -13  -33    8 o   62.528   20.492   68.577   36.919   0.0000   0.0000   68.577   36.919  ?   ?    62.528   20.492 0.000000 20.49162 
1 1 1  -13  -32    1 o   39.429   16.281   9.9177   26.018 -67.3802   98.051   15.773   26.986   54.001   25.811   42.256   16.897 11.74579 30.84990 
1 1 1  -13  -32    2 o   48.983   18.119   29.876   29.365 -50.3767  102.570   37.041   30.648   56.142   26.713   52.568   18.637 3.574207 32.57220 
1 1 1  -13  -32    3 o   96.877   18.332  136.915   42.724  158.373  113.876  133.400   46.091   87.044   34.743   94.155   20.207 -7.110924 40.19223 
1 1 1  -13  -32    4 o   51.973   25.027 -60.2819   96.108 -60.2819   96.108   0.0000   0.0000   51.973   25.027  ?   ?  0.000000 25.02668 
1 1 1  -13  -32    5 f   65.613   19.681   66.834   34.809 -10.9623  109.136   75.645   36.728   58.572   27.778   69.507   20.051 -10.93501 34.25851 
1 1 1  -13  -32    6 o  104.788   19.466  168.868   49.062   1.8006  118.446  203.470   53.904   59.984   28.587  115.269   19.417 -55.28544 34.55733 
1 1 1  -13  -32    7 o   74.563   20.738   91.078   40.018   0.0000   0.0000   91.078   40.018  ?   ?    74.563   20.738 0.000000 20.73802 
1 1 1  -13  -32    8 o   63.177   20.421   66.133   36.726   0.0000   0.0000   66.133   36.726  ?   ?    63.177   20.421 0.000000 20.42145 
1 1 1  -13  -32    9 o   55.414   19.933   49.887   35.181   0.0000   0.0000   49.887   35.181  ?   ?    55.414   19.933 0.000000 19.93330 
1 1 1  -13  -32   10 f   82.658   21.916  122.067   45.973   0.0000   0.0000  122.067   45.973  ?   ?    82.658   21.916 0.000000 21.91608 
1 1 1  -13  -31    1 f   96.932   19.812  133.587   46.336   0.0000   0.0000  133.587   46.336  ?   ?    96.932   19.812 0.000000 19.81169 
1 1 1  -13  -31    2 o   33.332   14.766  -5.0663   24.363 -51.3835   96.511  -1.9137   25.179   56.301   26.525   34.911   15.253 21.38979 30.59777 
1 1 1  -13  -31    3 o  113.559   17.659  180.834   48.451  113.188  111.671  196.521   53.776   82.913   33.925  117.515   18.971 -34.60123 38.86905 
1 1 1  -13  -31    4 o   37.607   15.830   6.4547   25.302  125.497   97.228  -2.1929   26.205   83.749   32.498   35.184   15.461 48.56460 35.98874 
1 1 1  -13  -31    5 o   79.506   32.538  114.724  102.756  114.724  102.756   0.0000   0.0000   79.506   32.538  ?   ?  0.000000 32.53803 
1 1 1  -13  -31    6 o   28.171   13.107 -16.1855   22.362 -84.4022   96.808 -12.3406   22.983   50.134   24.373   29.661   13.617 20.47311 27.91877 
1 1 1  -13  -31    7 o   51.670   18.407   37.537   29.931   57.364  104.786   35.775   31.233   66.520   29.960   51.059   18.720 15.46046 35.32707 
1 1 1  -13  -31    8 o   79.473   19.474   98.482   38.345  116.252  116.349   96.317   40.614   73.760   32.491   77.606   20.610 -3.845993 38.47628 
1 1 1  -13  -31    9 o   49.483   18.615   34.003   31.254   0.0000   0.0000   34.003   31.254  ?   ?    49.483   18.615 0.000000 18.61525 
1 1 1  -13  -31   10 o  107.255   20.894  187.013   53.949   0.0000   0.0000  187.013   53.949  ?   ?   107.255   20.894 0.000000 20.89386 
1 1 1  -13  -31   11 o   58.537   20.210   57.144   35.891   0.0000   0.0000   57.144   35.891  ?   ?    58.537   20.210 0.000000 20.20992 
1 1 1  -13  -30    1 o  154.370   17.902  321.575   67.727   52.880  121.121  443.808   81.693   79.163   34.020  181.317   18.292 -102.1544 38.62640 
1 1 1  -13  -30    2 o   70.309   19.583   69.595   35.658 -12.1258  101.675   81.055   38.076   64.338   29.193   75.669   19.889 -11.33051 35.32438 
1 1 1  -13  -30    3 o   43.178   17.163   15.850   27.684 -61.0550  100.904   22.110   28.789   57.385   27.062   46.309   17.760 11.07616 32.36966 
1 1 1  -13  -30    4 o   80.808   20.044   94.355   40.252 -84.5212   98.903  129.864   44.066   53.716   25.741   95.674   19.113 -41.95779 32.06108 
1 1 1  -13  -30    5 o   43.573   17.257   17.557   27.896   95.248   95.810   10.361   29.159   78.994   31.749   41.398   17.176 37.59613 36.09740 
1 1 1  -13  -30    6 o  108.550   36.404  237.545  116.330  237.545  116.330   0.0000   0.0000  108.550   36.404  ?   ?  0.000000 36.40411 
1 1 1  -13  -30    7 o   41.056   16.911   12.392   27.983 -18.2652  102.646   14.853   29.084   59.199   27.721   42.497   17.342 16.70198 32.69825 
1 1 1  -13  -30    8 o   21.779   10.669 -35.3833   19.594 -27.0116  100.465 -35.7144   19.977   56.683   26.814   22.044   10.793 34.63955 28.90505 
1 1 1  -13  -30    9 o   75.485   20.027   88.634   38.373   53.119  111.202   93.435   40.884   66.632   30.348   76.971   20.784 -10.33945 36.78230 
1 1 1  -13  -30   10 o   67.589   20.864   73.502   38.745   0.0000   0.0000   73.502   38.745  ?   ?    67.589   20.864 0.000000 20.86382 
1 1 1  -13  -30   11 o   65.075   20.628   68.972   37.613   0.0000   0.0000   68.972   37.613  ?   ?    65.075   20.628 0.000000 20.62822 
1 1 1  -13  -30   12 o  100.657   21.298  166.907   51.864   0.0000   0.0000  166.907   51.864  ?   ?   100.657   21.298 0.000000 21.29799 
1 1 1  -13  -29    1 o   99.147   34.085  147.076  102.039  147.076  102.039   0.0000   0.0000   99.147   34.085  ?   ?  0.000000 34.08548 
1 1 1  -13  -29    2 o  186.106   18.178  462.911   83.402  128.518  137.824  656.109  104.760   95.976   38.249  221.029   19.170 -125.0532 42.78401 
1 1 1  -13  -29    3 o   34.210   15.242  -7.9824   26.332  134.670   95.165 -19.8095   27.402   93.905   32.881   31.801   14.696 62.10457 36.01586 
1 1 1  -13  -29    4 o  119.848   19.517  198.744   56.402   0.0000   0.0000  198.744   56.402  ?   ?   119.848   19.517 0.000000 19.51740 
1 1 1  -13  -29    5 o   38.849   16.456   4.4437   27.622 -18.0351   92.291   6.6553   28.949   60.450   27.577   40.395   16.964 20.05548 32.37642 
1 1 1  -13  -29    6 o   38.651   16.323   5.3085   27.047 -62.2234   95.775   11.161   28.195   55.235   26.145   41.442   17.012 13.79308 31.19206 
1 1 1  -13  -29    7 o   27.827   13.169 -25.3261   24.281 -43.6801   95.882 -24.0684   25.099   56.625   26.603   28.729   13.533 27.89574 29.84730 
1 1 1  -13  -29    8 o   95.381   19.632  132.795   45.203   17.938  106.135  158.246   49.960   65.709   29.819  104.119   19.941 -38.40915 35.87287 
1 1 1  -13  -29    9 o   36.571   15.796   2.2200   26.370   11.847  104.301   1.5627   27.255   63.232   29.021   36.874   15.992 26.35752 33.13610 
1 1 1  -13  -29   10 o   40.760   16.823   12.613   27.763   19.086  104.759   12.124   28.792   62.889   28.946   41.063   17.055 21.82608 33.59663 
1 1 1  -13  -29   11 o   70.475   20.775   78.453   39.050   0.0000   0.0000   78.453   39.050  ?   ?    70.475   20.775 0.000000 20.77543 
1 1 1  -13  -29   12 o   76.953   21.123   95.756   41.823   0.0000   0.0000   95.756   41.823  ?   ?    76.953   21.123 0.000000 21.12270 
1 1 1  -13  -29   13 f   46.253   18.505   25.358   32.386   0.0000   0.0000   25.358   32.386  ?   ?    46.253   18.505 0.000000 18.50491 
1 1 1  -13  -28    1 o  100.982   18.635  137.215   45.262  114.779   95.938  143.639   51.334   91.911   32.932  102.576   20.753 -10.66487 38.92604 
1 1 1  -13  -28    2 o   80.876   19.914   89.808   39.951   44.702   94.923   99.518   44.042   75.035   31.050   84.900   20.911 -9.864548 37.43509 
1 1 1  -13  -28    3 o   80.363   19.951   89.109   39.852   51.583   96.826   96.762   43.727   76.374   31.458   83.477   20.996 -7.102890 37.82167 
1 1 1  -13  -28    4 o  105.070   18.405  149.811   46.530   75.024   99.905  170.527   52.581   81.179   32.493  111.720   19.560 -30.54102 37.92633 
1 1 1  -13  -28    5 o  176.377   19.746  422.991   85.478   0.0000   0.0000  422.991   85.478  ?   ?   176.377   19.746 0.000000 19.74592 
1 1 1  -13  -28    6 o   66.383   19.455   61.268   34.333   17.930   94.818   67.808   36.832   67.568   29.558   69.556   20.084 -1.987762 35.73532 
1 1 1  -13  -28    7 o   93.124   19.572  122.295   44.068 -42.6197  104.099  158.302   48.642   60.674   28.247  106.624   18.964 -45.94954 34.02208 
1 1 1  -13  -28    8 o   49.918   18.482   29.278   30.570  118.464   99.307   19.942   32.130   86.151   32.999   46.645   18.506 39.50590 37.83404 
1 1 1  -13  -28    9 o   66.365   29.512   24.210   98.240   24.210   98.240   0.0000   0.0000   66.365   29.512  ?   ?  0.000000 29.51205 
1 1 1  -13  -28   10 o   43.167   17.492   15.568   29.341   83.168  104.059   9.7291   30.582   75.614   31.979   41.637   17.458 33.97744 36.43391 
1 1 1  -13  -28   11 o   83.684   20.346  105.753   42.106 -28.1649  110.769  128.372   45.524   59.696   28.214   92.519   20.265 -32.82256 34.73743 
1 1 1  -13  -28   12 o   61.511   20.379   57.113   36.479   0.0000   0.0000   57.113   36.479  ?   ?    61.511   20.379 0.000000 20.37946 
1 1 1  -13  -28   13 o   22.422   11.066 -44.7524   22.396   0.0000   0.0000 -44.7524   22.396  ?   ?    22.422   11.066 0.000000 11.06608 
1 1 1  -13  -28   14 o   89.825   21.315  129.809   47.093   0.0000   0.0000  129.809   47.093  ?   ?    89.825   21.315 0.000000 21.31503 
1 1 1  -13  -28   15 f   27.796   13.164 -22.2338   24.347   0.0000   0.0000 -22.2338   24.347  ?   ?    27.796   13.164 0.000000 13.16420 
1 1 1  -13  -27    1 f  123.899   16.920  201.583   50.982  176.533   99.117  210.595   59.450  110.211   33.244  125.692   19.578 -15.48081 38.58080 
1 1 1  -13  -27    2 o  151.000   30.176  325.980  109.807  325.980  109.807   0.0000   0.0000  151.000   30.176  ?   ?  0.000000 30.17610 
1 1 1  -13  -27    3 f   69.724   20.381   65.646   37.723 -24.3235   88.236   85.768   41.729   61.144   27.520   79.116   20.834 -17.97261 34.51619 
1 1 1  -13  -27    4 o  163.853   17.049  352.889   68.739  152.361  117.266  457.863   84.845  102.374   36.438  186.051   18.507 -83.67633 40.86908 
1 1 1  -13  -27    5 o   41.555   17.412   5.9330   30.389 -13.8050   87.413   8.6465   32.410   61.933   27.669   43.633   18.107 18.30070 33.06667 
1 1 1  -13  -27    6 o   54.350   19.625   34.625   34.141   0.0000   0.0000   34.625   34.141  ?   ?    54.350   19.625 0.000000 19.62534 
1 1 1  -13  -27    7 o   97.025   19.289  129.896   45.088 -23.6422  102.712  166.546   50.182   64.172   29.204  110.373   18.886 -46.20171 34.77816 
1 1 1  -13  -27    8 o  191.320   17.857  493.263   84.326  219.307  139.348  651.555  105.923  111.321   39.711  218.455   19.626 -107.1335 44.29603 
1 1 1  -13  -27    9 o   83.261   19.515   98.212   39.868   59.904  102.302  105.072   43.290   75.571   31.820   85.723   20.500 -10.15287 37.85189 
1 1 1  -13  -27   10 o   83.089   33.331  103.969  105.377  103.969  105.377   0.0000   0.0000   83.089   33.331  ?   ?  0.000000 33.33107 
1 1 1  -13  -27   11 o   59.812   19.766   50.195   34.324   25.949  105.428   53.069   36.302   67.824   30.337   61.284   20.331 6.539509 36.51973 
1 1 1  -13  -27   12 o   61.861   19.966   55.592   35.116   67.369  111.879   54.305   36.985   73.361   32.099   61.320   20.527 12.04054 38.10089 
1 1 1  -13  -27   13 o   64.405   20.202   62.278   36.162   88.832  110.724   59.107   38.260   74.780   32.333   62.875   20.873 11.90508 38.48463 
1 1 1  -13  -27   14 o   66.125   21.003   67.927   38.977   0.0000   0.0000   67.927   38.977  ?   ?    66.125   21.003 0.000000 21.00291 
1 1 1  -13  -27   15 o  131.624   20.664  266.805   65.684   0.0000   0.0000  266.805   65.684  ?   ?   131.624   20.664 0.000000 20.66445 
1 1 1  -13  -27   16 f   59.731   20.639   56.121   37.435   0.0000   0.0000   56.121   37.435  ?   ?    59.731   20.639 0.000000 20.63921 
1 1 1  -13  -26    1 o  129.950   15.845  219.508   50.354  284.635   96.330  195.022   59.066  143.062   27.967  120.877   20.287 22.18494 34.54959 
1 1 1  -13  -26    2 o  130.518   16.365  222.217   52.165  206.751   97.746  228.376   61.684  119.712   32.057  131.246   19.406 -11.53394 37.47327 
1 1 1  -13  -26    3 o   60.690   26.915 -14.2367   81.180 -14.2367   81.180   0.0000   0.0000   60.690   26.915  ?   ?  0.000000 26.91547 
1 1 1  -13  -26    4 o  138.480   17.177  251.639   58.123   78.711  102.856  332.767   70.450   85.020   33.305  159.132   18.048 -74.11140 37.88037 
1 1 1  -13  -26    5 o  176.687   17.036  408.282   74.237  179.120  122.026  542.932   93.537  109.890   37.283  203.086   18.652 -93.19588 41.68823 
1 1 1  -13  -26    6 o  112.382   17.696  168.288   48.019   90.985   96.735  193.565   55.315   85.874   32.646  120.116   19.079 -34.24213 37.81236 
1 1 1  -13  -26    7 o   63.459   20.762   52.760   37.907   0.0000   0.0000   52.760   37.907  ?   ?    63.459   20.762 0.000000 20.76244 
1 1 1  -13  -26    8 o  175.291   17.628  408.330   76.116  153.559  129.776  541.930   93.978  101.079   37.951  201.261   18.921 -100.1816 42.40587 
1 1 1  -13  -26    9 o   58.654   19.809   44.614   34.447   22.966   95.646   47.840   36.924   69.413   30.031   60.569   20.509 8.843765 36.36608 
1 1 1  -13  -26   10 o   50.690   18.754   29.260   31.462   93.140   96.409   21.646   33.284   82.684   32.284   48.252   18.933 34.43290 37.42623 
1 1 1  -13  -26   11 o   78.409   33.368   66.754  114.486   66.754  114.486   0.0000   0.0000   78.409   33.368  ?   ?  0.000000 33.36836 
1 1 1  -13  -26   12 o   89.665   34.495  136.188  108.807  136.188  108.807   0.0000   0.0000   89.665   34.495  ?   ?  0.000000 34.49493 
1 1 1  -13  -26   13 o   61.870   20.103   54.719   35.560 -28.9182  105.981   65.330   37.749   60.478   28.271   66.819   20.589 -6.340954 34.97324 
1 1 1  -13  -26   14 o   67.285   20.194   67.470   36.640  141.908  109.506   58.087   38.881   86.205   34.176   62.895   21.046 23.30986 40.13683 
1 1 1  -13  -26   15 o   79.506   21.394   98.173   43.411   0.0000   0.0000   98.173   43.411  ?   ?    79.506   21.394 0.000000 21.39440 
1 1 1  -13  -26   16 o  132.686   20.824  268.676   66.728   0.0000   0.0000  268.676   66.728  ?   ?   132.686   20.824 0.000000 20.82416 
1 1 1  -13  -26   17 o  101.120   21.386  161.882   52.316   0.0000   0.0000  161.882   52.316  ?   ?   101.120   21.386 0.000000 21.38602 
1 1 1  -13  -25    1 o  112.515   17.970  166.719   48.790 -22.5011   86.460  255.130   59.100   61.744   27.556  139.942   17.279 -78.19785 32.52476 
1 1 1  -13  -25    2 o   62.148   19.902   49.459   34.944  119.547   79.163   32.497   38.944   93.649   29.952   55.935   20.831 37.71368 36.48324 
1 1 1  -13  -25    3 o   71.381   20.306   68.220   37.921   18.143   83.172   81.362   42.607   67.798   28.627   77.597   21.328 -9.798172 35.69878 
1 1 1  -13  -25    4 o  108.953   31.691  169.540   91.409  169.540   91.409   0.0000   0.0000  108.953   31.691  ?   ?  0.000000 31.69147 
1 1 1  -13  -25    5 o  122.201   16.727  195.721   49.704  205.427   95.957  192.161   58.107  119.272   31.681  119.849   20.129 -0.5764389 37.53502 
1 1 1  -13  -25    6 o   73.465   20.475   73.073   38.965 -40.9565   89.054  100.073   43.333   59.262   27.056   85.698   20.520 -26.43594 33.95737 
1 1 1  -13  -25    7 o   71.631   20.118   69.540   37.469   50.592   87.653   73.777   41.447   75.187   30.315   73.702   21.312 1.484642 37.05656 
1 1 1  -13  -25    8 o  208.147   16.753  566.221   86.341  458.480  142.339  628.942  108.603  175.901   33.630  217.265   20.250 -41.36432 39.25655 
1 1 1  -13  -25    9 o  185.727   18.246  457.416   83.532  144.901  143.151  618.770  102.860  101.477   39.418  215.509   19.318 -114.0319 43.89708 
1 1 1  -13  -25   10 o   91.236   21.651  116.759   48.587   0.0000   0.0000  116.759   48.587  ?   ?    91.236   21.651 0.000000 21.65100 
1 1 1  -13  -25   11 o  139.980   34.991  316.073  121.982  316.073  121.982   0.0000   0.0000  139.980   34.991  ?   ?  0.000000 34.99129 
1 1 1  -13  -25   12 o   62.782   21.017   53.205   38.774   44.376   99.045   54.803   42.137   72.844   31.019   63.912   21.907 8.932602 37.97538 
1 1 1  -13  -25   13 o   83.160   20.173   99.176   41.465  119.010  106.534   95.635   45.014   87.266   33.975   80.966   21.785 6.300308 40.35962 
1 1 1  -13  -25   14 o   73.856   20.714   79.842   39.751 -43.5897  106.309   99.904   42.860   59.678   28.030   82.550   20.800 -22.87130 34.90417 
1 1 1  -13  -25   15 o  159.347   17.506  354.594   68.511  280.207  134.673  380.567   79.578  114.641   39.166  162.587   20.023 -47.94662 43.98727 
1 1 1  -13  -25   16 o   62.080   20.513   56.797   36.969   0.0000   0.0000   56.797   36.969  ?   ?    62.080   20.513 0.000000 20.51329 
1 1 1  -13  -25   17 o   46.656   18.666   22.723   32.950   0.0000   0.0000   22.723   32.950  ?   ?    46.656   18.666 0.000000 18.66571 
1 1 1  -13  -25   18 o   73.187   21.615   85.748   42.234   0.0000   0.0000   85.748   42.234  ?   ?    73.187   21.615 0.000000 21.61451 
1 1 1  -13  -24    1 o  146.354   19.289  280.650   68.778   0.0000   0.0000  280.650   68.778  ?   ?   146.354   19.289 0.000000 19.28880 
1 1 1  -13  -24    2 o  100.671   17.963  133.910   43.501   79.241   79.862  156.972   51.871   82.040   29.956  108.615   19.856 -26.57516 35.93873 
1 1 1  -13  -24    3 o  114.496   17.152  171.689   47.530  102.832   83.849  204.292   57.696   89.272   30.886  124.429   19.185 -35.15692 36.35970 
1 1 1  -13  -24    4 o  215.077   16.447  596.407   87.663  434.817  135.647  712.298  114.875  175.755   32.089  233.510   19.890 -57.75555 37.75344 
1 1 1  -13  -24    5 o  169.053   27.424  392.268  111.806  392.268  111.806   0.0000   0.0000  169.053   27.424  ?   ?  0.000000 27.42406 
1 1 1  -13  -24    6 f  171.076   16.230  379.031   68.507  251.539  113.616  451.863   85.874  131.299   34.282  185.848   18.760 -54.54926 39.07937 
1 1 1  -13  -24    7 o   71.676   20.437   69.072   38.364  -5.0719   84.722   88.196   43.028   63.653   27.890   80.523   21.132 -16.87027 34.99152 
1 1 1  -13  -24    8 o  147.377   16.386  283.255   59.286  249.282  109.269  297.428   70.577  130.202   33.434  149.868   19.307 -19.66628 38.60821 
1 1 1  -13  -24    9 o  192.284   20.178  491.170   95.443   0.0000   0.0000  491.170   95.443  ?   ?   192.284   20.178 0.000000 20.17777 
1 1 1  -13  -24   11 o   53.790   19.955   31.774   35.668   99.382   96.020   20.951   38.417   86.936   32.643   50.769   20.206 36.16758 38.39109 
1 1 1  -13  -24   12 o  111.040   19.202  168.324   51.318   22.183  108.313  210.625   58.273   72.862   31.739  124.386   19.393 -51.52397 37.19520 
1 1 1  -13  -24   13 o  138.833   17.576  259.860   59.569  161.518  116.657  294.546   69.282  100.152   36.260  146.807   19.372 -46.65495 41.11005 
1 1 1  -13  -24   14 o   75.180   21.587   81.167   42.657   84.299  104.221   80.536   46.753   80.872   32.895   74.724   22.894 6.147751 40.07808 
1 1 1  -13  -24   15 o  111.954   18.897  175.718   50.950   93.436  115.770  195.483   56.741   82.069   34.153  117.419   20.072 -35.34992 39.61430 
1 1 1  -13  -24   16 o   72.181   20.611   76.645   38.991   36.078  110.014   82.473   41.698   70.111   31.202   74.534   21.325 -4.422707 37.79273 
1 1 1  -13  -24   17 o   40.194   17.236   4.9358   30.965   0.0000   0.0000   4.9358   30.965  ?   ?    40.194   17.236 0.000000 17.23554 
1 1 1  -13  -24   18 o   55.884   20.298   43.138   36.599   0.0000   0.0000   43.138   36.599  ?   ?    55.884   20.298 0.000000 20.29788 
1 1 1  -13  -24   19 o   61.064   20.941   56.367   38.504   0.0000   0.0000   56.367   38.504  ?   ?    61.064   20.941 0.000000 20.94138 
1 1 1  -13  -24   20 o   95.336   21.677  144.583   50.439   0.0000   0.0000  144.583   50.439  ?   ?    95.336   21.677 0.000000 21.67672 
1 1 1  -13  -23    1 o  219.219   15.538  615.068   84.509  543.696  127.853  670.444  112.618  201.660   25.994  227.122   20.063 -25.46143 32.83572 
1 1 1  -13  -23    2 o  208.954   20.194  568.966  104.061   0.0000   0.0000  568.966  104.061  ?   ?   208.954   20.194 0.000000 20.19447 
1 1 1  -13  -23    3 o  245.465   15.706  771.718   95.770  797.943  144.617  751.233  127.814  245.674   23.874  239.521   21.601 6.152664 32.19622 
1 1 1  -13  -23    4 f  174.611   15.326  391.660   66.151  347.948  104.103  421.263   85.670  159.881   27.038  179.669   19.402 -19.78752 33.27960 
1 1 1  -13  -23    5 o  161.933   15.738  338.036   62.836  240.023  101.410  399.116   80.055  130.266   31.517  175.042   18.599 -44.77702 36.59568 
1 1 1  -13  -23    6 o   82.384   29.890   81.581   79.328   81.581   79.328   0.0000   0.0000   82.384   29.890  ?   ?  0.000000 29.88968 
1 1 1  -13  -23    7 o   75.457   20.437   76.667   39.461   70.660   82.895   78.426   44.871   79.973   30.264   76.399   22.199 3.573502 37.53262 
1 1 1  -13  -23    8 o  179.991   16.416  419.496   72.972  313.127  122.761  477.616   90.744  146.874   34.122  190.891   19.301 -44.01720 39.20279 
1 1 1  -13  -23    9 o  153.852   16.407  307.828   62.064  274.769  111.482  322.675   74.712  137.611   32.889  156.284   19.573 -18.67366 38.27278 
1 1 1  -13  -23   10 o  198.302   15.992  509.552   78.517  551.643  132.409  486.725   97.511  199.852   27.241  191.450   20.727 8.401398 34.22977 
1 1 1  -13  -23   11 o   71.734   22.234   69.097   43.950   0.0000   0.0000   69.097   43.950  ?   ?    71.734   22.234 0.000000 22.23397 
1 1 1  -13  -23   12 o  153.379   16.758  309.359   63.143  264.260  117.775  327.552   74.802  131.161   35.216  156.488   19.570 -25.32664 40.28857 
1 1 1  -13  -23   13 o  182.755   16.648  440.014   75.144  382.604  131.418  467.902   91.594  157.750   34.335  186.415   19.988 -28.66495 39.72940 
1 1 1  -13  -23   14 o  203.516   17.108  550.278   86.140  457.967  145.566  600.022  106.857  169.866   35.462  209.756   20.669 -39.88956 41.04570 
1 1 1  -13  -23   15 o   83.555   33.552   91.536  106.901   91.536  106.901   0.0000   0.0000   83.555   33.552  ?   ?  0.000000 33.55239 
1 1 1  -13  -23   16 o   96.343   19.525  131.018   45.366  163.459  112.057  124.659   49.614   97.761   35.516   92.691   21.800 5.070389 41.67286 
1 1 1  -13  -23   17 o  110.806   19.080  173.589   50.889   83.153  117.489  194.473   56.460   79.483   33.814  116.696   20.100 -37.21277 39.33677 
1 1 1  -13  -23   18 f  156.923   20.468  356.076   78.297   0.0000   0.0000  356.076   78.297  ?   ?   156.923   20.468 0.000000 20.46803 
1 1 1  -13  -23   19 o   69.403   21.575   73.382   41.350   0.0000   0.0000   73.382   41.350  ?   ?    69.403   21.575 0.000000 21.57543 
1 1 1  -13  -23   20 o   60.693   20.953   54.716   38.580   0.0000   0.0000   54.716   38.580  ?   ?    60.693   20.953 0.000000 20.95348 
1 1 1  -13  -23   21 o   81.881   21.962  107.296   45.834   0.0000   0.0000  107.296   45.834  ?   ?    81.881   21.962 0.000000 21.96238 
1 1 1  -13  -22    1 o  165.656   14.650  350.935   59.976  369.694   94.916  338.466   77.383  167.146   23.380  161.163   19.634 5.983353 30.53040 
1 1 1  -13  -22    2 o   98.885   17.502  128.535   41.637   91.212   72.976  146.548   50.699   84.840   28.832  105.047   20.059 -20.20648 35.12267 
1 1 1  -13  -22    3 o  222.737   20.705  646.268  113.845   0.0000   0.0000  646.268  113.845  ?   ?   222.737   20.705 0.000000 20.70476 
1 1 1  -13  -22    4 o  183.148   15.143  429.713   68.637  389.343  107.144  457.811   89.387  170.133   26.048  187.618   19.357 -17.48494 32.45292 
1 1 1  -13  -22    5 o   79.928   18.772   85.378   36.829  103.123   71.154   78.885   43.043   88.218   28.415   76.801   21.560 11.41780 35.66887 
1 1 1  -13  -22    6 o  128.314   16.100  213.441   50.452  179.332   87.313  230.539   61.816  113.190   30.293  132.435   19.256 -19.24522 35.89484 
1 1 1  -13  -22    7 o  219.642   16.152  620.235   87.969  511.960  133.952  702.344  116.649  193.593   28.567  231.902   20.349 -38.30888 35.07315 
1 1 1  -13  -22    8 o   53.944   20.452   28.260   37.904  -7.4990   84.086   37.378   42.462   63.432   27.789   59.066   21.800 4.366356 35.31967 
1 1 1  -13  -22    9 o   68.354   28.399   25.472   79.867   25.472   79.867   0.0000   0.0000   68.354   28.399  ?   ?  0.000000 28.39930 
1 1 1  -13  -22   10 o  107.739   19.123  154.653   49.564   32.630   93.877  201.812   58.361   73.899   30.754  123.244   19.621 -49.34464 36.47961 
1 1 1  -13  -22   11 o  181.848   16.660  429.440   74.815  308.660  125.211  496.504   93.301  144.717   35.025  194.310   19.491 -49.59274 40.08296 
1 1 1  -13  -22   12 o  102.951   21.690  144.780   54.003   0.0000   0.0000  144.780   54.003  ?   ?   102.951   21.690 0.000000 21.69022 
1 1 1  -13  -22   13 o   45.969   18.927   10.945   35.035   14.489   94.917   10.386   37.697   69.694   30.035   47.147   19.543 22.54687 35.83335 
1 1 1  -13  -22   14 o  135.813   17.143  244.283   56.844  275.900  113.383  233.668   65.697  134.540   33.793  131.100   20.759 3.439804 39.65978 
1 1 1  -13  -22   15 o   44.243   18.389   9.1832   33.505   70.787   98.019   1.0333   35.652   79.911   32.115   42.846   18.436 37.06541 37.03022 
1 1 1  -13  -22   16 o   56.248   26.470 -66.9539   95.613 -66.9539   95.613   0.0000   0.0000   56.248   26.470  ?   ?  0.000000 26.47035 
1 1 1  -13  -22   17 o   64.673   20.946   57.785   38.624   49.421  106.273   59.058   41.460   74.773   31.993   65.482   21.728 9.291595 38.67355 
1 1 1  -13  -22   18 o   42.417   17.849   8.0319   32.157   37.014  107.404   5.1782   33.703   71.420   31.345   42.306   18.057 29.11384 36.17359 
1 1 1  -13  -22   19 o  111.524   19.769  178.634   53.040   48.925  125.451  206.866   58.528   74.167   33.139  119.779   20.292 -45.61160 38.85847 
1 1 1  -13  -22   20 o  182.679   21.296  491.185   95.324   0.0000   0.0000  491.185   95.324  ?   ?   182.679   21.296 0.000000 21.29581 
1 1 1  -13  -22   21 o   58.002   20.711   47.766   37.912   0.0000   0.0000   47.766   37.912  ?   ?    58.002   20.711 0.000000 20.71083 
1 1 1  -13  -22   22 o   87.764   22.149  122.011   48.544   0.0000   0.0000  122.011   48.544  ?   ?    87.764   22.149 0.000000 22.14900 
1 1 1  -13  -21    1 o   72.167   19.196   69.093   35.196   80.368   64.105   64.227   42.111   80.141   27.023   70.444   21.752 9.697006 34.69053 
1 1 1  -13  -21    2 o  217.268   15.034  601.996   81.065  635.970  123.038  575.934  107.763  220.493   22.669  210.503   20.771 9.990051 30.74572 
1 1 1  -13  -21    3 o  423.202   21.378  2319.80  225.196  2243.97  322.521  2391.94  314.578  407.317   31.965  422.495   30.012 -15.17810 43.84598 
1 1 1  -13  -21    4 o  215.290   20.514  602.822  108.955   0.0000   0.0000  602.822  108.955  ?   ?   215.290   20.514 0.000000 20.51427 
1 1 1  -13  -21    5 o  245.862   16.017  773.613   97.805  700.289  145.679  833.784  131.968  229.422   25.880  253.084   21.073 -23.66235 33.37429 
1 1 1  -13  -21    6 f  221.709   14.995  628.034   82.531  712.189  127.546  567.419  108.247  233.134   22.175  208.369   21.094 24.76482 30.60562 
1 1 1  -13  -21    7 o  110.628   20.699  163.083   55.079   0.0000   0.0000  163.083   55.079  ?   ?   110.628   20.699 0.000000 20.69859 
1 1 1  -13  -21    8 o  308.601   26.875  1273.99  205.039  1273.99  205.039   0.0000   0.0000  308.601   26.875  ?   ?  0.000000 26.87488 
1 1 1  -13  -21    9 o  351.333   28.823  1669.72  250.648  1669.72  250.648   0.0000   0.0000  351.333   28.823  ?   ?  0.000000 28.82279 
1 1 1  -13  -21   10 o  219.456   16.490  620.600   89.709  495.537  139.124  709.607  117.368  188.998   30.517  232.899   20.386 -43.90147 36.69997 
1 1 1  -13  -21   11 o  221.554   16.682  633.780   91.616  494.581  142.611  731.598  119.549  187.794   31.528  236.219   20.469 -48.42583 37.58947 
1 1 1  -13  -21   12 o  191.675   16.697  476.029   79.122  321.544  127.858  571.904  100.725  148.236   35.085  208.874   19.538 -60.63808 40.15865 
1 1 1  -13  -21   13 o  169.528   20.244  380.828   84.006   0.0000   0.0000  380.828   84.006  ?   ?   169.528   20.244 0.000000 20.24385 
1 1 1  -13  -21   14 o   96.226   20.528  126.086   47.825   1.5037   99.984  163.046   54.458   69.274   30.327  109.706   20.636 -40.43190 36.68167 
1 1 1  -13  -21   15 o   98.976   20.117  133.638   48.025  112.716  104.865  139.191   54.024   91.996   34.198  100.278   22.164 -8.281555 40.75192 
1 1 1  -13  -21   16 o  242.365   17.204  773.764  103.445  748.794  167.439  789.178  131.555  226.641   30.347  240.769   22.128 -14.12851 37.55760 
1 1 1  -13  -21   17 o   71.707   30.935   27.924  100.902   27.924  100.902   0.0000   0.0000   71.707   30.935  ?   ?  0.000000 30.93480 
1 1 1  -13  -21   18 o  147.333   18.053  294.621   65.031  156.151  126.625  344.228   75.790   98.017   37.329  158.312   19.589 -60.29458 42.15718 
1 1 1  -13  -21   19 o  149.536   17.356  304.734   63.606  331.997  131.237  296.363   72.717  136.349   37.413  145.024   20.664 -8.675537 42.74016 
1 1 1  -13  -21   20 o  108.195   19.580  166.970   50.955  184.577  125.622  163.502   55.747   98.505   37.261  105.449   21.887 -6.944183 43.21359 
1 1 1  -13  -21   21 o   33.348   15.434 -19.4363   30.390   0.0000   0.0000 -19.4363   30.390  ?   ?    33.348   15.434 0.000000 15.43415 
1 1 1  -13  -21   22 o   50.869   19.853   29.872   36.446   0.0000   0.0000   29.872   36.446  ?   ?    50.869   19.853 0.000000 19.85320 
1 1 1  -13  -21   23 o   95.597   22.288  143.102   52.227   0.0000   0.0000  143.102   52.227  ?   ?    95.597   22.288 0.000000 22.28840 
1 1 1  -13  -20    1 o  224.352   15.166  640.764   84.468  600.423  124.753  674.912  114.779  214.192   23.722  228.576   20.321 -14.38416 31.23558 
1 1 1  -13  -20    2 o  189.035   14.666  455.317   68.689  455.905  104.182  454.865   91.357  186.554   22.841  187.409   19.822 -0.8552856 30.24229 
1 1 1  -13  -20    3 f  168.969   14.662  364.488   61.252  362.819   93.696  365.734   80.943  165.899   23.255  167.811   19.690 -1.912140 30.47137 
1 1 1  -13  -20    4 o   73.952   19.412   72.703   36.303   84.212   64.794   67.437   43.828   81.513   27.168   72.051   22.182 9.462067 35.07320 
1 1 1  -13  -20    5 o  215.699   20.483  604.207  109.005   0.0000   0.0000  604.207  109.005  ?   ?   215.699   20.483 0.000000 20.48268 
1 1 1  -13  -20    6 o  130.994   19.739  225.211   62.566   0.0000   0.0000  225.211   62.566  ?   ?   130.994   19.739 0.000000 19.73924 
1 1 1  -13  -20    7 o  126.188   16.063  206.005   49.469  243.195   82.387  185.036   61.863  134.141   25.528  117.796   21.834 16.34419 33.59175 
1 1 1  -13  -20    8 o  224.141   15.346  642.407   85.378  685.639  131.257  610.699  112.409  228.171   23.366  216.276   21.081 11.89507 31.47038 
1 1 1  -13  -20    9 o  200.905   15.039  516.506   74.905  575.065  117.676  476.618   97.121  208.832   22.943  190.881   20.707 17.95152 30.90623 
1 1 1  -13  -20   10 o  174.393   25.846  409.455  109.148  409.455  109.148   0.0000   0.0000  174.393   25.846  ?   ?  0.000000 25.84561 
1 1 1  -13  -20   11 o  113.033   17.691  167.766   48.297  160.220   89.347  170.881   57.407  106.993   31.393  113.015   21.118 -6.022102 37.83473 
1 1 1  -13  -20   12 o  254.336   16.459  832.465  103.972  854.512  160.125  816.394  136.712  252.400   25.766  248.849   22.234 3.550720 34.03312 
1 1 1  -13  -20   13 o   70.983   21.410   66.833   41.111   38.902   87.729   74.693   46.537   73.607   30.088   74.890   22.822 -1.282776 37.76373 
1 1 1  -13  -20   14 o  109.512   21.811  162.562   57.552   0.0000   0.0000  162.562   57.552  ?   ?   109.512   21.811 0.000000 21.81108 
1 1 1  -13  -20   15 o   75.213   21.739   76.682   43.133 -20.4051   98.149   99.920   48.018   65.469   29.278   85.301   22.294 -19.83140 36.80012 
1 1 1  -13  -20   16 o   96.760   20.247  127.573   47.351  124.845  105.029  128.269   53.048   95.423   34.427   96.274   22.474 -0.8515930 41.11336 
1 1 1  -13  -20   17 o   73.757   21.554   74.806   42.194   43.677  100.693   81.436   46.471   75.900   31.741   76.723   22.677 -0.8227997 39.00897 
1 1 1  -13  -20   18 o  139.575   35.454  309.909  123.815  309.909  123.815   0.0000   0.0000  139.575   35.454  ?   ?  0.000000 35.45441 
1 1 1  -13  -20   19 o  113.979   19.439  179.161   53.343   98.540  114.351  201.585   60.307   86.352   34.693  120.244   20.839 -33.89226 40.47042 
1 1 1  -13  -20   20 o   98.636   20.140  137.631   47.930  145.050  118.995  136.194   52.366   94.109   36.105   97.013   22.108 -2.904297 42.33576 
1 1 1  -13  -20   21 o  168.760   18.442  394.612   76.455  209.077  143.696  467.874   90.297  103.055   39.643  182.154   20.191 -79.09824 44.48829 
1 1 1  -13  -20   22 o  141.200   20.865  289.182   71.354   0.0000   0.0000  289.182   71.354  ?   ?   141.200   20.865 0.000000 20.86478 
1 1 1  -13  -20   23 o  100.872   22.116  154.727   54.173   0.0000   0.0000  154.727   54.173  ?   ?   100.872   22.116 0.000000 22.11568 
1 1 1  -13  -20   24 o   79.301   22.644   99.309   47.063   0.0000   0.0000   99.309   47.063  ?   ?    79.301   22.644 0.000000 22.64397 
1 1 1  -13  -19    1 o  164.993   22.579  356.062   90.586  356.062   90.586   0.0000   0.0000  164.993   22.579  ?   ?  0.000000 22.57851 
1 1 1  -13  -19    2 o  198.414   14.432  500.449   71.016  558.254  106.279  453.819   95.454  207.725   20.767  187.090   20.782 20.63490 29.37955 
1 1 1  -13  -19    3 o  115.474   15.799  172.158   44.364  143.429   69.306  192.102   57.744  102.921   26.728  121.060   19.785 -18.13943 33.25375 
1 1 1  -13  -19    4 o  429.719   21.390  2376.77  229.535  2282.73  327.664  2467.39  321.642  412.532   32.059  430.718   30.093 -18.18558 43.96995 
1 1 1  -13  -19    5 o  119.747   15.706  185.067   45.833  176.798   74.669  190.066   58.057  114.048   26.691  120.221   20.044 -6.173180 33.37918 
1 1 1  -13  -19    6 o  162.209   19.418  341.888   77.093   0.0000   0.0000  341.888   77.093  ?   ?   162.209   19.418 0.000000 19.41817 
1 1 1  -13  -19    7 o  104.809   16.954  143.442   42.859  176.093   75.391  127.852   52.095  113.555   26.985   97.629   21.907 15.92601 34.75752 
1 1 1  -13  -19    8 o  245.498   15.521  769.505   94.660  821.335  141.646  727.678  127.247  250.498   22.897  236.178   21.822 14.31947 31.63032 
1 1 1  -13  -19    9 o  176.707   14.663  399.190   64.121  482.113  102.866  346.495   82.001  191.751   21.874  162.658   20.654 29.09377 30.08385 
1 1 1  -13  -19   10 o   70.912   19.964   66.700   36.851  140.639   72.457   40.902   42.800  101.233   27.808   60.735   21.967 40.49745 35.43810 
1 1 1  -13  -19   11 o  170.221   26.033  389.991  107.141  389.991  107.141   0.0000   0.0000  170.221   26.033  ?   ?  0.000000 26.03262 
1 1 1  -13  -19   12 o  229.390   15.960  675.089   90.854  658.239  139.783  687.414  119.550  221.883   25.704  229.220   21.123 -7.337708 33.26975 
1 1 1  -13  -19   13 o   42.924   18.150   3.1634   33.507  100.397   81.825 -16.4266   36.728   88.365   30.515   39.462   17.758 48.90253 35.30614 
1 1 1  -13  -19   14 f   46.015   19.049   8.9303   35.748 -13.7229   84.210   13.910   39.483   62.342   27.542   49.555   20.212 12.78664 34.16266 
1 1 1  -13  -19   15 o  196.999   16.264  501.409   79.294  585.239  138.461  460.500   96.726  206.909   27.477  186.603   21.130 20.30588 34.66230 
1 1 1  -13  -19   16 o  259.589   17.976  877.059  115.810  696.577  179.223  1006.44  151.744  220.455   33.619  275.241   22.268 -54.78593 40.32546 
1 1 1  -13  -19   17 o  140.672   17.727  260.810   60.890  201.298  115.806  283.549   71.583  115.815   36.124  145.657   20.226 -29.84117 41.40062 
1 1 1  -13  -19   18 f   97.175   20.422  129.375   47.981  209.508  107.810  109.582   53.581  117.237   34.508   88.390   23.762 28.84750 41.89813 
1 1 1  -13  -19   19 o   73.372   31.490   29.448  103.520   29.448  103.520   0.0000   0.0000   73.372   31.490  ?   ?  0.000000 31.48953 
1 1 1  -13  -19   20 o   55.770   20.845   35.148   39.066   37.747  107.580   34.753   41.929   74.571   32.055   56.503   21.490 18.06874 38.59208 
1 1 1  -13  -19   21 o  118.605   19.565  195.469   55.927   77.498  120.786  227.663   63.099   82.015   34.557  127.578   20.500 -45.56316 40.18006 
1 1 1  -13  -19   22 o   97.170   20.451  135.487   48.054  148.008  121.763  133.177   52.299   92.950   36.285   95.158   22.383 -2.207886 42.63341 
1 1 1  -13  -19   23 o   64.798   22.179   60.005   43.187   0.0000   0.0000   60.005   43.187  ?   ?    64.798   22.179 0.000000 22.17882 
1 1 1  -13  -19   24 o   36.819   16.683 -11.4690   33.066   0.0000   0.0000 -11.4690   33.066  ?   ?    36.819   16.683 0.000000 16.68326 
1 1 1  -13  -19   25 o   65.202   22.323   64.111   43.752   0.0000   0.0000   64.111   43.752  ?   ?    65.202   22.323 0.000000 22.32339 
1 1 1  -13  -18    1 o  323.591   17.635  1332.66  141.962  1244.41  203.508  1416.31  198.128  308.935   26.640  330.935   24.141 -22.00003 35.95103 
1 1 1  -13  -18    2 o  207.083   22.033  555.559  112.188  555.559  112.188   0.0000   0.0000  207.083   22.033  ?   ?  0.000000 22.03310 
1 1 1  -13  -18    3 f  383.852   19.621  1885.81  187.444  1821.45  267.328  1948.06  262.900  371.904   29.014  385.696   27.475 -13.79166 39.95905 
1 1 1  -13  -18    4 o  139.781   14.722  249.831   50.617  306.791   78.491  209.279   66.228  153.364   21.050  125.971   21.845 27.39368 30.33680 
1 1 1  -13  -18    5 o  210.394   20.344  572.226  105.553   0.0000   0.0000  572.226  105.553  ?   ?   210.394   20.344 0.000000 20.34427 
1 1 1  -13  -18    6 o  307.597   25.342  1239.36  192.925  1239.36  192.925   0.0000   0.0000  307.597   25.342  ?   ?  0.000000 25.34183 
1 1 1  -13  -18    7 o  343.935   18.778  1517.45  160.670  1363.89  231.553  1660.04  223.125  319.959   29.306  356.010   25.262 -36.05115 38.69109 
1 1 1  -13  -18    8 o  256.418   16.063  839.371  102.338  821.431  152.719  853.992  137.874  249.926   24.797  256.349   21.743 -6.423401 32.97942 
1 1 1  -13  -18    9 o  133.391   15.562  229.085   50.864  221.834   84.630  233.186   63.641  127.573   27.384  133.427   19.692 -5.853889 33.72952 
1 1 1  -13  -18   10 o  197.096   14.967  496.157   73.113  538.301  114.105  466.802   95.231  202.389   22.985  189.305   20.471 13.08392 30.77904 
1 1 1  -13  -18   11 o   71.831   20.293   68.393   38.009   84.220   73.360   62.586   44.438   82.736   28.875   69.956   22.448 12.77946 36.57417 
1 1 1  -13  -18   12 o  312.150   26.780  1296.72  206.730  1296.72  206.730   0.0000   0.0000  312.150   26.780  ?   ?  0.000000 26.78032 
1 1 1  -13  -18   13 o  118.004   17.210  181.747   49.221  248.701   89.707  152.910   58.874  134.647   27.607  106.427   22.836 28.21973 35.82751 
1 1 1  -13  -18   14 o  126.047   17.250  207.180   52.872  247.389   96.250  189.803   63.273  133.248   29.686  118.991   22.107 14.25690 37.01364 
1 1 1  -13  -18   15 o  145.040   16.987  273.283   60.360  223.180  105.864  297.416   73.473  124.913   33.323  150.283   20.080 -25.36974 38.90524 
1 1 1  -13  -18   16 o  150.467   16.982  294.395   62.694  265.152  112.886  307.438   75.389  135.645   33.520  152.555   20.293 -16.91017 39.18388 
1 1 1  -13  -18   17 o   60.174   21.657   41.501   41.533  142.889  104.797   22.609   45.238  101.524   34.550   54.793   21.889 46.73035 40.90008 
1 1 1  -13  -18   18 o  242.107   16.760  760.969  100.706  813.425  162.668  728.371  128.235  243.013   27.276  233.485   22.263 9.528229 35.20868 
1 1 1  -13  -18   19 o  184.811   16.321  445.908   74.551  592.326  135.777  382.715   89.199  205.977   27.051  168.320   21.729 37.65657 34.69743 
1 1 1  -13  -18   20 o  126.895   19.372  217.635   59.439  138.029  115.407  246.376   69.344   97.621   35.954  134.086   21.431 -36.46561 41.85722 
1 1 1  -13  -18   21 o  168.757   17.187  379.481   71.417  417.004  134.526  364.756   84.273  163.259   34.097  162.820   21.232 0.4387360 40.16753 
1 1 1  -13  -18   22 o  107.314   20.451  161.586   52.805   84.300  122.059  179.381   58.569   83.842   34.994  112.511   21.632 -28.66920 41.14009 
1 1 1  -13  -18   23 o   62.864   21.408   54.100   40.237  146.129  120.849   42.626   42.671   93.227   36.216   58.725   21.818 34.50145 42.28030 
1 1 1  -13  -18   24 o   73.804   22.708   81.158   45.940   0.0000   0.0000   81.158   45.940  ?   ?    73.804   22.708 0.000000 22.70825 
1 1 1  -13  -18   25 o   52.100   20.671   28.967   40.089   0.0000   0.0000   28.967   40.089  ?   ?    52.100   20.671 0.000000 20.67111 
1 1 1  -13  -18   26 o  122.252   22.029  225.712   64.778   0.0000   0.0000  225.712   64.778  ?   ?   122.252   22.029 0.000000 22.02917 
1 1 1  -13  -18   27 o   91.266   23.189  132.847   52.956   0.0000   0.0000  132.847   52.956  ?   ?    91.266   23.189 0.000000 23.18884 
1 1 1  -13  -17    1 o  506.379   24.020  3286.69  303.733  3158.98  430.954  3412.75  428.147  487.871   35.619  508.567   33.907 -20.69620 49.17765 
1 1 1  -13  -17    2 o  124.770   15.084  199.293   46.043  150.696   68.918  238.469   61.879  106.059   26.180  135.827   18.743 -29.76772 32.19756 
1 1 1  -13  -17    3 o  442.311   31.600  2580.32  346.739  2580.32  346.739   0.0000   0.0000  442.311   31.600  ?   ?  0.000000 31.60039 
1 1 1  -13  -17    4 o  246.975   21.643  786.733  132.132   0.0000   0.0000  786.733  132.132  ?   ?   246.975   21.643 0.000000 21.64258 
1 1 1  -13  -17    5 o  294.752   24.446  1129.40  178.312  1129.40  178.312   0.0000   0.0000  294.752   24.446  ?   ?  0.000000 24.44623 
1 1 1  -13  -17    6 o  339.849   17.955  1474.49  151.838  1517.68  218.368  1434.06  211.271  340.858   25.847  331.350   25.735 9.507690 36.47395 
1 1 1  -13  -17    7 o  177.629   14.608  401.932   64.224  381.681   96.945  417.770   85.736  170.455   23.392  179.790   19.404 -9.334717 30.39252 
1 1 1  -13  -17    8 o  120.025   15.754  185.822   46.079  149.999   73.921  208.587   58.928  105.032   27.763  126.350   19.288 -21.31738 33.80527 
1 1 1  -13  -17    9 o  126.038   20.102  208.529   61.143   0.0000   0.0000  208.529   61.143  ?   ?   126.038   20.102 0.000000 20.10189 
1 1 1  -13  -17   10 o  101.737   17.258  135.435   42.279  161.067   71.445  121.623   52.448  108.771   26.538   95.154   22.437 13.61702 34.75228 
1 1 1  -13  -17   11 o  295.812   16.831  1119.17  123.814  1167.14  182.030  1077.86  168.906  298.123   24.673  286.921   23.788 11.20163 34.27293 
1 1 1  -13  -17   12 o  294.482   17.049  1110.60  124.838  1124.87  184.237  1098.49  169.748  291.921   25.530  289.542   23.684 2.378998 34.82420 
1 1 1  -13  -17   13 o  191.601   25.042  488.202  116.952  488.202  116.952   0.0000   0.0000  191.601   25.042  ?   ?  0.000000 25.04244 
1 1 1  -13  -17   14 o  158.443   15.750  322.890   61.491  328.871  102.104  319.486   77.026  155.650   27.263  156.149   20.229 -0.4988556 33.94801 
1 1 1  -13  -17   15 o   72.873   21.412   70.360   41.539   84.046   83.440   65.851   47.896   84.258   30.642   71.727   23.332 12.53088 38.51344 
1 1 1  -13  -17   16 o  125.992   17.448  207.288   53.421  271.664  100.357  181.835   63.104  139.689   29.685  116.215   22.558 23.47394 37.28357 
1 1 1  -13  -17   17 o   95.712   20.813  123.483   48.329   37.465   95.849  152.806   55.963   75.780   31.267  106.413   21.793 -30.63303 38.11224 
1 1 1  -13  -17   18 o   61.993   22.577   43.167   45.322   0.0000   0.0000   43.167   45.322  ?   ?    61.993   22.577 0.000000 22.57689 
1 1 1  -13  -17   19 o  118.322   19.032  186.383   54.328  222.436  112.633  175.451   62.019  122.516   35.046  113.334   22.705 9.182076 41.75844 
1 1 1  -13  -17   20 o  162.329   17.200  345.837   68.662  351.666  125.175  343.328   82.119  154.093   33.487  159.841   21.088 -5.748413 39.57357 
1 1 1  -13  -17   21 o   81.989   22.205   93.757   46.586  214.354  110.983   67.964   51.327  117.565   35.114   71.627   24.180 45.93808 42.63420 
1 1 1  -13  -17   22 o  122.657   19.243  204.811   57.001  286.094  121.292  181.771   64.576  133.417   35.703  113.139   23.619 20.27785 42.80843 
1 1 1  -13  -17   23 o   97.457   21.461  134.876   50.815   18.678  119.112  160.730   56.185   73.342   32.561  106.384   21.880 -33.04241 39.22924 
1 1 1  -13  -17   24 o   52.570   20.473   28.661   38.695   45.190  117.432   26.648   40.983   75.294   32.917   52.650   20.897 22.64403 38.98961 
1 1 1  -13  -17   25 o   44.249   18.896   6.7589   36.939   0.0000   0.0000   6.7589   36.939  ?   ?    44.249   18.896 0.000000 18.89554 
1 1 1  -13  -17   26 o   60.304   21.972   49.390   42.934   0.0000   0.0000   49.390   42.934  ?   ?    60.304   21.972 0.000000 21.97229 
1 1 1  -13  -17   27 o   64.491   22.586   61.195   44.902   0.0000   0.0000   61.195   44.902  ?   ?    64.491   22.586 0.000000 22.58568 
1 1 1  -13  -17   28 o  132.631   22.234  268.998   71.032   0.0000   0.0000  268.998   71.032  ?   ?   132.631   22.234 0.000000 22.23351 
1 1 1  -13  -16    1 o  203.013   14.548  521.505   73.263  497.772  106.751  542.636  100.729  196.601   22.128  205.965   19.830 -9.363861 29.71329 
1 1 1  -13  -16    2 o  149.475   14.405  283.948   53.104  225.200   77.611  335.663   72.817  130.619   24.699  161.822   18.344 -31.20341 30.76564 
1 1 1  -13  -16    3 o  586.775   27.291  4443.83  399.898  4300.69  566.840  4585.67  564.251  565.239   40.425  585.370   38.821 -20.13177 56.04684 
1 1 1  -13  -16    4 o  418.167   30.155  2289.61  312.779  2289.61  312.779   0.0000   0.0000  418.167   30.155  ?   ?  0.000000 30.15510 
1 1 1  -13  -16    5 o  255.320   15.371  826.779   97.544  884.859  141.047  773.536  135.045  262.182   21.739  244.818   22.335 17.36432 31.16838 
1 1 1  -13  -16    6 o  221.305   14.824  621.610   81.452  616.445  119.387  626.108  111.408  218.202   22.220  220.512   20.465 -2.309845 30.20859 
1 1 1  -13  -16    7 o  216.451   14.981  595.388   80.478  550.766  118.411  633.695  109.712  205.522   23.494  221.852   20.019 -16.33035 30.86644 
1 1 1  -13  -16    8 o  171.473   14.417  374.351   61.162  373.190   92.371  375.256   81.615  168.939   22.452  170.332   19.541 -1.393265 29.76487 
1 1 1  -13  -16    9 o  272.829   16.375  948.690  111.050  885.159  161.255  1006.00  153.156  259.936   25.157  278.655   22.194 -18.71896 33.54774 
1 1 1  -13  -16   10 o   68.145   21.937   58.678   42.412   0.0000   0.0000   58.678   42.412  ?   ?    68.145   21.937 0.000000 21.93695 
1 1 1  -13  -16   11 o  245.386   15.467  767.292   94.291  813.381  139.996  729.026  127.564  249.852   22.685  236.817   21.816 13.03528 31.47317 
1 1 1  -13  -16   12 f  131.350   15.746  222.246   50.619  244.635   84.007  209.482   63.427  134.733   25.909  126.030   20.885 8.703392 33.27860 
1 1 1  -13  -16   13 o  381.733   19.891  1878.14  188.954  1853.78  272.623  1900.65  262.128  372.340   29.564  378.364   27.941 -6.024231 40.67797 
1 1 1  -13  -16   14 o  183.846   24.913  449.098  111.430  449.098  111.430   0.0000   0.0000  183.846   24.913  ?   ?  0.000000 24.91329 
1 1 1  -13  -16   15 o  174.938   15.676  392.629   67.756  415.961  110.190  378.443   85.919  176.287   25.794  170.069   20.655 6.217850 33.04439 
1 1 1  -13  -16   16 o  281.037   16.690  1012.76  116.607  1136.36  177.153  918.266  154.893  293.501   24.392  264.031   23.746 29.47012 34.04168 
1 1 1  -13  -16   17 o  121.783   18.216  194.463   53.696  247.542  100.188  173.073   63.601  132.925   30.788  113.163   23.283 19.76235 38.60054 
1 1 1  -13  -16   18 o  154.479   17.084  309.656   64.802  256.025  113.768  335.413   78.842  133.537   34.021  159.691   20.224 -26.15388 39.57810 
1 1 1  -13  -16   19 o   94.918   23.542  123.406   55.530   0.0000   0.0000  123.406   55.530  ?   ?    94.918   23.542 0.000000 23.54235 
1 1 1  -13  -16   20 o   85.245   22.417   99.490   48.356 -87.4253  101.661  154.144   54.972   58.093   27.325  106.631   21.389 -48.53772 34.70074 
1 1 1  -13  -16   21 o  179.101   16.875  419.057   74.585  488.482  135.639  388.968   89.296  185.071   30.405  170.209   21.488 14.86154 37.23178 
1 1 1  -13  -16   22 o  303.211   18.496  1213.51  139.377  1289.44  218.332  1161.28  181.072  300.586   29.466  289.965   25.259 10.62149 38.81037 
1 1 1  -13  -16   23 o   80.559   33.653   60.651  113.019   60.651  113.019   0.0000   0.0000   80.559   33.653  ?   ?  0.000000 33.65265 
1 1 1  -13  -16   24 o  126.798   19.800  221.659   60.645   78.788  129.440  261.841   68.646   84.609   35.718  137.469   20.634 -52.86005 41.24994 
1 1 1  -13  -16   25 o   61.156   21.925   48.515   42.527 -68.9168  120.259   65.299   45.464   62.026   29.340   68.230   22.758 -6.204174 37.13209 
1 1 1  -13  -16   26 o   35.428   16.438 -23.8007   34.792   0.0000   0.0000 -23.8007   34.792  ?   ?    35.428   16.438 0.000000 16.43837 
1 1 1  -13  -16   27 o  103.995   22.692  162.504   57.274   0.0000   0.0000  162.504   57.274  ?   ?   103.995   22.692 0.000000 22.69207 
1 1 1  -13  -16   28 o   54.066   21.231   33.799   41.887   0.0000   0.0000   33.799   41.887  ?   ?    54.066   21.231 0.000000 21.23120 
1 1 1  -13  -16   29 o   44.204   19.207   5.8346   39.458   0.0000   0.0000   5.8346   39.458  ?   ?    44.204   19.207 0.000000 19.20673 
1 1 1  -13  -15    1 o  546.330   20.636  3780.72  281.530  3404.34  489.234  3967.06  344.238  508.025   38.859  557.908   24.708 -49.88287 46.04885 
1 1 1  -13  -15    2 o   70.813   19.155   65.556   34.692   39.958   52.064   85.997   46.526   64.234   24.053   81.001   22.297 -16.76703 32.79800 
1 1 1  -13  -15    3 o  237.188   15.469  711.914   91.124  603.021  132.133  810.672  125.834  215.822   24.979  252.049   20.161 -36.22787 32.09980 
1 1 1  -13  -15    4 o  258.526   22.684  858.625  144.968  858.625  144.968   0.0000   0.0000  258.526   22.684  ?   ?  0.000000 22.68450 
1 1 1  -13  -15    5 o  432.380   30.796  2445.26  330.345  2445.26  330.345   0.0000   0.0000  432.380   30.796  ?   ?  0.000000 30.79629 
1 1 1  -13  -15    6 o  397.229   19.759  2007.79  196.001  2026.16  279.176  1989.94  275.240  394.138   28.558  390.670   28.408 3.468292 40.28115 
1 1 1  -13  -15    7 o  269.684   15.872  923.173  106.421  919.112  153.652  926.917  147.538  266.602   23.314  268.153   22.233 -1.550659 32.21587 
1 1 1  -13  -15    8 o  295.007   16.541  1106.62  121.363  1143.13  175.458  1073.14  168.049  297.003   23.858  287.834   23.587 9.169128 33.54958 
1 1 1  -13  -15    9 o  169.981   14.573  367.887   61.259  338.771   91.962  391.113   82.134  160.532   23.648  174.101   19.212 -13.56894 30.46871 
1 1 1  -13  -15   10 o  230.168   15.117  673.650   86.406  698.414  127.999  652.917  117.117  231.941   22.377  224.662   21.124 7.278671 30.77237 
1 1 1  -13  -15   11 o  200.596   20.251  520.622  100.055   0.0000   0.0000  520.622  100.055  ?   ?   200.596   20.251 0.000000 20.25138 
1 1 1  -13  -15   12 o  285.609   16.888  1041.64  119.916  946.050  173.889  1128.33  165.589  267.921   26.331  294.730   22.673 -26.80954 34.74688 
1 1 1  -13  -15   13 o  313.315   17.595  1256.15  137.104  1233.56  199.704  1276.29  188.564  305.914   26.400  312.409   24.363 -6.494598 35.92410 
1 1 1  -13  -15   14 o  293.797   16.809  1103.32  122.806  1170.66  181.374  1046.32  166.878  298.839   24.521  282.788   23.854 16.05112 34.20934 
1 1 1  -13  -15   15 o   67.424   27.382   29.516   72.068   29.516   72.068   0.0000   0.0000   67.424   27.382  ?   ?  0.000000 27.38173 
1 1 1  -13  -15   16 o   59.264   20.794   40.720   38.067   56.749   74.480   35.052   44.288   75.091   28.622   59.117   22.175 15.97328 36.20695 
1 1 1  -13  -15   17 o  256.119   16.689  841.110  106.157  814.972  161.166  861.141  141.086  247.258   26.516  256.601   22.238 -9.342682 34.60629 
1 1 1  -13  -15   18 o  198.420   16.186  505.862   79.503  491.097  127.293  515.304  101.800  190.569   27.548  198.469   20.852 -7.899933 34.54996 
1 1 1  -13  -15   19 o  109.793   19.577  160.033   51.706  134.943   97.920  169.733   60.886   99.978   33.400  112.203   22.513 -12.22430 40.27912 
1 1 1  -13  -15   20 o  145.965   21.211  283.041   75.052   0.0000   0.0000  283.041   75.052  ?   ?   145.965   21.211 0.000000 21.21113 
1 1 1  -13  -15   21 o  230.468   16.939  688.117   96.803  699.071  158.725  681.630  122.150  224.850   28.940  226.703   21.847 -1.853378 36.26073 
1 1 1  -13  -15   22 o  198.017   16.961  511.305   83.061  535.987  144.561  499.141  101.486  193.889   30.894  193.264   21.387 0.6251984 37.57418 
1 1 1  -13  -15   23 o  291.186   18.277  1116.75  132.227  1182.22  209.251  1073.24  170.605  288.101   29.501  279.568   24.691 8.532715 38.47049 
1 1 1  -13  -15   24 o   65.931   29.912 -23.3743  106.703 -23.3743  106.703   0.0000   0.0000   65.931   29.912  ?   ?  0.000000 29.91215 
1 1 1  -13  -15   25 o   46.751   19.715   8.6183   39.368   51.998  117.763   3.1605   41.771   78.609   33.657   46.359   19.952 32.24999 39.12664 
1 1 1  -13  -15   26 o   77.195   22.684   86.541   46.620  132.288  127.335   79.460   50.098   91.856   36.713   74.190   23.838 17.66646 43.77321 
1 1 1  -13  -15   27 o  104.521   23.025  161.785   58.474   0.0000   0.0000  161.785   58.474  ?   ?   104.521   23.025 0.000000 23.02504 
1 1 1  -13  -15   28 o   71.624   23.500   76.751   48.550   0.0000   0.0000   76.751   48.550  ?   ?    71.624   23.500 0.000000 23.50016 
1 1 1  -13  -15   30 o  104.343   23.341  170.239   59.295   0.0000   0.0000  170.239   59.295  ?   ?   104.343   23.341 0.000000 23.34079 
1 1 1  -13  -14    1 o  526.890   35.448  3608.67  463.688   0.0000   0.0000  3608.67  463.688  ?   ?   526.890   35.448 0.000000 35.44772 
1 1 1  -13  -14    2 o  411.422   20.122  2140.27  206.729   0.0000   0.0000  2140.27  206.729  ?   ?   411.422   20.122 0.000000 20.12160 
1 1 1  -13  -14    3 o  543.398   36.819  3869.52  496.672  3869.52  496.672   0.0000   0.0000  543.398   36.819  ?   ?  0.000000 36.81898 
1 1 1  -13  -14    4 o  232.006   14.820  680.111   85.416  687.560  123.704  673.324  118.084  231.751   21.625  229.525   20.829 2.226303 30.02478 
1 1 1  -13  -14    5 o   95.321   16.599  117.898   38.076  120.281   59.048  116.203   49.816   95.250   24.639   93.783   21.702 1.467812 32.83355 
1 1 1  -13  -14    6 o  167.848   21.142  363.767   86.651  363.767   86.651   0.0000   0.0000  167.848   21.142  ?   ?  0.000000 21.14225 
1 1 1  -13  -14    7 o  457.793   21.956  2675.22  251.005  2723.00  356.942  2628.47  353.039  455.650   31.565  447.478   31.801 8.172577 44.80636 
1 1 1  -13  -14    8 o  105.293   16.009  143.264   40.768  165.272   63.915  128.169   52.934  111.497   23.687   98.253   22.109 13.24446 32.40129 
1 1 1  -13  -14    9 o  155.938   14.501  309.606   55.820  295.650   84.073  320.609   74.647  150.125   23.172  157.544   19.383 -7.419495 30.20992 
1 1 1  -13  -14   10 o  223.567   15.208  635.153   84.398  553.457  123.167  707.467  115.879  205.745   24.451  234.575   19.972 -28.82936 31.57148 
1 1 1  -13  -14   11 o  229.597   15.244  670.232   86.906  673.292  128.632  667.664  117.879  227.582   22.947  227.344   21.001 0.2379913 31.10634 
1 1 1  -13  -14   12 o  407.954   29.540  2202.13  298.901   0.0000   0.0000  2202.13  298.901  ?   ?   407.954   29.540 0.000000 29.54030 
1 1 1  -13  -14   13 o  143.064   15.152  262.182   53.309  304.082   84.970  234.984   68.459  151.855   23.138  133.721   21.209 18.13435 31.38808 
1 1 1  -13  -14   14 o  243.609   15.656  756.385   94.740  794.691  141.355  725.144  127.654  246.795   23.209  236.229   21.888 10.56609 31.90233 
1 1 1  -13  -14   15 f  154.006   15.624  304.189   59.256  277.052   93.418  322.458   76.648  143.223   27.113  157.349   19.955 -14.12653 33.66468 
1 1 1  -13  -14   16 o  405.096   30.940  2202.80  310.620  2202.80  310.620   0.0000   0.0000  405.096   30.940  ?   ?  0.000000 30.93981 
1 1 1  -13  -14   17 o  215.477   15.696  593.574   83.877  630.408  129.746  567.128  109.939  218.727   24.157  208.521   21.417 10.20631 32.28436 
1 1 1  -13  -14   18 o   68.948   21.803   61.134   42.040   40.046   82.940   68.425   48.769   73.272   29.508   73.044   23.524 0.2280197 37.73738 
1 1 1  -13  -14   19 o   72.163   21.989   68.298   43.204  139.047   87.981   45.816   49.596  100.932   31.487   64.593   23.603 36.33871 39.35141 
1 1 1  -13  -14   20 f   93.822   21.656  118.813   49.710 -17.0723   95.484  169.336   58.222   66.081   29.254  112.447   21.518 -46.36660 36.31575 
1 1 1  -13  -14   21 o  137.333   21.959  251.891   72.770   0.0000   0.0000  251.891   72.770  ?   ?   137.333   21.959 0.000000 21.95870 
1 1 1  -13  -14   22 o  163.023   17.709  346.969   70.935  249.942  125.369  392.658   86.030  129.664   36.934  172.370   20.381 -42.70674 42.18462 
1 1 1  -13  -14   23 o  161.315   17.475  341.118   69.268  380.040  128.942  325.329   82.125  161.371   33.108  155.533   21.739 5.837891 39.60692 
1 1 1  -13  -14   24 o  128.316   18.977  220.601   58.974  284.544  121.345  200.827   67.480  136.093   35.378  120.334   23.298 15.75852 42.36046 
1 1 1  -13  -14   25 o   75.337   32.372   33.071  109.641   33.071  109.641   0.0000   0.0000   75.337   32.372  ?   ?  0.000000 32.37195 
1 1 1  -13  -14   26 o  237.910   17.841  757.617  105.223  798.839  179.490  736.033  129.881  228.033   32.434  229.557   22.965 -1.523148 39.74167 
1 1 1  -13  -14   27 o  238.342   18.581  773.692  109.715  722.849  187.687  800.083  135.225  206.054   37.871  237.131   23.130 -31.07697 44.37624 
1 1 1  -13  -14   28 o   75.293   24.373   84.141   52.300   0.0000   0.0000   84.141   52.300  ?   ?    75.293   24.373 0.000000 24.37296 
1 1 1  -13  -14   29 o  137.464   22.013  276.458   73.016   0.0000   0.0000  276.458   73.016  ?   ?   137.464   22.013 0.000000 22.01324 
1 1 1  -13  -14   30 o   77.563   24.063   93.642   51.463   0.0000   0.0000   93.642   51.463  ?   ?    77.563   24.063 0.000000 24.06260 
1 1 1  -13  -14   31 o  108.615   23.379  183.644   61.535   0.0000   0.0000  183.644   61.535  ?   ?   108.615   23.379 0.000000 23.37933 
1 1 1  -13  -13    1 o  258.765   21.818  852.039  139.669   0.0000   0.0000  852.039  139.669  ?   ?   258.765   21.818 0.000000 21.81799 
1 1 1  -13  -13    2 o  122.337   21.436  194.547   63.099   0.0000   0.0000  194.547   63.099  ?   ?   122.337   21.436 0.000000 21.43586 
1 1 1  -13  -13    3 o  230.970   12.394  670.965   71.222  460.242  125.605  770.823   86.466  188.069   27.563  247.362   14.056 -59.29340 30.93989 
1 1 1  -13  -13    4 o  560.134   20.880  3970.97  292.058  3487.47  506.720  4211.50  357.393  514.614   39.739  575.223   24.881 -60.60938 46.88499 
1 1 1  -13  -13    5 o  412.649   15.888  2144.31  163.719  2313.97  286.980  2062.46  199.340  424.383   27.223  403.757   19.771 20.62628 33.64504 
1 1 1  -13  -13    6 f  371.223   18.874  1747.67  174.392  1744.24  248.245  1751.01  245.040  367.818   27.220  368.714   26.796 -0.8958130 38.19672 
1 1 1  -13  -13    7 o  316.849   24.861  1292.13  195.127  1292.13  195.127   0.0000   0.0000  316.849   24.861  ?   ?  0.000000 24.86073 
1 1 1  -13  -13    8 o  213.934   14.760  579.619   78.370  497.781  113.098  655.211  108.696  195.969   23.584  226.406   19.413 -30.43726 30.54664 
1 1 1  -13  -13    9 o  263.707   15.620  881.456  102.403  920.223  148.237  846.070  141.628  267.395   22.407  256.343   22.348 11.05154 31.64643 
1 1 1  -13  -13   10 o  479.370   22.934  2947.71  274.542  2966.61  390.641  2929.27  385.924  473.032   33.282  470.200   33.078 2.832428 46.92424 
1 1 1  -13  -13   11 o   78.718   19.235   82.039   37.490   36.549   60.199  110.860   47.917   65.642   25.544   91.305   21.390 -25.66299 33.31729 
1 1 1  -13  -13   12 o  479.078   23.111  2955.63  276.493  2938.00  393.973  2972.75  388.131  468.544   33.901  472.015   33.139 -3.470612 47.40694 
1 1 1  -13  -13   13 o  273.884   22.752  972.411  154.204   0.0000   0.0000  972.411  154.204  ?   ?   273.884   22.752 0.000000 22.75244 
1 1 1  -13  -13   14 o  139.771   15.125  250.263   51.950  353.638   83.845  185.848   66.186  164.816   20.837  118.079   23.273 46.73619 31.23846 
1 1 1  -13  -13   15 o   91.189   19.347  110.239   42.691   44.886   71.087  147.104   53.390   71.257   27.750  105.257   21.048 -33.99995 34.82922 
1 1 1  -13  -13   16 o  457.659   22.520  2707.05  257.367  2702.12  368.666  2711.74  359.452  447.450   33.232  449.211   32.258 -1.761139 46.31335 
1 1 1  -13  -13   17 o  212.180   24.472  592.829  127.289  592.829  127.289   0.0000   0.0000  212.180   24.472  ?   ?  0.000000 24.47223 
1 1 1  -13  -13   18 o  167.497   15.589  359.534   64.457  459.881  105.694  300.115   81.332  186.983   23.129  150.844   22.261 36.13924 32.10122 
1 1 1  -13  -13   19 o   95.368   20.977  121.732   48.599   17.178   87.594  168.229   58.414   69.895   29.438  112.325   21.610 -42.43047 36.51814 
1 1 1  -13  -13   20 o  153.512   17.055  304.713   64.275  244.850  108.065  337.482   79.954  131.824   32.925  160.518   20.408 -28.69412 38.73681 
1 1 1  -13  -13   21 o  141.291   17.494  259.538   60.405  330.281  108.896  228.096   72.597  154.845   29.234  130.423   23.138 24.42177 37.28205 
1 1 1  -13  -13   22 o  253.043   22.777  845.383  142.383   0.0000   0.0000  845.383  142.383  ?   ?   253.043   22.777 0.000000 22.77668 
1 1 1  -13  -13   23 o  149.453   18.256  292.823   66.717  226.960  122.804  320.402   79.467  123.940   36.918  155.271   21.037 -31.33074 42.49107 
1 1 1  -13  -13   24 o  286.768   18.111  1073.42  129.030  1111.74  202.649  1047.28  167.332  282.465   29.149  278.490   24.305 3.974731 37.95213 
1 1 1  -13  -13   25 o  238.854   17.825  749.844  105.554  704.982  173.756  776.083  132.883  219.367   32.720  239.569   22.475 -20.20247 39.69500 
1 1 1  -13  -13   26 o  290.945   31.849  1253.97  227.617  1253.97  227.617   0.0000   0.0000  290.945   31.849  ?   ?  0.000000 31.84897 
1 1 1  -13  -13   27 o  243.262   23.431  829.028  140.576   0.0000   0.0000  829.028  140.576  ?   ?   243.262   23.431 0.000000 23.43102 
1 1 1  -13  -13   28 o  113.936   39.413  237.771  136.530  237.771  136.530   0.0000   0.0000  113.936   39.413  ?   ?  0.000000 39.41285 
1 1 1  -13  -13   29 o   55.799   22.012   32.777   45.216   0.0000   0.0000   32.777   45.216  ?   ?    55.799   22.012 0.000000 22.01168 
1 1 1  -13  -13   30 o   32.252   15.461 -43.6141   35.761   0.0000   0.0000 -43.6141   35.761  ?   ?    32.252   15.461 0.000000 15.46129 
1 1 1  -13  -13   31 o   53.831   21.525   30.775   43.793   0.0000   0.0000   30.775   43.793  ?   ?    53.831   21.525 0.000000 21.52511 
1 1 1  -13  -13   32 o   62.234   22.950   55.375   47.041   0.0000   0.0000   55.375   47.041  ?   ?    62.234   22.950 0.000000 22.94981 
1 1 1  -13  -12    1 f  521.505   19.465  3424.91  253.496  3509.59  441.670  3383.31  309.560  522.338   34.047  517.193   23.969 5.144531 41.63741 
1 1 1  -13  -12    2 o  251.410   21.913  804.096  136.199   0.0000   0.0000  804.096  136.199  ?   ?   251.410   21.913 0.000000 21.91315 
1 1 1  -13  -12    3 o  711.125   31.506  6473.87  559.495   0.0000   0.0000  6473.87  559.495  ?   ?   711.125   31.506 0.000000 31.50641 
1 1 1  -13  -12    4 o  589.523   21.108  4392.19  310.742  4745.20  541.005  4218.39  379.608  604.907   35.977  575.789   26.401 29.11780 44.62463 
1 1 1  -13  -12    5 f  359.690   15.041  1626.20  135.104  1523.77  236.306  1675.95  164.673  344.413   27.710  364.610   18.086 -20.19678 33.08991 
1 1 1  -13  -12    6 o  187.193   11.404  440.961   53.052  387.318   96.647  464.097   63.470  173.245   22.901  191.790   13.335 -18.54578 26.50060 
1 1 1  -13  -12    7 o  286.135   12.849  1028.22   91.810  1079.07  162.964  1004.57  111.123  290.531   22.641  281.968   15.846 8.563690 27.63508 
1 1 1  -13  -12    8 o  289.202   23.714  1073.70  169.753  1073.70  169.753   0.0000   0.0000  289.202   23.714  ?   ?  0.000000 23.71390 
1 1 1  -13  -12    9 o  132.429   14.714  223.629   47.835  223.606   71.893  223.647   64.078  130.589   22.880  131.258   20.197 -0.6689148 30.51891 
1 1 1  -13  -12   10 f  458.304   22.046  2681.89  252.307  2708.48  358.779  2655.86  354.886  454.207   31.833  449.776   31.802 4.431946 44.99646 
1 1 1  -13  -12   11 o  385.105   19.499  1891.81  186.905  1917.32  267.028  1867.30  261.699  383.401   28.086  378.455   27.887 4.945862 39.57923 
1 1 1  -13  -12   12 o  347.103   18.480  1536.21  159.603  1438.46  228.283  1629.67  223.227  331.518   27.833  354.325   25.397 -22.80774 37.67849 
1 1 1  -13  -12   13 f  167.768   14.783  358.475   61.302  349.474   92.840  365.433   81.626  163.248   23.447  168.113   19.825 -4.865097 30.70472 
1 1 1  -13  -12   14 o  182.605   20.159  431.264   90.391   0.0000   0.0000  431.264   90.391  ?   ?   182.605   20.159 0.000000 20.15866 
1 1 1  -13  -12   15 o   73.165   20.319   70.637   38.448   91.273   66.399   60.228   47.158   84.463   27.471   69.792   23.174 14.67040 35.94022 
1 1 1  -13  -12   16 f  291.904   17.184  1087.96  124.709  1008.88  181.536  1158.62  171.612  276.837   26.587  298.610   23.196 -21.77298 35.28315 
1 1 1  -13  -12   17 o  163.139   15.817  340.916   63.628  283.219   99.879  380.325   82.545  144.432   28.704  171.274   19.656 -26.84210 34.78857 
1 1 1  -13  -12   18 o   97.539   30.030  127.451   80.328  127.451   80.328   0.0000   0.0000   97.539   30.030  ?   ?  0.000000 30.03029 
1 1 1  -13  -12   19 o  348.273   18.988  1558.45  164.515  1538.05  239.816  1576.60  226.108  340.073   28.502  345.833   26.381 -5.759888 38.83721 
1 1 1  -13  -12   20 o  116.428   18.547  177.631   52.115  234.895   92.348  150.872   63.129  130.729   29.043  105.570   24.430 25.15915 37.95163 
1 1 1  -13  -12   21 f  260.671   17.059  871.792  110.435  850.808  168.553  887.575  146.182  252.425   27.167  260.381   22.709 -7.956573 35.40866 
1 1 1  -13  -12   22 o  249.686   16.779  800.744  104.014  866.268  163.824  756.492  134.632  254.873   26.108  239.886   22.747 14.98683 34.62726 
1 1 1  -13  -12   23 o  248.711   22.751  816.267  139.734   0.0000   0.0000  816.267  139.734  ?   ?   248.711   22.751 0.000000 22.75072 
1 1 1  -13  -12   24 o  106.069   21.596  152.266   55.257  147.929  111.768  153.669   63.570  103.515   35.669  105.603   24.568 -2.087944 43.31108 
1 1 1  -13  -12   25 o  222.919   17.315  647.508   95.631  680.846  160.755  629.248  118.972  219.898   30.062  216.821   22.291 3.076767 37.42468 
1 1 1  -13  -12   26 f  218.988   17.803  630.750   96.514  595.094  164.333  649.525  119.246  200.079   34.114  219.337   22.071 -19.25812 40.63137 
1 1 1  -13  -12   27 o   92.797   36.419  115.137  123.177  115.137  123.177   0.0000   0.0000   92.797   36.419  ?   ?  0.000000 36.41851 
1 1 1  -13  -12   28 o  235.444   18.042  742.992  105.273  760.691  180.687  733.896  129.529  220.805   33.849  229.304   22.928 -8.498367 40.88305 
1 1 1  -13  -12   29 o  115.412   20.968  188.267   58.205  229.998  133.963  178.555   64.624  112.535   39.034  110.310   24.131 2.225304 45.89096 
1 1 1  -13  -12   30 o   85.629   24.512  110.791   55.077   0.0000   0.0000  110.791   55.077  ?   ?    85.629   24.512 0.000000 24.51172 
1 1 1  -13  -12   31 o   82.403   24.407  104.124   53.788   0.0000   0.0000  104.124   53.788  ?   ?    82.403   24.407 0.000000 24.40740 
1 1 1  -13  -12   32 o   79.655   24.569   99.210   53.741   0.0000   0.0000   99.210   53.741  ?   ?    79.655   24.569 0.000000 24.56921 
1 1 1  -13  -12   33 o  116.467   23.984  211.870   67.431   0.0000   0.0000  211.870   67.431  ?   ?   116.467   23.984 0.000000 23.98368 
1 1 1  -13  -11    1 o  260.987   22.031  864.737  142.239  864.737  142.239   0.0000   0.0000  260.987   22.031  ?   ?  0.000000 22.03067 
1 1 1  -13  -11    2 f  376.972   15.506  1783.42  145.967  1553.78  253.919  1896.76  178.389  348.391   29.462  388.365   18.394 -39.97449 34.73290 
1 1 1  -13  -11    3 o  616.122   40.475  4933.32  619.264   0.0000   0.0000  4933.32  619.264  ?   ?   616.122   40.475 0.000000 40.47451 
1 1 1  -13  -11    4 o  208.357   11.729  545.550   60.781  470.632  108.969  579.385   73.230  191.552   23.258  214.492   13.744 -22.93916 27.01521 
1 1 1  -13  -11    5 o  265.023   12.681  880.638   83.922  805.468  148.377  915.996  101.763  251.032   23.960  269.629   15.175 -18.59676 28.36173 
1 1 1  -13  -11    6 o  317.605   14.044  1266.50  111.385  1077.56  194.852  1358.21  135.752  289.549   27.270  328.129   16.622 -38.57980 31.93594 
1 1 1  -13  -11    7 o  449.691   17.471  2548.66  196.193  2615.87  342.611  2515.87  239.316  450.298   30.651  445.723   21.501 4.575134 37.44010 
1 1 1  -13  -11    8 o  484.330   18.555  2963.06  224.411  2938.58  391.170  2975.07  273.982  475.327   33.163  483.938   22.672 -8.610870 40.17186 
1 1 1  -13  -11    9 o  294.274   16.256  1095.16  118.995  1094.11  172.435  1096.12  164.419  292.015   23.855  292.661   22.675 -0.6464844 32.91191 
1 1 1  -13  -11   10 o  315.724   17.066  1263.11  134.054  1317.93  191.693  1210.65  187.537  320.214   24.150  306.631   24.701 13.58356 34.54551 
1 1 1  -13  -11   11 o  342.322   18.027  1488.61  153.561  1497.75  219.598  1479.86  214.816  340.255   26.043  338.400   25.610 1.854462 36.52536 
1 1 1  -13  -11   12 o  386.915   19.692  1909.54  189.632  1865.47  270.465  1952.15  265.952  377.871   28.881  387.284   27.682 -9.413422 40.00524 
1 1 1  -13  -11   13 o  254.989   15.639  825.308   99.102  840.284  143.891  811.794  136.689  254.984   22.840  250.885   22.041 4.099380 31.74077 
1 1 1  -13  -11   14 o  278.022   16.306  982.716  112.713  995.248  163.977  971.492  155.187  276.976   23.943  274.071   22.884 2.904724 33.12034 
1 1 1  -13  -11   15 o  138.366   20.681  249.999   69.264   0.0000   0.0000  249.999   69.264  ?   ?   138.366   20.681 0.000000 20.68066 
1 1 1  -13  -11   16 o  174.930   15.059  390.139   65.143  388.321   99.191  391.518   86.384  171.956   23.732  173.806   20.284 -1.849991 31.21975 
1 1 1  -13  -11   17 o  299.653   17.212  1145.92  128.256  1133.40  186.709  1157.11  176.486  294.169   25.674  298.166   23.904 -3.997284 35.07912 
1 1 1  -13  -11   18 o  190.105   15.461  461.249   72.763  455.571  111.182  465.502   96.235  185.935   24.545  189.396   20.684 -3.460754 32.09826 
1 1 1  -13  -11   19 o  168.287   26.060  377.376  105.976  377.376  105.976   0.0000   0.0000  168.287   26.060  ?   ?  0.000000 26.06003 
1 1 1  -13  -11   20 o  178.388   15.871  407.476   69.960  465.827  112.253  370.417   89.460  187.791   24.523  168.152   21.819 19.63867 32.82411 
1 1 1  -13  -11   21 o  216.888   16.241  602.102   87.324  605.764  136.003  599.533  113.904  213.567   26.041  214.454   21.562 -0.8868256 33.80854 
1 1 1  -13  -11   22 o  363.641   19.651  1706.19  177.782  1722.92  261.072  1691.71  242.767  358.381   29.432  356.685   27.467 1.695648 40.25745 
1 1 1  -13  -11   23 o  297.979   18.024  1143.29  133.487  1139.85  201.900  1145.97  177.923  291.372   28.097  294.672   24.399 -3.300110 37.21176 
1 1 1  -13  -11   24 o  233.242   22.271  716.739  128.142   0.0000   0.0000  716.739  128.142  ?   ?   233.242   22.271 0.000000 22.27116 
1 1 1  -13  -11   25 o  389.309   21.242  1990.12  205.732  1944.70  303.709  2028.63  279.672  372.271   33.012  384.683   29.335 -12.41156 44.16267 
1 1 1  -13  -11   26 o  113.938   24.341  179.865   67.152   0.0000   0.0000  179.865   67.152  ?   ?   113.938   24.341 0.000000 24.34064 
1 1 1  -13  -11   27 f   79.195   33.297   45.787  111.749   45.787  111.749   0.0000   0.0000   79.195   33.297  ?   ?  0.000000 33.29708 
1 1 1  -13  -11   28 o  113.112   37.577  205.934  123.990  205.934  123.990   0.0000   0.0000  113.112   37.577  ?   ?  0.000000 37.57661 
1 1 1  -13  -11   29 o  154.377   18.702  323.162   70.627  357.177  141.793  311.939   81.449  144.969   38.514  149.057   22.590 -4.088196 44.65008 
1 1 1  -13  -11   30 o   60.525   22.567   44.637   45.732   60.576  130.189   42.394   48.845   80.349   34.900   60.499   23.150 19.84946 41.87986 
1 1 1  -13  -11   31 o   71.265   24.496   73.086   52.700   0.0000   0.0000   73.086   52.700  ?   ?    71.265   24.496 0.000000 24.49606 
1 1 1  -13  -11   32 o  128.722   23.493  246.509   72.735   0.0000   0.0000  246.509   72.735  ?   ?   128.722   23.493 0.000000 23.49322 
1 1 1  -13  -11   33 o  125.585   23.582  238.966   71.238   0.0000   0.0000  238.966   71.238  ?   ?   125.585   23.582 0.000000 23.58157 
1 1 1  -13  -11   34 o   84.806   24.844  116.250   55.996   0.0000   0.0000  116.250   55.996  ?   ?    84.806   24.844 0.000000 24.84365 
1 1 1  -13  -10    1 o  213.703   11.922  573.462   63.367  450.316  111.438  632.305   77.033  187.374   24.395  224.224   13.825 -36.85037 28.03989 
1 1 1  -13  -10    2 o  450.579   17.390  2549.56  195.670  2523.24  340.208  2562.57  239.191  444.509   30.840  451.092   21.234 -6.583008 37.44274 
1 1 1  -13  -10    3 o  508.941   18.666  3256.88  237.236  3603.13  413.591  3087.09  289.617  531.084   31.325  494.499   23.454 36.58521 39.13179 
1 1 1  -13  -10    4 o  480.924   32.501  2965.88  388.029   0.0000   0.0000  2965.88  388.029  ?   ?   480.924   32.501 0.000000 32.50075 
1 1 1  -13  -10    5 o  510.784   18.675  3283.77  238.203  3645.72  415.519  3106.59  290.715  533.499   31.327  495.665   23.487 37.83432 39.15366 
1 1 1  -13  -10    6 o  242.839   12.393  741.029   74.901  621.330  132.835  796.827   90.694  220.116   24.586  251.551   14.499 -31.43498 28.54322 
1 1 1  -13  -10    7 o  231.483   12.111  673.534   69.768  618.449  124.379  698.822   84.274  219.836   22.997  235.480   14.401 -15.64455 27.13390 
1 1 1  -13  -10    8 o  521.100   19.640  3429.50  255.575  2880.36  443.536  3702.47  312.709  468.845   38.216  540.236   23.180 -71.39017 44.69614 
1 1 1  -13  -10    9 o  240.069   12.447  725.178   74.362  611.512  132.246  777.735   89.925  217.806   24.754  248.294   14.567 -30.48749 28.72198 
1 1 1  -13  -10   10 o  348.907   17.175  1536.35  149.646  1751.99  215.808  1336.64  207.689  370.189   23.466  322.256   26.031 47.93329 35.04652 
1 1 1  -13  -10   11 o  123.696   12.064  193.960   36.792   92.113   70.018  232.807   43.243   85.991   28.222  135.486   12.938 -49.49556 31.04646 
1 1 1  -13  -10   12 o  168.401   14.473  359.938   60.271  376.174   89.214  346.305   81.747  170.592   21.414  163.835   20.425 6.757324 29.59264 
1 1 1  -13  -10   13 o  181.188   14.501  416.638   65.063  446.670   96.581  391.685   88.037  186.011   21.169  174.187   20.641 11.82401 29.56671 
1 1 1  -13  -10   14 o  228.971   15.150  665.219   86.134  671.681  125.682  659.496  118.279  227.979   22.364  226.276   21.179 1.703659 30.80098 
1 1 1  -13  -10   15 o  316.644   17.392  1276.40  136.994  1318.10  199.020  1238.84  188.856  318.475   25.231  308.955   24.685 9.519653 35.29804 
1 1 1  -13  -10   16 o  398.143   28.973  2084.65  286.080   0.0000   0.0000  2084.65  286.080  ?   ?   398.143   28.973 0.000000 28.97252 
1 1 1  -13  -10   17 f  317.161   17.786  1283.76  140.301  1207.70  202.315  1354.22  194.732  303.361   26.988  322.787   24.338 -19.42560 36.34135 
1 1 1  -13  -10   18 o  285.651   16.842  1040.35  119.606  1046.49  174.968  1034.97  163.873  283.025   25.014  282.196   23.467 0.8287048 34.29868 
1 1 1  -13  -10   19 o  317.113   17.830  1285.27  140.620  1267.81  204.507  1300.92  193.669  310.607   26.623  315.711   24.764 -5.103912 36.36003 
1 1 1  -13  -10   20 o   96.505   30.343  123.568   81.524  123.568   81.524   0.0000   0.0000   96.505   30.343  ?   ?  0.000000 30.34287 
1 1 1  -13  -10   21 o  466.794   23.151  2822.95  269.870  2761.96  386.875  2880.77  376.638  450.738   34.636  462.257   32.842 -11.51849 47.73103 
1 1 1  -13  -10   22 o  151.474   17.008  296.009   63.221  330.836  105.464  276.474   78.986  156.304   28.051  144.567   22.621 11.73686 36.03513 
1 1 1  -13  -10   23 o  243.921   16.556  762.086  100.250  878.407  157.900  683.534  129.757  258.074   24.807  228.241   23.083 29.83221 33.88544 
1 1 1  -13  -10   24 o  119.789   19.992  189.691   57.697  137.783  106.834  211.065   68.554  101.957   34.883  125.595   22.693 -23.63847 41.61508 
1 1 1  -13  -10   25 o  400.667   30.277  2188.04  300.698   0.0000   0.0000  2188.04  300.698  ?   ?   400.667   30.277 0.000000 30.27709 
1 1 1  -13  -10   26 o  178.534   18.082  415.941   79.505  371.491  137.161  438.433   97.569  159.498   35.365  181.544   21.969 -22.04660 41.63269 
1 1 1  -13  -10   27 o  105.810   22.444  153.691   57.467   33.087  117.730  191.415   65.844   79.373   33.810  118.084   23.157 -38.71166 40.97947 
1 1 1  -13  -10   28 o  130.944   20.424  232.021   64.606   86.645  128.375  281.330   74.765   89.540   36.475  143.880   21.465 -54.33974 42.32224 
1 1 1  -13  -10   29 o  147.105   38.170  353.103  141.423  353.103  141.423   0.0000   0.0000  147.105   38.170  ?   ?  0.000000 38.16975 
1 1 1  -13  -10   30 o  128.925   20.487  230.199   63.751  181.969  134.562  244.157   72.390  104.476   38.758  131.309   22.910 -26.83321 45.02290 
1 1 1  -13  -10   31 o  102.283   22.495  151.353   55.894  246.175  142.235  134.036   60.783  114.927   40.201   94.600   25.256 20.32664 47.47636 
1 1 1  -13  -10   32 o  110.535   24.376  182.691   65.475   0.0000   0.0000  182.691   65.475  ?   ?   110.535   24.376 0.000000 24.37569 
1 1 1  -13  -10   33 o   54.833   22.322   28.107   48.042   0.0000   0.0000   28.107   48.042  ?   ?    54.833   22.322 0.000000 22.32218 
1 1 1  -13  -10   34 o   67.216   24.457   65.492   53.165   0.0000   0.0000   65.492   53.165  ?   ?    67.216   24.457 0.000000 24.45667 
1 1 1  -13  -10   35 o   46.102   20.213   4.2399   44.564   0.0000   0.0000   4.2399   44.564  ?   ?    46.102   20.213 0.000000 20.21283 
1 1 1  -13   -9    1 o  437.153   16.446  2396.88  179.531  2656.41  313.046  2269.69  219.152  457.568   27.525  424.845   20.657 32.72311 34.41407 
1 1 1  -13   -9    2 o  472.610   18.101  2804.72  213.625  2727.56  370.952  2843.01  261.305  462.138   32.348  475.180   22.021 -13.04172 39.13178 
1 1 1  -13   -9    3 o  379.531   15.540  1806.45  147.282  1550.84  255.924  1933.03  180.093  348.432   29.697  392.259   18.385 -43.82724 34.92726 
1 1 1  -13   -9    4 o  137.903   10.844  239.451   37.042  284.313   70.983  222.662   43.423  149.106   19.534  132.657   13.287 16.44946 23.62405 
1 1 1  -13   -9    5 o  264.709   21.968  889.522  143.905   0.0000   0.0000  889.522  143.905  ?   ?   264.709   21.968 0.000000 21.96844 
1 1 1  -13   -9    6 o  896.860   32.099 10274.12  718.895 10532.22  1247.00 10145.64  879.816  885.809   56.671  885.923   39.769 -0.1146240 69.23242 
1 1 1  -13   -9    7 o  336.860   14.198  1423.75  119.434  1405.99  209.428  1432.31  145.395  332.046   25.451  337.035   17.334 -4.989685 30.79312 
1 1 1  -13   -9    8 o  359.939   14.549  1626.70  130.772  1779.24  229.803  1553.65  159.032  373.686   24.767  350.749   18.219 22.93692 30.74628 
1 1 1  -13   -9    9 o  280.580   12.979  987.789   90.940  1006.88  161.406  978.908  110.075  280.860   23.222  278.534   15.891 2.325928 28.13867 
1 1 1  -13   -9   10 o  415.608   16.484  2175.62  171.078  2227.66  299.177  2150.34  208.536  415.857   28.991  412.273   20.256 3.583649 35.36598 
1 1 1  -13   -9   11 o  275.611   15.995  960.299  109.615  893.167  159.031  1021.06  151.295  263.589   24.438  282.825   21.585 -19.23651 32.60578 
1 1 1  -13   -9   12 o  263.583   12.675  873.028   83.428  839.533  148.754  888.398  100.767  255.472   23.583  265.082   15.287 -9.609055 28.10479 
1 1 1  -13   -9   13 o  407.622   16.313  2098.86  166.053  2074.07  291.021  2110.83  202.199  399.096   29.408  407.647   19.863 -8.550415 35.48761 
1 1 1  -13   -9   14 o  302.042   13.408  1148.89  101.128  1218.88  180.788  1117.02  122.000  307.481   23.729  296.724   16.530 10.75748 28.91892 
1 1 1  -13   -9   15 o  115.837   16.328  173.029   45.920  205.706   71.760  150.368   59.758  124.593   23.934  106.328   23.161 18.26515 33.30579 
1 1 1  -13   -9   16 o  360.302   26.878  1692.71  240.095   0.0000   0.0000  1692.71  240.095  ?   ?   360.302   26.878 0.000000 26.87839 
1 1 1  -13   -9   17 o  302.111   17.190  1162.36  129.151  1172.28  188.274  1153.55  177.497  299.999   25.369  298.205   24.040 1.794098 34.95020 
1 1 1  -13   -9   18 f  367.522   19.259  1728.10  176.139  1714.13  252.854  1741.28  245.504  361.086   28.268  364.651   27.155 -3.564789 39.19779 
1 1 1  -13   -9   19 o  340.069   18.463  1478.38  156.201  1456.67  225.502  1498.41  216.573  332.988   27.361  338.670   25.802 -5.681976 37.60803 
1 1 1  -13   -9   20 o  353.620   18.996  1601.49  167.129  1583.69  241.595  1617.82  231.445  346.522   28.163  351.268   26.582 -4.746857 38.72665 
1 1 1  -13   -9   21 o  140.651   28.566  268.458   96.907  268.458   96.907   0.0000   0.0000  140.651   28.566  ?   ?  0.000000 28.56559 
1 1 1  -13   -9   22 o  184.917   16.084  437.667   73.532  484.854  116.766  406.656   94.659  191.562   25.006  176.331   21.974 15.23134 33.28898 
1 1 1  -13   -9   23 o  122.481   19.054  196.413   56.382  246.949   98.895  172.077   68.628  133.852   30.293  112.814   25.017 21.03848 39.28758 
1 1 1  -13   -9   24 f  112.657   20.661  168.365   55.983  180.890  101.919  162.953   66.995  114.013   33.550  109.583   25.031 4.430305 41.85891 
1 1 1  -13   -9   25 o  177.805   21.859  416.076   95.011   0.0000   0.0000  416.076   95.011  ?   ?   177.805   21.859 0.000000 21.85856 
1 1 1  -13   -9   26 o  129.526   24.459  227.566   76.213   0.0000   0.0000  227.566   76.213  ?   ?   129.526   24.459 0.000000 24.45914 
1 1 1  -13   -9   27 o  361.028   20.342  1707.14  182.645  1680.14  272.121  1729.29  246.390  346.844   31.771  356.166   27.926 -9.322510 42.29976 
1 1 1  -13   -9   28 o   46.378   20.297  -5.7133   44.755   37.197  108.555 -14.5006   49.125   77.748   32.760   46.602   20.786 31.14605 38.79792 
1 1 1  -13   -9   29 o   60.713   22.908   39.967   47.408   32.981  113.767   41.435   52.151   77.214   33.071   62.604   23.929 14.60948 40.82056 
1 1 1  -13   -9   30 o   71.866   32.195  -3.1262  119.236  -3.1262  119.236   0.0000   0.0000   71.866   32.195  ?   ?  0.000000 32.19547 
1 1 1  -13   -9   31 o   43.131   19.261 -10.6582   42.314 -16.6337  120.557  -9.8186   45.189   69.186   31.545   44.795   19.961 24.39104 37.33014 
1 1 1  -13   -9   32 o  156.590   19.836  339.979   75.826  264.505  157.014  362.935   86.592  116.662   42.093  159.849   22.300 -43.18698 47.63540 
1 1 1  -13   -9   33 o  146.553   23.105  312.327   81.758   0.0000   0.0000  312.327   81.758  ?   ?   146.553   23.105 0.000000 23.10539 
1 1 1  -13   -9   34 o  102.128   25.242  161.049   64.008   0.0000   0.0000  161.049   64.008  ?   ?   102.128   25.242 0.000000 25.24240 
1 1 1  -13   -9   35 o   67.458   24.832   65.924   55.040   0.0000   0.0000   65.924   55.040  ?   ?    67.458   24.832 0.000000 24.83230 
1 1 1  -13   -9   36 o  144.795   24.019  325.701   83.803   0.0000   0.0000  325.701   83.803  ?   ?   144.795   24.019 0.000000 24.01862 
1 1 1  -13   -8    1 o  363.905   12.617  1657.57  114.658  1645.30  162.055  1669.88  162.249  362.098   17.922  364.805   17.810 -2.706879 25.26656 
1 1 1  -13   -8    2 o  1074.61   37.975 14753.20  1019.06 14134.03  1764.67 15062.98  1248.22  1023.15   69.480  1079.91   46.286 -56.76398 83.48565 
1 1 1  -13   -8    3 o  771.508   27.559  7526.64  530.942  7601.78  920.877  7489.22  649.825  763.971   48.521  767.106   33.923 -3.134705 59.20358 
1 1 1  -13   -8    4 o  800.673   28.300  8117.73  565.843  7569.64  979.923  8391.90  693.065  759.167   52.003  811.479   34.202 -52.31183 62.24201 
1 1 1  -13   -8    5 o  265.906   22.007  896.797  144.817   0.0000   0.0000  896.797  144.817  ?   ?   265.906   22.007 0.000000 22.00709 
1 1 1  -13   -8    6 o  787.933   51.211  8190.76  1002.17   0.0000   0.0000  8190.76  1002.17  ?   ?   787.933   51.211 0.000000 51.21140 
1 1 1  -13   -8    7 o  159.316   11.220  319.347   44.352  249.428   80.980  349.308   53.010  138.493   24.302  166.470   12.851 -27.97614 27.49050 
1 1 1  -13   -8    8 o  458.799   17.531  2647.45  200.852  2737.17  350.110  2603.43  245.217  462.185   30.506  454.111   21.624 8.073700 37.39289 
1 1 1  -13   -8    9 o  455.017   17.337  2605.39  196.996  2775.21  343.997  2522.52  240.302  465.212   29.767  446.777   21.538 18.43481 36.74215 
1 1 1  -13   -8   10 o  236.916   12.290  705.748   72.460  643.709  129.443  734.061   87.444  224.116   23.477  241.296   14.581 -17.18069 27.63659 
1 1 1  -13   -8   11 o  382.103   15.119  1836.35  144.265  2033.19  253.414  1741.96  175.475  398.598   25.595  370.903   19.009 27.69476 31.88161 
1 1 1  -13   -8   12 o  304.235   15.512  1168.58  117.456  1390.62  171.753  973.507  160.986  330.522   20.917  275.539   23.625 54.98270 31.55418 
1 1 1  -13   -8   13 o  294.432   13.292  1090.00   97.730  1085.19  173.733  1092.23  118.205  290.525   24.166  293.810   16.173 -3.285309 29.07874 
1 1 1  -13   -8   14 o  186.416   11.329  437.915   52.489  492.068   99.009  416.745   61.905  195.699   20.567  181.434   13.766 14.26466 24.74918 
1 1 1  -13   -8   15 o  217.425   12.345  596.414   66.753  439.746  120.649  665.533   80.137  182.671   27.285  229.377   14.058 -46.70590 30.69368 
1 1 1  -13   -8   16 o  415.153   16.955  2183.57  175.771  1960.51  307.943  2291.35  214.068  384.972   32.332  423.984   20.219 -39.01172 38.13322 
1 1 1  -13   -8   17 o  247.908   21.939  792.865  134.413   0.0000   0.0000  792.865  134.413  ?   ?   247.908   21.939 0.000000 21.93862 
1 1 1  -13   -8   18 o  234.188   15.599  697.114   90.705  712.465  134.483  684.302  122.857  234.268   23.297  230.156   21.630 4.112534 31.78999 
1 1 1  -13   -8   19 o  161.522   15.405  333.151   61.383  363.525   95.252  311.579   80.274  166.455   23.574  154.572   21.368 11.88335 31.81744 
1 1 1  -13   -8   20 o  300.338   17.236  1150.17  128.729  1190.53  187.960  1114.52  176.665  302.109   25.143  292.610   24.400 9.498566 35.03599 
1 1 1  -13   -8   21 o  110.214   19.303  159.429   51.190  110.581   83.148  189.243   64.960   92.863   30.768  119.404   22.614 -26.54006 38.18442 
1 1 1  -13   -8   22 o  440.325   32.848  2602.28  358.587  2602.28  358.587   0.0000   0.0000  440.325   32.848  ?   ?  0.000000 32.84789 
1 1 1  -13   -8   23 o  275.599   17.399  971.570  119.126  911.288  177.362  1021.12  160.794  262.261   27.490  280.013   23.204 -17.75195 35.97446 
1 1 1  -13   -8   24 o  228.541   17.068  669.322   96.708  593.717  149.550  723.660  126.783  210.007   29.316  235.842   21.773 -25.83478 36.51722 
1 1 1  -13   -8   25 o  157.528   31.430  342.989  119.307  342.989  119.307   0.0000   0.0000  157.528   31.430  ?   ?  0.000000 31.43043 
1 1 1  -13   -8   26 o  167.328   17.578  362.423   72.351  418.820  124.796  333.870   88.798  174.796   29.650  158.515   23.112 16.28050 37.59385 
1 1 1  -13   -8   27 o  119.626   24.525  195.048   70.804   0.0000   0.0000  195.048   70.804  ?   ?   119.626   24.525 0.000000 24.52517 
1 1 1  -13   -8   28 o  231.016   16.976  691.627   97.246  897.299  163.267  578.541  121.064  257.507   25.734  207.557   23.787 49.94975 35.04392 
1 1 1  -13   -8   29 o   89.348   23.660  111.016   53.625  211.400  118.956   85.413   60.076  118.086   36.576   79.650   26.142 38.43607 44.95728 
1 1 1  -13   -8   30 f   61.270   23.186   40.716   48.653   20.014  119.300   44.846   53.285   76.248   33.260   63.947   24.249 12.30130 41.16076 
1 1 1  -13   -8   31 o   61.901   29.224 -83.7699  118.258 -83.7699  118.258   0.0000   0.0000   61.901   29.224  ?   ?  0.000000 29.22412 
1 1 1  -13   -8   32 o   99.084   23.213  141.757   56.430  217.717  134.746  125.601   62.142  111.638   39.124   91.972   25.936 19.66626 46.93985 
1 1 1  -13   -8   33 o   78.403   24.603   90.347   53.628  227.517  145.036   68.623   57.718  110.229   40.350   70.746   25.522 39.48293 47.74435 
1 1 1  -13   -8   34 o   82.262   25.651  102.906   58.397   0.0000   0.0000  102.906   58.397  ?   ?    82.262   25.651 0.000000 25.65093 
1 1 1  -13   -8   35 o  148.998   23.630  329.656   84.989   0.0000   0.0000  329.656   84.989  ?   ?   148.998   23.630 0.000000 23.63045 
1 1 1  -13   -8   36 o  202.152   23.152  611.468  114.766   0.0000   0.0000  611.468  114.766  ?   ?   202.152   23.152 0.000000 23.15198 
1 1 1  -13   -8   37 o   76.509   24.528   94.321   53.064   0.0000   0.0000   94.321   53.064  ?   ?    76.509   24.528 0.000000 24.52780 
1 1 1  -13   -7    1 o  603.378   18.934  4569.79  285.287  4573.11  403.437  4566.48  403.478  601.996   26.837  601.555   26.859 0.4414063 37.96888 
1 1 1  -13   -7    2 o  375.211   13.099  1762.38  122.738  1750.11  173.538  1774.67  173.619  373.409   18.611  376.032   18.489 -2.623779 26.23369 
1 1 1  -13   -7    3 f  518.294   15.365  3366.49  198.860  3353.44  281.300  3379.54  281.161  516.321   21.817  518.344   21.721 -2.022522 30.78650 
1 1 1  -13   -7    4 o  1039.73   36.600 13794.28  950.299 13254.37  1645.79 14064.33  1163.94  992.916   66.764  1044.42   44.628 -51.49884 80.30602 
1 1 1  -13   -7    5 o  551.381   20.533  3823.66  282.715  3569.12  490.393  3950.37  346.002  527.046   37.505  559.523   24.763 -32.47754 44.94265 
1 1 1  -13   -7    6 o  879.095   57.062 10265.25  1245.88   0.0000   0.0000 10265.25  1245.88  ?   ?   879.095   57.062 0.000000 57.06157 
1 1 1  -13   -7    7 o  263.276   12.243  868.038   80.492  897.665  142.673  854.205   97.488  266.032   21.664  260.543   15.048 5.488953 26.37773 
1 1 1  -13   -7    8 o  550.122   19.610  3810.09  269.400  4258.93  469.497  3589.77  328.941  576.521   32.746  532.684   24.728 43.83771 41.03431 
1 1 1  -13   -7    9 o  387.530   15.824  1886.23  153.137  1706.78  266.774  1974.43  187.019  364.862   29.533  395.988   18.913 -31.12650 35.06966 
1 1 1  -13   -7   10 o  351.314   13.620  1548.48  119.488  1841.50  211.188  1410.52  144.913  380.951   22.297  334.345   17.417 46.60608 28.29321 
1 1 1  -13   -7   11 o  487.232   18.627  2993.76  226.641  3076.35  395.120  2953.27  276.683  487.951   32.614  482.686   22.954 5.264282 39.88248 
1 1 1  -13   -7   12 o  555.877   25.819  3940.94  358.405  3791.56  508.913  4087.93  504.834  537.438   38.168  559.396   36.336 -21.95892 52.69819 
1 1 1  -13   -7   13 o  302.347   13.757  1149.14  103.865  1048.19  182.569  1197.45  126.295  285.232   25.915  307.755   16.494 -22.52325 30.71815 
1 1 1  -13   -7   14 o  255.521   12.081  819.963   77.089  893.592  138.796  787.116   92.703  264.357   21.203  249.533   14.946 14.82425 25.94147 
1 1 1  -13   -7   15 o  503.104   18.988  3210.41  238.551  3404.82  417.096  3115.90  290.810  509.265   32.975  493.554   23.595 15.71109 40.54695 
1 1 1  -13   -7   16 o  418.216   17.102  2214.28  178.609  1909.85  312.422  2362.08  217.691  379.994   33.259  430.766   20.237 -50.77194 38.93206 
1 1 1  -13   -7   17 o  152.936   11.637  295.712   44.111  270.238   86.259  304.733   51.330  142.946   25.079  154.957   13.397 -12.01031 28.43315 
1 1 1  -13   -7   18 f  306.657   24.358  1218.19  184.992   0.0000   0.0000  1218.19  184.992  ?   ?   306.657   24.358 0.000000 24.35807 
1 1 1  -13   -7   19 o  408.613   16.087  2114.85  164.152  2230.50  291.173  2060.97  198.745  412.596   28.434  401.901   19.803 10.69476 34.65016 
1 1 1  -13   -7   20 o  235.866   15.727  707.590   92.101  748.062  136.567  673.826  124.737  240.088   23.062  228.087   22.181 12.00006 31.99764 
1 1 1  -13   -7   21 o  227.438   15.561  658.175   87.850  757.901  132.450  579.842  117.387  241.907   22.172  211.191   22.610 30.71541 31.66714 
1 1 1  -13   -7   22 o  122.738   18.149  195.793   53.947  273.061   90.833  153.684   67.055  142.805   26.445  106.773   25.500 36.03238 36.73682 
1 1 1  -13   -7   23 o  227.297   25.319  678.888  141.268  678.888  141.268   0.0000   0.0000  227.297   25.319  ?   ?  0.000000 25.31881 
1 1 1  -13   -7   24 o  239.057   22.606  744.096  133.350   0.0000   0.0000  744.096  133.350  ?   ?   239.057   22.606 0.000000 22.60607 
1 1 1  -13   -7   25 o  189.517   16.965  461.136   79.441  502.020  128.536  435.867  101.052  193.801   27.317  182.252   22.695 11.54846 35.51484 
1 1 1  -13   -7   26 o  345.050   19.290  1533.95  165.551  1557.61  244.366  1513.88  225.071  341.254   28.949  337.930   26.894 3.323395 39.51327 
1 1 1  -13   -7   27 o  270.332   17.692  940.916  118.773  1004.69  184.979  896.177  154.929  273.762   27.427  260.479   24.091 13.28268 36.50517 
1 1 1  -13   -7   28 o  241.975   23.159  776.070  138.231   0.0000   0.0000  776.070  138.231  ?   ?   241.975   23.159 0.000000 23.15917 
1 1 1  -13   -7   29 o  130.258   20.952  227.480   65.842  211.762  125.652  233.429   77.305  119.234   37.693  130.377   24.647 -11.14297 45.03610 
1 1 1  -13   -7   30 o  158.445   18.833  332.872   73.058  341.581  133.656  329.161   87.245  149.792   36.146  155.299   23.209 -5.507385 42.95539 
1 1 1  -13   -7   31 o  189.802   17.971  477.451   84.164  582.015  153.379  432.400  100.675  198.309   32.067  177.147   23.325 21.16167 39.65293 
1 1 1  -13   -7   32 o   59.837   28.483 -98.8168  116.848 -98.8168  116.848   0.0000   0.0000   59.837   28.483  ?   ?  0.000000 28.48277 
1 1 1  -13   -7   33 o  106.328   23.337  163.273   60.263  149.201  142.842  166.320   66.468   97.254   38.880  106.080   25.423 -8.826797 46.45391 
1 1 1  -13   -7   34 o  181.110   18.666  449.435   83.210  523.566  174.137  427.499   94.725  168.357   41.649  173.347   22.407 -4.990524 47.29400 
1 1 1  -13   -7   35 o  149.968   22.353  324.477   81.156   0.0000   0.0000  324.477   81.156  ?   ?   149.968   22.353 0.000000 22.35343 
1 1 1  -13   -7   36 o   57.187   22.553   36.688   47.453   0.0000   0.0000   36.688   47.453  ?   ?    57.187   22.553 0.000000 22.55268 
1 1 1  -13   -7   37 o  208.037   23.722  654.619  121.034   0.0000   0.0000  654.619  121.034  ?   ?   208.037   23.722 0.000000 23.72200 
1 1 1  -13   -7   38 f   62.212   23.236   55.823   48.525   0.0000   0.0000   55.823   48.525  ?   ?    62.212   23.236 0.000000 23.23587 
1 1 1  -13   -6    1 o  853.835   26.223  9191.67  559.130  9297.31  790.848  9086.10  790.611  854.612   37.057  844.662   37.483 9.949585 52.70849 
1 1 1  -13   -6    2 o  533.805   17.100  3572.94  227.944  3529.95  322.322  3615.95  322.400  529.429   24.380  535.894   24.092 -6.464783 34.27511 
1 1 1  -13   -6    3 o  393.144   13.678  1935.24  134.286  1911.92  189.759  1958.63  190.061  390.212   19.474  394.973   19.270 -4.761230 27.39617 
1 1 1  -13   -6    4 o  648.367   20.427  5282.66  330.733  5348.48  467.804  5216.88  467.650  650.338   28.805  642.187   29.161 8.151611 40.98950 
1 1 1  -13   -6    5 o  769.997   23.848  7470.97  458.553  7578.17  648.651  7363.88  648.332  772.022   33.646  760.832   34.124 11.18994 47.92155 
1 1 1  -13   -6    6 o  563.327   37.034  4071.46  518.072   0.0000   0.0000  4071.46  518.072  ?   ?   563.327   37.034 0.000000 37.03448 
1 1 1  -13   -6    7 o  454.810   31.004  2639.90  350.024   0.0000   0.0000  2639.90  350.024  ?   ?   454.810   31.004 0.000000 31.00378 
1 1 1  -13   -6    8 o  507.218   19.244  3235.90  243.742  3043.04  423.286  3331.58  298.131  486.594   35.070  513.802   23.236 -27.20834 42.06927 
1 1 1  -13   -6    9 o  559.504   20.897  3945.62  291.969  3858.47  507.047  3988.85  357.116  546.533   37.376  561.284   25.479 -14.75031 45.23429 
1 1 1  -13   -6   10 o  447.265   17.540  2516.05  195.906  2373.72  340.820  2586.28  239.410  429.715   31.990  452.712   21.177 -22.99774 38.36462 
1 1 1  -13   -6   11 o  491.086   18.771  3039.06  230.193  3057.93  400.815  3029.77  281.191  486.865   33.165  489.206   23.018 -2.341064 40.36982 
1 1 1  -13   -6   12 o  663.660   24.409  5594.99  404.521  5458.17  702.351  5662.90  494.836  641.957   44.079  664.892   29.803 -22.93500 53.20921 
1 1 1  -13   -6   13 o  214.386   14.361  580.271   76.441  549.955  113.255  605.636  103.596  207.073   22.251  218.115   19.216 -11.04245 29.40020 
1 1 1  -13   -6   14 o  596.148   22.157  4516.76  329.843  4590.24  573.875  4480.51  403.074  588.940   39.245  591.061   27.309 -2.120972 47.81190 
1 1 1  -13   -6   15 o  477.408   17.883  2882.52  213.201  3227.08  373.627  2716.15  259.618  498.504   30.156  461.706   22.517 36.79834 37.63497 
1 1 1  -13   -6   16 o  456.833   17.616  2641.58  200.961  2756.93  351.967  2585.79  244.783  459.401   30.859  450.379   21.765 9.022980 37.76250 
1 1 1  -13   -6   17 o  167.704   11.296  354.872   47.031  359.567   90.342  353.127   55.084  166.359   22.309  166.947   13.324 -0.5878448 25.98461 
1 1 1  -13   -6   18 o  190.574   11.229  457.923   53.204  582.070  103.406  413.226   62.046  212.983   19.664  180.527   13.869 32.45604 24.06350 
1 1 1  -13   -6   19 o  125.824   22.148  208.331   67.048   0.0000   0.0000  208.331   67.048  ?   ?   125.824   22.148 0.000000 22.14775 
1 1 1  -13   -6   20 o  217.969   12.337  600.081   66.875  567.581  126.508  612.685   78.783  208.370   24.800  219.794   14.434 -11.42400 28.69438 
1 1 1  -13   -6   21 o  360.525   15.084  1644.14  135.797  1682.00  243.020  1626.95  163.747  358.489   27.353  357.056   18.428 1.432983 32.98132 
1 1 1  -13   -6   22 o  242.768   13.114  745.477   79.209  686.374  148.601  768.933   93.617  228.398   26.550  246.000   15.315 -17.60217 30.65037 
1 1 1  -13   -6   23 o  169.660   12.704  364.933   53.434  217.996  109.767  410.566   61.172  125.546   34.120  179.791   13.729 -54.24517 36.77853 
1 1 1  -13   -6   24 o  158.977   28.170  339.933  107.741  339.933  107.741   0.0000   0.0000  158.977   28.170  ?   ?  0.000000 28.17041 
1 1 1  -13   -6   25 o  301.103   17.948  1160.47  134.337  1172.62  199.762  1150.43  181.509  298.085   27.133  296.572   24.734 1.512604 36.71508 
1 1 1  -13   -6   26 o  267.063   17.541  913.891  116.330  922.155  176.794  907.580  154.484  263.631   27.248  263.376   23.744 0.2555237 36.14156 
1 1 1  -13   -6   27 o  267.655   17.634  920.071  117.203  945.011  179.480  901.529  154.756  266.195   27.391  261.918   23.925 4.277100 36.36863 
1 1 1  -13   -6   28 f  130.153   20.225  223.757   63.600  231.048  118.034  220.774   75.497  126.853   35.735  127.723   24.563 -0.8694382 43.36245 
1 1 1  -13   -6   29 o  320.466   26.334  1381.83  208.875   0.0000   0.0000  1381.83  208.875  ?   ?   320.466   26.334 0.000000 26.33368 
1 1 1  -13   -6   30 o  125.868   21.533  213.896   65.249  105.905  124.308  254.966   76.659   94.468   36.722  136.881   23.259 -42.41319 43.46813 
1 1 1  -13   -6   31 o   79.064   24.468   85.890   53.250  160.511  116.113   66.016   59.923  104.447   36.334   72.694   26.029 31.75349 44.69569 
1 1 1  -13   -6   32 o  182.082   18.617  442.465   83.460  475.486  154.589  428.881   99.151  174.029   36.726  176.307   23.074 -2.278763 43.37289 
1 1 1  -13   -6   33 o   98.214   38.263  146.668  135.194  146.668  135.194   0.0000   0.0000   98.214   38.263  ?   ?  0.000000 38.26306 
1 1 1  -13   -6   34 o  227.389   18.783  702.044  105.703  654.127  183.638  725.786  129.264  196.087   38.876  226.625   23.167 -30.53731 45.25551 
1 1 1  -13   -6   35 o  265.665   19.503  971.574  128.482  961.660  218.096  976.844  159.002  236.290   38.270  259.070   24.883 -22.77957 45.64874 
1 1 1  -13   -6   36 o  181.914   22.769  478.828  101.168   0.0000   0.0000  478.828  101.168  ?   ?   181.914   22.769 0.000000 22.76894 
1 1 1  -13   -6   37 o  154.931   22.735  353.834   85.344   0.0000   0.0000  353.834   85.344  ?   ?   154.931   22.735 0.000000 22.73530 
1 1 1  -13   -6   38 o   50.797   21.385   18.887   46.194   0.0000   0.0000   18.887   46.194  ?   ?    50.797   21.385 0.000000 21.38526 
1 1 1  -13   -5    1 o  728.927   22.015  6678.60  400.729  6709.24  566.825  6647.99  566.609  728.169   31.172  724.796   31.305 3.372437 44.17825 
1 1 1  -13   -5    2 o  568.284   18.197  4051.02  258.233  3999.25  364.972  4102.92  365.423  563.297   25.946  570.614   25.645 -7.316284 36.48100 
1 1 1  -13   -5    3 o  633.202   19.948  5034.76  315.418  5147.21  446.196  4922.45  445.940  638.481   27.985  624.229   28.608 14.25177 40.01951 
1 1 1  -13   -5    4 f  761.585   23.586  7301.51  448.570  7271.60  634.289  7331.44  634.457  756.869   33.560  760.026   33.429 -3.156494 47.36813 
1 1 1  -13   -5    5 o  302.632   11.067  1145.69   83.637  1161.30  118.404  1130.15  118.157  304.003   15.650  299.864   15.835 4.138977 22.26381 
1 1 1  -13   -5    6 o  738.406   22.989  6865.98  423.897  6961.45  599.614  6770.58  599.347  740.428   32.429  730.038   32.876 10.39014 46.17912 
1 1 1  -13   -5    7 o  707.578   30.704  6352.61  542.523  7522.12  768.510  5190.77  765.985  764.544   40.396  630.192   49.061 134.3515 63.55147 
1 1 1  -13   -5    8 o  913.981   31.832 10625.91  726.518 10800.54  1260.41 10539.02  889.080  902.605   56.198  905.872   39.303 -3.267151 68.57807 
1 1 1  -13   -5    9 o  255.467   12.478  817.422   79.605  771.737  140.262  839.131   96.686  246.253   23.078  258.220   15.059 -11.96642 27.55709 
1 1 1  -13   -5   10 o  345.615   13.867  1497.74  119.684  1639.07  210.046  1429.79  145.640  359.397   23.534  336.843   17.373 22.55450 29.25196 
1 1 1  -13   -5   11 o  181.594   11.375  414.634   51.323  467.020   93.945  392.348   61.275  191.477   19.940  176.296   14.035 15.18089 24.38384 
1 1 1  -13   -5   12 o  197.365   11.746  489.874   57.632  405.226  103.626  527.780   69.345  177.247   24.032  204.638   13.648 -27.39120 27.63693 
1 1 1  -13   -5   13 o  311.185   13.734  1215.89  106.726  1219.64  187.857  1214.10  129.689  308.853   24.560  310.081   16.811 -1.228546 29.76253 
1 1 1  -13   -5   14 o  295.242   16.942  1102.30  124.386  896.271  178.820  1295.43  173.135  263.265   27.611  318.853   21.877 -55.58847 35.22736 
1 1 1  -13   -5   15 o  131.633   11.306  218.956   36.803  218.952   71.934  218.957   42.833  129.299   23.128  131.344   13.240 -2.045471 26.64940 
1 1 1  -13   -5   16 o  333.745   13.579  1401.30  113.173  1571.44  201.010  1322.34  136.940  350.223   23.114  323.076   17.034 27.14682 28.71228 
1 1 1  -13   -5   17 o  302.245   13.746  1150.28  103.749  1077.48  183.971  1184.22  125.633  288.435   25.815  305.673   16.520 -17.23785 30.64815 
1 1 1  -13   -5   18 o  152.171   11.480  292.579   43.304  253.037   83.989  306.897   50.540  138.273   25.255  155.595   13.130 -17.32173 28.46381 
1 1 1  -13   -5   19 o   88.743   13.333  101.360   28.633  118.956   65.781   97.247   31.803   94.574   26.690   86.504   15.282 8.069786 30.75487 
1 1 1  -13   -5   20 o  389.091   28.543  1980.97  275.394   0.0000   0.0000  1980.97  275.394  ?   ?   389.091   28.543 0.000000 28.54263 
1 1 1  -13   -5   21 o  247.545   13.029  774.360   80.257  688.107  147.684  810.508   95.606  229.107   26.289  252.731   15.220 -23.62411 30.37715 
1 1 1  -13   -5   22 o  297.443   13.916  1116.86  103.362  1079.85  187.775  1132.94  123.807  287.332   26.468  298.425   16.680 -11.09341 31.28520 
1 1 1  -13   -5   23 o  139.929   12.820  248.842   44.300  167.711   99.010  269.148   49.534  111.250   33.152  145.374   13.811 -34.12473 35.91333 
1 1 1  -13   -5   24 o   70.622   16.432   65.778   28.433  119.398   83.037   58.657   30.262   95.610   30.686   66.737   17.823 28.87261 35.48637 
1 1 1  -13   -5   25 o  206.977   15.677  546.245   80.424  508.874  131.613  568.515  101.600  195.484   27.739  209.973   19.604 -14.48904 33.96695 
1 1 1  -13   -5   26 o  352.166   13.845  1568.57  121.753  2030.44  229.220  1387.05  143.701  395.448   23.315  329.459   17.530 65.98889 29.16992 
1 1 1  -13   -5   27 o  207.740   13.385  548.031   69.069  413.322  140.869  590.664   79.248  172.467   33.917  215.298   14.830 -42.83084 37.01765 
1 1 1  -13   -5   28 o  111.755   22.177  167.223   59.707  138.267  109.805  179.378   71.143  102.645   35.355  114.844   25.474 -12.19877 43.57612 
1 1 1  -13   -5   29 o   85.295   24.911   98.280   56.377   15.857  111.541  126.561   65.337   76.498   32.755   96.030   26.418 -19.53101 42.08105 
1 1 1  -13   -5   30 o  180.438   22.779  434.946  100.352   0.0000   0.0000  434.946  100.352  ?   ?   180.438   22.779 0.000000 22.77878 
1 1 1  -13   -5   31 o  164.924   18.005  357.408   72.947  505.062  140.734  303.164   85.301  188.190   31.028  149.075   23.708 39.11536 39.04895 
1 1 1  -13   -5   32 o  201.673   17.611  535.336   87.804  656.578  160.756  483.789  104.821  212.786   31.178  188.503   22.726 24.28261 38.58179 
1 1 1  -13   -5   33 o  244.826   18.226  796.992  110.631  803.138  183.434  793.478  138.694  231.248   32.675  239.591   23.483 -8.342697 40.23851 
1 1 1  -13   -5   34 o  126.334   39.835  279.103  140.411  279.103  140.411   0.0000   0.0000  126.334   39.835  ?   ?  0.000000 39.83544 
1 1 1  -13   -5   35 o  218.608   18.553  648.843  100.324  717.005  184.357  620.166  119.581  207.816   36.875  209.000   23.309 -1.183624 43.62442 
1 1 1  -13   -5   36 o   68.615   23.987   65.343   50.634 -10.0248  146.824   75.517   53.944   73.550   34.000   72.612   24.788 0.9376984 42.07646 
1 1 1  -13   -5   37 o   90.374   25.487  125.926   60.008   0.0000   0.0000  125.926   60.008  ?   ?    90.374   25.487 0.000000 25.48710 
1 1 1  -13   -5   38 o  122.379   24.147  227.697   71.173   0.0000   0.0000  227.697   71.173  ?   ?   122.379   24.147 0.000000 24.14707 
1 1 1  -13   -5   39 o  104.271   25.417  174.510   65.582   0.0000   0.0000  174.510   65.582  ?   ?   104.271   25.417 0.000000 25.41728 
1 1 1  -13   -4    1 o  486.854   15.900  2969.63  193.311  2937.32  273.338  3001.97  273.428  483.350   22.646  488.676   22.406 -5.325714 31.85715 
1 1 1  -13   -4    2 o  704.431   21.910  6236.58  385.422  6318.99  545.112  6154.20  545.025  706.794   30.885  697.396   31.296 9.397339 43.96917 
1 1 1  -13   -4    3 o  297.975   11.267  1110.58   83.841  1129.02  118.578  1092.15  118.560  299.759   15.898  294.777   16.168 4.981873 22.67469 
1 1 1  -13   -4    4 o  692.689   21.473  6030.53  371.433  6190.64  525.517  5870.71  525.053  699.620   30.080  681.070   30.872 18.55011 43.10284 
1 1 1  -13   -4    5 o  875.471   26.846  9671.77  586.905  9646.72  829.949  9696.83  830.069  869.645   38.217  871.947   38.122 -2.301941 53.97988 
1 1 1  -13   -4    6 o  652.468   20.496  5349.85  333.945  5341.08  472.271  5358.63  472.269  649.812   29.104  650.892   29.056 -1.080139 41.12510 
1 1 1  -13   -4    7 o  479.919   18.041  2891.04  216.212  2691.63  372.398  2992.45  265.554  459.218   32.688  487.671   21.806 -28.45279 39.29346 
1 1 1  -13   -4    8 o  573.114   25.996  4149.42  372.052  4146.23  524.663  4152.64  527.672  568.328   37.173  568.690   37.365 -0.3616943 52.70648 
1 1 1  -13   -4    9 o  456.875   17.717  2621.68  202.130  2531.25  351.587  2666.32  247.036  444.941   31.854  460.109   21.501 -15.16779 38.43101 
1 1 1  -13   -4   10 o  620.161   22.810  4853.36  353.245  4622.80  612.706  4968.15  432.329  596.804   41.367  625.899   27.660 -29.09491 49.76305 
1 1 1  -13   -4   11 o  688.243   25.005  5997.33  429.747  6142.65  746.171  5925.21  525.687  685.567   43.814  681.617   30.884 3.949829 53.60513 
1 1 1  -13   -4   12 o  202.863   11.436  517.130   57.699  500.445  103.815  524.588   69.407  197.978   21.336  204.045   13.701 -6.067154 25.35612 
1 1 1  -13   -4   13 o  154.956   10.928  302.271   42.017  361.423   79.667  279.477   49.454  168.204   19.317  148.639   13.470 19.56526 23.54967 
1 1 1  -13   -4   14 o  204.228   11.768  524.714   59.764  507.152  107.972  532.471   71.759  198.876   22.116  205.409   14.074 -6.532837 26.21424 
1 1 1  -13   -4   15 o  387.960   19.161  1903.06  185.630  1935.15  265.987  1872.58  259.187  387.705   27.655  381.463   27.391 6.242065 38.92365 
1 1 1  -13   -4   16 o  261.408   12.663  858.448   82.662  823.246  147.143  874.680   99.919  253.081   23.553  263.072   15.276 -9.990631 28.07269 
1 1 1  -13   -4   17 o  425.262   16.563  2284.12  175.898  2411.74  308.598  2222.71  214.078  431.158   28.828  418.240   20.497 12.91788 35.37224 
1 1 1  -13   -4   18 o  376.617   15.674  1790.83  147.413  1750.78  259.203  1809.97  179.217  366.740   28.527  377.160   19.091 -10.41986 34.32584 
1 1 1  -13   -4   19 o  379.975   15.986  1825.03  151.682  1705.79  266.731  1882.02  184.400  360.833   29.870  384.827   19.189 -23.99420 35.50272 
1 1 1  -13   -4   20 o  377.409   15.489  1800.13  145.976  1840.59  258.760  1781.25  176.795  375.747   27.774  373.836   19.001 1.911591 33.65154 
1 1 1  -13   -4   21 o  262.784   22.821  892.040  148.267   0.0000   0.0000  892.040  148.267  ?   ?   262.784   22.821 0.000000 22.82075 
1 1 1  -13   -4   22 o  279.927   15.434  994.067  107.468   0.0000   0.0000  994.067  107.468  ?   ?   279.927   15.434 0.000000 15.43358 
1 1 1  -13   -4   23 o  135.676   27.762  247.657   90.890  247.657   90.890   0.0000   0.0000  135.676   27.762  ?   ?  0.000000 27.76181 
1 1 1  -13   -4   24 o  236.511   12.943  707.309   76.152  587.274  143.667  754.212   89.806  210.513   28.026  243.781   14.822 -33.26813 31.70394 
1 1 1  -13   -4   25 o  187.734   12.733  446.381   59.343  387.977  120.083  465.252   68.260  169.804   29.383  191.310   14.394 -21.50575 32.71907 
1 1 1  -13   -4   26 o  162.740   14.714  337.879   59.150  466.974  112.313  288.328   69.582  188.432   24.444  149.092   19.130 39.33974 31.04030 
1 1 1  -13   -4   27 o  206.158   12.471  538.175   63.900  546.951  135.123  535.646   72.522  202.639   27.406  205.240   14.238 -2.600128 30.88371 
1 1 1  -13   -4   28 o  152.674   12.995  296.732   49.074  307.203  120.718  294.659   53.713  148.291   33.402  151.823   14.337 -3.532227 36.34864 
1 1 1  -13   -4   29 o  157.497   12.859  315.986   50.134  297.368  124.890  319.562   54.738  144.520   34.982  158.101   14.010 -13.58055 37.68269 
1 1 1  -13   -4   30 o  207.938   12.708  550.279   65.671  640.740  149.546  528.667   73.096  216.874   28.287  203.221   14.499 13.65399 31.78616 
1 1 1  -13   -4   31 o  150.974   19.380  300.997   71.379  259.972  137.514  316.127   83.510  131.011   39.076  153.408   22.465 -22.39760 45.07352 
1 1 1  -13   -4   32 o  354.606   14.758  1616.58  130.685  1704.66  254.816  1585.14  152.230  348.546   29.555  348.698   17.538 -0.1517639 34.36665 
1 1 1  -13   -4   33 o  165.492   12.308  352.099   50.499  488.418  143.227  332.747   53.965  181.054   32.890  160.344   13.606 20.71011 35.59313 
1 1 1  -13   -4   34 f   49.215   16.766   30.039   24.678  127.546  125.038   26.087   25.173   94.732   36.828   47.299   16.878 47.43361 40.51126 
1 1 1  -13   -4   35 o  133.666   13.415  233.808   44.173  280.374  143.965  228.968   46.411  125.397   40.422  131.843   14.327 -6.445961 42.88565 
1 1 1  -13   -4   36 o   59.972   23.102   40.531   48.852   97.399  143.439   33.069   51.958   87.791   37.355   58.526   23.431 29.26439 44.09547 
1 1 1  -13   -4   37 o  104.082   24.380  161.605   62.255   84.141  163.849  174.675   67.303   86.217   38.237  107.554   25.454 -21.33701 45.93504 
1 1 1  -13   -4   38 o  111.829   25.222  191.194   68.756   0.0000   0.0000  191.194   68.756  ?   ?   111.829   25.222 0.000000 25.22197 
1 1 1  -13   -4   39 o   76.952   25.258   92.501   56.085   0.0000   0.0000   92.501   56.085  ?   ?    76.952   25.258 0.000000 25.25850 
1 1 1  -13   -3    1 o  575.623   18.306  4155.70  263.131  4199.39  372.075  4111.99  372.173  577.367   25.806  571.271   26.089 6.095764 36.69592 
1 1 1  -13   -3    2 o  439.297   14.217  2416.14  155.963  2395.15  220.407  2437.20  220.722  436.777   20.208  440.612   20.060 -3.834869 28.47394 
1 1 1  -13   -3    3 o  997.976   30.374 12592.76  756.954 12483.46  1070.27 12702.14  1070.72  987.226   43.413  996.046   43.047 -8.819946 61.13760 
1 1 1  -13   -3    4 f  156.405   8.4770  306.642   32.985  314.617   46.655  298.672   46.642  158.136   11.902  154.020   12.227 4.115860 17.06343 
1 1 1  -13   -3    5 o  749.668   23.264  7071.79  435.520  7136.15  615.957  7007.43  615.878  750.185   32.880  743.283   33.181 6.901428 46.71267 
1 1 1  -13   -3    6 o  539.210   15.972  3644.09  215.058  3675.40  304.263  3612.83  304.013  540.505   22.542  535.852   22.719 4.652832 32.00510 
1 1 1  -13   -3    7 o  474.478   15.754  2821.88  186.667  2781.57  263.932  2862.22  264.040  470.135   22.481  476.953   22.169 -6.818420 31.57315 
1 1 1  -13   -3    8 o  266.418   15.113  892.425  100.132  873.163  138.756  913.357  144.645  262.606   21.344  268.549   21.756 -5.943420 30.47738 
1 1 1  -13   -3    9 f  346.457   14.755  1504.56  127.652  1635.14  156.463  1244.61  220.755  360.910   17.361  312.186   28.636 48.72348 33.48746 
1 1 1  -13   -3   10 o  618.798   19.322  4815.63  298.577  4851.14  422.414  4780.18  422.090  618.852   27.334  614.250   27.518 4.601929 38.78601 
1 1 1  -13   -3   11 o  724.040   26.207  6640.73  473.843  6737.42  822.221  6592.64  579.808  717.298   46.148  718.744   32.304 -1.446472 56.33087 
1 1 1  -13   -3   12 o  161.493   10.443  327.814   41.888  445.341   79.576  282.769   49.265  187.442   17.192  149.594   13.327 37.84804 21.75302 
1 1 1  -13   -3   13 o  522.183   18.705  3435.35  243.906  3881.95  425.699  3217.09  297.596  549.941   31.126  503.975   23.646 45.96582 39.08929 
1 1 1  -13   -3   14 o  283.049   12.806  1005.04   90.518  1046.66  160.365  985.582  109.656  286.587   22.591  279.522   15.774 7.064972 27.55326 
1 1 1  -13   -3   15 o  473.847   21.615  2845.51  255.761  3142.68  365.457  2560.27  358.058  493.898   29.770  444.292   32.498 49.60577 44.07260 
1 1 1  -13   -3   16 o  157.099   14.014  312.729   54.400  248.057   83.908  359.624   71.451  137.323   25.404  167.959   17.282 -30.63545 30.72549 
1 1 1  -13   -3   17 o  281.531   13.276  996.528   93.332  877.940  165.116  1052.21  113.142  260.621   25.705  288.463   15.766 -27.84149 30.15515 
1 1 1  -13   -3   18 o  482.804   18.457  2953.24  222.530  3021.93  388.798  2919.77  271.375  480.107   32.623  478.278   22.722 1.828461 39.75569 
1 1 1  -13   -3   19 o  264.955   13.054  883.436   86.370  797.232  154.612  922.540  104.134  247.859   25.336  269.890   15.516 -22.03070 29.70963 
1 1 1  -13   -3   20 o  234.877   12.808  696.332   74.842  584.787  135.900  744.888   89.664  211.423   26.310  242.504   14.878 -31.08083 30.22509 
1 1 1  -13   -3   21 o  280.065   13.231  988.084   92.536  993.929  168.433  985.558  110.747  276.909   24.615  278.703   15.979 -1.794189 29.34641 
1 1 1  -13   -3   22 o  226.435   22.025  662.285  122.963   0.0000   0.0000  662.285  122.963  ?   ?   226.435   22.025 0.000000 22.02473 
1 1 1  -13   -3   23 o  133.544   11.892  226.127   39.243  279.527   87.878  212.825   43.859  145.266   25.135  129.173   13.811 16.09248 28.67934 
1 1 1  -13   -3   24 o  110.466   13.814  156.312   37.272   76.862   83.469  176.100   41.656   83.501   30.604  117.199   14.546 -33.69780 33.88493 
1 1 1  -13   -3   25 f  242.018   13.074  740.716   78.724  687.390  148.865  761.419   92.755  228.631   26.570  244.836   15.247 -16.20551 30.63327 
1 1 1  -13   -3   26 o  255.574   13.373  826.631   85.051  760.131  162.506  851.719   99.813  239.853   27.637  258.840   15.514 -18.98720 31.69345 
1 1 1  -13   -3   27 o  320.627   17.188  1311.50  137.115  1500.76  210.402  1171.80  180.772  339.111   25.023  299.800   24.357 39.31140 34.91980 
1 1 1  -13   -3   28 o  275.963   13.526  962.912   93.211  1021.51  183.683  942.587  108.174  278.122   26.778  271.913   16.002 6.209106 31.19506 
1 1 1  -13   -3   29 o  159.878   12.306  324.690   48.753  427.882  125.265  306.268   52.927  177.497   29.282  154.899   13.828 22.59775 32.38334 
1 1 1  -13   -3   30 o  301.359   13.349  1151.62  100.462  1385.86  200.866  1073.48  116.014  323.578   25.054  289.528   16.110 34.05008 29.78632 
1 1 1  -13   -3   31 o   99.521   14.731  128.958   35.505  141.884  122.433  127.771   37.099  103.335   37.184   98.832   15.545 4.502274 40.30294 
1 1 1  -13   -3   32 o  218.077   12.137  606.221   65.835  875.403  160.325  551.625   72.203  253.830   25.645  207.277   14.032 46.55286 29.23312 
1 1 1  -13   -3   33 o  154.901   12.354  307.998   47.391  412.466  137.739  293.970   50.473  166.171   34.329  150.898   13.538 15.27211 36.90245 
1 1 1  -13   -3   34 o  186.946   12.349  449.529   57.325  573.268  157.455  430.621   61.550  195.013   33.542  182.385   13.612 12.62863 36.19897 
1 1 1  -13   -3   35 o  271.057   13.495  950.468   91.348  1097.58  205.356  914.178  101.994  271.202   30.873  263.948   15.543 7.253265 34.56448 
1 1 1  -13   -3   36 o   51.013   17.051   33.391   25.518   21.838  140.935   33.782   25.947   78.022   34.975   51.323   17.193 26.69930 38.97204 
1 1 1  -13   -3   37 o  212.962   13.110  592.266   69.383  690.634  191.289  577.364   74.453  198.428   39.986  209.372   14.326 -10.94403 42.47495 
1 1 1  -13   -3   38 o  153.842   12.677  310.460   48.267  616.695  185.335  288.179   49.992  181.077   41.829  147.581   13.722 33.49594 44.02246 
1 1 1  -13   -3   39 o  105.449   26.017  173.660   68.088   0.0000   0.0000  173.660   68.088  ?   ?   105.449   26.017 0.000000 26.01712 
1 1 1  -13   -3   40 o   42.251   19.391 -19.0406   46.551   0.0000   0.0000 -19.0406   46.551  ?   ?    42.251   19.391 0.000000 19.39070 
1 1 1  -13   -2    1 o  429.101   14.380  2305.36  154.087  2316.62  217.828  2294.09  217.995  429.558   20.307  427.451   20.423 2.106903 28.80011 
1 1 1  -13   -2    2 o  594.049   18.679  4426.90  277.100  4321.05  391.553  4533.09  392.205  585.462   26.782  599.781   26.186 -14.31897 37.45638 
1 1 1  -13   -2    3 o  579.633   18.488  4214.44  267.601  4207.75  378.375  4221.14  378.516  577.822   26.223  578.747   26.191 -0.9251709 37.06181 
1 1 1  -13   -2    4 o  758.339   23.417  7234.85  443.449  7198.90  626.995  7270.83  627.269  753.551   33.320  757.358   33.167 -3.807678 47.01305 
1 1 1  -13   -2    5 f  394.159   13.241  1944.65  130.331  1977.16  184.375  1912.19  184.257  396.962   18.600  390.353   18.902 6.608276 26.51869 
1 1 1  -13   -2    6 o  880.946   26.138  9786.74  574.995  9746.05  813.055  9827.46  813.277  874.675   37.224  878.390   37.077 -3.714172 52.53859 
1 1 1  -13   -2    7 o  430.914   14.580  2325.98  156.891  2417.85  222.015  2234.34  221.740  438.681   20.267  421.600   21.062 17.08072 29.22893 
1 1 1  -13   -2    8 o  507.705   23.612  3247.31  299.358  3462.17  422.384  3030.47  424.335  521.166   32.619  486.649   35.154 34.51700 47.95633 
1 1 1  -13   -2    9 o  511.005   23.309  3290.90  297.443  4082.64  421.040  2502.10  420.258  566.737   29.856  440.484   38.596 126.2525 48.79528 
1 1 1  -13   -2   10 o  866.073   25.453  9478.29  550.492  9384.00  778.415  9572.63  778.612  856.446   36.397  865.215   36.037 -8.769470 51.21879 
1 1 1  -13   -2   11 o  838.286   25.913  8893.17  542.461  9204.08  767.564  8582.92  766.749  847.391   36.273  817.535   37.557 29.85638 52.21373 
1 1 1  -13   -2   12 o  589.002   21.475  4375.81  315.866  4519.37  548.964  4304.75  386.201  591.506   37.357  582.651   26.543 8.855652 45.82665 
1 1 1  -13   -2   13 o  489.324   18.011  3013.28  220.085  3303.08  384.072  2871.60  268.549  507.782   30.429  476.617   22.563 31.16489 37.88197 
1 1 1  -13   -2   14 o  611.529   22.455  4733.01  342.908  4934.96  596.140  4633.14  419.202  615.064   39.015  602.866   27.845 12.19775 47.93258 
1 1 1  -13   -2   15 o  520.063   18.828  3413.16  244.512  3793.98  426.622  3226.88  298.381  542.256   31.643  504.112   23.702 38.14328 39.53593 
1 1 1  -13   -2   16 o  567.635   25.963  4114.48  368.028  4219.08  523.362  4012.16  517.626  567.206   37.155  552.657   37.732 14.54895 52.95486 
1 1 1  -13   -2   17 o   97.667   12.907  121.887   30.709  100.067   62.684  128.778   35.225   87.881   26.421  100.151   14.507 -12.26936 30.14210 
1 1 1  -13   -2   18 f  525.799   19.867  3507.75  260.851  3532.46  454.758  3495.64  318.448  517.755   35.385  522.782   24.393 -5.027588 42.97792 
1 1 1  -13   -2   19 o  313.529   13.531  1237.31  105.936  1344.60  189.211  1188.32  127.853  323.405   23.591  306.155   16.787 17.25018 28.95454 
1 1 1  -13   -2   20 o  232.155   12.554  679.851   72.509  626.300  132.509  702.739   86.630  219.625   24.582  235.581   14.801 -15.95593 28.69428 
1 1 1  -13   -2   21 f  437.635   20.854  2442.46  227.909   0.0000   0.0000  2442.46  227.909  ?   ?   437.635   20.854 0.000000 20.85444 
1 1 1  -13   -2   23 o  167.711   12.334  355.882   51.291  328.632  103.086  364.847   59.130  157.173   27.253  169.484   14.099 -12.31129 30.68356 
1 1 1  -13   -2   24 o  131.324   12.575  219.119   40.733  175.904   88.648  230.685   45.861  113.842   30.547  134.536   13.849 -20.69299 33.53979 
1 1 1  -13   -2   25 o  198.939   11.804  499.726   58.377  580.886  118.027  473.442   67.168  211.547   22.697  193.170   14.020 18.37709 26.67762 
1 1 1  -13   -2   26 o  168.711   12.477  360.532   52.193  287.034  111.430  381.189   59.074  144.911   31.677  173.240   13.769 -28.32913 34.53981 
1 1 1  -13   -2   27 o  285.507   13.877  1029.83   98.940  1021.96  185.475  1032.96  116.973  278.798   26.978  284.794   16.519 -5.996521 31.63349 
1 1 1  -13   -2   28 o  296.537   16.348  1120.30  120.591   0.0000   0.0000  1120.30  120.591  ?   ?   296.537   16.348 0.000000 16.34800 
1 1 1  -13   -2   29 o  291.237   13.096  1071.97   95.243  1269.77  188.685  1004.34  110.331  311.498   24.453  280.709   15.804 30.78915 29.11556 
1 1 1  -13   -2   30 o  269.768   13.023  921.011   87.734  1095.18  178.635  865.644  100.718  288.067   25.083  260.353   15.563 27.71436 29.51878 
1 1 1  -13   -2   31 o   95.161   15.342  118.261   35.219  129.912  111.617  116.973   37.115  100.002   35.555   94.369   16.341 5.633514 39.13020 
1 1 1  -13   -2   32 o   56.539   23.391   16.213   53.852   0.0000   0.0000   16.213   53.852  ?   ?    56.539   23.391 0.000000 23.39089 
1 1 1  -13   -2   33 o   92.757   15.125  113.206   33.827  270.471  122.850  100.303   35.188  133.809   35.984   86.689   16.862 47.11977 39.73850 
1 1 1  -13   -2   34 o  128.162   13.367  212.810   42.150  218.008  135.521  212.253   44.350  117.423   39.293  127.719   14.143 -10.29577 41.76050 
1 1 1  -13   -2   35 f   78.942   16.517   84.342   31.514  178.421  132.476   78.699   32.445  106.357   38.620   75.930   17.474 30.42738 42.38905 
1 1 1  -13   -2   36 o  140.576   12.981  257.239   45.053  553.780  155.135  229.925   47.083  187.810   34.344  132.176   14.503 55.63428 37.28037 
1 1 1  -13   -2   37 o  157.210   13.168  322.808   51.219  471.084  170.495  308.099   53.700  161.445   41.919  153.012   14.216 8.433044 44.26412 
1 1 1  -13   -2   38 o   91.972   15.606  114.661   34.560   51.337  160.383  117.744   35.392   82.798   37.199   93.148   15.778 -10.34986 40.40690 
1 1 1  -13   -2   39 o  162.526   13.079  347.935   52.631  443.037  189.253  339.963   54.793  140.990   46.405  160.151   13.837 -19.16142 48.42355 
1 1 1  -13   -2   40 o   49.141   21.668   1.5087   51.868   0.0000   0.0000   1.5087   51.868  ?   ?    49.141   21.668 0.000000 21.66758 
1 1 1  -13   -1    1 o  666.405   19.479  5573.30  324.158  5362.23  457.969  5785.23  458.889  651.865   28.134  677.339   27.130 -25.47406 39.08389 
1 1 1  -13   -1    2 o  325.320   11.770  1323.90   95.618  1338.09  135.090  1309.64  135.357  326.336   16.632  322.813   16.850 3.523590 23.67573 
1 1 1  -13   -1    3 o  564.912   17.887  4001.93  252.331  3827.34  356.422  4177.35  357.278  551.144   25.897  576.003   24.839 -24.85864 35.88341 
1 1 1  -13   -1    4 o  834.594   25.683  8776.21  535.277  8734.82  756.860  8817.64  757.131  828.792   36.570  832.778   36.408 -3.986694 51.60271 
1 1 1  -13   -1    5 f  258.339   9.8367  834.432   63.459  808.433   89.449  860.776   90.042  253.704   14.176  261.849   13.819 -8.145859 19.79690 
1 1 1  -13   -1    6 o  623.206   19.670  4876.52  306.117  4867.54  432.801  4885.50  433.029  620.883   27.914  622.036   27.877 -1.153198 39.45070 
1 1 1  -13   -1    7 o  493.865   15.216  3055.93  187.649  3110.99  265.395  3000.90  265.358  497.457   21.364  488.515   21.752 8.942200 30.48911 
1 1 1  -13   -1    8 o  270.103   15.251  917.141  102.448  899.438  142.338  936.171  147.571  266.566   21.568  271.931   21.918 -5.365051 30.74988 
1 1 1  -13   -1    9 o  769.890   34.115  7545.25  655.872  7774.89  926.774  7314.85  928.313  772.824   48.264  748.442   49.956 24.38190 69.46217 
1 1 1  -13   -1   10 o  892.690   27.502 10085.78  613.084 10222.64  867.160  9949.00  866.905  892.733   38.898  880.380   39.432 12.35284 55.38905 
1 1 1  -13   -1   11 o  284.326   10.984  1011.76   77.987  1092.75  110.539  931.488  110.043  294.803   15.066  271.953   16.279 22.84964 22.18035 
1 1 1  -13   -1   12 o  495.614   15.390  3082.41  190.476  3090.79  269.480  3074.03  269.267  495.041   21.799  493.687   21.841 1.354309 30.85840 
1 1 1  -13   -1   13 o  765.929   23.893  7422.54  457.000  7625.12  646.536  7220.25  646.055  771.385   33.564  750.088   34.491 21.29706 48.12650 
1 1 1  -13   -1   14 o  209.159   11.590  549.787   60.297  590.634  108.909  531.732   72.407  215.388   20.496  205.348   14.207 10.04024 24.93837 
1 1 1  -13   -1   15 o  433.884   16.545  2368.99  179.264  2606.40  313.773  2253.95  218.421  451.037   27.996  422.286   20.713 28.75110 34.82555 
1 1 1  -13   -1   16 o  508.838   19.266  3271.21  244.803  3359.57  426.363  3227.76  299.000  508.523   33.767  503.907   23.761 4.615723 41.28952 
1 1 1  -13   -1   17 o  168.815   14.002  360.717   58.495  305.844   89.288  401.977   77.425  153.189   24.140  177.592   17.694 -24.40340 29.93020 
1 1 1  -13   -1   18 o  377.515   15.722  1796.67  148.212  1641.04  259.073  1872.38  180.704  355.461   29.452  384.592   18.816 -29.13165 34.94892 
1 1 1  -13   -1   19 o  417.035   16.750  2197.39  174.437  2181.25  305.695  2205.18  212.414  409.180   30.129  416.585   20.419 -7.404816 36.39645 
1 1 1  -13   -1   20 o  243.780   12.279  748.939   74.509  725.958  135.000  759.006   89.350  237.245   23.079  244.936   14.676 -7.691360 27.34993 
1 1 1  -13   -1   21 o  374.605   19.448  1788.13  181.306  1791.38  257.873  1784.96  254.962  370.971   28.044  370.449   27.763 0.5221252 39.46187 
1 1 1  -13   -1   22 o  316.314   14.068  1261.52  111.121  1258.21  198.918  1263.02  133.974  311.381   25.815  315.337   17.077 -3.955994 30.95204 
1 1 1  -13   -1   23 o  324.293   25.569  1364.68  205.387   0.0000   0.0000  1364.68  205.387  ?   ?   324.293   25.569 0.000000 25.56944 
1 1 1  -13   -1   24 o  460.067   18.056  2688.40  207.437  2627.24  365.569  2717.44  251.923  444.943   33.139  460.710   21.897 -15.76624 39.71995 
1 1 1  -13   -1   25 o  144.443   12.652  264.726   45.174  199.391   97.035  282.805   51.043  120.897   31.738  149.097   13.868 -28.19981 34.63541 
1 1 1  -13   -1   26 o  246.026   13.203  765.318   80.820  739.425  153.433  775.261   95.080  237.480   26.315  247.048   15.490 -9.567612 30.53572 
1 1 1  -13   -1   27 o  157.262   12.562  313.597   48.923  333.711  107.841  308.384   54.897  157.667   28.436  155.592   14.289 2.075012 31.82435 
1 1 1  -13   -1   28 o  296.811   17.384  1124.25  128.286  1122.99  197.073  1125.18  168.994  292.089   27.336  294.496   23.167 -2.407074 35.83252 
1 1 1  -13   -1   29 o  118.705   13.671  180.396   39.784  182.898  104.507  179.972   43.024  115.263   33.989  118.293   14.895 -3.029671 37.10973 
1 1 1  -13   -1   30 o  311.271   13.916  1227.17  108.173  1391.65  210.061  1167.81  126.191  324.833   26.117  302.241   16.786 22.59186 31.04587 
1 1 1  -13   -1   31 o  342.105   15.030  1489.39  128.404  1488.32  244.160  1489.79  150.967  331.932   29.773  340.427   17.821 -8.494934 34.69834 
1 1 1  -13   -1   32 o  130.343   13.193  217.901   42.352  310.445  124.998  205.899   45.014  146.578   34.689  126.308   14.537 20.27048 37.61183 
1 1 1  -13   -1   33 o  240.858   23.606  777.821  140.157   0.0000   0.0000  777.821  140.157  ?   ?   240.858   23.606 0.000000 23.60592 
1 1 1  -13   -1   34 o  136.385   13.279  240.044   44.651  239.125  136.771  240.154   47.240  123.645   39.351  136.138   14.100 -12.49366 41.80064 
1 1 1  -13   -1   35 o  180.910   13.196  422.421   59.204  465.216  155.512  415.167   64.025  172.330   37.225  178.760   14.467 -6.429443 39.93738 
1 1 1  -13   -1   36 o  152.632   12.824  301.888   48.427  593.428  154.904  270.307   50.983  197.898   32.472  143.691   14.402 54.20737 35.52225 
1 1 1  -13   -1   37 o  119.061   17.184  191.210   49.611  332.328  151.635  174.294   52.501  136.412   41.112  112.477   19.392 23.93488 45.45641 
1 1 1  -13   -1   38 o  131.674   14.197  228.998   45.944  110.248  165.783  238.878   47.817   92.000   39.671  134.368   14.480 -42.36805 42.23063 
1 1 1  -13   -1   39 o  163.649   13.414  352.312   54.334  292.018  183.384  358.115   56.889  116.991   44.836  164.650   13.968 -47.65848 46.96101 
1 1 1  -13   -1   40 o  108.373   14.673  158.366   38.688   86.721  189.277  161.490   39.522   86.336   39.427  109.352   14.858 -23.01637 42.13353 
1 1 1  -13   -1   41 o   75.552   26.779   88.996   63.274   0.0000   0.0000   88.996   63.274  ?   ?    75.552   26.779 0.000000 26.77950 
1 1 1  -13    0    1 o  300.349   11.312  1128.32   84.840  1123.52  119.607  1133.19  120.361  299.014   16.077  300.299   16.109 -1.284912 22.75916 
1 1 1  -13    0    2 o  365.177   11.697  1668.17  106.667  1554.02  150.363  1783.81  151.341  352.087   17.102  377.310   16.062 -25.22247 23.46198 
1 1 1  -13    0    3 o  996.911   30.061 12563.10  748.355 12167.72  1057.73 12959.39  1058.94  974.600   43.461  1006.58   42.128 -31.97516 60.52795 
1 1 1  -13    0    4 o  372.270   12.911  1734.37  120.025  1686.11  169.447  1782.97  170.036  366.135   18.594  377.034   18.060 -10.89899 25.92072 
1 1 1  -13    0    5 o  220.658   9.9151  608.787   54.635  602.651   76.913  615.036   77.623  218.934   14.144  221.184   14.127 -2.249817 19.99060 
1 1 1  -13    0    6 o  243.938   10.295  744.125   62.713  733.362   88.332  755.064   89.053  241.530   14.715  245.102   14.616 -3.571182 20.74059 
1 1 1  -13    0    7 o  255.944   10.454  819.254   66.816  842.700   94.412  795.729   94.572  258.966   14.660  251.568   15.125 7.397537 21.06307 
1 1 1  -13    0    8 o  406.939   15.692  2075.63  159.460  1819.60  273.846  2206.98  196.143  378.145   29.227  419.275   18.734 -41.13013 34.71542 
1 1 1  -13    0    9 o  469.094   22.039  2769.62  258.171  2805.85  363.515  2732.74  366.723  469.296   31.197  462.897   31.920 6.399170 44.63316 
1 1 1  -13    0   10 o  562.383   20.854  3979.41  292.872  4233.66  358.934  3472.94  506.591  579.150   24.818  518.945   39.386 60.20471 46.55287 
1 1 1  -13    0   11 o  362.832   12.920  1648.97  117.063  1766.77  165.855  1532.03  165.251  375.045   17.709  348.571   19.057 26.47452 26.01483 
1 1 1  -13    0   12 o  675.153   20.830  5742.60  351.188  5796.09  496.738  5689.14  496.572  675.291   29.457  668.923   29.727 6.367981 41.84991 
1 1 1  -13    0   13 o  510.999   16.735  3281.01  213.552  3345.23  302.044  3216.82  301.973  514.399   23.514  504.305   23.979 10.09338 33.58368 
1 1 1  -13    0   14 o  338.944   12.677  1440.18  107.302  1570.94  152.085  1310.56  151.414  353.401   17.233  322.005   18.913 31.39545 25.58695 
1 1 1  -13    0   15 o  415.383   16.800  2171.13  174.269  1912.46  303.247  2298.68  212.944  384.820   31.843  426.728   19.983 -41.90741 37.59352 
1 1 1  -13    0   16 o  434.348   17.350  2377.33  188.190  2190.86  327.529  2469.23  229.934  411.281   32.146  441.768   20.843 -30.48694 38.31179 
1 1 1  -13    0   17 o  580.687   26.873  4313.81  389.681  4166.43  553.284  4458.86  548.928  561.592   39.709  582.413   37.950 -20.82117 54.92707 
1 1 1  -13    0   18 o  225.348   11.605  638.926   65.082  676.014  117.207  622.394   78.254  229.976   20.628  221.986   14.191 7.990036 25.03814 
1 1 1  -13    0   19 o  258.812   13.089  844.317   84.318  782.649  150.537  872.508  101.782  246.128   24.832  262.596   15.591 -16.46768 29.32081 
1 1 1  -13    0   20 o  313.968   16.809  1249.46  131.307   0.0000   0.0000  1249.46  131.307  ?   ?   313.968   16.809 0.000000 16.80850 
1 1 1  -13    0   21 o  187.134   11.805  441.766   54.882  516.703  103.852  412.729   64.646  200.350   21.073  180.379   14.474 19.97173 25.56508 
1 1 1  -13    0   22 o  163.616   11.725  338.155   47.589  333.243   92.541  339.921   55.489  159.560   23.966  163.702   13.700 -4.141830 27.60497 
1 1 1  -13    0   23 o  122.289   13.005  190.367   39.106   95.161   81.116  219.195   44.636   88.467   30.392  131.164   13.836 -42.69734 33.39341 
1 1 1  -13    0   24 o  319.826   25.333  1326.74  200.669   0.0000   0.0000  1326.74  200.669  ?   ?   319.826   25.333 0.000000 25.33287 
1 1 1  -13    0   25 o  186.394   12.211  439.041   56.522  450.184  113.666  435.380   65.148  185.268   25.224  185.224   14.193 0.4373169E-01 28.94302 
1 1 1  -13    0   26 o  209.161   12.772  553.103   66.388  500.819  128.678  572.068   77.499  194.735   27.204  212.307   14.708 -17.57271 30.92550 
1 1 1  -13    0   27 o  433.770   16.261  2384.65  176.142  2566.39  315.851  2302.62  212.204  442.279   28.754  424.627   20.012 17.65222 35.03270 
1 1 1  -13    0   28 o  287.582   13.759  1044.31   98.813  976.686  185.727  1071.02  116.701  272.299   27.699  290.189   16.169 -17.89041 32.07288 
1 1 1  -13    0   29 o  117.594   15.708  178.312   44.974  290.047  104.558  152.946   49.818  146.065   29.678  107.913   19.190 38.15195 35.34150 
1 1 1  -13    0   30 o  252.348   12.806  806.181   80.433  901.582  164.632  776.270   92.183  261.775   25.509  246.974   15.018 14.80083 29.60144 
1 1 1  -13    0   31 f  271.627   13.219  933.902   89.665  1102.00  182.059  880.071  103.027  288.828   25.504  262.478   15.792 26.34991 29.99714 
1 1 1  -13    0   32 o  108.578   14.087  152.234   37.295  273.227  119.841  139.260   39.243  137.925   34.796  103.356   15.698 34.56918 38.17374 
1 1 1  -13    0   33 o  173.851   12.819  386.053   55.258  457.883  141.671  373.164   60.012  179.360   32.841  170.466   14.228 8.893768 35.79022 
1 1 1  -13    0   34 o  120.176   26.212  202.363   76.448   0.0000   0.0000  202.363   76.448  ?   ?   120.176   26.212 0.000000 26.21200 
1 1 1  -13    0   35 o   74.553   16.653   74.926   30.220   22.051  126.477   78.127   31.121   78.649   34.278   76.113   16.822 2.535446 38.18292 
1 1 1  -13    0   36 o   96.253   15.361  123.063   35.681  113.373  136.162  123.777   36.973   93.945   37.817   96.332   15.926 -2.386620 41.03357 
1 1 1  -13    0   37 o  159.250   13.078  329.419   51.547  492.749  166.058  312.003   54.226  171.583   39.565  154.413   14.223 17.16936 42.04340 
1 1 1  -13    0   38 o  166.324   18.511  374.977   75.581  141.399  173.948  429.337   83.916   98.100   41.410  177.535   19.236 -79.43410 45.65949 
1 1 1  -13    0   39 o   86.347   16.327  101.848   33.915  170.273  185.693   99.487   34.495  100.328   42.591   85.106   16.827 15.22223 45.79467 
1 1 1  -13    0   40 o  136.827   13.487  247.549   45.485  526.551  194.648  231.434   46.780  157.768   46.348  131.721   14.460 26.04721 48.55137 
1 1 1  -13    0   41 o   62.081   18.082   54.612   29.740 -10.1062  192.137   56.201   30.103   77.195   36.681   62.913   18.154 14.28254 40.92787 
1 1 1  -13    1    1 o  241.192   10.325  727.440   62.187  709.369   87.556  745.838   88.341  237.529   14.835  243.608   14.589 -6.079147 20.80693 
1 1 1  -13    1    2 o  246.652   10.069  760.688   62.018  718.556   87.170  803.875   88.254  239.087   14.671  253.003   14.024 -13.91524 20.29540 
1 1 1  -13    1    3 o  229.635   9.8325  659.306   56.383  643.962   79.235  675.045   80.251  226.352   14.088  231.787   13.929 -5.435013 19.81137 
1 1 1  -13    1    4 o  431.959   14.521  2336.67  156.637  2286.16  221.160  2387.51  221.879  426.604   20.760  436.005   20.379 -9.401184 29.09073 
1 1 1  -13    1    5 o  342.248   11.921  1465.50  101.883  1386.30  143.644  1545.67  144.528  332.043   17.384  351.160   16.481 -19.11710 23.95513 
1 1 1  -13    1    6 o  712.055   21.596  6373.88  384.006  6317.20  542.890  6430.64  543.243  706.417   30.775  712.812   30.519 -6.395325 43.34174 
1 1 1  -13    1    7 o  268.918   10.156  904.347   68.201  902.284   96.184  906.434   96.719  268.014   14.424  268.626   14.472 -0.6120300 20.43261 
1 1 1  -13    1    8 o  443.070   20.518  2467.34  227.014  2249.95  318.690  2691.27  323.455  420.361   30.569  460.552   28.261 -40.19113 41.63108 
1 1 1  -13    1    9 o  636.308   28.645  5124.06  455.163  5347.41  642.819  4899.50  644.580  644.745   40.124  616.112   42.149 28.63336 58.19330 
1 1 1  -13    1   10 o  446.781   21.444  2512.56  239.250  2897.09  337.622  2124.69  339.084  477.489   28.444  407.163   33.651 70.32596 44.06189 
1 1 1  -13    1   11 o  408.050   13.921  2086.58  141.857  2141.16  200.651  2032.04  200.580  412.633   19.473  401.905   19.985 10.72803 27.90351 
1 1 1  -13    1   12 o  792.922   24.503  7946.33  485.180  8268.72  686.495  7624.59  685.802  804.259   34.181  771.541   35.595 32.71844 49.34953 
1 1 1  -13    1   13 o  433.956   14.584  2362.43  158.043  2416.65  223.566  2308.27  223.448  437.915   20.444  427.891   20.912 10.02399 29.24483 
1 1 1  -13    1   14 o  202.782   8.9991  514.440   45.570  520.570   64.315  508.259   64.578  203.393   12.727  200.938   12.939 2.455292 18.14869 
1 1 1  -13    1   15 o  578.047   18.673  4211.06  269.542  4269.99  381.194  4152.14  381.186  579.422   26.345  571.220   26.723 8.202698 37.52564 
1 1 1  -13    1   16 o  453.188   15.397  2582.44  174.246  2698.79  246.716  2466.65  246.128  461.781   21.395  440.634   22.443 21.14758 31.00664 
1 1 1  -13    1   17 o  255.920   12.038  821.674   76.932  945.717  137.958  765.691   92.680  272.613   20.413  246.253   15.145 26.36078 25.41790 
1 1 1  -13    1   18 f  305.752   16.315  1181.77  124.119  1270.64  180.799  1102.56  170.698  315.160   23.135  293.348   23.499 21.81152 32.97615 
1 1 1  -13    1   19 o  244.497   13.025  753.495   79.239  634.570  142.138  807.120   95.446  221.016   26.268  252.650   15.199 -31.63484 30.34819 
1 1 1  -13    1   20 o  213.102   22.548  585.286  118.170  585.286  118.170   0.0000   0.0000  213.102   22.548  ?   ?  0.000000 22.54837 
1 1 1  -13    1   21 o  226.520   11.987  646.576   67.565  658.655  124.296  641.509   80.496  226.141   22.301  225.176   14.391 0.9650726 26.54067 
1 1 1  -13    1   22 o  229.942   12.470  666.904   71.336  620.773  130.081  686.745   85.309  218.759   24.218  232.885   14.745 -14.12654 28.35399 
1 1 1  -13    1   23 f  217.032   11.881  593.904   64.149  635.505  121.442  577.805   75.548  221.926   22.212  213.605   14.245 8.321030 26.38709 
1 1 1  -13    1   24 o  259.830   12.967  850.080   84.132  855.117  157.579  848.072   99.501  256.632   24.902  258.617   15.478 -1.985077 29.32058 
1 1 1  -13    1   25 f  287.510   24.224  1070.17  172.297   0.0000   0.0000  1070.17  172.297  ?   ?   287.510   24.224 0.000000 24.22367 
1 1 1  -13    1   26 o  128.283   12.580  209.139   39.780  268.670   92.990  195.804   44.010  141.766   27.257  123.718   14.521 18.04881 30.88398 
1 1 1  -13    1   27 o  434.229   16.653  2390.30  180.579  2597.45  323.665  2296.68  217.593  444.862   29.299  423.972   20.552 20.88937 35.78889 
1 1 1  -13    1   28 o  220.859   13.150  617.241   72.197  554.210  143.753  638.503   83.491  204.043   29.031  224.202   14.999 -20.15872 32.67705 
1 1 1  -13    1   29 o  221.922   12.884  623.174   71.096  659.374  145.241  611.766   81.531  223.699   26.516  219.367   14.973 4.332138 30.45165 
1 1 1  -13    1   30 o  330.685   18.043  1398.59  148.431  1504.42  227.737  1320.43  195.711  338.013   27.211  317.926   24.849 20.08685 36.84964 
1 1 1  -13    1   31 o  172.358   12.910  377.501   55.161  387.219  128.644  375.312   61.059  167.674   31.889  171.494   14.391 -3.819839 34.98577 
1 1 1  -13    1   32 o  198.191   12.894  499.384   63.468  422.958  142.815  518.193   70.849  173.303   34.215  201.535   14.168 -28.23241 37.03199 
1 1 1  -13    1   33 o  106.391   14.461  146.739   37.424  248.355  122.335  136.248   39.308  130.392   36.257  102.049   15.947 28.34329 39.60870 
1 1 1  -13    1   34 o  235.764   12.849  709.502   75.364  1002.86  173.641  641.415   83.653  271.934   25.883  223.203   15.097 48.73048 29.96398 
1 1 1  -13    1   35 o  232.386   23.935  733.692  136.909   0.0000   0.0000  733.692  136.909  ?   ?   232.386   23.935 0.000000 23.93480 
1 1 1  -13    1   36 f  117.866   14.043  181.293   40.519  -0.0233  132.482  200.004   42.559   76.386   34.098  123.886   14.002 -47.49995 36.86159 
1 1 1  -13    1   37 o  118.279   14.428  183.796   41.732  288.050  150.397  175.100   43.438  129.232   41.279  114.968   15.527 14.26485 44.10263 
1 1 1  -13    1   38 o  107.709   14.905  153.961   39.014   83.635  153.976  158.786   40.331   89.117   38.330  109.290   15.188 -20.17255 41.22937 
1 1 1  -13    1   39 o   55.845   18.338   41.181   29.559  254.201  157.315   33.385   30.095  116.672   42.128   52.141   18.470 64.53090 45.99888 
1 1 1  -13    1   40 o  162.061   14.123  346.983   56.583  265.244  190.973  354.849   59.243  112.677   44.987  163.556   14.661 -50.87897 47.31523 
1 1 1  -13    1   41 o   71.733   17.496   72.502   31.060   0.0000   0.0000   72.502   31.060  ?   ?    71.733   17.496 0.000000 17.49600 
1 1 1  -13    2    1 o  411.848   13.484  2123.49  138.680  2158.03  196.117  2088.94  196.129  414.649   18.940  407.922   19.254 6.727417 27.00808 
1 1 1  -13    2    2 o  308.483   10.946  1190.25   84.321  1134.83  118.754  1246.60  119.748  300.513   15.881  315.448   15.202 -14.93521 21.98405 
1 1 1  -13    2    3 o  321.382   11.781  1292.21   94.546  1254.55  133.305  1330.34  134.117  315.875   16.962  325.353   16.562 -9.478699 23.70664 
1 1 1  -13    2    4 o  326.538   11.410  1333.85   93.043  1263.17  131.094  1405.60  132.076  317.003   16.618  334.915   15.792 -17.91248 22.92493 
1 1 1  -13    2    5 f  240.925   9.6686  725.740   58.169  705.827   81.721  746.192   82.818  237.023   13.867  243.750   13.661 -6.727234 19.46596 
1 1 1  -13    2    6 o  559.641   17.843  3929.20  249.365  3954.04  352.569  3904.32  352.741  560.088   25.208  556.519   25.382 3.569153 35.77262 
1 1 1  -13    2    7 o  567.282   17.941  4037.99  254.160  3839.13  359.016  4237.79  359.858  551.629   26.063  579.835   24.853 -28.20563 36.01278 
1 1 1  -13    2    8 o  263.603   14.945  873.462   97.974  815.114  135.414  937.559  141.928  253.666   21.582  272.268   21.038 -18.60211 30.13949 
1 1 1  -13    2    9 o  709.380   31.167  6385.41  552.106  6035.39  778.667  6739.28  782.941  681.886   45.998  722.062   43.626 -40.17615 63.39576 
1 1 1  -13    2   10 o  520.930   19.694  3411.64  256.197  3574.83  313.854  3085.73  443.526  532.448   23.605  490.099   36.501 42.34933 43.46872 
1 1 1  -13    2   11 o  304.972   11.095  1164.00   84.499  1170.00  119.229  1157.94  119.771  305.002   15.707  303.401   15.863 1.601471 22.32421 
1 1 1  -13    2   12 o  445.776   14.744  2492.14  164.130  2564.12  232.170  2420.23  232.059  451.222   20.605  438.267   21.204 12.95459 29.56590 
1 1 1  -13    2   13 o  468.378   15.685  2754.01  183.461  2841.49  259.564  2666.69  259.343  474.542   21.904  459.559   22.599 14.98352 31.47184 
1 1 1  -13    2   14 o  153.609   9.1260  296.244   34.849  315.138   49.418  277.553   49.151  158.067   12.625  148.173   13.429 9.894241 18.43209 
1 1 1  -13    2   15 o  415.674   13.637  2167.98  141.557  2229.97  200.157  2105.94  200.227  420.597   19.057  408.616   19.623 11.98108 27.35351 
1 1 1  -13    2   16 o  326.631   12.202  1337.89   99.525  1424.21  140.933  1252.00  140.568  336.357   16.779  314.683   17.963 21.67441 24.58008 
1 1 1  -13    2   17 o  283.776   11.808  1009.99   83.680  1029.84  118.329  990.139  118.353  285.443   16.673  279.797   17.020 5.646332 23.82564 
1 1 1  -13    2   18 o  497.276   22.775  3144.34  282.816  3401.16  403.844  2897.17  396.191  511.974   31.744  471.126   33.902 40.84830 46.44407 
1 1 1  -13    2   19 f  198.470   14.421  498.332   70.984  491.635  109.936  503.120   92.959  195.183   22.997  198.488   18.986 -3.305527 29.82144 
1 1 1  -13    2   20 o  117.622   12.442  175.759   35.992  166.954   72.051  178.687   41.547  111.885   26.242  118.277   14.361 -6.391479 29.91447 
1 1 1  -13    2   21 o  116.596   12.471  172.810   35.747  159.006   74.235  176.978   40.788  108.990   27.326  117.713   14.160 -8.723228 30.77698 
1 1 1  -13    2   22 o  504.174   18.814  3225.47  236.872  3493.65  415.258  3096.12  288.392  515.793   32.404  491.769   23.484 24.02377 40.01931 
1 1 1  -13    2   23 o  346.647   14.922  1516.31  129.171  1530.16  229.961  1509.93  156.129  343.174   27.054  344.574   18.209 -1.400940 32.61106 
1 1 1  -13    2   24 o  337.929   14.321  1440.27  120.849  1531.32  217.597  1399.65  145.321  343.869   25.522  331.840   17.600 12.02890 31.00218 
1 1 1  -13    2   25 o  158.925   22.458  329.241   86.643   0.0000   0.0000  329.241   86.643  ?   ?   158.925   22.458 0.000000 22.45761 
1 1 1  -13    2   26 f  263.702   12.121  874.885   79.816  1032.70  153.423  816.323   93.459  283.318   21.854  253.834   14.808 29.48399 26.39880 
1 1 1  -13    2   27 o  149.000   12.604  281.509   46.459  290.957  102.066  279.040   52.178  147.141   28.809  148.018   14.294 -0.8769989 32.16012 
1 1 1  -13    2   28 o  372.057   15.403  1751.37  143.111  1797.12  259.824  1731.44  171.465  370.217   28.319  368.346   18.702 1.870941 33.93741 
1 1 1  -13    2   29 o  126.389   13.912  204.074   43.183  143.074  107.962  215.691   47.116  105.028   35.071  129.790   14.802 -24.76291 38.06668 
1 1 1  -13    2   30 o  369.768   16.647  1737.07  153.712  1517.19  278.055  1833.85  184.461  335.477   33.644  378.207   19.598 -42.72983 38.93605 
1 1 1  -13    2   31 o  327.193   17.357  1368.36  141.309  1622.15  221.663  1194.60  183.411  351.815   25.401  302.173   24.518 49.64191 35.30370 
1 1 1  -13    2   32 o  245.452   13.035  764.449   79.613  833.742  168.808  744.628   90.284  249.766   27.522  241.604   15.039 8.162796 31.36277 
1 1 1  -13    2   33 o  172.719   13.281  380.705   56.844  403.842  138.441  376.013   62.342  168.676   34.041  171.224   14.723 -2.548019 37.08833 
1 1 1  -13    2   34 o  191.306   12.899  467.266   61.263  518.909  148.848  456.734   67.220  191.463   32.280  188.625   14.379 2.837997 35.33800 
1 1 1  -13    2   35 o  225.830   13.712  654.427   76.960  573.394  173.219  674.357   85.905  196.098   36.722  228.588   15.135 -32.48972 39.71900 
1 1 1  -13    2   36 o  187.069   23.967  480.513  109.386   0.0000   0.0000  480.513  109.386  ?   ?   187.069   23.967 0.000000 23.96686 
1 1 1  -13    2   37 f  229.395   13.153  678.936   75.032  908.344  187.567  635.232   81.868  248.836   30.846  220.840   14.933 27.99605 34.27082 
1 1 1  -13    2   38 o  161.034   12.786  336.068   50.992  521.096  165.661  316.703   53.594  178.462   38.317  155.772   13.924 22.69002 40.76910 
1 1 1  -13    2   39 o  161.033   12.956  337.455   51.660  398.684  174.241  331.554   54.092  145.864   44.095  159.213   13.740 -13.34886 46.18613 
1 1 1  -13    2   40 o  154.119   17.316  321.076   65.490  414.877  186.786  307.928   69.929  142.662   46.048  149.666   19.150 -7.004181 49.87122 
1 1 1  -13    2   41 o   78.426   36.651  -3.9521  177.942  -3.9521  177.942   0.0000   0.0000   78.426   36.651  ?   ?  0.000000 36.65126 
1 1 1  -13    2   42 o   58.241   18.231   47.282   29.467  183.483  200.988   44.290   29.789   96.038   42.483   56.715   18.398 39.32372 46.29591 
1 1 1  -13    3    1 o  534.562   17.259  3584.36  230.391  3573.79  325.573  3594.95  326.073  532.540   24.482  534.121   24.447 -1.581116 34.59794 
1 1 1  -13    3    2 o  411.761   13.215  2122.58  135.887  2064.76  191.745  2180.92  192.606  405.549   18.933  416.851   18.503 -11.30185 26.47320 
1 1 1  -13    3    3 o  657.481   20.652  5432.23  339.067  5405.26  479.318  5459.24  479.708  653.711   29.362  657.003   29.239 -3.291504 41.43719 
1 1 1  -13    3    4 o  443.726   14.869  2466.61  164.757  2496.42  232.820  2436.71  233.184  445.672   20.920  440.269   21.209 5.402924 29.79044 
1 1 1  -13    3    5 o  627.851   19.731  4951.17  309.359  4738.63  436.981  5164.73  438.020  612.244   28.582  639.490   27.429 -27.24597 39.61390 
1 1 1  -13    3    6 o  731.420   22.652  6732.83  413.732  6641.96  584.912  6823.83  585.299  723.495   32.375  733.485   31.955 -9.989868 45.48870 
1 1 1  -13    3    7 o  460.340   21.864  2666.04  251.339  2849.74  354.294  2479.93  356.612  473.421   30.125  440.805   32.628 32.61624 44.40872 
1 1 1  -13    3    8 f  367.417   18.758  1699.65  171.535  1899.66  241.241  1495.10  243.957  387.272   25.080  342.551   28.786 44.72073 38.17899 
1 1 1  -13    3    9 o  559.792   25.575  3956.73  357.510  4016.61  504.083  3896.12  507.121  559.789   36.255  550.970   37.074 8.818909 51.85441 
1 1 1  -13    3   10 o  254.855   10.707  812.658   68.140  827.383   96.079  797.756   96.653  256.455   15.069  251.757   15.449 4.697815 21.58066 
1 1 1  -13    3   11 o  445.375   15.042  2487.48  167.291  2475.29  236.329  2499.72  236.844  443.308   21.348  445.500   21.289 -2.192596 30.14931 
1 1 1  -13    3   12 o  111.823   9.6692  157.593   26.735  159.406   37.232  155.662   38.413  111.964   13.595  110.522   14.250 1.442238 19.69503 
1 1 1  -13    3   13 o  401.492   13.903  2021.32  139.395  2017.29  197.012  2025.35  197.255  400.229   19.712  401.031   19.697 -0.8015137 27.86645 
1 1 1  -13    3   14 o  213.471   9.6623  570.266   51.507  572.181   72.713  568.336   72.972  213.149   13.734  212.416   13.832 0.7335358 19.49249 
1 1 1  -13    3   15 o  244.715   9.7419  749.594   59.533  784.651   84.321  714.750   84.064  249.716   13.573  238.210   14.196 11.50563 19.64072 
1 1 1  -13    3   16 o  310.184   12.105  1206.42   93.765  1224.66  132.638  1188.19  132.570  311.404   17.122  306.666   17.383 4.737274 24.39960 
1 1 1  -13    3   17 o  280.960   11.569  989.824   81.172  1018.47  114.796  961.183  114.794  283.957   16.257  275.731   16.751 8.226044 23.34269 
1 1 1  -13    3   18 o  527.999   23.909  3550.39  315.242   0.0000   0.0000  3550.39  315.242  ?   ?   527.999   23.909 0.000000 23.90897 
1 1 1  -13    3   19 o  334.884   25.903  1443.85  214.935  1443.85  214.935   0.0000   0.0000  334.884   25.903  ?   ?  0.000000 25.90315 
1 1 1  -13    3   20 o  294.452   12.350  1089.31   90.810  1250.95  162.906  1016.43  109.381  313.063   20.959  283.516   15.508 29.54654 26.07269 
1 1 1  -13    3   21 o  153.488   11.961  297.733   45.483  288.640   88.031  301.044   53.123  148.286   24.638  154.011   13.965 -5.725006 28.32003 
1 1 1  -13    3   22 o  489.851   18.349  3041.64  224.456  3386.03  394.240  2876.47  273.026  508.870   31.175  474.314   23.051 34.55542 38.77118 
1 1 1  -13    3   23 o  120.498   12.505  184.544   37.080  197.465   80.279  181.039   41.807  121.420   27.157  119.003   14.358 2.417114 30.71880 
1 1 1  -13    3   24 o  271.443   13.507  928.117   91.555  866.383  165.708  955.243  109.844  258.018   26.076  274.423   16.099 -16.40540 30.64565 
1 1 1  -13    3   25 o  304.078   13.476  1164.92  102.332  1232.54  186.896  1135.97  122.291  308.754   24.440  299.192   16.431 9.561829 29.44976 
1 1 1  -13    3   26 o  223.528   22.541  645.929  124.106   0.0000   0.0000  645.929  124.106  ?   ?   223.528   22.541 0.000000 22.54133 
1 1 1  -13    3   27 o  260.817   12.240  856.047   79.722  1057.88  154.986  783.431   92.964  286.749   21.808  248.576   15.047 38.17299 26.49507 
1 1 1  -13    3   28 o  165.689   12.173  347.361   50.014  421.884  110.184  328.022   56.129  179.126   25.340  160.609   14.139 18.51773 29.01742 
1 1 1  -13    3   29 o  154.005   12.505  300.699   47.675  345.211  111.844  290.815   52.703  160.317   29.005  151.117   14.130 9.200211 32.26366 
1 1 1  -13    3   30 o  273.524   14.240  948.135   96.925  950.737  186.790  947.177  113.385  268.202   28.318  272.622   16.736 -4.420532 32.89351 
1 1 1  -13    3   31 o  370.832   18.418  1755.84  170.554  2045.78  259.642  1535.78  226.201  394.890   26.483  341.785   26.715 53.10483 37.61725 
1 1 1  -13    3   32 o  162.204   13.326  335.031   53.500  243.703  126.034  355.105   59.087  130.986   36.935  166.775   14.327 -35.78891 39.61668 
1 1 1  -13    3   33 o  192.144   12.508  469.166   59.690  647.462  149.897  435.566   65.072  218.902   28.068  184.630   14.223 34.27136 31.46608 
1 1 1  -13    3   34 o  190.322   12.827  461.865   60.606  464.113  148.978  461.419   66.344  180.089   34.381  189.822   14.097 -9.733551 37.15887 
1 1 1  -13    3   35 o  207.930   13.554  553.955   69.995  545.682  162.583  555.838   77.550  193.477   34.936  207.671   15.056 -14.19325 38.04255 
1 1 1  -13    3   36 o  179.638   12.921  414.432   57.575  412.980  159.199  414.650   61.755  162.027   39.666  179.297   13.901 -17.27031 42.03117 
1 1 1  -13    3   37 o  188.316   20.092  476.368   93.026  450.529  171.376  487.163  110.765  165.106   41.588  187.591   24.210 -22.48485 48.12128 
1 1 1  -13    3   38 o  163.596   13.409  347.405   54.297  489.332  165.393  330.262   57.482  172.696   39.243  158.899   14.652 13.79704 41.88882 
1 1 1  -13    3   39 o  134.711   14.620  238.888   48.391  104.717  165.805  251.381   50.593   93.586   40.000  138.084   14.909 -44.49836 42.68786 
1 1 1  -13    3   40 o  140.487   14.315  260.171   49.519   0.0000   0.0000  260.171   49.519  ?   ?   140.487   14.315 0.000000 14.31517 
1 1 1  -13    3   41 o   85.423   19.153  102.895   39.847  136.142  180.975  101.201   40.850   94.809   41.164   84.443   19.728 10.36638 45.64714 
1 1 1  -13    3   42 o   87.798   16.749  106.792   35.382  141.074  193.156  105.602   35.991   92.980   41.363   87.093   17.159 5.886604 44.78091 
1 1 1  -13    4    1 o  247.913   14.980  773.034   92.305  827.354  128.592  715.296  132.576  255.755   20.301  237.290   22.649 18.46506 30.41556 
1 1 1  -13    4    2 o  332.771   17.205  1392.96  142.481  1354.40  199.543  1433.08  203.514  326.845   24.629  336.302   24.399 -9.457214 34.66872 
1 1 1  -13    4    3 o  625.075   28.189  4940.83  440.004  5160.29  621.428  4720.20  623.096  633.854   39.456  605.231   41.477 28.62402 57.24613 
1 1 1  -13    4    4 o  455.413   21.348  2608.51  242.780  2520.37  341.466  2698.62  345.252  444.862   30.930  460.606   30.183 -15.74432 43.21671 
1 1 1  -13    4    5 o  626.494   28.219  4963.46  441.481  5116.32  623.393  4809.66  625.308  630.997   39.766  611.078   41.218 19.91901 57.27384 
1 1 1  -13    4    6 o  447.396   21.356  2517.78  238.598  2654.20  336.205  2379.37  338.664  456.886   29.627  431.934   31.618 24.95135 43.32970 
1 1 1  -13    4    7 o  598.432   26.748  4524.79  399.721  5390.22  565.800  3662.46  564.782  649.554   35.011  531.942   42.882 117.6118 55.35881 
1 1 1  -13    4    8 o  337.681   17.387  1434.88  146.116  1397.43  203.991  1474.34  209.394  331.899   24.791  340.965   24.761 -9.065643 35.03915 
1 1 1  -13    4    9 o  308.655   13.422  1193.34  103.451  1178.24  126.106  1224.42  180.900  305.997   16.565  310.762   23.484 -4.765045 28.73857 
1 1 1  -13    4   10 o  236.434   10.486  699.411   61.910  707.672   87.094  690.974   88.022  237.131   14.781  234.262   15.127 2.869705 21.15016 
1 1 1  -13    4   11 o  290.773   11.000  1058.20   79.872  1054.05  112.590  1062.40  113.326  289.433   15.636  290.575   15.676 -1.142273 22.14057 
1 1 1  -13    4   12 o  186.891   9.8544  438.214   45.828  445.073   64.344  431.153   65.288  187.923   13.808  184.888   14.251 3.035309 19.84277 
1 1 1  -13    4   13 o  268.836   10.803  904.773   72.523  864.630  102.163  945.551  102.968  261.961   15.690  274.073   15.103 -12.11264 21.77760 
1 1 1  -13    4   14 o  334.521   12.201  1402.31  101.922  1426.44  143.987  1378.08  144.292  336.355   17.200  330.525   17.545 5.830078 24.56942 
1 1 1  -13    4   15 o  290.880   11.664  1060.26   84.722  1080.98  119.764  1039.51  119.866  292.736   16.450  286.984   16.799 5.751373 23.51188 
1 1 1  -13    4   16 o  391.527   13.782  1924.58  134.752  2057.18  190.862  1792.78  190.276  403.810   18.927  376.142   20.333 27.66779 27.77898 
1 1 1  -13    4   17 o  159.100   10.086  318.338   39.864  386.727   56.748  251.710   56.012  175.035   13.077  140.478   16.268 34.55678 20.87268 
1 1 1  -13    4   18 o  358.188   13.119  1611.51  117.345  1707.83  165.933  1515.15  165.968  367.758   18.068  345.600   19.308 22.15793 26.44372 
1 1 1  -13    4   19 o  356.097   18.424  1607.67  163.270  1581.97  234.772  1631.73  227.210  350.187   27.057  356.231   25.714 -6.043976 37.32687 
1 1 1  -13    4   20 o  265.808   10.372  886.019   68.847  869.065   97.024  903.213   97.708  262.242   14.877  267.400   14.689 -5.157745 20.90656 
1 1 1  -13    4   21 o  217.959   11.668  598.291   63.276  687.533  117.880  562.169   74.996  231.702   20.588  210.790   14.333 20.91284 25.08546 
1 1 1  -13    4   22 o  628.067   21.528  5027.22  337.650  6022.51  591.424  4545.96  411.261  675.318   35.192  593.275   27.759 82.04333 44.82266 
1 1 1  -13    4   23 o  164.215   12.614  341.133   51.331  242.798   98.549  377.744   60.132  134.184   30.146  172.588   14.075 -38.40392 33.26987 
1 1 1  -13    4   24 o  108.719   13.251  150.964   35.231  171.327   78.400  145.812   39.438  112.889   27.957  106.426   15.277 6.463089 31.85912 
1 1 1  -13    4   25 o  450.699   17.830  2575.84  200.678  2556.66  353.353  2584.97  243.814  440.325   32.362  449.835   21.705 -9.510193 38.96682 
1 1 1  -13    4   26 o  244.075   14.960  754.887   90.742   0.0000   0.0000  754.887   90.742  ?   ?   244.075   14.960 0.000000 14.96012 
1 1 1  -13    4   27 o  211.070   22.890  577.376  118.714   0.0000   0.0000  577.376  118.714  ?   ?   211.070   22.890 0.000000 22.88969 
1 1 1  -13    4   28 o  204.095   13.083  526.953   66.326  509.846  133.193  532.593   76.483  196.299   27.962  204.759   15.064 -8.459702 31.76115 
1 1 1  -13    4   29 f  127.113   12.985  205.701   40.638  272.362  104.042  193.700   44.145  141.665   30.325  122.977   14.664 18.68870 33.68478 
1 1 1  -13    4   30 o  167.307   13.484  355.470   55.859  341.409  125.053  358.974   62.434  157.884   32.790  167.790   15.061 -9.905472 36.08345 
1 1 1  -13    4   31 o  196.736   13.686  491.348   66.819  455.134  142.706  501.518   75.621  182.618   32.483  198.344   15.388 -15.72647 35.94399 
1 1 1  -13    4   32 o  263.935   16.189  889.272  106.185  1062.59  176.921  791.691  132.753  284.368   25.174  246.787   21.764 37.58083 33.27810 
1 1 1  -13    4   33 o  267.140   13.967  907.776   92.853  948.279  185.664  894.266  107.225  265.638   28.430  264.251   16.329 1.387207 32.78609 
1 1 1  -13    4   34 o  138.205   13.669  245.030   46.555  236.452  131.264  246.265   49.792  127.083   38.240  138.288   14.641 -11.20444 40.94724 
1 1 1  -13    4   35 o  211.975   12.759  573.355   67.226  750.469  162.404  536.731   73.850  233.426   28.450  204.404   14.563 29.02226 31.96039 
1 1 1  -13    4   36 o   85.209   16.879   97.072   34.646   46.409  128.163  101.066   35.985   83.707   35.451   86.893   17.193 -3.186081 39.39984 
1 1 1  -13    4   37 o  141.217   14.874  260.080   51.663   0.0000   0.0000  260.080   51.663  ?   ?   141.217   14.874 0.000000 14.87392 
1 1 1  -13    4   38 o  184.182   13.615  439.582   62.179  449.853  171.006  438.017   66.747  163.417   41.752  183.302   14.706 -19.88489 44.26569 
1 1 1  -13    4   39 o  232.160   13.697  699.859   79.057  775.055  200.018  685.936   86.065  219.347   37.886  228.862   15.145 -9.515350 40.80108 
1 1 1  -13    4   40 o  104.884   15.688  147.260   39.826  161.440  176.895  146.503   40.876  101.573   42.238  104.383   16.207 -2.810791 45.24087 
1 1 1  -13    4   41 o  132.467   14.422  232.374   46.936  200.798  188.889  234.452   48.456  104.965   43.648  132.835   14.862 -27.87035 46.10868 
1 1 1  -13    4   42 o   71.263   18.772   71.992   33.872 -41.0036  187.596   75.800   34.438   76.658   36.373   73.115   18.767 3.542992 40.92926 
1 1 1  -13    5    1 o  468.522   22.149  2765.22  259.144  2936.58  365.556  2592.11  367.420  479.961   30.660  450.097   32.918 29.86380 44.98449 
1 1 1  -13    5    2 o  351.232   17.279  1548.46  151.552  1352.87  211.278  1755.76  217.513  326.186   26.158  372.455   23.507 -46.26874 35.16839 
1 1 1  -13    5    3 o  290.268   15.107  1059.02  109.124  836.744  150.664  1304.28  158.266  256.545   23.788  321.509   19.809 -64.96344 30.95606 
1 1 1  -13    5    4 o  441.328   20.557  2449.62  226.554  2231.12  318.089  2674.57  322.752  418.270   30.668  458.826   28.307 -40.55612 41.73482 
1 1 1  -13    5    5 o  332.640   17.576  1392.74  145.483  1510.80  203.961  1270.46  207.575  345.371   23.794  315.993   26.552 29.37778 35.65318 
1 1 1  -13    5    6 o  309.056   16.443  1201.56  126.445  1155.31  176.097  1250.79  181.674  301.842   23.549  314.180   23.322 -12.33795 33.14349 
1 1 1  -13    5    7 o  532.706   24.649  3581.32  327.899  3872.56  462.849  3287.88  464.593  550.387   33.840  505.791   37.041 44.59558 50.17152 
1 1 1  -13    5    8 o  226.255   9.8815  640.305   55.831  620.408   78.182  661.012   79.755  222.057   14.173  229.256   13.998 -7.199188 19.92037 
1 1 1  -13    5    9 o  165.949   9.8570  345.686   40.664  367.488   56.909  322.942   58.126  170.743   13.456  159.829   14.729 10.91364 19.95047 
1 1 1  -13    5   10 o  285.926   11.003  1023.19   78.562  957.722  110.439  1090.26  111.780  275.790   16.106  294.437   15.255 -18.64624 22.18365 
1 1 1  -13    5   11 f  381.344   13.113  1822.17  124.873  1785.21  176.170  1859.49  177.026  376.766   18.724  384.566   18.434 -7.800079 26.27570 
1 1 1  -13    5   12 o  266.656   11.109  890.213   73.972  874.044  104.209  906.634  105.019  263.378   15.919  268.286   15.744 -4.908844 22.38984 
1 1 1  -13    5   13 o  371.339   13.348  1728.87  123.777  1705.44  174.580  1752.55  175.518  367.539   19.087  372.629   18.924 -5.089966 26.87836 
1 1 1  -13    5   14 o  341.479   12.602  1461.75  107.461  1449.57  151.615  1474.05  152.332  338.895   17.980  341.766   17.911 -2.871002 25.37881 
1 1 1  -13    5   15 o  347.630   12.878  1515.66  111.793  1534.77  157.885  1496.46  158.314  348.575   18.201  344.122   18.491 4.453278 25.94594 
1 1 1  -13    5   16 o  303.166   10.748  1151.49   81.368  1110.97  114.686  1192.55  115.461  296.840   15.526  308.028   15.010 -11.18744 21.59535 
1 1 1  -13    5   17 o  215.445   14.745  586.276   78.854   0.0000   0.0000  586.276   78.854  ?   ?   215.445   14.745 0.000000 14.74538 
1 1 1  -13    5   18 o  433.134   17.216  2366.67  186.212  2398.78  228.661  2303.43  320.856  434.961   21.052  421.633   30.684 13.32803 37.21154 
1 1 1  -13    5   19 o  231.526   14.670  677.370   84.379  694.057  125.292  663.520  114.144  232.723   21.814  227.906   20.268 4.816864 29.77611 
1 1 1  -13    5   20 o  449.680   21.468  2571.72  241.074  2639.16  344.973  2507.35  337.027  450.246   30.868  438.759   30.959 11.48645 43.71842 
1 1 1  -13    5   21 o  354.389   12.536  1578.62  110.938  1558.98  157.065  1598.16  156.715  350.502   18.006  355.417   17.657 -4.915253 25.21866 
1 1 1  -13    5   22 o  382.400   14.346  1842.46  136.990  2152.23  244.085  1700.02  165.516  409.345   23.983  366.344   18.093 43.00076 30.04189 
1 1 1  -13    5   23 o  215.348   12.125  584.750   64.937  578.733  121.693  587.145   76.783  211.446   23.441  215.369   14.359 -3.922791 27.48969 
1 1 1  -13    5   24 o  127.543   12.108  206.319   38.101  203.996   82.947  206.941   42.895  123.330   27.619  127.463   13.691 -4.132889 30.82649 
1 1 1  -13    5   25 o  404.674   16.611  2072.09  167.859  2070.88  297.030  2072.66  203.465  397.594   30.141  402.947   20.285 -5.352661 36.33116 
1 1 1  -13    5   26 o  103.351   14.422  137.259   36.207  141.441   86.193  136.362   39.898  103.211   30.971  102.663   16.091 0.5480957 34.90221 
1 1 1  -13    5   27 o   80.659   27.760   78.107   67.690   0.0000   0.0000   78.107   67.690  ?   ?    80.659   27.760 0.000000 27.75995 
1 1 1  -13    5   28 o  474.239   18.763  2860.14  222.207  2686.99  392.408  2941.86  269.596  448.281   35.341  479.042   22.537 -30.76056 41.91487 
1 1 1  -13    5   29 o  126.969   13.749  205.676   42.896  233.159  105.424  200.223   46.959  130.466   32.484  124.921   15.378 5.545235 35.93999 
1 1 1  -13    5   30 o  156.955   12.491  312.269   48.551  503.752  118.265  273.456   53.245  196.059   24.704  146.355   14.771 49.70358 28.78308 
1 1 1  -13    5   31 o  526.182   20.234  3545.13  265.865  3530.26  471.376  3552.06  321.963  509.060   37.341  523.572   24.625 -14.51190 44.72990 
1 1 1  -13    5   32 o  184.317   13.479  431.707   61.612  342.515  138.828  453.583   68.754  155.926   36.328  188.646   14.711 -32.71953 39.19363 
1 1 1  -13    5   33 o  191.343   16.273  469.842   77.017  460.947  145.734  473.289   90.720  182.152   33.265  191.023   19.282 -8.870926 38.44892 
1 1 1  -13    5   34 o  276.041   13.325  966.985   91.850  1208.50  192.033  895.344  104.590  301.112   25.787  264.266   15.923 36.84610 30.30742 
1 1 1  -13    5   35 o  150.669   13.513  291.200   50.302  286.226  137.175  291.973   54.068  138.238   38.377  150.551   14.563 -12.31271 41.04706 
1 1 1  -13    5   36 o  258.491   13.802  856.635   88.770  979.291  192.656  823.575  100.021  264.605   29.667  252.338   15.955 12.26736 33.68540 
1 1 1  -13    5   37 o  203.102   13.252  530.475   66.845  514.089  167.621  533.574   72.892  182.377   38.036  203.139   14.464 -20.76115 40.69357 
1 1 1  -13    5   38 o  182.457   25.351  466.372  112.386   0.0000   0.0000  466.372  112.386  ?   ?   182.457   25.351 0.000000 25.35112 
1 1 1  -13    5   39 o  196.468   13.857  501.532   67.547  568.041  195.150  492.480   71.998  180.815   43.704  194.049   14.974 -13.23409 46.19798 
1 1 1  -13    5   40 o   95.943   19.464  127.506   45.039   79.750  166.375  131.283   46.786   90.221   39.318   97.167   19.950 -6.945755 44.08990 
1 1 1  -13    5   41 o  134.940   14.062  239.862   46.689  341.812  190.160  233.322   48.163  129.341   46.363  132.712   14.784 -3.371140 48.66280 
1 1 1  -13    5   42 o   38.512   15.953   7.6315   25.096   23.298  188.822   7.3498   25.320   83.129   38.474   38.537   15.999 44.59233 41.66758 
1 1 1  -13    5   43 o  140.792   14.152  264.252   49.083  371.722  217.260  258.472   50.386  120.978   48.083  138.853   14.758 -17.87437 50.29649 
1 1 1  -13    6    1 o  233.305   10.028  681.000   58.427  665.619   81.878  696.958   83.398  229.974   14.329  235.354   14.257 -5.379837 20.21330 
1 1 1  -13    6    2 o  531.181   16.962  3542.71  224.997  3498.64  317.771  3587.02  318.617  526.354   24.176  533.020   23.937 -6.666321 34.02166 
1 1 1  -13    6    3 o  485.435   15.885  2956.45  192.565  3005.02  271.978  2907.64  272.679  488.270   22.306  480.204   22.739 8.065460 31.85330 
1 1 1  -13    6    4 o  235.493   10.253  693.804   60.295  696.398   84.815  691.153   85.732  235.258   14.508  234.340   14.725 0.9180603 20.67148 
1 1 1  -13    6    5 o  403.677   13.793  2041.91  139.046  2088.06  196.381  1995.53  196.902  407.520   19.298  398.316   19.796 9.204163 27.64533 
1 1 1  -13    6    6 o  272.375   10.897  928.380   74.119  960.591  104.425  895.677  105.218  276.357   15.190  266.736   15.868 9.621063 21.96646 
1 1 1  -13    6    7 o  258.844   10.714  838.387   69.252  845.767   97.478  830.866   98.404  259.264   15.122  256.926   15.409 2.338531 21.58918 
1 1 1  -13    6    8 o  239.921   10.592  720.286   63.462  765.716   89.373  674.084   90.130  246.706   14.572  231.272   15.699 15.43425 21.41944 
1 1 1  -13    6    9 o  401.367   13.262  2018.51  132.925  1992.69  187.479  2044.60  188.495  398.079   18.860  403.252   18.719 -5.173431 26.57194 
1 1 1  -13    6   10 o  490.215   15.995  3016.44  195.800  2856.05  276.252  3178.35  277.558  475.606   23.260  501.986   22.142 -26.38025 32.11351 
1 1 1  -13    6   11 o  168.469   9.5458  356.209   39.994  321.505   55.607  393.400   57.565  159.506   14.106  176.690   13.140 -17.18350 19.27817 
1 1 1  -13    6   12 o  223.159   9.9125  623.198   55.239  575.494   77.255  673.100   79.015  213.682   14.565  231.279   13.743 -17.59781 20.02513 
1 1 1  -13    6   13 o  244.641   10.683  749.346   65.263  768.808   91.849  729.500   92.750  247.023   14.960  240.518   15.525 6.505554 21.56033 
1 1 1  -13    6   14 o  191.512   9.6491  460.209   45.998  425.908   64.177  496.444   65.962  183.686   14.099  198.493   13.386 -14.80751 19.44086 
1 1 1  -13    6   15 o  461.815   15.273  2680.29  176.128  2654.33  248.805  2706.36  249.363  458.048   21.752  462.561   21.588 -4.513397 30.64613 
1 1 1  -13    6   16 o  133.658   11.437  225.560   37.805  257.542   71.023  212.916   44.657  141.259   20.753  129.453   14.039 11.80580 25.05569 
1 1 1  -13    6   17 o  276.981   16.590  969.910  114.217  969.910  114.217   0.0000   0.0000  276.981   16.590  ?   ?  0.000000 16.58951 
1 1 1  -13    6   18 o  418.674   14.600  2205.15  152.640  2211.98  215.641  2198.30  216.092  417.752   20.671  416.426   20.780 1.326660 29.31056 
1 1 1  -13    6   19 o  243.755   14.526  750.416   88.020  868.022  132.163  656.672  117.996  260.835   20.455  226.489   21.106 34.34619 29.39116 
1 1 1  -13    6   20 o  517.426   24.165  3421.85  312.233  3478.22  444.952  3367.17  438.253  514.300   34.851  505.957   34.900 8.343292 49.32141 
1 1 1  -13    6   21 o  318.465   12.177  1274.31   96.837  1312.38  137.111  1236.43  136.785  321.764   17.126  312.151   17.620 9.612946 24.57142 
1 1 1  -13    6   22 o  170.281   10.226  365.003   43.283  419.029   61.667  312.544   60.766  181.943   13.673  156.594   15.753 25.34885 20.85911 
1 1 1  -13    6   23 o  188.387   11.842  447.687   55.426  463.434  106.100  441.777   65.000  189.116   22.936  186.748   14.041 2.368057 26.89238 
1 1 1  -13    6   24 o  216.285   12.155  589.951   65.382  609.228  124.109  582.546   76.922  217.004   23.265  214.480   14.446 2.524323 27.38550 
1 1 1  -13    6   25 o  251.947   12.835  800.884   80.486  892.973  149.696  763.437   95.458  263.168   23.010  245.346   15.662 17.82159 27.83447 
1 1 1  -13    6   26 o  333.148   14.421  1399.94  119.973  1498.90  217.410  1356.62  143.859  340.081   25.792  326.660   17.702 13.42096 31.28259 
1 1 1  -13    6   27 o  238.812   13.298  720.593   78.990  616.316  152.374  758.914   92.371  215.981   28.983  244.666   15.194 -28.68472 32.72388 
1 1 1  -13    6   28 o  208.420   23.783  564.830  121.567   0.0000   0.0000  564.830  121.567  ?   ?   208.420   23.783 0.000000 23.78335 
1 1 1  -13    6   29 o  251.023   12.850  795.818   80.281  925.879  158.693  751.084   93.068  267.186   24.042  243.239   15.402 23.94740 28.55219 
1 1 1  -13    6   30 o  277.496   13.518  971.440   93.674  1098.21  182.101  925.822  109.235  290.332   25.372  269.809   16.289 20.52274 30.15062 
1 1 1  -13    6   31 o  289.073   14.772  1059.86  106.276  1025.31  202.315  1073.03  124.895  277.926   29.607  290.027   17.324 -12.10126 34.30256 
1 1 1  -13    6   32 o  196.320   13.107  488.863   63.887  498.833  144.072  486.422   71.279  191.745   31.158  195.432   14.713 -3.686844 34.45765 
1 1 1  -13    6   33 o  262.950   13.392  877.277   87.648  965.653  180.384  849.962  100.282  269.488   27.175  258.070   15.635 11.41837 31.35204 
1 1 1  -13    6   34 o  159.239   16.799  327.818   65.794  250.262  137.955  350.652   74.855  131.045   39.151  164.137   18.590 -33.09200 43.34047 
1 1 1  -13    6   35 o  134.924   13.374  233.634   44.467  355.458  137.513  219.408   46.992  156.047   36.019  130.345   14.693 25.70157 38.90089 
1 1 1  -13    6   36 o   87.177   16.856  101.172   35.367 -51.2982  128.525  113.664   36.787   70.746   32.376   92.636   16.508 -21.88966 36.34196 
1 1 1  -13    6   37 o  264.585   14.318  901.781   94.250  872.392  203.705  909.786  106.314  243.480   34.466  264.653   16.164 -21.17287 38.06832 
1 1 1  -13    6   38 o  289.913   14.413  1084.73  104.343  1264.50  229.822  1038.06  117.108  294.188   31.789  281.597   16.729 12.59109 35.92200 
1 1 1  -13    6   39 o  200.428   25.964  568.368  126.898   0.0000   0.0000  568.368  126.898  ?   ?   200.428   25.964 0.000000 25.96408 
1 1 1  -13    6   40 o  129.991   14.379  221.939   45.895  460.645  179.477  205.237   47.474  160.640   43.617  124.403   15.627 36.23720 46.33217 
1 1 1  -13    6   41 o  145.314   14.235  277.636   50.991  289.389  188.579  276.708   52.964  121.411   45.716  144.746   14.864 -23.33512 48.07148 
1 1 1  -13    6   42 o   97.631   16.815  130.141   39.516  100.030  194.957  131.431   40.354   92.277   41.266   97.977   17.116 -5.700020 44.67483 
1 1 1  -13    6   43 o  192.119   18.994  510.774   89.932  442.513  233.833  522.624   97.426  130.740   50.492  192.785   20.554 -62.04492 54.51526 
1 1 1  -13    7    1 o  217.803   9.9658  593.630   54.203  577.997   75.771  610.013   77.570  214.200   14.247  220.085   14.190 -5.884827 20.10778 
1 1 1  -13    7    2 o  542.042   17.464  3692.81  236.385  3619.47  333.859  3766.53  334.741  534.789   24.999  545.671   24.566 -10.88196 35.04912 
1 1 1  -13    7    3 o  422.613   14.256  2239.61  150.452  2270.39  212.454  2208.64  213.090  424.621   20.036  418.746   20.378 5.874298 28.57811 
1 1 1  -13    7    4 o  453.745   15.180  2582.98  171.999  2680.05  243.053  2485.61  243.434  461.167   21.105  443.954   21.958 17.21255 30.45635 
1 1 1  -13    7    5 o  422.712   14.324  2240.49  151.206  2267.37  213.453  2213.42  214.223  424.368   20.142  419.233   20.463 5.134491 28.71286 
1 1 1  -13    7    6 o  692.919   21.740  6053.30  376.176  6080.10  531.782  6026.46  532.205  691.099   30.814  687.973   30.978 3.125793 43.69362 
1 1 1  -13    7    7 o  330.529   11.785  1368.00   97.268  1393.72  137.150  1341.97  137.970  333.164   16.485  326.431   16.984 6.733429 23.66892 
1 1 1  -13    7    8 o  180.319   9.4732  407.863   42.507  378.271   59.426  438.866   60.827  173.159   13.859  186.685   13.131 -13.52644 19.09223 
1 1 1  -13    7    9 o  127.589   9.9808  204.931   31.547  208.236   43.470  201.254   45.852  128.146   13.802  125.793   14.885 2.352844 20.29940 
1 1 1  -13    7   10 o  307.835   11.834  1186.89   90.973  1183.79  128.221  1190.03  129.093  306.495   16.817  307.292   16.888 -0.7974854 23.83284 
1 1 1  -13    7   11 o  204.809   10.083  524.977   51.567  526.916   72.310  522.971   73.559  204.458   14.252  203.646   14.561 0.8120117 20.37470 
1 1 1  -13    7   12 o  196.625   9.9659  485.123   48.774  476.694   68.248  493.922   69.729  194.412   14.155  197.906   14.204 -3.493500 20.05260 
1 1 1  -13    7   13 o  358.966   12.977  1615.85  116.329  1587.11  164.037  1644.92  164.996  354.483   18.596  360.948   18.366 -6.464966 26.13638 
1 1 1  -13    7   14 o  277.944   10.787  967.633   74.873  911.963  105.140  1024.91  106.648  268.901   15.726  285.239   15.025 -16.33798 21.75023 
1 1 1  -13    7   15 f  337.011   12.470  1424.56  104.943  1401.62  147.913  1447.80  148.916  333.034   17.851  338.528   17.677 -5.494568 25.12193 
1 1 1  -13    7   16 o  299.699   11.816  1126.40   88.431  1177.77  125.164  1075.19  124.958  305.396   16.473  291.595   17.237 13.80063 23.84291 
1 1 1  -13    7   17 f  335.979   11.931  1416.21  100.104  1397.60  141.186  1435.03  141.954  332.510   17.061  337.401   16.848 -4.891144 23.97771 
1 1 1  -13    7   18 o  342.152   11.911  1469.21  101.769  1462.38  143.678  1476.09  144.169  340.475   16.899  342.072   16.877 -1.596313 23.88330 
1 1 1  -13    7   19 o  131.509   14.190  220.088   45.862  260.661   74.514  195.346   58.189  141.647   21.762  122.705   19.654 18.94243 29.32322 
1 1 1  -13    7   20 o  324.010   18.024  1332.14  145.256  1072.17  208.347  1578.02  202.619  286.619   29.532  350.928   23.253 -64.30841 37.58787 
1 1 1  -13    7   21 o  182.242   10.386  417.933   47.070  475.585   66.695  360.721   66.440  193.887   13.867  168.318   15.999 25.56879 21.17226 
1 1 1  -13    7   22 o  150.983   9.8330  287.041   36.871  252.730   51.921  321.948   52.369  140.799   14.998  159.417   13.276 -18.61777 20.02948 
1 1 1  -13    7   23 o  210.187   10.217  554.239   53.626  575.536   76.197  533.338   75.484  213.218   14.395  205.129   14.836 8.089493 20.67194 
1 1 1  -13    7   24 o  153.294   12.334  297.367   46.814  287.635   94.310  300.549   53.927  147.295   26.620  153.787   14.203 -6.491882 30.17159 
1 1 1  -13    7   25 o  263.451   12.829  873.446   84.401  1021.56  156.863  813.096  100.130  281.811   22.477  253.172   15.919 28.63895 27.54334 
1 1 1  -13    7   26 o  145.901   13.099  270.119   47.216  261.987   99.606  272.475   53.623  139.507   29.513  146.201   14.896 -6.694397 33.05885 
1 1 1  -13    7   27 o  345.706   14.728  1508.42  127.146  1530.45  229.417  1498.65  152.751  342.961   27.006  343.271   17.881 -0.3104553 32.38920 
1 1 1  -13    7   28 o  256.805   24.282  855.237  153.869   0.0000   0.0000  855.237  153.869  ?   ?   256.805   24.282 0.000000 24.28187 
1 1 1  -13    7   29 o   88.459   25.867  103.307   60.753  130.303  102.119   88.518   75.584  101.288   34.108   85.350   29.336 15.93784 44.98822 
1 1 1  -13    7   30 o  167.368   13.392  355.459   55.504  401.410  124.583  344.079   61.997  172.891   29.940  164.249   15.291 8.641312 33.61916 
1 1 1  -13    7   31 o  224.420   13.463  637.871   75.101  649.372  155.234  634.357   85.812  221.056   28.806  223.291   15.485 -2.234650 32.70403 
1 1 1  -13    7   32 o  194.501   13.430  480.132   64.829  511.202  144.164  472.256   72.581  194.485   30.703  192.447   15.227 2.037598 34.27134 
1 1 1  -13    7   33 o  229.752   13.054  669.478   74.585  750.805  162.808  647.876   83.908  237.048   28.047  225.447   14.990 11.60143 31.80152 
1 1 1  -13    7   34 o  234.074   15.691  701.493   91.184  987.567  168.709  583.438  108.378  273.032   25.023  211.369   20.802 61.66292 32.54024 
1 1 1  -13    7   35 o   80.475   17.777   86.475   34.771  118.192  125.541   83.840   36.186   98.687   37.268   79.068   18.632 19.61897 41.66646 
1 1 1  -13    7   36 o   88.949   17.142  105.299   36.696 -19.3977  131.125  115.895   38.223   75.635   33.832   93.463   17.004 -17.82811 37.86430 
1 1 1  -13    7   37 o  219.756   14.398  622.391   78.576  614.320  183.533  624.203   86.948  201.278   37.905  219.286   15.988 -18.00818 41.13927 
1 1 1  -13    7   38 o   88.561   16.921  105.290   36.058  243.192  152.350   97.107   37.112  122.163   41.657   84.597   18.114 37.56622 45.42508 
1 1 1  -13    7   39 o  102.660   41.368  149.739  163.115  149.739  163.115   0.0000   0.0000  102.660   41.368  ?   ?  0.000000 41.36761 
1 1 1  -13    7   40 o  165.135   27.843  396.981  110.733   0.0000   0.0000  396.981  110.733  ?   ?   165.135   27.843 0.000000 27.84300 
1 1 1  -13    7   41 o  139.720   14.772  257.390   50.757  286.290  184.214  255.016   52.801  122.279   45.351  138.700   15.510 -16.42149 47.93013 
1 1 1  -13    7   42 o   46.098   17.183   23.232   26.511 -133.3629  188.255   26.400   26.778   71.998   34.759   47.710   17.357 24.28771 38.85205 
1 1 1  -13    7   43 o  185.913   14.833  459.330   68.290  360.384  233.701  468.567   71.406  121.038   49.249  187.349   15.399 -66.31020 51.60043 
1 1 1  -13    8    1 o  272.506   10.786  929.945   73.395  891.243  102.868  970.076  104.751  265.904   15.560  277.516   15.173 -11.61169 21.73295 
1 1 1  -13    8    2 o  213.870   9.7542  572.446   52.095  550.301   72.682  595.840   74.705  208.972   14.009  217.509   13.826 -8.536819 19.68253 
1 1 1  -13    8    3 o  155.719   9.6233  304.582   37.238  325.538   51.888  282.327   53.472  160.621   13.049  149.302   14.526 11.31868 19.52645 
1 1 1  -13    8    4 o  365.172   13.035  1671.59  118.870  1708.94  167.806  1633.97  168.410  368.536   18.234  359.794   18.809 8.741577 26.19661 
1 1 1  -13    8    5 o  309.054   11.739  1196.35   90.595  1251.63  127.666  1140.28  128.579  315.244   16.273  300.702   17.194 14.54218 23.67387 
1 1 1  -13    8    6 o  577.934   18.552  4203.11  267.742  4269.54  378.401  4136.51  378.888  580.272   26.114  571.006   26.572 9.265625 37.25568 
1 1 1  -13    8    7 o  323.305   12.017  1309.42   97.023  1370.50  137.057  1248.05  137.367  329.842   16.694  314.572   17.557 15.26947 24.22676 
1 1 1  -13    8    8 o  543.906   16.875  3718.04  229.198  3655.59  323.394  3781.07  324.881  537.500   24.094  546.735   23.796 -9.235535 33.86348 
1 1 1  -13    8    9 o  282.578   11.378  1000.04   80.290  1051.07  113.080  948.164  114.020  288.877   15.735  274.167   16.734 14.71014 22.96979 
1 1 1  -13    8   10 o  313.929   11.627  1234.53   91.152  1227.17  128.443  1241.99  129.379  312.042   16.543  313.923   16.563 -1.880341 23.40887 
1 1 1  -13    8   11 o  233.770   10.050  684.063   58.670  670.852   82.163  697.806   83.804  230.764   14.329  235.372   14.326 -4.607849 20.26210 
1 1 1  -13    8   12 o  185.878   9.8814  433.711   45.702  445.812   63.892  421.034   65.399  188.006   13.703  182.572   14.463 5.433777 19.92368 
1 1 1  -13    8   13 o  448.907   15.191  2532.03  170.287  2425.87  240.209  2639.28  241.440  437.340   22.066  456.969   21.158 -19.62857 30.57065 
1 1 1  -13    8   14 o  125.961   10.074  199.948   31.421  172.273   43.218  230.978   45.763  116.090   15.279  134.950   13.773 -18.86002 20.57050 
1 1 1  -13    8   15 o  193.436   14.546  472.846   69.747   0.0000   0.0000  472.846   69.747  ?   ?   193.436   14.546 0.000000 14.54555 
1 1 1  -13    8   16 o   74.229   17.170   72.214   31.194   72.214   31.194   0.0000   0.0000   74.229   17.170  ?   ?  0.000000 17.17025 
1 1 1  -13    8   17 o  342.301   12.802  1471.39  109.430  1491.16  154.352  1451.40  155.167  343.161   18.076  338.450   18.429 4.711243 25.81379 
1 1 1  -13    8   18 o  212.777   9.6771  567.266   51.419  567.966   72.207  566.545   73.238  212.104   13.706  211.800   13.925 0.3045807 19.53852 
1 1 1  -13    8   19 o  221.037   14.638  617.821   80.340  635.816  119.317  602.895  108.666  222.590   21.743  217.083   20.280 5.506546 29.73332 
1 1 1  -13    8   20 o  254.365   15.683  819.108   99.133  770.746  145.733  860.759  135.244  244.393   24.197  259.375   21.062 -14.98169 32.07987 
1 1 1  -13    8   21 o  282.537   11.474  1002.38   80.953  1010.53  114.139  994.133  114.835  282.431   16.252  280.061   16.493 2.369019 23.15461 
1 1 1  -13    8   22 o  227.114   10.434  647.156   59.178  636.674   83.339  657.817   84.047  224.211   14.971  227.945   14.846 -3.734695 21.08406 
1 1 1  -13    8   23 o  214.522   9.9850  577.227   53.490  555.080   75.665  599.351   75.627  209.340   14.565  217.683   13.986 -8.342987 20.19297 
1 1 1  -13    8   24 o  165.005   9.9661  342.767   40.873  334.329   57.870  351.165   57.735  162.220   14.437  166.363   14.028 -4.142288 20.12970 
1 1 1  -13    8   25 o  236.606   12.765  706.457   75.142  660.754  138.987  725.333   89.322  225.393   25.121  239.274   15.025 -13.88136 29.27152 
1 1 1  -13    8   26 o  358.893   14.772  1625.36  132.386  1779.08  237.935  1556.43  159.325  370.658   25.868  349.763   18.305 20.89548 31.68979 
1 1 1  -13    8   27 o  187.145   12.834  442.906   59.613  453.118  120.114  439.569   68.668  185.546   26.692  186.025   14.907 -0.4791718 30.57226 
1 1 1  -13    8   28 o  305.779   14.487  1180.02  110.621  1168.30  205.292  1184.82  131.315  298.872   27.826  305.243   17.298 -6.370361 32.76498 
1 1 1  -13    8   29 o  232.378   24.271  702.131  138.761   0.0000   0.0000  702.131  138.761  ?   ?   232.378   24.271 0.000000 24.27054 
1 1 1  -13    8   30 o  292.584   14.143  1080.76  103.337  1020.58  194.839  1104.31  121.893  278.467   28.417  294.690   16.632 -16.22299 32.92646 
1 1 1  -13    8   31 o  156.620   13.697  311.961   53.031  368.946  125.957  299.684   58.465  164.666   31.783  153.088   15.507 11.57813 35.36395 
1 1 1  -13    8   32 f  249.741   13.645  790.404   84.772  874.722  172.935  763.735   97.259  257.296   27.334  244.803   15.998 12.49242 31.67126 
1 1 1  -13    8   33 o  119.399   14.524  183.260   42.412  209.707  124.179  179.767   45.125  122.349   37.279  117.955   15.711 4.394142 40.45407 
1 1 1  -13    8   34 o  247.706   13.557  780.146   83.539  909.903  178.177  743.585   94.579  260.431   27.828  241.038   15.800 19.39218 32.00101 
1 1 1  -13    8   35 o  134.121   17.151  234.420   56.127  195.918  134.361  242.559   61.775  117.115   39.125  135.951   18.691 -18.83553 43.35977 
1 1 1  -13    8   36 o  133.096   14.810  229.237   48.389  256.046  140.562  225.633   51.540  129.993   39.674  131.650   16.007 -1.656494 42.78108 
1 1 1  -13    8   37 o  165.811   14.277  354.880   58.540  236.149  152.508  375.396   63.396  123.082   41.680  170.257   15.067 -47.17559 44.31975 
1 1 1  -13    8   38 o  107.860   16.522  154.262   43.083   0.0000   0.0000  154.262   43.083  ?   ?   107.860   16.522 0.000000 16.52180 
1 1 1  -13    8   39 o  192.802   14.406  482.886   68.860  154.060  174.777  543.308   74.920  104.608   42.580  204.362   14.780 -99.75404 45.07227 
1 1 1  -13    8   40 o  183.699   15.456  442.765   70.243   0.0000   0.0000  442.765   70.243  ?   ?   183.699   15.456 0.000000 15.45602 
1 1 1  -13    8   41 o  119.247   28.765  214.116   84.666  293.094  193.219  195.347   94.191  123.565   46.324  111.628   32.084 11.93732 56.34978 
1 1 1  -13    8   42 o  157.485   14.612  327.104   56.810  394.760  208.166  321.660   59.052  136.128   48.539  155.713   15.388 -19.58492 50.91927 
1 1 1  -13    8   43 o  130.394   15.109  227.175   48.286   24.537  212.443  238.214   49.584   85.979   40.136  133.542   15.136 -47.56213 42.89529 
1 1 1  -13    9    1 o  431.156   14.283  2334.84  153.784  2165.53  216.467  2507.36  218.513  413.291   21.044  445.633   19.636 -32.34262 28.78210 
1 1 1  -13    9    2 o  332.366   12.052  1384.87  100.026  1304.25  140.533  1467.65  142.402  321.350   17.579  341.523   16.697 -20.17349 24.24519 
1 1 1  -13    9    3 o  185.956   9.9688  434.151   46.123  420.624   64.406  448.392   66.082  182.498   14.245  188.474   14.144 -5.976044 20.07418 
1 1 1  -13    9    4 o  424.711   14.317  2264.33  151.846  2231.65  214.110  2297.40  215.382  420.478   20.391  426.668   20.215 -6.189423 28.71300 
1 1 1  -13    9    5 o   83.389   11.773   88.839   23.834   81.968   32.236   97.126   35.399   79.257   16.809   86.400   17.013 -7.143021 23.91565 
1 1 1  -13    9    6 o  231.160   10.389  669.021   59.973  688.730   84.121  648.647   85.526  233.797   14.480  226.759   15.192 7.037476 20.98673 
1 1 1  -13    9    7 o  544.770   17.534  3734.50  238.535  3694.71  336.790  3774.56  337.891  539.704   24.989  545.569   24.801 -5.864563 35.20754 
1 1 1  -13    9    8 o  423.657   14.515  2253.13  153.565  2273.32  216.754  2232.79  217.596  424.431   20.451  420.571   20.719 3.859650 29.11173 
1 1 1  -13    9    9 o  286.329   11.493  1027.16   82.180  1063.94  115.523  989.475  116.929  290.516   15.985  279.993   16.801 10.52271 23.19074 
1 1 1  -13    9   10 o  281.019   11.061  989.230   77.620  997.499  109.175  980.777  110.377  281.317   15.602  278.889   15.915 2.428131 22.28683 
1 1 1  -13    9   11 o   82.369   11.887   86.777   23.743  116.917   32.898   54.013   34.300   95.475   14.233   65.118   19.537 30.35753 24.17203 
1 1 1  -13    9   12 o  160.198   9.8830  322.529   39.343  330.533   54.820  314.028   56.497  161.704   13.705  157.462   14.532 4.242081 19.97501 
1 1 1  -13    9   13 o  175.818   9.5748  388.149   41.880  357.564   58.151  421.108   60.365  168.171   13.974  182.690   13.324 -14.51979 19.30745 
1 1 1  -13    9   14 o  307.111   11.707  1182.65   89.786  1159.18  126.562  1206.44  127.395  302.914   16.797  309.096   16.565 -6.181580 23.59127 
1 1 1  -13    9   15 o  261.422   13.048  858.074   85.178  897.692  102.915  771.916  151.770  266.640   15.523  244.899   25.175 21.74100 29.57658 
1 1 1  -13    9   16 o  117.564   10.512  174.599   30.534  198.181   42.227  148.756   44.205  124.831   13.776  107.326   17.065 17.50578 21.93119 
1 1 1  -13    9   17 o  204.657   10.388  526.373   52.914  548.774   74.306  503.327   75.369  208.374   14.368  199.359   15.255 9.014786 20.95598 
1 1 1  -13    9   18 o  171.492   10.211  369.982   43.531  364.224   60.730  376.066   62.428  169.503   14.487  172.226   14.655 -2.723297 20.60651 
1 1 1  -13    9   19 o  236.985   15.751  711.326   92.682  427.920  133.874  972.195  128.440  179.381   31.008  276.471   18.714 -97.09039 36.21738 
1 1 1  -13    9   20 o  185.794   14.701  437.593   67.652  364.367  102.399  494.311   90.121  166.829   25.380  196.703   18.567 -29.87395 31.44586 
1 1 1  -13    9   21 o  190.198   10.230  455.044   48.408  416.110   67.625  495.958   69.324  181.045   15.096  197.951   14.117 -16.90671 20.66767 
1 1 1  -13    9   22 o  176.070   10.835  390.566   47.408  418.013   66.655  362.469   67.442  181.487   14.837  168.637   16.215 12.84967 21.97870 
1 1 1  -13    9   23 o  296.940   11.729  1107.92   86.970  1072.29  122.646  1143.96  123.346  290.649   16.972  300.366   16.508 -9.717407 23.67591 
1 1 1  -13    9   24 o  238.504   11.187  714.452   66.629  710.497   93.890  718.464   94.569  236.601   15.985  237.924   16.010 -1.323151 22.62373 
1 1 1  -13    9   25 o  161.359   10.024  327.903   40.191  293.777   55.452  365.672   58.336  151.894   14.808  169.798   13.879 -17.90434 20.29523 
1 1 1  -13    9   26 o  179.031   10.354  403.620   46.093  413.901   65.686  393.646   64.696  180.541   14.697  176.006   14.858 4.534622 20.89928 
1 1 1  -13    9   27 o  214.135   13.362  579.807   71.095  489.403  135.474  614.166   83.520  192.057   29.164  219.991   15.298 -27.93401 32.93301 
1 1 1  -13    9   28 o  160.578   13.396  327.108   53.228  339.681  112.183  323.456   60.468  159.257   29.288  159.272   15.395 -0.1538086E-01 33.08736 
1 1 1  -13    9   29 o  267.602   25.155  931.427  166.125   0.0000   0.0000  931.427  166.125  ?   ?   267.602   25.155 0.000000 25.15488 
1 1 1  -13    9   30 o  311.966   19.059  1243.95  147.763  1226.41  216.557  1259.24  202.125  305.329   28.740  310.690   26.299 -5.360443 38.95700 
1 1 1  -13    9   31 o  173.361   13.383  381.396   57.489  415.742  131.432  373.270   63.929  175.320   31.162  171.113   15.117 4.206741 34.63546 
1 1 1  -13    9   32 o  138.583   14.271  245.394   48.681  286.238  122.062  237.669   53.086  143.382   34.508  135.979   15.936 7.402481 38.00963 
1 1 1  -13    9   33 o  259.327   13.721  853.344   88.541  1023.59  181.489  800.170  101.430  278.345   26.428  250.262   16.319 28.08330 31.06028 
1 1 1  -13    9   34 o  135.064   14.776  234.483   49.025  150.633  131.556  248.005   52.830  107.721   38.568  138.749   15.513 -31.02797 41.57084 
1 1 1  -13    9   35 o  249.991   17.362  806.313  107.713  822.646  187.026  798.206  131.758  243.986   31.427  246.570   21.617 -2.583939 38.14373 
1 1 1  -13    9   36 o   74.902   19.995   75.707   38.098 -13.2892  131.028   83.926   39.819   76.669   34.089   78.753   20.161 -2.084366 39.60487 
1 1 1  -13    9   37 o  146.899   14.735  279.491   53.325  436.541  159.817  259.816   56.567  168.915   38.716  140.991   16.371 27.92360 42.03545 
1 1 1  -13    9   38 o   98.258   39.499  118.695  148.322  118.695  148.322   0.0000   0.0000   98.258   39.499  ?   ?  0.000000 39.49877 
1 1 1  -13    9   39 o  194.367   14.802  491.371   71.305  286.536  186.775  526.318   77.148  127.836   45.935  200.810   15.505 -72.97352 48.48114 
1 1 1  -13    9   40 o  127.783   15.307  215.177   47.871  217.649  174.897  214.976   49.771  113.853   43.750  127.423   15.994 -13.57076 46.58143 
1 1 1  -13    9   41 f   79.159   30.352   80.026   84.070   0.0000   0.0000   80.026   84.070  ?   ?    79.159   30.352 0.000000 30.35239 
1 1 1  -13    9   42 o  185.651   14.155  451.692   65.126  647.368  218.631  432.638   68.224  183.251   47.415  181.001   15.236 2.250076 49.80235 
1 1 1  -13    9   43 o  102.657   17.403  144.487   43.020  294.595  218.113  138.411   43.882  116.141   47.454  100.005   18.244 16.13552 50.83978 
1 1 1  -13    9   44 o   41.744   16.950   12.638   27.611  139.862  229.792   10.774   27.813   95.001   43.407   41.133   16.892 53.86806 46.57753 
1 1 1  -13   10    1 o  311.557   16.637  1226.61  128.968  1119.61  182.382  1333.64  182.395  295.392   24.958  323.271   22.739 -27.87936 33.76366 
1 1 1  -13   10    2 f  197.827   9.8447  490.160   48.634  490.813   67.681  489.464   69.931  197.186   13.832  196.835   14.325 0.3508759 19.91363 
1 1 1  -13   10    3 o  295.930   11.378  1097.81   84.081  1077.27  117.974  1119.01  119.864  292.107   16.237  297.740   16.182 -5.632751 22.92398 
1 1 1  -13   10    4 o  161.211   9.6472  326.556   38.659  307.899   53.289  347.285   56.169  155.987   13.823  165.755   13.693 -9.768234 19.45693 
1 1 1  -13   10    5 o  309.148   11.554  1197.97   89.195  1115.29  125.039  1283.62  127.273  297.159   16.920  319.447   15.955 -22.28796 23.25613 
1 1 1  -13   10    6 o  200.197   9.8850  501.828   49.418  482.827   68.796  522.084   71.033  195.575   14.183  203.427   14.069 -7.852081 19.97739 
1 1 1  -13   10    7 o  289.208   11.172  1048.06   80.685  1086.59  113.682  1008.96  114.536  293.581   15.562  282.736   16.291 10.84445 22.52949 
1 1 1  -13   10    8 f  435.057   14.812  2378.11  160.917  2416.70  227.190  2339.26  227.955  437.246   20.807  430.077   21.225 7.168854 29.72285 
1 1 1  -13   10    9 o  225.663   10.099  637.704   56.913  615.904   79.488  660.636   81.525  220.965   14.486  228.904   14.334 -7.938766 20.37919 
1 1 1  -13   10   10 o  608.143   19.430  4668.92  295.076  4739.63  416.976  4597.98  417.627  609.440   27.399  600.039   27.871 9.400940 39.08325 
1 1 1  -13   10   11 o  200.706   9.9633  504.472   49.936  548.150   70.008  459.233   71.249  208.523   13.517  190.544   15.097 17.97943 20.26436 
1 1 1  -13   10   12 o  213.879   10.064  572.953   53.752  565.706   75.186  580.529   76.877  211.710   14.305  214.457   14.439 -2.747375 20.32569 
1 1 1  -13   10   13 o  344.628   12.512  1490.42  107.674  1493.95  151.705  1486.83  152.850  343.724   17.735  342.858   17.915 0.8667908 25.20827 
1 1 1  -13   10   14 o  561.106   21.176  3990.29  296.713  4339.80  513.511  3815.12  363.543  576.264   35.862  546.289   26.649 29.97491 44.67953 
1 1 1  -13   10   15 o  320.356   14.037  1290.28  112.298  1236.25  137.744  1397.39  193.924  312.453   17.727  330.510   23.652 -18.05704 29.55801 
1 1 1  -13   10   16 o  240.458   10.817  725.048   64.950  717.285   91.067  733.086   92.661  238.161   15.395  240.760   15.494 -2.599030 21.84203 
1 1 1  -13   10   17 o  135.855   10.455  232.771   35.196  218.513   48.827  248.194   50.780  130.846   15.228  139.639   14.788 -8.792496 21.22656 
1 1 1  -13   10   18 o   94.100   16.833  115.100   38.104  104.134   64.662  120.934   47.162   89.459   26.821   95.865   20.331 -6.406288 33.65612 
1 1 1  -13   10   19 o  331.704   18.255  1397.06  150.628  1115.22  215.604  1665.78  210.529  292.037   29.990  360.378   23.523 -68.34082 38.11476 
1 1 1  -13   10   20 o  194.778   14.548  480.631   70.250  441.952  105.425  511.521   94.213  184.596   23.395  199.960   19.100 -15.36386 30.20171 
1 1 1  -13   10   21 o  107.079   11.115  145.475   29.288  141.872   40.341  149.490   42.589  104.862   15.905  107.601   16.366 -2.739365 22.82117 
1 1 1  -13   10   22 o  133.205   10.224  223.892   33.749  210.566   46.962  238.125   48.532  128.372   14.928  136.711   14.434 -8.339493 20.76549 
1 1 1  -13   10   23 o  110.454   11.038  154.696   30.037  161.291   41.515  147.452   43.513  112.058   15.231  106.709   16.892 5.349075 22.74420 
1 1 1  -13   10   24 o  482.436   16.275  2942.69  196.068  2893.27  276.997  2992.31  277.568  475.250   23.340  483.497   22.989 -8.247864 32.76070 
1 1 1  -13   10   25 o  146.024   10.216  268.870   37.017  254.471   51.336  284.466   53.426  141.273   14.770  149.503   14.492 -8.229996 20.69250 
1 1 1  -13   10   26 o  306.350   12.630  1180.98   96.618  1191.97  136.698  1170.01  136.581  306.057   17.965  303.164   18.124 2.892822 25.51874 
1 1 1  -13   10   27 o  236.687   10.871  703.614   64.255  669.871   90.213  738.361   91.544  229.663   15.826  241.306   15.271 -11.64273 21.99250 
1 1 1  -13   10   28 o  211.027   13.247  563.194   69.451  646.261  138.304  535.184   80.312  222.568   25.336  205.135   15.800 17.43355 29.85823 
1 1 1  -13   10   29 o  168.773   14.999  362.646   62.557   0.0000   0.0000  362.646   62.557  ?   ?   168.773   14.999 0.000000 14.99928 
1 1 1  -13   10   30 o  238.397   25.241  741.951  147.981   0.0000   0.0000  741.951  147.981  ?   ?   238.397   25.241 0.000000 25.24114 
1 1 1  -13   10   31 o  124.032   15.150  197.450   45.948   89.666  114.534  218.125   50.162   93.185   35.499  130.322   15.732 -37.13679 38.82900 
1 1 1  -13   10   32 o  235.288   13.174  701.054   77.096  778.141  160.075  677.773   87.971  242.808   26.850  230.757   15.354 12.05130 30.92971 
1 1 1  -13   10   33 o  206.334   13.422  540.634   68.780  594.559  152.055  526.762   77.121  209.923   29.847  203.146   15.315 6.777451 33.54659 
1 1 1  -13   10   34 o  139.744   15.245  251.252   52.337  126.679  133.592  273.839   56.884  102.846   38.526  145.780   15.883 -42.93327 41.67161 
1 1 1  -13   10   35 o  180.669   13.535  416.831   60.623  532.197  152.361  395.131   66.079  195.113   32.408  175.353   15.242 19.75989 35.81298 
1 1 1  -13   10   36 o  160.029   17.728  334.350   69.654  166.181  149.936  380.632   78.657  110.465   40.926  170.417   18.796 -59.95103 45.03552 
1 1 1  -13   10   37 o  164.506   15.333  350.704   62.264   0.0000   0.0000  350.704   62.264  ?   ?   164.506   15.333 0.000000 15.33344 
1 1 1  -13   10   38 o  116.992   16.360  180.534   46.489  159.899  154.773  182.580   48.740  106.422   41.085  117.373   17.134 -10.95136 44.51438 
1 1 1  -13   10   39 o   89.931   17.785  109.404   38.526  237.466  160.052  101.528   39.693  119.883   42.581   86.171   18.961 33.71198 46.61142 
1 1 1  -13   10   40 o   95.202   17.593  122.615   40.284  182.616  171.589  119.116   41.442  108.154   42.811   93.484   18.407 14.66969 46.60096 
1 1 1  -13   10   41 o   95.312   17.812  123.658   40.836  133.839  184.996  123.136   41.868  100.056   42.495   94.890   18.333 5.165443 46.28069 
1 1 1  -13   10   42 o   99.619   32.660  156.577   93.783   0.0000   0.0000  156.577   93.783  ?   ?    99.619   32.660 0.000000 32.66050 
1 1 1  -13   10   43 o  160.833   14.777  342.449   58.683  635.095  230.240  322.117   60.688  172.384   50.341  155.281   15.874 17.10291 52.78448 
1 1 1  -13   10   44 o   55.255   19.345   39.495   32.938  195.650  230.337   36.235   33.280  101.131   45.066   53.871   19.387 47.25984 49.05924 
1 1 1  -13   11    1 f  245.021   10.415  752.738   63.724  719.363   88.909  787.996   91.381  238.534   15.002  249.751   14.717 -11.21733 21.01581 
1 1 1  -13   11    2 o  329.191   17.225  1371.50  141.104  1373.23  199.890  1369.78  199.215  327.117   24.651  326.723   24.597 0.3944397 34.82414 
1 1 1  -13   11    3 o  177.475   13.474  398.044   59.268  407.323   84.764  389.169   82.902  178.433   19.333  174.359   19.368 4.074371 27.36507 
1 1 1  -13   11    4 f  292.752   16.067  1082.74  117.012  1109.62  166.302  1056.38  164.671  294.663   22.778  287.360   23.144 7.303101 32.47247 
1 1 1  -13   11    5 o  289.917   16.077  1061.71  115.939  1032.07  164.880  1090.70  163.061  283.984   23.460  292.265   22.515 -8.281677 32.51649 
1 1 1  -13   11    6 o  159.715   9.7570  320.681   38.728  324.113   53.363  316.862   56.293  160.081   13.474  158.122   14.415 1.959274 19.73193 
1 1 1  -13   11    7 f  355.952   12.780  1590.38  113.598  1533.53  159.856  1648.38  161.460  348.063   18.458  361.470   17.887 -13.40698 25.70280 
1 1 1  -13   11    8 o  136.355   9.6509  234.004   32.649  257.516   45.377  208.765   47.013  142.658   12.876  127.986   14.994 14.67246 19.76400 
1 1 1  -13   11    9 o  439.805   14.969  2432.71  164.403  2450.88  231.933  2414.35  233.073  439.875   21.115  436.505   21.382 3.369202 30.05032 
1 1 1  -13   11   10 f  572.527   18.443  4138.42  263.684  4171.22  372.496  4105.48  373.316  571.638   26.095  566.985   26.367 4.652283 37.09612 
1 1 1  -13   11   11 f  183.535   10.106  423.294   46.139  459.673   64.208  384.451   66.347  190.814   13.563  174.116   15.419 16.69826 20.53516 
1 1 1  -13   11   12 o  181.048   9.7825  411.797   44.064  450.728   61.293  370.156   63.391  189.002   13.067  170.880   15.007 18.12216 19.89888 
1 1 1  -13   11   13 o  256.836   12.341  828.050   79.153  928.460  139.604  780.479   96.091  269.856   20.879  248.484   15.564 21.37193 26.04187 
1 1 1  -13   11   14 o  467.166   22.443  2774.98  261.819  2774.98  261.819   0.0000   0.0000  467.166   22.443  ?   ?  0.000000 22.44292 
1 1 1  -13   11   15 o  335.515   12.692  1414.10  106.340  1470.58  149.844  1356.80  150.937  340.744   17.671  327.018   18.560 13.72568 25.62639 
1 1 1  -13   11   16 o  130.566   10.530  215.150   34.041  233.483   46.869  194.681   49.524  135.511   14.055  123.147   16.521 12.36413 21.69047 
1 1 1  -13   11   17 o  129.568   14.779  214.141   46.963  191.260   74.312  229.356   60.597  120.017   25.577  133.342   18.714 -13.32465 31.69223 
1 1 1  -13   11   18 o  271.566   16.200  934.202  109.362  817.013  158.170  1041.54  151.377  251.171   25.574  285.321   21.402 -34.14978 33.34795 
1 1 1  -13   11   19 o  212.263   14.960  570.763   78.791  475.212  115.916  652.824  107.422  191.062   24.886  226.076   19.210 -35.01424 31.43750 
1 1 1  -13   11   20 o  348.250   13.264  1526.14  115.349  1632.30  162.441  1418.16  163.823  358.488   18.205  333.575   19.755 24.91293 26.86407 
1 1 1  -13   11   21 o  170.548   10.105  366.127   42.845  362.119   59.611  370.410   61.622  168.933   14.264  170.807   14.587 -1.874039 20.40188 
1 1 1  -13   11   22 o  287.850   11.591  1041.02   83.316  1013.27  117.064  1069.51  118.605  282.581   16.663  290.408   16.422 -7.827667 23.39530 
1 1 1  -13   11   23 o  167.199   10.346  352.144   42.987  311.849   59.603  395.827   62.057  156.418   15.461  176.657   14.187 -20.23865 20.98400 
1 1 1  -13   11   24 o  176.105   10.722  390.786   46.926  382.948   65.689  398.953   67.058  173.499   15.319  177.116   15.312 -3.616745 21.65939 
1 1 1  -13   11   25 o  209.235   10.988  551.331   57.209  546.766   80.444  556.003   81.375  207.459   15.643  209.202   15.691 -1.742981 22.15636 
1 1 1  -13   11   26 o  388.301   13.766  1900.27  133.485  1836.92  188.287  1964.29  189.269  379.348   19.946  393.033   19.284 -13.68497 27.74400 
1 1 1  -13   11   27 o  247.241   11.787  768.600   72.773  797.635  103.078  739.746  102.756  250.492   16.572  241.030   17.185 9.462173 23.87363 
1 1 1  -13   11   28 o  323.186   13.515  1316.51  109.076  1384.60  154.541  1248.92  153.975  329.467   18.862  312.504   19.834 16.96359 27.37061 
1 1 1  -13   11   29 o  193.982   13.154  476.309   63.342  636.837  134.387  430.460   71.820  220.988   24.779  183.798   15.801 37.19048 29.38836 
1 1 1  -13   11   30 o  169.811   27.154  382.947  111.266   0.0000   0.0000  382.947  111.266  ?   ?   169.811   27.154 0.000000 27.15374 
1 1 1  -13   11   31 o   60.535   19.657   45.475   34.002  158.836  111.099   33.760   35.715  109.434   35.532   55.755   20.081 53.67914 40.81403 
1 1 1  -13   11   32 o  104.282   16.624  141.441   41.837  226.333  115.945  128.734   44.860  127.461   35.245   98.858   18.860 28.60346 39.97369 
1 1 1  -13   11   33 o   70.351   19.493   65.433   35.427   71.584  118.661   64.831   37.119   89.541   35.552   70.169   20.133 19.37179 40.85678 
1 1 1  -13   11   34 o  101.077   17.553  134.281   42.698   81.289  127.509  140.974   45.314   92.696   36.838  103.445   18.207 -10.74846 41.09135 
1 1 1  -13   11   35 o  115.681   16.162  174.260   45.413  215.341  135.221  169.037   48.213  121.981   39.160  113.488   17.581 8.492577 42.92518 
1 1 1  -13   11   36 o  202.359   15.555  527.644   78.000  445.068  176.641  547.645   86.935  170.324   41.834  205.530   17.093 -35.20520 45.19136 
1 1 1  -13   11   37 o  141.001   41.900  314.507  158.324  314.507  158.324   0.0000   0.0000  141.001   41.900  ?   ?  0.000000 41.90010 
1 1 1  -13   11   38 o   90.962   17.719  111.240   38.802  108.646  150.272  111.426   40.163   97.059   39.492   90.837   18.338 6.221870 43.54178 
1 1 1  -13   11   39 o   96.745   17.227  125.598   40.093   26.203  155.732  132.653   41.491   84.697   37.434   99.442   17.339 -14.74527 41.25502 
1 1 1  -13   11   40 o  158.211   15.258  328.011   59.533  169.448  184.030  346.544   62.917  106.844   43.614  162.429   15.708 -55.58436 46.35653 
1 1 1  -13   11   41 o  173.665   15.193  395.872   65.225  353.177  198.174  401.059   69.074  135.501   47.449  174.322   16.048 -38.82111 50.08948 
1 1 1  -13   11   42 o   58.100   19.393   44.239   33.010   0.0000   0.0000   44.239   33.010  ?   ?    58.100   19.393 0.000000 19.39263 
1 1 1  -13   11   43 o  119.842   32.228  231.641   98.543 -16.0226  229.029  287.905  109.164   86.138   40.667  133.428   32.957 -47.29038 52.34492 
1 1 1  -13   11   44 o   62.952   19.853   55.213   34.874  141.258  228.547   53.162   35.287   96.459   43.768   62.006   20.015 34.45312 48.12720 
1 1 1  -13   12    1 o  265.298   10.714  883.256   70.980  813.070   99.049  957.348  101.767  253.329   15.735  275.171   14.865 -21.84114 21.64631 
1 1 1  -13   12    2 o  378.795   13.298  1804.96  125.792  1776.44  177.010  1834.06  178.797  373.879   19.022  380.421   18.821 -6.541565 26.75936 
1 1 1  -13   12    3 o  207.339   9.9078  538.908   51.299  538.657   71.334  539.177   73.825  206.434   13.919  206.443   14.411 -0.9170532E-02 20.03522 
1 1 1  -13   12    4 o  277.359   11.060  965.146   76.601  908.774  107.268  1023.81  109.425  267.950   16.106  284.606   15.454 -16.65671 22.32142 
1 1 1  -13   12    5 o  394.959   13.689  1961.70  135.010  1978.40  190.079  1944.69  191.800  395.259   19.258  391.282   19.692 3.977020 27.54349 
1 1 1  -13   12    6 o  387.808   19.171  1903.71  185.661  1924.96  263.441  1882.73  261.696  386.317   27.487  381.977   27.621 4.339569 38.96787 
1 1 1  -13   12    7 o  255.008   15.217  821.735   96.462  858.581  138.743  787.261  134.205  259.141   21.638  248.000   21.895 11.14096 30.78306 
1 1 1  -13   12    8 o   75.263   17.383   74.331   32.012   66.892   49.366   79.729   42.052   73.372   23.672   77.977   21.088 -4.605080 31.70290 
1 1 1  -13   12    9 o  258.848   15.247  846.550   98.121  845.895  140.506  847.174  137.086  257.100   22.100  257.456   21.520 -0.3562012 30.84631 
1 1 1  -13   12   10 o  236.540   14.936  707.062   87.774  634.071  126.091  775.685  122.260  222.062   23.075  246.661   20.022 -24.59822 30.55048 
1 1 1  -13   12   11 o  228.955   14.674  662.394   83.455  595.607  119.803  725.356  116.322  215.253   22.626  238.533   19.705 -23.27940 30.00379 
1 1 1  -13   12   12 o  124.469   14.386  197.484   43.892  144.922   65.037  241.447   59.481  104.454   25.220  137.139   17.788 -32.68504 30.86137 
1 1 1  -13   12   13 o  444.235   30.900  2565.65  340.657   0.0000   0.0000  2565.65  340.657  ?   ?   444.235   30.900 0.000000 30.90050 
1 1 1  -13   12   14 o  200.377   14.379  507.957   71.470  450.390  104.121  559.246   98.280  186.716   22.805  209.321   19.009 -22.60513 29.68855 
1 1 1  -13   12   15 o  196.755   14.296  489.884   69.760  458.719  102.382  516.891   95.308  188.585   22.163  201.086   19.214 -12.50072 29.33216 
1 1 1  -13   12   16 o  273.017   16.084  943.897  109.174  907.335  159.023  976.492  150.149  265.297   24.273  276.066   21.962 -10.76865 32.73344 
1 1 1  -13   12   17 o  192.999   13.929  471.334   66.681  555.434  100.475  405.137   89.142  208.341   19.541  177.423   20.497 30.91853 28.31894 
1 1 1  -13   12   18 o  234.674   15.270  697.532   88.997  629.287  130.237  757.317  121.897  220.504   24.042  243.296   20.247 -22.79225 31.43179 
1 1 1  -13   12   19 o  230.893   10.767  669.116   62.078  694.560   86.732  642.388   88.891  234.226   14.906  224.999   15.924 9.227264 21.81166 
1 1 1  -13   12   20 o  482.814   16.402  2946.52  197.755  2953.02  279.077  2939.96  280.264  480.392   23.264  479.252   23.418 1.140594 33.00917 
1 1 1  -13   12   21 o  197.663   10.646  491.816   52.355  510.465   73.281  472.372   74.827  200.658   14.727  192.785   15.679 7.872665 21.51091 
1 1 1  -13   12   22 o  144.830   10.242  264.503   36.802  250.121   50.670  280.561   53.540  140.072   14.705  148.450   14.633 -8.378143 20.74542 
1 1 1  -13   12   23 o  120.766   10.948  184.630   32.657  192.016   44.871  176.310   47.620  122.466   14.985  116.894   16.796 5.572044 22.50901 
1 1 1  -13   12   24 o  229.874   11.069  663.733   63.540  633.406   88.979  695.290   90.766  223.273   16.066  234.085   15.617 -10.81245 22.40570 
1 1 1  -13   12   25 o  237.317   11.000  707.402   65.189  702.207   91.485  712.760   92.914  235.226   15.664  236.963   15.792 -1.737045 22.24307 
1 1 1  -13   12   26 o  258.592   11.391  840.362   73.559  797.104  103.534  884.455  104.530  250.401   16.653  264.014   15.929 -13.61243 23.04461 
1 1 1  -13   12   27 o  174.518   11.050  384.158   47.906  371.073   66.637  398.156   68.921  170.601   15.822  176.775   15.779 -6.174255 22.34474 
1 1 1  -13   12   28 o  330.943   13.734  1381.05  113.499  1393.21  160.480  1368.89  160.542  330.195   19.550  327.218   19.740 2.976990 27.78207 
1 1 1  -13   12   29 o   92.444   13.197  109.821   29.601  102.148   40.269  118.840   43.661   87.981   18.893   95.012   19.065 -7.030228 26.84071 
1 1 1  -13   12   30 o   69.582   29.000   19.041   83.650   0.0000   0.0000   19.041   83.650  ?   ?    69.582   29.000 0.000000 28.99976 
1 1 1  -13   12   31 o  122.158   25.754  200.404   76.087  244.499  120.202  170.924   98.284  132.602   35.566  112.079   32.937 20.52312 48.47474 
1 1 1  -13   12   32 f  133.620   15.870  229.626   51.919   93.069  121.656  260.037   57.410   94.938   36.486  142.151   16.479 -47.21241 40.03502 
1 1 1  -13   12   33 o  142.333   15.273  260.058   53.436  263.393  131.961  259.404   58.442  135.996   37.599  141.738   16.841 -5.742111 41.19814 
1 1 1  -13   12   34 o   60.363   19.516   45.881   33.540  165.589  126.131   36.773   34.792  110.598   37.903   56.485   19.875 54.11326 42.79769 
1 1 1  -13   12   35 o  162.721   14.855  340.196   59.698  405.701  148.535  327.577   65.196  167.351   36.565  159.077   16.659 8.273483 40.18098 
1 1 1  -13   12   36 o  100.734   18.858  135.443   45.694   0.0000   0.0000  135.443   45.694  ?   ?   100.734   18.858 0.000000 18.85816 
1 1 1  -13   12   37 o  188.176   17.353  462.362   80.623  441.535  166.316  468.760   92.178  169.095   40.011  188.206   19.916 -19.11128 44.69344 
1 1 1  -13   12   38 o   74.254   20.123   75.322   38.245 -181.4938  141.645   95.517   39.720   61.501   29.802   83.681   19.388 -22.17998 35.55337 
1 1 1  -13   12   39 o  160.385   14.837  335.055   58.751  448.947  174.930  320.575   62.374  164.419   42.347  156.226   16.225 8.192261 45.34904 
1 1 1  -13   12   40 o  159.688   15.379  334.276   60.570  246.681  183.086  345.041   64.184  119.559   45.040  161.903   16.088 -42.34321 47.82701 
1 1 1  -13   12   41 o  123.299   16.083  201.982   48.340  236.232  187.747  199.550   50.027  115.928   45.111  122.200   16.841 -6.272606 48.15231 
1 1 1  -13   12   42 o   58.249   19.580   44.248   33.654  213.492  202.610   39.446   34.128  110.146   45.454   56.148   19.689 53.99784 49.53495 
1 1 1  -13   12   43 o   87.110   32.915  112.419   97.960   0.0000   0.0000  112.419   97.960  ?   ?    87.110   32.915 0.000000 32.91500 
1 1 1  -13   12   44 o   63.456   20.371   55.940   36.594 -56.0568  229.854   58.853   37.067   81.634   39.152   64.833   20.470 16.80035 44.17993 
1 1 1  -13   13    1 o  181.978   9.6541  416.553   43.714  404.725   60.135  429.809   63.659  178.722   13.575  184.135   13.948 -5.413071 19.46373 
1 1 1  -13   13    2 o  195.447   9.8853  480.397   48.090  470.612   66.496  491.126   69.632  192.765   13.907  196.872   14.260 -4.106842 19.91907 
1 1 1  -13   13    3 o  251.535   10.556  794.054   66.303  814.526   92.583  772.500   94.996  253.741   14.674  246.901   15.486 6.839417 21.33399 
1 1 1  -13   13    4 o  535.075   17.340  3622.92  231.692  3530.34  326.861  3716.42  328.470  524.474   24.957  538.423   24.430 -13.94983 34.92362 
1 1 1  -13   13    5 o  399.195   13.700  2005.98  136.568  1899.17  191.975  2115.42  194.319  386.174   19.976  408.396   19.054 -22.22131 27.60574 
1 1 1  -13   13    6 o  288.812   11.326  1047.17   81.683  1005.16  114.415  1090.83  116.652  281.679   16.336  293.564   15.973 -11.88525 22.84712 
1 1 1  -13   13    7 o  306.489   11.555  1179.42   88.440  1122.82  123.957  1238.10  126.219  297.684   16.743  312.774   16.216 -15.09058 23.30832 
1 1 1  -13   13    8 o  127.926   10.227  206.511   32.397  195.417   44.022  219.618   47.850  123.741   14.523  131.210   14.866 -7.469353 20.78251 
1 1 1  -13   13    9 o  208.995   10.134  547.670   52.890  530.466   73.576  566.068   76.084  204.740   14.484  211.530   14.491 -6.790054 20.48850 
1 1 1  -13   13   10 o  106.604   10.949  144.073   28.734  124.842   38.911  167.140   42.614   98.162   16.456  114.157   15.337 -15.99567 22.49478 
1 1 1  -13   13   11 o  265.307   15.714  890.815  103.643  789.838  148.281  987.271  144.924  247.411   24.314  277.918   21.038 -30.50688 32.15246 
1 1 1  -13   13   12 o  136.540   19.321  240.835   64.038   0.0000   0.0000  240.835   64.038  ?   ?   136.540   19.321 0.000000 19.32086 
1 1 1  -13   13   13 f  200.399   20.885  515.842  102.979  515.842  102.979   0.0000   0.0000  200.399   20.885  ?   ?  0.000000 20.88473 
1 1 1  -13   13   14 o  349.574   18.039  1551.02  156.938  1572.45  223.858  1530.31  220.077  349.030   25.868  344.336   25.781 4.694672 36.52155 
1 1 1  -13   13   15 o  170.039   14.038  366.525   59.075  368.529   88.972  364.944   79.002  168.803   21.602  168.600   19.101 0.2033386 28.83607 
1 1 1  -13   13   16 o  310.022   16.891  1218.76  130.278  1226.71  187.568  1211.34  181.084  308.438   24.556  306.773   23.825 1.665375 34.21421 
1 1 1  -13   13   17 o  334.403   12.806  1406.61  106.941  1476.11  150.747  1336.19  151.733  340.964   17.766  324.019   18.834 16.94449 25.89104 
1 1 1  -13   13   18 o  266.114   11.419  889.511   75.883  906.918  106.724  871.712  107.916  267.466   16.053  262.072   16.575 5.393188 23.07454 
1 1 1  -13   13   19 o  684.193   22.003  5976.97  375.940  6147.71  531.461  5805.98  531.860  686.464   31.003  666.207   31.970 20.25690 44.53353 
1 1 1  -13   13   20 o  674.653   21.782  5810.83  366.965  5887.00  518.659  5734.46  519.276  671.601   30.926  662.406   31.392 9.194458 44.06673 
1 1 1  -13   13   21 o  162.857   10.220  334.108   41.353  310.410   57.195  360.066   59.859  156.167   14.845  168.388   14.373 -12.22162 20.66277 
1 1 1  -13   13   22 o  294.046   11.880  1086.99   87.234  1105.10  122.581  1068.40  124.170  295.052   16.705  289.943   17.227 5.108978 23.99672 
1 1 1  -13   13   23 f  251.866   11.221  796.972   70.577  799.931   98.934  793.906  100.711  251.082   15.861  250.040   16.217 1.041855 22.68347 
1 1 1  -13   13   24 o  452.341   15.586  2585.62  176.058  2648.86  248.551  2521.94  249.418  455.219   21.865  443.297   22.606 11.92215 31.45007 
1 1 1  -13   13   25 f  340.015   13.317  1456.36  113.074  1515.69  159.740  1396.77  160.081  344.949   18.613  330.793   19.465 14.15625 26.93193 
1 1 1  -13   13   26 o  315.375   13.003  1252.57  102.402  1288.98  144.382  1215.73  145.259  318.114   18.252  308.680   18.936 9.433563 26.29998 
1 1 1  -13   13   27 o  123.974   11.258  194.725   34.474  190.345   47.100  199.780   50.594  121.687   15.878  124.535   16.688 -2.847481 23.03530 
1 1 1  -13   13   28 o  269.509   12.096  914.010   81.409  936.543  114.921  891.312  115.339  271.264   17.052  264.454   17.565 6.810181 24.48067 
1 1 1  -13   13   29 o  186.047   11.077  436.618   51.232  438.599   72.000  434.588   72.915  185.532   15.687  184.607   15.974 0.9244232 22.38902 
1 1 1  -13   13   30 o  147.919   15.994  280.302   58.139  317.907   69.111  189.266  107.532  157.152   17.932  117.701   34.412 39.45145 38.80407 
1 1 1  -13   13   31 o   87.567   32.109   86.220   91.895   0.0000   0.0000   86.220   91.895  ?   ?    87.567   32.109 0.000000 32.10899 
1 1 1  -13   13   32 o  197.924   14.845  499.024   72.835  313.603  147.216  559.122   83.812  148.297   39.170  209.190   16.170 -60.89314 42.37625 
1 1 1  -13   13   33 o  113.213   16.886  166.789   46.278  193.172  120.297  162.206   50.137  117.816   36.829  111.119   18.735 6.697868 41.31997 
1 1 1  -13   13   34 o  113.299   17.687  168.131   48.405   68.262  127.934  184.817   52.293   90.169   36.530  118.740   18.217 -28.57141 40.82026 
1 1 1  -13   13   35 o  200.198   14.947  513.958   74.186  603.180  165.073  491.376   83.045  207.317   32.991  194.881   17.243 12.43636 37.22485 
1 1 1  -13   13   36 o   82.301   35.572   21.385  133.928   21.385  133.928   0.0000   0.0000   82.301   35.572  ?   ?  0.000000 35.57193 
1 1 1  -13   13   37 o  148.282   15.519  285.743   56.612  347.945  158.661  276.669   60.601  148.557   41.284  145.313   17.023 3.244049 44.65609 
1 1 1  -13   13   38 o   62.918   20.337   51.658   36.424   58.998  146.857   51.177   37.598   88.638   37.759   62.896   20.683 25.74124 43.05218 
1 1 1  -13   13   39 o  200.214   14.211  519.117   70.590  898.085  190.117  458.518   76.025  248.193   31.376  186.970   16.450 61.22351 35.42663 
1 1 1  -13   13   40 o  128.760   16.462  219.799   51.719  285.717  176.598  213.615   54.091  127.192   44.776  126.391   17.617 0.8015366 48.11657 
1 1 1  -13   13   41 o   77.273   20.207   83.218   39.433  117.117  181.842   81.545   40.395   98.039   41.896   76.418   20.669 21.62044 46.71705 
1 1 1  -13   13   42 f  108.163   18.050  159.302   47.034  487.550  205.997  141.249   48.310  157.397   48.027  100.853   19.889 56.54353 51.98208 
1 1 1  -13   13   43 o   54.153   19.577   35.514   33.987 -41.6429  211.784   37.554   34.433   82.465   38.986   55.160   19.733 27.30537 43.69610 
1 1 1  -13   13   44 o   66.385   29.501   12.154   98.014   0.0000   0.0000   12.154   98.014  ?   ?    66.385   29.501 0.000000 29.50143 
1 1 1  -13   14    1 o   97.071   10.993  119.916   26.177  129.644   35.128  107.767   39.255  100.336   14.435   90.580   17.989 9.756012 23.06463 
1 1 1  -13   14    2 o  116.948   10.314  173.044   29.813  165.205   40.145  182.682   44.516  113.507   14.494  119.281   15.297 -5.774155 21.07332 
1 1 1  -13   14    3 o  276.215   10.996  958.542   75.845  904.549  105.920  1015.36  108.654  266.951   15.962  283.030   15.431 -16.07864 22.20166 
1 1 1  -13   14    4 f  261.478   10.701  858.569   69.874  817.668   97.327  902.075  100.378  253.946   15.421  266.850   15.126 -12.90434 21.60043 
1 1 1  -13   14    5 o  194.249   9.9751  474.642   48.224  457.888   66.661  493.036   69.848  190.065   14.146  197.235   14.278 -7.170685 20.09912 
1 1 1  -13   14    6 o  459.355   15.444  2664.59  177.158  2635.74  249.627  2693.86  251.462  454.237   22.007  459.256   21.926 -5.019226 31.06553 
1 1 1  -13   14    7 o  111.365   10.741  157.109   29.500  170.763   40.157  141.102   43.480  115.556   14.216  104.247   17.309 11.30916 22.39865 
1 1 1  -13   14    8 o  359.684   13.008  1627.95  116.839  1620.90  164.331  1635.16  166.154  357.039   18.495  358.567   18.620 -1.527924 26.24440 
1 1 1  -13   14    9 o  298.648   11.619  1120.50   86.655  1119.93  121.449  1121.08  123.678  297.228   16.426  297.298   16.727 -0.7015991E-01 23.44403 
1 1 1  -13   14   10 f  230.682   10.615  667.829   61.147  670.849   85.505  664.667   87.478  230.155   14.958  228.995   15.387 1.160736 21.45947 
1 1 1  -13   14   11 o  416.885   16.570  2197.01  172.496  2153.53  299.093  2218.68  211.150  406.304   29.684  417.671   20.244 -11.36728 35.93008 
1 1 1  -13   14   12 o  283.154   15.963  1015.78  112.413  1015.78  112.413   0.0000   0.0000  283.154   15.963  ?   ?  0.000000 15.96313 
1 1 1  -13   14   13 o  371.862   13.179  1740.29  122.377  1780.21  172.487  1699.84  173.654  374.691   18.435  365.461   19.094 9.230164 26.54098 
1 1 1  -13   14   14 f  255.559   10.910  819.943   69.624  775.968   96.638  867.403  100.394  247.404   15.724  261.698   15.431 -14.29385 22.03036 
1 1 1  -13   14   15 o  249.727   10.495  782.664   65.449  796.586   91.432  768.034   93.728  250.916   14.656  246.213   15.320 4.702652 21.20150 
1 1 1  -13   14   16 o  200.205   10.498  504.414   52.302  596.265   73.342  409.368   74.607  217.173   13.592  179.112   16.879 38.06084 21.67171 
1 1 1  -13   14   17 o  197.167   10.722  489.459   52.594  550.918   73.439  424.751   75.355  208.593   14.183  182.499   16.721 26.09344 21.92582 
1 1 1  -13   14   18 o  143.579   10.400  260.066   37.035  280.415   51.158  237.657   53.684  148.533   13.956  136.209   16.094 12.32341 21.30223 
1 1 1  -13   14   19 o  523.243   17.445  3468.89  227.941  3802.44  322.601  3136.35  322.114  544.466   23.727  492.370   26.293 52.09607 35.41610 
1 1 1  -13   14   20 o  243.588   11.471  745.631   69.778  800.227   97.939  689.350   99.439  251.177   15.693  232.670   17.237 18.50717 23.31075 
1 1 1  -13   14   21 o  181.174   10.198  413.233   45.953  390.639   63.543  438.005   66.535  175.360   14.645  185.794   14.454 -10.43407 20.57648 
1 1 1  -13   14   22 o  266.984   11.367  895.749   75.786  893.353  106.139  898.242  108.247  265.305   16.097  265.957   16.378 -0.6513062 22.96424 
1 1 1  -13   14   23 o  247.422   11.384  769.349   70.338  815.715   98.957  722.003   99.997  253.560   15.706  238.183   16.922 15.37683 23.08764 
1 1 1  -13   14   24 o  431.069   14.988  2346.55  161.342  2399.68  227.520  2292.80  228.829  433.572   21.014  422.970   21.738 10.60229 30.23460 
1 1 1  -13   14   25 o  250.672   11.678  790.056   73.104  801.282  102.490  778.429  104.303  251.079   16.437  247.307   16.992 3.772293 23.64136 
1 1 1  -13   14   26 o  289.252   12.931  1053.75   93.400  1073.88  131.418  1033.20  132.766  290.228   18.225  284.470   18.796 5.758698 26.18079 
1 1 1  -13   14   27 o  200.426   11.270  506.521   56.178  540.995   78.695  470.695   80.222  206.309   15.386  191.997   16.904 14.31136 22.85769 
1 1 1  -13   14   28 o  221.918   10.882  618.881   60.303  631.182   84.519  606.125   86.065  222.917   15.275  218.271   15.899 4.645401 22.04810 
1 1 1  -13   14   29 o  240.549   11.708  728.076   70.327  712.230   98.809  744.345  100.120  236.379   16.850  241.720   16.689 -5.340775 23.71555 
1 1 1  -13   14   30 o  291.059   17.543  1080.72  126.915  1131.45  167.740  1012.78  194.102  295.665   22.897  276.986   28.467 18.67911 36.53320 
1 1 1  -13   14   31 o   68.015   18.965   60.813   33.424   57.732   35.698   82.712   95.169   66.706   19.912   87.284   32.552 -20.57777 38.15963 
1 1 1  -13   14   32 o  124.194   16.866  199.740   50.953  135.358  120.650  213.716   56.212  103.932   36.964  128.219   18.056 -24.28653 41.13823 
1 1 1  -13   14   33 o  188.448   14.177  452.744   66.225  571.588  146.945  422.453   74.187  205.482   29.482  181.311   16.568 24.17107 33.81842 
1 1 1  -13   14   34 o  193.535   14.373  478.628   68.970  430.893  151.078  491.196   77.519  173.679   36.016  195.540   16.016 -21.86145 39.41614 
1 1 1  -13   14   35 o  356.570   20.396  1658.19  180.858   0.0000   0.0000  1658.19  180.858  ?   ?   356.570   20.396 0.000000 20.39620 
1 1 1  -13   14   36 o  178.878   14.896  412.212   65.934  486.548  155.877  396.014   72.764  182.691   35.446  174.535   16.907 8.155624 39.27183 
1 1 1  -13   14   37 o  187.849   15.339  456.793   71.325  365.381  164.789  477.865   79.120  151.431   42.071  191.536   16.709 -40.10490 45.26748 
1 1 1  -13   14   38 o  186.976   17.764  460.187   81.947  477.333  167.769  454.815   93.913  174.322   39.459  184.168   20.784 -9.846207 44.59777 
1 1 1  -13   14   39 o  156.756   27.525  350.932  103.815  438.175  173.744  302.489  129.468  162.077   42.430  138.510   36.804 23.56657 56.16809 
1 1 1  -13   14   40 o  132.668   16.647  233.497   53.938  263.304  177.663  230.471   56.610  122.758   44.701  131.297   17.718 -8.538986 48.08466 
1 1 1  -13   14   41 o   89.867   19.490  111.663   42.479   31.284  186.295  116.071   43.628   88.353   39.856   91.596   19.662 -3.242744 44.44170 
1 1 1  -13   14   42 o  140.701   16.183  263.524   55.826  458.345  206.829  248.215   57.978  151.394   48.413  135.809   17.503 15.58437 51.47960 
1 1 1  -13   14   43 o  101.060   18.241  140.609   44.339  216.861  218.368  137.330   45.282  108.128   46.052   99.517   18.913 8.611343 49.78418 
1 1 1  -13   14   44 o   96.070   20.284  131.186   47.135   0.0000   0.0000  131.186   47.135  ?   ?    96.070   20.284 0.000000 20.28411 
1 1 1  -13   15    1 o  321.988   17.148  1320.60  137.387  1206.73  190.434  1444.20  198.401  304.230   25.296  333.685   23.970 -29.45526 34.84848 
1 1 1  -13   15    2 o   68.566   19.819   61.368   35.851   69.879   44.129   44.844   61.488   73.410   22.191   68.476   26.028 4.934120 34.20392 
1 1 1  -13   15    3 o  225.963   10.181  641.236   57.450  590.811   79.462  696.460   83.158  215.704   14.842  234.419   14.274 -18.71495 20.59196 
1 1 1  -13   15    4 o  186.482   9.8952  437.747   45.915  449.026   63.330  425.248   66.667  188.217   13.565  182.894   14.721 5.322601 20.01828 
1 1 1  -13   15    5 o  158.564   9.8608  316.762   38.852  321.007   53.123  311.880   56.968  159.010   13.506  156.466   14.754 2.544083 20.00269 
1 1 1  -13   15    6 o  102.498   11.070  133.525   27.886  110.366   37.487  162.218   41.725   91.929   16.954  112.305   15.274 -20.37608 22.81990 
1 1 1  -13   15    7 o  150.812   9.9889  286.674   37.406  263.984   50.970  313.160   55.067  143.948   14.371  156.934   14.206 -12.98610 20.20733 
1 1 1  -13   15    8 o  448.735   15.127  2543.39  169.507  2481.17  238.869  2606.51  240.579  440.539   21.713  451.715   21.328 -11.17603 30.43571 
1 1 1  -13   15    9 o  224.072   10.347  630.262   57.895  649.493   80.535  609.695   83.286  226.477   14.314  219.176   15.313 7.300583 20.96124 
1 1 1  -13   15   10 o  117.231   10.676  173.968   30.911  166.154   42.177  183.036   45.434  113.728   15.234  119.379   15.615 -5.650810 21.81513 
1 1 1  -13   15   11 o  502.108   16.127  3188.27  202.205  3143.87  285.462  3232.99  286.463  495.319   23.079  502.427   22.832 -7.108002 32.46431 
1 1 1  -13   15   12 o  428.780   14.736  2320.10  157.781  2321.48  222.171  2318.69  224.113  426.652   20.853  426.310   21.052 0.3422241 29.63137 
1 1 1  -13   15   13 o  275.145   11.427  951.312   78.517  973.297  109.603  928.135  112.533  277.039   15.910  270.286   16.755 6.752930 23.10526 
1 1 1  -13   15   14 o  305.568   11.687  1173.67   89.179  1103.69  124.596  1247.18  127.698  294.754   17.000  313.579   16.364 -18.82507 23.59615 
1 1 1  -13   15   15 o  223.533   10.129  627.043   56.543  631.344   78.455  622.394   81.563  223.332   14.140  221.587   14.826 1.744812 20.48778 
1 1 1  -13   15   16 o  165.774   10.303  346.239   42.439  350.412   58.709  341.673   61.418  166.091   14.294  163.812   15.187 2.278641 20.85584 
1 1 1  -13   15   17 o  164.683   10.406  341.785   42.576  359.218   58.824  322.605   61.701  168.205   14.136  159.012   15.746 9.192886 21.15975 
1 1 1  -13   15   18 o  300.370   12.016  1134.66   90.132  1212.53  126.810  1055.15  128.132  309.107   16.488  287.867   17.913 21.24057 24.34612 
1 1 1  -13   15   19 o  368.605   13.500  1712.05  124.266  1794.04  175.046  1628.74  176.439  375.776   18.654  357.118   19.863 18.65814 27.24927 
1 1 1  -13   15   20 o  233.000   11.164  682.138   64.954  726.686   90.969  635.803   92.777  239.359   15.299  223.472   16.747 15.88696 22.68314 
1 1 1  -13   15   21 o  160.704   10.194  325.451   40.698  331.304   56.307  319.048   58.891  161.478   14.105  158.241   15.086 3.236755 20.65297 
1 1 1  -13   15   22 o  331.121   13.078  1380.99  108.140  1476.41  152.228  1283.78  153.647  340.609   17.961  317.007   19.504 23.60147 26.51386 
1 1 1  -13   15   23 o  328.232   12.837  1356.61  105.221  1359.72  147.601  1353.41  150.038  326.753   18.161  325.867   18.514 0.8855286 25.93442 
1 1 1  -13   15   24 o  569.587   19.031  4127.09  270.694  4319.45  382.578  3934.24  383.061  577.703   26.519  549.611   28.003 28.09216 38.56746 
1 1 1  -13   15   25 o  162.093   11.235  331.783   45.196  346.348   62.467  315.783   65.473  164.846   15.351  156.974   16.973 7.871338 22.88534 
1 1 1  -13   15   26 o  186.761   10.489  439.424   48.719  422.680   67.128  458.060   70.819  182.331   14.873  189.813   15.065 -7.482086 21.16933 
1 1 1  -13   15   27 o  135.886   11.397  233.787   38.318  222.977   52.174  246.446   56.458  131.747   16.200  138.496   16.659 -6.749176 23.23670 
1 1 1  -13   15   28 o  198.465   10.965  496.595   54.131  465.645   75.177  529.920   78.008  191.134   15.895  204.099   15.419 -12.96442 22.14493 
1 1 1  -13   15   29 o  207.732   11.244  544.309   58.111  538.689   81.439  550.139   82.944  205.595   15.988  207.747   16.114 -2.152420 22.70010 
1 1 1  -13   15   30 o  284.044   18.834  1033.48  132.833  1283.84  176.911  709.936  201.115  315.010   22.641  227.068   36.722 87.94235 43.14008 
1 1 1  -13   15   31 f  200.877   17.218  517.194   85.534  659.936  107.427  269.997  141.371  226.421   19.180  138.003   39.190 88.41823 43.63175 
1 1 1  -13   15   32 o   92.614   13.264  110.568   29.801   66.591   38.491  176.374   47.085   71.119   20.530  116.590   16.645 -45.47037 26.42970 
1 1 1  -13   15   33 o  148.968   15.269  285.079   55.999  361.538  131.255  268.064   61.918  160.432   33.828  143.738   17.619 16.69475 38.14106 
1 1 1  -13   15   34 o  138.455   16.038  247.992   54.423  243.439  138.817  248.819   59.159  129.079   39.434  138.232   17.532 -9.152588 43.15548 
1 1 1  -13   15   35 o  311.686   31.417  1345.90  241.194  1345.90  241.194   0.0000   0.0000  311.686   31.417  ?   ?  0.000000 31.41680 
1 1 1  -13   15   36 o  139.924   15.804  254.515   54.253  367.640  141.496  235.017   58.743  157.069   36.731  133.587   18.073 23.48203 40.93631 
1 1 1  -13   15   37 o  191.815   16.281  478.664   77.250  229.779  167.494  545.911   87.063  121.453   43.514  204.455   17.213 -83.00237 46.79500 
1 1 1  -13   15   38 o  103.815   18.797  145.348   46.937 -23.0909  144.478  165.224   49.630   76.961   34.872  110.936   18.571 -33.97491 39.50930 
1 1 1  -13   15   39 o  157.778   17.765  330.360   68.777  414.940  168.103  313.356   75.374  157.792   41.942  152.264   20.331 5.527176 46.61011 
1 1 1  -13   15   40 o  196.265   15.412  503.921   74.928  468.438  189.662  510.483   81.562  162.730   45.107  196.738   16.761 -34.00819 48.12091 
1 1 1  -13   15   41 o  118.696   19.076  191.850   54.628 -141.4975  177.230  226.845   57.424   71.374   34.270  129.692   18.234 -58.31745 38.81952 
1 1 1  -13   15   42 o   82.184   32.190   87.634   96.075  234.758  189.315   36.600  111.500  113.387   44.941   75.041   32.445 38.34607 55.42955 
1 1 1  -13   15   43 o  122.994   34.459  250.667  110.070  374.646  222.022  210.265  126.742  129.825   49.433  109.828   37.975 19.99642 62.33553 
1 1 1  -13   15   44 o   79.270   21.271   90.767   42.983 -109.5473  233.897   97.768   43.728   79.058   38.306   82.306   21.158 -3.248291 43.76114 
1 1 1  -13   16    1 o  220.285   10.202  609.908   56.120  598.213   77.142  623.056   81.794  217.018   14.315  221.346   14.884 -4.328964 20.65096 
1 1 1  -13   16    2 o  276.337   11.069  960.717   76.380  916.778  106.363  1007.50  109.753  268.406   15.940  281.501   15.675 -13.09491 22.35638 
1 1 1  -13   16    3 o  210.995   14.712  565.778   77.034  506.158  103.171  640.895  115.806  197.613   21.240  222.665   21.078 -25.05266 29.92377 
1 1 1  -13   16    4 o  235.449   15.340  704.661   89.699  703.849  122.197  705.610  132.085  233.459   21.191  233.078   22.993 0.3806915 31.26907 
1 1 1  -13   16    5 o  223.753   12.187  632.308   67.839  606.724  113.893  646.375   84.456  216.639   21.329  225.561   15.081 -8.921616 26.12229 
1 1 1  -13   16    6 o  147.749   10.011  275.350   36.717  243.583   49.726  313.433   54.446  138.089   14.644  156.958   14.039 -18.86922 20.28639 
1 1 1  -13   16    7 o  286.053   11.418  1029.10   81.563  1043.12  114.096  1014.45  116.641  286.572   16.008  282.409   16.613 4.163391 23.07000 
1 1 1  -13   16    8 o  193.580   10.042  471.718   48.377  462.372   66.561  482.183   70.433  190.902   14.061  194.856   14.580 -3.953873 20.25606 
1 1 1  -13   16    9 o  206.643   10.202  536.166   52.647  501.202   72.707  574.708   76.335  198.658   14.762  212.871   14.446 -14.21318 20.65381 
1 1 1  -13   16   10 o  275.026   16.568  961.592  113.259   0.0000   0.0000  961.592  113.259  ?   ?   275.026   16.568 0.000000 16.56837 
1 1 1  -13   16   11 o  639.437   29.373  5338.52  469.028  5338.52  469.028   0.0000   0.0000  639.437   29.373  ?   ?  0.000000 29.37312 
1 1 1  -13   16   12 o  302.708   11.743  1152.41   88.770  1159.57  124.254  1144.95  126.865  302.150   16.531  300.088   16.999 2.062195 23.71153 
1 1 1  -13   16   13 o   96.632   12.346  119.382   29.110  105.799   39.103  136.269   43.600   89.744   18.074  102.235   17.720 -12.49096 25.31102 
1 1 1  -13   16   14 o  188.444   10.355  447.194   48.540  466.052   67.180  426.594   70.213  191.698   14.133  183.065   15.505 8.633179 20.97962 
1 1 1  -13   16   15 o  179.495   10.284  405.799   45.904  421.287   63.302  388.622   66.664  182.234   14.018  174.683   15.441 7.550537 20.85510 
1 1 1  -13   16   16 o  170.145   10.170  364.686   43.014  389.208   59.057  336.979   62.776  175.199   13.605  162.523   15.662 12.67538 20.74588 
1 1 1  -13   16   17 o  189.836   10.332  453.791   48.795  497.669   67.574  405.984   70.534  198.211   13.737  178.444   15.999 19.76619 21.08688 
1 1 1  -13   16   18 o  278.033   11.279  971.613   78.311  973.713  109.214  969.391  112.349  277.007   15.854  276.246   16.359 0.7610779 22.78111 
1 1 1  -13   16   19 o  401.091   14.383  2030.48  144.062  2060.99  202.509  1999.23  204.983  401.498   20.264  395.152   20.847 6.345734 29.07244 
1 1 1  -13   16   20 o  173.806   10.724  380.880   46.316  420.435   64.216  337.992   66.867  181.994   14.243  162.520   16.714 19.47333 21.96007 
1 1 1  -13   16   21 o  452.406   15.103  2586.26  170.629  2567.98  240.253  2604.86  242.372  448.094   21.471  451.282   21.507 -3.188141 30.39005 
1 1 1  -13   16   22 o  189.952   10.947  454.840   51.708  531.063   71.894  373.163   74.422  204.682   14.153  170.594   17.729 34.08759 22.68497 
1 1 1  -13   16   23 o  440.674   15.626  2456.14  171.959  2725.67  243.280  2187.02  243.093  461.799   21.096  411.777   23.741 50.02185 31.76001 
1 1 1  -13   16   24 o  236.714   11.485  704.575   67.887  747.385   94.781  659.476   97.282  242.567   15.732  227.390   17.261 15.17728 23.35464 
1 1 1  -13   16   25 o  210.049   11.491  556.455   60.045  578.987   83.488  532.312   86.421  213.342   15.783  204.180   17.107 9.161957 23.27568 
1 1 1  -13   16   26 o  232.462   11.602  679.732   67.349  746.602   94.308  610.135   96.212  242.411   15.663  218.471   17.790 23.94017 23.70261 
1 1 1  -13   16   27 o  243.969   11.385  748.607   69.363  806.009   97.256  689.184   98.953  251.904   15.537  232.412   17.171 19.49237 23.15693 
1 1 1  -13   16   28 o  349.817   13.024  1542.96  113.769  1578.66  160.350  1506.77  161.442  351.721   18.320  343.359   18.901 8.362579 26.32267 
1 1 1  -13   16   29 o  234.585   13.225  696.497   77.155  729.253  123.402  675.474   98.860  237.671   21.008  229.892   17.348 7.779327 27.24539 
1 1 1  -13   16   30 o  204.348   17.105  534.643   86.481  655.000  108.081  320.455  144.182  225.573   19.375  150.516   38.274 75.05750 42.89835 
1 1 1  -13   16   31 o  131.810   17.009  224.678   54.679  264.191   62.492   95.634  112.934  142.847   17.913   93.606   35.348 49.24051 39.62762 
1 1 1  -13   16   32 o  205.192   11.592  532.717   59.153  505.245   82.522  561.751   84.836  198.372   16.817  209.392   16.354 -11.02043 23.45784 
1 1 1  -13   16   33 o  175.316   11.446  389.638   49.835  417.094   69.512  360.600   71.486  180.282   15.594  166.971   17.400 13.31100 23.36530 
1 1 1  -13   16   34 o  105.971   18.809  148.836   47.950  166.447  124.599  145.775   51.951  109.791   37.670  104.287   20.679 5.503456 42.97267 
1 1 1  -13   16   35 o  232.975   15.878  699.097   91.824  463.383  179.885  782.160  106.784  174.022   41.897  245.684   17.520 -71.66206 45.41255 
1 1 1  -13   16   36 o  283.263   16.159  1036.82  113.829  1007.95  218.865  1047.52  133.271  264.938   33.855  282.939   18.972 -18.00040 38.80878 
1 1 1  -13   16   37 o  151.442   17.105  301.175   63.552   90.407  150.156  347.169   70.145   94.529   39.079  162.503   17.565 -67.97427 42.84536 
1 1 1  -13   16   38 o   88.524   20.465  107.830   44.334  -1.0019  143.843  119.253   46.603   79.314   35.459   93.134   20.586 -13.81944 41.00141 
1 1 1  -13   16   39 o  187.321   18.595  467.190   85.835  327.628  179.656  508.470   97.708  136.314   45.230  194.260   20.449 -57.94594 49.63728 
1 1 1  -13   16   40 o   83.609   20.838   97.520   43.352 -56.1365  161.530  109.447   45.003   75.732   35.233   88.667   20.701 -12.93533 40.86461 
1 1 1  -13   16   41 o  143.014   16.899  272.612   59.184  396.855  185.908  258.600   62.432  145.858   45.814  138.386   18.531 7.472244 49.42039 
1 1 1  -13   16   42 o  111.693   19.282  171.719   51.836   17.764  190.219  184.069   53.875   85.901   39.340  115.695   19.329 -29.79420 43.83204 
1 1 1  -13   16   43 o   76.192   21.488   82.962   42.652  274.532  209.153   74.650   43.568  115.589   46.750   72.466   22.081 43.12277 51.70222 
1 1 1  -13   16   44 o   58.155   21.175   42.455   39.864   46.650  222.756   42.316   40.518   88.362   41.198   58.248   21.326 30.11452 46.39088 
1 1 1  -13   17    1 o  269.787   11.227  916.606   75.634  923.780  105.113  908.902  108.915  269.313   15.698  266.883   16.422 2.430786 22.71789 
1 1 1  -13   17    2 o  198.924   10.249  498.827   50.737  509.627   69.589  486.571   74.133  200.255   14.004  195.312   15.323 4.942719 20.75792 
1 1 1  -13   17    3 o  479.212   16.136  2915.91  193.102  2936.59  272.139  2894.94  274.047  476.932   22.850  473.306   23.186 3.625397 32.55334 
1 1 1  -13   17    4 o  267.345   11.038  899.323   73.688  883.943  102.438  915.817  106.079  263.592   15.632  268.230   15.908 -4.638123 22.30317 
1 1 1  -13   17    5 o  143.203   10.155  258.961   36.079  233.159   48.446  291.090   54.061  135.003   14.603  151.033   14.512 -16.03014 20.58783 
1 1 1  -13   17    6 o  118.066   16.428  180.122   47.122  194.347   59.689  156.588   76.771  121.713   20.357  107.454   28.240 14.25941 34.81297 
1 1 1  -13   17    7 o  209.826   15.376  560.346   80.007  632.210  107.960  472.794  119.162  221.643   19.711  189.300   25.886 32.34322 32.53672 
1 1 1  -13   17    8 o  163.292   11.790  337.351   47.754  301.877   77.183  359.354   60.786  152.255   20.848  167.980   14.637 -15.72479 25.47292 
1 1 1  -13   17    9 o  156.377   12.183  309.766   47.198  326.625   80.056  300.784   58.434  158.540   20.716  153.404   15.465 5.135345 25.85210 
1 1 1  -13   17   10 o  221.263   12.194  618.298   67.117  605.774   78.906  651.070  127.638  218.480   14.546  223.857   23.168 -5.376633 27.35586 
1 1 1  -13   17   11 o  615.004   19.717  4826.38  302.816  4910.07  427.676  4742.25  428.819  613.727   27.905  602.604   28.496 11.12299 39.88436 
1 1 1  -13   17   12 o  464.762   15.649  2734.01  181.620  2698.19  255.787  2770.43  257.926  458.499   22.340  464.659   22.229 -6.159729 31.51502 
1 1 1  -13   17   13 o  494.141   16.408  3094.40  202.473  3054.14  285.111  3135.35  287.583  487.195   23.435  493.697   23.327 -6.501526 33.06543 
1 1 1  -13   17   14 o  321.314   12.018  1299.37   96.427  1300.00  134.919  1298.71  137.865  319.713   16.960  319.418   17.349 0.2946472 24.26146 
1 1 1  -13   17   15 o  262.607   11.243  867.047   73.730  854.883  102.461  880.110  106.180  259.400   15.894  263.115   16.240 -3.714661 22.72325 
1 1 1  -13   17   16 o  107.778   11.664  147.787   30.891  134.744   41.237  164.466   46.632  101.817   16.805  112.655   17.114 -10.83799 23.98556 
1 1 1  -13   17   17 o  252.076   11.113  798.751   69.953  797.587   96.778  800.025  101.229  250.628   15.540  250.819   16.249 -0.1909485 22.48384 
1 1 1  -13   17   18 o   96.717   12.934  119.895   30.455  140.449   41.351   95.527   45.024  104.077   16.457   84.799   21.292 19.27876 26.91119 
1 1 1  -13   17   19 o  259.181   11.290  844.575   73.071  865.255  101.613  822.429  105.155  261.053   15.660  254.210   16.657 6.843872 22.86205 
1 1 1  -13   17   20 o  206.230   10.435  535.533   53.567  540.111   73.643  530.390   78.059  206.340   14.382  204.226   15.420 2.113647 21.08579 
1 1 1  -13   17   21 o  216.031   10.792  586.406   58.220  626.042   80.497  542.932   84.305  222.172   14.590  206.372   16.497 15.79985 22.02307 
1 1 1  -13   17   22 o  235.537   10.876  697.172   63.971  659.999   88.363  738.113   92.733  227.881   15.622  241.083   15.485 -13.20174 21.99656 
1 1 1  -13   17   23 o  158.520   11.140  317.418   43.820  302.888   60.082  333.930   64.049  153.909   15.860  161.628   16.082 -7.718842 22.58691 
1 1 1  -13   17   24 o  129.883   11.645  213.880   37.369  203.727   50.594  226.067   55.432  125.762   16.509  132.430   17.166 -6.667976 23.81618 
1 1 1  -13   17   25 o  333.194   13.201  1399.76  109.838  1501.19  154.655  1296.52  156.021  343.138   18.113  318.201   19.732 24.93710 26.78506 
1 1 1  -13   17   26 o  469.062   16.221  2788.57  189.997  2983.28  268.471  2593.20  268.922  481.982   22.306  447.726   24.142 34.25577 32.86909 
1 1 1  -13   17   27 o  187.006   11.238  441.428   52.239  469.610   71.937  409.988   75.982  192.083   15.119  178.877   17.223 13.20599 22.91784 
1 1 1  -13   17   28 o  217.915   11.784  599.601   63.887  628.550   89.241  569.169   91.500  222.046   16.206  210.866   17.536 11.18031 23.87762 
1 1 1  -13   17   29 o   97.950   14.203  123.743   33.727  116.286   45.761  132.609   49.901   93.598   20.173   99.977   20.670 -6.379280 28.88286 
1 1 1  -13   17   30 o  250.276   17.951  802.926  111.446  955.382  143.316  569.713  177.255  271.730   21.291  202.398   36.409 69.33250 42.17741 
1 1 1  -13   17   31 o  109.153   15.967  154.536   42.236  158.914   45.594  128.051  112.130  110.433   17.085  100.831   35.659 9.601814 39.54053 
1 1 1  -13   17   32 o  204.261   11.651  528.327   59.185  574.676   82.449  479.053   85.011  211.886   15.694  192.637   17.876 19.24916 23.78739 
1 1 1  -13   17   33 o  183.960   12.569  430.473   57.395  423.167   86.791  436.151   76.513  180.042   19.622  183.845   16.854 -3.803116 25.86635 
1 1 1  -13   17   34 o  205.377   17.022  545.442   86.514  545.442   86.514   0.0000   0.0000  205.377   17.022  ?   ?  0.000000 17.02224 
1 1 1  -13   17   35 o  166.509   15.254  358.043   62.722  461.984  146.589  334.750   69.396  178.914   34.054  160.062   17.656 18.85251 38.35885 
1 1 1  -13   17   36 o  171.878   16.201  384.249   68.716  318.242  151.536  401.336   77.098  142.453   40.617  174.933   17.901 -32.47983 44.38646 
1 1 1  -13   17   37 o  161.591   16.205  341.257   64.511  246.180  152.050  362.129   71.241  124.131   41.620  165.924   17.456 -41.79344 45.13190 
1 1 1  -13   17   38 o  136.558   16.741  246.236   55.893  188.643  149.369  255.613   60.271  110.581   40.872  138.683   17.816 -28.10129 44.58612 
1 1 1  -13   17   39 o   87.091   21.903  106.203   47.589  103.836  153.545  106.454   50.054   94.647   39.355   86.947   22.780 7.700302 45.47216 
1 1 1  -13   17   40 o   81.854   22.407   94.466   47.138 -13.0123  161.059  104.535   49.297   79.826   36.421   85.960   22.648 -6.134018 42.88881 
1 1 1  -13   17   41 o   95.222   21.048  127.134   48.718   23.325  175.889  135.760   50.701   85.397   38.605   98.374   21.259 -12.97723 44.07197 
1 1 1  -13   17   42 o  100.037   21.123  141.088   51.113 -200.3342  186.211  168.909   53.155   68.233   33.311  110.284   20.039 -42.05079 38.87426 
1 1 1  -13   17   43 o  166.596   17.074  373.742   70.027  343.971  214.021  377.311   74.106  125.052   48.303  166.665   18.096 -41.61338 51.58134 
1 1 1  -13   17   44 o   64.907   21.857   58.307   41.936  112.350  222.345   56.314   42.703   93.622   42.746   64.164   22.051 29.45825 48.09820 
1 1 1  -13   18    1 o   98.074   11.932  123.068   28.620  105.924   37.214  147.889   44.776   89.717   17.237  106.362   17.465 -16.64527 24.53818 
1 1 1  -13   18    2 o   94.498   12.148  114.456   28.003  129.332   36.616   93.497   43.462   99.892   15.154   83.648   20.874 16.24448 25.79487 
1 1 1  -13   18    3 o  176.137   10.067  391.334   44.096  385.489   59.896  398.250   65.158  174.014   13.900  176.637   14.911 -2.622910 20.38500 
1 1 1  -13   18    4 o  161.121   10.222  327.719   40.913  364.694   55.826  284.816   60.135  169.386   13.305  148.814   16.457 20.57170 21.16291 
1 1 1  -13   18    5 o  224.799   10.440  635.543   58.604  619.402   80.660  653.592   85.291  220.674   14.722  226.584   15.161 -5.909515 21.13271 
1 1 1  -13   18    6 o  152.173   10.132  292.328   38.282  281.822   51.690  305.091   56.973  148.637   14.095  154.504   14.954 -5.867599 20.54915 
1 1 1  -13   18    7 o  205.261   10.399  531.029   53.130  557.260   73.239  501.892   77.190  209.481   14.082  198.339   15.713 11.14194 21.10036 
1 1 1  -13   18    8 o  307.830   11.992  1193.85   92.186  1154.07  128.584  1235.92  132.235  300.779   17.191  311.337   17.074 -10.55869 24.22871 
1 1 1  -13   18    9 o  128.176   16.288  211.659   50.959  199.112   63.557  234.241   85.269  122.893   21.493  131.924   26.797 -9.030502 34.35173 
1 1 1  -13   18   10 o  209.828   15.314  560.408   79.687  524.137  102.874  614.818  125.997  201.276   20.766  217.096   23.622 -15.82019 31.45210 
1 1 1  -13   18   11 o  328.826   18.037  1380.34  147.544  1408.15  203.068  1349.24  214.737  328.909   24.909  320.748   27.062 8.161163 36.78056 
1 1 1  -13   18   12 o  156.842   10.273  310.372   40.012  304.382   54.602  317.319   58.802  154.560   14.309  157.656   15.121 -3.095459 20.81848 
1 1 1  -13   18   13 o  492.181   16.346  3072.22  200.906  3011.52  282.721  3134.14  285.547  483.367   23.422  493.268   23.182 -9.900940 32.95448 
1 1 1  -13   18   14 o  177.319   10.563  396.513   46.559  384.667   63.737  410.066   68.175  173.802   14.827  179.361   15.370 -5.558395 21.35582 
1 1 1  -13   18   15 o  201.771   10.571  512.985   53.079  497.778   72.754  530.290   77.612  197.876   14.832  204.146   15.336 -6.270203 21.33489 
1 1 1  -13   18   16 o  141.950   10.943  254.796   38.490  240.626   52.582  271.153   56.496  137.009   15.650  145.505   15.802 -8.496643 22.24019 
1 1 1  -13   18   17 o  219.010   10.866  602.940   59.429  620.321   81.708  583.418   86.595  221.013   14.891  213.939   16.332 7.073761 22.10188 
1 1 1  -13   18   18 o  308.958   12.109  1201.81   93.425  1165.01  129.479  1241.77  134.936  302.450   17.214  312.228   17.375 -9.777557 24.45886 
1 1 1  -13   18   19 o  229.580   10.626  662.314   60.919  654.331   84.176  671.093   88.274  227.018   14.932  229.781   15.474 -2.762726 21.50359 
1 1 1  -13   18   20 o  176.360   10.846  392.380   47.532  412.494   65.494  369.995   69.092  180.085   14.692  170.080   16.474 10.00490 22.07367 
1 1 1  -13   18   21 o  205.386   10.973  531.776   56.077  556.653   77.020  503.712   81.805  209.338   14.829  198.635   16.645 10.70338 22.29308 
1 1 1  -13   18   22 f  234.332   10.997  690.340   64.351  678.879   88.469  703.217   93.774  231.125   15.417  235.073   16.071 -3.948013 22.26987 
1 1 1  -13   18   23 o  101.106   12.830  130.841   31.664  145.785   42.398  111.994   47.613  106.022   16.555   91.769   21.203 14.25394 26.90037 
1 1 1  -13   18   24 o  199.553   11.273  502.424   55.946  539.435   77.261  461.624   81.118  205.961   15.128  189.898   17.295 16.06303 22.97783 
1 1 1  -13   18   25 o  387.720   14.672  1900.72  142.058  2103.17  200.122  1695.09  201.689  405.793   19.749  362.522   22.389 43.27023 29.85406 
1 1 1  -13   18   26 o  312.497   13.194  1232.00  102.960  1279.63  144.219  1182.50  147.036  316.472   18.327  303.730   19.489 12.74133 26.75265 
1 1 1  -13   18   27 o  256.933   12.030  831.577   77.186  903.102  108.284  757.695  110.054  266.283   16.364  243.222   18.253 23.06070 24.51388 
1 1 1  -13   18   28 o  185.124   12.694  434.269   58.329  497.339   89.143  387.049   77.132  196.673   18.363  173.385   18.081 23.28850 25.77034 
1 1 1  -13   18   29 o  258.012   17.901  852.908  114.624  976.172  147.381  664.207  182.352  274.529   21.675  220.109   34.293 54.41902 40.56839 
1 1 1  -13   18   30 o  259.016   18.128  861.384  116.515  1003.26  149.795  644.064  185.394  277.996   21.751  215.326   35.731 62.67075 41.83104 
1 1 1  -13   18   31 o  204.584   13.744  532.628   69.810  556.257   79.834  455.858  143.899  208.587   15.436  181.299   33.000 27.28778 36.43187 
1 1 1  -13   18   32 o  117.843   17.973  181.949   51.216  242.484  126.791  170.146   55.987  129.648   37.213  113.089   20.583 16.55949 42.52647 
1 1 1  -13   18   33 o   68.456   19.151   62.369   34.022   70.180   35.546 -22.9031  117.453   72.404   19.306   72.102   32.152 0.3019257 37.50318 
1 1 1  -13   18   34 o  193.244   11.550  474.579   55.484  474.855   76.676  474.276   80.386  191.710   16.167  191.253   17.009 0.4570007 23.46671 
1 1 1  -13   18   35 o  134.565   11.706  231.471   38.945  178.761   51.702  300.605   59.211  116.038   18.461  152.140   15.816 -36.10214 24.30962 
1 1 1  -13   18   36 o  109.558   19.242  161.264   50.722   68.295  133.662  176.904   54.823   88.329   36.722  114.615   19.875 -26.28681 41.75553 
1 1 1  -13   18   37 o  119.033   18.308  189.378   52.675  182.480  142.599  190.467   56.685  109.882   40.042  118.745   19.814 -8.862823 44.67668 
1 1 1  -13   18   38 o  143.578   17.698  273.966   62.111  236.357  161.731  280.473   67.270  119.554   42.767  144.598   19.097 -25.04405 46.83717 
1 1 1  -13   18   39 o  117.563   19.513  187.998   55.277  391.808  159.803  160.298   58.913  152.822   41.017  106.851   22.775 45.97051 46.91582 
1 1 1  -13   18   40 o   89.498   21.960  112.979   48.710  137.039  159.305  110.498   51.161   99.164   40.540   88.154   22.999 11.01031 46.60959 
1 1 1  -13   18   41 o   95.704   20.671  128.198   47.957  145.055  172.123  126.779   49.935   99.994   41.630   94.749   21.586 5.245010 46.89391 
1 1 1  -13   18   42 o   49.367   19.904   19.333   37.782   79.493  184.861   16.711   38.597   91.015   40.478   48.840   19.959 42.17557 45.13173 
1 1 1  -13   18   43 o  194.930   16.921  510.731   81.551  505.322  228.838  511.517   87.281  148.212   51.039  193.993   18.231 -45.78098 54.19767 
1 1 1  -13   19    1 o  108.021   11.783  148.956   31.269  127.289   40.893  179.459   48.520   98.485   17.257  117.427   17.044 -18.94221 24.25472 
1 1 1  -13   19    2 o  209.470   14.187  558.648   73.774  545.141  103.171  572.781  105.533  204.807   20.446  210.005   20.380 -5.198029 28.86844 
1 1 1  -13   19    3 o  172.511   10.340  375.833   44.340  382.997   59.775  367.069   66.116  173.367   13.925  169.200   15.832 4.166931 21.08418 
1 1 1  -13   19    4 o   58.373   16.022   44.699   24.064   49.878   30.959   36.794   38.248   62.032   18.550   57.762   20.784 4.269989 27.85773 
1 1 1  -13   19    5 o  170.596   10.275  367.382   43.569  388.326   59.281  342.779   64.251  174.685   13.699  163.496   15.940 11.18925 21.01788 
1 1 1  -13   19    6 o   84.676   13.229   92.691   27.058   59.830   34.981  141.637   42.693   67.583   19.590  104.205   16.992 -36.62198 25.93240 
1 1 1  -13   19    7 o  268.111   11.386  905.440   76.232  966.157  106.040  840.500  109.667  275.525   15.475  256.335   17.232 19.18997 23.16079 
1 1 1  -13   19    8 o  155.153   15.728  308.489   60.093   0.0000   0.0000  308.489   60.093  ?   ?   155.153   15.728 0.000000 15.72751 
1 1 1  -13   19    9 o  215.896   14.557  592.633   78.025  592.633   78.025   0.0000   0.0000  215.896   14.557  ?   ?  0.000000 14.55739 
1 1 1  -13   19   10 o  258.422   11.055  840.418   71.344  831.824   98.759  849.799  103.177  255.673   15.542  258.261   16.078 -2.588715 22.36196 
1 1 1  -13   19   11 o  135.057   10.758  230.849   35.981  225.992   48.245  236.937   54.010  132.826   14.797  135.697   16.263 -2.871445 21.98679 
1 1 1  -13   19   12 o  198.147   15.157  500.073   74.429  472.286   96.827  540.206  116.364  190.927   20.637  203.359   23.337 -12.43239 31.15250 
1 1 1  -13   19   13 o  137.377   16.502  242.871   55.480  237.552   67.635  253.812   96.998  134.697   20.776  136.637   29.307 -1.939255 35.92379 
1 1 1  -13   19   14 o  412.088   21.006  2182.97  215.449  2211.47  298.184  2151.85  311.645  409.253   29.372  402.229   31.273 7.023529 42.90349 
1 1 1  -13   19   15 o  304.981   17.653  1187.09  133.867  1217.31  181.133  1150.72  198.721  306.140   23.882  295.916   27.196 10.22421 36.19402 
1 1 1  -13   19   16 o  216.275   12.532  591.476   67.392  640.752  109.329  561.279   85.585  223.086   19.832  209.695   16.477 13.39076 25.78348 
1 1 1  -13   19   17 o   98.860   13.116  125.372   31.580  146.498   42.419   99.104   47.301  106.261   16.523   86.226   21.920 20.03471 27.44963 
1 1 1  -13   19   18 o  166.813   10.750  351.253   44.544  350.417   60.296  352.258   66.091  165.832   14.713  165.932   16.155 -0.9910583E-01 21.85077 
1 1 1  -13   19   19 o  212.370   10.907  568.567   57.648  522.557   78.263  623.141   85.236  202.545   15.593  221.301   15.522 -18.75630 22.00172 
1 1 1  -13   19   20 o  170.454   10.747  366.676   45.512  356.777   61.491  378.668   67.679  167.311   14.873  172.156   15.923 -4.845886 21.78874 
1 1 1  -13   19   21 o  141.705   11.694  254.434   41.010  303.803   55.783  196.370   60.496  154.337   14.649  122.348   20.528 31.98978 25.21905 
1 1 1  -13   19   22 o  249.295   11.394  781.987   70.929  776.778   97.828  787.760  102.987  247.066   15.941  248.591   16.687 -1.524704 23.07754 
1 1 1  -13   19   23 o  113.664   12.493  164.730   34.874  158.595   46.213  172.845   53.150  110.454   17.324  114.945   19.194 -4.490623 25.85580 
1 1 1  -13   19   24 o  274.883   12.038  951.765   82.635  993.911  114.467  905.896  119.416  279.377   16.480  266.147   18.075 13.22980 24.46011 
1 1 1  -13   19   25 o  287.793   12.912  1044.79   92.794  1072.23  129.749  1016.05  132.764  289.627   18.029  281.548   18.994 8.078796 26.18842 
1 1 1  -13   19   26 o  393.576   16.280  1966.44  160.007  1953.91  267.768  1973.40  199.553  385.286   28.023  391.919   20.461 -6.632782 34.69740 
1 1 1  -13   19   27 o  371.661   21.744  1783.35  200.924  2149.49  273.355  1353.06  296.334  404.469   27.222  312.530   38.805 91.93912 47.40129 
1 1 1  -13   19   28 o  298.552   19.174  1145.14  142.196  1321.21  186.559  901.038  219.662  318.508   23.624  256.212   35.267 62.29654 42.44834 
1 1 1  -13   19   29 o  331.291   20.121  1415.23  165.672  1631.29  221.069  1138.42  250.223  352.613   25.274  287.469   35.619 65.14420 43.67499 
1 1 1  -13   19   30 o  227.801   14.432  660.956   81.672  728.372   94.900  468.437  160.370  238.646   16.017  181.955   36.563 56.69147 39.91787 
1 1 1  -13   19   31 o  236.312   11.461  705.083   67.635  746.228   93.903  660.725   97.500  241.478   15.657  226.523   17.368 14.95528 23.38360 
1 1 1  -13   19   32 o  201.855   12.961  518.805   64.987  538.718   98.958  503.705   86.174  203.166   19.755  197.250   17.683 5.916199 26.51292 
1 1 1  -13   19   33 o  210.325   11.786  562.003   61.653  591.458   85.011  529.320   89.548  214.257   16.004  201.818   17.956 12.43887 24.05304 
1 1 1  -13   19   34 o  393.429   14.981  1982.86  147.179  2088.21  207.486  1876.17  208.804  398.516   20.923  376.392   22.315 22.12384 30.58918 
1 1 1  -13   19   35 o  121.698   12.185  190.224   36.533  181.474   48.086  202.170   56.185  117.353   16.896  123.236   18.857 -5.882675 25.31890 
1 1 1  -13   19   36 o  164.618   11.943  346.967   48.760  374.952   67.184  315.821   70.878  169.511   16.063  154.226   18.792 15.28517 24.72187 
1 1 1  -13   19   37 o  141.612   16.659  264.383   57.785  308.147  141.298  255.594   63.322  138.390   39.138  138.216   18.837 0.1731720 43.43505 
1 1 1  -13   19   38 o  152.242   16.658  306.116   62.296  259.189  152.096  315.576   68.287  124.214   41.626  153.851   18.122 -29.63651 45.39962 
1 1 1  -13   19   39 o  125.737   18.031  212.478   54.994  290.435  157.864  201.711   58.669  129.284   42.374  121.479   20.039 7.804901 46.87311 
1 1 1  -13   19   40 o   73.973   22.719   76.442   46.009  161.946  158.861   68.613   48.069  102.744   41.027   70.887   23.390 31.85635 47.22615 
1 1 1  -13   19   41 o   99.268   21.461  139.075   51.649  321.721  180.268  122.741   53.909  129.486   45.260   92.291   23.368 37.19485 50.93622 
1 1 1  -13   19   42 o  110.899   19.670  170.856   52.480  225.450  188.017  166.243   54.652  109.842   44.360  108.681   20.896 1.161095 49.03521 
1 1 1  -13   19   43 o  224.488   16.965  677.979   94.404  941.901  247.338  632.974  102.136  220.824   46.331  214.685   19.256 6.138504 50.17348 
1 1 1  -13   20    1 o  332.602   12.654  1400.06  105.101  1417.05  146.284  1381.93  151.104  332.052   17.706  327.444   18.556 4.607880 25.64765 
1 1 1  -13   20    2 o  389.716   13.879  1926.40  135.066  1886.35  188.826  1968.36  193.275  382.070   19.860  390.281   19.897 -8.211090 28.11221 
1 1 1  -13   20    3 o  183.313   10.241  424.369   46.690  374.751   62.357  487.685   70.439  171.168   14.732  195.479   14.534 -24.31030 20.69459 
1 1 1  -13   20    4 o   93.891   16.611  115.552   37.522   91.513   50.601  144.918   55.926   82.700   23.433  103.928   22.222 -21.22820 32.29432 
1 1 1  -13   20    5 o  158.775   12.700  320.563   49.931  351.867   78.976  299.718   64.446  164.433   19.621  152.322   17.246 12.11078 26.12309 
1 1 1  -13   20    6 o   90.648   13.034  105.925   28.655   94.941   37.492  121.353   44.435   84.610   18.279   95.678   19.264 -11.06815 26.55623 
1 1 1  -13   20    7 o  176.332   16.011  398.478   69.732   0.0000   0.0000  398.478   69.732  ?   ?   176.332   16.011 0.000000 16.01059 
1 1 1  -13   20    8 o   87.750   16.105  100.836   33.991  101.206   37.023   98.851   85.763   87.604   17.536   89.466   31.221 -1.862022 35.80838 
1 1 1  -13   20    9 o  134.269   10.815  228.364   35.953  215.709   47.925  244.655   54.375  129.582   15.093  137.857   16.098 -8.275742 22.06714 
1 1 1  -13   20   10 o  208.750   10.772  549.840   55.961  580.841   76.321  513.793   82.300  213.713   14.385  200.324   16.601 13.38824 21.96640 
1 1 1  -13   20   11 o  184.793   10.630  431.009   48.848  474.908   66.495  379.547   71.996  193.300   13.868  171.896   16.995 21.40346 21.93477 
1 1 1  -13   20   12 o  169.876   10.559  364.354   44.569  353.597   59.951  377.644   66.638  166.506   14.565  171.830   15.704 -5.323822 21.41816 
1 1 1  -13   20   13 o  408.823   14.186  2114.39  144.821  2085.68  202.684  2144.33  207.000  403.389   20.121  408.943   20.270 -5.553528 28.56093 
1 1 1  -13   20   14 o  468.661   15.686  2786.20  183.575  2782.97  257.847  2789.52  261.418  464.732   22.218  465.089   22.509 -0.3568115 31.62733 
1 1 1  -13   20   15 o  139.218   11.332  245.567   39.054  209.718   51.640  293.466   59.691  127.460   16.620  151.257   16.048 -23.79737 23.10319 
1 1 1  -13   20   16 o  194.364   13.111  478.932   63.266  473.714   72.828  494.984  127.726  192.785   15.252  192.975   27.264 -0.1902771 31.24051 
1 1 1  -13   20   17 o  386.000   19.609  1910.05  188.396  1762.69  254.857  2087.60  279.743  365.790   28.116  398.078   28.326 -32.28732 39.91068 
1 1 1  -13   20   18 o  436.371   20.466  2440.18  223.019  2113.17  305.167  2815.02  326.730  398.621   30.898  462.476   28.429 -63.85547 41.98685 
1 1 1  -13   20   19 o  316.098   17.933  1276.53  140.971  1246.20  187.939  1315.55  213.159  309.283   24.535  316.310   27.252 -7.027710 36.66953 
1 1 1  -13   20   20 o  334.625   19.058  1434.20  158.596  1494.41  212.416  1358.35  238.405  338.397   25.320  319.636   30.227 18.76080 39.43090 
1 1 1  -13   20   21 o  231.802   16.852  686.248   96.881  746.278  123.681  590.925  155.853  240.408   20.807  209.638   30.679 30.76979 37.06929 
1 1 1  -13   20   22 o  145.338   17.196  272.176   61.200  310.528   71.592  168.077  117.949  154.898   18.900  112.114   36.621 42.78351 41.21091 
1 1 1  -13   20   23 o  241.022   17.242  742.580  103.088  822.551  131.521  615.177  166.005  252.327   21.065  213.150   32.191 39.17632 38.47078 
1 1 1  -13   20   24 o  252.929   17.211  817.518  108.058  851.574  137.278  762.050  175.199  256.492   21.635  238.663   30.064 17.82870 37.03882 
1 1 1  -13   20   25 o  173.979   16.711  388.179   71.707  400.169   83.958  355.850  137.864  175.866   19.443  159.653   35.499 16.21318 40.47437 
1 1 1  -13   20   26 o  293.060   18.819  1102.16  136.991  1249.57  179.508  896.580  211.987  309.904   23.368  256.490   33.930 53.41409 41.19806 
1 1 1  -13   20   27 o  273.415   18.138  958.844  123.134  1041.15  157.921  831.206  196.659  282.959   22.536  247.277   32.646 35.68163 39.66908 
1 1 1  -13   20   28 o  157.846   17.560  321.809   68.042  378.965   78.470  148.608  136.599  171.090   18.670  108.535   39.246 62.55511 43.46019 
1 1 1  -13   20   29 o  211.206   14.128  568.153   74.084  595.478   84.205  474.542  155.853  215.744   15.738  183.813   35.236 31.93091 38.59108 
1 1 1  -13   20   30 f  247.211   12.532  775.224   77.113  834.596  106.842  710.666  111.410  254.929   16.879  234.183   19.220 20.74577 25.57953 
1 1 1  -13   20   31 o  201.627   14.312  519.769   71.595  616.635  144.362  488.173   82.449  213.278   27.764  194.376   17.162 18.90234 32.63995 
1 1 1  -13   20   32 o  130.725   17.027  223.044   54.264  223.044   54.264   0.0000   0.0000  130.725   17.027  ?   ?  0.000000 17.02682 
1 1 1  -13   20   33 o  414.170   15.277  2198.43  158.001  2371.44  222.437  2022.24  224.472  425.369   20.941  390.217   23.139 35.15140 31.20787 
1 1 1  -13   20   34 o  345.784   13.571  1527.36  117.185  1619.52  164.793  1433.09  166.673  351.987   18.816  329.817   20.336 22.17078 27.70572 
1 1 1  -13   20   35 f  106.942   13.275  148.344   34.689  167.462   45.709  122.376   53.271  112.550   16.776   93.889   22.921 18.66092 28.40376 
1 1 1  -13   20   36 o   51.439   16.200   34.185   23.227   13.817   28.108   78.043   41.246   43.280   17.265   75.349   21.088 -32.06843 27.25472 
1 1 1  -13   20   37 o  171.874   12.057  379.447   51.421  438.038   71.104  315.208   74.451  183.001   15.712  152.874   19.980 30.12666 25.41795 
1 1 1  -13   20   38 o  232.696   16.445  711.620   94.943  707.292  198.859  712.898  108.054  209.523   39.455  231.091   18.890 -21.56828 43.74326 
1 1 1  -13   20   39 o  101.405   20.951  143.131   51.298  135.930  149.308  144.095   54.623   98.187   39.574  101.156   22.230 -2.968704 45.39005 
1 1 1  -13   20   40 o   85.982   23.184  105.897   50.915 -68.1172  156.525  126.488   53.843   72.500   34.039   94.003   23.101 -21.50311 41.13762 
1 1 1  -13   20   41 f   74.802   22.583   79.417   45.723   55.816  168.551   81.292   47.504   86.660   38.589   75.578   23.064 11.08176 44.95622 
1 1 1  -13   20   42 o   63.805   22.260   54.069   43.597  131.914  184.190   49.449   44.872   95.929   41.589   62.238   22.495 33.69069 47.28296 
1 1 1  -13   20   43 o  197.336   17.175  526.807   83.793  696.054  227.762  500.314   90.113  181.214   49.107  190.482   19.207 -9.267868 52.72971 
1 1 1  -13   21    1 o   49.988   17.327   29.208   26.393   21.099   34.002   41.500   41.863   49.552   19.221   60.529   21.747 -10.97711 29.02417 
1 1 1  -13   21    2 o  156.394   10.855  310.077   42.130  344.573   56.177  265.740   63.688  164.158   13.833  142.690   18.295 21.46754 22.93598 
1 1 1  -13   21    3 o  128.525   11.129  209.990   35.367  188.877   46.208  239.854   54.956  120.756   15.694  136.066   16.512 -15.30938 22.78072 
1 1 1  -13   21    4 o  317.013   12.062  1270.25   95.484  1260.75  132.056  1280.66  138.224  313.559   16.928  315.696   17.603 -2.136932 24.42190 
1 1 1  -13   21    5 o  180.695   10.817  413.021   48.585  456.108   65.571  360.568   72.348  189.122   13.983  166.965   17.618 22.15723 22.49282 
1 1 1  -13   21    6 o  363.270   18.751  1698.13  169.516  1649.83  239.338  1746.75  240.128  352.185   27.430  363.027   26.675 -10.84192 38.26198 
1 1 1  -13   21    7 o  178.377   14.387  406.178   63.539  276.997   88.451  543.914   91.333  143.459   25.631  205.413   17.986 -61.95375 31.31212 
1 1 1  -13   21    8 o  104.280   12.799  139.449   32.630  137.966   42.052  141.693   51.727  102.723   16.987  103.129   20.803 -0.4055328 26.85770 
1 1 1  -13   21    9 o  164.961   10.720  344.091   43.922  366.904   58.974  315.676   65.817  169.620   14.050  156.429   17.129 13.19038 22.15371 
1 1 1  -13   21   10 o  125.841   11.338  201.160   35.247  190.820   46.450  215.197   54.120  121.588   15.662  128.816   17.258 -7.228409 23.30551 
1 1 1  -13   21   11 o  183.550   10.699  425.533   48.828  428.942   66.101  421.437   72.441  183.404   14.552  181.342   16.166 2.062546 21.75126 
1 1 1  -13   21   12 o  135.351   11.269  232.349   37.742  222.216   49.633  246.243   58.115  131.452   15.413  137.985   17.242 -6.533188 23.12674 
1 1 1  -13   21   13 o  162.918   10.761  335.509   43.533  302.821   58.122  377.279   65.702  153.747   15.343  171.731   15.487 -17.98398 21.80093 
1 1 1  -13   21   14 o  376.723   13.780  1795.24  129.637  1892.44  181.377  1693.73  185.357  384.608   18.885  362.523   20.560 22.08453 27.91655 
1 1 1  -13   21   15 o  518.579   16.764  3422.23  217.090  3238.20  304.326  3612.90  309.769  499.201   24.413  528.058   23.491 -28.85712 33.87936 
1 1 1  -13   21   16 o  302.004   12.029  1149.95   90.717  1111.63  125.408  1192.02  131.387  295.008   17.096  305.443   17.297 -10.43433 24.31994 
1 1 1  -13   21   17 o  331.485   12.388  1386.13  102.546  1357.47  142.298  1417.10  147.908  325.927   17.548  332.894   17.858 -6.967529 25.03660 
1 1 1  -13   21   18 o  188.858   11.044  450.471   51.858  414.605   69.395  495.828   78.040  180.128   15.581  196.979   16.004 -16.85139 22.33569 
1 1 1  -13   21   19 o  277.251   11.766  968.643   81.464  1029.35  112.236  901.052  118.428  284.323   15.871  265.216   17.988 19.10745 23.98854 
1 1 1  -13   21   20 o  264.642   11.696  882.441   77.296  883.998  105.932  880.668  113.040  263.317   16.188  262.418   17.348 0.8992004 23.72792 
1 1 1  -13   21   21 o  351.547   15.032  1566.40  131.960  1614.13  157.556  1454.26  241.522  355.827   17.732  330.666   29.561 25.16083 34.47118 
1 1 1  -13   21   22 o  113.930   16.055  167.929   44.411  186.048   48.386   71.042  111.888  119.888   16.608   88.169   34.675 31.71950 38.44725 
1 1 1  -13   21   23 o  257.216   14.217  839.852   90.964  872.509  105.937  748.195  177.475  261.516   16.303  235.662   30.903 25.85468 34.93925 
1 1 1  -13   21   24 o  113.737   16.073  167.457   44.380  155.447   47.735  243.984  120.495  108.975   18.182  131.764   35.723 -22.78913 40.08390 
1 1 1  -13   21   25 o   73.143   20.013   70.910   37.614   80.221   39.673 -11.8396  118.275   77.612   20.255   74.995   32.904 2.617073 38.63831 
1 1 1  -13   21   26 o  279.277   14.139  990.570   98.282  911.398  113.022  1236.11  199.038  266.828   17.051  306.000   26.303 -39.17172 31.34643 
1 1 1  -13   21   27 o  359.199   13.912  1634.99  124.789  1678.25  173.603  1588.74  179.502  360.995   19.328  350.483   20.600 10.51135 28.24756 
1 1 1  -13   21   28 o  119.924   12.873  183.993   37.948  212.402   50.142  145.907   58.057  128.162   16.017  104.007   22.967 24.15593 28.00021 
1 1 1  -13   21   29 o  152.340   11.746  294.946   44.341  281.457   59.230  312.145   66.879  147.582   16.346  155.115   17.576 -7.533157 24.00239 
1 1 1  -13   21   30 o  303.098   12.797  1164.92   96.857  1199.39  134.727  1128.05  139.342  304.918   17.771  294.997   19.017 9.920746 26.02748 
1 1 1  -13   21   31 o  189.786   13.133  459.806   61.857  496.625   92.332  429.825   83.320  194.911   19.220  181.451   18.654 13.46031 26.78393 
1 1 1  -13   21   32 o   95.365   13.817  118.234   31.945  120.297   41.187  115.120   50.608   95.005   18.020   91.743   22.306 3.261726 28.67543 
1 1 1  -13   21   33 o  321.079   13.303  1315.48  106.661  1425.70  149.190  1200.25  152.549  330.793   18.130  301.794   20.361 28.99835 27.26259 
1 1 1  -13   21   34 o  245.745   12.069  769.036   74.061  782.692  103.109  754.482  106.447  245.090   16.951  240.050   17.886 5.040161 24.64227 
1 1 1  -13   21   35 o   71.915   15.794   69.405   27.588   77.449   34.384   54.869   46.221   75.432   18.415   65.994   22.926 9.438354 29.40581 
1 1 1  -13   21   36 o  148.368   12.497  283.682   45.870  304.864   61.981  258.033   68.204  152.105   16.587  137.968   20.412 14.13771 26.30166 
1 1 1  -13   21   37 o   85.877   14.826   98.024   30.646  109.751   39.230   79.663   49.087   89.804   18.118   75.773   23.500 14.03123 29.67330 
1 1 1  -13   21   38 o  205.650   12.605  545.534   64.421  570.753   89.248  518.102   93.082  207.430   17.390  196.302   19.236 11.12875 25.93120 
1 1 1  -13   21   39 o  133.373   18.818  241.194   60.934  174.914  157.292  252.897   66.095  104.690   41.132  135.905   20.080 -31.21494 45.77178 
1 1 1  -13   21   40 o  161.083   19.741  354.471   77.745  220.009  177.354  386.456   86.499  111.136   43.673  167.222   21.190 -56.08604 48.54177 
1 1 1  -13   21   41 o   69.029   23.561   65.302   48.736  214.864  182.223   53.780   50.578  108.429   43.713   65.081   23.828 43.34787 49.78491 
1 1 1  -13   21   42 o  183.189   17.103  452.559   77.332  492.770  201.970  445.651   83.711  152.880   47.709  180.363   18.865 -27.48328 51.30342 
1 1 1  -13   21   43 o  136.462   19.169  259.213   63.522  356.732  204.091  248.753   66.842  123.762   47.330  132.400   20.911 -8.638145 51.74386 
1 1 1  -13   22    1 o   54.299   21.946   19.670   46.060   9.3908   53.014   51.321   93.028   54.438   22.913   77.656   31.259 -23.21804 38.75736 
1 1 1  -13   22    2 o  273.634   11.697  947.885   79.924  914.520  109.731  985.588  116.645  266.473   16.572  276.461   16.978 -9.988220 23.72548 
1 1 1  -13   22    3 o   79.104   15.478   82.542   29.479   80.482   38.170   85.585   46.405   77.381   19.701   79.682   22.392 -2.301010 29.82548 
1 1 1  -13   22    4 o  203.204   10.724  522.506   54.222  503.500   72.898  546.044   81.124  198.264   14.831  206.140   15.882 -7.876022 21.73004 
1 1 1  -13   22    5 o   96.833   13.556  121.204   31.882  115.708   40.849  129.771   50.998   93.401   18.168   98.178   21.405 -4.776932 28.07539 
1 1 1  -13   22    6 o   91.670   17.466  111.048   38.523   77.380   61.314  133.006   49.518   78.231   26.428   99.694   20.573 -21.46351 33.49158 
1 1 1  -13   22    7 o  272.934   12.914  943.340   88.020  920.673  107.269  990.055  153.997  268.151   16.094  274.842   22.639 -6.691010 27.77657 
1 1 1  -13   22    8 o  342.947   13.129  1489.55  112.441  1470.60  155.757  1510.18  162.487  337.938   18.528  342.147   19.094 -4.208984 26.60535 
1 1 1  -13   22    9 o  346.363   18.143  1541.78  156.380  1417.90  220.418  1667.34  221.900  326.321   27.300  355.656   25.147 -29.33548 37.11668 
1 1 1  -13   22   10 o  162.728   14.355  338.516   57.737  284.845   81.355  392.977   81.953  146.453   23.003  173.921   19.189 -27.46808 29.95607 
1 1 1  -13   22   11 o  104.098   12.854  139.032   32.704  124.995   42.845  158.628   50.623   97.311   18.303  109.685   19.180 -12.37464 26.51227 
1 1 1  -13   22   12 o  396.913   14.323  1997.94  141.959  1990.82  197.788  2005.51  203.873  392.719   20.237  393.804   20.805 -1.084381 29.02397 
1 1 1  -13   22   13 o  115.677   12.577  170.984   35.744  217.480   47.425  109.835   54.388  130.095   14.865   90.255   23.793 39.84071 28.05514 
1 1 1  -13   22   14 o  222.886   11.050  625.911   61.502  595.320   83.312  662.547   91.171  215.891   15.558  227.620   16.145 -11.72885 22.42068 
1 1 1  -13   22   15 o  342.345   13.027  1481.62  111.370  1516.61  154.577  1443.85  160.598  343.977   18.059  334.997   19.279 8.980042 26.41587 
1 1 1  -13   22   16 o  209.026   10.988  551.812   57.154  555.133   77.361  547.821   84.806  208.656   14.946  206.784   16.562 1.872787 22.30908 
1 1 1  -13   22   17 o  407.690   14.396  2106.40  146.566  2105.26  204.693  2107.59  209.960  404.152   20.347  404.042   20.881 0.1099243 29.15483 
1 1 1  -13   22   18 o  281.028   11.754  995.893   82.488  931.458  112.935  1069.58  120.770  269.900   16.840  289.307   16.789 -19.40646 23.77937 
1 1 1  -13   22   19 o  232.884   11.401  683.482   66.304  661.136   90.133  709.834   97.881  227.512   15.966  235.518   16.752 -8.006088 23.14146 
1 1 1  -13   22   20 o   59.467   18.109   45.476   29.309   30.162   37.933   68.161   46.168   54.994   20.543   72.703   22.830 -17.70862 30.71233 
1 1 1  -13   22   21 o  273.018   12.093  940.488   82.444  904.714  112.517  981.961  121.149  265.906   17.035  276.838   17.616 -10.93225 24.50505 
1 1 1  -13   22   22 f  208.546   11.574  549.962   60.037  537.795   81.193  564.639   89.177  205.055   15.982  209.759   17.175 -4.704910 23.46118 
1 1 1  -13   22   23 o  327.703   12.793  1357.09  104.691  1404.06  146.197  1307.66  149.987  331.060   17.749  318.910   18.918 12.14926 25.94065 
1 1 1  -13   22   24 o  283.015   11.864  1010.75   83.845  984.067  114.456  1041.66  123.173  277.393   16.599  285.097   17.384 -7.704590 24.03635 
1 1 1  -13   22   25 o  179.992   11.415  410.217   51.041  358.532   67.816  477.753   77.520  166.931   16.484  192.990   16.236 -26.05908 23.13696 
1 1 1  -13   22   26 o  255.574   11.742  824.729   74.942  766.631  101.838  893.355  110.681  244.460   16.784  263.935   16.881 -19.47487 23.80483 
1 1 1  -13   22   27 o  451.622   15.259  2597.61  172.084  2554.99  240.442  2642.37  246.395  443.468   21.712  450.846   21.885 -7.378448 30.82810 
1 1 1  -13   22   28 o  128.266   12.849  210.509   40.601  181.977   53.620  248.852   62.159  117.478   18.920  137.913   18.516 -20.43510 26.47322 
1 1 1  -13   22   29 f  154.059   11.906  302.191   45.450  270.895   60.049  344.165   69.542  144.354   16.983  162.782   17.376 -18.42824 24.29710 
1 1 1  -13   22   30 o  297.203   13.928  1125.63  103.369  987.634  163.419  1217.67  133.462  271.945   24.321  306.887   17.488 -34.94119 29.95527 
1 1 1  -13   22   31 o  162.697   12.390  338.189   49.960  323.572   62.161  364.860   83.966  157.939   15.981  165.796   20.734 -7.856659 26.17768 
1 1 1  -13   22   32 o   97.562   13.902  123.967   32.911  106.163   42.071  152.047   52.835   88.526   19.553  105.949   20.712 -17.42329 28.48324 
1 1 1  -13   22   33 o  237.184   12.081  718.197   71.321  746.750   97.713  685.642  104.337  239.663   16.426  228.428   18.448 11.23470 24.70135 
1 1 1  -13   22   34 f  157.311   11.888  317.197   46.357  307.436   62.114  329.469   69.648  153.044   16.514  157.790   17.998 -4.745712 24.42624 
1 1 1  -13   22   35 o  235.080   12.255  708.607   71.692  693.958   98.659  724.996  104.356  229.658   17.331  234.317   17.972 -4.659180 24.96655 
1 1 1  -13   22   36 o  172.735   11.663  382.997   50.014  392.391   67.647  371.672   74.278  172.897   15.844  167.014   18.099 5.883240 24.05446 
1 1 1  -13   22   37 o   98.834   14.258  128.835   34.172  157.496   44.335   86.891   53.635  108.378   16.936   78.580   24.596 29.79750 29.86261 
1 1 1  -13   22   38 o  100.212   13.907  132.292   33.863  116.111   43.455  157.312   54.034   91.561   19.597  106.215   21.116 -14.65446 28.80828 
1 1 1  -13   22   39 o   70.840   23.077   69.357   46.847  203.752  150.228   54.880   49.305  109.154   40.861   65.603   23.598 43.55099 47.18593 
1 1 1  -13   22   40 o   95.908   23.605  133.521   56.153   28.182  182.338  144.558   59.021   85.201   38.826   99.654   24.003 -14.45358 45.64668 
1 1 1  -13   22   41 o   67.815   23.231   63.110   47.383  159.046  168.947   54.920   49.364   98.702   41.181   65.046   23.582 33.65588 47.45487 
1 1 1  -13   22   42 o  175.152   17.896  418.375   77.173  447.551  200.840  413.321   83.591  142.262   47.833  172.537   19.757 -30.27550 51.75230 
1 1 1  -13   23    1 o   81.521   16.120   88.453   31.652  121.027   42.195   46.535   47.866   94.969   18.457   63.642   23.198 31.32687 29.64488 
1 1 1  -13   23    2 f  112.480   21.587  171.448   58.428  186.807   70.265  137.027  105.189  116.180   24.963   99.664   34.588 16.51697 42.65509 
1 1 1  -13   23    3 o   72.046   24.060   66.649   50.810   75.435   59.350   42.540   98.313   76.618   26.001   76.967   31.701 -0.3493271 40.99977 
1 1 1  -13   23    4 o  105.705   13.422  144.320   34.630  151.222   45.504  134.822   53.383  107.021   17.641   99.589   22.048 7.431740 28.23689 
1 1 1  -13   23    5 o  103.176   21.193  143.518   52.778   0.0000   0.0000  143.518   52.778  ?   ?   103.176   21.193 0.000000 21.19344 
1 1 1  -13   23    6 o  255.027   15.839  834.986  100.375  834.986  100.375   0.0000   0.0000  255.027   15.839  ?   ?  0.000000 15.83948 
1 1 1  -13   23    7 o   68.298   16.885   62.115   28.634   79.745   36.029   31.888   47.177   77.142   18.861   58.832   22.691 18.31062 29.50625 
1 1 1  -13   23    8 o  115.331   12.346  170.234   35.005  146.236   44.767  207.997   56.157  105.427   17.626  125.930   18.401 -20.50226 25.48079 
1 1 1  -13   23    9 o  242.762   11.454  744.460   69.435  793.445   94.802  687.775  101.982  249.048   15.318  230.814   17.832 18.23347 23.50749 
1 1 1  -13   23   10 o  136.201   11.587  235.962   39.034  234.325   50.928  238.292   60.770  134.785   15.408  135.007   18.513 -0.2216797 24.08588 
1 1 1  -13   23   11 o  326.825   14.335  1357.06  116.994  1345.97  143.624  1378.92  201.697  323.509   17.847  322.858   25.217 0.6509399 30.89393 
1 1 1  -13   23   12 o  429.970   21.253  2395.54  228.198  2240.91  322.385  2550.81  323.059  405.590   32.092  435.200   29.908 -29.60995 43.86788 
1 1 1  -13   23   13 o  144.889   15.587  270.225   55.510  239.403   80.624  298.004   76.540  133.148   25.171  150.525   20.929 -17.37770 32.73483 
1 1 1  -13   23   14 o   75.461   16.971   75.520   31.204   65.018   40.505   90.851   48.941   70.460   21.251   82.302   22.949 -11.84280 31.27757 
1 1 1  -13   23   15 o  188.371   11.196  449.016   52.430  451.656   70.172  445.680   78.885  187.919   15.081  186.013   17.176 1.905991 22.85718 
1 1 1  -13   23   16 o  211.905   11.234  567.804   59.235  557.278   79.826  580.703   88.364  208.769   15.421  212.685   16.774 -3.915619 22.78505 
1 1 1  -13   23   17 o  149.620   11.745  284.221   43.530  285.762   57.796  282.200   66.173  149.051   15.767  147.347   18.384 1.704895 24.21940 
1 1 1  -13   23   18 o  141.641   12.155  255.188   42.577  251.714   56.553  259.734   64.689  139.585   16.546  141.148   18.822 -1.563293 25.06095 
1 1 1  -13   23   19 o  286.322   12.116  1035.36   86.628  985.649  118.269  1092.91  127.244  277.289   17.164  291.874   17.539 -14.58487 24.54055 
1 1 1  -13   23   20 o  158.173   11.807  317.501   46.298  310.958   61.222  326.241   70.760  155.486   15.996  158.640   18.191 -3.154083 24.22324 
1 1 1  -13   23   21 f  173.016   11.851  379.631   50.892  391.811   67.931  364.050   76.833  174.770   15.734  167.499   18.688 7.271667 24.42889 
1 1 1  -13   23   22 o  208.356   11.607  549.569   60.154  522.049   80.480  584.404   90.547  201.777   16.106  213.193   17.153 -11.41563 23.52974 
1 1 1  -13   23   23 o  175.752   11.361  391.343   49.595  340.277   65.573  459.600   75.811  162.532   16.379  189.176   16.204 -26.64389 23.04052 
1 1 1  -13   23   24 o  168.508   11.655  360.266   48.741  377.019   64.729  338.328   74.073  171.441   15.280  161.241   18.746 10.20015 24.18446 
1 1 1  -13   23   25 o  346.542   13.152  1522.29  113.817  1543.95  158.385  1499.15  163.669  346.086   18.392  340.457   19.331 5.628143 26.68253 
1 1 1  -13   23   26 o  394.090   13.692  1972.73  134.745  1864.23  186.072  2092.37  195.386  379.193   19.718  402.396   19.444 -23.20334 27.69277 
1 1 1  -13   23   27 o  184.165   12.154  431.389   55.582  444.971   74.400  414.235   83.615  185.757   16.201  178.082   19.101 7.674896 25.04620 
1 1 1  -13   23   28 o  227.374   11.882  656.707   67.231  653.018   91.088  661.122   99.646  225.049   16.319  225.770   17.819 -0.7202148 24.16255 
1 1 1  -13   23   29 o  153.596   16.242  306.268   61.354  347.208  120.024  291.786   71.386  156.005   31.886  148.557   19.731 7.448593 37.49669 
1 1 1  -13   23   30 f  288.193   17.545  1078.76  125.663  1078.76  125.663   0.0000   0.0000  288.193   17.545  ?   ?  0.000000 17.54464 
1 1 1  -13   23   31 o   93.867   14.602  115.475   33.114  115.791   42.496  114.987   52.836   92.641   19.007   91.153   23.164 1.487991 29.96375 
1 1 1  -13   23   32 o  194.594   11.489  483.122   55.580  430.387   74.231  550.406   83.848  181.541   16.556  205.500   16.478 -23.95848 23.35866 
1 1 1  -13   23   33 o   82.921   15.301   91.433   30.516   83.893   38.694  103.837   49.632   78.205   19.795   86.294   22.720 -8.089355 30.13396 
1 1 1  -13   23   34 o   44.768   16.324   21.972   23.704   12.717   28.465   42.906   42.811   42.963   17.292   60.367   21.949 -17.40398 27.94234 
1 1 1  -13   23   35 o  306.524   13.197  1209.11  101.015  1193.93  139.725  1225.72  146.209  299.597   18.771  302.912   19.431 -3.315247 27.01710 
1 1 1  -13   23   36 o  118.316   12.818  182.042   37.265  172.373   48.443  196.056   58.321  113.101   17.735  119.515   20.265 -6.414688 26.93004 
1 1 1  -13   23   37 o   57.357   16.896   44.306   25.836   52.909   31.395   26.257   45.475   62.390   18.685   54.943   21.947 7.447124 28.82373 
1 1 1  -13   23   38 o  103.170   14.129  140.598   35.444  160.758   46.024  111.216   55.564  108.954   17.509   87.565   24.466 21.38890 30.08521 
1 1 1  -13   23   39 o  146.639   19.573  294.823   69.885  321.174  164.801  289.045   77.167  130.591   43.319  143.371   22.277 -12.77992 48.71093 
1 1 1  -13   23   40 o  127.987   21.108  230.048   65.111  424.512  186.787  203.150   69.468  145.361   45.957  117.987   24.384 27.37431 52.02529 
1 1 1  -13   23   41 o   79.808   23.867   93.719   51.250   82.250  176.369   94.777   53.562   88.058   39.323   80.086   24.500 7.971832 46.33099 
1 1 1  -13   23   42 o   92.141   23.371  126.277   53.858 -22.8137  178.299  141.246   56.497   76.586   36.074   97.491   23.485 -20.90504 43.04471 
1 1 1  -13   24    1 o   62.174   17.830   52.017   29.118   60.913   40.149   42.145   42.293   67.445   21.305   60.026   21.817 7.418201 30.49414 
1 1 1  -13   24    2 o  196.642   11.056  492.851   54.070  526.503   73.611  453.419   79.681  201.710   14.715  185.826   17.373 15.88448 22.76736 
1 1 1  -13   24    3 o  153.444   11.514  300.833   43.798  341.760   58.662  249.285   65.835  162.516   14.611  136.500   19.899 26.01617 24.68726 
1 1 1  -13   24    4 o  185.320   30.693  488.003  137.068   0.0000   0.0000  488.003  137.068  ?   ?   185.320   30.693 0.000000 30.69256 
1 1 1  -13   24    5 o  150.093   18.723  296.977   68.648  272.063   81.687  356.872  126.656  141.236   24.021  156.699   33.389 -15.46335 41.13196 
1 1 1  -13   24    6 o   39.656   16.440   6.1253   26.678   13.495   33.660  -6.3250   43.750   46.364   18.753   45.869   20.071 0.4949799 27.46891 
1 1 1  -13   24    7 o   74.936   16.398   74.813   29.832   80.506   37.775   65.378   48.631   77.241   19.563   71.263   23.526 5.978020 30.59747 
1 1 1  -13   24    8 o  155.939   11.298  309.230   43.699  333.974   57.415  275.159   67.372  161.199   14.415  144.594   19.128 16.60509 23.95168 
1 1 1  -13   24    9 o   63.833   17.579   54.123   28.913   27.546   36.759   97.241   46.821   53.178   20.146   84.640   21.962 -31.46172 29.80301 
1 1 1  -13   24   10 o   63.745   17.587   53.912   28.907   49.970   36.679   60.375   46.961   62.758   20.418   69.180   23.130 -6.421932 30.85297 
1 1 1  -13   24   11 o  169.400   11.323  364.260   47.623  413.310   63.283  300.210   72.315  179.677   14.220  151.179   19.618 28.49783 24.22950 
1 1 1  -13   24   12 o  207.893   11.321  547.671   58.553  558.317   78.391  534.237   88.062  208.717   15.143  203.260   17.521 5.456421 23.15800 
1 1 1  -13   24   13 o  120.528   12.841  186.109   38.054  197.707   49.425  169.224   59.634  123.304   16.463  112.195   22.071 11.10925 27.53451 
1 1 1  -13   24   14 o  148.354   12.785  280.823   46.902  275.004   58.271  291.531   79.039  145.834   16.278  148.194   22.028 -2.359985 27.39022 
1 1 1  -13   24   15 o   79.999   21.133   86.046   42.847   61.618   64.551  105.287   57.288   73.682   26.927   88.122   24.921 -14.44011 36.68938 
1 1 1  -13   24   16 o  235.132   15.812  708.512   92.303  643.526  132.555  769.685  128.607  220.107   24.534  242.568   21.453 -22.46007 32.59029 
1 1 1  -13   24   17 o  248.772   12.026  782.542   74.710  814.164  101.463  745.094  110.415  251.978   16.211  240.024   18.566 11.95403 24.64703 
1 1 1  -13   24   18 o  117.721   13.388  177.899   38.656  146.495   50.348  222.989   60.331  104.920   19.946  130.328   19.105 -25.40726 27.61921 
1 1 1  -13   24   19 o  269.225   12.025  916.508   80.848  904.922  109.920  930.161  119.330  265.508   16.663  268.644   17.890 -3.135803 24.44827 
1 1 1  -13   24   20 o  215.378   11.537  587.630   61.822  591.526   82.967  582.766   92.701  214.838   15.570  212.467   17.631 2.371231 23.52235 
1 1 1  -13   24   21 o  374.706   13.772  1782.90  128.867  1753.95  177.816  1814.93  187.025  368.169   19.409  374.062   20.096 -5.892883 27.93837 
1 1 1  -13   24   22 o  210.019   11.581  559.113   60.501  513.734   80.516  617.964   91.692  199.821   16.277  219.029   16.895 -19.20728 23.46018 
1 1 1  -13   24   23 o  212.536   11.566  572.709   61.152  574.772   81.285  570.019   92.824  211.658   15.486  209.846   17.884 1.811325 23.65755 
1 1 1  -13   24   24 o  247.639   11.806  776.069   73.008  813.905   98.773  730.503  108.394  251.825   15.787  237.349   18.433 14.47543 24.26893 
1 1 1  -13   24   25 o  107.239   14.219  148.920   37.138  136.754   47.642  167.762   59.290  101.154   19.568  111.464   22.082 -10.30958 29.50456 
1 1 1  -13   24   26 o  220.004   11.353  614.203   62.160  559.730   82.704  684.927   94.237  208.332   16.020  230.358   16.491 -22.02620 22.99111 
1 1 1  -13   24   27 o  317.893   12.580  1284.25   99.868  1263.57  137.825  1307.10  144.911  312.179   17.753  317.110   18.378 -4.931305 25.55257 
1 1 1  -13   24   28 o  211.232   11.632  567.722   61.120  517.504   81.659  631.696   92.166  199.745   16.519  220.642   16.855 -20.89771 23.60048 
1 1 1  -13   24   29 o  119.341   13.285  183.893   38.920  175.052   50.479  196.854   61.117  114.777   18.220  120.744   21.034 -5.966393 27.82845 
1 1 1  -13   24   30 f  152.973   12.386  300.092   46.908  294.539   61.779  307.652   72.081  149.917   16.790  152.082   19.423 -2.165375 25.67466 
1 1 1  -13   24   31 o  123.104   12.903  195.769   39.077  177.846   50.583  222.300   61.542  115.410   18.151  128.564   19.805 -13.15427 26.86413 
1 1 1  -13   24   32 o  267.793   12.442  917.221   83.202  916.471  113.556  918.089  122.255  264.284   17.302  263.453   18.704 0.8314514 25.47959 
1 1 1  -13   24   33 o   84.727   15.581   95.892   31.751  110.515   40.477   72.502   51.191   90.033   18.618   73.218   24.136 16.81526 30.48267 
1 1 1  -13   24   34 o   65.475   16.787   58.311   27.576   65.941   34.145   44.000   46.763   69.281   19.114   61.585   22.848 7.696415 29.78858 
1 1 1  -13   24   35 o  342.934   13.791  1521.61  118.098  1529.61  162.838  1512.73  171.533  337.679   19.392  334.270   20.651 3.409485 28.32848 
1 1 1  -13   24   36 o  135.145   13.057  237.760   43.515  239.865   57.064  234.835   67.267  133.638   17.522  130.026   21.466 3.612015 27.70901 
1 1 1  -13   24   37 o  149.864   12.616  291.595   46.776  322.712   62.388  251.646   70.690  155.799   16.276  134.196   21.846 21.60352 27.24257 
1 1 1  -13   24   38 o   75.365   23.325   80.874   48.387  219.153  138.413   61.622   51.646  111.812   39.610   68.189   24.191 43.62388 46.41328 
1 1 1  -13   24   39 o  149.673   19.515  308.380   71.203  360.967  167.163  296.724   78.699  136.900   43.497  144.654   22.519 -7.754547 48.98040 
1 1 1  -13   24   40 o   58.334   22.525   37.974   46.532  179.638  160.520   24.977   48.619  100.772   40.886   54.912   22.417 45.86068 46.62791 
1 1 1  -13   24   41 o   92.056   23.200  125.494   53.313  369.964  177.309  101.195   55.899  131.673   44.940   82.017   25.016 49.65623 51.43370 
1 1 1  -13   25    1 o   48.411   17.853   26.009   28.467   27.014   40.623   25.040   39.903   53.392   20.926   52.438   20.681 0.9541817 29.42087 
1 1 1  -13   25    2 o   80.754   16.115   87.936   31.359   93.902   43.025   81.175   45.802   81.970   20.942   76.195   22.511 5.774803 30.74608 
1 1 1  -13   25    3 o   52.578   18.306   33.592   29.478  -5.2040   39.861   80.418   43.792   43.562   19.108   76.118   21.876 -32.55598 29.04612 
1 1 1  -13   25    4 o  163.368   11.486  341.724   46.561  390.226   61.999  278.983   70.515  173.416   14.448  143.808   20.192 29.60782 24.82882 
1 1 1  -13   25    5 o  113.749   13.064  167.601   36.435  223.172   47.191   85.584   57.331  130.888   14.692   79.173   25.507 51.71471 29.43542 
1 1 1  -13   25    6 o  233.351   11.450  692.231   66.719  740.239   90.205  634.246   99.136  239.267   15.176  219.732   18.232 19.53542 23.72142 
1 1 1  -13   25    7 o  111.668   22.480  170.932   60.518  174.675   70.003  159.860  120.403  111.614   25.653  105.455   36.982 6.159615 45.00814 
1 1 1  -13   25    8 o  184.044   11.374  431.317   52.018  444.113   69.035  414.508   79.122  185.439   15.037  177.810   18.070 7.628952 23.50878 
1 1 1  -13   25    9 o  269.943   12.307  926.354   82.960  1031.72  113.662  806.236  121.361  282.641   16.171  247.687   19.786 34.95454 25.55386 
1 1 1  -13   25   10 o  179.159   11.289  408.202   50.246  412.179   66.224  402.807   77.134  178.815   14.968  175.614   17.836 3.200974 23.28501 
1 1 1  -13   25   11 o  107.284   13.437  148.743   35.209  175.553   45.460  108.554   55.660  115.885   16.148   88.842   24.360 27.04284 29.22612 
1 1 1  -13   25   12 o  133.802   12.246  228.979   40.462  257.550   52.776  188.237   63.022  141.099   15.219  117.999   22.203 23.10030 26.91803 
1 1 1  -13   25   13 o  102.317   14.216  135.889   35.341  132.865   45.314  140.584   56.466   99.801   18.874  101.508   22.830 -1.707253 29.62103 
1 1 1  -13   25   14 o   71.790   17.713   68.998   31.560   58.670   40.152   85.692   51.050   67.213   21.314   79.771   23.813 -12.55795 31.95794 
1 1 1  -13   25   15 o   64.994   18.383   56.084   31.170   44.316   39.555   75.363   50.629   60.895   21.206   75.614   23.929 -14.71922 31.97277 
1 1 1  -13   25   16 o  137.726   12.315  242.312   41.907  236.430   54.492  250.828   65.562  134.823   16.532  137.859   19.596 -3.035522 25.63791 
1 1 1  -13   25   17 o  126.729   13.076  206.040   40.786  201.700   52.448  212.682   64.876  124.119   17.400  126.126   21.360 -2.006798 27.55018 
1 1 1  -13   25   18 o  119.797   18.032  188.740   52.271  176.118   79.565  198.323   69.332  112.198   28.378  120.790   23.832 -8.592651 37.05779 
1 1 1  -13   25   19 o  287.879   16.955  1068.33  121.352  1121.12  175.268  1019.71  168.186  290.151   24.417  276.502   24.615 13.64917 34.67121 
1 1 1  -13   25   20 o  148.411   16.691  286.084   60.785  251.146   93.646  311.521   79.906  134.076   28.827  153.098   21.493 -19.02245 35.95708 
1 1 1  -13   25   21 o  275.973   12.234  965.782   84.315  890.209  113.039  1060.56  126.586  262.409   17.348  286.258   17.796 -23.84875 24.85303 
1 1 1  -13   25   22 o   51.107   18.452   28.876   30.178  -5.4700   38.434   84.088   48.730   43.195   18.859   78.940   23.190 -35.74485 29.89058 
1 1 1  -13   25   23 o  189.247   11.697  455.554   55.007  442.273   72.581  473.475   84.313  185.040   15.861  190.642   17.921 -5.601837 23.93146 
1 1 1  -13   25   24 o  185.173   11.836  436.638   54.446  429.195   71.571  446.862   83.883  182.169   15.892  184.835   18.419 -2.666275 24.32726 
1 1 1  -13   25   25 o  256.442   12.169  835.516   77.930  822.781  104.957  851.163  116.340  252.034   16.772  255.460   18.360 -3.425278 24.86719 
1 1 1  -13   25   26 o  164.379   11.762  344.814   47.961  312.782   62.981  389.033   73.999  154.882   16.540  172.527   17.414 -17.64450 24.01692 
1 1 1  -13   25   27 o  224.667   11.655  643.011   65.165  631.578   86.805  657.774   98.641  220.810   15.848  224.349   17.752 -3.539154 23.79683 
1 1 1  -13   25   28 f  152.559   13.360  299.828   50.385  238.153   70.865  362.882   71.652  132.228   22.251  166.199   17.529 -33.97098 28.32625 
1 1 1  -13   25   29 o  140.570   13.489  255.392   46.770  211.935   57.946  336.616   79.220  125.815   19.039  158.334   20.519 -32.51917 27.99078 
1 1 1  -13   25   30 o  137.165   12.353  242.280   41.858  252.015   54.279  227.996   65.749  138.540   15.982  129.413   21.070 9.127625 26.44610 
1 1 1  -13   25   31 o  223.496   11.793  639.706   65.584  612.225   87.581  674.789   98.957  216.161   16.346  226.112   17.666 -9.951080 24.06798 
1 1 1  -13   25   32 o  105.541   14.175  146.268   36.413  151.961   46.692  137.432   58.173  105.976   18.305   98.290   23.926 7.685944 30.12525 
1 1 1  -13   25   33 o  154.242   12.605  307.700   48.126  317.458   63.375  294.408   73.965  154.737   16.664  146.664   20.776 8.072449 26.63367 
1 1 1  -13   25   34 o  103.680   14.080  141.660   35.511  135.894   45.001  151.177   57.810   99.582   18.785  103.103   23.034 -3.520950 29.72307 
1 1 1  -13   25   35 o  327.235   13.852  1389.83  113.191  1463.46  155.799  1307.51  164.727  329.904   18.992  308.707   21.502 21.19659 28.68868 
1 1 1  -13   25   36 o  107.416   14.235  152.551   37.243  180.442   48.191  111.188   58.685  115.581   17.223   87.108   25.409 28.47291 30.69585 
1 1 1  -13   25   37 o  100.109   22.639  143.898   55.269  180.538  132.236  136.143   60.838  103.492   38.416   96.069   25.087 7.422752 45.88195 
1 1 1  -13   25   38 o   94.466   23.580  130.476   55.451  112.818  139.960  133.764   60.393   90.150   37.536   94.870   25.103 -4.720428 45.15670 
1 1 1  -13   25   39 o  101.212   23.574  150.450   58.474   72.091  153.805  163.689   63.221   84.623   37.312  105.056   24.542 -20.43266 44.65958 
1 1 1  -13   25   40 o   25.984   12.122 -16.7199   19.326 -23.3535   21.464   11.691   44.420   26.143   12.375   49.300   20.874 -23.15701 24.26701 
1 1 1  -13   25   41 o   92.332   15.249  116.049   33.932  130.442   42.373   90.322   56.654   96.393   18.272   77.394   25.385 18.99950 31.27765 
1 1 1  -13   26    1 o  157.095   11.572  320.073   45.077  331.014   62.653  308.332   64.902  157.035   16.210  150.603   17.589 6.432739 23.91932 
1 1 1  -13   26    2 o  144.887   14.720  277.624   52.520  418.420   81.393  177.178   68.748  175.187   18.905  109.314   25.630 65.87285 31.84748 
1 1 1  -13   26    3 o   83.472   24.509  101.060   54.444   0.0000   0.0000  101.060   54.444  ?   ?    83.472   24.509 0.000000 24.50947 
1 1 1  -13   26    4 o   95.727   19.647  126.833   45.391  126.833   45.391   0.0000   0.0000   95.727   19.647  ?   ?  0.000000 19.64675 
1 1 1  -13   26    5 o   63.909   17.919   55.666   29.752   45.156   38.912   70.456   46.160   60.023   21.025   71.643   22.867 -11.62049 31.06382 
1 1 1  -13   26    6 o   93.997   14.767  116.903   33.518  126.358   43.827  103.581   52.025   96.234   18.912   85.562   23.588 10.67208 30.23339 
1 1 1  -13   26    7 o   34.646   15.366  -7.4762   26.463  -4.0267   33.728 -13.0003   42.682   40.414   17.655   43.248   19.327 -2.833767 26.17672 
1 1 1  -13   26    8 o   55.810   18.375   39.752   29.674   24.517   37.544   65.110   48.438   51.790   20.167   70.277   23.491 -18.48626 30.96069 
1 1 1  -13   26    9 o  144.956   19.303  280.717   68.137  306.116   81.732  222.839  123.379  149.779   22.551  119.853   37.270 29.92521 43.56161 
1 1 1  -13   26   10 o   73.766   23.968   72.670   50.546   79.907   57.607   48.454  105.374   77.272   25.610   78.680   32.649 -1.407814 41.49525 
1 1 1  -13   26   11 o   63.235   18.027   53.532   29.853   71.180   37.546   23.200   49.223   72.388   20.071   56.264   22.706 16.12370 30.30548 
1 1 1  -13   26   12 o  133.051   12.445  227.367   40.868  242.788   53.168  205.101   63.890  136.366   15.913  122.960   21.595 13.40594 26.82485 
1 1 1  -13   26   13 o  102.748   14.174  137.524   35.400  153.700   45.423  112.500   56.496  107.643   17.499   89.973   24.489 17.67013 30.09907 
1 1 1  -13   26   14 o   70.694   18.051   67.357   31.978   52.972   40.802   90.263   51.486   64.537   21.560   81.202   23.832 -16.66562 32.13741 
1 1 1  -13   26   15 o   71.517   17.962   68.895   32.035   73.385   40.876   61.748   51.573   73.669   21.125   70.128   24.225 3.540886 32.14236 
1 1 1  -13   26   16 o  221.499   11.723  624.461   64.609  642.614   86.208  601.200   97.589  223.104   15.571  214.369   18.409 8.734970 24.11104 
1 1 1  -13   26   17 o   83.835   16.776   93.680   33.895   94.501   42.931   92.321   55.229   83.286   20.725   82.241   24.817 1.045120 32.33315 
1 1 1  -13   26   18 o   71.286   18.057   68.418   32.179   61.660   41.034   79.213   51.860   68.419   21.529   76.888   24.205 -8.468964 32.39441 
1 1 1  -13   26   19 o  133.213   12.542  227.670   41.230  191.186   53.037  283.392   65.546  120.146   18.252  146.718   18.287 -26.57169 25.83679 
1 1 1  -13   26   20 o  139.551   12.506  249.674   43.120  234.961   55.902  271.291   67.757  133.831   17.119  142.991   19.483 -9.160248 25.93554 
1 1 1  -13   26   21 o  141.437   13.283  257.339   46.366  284.269   57.952  209.433   77.293  147.789   15.956  122.498   26.068 25.29160 30.56342 
1 1 1  -13   26   22 o   84.551   22.273   98.260   47.681   11.184   79.044  148.070   59.783   64.470   27.588  103.442   23.658 -38.97146 36.34285 
1 1 1  -13   26   23 o  247.305   16.569  794.098  101.735  803.354  150.977  786.399  137.690  242.764   25.275  241.835   23.080 0.9282990 34.22738 
1 1 1  -13   26   24 o  278.043   17.417  1008.02  120.318  966.900  177.234  1043.16  163.863  264.435   27.229  277.830   23.850 -13.39529 36.19704 
1 1 1  -13   26   25 o  141.360   17.883  264.122   61.715  256.411  101.136  268.696   77.900  132.436   31.110  140.157   23.059 -7.721085 38.72405 
1 1 1  -13   26   26 o  179.613   17.035  423.005   75.493  346.587  120.187  472.804   97.020  153.291   32.410  187.699   21.062 -34.40784 38.65303 
1 1 1  -13   26   27 o   62.523   22.753   45.909   46.020  102.092   94.034   28.215   52.771   87.969   32.446   58.818   23.590 29.15096 40.11541 
1 1 1  -13   26   28 f  231.334   16.645  700.831   95.513  700.831   95.513   0.0000   0.0000  231.334   16.645  ?   ?  0.000000 16.64510 
1 1 1  -13   26   29 o  124.468   13.429  201.388   41.078  203.326   52.977  198.467   65.051  123.342   17.708  119.482   22.631 3.860542 28.73549 
1 1 1  -13   26   30 o  117.076   13.970  179.296   40.036  214.203   51.865  127.829   62.977  126.910   16.777   94.024   25.966 32.88647 30.91401 
1 1 1  -13   26   31 o  143.276   12.999  266.373   46.003  240.495   59.747  304.053   72.096  133.607   18.395  149.656   19.776 -16.05005 27.00875 
1 1 1  -13   26   32 o   78.683   16.484   84.099   31.351   55.893   38.774  137.356   53.280   64.500   20.994   98.568   22.182 -34.06822 30.54109 
1 1 1  -13   26   33 o  100.334   22.128  142.664   53.954  216.451  112.184  120.461   61.538  115.043   35.500   90.598   25.901 24.44544 43.94469 
1 1 1  -13   26   34 o   51.786   21.350   17.739   44.647  109.160  110.924   0.0647   48.772   88.344   34.592   48.849   21.288 39.49515 40.61756 
1 1 1  -13   26   35 o  150.442   18.677  307.912   68.655  412.163  134.183  270.943   79.906  160.001   34.591  137.350   24.180 22.65080 42.20455 
1 1 1  -13   26   36 o  196.226   18.628  522.840   90.184  538.170  166.773  516.505  107.211  177.574   38.702  191.235   22.906 -13.66107 44.97279 
1 1 1  -13   26   37 f   59.850   23.045   40.460   48.595   14.294  137.453   44.198   51.949   75.497   34.129   61.911   23.830 13.58607 41.62531 
1 1 1  -13   26   38 f   61.238   23.188   45.220   48.682   28.456  138.255   47.593   52.013   76.694   34.489   62.772   23.920 13.92162 41.97273 
1 1 1  -13   26   39 o   83.133   16.361   95.235   32.756  110.662   40.221   64.853   56.446   88.593   18.764   68.872   25.178 19.72122 31.40144 
1 1 1  -13   26   40 o  114.011   14.353  174.308   39.958  200.161   50.614  131.536   65.102  120.497   17.318   91.580   26.776 28.91714 31.88843 
1 1 1  -13   27    1 o   57.519   18.028   46.097   28.805  130.477   44.622 -14.1824   37.715   95.380   19.395   39.109   17.759 56.27119 26.29710 
1 1 1  -13   27    2 o   66.107   21.731   62.171   41.506   0.0000   0.0000   62.171   41.506  ?   ?    66.107   21.731 0.000000 21.73054 
1 1 1  -13   27    3 o   55.286   21.280   34.070   41.425   34.070   41.425   0.0000   0.0000   55.286   21.280  ?   ?  0.000000 21.28005 
1 1 1  -13   27    4 o   71.187   19.499   71.665   35.685  105.455   57.640   50.664   45.440   84.048   25.351   62.610   22.636 21.43811 33.98633 
1 1 1  -13   27    5 o   50.527   19.257   27.081   33.711   13.290   52.482   36.768   43.984   53.403   22.655   57.473   21.974 -4.070171 31.56108 
1 1 1  -13   27    6 o  116.482   13.081  177.677   37.391  214.109   49.554  129.511   56.978  126.607   16.033   94.297   24.105 32.30996 28.94978 
1 1 1  -13   27    7 o   46.824   17.632   22.996   28.052   31.098   36.531   11.351   43.793   53.384   20.117   49.665   20.861 3.719372 28.98046 
1 1 1  -13   27    8 o   48.159   17.878   25.231   28.640   38.807   36.649   3.9347   45.900   56.692   20.350   48.725   20.941 7.966427 29.20051 
1 1 1  -13   27    9 f   71.323   17.907   69.753   31.846   43.845   40.435  112.076   51.680   59.853   21.387   88.840   23.085 -28.98662 31.46922 
1 1 1  -13   27   10 o  133.755   12.348  231.148   40.779  243.926   53.068  212.723   63.724  135.966   15.932  124.307   21.294 11.65881 26.59450 
1 1 1  -13   27   11 o   47.076   18.785   17.196   33.280   17.907   34.753   9.3431  115.563   48.024   19.185   73.398   32.354 -25.37459 37.61409 
1 1 1  -13   27   12 o   69.997   24.089   63.789   50.972   72.049   56.406   27.012  119.021   73.795   25.344   77.173   33.445 -3.378105 41.96259 
1 1 1  -13   27   13 o   49.518   19.525   20.711   35.560   44.235   50.883  -1.7461   49.716   63.135   23.752   49.503   21.534 13.63146 32.06052 
1 1 1  -13   27   14 o  106.212   14.120  147.454   36.523  134.015   46.587  168.888   58.834   99.260   19.491  110.610   22.074 -11.35015 29.44719 
1 1 1  -13   27   15 o   72.156   17.905   70.704   32.110   80.691   40.837   54.528   51.971   76.604   20.808   67.065   24.214 9.538803 31.92655 
1 1 1  -13   27   16 o  159.872   11.872  327.488   47.060  317.533   60.557  342.668   74.774  155.908   15.771  160.461   19.032 -4.553513 24.71695 
1 1 1  -13   27   17 o   75.371   17.543   76.896   32.400   74.355   41.052   81.091   52.759   73.742   21.177   77.128   24.429 -3.386398 32.33050 
1 1 1  -13   27   18 f   80.578   17.185   87.488   33.525   99.028   42.570   68.646   54.396   84.930   20.341   72.641   24.891 12.28940 32.14502 
1 1 1  -13   27   19 o  152.596   12.314  299.007   46.525  298.482   60.515  299.767   72.756  150.915   16.317  149.540   19.983 1.375031 25.79878 
1 1 1  -13   27   20 o  103.547   14.606  140.518   36.718  124.842   46.724  165.829   59.372   95.565   20.211  109.557   22.456 -13.99259 30.21143 
1 1 1  -13   27   21 o   65.606   18.672   58.110   32.055   86.056   40.682   12.354   52.056   79.118   20.444   54.182   22.750 24.93561 30.58672 
1 1 1  -13   27   22 o  117.864   13.720  180.592   39.627  176.183   50.878  187.392   63.182  114.661   18.390  116.485   22.535 -1.823372 29.08702 
1 1 1  -13   27   23 o  142.006   12.485  259.716   43.822  230.596   56.284  304.544   69.833  131.798   17.536  151.048   18.929 -19.24982 25.80395 
1 1 1  -13   27   24 o  215.563   11.899  594.990   63.805  562.434   83.972  639.462   98.144  207.292   16.355  220.048   18.019 -12.75568 24.33404 
1 1 1  -13   27   25 o   63.536   18.505   54.516   31.147   43.283   39.001   74.299   51.756   59.520   21.032   74.044   24.262 -14.52390 32.10934 
1 1 1  -13   27   26 o   69.379   22.640   64.639   45.083   88.375   86.749   55.857   52.769   82.733   31.035   67.318   24.385 15.41571 39.46879 
1 1 1  -13   27   27 o  112.928   33.410  197.609  100.829  197.609  100.829   0.0000   0.0000  112.928   33.410  ?   ?  0.000000 33.40998 
1 1 1  -13   27   28 o  250.372   17.139  828.634  106.512  884.060  163.445  787.722  140.423  249.242   26.674  237.972   23.956 11.27048 35.85237 
1 1 1  -13   27   29 o  143.097   18.058  275.222   63.093  325.647  108.743  249.633   77.464  146.926   30.631  132.544   24.299 14.38173 39.09880 
1 1 1  -13   27   30 o  140.325   18.452  266.250   63.090  299.052  111.152  250.660   76.630  138.432   32.678  132.749   24.000 5.683640 40.54445 
1 1 1  -13   27   31 o   51.539   21.375   16.069   45.130   28.213   98.852   12.871   50.725   70.839   30.589   52.932   22.354 17.90678 37.88659 
1 1 1  -13   27   32 o  104.421   21.874  154.629   55.212  279.778  111.589  114.061   63.533  131.827   33.752   87.731   26.650 44.09536 43.00514 
1 1 1  -13   27   33 o   76.290   24.321   83.321   52.230  112.728  118.607   76.247   58.175   89.111   35.492   74.025   25.720 15.08577 43.83174 
1 1 1  -13   27   34 o   71.664   24.289   71.675   51.793   53.977  123.316   75.466   57.071   79.008   34.141   73.488   25.478 5.520416 42.60009 
1 1 1  -13   27   35 o   60.093   22.989   41.430   48.159  137.646  118.380   22.348   52.718   93.266   35.952   55.745   23.110 37.52078 42.73894 
1 1 1  -13   27   36 o  167.961   19.063  388.052   78.541  364.539  146.884  397.467   92.945  141.170   39.897  166.742   22.928 -25.57201 46.01630 
1 1 1  -13   27   37 f   62.368   17.532   54.182   28.442   30.224   33.487  116.217   53.885   51.433   19.284   88.354   23.862 -36.92064 30.68029 
1 1 1  -13   27   38 o   70.473   17.114   69.536   29.818   55.126   35.539  103.803   54.802   62.778   20.067   82.912   24.654 -20.13374 31.78873 
1 1 1  -13   27   39 o   58.535   17.648   47.747   27.937   48.848   32.419   44.573   55.065   59.339   19.187   61.744   24.312 -2.404148 30.97119 
1 1 1  -13   28    1 o   59.035   27.994 -40.3016  110.776   0.0000   0.0000 -40.3016  110.776  ?   ?    59.035   27.994 0.000000 27.99358 
1 1 1  -13   28    2 o   80.124   17.325   91.590   33.655  151.694   48.671   36.517   46.589  101.967   19.828   56.260   22.296 45.70709 29.83719 
1 1 1  -13   28    3 o   41.976   17.011   13.947   27.751   12.104   41.585   15.427   37.262   47.532   20.165   46.757   19.410 0.7747612 27.98904 
1 1 1  -13   28    4 o   56.127   18.183   43.370   29.103   61.208   41.856   26.675   40.493   65.363   21.837   51.884   20.715 13.47834 30.09926 
1 1 1  -13   28    5 o   50.132   17.971   31.185   28.572   27.397   39.805   35.210   41.038   52.144   20.626   55.283   21.204 -3.139435 29.58156 
1 1 1  -13   28    6 o   79.688   16.768   88.086   32.311  113.367   44.392   59.604   47.119   88.806   20.441   65.825   23.132 22.98129 30.86957 
1 1 1  -13   28    7 o  134.263   15.732  242.103   51.747  267.470   75.570  219.708   71.006  136.111   23.056  122.351   24.097 13.76092 33.35092 
1 1 1  -13   28    8 o   44.297   17.454   17.411   28.399   27.812   37.261   2.9938   43.868   51.969   20.132   47.017   20.340 4.951885 28.61818 
1 1 1  -13   28    9 o  159.780   11.782  330.621   46.678  349.136   61.458  305.380   71.758  162.238   15.352  148.830   19.799 13.40810 25.05368 
1 1 1  -13   28   10 o   90.947   15.508  111.281   33.958  151.598   43.829   50.735   53.710  105.696   17.197   64.842   24.401 40.85416 29.85205 
1 1 1  -13   28   11 o   94.152   14.875  118.240   33.812  114.444   43.184  124.256   54.356   90.628   19.648   92.814   23.445 -2.185791 30.58937 
1 1 1  -13   28   12 o   69.467   17.948   66.523   31.356   57.301   39.802   81.609   50.907   65.159   21.273   76.055   23.986 -10.89548 32.06083 
1 1 1  -13   28   13 o   38.612   16.512   1.6026   28.284  -6.7357   35.150   16.916   47.635   40.295   17.798   52.977   21.965 -12.68208 28.27106 
1 1 1  -13   28   14 o   50.261   21.306   8.8087   46.360   12.018   49.829 -11.8704  126.475   52.606   22.182   72.249   32.692 -19.64299 39.50732 
1 1 1  -13   28   15 o   47.019   20.535  -2.6009   45.601 -17.6974   48.623  107.664  131.407   45.117   20.356   91.713   37.069 -46.59566 42.29014 
1 1 1  -13   28   16 o   41.448   17.847   0.5069   33.453   4.7897   46.410  -4.1250   48.264   49.309   21.121   47.971   21.034 1.337582 29.80799 
1 1 1  -13   28   17 o   40.911   16.980   7.5190   28.512   19.412   35.885 -12.8433   46.955   48.972   19.517   45.368   20.273 3.604340 28.14067 
1 1 1  -13   28   18 o  115.279   13.630  173.573   38.478  185.840   49.328  154.508   61.495  117.844   17.275  104.153   24.119 13.69106 29.66736 
1 1 1  -13   28   19 o  120.929   13.420  190.539   39.842  181.145   50.718  205.679   64.386  115.958   18.107  121.751   21.986 -5.793266 28.48254 
1 1 1  -13   28   20 o   65.739   18.613   58.986   31.938   35.546   39.904  100.765   53.275   56.505   21.078   84.213   24.107 -27.70759 32.02247 
1 1 1  -13   28   21 o   54.509   18.655   37.194   30.553   54.935   38.384   6.5188   50.473   64.235   20.887   51.591   22.060 12.64420 30.37944 
1 1 1  -13   28   22 o  111.905   14.129  164.320   38.602  145.020   48.791  196.619   63.117  102.746   19.734  118.824   22.084 -16.07864 29.61609 
1 1 1  -13   28   23 o  113.472   13.831  168.666   38.381  150.902   48.608  198.079   62.547  105.021   19.244  119.351   21.789 -14.33046 29.07014 
1 1 1  -13   28   24 o  192.843   11.736  478.151   56.247  498.909   73.197  448.218   87.895  195.160   15.138  182.059   19.644 13.10133 24.80032 
1 1 1  -13   28   25 o   84.400   17.164   96.990   34.943   84.776   43.873  118.179   57.787   77.594   21.761   90.354   24.840 -12.75967 33.02412 
1 1 1  -13   28   26 o  160.356   14.648  337.353   58.008  452.933   83.553  229.801   80.598  183.501   18.485  125.301   26.582 58.19946 32.37748 
1 1 1  -13   28   27 o  101.083   14.902  135.881   36.487  155.140   46.448  104.847   58.962  106.714   18.075   84.853   25.651 21.86145 31.37959 
1 1 1  -13   28   28 o   53.412   18.257   36.199   29.262   15.749   35.786   77.466   50.835   47.336   19.267   74.183   24.031 -26.84682 30.80125 
1 1 1  -13   28   29 o   74.355   17.583   76.408   32.134   57.401   39.942  111.277   54.102   64.964   21.315   87.395   24.038 -22.43127 32.12777 
1 1 1  -13   28   30 o   68.730   18.231   65.692   31.803   80.889   39.818   38.915   52.855   75.585   20.553   60.762   23.853 14.82295 31.48658 
1 1 1  -13   28   31 o  123.544   13.663  200.984   41.446  192.508   52.886  214.476   66.726  118.442   18.484  122.559   22.636 -4.116196 29.22413 
1 1 1  -13   28   32 o   78.613   17.032   85.252   32.469   81.941   40.125   91.531   55.262   75.864   20.634   79.118   24.996 -3.253929 32.41188 
1 1 1  -13   28   33 o   60.934   18.235   51.210   29.909   37.706   36.260   79.954   52.901   55.539   20.199   74.551   24.534 -19.01231 31.77929 
1 1 1  -13   28   34 o  127.414   13.425  214.023   42.072  199.413   53.143  238.555   68.866  120.344   18.257  129.179   22.145 -8.834831 28.70037 
1 1 1  -13   28   35 o   48.608   17.695   27.967   27.835   14.899   32.737   62.065   52.881   45.209   18.418   67.640   24.425 -22.43124 30.59078 
1 1 1  -13   28   36 o   66.637   18.960   62.888   33.057  100.833   40.325 -14.8541   57.720   84.037   19.579   48.781   22.078 35.25571 29.50911 
1 1 1  -13   28   37 o   60.958   18.063   52.093   29.454   55.310   35.018   44.313   54.458   62.702   19.907   61.652   24.209 1.050587 31.34243 
1 1 1  -13   28   38 o   71.201   17.533   71.808   30.968   80.326   36.870   51.404   57.061   74.515   19.565   63.992   24.878 10.52297 31.64977 
1 1 1  -13   28   39 o   81.878   17.007   94.349   33.637   88.549   40.305  107.663   61.060   77.547   20.501   82.459   26.298 -4.912567 33.34488 
1 1 1  -13   29    1 o   54.856   23.325   28.756   55.850   20.586   63.520   56.594  117.249   54.900   24.100   68.930   31.305 -14.03038 39.50653 
1 1 1  -13   29    2 f   69.783   25.966   78.268   60.487   74.200   67.140   95.796  139.367   68.783   26.918   76.377   34.461 -7.594261 43.72802 
1 1 1  -13   29    3 o   97.352   26.336  158.035   65.575  179.723   76.095   95.458  129.255  101.381   28.739   77.139   34.099 24.24174 44.59433 
1 1 1  -13   29    4 o   72.907   17.725   77.029   31.957   84.301   46.765   70.659   43.772   73.692   22.951   68.224   22.310 5.467644 32.00771 
1 1 1  -13   29    5 o   49.125   18.109   29.797   29.284   12.290   42.930   45.031   40.048   47.864   20.403   57.887   21.201 -10.02287 29.42392 
1 1 1  -13   29    6 o   76.603   17.215   83.341   32.130   90.682   44.935   75.661   45.958   77.482   22.127   70.972   22.834 6.510147 31.79603 
1 1 1  -13   29    7 o   44.416   17.507   18.818   28.582   5.0876   39.057   34.649   41.938   44.602   19.244   54.970   21.340 -10.36815 28.73550 
1 1 1  -13   29    8 o   33.068   15.025 -12.3841   27.051  -4.2534   36.777 -21.9677   39.928   41.098   18.177   38.715   17.838 2.382568 25.46733 
1 1 1  -13   29    9 o   73.329   20.433   77.854   38.811   94.160   57.533   64.236   52.577   78.812   25.568   67.865   24.373 10.94758 35.32402 
1 1 1  -13   29   10 o   43.833   17.526   16.084   29.028   0.2727   38.431   37.088   44.293   43.375   18.900   57.073   21.994 -13.69739 28.99920 
1 1 1  -13   29   11 o   59.266   18.456   48.318   30.241   23.152   38.417   89.320   49.036   50.505   20.173   77.963   23.353 -27.45808 30.85931 
1 1 1  -13   29   12 o   78.171   17.657   85.125   33.654   79.258   42.852   94.568   54.365   74.215   21.731   79.996   24.718 -5.781403 32.91190 
1 1 1  -13   29   13 o  111.900   13.760  165.671   37.639  207.906   48.582  102.255   59.530  124.360   16.016   82.887   25.907 41.47306 30.45816 
1 1 1  -13   29   14 o   84.284   16.415   97.051   33.307   96.896   42.456   97.299   53.709   82.493   20.656   81.481   24.448 1.011513 32.00573 
1 1 1  -13   29   15 o   57.822   18.738   44.728   30.906   72.319   39.079  -1.3507   50.502   71.569   20.694   49.090   21.520 22.47942 29.85556 
1 1 1  -13   29   16 o   36.250   15.992  -5.3596   28.288  -2.0647   34.523 -12.0929   49.351   41.015   17.891   46.242   20.715 -5.226631 27.37155 
1 1 1  -13   29   17 o   65.415   23.668   54.904   49.690   68.139   53.134 -37.3844  140.308   70.695   24.580   71.123   33.004 -0.4285202 41.15146 
1 1 1  -13   29   18 o  104.482   23.154  156.990   58.823  162.983   64.336  126.451  145.235  105.534   24.828   93.965   38.595 11.56927 45.89130 
1 1 1  -13   29   19 o   74.251   20.176   77.542   38.387   99.798   54.113   54.998   54.462   82.869   24.464   66.431   24.655 16.43856 34.73253 
1 1 1  -13   29   20 o  197.283   11.927  502.742   58.484  515.898   76.248  483.941   91.152  197.567   15.581  188.290   19.677 9.277634 25.09867 
1 1 1  -13   29   21 o  121.327   13.491  193.181   40.183  181.383   50.638  213.242   66.033  115.314   18.188  122.753   22.365 -7.439621 28.82731 
1 1 1  -13   29   22 o  158.052   12.335  324.153   48.299  322.092   61.462  327.482   78.101  155.550   16.054  153.704   20.889 1.846375 26.34527 
1 1 1  -13   29   23 o  131.617   12.990  226.370   42.136  171.836   53.257  317.643   68.899  111.204   19.909  152.957   18.408 -41.75319 27.11481 
1 1 1  -13   29   24 o   90.020   16.490  110.183   35.702  120.794   44.639   91.343   59.479   92.824   19.858   79.385   26.009 13.43894 32.72352 
1 1 1  -13   29   25 o   88.039   18.746  107.878   39.949  148.294   54.392   60.540   58.866  101.865   22.024   68.791   25.612 33.07392 33.77934 
1 1 1  -13   29   26 o   70.414   19.338   69.611   35.044   75.899   41.634   54.329   64.905   73.066   21.427   67.993   26.506 5.073456 34.08324 
1 1 1  -13   29   27 f   51.503   18.437   32.232   30.064   23.244   36.451   51.353   53.166   50.034   19.755   64.566   24.281 -14.53210 31.30232 
1 1 1  -13   29   28 o   53.021   18.253   35.925   29.267   36.202   36.010   35.387   50.232   54.872   20.103   58.667   23.182 -3.795132 30.68456 
1 1 1  -13   29   29 o   89.524   16.101  109.165   34.672  112.469   43.483  103.397   57.454   89.063   20.036   83.311   25.351 5.751945 32.31291 
1 1 1  -13   29   30 f   48.109   17.783   26.402   28.277   18.958   33.877   43.501   51.342   47.282   18.923   61.357   23.670 -14.07441 30.30407 
1 1 1  -13   29   31 o  155.892   12.632  317.793   48.752  296.350   62.574  350.914   77.769  147.665   17.297  158.693   20.073 -11.02849 26.49765 
1 1 1  -13   29   32 o   75.811   17.977   80.648   33.516   67.061   41.058  107.783   58.024   68.645   21.525   84.531   25.422 -15.88631 33.31086 
1 1 1  -13   29   33 o   98.878   15.657  132.752   37.372  123.901   46.392  149.113   63.074   92.929   20.538   99.087   25.379 -6.158455 32.64796 
1 1 1  -13   29   34 o  105.189   15.474  149.972   39.432  161.214   49.393  130.217   65.478  107.002   19.190   91.379   26.892 15.62230 33.03709 
1 1 1  -13   29   35 o   86.802   17.303  105.201   36.190  122.285   44.612   72.323   61.887   92.287   19.940   71.401   26.324 20.88553 33.02423 
1 1 1  -13   29   36 o   99.299   15.661  134.895   37.546  141.075   46.021  122.593   64.927   99.526   19.213   87.929   26.986 11.59740 33.12707 
1 1 1  -13   29   37 o   71.184   17.913   72.374   31.816   64.040   37.598   93.396   59.715   66.432   20.560   77.592   26.082 -11.16007 33.21138 
1 1 1  -13   29   38 o   84.268   16.304   99.281   33.068   63.596   38.504  199.560   64.546   65.952   20.867  114.847   23.303 -48.89462 31.28044 
1 1 1  -13   30    1 o   50.786   23.175   3.3499   65.240   3.3499   65.240   0.0000   0.0000   50.786   23.175  ?   ?  0.000000 23.17475 
1 1 1  -13   30    2 o   45.537   20.880  -9.3249   53.810 -26.4642   59.423   68.747  126.826   44.701   20.983   69.212   31.853 -24.51063 38.14313 
1 1 1  -13   30    3 o   71.336   26.163   86.894   61.019   97.451   69.288   50.416  128.798   74.006   27.741   68.398   31.698 5.607933 42.12274 
1 1 1  -13   30    4 o   62.271   24.913   54.889   58.699   49.784   66.070   74.012  127.882   61.933   25.789   72.106   32.726 -10.17300 41.66637 
1 1 1  -13   30    5 o   71.025   25.935   82.079   59.862  108.892   67.093 -22.5842  132.557   79.136   27.614   63.336   30.200 15.79937 40.92196 
1 1 1  -13   30    6 o   88.061   16.233  109.812   34.381  123.770   48.677   95.916   48.567   89.463   21.953   77.734   23.231 11.72838 31.96273 
1 1 1  -13   30    7 o   80.655   16.964   93.003   33.084   98.551   46.173   87.149   47.428   79.752   22.310   74.683   23.089 5.069138 32.10603 
1 1 1  -13   30    8 o   77.359   17.270   85.677   32.518  101.273   44.989   68.616   47.056   81.570   21.705   67.576   23.151 13.99372 31.73463 
1 1 1  -13   30    9 o   66.231   18.549   63.589   31.898   55.583   42.886   73.502   47.722   62.527   22.059   69.813   23.317 -7.285671 32.09828 
1 1 1  -13   30   10 o  103.554   14.700  145.943   36.946  207.363   49.261   66.974   55.856  122.479   16.528   68.100   25.024 54.37888 29.98951 
1 1 1  -13   30   11 o   67.799   21.237   67.197   39.979   79.283   59.931   57.506   53.665   72.751   26.033   65.026   24.406 7.724854 35.68448 
1 1 1  -13   30   12 o  115.521   17.778  186.080   49.642  281.860   73.043  103.865   67.673  139.332   21.700   81.147   27.763 58.18526 35.23734 
1 1 1  -13   30   13 o   86.045   16.807  103.033   34.819   92.884   44.002  120.032   56.947   79.334   21.620   88.430   24.790 -9.096024 32.89334 
1 1 1  -13   30   14 o   35.049   15.720  -8.9533   28.518 -15.2547   36.246   1.2865   46.205   38.197   17.370   47.140   20.627 -8.942699 26.96610 
1 1 1  -13   30   15 o   50.727   18.369   31.457   29.942   21.346   37.427   49.434   49.904   49.301   19.833   62.463   23.518 -13.16220 30.76429 
1 1 1  -13   30   16 o   47.760   18.045   25.098   29.442   13.530   37.209   44.469   48.150   46.679   19.388   60.533   23.027 -13.85350 30.10246 
1 1 1  -13   30   17 o   43.680   17.555   15.296   29.292   15.521   36.286   14.876   49.633   46.967   19.292   52.200   22.082 -5.232834 29.32168 
1 1 1  -13   30   18 o   89.414   16.153  109.432   34.741   99.376   43.581  126.958   57.537   82.893   21.023   91.901   24.589 -9.007782 32.35086 
1 1 1  -13   30   19 o   50.905   18.838   30.275   31.752   45.830   38.198  -4.4996   57.115   59.141   20.824   50.726   22.532 8.414734 30.68129 
1 1 1  -13   30   20 o   45.182   19.887  -2.8612   43.512  -4.0731   45.434   10.562  151.205   45.806   20.234   76.389   35.017 -30.58290 40.44250 
1 1 1  -13   30   21 o  153.395   20.517  330.060   76.624  357.405   85.319  216.035  174.222  158.281   22.196  105.355   42.648 52.92613 48.07780 
1 1 1  -13   30   22 o  135.094   15.433  244.664   51.129  235.543   72.281  253.799   72.335  127.003   23.661  132.728   22.636 -5.724754 32.74520 
1 1 1  -13   30   23 o  128.385   13.624  217.933   43.011  206.777   54.530  236.303   69.972  122.322   18.423  127.882   22.745 -5.560081 29.27003 
1 1 1  -13   30   24 o  148.404   15.142  294.177   55.328  273.622   79.066  313.899   77.450  136.716   24.037  148.728   21.476 -12.01152 32.23291 
1 1 1  -13   30   25 o   92.344   20.317  121.832   45.580  121.832   45.580   0.0000   0.0000   92.344   20.317  ?   ?  0.000000 20.31738 
1 1 1  -13   30   26 o  104.242   15.072  146.366   38.095  165.077   47.634  113.161   63.456  109.163   18.109   85.900   26.731 23.26379 32.28759 
1 1 1  -13   30   27 o   53.305   18.766   36.180   31.020   18.756   37.842   71.870   54.160   48.706   19.818   71.093   24.810 -22.38669 31.75373 
1 1 1  -13   30   28 o   65.344   18.712   60.212   32.091   51.810   39.074   77.626   56.252   61.699   21.096   73.214   25.300 -11.51482 32.94146 
1 1 1  -13   30   29 o   89.182   16.520  109.526   35.437   86.160   43.750  154.096   60.424   76.797   21.799  101.437   24.193 -24.64085 32.56557 
1 1 1  -13   30   30 o   71.274   18.413   72.009   33.005   85.060   40.605   46.599   56.659   76.602   20.725   63.005   24.708 13.59683 32.24919 
1 1 1  -13   30   31 f  126.777   13.703  213.615   42.693  208.820   53.506  222.019   70.825  122.767   17.987  122.163   24.072 0.6035767 30.04998 
1 1 1  -13   30   32 o   56.004   18.782   42.310   30.964   60.730   37.173   0.5692   55.958   65.270   20.484   50.916   22.475 14.35351 30.40925 
1 1 1  -13   30   33 o   94.047   16.480  122.256   37.293  137.475   46.209   93.827   63.156   98.051   19.558   78.157   26.819 19.89442 33.19310 
1 1 1  -13   30   34 o  105.805   15.517  152.871   39.779  149.049   49.375  159.940   67.152  101.606   20.171  100.660   26.391 0.9461975 33.21720 
1 1 1  -13   30   35 o   76.015   18.291   82.895   34.300  101.688   41.500   42.385   60.930   83.340   20.160   61.824   25.150 21.51596 32.23304 
1 1 1  -13   30   36 o  116.856   15.117  186.297   43.079  200.122   53.652  161.211   72.273  118.635   18.732   98.752   28.013 19.88309 33.69894 
1 1 1  -13   30   37 o   85.406   16.816  103.052   34.588   73.888   40.966  175.458   64.549   70.184   21.418  105.603   24.885 -35.41901 32.83287 
1 1 1  -13   31    3 o   47.428   21.688  -1.3838   57.521   31.957   63.649 -149.9620  134.362   55.301   24.203   51.349   25.636 3.951836 35.25660 
1 1 1  -13   31    4 o   71.103   26.310   90.912   61.931   95.272   69.121   73.162  139.452   71.768   27.521   69.181   32.368 2.586960 42.48639 
1 1 1  -13   31    5 o   59.294   24.449   47.682   58.560   47.912   64.903   46.675  135.817   60.220   25.350   67.526   31.705 -7.306255 40.59323 
1 1 1  -13   31    6 o   88.227   26.884  138.503   64.579  162.790   72.981   50.861  138.636   93.865   28.574   69.165   32.332 24.70028 43.14923 
1 1 1  -13   31    7 o   67.640   25.491   73.365   58.657   84.786   64.972   23.035  136.389   71.093   26.820   67.124   31.597 3.969254 41.44440 
1 1 1  -13   31    8 o   51.273   18.371   35.563   29.854   30.331   43.422   40.254   41.112   52.461   21.272   55.281   21.219 -2.820202 30.04530 
1 1 1  -13   31    9 o   26.249   12.738 -39.2251   26.116 -58.3848   38.110 -22.2609   35.861   31.012   15.125   35.702   16.607 -4.690382 22.46219 
1 1 1  -13   31   10 o  109.160   14.772  164.150   39.233  194.338   53.426  128.818   57.799  115.445   19.207   88.923   24.991 26.52178 31.51903 
1 1 1  -13   31   11 o   59.011   19.064   50.157   32.009   69.250   43.166   26.833   47.709   67.603   22.158   53.263   22.025 14.33937 31.24185 
1 1 1  -13   31   12 o   57.603   19.280   46.884   32.628   62.105   42.636   25.370   50.688   64.853   22.038   53.927   22.533 10.92649 31.51811 
1 1 1  -13   31   13 o   98.675   16.361  135.924   38.903  146.622   49.134  117.947   63.692   99.794   20.405   84.822   26.838 14.97218 33.71428 
1 1 1  -13   31   14 o   81.372   21.143   99.094   43.353  171.852   64.186   38.059   58.788  104.772   24.900   59.801   24.558 44.97065 34.97283 
1 1 1  -13   31   15 o   87.559   17.306  108.286   36.499  120.932   47.016   89.107   57.903   90.196   21.227   75.719   25.682 14.47699 33.31923 
1 1 1  -13   31   16 o   50.174   18.600   30.489   30.978   37.249   39.354   19.478   50.228   55.132   20.855   52.811   22.270 2.320759 30.51036 
1 1 1  -13   31   17 o   66.858   18.601   64.221   32.189   24.899   40.244  134.054   53.630   51.100   20.563   94.164   23.004 -43.06434 30.85491 
1 1 1  -13   31   18 o   59.680   18.851   50.082   31.432   51.947   39.276   46.758   52.421   61.184   21.141   61.483   23.861 -0.2990265 31.87933 
1 1 1  -13   31   19 o   52.419   18.541   35.451   30.314   32.289   37.325   41.578   51.959   52.920   20.240   59.864   23.602 -6.943981 31.09223 
1 1 1  -13   31   20 o   87.123   16.917  105.933   35.478  133.643   44.561   57.956   58.634   96.831   19.107   66.196   25.356 30.63557 31.74936 
1 1 1  -13   31   21 o   63.366   19.045   57.093   32.573   79.021   40.757   18.323   54.194   73.394   21.108   54.187   23.006 19.20681 31.22246 
1 1 1  -13   31   22 o   71.183   19.154   72.872   34.795   82.523   42.394   52.956   60.903   74.839   21.529   65.209   25.603 9.630737 33.45144 
1 1 1  -13   31   23 o   92.506   40.333  151.541  175.262   0.0000   0.0000  151.541  175.262  ?   ?    92.506   40.333 0.000000 40.33310 
1 1 1  -13   31   24 o   72.396   24.142   77.581   51.163   95.417   53.203 -141.7456  186.565   79.238   24.447   68.109   33.271 11.12905 41.28678 
1 1 1  -13   31   25 o   43.090   19.114  -4.9096   40.965 -10.9566   41.997  113.593  185.915   42.187   18.987   88.569   39.897 -46.38222 44.18425 
1 1 1  -13   31   26 o   77.376   20.112   86.973   39.220   91.919   50.855   79.713   61.611   78.042   23.872   73.493   26.385 4.548737 35.58169 
1 1 1  -13   31   27 o   56.596   18.984   43.535   31.636   41.160   38.523   48.454   55.441   56.789   20.795   62.857   24.499 -6.067837 32.13409 
1 1 1  -13   31   28 o  173.258   12.665  395.247   54.415  375.233   68.887  428.457   88.737  165.531   16.902  173.060   20.961 -7.528534 26.92649 
1 1 1  -13   31   29 o   82.789   17.801   96.937   35.707  110.870   43.838   69.471   61.551   87.181   20.484   70.043   26.168 17.13761 33.23155 
1 1 1  -13   31   30 o  106.647   15.139  154.727   39.186  111.507   47.977  241.342   67.919   86.375   22.140  128.404   21.972 -42.02882 31.19200 
1 1 1  -13   31   31 o   82.173   18.182   96.325   36.322  105.789   44.407   77.193   63.135   84.565   21.098   72.235   26.595 12.32938 33.94713 
1 1 1  -13   31   32 o   50.443   18.517   31.392   30.573   46.207   36.353  -4.4016   56.508   58.161   20.325   49.585   22.192 8.575790 30.09326 
1 1 1  -13   31   33 o   88.822   16.760  110.721   35.812  115.246   43.564  101.288   62.894   88.621   20.142   79.596   26.767 9.024544 33.49915 
1 1 1  -13   31   34 o   81.137   17.978   94.559   35.468   63.643   42.634  164.046   63.917   65.758   22.039  101.778   25.266 -36.01965 33.52716 
1 1 1  -13   31   35 o  138.651   14.160  260.158   48.338  257.828   60.521  264.263   80.333  134.523   18.506  129.115   25.818 5.407852 31.76501 
1 1 1  -13   32    5 o   77.148   27.786  120.419   68.379  154.145   76.431 -14.8216  153.053   85.074   29.485   60.564   29.700 24.50965 41.85069 
1 1 1  -13   32    6 o   61.295   25.179   59.255   61.822   50.123   67.913  103.429  149.362   59.690   25.558   70.783   33.238 -11.09300 41.92875 
1 1 1  -13   32    7 o   75.552   27.294  107.439   66.045  148.470   73.098 -74.9468  154.114   86.831   28.852   59.018   29.110 27.81269 40.98574 
1 1 1  -13   32    8 o   47.961   21.675   1.2591   55.390   14.106   59.973 -73.2916  144.472   51.784   23.042   58.667   28.787 -6.882927 36.87319 
1 1 1  -13   32    9 o   50.823   22.391   13.944   55.282   35.861   59.869 -112.8688  144.012   56.867   24.164   56.800   28.039 0.6756210E-01 37.01426 
1 1 1  -13   32   10 o   47.786   21.682  -3.7858   56.086  -6.8479   60.955   13.117  143.213   48.829   22.328   66.463   31.607 -17.63402 38.69804 
1 1 1  -13   32   11 o   39.321   16.937   5.0807   30.150   4.4043   41.967   5.8021   43.342   44.512   19.563   45.410   19.921 -0.8981323 27.92042 
1 1 1  -13   32   12 o   61.579   19.531   56.532   33.716   66.719   45.983   44.687   49.582   65.704   22.865   58.317   23.036 7.387329 32.45678 
1 1 1  -13   32   13 o   70.032   19.088   73.304   34.295   90.794   45.335   49.905   52.437   75.980   22.381   60.625   23.771 15.35456 32.64934 
1 1 1  -13   32   14 o   51.158   18.946   33.665   32.126   7.0793   41.462   73.602   50.818   45.409   19.709   68.772   24.031 -23.36312 31.07956 
1 1 1  -13   32   15 o   56.259   19.257   44.568   32.557   68.170   41.427   6.4517   52.647   67.072   21.690   49.626   21.858 17.44551 30.79350 
1 1 1  -13   32   16 o   77.699   22.224   93.236   45.296   81.856   64.897  104.045   63.251   72.135   26.885   79.312   26.842 -7.176956 37.99108 
1 1 1  -13   32   17 o   74.500   22.529   85.511   45.478  116.284   68.096   60.734   61.102   83.129   27.853   65.868   25.706 17.26066 37.90224 
1 1 1  -13   32   18 o   40.908   17.258   8.2630   30.186   8.7619   37.767   7.3805   50.231   44.651   19.088   49.315   21.545 -4.663586 28.78374 
1 1 1  -13   32   19 o   57.636   19.111   46.799   32.077   49.338   39.888   42.152   53.968   59.578   21.247   59.626   23.876 -0.4832840E-01 31.96103 
1 1 1  -13   32   20 o   89.187   16.702  111.874   35.832  116.848   44.591  102.808   60.200   88.803   20.520   80.002   26.164 8.800980 33.25134 
1 1 1  -13   32   21 o   45.097   18.033   18.802   30.737   6.0371   37.890   43.369   52.563   44.069   18.984   59.876   23.697 -15.80751 30.36353 
1 1 1  -13   32   22 o   48.755   20.138   18.926   39.821   12.752   61.460   23.393   52.277   54.586   23.840   54.246   22.789 0.3402290 32.98004 
1 1 1  -13   32   23 o   36.315   16.278  -7.9758   30.527   10.831   36.668 -50.4528   55.106   44.983   19.001   41.121   19.570 3.861740 27.27717 
1 1 1  -13   32   24 o   66.981   19.329   65.309   34.125   56.342   42.383   81.837   57.541   62.935   21.949   73.070   25.569 -10.13457 33.69737 
1 1 1  -13   32   25 o   48.707   18.810   26.168   32.450   59.819   39.649 -42.1016   56.473   64.240   21.245   42.949   20.252 21.29099 29.35065 
1 1 1  -13   32   26 o   65.457   21.853   62.544   41.917   73.539   42.743 -213.8622  214.306   70.163   21.956   66.667   33.136 3.495926 39.75015 
1 1 1  -13   32   27 o   71.242   23.534   76.825   48.660   85.918   50.051 -79.9316  207.810   74.776   23.806   72.531   35.361 2.245155 42.62753 
1 1 1  -13   32   28 o  127.196   21.660  239.023   66.334  230.240   69.241  337.106  231.380  123.285   23.345  106.825   46.463 16.45942 51.99826 
1 1 1  -13   32   29 o   79.596   20.497   94.244   40.986   92.516   50.991   97.400   68.892   77.134   23.956   77.716   27.901 -0.5827408 36.77410 
1 1 1  -13   32   30 o   50.896   19.215   31.278   33.367   25.293   40.476   43.973   58.950   50.879   20.570   61.160   24.790 -10.28072 32.21287 
1 1 1  -13   32   31 o   44.408   18.217   15.511   32.306   22.201   38.528  -0.3301   59.290   49.113   19.992   50.880   22.755 -1.766563 30.28932 
1 1 1  -13   32   32 o   96.463   17.106  131.871   39.698  136.430   48.680  122.820   68.590   95.387   21.005   85.126   27.932 10.26031 34.94882 
1 1 1  -13   32   33 o   92.558   17.303  122.310   38.523  132.071   46.604  101.255   68.448   94.037   20.430   77.823   27.824 16.21350 34.51925 
1 1 1  -13   32   34 o   62.725   19.549   58.181   33.924   45.582   39.565   93.156   65.921   57.457   21.068   75.037   27.244 -17.58051 34.43966 
1 1 1  -13   33    7 o   53.858   23.830   32.380   63.273   91.723   68.928 -285.3623  159.497   67.603   27.014   48.089   24.463 19.51431 36.44484 
1 1 1  -13   33    8 o   49.475   22.322   11.870   58.466   10.483   63.246   20.021  153.314   50.351   22.915   62.471   30.438 -12.12013 38.09957 
1 1 1  -13   33    9 o   48.014   22.006  -0.3331   59.687   7.3948   64.682 -44.6508  154.898   50.625   23.091   59.520   29.324 -8.894894 37.32417 
1 1 1  -13   33   10 o   55.300   23.903   33.762   60.476   23.105   65.378   96.943  159.183   54.050   24.054   70.884   33.597 -16.83411 41.31945 
1 1 1  -13   33   11 o   61.067   25.036   55.630   60.968   47.915   65.519  105.444  166.492   59.699   25.319   72.865   34.484 -13.16537 42.78083 
1 1 1  -13   33   12 o   47.969   21.513   4.4090   53.397   16.702   56.750 -90.5066  157.690   51.499   22.688   59.413   29.331 -7.913712 37.08135 
1 1 1  -13   33   13 o   33.335   15.389 -15.5461   29.931  -1.1379   41.475 -31.2050   43.237   42.594   19.042   37.429   17.671 5.164307 25.97757 
1 1 1  -13   33   14 o   78.902   18.688   93.739   36.253  146.222   48.760   28.864   54.212   97.388   20.688   54.202   23.012 43.18525 30.94405 
1 1 1  -13   33   15 o   42.698   17.924   12.567   32.298   36.338   42.167 -21.1745   50.238   53.817   21.248   42.524   19.739 11.29303 29.00162 
1 1 1  -13   33   16 o   63.883   19.564   61.644   34.143   82.598   44.397   31.310   53.416   72.100   22.347   55.073   23.081 17.02628 32.12642 
1 1 1  -13   33   17 o   40.841   17.427   7.6369   31.377   0.7415   39.564   19.325   51.509   42.697   18.870   51.707   22.202 -9.009735 29.13798 
1 1 1  -13   33   18 o   44.448   18.480   15.056   33.853 -11.9736   42.506   61.940   55.982   41.195   18.763   64.616   24.770 -23.42125 31.07400 
1 1 1  -13   33   19 o   81.281   22.312  103.688   46.665  144.632   69.836   70.660   62.724   90.920   28.002   67.890   26.170 23.03012 38.32732 
1 1 1  -13   33   20 o   51.230   20.585   28.261   40.264  100.221   61.507 -25.7015   53.263   77.451   26.468   43.488   20.232 33.96289 33.31556 
1 1 1  -13   33   21 o   77.506   22.156   93.553   45.031   32.212   68.180  141.017   59.974   59.382   25.522   92.865   25.213 -33.48333 35.87607 
1 1 1  -13   33   22 o   95.002   17.285  129.018   39.497  167.942   49.196   58.430   66.250  107.303   19.058   65.293   26.345 42.00990 32.51550 
1 1 1  -13   33   23 o   52.279   19.264   35.569   33.134   69.851   41.114 -27.9460   55.963   67.779   21.575   44.358   20.671 23.42108 29.87949 
1 1 1  -13   33   24 o   46.608   18.632   21.632   32.803   2.2814   40.079   60.894   57.089   43.659   19.155   65.018   24.993 -21.35931 31.48865 
1 1 1  -13   33   25 o  101.134   16.150  143.488   39.416  172.516   48.918   89.763   66.551  109.223   18.602   74.214   27.308 35.00900 33.04161 
1 1 1  -13   33   26 o  107.481   15.684  160.845   40.857  155.787   50.615  170.305   69.220  102.147   20.555  100.857   26.964 1.290077 33.90461 
1 1 1  -13   33   27 o   47.725   18.760   24.707   32.733   11.531   39.231   54.896   59.383   45.787   19.510   63.471   25.166 -17.68426 31.84313 
1 1 1  -13   33   28 o   52.635   19.427   36.245   33.723   42.251   40.522   22.712   60.822   56.336   21.196   55.604   24.003 0.7326889 32.02153 
1 1 1  -13   33   29 o   35.263   15.925  -9.1406   29.844   2.4559   34.606 -42.7927   58.951   41.043   17.908   43.208   20.469 -2.165615 27.19706 
1 1 1  -13   33   30 o   56.284   20.945   43.052   39.355   33.152   39.876  414.169  244.146   52.733   20.713  104.840   46.578 -52.10668 50.97541 
1 1 1  -13   33   31 o   39.411   17.504  -2.8247   34.453  -7.3313   34.797  222.365  245.971   38.436   17.292   87.926   41.699 -49.48930 45.14254 
1 1 1  -13   33   32 o   64.196   22.416   62.951   44.213   63.226   44.899   54.159  253.921   64.307   22.581   77.523   38.065 -13.21648 44.25872 
1 1 1  -13   34    9 o   41.333   19.924 -40.2830   61.281 -43.8757   66.068 -18.1499  163.983   42.338   20.476   57.945   28.831 -15.60647 35.36237 
1 1 1  -13   34   10 o   56.795   24.678   47.740   65.143   35.956   70.153  121.520  175.537   55.074   24.683   67.481   32.809 -12.40637 41.05699 
1 1 1  -13   34   11 o   51.826   23.280   21.515   62.785   26.720   67.065 -15.4095  178.617   53.545   24.056   61.070   30.337 -7.525055 38.71682 
1 1 1  -13   34   12 o   57.365   24.368   47.120   60.852   62.919   64.760 -72.0606  177.866   61.416   25.549   59.250   29.568 2.165726 39.07714 
1 1 1  -13   34   13 o   71.388   26.529   96.927   63.096  112.143   67.722  -3.1856  173.705   75.236   27.568   63.280   31.152 11.95613 41.59849 
1 1 1  -13   34   14 o   48.877   21.931   9.2983   55.554   10.277   58.651   0.7584  173.226   49.899   22.450   64.295   31.543 -14.39537 38.71622 
1 1 1  -13   34   15 o   48.476   19.842   26.145   38.217 -25.4912   58.713   64.107   50.342   44.131   20.760   62.700   23.618 -18.56847 31.44526 
1 1 1  -13   34   16 o   49.690   19.162   32.176   33.639 -28.1119   44.709  110.828   51.066   38.365   18.069   80.570   23.760 -42.20527 29.84960 
1 1 1  -13   34   17 o   84.744   18.992  109.618   39.195  152.300   50.791   46.775   61.630   98.078   21.344   59.259   24.811 38.81935 32.72846 
1 1 1  -13   34   18 o   37.192   16.715  -5.3763   32.416   6.3020   41.438 -23.7923   52.036   44.284   19.451   42.401   19.817 1.882710 27.76813 
1 1 1  -13   34   19 o   94.611   17.432  131.305   39.667  187.436   50.730   42.988   63.633  112.144   18.779   59.133   25.008 53.01109 31.27365 
1 1 1  -13   34   20 o   48.293   19.361   25.951   35.531 -14.2621   45.078   91.917   57.735   41.411   19.033   73.131   25.611 -31.71914 31.90889 
1 1 1  -13   34   21 o   88.858   18.888  118.538   40.621  126.091   50.951  105.363   67.293   88.158   22.928   76.604   27.567 11.55447 35.85587 
1 1 1  -13   34   22 o  112.676   20.662  193.896   55.995  317.126   84.004   95.362   75.117  139.027   25.121   73.369   28.539 65.65761 38.02008 
1 1 1  -13   34   23 o   65.063   22.596   66.456   44.896   95.105   69.226   45.660   58.981   73.666   27.706   59.561   24.545 14.10568 37.01476 
1 1 1  -13   34   24 o   57.300   19.811   48.156   34.494   45.120   42.295   54.185   59.608   56.868   21.594   61.963   24.994 -5.094734 33.03015 
1 1 1  -13   34   25 o   44.864   18.399   18.192   32.944   17.571   39.750   19.553   58.873   47.137   19.841   53.411   23.330 -6.274223 30.62552 
1 1 1  -13   34   26 o   62.593   20.179   59.685   35.878   43.518   43.259   95.315   64.219   56.438   21.740   74.141   26.894 -17.70285 34.58173 
1 1 1  -13   34   27 o  132.631   14.444  243.492   47.067  255.268   58.572  222.029   79.077  132.208   18.226  111.779   28.302 20.42918 33.66243 
1 1 1  -13   34   28 o   70.891   19.824   77.353   36.465   68.548   43.829   97.152   65.727   65.882   22.344   74.409   27.175 -8.526665 35.18124 
1 1 1  -13   34   29 o   64.227   20.016   63.416   35.562   58.346   42.517   75.223   64.885   61.720   21.944   67.845   26.487 -6.125141 34.39582 
1 1 1  -13   35   12 o   60.911   25.549   73.024   65.538   49.868   69.487  259.536  197.209   56.141   24.900   71.610   34.808 -15.46967 42.79679 
1 1 1  -13   35   13 o   46.056   21.371  -0.8328   58.820  -7.9175   61.953   63.956  187.348   45.758   21.461   62.705   31.135 -16.94700 37.81498 
1 1 1  -13   35   14 o   65.617   25.977   85.424   63.184   77.774   66.981  147.207  190.353   63.372   26.141   68.266   33.402 -4.893627 42.41541 
1 1 1  -13   35   15 o   54.005   23.695   35.340   61.341   50.431   64.787 -95.3268  190.640   57.597   24.818   57.834   29.105 -0.2370071 38.24966 
1 1 1  -13   35   16 o   40.339   19.285 -36.3028   54.793 -40.8577   57.190   14.624  191.231   40.590   19.483   63.278   31.426 -22.68816 36.97556 
1 1 1  -13   35   17 o   55.426   23.603   41.089   57.351   39.096   60.037   61.874  193.909   55.338   23.868   66.498   32.771 -11.16007 40.54133 
1 1 1  -13   35   18 o   70.786   20.765   82.683   39.094  133.439   51.215   11.817   60.517   88.159   23.016   50.150   22.661 38.00889 32.29930 
1 1 1  -13   35   19 o   69.130   20.880   78.636   39.081   78.984   50.886   78.135   61.023   67.071   23.989   66.010   25.709 1.061546 35.16346 
1 1 1  -13   35   20 o   51.422   19.857   36.604   36.161   41.988   46.385   28.261   57.739   54.813   22.069   53.244   23.184 1.569065 32.00893 
1 1 1  -13   35   21 o   54.883   20.364   44.870   37.152   49.520   45.465   35.525   64.450   57.283   22.225   56.191   24.480 1.092628 33.06380 
1 1 1  -13   35   22 o   52.969   20.002   40.103   36.159   30.837   45.397   56.183   59.802   51.540   21.412   60.590   24.812 -9.049709 32.77391 
1 1 1  -13   35   23 o   46.893   19.047   24.375   34.876   40.793   44.047  -3.2172   57.101   54.417   21.643   47.162   21.582 7.255772 30.56489 
1 1 1  -13   35   24 o   51.782   19.973   36.609   36.554   51.436   44.961   7.6974   62.783   58.160   22.221   50.753   22.993 7.407333 31.97636 
1 1 1  -13   35   25 o   37.629   17.786 -30.0018   44.032 -21.8490   67.704 -35.9776   57.964   47.492   22.326   42.381   20.141 5.110611 30.06845 
1 1 1  -13   35   26 o   53.023   22.005   33.664   47.873  -0.4356   72.828   59.608   63.525   51.919   23.981   61.989   25.501 -10.07008 35.00581 
1 1 1  -12  -38    1 o   37.306   15.873   15.600   25.895  460.468  317.790   12.626   25.981   55.918   28.809   36.300   15.679 19.61733 32.79933 
1 1 1  -12  -38    2 o   24.275   11.631 -18.3493   20.172 -81.2114  321.576 -18.1010   20.211   47.846   24.814   24.356   11.662 23.48982 27.41818 
1 1 1  -12  -37    1 o   50.653   18.557   43.423   30.683 -42.8053  305.537   44.301   30.839   55.448   28.552   51.036   18.618 4.411945 34.08532 
1 1 1  -12  -37    2 o   57.120   19.636   60.760   33.865 -164.1689  316.540   63.364   34.060   52.095   26.915   58.260   19.698 -6.164749 33.35254 
1 1 1  -12  -37    3 o   50.311   18.537   46.105   30.682  217.486  333.641   44.643   30.813   54.066   27.922   49.653   18.522 4.412582 33.50690 
1 1 1  -12  -37    4 o   30.895   13.963   0.2557   22.989 -35.9327  344.199   0.4179   23.040   49.300   25.571   30.969   13.989 18.33045 29.14743 
1 1 1  -12  -36    1 o   85.062   19.111  118.370   39.604   90.818  110.553  122.427   42.420   63.047   29.271   85.248   20.231 -22.20069 35.58160 
1 1 1  -12  -36    2 o   38.245   15.884   14.398   24.971  219.662  107.417   2.6720   25.674   80.971   33.218   34.452   15.215 46.51866 36.53626 
1 1 1  -12  -36    3 o   87.129   21.007  135.967   45.174 -152.9693  307.581  142.337   45.669   55.015   28.344   89.542   20.819 -34.52736 35.16824 
1 1 1  -12  -36    4 o   52.678   19.072   49.242   32.272  260.499  334.597   47.258   32.423   58.314   30.020   51.787   19.060 6.527054 35.55979 
1 1 1  -12  -36    5 o   69.646   20.976   95.221   39.482  288.304  360.671   92.879   39.721   55.532   28.692   68.429   21.125 -12.89693 35.62992 
1 1 1  -12  -35    1 o   45.811   17.241   28.289   26.816 -36.8500  106.509   32.698   27.709   52.977   25.711   48.024   17.628 4.953896 31.17406 
1 1 1  -12  -35    2 o   99.428   19.540  158.199   46.785 -17.3808  117.465  191.303   51.005   55.146   26.818  109.849   19.298 -54.70317 33.03972 
1 1 1  -12  -35    3 o   48.232   17.722   34.609   28.015   79.620  115.022   31.770   28.885   62.640   29.336   47.049   17.850 15.59081 34.33971 
1 1 1  -12  -35    4 o   47.591   17.850   34.089   28.696   0.0000   0.0000   34.089   28.696  ?   ?    47.591   17.850 0.000000 17.85024 
1 1 1  -12  -35    5 o   89.016   21.661  143.205   47.693   0.0000   0.0000  143.205   47.693  ?   ?    89.016   21.661 0.000000 21.66082 
1 1 1  -12  -34    1 o   81.515   18.846  101.461   37.596   59.754  103.831  107.754   40.332   66.053   29.779   83.380   19.686 -17.32741 35.69779 
1 1 1  -12  -34    2 o   54.253   25.981 -26.1539  100.387 -26.1539  100.387   0.0000   0.0000   54.253   25.981  ?   ?  0.000000 25.98124 
1 1 1  -12  -34    3 o   70.616   19.298   79.574   34.999   44.394  109.103   83.610   36.952   61.876   28.844   71.924   19.901 -10.04758 35.04276 
1 1 1  -12  -34    4 o  121.094   18.436  226.530   53.989  100.234  116.461  261.102   60.932   67.391   30.833  128.563   19.599 -61.17236 36.53508 
1 1 1  -12  -34    5 o   51.300   18.561   40.553   30.559   0.0000   0.0000   40.553   30.559  ?   ?    51.300   18.561 0.000000 18.56071 
1 1 1  -12  -34    6 o   81.962   20.784  115.812   42.601   0.0000   0.0000  115.812   42.601  ?   ?    81.962   20.784 0.000000 20.78389 
1 1 1  -12  -34    7 o   43.363   17.302   25.220   28.233   0.0000   0.0000   25.220   28.233  ?   ?    43.363   17.302 0.000000 17.30197 
1 1 1  -12  -34    8 o   56.471   19.603   57.307   33.788   0.0000   0.0000   57.307   33.788  ?   ?    56.471   19.603 0.000000 19.60250 
1 1 1  -12  -33    1 o   84.592   18.728  105.549   38.516   22.188  103.339  118.997   41.507   64.032   29.199   89.686   19.117 -25.65411 34.90059 
1 1 1  -12  -33    2 o   97.989   18.294  141.230   43.117   42.035  104.240  161.705   47.358   65.636   29.692  104.543   18.833 -38.90692 35.16096 
1 1 1  -12  -33    3 o   58.494   27.264   4.1952   97.442   4.1952   97.442   0.0000   0.0000   58.494   27.264  ?   ?  0.000000 27.26422 
1 1 1  -12  -33    4 o   57.781   18.545   50.843   30.327   31.385   93.294   53.143   32.068   60.284   27.587   58.799   19.090 1.484974 33.54786 
1 1 1  -12  -33    5 o   92.691   18.823  132.752   42.081   64.286  105.892  145.592   45.858   64.610   29.499   96.270   19.738 -31.66042 35.49361 
1 1 1  -12  -33    6 o   36.195   15.452   6.9958   24.689   84.804   99.672   1.9098   25.483   65.865   29.477   34.879   15.289 30.98657 33.20554 
1 1 1  -12  -33    7 o   49.045   18.308   35.313   30.115   0.0000   0.0000   35.313   30.115  ?   ?    49.045   18.308 0.000000 18.30764 
1 1 1  -12  -33    8 o   78.872   20.913  107.644   41.859   0.0000   0.0000  107.644   41.859  ?   ?    78.872   20.913 0.000000 20.91268 
1 1 1  -12  -33    9 o   55.109   19.570   52.010   33.805   0.0000   0.0000   52.010   33.805  ?   ?    55.109   19.570 0.000000 19.56966 
1 1 1  -12  -32    1 o   47.909   17.426   28.035   26.987  -5.0264   96.774   30.822   28.102   61.611   28.158   49.563   17.817 12.04822 33.32105 
1 1 1  -12  -32    2 o   56.173   18.215   44.270   29.201  124.675   95.463   35.969   30.672   84.123   32.323   52.311   18.634 31.81212 37.30930 
1 1 1  -12  -32    3 o  104.972   18.116  158.586   45.772   34.091  104.411  188.203   50.926   66.440   29.916  114.226   18.485 -47.78603 35.16668 
1 1 1  -12  -32    4 o   51.282   24.433 -47.0482   86.394 -47.0482   86.394   0.0000   0.0000   51.282   24.433  ?   ?  0.000000 24.43284 
1 1 1  -12  -32    5 o   33.609   14.590   1.1536   22.731 -71.0513   89.863   6.0894   23.495   49.021   23.750   35.892   15.188 13.12965 28.19160 
1 1 1  -12  -32    6 o   52.925   17.982   40.987   28.389  152.490   96.580   30.442   29.701   82.744   32.311   48.124   18.138 34.62015 37.05437 
1 1 1  -12  -32    7 o   79.185   19.173   98.240   37.508   74.537  101.904  101.955   40.340   66.204   29.704   79.766   20.224 -13.56232 35.93503 
1 1 1  -12  -32    8 o   40.433   16.596   15.571   26.829   0.0000   0.0000   15.571   26.829  ?   ?    40.433   16.596 0.000000 16.59562 
1 1 1  -12  -32    9 o   68.114   20.490   78.305   37.690   0.0000   0.0000   78.305   37.690  ?   ?    68.114   20.490 0.000000 20.48981 
1 1 1  -12  -32   10 o   72.960   21.014   92.999   40.369   0.0000   0.0000   92.999   40.369  ?   ?    72.960   21.014 0.000000 21.01430 
1 1 1  -12  -31    1 o   63.492   18.845   56.233   32.042 -48.7099   91.710   70.824   34.197   56.220   26.286   70.831   18.959 -14.61078 32.40989 
1 1 1  -12  -31    2 o   54.708   18.626   39.568   30.458   0.0000   0.0000   39.568   30.458  ?   ?    54.708   18.626 0.000000 18.62605 
1 1 1  -12  -31    3 o   42.742   16.754   17.378   26.042   43.825   92.699   15.112   27.134   68.904   29.688   42.301   16.933 26.60300 34.17775 
1 1 1  -12  -31    4 o   52.498   18.215   36.720   29.171   57.677   87.434   34.095   30.944   69.561   29.360   51.634   18.678 17.92718 34.79782 
1 1 1  -12  -31    5 o   48.576   17.750   29.753   28.048   20.220   88.160   30.827   29.585   61.859   27.700   49.469   18.207 12.39004 33.14773 
1 1 1  -12  -31    6 o   54.249   18.572   41.546   30.284 -91.1014   91.411   57.900   32.097   48.485   23.597   62.424   18.938 -13.93971 30.25657 
1 1 1  -12  -31    7 o   24.929   11.870 -22.6220   20.322   53.264   92.551 -26.4661   20.831   65.390   28.882   24.498   11.759 40.89263 31.18414 
1 1 1  -12  -31    8 o   36.942   15.621   7.4088   24.821  139.833   98.345  -1.6004   25.651   80.012   32.163   34.349   15.187 45.66303 35.56844 
1 1 1  -12  -31    9 o   38.611   16.172   10.711   26.201   0.0000   0.0000   10.711   26.201  ?   ?    38.611   16.172 0.000000 16.17242 
1 1 1  -12  -31   10 o   65.829   20.243   71.077   36.514   0.0000   0.0000   71.077   36.514  ?   ?    65.829   20.243 0.000000 20.24343 
1 1 1  -12  -31   11 o   84.131   20.972  118.884   43.905   0.0000   0.0000  118.884   43.905  ?   ?    84.131   20.972 0.000000 20.97183 
1 1 1  -12  -31   12 o   21.913   10.722 -32.3566   19.619   0.0000   0.0000 -32.3566   19.619  ?   ?    21.913   10.722 0.000000 10.72222 
1 1 1  -12  -30    1 o   60.178   18.666   48.764   30.970   88.563   89.325   43.326   33.018   81.949   31.319   57.794   19.395 24.15548 36.83780 
1 1 1  -12  -30    2 o  124.761   18.075  211.675   54.673 -32.2772  106.963  297.952   63.610   63.637   29.275  148.727   17.459 -85.08994 34.08562 
1 1 1  -12  -30    3 o  107.806   19.179  161.662   49.740   0.0000   0.0000  161.662   49.740  ?   ?   107.806   19.179 0.000000 19.17903 
1 1 1  -12  -30    4 o   93.836   18.825  123.822   42.578 -45.0031   92.179  169.610   48.006   56.489   26.393  110.711   17.981 -54.22236 31.93570 
1 1 1  -12  -30    5 o   87.194   18.259  107.586   38.482   60.614   90.157  118.050   42.553   72.003   30.066   90.827   19.353 -18.82369 35.75622 
1 1 1  -12  -30    6 f   44.377   17.074   20.872   26.658   20.200   87.744   20.940   27.980   63.025   27.965   44.942   17.435 18.08332 32.95530 
1 1 1  -12  -30    7 o   62.014   28.151   11.370   94.673   11.370   94.673   0.0000   0.0000   62.014   28.151  ?   ?  0.000000 28.15054 
1 1 1  -12  -30    8 o   88.616   18.444  115.308   39.488  135.448   98.794  111.479   43.079   83.428   32.652   85.657   20.427 -2.229210 38.51460 
1 1 1  -12  -30    9 o   26.987   12.635 -17.4406   21.313  -6.9119   91.894 -18.0392   21.911   56.686   26.440   27.304   12.792 29.38229 29.37207 
1 1 1  -12  -30   10 o  110.442   18.582  182.756   49.428   63.828  109.198  213.402   55.431   66.948   30.328  118.649   19.378 -51.70062 35.98999 
1 1 1  -12  -30   11 o   46.820   18.218   27.595   30.620   0.0000   0.0000   27.595   30.620  ?   ?    46.820   18.218 0.000000 18.21821 
1 1 1  -12  -30   12 o   41.431   17.134   16.052   28.880   0.0000   0.0000   16.052   28.880  ?   ?    41.431   17.134 0.000000 17.13418 
1 1 1  -12  -30   13 o   84.813   21.063  121.200   44.409   0.0000   0.0000  121.200   44.409  ?   ?    84.813   21.063 0.000000 21.06346 
1 1 1  -12  -29    1 o   88.740   17.869  106.590   38.228  107.830   90.009  106.317   42.226   88.635   31.884   88.010   19.704 0.6247406 37.48091 
1 1 1  -12  -29    2 o  152.627   16.713  308.096   62.658  145.601  112.688  380.819   75.386   98.897   35.663  169.046   18.142 -70.14894 40.01255 
1 1 1  -12  -29    3 o   53.105   18.533   34.659   30.219   72.500   90.216   29.877   32.072   78.591   31.064   51.495   18.956 27.09600 36.39060 
1 1 1  -12  -29    4 o  309.916   25.873  1375.96  198.402   0.0000   0.0000  1375.96  198.402  ?   ?   309.916   25.873 0.000000 25.87263 
1 1 1  -12  -29    5 o   37.690   15.921   4.1372   25.743 -23.8840   84.365   7.0140   27.032   57.622   26.317   39.532   16.481 18.09052 31.05221 
1 1 1  -12  -29    6 o   72.397   18.782   74.167   34.246   79.872   91.850   73.246   36.907   77.670   31.132   71.649   19.912 6.020287 36.95498 
1 1 1  -12  -29    7 o   88.682   17.750  110.403   37.936  179.373   95.638   97.525   41.326  101.558   32.967   81.963   20.298 19.59543 38.71429 
1 1 1  -12  -29    8 o   65.751   28.591   35.789   87.566   35.789   87.566   0.0000   0.0000   65.751   28.591  ?   ?  0.000000 28.59063 
1 1 1  -12  -29    9 o   40.795   16.664   12.686   26.887 -70.1292   91.120   20.584   28.140   51.231   24.592   44.563   17.430 6.668465 30.14242 
1 1 1  -12  -29   10 o   42.357   17.001   16.709   27.433  -9.7465   94.244   19.158   28.674   57.895   26.928   43.855   17.456 14.04057 32.09074 
1 1 1  -12  -29   11 o   70.909   19.248   76.764   34.956   95.584  101.909   74.255   37.213   73.236   31.332   69.170   20.250 4.065857 37.30626 
1 1 1  -12  -29   12 f   46.916   18.010   27.570   29.618   0.0000   0.0000   27.570   29.618  ?   ?    46.916   18.010 0.000000 18.00951 
1 1 1  -12  -29   13 o   47.004   18.403   27.637   31.391   0.0000   0.0000   27.637   31.391  ?   ?    47.004   18.403 0.000000 18.40272 
1 1 1  -12  -29   14 o   87.416   21.183  126.396   45.756   0.0000   0.0000  126.396   45.756  ?   ?    87.416   21.183 0.000000 21.18276 
1 1 1  -12  -28    1 o   59.489   26.388 -12.4029   78.061 -12.4029   78.061   0.0000   0.0000   59.489   26.388  ?   ?  0.000000 26.38774 
1 1 1  -12  -28    2 o   85.973   19.131  100.573   40.013 -38.0867   89.632  135.084   44.716   59.423   27.135  100.168   18.560 -40.74517 32.87498 
1 1 1  -12  -28    3 o  187.422   17.370  462.453   80.371  198.816  132.249  616.842  101.204  112.956   38.806  215.615   18.990 -102.6598 43.20341 
1 1 1  -12  -28    4 o   83.111   18.698   94.555   37.867  107.470   88.446   91.657   41.902   88.042   31.613   81.287   20.613 6.754662 37.73922 
1 1 1  -12  -28    5 o  111.958   17.712  168.942   47.871   25.314   96.003  216.472   55.226   70.415   30.275  126.896   17.927 -56.48064 35.18499 
1 1 1  -12  -28    6 o  146.473   16.727  286.513   60.085  168.388  116.236  329.586   70.190  102.209   36.289  156.224   18.341 -54.01569 40.66036 
1 1 1  -12  -28    7 o  108.454   17.334  160.251   45.364   93.559   97.054  178.894   51.314   82.593   32.352  113.983   18.675 -31.38960 37.35532 
1 1 1  -12  -28    8 o  101.479   17.352  141.790   42.393  137.472   96.242  142.830   47.221   91.849   32.977  100.697   19.483 -8.848152 38.30225 
1 1 1  -12  -28    9 o   55.711   25.769 -28.6079   84.526 -28.6079   84.526   0.0000   0.0000   55.711   25.769  ?   ?  0.000000 25.76896 
1 1 1  -12  -28   10 o   63.988   19.411   59.137   33.723   43.111   94.646   61.467   36.091   68.242   29.699   65.046   20.146 3.196297 35.88736 
1 1 1  -12  -28   11 o  113.822   18.610  186.454   51.067   10.967  108.793  236.047   57.835   64.505   29.618  128.292   18.594 -63.78747 34.97146 
1 1 1  -12  -28   12 o   41.311   16.975   13.372   28.108 -95.0287  103.150   22.067   29.213   51.209   24.954   45.193   17.736 6.016346 30.61499 
1 1 1  -12  -28   14 o   62.587   20.124   61.455   35.698   0.0000   0.0000   61.455   35.698  ?   ?    62.587   20.124 0.000000 20.12354 
1 1 1  -12  -28   15 f   47.906   18.389   30.295   30.878   0.0000   0.0000   30.295   30.878  ?   ?    47.906   18.389 0.000000 18.38878 
1 1 1  -12  -27    1 o  173.099   15.856  388.168   67.777  269.418  112.288  456.229   85.009  135.804   33.353  186.610   18.485 -50.80553 38.13347 
1 1 1  -12  -27    2 o  108.741   31.563  170.942   90.756  170.942   90.756   0.0000   0.0000  108.741   31.563  ?   ?  0.000000 31.56326 
1 1 1  -12  -27    3 o   74.350   19.469   75.066   36.573   25.220   82.439   87.280   40.809   68.313   28.654   79.956   20.379 -11.64320 35.16163 
1 1 1  -12  -27    4 o   85.391   18.736   98.872   38.855   34.695   86.144  115.263   43.535   71.113   29.516   92.088   19.537 -20.97449 35.39579 
1 1 1  -12  -27    5 o  126.763   17.782  213.682   54.739 -24.2512   99.344  317.414   65.595   64.482   29.094  155.167   17.219 -90.68502 33.80792 
1 1 1  -12  -27    6 o  120.097   16.483  191.189   48.131  158.477   97.237  201.804   55.392  102.614   33.235  122.464   18.706 -19.85053 38.13788 
1 1 1  -12  -27    7 o   72.113   20.262   72.019   37.999   0.0000   0.0000   72.019   37.999  ?   ?    72.113   20.262 0.000000 20.26208 
1 1 1  -12  -27    8 f  107.795   18.615  159.003   48.297 -38.3932   97.466  223.246   55.603   60.424   27.851  128.565   17.796 -68.14043 33.05164 
1 1 1  -12  -27    9 o  109.882   17.842  165.237   47.277   42.351   98.949  201.589   53.818   72.467   30.935  121.300   18.339 -48.83313 35.96260 
1 1 1  -12  -27   10 o   83.358   19.219   98.538   39.188   36.266   94.340  111.523   43.081   69.327   29.910   88.416   19.982 -19.08869 35.97089 
1 1 1  -12  -27   11 o   66.829   21.297   64.366   40.052   0.0000   0.0000   64.366   40.052  ?   ?    66.829   21.297 0.000000 21.29725 
1 1 1  -12  -27   12 o   73.419   31.169   70.008   99.452   70.008   99.452   0.0000   0.0000   73.419   31.169  ?   ?  0.000000 31.16868 
1 1 1  -12  -27   13 o   57.588   19.221   47.374   32.429   34.546   99.292   48.906   34.311   65.845   29.447   58.433   19.770 7.411839 35.46815 
1 1 1  -12  -27   14 o  125.283   19.985  234.097   60.422   0.0000   0.0000  234.097   60.422  ?   ?   125.283   19.985 0.000000 19.98462 
1 1 1  -12  -27   15 o  184.719   21.521  528.099   97.410   0.0000   0.0000  528.099   97.410  ?   ?   184.719   21.521 0.000000 21.52083 
1 1 1  -12  -27   16 o  135.042   20.351  282.152   66.497   0.0000   0.0000  282.152   66.497  ?   ?   135.042   20.351 0.000000 20.35058 
1 1 1  -12  -27   17 o   52.724   19.418   41.039   33.661   0.0000   0.0000   41.039   33.661  ?   ?    52.724   19.418 0.000000 19.41794 
1 1 1  -12  -26    1 o   81.671   18.952   89.713   37.907 -29.9740   76.556  128.588   43.631   56.495   25.511   98.263   18.458 -41.76808 31.48860 
1 1 1  -12  -26    2 f   88.042   18.390  103.833   39.129   66.400   81.451  115.064   44.614   78.302   29.911   92.357   19.929 -14.05512 35.94211 
1 1 1  -12  -26    3 o   88.182   18.556  104.414   39.568   27.723   76.405  132.520   46.254   67.396   27.870   99.369   19.336 -31.97321 33.92105 
1 1 1  -12  -26    4 o   53.159   24.294 -37.2742   72.024 -37.2742   72.024   0.0000   0.0000   53.159   24.294  ?   ?  0.000000 24.29362 
1 1 1  -12  -26    5 f  128.359   16.419  215.913   51.423  136.658   94.165  249.591   61.383   98.362   32.750  137.385   18.351 -39.02266 37.54101 
1 1 1  -12  -26    6 o  111.690   16.727  164.883   45.218  148.169   88.983  170.702   52.502  101.165   31.683  112.690   19.354 -11.52423 37.12691 
1 1 1  -12  -26    7 o   78.929   19.320   85.199   37.773   27.295   87.792   98.353   41.844   69.756   29.430   84.646   20.096 -14.89034 35.63688 
1 1 1  -12  -26    8 o  162.754   19.025  354.384   75.863   0.0000   0.0000  354.384   75.863  ?   ?   162.754   19.025 0.000000 19.02489 
1 1 1  -12  -26    9 o  121.256   17.253  196.901   50.769   96.972  103.708  228.396   58.223   86.339   33.547  130.158   18.428 -43.81876 38.27534 
1 1 1  -12  -26   10 o   97.340   19.866  131.878   46.654   0.0000   0.0000  131.878   46.654  ?   ?    97.340   19.866 0.000000 19.86561 
1 1 1  -12  -26   11 o   67.378   29.293   23.596   91.893   23.596   91.893   0.0000   0.0000   67.378   29.293  ?   ?  0.000000 29.29318 
1 1 1  -12  -26   12 o   81.870   32.567   97.177   99.747   97.177   99.747   0.0000   0.0000   81.870   32.567  ?   ?  0.000000 32.56707 
1 1 1  -12  -26   13 o   49.576   18.552   28.797   30.960 -51.5485   95.018   38.341   32.747   55.618   26.239   54.261   19.262 1.356606 32.54993 
1 1 1  -12  -26   14 o   55.741   19.353   42.556   32.933 -49.4654   99.674   53.833   34.892   56.099   26.588   61.158   19.915 -5.058701 33.21962 
1 1 1  -12  -26   15 o  108.002   20.424  174.024   53.065   0.0000   0.0000  174.024   53.065  ?   ?   108.002   20.424 0.000000 20.42363 
1 1 1  -12  -26   16 o   58.763   19.995   51.174   35.099   0.0000   0.0000   51.174   35.099  ?   ?    58.763   19.995 0.000000 19.99507 
1 1 1  -12  -26   17 f  162.485   20.828  406.124   82.567   0.0000   0.0000  406.124   82.567  ?   ?   162.485   20.828 0.000000 20.82849 
1 1 1  -12  -26   18 o   45.673   18.245   23.828   31.429   0.0000   0.0000   23.828   31.429  ?   ?    45.673   18.245 0.000000 18.24491 
1 1 1  -12  -25    1 o  200.589   17.682  521.237   87.662  100.089  133.296  842.210  116.368   96.419   37.870  254.960   18.401 -158.5414 42.10414 
1 1 1  -12  -25    2 o   97.476   17.491  125.655   41.012   95.874   77.895  137.077   48.240   86.270   29.774  101.225   19.793 -14.95538 35.75271 
1 1 1  -12  -25    3 o  170.569   15.381  375.008   64.810  269.597  103.068  443.945   83.351  138.048   30.693  184.541   18.329 -46.49295 35.74942 
1 1 1  -12  -25    4 f   99.065   17.207  129.764   41.022  203.776   81.778  104.878   47.420  120.686   27.719   87.754   21.749 32.93134 35.23294 
1 1 1  -12  -25    5 f   76.079   29.197   61.452   77.832   61.452   77.832   0.0000   0.0000   76.079   29.197  ?   ?  0.000000 29.19687 
1 1 1  -12  -25    6 o  120.506   16.490  190.314   48.320  128.190   90.038  215.442   57.264   96.164   32.025  127.606   18.511 -31.44159 36.98978 
1 1 1  -12  -25    7 o  179.628   16.568  420.105   73.481  220.566  119.295  542.095   93.276  121.062   36.461  203.198   18.588 -82.13569 40.92578 
1 1 1  -12  -25    8 o   19.180   9.6276 -58.8931   20.180 -99.8282   78.776 -56.0181   20.877   47.552   22.836   20.119   10.054 27.43291 24.95139 
1 1 1  -12  -25    9 o  211.835   20.488  600.137  107.024   0.0000   0.0000  600.137  107.024  ?   ?   211.835   20.488 0.000000 20.48769 
1 1 1  -12  -25   10 o   56.943   19.783   40.056   34.415  -4.2361   89.393   47.762   37.289   63.990   28.318   61.024   20.610 2.966057 35.02420 
1 1 1  -12  -25   11 o   46.890   18.238   20.241   30.678  -5.6138   90.179   23.625   32.623   63.397   28.229   49.091   18.887 14.30645 33.96463 
1 1 1  -12  -25   12 o  126.179   17.666  215.494   54.139   65.783  105.682  268.764   63.039   78.763   32.691  140.699   18.381 -61.93554 37.50467 
1 1 1  -12  -25   13 o   93.507   33.742  141.422  100.895  141.422  100.895   0.0000   0.0000   93.507   33.742  ?   ?  0.000000 33.74190 
1 1 1  -12  -25   14 o  152.808   18.339  323.009   68.582   39.684  123.521  449.276   82.460   74.408   33.090  180.223   18.589 -105.8141 37.95451 
1 1 1  -12  -25   15 o   37.140   16.143   0.0299   27.894 -77.9148   95.646   7.2754   29.161   52.675   25.261   40.279   16.976 12.39646 30.43544 
1 1 1  -12  -25   16 o   68.669   20.173   70.262   36.874   10.999  105.338   78.538   39.365   64.092   29.324   72.242   20.735 -8.150536 35.91397 
1 1 1  -12  -25   17 f  103.883   20.586  162.704   51.517   0.0000   0.0000  162.704   51.517  ?   ?   103.883   20.586 0.000000 20.58636 
1 1 1  -12  -25   18 o   34.715   15.468  -4.0437   27.124   0.0000   0.0000  -4.0437   27.124  ?   ?    34.715   15.468 0.000000 15.46780 
1 1 1  -12  -25   19 o   93.336   21.153  138.057   48.162   0.0000   0.0000  138.057   48.162  ?   ?    93.336   21.153 0.000000 21.15257 
1 1 1  -12  -24    1 o  232.994   15.382  695.016   88.992  694.229  135.773  695.608  117.834  228.831   24.124  230.835   20.660 -2.004303 31.76142 
1 1 1  -12  -24    2 o  125.238   18.988  206.410   57.522   0.0000   0.0000  206.410   57.522  ?   ?   125.238   18.988 0.000000 18.98822 
1 1 1  -12  -24    3 o  124.175   15.771  199.996   47.802  143.397   82.233  228.883   58.747  101.629   30.196  132.172   18.289 -30.54269 35.30314 
1 1 1  -12  -24    4 o   89.909   17.923  107.514   38.828   90.744   74.957  113.664   45.393   84.359   29.202   91.884   20.322 -7.524681 35.57742 
1 1 1  -12  -24    5 o  244.810   16.758  773.181  101.828  571.887  152.020  937.000  137.141  202.574   31.041  267.416   20.698 -64.84250 37.30865 
1 1 1  -12  -24    6 o   61.100   26.204   5.5506   71.598   5.5506   71.598   0.0000   0.0000   61.100   26.204  ?   ?  0.000000 26.20440 
1 1 1  -12  -24    7 o  142.967   16.864  266.641   59.048   48.206   99.377  385.844   73.412   78.365   32.026  172.125   17.314 -93.75970 36.40706 
1 1 1  -12  -24    8 f   44.885   17.901   14.473   30.208 -24.3233   80.709   20.793   32.576   58.799   26.405   48.552   18.819 10.24677 32.42483 
1 1 1  -12  -24    9 f   40.258   16.987   3.5234   29.254   20.281   84.799   1.2596   31.168   68.144   28.847   40.687   17.365 27.45719 33.67014 
1 1 1  -12  -24   10 o  281.591   18.984  1043.49  132.713  766.703  202.201  1252.96  175.904  225.743   37.162  304.831   23.284 -79.08788 43.85432 
1 1 1  -12  -24   11 o  108.990   18.003  159.141   47.287   96.862   99.554  177.285   53.735   87.331   33.138  114.542   19.484 -27.21134 38.44132 
1 1 1  -12  -24   12 o   80.273   20.407   89.399   40.996 -30.7637   94.506  117.250   45.499   61.423   27.976   92.088   20.329 -30.66539 34.58234 
1 1 1  -12  -24   13 o  129.820   17.231  225.951   54.479  142.218  108.388  254.256   63.018   96.550   34.952  136.891   18.942 -40.34099 39.75492 
1 1 1  -12  -24   14 o   78.445   31.653   74.295   95.645   74.295   95.645   0.0000   0.0000   78.445   31.653  ?   ?  0.000000 31.65340 
1 1 1  -12  -24   15 f   65.691   20.181   60.761   36.299 -34.6568   96.771   76.385   39.159   59.337   27.490   72.992   20.590 -13.65520 34.34636 
1 1 1  -12  -24   16 o   79.987   19.992   92.790   39.823   52.080  104.984   99.632   43.040   72.685   31.455   82.476   20.878 -9.791580 37.75316 
1 1 1  -12  -24   17 o  156.603   17.660  342.933   67.855  195.744  129.538  398.594   79.659   97.519   37.604  167.098   19.454 -69.57887 42.33814 
1 1 1  -12  -24   18 o   64.021   20.586   61.055   37.357   0.0000   0.0000   61.055   37.357  ?   ?    64.021   20.586 0.000000 20.58589 
1 1 1  -12  -24   19 o   52.966   19.432   38.064   33.664   0.0000   0.0000   38.064   33.664  ?   ?    52.966   19.432 0.000000 19.43220 
1 1 1  -12  -24   20 f   97.812   21.259  149.882   50.444   0.0000   0.0000  149.882   50.444  ?   ?    97.812   21.259 0.000000 21.25922 
1 1 1  -12  -23    1 o  359.823   19.281  1670.88  172.621  1550.86  249.084  1781.79  239.447  339.184   29.707  366.548   26.335 -27.36435 39.69926 
1 1 1  -12  -23    2 o  167.599   15.099  360.284   62.516  259.995   98.143  428.762   81.097  137.004   29.554  181.955   18.088 -44.95081 34.65020 
1 1 1  -12  -23    3 o  153.607   18.877  307.951   70.884   0.0000   0.0000  307.951   70.884  ?   ?   153.607   18.877 0.000000 18.87668 
1 1 1  -12  -23    4 o  185.470   15.288  441.404   70.177  334.345  108.514  518.371   92.008  155.803   28.957  199.831   18.654 -44.02840 34.44469 
1 1 1  -12  -23    5 o   89.889   18.099  107.432   39.220   45.881   73.483  131.951   46.379   71.480   28.104   99.503   19.362 -28.02257 34.12837 
1 1 1  -12  -23    6 o  123.480   15.911  198.031   47.922  138.898   83.508  227.065   58.516  100.124   30.585  131.587   18.303 -31.46289 35.64322 
1 1 1  -12  -23    7 o   81.072   29.018   80.421   74.467   80.421   74.467   0.0000   0.0000   81.072   29.018  ?   ?  0.000000 29.01800 
1 1 1  -12  -23    8 o  122.453   19.648  199.153   58.051   0.0000   0.0000  199.153   58.051  ?   ?   122.453   19.648 0.000000 19.64843 
1 1 1  -12  -23    9 o  103.270   31.448  150.998   88.387  150.998   88.387   0.0000   0.0000  103.270   31.448  ?   ?  0.000000 31.44771 
1 1 1  -12  -23   10 o  222.978   17.171  645.994   94.877  418.491  147.399  806.928  123.973  168.117   36.182  247.538   20.232 -79.42151 41.45471 
1 1 1  -12  -23   11 o   72.424   20.169   71.053   37.827   78.988   88.158   69.263   41.878   82.215   31.187   71.762   21.601 10.45331 37.93662 
1 1 1  -12  -23   12 o   35.723   15.996 -11.2232   29.400   0.0000   0.0000 -11.2232   29.400  ?   ?    35.723   15.996 0.000000 15.99642 
1 1 1  -12  -23   13 o  199.314   16.517  520.565   81.470  429.861  135.741  571.636  101.856  169.484   33.260  206.731   19.979 -37.24657 38.79955 
1 1 1  -12  -23   14 f  110.302   17.924  164.137   47.675  140.552  101.462  170.820   54.009   96.888   33.950  111.550   20.129 -14.66209 39.46888 
1 1 1  -12  -23   15 o   93.930   19.782  122.863   44.935  100.871  101.959  128.165   50.059   85.866   33.291   95.157   21.565 -9.291458 39.66522 
1 1 1  -12  -23   16 o  128.899   16.912  224.827   53.122  275.213  112.356  210.320   60.286  128.549   34.347  122.537   20.420 6.012032 39.95827 
1 1 1  -12  -23   17 o   63.096   19.743   55.925   34.560  196.791  103.136   38.108   36.681  106.128   34.213   55.407   20.291 50.72141 39.77759 
1 1 1  -12  -23   18 o   56.434   19.494   43.135   33.396   24.676  102.975   45.305   35.305   67.204   30.026   57.695   20.037 9.508942 36.09810 
1 1 1  -12  -23   19 o   92.361   20.875  127.624   47.014   0.0000   0.0000  127.624   47.014  ?   ?    92.361   20.875 0.000000 20.87484 
1 1 1  -12  -23   20 o   90.616   21.616  126.727   48.228   0.0000   0.0000  126.727   48.228  ?   ?    90.616   21.616 0.000000 21.61560 
1 1 1  -12  -23   21 o   57.315   20.270   47.992   36.231   0.0000   0.0000   47.992   36.231  ?   ?    57.315   20.270 0.000000 20.26982 
1 1 1  -12  -22    1 o  139.072   14.659  248.032   50.141  242.780   80.876  251.311   63.905  134.372   25.023  138.812   18.929 -4.439880 31.37650 
1 1 1  -12  -22    2 o  102.770   16.810  138.072   41.650   85.274   72.246  164.355   50.972   82.903   28.671  111.739   18.944 -28.83644 34.36402 
1 1 1  -12  -22    3 o   75.451   18.767   75.928   35.214   73.346   64.631   77.018   41.994   77.628   27.102   76.014   21.280 1.614151 34.45832 
1 1 1  -12  -22    4 o  225.745   20.558  663.811  114.623   0.0000   0.0000  663.811  114.623  ?   ?   225.745   20.558 0.000000 20.55841 
1 1 1  -12  -22    5 o  346.264   19.420  1550.63  167.246  1274.15  241.329  1806.12  231.989  304.728   32.201  369.434   25.299 -64.70593 40.95090 
1 1 1  -12  -22    6 o  141.785   15.384  259.137   53.597  188.100   87.955  301.095   67.597  115.966   30.107  152.071   18.160 -36.10518 35.15978 
1 1 1  -12  -22    7 o   59.781   20.461   43.181   36.758   0.0000   0.0000   43.181   36.758  ?   ?    59.781   20.461 0.000000 20.46148 
1 1 1  -12  -22    8 o   84.016   29.295   89.126   75.499   89.126   75.499   0.0000   0.0000   84.016   29.295  ?   ?  0.000000 29.29460 
1 1 1  -12  -22    9 o  170.502   16.154  375.613   67.958  200.244  108.486  488.870   87.183  117.914   34.590  193.870   18.222 -75.95522 39.09660 
1 1 1  -12  -22   10 o  336.210   18.957  1469.48  158.511  1366.99  232.729  1558.17  216.489  315.166   29.930  340.775   25.628 -25.60910 39.40262 
1 1 1  -12  -22   11 o  180.599   15.920  421.803   71.065  334.922  116.628  473.109   89.625  153.289   31.520  189.928   19.158 -36.63940 36.88611 
1 1 1  -12  -22   12 o  118.602   17.172  185.198   49.378  172.145   96.989  189.766   57.369  109.048   32.883  119.043   20.008 -9.995720 38.49225 
1 1 1  -12  -22   13 o  120.768   19.968  195.900   58.116   0.0000   0.0000  195.900   58.116  ?   ?   120.768   19.968 0.000000 19.96835 
1 1 1  -12  -22   14 o   41.264   17.427   4.0157   30.836 -12.8680   86.957   6.4442   32.979   62.284   27.727   43.304   18.141 18.98027 33.13488 
1 1 1  -12  -22   15 f  175.794   16.375  406.250   71.058  354.604  125.014  430.900   86.366  152.503   33.722  179.193   19.621 -26.68967 39.01524 
1 1 1  -12  -22   16 o   74.658   20.388   77.768   39.082  120.451   99.362   69.956   42.508   91.039   33.387   71.058   21.840 19.98179 39.89598 
1 1 1  -12  -22   17 o  128.121   35.366  273.131  116.859  273.131  116.859   0.0000   0.0000  128.121   35.366  ?   ?  0.000000 35.36573 
1 1 1  -12  -22   18 o  119.207   18.523  196.724   53.349   46.789  111.881  240.848   60.694   74.589   32.375  131.788   18.991 -57.19874 37.53397 
1 1 1  -12  -22   19 o   55.494   19.430   40.656   33.229  165.462  105.187   26.820   35.022   96.199   34.482   50.189   19.497 46.00972 39.61211 
1 1 1  -12  -22   20 o   30.965   14.317 -17.1163   26.049   0.0000   0.0000 -17.1163   26.049  ?   ?    30.965   14.317 0.000000 14.31668 
1 1 1  -12  -22   21 o  117.715   20.379  205.182   57.737   0.0000   0.0000  205.182   57.737  ?   ?   117.715   20.379 0.000000 20.37909 
1 1 1  -12  -22   22 o   30.931   14.397 -18.7071   27.025   0.0000   0.0000 -18.7071   27.025  ?   ?    30.931   14.397 0.000000 14.39733 
1 1 1  -12  -22   23 o   69.226   21.558   76.422   41.262   0.0000   0.0000   76.422   41.262  ?   ?    69.226   21.558 0.000000 21.55766 
1 1 1  -12  -21    1 o  209.536   14.477  558.744   75.284  572.247  112.383  547.751  101.399  209.622   21.787  205.713   19.991 3.909515 29.56922 
1 1 1  -12  -21    2 o  263.315   15.659  884.025  102.504  910.135  150.544  861.458  139.959  264.058   23.062  257.358   21.989 6.699585 31.86456 
1 1 1  -12  -21    3 o  465.521   33.981  2952.08  392.300  2952.08  392.300   0.0000   0.0000  465.521   33.981  ?   ?  0.000000 33.98127 
1 1 1  -12  -21    4 o  250.691   15.864  803.079   98.799  710.254  144.805  883.927  135.141  231.545   25.464  260.905   20.918 -29.36060 32.95452 
1 1 1  -12  -21    5 o  176.818   19.131  406.129   83.127   0.0000   0.0000  406.129   83.127  ?   ?   176.818   19.131 0.000000 19.13149 
1 1 1  -12  -21    6 o   69.275   19.280   63.637   34.575   80.865   69.967   58.070   39.771   80.983   28.203   67.182   21.203 13.80129 35.28388 
1 1 1  -12  -21    7 o   51.084   18.711   27.557   31.195   22.632   64.406   29.066   35.656   62.755   25.730   53.503   19.931 9.251736 32.54675 
1 1 1  -12  -21    8 o  115.023   16.377  172.256   45.711  168.795   79.967  173.936   55.710  110.250   28.749  114.434   20.235 -4.183693 35.15605 
1 1 1  -12  -21    9 o   81.760   19.466   89.686   39.173   98.982   76.688   86.404   45.566   87.350   29.556   80.105   22.072 7.244156 36.88829 
1 1 1  -12  -21   10 o  306.635   17.395  1211.83  132.648  1255.34  196.698  1175.54  179.645  306.381   25.953  297.577   24.389 8.804443 35.61458 
1 1 1  -12  -21   11 o  102.818   17.942  139.862   44.390  111.644   85.229  150.366   52.000   91.794   31.158  105.929   20.398 -14.13489 37.24146 
1 1 1  -12  -21   12 o  160.896   16.652  336.017   65.939  159.033  109.638  436.311   82.534  106.351   35.335  182.864   18.320 -76.51328 39.80210 
1 1 1  -12  -21   13 f  106.504   18.058  150.480   46.311  101.915   91.476  167.217   53.702   89.286   32.140  111.734   19.980 -22.44818 37.84411 
1 1 1  -12  -21   14 o  125.425   20.167  210.656   61.023   0.0000   0.0000  210.656   61.023  ?   ?   125.425   20.167 0.000000 20.16665 
1 1 1  -12  -21   15 o   41.184   17.482   2.7911   31.284   49.433   89.751  -3.6593   33.377   75.286   30.563   40.468   17.624 34.81812 35.28039 
1 1 1  -12  -21   16 o   58.079   20.191   41.520   35.851  -1.1168   93.130   48.938   38.845   65.977   29.065   61.989   21.035 3.988506 35.87856 
1 1 1  -12  -21   17 o  209.665   17.320  582.066   89.870  418.315  148.063  677.584  113.083  161.406   37.457  223.867   20.454 -62.46126 42.67819 
1 1 1  -12  -21   18 o  164.459   33.568  425.405  133.191  425.405  133.191   0.0000   0.0000  164.459   33.568  ?   ?  0.000000 33.56756 
1 1 1  -12  -21   19 f   82.815   20.064   97.453   41.055  142.343  108.048   89.878   44.384   93.824   34.745   78.919   21.800 14.90533 41.01810 
1 1 1  -12  -21   20 o   93.866   19.427  125.396   44.037  133.895  111.793  123.835   47.911   89.623   34.828   92.224   21.242 -2.600960 40.79489 
1 1 1  -12  -21   21 o   62.430   20.926   55.502   38.437   0.0000   0.0000   55.502   38.437  ?   ?    62.430   20.926 0.000000 20.92566 
1 1 1  -12  -21   22 o   80.484   21.535   98.739   44.132   0.0000   0.0000   98.739   44.132  ?   ?    80.484   21.535 0.000000 21.53506 
1 1 1  -12  -21   23 o   60.040   20.719   52.861   37.721   0.0000   0.0000   52.861   37.721  ?   ?    60.040   20.719 0.000000 20.71939 
1 1 1  -12  -21   24 o   81.855   21.770  106.261   45.271   0.0000   0.0000  106.261   45.271  ?   ?    81.855   21.770 0.000000 21.76970 
1 1 1  -12  -20    1 o  259.523   23.087  875.214  148.061  875.214  148.061   0.0000   0.0000  259.523   23.087  ?   ?  0.000000 23.08720 
1 1 1  -12  -20    2 o   69.290   18.637   63.403   32.951   61.112   57.139   64.544   40.333   72.301   25.467   70.450   21.197 1.850746 33.13434 
1 1 1  -12  -20    3 o  131.727   14.666  222.439   47.425  204.727   74.679  234.409   61.393  123.394   25.090  134.183   18.841 -10.78913 31.37700 
1 1 1  -12  -20    4 o  195.518   14.385  486.853   69.742  502.029  105.453  475.055   92.980  196.094   21.909  191.485   19.727 4.608688 29.48195 
1 1 1  -12  -20    5 o  132.882   15.482  227.254   50.410  100.184   79.871  311.386   64.990   88.826   30.163  155.387   17.028 -66.56036 34.63715 
1 1 1  -12  -20    6 o  175.209   19.134  398.364   82.356   0.0000   0.0000  398.364   82.356  ?   ?   175.209   19.134 0.000000 19.13396 
1 1 1  -12  -20    7 o  175.753   15.113  395.466   65.682  305.509  100.800  461.845   86.589  149.765   27.981  188.888   18.598 -39.12280 33.59850 
1 1 1  -12  -20    8 o  253.599   15.845  822.708   99.841  825.833  149.662  820.201  134.022  250.139   24.265  250.662   21.623 -0.5225525 32.50101 
1 1 1  -12  -20    9 o  248.575   16.139  791.798   99.639  719.351  148.723  850.800  134.214  232.142   26.108  255.368   21.239 -23.22612 33.65606 
1 1 1  -12  -20   10 o   92.212   18.349  112.901   40.767   94.411   75.554  120.495   48.420   85.918   29.336   94.663   21.029 -8.745300 36.09460 
1 1 1  -12  -20   11 o   85.459   29.764   92.165   77.928   92.165   77.928   0.0000   0.0000   85.459   29.764  ?   ?  0.000000 29.76400 
1 1 1  -12  -20   12 o  141.820   16.663  261.095   57.888  132.689   98.317  329.231   71.618   99.180   33.466  158.845   18.395 -59.66581 38.18863 
1 1 1  -12  -20   13 o  173.305   15.357  386.811   65.771  439.500  112.295  359.299   81.146  180.213   25.679  165.207   20.082 15.00612 32.59945 
1 1 1  -12  -20   14 o  223.671   15.683  644.203   87.044  714.613  140.749  600.596  110.766  230.577   24.836  213.357   21.065 17.22054 32.56618 
1 1 1  -12  -20   15 o  274.510   23.089  1005.43  156.806   0.0000   0.0000  1005.43  156.806  ?   ?   274.510   23.089 0.000000 23.08905 
1 1 1  -12  -20   16 o  150.807   16.387  296.930   60.721  289.586  113.978  299.840   71.751  140.306   33.071  150.189   19.598 -9.882309 38.44210 
1 1 1  -12  -20   17 o  149.073   16.888  292.293   61.758  242.626  116.899  311.522   72.738  125.726   35.614  152.704   19.521 -26.97787 40.61305 
1 1 1  -12  -20   18 o  123.127   17.750  202.824   52.999  213.282  110.706  199.715   60.366  116.727   35.117  120.748   20.769 -4.020943 40.79871 
1 1 1  -12  -20   19 o   79.539   32.507   68.605  102.381   68.605  102.381   0.0000   0.0000   79.539   32.507  ?   ?  0.000000 32.50663 
1 1 1  -12  -20   20 o   62.333   20.316   52.789   36.307  136.843  104.908   41.352   38.698   93.243   34.289   57.792   20.890 35.45010 40.15171 
1 1 1  -12  -20   21 o   63.434   20.507   56.146   37.035   5.6098  109.615   62.658   39.349   67.633   30.535   66.507   21.100 1.126411 37.11599 
1 1 1  -12  -20   22 o   66.597   20.558   64.241   37.618  112.499  115.956   58.564   39.769   83.844   34.468   64.069   21.281 19.77552 40.50832 
1 1 1  -12  -20   23 o   49.553   19.301   27.147   34.394   0.0000   0.0000   27.147   34.394  ?   ?    49.553   19.301 0.000000 19.30093 
1 1 1  -12  -20   24 o  147.754   20.645  323.447   74.093   0.0000   0.0000  323.447   74.093  ?   ?   147.754   20.645 0.000000 20.64503 
1 1 1  -12  -20   25 o  149.463   20.816  336.837   75.585   0.0000   0.0000  336.837   75.585  ?   ?   149.463   20.816 0.000000 20.81633 
1 1 1  -12  -19    1 o  258.893   15.561  850.968  100.133  829.872  145.570  869.914  137.955  253.078   23.295  259.862   21.451 -6.784698 31.66717 
1 1 1  -12  -19    2 o  231.155   22.152  691.933  126.305  691.933  126.305   0.0000   0.0000  231.155   22.152  ?   ?  0.000000 22.15217 
1 1 1  -12  -19    3 o  246.437   15.316  772.074   93.790  738.434  136.291  802.336  129.267  238.254   23.202  249.332   20.956 -11.07811 31.26445 
1 1 1  -12  -19    4 o  141.414   14.209  255.399   49.498  289.883   77.554  231.697   64.297  148.764   21.500  133.161   19.950 15.60242 29.33023 
1 1 1  -12  -19    5 o  271.149   22.277  954.612  149.504   0.0000   0.0000  954.612  149.504  ?   ?   271.149   22.277 0.000000 22.27673 
1 1 1  -12  -19    6 o  222.877   22.583  648.441  123.953  648.441  123.953   0.0000   0.0000  222.877   22.583  ?   ?  0.000000 22.58279 
1 1 1  -12  -19    7 o  194.779   19.583  491.571   93.962   0.0000   0.0000  491.571   93.962  ?   ?   194.779   19.583 0.000000 19.58325 
1 1 1  -12  -19    8 o  247.969   15.461  784.705   95.262  812.721  142.580  762.115  128.033  249.089   23.189  241.984   21.409 7.103958 31.56007 
1 1 1  -12  -19    9 o   71.223   18.957   67.438   34.312   79.275   65.224   62.909   40.345   79.741   27.256   69.500   21.263 10.24110 34.56939 
1 1 1  -12  -19   10 o  106.141   16.933  147.294   43.372   98.148   76.479  170.593   52.659   87.427   29.516  113.740   19.225 -26.31284 35.22523 
1 1 1  -12  -19   11 o   62.355   19.930   49.441   35.054  119.769   72.725   28.157   40.009   93.992   28.504   54.896   20.965 39.09665 35.38374 
1 1 1  -12  -19   12 o  385.584   30.319  2017.00  289.583  2017.00  289.583   0.0000   0.0000  385.584   30.319  ?   ?  0.000000 30.31941 
1 1 1  -12  -19   13 o  154.639   15.663  308.267   59.650  307.449  101.337  308.701   73.787  149.515   28.175  153.374   19.722 -3.858154 34.39172 
1 1 1  -12  -19   14 o  179.841   15.961  416.888   70.937  359.324  116.680  450.639   89.345  160.593   30.204  185.618   19.570 -25.02499 35.98963 
1 1 1  -12  -19   15 o  181.508   15.901  425.084   71.345  407.027  119.642  435.048   88.876  171.471   28.973  182.025   19.875 -10.55458 35.13527 
1 1 1  -12  -19   16 o  243.361   21.813  783.974  131.156   0.0000   0.0000  783.974  131.156  ?   ?   243.361   21.813 0.000000 21.81320 
1 1 1  -12  -19   17 o  197.071   16.611  504.583   80.986  426.924  135.957  547.294  100.826  171.863   32.877  203.507   20.103 -31.64473 38.53585 
1 1 1  -12  -19   18 o  147.911   17.099  287.561   61.994  228.803  116.504  310.770   73.221  122.595   35.812  152.652   19.665 -30.05723 40.85641 
1 1 1  -12  -19   19 o   65.684   20.786   57.620   38.203   78.747  101.874   54.162   41.210   83.209   32.972   64.590   21.667 18.61953 39.45375 
1 1 1  -12  -19   20 o  127.771   35.713  262.723  118.370  262.723  118.370   0.0000   0.0000  127.771   35.713  ?   ?  0.000000 35.71283 
1 1 1  -12  -19   21 o   47.753   18.924   19.857   33.563   25.553  102.428   19.172   35.525   70.798   30.852   48.347   19.367 22.45041 36.42723 
1 1 1  -12  -19   22 o   53.020   19.758   32.801   35.048   14.262  109.345   34.924   37.001   69.227   30.935   54.444   20.299 14.78317 37.00023 
1 1 1  -12  -19   23 o   61.246   20.568   52.184   37.133   91.420  116.228   47.724   39.187   80.746   33.954   59.590   21.080 21.15617 39.96523 
1 1 1  -12  -19   24 o   62.165   21.191   55.210   39.426   0.0000   0.0000   55.210   39.426  ?   ?    62.165   21.191 0.000000 21.19139 
1 1 1  -12  -19   25 o   48.708   19.257   25.370   34.676   0.0000   0.0000   25.370   34.676  ?   ?    48.708   19.257 0.000000 19.25668 
1 1 1  -12  -19   26 o   82.676   22.006  107.232   46.235   0.0000   0.0000  107.232   46.235  ?   ?    82.676   22.006 0.000000 22.00603 
1 1 1  -12  -18    1 o  105.382   15.653  143.207   39.941  167.211   63.826  127.757   51.206  112.281   23.517   98.258   21.469 14.02324 31.84313 
1 1 1  -12  -18    2 o  249.264   15.366  787.889   95.181  755.392  138.394  817.057  131.114  241.682   23.217  252.202   21.010 -10.51993 31.31167 
1 1 1  -12  -18    3 o  280.400   23.605  1017.65  163.746  1017.65  163.746   0.0000   0.0000  280.400   23.605  ?   ?  0.000000 23.60482 
1 1 1  -12  -18    4 o  312.748   24.278  1269.45  188.121   0.0000   0.0000  1269.45  188.121  ?   ?   312.748   24.278 0.000000 24.27776 
1 1 1  -12  -18    5 o  159.479   22.339  332.949   86.522  332.949   86.522   0.0000   0.0000  159.479   22.339  ?   ?  0.000000 22.33862 
1 1 1  -12  -18    6 o  174.149   14.174  386.019   61.106  393.673   92.972  380.198   81.078  173.644   21.930  171.455   19.271 2.189713 29.19366 
1 1 1  -12  -18    7 o  234.514   14.875  699.644   86.661  756.627  128.842  652.566  117.110  241.511   21.591  224.333   21.155 17.17841 30.22752 
1 1 1  -12  -18    8 o   70.439   18.783   65.714   33.645   65.481   62.845   65.808   39.835   74.979   26.677   70.896   21.006 4.083176 33.95403 
1 1 1  -12  -18    9 o   85.024   18.339   95.878   37.793  101.523   71.914   93.724   44.422   88.235   28.582   83.673   21.227 4.562759 35.60223 
1 1 1  -12  -18   10 o  177.081   14.834  400.789   64.991  365.428  100.719  426.016   85.072  165.498   25.163  181.281   19.079 -15.78246 31.57851 
1 1 1  -12  -18   11 o  139.988   15.224  251.959   52.360  234.233   86.007  262.397   66.001  131.044   27.174  141.749   19.135 -10.70477 33.23509 
1 1 1  -12  -18   12 o  197.343   14.909  497.806   72.932  535.051  114.499  472.377   94.607  201.451   23.183  190.371   20.210 11.08020 30.75564 
1 1 1  -12  -18   13 o  206.681   24.628  567.542  124.608  567.542  124.608   0.0000   0.0000  206.681   24.628  ?   ?  0.000000 24.62830 
1 1 1  -12  -18   14 o  116.736   17.555  178.362   49.592   63.138   85.768  236.232   60.783   79.243   30.586  134.329   18.621 -55.08630 35.80867 
1 1 1  -12  -18   15 f  113.740   18.075  170.177   49.622   85.078   92.185  204.893   58.880   85.929   32.040  124.536   19.579 -38.60697 37.54853 
1 1 1  -12  -18   16 o  353.754   19.319  1624.84  170.016  1618.49  251.176  1630.21  230.970  344.491   29.482  348.316   26.759 -3.825226 39.81458 
1 1 1  -12  -18   17 o  158.666   20.237  332.615   78.356   0.0000   0.0000  332.615   78.356  ?   ?   158.666   20.237 0.000000 20.23678 
1 1 1  -12  -18   18 o  262.882   17.695  898.274  115.484  774.864  179.435  985.539  150.887  234.485   31.435  272.256   22.392 -37.77127 38.59494 
1 1 1  -12  -18   19 o   94.218   20.268  120.838   46.272   96.770  103.257  126.886   51.760   88.822   33.738   96.014   22.052 -7.192055 40.30549 
1 1 1  -12  -18   20 o   69.896   21.121   66.265   39.982  193.561  104.670   44.518   43.263  112.845   34.190   61.238   22.095 51.60640 40.70860 
1 1 1  -12  -18   21 o   83.369   33.421   80.602  105.870   80.602  105.870   0.0000   0.0000   83.369   33.421  ?   ?  0.000000 33.42111 
1 1 1  -12  -18   22 o   58.413   20.478   43.225   36.917   58.445  106.511   41.147   39.357   77.730   32.585   58.127   21.059 19.60313 38.79768 
1 1 1  -12  -18   23 o  120.006   19.028  199.591   55.120   83.104  122.942  228.897   61.665   82.735   34.862  128.081   19.928 -45.34621 40.15606 
1 1 1  -12  -18   24 o   66.626   21.143   63.565   39.507 -76.3219  114.967   82.296   42.069   58.926   28.105   74.967   21.410 -16.04087 35.33077 
1 1 1  -12  -18   25 o  105.326   21.473  163.930   54.564   0.0000   0.0000  163.930   54.564  ?   ?   105.326   21.473 0.000000 21.47336 
1 1 1  -12  -18   26 o   56.823   20.782   43.534   38.459   0.0000   0.0000   43.534   38.459  ?   ?    56.823   20.782 0.000000 20.78161 
1 1 1  -12  -18   27 o   97.173   21.949  145.709   52.003   0.0000   0.0000  145.709   52.003  ?   ?    97.173   21.949 0.000000 21.94876 
1 1 1  -12  -17    1 o  333.191   17.625  1407.11  146.123  1379.76  209.055  1433.24  204.325  327.164   25.798  333.918   24.679 -6.753540 35.70091 
1 1 1  -12  -17    2 o  273.018   15.853  943.797  107.619  902.714  154.622  982.399  149.881  264.749   23.636  276.864   21.856 -12.11545 32.19259 
1 1 1  -12  -17    3 o  146.071   14.249  271.391   51.314  233.252   76.892  302.016   68.902  133.020   24.032  153.293   18.365 -20.27226 30.24627 
1 1 1  -12  -17    4 o  141.105   14.754  253.943   51.218  244.318   75.639  262.093   69.604  136.363   23.033  142.121   20.179 -5.758392 30.62176 
1 1 1  -12  -17    5 o  267.022   23.127  922.042  152.686  922.042  152.686   0.0000   0.0000  267.022   23.127  ?   ?  0.000000 23.12652 
1 1 1  -12  -17    6 o  211.320   14.292  566.620   74.975  619.284  111.803  523.584  101.069  219.123   20.677  201.429   20.373 17.69402 29.02743 
1 1 1  -12  -17    7 o  168.268   14.032  360.189   58.423  385.333   89.636  341.618   77.033  172.092   21.314  162.480   19.367 9.611557 28.79897 
1 1 1  -12  -17    8 o  171.467   14.319  374.456   60.752  361.895   92.816  383.871   80.356  166.012   23.007  172.370   18.983 -6.357437 29.82786 
1 1 1  -12  -17    9 o  245.885   15.200  769.529   92.870  812.677  137.519  733.352  125.923  250.056   22.256  237.789   21.437 12.26689 30.90045 
1 1 1  -12  -17   10 o  259.006   21.895  871.643  140.285   0.0000   0.0000  871.643  140.285  ?   ?   259.006   21.895 0.000000 21.89475 
1 1 1  -12  -17   11 o  172.747   14.796  381.269   63.212  351.121   97.968  402.772   82.739  162.373   24.960  176.292   19.100 -13.91895 31.42959 
1 1 1  -12  -17   12 o  414.092   20.882  2217.88  215.239  2223.98  309.509  2212.17  299.524  406.627   30.707  406.460   29.716 0.1677246 42.73111 
1 1 1  -12  -17   13 o  189.894   15.053  461.064   70.795  445.421  109.755  472.210   92.644  183.110   24.627  190.609   19.750 -7.499268 31.56849 
1 1 1  -12  -17   14 o  136.169   27.462  253.352   90.160  253.352   90.160   0.0000   0.0000  136.169   27.462  ?   ?  0.000000 27.46232 
1 1 1  -12  -17   15 o   60.928   20.138   46.154   35.628   39.135   72.916   48.355   40.834   69.806   27.820   63.138   21.566 6.667641 35.20068 
1 1 1  -12  -17   16 o  159.000   15.849  325.802   62.091  304.820  104.243  337.340   77.300  148.529   29.146  160.499   19.700 -11.96988 35.17921 
1 1 1  -12  -17   17 o  109.047   18.574  157.214   48.767  109.303   92.018  175.926   57.507   92.171   32.329  114.760   20.834 -22.58840 38.46115 
1 1 1  -12  -17   18 o  101.077   19.251  136.363   46.816  224.031   99.073  111.160   53.121  125.332   31.648   90.181   23.390 35.15046 39.35372 
1 1 1  -12  -17   19 o  177.300   17.330  409.277   75.747  205.807  127.812  519.430   94.042  118.104   38.088  199.065   19.154 -80.96055 42.63335 
1 1 1  -12  -17   20 o   79.040   21.102   85.321   42.433  141.823  100.991   73.207   46.761  100.162   33.918   73.865   22.941 26.29647 40.94718 
1 1 1  -12  -17   21 o  121.776   18.604  198.365   54.779  133.692  111.371  219.005   62.916   97.567   35.413  127.221   20.501 -29.65405 40.91883 
1 1 1  -12  -17   22 f  109.345   35.941  187.449  113.540  187.449  113.540   0.0000   0.0000  109.345   35.941  ?   ?  0.000000 35.94070 
1 1 1  -12  -17   23 o  132.830   17.652  237.652   57.102  287.172  121.821  223.708   64.643  132.368   35.932  126.887   21.145 5.481796 41.69258 
1 1 1  -12  -17   24 o  200.748   17.698  544.736   87.815  429.444  154.367  599.898  106.776  155.404   39.649  207.735   20.865 -52.33066 44.80392 
1 1 1  -12  -17   25 o  106.552   19.723  160.987   50.547  163.665  123.623  160.449   55.388   95.936   36.801  105.004   21.835 -9.068413 42.79152 
1 1 1  -12  -17   26 o   80.063   22.192   96.341   45.907   0.0000   0.0000   96.341   45.907  ?   ?    80.063   22.192 0.000000 22.19162 
1 1 1  -12  -17   27 o   48.352   19.419   22.669   35.815   0.0000   0.0000   22.669   35.815  ?   ?    48.352   19.419 0.000000 19.41925 
1 1 1  -12  -17   28 o  154.024   21.272  354.336   79.635   0.0000   0.0000  354.336   79.635  ?   ?   154.024   21.272 0.000000 21.27227 
1 1 1  -12  -16    1 o  207.245   19.957  548.273  102.005   0.0000   0.0000  548.273  102.005  ?   ?   207.245   19.957 0.000000 19.95671 
1 1 1  -12  -16    2 o  356.020   18.336  1605.94  162.461  1569.60  231.344  1641.30  228.197  349.120   26.739  357.441   25.738 -8.321594 37.11351 
1 1 1  -12  -16    3 o  317.691   24.220  1296.06  190.695   0.0000   0.0000  1296.06  190.695  ?   ?   317.691   24.220 0.000000 24.21968 
1 1 1  -12  -16    4 o  429.308   30.522  2403.00  325.086  2403.00  325.086   0.0000   0.0000  429.308   30.522  ?   ?  0.000000 30.52231 
1 1 1  -12  -16    5 o  120.160   14.859  184.797   43.635  145.737   66.313  214.624   57.948  104.445   25.619  128.831   18.547 -24.38605 31.62780 
1 1 1  -12  -16    6 f  419.405   30.216  2307.18  314.342  2307.18  314.342   0.0000   0.0000  419.405   30.216  ?   ?  0.000000 30.21604 
1 1 1  -12  -16    7 o  207.255   14.280  544.759   73.457  569.994  108.350  523.295   99.929  210.209   20.919  201.578   20.120 8.630600 29.02455 
1 1 1  -12  -16    8 o  242.915   14.807  748.860   89.392  842.772  131.813  668.885  121.639  255.802   20.815  227.404   21.683 28.39748 30.05713 
1 1 1  -12  -16    9 o  130.453   14.838  218.049   47.477  180.756   74.241  243.853   61.756  115.712   26.291  137.141   18.505 -21.42914 32.15035 
1 1 1  -12  -16   10 f   98.783   16.410  127.109   39.059  157.722   66.995  111.346   48.075  108.110   25.269   91.310   21.449 16.79996 33.14507 
1 1 1  -12  -16   11 o  235.382   20.968  717.719  121.960   0.0000   0.0000  717.719  121.960  ?   ?   235.382   20.968 0.000000 20.96834 
1 1 1  -12  -16   12 o  277.402   16.090  981.723  110.981  1055.59  163.604  918.755  151.050  284.475   23.233  265.387   23.020 19.08844 32.70648 
1 1 1  -12  -16   13 o  125.297   15.866  202.678   48.532  196.099   81.132  206.344   60.562  119.749   27.685  125.274   20.034 -5.525215 34.17338 
1 1 1  -12  -16   14 o  360.752   18.734  1673.07  168.187  1766.63  244.514  1589.06  231.707  365.176   27.005  346.250   27.011 18.92596 38.19534 
1 1 1  -12  -16   15 f  180.408   24.794  432.974  108.745  432.974  108.745   0.0000   0.0000  180.408   24.794  ?   ?  0.000000 24.79358 
1 1 1  -12  -16   16 o  390.633   20.336  1975.77  197.692  1947.84  286.378  2001.20  273.242  379.599   30.468  386.612   28.503 -7.012543 41.72194 
1 1 1  -12  -16   17 o  102.523   18.451  138.911   45.501  178.610   86.319  123.636   53.543  113.162   30.044   95.549   22.765 17.61296 37.69396 
1 1 1  -12  -16   18 o  108.522   18.487  155.513   48.304  154.482   93.745  155.886   56.362  105.357   32.442  107.668   21.712 -2.310913 39.03741 
1 1 1  -12  -16   19 o  182.729   16.187  430.835   73.097  406.289  123.232  444.159   90.794  171.039   29.943  183.991   20.087 -12.95198 36.05675 
1 1 1  -12  -16   20 o   53.760   20.692   26.759   39.168 -36.9655  106.200   36.792   42.139   66.155   29.944   58.592   21.698 7.562778 36.97922 
1 1 1  -12  -16   21 o   50.351   19.866   20.535   36.838   26.964   95.777   19.419   39.908   72.818   30.732   51.331   20.540 21.48725 36.96395 
1 1 1  -12  -16   22 o   86.707   21.115  103.557   45.293  138.248  103.776   95.393   50.340   98.477   34.345   82.905   23.331 15.57146 41.51974 
1 1 1  -12  -16   23 o  121.658   19.368  200.386   56.868  113.095  112.268  230.513   65.956   91.728   35.098  129.783   21.074 -38.05521 40.93881 
1 1 1  -12  -16   24 o   78.922   21.714   87.972   44.138   43.441  109.932   96.530   48.193   76.280   32.586   82.336   22.705 -6.055984 39.71567 
1 1 1  -12  -16   25 o  184.947   17.391  460.834   79.375  424.767  148.251  475.328   93.981  157.025   38.178  185.141   20.681 -28.11594 43.41940 
1 1 1  -12  -16   26 o   47.147   19.122   17.716   35.096   16.352  115.438   17.855   36.840   70.150   31.534   47.933   19.534 22.21686 37.09403 
1 1 1  -12  -16   27 o   57.787   21.145   43.437   39.822   0.0000   0.0000   43.437   39.822  ?   ?    57.787   21.145 0.000000 21.14488 
1 1 1  -12  -16   28 o   51.501   20.298   28.852   38.417   0.0000   0.0000   28.852   38.417  ?   ?    51.501   20.298 0.000000 20.29798 
1 1 1  -12  -15    1 o   73.860   22.079   69.865   43.865   0.0000   0.0000   69.865   43.865  ?   ?    73.860   22.079 0.000000 22.07898 
1 1 1  -12  -15    2 o  350.881   25.740  1576.40  223.965   0.0000   0.0000  1576.40  223.965  ?   ?   350.881   25.740 0.000000 25.74014 
1 1 1  -12  -15    3 o  564.478   38.058  4185.46  533.342  4185.46  533.342   0.0000   0.0000  564.478   38.058  ?   ?  0.000000 38.05841 
1 1 1  -12  -15    4 o  381.174   19.030  1837.78  181.138  1846.49  258.094  1829.32  254.284  378.526   27.492  376.878   27.202 1.648010 38.67478 
1 1 1  -12  -15    5 f  327.263   17.276  1356.61  140.687  1392.80  201.542  1322.21  196.478  329.199   24.696  320.694   24.725 8.505249 34.94625 
1 1 1  -12  -15    6 o  117.319   14.914  176.204   42.706  168.352   65.465  182.022   56.347  112.691   23.999  118.228   19.784 -5.536880 31.10247 
1 1 1  -12  -15    7 o  262.197   22.825  885.608  147.955  885.608  147.955   0.0000   0.0000  262.197   22.825  ?   ?  0.000000 22.82467 
1 1 1  -12  -15    8 o  256.657   15.410  835.423   98.308  840.582  142.313  830.715  135.962  255.221   22.562  254.037   21.639 1.184662 31.26117 
1 1 1  -12  -15    9 o  390.416   19.668  1948.79  191.134  1956.00  273.148  1941.87  267.546  386.222   28.523  385.144   28.010 1.077484 39.97629 
1 1 1  -12  -15   10 o  191.997   14.201  468.261   67.602  510.567  101.621  434.677   90.543  198.669   20.791  183.366   20.103 15.30264 28.92092 
1 1 1  -12  -15   11 o  233.581   15.114  693.815   87.688  698.885  129.863  689.566  118.883  231.834   22.724  230.997   20.833 0.8372650 30.82853 
1 1 1  -12  -15   12 o  105.792   20.621  148.252   52.520   0.0000   0.0000  148.252   52.520  ?   ?   105.792   20.621 0.000000 20.62143 
1 1 1  -12  -15   13 f  157.726   14.623  317.792   56.939  359.349   90.728  290.789   73.135  165.397   22.555  149.296   20.130 16.10095 30.23125 
1 1 1  -12  -15   14 o  334.860   17.891  1436.25  149.063  1505.87  217.267  1374.33  204.891  338.314   25.914  323.333   25.585 14.98022 36.41611 
1 1 1  -12  -15   15 o  260.336   15.887  865.258  102.789  925.124  153.484  816.573  138.412  265.923   23.349  250.187   22.391 15.73569 32.35057 
1 1 1  -12  -15   16 o  140.676   27.587  269.299   93.448  269.299   93.448   0.0000   0.0000  140.676   27.587  ?   ?  0.000000 27.58672 
1 1 1  -12  -15   17 o  217.755   15.511  606.433   83.794  656.681  131.464  572.052  108.746  223.102   23.973  209.369   21.086 13.73293 31.92701 
1 1 1  -12  -15   18 o  254.790   16.090  831.459  101.851  914.352  156.525  770.586  134.132  263.267   24.075  242.405   22.412 20.86148 32.89262 
1 1 1  -12  -15   19 o   80.733   21.041   87.700   42.850   38.405   87.055  103.461   49.226   73.794   30.046   87.436   22.434 -13.64205 37.49731 
1 1 1  -12  -15   20 o  101.141   19.640  136.549   47.816  116.822   96.748  142.925   55.003   94.754   33.155  102.809   22.083 -8.054581 39.83595 
1 1 1  -12  -15   21 o   57.045   21.902   30.796   43.808   0.0000   0.0000   30.796   43.808  ?   ?    57.045   21.902 0.000000 21.90161 
1 1 1  -12  -15   22 o  236.731   16.779  726.662   98.548  753.113  160.211  710.562  124.992  233.616   28.022  231.110   21.920 2.505692 35.57661 
1 1 1  -12  -15   23 o  219.435   17.280  629.772   93.925  547.304  156.184  676.493  117.559  193.005   33.628  224.984   21.173 -31.97885 39.73826 
1 1 1  -12  -15   24 o   63.201   21.861   50.603   42.004   31.131  105.050   54.308   45.827   74.451   31.830   65.437   22.823 9.014084 39.16707 
1 1 1  -12  -15   25 o   72.328   22.356   72.761   44.469  145.999  111.300   58.849   48.509   97.665   35.409   67.131   23.477 30.53400 42.48488 
1 1 1  -12  -15   26 o   59.654   21.161   45.422   39.517 -43.0003  116.044   57.021   42.029   64.432   29.939   64.876   21.881 -0.4445038 37.08237 
1 1 1  -12  -15   27 o   93.980   21.084  127.472   48.262  113.593  125.540  129.879   52.280   87.054   35.835   94.035   22.554 -6.980530 42.34167 
1 1 1  -12  -15   28 o   60.582   21.837   49.267   42.240   0.0000   0.0000   49.267   42.240  ?   ?    60.582   21.837 0.000000 21.83660 
1 1 1  -12  -15   29 o   44.662   18.883   10.463   36.262   0.0000   0.0000   10.463   36.262  ?   ?    44.662   18.883 0.000000 18.88267 
1 1 1  -12  -15   30 o   52.010   20.404   31.035   38.654   0.0000   0.0000   31.035   38.654  ?   ?    52.010   20.404 0.000000 20.40442 
1 1 1  -12  -14    1 o  367.904   18.635  1708.71  170.649  1706.41  242.977  1710.96  239.724  365.536   26.805  366.149   26.395 -0.6134644 37.61964 
1 1 1  -12  -14    2 o  564.819   37.540  4146.68  526.469   0.0000   0.0000  4146.68  526.469  ?   ?   564.819   37.540 0.000000 37.53982 
1 1 1  -12  -14    3 o  287.364   16.129  1041.85  115.274  1051.56  164.973  1032.58  161.140  287.133   23.206  284.601   22.866 2.532135 32.57929 
1 1 1  -12  -14    4 o  420.959   20.386  2240.79  214.301  2255.75  304.534  2226.12  301.620  418.618   29.317  415.886   29.228 2.731842 41.39774 
1 1 1  -12  -14    5 o  104.790   15.198  140.972   38.609  135.853   60.161  144.557   50.344  101.346   24.120  105.234   19.886 -3.888954 31.26104 
1 1 1  -12  -14    6 o  166.322   13.901  350.224   57.205  327.521   84.146  369.735   78.004  159.193   21.735  170.012   18.681 -10.81912 28.65984 
1 1 1  -12  -14    7 o  306.269   16.682  1187.79  127.107  1206.67  182.059  1169.84  177.538  306.449   23.982  301.791   23.750 4.658508 33.75164 
1 1 1  -12  -14    8 o  188.882   21.242  459.771   98.455  459.771   98.455   0.0000   0.0000  188.882   21.242  ?   ?  0.000000 21.24200 
1 1 1  -12  -14    9 o   44.934   17.466   16.129   28.119   25.032   48.577   11.642   34.484   57.840   22.816   46.678   18.946 11.16271 29.65666 
1 1 1  -12  -14   10 o  204.007   14.335  527.851   72.563  557.073  107.546  503.431   98.313  207.802   21.014  197.693   20.198 10.10918 29.14692 
1 1 1  -12  -14   11 o  109.503   15.795  154.848   41.942  201.900   66.965  124.478   53.801  123.597   22.527   96.563   22.695 27.03331 31.97684 
1 1 1  -12  -14   12 o  114.525   15.634  169.136   43.544  172.797   70.134  166.839   55.547  113.332   25.409  112.522   20.525 0.8105087 32.66323 
1 1 1  -12  -14   13 o  243.344   21.319  766.258  128.241   0.0000   0.0000  766.258  128.241  ?   ?   243.344   21.319 0.000000 21.31855 
1 1 1  -12  -14   14 f  106.001   16.656  146.160   42.636  196.323   73.156  120.358   52.468  120.826   25.068   94.754   22.508 26.07204 33.68950 
1 1 1  -12  -14   15 o  312.056   17.053  1244.19  132.384  1338.98  193.943  1161.48  181.150  319.995   24.456  297.853   24.574 22.14230 34.66956 
1 1 1  -12  -14   16 o  212.362   15.411  575.677   81.170  542.101  123.462  601.239  107.724  202.515   24.940  215.370   20.268 -12.85564 32.13745 
1 1 1  -12  -14   17 o  338.787   27.639  1523.88  231.795  1523.88  231.795   0.0000   0.0000  338.787   27.639  ?   ?  0.000000 27.63937 
1 1 1  -12  -14   18 o   92.953   19.920  115.213   44.847   33.078   81.644  150.705   53.668   71.321   29.075  106.343   20.955 -35.02187 35.83901 
1 1 1  -12  -14   19 o   94.255   19.767  118.480   45.039  148.219   88.426  108.062   52.337  103.841   31.417   89.408   23.230 14.43317 39.07305 
1 1 1  -12  -14   20 o  154.238   16.477  307.269   62.479  295.333  108.301  313.224   76.491  145.595   30.752  154.437   20.328 -8.842087 36.86313 
1 1 1  -12  -14   21 o  186.499   16.064  447.849   74.082  483.041  125.634  429.090   91.725  188.559   27.490  180.742   20.696 7.816605 34.40934 
1 1 1  -12  -14   22 o  199.071   20.801  521.798  101.877   0.0000   0.0000  521.798  101.877  ?   ?   199.071   20.801 0.000000 20.80068 
1 1 1  -12  -14   23 o  120.936   18.851  194.144   55.073  246.754  113.883  178.085   62.920  129.353   34.587  114.221   22.857 15.13169 41.45708 
1 1 1  -12  -14   24 o  127.639   18.334  216.510   56.760  273.933  117.160  198.899   64.882  134.922   34.606  120.533   22.380 14.38921 41.21221 
1 1 1  -12  -14   25 o  168.455   17.420  375.177   72.220  333.720  134.446  391.991   85.622  145.502   36.937  170.447   20.529 -24.94527 42.25859 
1 1 1  -12  -14   26 o  113.578   20.659  178.475   56.435  209.555  122.402  170.085   63.599  113.022   37.325  109.067   24.002 3.955170 44.37638 
1 1 1  -12  -14   27 o   80.274   23.017   93.108   48.527   0.0000   0.0000   93.108   48.527  ?   ?    80.274   23.017 0.000000 23.01669 
1 1 1  -12  -14   28 o   78.246   34.064   59.354  124.587   59.354  124.587   0.0000   0.0000   78.246   34.064  ?   ?  0.000000 34.06354 
1 1 1  -12  -14   29 o  104.682   22.240  161.789   56.345   0.0000   0.0000  161.789   56.345  ?   ?   104.682   22.240 0.000000 22.24027 
1 1 1  -12  -14   30 o   73.748   22.748   82.372   46.069   0.0000   0.0000   82.372   46.069  ?   ?    73.748   22.748 0.000000 22.74814 
1 1 1  -12  -14   31 o   49.368   19.965   23.676   38.144   0.0000   0.0000   23.676   38.144  ?   ?    49.368   19.965 0.000000 19.96537 
1 1 1  -12  -14   32 o   75.082   23.311   90.374   48.288   0.0000   0.0000   90.374   48.288  ?   ?    75.082   23.311 0.000000 23.31109 
1 1 1  -12  -13    1 o  248.608   13.754  777.168   85.056   0.0000   0.0000  777.168   85.056  ?   ?   248.608   13.754 0.000000 13.75399 
1 1 1  -12  -13    2 o  464.866   22.075  2728.09  256.260  2467.47  363.133  2986.64  361.683  437.827   33.467  483.246   30.121 -45.41928 45.02586 
1 1 1  -12  -13    3 o  151.310   19.331  293.014   71.371   0.0000   0.0000  293.014   71.371  ?   ?   151.310   19.331 0.000000 19.33051 
1 1 1  -12  -13    4 o  472.092   22.286  2819.05  262.727  2809.90  372.950  2828.07  370.170  467.065   32.172  468.737   31.813 -1.672302 45.24476 
1 1 1  -12  -13    5 o  422.161   20.398  2251.75  215.035  2280.83  305.542  2223.21  302.688  421.345   29.220  415.919   29.331 5.425659 41.40171 
1 1 1  -12  -13    6 o  226.621   14.527  648.083   81.775  672.358  118.687  626.143  112.831  229.569   20.933  221.542   20.632 8.026520 29.39204 
1 1 1  -12  -13    7 o  400.304   19.617  2027.42  196.097  2091.90  279.262  1964.70  275.425  403.032   27.919  390.299   28.455 12.73315 39.86440 
1 1 1  -12  -13    8 o  503.154   23.593  3228.56  296.436  3283.24  420.886  3174.74  417.582  500.897   33.847  492.298   34.179 8.599121 48.10242 
1 1 1  -12  -13    9 f  345.028   26.217  1537.85  224.200  1537.85  224.200   0.0000   0.0000  345.028   26.217  ?   ?  0.000000 26.21747 
1 1 1  -12  -13   10 o  237.123   14.973  712.173   88.204  728.049  128.142  697.878  121.594  237.896   21.813  233.091   21.119 4.805008 30.36167 
1 1 1  -12  -13   11 o  293.502   16.629  1094.24  121.375  1051.11  174.685  1134.50  168.767  284.683   24.821  296.613   22.964 -11.93005 33.81419 
1 1 1  -12  -13   12 o  169.042   14.094  363.151   58.952  419.960   89.999  320.459   78.021  180.264   20.349  157.184   20.355 23.07977 28.78233 
1 1 1  -12  -13   13 o  391.627   19.937  1964.94  194.327  1917.69  277.861  2010.19  271.877  381.254   29.413  391.355   28.005 -10.10013 40.61232 
1 1 1  -12  -13   14 o  224.689   20.790  652.447  115.329   0.0000   0.0000  652.447  115.329  ?   ?   224.689   20.790 0.000000 20.79020 
1 1 1  -12  -13   15 o  439.854   21.585  2489.62  237.088  2518.22  339.387  2462.36  331.342  434.227   31.513  429.740   31.086 4.487427 44.26540 
1 1 1  -12  -13   16 o  418.290   21.133  2256.66  220.034  2206.89  315.498  2303.79  307.025  405.982   31.363  416.250   29.733 -10.26733 43.21672 
1 1 1  -12  -13   17 o  187.001   14.772  446.019   68.418  543.007  108.090  381.182   88.376  204.190   21.523  170.853   21.167 33.33739 30.18718 
1 1 1  -12  -13   18 f  349.658   28.216  1624.40  244.269  1624.40  244.269   0.0000   0.0000  349.658   28.216  ?   ?  0.000000 28.21552 
1 1 1  -12  -13   19 o  139.794   16.244  252.066   55.648  289.815   95.720  232.794   68.393  146.256   27.210  132.749   21.356 13.50740 34.58958 
1 1 1  -12  -13   20 o  223.162   16.206  638.091   89.695  612.234  140.043  656.075  116.795  213.959   26.799  224.354   21.094 -10.39558 34.10493 
1 1 1  -12  -13   21 o   77.237   21.721   79.729   43.647   55.069   87.591   87.875   50.343   77.896   30.666   81.023   23.505 -3.126915 38.63765 
1 1 1  -12  -13   22 o  126.872   18.174  210.858   55.935  196.096  107.340  216.361   65.537  117.389   34.399  127.480   21.341 -10.09122 40.48127 
1 1 1  -12  -13   23 o   76.761   23.623   78.402   49.714   0.0000   0.0000   78.402   49.714  ?   ?    76.761   23.623 0.000000 23.62338 
1 1 1  -12  -13   24 o  272.806   16.742  962.756  113.506  1177.03  182.203  826.858  145.102  295.726   24.904  248.463   23.673 47.26317 34.36011 
1 1 1  -12  -13   25 o  214.767   16.679  600.975   88.751  724.492  155.172  540.925  108.196  227.957   27.837  200.679   21.948 27.27866 35.44897 
1 1 1  -12  -13   26 o  183.298   17.674  444.123   79.895  347.813  143.446  487.436   96.197  147.345   38.544  190.286   20.572 -42.94072 43.69022 
1 1 1  -12  -13   27 f  117.592   38.378  230.440  129.548  230.440  129.548   0.0000   0.0000  117.592   38.378  ?   ?  0.000000 38.37836 
1 1 1  -12  -13   28 o   46.457   19.439   10.565   37.801  -3.4203  119.236   12.128   39.857   70.178   31.750   47.892   19.994 22.28630 37.52099 
1 1 1  -12  -13   29 o   97.209   21.241  136.112   50.121  134.756  130.902  136.345   54.255   91.484   36.990   96.322   22.893 -4.838188 43.50124 
1 1 1  -12  -13   30 o  121.558   21.782  215.015   63.691   0.0000   0.0000  215.015   63.691  ?   ?   121.558   21.782 0.000000 21.78195 
1 1 1  -12  -13   31 o   81.282   23.215  101.130   49.460   0.0000   0.0000  101.130   49.460  ?   ?    81.282   23.215 0.000000 23.21474 
1 1 1  -12  -13   32 o   90.806   23.162  128.174   52.689   0.0000   0.0000  128.174   52.689  ?   ?    90.806   23.162 0.000000 23.16215 
1 1 1  -12  -13   33 o   75.916   23.254   92.194   48.237   0.0000   0.0000   92.194   48.237  ?   ?    75.916   23.254 0.000000 23.25421 
1 1 1  -12  -12    1 o  284.631   22.791  1027.71  160.632  1027.71  160.632   0.0000   0.0000  284.631   22.791  ?   ?  0.000000 22.79072 
1 1 1  -12  -12    2 o  338.420   14.358  1435.84  121.337  1340.87  211.874  1482.18  148.012  324.445   26.379  343.089   17.332 -18.64420 31.56367 
1 1 1  -12  -12    3 o  522.651   19.622  3438.57  256.100  3452.12  445.186  3431.87  313.094  518.207   34.601  521.079   24.061 -2.872620 42.14494 
1 1 1  -12  -12    4 o  355.110   25.789  1606.41  227.126   0.0000   0.0000  1606.41  227.126  ?   ?   355.110   25.789 0.000000 25.78858 
1 1 1  -12  -12    5 o  397.977   19.540  1996.27  194.191  1994.49  276.006  1998.01  273.269  394.872   28.176  395.326   27.859 -0.4537659 39.62335 
1 1 1  -12  -12    6 o  451.550   21.528  2577.76  242.751  2571.01  344.353  2584.43  342.260  446.995   31.042  448.283   30.760 -1.288025 43.70130 
1 1 1  -12  -12    7 o  149.798   13.714  284.066   50.733  337.405   75.663  240.498   68.382  162.443   19.012  136.431   20.723 26.01251 28.12292 
1 1 1  -12  -12    8 o  382.007   18.999  1843.73  181.238  1889.44  258.176  1799.32  254.481  383.493   27.134  374.077   27.434 9.416016 38.58603 
1 1 1  -12  -12    9 o  643.956   29.187  5339.61  469.353  5592.57  665.567  5089.37  661.978  648.166   41.336  616.388   43.281 31.77771 59.84906 
1 1 1  -12  -12   10 o  314.509   24.779  1273.28  193.036  1273.28  193.036   0.0000   0.0000  314.509   24.779  ?   ?  0.000000 24.77919 
1 1 1  -12  -12   11 o  451.799   21.762  2603.47  245.527  2610.32  349.277  2596.78  345.213  446.295   31.543  445.332   31.240 0.9621887 44.39480 
1 1 1  -12  -12   12 o  182.413   14.345  422.248   64.815  423.050   96.483  421.588   87.499  180.718   21.821  181.005   19.675 -0.2872620 29.38144 
1 1 1  -12  -12   13 o  364.211   18.917  1692.70  171.457  1656.92  245.449  1726.79  239.610  355.922   27.837  364.133   26.533 -8.210907 38.45702 
1 1 1  -12  -12   14 o  110.910   15.814  158.801   42.558  177.664   69.193  147.324   53.975  115.194   24.788  105.481   21.226 9.712410 32.63474 
1 1 1  -12  -12   15 f  542.657   38.034  4016.29  512.145   0.0000   0.0000  4016.29  512.145  ?   ?   542.657   38.034 0.000000 38.03385 
1 1 1  -12  -12   16 o  618.344   28.882  5029.58  445.973  5155.65  634.122  4906.20  627.334  608.081   42.018  592.120   42.713 15.96075 59.91595 
1 1 1  -12  -12   17 o  352.034   18.688  1587.66  163.698  1583.64  236.441  1591.35  226.863  346.512   27.552  348.187   26.285 -1.674469 38.07931 
1 1 1  -12  -12   18 o  300.488   16.620  1152.30  124.230  1311.82  183.542  1017.44  168.762  317.441   23.317  278.776   24.490 38.66516 33.81499 
1 1 1  -12  -12   19 o  233.031   24.562  714.093  140.778  714.093  140.778   0.0000   0.0000  233.031   24.562  ?   ?  0.000000 24.56194 
1 1 1  -12  -12   20 o  319.454   17.593  1307.43  139.805  1414.04  206.511  1217.22  189.954  327.831   25.425  304.153   25.238 23.67767 35.82373 
1 1 1  -12  -12   21 o  338.499   18.423  1472.96  155.142  1545.46  228.854  1411.30  211.035  341.191   27.083  326.665   26.088 14.52545 37.60400 
1 1 1  -12  -12   22 o  205.146   15.920  539.621   80.918  608.723  131.939  497.959  102.447  213.965   25.175  194.971   21.393 18.99313 33.03688 
1 1 1  -12  -12   23 o  216.877   16.216  604.354   87.188  673.788  142.649  562.946  110.160  224.354   25.940  207.017   21.629 17.33708 33.77377 
1 1 1  -12  -12   24 o  153.007   20.919  309.988   77.836   0.0000   0.0000  309.988   77.836  ?   ?   153.007   20.919 0.000000 20.91939 
1 1 1  -12  -12   25 o  199.421   16.780  515.948   82.788  567.290  144.656  490.941  100.957  201.703   29.600  192.278   21.388 9.424149 36.51881 
1 1 1  -12  -12   26 o  138.390   21.656  259.231   72.386   0.0000   0.0000  259.231   72.386  ?   ?   138.390   21.656 0.000000 21.65588 
1 1 1  -12  -12   27 f  110.098   37.779  188.423  125.322  188.423  125.322   0.0000   0.0000  110.098   37.779  ?   ?  0.000000 37.77884 
1 1 1  -12  -12   28 o   68.908   31.223 -16.7647  115.809 -16.7647  115.809   0.0000   0.0000   68.908   31.223  ?   ?  0.000000 31.22265 
1 1 1  -12  -12   29 o   75.467   22.298   81.356   44.939  207.014  127.450   63.514   48.024  109.309   38.064   68.252   23.388 41.05605 44.67532 
1 1 1  -12  -12   30 f   50.721   20.196   23.853   38.394   97.795  125.789   16.257   40.318   84.707   35.454   48.983   20.250 35.72423 40.82975 
1 1 1  -12  -12   31 o  118.353   22.082  204.605   62.862   0.0000   0.0000  204.605   62.862  ?   ?   118.353   22.082 0.000000 22.08181 
1 1 1  -12  -12   32 o   99.107   23.006  148.671   55.841   0.0000   0.0000  148.671   55.841  ?   ?    99.107   23.006 0.000000 23.00560 
1 1 1  -12  -12   33 o   45.336   19.474   8.4478   39.652   0.0000   0.0000   8.4478   39.652  ?   ?    45.336   19.474 0.000000 19.47382 
1 1 1  -12  -12   34 o   67.535   22.937   70.929   46.185   0.0000   0.0000   70.929   46.185  ?   ?    67.535   22.937 0.000000 22.93660 
1 1 1  -12  -11    1 o  116.707   10.673  171.807   30.761  228.296   56.961  148.550   36.548  133.761   17.470  108.023   13.869 25.73782 22.30622 
1 1 1  -12  -11    2 o  252.626   12.343  798.986   77.869  592.101  135.925  900.052   95.003  215.018   25.832  267.632   14.267 -52.61359 29.50969 
1 1 1  -12  -11    3 o  531.788   19.563  3556.16  259.788  3832.97  452.097  3419.71  317.428  547.518   33.223  520.458   24.424 27.06024 41.23453 
1 1 1  -12  -11    4 o  524.151   19.640  3456.78  257.073  3146.98  446.088  3610.82  314.558  494.301   36.395  534.807   23.553 -40.50580 43.35173 
1 1 1  -12  -11    5 o  449.589   30.709  2586.38  342.714   0.0000   0.0000  2586.38  342.714  ?   ?   449.589   30.709 0.000000 30.70940 
1 1 1  -12  -11    6 o  367.146   14.932  1691.88  136.904  1757.61  239.869  1660.13  166.727  371.373   26.030  362.725   18.468 8.648224 31.91554 
1 1 1  -12  -11    7 o  582.316   26.515  4310.65  385.567  4415.52  546.494  4206.71  544.062  582.977   37.742  568.492   38.552 14.48572 53.95083 
1 1 1  -12  -11    8 o  786.574   35.327  8000.21  693.900  7897.48  982.041  8102.64  980.606  765.304   51.689  776.104   50.878 -10.79993 72.52840 
1 1 1  -12  -11    9 o  268.310   15.432  908.577  102.961  994.373  148.312  828.761  143.050  279.396   21.420  254.594   22.740 24.80147 31.23965 
1 1 1  -12  -11   10 o  146.791   14.106  273.381   51.070  334.205   76.060  223.448   68.915  161.451   19.245  131.005   21.834 30.44609 29.10486 
1 1 1  -12  -11   11 o  347.534   26.258  1557.35  226.197  1557.35  226.197   0.0000   0.0000  347.534   26.258  ?   ?  0.000000 26.25762 
1 1 1  -12  -11   12 o  451.745   21.786  2601.55  245.761  2585.58  349.452  2617.19  345.694  444.308   31.704  447.393   31.136 -3.085266 44.43661 
1 1 1  -12  -11   13 o  140.976   14.457  253.222   50.173  286.835   76.330  227.650   66.577  148.559   21.174  132.122   20.872 16.43721 29.73220 
1 1 1  -12  -11   14 o  215.214   14.614  587.476   78.075  644.648  115.470  539.325  105.970  223.730   20.910  204.433   21.059 19.29677 29.67702 
1 1 1  -12  -11   15 o  327.456   17.685  1366.38  144.079  1361.44  207.517  1370.97  200.198  323.168   25.933  324.850   24.868 -1.681915 35.92915 
1 1 1  -12  -11   16 o  319.690   24.751  1329.89  196.051   0.0000   0.0000  1329.89  196.051  ?   ?   319.690   24.751 0.000000 24.75062 
1 1 1  -12  -11   17 o  346.943   18.438  1539.06  159.173  1550.20  229.416  1528.73  221.028  343.691   26.946  341.804   26.092 1.887421 37.50876 
1 1 1  -12  -11   18 o  235.864   15.390  708.243   90.148  773.878  135.346  655.908  120.857  244.026   22.463  224.767   21.807 19.25983 31.30659 
1 1 1  -12  -11   19 o  376.189   19.908  1819.16  186.351  1686.16  268.100  1943.48  259.206  355.365   30.507  384.181   27.194 -28.81653 40.86819 
1 1 1  -12  -11   20 o  381.097   29.629  1934.67  279.754  1934.67  279.754   0.0000   0.0000  381.097   29.629  ?   ?  0.000000 29.62904 
1 1 1  -12  -11   21 o  192.644   15.655  474.645   74.661  523.010  119.472  443.653   95.635  199.006   24.562  184.411   21.150 14.59538 32.41299 
1 1 1  -12  -11   22 o  141.448   16.509  258.297   57.215  384.230  102.303  200.980   69.018  169.882   24.850  122.471   23.421 47.41102 34.14734 
1 1 1  -12  -11   23 o  110.008   19.408  159.953   51.367  213.997   97.132  138.971   60.522  123.696   31.393  101.160   24.269 22.53539 39.67979 
1 1 1  -12  -11   24 o  258.164   16.617  855.972  106.556  989.341  169.279  768.447  137.133  272.932   25.119  241.485   23.019 31.44675 34.07111 
1 1 1  -12  -11   25 o  130.757   21.978  228.952   69.218   0.0000   0.0000  228.952   69.218  ?   ?   130.757   21.978 0.000000 21.97804 
1 1 1  -12  -11   26 o  304.646   18.929  1210.94  143.290  1137.77  219.498  1265.28  189.156  284.927   31.369  306.698   24.913 -21.77106 40.05859 
1 1 1  -12  -11   27 o  136.041   18.435  245.559   61.014  246.951  121.098  245.086   70.634  127.170   36.326  134.405   21.791 -7.235085 42.36094 
1 1 1  -12  -11   28 o   56.375   21.611   32.236   42.611   88.813  109.195   22.073   46.280   86.460   34.175   54.387   21.993 32.07291 40.64014 
1 1 1  -12  -11   29 o  117.499   37.856  229.263  126.282  229.263  126.282   0.0000   0.0000  117.499   37.856  ?   ?  0.000000 37.85587 
1 1 1  -12  -11   30 o   54.325   21.034   30.657   40.663   1.2926  122.256   34.310   43.118   71.404   32.241   56.393   21.709 15.01083 38.86879 
1 1 1  -12  -11   31 o   81.255   22.189   96.523   46.291  199.976  130.322   81.586   49.520  104.626   38.257   74.746   23.666 29.88008 44.98519 
1 1 1  -12  -11   32 o  106.643   22.968  168.775   59.359   0.0000   0.0000  168.775   59.359  ?   ?   106.643   22.968 0.000000 22.96840 
1 1 1  -12  -11   33 o   81.737   23.634  102.532   50.971   0.0000   0.0000  102.532   50.971  ?   ?    81.737   23.634 0.000000 23.63376 
1 1 1  -12  -11   34 o  122.990   22.475  228.383   66.483   0.0000   0.0000  228.383   66.483  ?   ?   122.990   22.475 0.000000 22.47490 
1 1 1  -12  -11   35 o  149.533   22.383  342.438   81.009   0.0000   0.0000  342.438   81.009  ?   ?   149.533   22.383 0.000000 22.38253 
1 1 1  -12  -10    1 o  856.540   29.962  9287.40  640.868 10239.95  1112.70  8814.55  783.957  887.083   50.438  831.109   37.773 55.97314 63.01452 
1 1 1  -12  -10    2 o  211.609   11.358  561.860   59.801  577.783  105.825  554.390   72.484  213.502   20.085  209.935   13.905 3.567230 24.42853 
1 1 1  -12  -10    3 o  791.205   28.219  7920.50  557.544  8354.73  967.565  7704.64  682.191  801.014   48.601  777.539   35.134 23.47504 59.97093 
1 1 1  -12  -10    4 o  726.331   26.076  6666.59  472.969  6569.63  820.314  6714.87  578.877  710.518   46.490  726.809   31.894 -16.29169 56.37849 
1 1 1  -12  -10    5 o  207.221   11.458  539.128   59.061  512.698  105.317  551.253   71.334  200.665   21.345  209.299   13.724 -8.633926 25.37637 
1 1 1  -12  -10    6 o  266.505   21.856  901.408  144.175   0.0000   0.0000  901.408  144.175  ?   ?   266.505   21.856 0.000000 21.85605 
1 1 1  -12  -10    7 o  337.681   14.266  1430.31  120.294  1410.65  210.849  1439.80  146.471  332.730   25.572  337.980   17.414 -5.250519 30.93807 
1 1 1  -12  -10    8 f  287.160   13.067  1033.98   93.704  996.020  165.139  1052.01  113.798  279.480   23.891  288.942   15.832 -9.461151 28.66085 
1 1 1  -12  -10    9 o  323.396   17.100  1319.98  137.603  1382.36  196.461  1259.91  192.792  329.276   24.059  314.075   24.783 15.20145 34.54025 
1 1 1  -12  -10   10 o  537.955   24.932  3682.67  334.935  3680.63  474.754  3684.69  472.592  531.349   35.992  531.766   35.797 -0.4163818 50.76298 
1 1 1  -12  -10   11 o  366.410   27.050  1727.36  245.754  1727.36  245.754   0.0000   0.0000  366.410   27.050  ?   ?  0.000000 27.04978 
1 1 1  -12  -10   12 o  531.102   24.851  3606.54  329.592  3561.83  466.650  3651.04  465.579  519.969   36.164  526.892   35.594 -6.923096 50.74197 
1 1 1  -12  -10   13 o  305.127   16.867  1180.29  128.019  1156.48  183.525  1202.85  178.665  299.434   24.766  305.868   23.573 -6.433929 34.19137 
1 1 1  -12  -10   14 o  221.398   14.717  621.032   80.905  672.076  118.814  576.903  110.474  228.680   21.042  211.693   21.182 16.98645 29.85725 
1 1 1  -12  -10   15 o  347.899   18.223  1541.44  157.761  1577.15  226.106  1507.56  220.225  348.335   26.185  340.573   26.093 7.762085 36.96614 
1 1 1  -12  -10   16 o  215.881   14.860  591.759   79.619  623.924  118.139  564.993  107.770  219.639   21.829  209.216   20.908 10.42282 30.22619 
1 1 1  -12  -10   17 o  378.182   27.786  1875.54  260.575   0.0000   0.0000  1875.54  260.575  ?   ?   378.182   27.786 0.000000 27.78647 
1 1 1  -12  -10   18 o  193.584   15.093  477.227   72.385  463.734  109.448  487.718   96.505  188.116   23.833  194.245   20.190 -6.128601 31.23557 
1 1 1  -12  -10   19 o  615.139   28.759  4975.96  441.772  5113.37  628.682  4841.92  620.911  605.817   41.812  588.403   42.544 17.41431 59.65147 
1 1 1  -12  -10   20 o  329.998   17.917  1392.56  147.095  1460.88  214.868  1332.30  201.793  333.764   25.985  318.909   25.554 14.85510 36.44437 
1 1 1  -12  -10   21 f  112.349   29.932  173.207   85.488  173.207   85.488   0.0000   0.0000  112.349   29.932  ?   ?  0.000000 29.93210 
1 1 1  -12  -10   22 o   83.494   21.382   93.271   44.777   63.980   82.646  105.441   53.273   79.310   30.169   88.566   23.644 -9.255951 38.33049 
1 1 1  -12  -10   23 o  117.812   18.222  181.502   51.877  256.166   96.774  151.394   61.453  136.570   29.257  105.901   23.816 30.66943 37.72462 
1 1 1  -12  -10   24 o   56.641   21.408   31.238   41.446   4.7874   88.503   38.667   46.907   67.707   29.089   61.275   22.853 6.432175 36.99214 
1 1 1  -12  -10   25 o  250.210   22.536  822.610  139.298   0.0000   0.0000  822.610  139.298  ?   ?   250.210   22.536 0.000000 22.53582 
1 1 1  -12  -10   27 o  234.401   16.873  712.185   98.107  835.178  164.567  644.373  122.195  247.105   27.115  219.748   22.590 27.35716 35.29160 
1 1 1  -12  -10   28 o   93.506   22.121  120.795   50.845  110.569  112.053  123.446   57.057   92.840   35.174   93.944   24.179 -1.104012 42.68269 
1 1 1  -12  -10   29 o  119.683   19.880  194.555   57.332  171.266  124.979  200.762   64.521  105.821   37.623  120.448   22.272 -14.62662 43.72063 
1 1 1  -12  -10   30 o  226.562   33.433  787.912  183.468  787.912  183.468   0.0000   0.0000  226.562   33.433  ?   ?  0.000000 33.43275 
1 1 1  -12  -10   31 o   89.944   22.524  116.883   50.480  105.157  130.318  118.953   54.755   88.310   36.449   90.110   23.930 -1.799812 43.60272 
1 1 1  -12  -10   32 o  139.143   19.169  268.879   64.839  338.625  149.969  252.844   71.907  132.527   41.071  132.418   22.554 0.1090240 46.85600 
1 1 1  -12  -10   33 o   48.412   20.223   14.797   40.814   0.0000   0.0000   14.797   40.814  ?   ?    48.412   20.223 0.000000 20.22331 
1 1 1  -12  -10   34 o  101.559   23.403  156.649   58.133   0.0000   0.0000  156.649   58.133  ?   ?   101.559   23.403 0.000000 23.40313 
1 1 1  -12  -10   35 o  141.802   22.458  302.304   76.876   0.0000   0.0000  302.304   76.876  ?   ?   141.802   22.458 0.000000 22.45801 
1 1 1  -12  -10   36 o   56.125   22.088   39.894   45.427   0.0000   0.0000   39.894   45.427  ?   ?    56.125   22.088 0.000000 22.08757 
1 1 1  -12   -9    1 o  1058.07   37.425 14261.12  988.840 14557.98  1713.82 14112.98  1210.69  1045.73   65.967  1047.07   46.303 -1.338135 80.59520 
1 1 1  -12   -9    2 o  149.953   11.167  282.828   41.515  193.418   74.000  323.894   50.151  121.691   25.181  160.378   12.624 -38.68690 28.16877 
1 1 1  -12   -9    3 o  307.581   13.348  1184.49  102.522  1238.38  179.698  1158.49  124.832  312.801   23.170  303.519   16.532 9.282623 28.46320 
1 1 1  -12   -9    4 o  414.492   16.398  2154.44  169.727  2018.93  294.954  2221.53  207.528  398.180   29.882  420.484   19.764 -22.30405 35.82630 
1 1 1  -12   -9    5 o  495.942   18.578  3089.16  230.079  3287.94  400.454  2991.21  281.107  507.858   31.735  487.234   23.104 20.62405 39.25446 
1 1 1  -12   -9    6 o  452.966   17.090  2575.61  193.307  2758.77  337.236  2485.98  235.911  465.557   29.155  444.365   21.260 21.19214 36.08273 
1 1 1  -12   -9    7 o  281.333   22.455  1004.39  156.442   0.0000   0.0000  1004.39  156.442  ?   ?   281.333   22.455 0.000000 22.45513 
1 1 1  -12   -9    8 o  396.114   15.265  1969.18  151.001  2173.03  264.586  1870.71  183.889  413.402   25.758  385.527   19.101 27.87518 32.06709 
1 1 1  -12   -9    9 o  601.791   22.191  4576.01  333.483  4184.23  578.531  4770.96  408.108  565.993   41.215  612.867   26.666 -46.87402 49.08950 
1 1 1  -12   -9   10 o  346.731   14.643  1509.81  126.785  1345.72  221.963  1589.27  154.462  323.833   27.715  355.314   17.408 -31.48059 32.72866 
1 1 1  -12   -9   11 o  421.390   20.364  2245.02  214.287  2346.29  304.776  2146.01  301.347  427.280   28.731  408.126   29.773 19.15417 41.37535 
1 1 1  -12   -9   12 o  677.455   45.522  6157.47  765.642  6157.47  765.642   0.0000   0.0000  677.455   45.522  ?   ?  0.000000 45.52230 
1 1 1  -12   -9   13 o  485.209   22.946  2999.10  278.026  3061.20  394.645  2937.92  391.748  484.230   32.831  474.043   33.305 10.18692 46.76577 
1 1 1  -12   -9   14 o  310.037   16.924  1218.45  130.537  1251.55  187.309  1187.20  182.018  311.811   24.246  303.658   24.205 8.153076 34.26018 
1 1 1  -12   -9   15 o  432.766   21.004  2387.56  226.989  2461.26  323.472  2316.07  318.606  433.856   30.042  420.485   30.551 13.37042 42.84711 
1 1 1  -12   -9   16 o  380.858   19.359  1850.71  183.512  1886.59  262.408  1816.36  256.735  380.271   27.827  373.137   27.751 7.134399 39.29954 
1 1 1  -12   -9   17 f  313.091   17.386  1247.98  135.393  1194.46  194.743  1298.05  188.366  302.707   26.015  316.615   24.003 -13.90836 35.39688 
1 1 1  -12   -9   18 o  281.090   23.093  1023.24  160.667   0.0000   0.0000  1023.24  160.667  ?   ?   281.090   23.093 0.000000 23.09340 
1 1 1  -12   -9   19 o  657.244   30.687  5702.25  503.655  5769.95  715.511  5635.76  709.083  640.460   45.024  632.709   45.176 7.751404 63.78101 
1 1 1  -12   -9   20 o  254.352   16.136  824.192  101.957  822.151  151.572  825.878  137.789  250.830   24.512  252.452   22.079 -1.622787 32.98938 
1 1 1  -12   -9   21 o  255.227   16.333  830.705  103.553  810.833  154.075  847.077  139.850  248.631   25.162  255.543   22.134 -6.911560 33.51182 
1 1 1  -12   -9   22 o  159.057   26.861  339.027  102.889  339.027  102.889   0.0000   0.0000  159.057   26.861  ?   ?  0.000000 26.86061 
1 1 1  -12   -9   23 o  119.039   18.376  185.076   52.866  184.845   92.421  185.188   64.451  115.691   31.253  117.829   22.728 -2.137589 38.64299 
1 1 1  -12   -9   24 o  262.785   17.131  884.750  111.800  842.458  170.341  916.755  148.183  251.408   27.586  265.063   22.603 -13.65482 35.66334 
1 1 1  -12   -9   25 o   93.410   22.073  117.504   50.671  169.394   97.932   98.535   59.213  110.474   32.982   85.834   25.651 24.63989 41.78271 
1 1 1  -12   -9   26 o  170.903   17.046  377.508   71.777  415.351  126.152  359.393   87.281  173.536   30.208  164.998   21.710 8.538391 37.20039 
1 1 1  -12   -9   27 o  153.136   21.704  311.874   80.675   0.0000   0.0000  311.874   80.675  ?   ?   153.136   21.704 0.000000 21.70409 
1 1 1  -12   -9   28 o  153.017   18.221  307.647   68.257  262.224  127.676  325.825   80.768  131.982   37.161  156.186   21.261 -24.20395 42.81321 
1 1 1  -12   -9   29 o  208.584   16.926  568.531   87.400  691.163  155.082  511.451  105.803  221.483   28.715  194.734   22.152 26.74879 36.26650 
1 1 1  -12   -9   30 o  103.517   21.521  148.628   53.818  188.531  126.069  139.735   59.513  109.580   37.875   99.173   24.236 10.40663 44.96545 
1 1 1  -12   -9   31 o  166.234   38.296  456.866  155.699  456.866  155.699   0.0000   0.0000  166.234   38.296  ?   ?  0.000000 38.29583 
1 1 1  -12   -9   32 o   80.984   23.403   95.371   49.993   77.945  132.686   98.254   53.971   83.922   35.824   81.877   24.494 2.045303 43.39686 
1 1 1  -12   -9   33 o   90.744   23.269  121.883   52.978  100.531  143.782  125.237   56.988   86.584   37.134   91.332   24.486 -4.747665 44.48040 
1 1 1  -12   -9   34 o  130.578   22.753  249.809   71.497   0.0000   0.0000  249.809   71.497  ?   ?   130.578   22.753 0.000000 22.75322 
1 1 1  -12   -9   35 o   87.850   24.209  119.549   54.813   0.0000   0.0000  119.549   54.813  ?   ?    87.850   24.209 0.000000 24.20926 
1 1 1  -12   -9   36 o   98.144   22.607  147.766   54.263   0.0000   0.0000  147.766   54.263  ?   ?    98.144   22.607 0.000000 22.60657 
1 1 1  -12   -9   37 o  135.831   22.042  282.503   72.204   0.0000   0.0000  282.503   72.204  ?   ?   135.831   22.042 0.000000 22.04238 
1 1 1  -12   -8    1 f  967.207   29.518 11820.40  712.948 12002.95  1008.56 11638.07  1007.96  968.963   41.682  953.777   42.320 15.18512 59.39988 
1 1 1  -12   -8    2 o  349.171   14.424  1526.74  125.766  1269.79  218.033  1654.85  153.960  315.983   27.919  363.323   16.969 -47.33929 32.67147 
1 1 1  -12   -8    3 o  865.635   30.742  9483.79  664.539  9777.31  1152.41  9337.56  813.400  865.687   53.571  855.870   38.058 9.816284 65.71387 
1 1 1  -12   -8    4 o  775.615   27.466  7596.30  531.974  7139.65  921.325  7824.69  651.562  740.859   50.094  785.152   33.232 -44.29285 60.11444 
1 1 1  -12   -8    5 o  831.729   29.639  8756.75  615.604  8813.19  1067.30  8728.61  753.590  821.208   52.318  827.499   36.468 -6.291016 63.77379 
1 1 1  -12   -8    6 o  406.390   16.173  2071.08  164.126  1934.38  285.635  2138.46  200.537  389.700   29.572  412.546   19.466 -22.84555 35.40372 
1 1 1  -12   -8    7 o  704.676   45.579  6455.02  797.753   0.0000   0.0000  6455.02  797.753  ?   ?   704.676   45.579 0.000000 45.57856 
1 1 1  -12   -8    8 o  422.025   29.220  2271.34  306.046   0.0000   0.0000  2271.34  306.046  ?   ?   422.025   29.220 0.000000 29.21986 
1 1 1  -12   -8    9 f  461.888   17.924  2682.31  206.744  2379.95  359.229  2832.07  252.809  430.097   33.717  473.918   21.362 -43.82080 39.91434 
1 1 1  -12   -8   10 o  670.387   24.331  5691.28  407.318  5932.79  707.951  5571.77  497.998  673.827   42.287  660.819   30.178 13.00745 51.95150 
1 1 1  -12   -8   11 o  348.875   14.730  1528.57  128.325  1442.43  224.850  1570.17  156.274  335.579   27.062  352.684   17.801 -17.10480 32.39185 
1 1 1  -12   -8   12 o  301.284   13.249  1139.38   99.677  1183.71  176.374  1118.57  120.822  304.552   23.369  297.681   16.316 6.871338 28.50126 
1 1 1  -12   -8   13 o  558.891   37.852  4106.28  525.166  4106.28  525.166   0.0000   0.0000  558.891   37.852  ?   ?  0.000000 37.85179 
1 1 1  -12   -8   14 o  285.916   16.157  1034.13  114.886  1092.72  164.744  978.658  160.294  292.103   22.765  276.124   23.469 15.97910 32.69629 
1 1 1  -12   -8   15 o  290.434   16.336  1068.55  118.000  1113.35  169.727  1026.63  164.166  294.345   23.281  282.510   23.483 11.83499 33.06748 
1 1 1  -12   -8   16 o   91.202   17.751  108.891   38.973  122.156   62.045  100.246   50.087   95.758   25.494   86.958   22.790 8.800514 34.19554 
1 1 1  -12   -8   17 o  300.003   16.855  1143.60  125.758  1142.12  181.160  1144.99  174.712  296.911   24.657  297.694   23.698 -0.7822571 34.19867 
1 1 1  -12   -8   18 o  234.130   15.491  696.310   90.059  641.234  131.651  744.753  123.469  221.934   24.144  240.585   20.754 -18.65161 31.83849 
1 1 1  -12   -8   19 o  138.067   20.692  248.807   69.142   0.0000   0.0000  248.807   69.142  ?   ?   138.067   20.692 0.000000 20.69154 
1 1 1  -12   -8   20 o  432.619   21.395  2401.00  231.139  2410.10  330.678  2392.30  323.210  426.063   31.299  424.987   30.661 1.076111 43.81459 
1 1 1  -12   -8   21 o   87.926   19.685  102.589   42.145  102.973   72.501  102.393   51.795   89.182   28.678   87.544   23.287 1.638763 36.94234 
1 1 1  -12   -8   22 o  241.547   15.875  743.326   95.224  797.109  143.500  701.010  127.287  247.307   23.519  232.330   22.210 14.97704 32.34885 
1 1 1  -12   -8   23 o  226.770   25.116  676.220  139.839  676.220  139.839   0.0000   0.0000  226.770   25.116  ?   ?  0.000000 25.11567 
1 1 1  -12   -8   24 o  363.341   27.519  1744.38  247.833   0.0000   0.0000  1744.38  247.833  ?   ?   363.341   27.519 0.000000 27.51876 
1 1 1  -12   -8   25 o  148.445   17.896  285.450   65.003  241.777  108.828  309.673   81.049  131.424   33.161  153.443   21.762 -22.01862 39.66351 
1 1 1  -12   -8   26 o  222.653   16.503  635.792   91.104  705.897  146.312  591.398  116.429  230.428   25.874  212.404   22.283 18.02435 34.14646 
1 1 1  -12   -8   27 o   95.597   21.962  123.444   51.325  189.309  108.131  104.289   58.313  115.624   34.688   87.741   25.252 27.88339 42.90628 
1 1 1  -12   -8   28 o  109.374   24.569  164.210   65.466   0.0000   0.0000  164.210   65.466  ?   ?   109.374   24.569 0.000000 24.56894 
1 1 1  -12   -8   29 f  223.910   17.502  652.962   97.084  620.117  160.314  671.984  121.998  208.838   31.740  224.512   22.045 -15.67349 38.64407 
1 1 1  -12   -8   30 f  117.843   20.562  188.404   58.308  210.618  124.607  182.176   65.977  116.797   37.601  114.364   23.873 2.433075 44.53974 
1 1 1  -12   -8   31 o   70.786   23.222   67.592   47.406  144.601  121.051   53.642   51.522   99.088   36.761   66.226   24.079 32.86183 43.94458 
1 1 1  -12   -8   32 o  101.791   38.286  166.181  132.190  166.181  132.190   0.0000   0.0000  101.791   38.286  ?   ?  0.000000 38.28551 
1 1 1  -12   -8   33 o  201.842   18.343  553.101   91.449  564.464  172.161  548.635  107.935  180.328   39.338  197.371   22.290 -17.04370 45.21418 
1 1 1  -12   -8   34 o   53.904   20.527   32.817   38.287  310.127  146.746   12.561   39.661  126.433   40.816   47.529   19.902 78.90391 45.40953 
1 1 1  -12   -8   35 o   69.864   22.981   71.067   46.417   0.0000   0.0000   71.067   46.417  ?   ?    69.864   22.981 0.000000 22.98078 
1 1 1  -12   -8   36 o  122.705   21.967  222.402   64.840   0.0000   0.0000  222.402   64.840  ?   ?   122.705   21.967 0.000000 21.96745 
1 1 1  -12   -8   37 o   53.683   21.067   33.725   41.220   0.0000   0.0000   33.725   41.220  ?   ?    53.683   21.067 0.000000 21.06746 
1 1 1  -12   -8   38 o   78.004   23.136   97.960   48.306   0.0000   0.0000   97.960   48.306  ?   ?    78.004   23.136 0.000000 23.13607 
1 1 1  -12   -7    1 o  357.863   18.144  1610.07  161.613  1383.14  229.124  1834.76  227.991  329.956   28.074  381.132   24.078 -51.17599 36.98577 
1 1 1  -12   -7    2 o  154.768   9.0663  300.433   34.887  312.040   49.691  289.151   48.992  157.401   12.752  151.443   13.083 5.957901 18.26936 
1 1 1  -12   -7    3 o  244.381   11.005  746.926   67.159  951.878  118.944  651.007   81.371  274.991   17.411  227.565   14.393 47.42642 22.58986 
1 1 1  -12   -7    4 o  1225.11   43.293 19237.87  1324.48 19339.65  2294.83 19187.03  1621.87  1193.00   77.449  1215.29   53.443 -22.28845 94.09814 
1 1 1  -12   -7    5 o  232.077   10.577  673.598   61.296  821.298  109.504  606.202   73.971  255.335   17.276  219.630   13.553 35.70399 21.95766 
1 1 1  -12   -7    6 o  709.834   25.534  6354.60  452.619  6188.96  784.631  6437.21  554.105  691.611   45.688  712.706   31.134 -21.09473 55.28783 
1 1 1  -12   -7    7 o  708.440   25.258  6332.22  446.839  6763.52  776.076  6118.34  546.516  723.846   43.130  694.369   31.518 29.47748 53.41932 
1 1 1  -12   -7    8 f  363.726   26.203  1680.31  236.405   0.0000   0.0000  1680.31  236.405  ?   ?   363.726   26.203 0.000000 26.20301 
1 1 1  -12   -7    9 o  298.686   13.434  1117.84  100.202  1004.93  176.496  1171.54  121.720  280.823   25.444  305.135   16.030 -24.31198 30.07313 
1 1 1  -12   -7   10 o  447.188   17.300  2513.05  193.187  2604.61  336.839  2468.17  235.828  451.407   30.053  442.435   21.345 8.971741 36.86204 
1 1 1  -12   -7   11 o  492.092   18.489  3048.32  227.199  3225.00  396.079  2961.68  277.370  501.240   31.808  483.985   22.950 17.25500 39.22319 
1 1 1  -12   -7   12 o  343.081   14.547  1478.03  124.629  1388.13  218.401  1521.43  151.765  329.234   26.797  347.200   17.561 -17.96527 32.03858 
1 1 1  -12   -7   13 o  487.766   18.515  3001.49  225.521  3124.43  393.489  2941.35  275.207  491.595   32.232  481.549   22.886 10.04581 39.53045 
1 1 1  -12   -7   14 o  369.024   19.358  1726.74  177.770  1343.70  253.163  2099.33  249.684  321.029   32.006  405.073   24.803 -84.04349 40.49170 
1 1 1  -12   -7   15 o  164.059   10.827  339.039   44.108  377.837   83.578  324.062   51.929  171.555   19.877  160.046   13.108 11.50865 23.81038 
1 1 1  -12   -7   16 o  403.556   20.007  2068.64  201.616  2091.06  287.036  2046.81  283.258  401.152   28.846  396.905   28.774 4.247711 40.74376 
1 1 1  -12   -7   17 o  110.522   16.392  157.680   43.868  139.428   68.523  170.357   57.105  102.094   26.607  113.953   20.835 -11.85957 33.79442 
1 1 1  -12   -7   18 o  124.548   15.561  199.014   47.341  197.324   73.060  200.236   62.155  121.737   24.873  123.679   20.867 -1.941658 32.46730 
1 1 1  -12   -7   19 o  129.070   15.688  213.745   49.525  256.626   78.080  184.879   64.061  139.639   23.206  118.243   22.518 21.39664 32.33514 
1 1 1  -12   -7   20 o  318.710   24.890  1320.03  196.525   0.0000   0.0000  1320.03  196.525  ?   ?   318.710   24.890 0.000000 24.89038 
1 1 1  -12   -7   21 o   92.945   19.383  114.172   43.532  100.829   71.832  121.917   54.727   88.495   28.555   95.460   23.188 -6.965179 36.78422 
1 1 1  -12   -7   22 o  171.506   15.581  375.656   66.002  389.034  103.656  366.534   85.596  171.705   24.901  167.924   20.862 3.780609 32.48507 
1 1 1  -12   -7   23 o  102.352   19.779  138.301   48.725  177.304   84.548  118.906   59.621  113.948   29.487   94.066   24.966 19.88245 38.63653 
1 1 1  -12   -7   24 o  149.053   28.580  300.732  102.506  300.732  102.506   0.0000   0.0000  149.053   28.580  ?   ?  0.000000 28.57950 
1 1 1  -12   -7   25 o  633.306   29.858  5319.98  472.201  5464.52  673.626  5180.35  662.109  620.366   43.764  603.139   44.270 17.22705 62.25004 
1 1 1  -12   -7   26 o  240.821   16.683  742.393   99.709  755.346  154.291  733.103  130.658  238.668   26.326  237.021   22.338 1.647369 34.52612 
1 1 1  -12   -7   27 o  307.896   18.287  1219.69  139.975  1218.81  210.664  1220.39  187.299  301.722   28.290  304.229   24.871 -2.507874 37.66835 
1 1 1  -12   -7   28 o  369.651   20.158  1774.13  185.373  1797.55  274.996  1754.63  250.962  363.226   30.603  361.250   28.039 1.976196 41.50597 
1 1 1  -12   -7   29 o  125.839   23.675  215.216   71.666   0.0000   0.0000  215.216   71.666  ?   ?   125.839   23.675 0.000000 23.67480 
1 1 1  -12   -7   30 o  103.798   22.084  147.503   55.484  193.969  119.335  134.688   62.669  114.185   36.801   98.116   25.385 16.06857 44.70697 
1 1 1  -12   -7   31 o   95.959   22.528  128.146   53.060  242.232  119.678  100.233   59.196  125.006   36.234   84.614   25.729 40.39208 44.43980 
1 1 1  -12   -7   32 o  162.243   18.276  351.949   72.756  380.476  143.462  342.072   84.417  153.552   37.693  157.643   22.047 -4.091187 43.66704 
1 1 1  -12   -7   33 f  100.617   38.504  162.285  135.126  162.285  135.126   0.0000   0.0000  100.617   38.504  ?   ?  0.000000 38.50423 
1 1 1  -12   -7   34 o  126.501   19.850  222.642   60.641  128.452  138.046  245.163   67.502   92.235   37.727  131.945   21.205 -39.70988 43.27756 
1 1 1  -12   -7   35 o   62.894   21.936   53.519   42.336 -115.4367  139.826   70.571   44.421   62.179   30.003   70.109   22.438 -7.929493 37.46530 
1 1 1  -12   -7   36 o  200.794   22.202  582.736  109.463   0.0000   0.0000  582.736  109.463  ?   ?   200.794   22.202 0.000000 22.20210 
1 1 1  -12   -7   37 f  144.436   21.844  306.800   76.328   0.0000   0.0000  306.800   76.328  ?   ?   144.436   21.844 0.000000 21.84448 
1 1 1  -12   -7   38 o   87.414   23.711  120.980   53.068   0.0000   0.0000  120.980   53.068  ?   ?    87.414   23.711 0.000000 23.71059 
1 1 1  -12   -6    1 o  242.715   14.425  740.110   87.039  705.227  124.559  773.397  121.676  236.016   21.366  247.468   19.857 -11.45166 29.16810 
1 1 1  -12   -6    2 o  218.651   9.8923  597.691   54.013  636.498   76.471  559.056   76.301  225.096   13.669  210.809   14.584 14.28667 19.98819 
1 1 1  -12   -6    3 o  225.450   9.9830  635.471   56.204  673.366   79.662  597.914   79.307  231.523   13.842  218.033   14.651 13.49049 20.15579 
1 1 1  -12   -6    4 o  676.400   21.027  5746.81  355.169  5878.16  502.480  5615.66  502.090  682.119   29.499  666.536   30.165 15.58258 42.19168 
1 1 1  -12   -6    5 o  353.169   14.073  1561.67  124.116  1674.54  216.750  1506.60  151.395  363.983   23.981  346.180   17.571 17.80371 29.72897 
1 1 1  -12   -6    6 o  174.828   10.369  383.566   45.066  443.091   81.255  357.122   54.159  187.144   17.594  168.418   12.978 18.72568 21.86203 
1 1 1  -12   -6    7 o  380.462   15.117  1813.69  143.620  1963.05  250.783  1740.80  175.194  393.721   25.647  371.897   18.927 21.82431 31.87479 
1 1 1  -12   -6    8 o  632.189   23.062  5033.61  364.076  5091.06  631.934  5005.06  445.430  628.985   40.447  629.006   28.358 -0.2075195E-01 49.39795 
1 1 1  -12   -6    9 o  367.957   26.446  1720.00  241.382   0.0000   0.0000  1720.00  241.382  ?   ?   367.957   26.446 0.000000 26.44620 
1 1 1  -12   -6   10 o  323.727   13.912  1313.48  112.467  1278.56  197.168  1330.33  136.929  317.090   25.106  325.068   16.927 -7.977753 30.27876 
1 1 1  -12   -6   11 o  194.699   11.703  476.420   56.636  344.708  101.173  536.530   68.349  163.098   25.691  206.471   13.327 -43.37279 28.94205 
1 1 1  -12   -6   12 o  325.873   14.221  1332.44  115.729  1071.39  202.163  1459.68  141.143  288.805   28.399  340.778   16.586 -51.97305 32.88741 
1 1 1  -12   -6   13 o  266.423   12.750  890.200   84.824  836.667  150.520  915.113  102.682  255.826   23.836  269.433   15.325 -13.60687 28.33702 
1 1 1  -12   -6   14 o  927.171   33.533 11105.45  776.387 11076.84  1346.42 11119.70  950.285  890.976   60.880  919.753   41.374 -28.77753 73.60815 
1 1 1  -12   -6   15 o  535.360   25.109  3657.44  335.685  3475.70  476.898  3835.91  472.592  514.024   37.409  541.727   35.124 -27.70215 51.31422 
1 1 1  -12   -6   16 o  210.725   11.285  558.788   59.170  604.293  108.303  539.425   70.646  217.371   20.183  206.634   13.770 10.73656 24.43243 
1 1 1  -12   -6   17 o  177.896   11.523  399.074   50.914  384.862   94.739  404.845   60.373  172.291   22.562  178.835   13.621 -6.544113 26.35494 
1 1 1  -12   -6   18 o  258.747   12.708  842.398   82.108  796.563  147.798  862.858   98.749  248.061   24.166  261.009   15.216 -12.94775 28.55790 
1 1 1  -12   -6   19 o  131.751   15.502  222.302   50.026  221.732   77.032  222.717   65.786  129.254   24.767  130.591   20.876 -1.337280 32.39182 
1 1 1  -12   -6   20 o  193.212   14.783  474.264   70.783  546.107  107.005  418.370   94.383  205.666   21.135  179.650   21.463 26.01587 30.12288 
1 1 1  -12   -6   21 o  205.264   20.797  543.993  105.131   0.0000   0.0000  543.993  105.131  ?   ?   205.264   20.797 0.000000 20.79702 
1 1 1  -12   -6   22 o  299.401   17.156  1142.12  127.737  1154.07  185.638  1131.38  176.038  297.568   25.219  295.146   24.095 2.421936 34.87955 
1 1 1  -12   -6   23 o  190.723   20.967  471.389   98.209   0.0000   0.0000  471.389   98.209  ?   ?   190.723   20.967 0.000000 20.96663 
1 1 1  -12   -6   24 o  187.690   15.677  449.601   72.804  574.401  115.659  367.699   93.696  210.123   22.387  167.437   23.018 42.68611 32.10909 
1 1 1  -12   -6   25 o  309.092   27.087  1258.55  206.967  1258.55  206.967   0.0000   0.0000  309.092   27.087  ?   ?  0.000000 27.08729 
1 1 1  -12   -6   26 o  199.364   16.500  508.917   81.409  523.561  129.676  499.391  104.588  198.324   26.876  195.704   21.770 2.620529 34.58686 
1 1 1  -12   -6   27 o  456.231   23.034  2707.75  261.571  2694.60  378.048  2719.83  362.290  444.443   34.329  448.402   32.577 -3.958405 47.32601 
1 1 1  -12   -6   28 o  226.989   16.925  661.878   95.245  680.404  151.559  649.786  122.445  225.164   27.528  222.624   22.326 2.540024 35.44328 
1 1 1  -12   -6   29 o  321.969   18.547  1340.18  148.488  1456.62  226.451  1252.35  196.673  328.860   27.836  306.253   25.961 22.60687 38.06332 
1 1 1  -12   -6   30 o  120.570   23.856  198.591   69.285   0.0000   0.0000  198.591   69.285  ?   ?   120.570   23.856 0.000000 23.85636 
1 1 1  -12   -6   31 o  100.772   20.733  138.211   50.432  261.944  116.358  109.590   55.962  132.213   34.777   88.744   24.464 43.46875 42.51955 
1 1 1  -12   -6   32 o   93.413   22.193  121.565   51.005   83.319  118.054  130.342   56.555   87.046   35.152   96.236   23.692 -9.190071 42.39047 
1 1 1  -12   -6   33 o  175.986   17.105  411.052   74.220  566.222  145.852  356.831   86.218  194.948   30.998  160.803   22.052 34.14491 38.04134 
1 1 1  -12   -6   34 o  158.503   38.532  426.296  151.032  426.296  151.032   0.0000   0.0000  158.503   38.532  ?   ?  0.000000 38.53226 
1 1 1  -12   -6   35 o  173.436   18.335  410.218   78.206  400.647  158.088  413.319   89.988  146.837   41.353  171.504   21.483 -24.66733 46.60048 
1 1 1  -12   -6   36 o   88.312   22.456  114.760   49.634  264.220  146.269   95.310   52.764  115.789   40.751   79.897   24.290 35.89274 47.44116 
1 1 1  -12   -6   37 o  109.139   23.361  178.169   61.745   0.0000   0.0000  178.169   61.745  ?   ?   109.139   23.361 0.000000 23.36057 
1 1 1  -12   -6   38 o   81.418   23.883  103.080   51.719   0.0000   0.0000  103.080   51.719  ?   ?    81.418   23.883 0.000000 23.88303 
1 1 1  -12   -6   39 o   42.860   18.874   0.8027   39.237   0.0000   0.0000   0.8027   39.237  ?   ?    42.860   18.874 0.000000 18.87448 
1 1 1  -12   -5    1 o  1196.76   52.269 18499.77  1562.08 18876.58  2210.28 18123.74  2207.96  1186.28   74.998  1160.57   76.616 25.71191 107.2134 
1 1 1  -12   -5    2 o  150.043   12.778  283.712   47.421  230.624   69.034  331.144   65.252  133.884   21.367  161.757   16.380 -27.87338 26.92275 
1 1 1  -12   -5    3 f  260.510   10.321  848.529   67.143  904.908   95.215  792.760   94.698  268.483   14.253  251.149   15.171 17.33360 20.81543 
1 1 1  -12   -5    4 o  788.578   23.902  7822.75  470.693  7904.92  665.777  7740.65  665.544  789.787   33.757  781.417   34.107 8.369324 47.98794 
1 1 1  -12   -5    5 o  642.560   20.042  5183.12  321.586  5151.42  454.746  5214.84  454.838  638.836   28.506  642.798   28.336 -3.961914 40.19287 
1 1 1  -12   -5    6 o  402.784   13.803  2031.02  138.839  2074.19  196.488  1987.97  196.207  406.524   19.355  397.943   19.744 8.580688 27.64899 
1 1 1  -12   -5    7 o  937.052   33.236 11139.36  777.719 11380.45  1348.27 11019.13  952.078  930.440   58.323  928.124   41.079 2.315857 71.33722 
1 1 1  -12   -5    8 o  745.851   26.593  7021.19  495.293  7420.23  859.679  6822.92  605.971  757.639   45.652  733.086   33.101 24.55243 56.38952 
1 1 1  -12   -5    9 o  356.423   13.819  1591.17  122.997  1791.59  215.649  1494.54  149.740  376.467   23.050  344.674   17.454 31.79343 28.91263 
1 1 1  -12   -5   10 o  123.072   20.483  195.542   60.738   0.0000   0.0000  195.542   60.738  ?   ?   123.072   20.483 0.000000 20.48295 
1 1 1  -12   -5   11 o  218.337   10.607  596.548   57.832  766.010  105.187  523.130   69.235  246.374   17.205  203.856   13.680 42.51857 21.98055 
1 1 1  -12   -5   12 o  472.020   18.201  2802.29  214.540  2663.96  372.898  2870.74  262.298  455.336   33.019  476.945   22.023 -21.60907 39.69003 
1 1 1  -12   -5   13 o  120.289   11.396  182.858   33.823  142.401   65.020  197.868   39.604  103.934   25.292  124.975   12.874 -21.04110 28.37980 
1 1 1  -12   -5   14 o  602.230   21.895  4589.07  329.274  4987.99  573.543  4392.94  402.152  619.160   37.268  587.013   27.434 32.14636 46.27704 
1 1 1  -12   -5   15 o  521.134   19.342  3431.11  251.710  3725.72  439.082  3286.91  307.200  536.204   32.951  508.386   24.198 27.81812 40.88192 
1 1 1  -12   -5   16 o  201.570   14.818  513.994   74.065  339.797  108.703  664.935  101.187  160.546   28.140  228.796   17.852 -68.24953 33.32439 
1 1 1  -12   -5   17 o  194.894   11.389  478.337   55.186  527.691  101.920  457.865   65.641  202.921   20.389  190.259   13.912 12.66151 24.68345 
1 1 1  -12   -5   18 o  398.399   16.329  2005.33  162.454  1865.23  284.754  2072.93  197.802  377.714   30.448  404.013   19.606 -26.29935 36.21435 
1 1 1  -12   -5   19 o  153.659   11.141  298.102   42.460  378.120   83.990  270.633   49.211  171.278   20.014  145.946   13.662 25.33194 24.23258 
1 1 1  -12   -5   20 o  152.928   11.287  295.484   42.799  268.027   84.303  305.018   49.676  142.478   24.582  155.107   12.944 -12.62933 27.78192 
1 1 1  -12   -5   21 o  356.115   18.946  1618.34  167.876  1605.52  243.121  1630.01  232.089  350.273   28.030  353.825   26.459 -3.552063 38.54522 
1 1 1  -12   -5   22 o  237.247   21.713  726.886  127.209   0.0000   0.0000  726.886  127.209  ?   ?   237.247   21.713 0.000000 21.71260 
1 1 1  -12   -5   23 o  255.353   24.449  849.271  153.997  849.271  153.997   0.0000   0.0000  255.353   24.449  ?   ?  0.000000 24.44902 
1 1 1  -12   -5   24 o  110.133   19.041  158.871   50.473  163.850   83.387  155.992   63.409  109.790   29.697  107.899   24.137 1.891312 38.26917 
1 1 1  -12   -5   25 o  140.167   17.279  253.424   59.200  313.408   97.991  218.948   74.289  153.158   26.585  128.223   24.085 24.93501 35.87309 
1 1 1  -12   -5   26 o  180.138   26.717  431.891  116.541  431.891  116.541   0.0000   0.0000  180.138   26.717  ?   ?  0.000000 26.71713 
1 1 1  -12   -5   27 o  303.078   17.934  1176.40  135.125  1207.22  201.822  1151.36  181.915  302.335   27.016  296.478   24.799 5.856689 36.67252 
1 1 1  -12   -5   28 o   93.008   22.765  116.500   52.444  102.509   98.572  122.024   61.938   92.331   33.346   94.898   25.563 -2.567116 42.01702 
1 1 1  -12   -5   29 o  359.068   19.431  1665.55  173.578  1783.01  259.833  1570.88  233.264  364.437   28.785  343.039   27.461 21.39789 39.78283 
1 1 1  -12   -5   30 o  278.617   17.692  1002.59  122.458  1048.35  192.322  971.380  158.813  278.139   28.074  270.687   23.734 7.451904 36.76191 
1 1 1  -12   -5   31 o  227.657   22.039  688.834  123.725   0.0000   0.0000  688.834  123.725  ?   ?   227.657   22.039 0.000000 22.03920 
1 1 1  -12   -5   32 o  183.337   17.057  439.846   77.196  564.485  142.652  388.231   91.799  199.561   29.516  169.493   22.224 30.06789 36.94730 
1 1 1  -12   -5   33 o  132.301   19.556  236.274   62.661  178.392  127.736  254.617   71.907  107.520   38.056  136.213   21.881 -28.69342 43.89767 
1 1 1  -12   -5   34 o  119.404   20.159  196.090   57.969  245.712  127.448  183.147   65.092  121.411   37.900  113.378   23.751 8.032707 44.72738 
1 1 1  -12   -5   35 o  154.542   40.720  423.496  159.349  423.496  159.349   0.0000   0.0000  154.542   40.720  ?   ?  0.000000 40.71997 
1 1 1  -12   -5   36 o  171.508   18.658  402.867   78.622  399.091  160.494  404.060   90.185  145.269   41.918  169.089   21.871 -23.81990 47.28057 
1 1 1  -12   -5   37 o  146.041   19.474  298.011   69.248  277.269  161.962  302.651   76.603  115.480   42.584  145.344   21.776 -29.86329 47.82920 
1 1 1  -12   -5   38 o   95.067   24.088  138.134   57.254   0.0000   0.0000  138.134   57.254  ?   ?    95.067   24.088 0.000000 24.08806 
1 1 1  -12   -5   39 o   87.970   24.123  121.416   54.579   0.0000   0.0000  121.416   54.579  ?   ?    87.970   24.123 0.000000 24.12279 
1 1 1  -12   -4    1 o  352.405   17.526  1556.55  154.228  1620.40  219.189  1493.94  217.051  358.062   24.664  343.595   25.478 14.46695 35.46062 
1 1 1  -12   -4    2 o  491.907   22.759  3040.87  279.572  2978.47  396.000  3102.88  394.751  484.050   32.957  494.308   32.155 -10.25861 46.04434 
1 1 1  -12   -4    3 o  292.320   11.140  1068.61   81.321  1130.96  115.176  1006.63  114.834  300.119   15.420  282.996   16.319 17.12323 22.45172 
1 1 1  -12   -4    4 o  472.513   15.547  2796.37  183.448  2845.96  259.557  2746.87  259.314  475.969   21.837  467.561   22.209 8.408356 31.14698 
1 1 1  -12   -4    5 o  383.191   12.122  1836.90  115.999  1823.92  164.092  1849.87  164.002  381.461   17.226  384.177   17.095 -2.714966 24.26885 
1 1 1  -12   -4    6 o  199.496   9.3187  497.504   46.424  483.906   65.579  511.164   65.728  196.167   13.469  201.677   13.122 -5.509552 18.80426 
1 1 1  -12   -4    7 o  680.468   21.293  5817.94  361.825  5741.04  511.613  5894.89  511.781  673.762   30.408  682.842   30.013 -9.079834 42.72504 
1 1 1  -12   -4    8 o  546.793   20.403  3755.78  278.586  3592.47  483.052  3837.18  341.011  530.005   36.724  551.901   24.743 -21.89661 44.28177 
1 1 1  -12   -4    9 o  350.372   14.153  1537.54  123.828  1661.71  216.635  1477.29  150.911  362.408   24.075  342.689   17.695 19.71857 29.87818 
1 1 1  -12   -4   10 o  860.187   55.465  9748.40  1185.06   0.0000   0.0000  9748.40  1185.06  ?   ?   860.187   55.465 0.000000 55.46469 
1 1 1  -12   -4   11 o  169.201   19.689  364.768   81.635   0.0000   0.0000  364.768   81.635  ?   ?   169.201   19.689 0.000000 19.68875 
1 1 1  -12   -4   12 o  188.807   11.115  447.763   52.173  493.100   94.909  428.131   62.456  197.013   19.550  184.320   13.666 12.69240 23.85273 
1 1 1  -12   -4   13 o  217.507   12.024  594.440   65.058  446.351  115.141  663.893   78.852  186.057   25.449  229.680   13.812 -43.62270 28.95547 
1 1 1  -12   -4   14 o  260.802   12.482  852.655   81.294  830.548  144.233  862.947   98.415  255.224   22.873  261.698   15.124 -6.474640 27.42097 
1 1 1  -12   -4   15 o  271.313   12.668  923.371   85.830  935.167  152.350  917.886  103.885  270.742   22.745  269.763   15.486 0.9788208 27.51602 
1 1 1  -12   -4   16 o  447.112   17.426  2520.94  194.570  2606.24  339.820  2479.34  237.321  449.134   30.479  442.272   21.488 6.861664 37.29218 
1 1 1  -12   -4   17 o  325.834   16.626  1342.56  134.831  1492.97  195.619  1206.44  186.095  341.708   23.060  306.533   24.516 35.17593 33.65718 
1 1 1  -12   -4   18 o  395.570   15.604  1973.43  154.137  2061.42  270.842  1931.27  187.453  399.354   27.323  390.313   19.232 9.041443 33.41267 
1 1 1  -12   -4   19 o  138.351   10.264  241.436   35.208  441.052   75.763  186.454   39.763  186.102   16.473  120.989   13.385 65.11306 21.22508 
1 1 1  -12   -4   20 o  105.384   12.703  141.728   32.755  131.320   69.585  144.691   37.125   99.177   27.255  106.180   14.371 -7.003258 30.81163 
1 1 1  -12   -4   21 o  432.461   17.437  2371.66  188.304  2212.60  330.372  2448.19  229.174  408.827   32.632  437.887   20.958 -29.06058 38.78286 
1 1 1  -12   -4   22 o   83.678   24.215   92.242   53.489   0.0000   0.0000   92.242   53.489  ?   ?    83.678   24.215 0.000000 24.21477 
1 1 1  -12   -4   23 o  349.024   14.624  1539.21  127.457  1633.79  229.035  1496.79  153.406  354.204   26.077  342.698   17.989 11.50626 31.67996 
1 1 1  -12   -4   24 o  334.286   14.508  1412.23  121.107  1440.82  218.768  1399.59  145.424  332.045   26.607  331.396   17.636 0.6484375 31.92141 
1 1 1  -12   -4   25 o  210.801   11.895  561.264   62.362  774.291  126.221  492.469   71.729  245.055   20.823  196.805   14.701 48.24951 25.48991 
1 1 1  -12   -4   26 o  175.559   16.624  394.764   72.013  376.287  113.785  407.109   93.010  167.538   28.199  176.852   21.503 -9.314438 35.46179 
1 1 1  -12   -4   27 o  343.948   28.706  1566.05  244.307  1566.05  244.307   0.0000   0.0000  343.948   28.706  ?   ?  0.000000 28.70644 
1 1 1  -12   -4   28 o  140.016   18.171  254.315   62.035  169.805  109.447  294.316   75.299  111.564   35.169  150.028   20.645 -38.46426 40.78103 
1 1 1  -12   -4   29 o  208.698   16.495  558.474   85.267  629.117  138.488  515.345  108.210  217.561   26.006  198.315   22.233 19.24565 34.21440 
1 1 1  -12   -4   30 o  320.168   18.658  1323.05  148.526  1337.73  222.827  1311.30  199.241  315.163   28.625  314.286   25.609 0.8771057 38.40861 
1 1 1  -12   -4   31 o  327.198   19.602  1394.09  159.426  1245.48  238.993  1513.24  213.997  298.711   32.567  336.079   25.693 -37.36804 41.48191 
1 1 1  -12   -4   32 f  112.549   23.269  173.872   63.239   0.0000   0.0000  173.872   63.239  ?   ?   112.549   23.269 0.000000 23.26905 
1 1 1  -12   -4   33 o  104.601   21.628  150.434   54.629  137.510  116.855  154.049   61.797   99.012   36.223  104.877   24.102 -5.864914 43.50837 
1 1 1  -12   -4   34 o  175.071   17.846  407.311   76.930  461.952  145.831  386.242   90.556  173.126   34.936  167.789   22.154 5.337219 41.36826 
1 1 1  -12   -4   35 o  213.460   17.851  609.151   94.281  732.024  171.334  555.784  112.915  219.109   32.281  199.540   23.087 19.56940 39.68694 
1 1 1  -12   -4   36 o  373.177   39.661  2372.36  363.930  2372.36  363.930   0.0000   0.0000  373.177   39.661  ?   ?  0.000000 39.66073 
1 1 1  -12   -4   37 o  207.826   18.466  589.831   94.835  692.474  185.130  553.314  110.423  199.942   38.475  196.889   22.886 3.052811 44.76704 
1 1 1  -12   -4   38 o   88.684   23.929  118.457   54.218 -70.0434  157.469  143.809   57.749   68.851   32.853   97.926   23.839 -29.07519 40.59137 
1 1 1  -12   -4   39 o   71.345   24.108   75.991   51.019   0.0000   0.0000   75.991   51.019  ?   ?    71.345   24.108 0.000000 24.10759 
1 1 1  -12   -4   40 o  137.290   22.601  283.945   74.788   0.0000   0.0000  283.945   74.788  ?   ?   137.290   22.601 0.000000 22.60100 
1 1 1  -12   -3    1 o  670.606   28.162  5670.12  471.613  6702.24  669.629  4654.28  664.325  725.616   37.079  601.688   44.530 123.9283 57.94647 
1 1 1  -12   -3    2 o  334.090   16.829  1402.03  139.952  1537.45  199.207  1270.06  196.660  349.021   22.985  316.734   25.069 32.28690 34.01101 
1 1 1  -12   -3    3 o  429.598   14.124  2310.08  151.517  2358.97  214.383  2261.28  214.173  433.600   19.799  424.485   20.205 9.115479 28.28853 
1 1 1  -12   -3    4 o  139.508   8.6849  244.178   30.106  282.417   42.947  207.230   42.216  149.824   11.568  127.989   13.407 21.83499 17.70840 
1 1 1  -12   -3    5 o  431.856   14.369  2334.79  154.957  2434.41  219.338  2235.54  218.946  440.434   19.943  421.969   20.778 18.46451 28.79995 
1 1 1  -12   -3    6 o  436.282   14.331  2383.00  156.133  2420.46  220.897  2345.59  220.713  439.122   20.144  432.243   20.448 6.879028 28.70388 
1 1 1  -12   -3    7 o  706.619   21.464  6273.18  378.753  6234.55  535.545  6311.83  535.731  702.217   30.540  706.607   30.361 -4.390198 43.06400 
1 1 1  -12   -3    8 o  180.391   8.6757  406.736   39.082  396.960   55.240  416.532   55.299  177.670   12.531  182.047   12.235 -4.377777 17.51360 
1 1 1  -12   -3    9 o  625.152   19.752  4907.90  308.360  4976.84  436.195  4839.03  435.977  627.753   27.825  618.903   28.209 8.849670 39.62338 
1 1 1  -12   -3   10 o  836.832   29.161  8861.69  609.378  9675.36  1058.05  8457.82  745.426  862.546   49.326  814.403   36.653 48.14362 61.45384 
1 1 1  -12   -3   11 o  261.998   21.858  869.993  141.702   0.0000   0.0000  869.993  141.702  ?   ?   261.998   21.858 0.000000 21.85803 
1 1 1  -12   -3   12 o  241.769   11.068  731.536   66.821  915.560  120.297  649.421   80.358  269.369   17.987  227.181   14.237 42.18767 22.93940 
1 1 1  -12   -3   13 o  538.791   20.153  3655.85  271.154  3642.07  471.284  3662.67  331.522  531.844   35.692  538.148   24.669 -6.304504 43.38796 
1 1 1  -12   -3   14 o  429.583   16.559  2319.19  177.633  2458.39  310.002  2251.15  216.744  438.655   28.454  422.497   20.543 16.15863 35.09496 
1 1 1  -12   -3   15 o  259.050   12.181  841.218   78.799  870.939  140.116  827.470   95.297  261.613   21.642  256.238   14.958 5.375000 26.30805 
1 1 1  -12   -3   16 o  131.226   11.212  217.387   36.387  238.717   69.932  209.467   42.609  135.769   21.330  128.477   13.482 7.292725 25.23327 
1 1 1  -12   -3   17 o  477.348   22.903  2896.26  273.006  2682.25  388.188  3105.70  384.022  453.136   34.566  489.513   31.584 -36.37637 46.82262 
1 1 1  -12   -3   18 f  256.813   13.841  831.909   88.433  1079.14  132.633  634.041  118.656  291.558   18.310  222.354   21.644 69.20377 28.34983 
1 1 1  -12   -3   19 o  360.569   15.172  1639.23  136.608  1571.57  240.089  1671.62  166.120  348.061   27.856  362.841   18.394 -14.78033 33.38125 
1 1 1  -12   -3   20 o  353.654   15.197  1578.33  134.207  1450.42  236.731  1638.91  162.917  333.433   28.711  359.105   18.227 -25.67221 34.00835 
1 1 1  -12   -3   21 o  174.504   14.202  386.448   61.351   0.0000   0.0000  386.448   61.351  ?   ?   174.504   14.202 0.000000 14.20204 
1 1 1  -12   -3   22 o  236.436   23.402  724.065  136.355  724.065  136.355   0.0000   0.0000  236.436   23.402  ?   ?  0.000000 23.40171 
1 1 1  -12   -3   23 o  279.738   23.390  1012.14  161.895   0.0000   0.0000  1012.14  161.895  ?   ?   279.738   23.390 0.000000 23.39024 
1 1 1  -12   -3   24 o  236.724   12.586  707.808   74.135  675.605  139.172  720.565   87.598  227.504   24.904  238.339   14.791 -10.83461 28.96501 
1 1 1  -12   -3   25 o  137.855   12.709  241.456   43.259  210.332   92.784  250.101   48.898  124.225   30.203  140.032   14.179 -15.80670 33.36540 
1 1 1  -12   -3   26 o  130.294   12.103  215.608   38.930  222.363   92.933  214.170   42.873  127.761   29.693  129.599   13.443 -1.837952 32.59460 
1 1 1  -12   -3   27 o  316.483   14.137  1266.25  111.726  1328.53  208.234  1241.07  132.396  318.354   26.432  312.005   17.057 6.349182 31.45832 
1 1 1  -12   -3   28 o  108.109   17.092  152.160   44.609   96.455   93.859  168.415   50.701   90.397   32.554  113.487   18.530 -23.08984 37.45855 
1 1 1  -12   -3   29 o  140.660   12.364  251.595   42.989  298.106  107.788  242.798   46.879  147.436   30.290  137.850   13.804 9.586121 33.28662 
1 1 1  -12   -3   30 o  233.921   13.141  694.743   76.454  686.937  157.174  697.162   87.504  225.912   28.494  233.722   15.073 -7.810379 32.23547 
1 1 1  -12   -3   31 o  312.891   19.184  1268.17  149.173  1106.04  223.913  1397.55  200.026  283.037   32.256  324.624   24.864 -41.58661 40.72681 
1 1 1  -12   -3   32 o   61.795   22.594   42.589   45.455 -109.4077  105.577   77.175   50.362   57.295   27.215   76.173   23.832 -18.87766 36.17511 
1 1 1  -12   -3   33 o  251.384   23.324  850.522  144.750   0.0000   0.0000  850.522  144.750  ?   ?   251.384   23.324 0.000000 23.32422 
1 1 1  -12   -3   34 o  195.322   17.615  502.691   84.996  542.057  151.833  484.725  102.574  191.382   32.959  188.974   22.157 2.408264 39.71426 
1 1 1  -12   -3   35 o  203.521   17.610  549.941   88.618  639.609  160.691  510.752  106.233  206.390   32.232  192.547   22.519 13.84325 39.31954 
1 1 1  -12   -3   36 o  428.870   23.575  2571.62  251.510  2743.40  377.506  2434.52  337.265  412.265   37.065  393.910   34.639 18.35526 50.73113 
1 1 1  -12   -3   37 o   84.078   36.406   72.338  140.796   72.338  140.796   0.0000   0.0000   84.078   36.406  ?   ?  0.000000 36.40620 
1 1 1  -12   -3   38 o  116.159   22.060  194.153   61.650  128.844  153.276  206.758   67.337   91.829   38.823  118.929   23.507 -27.10014 45.38474 
1 1 1  -12   -3   39 o  239.082   18.828  792.378  111.501  1085.26  218.868  689.726  129.576  250.427   36.036  215.893   24.466 34.53404 43.55719 
1 1 1  -12   -3   40 o  105.113   24.540  170.883   63.245   0.0000   0.0000  170.883   63.245  ?   ?   105.113   24.540 0.000000 24.54047 
1 1 1  -12   -2    1 o  449.883   20.804  2540.55  233.723  2777.57  331.671  2306.74  329.410  468.479   28.486  426.183   31.168 42.29636 42.22466 
1 1 1  -12   -2    2 o  469.474   21.889  2768.25  256.614  2733.70  363.435  2802.59  362.381  464.037   31.551  469.994   31.051 -5.956909 44.26757 
1 1 1  -12   -2    3 o  254.750   10.340  811.379   65.780  839.877   92.964  782.803   93.091  258.621   14.453  249.594   15.005 9.027115 20.83350 
1 1 1  -12   -2    4 o  782.372   23.703  7696.42  463.090  7823.15  655.022  7569.78  654.795  786.099   33.368  773.088   33.918 13.01123 47.57957 
1 1 1  -12   -2    5 o  424.180   14.199  2252.31  150.408  2330.26  212.852  2174.57  212.567  430.941   19.779  416.226   20.451 14.71539 28.45107 
1 1 1  -12   -2    6 o  604.532   18.084  4582.35  273.001  4617.61  386.152  4547.11  386.013  605.590   25.535  600.912   25.724 4.678223 36.24560 
1 1 1  -12   -2    7 o  591.011   18.731  4381.52  276.448  4552.82  391.151  4210.55  390.761  601.156   26.056  577.913   27.077 23.24347 37.57753 
1 1 1  -12   -2    8 o  189.233   9.6384  448.839   45.396  498.485   64.390  399.777   64.010  199.156   13.019  178.093   14.519 21.06291 19.50133 
1 1 1  -12   -2    9 o  359.352   12.748  1616.11  114.397  1578.16  161.754  1654.09  161.809  354.198   18.351  363.144   17.843 -8.946564 25.59541 
1 1 1  -12   -2   10 o  398.757   13.616  1990.95  135.588  2003.20  191.732  1978.69  191.770  399.424   19.222  396.959   19.346 2.464874 27.27196 
1 1 1  -12   -2   11 o  278.801   15.910  977.701  110.307  1265.61  155.200  683.785  156.809  316.764   19.718  230.969   27.742 85.79547 34.03585 
1 1 1  -12   -2   12 o  333.688   24.892  1413.35  205.926   0.0000   0.0000  1413.35  205.926  ?   ?   333.688   24.892 0.000000 24.89190 
1 1 1  -12   -2   13 o  575.466   21.241  4172.19  305.247  4277.02  530.290  4120.24  373.292  576.323   37.043  570.543   26.201 5.780212 45.37215 
1 1 1  -12   -2   14 o  209.712   9.9370  550.329   52.039  777.048   96.498  457.356   61.795  248.307   15.642  190.584   13.063 57.72313 20.37948 
1 1 1  -12   -2   15 o  817.542   28.539  8515.44  582.640  9311.17  1012.21  8121.15  712.516  837.997   48.578  793.753   35.947 44.24420 60.43202 
1 1 1  -12   -2   16 o  656.398   23.419  5462.96  383.879  5860.67  667.675  5266.56  469.181  669.023   40.150  641.744   29.277 27.27838 49.69084 
1 1 1  -12   -2   17 o  362.410   15.351  1652.27  138.930  1408.44  242.511  1771.38  169.502  330.000   29.748  374.696   18.115 -44.69650 34.82988 
1 1 1  -12   -2   18 o  530.466   24.007  3586.46  318.010  3882.36  453.339  3299.78  446.215  545.839   33.420  501.481   35.869 44.35785 49.02501 
1 1 1  -12   -2   19 o  273.272   12.947  938.693   88.354  977.975  157.923  920.796  106.598  276.013   23.125  269.743   15.895 6.270599 28.06131 
1 1 1  -12   -2   20 o  330.081   14.455  1372.88  119.146  1273.35  210.403  1419.86  144.557  313.244   27.167  334.578   17.361 -21.33401 32.24075 
1 1 1  -12   -2   21 o  203.400   11.794  521.660   59.647  549.765  111.231  510.316   70.666  206.432   21.912  200.729   14.189 5.703491 26.10518 
1 1 1  -12   -2   22 o  155.613   11.622  306.036   44.835  268.011   88.792  319.050   51.944  142.129   25.975  158.627   13.234 -16.49837 29.15154 
1 1 1  -12   -2   23 o  245.037   12.598  757.807   76.826  753.091  141.066  759.795   91.602  241.032   23.745  244.801   15.057 -3.769135 28.11683 
1 1 1  -12   -2   24 o  201.939   21.170  526.692  105.169   0.0000   0.0000  526.692  105.169  ?   ?   201.939   21.170 0.000000 21.17009 
1 1 1  -12   -2   25 o  288.971   13.184  1052.69   95.136  1154.53  176.279  1010.83  113.007  298.549   23.844  282.067   16.110 16.48227 28.77618 
1 1 1  -12   -2   26 o  359.911   14.750  1637.56  132.565  1835.34  240.782  1551.53  158.799  375.489   25.836  348.724   18.299 26.76590 31.66025 
1 1 1  -12   -2   27 o  332.222   14.142  1394.58  117.322  1492.37  216.097  1353.70  139.704  338.198   25.782  325.958   17.224 12.24008 31.00595 
1 1 1  -12   -2   28 o   84.418   15.358   92.995   31.184   72.592   88.516   95.886   33.320   83.271   31.327   85.581   16.184 -2.310020 35.26068 
1 1 1  -12   -2   29 o  257.277   14.766  841.205   94.468  1194.74  157.645  643.124  118.001  304.254   20.875  222.585   21.497 81.66881 29.96471 
1 1 1  -12   -2   30 o  256.533   12.543  831.245   80.350  1067.96  165.720  758.495   91.871  285.885   23.419  243.962   15.155 41.92229 27.89453 
1 1 1  -12   -2   31 o  166.452   13.338  353.246   54.974  202.546  127.153  387.892   60.967  119.670   37.927  174.258   14.132 -54.58797 40.47416 
1 1 1  -12   -2   32 o  155.346   13.341  308.733   51.252  191.148  126.682  331.746   56.043  115.654   37.961  160.853   14.094 -45.19916 40.49337 
1 1 1  -12   -2   33 o  291.129   13.988  1082.50  101.690  1144.85  206.753  1062.61  116.793  287.771   29.174  286.836   16.373 0.9350891 33.45483 
1 1 1  -12   -2   34 o  177.925   18.218  417.188   79.802  524.046  162.396  383.170   91.628  186.766   36.126  168.262   22.361 18.50391 42.48657 
1 1 1  -12   -2   35 o  110.311   13.788  158.892   37.151  175.806  128.968  157.361   38.796  106.896   38.196  109.506   14.547 -2.609573 40.87206 
1 1 1  -12   -2   36 o  199.610   12.504  514.335   62.011  765.252  165.790  473.521   66.865  227.760   29.869  190.624   14.147 37.13553 33.05051 
1 1 1  -12   -2   37 f  204.448   12.851  542.678   65.275  737.688  175.048  511.182   70.349  217.266   33.328  197.466   14.365 19.79990 36.29153 
1 1 1  -12   -2   38 o  104.954   14.387  146.677   36.715  293.044  155.905  138.083   37.777  123.605   42.141  101.329   15.416 22.27650 44.87164 
1 1 1  -12   -2   39 o  111.346   13.599  164.597   37.027  437.277  166.023  150.324   37.984  149.704   42.455  105.785   14.783 43.91829 44.95473 
1 1 1  -12   -2   40 o  103.816   13.998  144.788   35.364  370.601  180.156  135.739   36.065  126.411   45.146  100.018   14.894 26.39284 47.53976 
1 1 1  -12   -2   41 o  164.264   23.233  404.953   92.643   0.0000   0.0000  404.953   92.643  ?   ?   164.264   23.233 0.000000 23.23310 
1 1 1  -12   -1    1 o  562.164   25.165  3976.69  353.275  4287.19  500.661  3668.79  498.558  580.693   34.685  536.207   37.469 44.48621 51.05819 
1 1 1  -12   -1    2 o  260.134   10.278  846.022   66.766  870.392   94.385  821.614   94.459  263.298   14.410  255.745   14.854 7.553131 20.69534 
1 1 1  -12   -1    3 o  544.412   17.389  3714.48  236.405  3683.01  334.152  3746.00  334.502  541.071   24.731  545.709   24.546 -4.638062 34.84449 
1 1 1  -12   -1    4 o  471.857   15.524  2788.32  182.917  2835.82  258.673  2740.81  258.694  475.168   21.800  467.093   22.178 8.075378 31.09848 
1 1 1  -12   -1    5 o  677.863   21.136  5769.51  357.784  5903.94  506.149  5635.25  505.818  683.870   29.638  667.956   30.325 15.91388 42.40301 
1 1 1  -12   -1    6 o  359.400   12.454  1615.98  111.772  1623.50  158.040  1608.45  158.098  359.881   17.586  358.203   17.675 1.678864 24.93277 
1 1 1  -12   -1    7 o  380.797   13.165  1814.63  125.186  1832.77  177.025  1796.49  177.053  382.270   18.545  378.450   18.735 3.819458 26.36062 
1 1 1  -12   -1    8 o  164.187   9.2170  338.033   37.637  328.730   53.230  347.333   53.225  161.521   13.316  166.101   12.934 -4.579361 18.56326 
1 1 1  -12   -1    9 o  917.226   28.025 10620.19  641.916 10747.74  907.938 10492.71  907.676  917.739   39.617  906.548   40.095 11.19061 56.36615 
1 1 1  -12   -1   10 o  515.691   16.741  3334.24  215.588  3407.47  304.969  3261.08  304.807  520.286   23.473  508.897   23.985 11.38928 33.55978 
1 1 1  -12   -1   11 o  409.174   14.114  2097.03  144.219  2131.95  204.003  2062.15  203.911  411.935   19.832  405.094   20.157 6.840912 28.27741 
1 1 1  -12   -1   12 o  217.516   14.650  595.596   79.113  775.647  109.860  401.644  114.022  247.927   17.864  176.353   26.729 71.57335 32.14925 
1 1 1  -12   -1   13 o  591.526   21.790  4408.41  321.867  4486.55  559.270  4369.71  393.581  590.176   38.152  587.566   26.824 2.610107 46.63827 
1 1 1  -12   -1   14 o  512.719   19.465  3308.64  249.217  3208.04  433.031  3358.47  304.745  499.343   34.948  515.585   23.669 -16.24158 42.20859 
1 1 1  -12   -1   15 o  615.015   21.940  4776.56  336.949  5339.33  586.670  4499.55  411.609  642.810   36.700  594.924   27.706 47.88660 45.98371 
1 1 1  -12   -1   16 o  148.008   10.862  275.844   39.868  316.696   75.209  259.879   47.017  157.288   19.571  143.328   13.287 13.95976 23.65570 
1 1 1  -12   -1   17 o  637.766   22.564  5156.37  359.365  5622.07  625.489  4926.90  439.063  655.688   38.368  620.723   28.326 34.96448 47.69109 
1 1 1  -12   -1   18 o  236.954   12.345  706.558   72.792  655.014  129.952  730.125   87.872  225.815   23.384  240.497   14.702 -14.68166 27.62180 
1 1 1  -12   -1   19 o  348.820   18.645  1543.49  161.827  1329.83  231.782  1746.70  226.041  319.956   29.336  369.015   24.672 -49.05881 38.33157 
1 1 1  -12   -1   20 o  181.894   13.400  418.412   60.435   0.0000   0.0000  418.412   60.435  ?   ?   181.894   13.400 0.000000 13.39954 
1 1 1  -12   -1   21 o  233.345   12.650  686.744   73.435  1127.18  116.192  393.813   94.759  298.415   15.647  174.335   22.276 124.0795 27.22169 
1 1 1  -12   -1   22 o  306.386   13.839  1182.82  105.879  1132.22  188.763  1206.05  127.892  295.426   25.847  308.317   16.673 -12.89117 30.75798 
1 1 1  -12   -1   23 o  263.931   12.802  876.909   84.377  844.994  153.362  890.763  101.044  255.325   24.348  265.114   15.328 -9.788956 28.77127 
1 1 1  -12   -1   24 o  316.037   13.901  1259.65  109.711  1245.84  197.923  1265.77  131.815  309.575   25.838  315.660   16.782 -6.085205 30.81038 
1 1 1  -12   -1   25 o  416.649   30.110  2283.20  311.174   0.0000   0.0000  2283.20  311.174  ?   ?   416.649   30.110 0.000000 30.11042 
1 1 1  -12   -1   26 o  334.506   13.538  1411.29  113.085  1645.29  208.148  1313.30  134.698  356.888   23.487  321.383   16.842 35.50519 28.90138 
1 1 1  -12   -1   27 o  189.209   11.945  452.410   56.148  508.287  115.607  435.160   64.233  197.232   23.965  185.136   13.997 12.09518 27.75298 
1 1 1  -12   -1   28 o  213.512   12.507  576.481   66.392  581.765  133.974  574.760   76.439  210.181   26.086  212.738   14.475 -2.556259 29.83316 
1 1 1  -12   -1   29 o  242.729   12.399  744.733   74.905  883.219  152.093  700.388   86.066  260.403   23.647  234.772   14.755 25.63081 27.87290 
1 1 1  -12   -1   30 o  166.269   15.287  353.555   62.762  396.322  118.662  336.944   73.953  171.398   28.742  161.335   18.703 10.06287 34.29104 
1 1 1  -12   -1   31 o  154.258   12.762  302.823   48.718  259.597  118.538  311.608   53.439  135.468   34.843  156.238   13.840 -20.77011 37.49102 
1 1 1  -12   -1   32 o  280.587   14.491  1004.00  101.190  870.221  196.843  1052.05  117.971  251.193   32.116  286.330   16.570 -35.13667 36.13833 
1 1 1  -12   -1   33 o  362.628   15.433  1683.37  139.751  1787.24  267.031  1644.18  164.005  360.714   29.915  356.040   18.510 4.674164 35.17829 
1 1 1  -12   -1   34 o  257.427   12.524  843.780   80.510  997.008  182.074  806.538   89.762  269.062   27.484  250.518   14.409 18.54453 31.03235 
1 1 1  -12   -1   35 o  288.921   19.459  1105.45  139.577  1007.35  221.947  1169.63  179.519  260.022   35.076  292.082   24.848 -32.06046 42.98609 
1 1 1  -12   -1   36 o  112.985   14.250  167.390   39.311  245.124  133.778  160.044   41.127  122.095   38.924  110.011   15.392 12.08418 41.85691 
1 1 1  -12   -1   37 o  257.436   13.360  859.457   85.593  1160.23  204.444  795.533   94.251  280.091   29.682  246.147   15.411 33.94400 33.44438 
1 1 1  -12   -1   38 o  175.521   12.985  401.235   56.511  476.259  169.988  391.913   59.919  163.211   41.588  172.887   13.999 -9.675980 43.88115 
1 1 1  -12   -1   39 o   60.501   17.540   50.544   28.043   41.603  172.254   50.787   28.422   83.430   37.910   60.638   17.681 22.79195 41.83074 
1 1 1  -12   -1   40 o  118.524   13.535  186.507   39.342  293.370  182.952  181.325   40.284  115.093   44.602  116.543   14.131 -1.449509 46.78733 
1 1 1  -12   -1   41 o   49.156   16.996   31.282   25.389  279.034  190.529   26.804   25.617  107.462   44.180   46.924   16.991 60.53815 47.33512 
1 1 1  -12    0    1 o  337.017   12.155  1420.75  102.295  1405.51  144.492  1436.07  144.842  334.441   17.361  338.084   17.213 -3.642975 24.44767 
1 1 1  -12    0    2 o  625.950   19.659  4915.56  307.288  4941.19  434.487  4889.91  434.655  626.093   27.790  622.803   27.948 3.290710 39.41252 
1 1 1  -12    0    3 o  733.249   22.722  6756.09  416.050  6880.42  588.479  6631.84  588.288  737.676   31.946  724.060   32.536 13.61682 45.59752 
1 1 1  -12    0    4 o  676.418   20.514  5742.80  346.518  5724.41  489.945  5761.20  490.156  673.551   29.129  675.732   29.048 -2.180969 41.13708 
1 1 1  -12    0    5 o  268.267   10.718  899.872   71.802  920.614  101.517  879.108  101.570  270.733   15.076  264.501   15.445 6.231995 21.58263 
1 1 1  -12    0    6 o  341.707   12.276  1460.70  104.753  1481.33  148.113  1440.06  148.172  343.352   17.330  338.491   17.590 4.860535 24.69318 
1 1 1  -12    0    7 o  792.333   24.259  7898.50  479.987  7993.38  678.869  7803.65  678.740  794.095   34.234  784.472   34.648 9.623779 48.70791 
1 1 1  -12    0    8 o  208.790   9.0079  544.891   46.966  539.912   66.414  549.872   66.427  207.318   12.892  209.240   12.774 -1.921326 18.14898 
1 1 1  -12    0    9 o  451.106   15.022  2548.78  169.219  2678.27  239.469  2419.64  239.154  461.768   20.767  438.770   21.827 22.99756 30.12776 
1 1 1  -12    0   10 o  748.493   23.172  7049.71  433.116  7219.02  612.708  6880.61  612.329  754.602   32.515  736.432   33.297 18.17035 46.53929 
1 1 1  -12    0   11 o  724.877   22.536  6612.26  407.938  6885.72  577.293  6339.52  576.532  737.025   31.366  706.740   32.667 30.28430 45.28791 
1 1 1  -12    0   12 o  328.687   17.237  1359.31  140.989  1405.45  197.142  1311.01  201.715  333.087   23.859  321.341   25.343 11.74597 34.80710 
1 1 1  -12    0   13 o  509.252   22.074  3267.16  280.708  2714.17  393.655  3839.25  400.394  460.001   34.521  549.441   29.288 -89.43967 45.27117 
1 1 1  -12    0   14 o  322.171   12.860  1300.33  103.463  1525.35  182.736  1194.16  125.520  347.312   21.171  307.989   16.379 39.32327 26.76690 
1 1 1  -12    0   15 o  402.223   15.667  2031.26  157.364  2243.24  275.453  1928.55  191.733  419.765   26.413  390.809   19.710 28.95682 32.95605 
1 1 1  -12    0   16 o  471.999   17.958  2804.45  211.667  2965.00  368.981  2725.70  258.414  480.585   30.910  464.307   22.287 16.27832 38.10681 
1 1 1  -12    0   17 o  340.346   13.606  1453.96  115.636  1688.18  204.298  1343.55  140.268  364.397   22.562  326.198   17.281 38.19891 28.42003 
1 1 1  -12    0   18 o  554.307   20.988  3890.91  290.517  3543.06  504.373  4063.62  355.393  518.710   39.228  564.729   25.201 -46.01923 46.62564 
1 1 1  -12    0   19 o  121.717   12.237  187.825   36.691  132.654   70.581  208.255   42.950  100.110   27.424  128.007   13.647 -27.89639 30.63178 
1 1 1  -12    0   20 o  184.427   21.859  438.474   98.711  438.474   98.711   0.0000   0.0000  184.427   21.859  ?   ?  0.000000 21.85884 
1 1 1  -12    0   21 o  301.768   13.347  1145.83  100.579  1159.96  178.989  1139.31  121.592  300.141   24.084  299.917   16.296 0.2246399 29.07902 
1 1 1  -12    0   22 o  228.368   12.459  657.753   70.781  529.170  128.720  713.484   84.744  201.154   26.251  237.494   14.357 -36.33969 29.92035 
1 1 1  -12    0   23 o  112.833   12.696  162.179   35.150   98.726   73.614  180.919   40.006   88.423   28.934  119.068   13.705 -30.64539 32.01517 
1 1 1  -12    0   24 o  222.354   12.419  624.024   68.683  542.468  127.609  657.286   81.495  203.635   25.664  227.807   14.400 -24.17192 29.42815 
1 1 1  -12    0   25 o  264.019   13.649  881.101   89.683  660.817  163.309  976.217  107.312  223.124   30.076  277.448   15.551 -54.32326 33.85881 
1 1 1  -12    0   26 o  139.953   22.167  256.638   74.889   0.0000   0.0000  256.638   74.889  ?   ?   139.953   22.167 0.000000 22.16693 
1 1 1  -12    0   27 o  188.428   11.544  448.239   54.060  555.435  113.789  416.992   61.435  206.949   22.375  181.310   13.670 25.63933 26.21989 
1 1 1  -12    0   28 o  498.497   19.047  3168.09  237.109  3162.96  419.306  3170.51  287.487  485.530   34.814  496.218   23.200 -10.68762 41.83643 
1 1 1  -12    0   29 o  104.096   13.640  139.085   34.603  217.333   95.688  127.313   37.115  125.979   30.698   99.120   15.503 26.85883 34.39029 
1 1 1  -12    0   30 o  414.876   17.048  2189.96  176.621  2119.82  318.239  2221.18  212.322  397.626   32.330  416.132   20.432 -18.50626 38.24519 
1 1 1  -12    0   31 o  203.532   15.508  529.088   78.228  596.997  138.350  497.173   94.845  211.857   26.747  195.938   19.649 15.91927 33.18839 
1 1 1  -12    0   32 o  249.224   12.174  784.990   75.764  1130.26  164.327  691.782   85.380  294.026   22.553  232.863   14.759 61.16336 26.95262 
1 1 1  -12    0   33 o  500.555   19.399  3242.50  242.486  3335.58  436.546  3200.97  291.611  486.023   36.229  493.103   23.682 -7.080139 43.28216 
1 1 1  -12    0   34 o  242.230   12.741  748.202   76.796  769.063  170.047  742.857   86.074  235.364   29.586  240.675   14.387 -5.310928 32.89852 
1 1 1  -12    0   35 o  444.431   21.487  2621.46  238.468   0.0000   0.0000  2621.46  238.468  ?   ?   444.431   21.487 0.000000 21.48701 
1 1 1  -12    0   36 o   49.700   17.103   30.024   25.693   14.949  126.719   30.670   26.237   77.182   33.956   50.205   17.283 26.97717 38.10117 
1 1 1  -12    0   37 o  258.479   13.880  866.517   89.265  1003.44  201.878  833.242   99.522  259.033   31.882  252.001   15.896 7.031723 35.62552 
1 1 1  -12    0   38 o  118.827   14.033  185.819   40.837  221.992  150.585  182.948   42.427  112.464   41.123  117.574   14.777 -5.109879 43.69755 
1 1 1  -12    0   39 o   46.118   16.747   24.503   24.912  245.589  151.827   18.386   25.254  115.085   41.409   43.313   16.629 71.77164 44.62279 
1 1 1  -12    0   40 o  121.866   14.212  197.425   42.439   26.019  171.538  208.600   43.801   81.050   37.206  125.282   14.254 -44.23256 39.84335 
1 1 1  -12    0   41 o   41.804   16.328   16.491   24.667   0.0000   0.0000   16.491   24.667  ?   ?    41.804   16.328 0.000000 16.32815 
1 1 1  -12    0   42 o  182.258   13.138  441.164   59.393  800.515  230.511  415.612   61.468  183.602   49.256  176.088   14.097 7.514572 51.23323 
1 1 1  -12    1    1 o  688.005   21.449  5944.34  368.503  5936.50  521.047  5952.19  521.235  685.560   30.436  686.473   30.406 -0.9130249 43.02150 
1 1 1  -12    1    2 o  506.649   16.430  3215.88  207.869  3187.43  293.784  3244.41  294.159  503.537   23.364  508.044   23.186 -4.507050 32.91612 
1 1 1  -12    1    3 o  957.672   29.125 11572.81  696.519 11505.42  984.847 11640.25  985.206  949.742   41.525  955.403   41.294 -5.660645 58.56247 
1 1 1  -12    1    4 o  589.849   18.646  4363.08  274.642  4341.33  388.307  4384.84  388.497  587.080   26.487  590.038   26.367 -2.957947 37.37315 
1 1 1  -12    1    5 o  383.232   13.133  1837.76  125.681  1863.67  177.652  1811.80  177.827  385.515   18.453  380.087   18.735 5.427979 26.29724 
1 1 1  -12    1    6 o  561.327   17.940  3950.36  251.476  3886.34  355.423  4014.54  355.860  555.578   25.618  564.737   25.234 -9.159302 35.95887 
1 1 1  -12    1    7 o  651.410   19.506  5324.46  317.306  5156.52  448.383  5492.94  449.094  639.366   28.083  660.091   27.245 -20.72443 39.12737 
1 1 1  -12    1    8 o  581.669   18.529  4243.82  269.137  4282.54  380.584  4205.07  380.649  583.002   26.141  577.656   26.388 5.346619 37.14428 
1 1 1  -12    1    9 o  229.188   9.7593  656.710   55.855  687.229   79.060  626.299   78.921  233.916   13.593  223.204   14.233 10.71237 19.68164 
1 1 1  -12    1   10 o  530.362   17.021  3526.77  225.434  3607.63  318.870  3445.96  318.753  535.334   23.853  523.103   24.402 12.23163 34.12311 
1 1 1  -12    1   11 o  644.744   20.181  5222.66  324.928  5360.19  459.672  5085.31  459.363  651.242   28.265  634.120   29.009 17.12219 40.50259 
1 1 1  -12    1   12 o  265.760   10.217  883.379   67.803  919.062   96.133  848.057   95.645  270.479   14.283  259.730   14.808 10.74979 20.57400 
1 1 1  -12    1   13 o  491.915   20.880  3045.10  256.485  2407.27  358.576  3713.33  367.020  433.548   33.377  541.074   27.251 -107.5266 43.08843 
1 1 1  -12    1   14 o  548.891   16.031  3780.95  219.733  3723.12  310.718  3838.81  310.780  543.243   22.905  551.704   22.558 -8.460938 32.14767 
1 1 1  -12    1   15 o  280.978   11.255  988.487   78.972  1042.09  111.829  935.159  111.537  287.709   15.624  272.373   16.476 15.33597 22.70591 
1 1 1  -12    1   16 o  498.983   18.560  3135.07  231.265  3351.35  402.983  3028.86  282.397  510.895   31.744  489.331   23.110 21.56369 39.26513 
1 1 1  -12    1   17 o  174.475   11.343  383.030   49.153  381.524   90.317  383.664   58.589  172.445   21.436  174.334   13.565 -1.888901 25.36740 
1 1 1  -12    1   18 o  539.517   20.463  3681.49  275.691  3563.42  479.215  3739.89  337.054  522.137   36.993  542.117   24.898 -19.97974 44.59091 
1 1 1  -12    1   19 o  258.284   15.377  842.677   98.730   0.0000   0.0000  842.677   98.730  ?   ?   258.284   15.377 0.000000 15.37692 
1 1 1  -12    1   20 o   93.652   15.100  113.195   34.113  130.987   61.696  105.360   40.941   99.338   24.915   89.607   18.892 9.730698 31.26723 
1 1 1  -12    1   21 o  142.710   11.841  257.515   41.818  217.734   79.202  272.891   49.241  128.169   25.641  146.655   13.600 -18.48553 29.02478 
1 1 1  -12    1   22 o  220.320   11.596  611.399   63.573  620.358  117.745  607.713   75.528  219.570   21.761  219.245   13.867 0.3256836 25.80339 
1 1 1  -12    1   23 o  238.403   12.721  717.054   75.458  604.231  136.803  766.391   90.464  215.177   25.986  246.053   14.792 -30.87567 29.90065 
1 1 1  -12    1   24 o  319.203   13.777  1284.08  109.818  1345.49  197.684  1256.67  132.071  322.590   24.728  314.619   16.872 7.970184 29.93541 
1 1 1  -12    1   25 o  239.664   12.880  725.278   76.800  673.483  142.264  746.581   91.237  227.228   25.513  242.660   15.132 -15.43201 29.66239 
1 1 1  -12    1   26 o  421.714   20.826  2271.05  219.315   0.0000   0.0000  2271.05  219.315  ?   ?   421.714   20.826 0.000000 20.82572 
1 1 1  -12    1   27 o  122.321   18.994  194.670   56.138  178.058   94.682  203.675   69.714  114.508   31.917  124.028   23.366 -9.520485 39.55571 
1 1 1  -12    1   28 o  324.837   13.426  1330.84  108.906  1570.22  202.542  1233.49  129.168  348.591   23.403  311.464   16.668 37.12631 28.73185 
1 1 1  -12    1   29 o  121.582   13.558  188.801   40.462  110.004   97.472  205.207   44.475   94.930   33.275  126.660   14.312 -31.72997 36.22273 
1 1 1  -12    1   30 o  259.025   13.439  849.374   86.628  815.993  167.555  861.552  101.204  248.567   27.452  260.252   15.645 -11.68491 31.59699 
1 1 1  -12    1   31 o  110.960   14.812  158.646   40.019   95.465  104.917  169.404   43.292   92.110   34.213  114.551   15.535 -22.44066 37.57470 
1 1 1  -12    1   32 o  251.278   13.692  801.955   85.594  788.853  171.857  806.277   98.707  242.302   28.978  251.252   15.813 -8.950226 33.01133 
1 1 1  -12    1   33 o  287.838   13.582  1051.50   97.627  1056.54  195.827  1049.84  112.620  279.856   28.415  286.384   15.809 -6.527496 32.51703 
1 1 1  -12    1   34 o  296.009   13.888  1116.30  102.659  1215.01  207.510  1084.31  118.127  298.715   28.150  290.195   16.368 8.519562 32.56286 
1 1 1  -12    1   35 o  170.576   12.742  372.596   53.886  271.535  139.499  390.320   58.420  132.730   39.305  174.336   13.525 -41.60625 41.56660 
1 1 1  -12    1   36 f  121.909   25.365  209.101   74.704   0.0000   0.0000  209.101   74.704  ?   ?   121.909   25.365 0.000000 25.36469 
1 1 1  -12    1   37 o  137.814   13.940  247.354   47.313  106.240  143.374  264.600   50.121   93.692   38.399  142.437   14.284 -48.74497 40.97002 
1 1 1  -12    1   38 o   97.135   15.450  125.930   36.221   92.578  141.449  128.270   37.471   89.607   37.557   97.884   15.873 -8.277122 40.77351 
1 1 1  -12    1   39 o  103.002   14.839  141.236   37.068  -8.9663  149.869  151.023   38.257   76.282   34.929  106.601   14.768 -30.31818 37.92260 
1 1 1  -12    1   40 o   68.053   19.410   65.038   34.600  151.461  161.865   60.900   35.419   97.090   40.392   66.005   19.864 31.08508 45.01202 
1 1 1  -12    1   41 o  131.395   23.601  252.958   74.593  291.784  189.206  245.813   81.167  114.986   45.133  127.132   26.429 -12.14614 52.30178 
1 1 1  -12    1   42 o  168.396   13.265  375.647   55.331  319.057  207.679  379.971   57.406  112.159   46.120  169.035   13.718 -56.87608 48.11728 
1 1 1  -12    2    1 o  635.684   19.922  5071.15  316.253  5191.77  447.279  4950.56  447.220  641.638   27.915  626.404   28.590 15.23395 39.95802 
1 1 1  -12    2    2 o  479.115   15.736  2875.20  188.274  2914.72  266.205  2835.66  266.314  481.656   22.132  475.036   22.450 6.619965 31.52531 
1 1 1  -12    2    3 o  333.876   11.967  1394.38   99.774  1431.18  141.135  1357.62  141.068  337.960   16.723  328.677   17.248 9.283203 24.02388 
1 1 1  -12    2    4 o  321.791   11.732  1295.18   94.271  1289.24  133.046  1301.16  133.595  320.336   16.690  321.819   16.681 -1.483002 23.59666 
1 1 1  -12    2    5 o  518.494   16.789  3368.78  217.380  3393.45  307.339  3344.09  307.505  519.463   23.693  515.642   23.881 3.820801 33.63992 
1 1 1  -12    2    6 o  268.041   10.752  898.407   71.965  949.969  101.757  846.812  101.792  275.040   14.871  259.532   15.781 15.50732 21.68373 
1 1 1  -12    2    7 o  405.492   13.554  2057.94  137.249  2001.71  193.830  2114.48  194.370  399.406   19.434  410.552   18.959 -11.14554 27.14961 
1 1 1  -12    2    8 o  466.777   15.000  2728.67  174.849  2678.33  247.061  2779.19  247.488  461.727   21.427  470.389   21.069 -8.661194 30.05061 
1 1 1  -12    2    9 o  601.816   19.085  4545.05  286.815  4468.95  405.365  4621.34  405.871  595.198   27.273  605.357   26.849 -10.15851 38.27114 
1 1 1  -12    2   10 o  449.023   15.049  2525.69  168.748  2493.77  238.435  2557.72  238.857  445.429   21.436  451.137   21.202 -5.707184 30.15008 
1 1 1  -12    2   11 o  260.915   9.8265  851.257   64.025  816.607   90.252  886.359   90.840  254.950   14.233  265.701   13.738 -10.75156 19.78133 
1 1 1  -12    2   12 f  448.176   14.981  2517.18  167.663  2532.05  237.031  2502.28  237.191  448.681   21.155  446.015   21.296 2.666870 30.01767 
1 1 1  -12    2   13 o  630.847   28.290  5040.04  445.657  4994.65  628.794  5085.85  631.723  622.123   40.699  627.894   40.505 -5.770813 57.42016 
1 1 1  -12    2   14 o  971.640   42.961 12213.60  1042.39 12199.27  1472.81 12227.98  1475.52  951.351   62.340  952.424   62.384 -1.072449 88.19257 
1 1 1  -12    2   15 o  306.199   11.880  1174.21   90.841  1167.70  128.381  1180.74  128.556  304.407   16.956  306.120   16.882 -1.713348 23.92735 
1 1 1  -12    2   16 o  541.206   17.459  3683.89  235.961  3731.91  333.745  3635.90  333.653  542.778   24.623  535.650   24.944 7.128540 35.04979 
1 1 1  -12    2   17 o  225.579   12.162  639.701   68.256  579.865  121.956  666.994   82.365  212.740   23.340  230.045   14.410 -17.30467 27.42990 
1 1 1  -12    2   18 o  603.164   22.478  4611.39  338.574  4514.54  589.342  4659.11  413.647  585.834   40.534  604.077   27.421 -18.24274 48.93801 
1 1 1  -12    2   19 o  315.539   24.937  1276.51  194.894  1276.51  194.894   0.0000   0.0000  315.539   24.937  ?   ?  0.000000 24.93727 
1 1 1  -12    2   20 o  229.676   12.501  664.410   71.429  626.728  128.459  681.275   85.940  220.558   23.695  232.162   14.902 -11.60446 27.99148 
1 1 1  -12    2   21 o  252.203   15.839  805.362   99.244  679.309  145.307  915.580  135.873  228.809   25.886  267.771   20.475 -38.96227 33.00486 
1 1 1  -12    2   22 o  411.888   15.869  2141.60  163.220  2272.94  287.105  2078.89  198.399  418.916   27.600  404.642   19.634 14.27390 33.87105 
1 1 1  -12    2   23 o  231.903   11.446  675.533   66.284  779.862  124.550  634.310   78.291  246.772   20.394  223.944   14.071 22.82770 24.77753 
1 1 1  -12    2   24 o  453.966   17.360  2610.44  196.800  2771.69  346.373  2533.57  239.151  460.234   30.308  445.539   21.495 14.69513 37.15617 
1 1 1  -12    2   25 o  226.048   12.713  645.125   71.472  585.482  133.011  669.335   84.746  211.700   25.686  229.810   14.847 -18.11023 29.66835 
1 1 1  -12    2   26 o  300.150   13.863  1135.95  103.909  1075.42  188.536  1162.36  124.529  287.223   26.587  302.561   16.545 -15.33780 31.31479 
1 1 1  -12    2   27 o  120.242   24.147  192.193   69.987   0.0000   0.0000  192.193   69.987  ?   ?   120.242   24.147 0.000000 24.14694 
1 1 1  -12    2   28 o  320.872   14.428  1300.14  115.604  1175.48  210.967  1353.64  138.201  299.046   28.599  326.268   17.021 -27.22217 33.28127 
1 1 1  -12    2   29 f  201.884   12.071  514.907   60.579  564.414  125.937  500.004   69.098  207.698   24.770  198.523   14.028 9.174881 28.46648 
1 1 1  -12    2   30 o  181.640   12.466  417.698   56.203  408.557  122.107  420.156   63.308  174.538   29.036  181.840   14.051 -7.301743 32.25661 
1 1 1  -12    2   31 o  141.939   13.079  256.418   45.835  313.592  113.082  245.178   50.138  151.470   30.942  138.411   14.733 13.05914 34.27015 
1 1 1  -12    2   32 o  145.959   16.344  274.285   58.550  186.175  117.341  303.494   67.562  116.127   36.385  153.150   18.010 -37.02345 40.59853 
1 1 1  -12    2   33 o  371.895   15.397  1760.81  142.992  1955.53  268.240  1683.51  169.008  382.430   28.289  361.500   18.787 20.92953 33.95856 
1 1 1  -12    2   34 o  150.348   13.250  289.177   49.239  241.161  129.443  297.301   53.242  128.273   37.828  152.202   14.171 -23.92903 40.39542 
1 1 1  -12    2   35 o  342.309   14.227  1497.28  121.610  1720.35  241.578  1421.56  140.743  355.257   27.444  331.495   17.060 23.76218 32.31413 
1 1 1  -12    2   36 o  152.636   12.922  299.507   48.790  290.254  140.834  300.769   52.010  136.054   39.269  152.656   13.792 -16.60225 41.62061 
1 1 1  -12    2   37 o  208.505   23.550  596.620  120.468   0.0000   0.0000  596.620  120.468  ?   ?   208.505   23.550 0.000000 23.54958 
1 1 1  -12    2   38 o  180.503   12.979  421.437   58.113  413.658  163.723  422.559   62.161  155.913   41.368  180.280   13.915 -24.36691 43.64559 
1 1 1  -12    2   39 o   89.263   15.114  106.625   32.489  207.417  150.622  101.706   33.272  109.960   40.964   86.830   15.932 23.12994 43.95263 
1 1 1  -12    2   40 o   44.148   16.509   20.786   24.511 -279.1297  165.402   27.520   24.785   59.021   29.297   47.652   16.774 11.36922 33.75941 
1 1 1  -12    2   41 o  123.807   17.820  210.084   53.505  295.626  183.341  202.121   55.940  118.542   44.972  120.554   19.228 -2.011513 48.91056 
1 1 1  -12    2   42 o   74.410   17.137   77.627   31.186 -34.3599  184.309   80.928   31.642   75.701   35.958   76.027   17.083 -0.3262405 39.80963 
1 1 1  -12    3    1 o  312.578   11.613  1222.11   90.650  1197.31  128.042  1247.04  128.356  308.653   16.674  315.052   16.371 -6.399841 23.36763 
1 1 1  -12    3    2 o  872.037   26.729  9583.78  582.067  9407.29  822.852  9760.54  823.484  859.772   38.325  876.058   37.642 -16.28595 53.71923 
1 1 1  -12    3    3 o  573.344   18.268  4122.27  261.547  4088.72  369.676  4155.91  370.091  569.744   25.983  574.442   25.799 -4.697510 36.61605 
1 1 1  -12    3    4 o  682.627   21.277  5852.52  362.705  5818.35  512.731  5886.75  513.155  678.601   30.257  682.618   30.104 -4.017212 42.68156 
1 1 1  -12    3    5 o  484.233   15.774  2937.25  190.747  2818.13  269.354  3057.08  270.161  473.479   22.781  493.266   21.933 -19.78650 31.62303 
1 1 1  -12    3    6 o  776.986   23.918  7594.77  464.085  7354.52  655.913  7835.61  656.719  761.524   34.491  786.401   33.441 -24.87726 48.04156 
1 1 1  -12    3    7 o  483.328   15.901  2926.66  191.924  2945.42  271.298  2907.87  271.545  484.065   22.444  480.946   22.610 3.119385 31.85766 
1 1 1  -12    3    8 o  397.594   12.506  1978.01  124.164  1940.32  175.235  2016.01  175.957  393.354   17.840  400.978   17.573 -7.624237 25.04092 
1 1 1  -12    3    9 o  394.572   13.441  1948.85  132.441  2003.95  187.239  1893.69  187.360  399.630   18.762  388.422   19.316 11.20773 26.92852 
1 1 1  -12    3   10 o  545.327   17.011  3728.85  231.652  3660.40  327.293  3797.56  327.919  539.112   24.311  549.196   23.910 -10.08478 34.09911 
1 1 1  -12    3   11 o  631.830   19.953  5015.20  314.813  5045.96  445.147  4984.41  445.279  631.835   28.213  627.920   28.397 3.915161 40.02971 
1 1 1  -12    3   12 o  452.764   14.875  2568.93  168.186  2513.51  237.592  2624.59  238.110  447.001   21.285  456.836   20.872 -9.835724 29.81096 
1 1 1  -12    3   13 o  232.067   14.778  677.765   85.195  778.245  118.050  568.551  123.074  248.112   19.203  211.031   23.768 37.08086 30.55622 
1 1 1  -12    3   14 o  441.609   21.343  2456.67  235.366  2820.14  331.905  2088.99  333.819  470.751   28.366  403.353   33.443 67.39789 43.85333 
1 1 1  -12    3   15 o  356.056   12.718  1588.39  113.081  1586.64  159.904  1590.14  159.938  354.778   18.109  355.174   18.093 -0.3959656 25.59849 
1 1 1  -12    3   16 o  218.514   10.338  597.695   56.412  637.406   79.882  558.191   79.674  224.950   14.295  210.310   15.275 14.63986 20.92034 
1 1 1  -12    3   17 o  153.918   9.7480  297.721   37.274  305.565   52.740  289.892   52.688  155.456   13.727  151.331   14.105 4.124985 19.68151 
1 1 1  -12    3   18 o  497.716   16.342  3117.36  203.116  3298.61  287.779  2937.43  286.723  510.171   22.589  481.015   23.870 29.15564 32.86381 
1 1 1  -12    3   19 o  212.137   11.851  566.228   62.531  568.657  113.135  565.160   75.034  210.693   21.819  211.571   14.286 -0.8786316 26.07980 
1 1 1  -12    3   20 o  364.780   15.460  1675.90  140.829  1518.93  246.506  1751.96  171.587  342.421   29.104  372.283   18.457 -29.86221 34.46312 
1 1 1  -12    3   21 o  499.222   23.598  3180.85  294.181  3147.21  419.343  3213.45  412.803  489.515   34.526  495.320   33.572 -5.805298 48.15730 
1 1 1  -12    3   22 o  246.511   13.864  767.346   84.998  996.805  129.803  595.093  112.464  279.870   18.680  215.274   21.195 64.59595 28.25234 
1 1 1  -12    3   23 o  216.333   12.425  590.309   66.839  531.699  122.649  615.068   79.717  202.185   24.813  220.427   14.564 -18.24252 28.77148 
1 1 1  -12    3   24 o  416.695   15.601  2192.86  162.340  2459.03  287.576  2068.36  196.675  435.876   26.547  403.401   19.524 32.47559 32.95317 
1 1 1  -12    3   25 f   73.938   15.325   71.538   27.366   8.1312   69.321   83.245   29.786   62.031   26.160   79.863   15.494 -17.83199 30.40452 
1 1 1  -12    3   26 f  461.946   18.309  2709.39  211.202  2662.08  371.142  2732.05  256.845  448.296   33.393  462.043   22.261 -13.74692 40.13231 
1 1 1  -12    3   27 o  139.030   12.029  244.921   41.352  199.102   90.823  256.903   46.446  121.169   30.140  142.203   13.231 -21.03378 32.91668 
1 1 1  -12    3   28 o  411.638   30.067  2227.49  306.933   0.0000   0.0000  2227.49  306.933  ?   ?   411.638   30.067 0.000000 30.06718 
1 1 1  -12    3   29 o  353.583   14.741  1579.82  130.156  1660.27  237.288  1545.20  155.664  356.707   26.835  348.247   17.961 8.459961 32.29137 
1 1 1  -12    3   30 o  159.909   13.051  324.520   51.659  303.532  115.327  329.789   57.780  149.030   31.949  160.900   14.537 -11.87061 35.10061 
1 1 1  -12    3   31 o  447.925   16.429  2547.23  183.769  2915.56  334.146  2387.52  220.033  470.685   28.564  431.721   20.410 38.96347 35.10607 
1 1 1  -12    3   32 o  219.401   12.737  609.688   69.483  594.340  146.858  614.114   78.868  210.739   28.649  219.754   14.453 -9.014832 32.08793 
1 1 1  -12    3   33 f  251.797   17.190  813.319  107.439  723.700  173.767  868.782  136.701  230.730   30.938  258.437   21.374 -27.70729 37.60314 
1 1 1  -12    3   34 o  265.358   13.120  893.017   86.937  1053.94  181.053  844.796   99.110  280.940   26.106  256.865   15.524 24.07489 30.37286 
1 1 1  -12    3   35 o  225.647   12.890  649.102   72.329  711.527  163.161  633.834   80.691  226.980   29.482  222.318   14.616 4.662186 32.90618 
1 1 1  -12    3   36 o  112.353   14.644  164.391   40.110  127.172  126.680  168.538   42.286   98.880   37.414  113.575   15.299 -14.69421 40.42091 
1 1 1  -12    3   37 o  184.599   12.648  437.597   57.951  612.911  156.201  409.615   62.405  205.483   31.441  177.948   14.161 27.53491 34.48259 
1 1 1  -12    3   38 o   91.458   27.443  121.231   67.673   0.0000   0.0000  121.231   67.673  ?   ?    91.458   27.443 0.000000 27.44273 
1 1 1  -12    3   39 o   68.583   17.094   64.388   29.171   56.377  140.352   64.750   29.822   84.062   36.374   68.720   17.370 15.34122 40.30835 
1 1 1  -12    3   40 o   70.291   17.224   68.053   29.995   0.0000   0.0000   68.053   29.995  ?   ?    70.291   17.224 0.000000 17.22352 
1 1 1  -12    3   41 o  139.068   13.609  254.312   46.655  379.805  179.153  245.182   48.323  137.373   45.146  136.102   14.438 1.270630 47.39880 
1 1 1  -12    3   42 o   98.653   18.801  136.505   44.625  143.220  183.879  136.085   46.001   94.394   41.230   98.131   19.459 -3.737206 45.59156 
1 1 1  -12    3   43 o   84.141   16.333   98.302   33.080  204.777  201.159   95.343   33.536   98.388   43.045   82.591   16.831 15.79718 46.21918 
1 1 1  -12    4    1 o  193.048   9.4819  465.899   45.710  477.906   64.154  453.518   65.145  194.957   13.256  189.833   13.838 5.124634 19.16269 
1 1 1  -12    4    2 o  433.615   16.343  2356.17  176.970  2185.71  215.971  2704.52  308.739  417.174   20.731  462.385   26.854 -45.21039 33.92543 
1 1 1  -12    4    3 o  261.174   10.305  852.909   67.210  850.570   94.674  855.286   95.429  260.218   14.629  260.932   14.705 -0.7145386 20.74243 
1 1 1  -12    4    4 o   89.774   10.159  102.055   22.373   96.290   30.826  108.472   32.524   86.485   14.806   91.943   14.658 -5.458611 20.83394 
1 1 1  -12    4    5 o  211.857   9.7488  561.131   51.576  588.675   72.718  533.250   73.162  216.448   13.521  205.881   14.320 10.56691 19.69466 
1 1 1  -12    4    6 o  1107.16   33.727 15541.94  932.469 15427.81  1318.47 15656.16  1318.95  1094.40   48.244  1102.71   47.898 -8.311157 67.98312 
1 1 1  -12    4    7 o  937.290   28.646 11093.12  670.485 10839.32  947.761 11347.40  948.658  921.015   41.208  942.827   40.293 -21.81232 57.63335 
1 1 1  -12    4    8 o  480.427   15.828  2892.04  189.891  2878.14  268.278  2906.00  268.815  478.420   22.456  480.739   22.392 -2.319519 31.71206 
1 1 1  -12    4    9 o  486.054   15.906  2960.59  193.058  2928.43  272.836  2992.83  273.214  482.504   22.644  487.815   22.428 -5.311066 31.87119 
1 1 1  -12    4   10 o  279.121   10.889  974.492   75.901  946.651  106.948  1002.75  107.738  274.400   15.673  282.479   15.331 -8.079071 21.92397 
1 1 1  -12    4   11 o  104.394   9.8938  137.504   25.485  136.907   35.313  138.153   36.815  103.620   14.006  104.012   14.574 -0.3913193 20.21314 
1 1 1  -12    4   12 o  533.757   17.312  3575.20  230.753  3616.01  326.306  3534.38  326.362  535.466   24.403  529.325   24.690 6.140564 34.71476 
1 1 1  -12    4   13 o  247.453   15.295  770.704   94.050  929.736  130.910  601.062  135.207  271.262   19.455  216.695   25.472 54.56715 32.05190 
1 1 1  -12    4   14 o  430.113   20.117  2328.31  216.075  2141.54  302.969  2521.65  308.251  409.535   29.830  445.167   27.869 -35.63168 40.82303 
1 1 1  -12    4   15 o  361.846   12.666  1640.46  114.451  1687.15  161.918  1593.85  161.800  366.358   17.699  355.545   18.285 10.81332 25.44791 
1 1 1  -12    4   16 o  499.443   16.524  3134.72  206.082  3256.53  291.595  3013.16  291.294  507.522   23.008  487.948   23.906 19.57361 33.17912 
1 1 1  -12    4   17 o  259.092   15.017  845.900   96.743   0.0000   0.0000  845.900   96.743  ?   ?   259.092   15.017 0.000000 15.01700 
1 1 1  -12    4   18 o  660.615   30.162  5593.93  497.578  5593.93  497.578   0.0000   0.0000  660.615   30.162  ?   ?  0.000000 30.16213 
1 1 1  -12    4   19 o  196.037   10.150  482.725   49.519  490.465   70.292  475.099   69.770  197.018   14.387  193.870   14.517 3.148087 20.43813 
1 1 1  -12    4   20 o  257.846   12.844  835.042   82.702  752.955  147.385  872.766   99.914  241.743   24.764  262.851   15.288 -21.10822 29.10288 
1 1 1  -12    4   21 o  313.245   13.533  1233.95  105.858  1309.25  188.251  1199.13  128.015  319.473   23.767  307.778   16.719 11.69528 29.05820 
1 1 1  -12    4   22 o  251.305   13.746  797.135   85.935  1072.56  131.552  592.120  113.499  290.514   18.226  214.688   21.458 75.82585 28.15359 
1 1 1  -12    4   23 o  334.257   14.582  1408.21  121.714  1419.09  215.615  1403.12  147.455  331.131   26.292  332.427   17.828 -1.295502 31.76601 
1 1 1  -12    4   24 o  327.356   13.774  1349.79  112.601  1446.38  201.643  1306.02  135.736  335.002   24.268  320.842   17.002 14.16019 29.63144 
1 1 1  -12    4   25 f  123.829   12.349  194.729   37.676  208.320   81.333  191.016   42.512  124.782   26.894  122.301   14.183 2.480614 30.40479 
1 1 1  -12    4   26 o  565.757   21.412  4087.25  302.505  4146.06  528.749  4058.63  368.830  555.323   38.364  560.583   26.347 -5.259827 46.54010 
1 1 1  -12    4   27 o  174.212   11.675  383.243   50.498  450.725  104.966  362.921   57.602  186.199   23.069  169.135   13.757 17.06398 26.85937 
1 1 1  -12    4   28 o  367.425   15.948  1708.01  146.329  1536.33  262.202  1785.67  176.344  341.051   31.130  374.232   18.931 -33.18149 36.43457 
1 1 1  -12    4   29 o  274.747   23.972  978.483  162.826   0.0000   0.0000  978.483  162.826  ?   ?   274.747   23.972 0.000000 23.97240 
1 1 1  -12    4   30 o  190.557   12.071  458.923   57.144  485.963  122.598  451.418   64.589  191.999   26.258  188.635   13.807 3.363815 29.66732 
1 1 1  -12    4   31 o  425.841   16.929  2303.29  180.021  2418.30  324.778  2252.28  216.288  427.262   30.643  419.365   20.653 7.896515 36.95365 
1 1 1  -12    4   32 o  172.974   13.646  380.407   58.463  246.721  129.281  414.775   65.549  132.472   37.427  180.418   14.676 -47.94615 40.20176 
1 1 1  -12    4   33 o  273.279   13.425  944.896   91.617  1058.06  184.105  907.647  105.624  282.884   26.366  266.675   15.934 16.20905 30.80639 
1 1 1  -12    4   34 o  178.250   15.548  407.831   68.514  503.660  137.137  375.956   79.092  192.042   29.543  169.962   18.958 22.07965 35.10277 
1 1 1  -12    4   35 o  136.682   13.971  240.184   47.016  179.535  125.330  250.117   50.721  112.571   37.786  139.263   14.812 -26.69206 40.58546 
1 1 1  -12    4   36 o  159.792   12.610  326.758   49.911  493.469  140.128  302.536   53.414  186.587   31.174  153.244   14.117 33.34288 34.22118 
1 1 1  -12    4   37 f  125.470   13.923  204.184   42.887  292.129  141.605  195.302   45.001  136.018   39.410  122.299   15.053 13.71890 42.18713 
1 1 1  -12    4   38 o  179.020   12.881  412.980   57.200  501.713  159.626  399.907   61.269  179.684   36.813  175.618   14.090 4.065674 39.41673 
1 1 1  -12    4   39 o   85.675   27.945  105.555   68.689   0.0000   0.0000  105.555   68.689  ?   ?    85.675   27.945 0.000000 27.94485 
1 1 1  -12    4   40 o  171.806   43.316  524.856  185.795  524.856  185.795   0.0000   0.0000  171.806   43.316  ?   ?  0.000000 43.31639 
1 1 1  -12    4   41 o  139.710   13.841  256.471   47.653  165.302  173.087  263.949   49.569  100.920   41.858  141.561   14.214 -40.64183 44.20598 
1 1 1  -12    4   42 o   90.629   16.543  112.478   36.061   99.961  182.303  112.988   36.788   90.485   40.222   90.691   16.865 -0.2058792 43.61452 
1 1 1  -12    4   43 o  106.088   18.665  158.015   47.643  100.835  198.331  161.517   49.080   88.939   40.516  107.040   19.060 -18.10136 44.77515 
1 1 1  -12    5    1 o  232.726   10.052  677.256   58.419  698.559   82.215  655.532   83.025  235.778   14.027  228.309   14.640 7.469543 20.27494 
1 1 1  -12    5    2 o  165.404   9.2059  343.074   37.874  365.614   53.013  319.576   54.128  170.469   12.542  159.179   13.752 11.28995 18.61213 
1 1 1  -12    5    3 o  505.145   16.218  3197.98  204.585  3152.86  289.037  3243.28  289.618  500.607   23.121  507.780   22.840 -7.173615 32.50004 
1 1 1  -12    5    4 o  155.906   9.1000  304.879   35.275  312.793   49.446  296.677   50.338  157.593   12.672  153.385   13.273 4.207413 18.35036 
1 1 1  -12    5    5 o  319.361   11.820  1275.97   94.263  1290.67  133.217  1261.24  133.398  320.449   16.705  316.738   16.927 3.711212 23.78205 
1 1 1  -12    5    6 o  521.278   16.897  3406.58  219.956  3378.05  310.830  3435.19  311.300  518.022   24.028  522.415   23.862 -4.392517 33.86407 
1 1 1  -12    5    7 o  599.362   18.990  4508.62  284.222  4398.66  401.585  4618.99  402.317  590.400   27.238  605.149   26.623 -14.74902 38.08815 
1 1 1  -12    5    8 o  446.574   14.913  2498.16  166.305  2381.45  234.743  2615.76  235.642  435.243   21.598  456.281   20.681 -21.03778 29.90261 
1 1 1  -12    5    9 o  258.388   10.231  834.931   66.014  811.604   92.778  858.849   93.947  254.122   14.683  261.464   14.445 -7.342422 20.59695 
1 1 1  -12    5   10 o  169.540   9.2420  360.439   38.981  343.765   54.554  377.832   55.718  165.164   13.341  173.246   12.973 -8.081543 18.60865 
1 1 1  -12    5   11 o  417.327   14.131  2181.71  147.267  2171.44  208.050  2192.02  208.483  415.656   20.044  417.629   19.991 -1.972382 28.30886 
1 1 1  -12    5   12 o  485.492   15.975  2956.09  193.675  3009.12  273.963  2903.11  273.834  488.772   22.446  480.009   22.845 8.762634 32.02650 
1 1 1  -12    5   13 o  543.568   25.017  3732.38  339.576  3863.62  478.893  3599.65  481.583  548.927   35.120  529.142   36.672 19.78516 50.77659 
1 1 1  -12    5   14 o  387.019   19.544  1889.31  188.271  2130.63  264.798  1642.59  267.736  409.503   26.030  358.216   30.212 51.28729 39.87889 
1 1 1  -12    5   15 o  469.101   15.426  2761.98  180.702  2724.19  255.355  2799.89  255.748  464.630   22.008  471.101   21.739 -6.471802 30.93490 
1 1 1  -12    5   16 o  255.450   10.734  817.023   68.476  969.862   97.439  667.889   96.251  277.689   14.098  229.888   16.884 47.80089 21.99618 
1 1 1  -12    5   17 f  440.244   17.026  2438.54  187.179  2383.54  228.353  2551.17  326.775  434.376   21.052  445.998   29.507 -11.62173 36.24704 
1 1 1  -12    5   18 o  427.735   14.646  2298.77  156.437  2511.81  221.677  2087.43  220.796  445.935   19.907  405.472   21.887 40.46286 29.58587 
1 1 1  -12    5   19 o  199.491   10.313  499.935   51.198  518.505   72.628  481.592   72.184  202.592   14.451  195.130   14.927 7.461334 20.77582 
1 1 1  -12    5   20 o  296.569   11.322  1103.21   83.851  1165.62  118.951  1041.57  118.218  303.802   15.733  286.955   16.568 16.84717 22.84810 
1 1 1  -12    5   21 o  287.455   13.050  1038.55   93.673  1069.28  167.005  1024.45  113.147  288.703   23.365  284.593   15.986 4.110901 28.31020 
1 1 1  -12    5   22 o  213.421   13.838  575.609   73.355  696.292  113.016  487.756   96.426  233.510   19.562  195.032   20.086 38.47794 28.03756 
1 1 1  -12    5   23 o  116.987   14.228  174.875   40.710  246.573   74.479  144.328   48.614  137.338   22.496  105.088   19.234 32.25023 29.59727 
1 1 1  -12    5   24 o  326.637   14.157  1344.39  115.477  1431.84  206.024  1304.33  139.440  333.063   24.952  320.512   17.488 12.55133 30.47023 
1 1 1  -12    5   25 o  307.445   13.882  1191.00  106.581  1236.63  191.339  1170.47  128.335  309.240   24.991  303.645   16.993 5.595123 30.22123 
1 1 1  -12    5   26 o  280.766   13.125  992.553   92.021  1108.10  169.412  944.193  109.599  293.174   23.333  272.795   16.161 20.37964 28.38326 
1 1 1  -12    5   27 o  284.843   13.845  1022.77   98.480  984.356  179.894  1039.21  117.679  274.835   26.542  286.086   16.543 -11.25043 31.27512 
1 1 1  -12    5   28 o  222.755   12.419  626.353   68.808  665.323  134.277  612.476   80.127  226.311   24.132  219.791   14.683 6.519989 28.24831 
1 1 1  -12    5   29 o  350.169   18.847  1564.19  164.197   0.0000   0.0000  1564.19  164.197  ?   ?   350.169   18.847 0.000000 18.84681 
1 1 1  -12    5   30 o  134.556   19.721  235.486   64.297  212.259  105.758  249.105   80.982  124.392   33.360  137.084   24.559 -12.69212 41.42464 
1 1 1  -12    5   31 o  218.815   13.212  606.076   71.854  601.621  145.489  607.513   82.635  213.089   28.021  218.588   15.234 -5.499283 31.89423 
1 1 1  -12    5   32 o  173.903   12.813  383.539   55.253  486.173  129.014  360.486   61.144  190.973   27.874  168.148   14.710 22.82492 31.51730 
1 1 1  -12    5   33 o  258.888   13.783  850.416   88.784  794.597  176.380  869.359  102.751  243.356   29.636  261.104   15.834 -17.74840 33.60040 
1 1 1  -12    5   34 o   83.354   16.957   91.828   34.094  102.151  112.012   90.774   35.792   94.188   35.278   82.682   17.857 11.50610 39.54056 
1 1 1  -12    5   35 o  282.841   17.131  1030.41  120.427  1152.69  198.123  958.762  151.661  292.440   27.451  269.682   22.732 22.75812 35.64142 
1 1 1  -12    5   36 o  108.722   14.608  153.630   38.656  161.738  124.937  152.771   40.651  107.429   37.672  108.153   15.494 -0.7235336 40.73359 
1 1 1  -12    5   37 o  341.240   15.246  1498.92  129.919  1462.58  254.184  1511.77  151.155  319.843   32.265  340.413   17.844 -20.57007 36.87060 
1 1 1  -12    5   38 o  198.105   13.339  505.645   65.602  505.091  167.116  505.746   71.328  179.568   38.429  197.544   14.562 -17.97595 41.09539 
1 1 1  -12    5   39 o   63.395   18.048   54.563   29.945   0.0000   0.0000   54.563   29.945  ?   ?    63.395   18.048 0.000000 18.04828 
1 1 1  -12    5   40 o  115.660   28.192  199.342   80.684   0.0000   0.0000  199.342   80.684  ?   ?   115.660   28.192 0.000000 28.19188 
1 1 1  -12    5   41 o  198.484   13.385  513.012   65.953  598.381  195.252  502.017   70.072  182.552   43.457  195.680   14.442 -13.12877 45.79403 
1 1 1  -12    5   42 o  146.520   14.074  283.131   50.862  230.756  188.848  287.228   52.814  109.177   44.329  147.322   14.546 -38.14466 46.65471 
1 1 1  -12    5   43 o   94.504   16.115  122.086   36.667  -2.8316  196.629  126.586   37.322   80.727   37.981   96.278   16.091 -15.55161 41.24881 
1 1 1  -12    6    1 o  518.854   16.690  3376.20  216.245  3296.38  305.418  3456.44  306.218  511.499   23.911  523.868   23.408 -12.36932 33.46128 
1 1 1  -12    6    2 o  199.309   9.7020  496.714   48.288  521.768   67.892  471.066   68.694  203.699   13.422  193.403   14.325 10.29601 19.63075 
1 1 1  -12    6    3 o  454.401   14.948  2586.88  169.623  2619.31  239.656  2554.32  240.110  456.484   21.024  450.741   21.332 5.743652 29.95096 
1 1 1  -12    6    4 o  857.927   26.329  9286.15  564.078  9365.73  797.735  9206.56  797.718  857.159   37.269  849.690   37.596 7.468384 52.93777 
1 1 1  -12    6    5 o  308.020   11.527  1186.98   88.666  1188.32  124.970  1185.63  125.818  307.456   16.336  307.090   16.467 0.3658447 23.19503 
1 1 1  -12    6    6 o  174.319   9.3918  381.017   40.733  425.749   56.964  334.215   58.268  184.022   12.469  162.711   14.492 21.31044 19.11821 
1 1 1  -12    6    7 o  246.955   10.468  762.745   64.556  763.004   90.800  762.481   91.801  246.349   14.829  246.245   15.000 0.1045227 21.09306 
1 1 1  -12    6    8 o  344.909   12.229  1488.79  105.330  1488.59  148.575  1488.99  149.347  344.053   17.349  344.086   17.438 -0.3314209E-01 24.59819 
1 1 1  -12    6    9 o  594.486   18.886  4437.73  280.365  4438.88  396.306  4436.58  396.686  592.878   26.768  592.716   26.801 0.1624756 37.87891 
1 1 1  -12    6   10 f  554.380   17.681  3857.17  244.780  3771.97  345.801  3942.74  346.543  546.750   25.327  559.105   24.821 -12.35559 35.46172 
1 1 1  -12    6   11 o  249.928   10.717  781.471   66.888  808.018   94.365  754.665   94.825  253.460   14.976  244.843   15.590 8.616974 21.61762 
1 1 1  -12    6   12 o  607.364   27.496  4669.76  417.029  4770.10  588.470  4568.54  591.075  608.560   38.927  595.000   40.014 13.56000 55.82470 
1 1 1  -12    6   13 o  251.246   14.349  793.886   89.651  680.858  122.882  922.510  131.086  231.505   21.501  270.116   19.566 -38.61090 29.07146 
1 1 1  -12    6   14 o  377.124   19.199  1794.02  180.204  2002.95  253.246  1579.71  256.480  396.992   25.683  351.334   29.507 45.65762 39.11854 
1 1 1  -12    6   15 o  657.898   20.789  5457.22  341.535  5348.00  482.674  5566.73  483.334  647.961   29.830  661.323   29.267 -13.36224 41.79012 
1 1 1  -12    6   16 o  445.453   17.215  2495.71  191.492  3174.97  332.509  2158.62  234.236  499.185   26.772  412.540   22.826 86.64551 35.18172 
1 1 1  -12    6   17 o  692.162   21.887  6059.34  378.301  5997.62  534.367  6121.36  535.631  684.083   31.281  691.246   31.030 -7.163574 44.06090 
1 1 1  -12    6   18 o  111.832   9.9178  157.833   27.410  167.616   39.144  148.422   38.393  114.700   13.954  107.713   14.654 6.986717 20.23474 
1 1 1  -12    6   19 o  307.227   12.134  1184.22   93.095  1279.20  131.960  1090.11  131.355  318.209   16.664  293.383   18.016 24.82611 24.54174 
1 1 1  -12    6   20 o  424.933   14.106  2270.68  149.680  2295.05  211.780  2246.35  211.580  425.708   19.922  421.108   20.120 4.600098 28.31411 
1 1 1  -12    6   21 o  398.345   13.025  1994.34  129.563  1985.96  183.395  2002.69  183.066  396.176   18.537  397.872   18.425 -1.696777 26.13663 
1 1 1  -12    6   22 o  221.745   12.016  619.414   66.290  629.557  121.235  615.089   79.174  221.235   22.246  220.533   14.457 0.7015839 26.53065 
1 1 1  -12    6   23 o  226.161   14.097  646.623   79.219  776.176  121.830  551.722  104.272  246.419   19.970  207.385   20.398 39.03502 28.54646 
1 1 1  -12    6   24 o  317.927   14.143  1273.54  112.285  1309.19  200.333  1257.21  135.584  318.238   25.421  314.718   17.319 3.519440 30.75957 
1 1 1  -12    6   25 f  281.710   13.526  999.420   95.154  989.112  172.290  1003.94  114.140  276.295   25.250  281.347   16.316 -5.051605 30.06298 
1 1 1  -12    6   26 o  328.578   14.401  1361.57  118.160  1417.44  212.241  1336.48  142.242  330.681   25.909  324.276   17.632 6.404633 31.33977 
1 1 1  -12    6   27 o  218.171   13.031  601.394   70.668  644.463  135.273  585.228   82.876  222.591   24.755  214.669   15.566 7.922791 29.24255 
1 1 1  -12    6   28 o  257.342   13.031  836.093   83.468  784.244  156.445  856.725   98.688  245.238   25.940  259.977   15.268 -14.73904 30.09961 
1 1 1  -12    6   29 o  113.313   13.989  164.335   38.743   67.221   92.342  185.082   42.681   83.300   31.841  120.247   14.507 -36.94782 34.99017 
1 1 1  -12    6   30 o  147.375   25.039  287.419   88.852   0.0000   0.0000  287.419   88.852  ?   ?   147.375   25.039 0.000000 25.03907 
1 1 1  -12    6   31 o  471.097   18.343  2824.63  215.790  3000.06  385.571  2744.62  260.389  474.867   32.714  462.133   22.563 12.73392 39.74088 
1 1 1  -12    6   32 o  222.608   12.625  626.774   69.892  808.943  149.486  575.810   79.067  248.952   24.357  212.772   14.976 36.18015 28.59332 
1 1 1  -12    6   33 o  260.670   13.676  861.541   88.711  847.135  178.392  866.274  102.249  252.023   28.866  260.732   15.778 -8.709335 32.89705 
1 1 1  -12    6   34 o  110.225   14.950  157.011   40.088  223.853  119.354  148.511   42.561  125.674   36.115  106.761   16.496 18.91354 39.70404 
1 1 1  -12    6   35 o  259.721   16.474  866.387  106.292  1029.74  182.018  781.853  130.937  277.288   26.613  244.181   21.699 33.10680 34.33862 
1 1 1  -12    6   36 o   72.698   17.487   70.772   31.359  157.735  117.541   64.108   32.538  106.390   36.583   69.180   18.483 37.20950 40.98689 
1 1 1  -12    6   37 o  198.117   13.544  503.621   66.605  542.151  161.718  495.750   73.092  192.230   34.978  195.941   15.053 -3.711578 38.07920 
1 1 1  -12    6   38 o  194.141   13.042  484.462   62.862  515.800  161.788  478.890   68.222  184.090   36.483  192.466   14.297 -8.375839 39.18427 
1 1 1  -12    6   39 o   97.051   27.884  137.351   71.156   35.350  145.338  169.509   81.605   83.491   36.557  106.892   29.573 -23.40178 47.02081 
1 1 1  -12    6   40 o  156.065   13.447  316.554   51.896  268.907  175.331  321.129   54.330  122.475   44.436  156.936   14.011 -34.46099 46.59238 
1 1 1  -12    6   41 o  104.296   27.431  162.508   72.398 -51.6149  167.141  211.961   80.324   75.907   35.490  119.393   27.507 -43.48559 44.90165 
1 1 1  -12    6   42 o   55.533   17.614   41.234   27.421   46.019  178.602   41.118   27.750   85.979   38.882   55.517   17.731 30.46247 42.73437 
1 1 1  -12    6   43 o   44.271   16.527   21.412   24.544  187.841  190.447   18.601   24.751  101.218   43.055   43.018   16.475 58.19972 46.09978 
1 1 1  -12    6   44 o  107.608   15.699  157.674   40.943  236.727  219.506  154.825   41.675  102.952   45.006  106.335   16.207 -3.383240 47.83501 
1 1 1  -12    7    1 o  186.158   13.917  436.581   64.230  485.363   88.243  381.612   93.671  195.750   18.263  172.684   22.239 23.06573 28.77690 
1 1 1  -12    7    2 o  173.265   13.741  378.384   58.964  408.831   80.513  343.163   86.595  179.537   18.210  163.729   21.715 15.80771 28.34018 
1 1 1  -12    7    3 o  549.418   17.517  3788.29  240.329  3765.33  339.620  3811.33  340.135  546.334   24.893  549.687   24.779 -3.353088 35.12384 
1 1 1  -12    7    4 o  342.724   12.253  1470.20  104.866  1580.31  148.205  1359.81  148.401  354.949   16.720  328.630   18.154 26.31903 24.68055 
1 1 1  -12    7    5 o  677.829   20.932  5777.59  354.315  5566.64  500.435  5989.63  501.722  662.795   30.236  687.852   29.209 -25.05688 42.03999 
1 1 1  -12    7    6 o  278.271   10.878  968.704   75.592  991.715  106.611  945.439  107.197  280.885   15.257  274.177   15.722 6.708588 21.90793 
1 1 1  -12    7    7 o  730.162   22.609  6712.48  412.241  6684.17  582.734  6740.85  583.261  725.540   32.163  728.651   32.055 -3.110596 45.40899 
1 1 1  -12    7    8 o  360.751   12.912  1629.44  116.321  1666.31  164.268  1592.36  164.739  364.328   18.056  355.614   18.616 8.714203 25.93348 
1 1 1  -12    7    9 o  692.079   21.610  6028.15  373.469  6225.18  528.373  5831.44  527.956  700.660   30.198  677.791   31.193 22.86823 43.41563 
1 1 1  -12    7   10 o  249.214   12.203  777.512   75.942  831.659  129.086  748.852   93.913  256.362   20.331  243.895   15.500 12.46666 25.56548 
1 1 1  -12    7   11 o  436.284   21.119  2396.20  230.086  2656.92  324.195  2131.60  326.600  457.015   28.550  408.062   32.315 48.95279 43.12042 
1 1 1  -12    7   12 o  216.243   14.024  588.522   75.319  559.038  102.758  622.752  110.720  209.883   19.841  221.550   20.236 -11.66724 28.34046 
1 1 1  -12    7   13 f  277.289   15.611  967.860  107.660  954.624  149.160  982.254  155.549  274.297   21.960  278.135   22.591 -3.838531 31.50552 
1 1 1  -12    7   14 o  300.907   13.677  1135.19  102.773  1191.02  125.242  1020.10  179.827  307.517   16.368  282.657   25.760 24.86002 30.52003 
1 1 1  -12    7   15 o  416.724   20.135  2189.11  209.530   0.0000   0.0000  2189.11  209.530  ?   ?   416.724   20.135 0.000000 20.13481 
1 1 1  -12    7   16 o  654.106   29.461  5461.06  481.215  5461.06  481.215   0.0000   0.0000  654.106   29.461  ?   ?  0.000000 29.46053 
1 1 1  -12    7   17 o  321.810   12.416  1298.63   99.774  1314.14  140.926  1283.05  141.278  322.569   17.561  318.665   17.825 3.903595 25.02266 
1 1 1  -12    7   18 o  400.519   13.134  2013.51  131.361  1931.69  185.293  2096.18  186.254  391.183   18.968  407.653   18.296 -16.46967 26.35440 
1 1 1  -12    7   19 o  253.932   10.853  808.284   68.821  805.518   97.022  811.084   97.635  252.525   15.460  253.391   15.504 -0.8657684 21.89528 
1 1 1  -12    7   20 o  306.471   11.509  1178.39   88.078  1224.20  124.893  1133.07  124.230  311.248   16.124  299.277   16.689 11.97079 23.20587 
1 1 1  -12    7   21 o  135.226   9.3455  230.184   31.365  217.014   43.887  243.932   44.840  130.663   13.652  138.702   13.101 -8.038681 18.92138 
1 1 1  -12    7   22 o  156.877   10.041  309.824   39.129  338.697   55.724  281.740   54.958  163.487   13.778  148.786   14.996 14.70134 20.36443 
1 1 1  -12    7   23 o   88.124   17.546  101.630   37.254 -15.7009   67.988  151.975   44.536   56.558   24.877  108.385   17.015 -51.82730 30.13966 
1 1 1  -12    7   24 o  266.382   15.735  898.969  104.206  927.619  155.205  875.453  140.613  268.310   23.398  261.154   21.759 7.155670 31.95249 
1 1 1  -12    7   25 o  296.977   13.274  1110.29   98.444  1208.64  177.596  1066.67  118.278  306.401   23.388  290.016   16.399 16.38477 28.56400 
1 1 1  -12    7   26 o  166.647   12.474  351.256   51.534  396.341  102.942  336.179   59.531  174.166   24.333  162.576   14.826 11.59035 28.49460 
1 1 1  -12    7   27 f  224.834   12.914  638.390   72.199  566.607  135.546  666.824   85.309  207.882   26.730  229.362   14.977 -21.48048 30.63966 
1 1 1  -12    7   28 o  146.928   13.253  274.075   48.101  240.698  102.039  283.611   54.542  133.113   31.234  149.176   14.838 -16.06279 34.57984 
1 1 1  -12    7   29 o  143.590   13.502  262.098   47.847  194.277  104.719  279.992   53.790  119.468   33.661  148.210   14.729 -28.74200 36.74186 
1 1 1  -12    7   30 o  231.236   13.706  676.687   78.793  542.466  154.403  723.947   91.620  200.958   31.829  238.779   15.448 -37.82092 35.37949 
1 1 1  -12    7   31 o  403.951   30.254  2152.91  302.966   0.0000   0.0000  2152.91  302.966  ?   ?   403.951   30.254 0.000000 30.25384 
1 1 1  -12    7   32 o  467.196   17.895  2778.25  208.777  2834.65  374.426  2752.80  251.503  460.785   32.753  462.950   21.755 -2.164734 39.31995 
1 1 1  -12    7   33 o  256.021   14.111  831.712   89.870  694.727  177.850  878.682  104.144  226.289   32.398  262.597   15.957 -36.30806 36.11441 
1 1 1  -12    7   34 o  282.935   13.693  1013.74   96.744  1196.86  195.795  954.597  111.277  300.828   26.329  273.274   16.382 27.55481 31.00899 
1 1 1  -12    7   35 o   72.354   17.681   69.766   31.675   67.101  117.095   69.976   32.901   87.422   35.112   72.424   18.211 14.99791 39.55363 
1 1 1  -12    7   36 o   86.409   18.449   99.900   38.598  151.556  125.936   94.545   40.549  105.841   37.752   83.756   19.715 22.08480 42.58969 
1 1 1  -12    7   37 o  311.008   13.902  1236.06  107.972  1517.42  224.214  1151.12  123.197  333.164   27.187  298.262   16.606 34.90204 31.85735 
1 1 1  -12    7   38 o   90.748   17.268  110.315   37.703   0.0000   0.0000  110.315   37.703  ?   ?    90.748   17.268 0.000000 17.26847 
1 1 1  -12    7   39 o   69.375   17.664   65.486   30.683  149.094  143.101   61.457   31.414  102.142   39.485   67.209   18.248 34.93333 43.49761 
1 1 1  -12    7   40 o  147.767   14.365  285.214   52.336   18.883  158.189  317.949   55.459   82.998   37.140  156.070   14.392 -73.07237 39.83092 
1 1 1  -12    7   41 o  108.971   15.170  157.593   40.162   0.0000   0.0000  157.593   40.162  ?   ?   108.971   15.170 0.000000 15.17032 
1 1 1  -12    7   42 o   93.944   16.033  119.149   36.264  347.667  181.973  109.699   37.006  132.826   45.526   89.592   17.166 43.23398 48.65486 
1 1 1  -12    7   43 o   60.713   18.117   50.867   29.554  166.918  189.847   47.984   29.919   99.604   42.693   59.211   18.344 40.39330 46.46675 
1 1 1  -12    7   44 o  112.251   16.050  171.417   43.710  140.804  212.917  172.764   44.661   94.278   42.561  112.516   16.376 -18.23854 45.60257 
1 1 1  -12    8    1 o  100.387   10.599  127.508   26.169  131.790   35.901  122.654   38.224  101.498   14.583   97.567   16.261 3.931396 21.84239 
1 1 1  -12    8    2 o  571.718   18.166  4107.16  259.353  4112.67  366.562  4101.63  367.000  570.287   25.740  569.503   25.806 0.7842407 36.44830 
1 1 1  -12    8    3 o  334.799   17.606  1411.49  146.682  1540.64  206.119  1278.97  208.788  348.638   23.818  316.881   26.632 31.75629 35.72876 
1 1 1  -12    8    4 o  173.020   13.761  377.422   58.966  404.867   80.452  345.563   86.678  178.609   18.296  164.276   21.657 14.33263 28.35095 
1 1 1  -12    8    5 o  509.587   23.619  3275.00  300.563  3337.86  423.962  3211.49  426.168  510.888   33.416  500.771   34.286 10.11679 47.87601 
1 1 1  -12    8    6 o  535.016   24.182  3611.56  323.080  3367.62  454.630  3860.45  459.214  512.323   35.760  549.520   33.626 -37.19672 49.08641 
1 1 1  -12    8    7 o  671.453   30.027  5720.86  503.468  6283.52  711.945  5157.99  712.077  697.775   41.039  629.562   45.603 68.21234 61.34986 
1 1 1  -12    8    8 o  208.074   14.058  544.974   72.618  541.760   99.337  548.662  106.423  206.691   19.476  207.794   20.788 -1.103607 28.48599 
1 1 1  -12    8    9 o  253.438   15.177  808.275   95.610  840.417  132.292  773.130  138.337  257.594   20.742  246.638   22.716 10.95631 30.76114 
1 1 1  -12    8   10 o  174.299   13.227  382.769   57.143  324.914   76.090  457.604   86.539  159.573   19.501  189.939   18.479 -30.36652 26.86552 
1 1 1  -12    8   11 o  363.414   18.809  1664.99  170.109  2043.75  239.518  1279.51  241.637  401.587   23.994  315.664   31.056 85.92297 39.24513 
1 1 1  -12    8   12 o  395.056   19.392  1963.93  191.309  1970.16  268.294  1957.48  272.867  393.229   27.495  391.789   28.076 1.440704 39.29700 
1 1 1  -12    8   13 o  213.439   11.851  572.314   62.920  551.196   75.723  619.412  113.084  209.117   14.592  220.741   20.759 -11.62360 25.37425 
1 1 1  -12    8   14 o  234.085   10.060  685.791   58.806  659.927   82.495  712.512   83.851  228.884   14.508  237.908   14.178 -9.024078 20.28577 
1 1 1  -12    8   15 o  316.239   12.064  1253.23   95.273  1254.73  134.396  1251.71  135.079  315.393   17.128  314.992   17.238 0.4004822 24.30076 
1 1 1  -12    8   16 o  312.656   12.093  1225.36   94.414  1297.90  133.371  1152.49  133.673  320.781   16.707  302.015   17.803 18.76575 24.41467 
1 1 1  -12    8   17 o  317.673   12.126  1265.45   96.191  1285.64  135.741  1245.08  136.330  319.079   17.098  313.914   17.460 5.164978 24.43772 
1 1 1  -12    8   18 o  188.657   9.7406  446.909   45.732  417.424   64.165  477.350   65.197  181.709   14.255  194.504   13.507 -12.79504 19.63781 
1 1 1  -12    8   19 o  353.425   12.294  1567.74  108.499  1492.47  152.988  1643.90  153.899  343.389   17.903  361.041   17.070 -17.65176 24.73654 
1 1 1  -12    8   20 o  359.603   12.805  1624.47  114.990  1595.44  162.396  1653.67  162.846  354.775   18.394  361.744   18.027 -6.968689 25.75460 
1 1 1  -12    8   21 o  192.424   9.6995  465.217   46.458  460.269   65.383  470.263   66.024  190.785   13.817  192.858   13.801 -2.072937 19.52876 
1 1 1  -12    8   22 f  192.159   9.0893  462.650   43.615  463.439   61.477  461.851   61.888  191.557   12.927  191.208   13.039 0.3489990 18.36132 
1 1 1  -12    8   23 o  246.564   12.026  763.886   74.043  849.878  133.626  725.786   88.946  257.622   20.953  239.473   14.948 18.14844 25.73845 
1 1 1  -12    8   24 f  138.786   14.511  245.366   49.549  253.151   83.765  241.176   61.453  138.434   25.158  136.747   18.469 1.687241 31.20899 
1 1 1  -12    8   25 o  335.322   14.520  1417.79  121.586  1448.48  215.954  1403.55  147.118  334.404   26.067  332.367   17.790 2.036407 31.55866 
1 1 1  -12    8   26 o  415.517   16.513  2184.00  171.345  2411.26  303.511  2077.69  207.589  430.360   28.401  403.303   20.682 27.05664 35.13367 
1 1 1  -12    8   27 o  282.654   13.194  1006.05   93.125  1064.28  171.216  981.588  110.976  286.968   24.116  278.189   16.043 8.778687 28.96481 
1 1 1  -12    8   28 o  332.240   14.856  1393.48  123.251  1383.10  222.289  1398.09  148.102  325.637   27.595  331.493   17.958 -5.855865 32.92413 
1 1 1  -12    8   29 o  101.197   14.819  131.951   36.339  200.581   92.801  119.521   39.493  121.548   30.596   95.727   17.151 25.82081 35.07513 
1 1 1  -12    8   30 o  411.433   15.726  2141.58  161.572  2531.51  293.306  1971.71  193.593  441.183   26.749  392.814   19.799 48.36932 33.27946 
1 1 1  -12    8   31 o  235.123   24.292  719.815  140.572   0.0000   0.0000  719.815  140.572  ?   ?   235.123   24.292 0.000000 24.29173 
1 1 1  -12    8   32 o   94.908   26.151  120.781   63.962   30.895  106.260  171.855   80.098   79.041   32.792  112.502   28.483 -33.46064 43.43481 
1 1 1  -12    8   33 o  111.371   14.640  159.619   39.729  211.844  115.381  152.594   42.317  123.451   35.518  108.514   16.105 14.93647 38.99891 
1 1 1  -12    8   34 o  539.466   20.871  3750.99  281.156  3865.24  500.627  3698.35  339.805  527.557   38.261  531.488   25.603 -3.930969 46.03706 
1 1 1  -12    8   35 o  110.589   14.552  157.997   39.210  197.024  121.451  153.456   41.429  118.008   37.024  108.662   15.725 9.346260 40.22503 
1 1 1  -12    8   36 o  144.196   13.600  266.632   48.392  274.535  135.225  265.471   51.824  136.172   38.210  143.576   14.660 -7.404221 40.92559 
1 1 1  -12    8   37 o  211.340   16.422  578.445   85.987  689.562  167.269  538.534  100.247  221.339   31.123  202.069   20.135 19.26971 37.06773 
1 1 1  -12    8   38 o   46.877   21.673 -40.5215   59.684   16.800  131.800 -55.3081   66.941   79.792   34.878   47.970   22.438 31.82139 41.47213 
1 1 1  -12    8   39 o  179.155   13.508  414.407   59.988  401.886  164.230  416.334   64.440  156.490   41.390  179.114   14.532 -22.62357 43.86665 
1 1 1  -12    8   40 o  216.009   17.979  619.327   96.102  571.398  194.084  634.896  110.615  183.624   43.071  216.680   20.695 -33.05602 47.78436 
1 1 1  -12    8   41 o  126.960   14.802  212.224   46.048  275.163  174.448  207.511   47.741  123.147   44.378  125.169   15.613 -2.021751 47.04456 
1 1 1  -12    8   42 f   83.867   29.244  102.070   75.237   0.0000   0.0000  102.070   75.237  ?   ?    83.867   29.244 0.000000 29.24366 
1 1 1  -12    8   43 f  131.899   14.452  230.390   46.822  427.776  203.074  219.307   48.119  141.373   48.095  128.202   15.335 13.17081 50.48061 
1 1 1  -12    8   44 o  101.297   16.367  140.125   39.990  254.662  213.717  135.969   40.710  108.248   45.808   99.427   17.007 8.821060 48.86312 
1 1 1  -12    9    1 o  401.318   13.580  2019.44  136.089  1938.85  191.799  2101.14  193.126  392.339   19.577  408.545   18.930 -16.20581 27.23207 
1 1 1  -12    9    2 o  375.942   13.150  1771.37  123.453  1780.07  174.067  1762.57  175.117  376.162   18.531  373.804   18.820 2.358459 26.41194 
1 1 1  -12    9    3 o  642.184   20.076  5193.33  321.955  4996.73  454.738  5390.92  455.892  627.008   29.043  651.670   28.015 -24.66217 40.35210 
1 1 1  -12    9    4 o  584.301   18.430  4292.75  268.911  4140.36  379.768  4446.00  380.831  571.678   26.602  592.678   25.731 -21.00079 37.01046 
1 1 1  -12    9    5 o  270.142   10.901  913.384   73.537  931.784  103.545  894.659  104.456  272.108   15.300  266.550   15.763 5.557800 21.96756 
1 1 1  -12    9    6 o  388.293   13.389  1889.32  129.823  1951.96  183.383  1826.38  183.812  394.015   18.638  380.535   19.408 13.47940 26.90779 
1 1 1  -12    9    7 o  196.410   9.7755  482.594   47.946  494.272   66.881  470.246   68.771  198.133   13.600  193.140   14.361 4.992950 19.77887 
1 1 1  -12    9    8 o  195.151   9.9156  477.685   48.163  470.419   67.060  485.425   69.217  193.220   13.993  196.264   14.219 -3.044632 19.94966 
1 1 1  -12    9    9 o  223.028   9.9991  622.348   55.689  639.228   77.982  604.779   79.555  225.390   13.923  219.120   14.623 6.270340 20.19130 
1 1 1  -12    9   10 o  164.135   9.6376  338.188   39.329  316.328   54.257  362.389   57.089  158.249   13.870  169.494   13.603 -11.24500 19.42680 
1 1 1  -12    9   11 o  416.399   13.688  2173.73  142.330  2191.97  201.105  2155.43  201.464  417.306   19.298  413.779   19.497 3.527313 27.43310 
1 1 1  -12    9   12 o  238.303   10.422  710.797   62.020  729.867   87.087  691.174   88.345  240.764   14.553  234.183   15.189 6.580856 21.03566 
1 1 1  -12    9   13 o  425.266   14.319  2269.08  152.059  2277.94  214.717  2260.18  215.372  425.070   20.228  423.381   20.371 1.689819 28.70790 
1 1 1  -12    9   14 o  116.045   15.358  172.034   43.411   0.0000   0.0000  172.034   43.411  ?   ?   116.045   15.358 0.000000 15.35773 
1 1 1  -12    9   15 o  432.682   20.969  2364.98  226.569  2364.98  226.569   0.0000   0.0000  432.682   20.969  ?   ?  0.000000 20.96917 
1 1 1  -12    9   16 o  316.295   12.012  1254.28   94.878  1239.87  133.796  1268.86  134.563  313.345   17.164  317.018   17.061 -3.673279 24.20073 
1 1 1  -12    9   17 o  268.523   11.248  903.807   75.425  869.557  106.095  938.807  107.249  262.337   16.275  272.708   15.817 -10.37076 22.69478 
1 1 1  -12    9   18 o  129.344   10.057  210.844   32.228  210.954   44.693  210.725   46.516  128.798   14.127  128.624   14.748 0.1745148 20.42306 
1 1 1  -12    9   19 o  366.933   13.033  1691.33  119.417  1679.59  168.649  1703.12  169.116  364.059   18.613  366.630   18.532 -2.570953 26.26532 
1 1 1  -12    9   20 o  323.103   11.877  1310.53   95.832  1283.39  135.194  1337.94  135.863  318.388   17.066  325.173   16.789 -6.785309 23.93981 
1 1 1  -12    9   21 o  198.048   10.658  493.406   52.518  510.228   74.095  476.423   74.451  200.708   14.889  193.787   15.515 6.920593 21.50372 
1 1 1  -12    9   22 o  231.608   10.351  672.843   59.865  645.167   84.423  700.834   84.903  225.733   15.063  235.425   14.513 -9.691315 20.91683 
1 1 1  -12    9   23 o  132.054   10.253  220.046   33.544  242.959   46.910  196.068   47.986  138.247   13.771  123.637   15.912 14.60989 21.04365 
1 1 1  -12    9   24 o  199.540   14.572  504.566   72.110  546.587  112.427  475.196   93.991  205.799   22.229  192.394   19.848 13.40555 29.80119 
1 1 1  -12    9   25 o  380.766   13.421  1825.57  127.608  1913.22  180.711  1738.38  180.220  388.290   18.637  369.315   19.612 18.97455 27.05474 
1 1 1  -12    9   26 o  391.386   16.303  1937.09  159.338  1979.86  281.467  1916.91  193.292  389.362   29.160  387.609   20.038 1.752991 35.38130 
1 1 1  -12    9   27 o  150.039   12.232  284.975   45.430  362.086   96.655  263.109   51.470  166.417   23.948  143.710   14.542 22.70772 28.01751 
1 1 1  -12    9   28 o  108.963   14.684  152.454   38.938  165.339   91.598  149.612   43.019  110.802   31.573  107.532   16.551 3.269295 35.64856 
1 1 1  -12    9   29 o  148.732   12.801  280.536   47.082  387.704  105.954  254.168   52.556  171.698   25.485  141.061   15.158 30.63623 29.65205 
1 1 1  -12    9   30 o  261.639   13.168  864.745   85.757  994.808  165.918  817.333  100.175  277.003   24.230  253.670   15.894 23.33327 28.97761 
1 1 1  -12    9   31 o  189.961   12.791  456.662   60.325  505.768  132.148  443.735   67.802  195.380   27.875  186.850   14.648 8.529144 31.48994 
1 1 1  -12    9   32 o  194.384   24.912  496.116  118.142   0.0000   0.0000  496.116  118.142  ?   ?   194.384   24.912 0.000000 24.91165 
1 1 1  -12    9   33 o  193.310   13.044  473.800   62.599  581.236  143.569  448.581   69.559  208.828   28.257  187.613   14.972 21.21501 31.97795 
1 1 1  -12    9   34 o  374.934   16.618  1790.59  155.590  1759.54  287.503  1803.45  185.025  360.843   32.246  374.214   19.871 -13.37100 37.87668 
1 1 1  -12    9   35 o  131.356   14.395  221.673   46.445  196.158  130.603  225.366   49.694  118.142   38.533  132.210   15.337 -14.06868 41.47305 
1 1 1  -12    9   36 o   73.380   18.452   72.111   33.777  231.330  128.933   60.378   35.000  125.750   37.912   67.505   19.603 58.24518 42.68052 
1 1 1  -12    9   37 o   88.747   17.628  105.086   37.690   0.0000   0.0000  105.086   37.690  ?   ?    88.747   17.628 0.000000 17.62828 
1 1 1  -12    9   38 o   69.949   19.428   66.170   35.147   49.525  135.609   67.368   36.390   85.733   36.396   70.559   19.830 15.17332 41.44736 
1 1 1  -12    9   39 o   73.954   17.879   74.321   32.653  287.808  145.094   62.931   33.513  133.279   40.227   68.068   18.994 65.21117 44.48564 
1 1 1  -12    9   40 o  110.072   14.823  159.457   39.708  403.832  159.879  143.393   40.992  156.122   40.620  103.711   16.371 52.41055 43.79530 
1 1 1  -12    9   41 o  144.281   14.209  272.097   50.531  269.723  172.462  272.320   52.850  122.828   44.139  144.019   14.911 -21.19018 46.59004 
1 1 1  -12    9   42 o   92.865   17.007  117.092   37.987  355.962  181.334  106.128   38.849  136.490   45.447   87.787   18.314 48.70216 48.99864 
1 1 1  -12    9   43 o  124.377   30.251  241.255   93.056   0.0000   0.0000  241.255   93.056  ?   ?   124.377   30.251 0.000000 30.25138 
1 1 1  -12    9   44 o   62.773   18.678   54.954   31.447  201.270  210.035   51.599   31.806  102.876   44.506   61.066   18.912 41.81014 48.35753 
1 1 1  -12   10    1 o  485.882   15.751  2967.10  191.114  2860.82  269.644  3074.38  270.913  475.425   22.712  493.055   22.003 -17.63028 31.62244 
1 1 1  -12   10    2 o  371.388   12.997  1729.55  120.534  1728.52  170.062  1730.58  170.862  370.489   18.381  370.696   18.458 -0.2073975 26.04924 
1 1 1  -12   10    3 o  259.826   10.642  845.244   69.049  805.253   96.847  886.588   98.473  252.760   15.417  265.338   14.922 -12.57803 21.45613 
1 1 1  -12   10    4 f  470.834   15.269  2783.18  179.523  2608.41  253.089  2960.16  254.686  454.403   22.304  484.380   21.056 -29.97656 30.67256 
1 1 1  -12   10    5 o  237.277   10.295  704.687   61.003  701.229   85.529  708.268   87.034  235.960   14.587  237.121   14.772 -1.161118 20.75990 
1 1 1  -12   10    6 f  219.228   9.9816  601.450   54.645  598.192   76.524  604.840   78.058  217.934   14.137  219.119   14.345 -1.185013 20.14045 
1 1 1  -12   10    7 o  111.684   10.281  157.426   28.350  163.161   39.316  151.216   40.918  113.176   14.225  108.675   15.518 4.501266 21.05192 
1 1 1  -12   10    8 o  348.055   12.665  1518.08  110.078  1579.23  155.318  1456.36  156.032  354.404   17.550  339.724   18.462 14.68039 25.47204 
1 1 1  -12   10    9 o  194.737   9.6190  474.504   46.777  453.383   65.068  497.093   67.292  189.642   13.835  198.643   13.648 -9.001404 19.43441 
1 1 1  -12   10   10 o  531.585   17.228  3552.83  228.702  3580.68  323.220  3524.90  323.648  531.841   24.337  527.615   24.564 4.226013 34.57880 
1 1 1  -12   10   11 o  400.039   13.905  2007.43  138.908  2168.80  196.391  1845.87  196.501  414.985   18.951  381.995   20.676 32.99026 28.04757 
1 1 1  -12   10   12 o  239.855   10.436  720.266   62.509  776.717   88.021  662.831   88.787  248.384   14.251  229.189   15.606 19.19525 21.13370 
1 1 1  -12   10   13 o  361.968   14.783  1645.20  133.627  1639.68  231.650  1647.95  163.587  358.340   26.066  361.303   18.190 -2.963165 31.78506 
1 1 1  -12   10   14 o  416.122   16.699  2178.47  173.522  2197.39  211.260  2139.25  304.211  417.179   20.279  407.897   30.078 9.282257 36.27565 
1 1 1  -12   10   15 o  441.074   14.983  2444.83  165.033  2455.51  233.092  2434.10  233.694  440.622   21.184  438.657   21.334 1.964600 30.06500 
1 1 1  -12   10   16 o  331.761   12.538  1380.92  103.877  1367.15  146.300  1394.91  147.515  328.815   17.885  332.153   17.850 -3.338440 25.26835 
1 1 1  -12   10   17 o  128.324   10.094  207.560   32.084  213.418   44.543  201.245   46.252  129.584   13.987  125.612   15.044 3.971680 20.54186 
1 1 1  -12   10   18 o  173.463   9.7829  378.146   42.203  354.405   58.852  403.280   60.554  167.292   14.222  178.619   13.680 -11.32727 19.73353 
1 1 1  -12   10   19 o  177.447   10.053  395.888   44.363  396.804   62.112  394.935   63.387  177.051   14.167  176.574   14.504 0.4771118 20.27448 
1 1 1  -12   10   20 f  351.968   13.043  1557.23  114.638  1518.50  161.610  1596.47  162.639  345.830   18.784  354.733   18.423 -8.903320 26.31086 
1 1 1  -12   10   21 o  230.706   11.031  667.947   63.550  656.964   89.368  679.181   90.387  227.663   15.818  231.516   15.727 -3.853699 22.30581 
1 1 1  -12   10   22 o  145.771   10.302  267.853   37.261  264.755   52.006  271.121   53.411  144.224   14.643  145.923   14.865 -1.699127 20.86590 
1 1 1  -12   10   23 o  190.608   9.9798  456.893   47.337  432.672   66.391  481.939   67.513  184.727   14.509  195.129   13.947 -10.40210 20.12542 
1 1 1  -12   10   24 o  238.957   14.862  722.920   88.245  811.705  133.583  654.174  117.545  251.444   21.481  225.660   21.104 25.78438 30.11332 
1 1 1  -12   10   25 o  452.147   18.047  2591.93  203.771  2570.47  250.432  2633.97  350.536  448.452   22.363  447.922   31.540 0.5303345 38.66335 
1 1 1  -12   10   26 o  327.600   12.945  1350.86  105.902  1403.28  149.582  1298.18  149.956  332.155   18.102  319.173   18.898 12.98175 26.16937 
1 1 1  -12   10   27 o  261.540   12.965  861.130   84.678  962.440  157.784  820.148  100.354  273.082   23.363  254.243   15.886 18.83813 28.25203 
1 1 1  -12   10   28 o  235.235   12.889  698.699   75.424  722.802  142.340  689.290   88.936  235.920   24.519  233.094   15.365 2.825714 28.93557 
1 1 1  -12   10   29 o  164.404   12.951  342.448   52.739  407.746  112.513  324.062   59.704  175.835   26.442  159.464   15.176 16.37183 30.48808 
1 1 1  -12   10   30 o  170.420   12.958  367.933   54.733  468.759  119.718  341.290   61.542  188.779   26.093  163.638   15.235 25.14111 30.21535 
1 1 1  -12   10   31 o  196.750   12.849  489.796   62.781  576.204  134.054  465.519   71.055  209.419   26.208  191.331   14.992 18.08817 30.19259 
1 1 1  -12   10   32 o  147.372   15.602  278.012   56.545   0.0000   0.0000  278.012   56.545  ?   ?   147.372   15.602 0.000000 15.60219 
1 1 1  -12   10   33 o  280.608   25.873  1033.10  179.261   0.0000   0.0000  1033.10  179.261  ?   ?   280.608   25.873 0.000000 25.87349 
1 1 1  -12   10   34 o  204.634   13.730  532.271   69.755  556.020  153.201  526.060   78.348  202.074   31.378  202.918   15.581 -0.8449554 35.03310 
1 1 1  -12   10   35 o  183.544   14.067  429.956   63.982  328.554  147.573  453.430   71.003  150.183   39.002  188.167   15.242 -37.98386 41.87403 
1 1 1  -12   10   36 o  171.000   14.331  374.804   60.632  288.599  148.242  392.122   66.444  139.035   40.335  174.590   15.398 -35.55608 43.17374 
1 1 1  -12   10   37 o   86.319   18.071   99.753   37.705   41.457  134.139  104.755   39.289   85.357   36.215   88.418   18.393 -3.061264 40.61832 
1 1 1  -12   10   38 o  239.271   16.731  744.244   99.341  1004.32  193.072  650.600  115.853  267.834   29.348  220.979   21.257 46.85493 36.23715 
1 1 1  -12   10   39 o  118.603   15.976  185.230   46.112  232.628  154.258  180.579   48.322  120.386   41.879  116.656   17.095 3.729874 45.23395 
1 1 1  -12   10   40 o   53.028   18.266   34.606   29.309   90.125  151.749   32.455   29.872   92.491   38.840   52.153   18.409 40.33855 42.98183 
1 1 1  -12   10   41 o  102.256   16.365  139.880   40.378  210.091  169.332  135.647   41.578  112.261   43.069  100.324   17.216 11.93644 46.38254 
1 1 1  -12   10   42 o  195.521   14.227  499.204   68.987  569.774  204.841  490.176   73.267  175.636   46.115  193.068   15.323 -17.43185 48.59420 
1 1 1  -12   10   43 o  120.089   15.591  192.545   45.652  223.009  198.128  190.837   46.914  109.710   45.073  119.264   16.169 -9.554443 47.88504 
1 1 1  -12   10   44 o   70.690   28.657   56.194   78.788   0.0000   0.0000   56.194   78.788  ?   ?    70.690   28.657 0.000000 28.65716 
1 1 1  -12   11    1 o  371.257   12.839  1729.75  119.034  1629.89  167.503  1831.63  169.189  358.875   18.756  381.147   17.776 -22.27213 25.84120 
1 1 1  -12   11    2 o  335.058   12.273  1407.95  102.685  1466.03  144.652  1348.95  145.792  341.211   16.977  326.665   17.941 14.54648 24.69982 
1 1 1  -12   11    3 o  450.318   15.029  2548.15  169.010  2527.15  238.533  2569.31  239.501  447.012   21.369  450.750   21.278 -3.737946 30.15556 
1 1 1  -12   11    4 o  198.328   9.7058  492.383   48.069  463.180   66.988  523.383   69.018  191.573   14.102  203.771   13.642 -12.19760 19.62062 
1 1 1  -12   11    5 o  121.069   9.8495  184.693   29.520  174.469   40.276  196.560   43.392  117.074   14.058  124.337   14.232 -7.262230 20.00387 
1 1 1  -12   11    6 o  105.745   10.669  141.444   27.788  150.376   38.316  131.534   40.360  108.500   14.505  100.984   16.581 7.516289 22.02957 
1 1 1  -12   11    7 o  113.874   10.080  163.597   28.367  159.544   38.969  168.164   41.373  111.854   14.277  114.800   14.775 -2.946358 20.54585 
1 1 1  -12   11    8 o  416.320   14.183  2175.30  147.449  2152.37  208.084  2198.44  208.968  413.031   20.175  417.455   20.046 -4.424011 28.44015 
1 1 1  -12   11    9 o  182.209   9.7640  416.742   44.266  426.387   61.679  406.497   63.566  183.870   13.528  179.397   14.308 4.472504 19.69101 
1 1 1  -12   11   10 o  289.420   11.400  1049.44   82.389  1087.14  115.985  1011.05  117.052  293.683   15.874  283.056   16.633 10.62689 22.99222 
1 1 1  -12   11   11 o  217.219   10.260  590.802   55.653  626.670   78.059  553.720   79.368  223.001   14.090  209.386   15.285 13.61511 20.78818 
1 1 1  -12   11   12 o  171.569   9.4676  369.559   40.406  374.411   56.355  364.426   57.963  172.254   13.202  169.846   13.785 2.408249 19.08709 
1 1 1  -12   11   13 o  465.396   18.185  2729.99  211.347  2946.75  365.116  2620.76  259.183  478.473   30.720  454.185   22.926 24.28735 38.33186 
1 1 1  -12   11   14 o  209.959   10.405  552.198   54.557  624.031   76.798  479.016   77.516  222.491   13.892  194.462   16.108 28.02846 21.27078 
1 1 1  -12   11   15 o  221.441   10.573  614.420   58.466  645.380   82.126  582.604   83.252  226.128   14.622  214.629   15.641 11.49966 21.41111 
1 1 1  -12   11   16 o  317.062   12.218  1261.43   96.738  1323.55  136.472  1198.69  137.146  323.608   16.947  307.697   17.927 15.91101 24.66894 
1 1 1  -12   11   17 o  309.233   11.716  1199.74   90.471  1232.43  127.766  1166.87  128.127  312.269   16.442  303.709   16.962 8.560211 23.62321 
1 1 1  -12   11   18 o  437.459   15.074  2409.67  164.672  2392.10  232.472  2427.37  233.294  433.997   21.450  437.213   21.368 -3.215851 30.27696 
1 1 1  -12   11   19 o  155.883   10.213  305.938   39.535  299.998   55.030  312.275   56.838  153.704   14.509  156.812   14.686 -3.107605 20.64385 
1 1 1  -12   11   20 o  399.423   14.221  2008.64  141.846  2015.31  200.241  2001.91  200.962  397.920   20.218  396.538   20.363 1.382233 28.69534 
1 1 1  -12   11   21 o  102.921   11.288  134.554   28.536  125.637   39.457  144.332   41.318   98.417   16.649  105.751   16.159 -7.334419 23.20104 
1 1 1  -12   11   22 o  169.073   10.376  359.960   43.597  383.087   61.055  335.900   62.275  173.821   14.190  162.430   15.543 11.39137 21.04578 
1 1 1  -12   11   23 o  144.899   10.132  264.651   36.430  273.241   50.507  255.336   52.596  146.633   13.962  141.486   15.120 5.147552 20.58074 
1 1 1  -12   11   24 o  105.161   16.361  142.993   41.568  173.284   75.481  129.807   49.800  113.697   26.989   99.188   20.771 14.50919 34.05670 
1 1 1  -12   11   25 o  283.242   17.649  1020.38  124.212  642.001  180.041  1364.07  171.588  218.595   34.095  326.403   21.166 -107.8078 40.13018 
1 1 1  -12   11   26 o  198.904   10.151  497.731   50.254  463.526   70.559  532.945   71.592  191.084   14.905  205.147   14.060 -14.06323 20.48973 
1 1 1  -12   11   27 o  308.202   12.504  1195.18   96.232  1178.29  136.070  1212.07  136.114  304.266   17.988  308.694   17.732 -4.428253 25.25856 
1 1 1  -12   11   28 o  231.441   13.564  677.261   78.053  569.673  143.620  722.357   92.984  207.726   28.433  238.553   15.697 -30.82683 32.47818 
1 1 1  -12   11   29 o  316.626   14.553  1265.47  115.063  1414.46  210.565  1202.04  137.391  330.058   25.751  307.213   17.987 22.84534 31.41110 
1 1 1  -12   11   30 f  284.300   13.590  1019.19   96.480  1175.78  182.303  958.275  113.710  301.181   24.450  274.515   16.666 26.66638 29.59011 
1 1 1  -12   11   31 o  145.998   13.537  271.095   48.793  360.678  115.577  251.667   53.824  163.928   29.310  140.184   15.642 23.74408 33.22250 
1 1 1  -12   11   32 o  263.565   15.021  881.716   98.452  591.011  187.869  991.776  115.596  206.448   37.836  279.069   16.664 -72.62070 41.34252 
1 1 1  -12   11   33 o  196.693   26.137  511.920  125.199   0.0000   0.0000  511.920  125.199  ?   ?   196.693   26.137 0.000000 26.13661 
1 1 1  -12   11   34 o  203.629   13.786  527.159   69.686  474.180  152.705  541.094   78.316  184.820   34.351  205.881   15.343 -21.06052 37.62183 
1 1 1  -12   11   35 o  165.006   13.863  347.714   56.595  449.589  143.550  328.965   61.583  179.482   33.253  159.985   15.613 19.49774 36.73573 
1 1 1  -12   11   36 f  171.393   15.807  378.543   66.891   0.0000   0.0000  378.543   66.891  ?   ?   171.393   15.807 0.000000 15.80671 
1 1 1  -12   11   37 o   90.395   19.203  109.883   42.009  148.098  133.582  105.689   44.255  105.141   38.689   88.310   20.468 16.83109 43.76897 
1 1 1  -12   11   38 o  174.368   14.103  391.741   60.885  408.084  158.124  388.896   65.971  162.539   39.373  173.215   15.413 -10.67616 42.28254 
1 1 1  -12   11   39 o  188.121   17.395  465.077   80.793  434.248  173.378  473.629   91.313  163.143   42.229  188.568   19.682 -25.42494 46.59041 
1 1 1  -12   11   40 o  130.667   14.981  223.667   47.998  203.599  163.668  225.556   50.206  112.915   42.574  130.942   15.665 -18.02673 45.36471 
1 1 1  -12   11   41 o  198.602   14.703  514.319   72.399  657.633  199.309  492.534   77.707  198.918   41.468  193.435   16.237 5.482269 44.53326 
1 1 1  -12   11   42 o  214.554   14.392  600.834   76.665  713.098  219.902  585.301   81.797  200.110   45.087  210.930   15.641 -10.82059 47.72289 
1 1 1  -12   11   43 o   48.274   18.053   25.374   29.309 -114.3517  194.715   28.614   29.647   75.209   36.061   49.856   18.244 25.35227 40.41325 
1 1 1  -12   11   44 o  104.910   17.406  150.755   44.002   0.0000   0.0000  150.755   44.002  ?   ?   104.910   17.406 0.000000 17.40614 
1 1 1  -12   11   45 o  190.585   25.561  541.037  118.584  323.265  253.550  602.009  134.162  112.782   48.845  198.252   27.869 -85.47020 56.23647 
1 1 1  -12   12    1 o  315.572   16.716  1259.48  131.258  1286.76  185.429  1232.09  185.825  317.003   23.593  309.960   24.199 7.043243 33.79716 
1 1 1  -12   12    2 o  524.877   24.308  3510.13  318.613  3452.28  450.554  3568.00  450.621  513.791   35.331  522.773   34.716 -8.981873 49.53245 
1 1 1  -12   12    3 o  489.265   16.057  3014.33  196.178  2968.31  276.866  3060.74  278.013  483.397   22.936  490.961   22.676 -7.563538 32.25305 
1 1 1  -12   12    4 o  154.454   9.6125  299.882   36.891  303.525   51.027  295.893   53.399  154.916   13.320  152.815   14.154 2.100876 19.43562 
1 1 1  -12   12    5 o  174.610   9.5946  382.905   41.675  387.652   57.760  377.749   60.190  175.229   13.299  172.848   14.067 2.380295 19.35824 
1 1 1  -12   12    6 o   67.596   13.393   59.356   21.809   67.262   29.393   49.672   32.529   71.676   16.727   62.613   19.080 9.063797 25.37419 
1 1 1  -12   12    7 o  181.260   9.7917  412.583   44.157  407.181   61.371  418.382   63.582  179.559   13.792  181.980   14.101 -2.420242 19.72498 
1 1 1  -12   12    8 o  302.132   11.561  1144.25   87.225  1077.64  122.478  1212.81  124.252  292.087   16.863  310.072   16.102 -17.98511 23.31646 
1 1 1  -12   12    9 o   93.216   11.160  110.433   25.461  110.901   34.764  109.892   37.393   92.678   15.573   92.012   16.897 0.6658707 22.97881 
1 1 1  -12   12   10 o  366.999   13.177  1690.39  120.766  1771.25  170.570  1609.11  171.008  374.797   18.225  356.521   19.280 18.27585 26.52999 
1 1 1  -12   12   11 o  305.784   11.686  1172.30   89.234  1208.66  125.587  1135.22  126.813  309.469   16.308  299.752   17.012 9.717621 23.56607 
1 1 1  -12   12   12 o  108.199   15.421  150.147   40.488   0.0000   0.0000  150.147   40.488  ?   ?   108.199   15.421 0.000000 15.42113 
1 1 1  -12   12   13 o  198.719   13.985  498.546   68.958  498.546   68.958   0.0000   0.0000  198.719   13.985  ?   ?  0.000000 13.98536 
1 1 1  -12   12   14 o  335.596   12.490  1413.51  104.668  1478.20  147.693  1348.23  148.356  341.946   17.353  326.303   18.280 15.64273 25.20516 
1 1 1  -12   12   15 o  294.414   11.334  1087.08   83.330  1104.65  117.148  1069.09  118.556  295.730   15.922  290.817   16.392 4.912628 22.85162 
1 1 1  -12   12   16 o  323.060   12.427  1310.41  100.256  1310.65  141.369  1310.17  142.201  321.711   17.665  321.623   17.774 0.8718872E-01 25.05921 
1 1 1  -12   12   17 o  317.994   11.755  1269.19   93.345  1267.66  131.495  1270.74  132.530  316.538   16.694  316.897   16.807 -0.3582153 23.68946 
1 1 1  -12   12   18 o  178.761   10.152  401.903   45.133  370.161   62.707  436.019   65.010  170.806   14.849  185.611   14.132 -14.80487 20.49904 
1 1 1  -12   12   19 o  183.894   10.644  425.618   48.670  426.240   68.280  424.976   69.394  183.305   15.049  182.977   15.328 0.3284302 21.48110 
1 1 1  -12   12   20 o  285.961   11.325  1026.66   80.871  1001.28  113.693  1052.66  115.056  281.130   16.264  288.331   16.043 -7.200623 22.84536 
1 1 1  -12   12   21 o  115.502   10.584  168.784   30.189  183.527   41.444  152.118   44.064  119.904   14.111  108.471   16.811 11.43317 21.94877 
1 1 1  -12   12   22 o  183.523   10.136  423.776   46.271  387.029   64.381  463.038   66.548  174.559   14.913  191.216   14.035 -16.65701 20.47825 
1 1 1  -12   12   23 o  162.844   14.668  337.055   59.008  295.258   92.542  365.692   76.600  149.562   25.704  168.842   18.469 -19.28000 31.65147 
1 1 1  -12   12   24 o  272.406   15.706  940.410  106.387  1027.50  157.698  867.667  144.126  282.635   22.531  259.613   22.452 23.02237 31.80766 
1 1 1  -12   12   25 f  232.245   15.849  684.719   91.370  561.310  136.515  784.864  122.977  206.812   27.084  247.546   20.066 -40.73349 33.70797 
1 1 1  -12   12   26 o  134.389   10.941  228.307   36.400  181.136   50.423  279.641   52.601  118.317   17.602  148.224   14.392 -29.90694 22.73697 
1 1 1  -12   12   27 o  287.025   11.641  1035.59   83.435  1008.50  117.557  1063.09  118.439  281.748   16.785  289.393   16.457 -7.645477 23.50658 
1 1 1  -12   12   28 o  287.729   12.987  1042.56   93.317  1063.04  131.986  1022.10  131.953  288.751   18.400  282.994   18.779 5.757141 26.29081 
1 1 1  -12   12   29 o  368.245   16.622  1717.61  152.855  1543.70  271.661  1798.18  184.902  341.180   32.269  375.174   19.806 -33.99408 37.86221 
1 1 1  -12   12   30 o  179.912   14.153  410.967   63.073  345.776  125.977  432.775   72.863  159.303   32.762  184.239   15.996 -24.93602 36.45802 
1 1 1  -12   12   31 o  167.173   19.950  361.447   81.637  404.884  123.794  328.020  108.597  173.762   29.590  156.274   28.892 17.48833 41.35591 
1 1 1  -12   12   32 o  247.529   13.997  776.396   86.165  913.890  171.234  729.777   99.708  263.963   26.329  239.183   16.800 24.77925 31.23216 
1 1 1  -12   12   33 o  239.303   26.033  754.207  153.057   0.0000   0.0000  754.207  153.057  ?   ?   239.303   26.033 0.000000 26.03262 
1 1 1  -12   12   34 o  124.510   31.405  215.116   97.634   0.0000   0.0000  215.116   97.634  ?   ?   124.510   31.405 0.000000 31.40491 
1 1 1  -12   12   35 o   76.927   18.911   79.032   36.073  122.121  123.927   75.043   37.705  100.377   37.203   74.957   19.835 25.41978 42.16067 
1 1 1  -12   12   36 o  172.438   15.086  382.124   64.307  313.666  152.381  396.958   70.933  144.727   40.544  175.336   16.391 -30.60841 43.73176 
1 1 1  -12   12   37 o  233.661   14.570  700.369   84.593  720.022  182.805  695.014   95.425  224.847   33.587  231.852   16.591 -7.005325 37.46154 
1 1 1  -12   12   38 o   81.604   18.181   89.824   36.101   34.846  137.004   93.926   37.423   84.023   36.148   83.408   18.456 0.6148682 40.58664 
1 1 1  -12   12   39 o  202.840   14.982  533.333   75.351  480.796  179.220  544.614   83.048  172.345   42.022  204.240   16.422 -31.89473 45.11642 
1 1 1  -12   12   40 o   69.803   19.860   66.655   36.270  133.659  157.126   62.884   37.277  100.354   40.544   68.020   20.358 32.33401 45.36800 
1 1 1  -12   12   41 o  210.192   14.531  575.052   75.805  647.896  201.105  562.988   81.842  196.685   42.208  207.112   15.947 -10.42693 45.12005 
1 1 1  -12   12   42 o   45.297   17.562   19.044   28.374  202.874  181.142   14.420   28.729  109.865   43.829   43.561   17.429 66.30371 47.16738 
1 1 1  -12   12   43 o  132.092   15.000  231.002   48.601  411.038  203.906  220.158   50.044  141.497   48.193  128.457   15.943 13.04008 50.76198 
1 1 1  -12   12   44 o  186.178   14.406  457.017   66.455  714.163  239.998  435.664   69.160  183.315   50.715  181.044   15.445 2.271027 53.01509 
1 1 1  -12   12   45 o  162.283   31.031  421.111  121.170   0.0000   0.0000  421.111  121.170  ?   ?   162.283   31.031 0.000000 31.03093 
1 1 1  -12   13    1 o  362.539   12.766  1652.48  115.576  1546.90  162.414  1760.79  164.504  348.910   18.709  373.057   17.658 -24.14777 25.72614 
1 1 1  -12   13    2 f  232.824   10.215  679.688   59.392  649.415   82.782  711.800   85.258  226.605   14.709  237.332   14.455 -10.72733 20.62227 
1 1 1  -12   13    3 o  228.885   14.279  661.776   81.206  591.153  114.537  733.157  115.149  214.616   21.668  239.829   19.393 -25.21295 29.07901 
1 1 1  -12   13    4 o  280.889   15.673  997.140  109.499  941.820  154.815  1052.52  154.896  271.042   23.093  287.033   21.772 -15.99115 31.73858 
1 1 1  -12   13    5 o  333.939   17.370  1411.17  144.353  1351.12  204.306  1471.02  203.985  324.273   25.434  338.854   24.267 -14.58087 35.15382 
1 1 1  -12   13    6 o  294.349   11.381  1086.71   83.655  1071.44  117.440  1102.45  119.191  291.157   16.217  295.351   16.223 -4.194061 22.93822 
1 1 1  -12   13    7 o  399.450   13.663  2005.06  136.289  1950.34  191.929  2060.72  193.565  392.644   19.575  403.702   19.201 -11.05756 27.41942 
1 1 1  -12   13    8 o  310.080   11.634  1206.05   90.086  1164.62  126.490  1248.68  128.331  303.513   16.754  314.385   16.403 -10.87201 23.44677 
1 1 1  -12   13    9 o  129.878   9.8660  212.518   31.759  202.646   43.580  223.698   46.378  126.208   14.067  132.652   14.223 -6.444305 20.00413 
1 1 1  -12   13   10 o  208.676   10.092  545.588   52.588  536.422   73.442  555.233   75.334  206.062   14.362  209.641   14.479 -3.579651 20.39389 
1 1 1  -12   13   11 f  137.103   10.143  236.807   34.480  265.054   48.162  207.109   49.384  144.630   13.491  127.281   15.883 17.34956 20.83908 
1 1 1  -12   13   12 o  388.831   15.974  1904.58  155.108  2060.02  189.219  1586.19  270.812  403.707   18.769  349.197   31.392 54.51065 36.57476 
1 1 1  -12   13   13 o  369.367   13.299  1714.26  122.667  1751.63  172.717  1676.23  174.247  372.258   18.580  363.504   19.265 8.754364 26.76435 
1 1 1  -12   13   14 o  464.582   15.645  2719.20  181.505  2863.28  256.432  2574.55  256.941  474.803   21.628  449.186   22.983 25.61658 31.55928 
1 1 1  -12   13   15 o  294.477   11.206  1087.90   82.405  1184.08  116.177  990.524  116.902  306.611   15.173  279.669   16.817 26.94196 22.65050 
1 1 1  -12   13   16 o  327.914   12.334  1350.62  100.999  1368.43  142.280  1332.55  143.394  328.658   17.398  324.204   17.780 4.453461 24.87578 
1 1 1  -12   13   17 o  370.231   13.459  1724.12  124.434  1763.86  175.569  1684.01  176.387  372.679   18.927  363.944   19.479 8.734772 27.16001 
1 1 1  -12   13   18 o  238.109   10.380  711.125   61.720  709.628   86.433  712.683   88.162  236.878   14.684  237.335   14.952 -0.4568939 20.95674 
1 1 1  -12   13   19 o  328.565   12.500  1357.12  102.564  1368.97  144.432  1345.07  145.672  328.429   17.676  325.446   17.994 2.982635 25.22346 
1 1 1  -12   13   20 o  308.566   12.050  1196.58   92.848  1240.35  130.870  1152.22  131.749  312.765   16.818  301.198   17.593 11.56750 24.33822 
1 1 1  -12   13   21 o  306.396   12.221  1180.20   93.504  1213.60  131.793  1146.35  132.681  309.230   17.134  300.329   17.770 8.901031 24.68522 
1 1 1  -12   13   22 o  179.678   10.563  406.588   47.186  387.879   65.385  426.920   68.162  174.682   15.139  183.348   15.019 -8.666901 21.32516 
1 1 1  -12   13   23 o  157.060   14.674  313.794   56.885  295.897   90.050  325.678   73.381  149.907   24.931  159.108   18.834 -9.200851 31.24562 
1 1 1  -12   13   24 o  273.126   15.925  945.990  108.143  996.849  159.762  902.980  146.918  278.040   23.223  264.826   22.427 13.21460 32.28375 
1 1 1  -12   13   25 o  135.358   11.242  231.746   37.656  199.467   51.586  268.566   55.095  124.398   17.055  145.018   15.452 -20.62056 23.01383 
1 1 1  -12   13   26 o  240.010   10.911  723.520   65.397  716.628   91.820  730.615   93.165  237.651   15.558  239.949   15.634 -2.298264 22.05583 
1 1 1  -12   13   27 o  234.447   10.288  689.974   60.230  662.126   84.402  718.870   85.975  228.538   14.870  238.249   14.520 -9.711380 20.78344 
1 1 1  -12   13   28 o  197.914   11.895  494.382   58.516  510.615   82.406  477.871   83.107  200.139   16.639  193.384   17.396 6.754898 24.07221 
1 1 1  -12   13   29 o  224.020   11.410  632.535   63.618  616.862   89.804  648.324   90.135  220.108   16.457  225.775   16.092 -5.667847 23.01761 
1 1 1  -12   13   30 o  149.433   13.918  284.129   51.339  283.474  109.164  284.315   58.174  144.379   31.189  149.067   15.872 -4.687714 34.99555 
1 1 1  -12   13   31 o  227.941   14.308  658.818   81.031  608.505  155.960  677.421   94.836  213.543   30.080  230.551   16.583 -17.00748 34.34841 
1 1 1  -12   13   32 o  188.605   14.670  452.582   68.549  416.195  139.615  464.139   78.686  174.364   33.279  190.493   16.710 -16.12944 37.23833 
1 1 1  -12   13   33 f  181.265   14.415  418.436   64.709  317.697  145.672  443.201   72.227  149.465   38.718  186.258   15.674 -36.79291 41.77016 
1 1 1  -12   13   34 o  209.624   26.585  585.129  136.039   0.0000   0.0000  585.129  136.039  ?   ?   209.624   26.585 0.000000 26.58535 
1 1 1  -12   13   35 o  237.918   16.733  726.939   98.783   0.0000   0.0000  726.939   98.783  ?   ?   237.918   16.733 0.000000 16.73308 
1 1 1  -12   13   36 o  138.256   17.906  249.816   60.370  114.740  133.973  284.231   67.625   99.331   38.259  147.281   18.817 -47.94997 42.63601 
1 1 1  -12   13   37 o  241.916   14.576  750.727   87.644  718.460  186.455  759.878   99.297  223.782   34.472  242.492   16.496 -18.70978 38.21585 
1 1 1  -12   13   38 o   53.854   18.956   34.170   31.652   65.393  137.397   32.421   32.527   88.850   37.110   53.346   19.169 35.50406 41.76828 
1 1 1  -12   13   39 o  108.077   16.853  155.070   43.999  205.911  153.597  150.525   45.924  115.093   41.616  106.026   17.988 9.067101 45.33744 
1 1 1  -12   13   40 f   96.761   19.565  128.026   45.650  151.291  155.244  125.824   47.762  103.251   40.769   95.497   20.631 7.754150 45.69159 
1 1 1  -12   13   41 o  165.538   14.996  358.496   61.316  446.858  184.653  347.545   65.005  159.004   44.662  162.335   16.254 -3.330872 47.52792 
1 1 1  -12   13   42 o  150.198   15.413  297.370   56.989  330.942  192.270  294.137   59.670  131.683   46.681  148.908   16.314 -17.22493 49.44941 
1 1 1  -12   13   43 o  128.961   15.779  221.493   49.754  163.370  199.945  225.329   51.370  102.794   43.930  129.878   16.190 -27.08447 46.81855 
1 1 1  -12   13   44 o  141.578   16.015  268.465   55.624  239.287  228.660  270.300   57.346  109.620   46.916  141.775   16.507 -32.15499 49.73540 
1 1 1  -12   13   45 o  132.295   15.797  235.922   51.156  393.159  244.901  228.749   52.310  123.306   50.321  129.818   16.510 -6.511925 52.96013 
1 1 1  -12   14    1 o  231.879   10.179  674.756   58.939  633.399   81.805  719.395   84.990  223.572   14.735  238.415   14.342 -14.84303 20.56245 
1 1 1  -12   14    2 o  237.923   10.311  710.322   61.262  702.664   85.489  718.405   87.834  235.611   14.602  238.194   14.840 -2.582535 20.81946 
1 1 1  -12   14    3 o  303.914   11.487  1160.09   87.182  1110.55  122.202  1211.45  124.415  295.957   16.602  309.269   16.166 -13.31210 23.17228 
1 1 1  -12   14    4 o  348.600   12.644  1527.81  110.065  1482.03  154.723  1574.71  156.607  341.618   18.203  352.274   17.861 -10.65665 25.50176 
1 1 1  -12   14    5 o  426.539   14.489  2291.60  154.327  2169.38  217.271  2416.06  219.246  412.465   21.166  436.204   20.128 -23.73929 29.20785 
1 1 1  -12   14    6 o  254.246   14.993  817.244   94.768  767.990  134.296  866.098  133.750  244.614   22.228  260.319   20.747 -15.70505 30.40602 
1 1 1  -12   14    7 o  170.130   13.629  366.352   57.416  334.872   82.539  395.867   79.921  161.069   21.022  175.942   18.466 -14.87331 27.98073 
1 1 1  -12   14    8 o  311.424   16.651  1227.50  129.023  1239.73  183.349  1215.50  181.596  310.815   23.803  307.741   23.816 3.074493 33.67195 
1 1 1  -12   14    9 o  201.082   10.013  506.826   50.277  511.945   69.930  501.348   72.337  201.246   14.002  199.025   14.658 2.221115 20.27099 
1 1 1  -12   14   10 o  225.037   10.268  634.895   57.704  622.982   80.874  647.250   82.358  221.972   14.673  226.277   14.654 -4.304871 20.73728 
1 1 1  -12   14   11 o  186.356   11.437  437.446   52.966  451.281   89.009  429.861   65.905  187.821   19.249  184.247   14.440 3.574188 24.06327 
1 1 1  -12   14   12 o  154.072   11.175  299.395   42.705  308.165   52.596  282.427   73.158  155.948   13.643  147.882   20.350 8.065994 24.49975 
1 1 1  -12   14   13 o  293.620   11.522  1082.16   84.479  1136.08  118.815  1027.04  120.138  299.715   15.932  284.677   16.977 15.03879 23.28194 
1 1 1  -12   14   14 o   97.567   11.213  121.015   26.822  118.560   36.522  123.890   39.519   95.728   15.831   97.715   16.801 -1.986351 23.08509 
1 1 1  -12   14   15 o  114.660   10.278  166.181   29.115  175.371   39.978  155.802   42.486  117.235   13.928  110.022   15.927 7.212799 21.15812 
1 1 1  -12   14   16 o  241.406   10.655  731.175   64.235  810.880   90.500  650.253   91.188  253.327   14.365  226.371   16.239 26.95612 21.68086 
1 1 1  -12   14   17 o   93.115   11.763  110.615   26.742  116.000   36.543  104.405   39.240   94.588   16.044   89.224   18.227 5.364235 24.28289 
1 1 1  -12   14   18 o  199.870   10.334  502.504   51.401  540.836   71.861  462.344   73.554  206.752   14.001  190.777   15.575 15.97520 20.94319 
1 1 1  -12   14   19 f  465.407   16.022  2736.40  186.205  2894.53  263.327  2578.26  263.340  476.143   22.147  448.133   23.615 28.01035 32.37531 
1 1 1  -12   14   20 f  486.719   16.608  2996.05  201.864  3133.53  285.167  2857.96  285.792  494.835   23.077  471.348   24.364 23.48630 33.55833 
1 1 1  -12   14   21 o  318.710   12.848  1278.24  102.258  1456.18  144.260  1098.54  144.971  338.737   17.110  293.222   19.917 45.51450 26.25669 
1 1 1  -12   14   22 o  101.896   16.748  134.701   41.135  146.568   71.708  128.880   50.220  104.563   27.203   98.754   21.010 5.809776 34.37195 
1 1 1  -12   14   23 o  165.213   15.072  347.366   61.500  335.121   99.476  354.942   78.245  159.389   25.880  166.057   19.224 -6.667999 32.23907 
1 1 1  -12   14   24 o  194.225   15.338  479.380   73.785  335.909  111.306  591.851   98.550  158.471   29.203  215.134   18.525 -56.66364 34.58272 
1 1 1  -12   14   25 o  201.345   11.029  510.768   55.240  509.605   77.177  511.991   79.101  200.229   15.557  200.617   15.920 -0.3881531 22.25937 
1 1 1  -12   14   26 o  285.111   12.095  1022.50   86.116  1035.50  121.283  1009.28  122.296  285.383   17.097  281.620   17.476 3.762909 24.44862 
1 1 1  -12   14   27 o  304.437   11.355  1164.91   86.322  1114.30  121.584  1216.35  122.577  296.225   16.502  309.713   15.903 -13.48816 22.91722 
1 1 1  -12   14   28 o  246.533   11.845  764.481   72.920  847.506  102.997  681.045  103.251  258.310   16.047  230.910   18.050 27.39989 24.15138 
1 1 1  -12   14   29 o  127.191   11.214  204.910   35.254  228.325   48.670  179.064   51.133  133.644   14.834  117.447   18.009 16.19663 23.33182 
1 1 1  -12   14   30 o  252.344   11.419  800.860   71.958  749.142  101.391  853.346  102.141  242.475   16.850  259.148   15.860 -16.67407 23.13953 
1 1 1  -12   14   31 o  366.565   17.098  1706.42  156.508  1457.01  278.200  1821.90  189.306  329.016   34.367  377.026   20.180 -48.01001 39.85410 
1 1 1  -12   14   32 o  123.542   15.923  196.619   47.979   77.302  111.728  223.597   53.127   89.712   34.830  131.727   16.514 -42.01515 38.54688 
1 1 1  -12   14   33 o  233.942   15.235  696.981   88.519  469.665  170.264  781.180  103.625  182.116   38.636  247.187   16.889 -65.07108 42.16581 
1 1 1  -12   14   34 o  302.605   28.060  1220.73  209.626   0.0000   0.0000  1220.73  209.626  ?   ?   302.605   28.060 0.000000 28.06003 
1 1 1  -12   14   35 o  209.664   20.685  574.228  106.887  560.812  162.977  584.354  141.592  200.202   33.803  207.862   27.990 -7.660248 43.88694 
1 1 1  -12   14   36 o  121.582   16.786  193.004   49.606  187.718  132.310  193.868   53.509  114.898   38.823  121.405   18.212 -6.506897 42.88186 
1 1 1  -12   14   37 o  234.237   20.352  722.171  117.864  794.005  182.320  670.595  154.486  237.661   31.496  220.200   28.783 17.46075 42.66723 
1 1 1  -12   14   38 o   95.372   18.151  121.951   41.649  180.291  143.611  116.593   43.520  111.017   40.226   92.806   19.403 18.21056 44.66058 
1 1 1  -12   14   39 o  112.762   17.074  168.841   46.573  115.453  155.399  174.110   48.817   98.458   40.122  114.308   17.672 -15.84969 43.84117 
1 1 1  -12   14   40 o   98.443   17.823  130.663   42.201  227.051  157.747  123.233   43.797  117.625   42.220   95.051   19.114 22.57378 46.34539 
1 1 1  -12   14   41 o   64.297   20.555   55.333   37.285  217.715  168.699   46.993   38.231  114.178   43.182   60.725   20.864 53.45259 47.95823 
1 1 1  -12   14   42 o  138.064   16.255  253.134   54.970  225.599  188.846  255.683   57.458  113.672   44.939  138.398   16.982 -24.72517 48.04050 
1 1 1  -12   14   43 o  147.482   15.780  288.833   57.214  414.604  208.655  278.608   59.495  141.633   48.739  144.239   16.834 -2.606049 51.56414 
1 1 1  -12   14   44 o  110.200   18.093  166.753   48.062  145.637  212.034  167.897   49.347   98.861   43.688  110.328   18.571 -11.46750 47.47137 
1 1 1  -12   14   45 f   58.661   20.024   45.998   35.201 -14.5176  230.896   47.438   35.617   84.014   40.004   59.377   20.142 24.63756 44.78898 
1 1 1  -12   15    1 o  324.356   12.318  1324.62   99.772  1350.69  140.130  1297.81  142.088  325.788   17.286  319.111   17.903 6.677124 24.88638 
1 1 1  -12   15    2 o  296.696   11.437  1106.77   84.737  1108.35  118.771  1105.14  120.932  295.470   16.158  294.941   16.485 0.5291138 23.08362 
1 1 1  -12   15    3 o  190.442   9.8187  456.273   46.536  443.491   64.189  470.433   67.564  187.052   13.840  192.617   14.145 -5.565292 19.79007 
1 1 1  -12   15    4 o  414.457   14.306  2166.51  148.063  2214.30  208.779  2118.16  210.012  416.988   20.050  407.072   20.728 9.916046 28.83843 
1 1 1  -12   15    5 o  157.993   9.6953  314.241   38.067  291.349   52.201  340.240   55.632  151.423   13.962  163.776   13.729 -12.35266 19.58164 
1 1 1  -12   15    6 o  170.943   9.7164  367.637   41.306  363.248   57.012  372.488   59.928  169.303   13.600  171.357   14.131 -2.053589 19.61199 
1 1 1  -12   15    7 o  325.180   11.951  1328.90   97.043  1290.18  136.172  1368.86  138.333  318.868   17.164  328.547   16.918 -9.679260 24.10066 
1 1 1  -12   15    8 o  253.970   10.763  809.540   68.261  819.903   95.285  798.616   97.837  254.530   15.058  251.050   15.685 3.480026 21.74301 
1 1 1  -12   15    9 o  141.292   13.560  253.545   47.258  295.938   68.789  215.653   65.034  151.727   18.541  128.610   20.973 23.11697 27.99321 
1 1 1  -12   15   10 o  174.535   19.231  390.970   82.427   0.0000   0.0000  390.970   82.427  ?   ?   174.535   19.231 0.000000 19.23116 
1 1 1  -12   15   11 o  240.746   21.553  743.938  128.202  743.938  128.202   0.0000   0.0000  240.746   21.553  ?   ?  0.000000 21.55295 
1 1 1  -12   15   12 o  175.392   13.680  389.552   59.444  391.751   86.178  387.557   82.104  174.480   20.149  173.757   19.245 0.7236481 27.86356 
1 1 1  -12   15   13 o   67.025   18.552   58.670   32.106   57.771   51.799   59.230   40.913   70.261   24.278   68.462   21.490 1.798141 32.42306 
1 1 1  -12   15   14 o  113.451   15.048  165.090   41.581  165.369   64.233  164.889   54.553  111.664   23.765  112.267   20.202 -0.6027908 31.19103 
1 1 1  -12   15   15 o  269.713   12.743  915.003   85.829  912.637  106.026  919.502  146.188  268.365   15.892  267.571   22.076 0.7936401 27.20094 
1 1 1  -12   15   16 o  114.325   11.728  165.921   33.009  154.957   41.423  184.995   54.636  109.740   15.551  119.336   18.969 -9.596581 24.52834 
1 1 1  -12   15   17 o  251.353   12.365  794.500   77.611  792.527   95.851  798.258  132.255  250.088   15.423  249.310   21.452 0.7778320 26.42113 
1 1 1  -12   15   18 o  123.938   15.071  196.620   45.686  214.299   73.005  185.241   58.571  127.383   23.826  119.043   20.439 8.339676 31.39197 
1 1 1  -12   15   19 o  168.372   14.015  359.709   58.390  413.048   89.386  320.007   77.118  179.021   20.357  157.374   20.081 21.64699 28.59433 
1 1 1  -12   15   20 o  345.583   18.120  1519.00  155.825  1519.98  223.928  1518.08  216.977  342.214   26.408  342.408   25.560 -0.1933899 36.75169 
1 1 1  -12   15   21 o  257.246   15.816  839.509  101.111  823.571  149.707  852.877  137.107  252.196   24.063  257.591   21.511 -5.395554 32.27665 
1 1 1  -12   15   22 o  374.630   19.681  1790.92  183.471  1523.37  262.111  2047.94  256.902  339.883   31.231  397.555   26.021 -57.67224 40.65071 
1 1 1  -12   15   23 o  207.300   15.050  545.457   77.378  490.486  116.632  588.674  103.414  193.837   24.653  214.237   19.545 -20.40009 31.46089 
1 1 1  -12   15   24 o  263.517   11.454  872.838   75.372  915.098  105.598  828.949  107.616  268.566   15.815  255.255   16.980 13.31088 23.20421 
1 1 1  -12   15   25 o  122.852   11.418  191.308   34.628  166.589   47.314  219.823   50.818  113.417   17.249  130.923   15.867 -17.50665 23.43738 
1 1 1  -12   15   26 o  214.453   11.067  579.389   59.063  579.209   82.588  579.576   84.502  213.488   15.599  213.467   15.968 0.2058411E-01 22.32281 
1 1 1  -12   15   27 o  229.255   11.446  660.771   65.529  665.129   91.924  656.269   93.439  228.676   16.202  227.038   16.596 1.637680 23.19356 
1 1 1  -12   15   28 f  256.467   11.031  826.652   70.648  822.339   99.069  831.114  100.774  254.495   15.665  255.802   15.854 -1.307343 22.28752 
1 1 1  -12   15   29 o  248.100   11.554  774.230   71.584  827.613  101.064  720.484  101.407  255.191   15.939  237.687   17.201 17.50470 23.45061 
1 1 1  -12   15   30 o  290.946   13.163  1067.41   95.633  1059.68  134.485  1075.31  136.019  287.846   18.813  289.942   18.889 -2.096344 26.65961 
1 1 1  -12   15   31 o  301.435   12.584  1145.32   94.721  1129.73  133.760  1161.00  134.153  297.364   18.099  301.542   17.896 -4.177979 25.45273 
1 1 1  -12   15   32 f   92.008   13.275  109.024   29.618   70.162   39.693  157.838   44.487   72.995   20.779  110.278   16.675 -37.28304 26.64225 
1 1 1  -12   15   33 o  198.810   15.240  504.410   75.085  240.786  148.935  594.246   86.942  130.420   41.013  215.568   16.271 -85.14803 44.12259 
1 1 1  -12   15   34 o  245.588   17.727  775.589  107.985   0.0000   0.0000  775.589  107.985  ?   ?   245.588   17.727 0.000000 17.72703 
1 1 1  -12   15   35 o  183.592   31.083  466.743  137.419   0.0000   0.0000  466.743  137.419  ?   ?   183.592   31.083 0.000000 31.08292 
1 1 1  -12   15   36 o  226.840   14.093  657.982   79.438  809.633  168.757  614.815   90.037  243.591   28.268  218.227   16.647 25.36383 32.80610 
1 1 1  -12   15   37 o  219.297   15.391  619.964   83.753  473.689  173.507  664.402   95.633  176.080   40.327  226.260   17.051 -50.18030 43.78384 
1 1 1  -12   15   38 o  122.481   16.861  197.633   50.203  212.671  146.810  195.642   53.424  117.772   40.862  121.349   18.190 -3.576889 44.72823 
1 1 1  -12   15   39 o  164.550   15.274  352.660   62.047  146.926  160.070  389.038   67.309  104.031   41.296  172.652   15.787 -68.62077 44.21017 
1 1 1  -12   15   40 o  220.834   22.184  663.785  120.680  755.755  195.375  607.049  153.454  221.340   36.629  203.333   31.220 18.00722 48.12801 
1 1 1  -12   15   41 f  130.864   19.700  232.713   62.382  322.213  181.093  220.663   66.449  133.316   45.417  126.220   21.874 7.095512 50.41055 
1 1 1  -12   15   42 o   59.904   20.528   46.151   36.997 -17.4959  181.991   48.895   37.786   82.386   38.003   61.262   20.747 21.12365 43.29750 
1 1 1  -12   15   43 o  121.301   17.114  198.370   50.400  358.146  206.053  188.203   51.979  131.848   48.121  117.495   18.313 14.35305 51.48737 
1 1 1  -12   15   44 o   76.377   20.155   82.785   39.001  255.587  215.728   76.947   39.654  112.077   46.629   73.569   20.708 38.50764 51.02032 
1 1 1  -12   15   45 o  107.682   18.909  162.037   48.991  321.326  236.464  154.893   50.078  115.449   48.482  104.658   19.888 10.79113 52.40311 
1 1 1  -12   16    1 o  498.398   16.664  3153.71  207.399  3265.72  292.794  3040.92  293.822  503.209   23.300  484.316   24.372 18.89264 33.71816 
1 1 1  -12   16    2 o  187.738   9.8718  443.797   46.118  379.394   62.940  518.462   67.769  172.610   14.743  202.258   13.495 -29.64761 19.98710 
1 1 1  -12   16    3 o  174.250   9.7722  382.355   42.350  386.950   58.234  377.196   61.702  174.640   13.457  172.194   14.484 2.445526 19.77023 
1 1 1  -12   16    4 f  141.191   9.7655  251.396   34.220  266.513   46.704  233.875   50.281  144.846   13.052  135.191   15.155 9.654984 20.00068 
1 1 1  -12   16    5 o  382.023   13.369  1839.78  127.535  1761.91  179.263  1919.58  181.480  371.424   19.395  388.448   18.709 -17.02393 26.94745 
1 1 1  -12   16    6 o  348.399   12.596  1528.21  109.587  1517.74  154.002  1538.95  155.977  345.304   17.921  347.676   18.027 -2.371857 25.41953 
1 1 1  -12   16    7 o  288.540   11.357  1046.42   81.830  1046.27  114.546  1046.56  116.941  287.152   16.038  287.094   16.379 0.5816650E-01 22.92390 
1 1 1  -12   16    8 o  366.809   13.071  1694.45  119.728  1632.38  168.341  1757.99  170.318  357.891   18.903  372.090   18.330 -14.19852 26.33081 
1 1 1  -12   16    9 o  317.272   11.997  1265.85   95.049  1236.38  133.529  1296.12  135.329  311.934   17.209  319.461   17.025 -7.526733 24.20727 
1 1 1  -12   16   10 o  287.573   13.374  1041.65   96.038  1078.09  116.012  962.285  171.198  291.593   15.993  272.225   25.480 19.36847 30.08355 
1 1 1  -12   16   11 o  290.050   11.330  1057.02   82.063  1028.21  114.731  1087.21  117.426  284.700   16.205  292.802   16.122 -8.101837 22.85852 
1 1 1  -12   16   12 f  137.432   10.236  238.324   34.877  253.794   47.583  220.364   51.271  141.289   13.657  131.100   15.992 10.18892 21.02988 
1 1 1  -12   16   13 o  185.122   11.360  432.174   52.260  432.811   65.575  431.065   86.515  184.721   14.328  183.222   19.194 1.499069 23.95175 
1 1 1  -12   16   14 o  568.489   26.355  4172.31  374.138  4251.23  530.559  4094.26  527.674  562.988   37.960  551.885   38.530 11.10278 54.08814 
1 1 1  -12   16   15 o  501.159   23.764  3223.04  297.398  3116.09  421.692  3328.87  419.485  484.059   35.125  501.597   33.685 -17.53766 48.66658 
1 1 1  -12   16   16 o  131.042   14.802  219.390   47.588  257.842   74.510  192.900   61.845  140.483   21.958  121.305   21.187 19.17826 30.51319 
1 1 1  -12   16   17 o  288.439   16.330  1055.79  117.140  1022.43  168.380  1087.08  163.071  281.136   24.220  290.569   22.653 -9.432220 33.16288 
1 1 1  -12   16   18 f  163.316   14.651  339.217   59.117  190.014   87.478  464.637   80.203  118.530   29.634  190.804   17.011 -72.27388 34.16903 
1 1 1  -12   16   19 o  255.324   15.630  826.971   99.174  764.792  143.746  883.453  137.004  242.900   24.013  262.277   21.096 -19.37735 31.96371 
1 1 1  -12   16   20 o  475.595   22.700  2898.36  269.602  2934.90  384.261  2862.93  378.357  471.072   32.871  465.318   32.771 5.754456 46.41599 
1 1 1  -12   16   21 o  374.863   19.208  1792.18  179.202  1782.60  257.292  1801.20  249.735  369.495   28.095  372.006   27.069 -2.511108 39.01355 
1 1 1  -12   16   22 o  107.725   11.991  147.736   31.711  165.011   43.456  128.061   46.378  113.180   15.807   98.662   19.515 14.51807 25.11376 
1 1 1  -12   16   23 o  156.317   10.751  308.355   41.713  322.479   57.986  293.208   60.049  159.150   14.758  151.398   16.132 7.752655 21.86396 
1 1 1  -12   16   24 o  310.228   12.918  1212.15  100.078  1346.26  140.979  1075.93  142.091  325.348   17.415  289.977   19.740 35.37048 26.32415 
1 1 1  -12   16   25 o  111.580   11.713  158.258   32.150  163.948   43.816  151.621   47.321  112.754   16.011  107.851   18.220 4.902451 24.25512 
1 1 1  -12   16   26 f  275.910   11.833  957.604   81.527  1006.29  114.505  907.544  116.106  281.433   16.364  266.881   17.519 14.55182 23.97235 
1 1 1  -12   16   27 o  260.589   12.013  854.514   78.172  862.863  109.889  845.961  111.227  260.322   16.997  257.632   17.390 2.689117 24.31747 
1 1 1  -12   16   28 o  210.713   11.150  559.724   58.459  584.898   81.504  533.050   83.896  214.521   15.315  204.428   16.577 10.09306 22.56882 
1 1 1  -12   16   29 o  225.362   11.226  638.686   63.179  644.257   88.518  632.900   90.204  225.015   15.855  222.889   16.320 2.125763 22.75315 
1 1 1  -12   16   30 o  223.251   12.021  629.392   66.770  622.885   93.443  636.181   95.443  220.833   17.077  223.136   17.263 -2.303436 24.28270 
1 1 1  -12   16   31 f   92.562   13.275  110.278   29.807   97.113   39.164  128.404   45.951   85.646   18.825   98.653   19.344 -13.00761 26.99186 
1 1 1  -12   16   32 o  267.704   12.460  904.158   83.297  882.605  117.412  925.998  118.192  262.440   18.025  268.965   17.696 -6.525208 25.25949 
1 1 1  -12   16   33 o  330.445   16.926  1395.70  139.205  1131.88  251.700  1511.96  167.085  286.059   36.035  342.627   19.610 -56.56760 41.02492 
1 1 1  -12   16   35 o  303.610   28.805  1249.20  215.775   0.0000   0.0000  1249.20  215.775  ?   ?   303.610   28.805 0.000000 28.80467 
1 1 1  -12   16   36 o  472.770   19.962  2909.76  235.667  3005.43  421.931  2866.38  284.116  456.899   37.306  463.797   24.619 -6.897339 44.69712 
1 1 1  -12   16   37 o  190.391   15.504  468.630   73.073  476.851  164.556  466.610   81.555  177.986   38.168  189.120   17.466 -11.13316 41.97504 
1 1 1  -12   16   38 o  113.228   17.712  170.436   48.439   59.491  140.026  185.517   51.626   87.883   37.128  118.082   18.084 -30.19817 41.29800 
1 1 1  -12   16   39 o  211.739   15.894  584.498   83.426  464.032  183.896  615.716   93.613  166.626   43.667  216.411   17.471 -49.78537 47.03271 
1 1 1  -12   16   40 o  189.268   16.859  471.954   78.848  200.941  183.913  532.986   87.276  112.547   44.395  200.760   17.586 -88.21339 47.75083 
1 1 1  -12   16   41 o  247.543   16.102  804.251   98.998  716.236  217.997  827.119  111.116  204.455   44.001  249.598   17.947 -45.14299 47.52047 
1 1 1  -12   16   42 o   57.166   20.774   38.965   38.341   84.083  173.768   36.656   39.310   92.227   40.188   56.523   20.953 35.70400 45.32160 
1 1 1  -12   16   43 o  156.361   16.556  326.428   63.662  365.939  203.123  322.124   67.040  133.342   47.904  154.633   17.679 -21.29146 51.06225 
1 1 1  -12   16   44 o  101.893   33.733  171.293   99.951  311.870  215.432  132.733  112.830  119.676   47.781   92.013   35.191 27.66351 59.34136 
1 1 1  -12   16   45 o  134.895   33.746  306.032  113.390  801.700  251.491  179.561  127.035  188.626   51.805  100.158   37.559 88.46777 63.98793 
1 1 1  -12   17    1 o  441.958   15.123  2475.50  166.900  2452.15  234.989  2499.28  237.090  436.545   21.556  440.728   21.542 -4.183746 30.47507 
1 1 1  -12   17    2 o  309.749   17.693  1225.64  136.290  1425.15  189.816  1013.31  195.811  331.535   23.071  276.401   28.792 55.13480 36.89507 
1 1 1  -12   17    3 o  135.081   15.678  234.255   51.900  207.637   65.676  278.522   84.696  125.477   21.748  144.984   24.250 -19.50644 32.57341 
1 1 1  -12   17    4 o  332.075   12.362  1389.61  102.512  1399.54  143.898  1379.37  146.073  331.322   17.454  328.760   17.860 2.561859 24.97206 
1 1 1  -12   17    5 o  185.109   9.8129  431.456   45.199  395.333   62.061  472.255   65.957  176.339   14.214  192.927   13.781 -16.58862 19.79817 
1 1 1  -12   17    6 o  151.529   9.8204  289.472   36.960  277.006   50.366  304.017   54.405  147.508   13.835  154.502   14.262 -6.994080 19.86984 
1 1 1  -12   17    7 o   85.921   12.034   94.693   25.113   90.635   33.600   99.829   37.799   83.104   16.769   87.087   17.977 -3.982048 24.58389 
1 1 1  -12   17    8 o   85.082   12.415   93.024   25.601   86.982   34.242  100.684   38.552   81.286   17.394   87.428   18.248 -6.142174 25.21023 
1 1 1  -12   17    9 o  191.140   11.759  461.310   55.857  467.290   94.034  458.049   69.434  190.384   20.082  189.853   14.761 0.5303802 24.92370 
1 1 1  -12   17   10 o  371.549   15.195  1745.15  140.984  1692.68  172.544  1850.54  244.549  364.181   19.039  377.296   26.116 -13.11560 32.31947 
1 1 1  -12   17   11 o  540.340   17.685  3706.38  238.631  3684.90  336.734  3728.05  338.222  534.240   25.241  537.384   25.204 -3.144104 35.66962 
1 1 1  -12   17   12 o  245.571   10.670  757.509   65.431  744.142   90.940  771.856   94.212  242.213   15.111  246.632   15.374 -4.419144 21.55637 
1 1 1  -12   17   13 o  332.709   12.323  1393.19  102.380  1372.49  143.572  1414.61  146.034  328.439   17.569  333.441   17.601 -5.001892 24.86853 
1 1 1  -12   17   14 o  496.657   16.319  3122.97  202.395  3065.30  285.252  3181.44  287.219  488.513   23.383  497.846   23.103 -9.333832 32.87117 
1 1 1  -12   17   15 o  354.296   12.805  1580.79  113.291  1568.97  158.531  1593.13  161.960  351.018   18.148  353.619   18.405 -2.601105 25.84698 
1 1 1  -12   17   16 o  188.564   10.454  447.850   49.032  480.758   67.817  411.806   70.973  194.729   14.040  179.726   15.980 15.00285 21.27217 
1 1 1  -12   17   17 o  292.751   11.729  1077.83   85.746  1104.70  119.945  1049.75  122.624  294.947   16.349  287.246   17.174 7.700867 23.71137 
1 1 1  -12   17   18 o  212.706   10.482  568.190   55.679  574.998   77.670  560.993   79.860  212.896   14.700  210.130   15.325 2.765747 21.23497 
1 1 1  -12   17   19 o  142.951   10.488  257.988   37.176  282.185   50.944  230.424   54.374  148.955   13.855  133.893   16.620 15.06232 21.63713 
1 1 1  -12   17   20 o  162.156   10.796  331.782   43.468  399.315   60.287  258.654   62.734  177.434   13.713  141.599   18.160 35.83545 22.75569 
1 1 1  -12   17   21 o  340.786   12.643  1462.43  107.589  1527.57  150.955  1395.18  153.382  346.533   17.501  330.722   18.648 15.81119 25.57410 
1 1 1  -12   17   22 o  185.314   10.691  432.815   49.266  474.749   68.251  387.197   71.186  193.442   14.229  174.069   16.577 19.37314 21.84602 
1 1 1  -12   17   23 o  249.258   10.915  780.708   67.943  835.901   95.045  723.031   97.161  256.803   14.885  238.379   16.422 18.42397 22.16405 
1 1 1  -12   17   24 o  210.326   10.919  557.358   57.152  538.809   79.224  577.487   82.528  205.838   15.527  213.115   15.616 -7.277084 22.02163 
1 1 1  -12   17   25 o   94.655   12.709  114.816   29.282  121.024   39.485  107.230   43.651   96.329   17.038   90.006   19.945 6.322868 26.23172 
1 1 1  -12   17   26 o  125.221   11.627  198.898   35.943  193.136   48.868  205.689   53.053  122.430   16.396  126.202   17.289 -3.771454 23.82676 
1 1 1  -12   17   27 o  336.429   13.570  1427.80  114.007  1584.59  160.689  1268.87  161.776  352.495   18.318  314.391   20.722 38.10443 27.65793 
1 1 1  -12   17   28 o  289.011   12.793  1052.70   92.332  1147.09  130.034  956.716  131.127  300.019   17.431  273.254   19.342 26.76550 26.03746 
1 1 1  -12   17   29 o  128.452   11.670  209.339   37.025  204.633   49.922  215.091   55.196  126.054   16.237  128.954   17.600 -2.900627 23.94572 
1 1 1  -12   17   30 f  247.758   11.905  773.124   73.656  770.151  103.000  776.236  105.370  245.658   16.893  246.526   17.224 -0.8682404 24.12563 
1 1 1  -12   17   31 o  122.679   12.319  191.624   37.230  190.336   50.356  193.176   55.290  121.187   17.116  121.663   18.805 -0.4753647 25.42829 
1 1 1  -12   17   32 o  142.356   11.753  257.191   41.406  247.745   56.192  268.414   61.249  138.595   16.564  144.117   17.369 -5.521866 24.00100 
1 1 1  -12   17   33 o  154.178   12.033  301.924   45.963  254.414   67.043  344.059   63.136  139.357   19.824  163.738   15.631 -24.38057 25.24520 
1 1 1  -12   17   34 o  197.591   16.956  503.162   82.852   0.0000   0.0000  503.162   82.852  ?   ?   197.591   16.956 0.000000 16.95564 
1 1 1  -12   17   35 o   84.868   33.031   74.388  100.673   0.0000   0.0000   74.388  100.673  ?   ?    84.868   33.031 0.000000 33.03108 
1 1 1  -12   17   36 o  255.074   19.936  852.947  125.975  1285.16  189.402  510.054  168.700  309.628   24.701  185.682   37.671 123.9455 45.04703 
1 1 1  -12   17   37 o  268.058   15.558  927.563  103.697  851.525  202.608  954.550  120.704  242.182   34.475  270.478   17.973 -28.29622 38.87839 
1 1 1  -12   17   38 o   41.833   17.784   2.7524   32.454 -49.6389  128.095   6.3461   33.549   69.964   32.130   43.622   18.287 26.34265 36.96976 
1 1 1  -12   17   39 o  175.416   16.203  403.154   70.174  284.205  165.960  429.051   77.437  129.751   43.482  180.365   17.409 -50.61409 46.83747 
1 1 1  -12   17   40 o  100.289   19.701  137.828   47.579  183.834  155.780  133.095   49.967  108.457   41.381   97.955   21.054 10.50291 46.42885 
1 1 1  -12   17   41 o  220.032   16.597  638.469   90.525  471.803  204.304  679.183  100.979  158.601   47.703  225.891   18.052 -67.28937 51.00484 
1 1 1  -12   17   42 f  106.704   20.474  158.146   52.571  220.285  178.038  152.211   55.024  112.210   43.856  103.923   21.894 8.286484 49.01678 
1 1 1  -12   17   43 o  204.375   19.758  570.453   99.580  366.522  222.208  621.699  111.391  130.318   49.494  211.948   21.336 -81.63052 53.89660 
1 1 1  -12   17   44 o  123.687   18.382  210.126   55.050  175.475  213.522  212.594   56.976  101.690   44.423  124.054   18.997 -22.36414 48.31441 
1 1 1  -12   18    1 o  300.550   11.817  1139.01   88.687  1144.19  123.744  1133.53  127.173  299.371   16.618  297.747   17.177 1.624268 23.89964 
1 1 1  -12   18    2 o  316.380   12.235  1262.69   96.667  1329.43  135.402  1193.30  138.051  322.744   16.859  305.178   18.198 17.56580 24.80671 
1 1 1  -12   18    3 f  188.611   9.9561  448.351   46.727  399.256   63.714  505.487   68.734  176.996   14.544  199.456   13.886 -22.46021 20.10873 
1 1 1  -12   18    4 o  179.348   15.200  410.467   67.434  408.768   88.238  412.854  104.559  177.509   20.269  177.000   24.297 0.5087891 31.64143 
1 1 1  -12   18    5 o  439.339   21.455  2480.99  235.387  2435.14  330.136  2528.40  335.710  427.643   31.128  435.862   31.046 -8.218414 43.96404 
1 1 1  -12   18    6 o  135.417   10.161  231.713   34.110  211.467   46.081  256.251   50.730  128.488   14.622  141.609   14.553 -13.12048 20.63004 
1 1 1  -12   18    7 o  195.762   10.072  482.719   49.072  486.556   67.657  478.460   71.282  195.766   13.930  193.907   14.833 1.859039 20.34917 
1 1 1  -12   18    8 o  292.449   16.669  1089.06  121.230   0.0000   0.0000  1089.06  121.230  ?   ?   292.449   16.669 0.000000 16.66908 
1 1 1  -12   18    9 o  269.301   15.592  921.459  104.404  921.459  104.404   0.0000   0.0000  269.301   15.592  ?   ?  0.000000 15.59162 
1 1 1  -12   18   10 o  183.030   10.018  421.958   45.616  407.555   62.499  438.376   66.728  179.101   14.088  185.696   14.505 -6.595123 20.22043 
1 1 1  -12   18   11 o  320.017   12.037  1289.35   96.189  1290.45  134.669  1288.21  137.436  318.416   16.998  318.006   17.372 0.4099426 24.30494 
1 1 1  -12   18   12 o  172.931   10.098  376.819   43.417  364.002   59.670  391.240   63.292  169.186   14.256  175.373   14.584 -6.186493 20.39486 
1 1 1  -12   18   13 o  169.887   10.340  363.856   43.657  396.505   60.343  327.997   63.241  176.738   13.781  160.156   16.028 16.58206 21.13801 
1 1 1  -12   18   14 o  436.289   14.995  2406.66  163.369  2408.65  229.945  2404.64  232.148  433.763   21.229  433.286   21.455 0.4767761 30.18261 
1 1 1  -12   18   15 f  223.677   10.380  628.448   57.977  606.537   80.080  652.584   84.049  218.598   14.756  226.736   14.928 -8.138397 20.99011 
1 1 1  -12   18   16 o  316.961   12.181  1264.76   96.413  1256.08  134.440  1273.94  138.339  314.149   17.203  316.246   17.587 -2.096405 24.60148 
1 1 1  -12   18   17 o  173.277   10.233  378.360   44.083  356.253   60.053  404.194   64.916  167.332   14.515  178.268   14.714 -10.93633 20.66882 
1 1 1  -12   18   18 o  220.810   10.760  612.686   59.329  616.826   82.077  608.156   85.858  220.402   15.002  218.634   15.833 1.767914 21.81152 
1 1 1  -12   18   19 f  178.471   10.515  401.505   46.655  402.994   64.027  399.820   68.123  178.044   14.527  177.105   15.561 0.9382477 21.28825 
1 1 1  -12   18   20 o  102.928   12.126  135.152   30.570  149.380   41.444  118.173   45.275  107.515   15.917   94.574   19.805 12.94099 25.40889 
1 1 1  -12   18   21 o  117.058   11.233  173.836   32.433  152.143   43.510  200.963   48.655  108.370   16.607  125.021   15.948 -16.65088 23.02463 
1 1 1  -12   18   22 o  183.186   10.449  422.872   47.599  421.530   65.108  424.414   69.764  182.140   14.433  182.536   15.450 -0.3963318 21.14244 
1 1 1  -12   18   23 o  175.054   10.712  386.473   46.603  409.606   63.907  360.201   68.106  179.538   14.375  167.820   16.463 11.71829 21.85564 
1 1 1  -12   18   24 o  321.296   12.921  1300.97  103.672  1373.12  145.558  1226.69  147.695  328.260   17.824  309.709   19.191 18.55121 26.19148 
1 1 1  -12   18   25 f  373.388   13.926  1759.83  129.844  1785.62  182.450  1733.36  184.828  373.646   19.623  367.863   20.197 5.782471 28.15991 
1 1 1  -12   18   26 o  264.254   12.044  879.134   79.479  958.219  111.203  796.549  113.637  274.486   16.297  249.544   18.365 24.94209 24.55289 
1 1 1  -12   18   27 o  364.192   14.007  1675.04  127.383  1837.27  179.863  1511.77  180.434  379.633   18.973  342.902   21.175 36.73010 28.43143 
1 1 1  -12   18   28 o  162.790   11.338  334.997   45.803  381.495   62.997  282.855   66.712  173.082   14.715  147.943   18.459 25.13899 23.60657 
1 1 1  -12   18   29 o  144.890   11.406  265.818   40.935  263.024   55.382  269.182   60.773  143.227   15.744  144.561   17.171 -1.334732 23.29621 
1 1 1  -12   18   30 o  272.948   12.535  939.687   85.439  1014.31  119.770  862.359  121.918  281.874   17.096  259.154   18.971 22.71948 25.53770 
1 1 1  -12   18   31 o  154.385   11.879  302.229   45.444  305.007   62.348  299.081   66.375  154.030   16.465  152.141   17.808 1.888763 24.25259 
1 1 1  -12   18   32 o  153.194   15.761  301.459   59.435  215.877  131.822  323.296   66.587  123.791   38.529  158.314   17.115 -34.52371 42.15954 
1 1 1  -12   18   33 o  132.149   16.152  225.875   52.194  225.875   52.194   0.0000   0.0000  132.149   16.152  ?   ?  0.000000 16.15240 
1 1 1  -12   18   34 o   87.060   14.139   98.732   29.685   83.984   39.274  118.386   45.337   79.058   19.906   93.996   19.933 -14.93781 28.17067 
1 1 1  -12   18   35 o  137.332   35.537  276.053  122.808   0.0000   0.0000  276.053  122.808  ?   ?   137.332   35.537 0.000000 35.53738 
1 1 1  -12   18   36 o  166.215   24.070  374.443   97.000  474.027  146.895  297.446  129.167  181.125   33.718  141.088   36.415 40.03757 49.62799 
1 1 1  -12   18   37 o  261.987   15.616  887.701  101.703  1071.34  203.810  826.811  117.360  275.688   30.093  250.826   18.875 24.86174 35.52288 
1 1 1  -12   18   38 o  169.926   15.511  376.197   65.092  429.845  152.900  364.322   71.936  166.498   37.656  166.223   17.598 0.2753448 41.56556 
1 1 1  -12   18   39 f   86.615   20.604  103.800   43.917  135.981  140.247  100.302   46.243   99.349   38.898   84.826   21.733 14.52346 44.55708 
1 1 1  -12   18   40 o  130.226   17.133  225.916   54.363  222.946  158.077  226.314   57.895  115.596   42.154  129.751   18.382 -14.15508 45.98792 
1 1 1  -12   18   41 o  113.458   18.700  174.954   51.135   10.897  165.984  192.157   53.750   82.966   37.505  119.011   18.703 -36.04488 41.90961 
1 1 1  -12   18   42 o   51.120   19.912   25.130   36.607   42.254  171.288   24.310   37.472   86.298   38.630   51.151   20.083 35.14653 43.53820 
1 1 1  -12   18   43 o   98.090   22.443  138.099   53.783  -9.6657  191.094  150.811   56.049   82.587   38.389  102.579   22.499 -19.99208 44.49679 
1 1 1  -12   18   44 o  160.547   17.876  350.758   70.451  456.723  230.753  339.866   73.984  138.585   50.871  156.990   19.277 -18.40524 54.40089 
1 1 1  -12   19    1 o  256.706   10.898  830.186   69.859  801.070   96.858  861.752  100.853  250.555   15.557  259.885   15.613 -9.330704 22.04049 
1 1 1  -12   19    2 o  114.461   10.796  166.413   30.493  160.666   40.148  174.249   46.878  111.619   14.766  115.837   16.688 -4.217735 22.28267 
1 1 1  -12   19    3 o   69.042   14.222   62.534   23.704   71.737   30.671   48.885   37.352   73.607   17.025   62.738   20.614 10.86958 26.73552 
1 1 1  -12   19    4 o   71.222   13.845   66.316   23.736   77.195   30.893   50.639   37.086   76.459   16.652   63.498   20.521 12.96103 26.42694 
1 1 1  -12   19    5 o  288.195   11.575  1046.60   83.301  1054.05  116.141  1038.70  119.542  287.517   16.242  285.180   16.861 2.338074 23.41186 
1 1 1  -12   19    6 o  294.993   11.625  1096.42   85.635  1122.09  119.564  1069.39  122.708  296.754   16.196  289.361   17.057 7.392212 23.52122 
1 1 1  -12   19    7 o  262.917   24.021  902.397  155.965   0.0000   0.0000  902.397  155.965  ?   ?   262.917   24.021 0.000000 24.02051 
1 1 1  -12   19    8 o  158.133   15.254  319.712   59.487  317.142   77.001  323.517   93.689  156.129   20.225  156.182   24.855 -0.5364990E-01 32.04390 
1 1 1  -12   19    9 o  374.606   13.518  1772.49  126.457  1838.45  177.554  1704.58  180.148  379.513   18.735  364.442   19.870 15.07101 27.30947 
1 1 1  -12   19   10 o  229.350   10.512  661.318   60.203  657.173   83.344  665.841   87.058  227.417   14.755  228.761   15.328 -1.344162 21.27633 
1 1 1  -12   19   11 o  131.184   10.671  217.781   34.654  223.969   46.432  210.002   52.066  132.364   14.273  127.556   16.751 4.808769 22.00721 
1 1 1  -12   19   12 o  310.676   11.996  1215.70   93.068  1200.65  130.133  1231.45  133.155  306.945   17.045  310.803   17.224 -3.858307 24.23160 
1 1 1  -12   19   13 o  129.190   10.731  211.249   34.307  198.189   46.260  227.210   51.140  124.234   15.230  133.034   15.696 -8.800171 21.87070 
1 1 1  -12   19   14 o  107.640   11.764  147.551   31.107  137.634   41.841  159.806   46.513  102.845   16.877  110.881   17.369 -8.035919 24.21807 
1 1 1  -12   19   15 o  270.261   11.378  918.981   76.788  920.072  106.787  917.812  110.497  268.979   15.970  268.464   16.563 0.5155334 23.00801 
1 1 1  -12   19   16 o  154.413   10.542  301.022   40.405  328.935   54.896  268.022   59.687  160.838   13.802  144.376   16.874 16.46201 21.79909 
1 1 1  -12   19   17 o  323.295   12.077  1316.17   97.504  1291.42  135.768  1342.54  140.118  318.440   17.136  324.621   17.348 -6.181091 24.38439 
1 1 1  -12   19   18 o   78.732   14.845   80.878   28.115   96.721   37.626   60.850   42.306   85.637   18.158   69.206   21.871 16.43087 28.42596 
1 1 1  -12   19   19 o  300.487   11.874  1136.61   89.100  1044.24  123.663  1236.34  128.489  286.194   17.386  311.779   16.563 -25.58472 24.01206 
1 1 1  -12   19   20 o  242.562   10.756  739.539   65.151  719.482   89.762  761.870   94.714  238.004   15.182  244.834   15.572 -6.829956 21.74832 
1 1 1  -12   19   21 o  363.224   13.693  1665.11  124.197  1689.97  174.253  1639.44  177.064  363.550   19.263  357.777   19.897 5.773193 27.69365 
1 1 1  -12   19   22 o  153.220   10.908  296.598   41.462  294.163   56.350  299.471   61.225  151.782   15.066  152.878   16.288 -1.095490 22.18763 
1 1 1  -12   19   23 f   76.525   14.796   76.487   27.252   70.647   35.929   84.397   41.820   73.131   19.367   79.759   20.786 -6.628395 28.41039 
1 1 1  -12   19   24 o  435.928   15.272  2405.05  166.251  2396.15  233.355  2414.22  236.913  431.668   21.717  433.147   21.975 -1.478760 30.89561 
1 1 1  -12   19   25 o  422.657   15.088  2260.43  159.249  2343.72  223.900  2175.16  226.549  427.746   20.961  410.927   22.159 16.81879 30.50257 
1 1 1  -12   19   26 o  209.400   10.864  552.807   56.614  602.803   78.134  497.546   82.145  217.906   14.441  197.271   16.836 20.63496 22.18083 
1 1 1  -12   19   27 f  374.480   13.630  1770.81  127.460  1925.31  179.425  1613.42  181.098  388.650   18.487  354.382   20.552 34.26785 27.64371 
1 1 1  -12   19   28 o  115.139   12.457  169.029   35.246  173.657   47.231  163.212   52.948  115.769   16.830  111.433   19.751 4.335899 25.94891 
1 1 1  -12   19   29 o  326.882   12.946  1348.75  105.674  1422.93  148.415  1272.48  150.497  333.670   17.877  314.912   19.230 18.75732 26.25578 
1 1 1  -12   19   30 o  313.921   13.068  1244.95  102.442  1360.56  144.382  1127.75  145.372  326.101   17.797  295.954   19.784 30.14673 26.61111 
1 1 1  -12   19   31 o  281.486   13.011  1001.74   91.454  1080.07  128.042  920.174  130.670  290.233   17.752  266.972   19.740 23.26154 26.54821 
1 1 1  -12   19   32 o   76.210   15.020   76.304   27.569   60.557   35.090  101.699   44.561   67.805   19.610   87.061   20.784 -19.25606 28.57536 
1 1 1  -12   19   33 o  170.302   11.277  367.825   47.685  320.668   65.018  422.715   70.148  157.444   16.796  181.381   15.640 -23.93697 22.95062 
1 1 1  -12   19   34 o  140.264   12.431  251.315   43.089  219.975   60.082  284.504   61.829  129.112   19.221  147.917   17.051 -18.80458 25.69410 
1 1 1  -12   19   35 o  229.977   17.971  687.987  102.386  831.467  128.861  442.320  168.617  251.338   20.716  170.659   40.224 80.67923 45.24483 
1 1 1  -12   19   36 o  113.982   29.972  186.936   86.446  168.025  125.949  203.778  118.863  107.996   37.827  116.796   36.625 -8.800171 52.65192 
1 1 1  -12   19   37 o  153.590   15.876  307.878   60.012  326.410  138.426  303.588   66.596  145.010   37.830  151.618   17.937 -6.608124 41.86673 
1 1 1  -12   19   38 o  189.687   15.808  469.603   74.200  500.388  165.094  461.811   83.061  178.939   38.114  186.905   18.019 -7.966476 42.15905 
1 1 1  -12   19   39 o  170.584   15.719  381.366   66.208  428.010  162.511  372.083   72.498  161.375   40.415  167.496   17.596 -6.121140 44.07957 
1 1 1  -12   19   40 o  145.520   17.155  281.755   61.140  309.893  168.837  277.509   65.592  132.058   43.848  143.577   18.741 -11.51952 47.68512 
1 1 1  -12   19   41 o  126.056   18.064  214.419   55.239  225.039  164.056  213.061   58.664  113.996   42.695  124.948   19.433 -10.95135 46.90979 
1 1 1  -12   19   42 o   70.748   22.332   69.740   44.118   26.656  168.132   72.926   45.720   83.684   37.796   72.163   22.729 11.52093 44.10342 
1 1 1  -12   19   43 o   85.947   22.953  107.185   50.194 -29.5388  185.241  118.018   52.144   79.584   37.257   90.138   23.069 -10.55437 43.82114 
1 1 1  -12   19   44 o  268.026   20.329  996.178  135.048  1064.00  267.037  972.872  156.543  231.893   47.706  259.224   24.472 -27.33119 53.61676 
1 1 1  -12   20    1 o  159.643   13.726  325.357   54.188  295.183   75.842  356.824   77.450  149.860   20.829  165.624   19.075 -15.76350 28.24361 
1 1 1  -12   20    2 o  306.763   13.608  1192.17  104.239  1214.23  128.224  1149.18  179.002  308.030   16.732  295.591   24.470 12.43835 29.64405 
1 1 1  -12   20    3 o  203.445   10.257  522.264   51.944  549.363   70.879  490.824   76.345  207.820   13.735  195.812   15.746 12.00816 20.89491 
1 1 1  -12   20    4 o  117.922   10.717  176.525   31.214  187.394   41.143  161.783   47.915  120.879   13.882  111.213   17.857 9.666512 22.61832 
1 1 1  -12   20    5 o  266.092   11.118  892.099   73.877  873.817  101.932  912.328  107.226  261.752   15.666  267.306   16.139 -5.554626 22.49242 
1 1 1  -12   20    6 o  245.145   10.754  756.598   65.834  726.019   90.956  790.245   95.409  238.655   15.343  249.002   15.420 -10.34648 21.75284 
1 1 1  -12   20    7 o  278.890   13.376  983.401   93.155  1052.58  159.144  947.340  114.896  284.478   22.588  272.197   16.988 12.28043 28.26336 
1 1 1  -12   20    8 o  234.340   11.970  694.214   69.813  662.151   85.146  759.987  121.952  228.037   15.037  242.495   20.326 -14.45732 25.28361 
1 1 1  -12   20    9 o  104.619   13.770  140.704   35.100  154.787   39.316   85.408   77.905  109.598   14.739   84.336   29.734 25.26254 33.18645 
1 1 1  -12   20   10 o  196.890   15.731  494.990   76.698  603.260  102.642  358.102  115.412  216.374   19.196  162.570   29.516 53.80397 35.20888 
1 1 1  -12   20   11 o  297.390   17.399  1129.84  128.652  1174.69  175.349  1077.56  189.337  300.470   23.558  286.007   26.823 14.46295 35.69996 
1 1 1  -12   20   12 o  260.251   11.254  852.625   73.137  869.026  101.700  835.057  105.254  261.304   15.658  255.839   16.564 5.464478 22.79301 
1 1 1  -12   20   13 o  305.542   12.025  1176.42   91.747  1222.02  128.180  1128.52  131.379  309.690   16.635  297.145   17.787 12.54486 24.35408 
1 1 1  -12   20   14 o  255.191   11.118  819.478   70.854  843.827   98.290  793.138  102.231  257.615   15.348  249.377   16.510 8.238434 22.54196 
1 1 1  -12   20   15 o   91.104   13.130  106.831   29.008  128.161   38.545   78.973   44.050   99.305   16.094   77.312   21.848 21.99264 27.13641 
1 1 1  -12   20   16 o  177.603   10.655  398.010   47.036  397.960   64.126  398.068   69.202  176.771   14.659  176.500   15.871 0.2711029 21.60481 
1 1 1  -12   20   17 o  221.807   10.609  618.543   58.762  640.002   80.799  594.451   85.614  224.507   14.489  215.940   15.990 8.567169 21.57862 
1 1 1  -12   20   18 o  117.527   11.956  175.718   34.602  184.404   46.892  165.334   51.269  119.558   16.117  112.409   18.937 7.148682 24.86732 
1 1 1  -12   20   19 o  234.175   10.766  689.525   62.958  666.603   86.357  715.529   91.981  228.977   15.189  237.145   15.620 -8.167999 21.78709 
1 1 1  -12   20   20 o  501.466   16.414  3191.07  205.543  3136.91  288.939  3246.56  292.457  493.075   23.466  501.703   23.343 -8.627655 33.09949 
1 1 1  -12   20   21 o  293.105   12.160  1082.27   89.000  1133.94  124.016  1027.40  127.799  298.404   16.710  283.496   18.148 14.90851 24.66880 
1 1 1  -12   20   22 o  145.270   11.335  267.118   40.796  277.266   54.899  254.605   60.964  147.253   15.145  140.407   17.786 6.845978 23.36089 
1 1 1  -12   20   23 o  214.145   10.916  578.200   58.182  565.128   79.525  593.255   85.345  210.743   15.214  215.749   15.954 -5.006790 22.04500 
1 1 1  -12   20   24 o  162.177   11.195  332.458   45.061  377.131   61.279  279.861   66.492  172.126   14.389  147.092   18.512 25.03409 23.44623 
1 1 1  -12   20   25 o  199.292   11.271  501.375   55.861  495.621   76.093  508.102   82.267  197.166   15.582  199.352   16.679 -2.185532 22.82481 
1 1 1  -12   20   26 o  348.435   13.128  1532.35  114.230  1521.43  159.127  1543.96  164.078  344.887   18.544  347.238   18.994 -2.350861 26.54579 
1 1 1  -12   20   27 o  163.710   11.425  339.049   46.414  291.015   62.778  396.960   68.931  150.365   17.019  176.210   15.834 -25.84505 23.24560 
1 1 1  -12   20   28 o  237.394   11.712  710.102   69.430  691.015   95.616  731.392  100.981  232.572   16.572  239.156   17.020 -6.583359 23.75498 
1 1 1  -12   20   29 o  177.295   11.672  397.885   51.387  485.069   70.769  300.648   74.738  195.120   14.631  151.799   20.219 43.32120 24.95713 
1 1 1  -12   20   30 o  158.027   11.765  316.707   46.095  296.282   62.428  341.193   68.351  151.596   16.772  162.714   17.076 -11.11794 23.93514 
1 1 1  -12   20   31 o  277.733   13.579  977.428   94.180  906.099  150.351  1023.49  120.822  262.888   23.138  282.466   17.211 -19.57745 28.83747 
1 1 1  -12   20   32 o  195.445   15.475  489.903   74.912  489.903   74.912   0.0000   0.0000  195.445   15.475  ?   ?  0.000000 15.47534 
1 1 1  -12   20   33 o   61.852   16.525   50.747   26.009   40.137   33.219   67.552   41.809   57.406   19.452   71.477   21.598 -14.07112 29.06663 
1 1 1  -12   20   34 o   96.886   18.404  125.125   42.898  147.491   46.058 -21.3134  117.853  105.478   18.140   71.978   32.144 33.50040 36.90902 
1 1 1  -12   20   35 o  151.995   16.928  301.707   63.160  339.252   71.672  171.211  133.620  160.756   18.173  109.471   38.904 51.28522 42.93883 
1 1 1  -12   20   36 o   57.170   17.841   42.552   28.243   32.560   29.138  197.608  114.782   52.261   18.200  114.667   35.996 -62.40640 40.33561 
1 1 1  -12   20   37 o  153.091   16.301  307.259   61.361  412.497  149.909  286.078   67.253  162.980   37.599  146.527   18.815 16.45306 42.04384 
1 1 1  -12   20   38 o  122.765   17.280  200.617   51.507  254.363  136.247  191.656   55.636  125.186   39.204  119.023   19.386 6.162888 43.73557 
1 1 1  -12   20   39 o  292.411   16.287  1120.75  118.453  1117.90  228.984  1121.80  138.412  270.958   34.634  289.871   19.230 -18.91351 39.61485 
1 1 1  -12   20   40 o  106.397   19.241  154.904   49.240  194.480  151.716  150.244   52.059  108.998   41.012  104.044   20.764 4.954163 45.96885 
1 1 1  -12   20   41 o   52.810   20.513   27.402   38.769   35.497  157.472   26.879   40.000   83.646   37.269   53.071   20.775 30.57446 42.66857 
1 1 1  -12   20   42 o  135.170   17.830  247.299   58.717  302.674  180.210  240.723   62.106  124.648   45.077  132.462   19.346 -7.814201 49.05277 
1 1 1  -12   20   43 f  105.967   21.743  160.313   55.607 -19.6858  191.276  176.930   58.117   80.826   37.845  111.514   21.651 -30.68763 43.60073 
1 1 1  -12   20   44 o  168.397   19.951  395.110   82.267  357.517  222.747  401.048   88.526  122.247   48.655  168.256   21.566 -46.00967 53.22007 
1 1 1  -12   21    1 o   58.225   16.586   44.474   25.282   36.936   33.596   54.317   38.390   56.133   19.543   65.188   20.859 -9.055210 28.58369 
1 1 1  -12   21    2 o  203.900   10.602  525.482   53.799  564.942   73.519  479.991   78.936  210.486   14.068  193.162   16.523 17.32378 21.70103 
1 1 1  -12   21    3 o  187.382   13.898  447.767   64.571  456.938   90.236  438.143   92.437  187.421   19.569  183.105   20.572 4.316238 28.39264 
1 1 1  -12   21    4 o  125.100   13.754  200.662   42.258  107.409   57.446  310.630   62.383   89.162   24.864  155.263   16.335 -66.10056 29.74977 
1 1 1  -12   21    5 o   88.247   13.007  100.552   27.804   99.343   35.790  102.393   44.156   86.773   17.125   87.435   20.568 -0.6620560 26.76369 
1 1 1  -12   21    6 o  228.506   16.109  668.049   91.335   0.0000   0.0000  668.049   91.335  ?   ?   228.506   16.109 0.000000 16.10934 
1 1 1  -12   21    7 o  372.913   19.057  1788.01  176.872  1788.01  176.872   0.0000   0.0000  372.913   19.057  ?   ?  0.000000 19.05698 
1 1 1  -12   21    8 o  302.681   12.159  1156.36   91.904  1211.99  128.251  1097.65  131.763  307.969   16.739  292.455   18.131 15.51324 24.67690 
1 1 1  -12   21    9 o  205.371   10.524  532.190   53.790  535.997   73.597  527.825   78.811  205.162   14.458  203.246   15.648 1.916122 21.30479 
1 1 1  -12   21   10 o   80.876   13.834   85.009   26.935   84.561   35.014   85.659   42.157   79.862   17.989   80.127   20.864 -0.2651672 27.54817 
1 1 1  -12   21   11 o  286.648   11.719  1035.76   83.885  1037.02  116.167  1034.39  121.259  285.089   16.386  284.437   17.152 0.6522217 23.72127 
1 1 1  -12   21   12 o  110.797   14.497  158.008   39.149  151.093   43.322  188.801   91.420  107.801   16.628  117.073   30.841 -9.271614 35.03743 
1 1 1  -12   21   13 o   65.204   21.219   53.196   39.610   58.851   45.162   34.342   82.461   68.744   22.671   72.198   29.300 -3.453758 37.04686 
1 1 1  -12   21   14 o  305.516   17.912  1194.23  136.060  1272.93  184.938  1101.37  200.886  312.587   23.873  288.239   28.273 24.34848 37.00369 
1 1 1  -12   21   15 o  154.030   12.556  301.240   47.875  308.902   75.119  295.999   62.127  154.085   19.994  151.720   16.673 2.364929 26.03344 
1 1 1  -12   21   16 o  144.492   11.014  264.239   39.443  254.567   53.151  276.095   58.845  140.911   15.353  146.565   16.357 -5.654099 22.43385 
1 1 1  -12   21   17 o  285.200   11.630  1024.51   82.827  991.451  114.857  1060.33  119.554  278.849   16.569  288.367   16.673 -9.518158 23.50597 
1 1 1  -12   21   18 o  452.271   15.502  2593.52  175.083  2571.95  245.734  2615.77  249.520  446.932   22.018  450.628   22.174 -3.695007 31.24824 
1 1 1  -12   21   19 o  335.704   12.750  1421.80  106.888  1395.17  148.646  1450.32  153.810  330.363   18.087  336.728   18.361 -6.364410 25.77334 
1 1 1  -12   21   20 o  347.412   12.848  1522.90  111.464  1503.52  155.084  1543.60  160.313  342.958   18.173  347.343   18.550 -4.385254 25.96819 
1 1 1  -12   21   21 o  199.320   11.026  501.391   54.667  504.704   73.819  497.367   81.351  199.095   14.957  197.173   16.678 1.922379 22.40270 
1 1 1  -12   21   22 o  159.837   11.029  322.965   43.750  364.981   59.101  272.024   65.075  169.332   14.105  144.960   18.390 24.37193 23.17668 
1 1 1  -12   21   23 o  151.792   11.432  291.708   43.016  303.999   57.834  276.488   64.355  154.174   15.221  146.259   18.000 7.914627 23.57270 
1 1 1  -12   21   24 o  356.415   13.737  1605.57  122.266  1642.88  170.539  1566.11  175.384  358.022   19.144  349.019   20.209 9.002808 27.83744 
1 1 1  -12   21   25 o  224.381   11.293  635.460   63.076  633.509   86.367  637.690   92.339  222.950   15.611  223.371   16.674 -0.4211121 22.84180 
1 1 1  -12   21   26 o  437.362   15.806  2428.46  172.625  2473.10  242.038  2382.23  246.275  437.340   22.236  428.633   23.094 8.707062 32.05820 
1 1 1  -12   21   27 o   96.529   13.775  120.145   32.263  106.058   42.116  140.152   50.192   89.359   19.427  102.826   20.268 -13.46673 28.07506 
1 1 1  -12   21   28 f  356.055   13.718  1604.42  121.975  1682.92  170.348  1521.83  174.734  362.030   18.908  343.406   20.469 18.62418 27.86572 
1 1 1  -12   21   29 o  151.738   11.219  291.779   42.211  311.093   56.703  267.775   63.216  155.900   14.740  143.639   18.021 12.26086 23.28114 
1 1 1  -12   21   30 o  202.709   14.752  524.784   74.162  539.482  141.566  519.224   87.066  199.316   29.318  200.706   17.548 -1.389374 34.16853 
1 1 1  -12   21   31 o  306.540   17.003  1206.84  129.647  1206.84  129.647   0.0000   0.0000  306.540   17.003  ?   ?  0.000000 17.00320 
1 1 1  -12   21   32 o  246.619   11.920  769.929   73.411  829.894  102.720  707.329  104.953  254.070   16.276  233.663   18.129 20.40666 24.36285 
1 1 1  -12   21   33 o  112.035   13.774  162.148   37.725  177.237   51.534  144.726   55.376  115.774   18.444  103.209   22.149 12.56540 28.82265 
1 1 1  -12   21   34 o   94.486   17.886  119.100   40.656  113.552   43.113  163.663  122.180   91.758   19.421  107.330   37.275 -15.57246 42.03113 
1 1 1  -12   21   35 o  100.660   17.034  134.514   41.289  115.866   43.607  296.098  128.361   92.486   19.496  139.715   36.419 -47.22907 41.30884 
1 1 1  -12   21   36 o  133.028   15.476  231.380   50.450  246.504   54.599  143.045  131.951  137.043   16.272  101.411   38.229 35.63154 41.54836 
1 1 1  -12   21   37 o   94.543   13.314  116.799   30.562   99.518   39.253  143.402   48.704   85.364   18.912  102.564   19.732 -17.20000 27.33159 
1 1 1  -12   21   38 o   97.370   20.068  130.486   47.172  240.434  136.233  115.508   50.283  121.021   39.349   90.667   22.351 30.35331 45.25397 
1 1 1  -12   21   39 o  246.290   15.754  794.929   96.385  871.123  196.725  770.861  110.565  239.021   33.910  240.338   18.566 -1.316162 38.65960 
1 1 1  -12   21   40 o  123.814   18.873  208.392   56.506  258.044  166.058  201.890   60.092  120.118   43.296  120.903   20.645 -0.7846985 47.96640 
1 1 1  -12   21   41 o  154.885   16.761  320.274   63.793  487.883  171.228  293.260   68.742  167.379   41.235  146.681   19.230 20.69785 45.49873 
1 1 1  -12   21   42 o  105.786   20.238  156.637   51.516  301.838  170.639  142.075   54.037  124.616   43.998   99.544   22.293 25.07268 49.32325 
1 1 1  -12   21   43 o   67.072   22.480   62.416   44.359  101.570  178.460   59.837   45.797   90.824   40.111   66.190   22.830 24.63421 46.15352 
1 1 1  -12   21   44 f   66.916   23.228   62.351   47.443  162.577  199.418   56.338   48.846   96.879   42.610   64.853   23.466 32.02541 48.64378 
1 1 1  -12   22    1 o  111.563   12.125  159.414   33.236  133.288   44.684  191.766   49.724  100.192   18.542  121.181   16.891 -20.98874 25.08222 
1 1 1  -12   22    2 o  233.740   10.880  689.787   63.504  697.621   87.520  681.076   92.286  233.419   15.096  230.209   16.156 3.209778 22.11075 
1 1 1  -12   22    3 o  151.134   10.699  289.569   40.117  250.241   53.599  339.663   60.492  139.193   15.694  162.607   15.069 -23.41422 21.75693 
1 1 1  -12   22    4 o  108.511   11.717  150.461   31.247  143.619   40.988  159.955   48.281  104.912   16.164  110.266   18.167 -5.354485 24.31707 
1 1 1  -12   22    5 o  417.191   20.565  2251.85  214.249  2053.08  302.372  2452.27  303.618  388.440   31.442  427.697   28.592 -39.25708 42.49842 
1 1 1  -12   22    6 o  127.037   20.365  213.079   62.421  213.079   62.421   0.0000   0.0000  127.037   20.365  ?   ?  0.000000 20.36458 
1 1 1  -12   22    7 o  160.872   10.841  327.647   43.296  317.284   57.637  341.067   65.590  157.348   14.844  162.753   16.360 -5.404861 22.09053 
1 1 1  -12   22    8 o  296.949   12.046  1113.66   89.329  1162.14  124.185  1061.69  128.590  301.396   16.563  287.407   18.008 13.98846 24.46684 
1 1 1  -12   22    9 o  182.680   10.418  421.519   47.328  437.094   64.082  402.828   70.199  185.205   13.959  177.176   16.040 8.028275 21.26339 
1 1 1  -12   22   10 o  272.754   11.569  938.339   78.798  991.879  109.438  880.701  113.550  278.801   15.784  262.027   17.454 16.77420 23.53196 
1 1 1  -12   22   11 o  138.643   11.007  243.651   37.794  252.150   49.889  232.204   57.899  140.313   14.445  133.716   17.780 6.596695 22.90822 
1 1 1  -12   22   12 o  185.374   10.759  434.121   49.590  430.830   67.001  438.108   73.745  183.737   14.727  184.898   16.133 -1.160309 21.84388 
1 1 1  -12   22   13 o  164.108   10.775  340.505   43.913  315.724   58.837  371.668   65.981  157.015   15.196  170.340   15.688 -13.32465 21.84069 
1 1 1  -12   22   14 o  295.623   12.094  1102.56   89.282  1176.13  123.911  1023.13  128.755  303.597   16.405  282.329   18.362 21.26797 24.62306 
1 1 1  -12   22   15 o  289.662   13.315  1060.70   96.311  966.929  113.305  1304.89  182.836  275.166   16.567  316.526   23.295 -41.35986 28.58521 
1 1 1  -12   22   16 o  402.436   19.951  2078.27  200.498  1902.96  274.858  2277.64  293.116  378.287   29.325  414.727   28.475 -36.44043 40.87551 
1 1 1  -12   22   17 o  154.515   16.925  307.385   64.239  335.287   77.726  247.253  114.106  160.599   19.800  132.995   34.174 27.60417 39.49539 
1 1 1  -12   22   18 o  115.357   18.273  173.815   50.885  134.283   58.124  303.523  105.285   99.895   23.664  149.367   29.274 -49.47207 37.64231 
1 1 1  -12   22   19 o  197.395   12.723  493.856   62.382  495.385   98.082  492.817   80.841  195.462   20.395  196.153   16.662 -0.6909027 26.33545 
1 1 1  -12   22   20 o  172.110   12.648  375.833   53.980  381.658   83.514  371.654   70.745  171.491   19.869  170.098   16.878 1.393036 26.07028 
1 1 1  -12   22   21 o   88.492   14.862  101.826   31.677  128.277   41.870   66.423   48.441   98.929   17.593   72.412   23.458 26.51689 29.32252 
1 1 1  -12   22   22 o  208.588   11.429  549.696   59.303  560.854   80.213  536.246   88.069  209.702   15.426  204.434   17.417 5.267822 23.26634 
1 1 1  -12   22   23 o  179.151   11.368  405.878   50.594  400.852   68.245  412.012   75.387  177.051   15.595  179.108   17.061 -2.056396 23.11466 
1 1 1  -12   22   24 o  149.286   11.911  282.742   44.035  292.678   58.861  270.112   66.363  151.007   15.845  144.172   18.887 6.834808 24.65354 
1 1 1  -12   22   25 o  172.259   11.315  375.422   48.402  389.130   65.066  358.438   72.424  174.519   15.078  166.729   17.664 7.789764 23.22423 
1 1 1  -12   22   26 o  321.567   12.794  1306.51  102.741  1281.38  142.009  1334.10  148.825  316.138   18.063  322.358   18.566 -6.220245 25.90348 
1 1 1  -12   22   27 o  220.214   11.716  613.452   64.195  609.029   87.376  618.640   94.627  218.150   16.154  219.448   17.411 -1.297638 23.75049 
1 1 1  -12   22   28 o  438.989   15.488  2452.04  169.788  2394.51  237.491  2512.19  242.832  429.063   22.242  439.540   22.195 -10.47678 31.42185 
1 1 1  -12   22   29 o  178.434   11.648  403.738   51.616  406.224   69.706  400.721   76.802  177.832   15.863  176.013   17.714 1.819351 23.77865 
1 1 1  -12   22   30 o  166.942   13.122  355.510   54.264  392.344   79.811  323.845   74.000  173.610   18.705  157.370   19.230 16.23993 26.82682 
1 1 1  -12   22   31 o  274.754   14.050  963.350   96.079  978.542  152.243  953.294  123.860  272.355   22.589  271.242   18.395 1.112610 29.13097 
1 1 1  -12   22   32 o  128.168   17.029  214.840   53.155  207.998   57.950  251.125  133.450  125.359   19.117  129.679   38.453 -4.320129 42.94249 
1 1 1  -12   22   33 o  159.833   16.268  332.014   64.028  317.757   71.688  388.239  142.357  155.292   18.874  161.865   36.134 -6.573013 40.76628 
1 1 1  -12   22   34 o  129.218   16.584  219.051   52.279  203.976   56.511  308.553  137.693  123.758   18.884  141.667   38.095 -17.90911 42.51862 
1 1 1  -12   22   35 o  116.045   15.884  177.063   44.820  171.225   47.549  223.599  134.238  113.559   17.315  119.720   39.066 -6.160965 42.73184 
1 1 1  -12   22   36 o   86.855   14.107   99.379   29.547   81.889   37.311  128.793   48.386   77.279   19.371   96.766   20.653 -19.48730 28.31577 
1 1 1  -12   22   37 o   37.177   14.783   10.137   20.548  -4.1352   23.844   51.316   40.502   33.778   14.798   63.135   21.479 -29.35655 26.08297 
1 1 1  -12   22   38 o  149.417   12.192  288.071   45.095  298.652   61.041  275.358   66.910  150.167   16.553  142.715   19.267 7.451401 25.40113 
1 1 1  -12   22   39 o  197.329   16.816  515.883   82.073  548.312  175.554  506.813   92.845  181.746   39.785  193.730   19.454 -11.98480 44.28630 
1 1 1  -12   22   40 o   87.683   21.691  109.032   47.233  232.413  149.274   95.304   49.791  115.168   41.099   81.591   23.288 33.57695 47.23846 
1 1 1  -12   22   41 o  174.476   17.030  407.575   73.253  524.653  180.859  384.600   80.119  170.933   42.540  167.740   19.490 3.192398 46.79226 
1 1 1  -12   22   42 o   47.250   19.874   10.398   39.837  113.992  166.588   4.1150   41.027   92.230   39.768   46.011   19.787 46.21866 44.41924 
1 1 1  -12   22   43 o   58.113   22.268   38.793   45.231  106.236  192.297   34.843   46.537   91.434   40.929   57.146   22.398 34.28794 46.65687 
1 1 1  -12   23    1 o  329.589   12.607  1380.45  103.763  1389.92  144.867  1370.48  148.693  327.470   17.782  324.739   18.412 2.730835 25.59669 
1 1 1  -12   23    2 o  187.012   10.780  443.476   50.128  471.564   68.686  411.466   73.324  191.716   14.453  178.214   16.670 13.50211 22.06297 
1 1 1  -12   23    3 o  181.410   10.867  417.262   49.001  467.607   66.756  358.447   72.154  191.118   14.087  165.974   17.681 25.14455 22.60649 
1 1 1  -12   23    4 o  303.355   12.159  1165.59   92.109  1083.44  127.494  1255.29  133.217  289.678   17.710  312.190   17.154 -22.51263 24.65538 
1 1 1  -12   23    5 o  155.945   10.922  308.507   42.265  350.794   56.383  254.270   63.855  165.604   13.759  139.258   18.846 26.34552 23.33426 
1 1 1  -12   23    6 o  164.453   10.787  342.684   44.052  368.730   58.098  307.455   67.568  169.839   13.818  153.728   17.938 16.11066 22.64339 
1 1 1  -12   23    7 o  204.845   10.727  530.686   54.682  514.077   73.502  551.271   81.830  200.457   14.788  207.226   15.935 -6.768494 21.73967 
1 1 1  -12   23    8 o  177.159   13.881  400.716   60.920  329.061   84.097  479.838   88.370  157.776   21.938  192.351   18.631 -34.57556 28.78204 
1 1 1  -12   23    9 o  330.627   13.425  1385.66  110.839  1534.73  154.817  1228.90  158.758  345.465   18.008  307.534   20.795 37.93127 27.50836 
1 1 1  -12   23   10 o  153.518   10.848  298.557   41.318  316.172   55.282  276.264   62.190  157.210   14.236  145.983   17.403 11.22672 22.48369 
1 1 1  -12   23   11 o  119.008   11.793  180.513   34.586  179.247   45.037  182.332   53.996  117.671   15.720  117.776   19.006 -0.1056595 24.66480 
1 1 1  -12   23   12 o  351.050   13.286  1560.27  116.473  1611.55  162.165  1505.62  167.395  354.095   18.403  341.512   19.712 12.58380 26.96738 
1 1 1  -12   23   13 o  163.664   10.944  339.035   44.472  313.239   58.840  373.405   67.917  156.270   15.273  170.493   16.145 -14.22305 22.22441 
1 1 1  -12   23   14 o  195.846   10.946  484.782   53.318  473.716   71.651  498.514   79.814  192.566   15.019  197.161   16.359 -4.595474 22.20753 
1 1 1  -12   23   15 o   90.272   14.307  105.740   31.176  102.102   40.772  110.861   48.376   87.600   19.171   90.885   21.628 -3.285019 28.90174 
1 1 1  -12   23   16 o   96.309   13.708  119.689   32.038   78.196   41.534  180.653   50.344   76.642   21.054  117.704   17.674 -41.06212 27.48913 
1 1 1  -12   23   17 o  191.668   11.064  464.364   52.731  479.257   70.950  445.986   78.816  193.816   14.770  186.236   17.140 7.580017 22.62589 
1 1 1  -12   23   18 o  182.988   11.092  423.392   50.448  437.295   67.722  406.058   75.619  185.096   14.775  177.608   17.268 7.488098 22.72608 
1 1 1  -12   23   19 o  268.629   13.639  915.566   91.194  899.336  106.281  960.872  177.570  265.399   16.113  269.300   26.759 -3.900299 31.23564 
1 1 1  -12   23   20 o  146.081   17.229  275.730   61.640  248.488   70.365  365.594  127.799  137.390   21.191  162.512   32.625 -25.12221 38.90318 
1 1 1  -12   23   21 o  121.716   18.036  193.159   53.160  172.714   59.790  270.310  116.146  113.904   21.815  138.877   33.808 -24.97321 40.23504 
1 1 1  -12   23   22 o   89.303   21.224  106.815   46.633  120.046   51.192   42.309  113.035   94.567   22.079   82.435   33.977 12.13136 40.52005 
1 1 1  -12   23   23 o  127.043   18.442  210.559   56.797  230.307   63.790  135.020  124.759  132.541   19.887  104.018   37.523 28.52301 42.46701 
1 1 1  -12   23   24 o  234.529   16.693  704.589   97.125  677.443  120.299  755.412  164.605  228.118   21.367  237.489   28.314 -9.370773 35.47128 
1 1 1  -12   23   25 o  229.898   16.467  677.058   93.908  618.503  113.928  801.165  165.862  217.864   21.210  244.883   27.605 -27.01915 34.81178 
1 1 1  -12   23   26 o  439.800   17.061  2471.72  187.376  2152.28  311.619  2652.62  234.505  398.538   31.570  453.148   20.723 -54.60980 37.76389 
1 1 1  -12   23   27 o  411.599   16.898  2166.17  173.682  2027.44  288.331  2245.18  217.588  387.612   30.022  415.906   21.018 -28.29367 36.64845 
1 1 1  -12   23   28 o  311.525   19.114  1255.35  147.977  1311.25  191.294  1172.07  233.503  314.943   24.516  291.578   32.628 23.36459 40.81247 
1 1 1  -12   23   29 o  283.777   17.076  1036.85  120.445  896.222  148.738  1304.71  205.278  260.496   23.105  311.987   26.603 -51.49207 35.23533 
1 1 1  -12   23   30 o  121.887   19.733  197.183   58.009  197.183   58.009   0.0000   0.0000  121.887   19.733  ?   ?  0.000000 19.73301 
1 1 1  -12   23   31 f  155.676   16.220  314.479   62.129  277.832   68.639  480.655  146.162  145.033   19.441  183.428   33.129 -38.39476 38.41180 
1 1 1  -12   23   32 o  137.991   17.305  249.725   58.321  260.371   64.022  197.803  141.384  140.387   18.729  115.692   40.102 24.69530 44.26036 
1 1 1  -12   23   33 o  216.373   14.819  604.026   79.589  638.968   90.043  479.216  170.176  221.793   16.373  176.118   39.649 45.67448 42.89705 
1 1 1  -12   23   34 o   85.613   18.264   99.174   37.856  114.479   39.508 -72.4557  132.303   92.287   17.788   68.551   31.891 23.73642 36.51632 
1 1 1  -12   23   35 o  162.085   12.323  337.658   49.505  348.876   66.769  323.962   73.776  162.903   16.647  155.542   19.417 7.361115 25.57618 
1 1 1  -12   23   36 o  112.783   12.467  164.838   34.526  141.746   44.532  199.635   54.665  102.457   18.065  121.780   18.563 -19.32298 25.90222 
1 1 1  -12   23   37 o   41.835   15.752   17.608   22.390   30.779   26.886 -12.1918   40.441   50.306   17.485   42.048   18.800 8.258743 25.67396 
1 1 1  -12   23   38 o  111.452   12.976  162.073   35.439  157.877   46.016  168.189   55.559  108.080   17.660  110.021   20.988 -1.940300 27.42934 
1 1 1  -12   23   39 o  213.354   12.756  589.140   67.652  649.465   93.937  524.133   97.513  220.967   17.158  196.087   20.204 24.88034 26.50649 
1 1 1  -12   23   40 o   82.108   22.788   96.844   48.376  101.916  165.614   96.371   50.582   92.225   39.710   81.738   23.517 10.48711 46.15078 
1 1 1  -12   23   41 o  154.576   17.537  322.967   66.496  283.149  170.604  330.100   72.207  120.392   43.809  155.284   19.018 -34.89146 47.75951 
1 1 1  -12   23   42 o   66.038   22.662   59.808   45.097  122.311  165.797   54.814   46.864   92.273   39.731   64.360   23.022 27.91296 45.91878 
1 1 1  -12   23   43 o   45.232   19.612   2.5539   40.972 -52.6987  176.393   5.7050   42.124   73.878   35.117   46.606   20.047 27.27252 40.43633 
1 1 1  -12   24    1 o  172.369   11.079  378.510   47.436  362.153   65.040  397.099   69.334  166.887   15.794  174.692   16.074 -7.805664 22.53515 
1 1 1  -12   24    2 o  234.816   16.844  716.021   98.116  637.025  129.192  823.679  150.818  217.015   24.254  246.589   24.830 -29.57394 34.71017 
1 1 1  -12   24    3 o   65.116   17.521   56.722   29.116   28.142   39.083   92.366   43.646   54.151   20.711   82.342   21.123 -28.19104 29.58277 
1 1 1  -12   24    4 o  234.109   13.221  699.736   76.975  636.730  130.670  733.219   95.258  217.583   24.474  238.415   16.094 -20.83136 29.29150 
1 1 1  -12   24    5 o   82.569   19.389   91.865   39.297   91.865   39.297   0.0000   0.0000   82.569   19.389  ?   ?  0.000000 19.38937 
1 1 1  -12   24    6 o  191.021   11.050  462.768   52.483  460.005   70.593  466.182   78.475  189.200   15.066  189.857   16.723 -0.6577911 22.50873 
1 1 1  -12   24    7 o  137.754   11.154  241.355   38.040  235.676   49.898  249.235   58.782  135.108   15.045  138.242   17.414 -3.133270 23.01299 
1 1 1  -12   24    8 f  284.421   12.468  1025.08   88.557  1196.47  122.166  835.290  128.553  305.412   16.075  252.863   20.536 52.54907 26.07926 
1 1 1  -12   24    9 o  250.528   11.605  793.487   72.603  804.865   99.265  780.397  106.466  250.474   15.953  245.981   17.446 4.493240 23.64015 
1 1 1  -12   24   10 o  150.864   14.511  292.104   53.993  298.844   74.739  284.746   78.087  150.688   20.385  146.417   22.040 4.270905 30.02195 
1 1 1  -12   24   11 o   68.806   19.934   62.595   36.229   37.092   51.355   87.862   51.117   62.124   23.746   80.992   23.739 -18.86812 33.57728 
1 1 1  -12   24   12 o  173.244   11.030  380.183   47.469  406.347   63.281  346.519   71.782  178.273   14.336  163.449   17.878 14.82315 22.91609 
1 1 1  -12   24   13 o  200.834   10.995  510.271   54.935  529.448   73.774  486.403   82.303  203.583   14.609  194.257   17.142 9.325577 22.52257 
1 1 1  -12   24   14 o  151.869   11.487  292.766   43.242  329.564   57.364  244.337   65.808  160.444   14.473  136.357   19.914 24.08733 24.61771 
1 1 1  -12   24   15 o  109.969   12.987  155.129   34.976  155.926   45.771  154.010   54.225  109.150   17.375  107.445   20.963 1.705292 27.22718 
1 1 1  -12   24   16 f  217.804   11.198  599.908   60.698  565.132   81.695  642.762   90.687  210.098   15.684  223.907   16.332 -13.80940 22.64346 
1 1 1  -12   24   17 o  187.833   11.204  446.523   52.313  451.998   69.991  439.593   78.744  187.985   15.035  184.672   17.276 3.313599 22.90239 
1 1 1  -12   24   18 o  365.749   13.633  1695.21  124.519  1724.08  172.824  1664.05  179.563  365.886   18.980  358.767   20.124 7.119507 27.66261 
1 1 1  -12   24   19 o  350.693   13.118  1556.74  114.877  1489.31  158.497  1631.37  166.736  340.149   18.732  355.994   18.823 -15.84500 26.55512 
1 1 1  -12   24   20 o  186.111   11.238  438.392   51.983  424.006   69.562  456.587   78.230  181.928   15.458  188.413   16.803 -6.484879 22.83206 
1 1 1  -12   24   21 o  121.220   12.744  187.831   37.999  147.758   49.517  245.233   59.265  105.645   19.488  137.383   17.685 -31.73877 26.31612 
1 1 1  -12   24   22 o  213.703   11.407  577.839   60.653  542.050   81.170  623.084   91.266  205.667   15.929  220.309   16.714 -14.64261 23.08840 
1 1 1  -12   24   23 o  111.374   13.954  159.697   37.957  148.284   48.719  177.326   60.548  105.896   19.127  115.210   21.845 -9.313347 29.03542 
1 1 1  -12   24   24 o  296.952   14.982  1124.63  110.743  1143.76  129.211  1071.69  214.953  298.381   17.417  280.317   31.239 18.06366 35.76599 
1 1 1  -12   24   25 o  330.125   14.232  1384.85  117.329  1276.54  136.176  1696.93  231.149  315.175   17.369  357.398   26.079 -42.22247 31.33409 
1 1 1  -12   24   26 o  314.732   14.729  1261.24  115.766  1223.58  134.633  1368.05  226.755  308.288   17.561  318.162   28.854 -9.874268 33.77788 
1 1 1  -12   24   27 o  265.085   14.542  897.696   95.896  951.761  110.284  730.103  194.171  272.194   16.300  226.798   35.444 45.39630 39.01246 
1 1 1  -12   24   28 o  324.077   20.477  1372.04  164.867  1250.68  221.871  1521.68  246.364  302.049   29.804  333.250   29.923 -31.20090 42.23351 
1 1 1  -12   24   29 o  209.336   15.834  564.985   82.159  564.985   82.159   0.0000   0.0000  209.336   15.834  ?   ?  0.000000 15.83369 
1 1 1  -12   24   30 o   62.212   19.774   50.091   34.545   51.381   35.799   32.615  131.719   63.034   20.140   83.214   35.611 -20.17989 40.91190 
1 1 1  -12   24   31 f   72.440   19.556   71.004   36.203   71.788   37.566   60.787  135.590   72.818   20.032   88.004   36.820 -15.18578 41.91614 
1 1 1  -12   24   32 o  222.320   14.824  638.122   81.829  590.758   91.671  823.846  181.527  212.548   17.425  240.487   30.945 -27.93930 35.51366 
1 1 1  -12   24   33 o  191.914   11.465  470.361   54.692  438.398   72.821  511.720   82.836  183.294   16.072  197.662   16.946 -14.36794 23.35526 
1 1 1  -12   24   34 o   71.806   16.191   69.533   28.340   49.938   35.051  106.529   48.162   61.715   19.951   87.394   22.065 -25.67836 29.74691 
1 1 1  -12   24   35 o  159.751   12.017  328.288   47.588  331.022   63.435  324.768   71.968  158.531   16.254  155.619   18.908 2.912140 24.93361 
1 1 1  -12   24   36 o   67.440   16.546   61.891   27.655   71.865   34.424   43.737   46.443   72.203   18.879   61.333   22.766 10.86969 29.57571 
1 1 1  -12   24   37 o   83.216   15.255   92.855   30.533  113.287   38.488   58.162   50.153   91.247   17.528   67.172   23.838 24.07461 29.58870 
1 1 1  -12   24   38 o  126.738   12.633  208.956   39.448  197.690   51.494  224.960   61.375  121.050   17.547  128.014   19.841 -6.964294 26.48693 
1 1 1  -12   24   39 o  230.709   12.623  689.408   72.449  741.284   99.916  631.895  105.204  235.795   17.085  215.314   19.788 20.48120 26.14267 
1 1 1  -12   24   40 o   81.313   15.061   89.241   29.456   77.064   36.383  112.408   50.183   74.028   19.434   88.150   22.669 -14.12225 29.85946 
1 1 1  -12   24   41 o  124.240   20.267  216.190   60.709  170.377  167.653  223.104   65.129   99.630   41.249  125.379   21.580 -25.74894 46.55332 
1 1 1  -12   24   42 o   87.136   24.038  113.483   54.008   0.0000   0.0000  113.483   54.008  ?   ?    87.136   24.038 0.000000 24.03839 
1 1 1  -12   25    1 o   96.153   13.924  121.354   32.459  115.846   46.203  126.722   45.612   91.505   20.703   96.199   19.651 -4.693886 28.54449 
1 1 1  -12   25    2 o  257.518   11.736  845.465   75.471  897.581  104.660  789.007  108.933  262.566   16.039  244.861   17.940 17.70508 24.06444 
1 1 1  -12   25    3 f  115.170   19.018  177.943   52.788   0.0000   0.0000  177.943   52.788  ?   ?   115.170   19.018 0.000000 19.01838 
1 1 1  -12   25    4 o   93.200   26.856  122.308   65.921  122.308   65.921   0.0000   0.0000   93.200   26.856  ?   ?  0.000000 26.85645 
1 1 1  -12   25    5 f  102.854   16.704  139.814   41.431  155.618   64.969  128.981   53.787  105.650   25.013   96.791   22.654 8.858383 33.74677 
1 1 1  -12   25    6 o  127.805   11.795  208.996   37.221  208.768   48.846  209.313   57.478  126.546   15.801  125.612   18.910 0.9345474 24.64310 
1 1 1  -12   25    7 o  251.620   11.247  801.909   70.669  744.995   95.843  869.714  104.613  240.269   16.067  259.600   16.218 -19.33110 22.82921 
1 1 1  -12   25    8 o   74.729   16.286   74.369   29.533   59.156   37.974   97.658   46.983   67.071   20.647   84.662   22.016 -17.59054 30.18322 
1 1 1  -12   25    9 o  188.001   11.318  448.825   52.886  513.268   70.641  366.641   79.774  200.150   14.226  167.051   19.490 33.09898 24.12951 
1 1 1  -12   25   10 o  130.903   11.719  218.615   37.904  250.215   49.628  174.374   58.721  139.376   14.470  113.894   21.433 25.48148 25.86012 
1 1 1  -12   25   11 o  146.171   11.666  272.034   42.230  321.747   55.864  205.745   64.508  158.322   14.284  123.953   21.627 34.36955 25.91827 
1 1 1  -12   25   12 o   39.225   16.568   2.5794   27.876 -11.7590   34.445   29.795   47.456   39.169   17.443   58.211   22.672 -19.04199 28.60564 
1 1 1  -12   25   13 o  104.102   17.479  142.679   43.829  143.921   62.355  141.467   61.618  102.515   24.659  101.658   24.550 0.8573990 34.79554 
1 1 1  -12   25   14 o   67.953   20.612   60.571   38.025   74.282   55.496   48.439   52.206   76.058   25.133   66.099   24.207 9.958794 34.89491 
1 1 1  -12   25   15 o   67.010   17.699   59.737   30.057   67.976   38.374   46.658   48.348   71.488   20.459   64.405   23.339 7.083191 31.03670 
1 1 1  -12   25   16 o  214.505   11.245  582.645   60.027  575.003   80.260  592.346   90.429  211.847   15.274  214.379   17.032 -2.531296 22.87760 
1 1 1  -12   25   17 o   97.016   14.654  122.306   34.396  121.844   44.608  122.983   54.018   95.595   19.350   95.196   22.984 0.3989334 30.04467 
1 1 1  -12   25   18 o  399.699   14.741  2033.64  147.133  2095.83  204.697  1967.17  211.631  401.753   20.471  388.104   21.926 13.64966 29.99713 
1 1 1  -12   25   19 o  207.433   11.310  544.965   58.364  506.322   77.521  595.531   88.678  198.592   15.761  215.146   16.635 -16.55484 22.91583 
1 1 1  -12   25   20 f  116.214   12.985  173.211   37.039  148.234   48.193  209.253   57.892  105.810   18.934  126.172   18.960 -20.36213 26.79549 
1 1 1  -12   25   21 o  111.675   13.417  160.410   36.667  161.551   47.885  158.793   57.009  110.863   17.907  108.723   21.757 2.139709 28.17865 
1 1 1  -12   25   22 f  165.574   11.325  347.900   46.544  303.334   60.958  410.207   72.077  153.240   16.174  178.374   16.364 -25.13351 23.00805 
1 1 1  -12   25   23 o  347.957   12.724  1534.78  110.558  1376.32  151.211  1716.79  162.058  326.231   18.639  365.418   17.759 -39.18655 25.74479 
1 1 1  -12   25   24 o  242.392   11.517  743.025   69.709  686.325   93.155  815.182  105.088  230.986   16.253  251.570   16.825 -20.58405 23.39341 
1 1 1  -12   25   25 o   64.732   18.136   55.624   30.489   32.938   38.474   93.923   49.990   55.953   20.731   83.202   23.192 -27.24895 31.10668 
1 1 1  -12   25   26 o  312.495   12.573  1239.63   98.114  1221.88  134.075  1260.09  143.959  307.426   17.537  311.556   18.588 -4.130646 25.55525 
1 1 1  -12   25   27 o  157.351   11.941  315.753   46.570  242.143   60.800  420.239   72.438  135.630   18.429  180.157   16.277 -44.52731 24.58792 
1 1 1  -12   25   28 o  166.724   13.463  356.608   55.573  368.765   80.483  345.530   76.828  167.112   19.662  161.814   19.400 5.297607 27.62175 
1 1 1  -12   25   29 o  269.325   11.902  921.716   80.046  900.140  108.156  947.849  119.029  263.580   16.515  269.735   17.771 -6.155212 24.26006 
1 1 1  -12   25   30 o  117.043   13.106  176.979   37.647  182.005   48.804  169.592   59.160  117.366   17.159  111.332   22.059 6.033852 27.94703 
1 1 1  -12   25   31 o  149.043   11.842  284.592   43.712  268.606   56.945  307.523   68.201  143.194   16.211  152.403   18.285 -9.209335 24.43645 
1 1 1  -12   25   32 o  252.849   11.613  814.855   73.327  797.849   98.462  836.033  109.874  247.480   16.018  252.318   17.547 -4.838715 23.75892 
1 1 1  -12   25   33 f  157.106   11.902  317.094   46.347  291.815   60.700  352.434   71.770  148.706   16.631  162.887   17.942 -14.18082 24.46401 
1 1 1  -12   25   34 f   60.954   17.198   50.249   27.316   44.250   33.418   62.328   47.417   58.548   19.511   68.632   23.241 -10.08347 30.34477 
1 1 1  -12   25   35 o  141.811   12.822  260.798   44.915  276.542   59.774  240.380   68.071  144.144   16.928  131.899   21.400 12.24539 27.28599 
1 1 1  -12   25   36 o  108.389   13.225  153.790   35.053  159.244   44.771  145.151   56.345  108.744   17.047  100.990   22.873 7.754471 28.52706 
1 1 1  -12   25   37 o   88.462   14.657  104.410   31.244   92.309   39.002  126.086   52.201   81.336   19.462   93.956   22.538 -12.62029 29.77842 
1 1 1  -12   25   38 o  102.684   13.956  139.424   34.859  155.154   44.351  113.999   56.386  106.978   17.183   88.272   24.640 18.70609 30.03979 
1 1 1  -12   25   39 o   69.681   16.119   66.594   27.490   49.839   33.097  103.868   49.365   60.606   19.365   84.669   22.828 -24.06211 29.93500 
1 1 1  -12   25   40 o   79.548   15.913   86.478   30.506  106.246   37.619   48.509   52.137   87.543   17.814   63.261   23.986 24.28147 29.87793 
1 1 1  -12   25   41 o  135.140   13.186  240.563   43.933  242.655   57.679  237.673   67.805  132.996   17.815  128.826   21.858 4.169464 28.19827 
1 1 1  -12   25   42 o   88.008   23.420  116.037   52.374  163.618  173.112  111.243   54.949   95.378   40.822   85.642   24.472 9.736488 47.59495 
1 1 1  -12   26    1 o  137.050   11.770  242.982   39.891  244.427   56.473  241.543   56.357  134.915   17.150  134.061   17.233 0.8545990 24.31243 
1 1 1  -12   26    2 o   48.588   18.635   23.391   31.692   0.8596   61.397   31.575   37.003   54.594   23.836   53.856   20.256 0.7380371 31.28012 
1 1 1  -12   26    3 o   80.164   16.290   86.726   31.498   70.087   42.723  106.542   46.622   71.379   21.888   87.210   21.536 -15.83115 30.70647 
1 1 1  -12   26    4 o  104.071   13.448  141.367   34.131  181.913   46.258   92.919   50.566  117.202   16.242   81.411   23.539 35.79052 28.59909 
1 1 1  -12   26    5 o  160.489   11.254  329.408   44.817  357.875   60.585  295.002   66.605  165.927   14.776  148.963   18.289 16.96385 23.51247 
1 1 1  -12   26    6 o   44.587   19.851 -12.3120   44.581 -14.5073   50.283  -4.2453   96.386   47.044   21.003   66.813   29.494 -19.76952 36.20837 
1 1 1  -12   26    7 o   63.236   23.169   45.904   47.833   60.672   54.494  -3.6707   99.845   70.027   24.849   68.209   30.069 1.817841 39.00799 
1 1 1  -12   26    8 o  116.671   12.475  175.252   35.784  164.993   46.674  189.880   55.734  111.637   17.302  119.114   19.405 -7.477341 25.99878 
1 1 1  -12   26    9 o  115.022   12.910  170.595   36.441  168.994   47.584  172.865   56.669  113.054   17.414  113.107   20.831 -0.5283356E-01 27.15078 
1 1 1  -12   26   10 o  135.932   11.785  236.225   39.608  258.772   51.603  203.896   61.793  141.391   14.836  123.178   20.832 18.21310 25.57488 
1 1 1  -12   26   11 o  163.476   11.441  340.328   46.412  358.819   61.367  315.618   70.941  166.775   14.892  154.883   18.722 11.89154 23.92225 
1 1 1  -12   26   12 o  127.108   12.362  207.035   38.741  231.953   50.416  171.106   60.540  133.717   15.378  112.209   22.390 21.50811 27.16285 
1 1 1  -12   26   13 o  134.923   12.195  232.799   40.644  270.617   53.033  178.967   63.273  144.759   14.883  114.703   22.892 30.05668 27.30436 
1 1 1  -12   26   14 o   36.082   15.751  -4.4330   26.802 -33.3438   33.768   44.789   44.061   33.734   15.829   62.247   22.317 -28.51281 27.36033 
1 1 1  -12   26   15 o  117.169   16.808  179.773   47.771  131.019   68.062  227.111   67.066   97.142   27.055  130.302   21.351 -33.15973 34.46523 
1 1 1  -12   26   16 o   93.928   19.140  118.138   43.370   72.631   63.022  159.077   59.775   76.474   26.759  108.142   22.851 -31.66731 35.18801 
1 1 1  -12   26   17 o   51.805   20.170   23.110   37.548  -8.2997   56.386   48.136   50.331   51.827   22.729   65.282   23.789 -13.45528 32.90207 
1 1 1  -12   26   18 o  152.637   11.900  296.861   45.000  298.200   58.966  294.993   69.635  151.843   15.781  149.865   19.036 1.978592 24.72739 
1 1 1  -12   26   19 o  102.319   14.112  135.748   35.097   80.412   44.984  221.839   56.108   77.274   22.161  130.116   17.730 -52.84174 28.38089 
1 1 1  -12   26   20 o   83.900   16.526   93.307   33.393   89.675   42.817   98.946   53.353   81.390   20.944   85.206   24.033 -3.815834 31.87899 
1 1 1  -12   26   21 o  169.453   11.526  365.153   48.484  365.393   63.594  364.820   74.922  168.363   15.293  167.139   18.247 1.223831 23.80807 
1 1 1  -12   26   22 o   65.281   18.445   56.696   31.399   47.856   39.718   71.426   51.272   62.366   21.270   74.054   24.143 -11.68779 32.17564 
1 1 1  -12   26   23 o  160.865   11.643  329.572   46.455  310.329   60.918  356.312   71.811  154.726   15.997  165.260   17.675 -10.53389 23.83950 
1 1 1  -12   26   24 o  122.454   13.014  192.854   39.185  209.607   50.831  168.316   61.519  126.665   16.459  111.038   22.945 15.62744 28.23800 
1 1 1  -12   26   25 o  227.161   11.760  656.515   66.482  646.241   88.345  669.930  100.949  223.655   15.922  226.706   17.979 -3.051071 24.01572 
1 1 1  -12   26   26 o  278.519   12.129  986.188   84.356  965.928  114.149  1010.57  125.212  272.936   16.830  278.387   18.110 -5.450806 24.72281 
1 1 1  -12   26   27 o  249.895   13.429  800.061   83.494  683.284  127.775  887.079  110.299  225.389   23.025  261.205   17.002 -35.81607 28.62246 
1 1 1  -12   26   28 o  139.040   13.214  249.187   45.328  250.064   55.737  247.474   77.893  138.111   16.487  133.924   24.181 4.186783 29.26634 
1 1 1  -12   26   29 o  161.105   11.592  331.964   46.324  314.833   60.147  356.940   72.627  155.332   15.723  164.440   17.979 -9.107559 23.88424 
1 1 1  -12   26   30 o  139.137   12.416  249.253   42.687  239.927   55.404  262.877   66.964  134.816   16.823  139.859   19.721 -5.042542 25.92158 
1 1 1  -12   26   31 o   95.615   14.600  120.527   33.755   96.696   42.556  160.955   55.428   83.596   20.534  108.036   21.302 -24.44080 29.58789 
1 1 1  -12   26   32 o  216.565   11.628  601.049   62.654  549.868   83.602  666.626   94.631  204.458   16.515  224.916   16.974 -20.45782 23.68236 
1 1 1  -12   26   33 o  141.702   12.304  259.527   43.108  245.911   56.121  279.122   67.323  135.902   16.902  143.641   19.253 -7.738983 25.61946 
1 1 1  -12   26   34 o  210.901   12.057  572.933   63.238  555.218   84.364  595.653   95.539  204.804   16.639  210.927   18.320 -6.122620 24.74881 
1 1 1  -12   26   35 o  137.932   12.626  247.193   43.008  246.272   56.097  248.507   66.987  135.625   16.932  134.143   20.660 1.482361 26.71240 
1 1 1  -12   26   36 o   99.689   14.456  131.944   34.938  144.823   44.011  109.999   57.451  103.085   17.737   86.720   25.096 16.36496 30.73079 
1 1 1  -12   26   37 o  140.750   12.666  258.098   44.043  267.223   57.305  244.929   68.842  141.219   16.564  132.097   21.617 9.122223 27.23405 
1 1 1  -12   26   38 o   44.498   16.343   22.172   23.821   20.380   27.761   27.175   46.386   45.322   17.427   55.026   22.100 -9.704548 28.14407 
1 1 1  -12   26   39 o   93.512   14.684  117.376   33.161  112.061   41.281  127.044   55.677   89.332   19.085   92.729   23.895 -3.397003 30.58082 
1 1 1  -12   26   40 o   82.681   15.260   93.047   30.347   74.996   36.734  131.850   53.859   72.497   19.753   94.596   23.019 -22.09954 30.33212 
1 1 1  -12   26   41 o   75.669   16.073   79.252   29.434   72.435   35.494   94.261   52.668   71.110   19.434   79.194   24.306 -8.084030 31.11989 
1 1 1  -12   27    1 o   41.514   16.579   14.004   25.943 -29.6213   42.839   39.269   32.601   39.064   18.164   55.126   19.248 -16.06217 26.46568 
1 1 1  -12   27    2 o  101.318   17.183  140.450   41.922  277.923   72.454   71.263   51.400  140.453   21.328   71.191   24.197 69.26178 32.25470 
1 1 1  -12   27    3 o   46.852   17.890   22.399   29.132   14.429   40.593   30.864   41.833   48.937   20.282   54.821   21.305 -5.883869 29.41516 
1 1 1  -12   27    4 o   66.761   17.201   61.269   28.855  103.036   40.962   20.128   40.654   85.956   19.528   50.948   20.609 35.00806 28.39139 
1 1 1  -12   27    5 o   47.402   17.455   24.845   27.197   31.193   37.745   17.990   39.222   53.938   20.419   49.793   20.208 4.144417 28.72797 
1 1 1  -12   27    6 o  149.385   11.418  286.824   42.272  335.880   57.046  227.084   62.952  160.427   14.393  128.917   20.220 31.50932 24.81915 
1 1 1  -12   27    7 o   97.811   14.195  125.863   33.660  111.187   44.312  145.882   51.753   89.668   20.266  102.751   20.882 -13.08334 29.09915 
1 1 1  -12   27    8 o  210.041   13.568  569.471   70.785  573.522   80.220  555.224  150.438  209.799   15.420  193.783   32.219 16.01634 35.71907 
1 1 1  -12   27    9 o   47.386   20.844  -6.8442   47.739  -8.4899   53.791  -0.7398  103.597   49.912   22.033   69.212   30.564 -19.29966 37.67815 
1 1 1  -12   27   10 o  180.867   11.629  418.210   52.244  458.749   68.886  363.320   80.157  188.147   14.781  164.873   19.869 23.27400 24.76385 
1 1 1  -12   27   11 o   78.639   16.599   82.980   31.572   81.193   40.971   85.594   49.539   76.976   20.814   78.896   23.436 -1.919411 31.34480 
1 1 1  -12   27   12 o   72.807   17.183   71.452   30.738   79.924   39.381   58.243   49.174   76.510   20.283   68.099   23.648 8.411476 31.15469 
1 1 1  -12   27   13 o   41.195   16.842   9.1065   27.494  -0.6960   34.681   25.688   45.106   42.156   18.161   55.473   21.953 -13.31785 28.49121 
1 1 1  -12   27   14 o   72.105   17.456   70.038   31.094   96.195   39.788   29.000   49.837   84.202   19.331   58.357   23.081 25.84544 30.10698 
1 1 1  -12   27   15 o  174.665   11.617  389.057   50.381  410.850   66.203  359.069   77.660  178.289   15.009  164.802   19.232 13.48656 24.39595 
1 1 1  -12   27   16 o   62.698   18.353   52.235   30.570   19.956   39.048  103.349   49.136   51.116   20.363   86.675   22.503 -35.55960 30.34851 
1 1 1  -12   27   17 o  126.760   12.450  206.321   38.902  233.630   50.407  166.097   61.176  134.055   15.333  110.008   23.009 24.04741 27.65012 
1 1 1  -12   27   18 o   60.245   21.173   43.466   39.478   88.600   58.927   6.7136   53.175   81.001   25.835   53.585   22.771 27.41657 34.43774 
1 1 1  -12   27   19 o   84.169   21.297   96.877   44.799   91.771   67.545  100.888   59.861   82.922   27.740   85.596   25.839 -2.673676 37.90974 
1 1 1  -12   27   20 o  135.877   16.591  241.564   55.127  276.717   81.808  212.324   74.611  142.369   23.855  123.833   24.989 18.53603 34.54723 
1 1 1  -12   27   21 o  112.942   13.809  165.338   38.136  159.328   49.211  174.373   60.339  109.230   18.715  113.051   22.166 -3.821449 29.00962 
1 1 1  -12   27   22 o   65.465   18.639   57.423   31.935   55.547   40.545   60.490   51.830   65.550   21.474   69.601   24.272 -4.051170 32.40786 
1 1 1  -12   27   23 o  180.700   11.741  416.748   52.692  374.907   68.636  476.802   82.229  169.590   16.412  190.927   17.439 -21.33708 23.94763 
1 1 1  -12   27   24 o  112.555   13.914  164.574   38.274  144.041   48.581  198.174   62.145  103.286   19.551  120.807   21.382 -17.52171 28.97348 
1 1 1  -12   27   25 o   58.280   18.444   44.174   30.079   26.249   38.119   73.752   48.967   52.814   20.389   74.055   23.543 -21.24085 31.14475 
1 1 1  -12   27   26 o  156.867   15.852  321.344   61.246  318.555  110.392  322.585   73.615  147.779   30.908  155.539   19.373 -7.760803 36.47724 
1 1 1  -12   27   27 o   72.479   20.789   71.827   39.583   71.827   39.583   0.0000   0.0000   72.479   20.789  ?   ?  0.000000 20.78917 
1 1 1  -12   27   28 o  105.632   13.853  145.786   35.661  128.469   45.424  173.607   57.574   97.071   19.417  112.401   21.291 -15.33065 28.81572 
1 1 1  -12   27   29 o  159.202   12.258  326.226   48.358  297.758   62.932  367.273   75.567  149.948   17.113  165.915   18.557 -15.96732 25.24288 
1 1 1  -12   27   30 o  103.174   13.963  139.724   35.052  138.442   44.281  141.874   57.362  101.060   18.217  100.091   23.373 0.9688110 29.63372 
1 1 1  -12   27   31 o   73.088   16.781   72.767   29.982   59.119   36.905   99.257   51.418   65.921   20.365   83.516   23.606 -17.59492 31.17655 
1 1 1  -12   27   32 o   80.304   16.542   87.575   32.069   75.997   40.141  108.002   53.319   73.741   20.862   86.710   23.870 -12.96911 31.70178 
1 1 1  -12   27   33 o  137.777   12.481  246.459   42.477  192.463   54.368  331.054   68.052  118.647   18.990  157.039   17.660 -38.39139 25.93249 
1 1 1  -12   27   34 o  206.439   12.402  551.595   63.639  586.444   85.671  508.690   95.057  210.116   16.459  192.878   20.028 17.23845 25.92320 
1 1 1  -12   27   35 o   74.453   16.748   76.131   30.385   74.387   37.397   79.519   52.121   72.737   19.977   74.836   24.339 -2.098625 31.48788 
1 1 1  -12   27   36 o  111.414   14.124  164.369   38.413  186.985   48.716  127.195   62.457  117.459   17.111   92.224   26.000 25.23494 31.12515 
1 1 1  -12   27   37 o  100.209   14.706  134.298   35.705  125.624   44.857  149.297   58.985   94.543   19.641  100.905   23.795 -6.362526 30.85469 
1 1 1  -12   27   38 f   40.828   16.088   14.431   24.129   31.664   27.971 -35.6941   47.704   50.495   17.815   40.623   18.982 9.872406 26.03247 
1 1 1  -12   27   39 o  144.144   12.802  272.890   45.601  286.161   58.692  252.678   72.432  145.372   16.458  132.025   22.794 13.34703 28.11409 
1 1 1  -12   27   40 o   77.404   15.729   82.601   29.367   60.095   34.781  138.484   54.807   65.023   19.711   96.457   23.065 -31.43356 30.34032 
1 1 1  -12   27   41 o  101.492   14.618  139.432   35.980  137.091   44.523  143.837   61.087   98.247   18.833   96.395   25.122 1.851494 31.39746 
1 1 1  -12   28    1 o   53.289   19.639   35.816   34.440   0.0000   0.0000   35.816   34.440  ?   ?    53.289   19.639 0.000000 19.63918 
1 1 1  -12   28    2 o   44.307   19.374   0.7784   40.701   0.7784   40.701   0.0000   0.0000   44.307   19.374  ?   ?  0.000000 19.37408 
1 1 1  -12   28    3 o   41.311   16.547   13.813   25.929 -14.9258   41.189   32.678   33.371   41.003   18.596   52.199   19.314 -11.19651 26.81080 
1 1 1  -12   28    4 o   55.055   19.253   39.088   32.621 -28.5048   57.025   71.967   39.772   46.167   21.288   70.840   20.989 -24.67252 29.89516 
1 1 1  -12   28    5 o   70.101   17.273   68.316   30.040   69.748   43.581   67.019   41.465   70.125   22.202   68.882   21.637 1.242371 31.00119 
1 1 1  -12   28    6 o   76.585   16.232   80.249   30.080   78.226   41.801   82.422   43.317   74.156   21.391   75.956   21.736 -1.800003 30.49660 
1 1 1  -12   28    7 o  118.714   12.696  183.975   37.053  205.721   49.667  156.681   55.644  123.863   16.465  105.119   21.908 18.74424 27.40562 
1 1 1  -12   28    8 o  188.928   11.274  458.797   52.949  507.828   71.252  398.329   79.127  196.940   14.592  171.717   18.758 25.22337 23.76517 
1 1 1  -12   28    9 o  109.881   13.509  158.163   36.286  191.343   48.258  115.004   55.039  119.679   16.594   89.425   24.101 30.25410 29.26137 
1 1 1  -12   28   10 o   91.471   15.365  111.589   33.853  127.957   43.759   87.190   53.426   96.726   18.794   78.701   24.534 18.02561 30.90502 
1 1 1  -12   28   11 o   59.598   23.094   36.112   49.046  -2.6837   54.149  213.315  115.728   51.061   22.337  115.782   36.111 -64.72092 42.46102 
1 1 1  -12   28   12 o  118.720   15.709  186.114   45.429  234.736   70.920  152.282   59.159  130.117   22.649  103.957   23.358 26.15997 32.53623 
1 1 1  -12   28   13 o   49.589   17.916   27.982   28.458   42.999   36.172   3.5901   46.100   58.713   20.288   49.054   21.032 9.658962 29.22250 
1 1 1  -12   28   14 f   71.208   17.393   68.874   30.662   55.064   39.202   90.633   49.207   64.683   21.112   80.604   23.197 -15.92062 31.36555 
1 1 1  -12   28   15 o  104.800   14.126  143.700   36.026  152.979   46.284  129.437   57.385  106.763   18.001   95.798   24.029 10.96514 30.02383 
1 1 1  -12   28   16 o   49.247   18.057   26.584   29.063 -21.0076   36.546  108.465   47.936   37.911   17.317   88.361   21.848 -50.45084 27.87832 
1 1 1  -12   28   17 o  107.889   13.892  151.826   36.557  143.372   46.683  165.228   58.781  103.030   18.839  109.318   22.288 -6.288399 29.18345 
1 1 1  -12   28   18 o  117.255   13.175  178.190   37.909  167.147   48.737  195.103   60.317  111.759   18.081  119.672   20.946 -7.913345 27.67079 
1 1 1  -12   28   19 o   33.675   15.215 -13.0625   27.280 -17.6657   34.411  -5.2752   44.756   37.353   16.962   46.296   20.278 -8.942341 26.43697 
1 1 1  -12   28   20 o  106.558   14.129  148.352   36.670  161.678   46.751  127.044   59.118  110.057   17.604   94.824   24.715 15.23288 30.34318 
1 1 1  -12   28   21 o   68.453   18.501   63.663   32.380   64.027   40.091   62.981   54.914   68.907   21.215   70.579   24.955 -1.672363 32.75451 
1 1 1  -12   28   22 o  145.617   16.642  279.204   59.428  267.823   88.919  288.392   79.892  137.193   26.916  144.891   22.837 -7.697830 35.29845 
1 1 1  -12   28   23 o   55.222   21.123   30.761   40.657   72.852   65.499   4.3792   51.856   75.540   27.196   51.953   22.292 23.58673 35.16447 
1 1 1  -12   28   24 o  142.872   17.022  270.023   59.534  271.355   91.576  269.047   78.350  137.354   27.655  139.352   23.341 -1.997864 36.18857 
1 1 1  -12   28   25 o   97.503   20.224  130.738   47.627  137.573   81.635  127.211   58.642   96.717   30.356   94.521   24.605 2.196068 39.07543 
1 1 1  -12   28   26 o   46.495   18.951   13.792   34.680   14.213   35.572   5.7201  155.882   47.074   19.191   81.533   36.648 -34.45957 41.36877 
1 1 1  -12   28   27 o   99.877   14.568  131.665   35.264  163.279   44.812   80.247   57.149  110.541   16.759   76.419   25.516 34.12144 30.52807 
1 1 1  -12   28   28 o  141.471   12.767  259.425   44.617  306.539   57.874  190.403   70.049  152.658   15.392  115.118   25.077 37.53975 29.42387 
1 1 1  -12   28   29 o   95.421   14.818  120.974   34.164   88.336   42.634  179.542   57.110   79.273   21.146  113.766   20.872 -34.49253 29.71200 
1 1 1  -12   28   30 o  111.916   13.744  164.549   37.605  162.766   47.698  167.478   61.129  109.406   18.091  108.313   23.292 1.092445 29.49244 
1 1 1  -12   28   31 f   74.597   16.948   76.340   30.852   74.510   38.292   79.725   52.087   72.894   20.290   75.147   24.323 -2.252411 31.67513 
1 1 1  -12   28   32 o   53.035   17.854   36.145   27.982   12.451   33.942   86.421   49.441   45.274   18.634   77.618   23.494 -32.34369 29.98677 
1 1 1  -12   28   33 o  126.131   13.401  208.834   41.564  199.072   52.994  224.436   66.998  120.762   18.133  125.906   22.116 -5.143845 28.59952 
1 1 1  -12   28   34 f  134.443   13.036  236.667   43.217  201.996   55.172  291.722   69.523  121.127   18.853  145.404   19.650 -24.27730 27.23201 
1 1 1  -12   28   35 o  112.776   14.138  168.739   38.941  182.631   49.318  145.738   63.459  115.599   17.643   98.619   25.558 16.98015 31.05680 
1 1 1  -12   28   36 o  126.678   13.496  211.675   42.035  229.626   53.704  183.283   67.540  130.091   16.933  110.992   24.972 19.09961 30.17162 
1 1 1  -12   28   37 o   46.544   16.960   25.306   25.580   17.448   29.468   49.337   51.529   44.650   17.720   63.066   23.862 -18.41575 29.72211 
1 1 1  -12   28   38 o   70.827   17.019   70.175   29.727   73.573   35.215   61.750   55.455   71.786   19.249   67.546   24.916 4.239922 31.48562 
1 1 1  -12   28   39 o   85.939   15.622  101.380   32.290   70.724   38.766  170.853   58.357   69.855   20.727  107.726   22.422 -37.87173 30.53502 
1 1 1  -12   28   40 o   93.025   15.398  118.600   34.518  124.178   41.764  106.576   61.318   93.472   18.547   82.317   26.364 11.15479 32.23430 
1 1 1  -12   29    1 o   49.480   22.309  -2.4864   58.289  -2.4864   58.289   0.0000   0.0000   49.480   22.309  ?   ?  0.000000 22.30938 
1 1 1  -12   29    2 o   40.793   16.332   14.749   25.247  -3.3879   43.968   23.670   30.837   44.089   19.665   46.775   18.260 -2.686039 26.83555 
1 1 1  -12   29    3 o   49.991   17.494   32.808   26.937   85.545   44.201   1.6497   33.976   74.968   22.104   40.835   17.783 34.13306 28.36936 
1 1 1  -12   29    4 o   72.041   16.786   73.427   29.637   84.304   45.474   65.395   39.077   74.724   22.512   66.819   21.007 7.905190 30.79152 
1 1 1  -12   29    5 o   64.071   17.622   58.208   29.074   49.670   43.660   65.011   38.973   60.934   22.164   66.975   20.967 -6.040096 30.50985 
1 1 1  -12   29    6 o   90.994   18.026  116.306   39.513  147.818   64.743   97.602   49.879   97.555   26.075   80.677   23.394 16.87830 35.03162 
1 1 1  -12   29    7 o   53.377   19.418   35.032   33.512   54.782   54.965   23.347   42.279   65.316   24.661   51.870   21.005 13.44584 32.39412 
1 1 1  -12   29    8 o   45.852   17.466   21.976   27.724   12.354   37.569   33.483   41.083   46.629   19.434   55.102   21.197 -8.472534 28.75737 
1 1 1  -12   29    9 o   65.041   17.944   58.884   30.093   98.893   41.161   12.937   44.109   83.480   20.006   49.803   20.928 33.67735 28.95223 
1 1 1  -12   29   10 o   41.905   16.982   12.246   27.655 -36.7450   36.606   77.390   42.211   34.339   16.226   73.740   21.561 -39.40083 26.98449 
1 1 1  -12   29   11 o   84.744   16.226   97.592   33.087   74.170   43.054  131.381   51.711   72.464   21.922   95.883   22.056 -23.41896 31.09727 
1 1 1  -12   29   12 o   98.313   14.652  128.561   34.872  134.290   44.954  119.906   55.259   98.645   18.938   90.872   23.996 7.772636 30.56883 
1 1 1  -12   29   13 o   60.751   23.102   41.511   48.451   54.257   53.103 -21.8184  118.366   66.149   24.385   68.427   31.221 -2.278084 39.61589 
1 1 1  -12   29   14 f   46.786   20.385  -1.1995   44.704  -2.4910   48.271   6.5825  118.490   48.171   21.080   72.457   32.303 -24.28598 38.57315 
1 1 1  -12   29   15 f  124.816   12.857  202.689   39.502  209.566   51.000  192.377   62.451  125.261   16.722  117.175   22.155 8.085922 27.75692 
1 1 1  -12   29   16 o   76.706   16.939   80.189   31.579   65.364   39.841  105.243   51.795   68.942   21.136   85.868   23.480 -16.92551 31.59214 
1 1 1  -12   29   17 o   55.609   18.448   39.863   29.888   28.733   37.542   59.129   49.392   53.009   20.293   67.525   23.686 -14.51546 31.19023 
1 1 1  -12   29   18 o   71.749   17.921   70.640   32.014   89.735   40.260   37.803   52.796   80.302   20.119   61.124   23.884 19.17785 31.22820 
1 1 1  -12   29   19 o   40.509   16.813   7.3981   27.949   10.038   34.757   2.5670   47.015   45.161   18.747   48.989   21.125 -3.828186 28.24369 
1 1 1  -12   29   20 o   68.904   18.071   65.124   31.479   67.835   39.693   60.530   51.677   70.149   21.010   68.480   24.209 1.668816 32.05470 
1 1 1  -12   29   21 o  149.497   12.169  288.488   45.036  277.705   57.657  305.361   72.127  144.856   16.218  150.032   19.730 -5.176300 25.53967 
1 1 1  -12   29   22 o  123.690   13.107  199.180   39.867  198.204   50.589  200.779   64.758  121.687   17.122  119.751   22.481 1.935806 28.25858 
1 1 1  -12   29   23 o  114.719   13.789  172.446   38.712  209.096   49.165  112.657   62.797  125.481   16.059   88.041   26.440 37.44025 30.93437 
1 1 1  -12   29   24 o   76.931   17.974   81.388   33.907   64.088   43.319  108.751   54.481   68.565   22.181   86.962   24.201 -18.39718 32.82769 
1 1 1  -12   29   25 o  108.512   20.976  164.103   54.784  214.572   91.580  135.977   68.366  118.193   30.739   95.755   27.274 22.43824 41.09442 
1 1 1  -12   29   26 o   36.152   16.996 -36.4304   39.251 -75.3594   67.464 -16.5108   48.259   44.719   21.384   44.989   20.291 -0.2703476 29.47886 
1 1 1  -12   29   27 o  155.788   17.126  324.983   65.527  297.707  101.657  344.373   85.709  139.872   30.003  156.747   22.545 -16.87567 37.52987 
1 1 1  -12   29   28 o  111.486   20.687  173.713   55.473   73.019   89.977  235.455   70.456   77.656   30.918  128.906   22.717 -51.25057 38.36688 
1 1 1  -12   29   29 o   94.662   22.063  128.290   51.192  110.349   90.281  136.792   62.149   86.515   31.810   96.059   25.488 -9.544090 40.76146 
1 1 1  -12   29   30 o   81.676   17.183   91.837   33.937   70.447   41.841  132.969   58.020   70.653   21.660   95.095   24.332 -24.44165 32.57655 
1 1 1  -12   29   31 o   21.570   10.682 -48.3517   21.503 -53.2525   24.886 -33.9131   42.715   23.527   11.622   38.402   17.950 -14.87460 21.38385 
1 1 1  -12   29   32 o   45.638   17.473   21.170   27.836   37.013   33.574 -13.6633   49.784   54.564   19.489   45.910   20.666 8.653900 28.40642 
1 1 1  -12   29   33 o   80.373   17.106   89.359   33.278  108.711   41.363   53.845   56.033   87.797   19.384   65.701   24.877 22.09583 31.53791 
1 1 1  -12   29   34 o   96.033   15.324  124.609   35.513  136.688   44.390  103.134   59.189   98.998   18.640   82.837   25.823 16.16115 31.84802 
1 1 1  -12   29   35 o  119.427   13.609  189.003   39.860  164.649   50.062  231.180   65.882  108.387   19.199  127.217   21.505 -18.82982 28.82803 
1 1 1  -12   29   36 f   42.276   16.653   16.063   25.846   28.836   30.031 -20.4202   50.755   49.590   18.327   44.660   20.403 4.930698 27.42588 
1 1 1  -12   29   37 f   51.081   17.730   33.609   27.641   49.884   32.178 -12.2013   53.985   59.879   19.090   47.527   21.446 12.35177 28.71152 
1 1 1  -12   29   38 o   54.816   17.807   41.035   27.900   43.118   32.537   35.248   54.231   56.472   19.251   58.625   23.772 -2.153599 30.58948 
1 1 1  -12   29   39 o   90.229   16.261  113.088   35.292  105.982   42.112  129.852   64.685   85.135   20.126   89.897   26.797 -4.762024 33.51335 
1 1 1  -12   30    1 f   50.974   22.258   17.020   53.554   8.7713   60.768   45.705  113.322   51.274   22.976   65.920   30.253 -14.64577 37.98918 
1 1 1  -12   30    2 o   82.082   26.232  117.264   60.731  104.465   70.615  153.624  119.022   76.343   28.124   83.449   34.670 -7.105751 44.64212 
1 1 1  -12   30    3 o   79.334   25.780  106.403   58.480  126.831   68.679   52.532  111.529   84.503   27.961   68.560   30.891 15.94217 41.66620 
1 1 1  -12   30    4 o   65.054   17.855   62.010   29.885  118.908   48.883   28.049   37.766   87.280   22.335   50.417   20.044 36.86274 30.01056 
1 1 1  -12   30    5 o   43.422   16.885   19.770   26.290   54.680   43.265  -0.6654   33.102   61.678   22.114   39.541   17.376 22.13670 28.12402 
1 1 1  -12   30    6 o   52.901   17.930   38.166   28.224   31.402   43.322   43.154   37.202   53.685   21.429   56.604   20.479 -2.918713 29.64104 
1 1 1  -12   30    7 o   40.094   16.411   11.345   26.144   27.276   39.758  -0.7912   34.702   51.500   20.537   40.644   17.828 10.85571 27.19571 
1 1 1  -12   30    8 f   78.138   16.809   85.878   31.825  117.946   45.525   55.228   44.507   89.584   20.757   62.996   22.446 26.58818 30.57191 
1 1 1  -12   30    9 f  101.681   17.613  144.436   43.103  205.929   67.905  102.943   55.780  116.952   24.054   81.762   25.000 35.18959 34.69302 
1 1 1  -12   30   10 o   52.126   18.263   34.926   29.360   74.375   40.611  -8.2716   42.497   71.490   21.216   43.129   19.278 28.36067 28.66619 
1 1 1  -12   30   11 o  116.678   13.632  180.889   38.971  223.543   52.207  127.207   58.568  128.023   16.730   91.476   24.949 36.54696 30.03941 
1 1 1  -12   30   12 o   82.646   16.667   94.340   33.211  113.837   42.941   65.319   52.390   89.453   19.751   68.655   24.364 20.79797 31.36451 
1 1 1  -12   30   13 o   80.362   16.842   89.256   32.717   72.487   42.605  113.356   51.075   71.136   21.865   87.804   23.014 -16.66801 31.74507 
1 1 1  -12   30   14 o   59.109   18.512   47.740   30.378   74.928   38.438   2.5012   49.582   72.554   20.376   49.357   21.488 23.19785 29.61280 
1 1 1  -12   30   15 o   46.931   19.198   15.345   35.754   12.221   37.221   52.643  128.600   46.577   19.373   79.111   34.519 -32.53308 39.58392 
1 1 1  -12   30   16 o   67.790   24.019   61.728   50.895   68.095   54.984   23.638  134.493   70.576   24.969   76.387   34.209 -5.810844 42.35230 
1 1 1  -12   30   17 o   46.288   18.806   15.555   34.014   26.826   48.235   4.4072   47.970   55.591   22.462   49.333   21.306 6.258392 30.95956 
1 1 1  -12   30   18 o   44.357   17.455   17.370   28.365   14.413   35.268   22.788   47.733   46.505   19.051   54.258   22.188 -7.753139 29.24426 
1 1 1  -12   30   19 o   66.675   18.152   61.708   31.034   86.246   38.962   19.115   51.332   78.193   19.903   54.568   22.728 23.62455 30.21028 
1 1 1  -12   30   20 o   63.267   18.402   55.236   30.820   74.835   38.379   19.641   51.721   72.839   20.327   54.865   22.829 17.97438 30.56721 
1 1 1  -12   30   21 f   57.096   18.696   43.263   30.735   29.001   38.565   68.093   50.885   53.038   20.499   70.322   24.074 -17.28348 31.61946 
1 1 1  -12   30   22 f  108.595   14.066  156.100   37.247  158.590   47.109  151.948   60.836  107.529   18.193  101.908   24.256 5.620499 30.32051 
1 1 1  -12   30   23 o  147.509   12.474  283.256   45.517  283.049   58.158  283.582   73.125  145.413   16.296  142.392   21.213 3.021118 26.74968 
1 1 1  -12   30   24 o   84.398   19.188   99.863   39.525   83.716   54.156  118.267   57.817   76.276   24.810   89.375   24.951 -13.09961 35.18666 
1 1 1  -12   30   25 o  200.256   12.769  522.046   63.520  525.577   77.529  514.837  110.785  198.855   15.741  189.633   23.927 9.222839 28.64101 
1 1 1  -12   30   26 o   58.125   18.582   45.647   30.472   59.138   37.778   20.521   51.555   65.269   20.671   54.827   22.801 10.44229 30.77666 
1 1 1  -12   30   27 o  123.567   13.445  201.176   40.817  212.230   51.774  183.024   66.348  125.070   17.019  111.440   24.508 13.63015 29.83804 
1 1 1  -12   30   28 o   94.976   15.561  122.014   35.629  138.224   44.764   93.995   58.853   99.661   18.673   79.687   25.861 19.97330 31.89766 
1 1 1  -12   30   29 f   69.650   18.278   68.128   32.192   61.204   39.864   81.109   54.578   66.121   21.266   74.804   24.935 -8.682121 32.77151 
1 1 1  -12   30   30 o   48.477   20.650   9.0890   43.922   1.1580   82.004   12.280   52.012   60.312   26.882   52.579   22.436 7.732574 35.01477 
1 1 1  -12   30   31 o   80.327   23.261   95.193   49.342  112.061   91.511   88.278   58.588   85.266   31.897   77.266   25.835 8.000084 41.04714 
1 1 1  -12   30   32 o   68.301   23.744   65.301   49.583   52.094   95.115   70.230   58.102   72.248   30.566   70.882   25.601 1.366608 39.87079 
1 1 1  -12   30   33 o   60.857   23.089   45.387   48.329   83.229  100.682   34.057   55.091   78.878   32.236   59.071   23.957 19.80660 40.16358 
1 1 1  -12   30   34 o   85.071   24.558  109.847   55.075   28.101  108.216  138.422   63.981   70.057   31.072   94.445   26.206 -24.38850 40.64772 
1 1 1  -12   30   35 o   84.042   24.658  107.952   55.123  138.621  112.294   98.216   63.271   90.026   34.928   79.800   26.847 10.22608 44.05391 
1 1 1  -12   30   36 o   79.093   25.085   96.111   55.616  180.026  125.669   75.672   62.021   97.377   37.164   72.007   26.382 25.36993 45.57586 
1 1 1  -12   30   37 o  116.072   23.333  202.572   65.287  249.222  134.636  188.230   74.651  109.889   39.051  108.006   27.581 1.883141 47.80922 
1 1 1  -12   30   38 f   55.166   23.023   26.073   52.829   64.531  128.181   18.204   57.982   75.800   33.709   54.772   23.538 21.02758 41.11398 
1 1 1  -12   31    1 o   46.857   21.370   0.0933   55.382   2.3354   63.036  -7.4944  115.962   49.374   22.624   57.848   27.761 -8.473427 35.81253 
1 1 1  -12   31    2 o   60.891   24.789   56.643   59.247   62.559   68.256   38.562  119.318   63.029   26.226   63.821   29.885 -0.7915955 39.76113 
1 1 1  -12   31    3 o   49.087   21.844   9.3383   53.910   41.426   60.728 -109.9761  117.103   57.858   24.448   51.610   25.440 6.248516 35.28282 
1 1 1  -12   31    4 o   60.607   24.296   52.545   55.950   38.075   62.928  107.149  122.239   57.981   24.708   74.763   33.099 -16.78238 41.30411 
1 1 1  -12   31    5 o   58.410   24.027   42.658   56.391   32.368   63.556   80.730  122.251   57.294   24.634   72.211   32.457 -14.91695 40.74612 
1 1 1  -12   31    6 o   83.672   16.195  100.013   32.616  124.447   50.117   82.062   42.957   88.597   22.585   72.243   21.907 16.35464 31.46397 
1 1 1  -12   31    7 o   53.957   18.172   40.986   28.987   51.272   45.092   33.742   37.842   60.132   22.411   52.432   20.295 7.699379 30.23425 
1 1 1  -12   31    8 o   35.723   15.568   0.1035   26.081 -16.5830   40.568   11.859   34.051   39.514   18.122   43.717   18.380 -4.203182 25.81186 
1 1 1  -12   31    9 o   41.712   16.895   14.429   27.357   23.300   41.306   7.4960   36.514   50.323   20.616   43.634   18.713 6.689568 27.84279 
1 1 1  -12   31   10 o   67.376   18.299   65.862   31.584   40.950   45.071   89.901   44.274   57.359   22.163   76.868   21.967 -19.50906 31.20526 
1 1 1  -12   31   11 o  166.269   15.060  374.909   61.851  609.558   94.210  197.153   81.998  208.538   18.275  107.891   29.560 100.6464 34.75320 
1 1 1  -12   31   12 o   50.433   18.334   31.764   29.869   49.167   40.180   10.267   44.657   59.954   21.330   48.320   20.708 11.63412 29.72928 
1 1 1  -12   31   13 o   40.089   16.906   6.8760   28.951   15.775   37.956  -5.5041   44.768   47.311   19.611   44.605   19.873 2.706161 27.91983 
1 1 1  -12   31   14 o   99.038   14.957  133.278   35.838  185.622   46.951   60.210   55.472  116.119   16.670   66.452   24.839 49.66687 29.91406 
1 1 1  -12   31   15 o   42.827   17.303   14.445   28.617   20.626   36.764   4.9407   45.585   48.628   19.624   47.677   20.680 0.9511185 28.50861 
1 1 1  -12   31   16 o   82.650   17.032   95.291   33.984  109.208   42.989   72.100   55.493   86.976   20.182   70.803   25.081 16.17314 32.19276 
1 1 1  -12   31   17 o   51.779   18.365   33.869   29.762   29.073   37.827   41.664   48.220   52.165   20.263   59.452   22.938 -7.286308 30.60600 
1 1 1  -12   31   18 o   49.863   19.795   23.601   36.783   12.498   38.062  180.454  143.061   46.685   19.518   98.725   39.087 -52.04042 43.68948 
1 1 1  -12   31   19 o   89.290   24.605  120.577   56.621  140.525   61.149   0.6434  149.941   96.099   25.179   74.379   34.375 21.71948 42.60974 
1 1 1  -12   31   20 o   88.409   19.046  110.645   40.807  123.359   57.974   98.159   57.449   90.207   24.913   80.643   25.486 9.564003 35.64016 
1 1 1  -12   31   21 o   71.539   17.889   72.047   31.874   48.124   39.454  117.002   54.084   60.193   21.166   88.404   23.919 -28.21094 31.93929 
1 1 1  -12   31   22 o   68.546   18.503   66.428   32.410   58.808   40.535   79.934   53.963   64.861   21.482   73.957   24.794 -9.096001 32.80615 
1 1 1  -12   31   23 o   66.586   20.468   62.947   37.332   28.822   51.658  100.253   54.012   56.665   23.117   81.736   24.515 -25.07098 33.69513 
1 1 1  -12   31   24 o   69.518   21.521   69.420   41.191   69.420   41.191   0.0000   0.0000   69.518   21.521  ?   ?  0.000000 21.52115 
1 1 1  -12   31   25 o   87.624   16.548  105.855   34.882  114.234   43.703   91.147   57.902   89.298   20.085   78.010   25.667 11.28732 32.59179 
1 1 1  -12   31   26 o   64.301   18.658   58.287   31.719   61.233   39.099   52.616   54.246   65.766   21.051   64.413   24.456 1.353180 32.26878 
1 1 1  -12   31   27 o  141.833   12.883  264.851   45.131  261.908   56.877  269.854   74.157  138.632   16.770  136.410   22.558 2.222214 28.10909 
1 1 1  -12   31   28 o   63.148   18.537   56.148   31.147   52.661   37.882   63.424   54.721   61.789   20.774   67.935   24.798 -6.146305 32.34927 
1 1 1  -12   31   29 o   57.260   18.620   44.812   30.503   46.181   37.093   41.952   53.610   58.819   20.532   60.821   23.976 -2.001450 31.56590 
1 1 1  -12   31   30 o   57.547   18.579   45.475   30.404   41.574   36.693   54.020   54.308   56.734   20.363   64.639   24.488 -7.905243 31.84775 
1 1 1  -12   31   31 o  173.352   12.527  394.575   53.861  437.347   68.913  327.430   86.343  180.294   15.456  148.571   24.098 31.72314 28.62862 
1 1 1  -12   31   32 o   76.954   18.158   84.179   34.331   90.419   41.973   71.568   59.674   78.499   21.001   70.714   25.883 7.785217 33.33111 
1 1 1  -12   31   33 o   38.740   16.339   5.9556   27.044   16.873   31.634 -23.6923   52.131   45.055   18.196   44.351   20.415 0.7037315 27.34725 
1 1 1  -12   31   34 o   85.916   17.235  103.826   35.692   96.778   43.767  117.820   61.671   80.712   21.376   86.190   26.273 -5.478195 33.87060 
1 1 1  -12   31   35 o   83.250   17.349   98.082   34.896  115.693   42.801   63.165   60.267   89.172   19.742   67.415   25.734 21.75717 32.43491 
1 1 1  -12   31   36 o   44.795   17.619   19.915   28.892   19.258   33.596   21.778   56.613   46.443   18.753   55.116   23.461 -8.673569 30.03453 
1 1 1  -12   31   37 f   44.969   17.498   21.228   28.247   9.3585   32.638   56.651   56.383   42.492   17.937   64.265   24.801 -21.77292 30.60759 
1 1 1  -12   32    3 o   73.440   26.996  107.082   65.016  115.976   74.080   77.259  135.648   74.320   28.493   66.197   31.267 8.123108 42.30197 
1 1 1  -12   32    4 o   42.749   20.172 -26.8713   56.224  -7.5057   62.852 -104.4339  125.785   47.802   22.149   52.271   25.876 -4.468643 34.06154 
1 1 1  -12   32    5 o   52.117   22.785   22.420   56.269   6.7300   63.068   83.640  124.580   50.707   23.002   69.297   31.773 -18.58981 39.22483 
1 1 1  -12   32    6 o   64.722   25.496   67.944   60.587   84.025   68.131   7.1546  132.465   69.202   27.107   63.089   30.112 6.113503 40.51535 
1 1 1  -12   32    7 o   46.911   21.388  -5.7826   55.420 -14.0001   61.497   29.740  127.860   47.510   21.977   65.614   30.792 -18.10426 37.83075 
1 1 1  -12   32    8 o   26.482   12.675 -28.2018   23.817   4.5615   41.646 -44.1243   29.033   44.245   19.466   27.330   13.301 16.91529 23.57612 
1 1 1  -12   32    9 o   33.794   15.144  -6.0527   26.401   25.154   43.443 -24.3272   33.244   50.728   21.000   33.618   15.753 17.11069 26.25144 
1 1 1  -12   32   10 o   86.113   16.591  106.186   34.384  163.493   50.562   56.884   46.898  104.472   20.111   62.111   22.913 42.36118 30.48665 
1 1 1  -12   32   11 o   75.280   18.109   83.197   33.628   90.781   47.352   75.481   47.764   75.714   23.009   69.443   23.327 6.271011 32.76513 
1 1 1  -12   32   12 f   76.412   18.104   85.276   34.014  126.964   47.298   40.620   48.952   91.497   21.128   57.506   22.834 33.99145 31.10869 
1 1 1  -12   32   13 o   48.410   19.575   22.491   36.663   82.122   58.947 -15.1312   46.822   72.178   25.819   42.883   19.594 29.29490 32.41211 
1 1 1  -12   32   14 o  110.503   17.550  172.868   46.810  256.507   74.047  117.194   60.413  129.148   23.838   84.754   26.035 44.39440 35.29953 
1 1 1  -12   32   15 o   87.054   16.470  106.519   34.493  116.726   44.628   91.377   54.358   88.645   20.560   76.220   24.859 12.42484 32.25949 
1 1 1  -12   32   16 o   74.150   18.205   79.409   33.461  118.835   43.301   20.968   52.719   90.130   19.782   53.703   22.740 36.42684 30.13998 
1 1 1  -12   32   17 o   94.071   15.584  122.160   35.327  137.831   44.843   96.528   57.353   97.894   19.029   78.320   25.534 19.57471 31.84523 
1 1 1  -12   32   18 o   53.776   18.893   38.336   31.430   25.704   39.670   59.635   51.511   51.030   20.458   65.213   24.020 -14.18283 31.55159 
1 1 1  -12   32   19 o   61.757   18.673   54.418   31.245   51.828   39.256   58.896   51.611   60.953   21.131   65.079   24.031 -4.125992 32.00007 
1 1 1  -12   32   20 f   60.715   18.818   52.294   31.483   53.832   38.646   49.259   54.285   61.812   20.981   62.461   24.271 -0.6482277 32.08216 
1 1 1  -12   32   21 o   79.897   24.594   98.490   53.879   82.862   57.258  219.285  159.185   73.923   25.526  101.096   40.821 -27.17293 48.14499 
1 1 1  -12   32   22 o   94.758   40.477  179.251  169.603   0.0000   0.0000  179.251  169.603  ?   ?    94.758   40.477 0.000000 40.47687 
1 1 1  -12   32   23 o   67.367   23.989   64.953   50.829   65.151   53.055   62.738  177.316   67.631   24.458   81.655   37.611 -14.02314 44.86393 
1 1 1  -12   32   24 o   38.671   16.629   2.5998   28.969   27.190   36.199 -41.1930   48.309   50.601   19.776   39.537   18.670 11.06370 27.19616 
1 1 1  -12   32   25 o   52.620   18.700   35.687   30.872   57.217   37.987  -6.1899   52.979   63.390   20.787   48.040   21.495 15.35096 29.90211 
1 1 1  -12   32   26 o   39.082   16.764   3.2448   29.310   17.359   36.112 -23.9982   50.172   47.094   19.283   43.357   19.984 3.736763 27.77033 
1 1 1  -12   32   27 o  108.147   14.573  158.172   38.355  169.409   47.820  137.906   64.220  109.854   18.060   93.244   26.391 16.60950 31.97875 
1 1 1  -12   32   28 o   42.148   17.311   12.242   29.215   12.457   35.226   11.769   52.290   45.063   18.803   51.733   22.294 -6.669865 29.16435 
1 1 1  -12   32   29 o   28.931   13.725 -28.5485   26.687 -31.4792   30.874 -19.8892   53.071   31.252   14.808   45.335   20.768 -14.08322 25.50664 
1 1 1  -12   32   30 o   91.854   16.597  117.589   36.668  124.903   45.106  103.338   62.964   92.632   20.079   80.707   26.776 11.92457 33.46813 
1 1 1  -12   32   31 o  165.261   12.671  361.377   51.894  369.011   65.649  348.662   84.726  164.124   16.231  153.253   22.836 10.86996 28.01650 
1 1 1  -12   32   32 o   45.608   17.778   21.473   29.200  -3.5046   34.236   88.131   55.929   39.659   17.539   75.326   25.242 -35.66771 30.73717 
1 1 1  -12   32   33 o   96.389   16.265  129.483   37.757   99.985   45.791  192.135   66.735   81.140   22.032  111.037   24.705 -29.89735 33.10177 
1 1 1  -12   32   34 o   99.004   15.826  136.112   37.809  116.754   45.709  178.054   67.281   88.252   21.038  105.413   25.774 -17.16130 33.27042 
1 1 1  -12   32   35 o   90.082   17.245  115.565   37.380  138.152   44.907   64.607   67.452   97.369   19.151   67.577   26.813 29.79239 32.94973 
1 1 1  -12   32   36 o   49.674   18.247   31.398   29.697   31.533   34.668   31.025   57.555   51.016   19.508   56.861   23.901 -5.845589 30.85150 
1 1 1  -12   33    5 o   72.117   27.033  107.002   65.798  122.245   74.854   55.190  138.005   74.526   28.625   62.867   30.200 11.65928 41.61070 
1 1 1  -12   33    6 o   68.199   26.451   89.210   64.383   63.563   71.834  193.945  145.166   61.767   26.362   78.202   35.238 -16.43491 44.00797 
1 1 1  -12   33    7 o   47.637   21.694   2.1094   56.806 -15.6329   62.498   86.415  136.236   46.370   21.687   68.328   31.976 -21.95714 38.63663 
1 1 1  -12   33    8 f   43.899   20.351 -14.3353   53.154 -19.9318   57.873   15.850  134.405   44.616   20.867   62.783   30.065 -18.16751 36.59722 
1 1 1  -12   33    9 o   45.475   21.102 -15.3321   57.357 -21.0425   62.959   12.542  139.098   46.421   21.728   63.841   30.576 -17.42012 37.50991 
1 1 1  -12   33   10 o   50.572   18.524   35.088   30.573   34.083   48.850   35.735   39.199   53.940   22.294   52.451   20.556 1.488892 30.32474 
1 1 1  -12   33   11 o   86.773   17.396  110.591   36.383  131.695   53.370   92.268   49.730   89.365   23.575   74.449   23.732 14.91587 33.45118 
1 1 1  -12   33   12 o   65.715   19.398   65.761   34.024  103.234   49.298   31.677   47.016   79.409   23.324   53.387   21.948 26.02228 32.02677 
1 1 1  -12   33   13 o   53.355   18.662   39.991   30.651   87.616   43.828  -5.6005   42.882   74.347   22.035   42.551   19.165 31.79572 29.20305 
1 1 1  -12   33   14 o   35.652   16.052  -7.6396   30.049   7.1101   40.104 -26.5207   45.374   44.591   19.369   39.662   18.526 4.928631 26.80258 
1 1 1  -12   33   15 o   57.771   21.147   46.873   39.836  123.267   66.875   4.8581   49.595   84.176   27.579   47.854   21.139 36.32231 34.74876 
1 1 1  -12   33   16 o   93.425   20.441  131.323   46.363  196.865   70.648   81.744   61.445  109.209   26.234   71.394   26.244 37.81475 37.10758 
1 1 1  -12   33   17 o   58.729   19.153   49.876   32.266   36.181   41.490   70.837   51.327   54.381   21.194   67.891   24.113 -13.50926 32.10350 
1 1 1  -12   33   18 o   49.783   18.607   30.730   31.126   58.581   39.659 -13.9462   50.229   63.008   21.255   44.524   20.324 18.48402 29.40837 
1 1 1  -12   33   19 o   40.716   17.213   8.0818   30.129   12.911   37.521  -0.6832   50.550   45.642   19.247   47.436   21.127 -1.794033 28.58015 
1 1 1  -12   33   20 o   94.756   16.289  125.927   37.153  115.190   46.821  144.183   61.052   87.027   21.637   94.568   25.340 -7.540344 33.32067 
1 1 1  -12   33   21 o   67.584   21.986   68.596   42.528   78.510   69.442   62.645   53.796   71.710   27.565   65.773   24.485 5.937561 36.86908 
1 1 1  -12   33   22 o   49.138   19.722   23.853   36.918   24.694   37.806   6.5932  171.301   49.730   19.959   73.304   34.775 -23.57334 40.09548 
1 1 1  -12   33   23 o   59.203   19.330   49.993   32.864   27.717   39.311  101.697   59.891   51.289   20.431   79.413   26.103 -28.12455 33.14840 
1 1 1  -12   33   24 o   64.441   23.775   59.116   50.495   49.519   52.384  185.063  189.766   61.542   23.862   91.602   40.856 -30.06030 47.31417 
1 1 1  -12   33   25 f   59.243   23.054   44.160   49.037   56.247   50.838 -117.3527  185.837   63.525   23.772   66.947   32.809 -3.422405 40.51616 
1 1 1  -12   33   26 o   32.266   15.122 -25.0124   30.661 -53.8199   38.999   21.613   49.615   32.401   15.685   52.753   22.183 -20.35200 27.16855 
1 1 1  -12   33   27 o   43.770   17.835   15.546   30.707   33.322   37.533 -20.4313   53.397   52.810   20.273   44.954   20.681 7.855793 28.96077 
1 1 1  -12   33   28 o  126.906   13.950  217.624   43.479  219.284   54.123  214.602   73.010  124.468   17.930  116.051   25.855 8.416893 31.46412 
1 1 1  -12   33   29 o   56.519   19.211   44.600   32.399   46.939   38.830   39.239   58.780   58.341   20.946   59.695   24.540 -1.354305 32.26426 
1 1 1  -12   33   30 o   85.308   17.810  104.641   36.715   97.731   44.539  119.294   64.855   79.994   21.732   84.605   27.116 -4.610725 34.74947 
1 1 1  -12   33   31 o   74.344   18.494   80.913   34.192   60.834   40.821  128.121   62.593   64.102   21.565   87.965   26.392 -23.86285 34.08192 
1 1 1  -12   33   32 o   94.042   16.672  125.180   37.719  113.291   45.970  149.675   65.985   86.133   21.453   94.627   26.740 -8.493202 34.28218 
1 1 1  -12   33   33 o   42.136   17.285   13.892   29.084   8.0556   33.534   31.609   58.425   42.221   18.016   57.058   24.037 -14.83683 30.03944 
1 1 1  -12   33   34 f   58.871   19.188   50.549   32.386   43.548   37.954   69.296   62.107   56.241   20.633   67.461   26.031 -11.21951 33.21654 
1 1 1  -12   34    7 o   41.711   19.902 -28.6772   57.763 -36.6135   62.707   15.785  148.424   42.204   20.295   58.927   28.968 -16.72340 35.36995 
1 1 1  -12   34    8 o   58.771   25.050   56.621   64.700   22.909   71.368  212.155  153.294   53.114   24.238   76.494   35.136 -23.37957 42.68494 
1 1 1  -12   34    9 o   57.881   24.888   49.379   64.880   81.116   71.678 -94.5173  152.626   65.264   26.992   55.184   27.515 10.07944 38.54395 
1 1 1  -12   34   10 o   52.351   23.295   22.606   61.308   30.968   66.771 -22.3197  154.760   54.975   24.394   60.257   29.613 -5.282265 38.36669 
1 1 1  -12   34   11 o   50.043   22.563   10.403   59.616   26.748   64.549 -84.4344  155.482   54.264   24.036   57.584   28.553 -3.320339 37.32342 
1 1 1  -12   34   12 o   32.103   15.120 -23.8613   31.310   25.735   62.506 -40.4742   36.176   54.075   23.817   31.951   15.378 22.12397 28.35022 
1 1 1  -12   34   13 o   55.285   19.195   45.541   32.399   48.060   48.119   43.452   43.820   57.622   22.715   55.572   21.747 2.050571 31.44665 
1 1 1  -12   34   14 o   42.211   17.482   14.854   30.129 -21.4058   44.207   46.307   41.172   39.458   18.382   56.514   21.343 -17.05592 28.16753 
1 1 1  -12   34   15 o   77.107   18.469   89.787   35.093  150.258   48.798   25.011   50.505   98.622   20.484   52.042   22.156 46.57998 30.17370 
1 1 1  -12   34   16 o   35.179   15.904  -8.1518   29.856   0.7019   40.741 -18.4217   43.879   42.828   19.027   40.109   18.557 2.718658 26.57837 
1 1 1  -12   34   17 o   36.612   16.379  -4.9278   30.744   11.423   41.693 -24.4154   45.516   46.065   19.879   39.854   18.595 6.211323 27.22048 
1 1 1  -12   34   18 o   53.570   20.970   36.316   40.754  -4.0614   63.766   64.196   52.988   50.376   22.958   64.554   24.247 -14.17783 33.39184 
1 1 1  -12   34   19 o   37.215   17.125 -16.2994   36.638 -13.3608   58.716 -18.1732   46.886   47.266   21.724   41.776   19.277 5.490448 29.04340 
1 1 1  -12   34   20 o   55.756   23.064   34.200   52.349   0.0000   0.0000   34.200   52.349  ?   ?    55.756   23.064 0.000000 23.06418 
1 1 1  -12   34   21 o   45.191   18.558   17.686   33.569   30.092   40.965  -7.6719   58.567   51.802   20.781   48.405   22.038 3.396507 30.29062 
1 1 1  -12   34   22 o   75.625   18.874   85.243   35.530   82.510   44.575   90.006   58.837   72.430   22.382   73.812   25.854 -1.382713 34.19598 
1 1 1  -12   34   23 o   71.565   19.300   76.846   35.282   97.241   44.353   41.700   58.225   78.980   21.782   59.250   24.399 19.73035 32.70722 
1 1 1  -12   34   24 o   65.121   19.438   63.421   34.019   67.981   42.401   55.183   56.991   66.559   21.968   62.833   24.736 3.726631 33.08227 
1 1 1  -12   34   25 o   58.744   19.245   50.290   32.564   46.318   40.166   57.908   55.626   57.643   21.214   63.511   24.599 -5.867805 32.48318 
1 1 1  -12   34   26 o   33.128   15.393 -19.9021   30.673   5.3050   36.137 -84.8687   58.014   42.507   18.425   37.634   18.419 4.873028 26.05280 
1 1 1  -12   34   27 o   42.929   18.631   5.3953   37.045   1.9347   37.613  117.544  214.117   42.247   18.545   81.163   38.612 -38.91612 42.83475 
1 1 1  -12   34   28 o  149.024   20.865  332.251   75.517  289.071   79.162  769.013  251.767  135.010   24.377  146.631   53.241 -11.62013 58.55617 
1 1 1  -12   34   29 o   49.082   19.449   26.731   35.448   5.1507   43.395   70.011   61.454   45.484   19.944   67.367   25.922 -21.88273 32.70626 
1 1 1  -12   34   30 o   70.821   20.693   77.209   38.892   66.375   49.555   94.584   62.758   65.568   23.649   74.798   26.653 -9.230286 35.63256 
1 1 1  -12   34   31 o  100.473   16.417  143.750   39.768  154.831   48.283  120.375   70.126  101.699   19.723   81.931   28.252 19.76836 34.45554 
1 1 1  -12   34   32 o   50.255   18.799   32.775   31.786   9.1535   37.235   96.225   61.027   43.789   18.842   74.981   26.327 -31.19204 32.37453 
1 1 1  -12   35    9 o   43.051   20.631 -25.9014   63.539  -1.5216   68.789 -167.5774  165.827   47.399   22.350   50.367   25.553 -2.968460 33.94854 
1 1 1  -12   35   10 o   51.188   23.278   23.817   65.102   27.184   70.374   3.8371  171.423   52.520   24.006   58.675   29.240 -6.155434 37.83238 
1 1 1  -12   35   11 o   55.326   24.451   42.101   66.430   86.229   72.340 -195.3451  167.803   64.773   26.979   51.201   25.947 13.57211 37.43181 
1 1 1  -12   35   12 o   43.960   20.787 -21.0488   60.258 -32.0685   64.480   54.937  169.320   43.737   20.913   63.595   31.197 -19.85789 37.55770 
1 1 1  -12   35   13 o   62.852   26.085   70.967   67.276   96.631   72.611 -84.6864  178.819   68.849   27.651   58.031   29.062 10.81823 40.11406 
1 1 1  -12   35   14 o   39.034   18.757 -43.5406   53.314 -49.0515   56.030   9.2058  173.344   39.360   18.992   63.072   31.063 -23.71246 36.40949 
1 1 1  -12   35   15 o   37.229   16.499   0.3660   30.451 -20.2691   45.181   17.541   41.219   39.465   18.452   46.317   19.874 -6.851662 27.11893 
1 1 1  -12   35   16 o   43.981   17.919   20.066   30.991   41.978   45.136   0.5237   42.627   54.689   21.858   42.740   19.191 11.94979 29.08753 
1 1 1  -12   35   17 o   47.293   18.702   27.143   32.716   72.494   45.783 -20.1814   46.769   65.839   22.820   40.433   18.860 25.40574 29.60532 
1 1 1  -12   35   18 o   33.517   15.516 -15.8956   30.738   5.0845   42.268 -39.4445   44.780   43.959   19.462   36.530   17.456 7.428307 26.14320 
1 1 1  -12   35   19 o   52.482   20.951   35.356   41.414   12.498   71.397   46.945   50.840   53.963   24.477   57.650   23.143 -3.686390 33.68531 
1 1 1  -12   35   20 o   35.316   16.757 -32.7694   39.815 -38.0109   62.780 -29.2428   51.496   44.112   20.963   41.185   19.395 2.926872 28.55890 
1 1 1  -12   35   21 o   40.619   18.385  -6.4176   40.031   29.014   63.112 -30.2667   51.780   55.636   24.232   41.219   19.422 14.41735 31.05506 
1 1 1  -12   35   22 o   49.427   19.090   30.925   33.427   31.960   42.747   29.295   53.630   51.992   21.097   53.770   22.859 -1.778179 31.10714 
1 1 1  -12   35   23 o   44.319   18.365   17.039   33.274   2.0533   41.395   44.397   55.931   43.282   19.206   58.196   23.933 -14.91451 30.68661 
1 1 1  -12   35   24 o   51.922   19.521   36.437   34.359   12.299   42.890   79.675   57.404   46.466   20.107   68.828   25.356 -22.36256 32.36094 
1 1 1  -12   35   25 o  101.146   16.319  147.045   39.817  167.048   49.877  111.898   66.112  104.873   19.770   78.391   27.409 26.48199 33.79488 
1 1 1  -12   35   26 o  106.549   15.686  161.389   40.488  145.143   50.106  191.953   68.725   96.035   21.436  105.382   26.221 -9.346573 33.86857 
1 1 1  -12   35   27 f   95.778   17.211  134.021   39.652  140.607   48.764  121.168   68.123   94.711   21.152   80.958   27.849 13.75291 34.97155 
1 1 1  -12   35   28 o   52.114   19.481   37.076   34.122   19.523   41.157   75.668   61.026   47.842   20.166   67.439   25.860 -19.59684 32.79325 
1 1 1  -12   35   29 o   49.067   18.949   30.307   32.934   38.323   38.907   10.048   61.856   53.373   20.601   51.674   23.167 1.698872 31.00131 
1 1 1  -12   36   12 o   53.685   24.069   44.486   66.777   22.543   71.429  196.688  188.121   50.594   23.502   65.502   32.280 -14.90829 39.92894 
1 1 1  -12   36   13 o   55.520   24.571   50.502   67.308   56.820   72.332   9.7044  183.812   56.930   25.320   58.082   29.141 -1.152134 38.60384 
1 1 1  -12   36   14 o   76.683   28.273  136.781   71.388  112.265   76.450  303.740  199.505   68.983   28.129   74.228   35.823 -5.245079 45.54693 
1 1 1  -12   36   15 o   51.445   22.896   28.811   59.245   12.266   62.502  175.273  185.965   49.020   22.486   68.657   33.468 -19.63692 40.32022 
1 1 1  -12   36   16 o   50.153   22.470   21.398   58.092   42.158   61.362 -157.9547  180.359   54.906   23.904   53.891   27.264 1.014351 36.25945 
1 1 1  -12   36   17 o   48.698   18.976   33.171   33.257   52.850   47.955   14.937   46.161   56.938   22.603   46.273   20.420 10.66501 30.46073 
1 1 1  -12   36   18 o   41.158   18.422   2.6053   38.945  120.876   77.976 -36.7011   44.953   73.788   28.970   36.308   17.387 37.48060 33.78744 
1 1 1  -12   36   19 o   35.276   16.287 -12.8246   33.541   0.1937   43.696 -31.4955   52.330   42.521   19.230   40.152   19.098 2.368587 27.10233 
1 1 1  -12   36   20 o   28.222   13.763 -45.7011   31.532 -40.1424   42.258 -52.6837   47.362   34.764   16.703   35.367   17.160 -0.6031380 23.94708 
1 1 1  -12   36   21 o   62.998   20.195   64.569   35.974   59.578   47.597   71.218   54.939   60.119   22.889   63.752   24.515 -3.633270 33.53919 
1 1 1  -12   36   22 o   54.974   19.805   46.329   34.742   19.373   44.886   86.610   54.870   47.795   20.626   68.989   24.885 -21.19375 32.32141 
1 1 1  -12   36   23 o   59.508   22.367   57.105   45.101   43.325   71.083   66.391   58.351   58.211   25.525   62.625   24.910 -4.413925 35.66525 
1 1 1  -12   36   24 o   36.201   17.234 -33.7234   42.803 -63.8598   66.624 -12.5428   55.854   41.621   20.231   44.776   20.794 -3.154781 29.01142 
1 1 1  -12   36   25 o   92.846   18.724  132.781   41.913  162.124   52.452   80.949   69.713   99.652   21.693   66.616   26.974 33.03580 34.61463 
1 1 1  -12   36   26 o   62.448   20.459   62.917   36.803   57.999   45.601   72.106   62.331   59.979   22.501   64.427   25.708 -4.448021 34.16392 
1 1 1  -11  -38    1 o  102.410   21.100  198.785   52.165  343.840  265.495  192.960   53.202   56.796   29.108   99.084   22.068 -42.28778 36.52744 
1 1 1  -11  -38    2 f   43.399   17.288   31.695   28.144  265.710  273.629   29.193   28.294   52.565   27.065   42.410   17.180 10.15450 32.05705 
1 1 1  -11  -37    1 o   71.580   18.952   88.246   34.409  185.757  103.531   76.138   36.483   72.537   31.314   64.612   20.295 7.924957 37.31573 
1 1 1  -11  -37    2 o   38.924   16.156   17.603   25.812   71.317  256.002   17.052   25.944   55.534   28.469   38.752   16.150 16.78208 32.73103 
1 1 1  -11  -37    3 o   48.488   18.047   41.009   29.221  -3.9420  273.415   41.528   29.389   52.144   26.858   48.705   18.104 3.439762 32.39031 
1 1 1  -11  -37    4 o   93.454   21.775  173.863   49.874  284.700  299.997  170.713   50.578   53.501   27.584   91.441   22.341 -37.94042 35.49580 
1 1 1  -11  -36    1 o   84.746   18.076  114.023   37.087  163.066   98.204  105.865   40.053   76.070   31.539   79.269   20.181 -3.198853 37.44272 
1 1 1  -11  -36    2 o   54.400   18.210   48.486   29.107   82.660   97.111   45.113   30.510   61.102   28.029   52.609   18.601 8.493607 33.63961 
1 1 1  -11  -36    3 o   68.948   19.909   83.885   36.193  394.015  278.831   78.570   36.502   66.470   33.658   66.245   20.218 0.2253494 39.26376 
1 1 1  -11  -36    4 o   27.494   12.771 -10.4781   21.084   35.845  282.702 -10.7372   21.143   56.012   28.785   27.466   12.768 28.54596 31.48936 
1 1 1  -11  -36    5 o   95.819   21.539  173.167   50.284 -97.3498  288.015  181.671   51.068   51.866   26.753   98.563   21.365 -46.69659 34.23735 
1 1 1  -11  -36    6 o   73.697   21.499  110.559   42.012 -323.8285  299.828  119.258   42.431   47.544   24.639   77.299   21.299 -29.75515 32.56884 
1 1 1  -11  -35    1 f   78.902   32.501  157.262  103.353  157.262  103.353   0.0000   0.0000   78.902   32.501  ?   ?  0.000000 32.50074 
1 1 1  -11  -35    2 o  139.584   18.075  298.896   61.524  114.965  109.831  383.004   74.270   69.302   30.984  155.812   19.516 -86.50967 36.61789 
1 1 1  -11  -35    3 o   53.641   18.341   45.546   29.534  -8.6514   93.320   51.579   31.135   52.003   24.942   56.450   18.834 -4.447178 31.25398 
1 1 1  -11  -35    4 o   64.582   19.371   70.486   33.722  171.073  278.157   68.986   33.972   64.667   32.837   63.751   19.513 0.9151001 38.19744 
1 1 1  -11  -35    5 o   52.628   18.529   45.885   30.242 -60.6604  279.696   47.145   30.420   57.333   29.417   53.211   18.593 4.122211 34.79979 
1 1 1  -11  -35    6 o   39.328   16.224   17.781   25.803  131.555  295.148   16.904   25.903   58.418   29.989   39.024   16.190 19.39344 34.08023 
1 1 1  -11  -35    7 o   51.847   18.797   47.892   31.364  263.633  307.037   45.617   31.528   57.589   29.600   50.814   18.779 6.774826 35.05434 
1 1 1  -11  -34    1 o   60.082   18.481   54.480   30.430  141.434   93.830   44.260   32.168   81.991   31.895   55.005   19.125 26.98650 37.18954 
1 1 1  -11  -34    2 o   60.629   27.735   33.136   94.176   33.136   94.176   0.0000   0.0000   60.629   27.735  ?   ?  0.000000 27.73464 
1 1 1  -11  -34    3 o   34.428   14.635   5.7195   21.976   67.791   92.976   2.0467   22.616   64.409   28.672   33.447   14.537 30.96214 32.14693 
1 1 1  -11  -34    4 f   35.144   14.768   8.0246   21.962   39.891   85.544   5.7761   22.723   58.336   26.588   34.688   14.816 23.64828 30.43755 
1 1 1  -11  -34    5 o   98.576   17.693  150.057   41.954  128.367   96.875  155.065   46.546   71.514   30.571   98.016   19.700 -26.50226 36.36820 
1 1 1  -11  -34    6 o   30.098   13.492  -3.2090   20.974 -103.5688  263.614  -2.5697   21.040   58.747   30.021   30.352   13.566 28.39508 32.94403 
1 1 1  -11  -34    7 o  116.959   19.701  227.368   55.496  541.024  308.214  216.859   56.418   70.829   35.810  112.554   20.840 -41.72535 41.43283 
1 1 1  -11  -34    8 o   71.687   20.729   93.948   39.209 -322.3670  312.707  100.598   39.521   52.761   27.241   74.624   20.554 -21.86275 34.12502 
1 1 1  -11  -33    1 o   99.315   17.015  139.976   40.680  112.280   96.017  146.034   44.909   79.787   31.884  100.351   18.606 -20.56367 36.91547 
1 1 1  -11  -33    2 o   77.570   17.981   88.559   34.152   87.102   93.175   88.785   36.707   72.905   30.514   76.910   19.178 -4.005188 36.04033 
1 1 1  -11  -33    3 o   57.489   26.500   5.8275   88.250   5.8275   88.250   0.0000   0.0000   57.489   26.500  ?   ?  0.000000 26.49951 
1 1 1  -11  -33    4 f   45.870   16.813   27.685   25.192   59.513   89.240   24.929   26.260   64.677   28.474   44.834   17.018 19.84294 33.17171 
1 1 1  -11  -33    5 o   48.517   17.509   33.028   27.167 -25.8119   92.367   38.600   28.425   52.555   25.101   51.378   17.971 1.176678 30.87121 
1 1 1  -11  -33    6 o   56.724   18.376   50.158   29.726   26.957   95.969   52.620   31.264   58.105   27.074   57.800   18.853 0.3046150 32.99177 
1 1 1  -11  -33    7 o   51.417   18.178   40.337   29.135   0.0000   0.0000   40.337   29.135  ?   ?    51.417   18.178 0.000000 18.17754 
1 1 1  -11  -32    1 o  126.782   18.335  224.623   56.363   0.0000   0.0000  224.623   56.363  ?   ?   126.782   18.335 0.000000 18.33516 
1 1 1  -11  -32    2 o   54.751   17.750   41.420   27.730   36.898   84.752   41.962   29.345   65.325   28.266   55.203   18.278 10.12233 33.66080 
1 1 1  -11  -32    3 o   86.109   17.532  106.136   36.418  119.905   91.953  103.575   39.661   82.409   31.709   83.938   19.322 -1.528610 37.13211 
1 1 1  -11  -32    4 o   59.388   18.457   51.523   30.263 -25.3659   86.302   62.303   32.315   54.230   25.401   64.784   18.843 -10.55415 31.62728 
1 1 1  -11  -32    5 o   48.462   23.224 -54.2516   80.520 -54.2516   80.520   0.0000   0.0000   48.462   23.224  ?   ?  0.000000 23.22378 
1 1 1  -11  -32    6 o   69.445   19.455   74.839   35.087 -100.0591   93.588  103.444   37.848   47.079   23.115   82.474   18.795 -35.39480 29.79208 
1 1 1  -11  -32    7 o   58.815   18.417   53.157   30.067   85.342   92.696   49.372   31.786   68.224   29.541   56.787   19.029 11.43636 35.13911 
1 1 1  -11  -32    8 o  134.027   20.014  282.613   64.932   0.0000   0.0000  282.613   64.932  ?   ?   134.027   20.014 0.000000 20.01382 
1 1 1  -11  -32    9 o   56.997   19.160   52.065   32.224   0.0000   0.0000   52.065   32.224  ?   ?    56.997   19.160 0.000000 19.15972 
1 1 1  -11  -32   10 o   53.916   18.818   46.675   31.159   0.0000   0.0000   46.675   31.159  ?   ?    53.916   18.818 0.000000 18.81838 
1 1 1  -11  -32   11 o   75.057   20.738   99.167   40.160   0.0000   0.0000   99.167   40.160  ?   ?    75.057   20.738 0.000000 20.73794 
1 1 1  -11  -31    1 o  104.736   16.754  149.038   42.342   81.214   90.438  168.078   47.918   78.816   31.118  110.728   17.944 -31.91163 35.92087 
1 1 1  -11  -31    2 o  127.586   18.359  224.634   56.808   0.0000   0.0000  224.634   56.808  ?   ?   127.586   18.359 0.000000 18.35889 
1 1 1  -11  -31    3 o   89.363   17.752  111.897   38.218   54.442   90.007  124.534   42.212   71.077   29.883   93.893   18.661 -22.81664 35.23110 
1 1 1  -11  -31    4 o  107.349   17.449  161.100   45.169   21.073   90.009  208.234   52.221   64.016   28.368  122.163   17.628 -58.14703 33.39925 
1 1 1  -11  -31    5 o  103.775   17.298  151.966   43.249   61.269   91.203  178.278   49.123   70.192   29.825  111.896   18.206 -41.70432 34.94254 
1 1 1  -11  -31    6 o   49.925   23.653 -44.4799   78.754 -44.4799   78.754   0.0000   0.0000   49.925   23.653  ?   ?  0.000000 23.65336 
1 1 1  -11  -31    7 o   74.519   19.021   83.784   35.516  -9.8446   89.979  101.064   38.655   56.303   26.228   81.883   19.232 -25.58002 32.52379 
1 1 1  -11  -31    8 o   31.465   13.875  -1.9745   21.275 -41.2346   85.448   0.6203   21.967   50.559   24.146   32.843   14.301 17.71570 28.06331 
1 1 1  -11  -31    9 o   50.927   17.929   37.422   28.314   17.408   91.809   39.525   29.765   57.879   26.802   52.069   18.377 5.810150 32.49653 
1 1 1  -11  -31   10 o   43.083   17.011   21.667   27.028   0.0000   0.0000   21.667   27.028  ?   ?    43.083   17.011 0.000000 17.01102 
1 1 1  -11  -31   11 o   44.350   17.285   25.109   27.596   0.0000   0.0000   25.109   27.596  ?   ?    44.350   17.285 0.000000 17.28461 
1 1 1  -11  -31   12 o   63.707   20.137   69.125   35.863   0.0000   0.0000   69.125   35.863  ?   ?    63.707   20.137 0.000000 20.13687 
1 1 1  -11  -30    1 o  148.697   16.096  292.324   58.813  169.683  104.921  348.517   71.020  104.239   34.564  161.468   17.915 -57.22900 38.93071 
1 1 1  -11  -30    2 o   72.224   18.824   72.410   34.295   19.881   84.897   82.654   37.490   65.873   28.397   76.963   19.487 -11.09003 34.44028 
1 1 1  -11  -30    3 o  129.716   16.937  226.846   53.555   75.935  104.048  281.237   62.465   80.006   32.742  144.133   17.729 -64.12704 37.23363 
1 1 1  -11  -30    4 o  102.743   16.913  144.279   41.884   95.971   90.685  157.379   47.223   81.722   31.477  106.599   18.405 -24.87621 36.46294 
1 1 1  -11  -30    5 o   88.370   17.043  108.370   36.246  135.675   83.801  102.087   40.201   91.056   30.896   84.531   19.449 6.525032 36.50793 
1 1 1  -11  -30    6 o   49.564   17.398   31.449   26.651   68.483   79.980   26.823   28.267   71.769   28.950   47.805   17.758 23.96442 33.96290 
1 1 1  -11  -30    7 o   52.224   24.323 -29.6271   77.311 -29.6271   77.311   0.0000   0.0000   52.224   24.323  ?   ?  0.000000 24.32279 
1 1 1  -11  -30    8 o  121.152   17.284  208.279   50.809   83.456   98.767  253.200   59.250   73.682   31.158  132.751   18.365 -59.06926 36.16778 
1 1 1  -11  -30    9 o   87.815   19.368  115.962   41.331 -56.7613   93.004  158.469   46.138   51.760   24.845  103.838   18.470 -52.07732 30.95858 
1 1 1  -11  -30   10 o   59.146   18.975   52.945   31.753 -78.7941   90.181   71.588   33.925   48.090   23.412   68.199   19.139 -20.10874 30.23968 
1 1 1  -11  -30   11 o   41.980   16.792   18.557   26.663   0.0000   0.0000   18.557   26.663  ?   ?    41.980   16.792 0.000000 16.79226 
1 1 1  -11  -30   12 o   44.734   17.366   25.034   27.772   0.0000   0.0000   25.034   27.772  ?   ?    44.734   17.366 0.000000 17.36594 
1 1 1  -11  -30   13 f   44.869   17.672   25.500   29.100   0.0000   0.0000   25.500   29.100  ?   ?    44.869   17.672 0.000000 17.67175 
1 1 1  -11  -29    1 o  112.061   16.780  166.638   45.513   52.520   87.859  208.495   53.209   74.985   30.309  125.289   17.483 -50.30373 34.99037 
1 1 1  -11  -29    2 o  179.485   17.340  425.489   76.751  125.761  122.809  617.588   98.317   95.716   36.689  215.777   18.423 -120.0613 41.05433 
1 1 1  -11  -29    3 o   81.404   17.868   90.501   35.325  109.303   86.243   86.711   38.723   87.915   31.254   79.140   19.677 8.775490 36.93210 
1 1 1  -11  -29    4 o  141.582   16.696  267.134   57.894   76.757  100.788  360.882   70.727   80.981   32.558  164.312   17.507 -83.33108 36.96614 
1 1 1  -11  -29    5 o   82.019   19.524   94.317   39.412   0.0000   0.0000   94.317   39.412  ?   ?    82.019   19.524 0.000000 19.52386 
1 1 1  -11  -29    6 o   63.895   18.656   56.865   31.622 -40.5190   80.146   74.820   34.414   53.603   24.898   72.911   18.785 -19.30878 31.18965 
1 1 1  -11  -29    7 o  106.380   17.658  156.666   45.263   9.5935   92.216  203.345   51.952   63.962   28.508  121.469   17.643 -57.50718 33.52605 
1 1 1  -11  -29    8 o  154.195   17.915  330.232   67.698   55.838  116.673  469.504   83.122   74.479   32.679  183.633   18.373 -109.1541 37.48956 
1 1 1  -11  -29    9 o   41.850   16.721   15.556   26.401 -33.4660   81.854   21.248   27.892   53.104   24.831   44.905   17.412 8.199005 30.32681 
1 1 1  -11  -29   10 o   59.765   18.855   52.072   31.455   15.971   89.298   57.186   33.609   60.928   27.529   62.243   19.468 -1.315182 33.71706 
1 1 1  -11  -29   11 o   95.537   18.525  134.876   42.601   55.376   99.623  152.667   47.127   67.100   29.785  101.075   19.376 -33.97535 35.53255 
1 1 1  -11  -29   12 o   38.404   16.049   9.8753   25.716   0.0000   0.0000   9.8753   25.716  ?   ?    38.404   16.049 0.000000 16.04865 
1 1 1  -11  -29   14 o   51.523   18.734   39.179   31.188   0.0000   0.0000   39.179   31.188  ?   ?    51.523   18.734 0.000000 18.73391 
1 1 1  -11  -29   15 f  100.452   20.663  165.689   50.103   0.0000   0.0000  165.689   50.103  ?   ?   100.452   20.663 0.000000 20.66298 
1 1 1  -11  -28    1 o  179.094   16.775  418.438   74.147  152.048  117.338  595.527   95.669  103.426   36.488  213.169   18.145 -109.7425 40.75076 
1 1 1  -11  -28    2 o   83.094   30.016   88.810   79.872   88.810   79.872   0.0000   0.0000   83.094   30.016  ?   ?  0.000000 30.01575 
1 1 1  -11  -28    3 o  133.961   17.577  237.702   57.381 -53.5335   96.261  398.223   71.466   59.547   27.528  174.363   16.614 -114.8159 32.15297 
1 1 1  -11  -28    4 o  154.173   17.326  314.332   65.550   11.137  106.395  499.834   83.221   71.658   31.329  194.811   17.286 -123.1528 35.78184 
1 1 1  -11  -28    5 f   93.674   16.622  117.789   37.459  161.089   81.267  106.107   42.210  103.921   29.782   87.686   19.751 16.23463 35.73645 
1 1 1  -11  -28    6 o   59.468   19.096   46.954   32.152   0.0000   0.0000   46.954   32.152  ?   ?    59.468   19.096 0.000000 19.09550 
1 1 1  -11  -28    7 o  124.410   17.577  209.501   53.087 -15.7682   95.800  309.334   63.775   62.756   28.420  151.813   17.122 -89.05626 33.17880 
1 1 1  -11  -28    8 o   78.673   17.809   86.197   34.173  120.577   85.779   79.711   37.258   88.208   31.189   74.999   19.655 13.20873 36.86616 
1 1 1  -11  -28    9 o   78.833   17.744   87.275   34.088  163.661   88.994   74.141   36.902   98.949   31.769   71.882   19.887 27.06679 37.47987 
1 1 1  -11  -28   10 o   75.057   30.173   79.571   86.556   79.571   86.556   0.0000   0.0000   75.057   30.173  ?   ?  0.000000 30.17313 
1 1 1  -11  -28   11 o   50.281   18.345   31.973   29.943   0.0000   0.0000   31.973   29.943  ?   ?    50.281   18.345 0.000000 18.34484 
1 1 1  -11  -28   12 o   46.935   22.742 -81.7884   82.438 -81.7884   82.438   0.0000   0.0000   46.935   22.742  ?   ?  0.000000 22.74157 
1 1 1  -11  -28   13 o   43.842   17.485   19.655   28.821   0.0000   0.0000   19.655   28.821  ?   ?    43.842   17.485 0.000000 17.48496 
1 1 1  -11  -28   14 o   56.574   19.255   47.963   32.549   0.0000   0.0000   47.963   32.549  ?   ?    56.574   19.255 0.000000 19.25489 
1 1 1  -11  -28   15 f   44.713   17.565   23.719   28.681   0.0000   0.0000   23.719   28.681  ?   ?    44.713   17.565 0.000000 17.56521 
1 1 1  -11  -28   16 o   34.600   15.188   1.3327   25.224   0.0000   0.0000   1.3327   25.224  ?   ?    34.600   15.188 0.000000 15.18751 
1 1 1  -11  -27    1 o  125.734   14.804  204.981   45.592  254.032   85.535  185.513   53.886  135.452   26.235  118.171   18.897 17.28114 32.33250 
1 1 1  -11  -27    2 o  129.301   16.463  218.714   51.952   47.412   90.822  302.026   63.338   75.688   30.738  152.044   16.971 -76.35622 35.11216 
1 1 1  -11  -27    3 o  161.839   26.385  362.659  102.957  362.659  102.957   0.0000   0.0000  161.839   26.385  ?   ?  0.000000 26.38458 
1 1 1  -11  -27    4 o  130.188   17.094  223.243   54.230 -15.9003   91.927  350.889   67.161   63.789   28.445  163.846   16.646 -100.0576 32.95737 
1 1 1  -11  -27    5 o   46.707   17.337   22.846   26.932  122.836   75.170   8.1211   28.847   92.907   29.124   41.540   17.147 51.36764 33.79709 
1 1 1  -11  -27    6 o  165.405   17.233  360.836   70.135   67.464  113.538  541.852   89.185   83.233   34.149  202.657   17.803 -119.4239 38.51109 
1 1 1  -11  -27    7 o  244.380   21.652  810.992  130.768   0.0000   0.0000  810.992  130.768  ?   ?   244.380   21.652 0.000000 21.65246 
1 1 1  -11  -27    8 o  110.479   17.560  164.723   46.825   5.8241   91.916  220.413   54.415   65.697   28.911  128.160   17.457 -62.46328 33.77242 
1 1 1  -11  -27    9 o   68.301   18.718   64.841   32.874  -6.2244   82.134   78.397   35.873   60.068   26.829   74.886   19.117 -14.81717 32.94338 
1 1 1  -11  -27   10 o   66.931   19.553   62.969   34.730   0.0000   0.0000   62.969   34.730  ?   ?    66.931   19.553 0.000000 19.55336 
1 1 1  -11  -27   11 o   68.192   28.844   43.734   84.677   43.734   84.677   0.0000   0.0000   68.192   28.844  ?   ?  0.000000 28.84413 
1 1 1  -11  -27   12 o  192.506   18.339  517.149   87.093  205.962  140.706  710.419  110.888  100.139   39.029  223.544   20.078 -123.4053 43.89086 
1 1 1  -11  -27   13 o  102.229   18.377  150.054   45.189   32.286   98.764  181.237   50.821   66.067   29.470  112.230   18.798 -46.16354 34.95540 
1 1 1  -11  -27   14 o   76.682   19.018   87.761   36.239   68.333   96.167   90.977   39.123   69.962   30.191   77.430   20.069 -7.467690 36.25262 
1 1 1  -11  -27   15 f   83.536   20.462  108.209   42.346   0.0000   0.0000  108.209   42.346  ?   ?    83.536   20.462 0.000000 20.46172 
1 1 1  -11  -27   16 o   61.577   20.147   59.213   35.694   0.0000   0.0000   59.213   35.694  ?   ?    61.577   20.147 0.000000 20.14738 
1 1 1  -11  -27   17 o   43.449   17.432   20.677   28.827   0.0000   0.0000   20.677   28.827  ?   ?    43.449   17.432 0.000000 17.43191 
1 1 1  -11  -26    1 o  135.395   15.133  237.084   50.291  182.424   87.282  264.249   61.531  113.470   30.251  142.163   17.717 -28.69282 35.05737 
1 1 1  -11  -26    2 o  141.251   15.717  258.711   54.497  126.220   91.647  331.187   67.784   96.216   32.312  159.433   17.303 -63.21705 36.65313 
1 1 1  -11  -26    3 f  234.784   16.632  713.164   96.882  494.266  144.897  890.147  130.288  186.390   32.301  260.342   20.199 -73.95235 38.09642 
1 1 1  -11  -26    4 o  116.809   29.298  194.453   85.311  194.453   85.311   0.0000   0.0000  116.809   29.298  ?   ?  0.000000 29.29797 
1 1 1  -11  -26    5 o  103.035   17.642  141.120   43.761 -11.2365   80.881  204.183   52.036   60.951   26.957  124.554   17.188 -63.60329 31.96993 
1 1 1  -11  -26    6 o  302.898   19.915  1210.41  149.795  661.883  217.993  1701.11  206.183  203.065   44.240  355.821   23.334 -152.7557 50.01655 
1 1 1  -11  -26    7 o  149.907   16.006  293.788   58.991  165.072  101.141  360.152   72.624  105.660   33.862  165.257   17.883 -59.59673 38.29406 
1 1 1  -11  -26    8 o  127.118   16.964  214.007   52.508   38.047   96.025  289.061   62.714   73.831   30.945  147.857   17.313 -74.02625 35.45844 
1 1 1  -11  -26    9 o   59.386   19.060   46.392   32.037 -24.9699   93.891   55.796   34.082   62.028   28.108   64.273   19.518 -2.244961 34.22054 
1 1 1  -11  -26   10 o   63.712   18.973   55.391   32.437   47.110   84.374   56.827   35.137   71.550   29.406   64.584   19.858 6.965996 35.48324 
1 1 1  -11  -26   11 o   25.382   12.142 -28.4428   21.795 -32.4586   80.140 -28.1220   22.649   55.199   25.373   26.162   12.477 29.03682 28.27495 
1 1 1  -11  -26   12 o   48.764   23.206 -69.7727   77.473 -69.7727   77.473   0.0000   0.0000   48.764   23.206  ?   ?  0.000000 23.20642 
1 1 1  -11  -26   13 o  134.109   16.665  245.835   54.607  166.054  105.119  275.322   63.907   96.955   34.501  140.532   18.673 -43.57690 39.22963 
1 1 1  -11  -26   14 o  154.253   17.398  330.784   65.845  140.411  117.927  417.020   79.370   87.996   35.274  171.946   18.791 -83.94997 39.96684 
1 1 1  -11  -26   15 o  110.231   18.874  175.954   50.086 -25.1776  105.325  234.728   56.936   59.387   27.895  128.067   18.326 -68.67961 33.37600 
1 1 1  -11  -26   16 o   79.705   20.260   97.158   40.411   0.0000   0.0000   97.158   40.411  ?   ?    79.705   20.260 0.000000 20.25965 
1 1 1  -11  -26   17 o   36.000   15.577   2.8876   25.741   0.0000   0.0000   2.8876   25.741  ?   ?    36.000   15.577 0.000000 15.57726 
1 1 1  -11  -26   18 o  100.593   20.751  159.444   50.396   0.0000   0.0000  159.444   50.396  ?   ?   100.593   20.751 0.000000 20.75098 
1 1 1  -11  -25    1 o   69.359   19.632   64.020   35.537   0.0000   0.0000   64.020   35.537  ?   ?    69.359   19.632 0.000000 19.63208 
1 1 1  -11  -25    2 f  100.661   17.414  133.714   42.190 -31.8982   75.696  208.344   50.814   55.956   25.308  126.501   16.477 -70.54405 30.19938 
1 1 1  -11  -25    3 f   56.981   18.255   41.252   29.397  -8.7732   61.477   56.081   33.472   54.048   23.717   65.169   19.241 -11.12180 30.54075 
1 1 1  -11  -25    4 o  119.143   16.529  185.567   47.852   25.697   81.566  269.469   59.090   68.831   28.657  143.871   16.761 -75.04051 33.19888 
1 1 1  -11  -25    5 o  133.065   15.622  229.948   50.921  155.620   86.253  269.714   63.089  104.729   30.877  143.390   18.017 -38.66042 35.74940 
1 1 1  -11  -25    6 o  199.138   15.322  511.551   75.609  457.160  119.283  548.082   97.755  182.216   27.034  204.243   19.399 -22.02670 33.27437 
1 1 1  -11  -25    7 o   84.882   17.780   96.668   36.481   83.811   78.536  100.205   41.195   81.998   29.742   85.968   19.622 -3.969910 35.63105 
1 1 1  -11  -25    8 o  147.277   16.404  283.520   59.306   99.863  100.165  382.656   73.591   89.136   33.366  170.851   17.495 -81.71516 37.67440 
1 1 1  -11  -25    9 o  171.428   16.842  385.036   71.168  174.798  120.462  497.760   88.207  108.178   37.041  194.255   18.403 -86.07699 41.36098 
1 1 1  -11  -25   11 o   54.548   18.692   37.151   30.675   89.275   82.076   28.689   33.072   82.098   30.307   51.476   19.191 30.62268 35.87207 
1 1 1  -11  -25   12 o   94.972   17.782  123.025   40.623   87.138   89.549  132.324   45.584   81.529   31.311   97.890   19.333 -16.36015 36.79857 
1 1 1  -11  -25   13 o   93.127   18.495  120.200   41.494   35.454   90.170  142.967   46.736   69.366   29.569  101.434   19.153 -32.06841 35.23012 
1 1 1  -11  -25   14 o   82.387   19.424   96.555   39.311  105.577   92.762   94.580   43.401   83.593   31.923   80.756   21.238 2.837387 38.34248 
1 1 1  -11  -25   15 f  178.654   17.678  440.474   77.832  200.308  130.785  572.176   96.850  101.269   38.083  201.814   19.459 -100.5456 42.76624 
1 1 1  -11  -25   16 o   67.623   19.392   67.013   34.445   24.409   96.302   73.263   36.885   64.903   29.015   70.387   20.028 -5.483498 35.25631 
1 1 1  -11  -25   17 o   66.924   20.178   67.418   36.520   0.0000   0.0000   67.418   36.520  ?   ?    66.924   20.178 0.000000 20.17761 
1 1 1  -11  -25   18 o   63.648   20.101   61.795   35.742   0.0000   0.0000   61.795   35.742  ?   ?    63.648   20.101 0.000000 20.10121 
1 1 1  -11  -25   19 o   39.536   16.569   10.576   27.527   0.0000   0.0000   10.576   27.527  ?   ?    39.536   16.569 0.000000 16.56927 
1 1 1  -11  -25   20 o   35.659   15.685   0.6057   27.030   0.0000   0.0000   0.6057   27.030  ?   ?    35.659   15.685 0.000000 15.68528 
1 1 1  -11  -24    1 o  200.461   14.407  513.516   71.641  523.297  110.361  506.392   94.182  199.136   22.593  197.259   19.370 1.876373 29.75934 
1 1 1  -11  -24    2 o  164.760   18.505  353.543   74.821   0.0000   0.0000  353.543   74.821  ?   ?   164.760   18.505 0.000000 18.50542 
1 1 1  -11  -24    3 o   82.641   17.460   90.838   34.903   54.585   65.819  105.021   41.168   71.725   27.008   88.588   19.166 -16.86305 33.11757 
1 1 1  -11  -24    4 o   81.197   17.303   87.751   34.010  113.760   64.549   77.756   40.015   91.189   26.662   76.055   20.572 15.13365 33.67616 
1 1 1  -11  -24    5 o   93.753   16.185  115.613   36.522  144.222   70.375  105.068   42.726  101.888   27.164   88.348   19.850 13.54011 33.64380 
1 1 1  -11  -24    6 f  141.473   14.948  258.437   52.009  208.395   86.892  286.374   64.923  121.688   29.005  147.977   17.936 -26.28907 34.10247 
1 1 1  -11  -24    7 o   59.078   25.373   4.1828   67.296   4.1828   67.296   0.0000   0.0000   59.078   25.373  ?   ?  0.000000 25.37288 
1 1 1  -11  -24    8 o  151.842   18.567  303.294   68.934   0.0000   0.0000  303.294   68.934  ?   ?   151.842   18.567 0.000000 18.56658 
1 1 1  -11  -24    9 o  188.902   25.982  489.191  119.320  489.191  119.320   0.0000   0.0000  188.902   25.982  ?   ?  0.000000 25.98242 
1 1 1  -11  -24   10 o   69.724   19.183   65.715   34.448   33.460   80.519   72.942   38.111   69.462   28.658   73.273   20.185 -3.810684 35.05314 
1 1 1  -11  -24   11 o  135.839   18.693  245.839   61.729   0.0000   0.0000  245.839   61.729  ?   ?   135.839   18.693 0.000000 18.69280 
1 1 1  -11  -24   12 o   64.162   19.235   55.424   33.256   62.342   81.205   54.030   36.453   75.501   29.588   63.813   20.316 11.68797 35.89121 
1 1 1  -11  -24   13 o   90.909   18.421  112.989   40.386   99.001   89.786  116.536   45.218   85.282   31.655   91.622   20.298 -6.339844 37.60390 
1 1 1  -11  -24   14 o  106.103   17.687  153.099   45.215   74.685   93.510  177.025   51.654   78.804   31.474  113.660   18.860 -34.85596 36.69206 
1 1 1  -11  -24   15 o   88.474   32.634  120.840   95.126  120.840   95.126   0.0000   0.0000   88.474   32.634  ?   ?  0.000000 32.63394 
1 1 1  -11  -24   16 o   61.275   19.497   52.345   33.578 -36.3405   92.416   65.834   36.041   57.348   26.670   67.851   19.947 -10.50282 33.30448 
1 1 1  -11  -24   17 o   57.812   18.986   46.551   31.686   55.078   94.132   45.462   33.649   70.588   30.154   57.499   19.578 13.08932 35.95180 
1 1 1  -11  -24   18 o  104.427   19.893  160.114   49.983   0.0000   0.0000  160.114   49.983  ?   ?   104.427   19.893 0.000000 19.89349 
1 1 1  -11  -24   19 o   36.808   15.874   3.0115   26.555   0.0000   0.0000   3.0115   26.555  ?   ?    36.808   15.874 0.000000 15.87447 
1 1 1  -11  -24   20 o   83.606   20.685  108.972   42.950   0.0000   0.0000  108.972   42.950  ?   ?    83.606   20.685 0.000000 20.68531 
1 1 1  -11  -24   21 o   76.892   21.095   95.113   41.727   0.0000   0.0000   95.113   41.727  ?   ?    76.892   21.095 0.000000 21.09525 
1 1 1  -11  -23    1 o  218.048   15.307  607.838   82.822  478.516  122.895  715.447  112.104  188.736   26.831  235.108   19.263 -46.37227 33.02967 
1 1 1  -11  -23    2 o   62.718   18.108   51.641   29.943   11.782   59.470   65.178   34.657   58.138   24.359   70.036   19.230 -11.89800 31.03446 
1 1 1  -11  -23    3 o   63.700   18.095   53.501   30.135   40.581   59.676   57.923   34.913   65.968   25.499   66.409   19.663 -0.4408188 32.19976 
1 1 1  -11  -23    4 o  230.870   20.519  695.667  117.064   0.0000   0.0000  695.667  117.064  ?   ?   230.870   20.519 0.000000 20.51912 
1 1 1  -11  -23    5 o   54.023   17.921   35.934   28.204   62.484   60.900   28.684   31.823   72.991   26.229   51.769   18.908 21.22158 32.33432 
1 1 1  -11  -23    6 o   94.379   16.382  117.127   37.210  140.137   71.322  108.522   43.616  100.588   27.573   89.866   19.955 10.72174 34.03629 
1 1 1  -11  -23    7 o   94.234   19.712  119.120   44.896   0.0000   0.0000  119.120   44.896  ?   ?    94.234   19.712 0.000000 19.71223 
1 1 1  -11  -23    8 o  125.631   27.575  219.721   84.135  219.721   84.135   0.0000   0.0000  125.631   27.575  ?   ?  0.000000 27.57473 
1 1 1  -11  -23    9 o  111.829   16.514  163.950   44.728  110.637   82.451  186.182   53.243   90.843   30.647  118.613   18.586 -27.76979 35.84251 
1 1 1  -11  -23   10 o  111.708   16.258  163.608   44.022  199.999   85.049  150.290   51.450  118.744   28.945  105.666   20.235 13.07796 35.31670 
1 1 1  -11  -23   11 o  166.997   15.904  362.061   65.522  228.194  107.812  440.462   82.508  124.338   33.825  183.262   18.273 -58.92461 38.44466 
1 1 1  -11  -23   12 o   72.339   20.466   71.029   38.629   0.0000   0.0000   71.029   38.629  ?   ?    72.339   20.466 0.000000 20.46590 
1 1 1  -11  -23   13 o   56.059   19.164   38.928   32.244 -34.3126   82.546   52.115   35.027   57.284   26.112   62.870   19.904 -5.585899 32.83306 
1 1 1  -11  -23   14 o   65.144   19.436   57.453   34.016 -15.2173   85.083   71.279   37.111   60.737   27.204   71.987   19.953 -11.24945 33.73684 
1 1 1  -11  -23   15 o   68.985   19.545   65.769   35.206   29.436   88.677   72.567   38.358   69.020   29.370   72.214   20.381 -3.193542 35.74895 
1 1 1  -11  -23   16 f   85.645   32.404  105.861   95.023  105.861   95.023   0.0000   0.0000   85.645   32.404  ?   ?  0.000000 32.40434 
1 1 1  -11  -23   17 o  112.813   17.207  174.271   46.939  181.136  101.897  172.423   52.884  103.101   34.056  110.652   19.869 -7.550659 39.42820 
1 1 1  -11  -23   18 o   36.838   15.779   2.4310   25.902  -8.2324   91.205   3.3665   27.015   60.299   27.471   37.843   16.159 22.45659 31.87163 
1 1 1  -11  -23   19 o   82.232   19.820   99.541   40.222 -25.0322  103.038  121.936   43.688   59.780   27.921   91.301   19.737 -31.52094 34.19293 
1 1 1  -11  -23   20 o   72.442   20.538   79.672   38.860   0.0000   0.0000   79.672   38.860  ?   ?    72.442   20.538 0.000000 20.53816 
1 1 1  -11  -23   21 o   69.293   20.618   74.314   38.318   0.0000   0.0000   74.314   38.318  ?   ?    69.293   20.618 0.000000 20.61811 
1 1 1  -11  -23   22 o   88.602   20.943  123.448   45.606   0.0000   0.0000  123.448   45.606  ?   ?    88.602   20.943 0.000000 20.94338 
1 1 1  -11  -22    1 o  331.675   18.369  1412.14  151.545  1199.18  217.699  1612.37  211.088  299.147   29.527  351.008   24.231 -51.86111 38.19666 
1 1 1  -11  -22    2 o   81.992   16.846   88.771   33.338  145.410   61.693   65.410   39.621  103.621   24.268   70.593   20.957 33.02839 32.06465 
1 1 1  -11  -22    3 o  281.347   16.341  1012.78  114.315  973.546  166.660  1047.64  157.096  271.591   24.849  283.218   22.395 -11.62656 33.45142 
1 1 1  -11  -22    4 o  183.865   14.396  431.895   65.570  400.927  100.947  454.497   86.241  173.709   23.905  187.225   18.696 -13.51677 30.34731 
1 1 1  -11  -22    5 o  156.751   18.446  319.742   70.822   0.0000   0.0000  319.742   70.822  ?   ?   156.751   18.446 0.000000 18.44594 
1 1 1  -11  -22    6 o  197.881   16.092  503.302   78.827  247.617  118.766  704.621  105.386  131.261   35.415  233.464   18.221 -102.2028 39.82765 
1 1 1  -11  -22    7 o   66.995   18.868   59.522   32.911 -32.5838   65.417   90.733   38.081   51.483   23.382   82.331   18.919 -30.84821 30.07717 
1 1 1  -11  -22    8 o   98.751   16.321  127.904   38.843  234.791   75.949   90.044   45.201  131.806   23.957   81.640   21.772 50.16622 32.37241 
1 1 1  -11  -22    9 o  209.795   24.279  588.150  124.846  588.150  124.846   0.0000   0.0000  209.795   24.279  ?   ?  0.000000 24.27903 
1 1 1  -11  -22   10 f  233.368   16.865  703.538   97.619  443.999  146.087  912.929  131.216  175.760   34.516  264.236   20.035 -88.47568 39.90937 
1 1 1  -11  -22   11 o  269.184   16.992  936.893  113.631  838.927  170.757  1014.76  152.232  247.451   28.134  276.899   22.202 -29.44812 35.83935 
1 1 1  -11  -22   12 o   78.182   19.025   82.565   36.792   47.901   79.590   91.985   41.491   73.013   29.076   82.301   20.312 -9.288208 35.46811 
1 1 1  -11  -22   13 o  132.872   16.059  230.566   52.205  209.812  100.052  238.330   61.196  119.641   32.600  134.074   18.794 -14.43288 37.62991 
1 1 1  -11  -22   14 o   50.467   18.571   27.560   30.781   29.630   82.615   27.226   33.170   69.068   28.806   51.251   19.197 17.81676 34.61640 
1 1 1  -11  -22   15 o  119.586   17.618  190.594   51.035   51.608   99.046  240.832   59.548   77.212   31.812  134.403   18.211 -57.19135 36.65573 
1 1 1  -11  -22   16 o  142.158   16.280  267.324   56.750  232.752  108.341  280.397   66.621  121.787   34.211  144.249   18.953 -22.46210 39.11055 
1 1 1  -11  -22   17 o   53.198   24.979 -60.2197   84.321 -60.2197   84.321   0.0000   0.0000   53.198   24.979  ?   ?  0.000000 24.97857 
1 1 1  -11  -22   18 o   51.694   18.997   31.365   32.194 -170.9168   92.132   59.500   34.360   44.925   22.223   65.276   19.547 -20.35029 29.59689 
1 1 1  -11  -22   19 o   66.953   20.009   64.019   36.028 -49.6873   97.637   81.942   38.764   57.203   26.865   75.314   20.196 -18.11086 33.60999 
1 1 1  -11  -22   20 f   56.983   19.294   44.690   32.680   52.348  102.837   43.830   34.467   71.272   30.987   56.830   19.795 14.44277 36.77018 
1 1 1  -11  -22   21 o  112.618   20.338  186.971   55.092   0.0000   0.0000  186.971   55.092  ?   ?   112.618   20.338 0.000000 20.33819 
1 1 1  -11  -22   22 o   76.745   20.957   90.937   41.294   0.0000   0.0000   90.937   41.294  ?   ?    76.745   20.957 0.000000 20.95685 
1 1 1  -11  -22   23 o   44.271   17.843   19.498   30.356   0.0000   0.0000   19.498   30.356  ?   ?    44.271   17.843 0.000000 17.84344 
1 1 1  -11  -21    1 o  317.990   25.389  1324.41  199.926  1324.41  199.926   0.0000   0.0000  317.990   25.389  ?   ?  0.000000 25.38870 
1 1 1  -11  -21    2 o  263.941   16.041  888.642  105.226  771.336  152.648  994.854  145.251  241.841   25.669  277.217   21.141 -35.37636 33.25409 
1 1 1  -11  -21    3 o  126.064   14.262  203.833   44.108  196.627   70.264  208.519   56.663  121.019   24.097  126.424   18.495 -5.404793 30.37674 
1 1 1  -11  -21    4 o  162.152   14.040  335.618   56.291  333.785   87.407  336.917   73.583  159.012   22.653  161.158   18.627 -2.145538 29.32777 
1 1 1  -11  -21    5 f   96.303   15.911  121.055   36.927   91.752   63.612  135.950   45.351   83.785   26.855  101.489   18.579 -17.70411 32.65518 
1 1 1  -11  -21    6 o   94.966   19.545  120.100   44.806   0.0000   0.0000  120.100   44.806  ?   ?    94.966   19.545 0.000000 19.54515 
1 1 1  -11  -21    7 o  249.047   23.711  817.966  145.681  817.966  145.681   0.0000   0.0000  249.047   23.711  ?   ?  0.000000 23.71081 
1 1 1  -11  -21    8 o  205.071   15.284  538.751   77.709  425.846  117.424  626.729  103.654  177.197   27.422  219.769   19.076 -42.57225 33.40510 
1 1 1  -11  -21    9 o  233.292   15.049  696.372   87.202  750.318  132.879  655.566  115.569  238.708   22.559  223.824   20.919 14.88387 30.76571 
1 1 1  -11  -21   10 o  195.027   24.040  507.251  114.599  507.251  114.599   0.0000   0.0000  195.027   24.040  ?   ?  0.000000 24.03973 
1 1 1  -11  -21   11 o  173.100   15.142  385.392   64.795  346.250  105.272  409.265   82.212  158.825   27.541  177.025   18.889 -18.20012 33.39612 
1 1 1  -11  -21   12 o  171.068   15.313  377.142   64.723  329.322  105.845  405.703   81.798  154.016   28.572  176.087   18.898 -22.07098 34.25644 
1 1 1  -11  -21   13 o  141.052   15.181  257.471   52.632  312.586   96.152  233.892   62.890  150.703   26.518  132.844   19.542 17.85928 32.94063 
1 1 1  -11  -21   14 o  116.771   16.644  179.011   47.159  177.953   92.983  179.378   54.719  111.020   31.868  115.844   19.616 -4.823395 37.42149 
1 1 1  -11  -21   15 o  105.491   20.357  150.694   51.684   0.0000   0.0000  150.694   51.684  ?   ?   105.491   20.357 0.000000 20.35721 
1 1 1  -11  -21   16 o  208.507   17.063  569.257   88.068  368.535  141.248  696.915  112.644  154.456   37.088  228.981   19.897 -74.52562 42.08868 
1 1 1  -11  -21   17 o  172.120   16.078  388.912   68.304  339.878  120.641  412.046   82.865  149.641   33.157  175.416   19.232 -25.77542 38.33093 
1 1 1  -11  -21   18 o  131.669   17.105  232.015   54.915  198.714  106.875  243.961   64.011  111.428   34.694  133.624   19.781 -22.19638 39.93685 
1 1 1  -11  -21   19 o  133.104   17.451  239.830   56.607  108.938  111.128  285.693   65.780   87.456   34.505  144.675   18.641 -57.21886 39.21885 
1 1 1  -11  -21   20 o   78.288   19.878   87.726   38.931   22.021  101.072   99.172   42.186   68.307   30.176   83.025   20.476 -14.71851 36.46676 
1 1 1  -11  -21   21 o  125.441   17.280  217.922   52.693  223.116  116.751  216.593   59.050  108.267   36.469  123.192   19.871 -14.92567 41.53134 
1 1 1  -11  -21   22 o   87.939   20.872  115.551   45.149   0.0000   0.0000  115.551   45.149  ?   ?    87.939   20.872 0.000000 20.87243 
1 1 1  -11  -21   23 o  114.272   20.388  194.376   56.045   0.0000   0.0000  194.376   56.045  ?   ?   114.272   20.388 0.000000 20.38820 
1 1 1  -11  -21   24 o   52.456   19.439   37.006   33.830   0.0000   0.0000   37.006   33.830  ?   ?    52.456   19.439 0.000000 19.43871 
1 1 1  -11  -20    1 o  128.229   14.349  210.271   45.158  175.823   71.338  233.305   58.334  114.374   25.614  134.341   17.829 -19.96674 31.20817 
1 1 1  -11  -20    2 o  132.654   23.097  232.894   73.732  232.894   73.732   0.0000   0.0000  132.654   23.097  ?   ?  0.000000 23.09727 
1 1 1  -11  -20    3 o  181.820   14.067  420.537   63.371  399.391   95.018  437.478   85.049  174.749   22.281  184.178   18.754 -9.428146 29.12292 
1 1 1  -11  -20    4 o   40.582   16.327   9.9133   25.365   13.495   49.311   8.6246   29.578   54.417   22.436   42.643   17.455 11.77372 28.42637 
1 1 1  -11  -20    5 o  167.179   18.726  361.923   76.835   0.0000   0.0000  361.923   76.835  ?   ?   167.179   18.726 0.000000 18.72641 
1 1 1  -11  -20    6 f   96.209   25.934  125.611   63.723  125.611   63.723   0.0000   0.0000   96.209   25.934  ?   ?  0.000000 25.93440 
1 1 1  -11  -20    7 o  256.143   21.593  854.672  136.831   0.0000   0.0000  854.672  136.831  ?   ?   256.143   21.593 0.000000 21.59338 
1 1 1  -11  -20    8 o  137.601   14.821  243.295   50.125  184.127   80.335  281.016   64.143  115.577   28.106  147.125   17.822 -31.54838 33.27996 
1 1 1  -11  -20    9 o  201.319   15.009  518.451   74.913  452.369  114.104  568.514   99.315  183.842   25.545  209.315   19.215 -25.47264 31.96490 
1 1 1  -11  -20   10 o  168.535   15.308  364.758   63.722  246.031  100.290  445.139   82.520  132.551   30.873  185.365   18.056 -52.81326 35.76571 
1 1 1  -11  -20   11 o  409.554   21.630  2189.36  220.432  1616.77  313.878  2746.60  309.641  336.988   37.960  452.907   27.508 -115.9189 46.87914 
1 1 1  -11  -20   12 f  334.479   18.333  1445.64  152.546  1425.67  223.210  1463.14  208.960  325.222   27.750  331.420   25.443 -6.198029 37.64798 
1 1 1  -11  -20   13 o  222.219   16.229  635.950   89.436  501.042  137.386  735.168  117.821  190.286   29.898  237.152   20.084 -46.86546 36.01764 
1 1 1  -11  -20   14 o  166.824   15.177  358.677   62.533  377.460  106.408  348.768   77.288  166.166   26.537  162.909   19.378 3.256561 32.85905 
1 1 1  -11  -20   15 o  141.970   15.975  261.885   55.653  230.268  100.503  275.866   66.835  126.413   31.851  144.646   18.960 -18.23248 37.06708 
1 1 1  -11  -20   16 o   95.202   20.984  123.470   48.543   0.0000   0.0000  123.470   48.543  ?   ?    95.202   20.984 0.000000 20.98428 
1 1 1  -11  -20   17 o  204.162   16.116  542.073   81.497  497.705  134.703  567.690  102.354  186.986   29.852  206.736   20.079 -19.75018 35.97683 
1 1 1  -11  -20   18 o   63.809   19.824   54.311   34.916  127.398   92.640   42.210   37.696   94.267   32.474   58.818   20.689 35.44881 38.50409 
1 1 1  -11  -20   19 o   72.277   20.185   72.365   37.832   50.206   95.792   76.460   41.179   75.139   31.151   74.114   21.187 1.025421 37.67315 
1 1 1  -11  -20   20 o   81.079   20.701   92.949   42.059   9.9556   99.008  111.224   46.459   67.607   29.866   88.530   21.279 -20.92263 36.67123 
1 1 1  -11  -20   21 o  109.032   18.317  164.394   48.105   89.048  110.801  181.894   53.400   82.189   33.729  114.144   19.430 -31.95466 38.92565 
1 1 1  -11  -20   22 o   54.121   19.137   37.909   32.293   83.044  108.098   33.486   33.838   78.710   32.899   52.560   19.448 26.15005 38.21724 
1 1 1  -11  -20   23 o  106.310   20.584  165.510   52.670   0.0000   0.0000  165.510   52.670  ?   ?   106.310   20.584 0.000000 20.58369 
1 1 1  -11  -20   24 o   90.627   21.181  124.491   47.073   0.0000   0.0000  124.491   47.073  ?   ?    90.627   21.181 0.000000 21.18055 
1 1 1  -11  -20   25 o   53.445   19.677   38.591   34.563   0.0000   0.0000   38.591   34.563  ?   ?    53.445   19.677 0.000000 19.67740 
1 1 1  -11  -19    1 o  270.185   16.049  926.295  107.794  769.924  154.960  1072.91  150.046  243.044   25.932  289.296   20.911 -46.25241 33.31277 
1 1 1  -11  -19    2 o  371.905   19.105  1765.00  176.832  1669.30  252.481  1857.15  247.744  356.948   28.565  377.861   26.422 -20.91309 38.91073 
1 1 1  -11  -19    3 o  221.109   21.830  632.638  118.959  632.638  118.959   0.0000   0.0000  221.109   21.830  ?   ?  0.000000 21.82959 
1 1 1  -11  -19    4 o  150.661   14.734  289.807   54.725  177.784   83.810  373.068   72.255  114.233   29.253  170.497   17.206 -56.26417 33.93776 
1 1 1  -11  -19    5 o  187.579   13.379  446.626   62.259  596.031   95.656  336.816   82.007  215.539   17.935  160.732   20.928 54.80646 27.56114 
1 1 1  -11  -19    6 f   54.795   17.742   37.273   27.713  107.922   53.499   11.364   32.398   89.647   23.581   45.272   18.368 44.37505 29.89095 
1 1 1  -11  -19    7 o   46.400   17.185   21.636   26.434   85.198   54.545   2.1267   30.219   80.563   24.737   40.721   17.228 39.84150 30.14478 
1 1 1  -11  -19    8 o  107.626   19.638  153.091   50.834   0.0000   0.0000  153.091   50.834  ?   ?   107.626   19.638 0.000000 19.63767 
1 1 1  -11  -19    9 o  110.565   15.948  158.685   42.761   85.284   71.839  198.960   53.214   82.844   28.593  123.542   17.759 -40.69798 33.65963 
1 1 1  -11  -19   10 o  249.435   15.859  795.863   98.268  724.847  145.336  855.672  133.376  233.732   25.304  256.413   21.014 -22.68048 32.89251 
1 1 1  -11  -19   11 o  315.667   16.952  1277.97  133.143  1392.57  195.744  1179.29  181.632  325.134   24.284  298.905   24.551 26.22821 34.53185 
1 1 1  -11  -19   12 o  253.082   16.597  822.363  104.313  659.512  154.617  958.409  141.321  220.491   28.767  271.097   21.040 -50.60658 35.63996 
1 1 1  -11  -19   13 o  299.090   26.199  1194.46  193.704  1194.46  193.704   0.0000   0.0000  299.090   26.199  ?   ?  0.000000 26.19922 
1 1 1  -11  -19   14 o  100.780   17.829  134.210   43.227   73.463   81.728  157.804   50.934   80.736   30.155  108.990   19.427 -28.25417 35.87091 
1 1 1  -11  -19   15 o  121.019   17.043  191.587   50.079   76.115   90.434  242.658   60.143   83.027   31.564  136.072   18.152 -53.04489 36.41180 
1 1 1  -11  -19   16 o  164.653   16.203  351.158   65.760  239.352  111.510  410.772   81.425  128.211   34.199  177.193   18.683 -48.98183 38.96941 
1 1 1  -11  -19   17 o  364.727   27.963  1821.33  252.746   0.0000   0.0000  1821.33  252.746  ?   ?   364.727   27.963 0.000000 27.96309 
1 1 1  -11  -19   18 o  186.040   16.213  450.043   74.568  385.458  126.775  484.207   92.205  162.944   32.298  191.333   19.574 -28.38843 37.76596 
1 1 1  -11  -19   19 o   70.297   20.243   67.224   37.463   99.018   94.665   61.321   40.793   87.368   32.489   67.808   21.481 19.55974 38.94847 
1 1 1  -11  -19   20 o  168.762   16.598  375.834   69.044  315.521  126.045  401.689   82.526  141.451   35.686  172.833   19.460 -31.38200 40.64666 
1 1 1  -11  -19   21 o   68.456   30.000   14.553   98.067   14.553   98.067   0.0000   0.0000   68.456   30.000  ?   ?  0.000000 29.99976 
1 1 1  -11  -19   22 o  134.440   17.177  244.895   56.348  204.980  116.667  257.040   64.352  108.835   36.457  136.332   19.454 -27.49763 41.32278 
1 1 1  -11  -19   23 o  183.596   17.692  461.896   80.107  310.553  145.659  527.521   95.915  125.045   40.689  193.861   20.105 -68.81583 45.38527 
1 1 1  -11  -19   24 o  176.071   20.340  444.277   87.785   0.0000   0.0000  444.277   87.785  ?   ?   176.071   20.340 0.000000 20.33972 
1 1 1  -11  -19   25 f   79.989   21.321   97.166   43.361   0.0000   0.0000   97.166   43.361  ?   ?    79.989   21.321 0.000000 21.32055 
1 1 1  -11  -19   26 o  113.235   20.831  192.880   56.734   0.0000   0.0000  192.880   56.734  ?   ?   113.235   20.831 0.000000 20.83131 
1 1 1  -11  -19   27 o   25.134   12.179 -34.6078   23.656   0.0000   0.0000 -34.6078   23.656  ?   ?    25.134   12.179 0.000000 12.17925 
1 1 1  -11  -18    1 o  540.925   25.074  3748.98  338.701  3799.07  480.994  3699.71  477.023  536.210   36.132  528.961   36.333 7.249207 51.24104 
1 1 1  -11  -18    2 o  300.925   16.467  1147.75  123.276  1149.05  177.220  1146.53  171.593  298.641   23.966  298.601   23.194 0.3955078E-01 33.35136 
1 1 1  -11  -18    3 o   44.579   17.115   17.011   26.751  -1.5304   46.931   25.935   32.559   49.447   21.211   51.283   19.057 -1.835938 28.51470 
1 1 1  -11  -18    4 o  222.801   14.692  629.481   81.286  648.193  118.102  612.638  112.049  224.228   21.350  218.106   20.826 6.121475 29.82491 
1 1 1  -11  -18    5 o  205.965   14.523  538.597   74.220  476.946  107.829  594.104  102.314  191.327   23.032  215.067   19.255 -23.74069 30.01979 
1 1 1  -11  -18    6 f  194.195   14.348  479.296   69.086  431.277  102.704  518.980   93.367  181.570   23.180  200.882   18.832 -19.31183 29.86584 
1 1 1  -11  -18    7 o  301.314   16.718  1157.63  125.300  1146.84  181.244  1167.51  173.416  296.306   24.720  299.683   23.357 -3.376648 34.00965 
1 1 1  -11  -18    8 f  199.301   14.230  505.318   70.357  513.261  105.704  499.000   94.274  198.496   21.677  196.473   19.471 2.022812 29.13833 
1 1 1  -11  -18    9 o  144.354   18.540  270.656   65.287   0.0000   0.0000  270.656   65.287  ?   ?   144.354   18.540 0.000000 18.53983 
1 1 1  -11  -18   10 o  267.567   15.961  914.184  106.163  905.080  156.365  921.969  144.598  262.553   24.119  266.114   21.955 -3.561218 32.61514 
1 1 1  -11  -18   11 o  238.732   15.362  727.689   91.097  711.537  135.540  740.996  123.028  232.590   23.666  238.733   20.846 -6.142776 31.53734 
1 1 1  -11  -18   12 o  150.822   14.793  291.727   54.997  294.174   90.101  290.274   69.432  147.896   25.306  149.162   19.077 -1.266663 31.69122 
1 1 1  -11  -18   13 o   62.660   19.422   50.613   33.535   22.167   68.066   59.732   38.537   64.011   26.372   67.742   20.791 -3.730385 33.58210 
1 1 1  -11  -18   14 o  257.510   24.869  879.824  157.931  879.824  157.931   0.0000   0.0000  257.510   24.869  ?   ?  0.000000 24.86917 
1 1 1  -11  -18   15 o   58.363   19.425   42.102   33.128  100.313   72.740   26.868   37.211   87.300   28.771   53.195   20.242 34.10445 35.17794 
1 1 1  -11  -18   16 o  168.001   15.366  363.320   63.752  378.335  107.944  355.277   79.003  166.636   26.853  164.591   19.607 2.044601 33.24962 
1 1 1  -11  -18   17 o  393.812   19.982  2021.21  195.862  2172.61  287.548  1890.18  267.517  399.229   29.042  372.316   29.002 26.91211 41.04326 
1 1 1  -11  -18   18 o  166.841   19.601  366.824   80.107   0.0000   0.0000  366.824   80.107  ?   ?   166.841   19.601 0.000000 19.60075 
1 1 1  -11  -18   19 o  187.445   16.385  456.521   75.925  367.202  128.062  504.935   94.283  158.616   33.388  195.631   19.562 -37.01453 38.69617 
1 1 1  -11  -18   20 o   40.705   17.367   1.6374   31.158  -0.8658   91.848   1.9629   33.122   66.018   28.980   41.979   17.909 24.03888 34.06670 
1 1 1  -11  -18   21 o  185.986   16.369  454.289   75.250  422.954  132.396  469.243   91.460  167.854   32.762  186.901   19.902 -19.04688 38.33319 
1 1 1  -11  -18   22 o   80.510   32.472   74.435  100.602   74.435  100.602   0.0000   0.0000   80.510   32.472  ?   ?  0.000000 32.47156 
1 1 1  -11  -18   23 o   95.015   19.842  126.711   45.559  -4.8935  107.503  155.521   50.299   67.017   30.249  105.539   19.813 -38.52164 36.16033 
1 1 1  -11  -18   24 o  139.436   17.027  265.126   58.057  307.277  126.020  253.769   65.412  130.764   36.955  134.228   20.136 -3.463593 42.08450 
1 1 1  -11  -18   25 o   53.549   19.785   35.666   34.993   0.0000   0.0000   35.666   34.993  ?   ?    53.549   19.785 0.000000 19.78468 
1 1 1  -11  -18   26 o   50.671   19.246   30.637   33.603   0.0000   0.0000   30.637   33.603  ?   ?    50.671   19.246 0.000000 19.24624 
1 1 1  -11  -18   27 o  151.652   20.384  339.333   75.240   0.0000   0.0000  339.333   75.240  ?   ?   151.652   20.384 0.000000 20.38393 
1 1 1  -11  -18   28 o   62.208   20.842   58.675   38.130   0.0000   0.0000   58.675   38.130  ?   ?    62.208   20.842 0.000000 20.84211 
1 1 1  -11  -17    1 o  204.633   19.493  534.302   98.407   0.0000   0.0000  534.302   98.407  ?   ?   204.633   19.493 0.000000 19.49309 
1 1 1  -11  -17    2 o  429.444   20.764  2339.76  222.674  2327.71  316.750  2351.54  313.098  423.684   30.135  426.128   29.607 -2.444275 42.24527 
1 1 1  -11  -17    3 o  319.352   24.170  1310.49  191.326   0.0000   0.0000  1310.49  191.326  ?   ?   319.352   24.170 0.000000 24.17033 
1 1 1  -11  -17    4 o  215.595   21.202  597.269  112.673  597.269  112.673   0.0000   0.0000  215.595   21.202  ?   ?  0.000000 21.20237 
1 1 1  -11  -17    5 f  160.195   13.354  325.374   52.935  382.837   80.192  280.999   70.470  172.635   18.911  147.423   19.630 25.21230 27.25717 
1 1 1  -11  -17    6 o  258.154   22.599  860.552  144.218  860.552  144.218   0.0000   0.0000  258.154   22.599  ?   ?  0.000000 22.59889 
1 1 1  -11  -17    7 o  386.814   18.980  1906.92  183.336  2048.29  262.820  1772.92  255.872  396.184   26.721  367.646   28.083 28.53818 38.76423 
1 1 1  -11  -17    8 o  167.343   13.784  356.072   57.087  392.087   87.871  329.769   75.094  173.805   20.650  159.630   19.225 14.17500 28.21355 
1 1 1  -11  -17    9 o   49.906   17.749   27.568   27.818   37.645   53.118   23.759   32.654   63.309   24.162   50.253   19.000 13.05603 30.73728 
1 1 1  -11  -17   10 o  201.530   14.540  517.097   72.684  506.009  110.006  525.688   96.831  196.610   22.831  201.689   19.468 -5.078888 30.00387 
1 1 1  -11  -17   11 o  177.401   14.722  401.755   64.630  395.452  103.906  405.733   82.541  172.615   24.819  177.027   18.967 -4.412003 31.23640 
1 1 1  -11  -17   12 o   92.260   16.815  111.740   37.313  157.272   67.452   91.663   44.790  107.573   25.498   82.714   21.490 24.85858 33.34648 
1 1 1  -11  -17   13 o  293.215   16.616  1100.22  121.166  1132.96  177.952  1071.93  165.439  293.450   24.508  286.051   23.364 7.398132 33.86066 
1 1 1  -11  -17   14 o  163.769   14.916  343.640   60.332  314.689   96.316  362.335   77.397  152.707   26.201  166.951   18.897 -14.24400 32.30466 
1 1 1  -11  -17   15 o  198.413   24.533  523.242  118.966  523.242  118.966   0.0000   0.0000  198.413   24.533  ?   ?  0.000000 24.53338 
1 1 1  -11  -17   16 o  115.200   17.456  173.696   48.643   39.883   86.056  236.524   58.967   73.851   29.946  134.619   17.991 -60.76760 34.93460 
1 1 1  -11  -17   17 o  231.010   15.958  685.293   91.493  665.382  142.132  699.381  119.557  222.618   26.060  231.116   20.943 -8.497604 33.43263 
1 1 1  -11  -17   18 o   78.837   20.102   83.749   39.697  152.216   88.203   66.357   44.454  104.233   31.342   71.217   22.409 33.01534 38.52900 
1 1 1  -11  -17   19 o   72.233   21.752   69.486   42.461   0.0000   0.0000   69.486   42.461  ?   ?    72.233   21.752 0.000000 21.75211 
1 1 1  -11  -17   20 o  208.731   16.292  564.411   84.245  513.879  138.537  594.062  106.121  191.221   29.999  212.114   20.282 -20.89302 36.21209 
1 1 1  -11  -17   21 o  154.543   15.803  311.286   60.130  452.145  117.114  260.861   70.071  180.202   26.845  139.215   20.793 40.98669 33.95588 
1 1 1  -11  -17   22 o   50.825   19.494   25.204   34.687 -12.4865   96.214   30.834   37.188   64.979   29.029   53.980   20.306 10.99959 35.42602 
1 1 1  -11  -17   23 f   66.680   29.595   0.0018   98.339   0.0018   98.339   0.0000   0.0000   66.680   29.595  ?   ?  0.000000 29.59532 
1 1 1  -11  -17   24 o  204.385   17.015  558.794   86.053  517.367  151.752  578.430  104.475  178.729   35.253  204.769   20.717 -26.03989 40.88966 
1 1 1  -11  -17   25 o   99.986   19.630  141.218   47.263   96.052  116.064  150.196   51.748   83.429   34.412  102.414   20.940 -18.98508 40.28300 
1 1 1  -11  -17   26 o   58.668   20.135   47.003   35.599   3.4695  115.852   51.542   37.409   67.312   30.781   60.900   20.643 6.411926 37.06172 
1 1 1  -11  -17   27 o   96.489   21.185  138.584   49.647   0.0000   0.0000  138.584   49.647  ?   ?    96.489   21.185 0.000000 21.18484 
1 1 1  -11  -17   28 o   38.247   16.786  -0.7091   30.801   0.0000   0.0000  -0.7091   30.801  ?   ?    38.247   16.786 0.000000 16.78569 
1 1 1  -11  -16    1 o  544.072   25.047  3763.24  340.296  3791.47  482.840  3735.38  479.679  539.925   36.018  535.880   36.055 4.044861 50.96322 
1 1 1  -11  -16    2 o  421.899   29.342  2292.24  307.212   0.0000   0.0000  2292.24  307.212  ?   ?   421.899   29.342 0.000000 29.34195 
1 1 1  -11  -16    3 o  274.600   22.799  964.287  154.923  964.287  154.923   0.0000   0.0000  274.600   22.799  ?   ?  0.000000 22.79867 
1 1 1  -11  -16    4 o   88.758   16.004  102.266   34.168  120.534   54.955   90.755   43.624   95.438   23.269   82.995   21.025 12.44362 31.36040 
1 1 1  -11  -16    5 o   99.836   15.214  128.410   36.731  114.805   58.212  137.409   47.346   93.089   24.652  102.541   19.195 -9.452690 31.24376 
1 1 1  -11  -16    6 o  494.725   22.899  3127.91  282.894  3364.20  402.741  2897.77  397.458  506.693   31.994  468.547   34.206 38.14578 46.83626 
1 1 1  -11  -16    7 o  286.745   23.638  1061.47  167.755  1061.47  167.755   0.0000   0.0000  286.745   23.638  ?   ?  0.000000 23.63841 
1 1 1  -11  -16    8 o  211.354   13.907  565.946   72.987  658.116  108.423  489.566   98.700  226.522   19.353  194.776   20.605 31.74539 28.26861 
1 1 1  -11  -16    9 o   89.320   16.621  104.342   35.708   61.900   59.032  128.831   44.841   73.189   25.874   98.998   18.826 -25.80831 31.99872 
1 1 1  -11  -16   10 o  103.759   15.477  139.300   38.875  148.949   64.689  133.845   48.637  105.158   25.001  100.594   20.065 4.564102 32.05695 
1 1 1  -11  -16   11 o  151.794   13.939  293.778   52.245  348.952   83.629  258.463   66.908  163.580   20.955  140.852   19.549 22.72818 28.65779 
1 1 1  -11  -16   12 o  154.727   18.770  310.429   71.038   0.0000   0.0000  310.429   71.038  ?   ?   154.727   18.770 0.000000 18.76977 
1 1 1  -11  -16   13 o  310.694   16.777  1233.58  129.684  1340.77  189.776  1139.67  177.629  320.250   23.902  294.887   24.339 25.36295 34.11334 
1 1 1  -11  -16   14 o  169.573   14.449  367.290   60.601  410.076   96.943  339.846   77.641  176.580   22.496  161.523   19.654 15.05737 29.87223 
1 1 1  -11  -16   15 o  206.604   14.898  545.024   76.348  584.037  118.918  517.668   99.582  210.815   22.960  199.456   20.275 11.35925 30.63082 
1 1 1  -11  -16   16 o  346.828   27.992  1607.33  240.374  1607.33  240.374   0.0000   0.0000  346.828   27.992  ?   ?  0.000000 27.99235 
1 1 1  -11  -16   17 o  232.139   15.359  689.352   88.531  761.899  137.347  637.785  115.798  240.565   23.149  220.842   21.260 19.72391 31.43039 
1 1 1  -11  -16   18 o   67.838   20.552   60.308   37.822 -24.1128   78.576   85.765   43.149   58.602   26.203   79.839   21.263 -21.23716 33.74438 
1 1 1  -11  -16   19 o  111.853   17.785  164.561   48.014  126.864   91.999  178.673   56.288   97.029   32.374  115.873   20.187 -18.84445 38.15235 
1 1 1  -11  -16   20 o   49.995   19.785   19.286   36.638   0.0000   0.0000   19.286   36.638  ?   ?    49.995   19.785 0.000000 19.78492 
1 1 1  -11  -16   21 o   40.864   17.548  -0.3708   32.182 -103.1420   90.246   14.603   34.447   52.134   24.875   47.146   19.006 4.988449 31.30499 
1 1 1  -11  -16   22 o   63.564   20.682   52.310   37.632  145.547   97.245   35.888   40.812  100.760   33.269   57.506   21.343 43.25452 39.52616 
1 1 1  -11  -16   23 o  106.735   18.419  153.349   47.319  259.377  109.137  128.802   52.512  130.843   33.314   96.173   22.299 34.67003 40.08823 
1 1 1  -11  -16   24 o   83.260   33.126   82.953  103.222   82.953  103.222   0.0000   0.0000   83.260   33.126  ?   ?  0.000000 33.12648 
1 1 1  -11  -16   25 o   49.493   19.240   23.753   34.127 -224.3631  104.016   53.685   36.127   45.680   22.766   62.896   20.246 -17.21675 30.46631 
1 1 1  -11  -16   26 o   42.422   17.761   8.4651   31.582  142.984  110.248  -3.5604   32.963   93.184   34.980   39.471   17.343 53.71362 39.04362 
1 1 1  -11  -16   27 o   84.640   20.741  104.653   43.495   78.192  121.290  108.558   46.594   79.057   34.011   85.684   21.741 -6.626793 40.36628 
1 1 1  -11  -16   28 o   46.080   18.802   17.446   34.184   0.0000   0.0000   17.446   34.184  ?   ?    46.080   18.802 0.000000 18.80215 
1 1 1  -11  -16   29 o   52.967   19.873   35.540   35.572   0.0000   0.0000   35.540   35.572  ?   ?    52.967   19.873 0.000000 19.87255 
1 1 1  -11  -16   30 o   76.077   21.829   90.565   43.636   0.0000   0.0000   90.565   43.636  ?   ?    76.077   21.829 0.000000 21.82941 
1 1 1  -11  -15    1 o  251.424   15.076  796.479   94.218  796.736  135.753  796.240  130.869  250.211   21.948  250.302   21.135 -0.9101868E-01 30.47000 
1 1 1  -11  -15    2 o  415.585   20.282  2179.75  210.486  2028.97  298.647  2328.58  296.707  397.268   30.333  426.620   28.006 -29.35114 41.28502 
1 1 1  -11  -15    3 o  429.100   29.717  2367.08  316.471   0.0000   0.0000  2367.08  316.471  ?   ?   429.100   29.717 0.000000 29.71709 
1 1 1  -11  -15    4 o  344.377   17.574  1498.74  150.626  1590.82  215.337  1410.53  210.773  352.838   24.593  331.812   25.636 21.02582 35.52520 
1 1 1  -11  -15    5 o  230.915   14.703  673.320   84.342  631.859  122.255  710.975  116.508  222.012   22.356  236.226   19.937 -14.21356 29.95415 
1 1 1  -11  -15    6 o  122.722   14.301  191.996   43.004  185.166   66.109  197.005   56.621  118.651   23.143  123.405   18.982 -4.753654 29.93184 
1 1 1  -11  -15    7 o  427.639   20.569  2323.72  219.654  2409.40  313.019  2240.60  308.310  430.751   29.274  414.952   29.955 15.79959 41.88382 
1 1 1  -11  -15    8 o   79.815   24.567   81.985   53.765   81.985   53.765   0.0000   0.0000   79.815   24.567  ?   ?  0.000000 24.56740 
1 1 1  -11  -15    9 o  359.960   18.487  1650.20  165.618  1652.70  236.966  1647.82  231.567  356.419   26.821  356.207   26.217 0.2125549 37.50588 
1 1 1  -11  -15   10 o  212.864   14.269  574.682   75.411  620.394  112.204  537.023  101.842  219.376   20.728  204.125   20.246 15.25073 28.97484 
1 1 1  -11  -15   11 o  339.204   17.773  1467.88  150.022  1518.66  216.133  1420.67  208.404  341.227   25.550  330.014   25.486 11.21255 36.08789 
1 1 1  -11  -15   12 o  302.068   16.607  1162.85  124.786  1213.97  181.348  1116.89  171.973  305.365   23.974  292.964   23.710 12.40057 33.71864 
1 1 1  -11  -15   13 o  158.179   18.972  324.246   73.445   0.0000   0.0000  324.246   73.445  ?   ?   158.179   18.972 0.000000 18.97208 
1 1 1  -11  -15   14 o  157.027   13.947  314.488   54.119  436.631   87.671  239.290   68.790  183.612   19.415  134.849   21.121 48.76257 28.68913 
1 1 1  -11  -15   15 o  445.790   21.765  2568.79  242.287  2632.02  347.524  2508.99  337.967  442.016   31.695  431.641   31.574 10.37500 44.73766 
1 1 1  -11  -15   16 o  217.517   14.617  603.062   78.935  730.076  122.776  513.572  103.057  236.990   20.962  198.417   21.124 38.57249 29.75962 
1 1 1  -11  -15   17 o  106.579   29.366  156.577   80.658  156.577   80.658   0.0000   0.0000  106.579   29.366  ?   ?  0.000000 29.36602 
1 1 1  -11  -15   18 o  236.025   16.022  713.558   93.877  671.005  143.448  745.434  124.156  224.265   26.103  239.145   21.003 -14.88054 33.50321 
1 1 1  -11  -15   19 o  114.213   18.000  171.215   49.638   79.366   91.848  209.110   58.996   84.667   31.900  126.031   19.365 -41.36412 37.31763 
1 1 1  -11  -15   20 o  196.439   16.235  496.816   78.926  400.251  127.311  557.095  100.587  169.412   31.245  206.652   19.732 -37.23955 36.95346 
1 1 1  -11  -15   21 o   63.685   21.086   51.053   39.056 -57.2384   94.997   73.080   42.844   59.726   27.517   73.967   21.749 -14.24049 35.07459 
1 1 1  -11  -15   22 o  129.568   17.714  220.576   55.814  157.923  111.466  241.540   64.479  105.765   35.634  134.928   19.719 -29.16286 40.72627 
1 1 1  -11  -15   23 o   66.025   20.975   57.220   38.873   71.879  100.363   54.633   42.164   82.877   32.762   65.432   21.917 17.44451 39.41701 
1 1 1  -11  -15   24 o   89.428   20.069  109.698   43.717  171.141  106.226   97.169   47.967  106.671   34.749   83.559   22.491 23.11183 41.39284 
1 1 1  -11  -15   25 o  136.840   35.744  297.861  123.478  297.861  123.478   0.0000   0.0000  136.840   35.744  ?   ?  0.000000 35.74364 
1 1 1  -11  -15   26 o   58.319   20.468   43.095   36.887   38.013  109.537   43.745   39.176   74.647   32.217   59.106   21.059 15.54078 38.48914 
1 1 1  -11  -15   27 o   41.074   17.713   1.6385   33.060   0.0000   0.0000   1.6385   33.060  ?   ?    41.074   17.713 0.000000 17.71329 
1 1 1  -11  -15   28 o  100.554   38.076  192.613  131.268  192.613  131.268   0.0000   0.0000  100.554   38.076  ?   ?  0.000000 38.07622 
1 1 1  -11  -15   29 o   84.057   21.770  106.084   46.062   0.0000   0.0000  106.084   46.062  ?   ?    84.057   21.770 0.000000 21.77043 
1 1 1  -11  -15   30 o   57.834   20.568   46.320   37.357   0.0000   0.0000   46.320   37.357  ?   ?    57.834   20.568 0.000000 20.56833 
1 1 1  -11  -15   31 o   80.877   21.934  102.073   45.419   0.0000   0.0000  102.073   45.419  ?   ?    80.877   21.934 0.000000 21.93434 
1 1 1  -11  -14    1 o  345.132   25.243  1514.74  216.047   0.0000   0.0000  1514.74  216.047  ?   ?   345.132   25.243 0.000000 25.24270 
1 1 1  -11  -14    2 o  269.430   22.255  922.451  148.394  922.451  148.394   0.0000   0.0000  269.430   22.255  ?   ?  0.000000 22.25479 
1 1 1  -11  -14    3 o  261.434   15.232  861.024   99.013  867.323  141.906  855.048  138.218  261.154   21.964  259.379   21.534 1.775024 30.75889 
1 1 1  -11  -14    4 o  485.451   32.780  3037.74  395.049   0.0000   0.0000  3037.74  395.049  ?   ?   485.451   32.780 0.000000 32.77980 
1 1 1  -11  -14    5 o  210.324   14.180  557.993   74.040  535.459  107.414  578.391  102.197  204.690   21.327  213.228   19.405 -8.537277 28.83444 
1 1 1  -11  -14    6 o  347.876   17.750  1529.94  153.686  1604.88  219.768  1458.22  215.001  354.197   25.007  337.310   25.719 16.88687 35.87214 
1 1 1  -11  -14    7 o  549.984   25.247  3861.30  346.749  4006.14  492.274  3718.67  488.503  553.103   35.834  531.997   37.001 21.10626 51.50885 
1 1 1  -11  -14    8 o  151.459   13.727  290.853   51.354  301.017   77.420  282.867   68.625  152.634   20.858  148.321   18.962 4.313858 28.18882 
1 1 1  -11  -14    9 o  269.197   22.913  931.803  152.562  931.803  152.562   0.0000   0.0000  269.197   22.913  ?   ?  0.000000 22.91280 
1 1 1  -11  -14   10 o  131.048   14.061  218.898   45.295  242.797   70.574  202.158   59.064  136.398   21.426  124.657   19.623 11.74171 29.05384 
1 1 1  -11  -14   11 o  143.383   13.994  261.776   49.468  289.429   76.909  242.262   64.606  149.067   21.263  136.620   19.489 12.44603 28.84369 
1 1 1  -11  -14   12 o  141.858   14.242  256.691   49.770  266.485   78.079  249.988   64.594  142.354   22.729  138.801   19.145 3.553040 29.71758 
1 1 1  -11  -14   13 f  217.454   14.515  600.730   78.367  635.824  117.022  572.193  105.524  221.568   21.417  210.471   20.331 11.09698 29.53008 
1 1 1  -11  -14   14 o  263.851   22.028  902.619  143.811   0.0000   0.0000  902.619  143.811  ?   ?   263.851   22.028 0.000000 22.02781 
1 1 1  -11  -14   15 o  305.648   16.931  1193.01  128.724  1226.88  187.521  1162.82  177.019  306.173   24.738  298.454   23.953 7.718689 34.43415 
1 1 1  -11  -14   16 o  272.004   16.197  944.451  109.521  951.455  161.550  938.494  148.983  269.413   24.273  268.486   22.426 0.9266357 33.04746 
1 1 1  -11  -14   17 o  313.702   17.171  1259.42  134.001  1337.96  196.733  1191.44  183.021  319.180   24.879  301.303   24.538 17.87650 34.94382 
1 1 1  -11  -14   18 o  191.327   24.751  485.513  115.481  485.513  115.481   0.0000   0.0000  191.327   24.751  ?   ?  0.000000 24.75063 
1 1 1  -11  -14   19 o  324.438   17.706  1351.49  142.906  1429.31  210.990  1285.53  194.247  328.614   25.922  312.088   25.138 16.52548 36.10878 
1 1 1  -11  -14   20 o  247.798   16.260  787.205  100.058  784.812  153.296  788.982  132.072  242.812   25.671  245.585   21.761 -2.772690 33.65338 
1 1 1  -11  -14   21 o   88.109   20.498  104.430   44.252  -5.8606   88.728  140.948   51.055   65.573   28.641  102.600   20.642 -37.02783 35.30425 
1 1 1  -11  -14   22 o  101.060   19.398  136.252   47.174   92.897   97.499  149.503   53.903   88.617   32.968  105.410   21.212 -16.79266 39.20302 
1 1 1  -11  -14   23 o   80.690   21.291   88.405   43.525   36.552  103.811   99.464   47.942   77.310   32.270   85.377   22.258 -8.067345 39.20200 
1 1 1  -11  -14   24 o  247.192   16.859  793.765  103.449  801.531  165.832  788.817  132.360  240.392   28.158  243.133   22.040 -2.741531 35.75801 
1 1 1  -11  -14   25 o  180.017   16.294  423.785   72.453  539.376  136.793  378.714   85.418  194.522   29.051  167.730   20.843 26.79294 35.75448 
1 1 1  -11  -14   26 o   71.452   31.064   18.922  103.337   18.922  103.337   0.0000   0.0000   71.452   31.064  ?   ?  0.000000 31.06416 
1 1 1  -11  -14   27 o   36.618   16.511 -12.8565   31.936 -74.4821  109.600  -7.1384   33.385   59.733   28.180   39.028   17.287 20.70424 33.05988 
1 1 1  -11  -14   28 o  167.402   17.196  379.153   70.864  446.263  145.537  358.297   81.131  161.429   36.907  159.940   20.806 1.488312 42.36727 
1 1 1  -11  -14   29 o   50.043   19.405   26.470   34.644  127.246  119.943   17.297   36.186   88.107   35.484   47.323   19.331 40.78417 40.40792 
1 1 1  -11  -14   30 o   46.743   19.006   18.333   34.775   0.0000   0.0000   18.333   34.775  ?   ?    46.743   19.006 0.000000 19.00603 
1 1 1  -11  -14   31 o  120.372   21.126  214.344   61.186   0.0000   0.0000  214.344   61.186  ?   ?   120.372   21.126 0.000000 21.12571 
1 1 1  -11  -14   32 o   50.182   19.600   29.210   35.544   0.0000   0.0000   29.210   35.544  ?   ?    50.182   19.600 0.000000 19.60014 
1 1 1  -11  -13    1 o  252.627   21.638  809.347  135.186  809.347  135.186   0.0000   0.0000  252.627   21.638  ?   ?  0.000000 21.63780 
1 1 1  -11  -13    2 o  586.580   26.618  4354.60  389.907  4240.98  551.811  4467.89  551.015  573.386   38.766  589.119   37.652 -15.73279 54.04128 
1 1 1  -11  -13    3 o  589.295   26.757  4399.95  393.750  4296.93  557.269  4502.66  556.425  576.506   38.937  590.716   37.921 -14.20972 54.35153 
1 1 1  -11  -13    4 o  403.368   19.601  2048.99  197.438  2083.04  280.729  2015.67  277.735  404.004   27.999  397.332   28.174 6.672089 39.72047 
1 1 1  -11  -13    5 f  317.131   23.881  1280.11  187.735   0.0000   0.0000  1280.11  187.735  ?   ?   317.131   23.881 0.000000 23.88112 
1 1 1  -11  -13    6 o  218.663   14.243  602.747   77.348  610.415  111.899  595.730  107.035  218.907   20.716  216.374   20.037 2.532761 28.82078 
1 1 1  -11  -13    7 o  430.193   20.712  2340.18  222.507  2343.83  316.299  2336.59  313.071  426.681   29.874  426.133   29.604 0.5477905 42.05773 
1 1 1  -11  -13    8 o  269.735   15.529  918.654  104.156  926.862  149.843  910.979  144.880  269.320   22.486  267.142   21.911 2.177856 31.39560 
1 1 1  -11  -13    9 o  443.772   21.201  2499.93  234.941  2569.58  334.362  2432.02  330.190  445.222   30.253  432.830   30.749 12.39212 43.13658 
1 1 1  -11  -13   10 o  269.369   22.884  931.974  152.478  931.974  152.478   0.0000   0.0000  269.369   22.884  ?   ?  0.000000 22.88439 
1 1 1  -11  -13   11 o  303.978   16.580  1171.87  125.379  1206.91  180.598  1139.27  174.199  306.024   23.820  297.340   23.656 8.684601 33.57111 
1 1 1  -11  -13   12 o  216.908   14.636  596.565   78.815  586.279  116.158  605.340  107.293  212.939   22.170  217.082   20.018 -4.143890 29.86971 
1 1 1  -11  -13   13 o  337.281   17.647  1449.10  148.113  1524.48  213.437  1379.09  205.703  342.540   25.128  325.520   25.509 17.01965 35.80678 
1 1 1  -11  -13   14 o  320.193   16.961  1305.89  135.136  1423.57  195.975  1199.21  186.592  331.218   23.854  303.378   24.848 27.84021 34.44417 
1 1 1  -11  -13   15 o  186.629   19.494  449.935   89.508   0.0000   0.0000  449.935   89.508  ?   ?   186.629   19.494 0.000000 19.49351 
1 1 1  -11  -13   16 o  371.964   19.248  1775.03  178.172  1771.54  256.441  1778.30  247.731  366.014   28.276  367.482   27.189 -1.468048 39.22709 
1 1 1  -11  -13   17 o  108.013   16.551  151.691   43.219  185.805   75.072  134.779   52.857  117.033   26.325  100.431   21.709 16.60236 34.12165 
1 1 1  -11  -13   18 o  124.747   16.232  201.158   49.366  160.923   82.997  223.186   61.410  108.261   29.772  130.606   19.420 -22.34571 35.54585 
1 1 1  -11  -13   19 o  205.005   24.258  554.648  121.777  554.648  121.777   0.0000   0.0000  205.005   24.258  ?   ?  0.000000 24.25786 
1 1 1  -11  -13   20 o  292.462   16.798  1095.22  122.163  1182.50  183.101  1025.21  164.003  299.714   24.684  279.503   23.721 20.21051 34.23425 
1 1 1  -11  -13   21 o  185.587   15.712  441.861   72.133  433.311  118.166  446.940   91.071  179.141   27.276  185.147   20.016 -6.005707 33.83213 
1 1 1  -11  -13   22 o   70.806   21.242   66.038   40.549   32.660   86.965   75.311   45.837   72.550   29.840   75.378   22.578 -2.828728 37.41930 
1 1 1  -11  -13   23 o  132.525   17.318  229.106   55.941  224.020  106.264  231.056   65.796  125.073   33.395  131.955   20.644 -6.882607 39.26097 
1 1 1  -11  -13   24 f  295.806   24.181  1168.09  177.062   0.0000   0.0000  1168.09  177.062  ?   ?   295.806   24.181 0.000000 24.18147 
1 1 1  -11  -13   25 o  162.878   16.866  346.319   67.605  328.742  125.479  353.508   80.248  149.179   34.388  163.120   20.127 -13.94110 39.84513 
1 1 1  -11  -13   26 o  241.526   22.250  787.239  132.690   0.0000   0.0000  787.239  132.690  ?   ?   241.526   22.250 0.000000 22.25025 
1 1 1  -11  -13   27 o  175.910   33.566  471.284  142.067  471.284  142.067   0.0000   0.0000  175.910   33.566  ?   ?  0.000000 33.56553 
1 1 1  -11  -13   28 o  106.675   19.221  156.813   49.318  337.904  122.243  121.607   53.899  145.313   34.248   91.793   23.433 53.52013 41.49759 
1 1 1  -11  -13   29 o  112.247   19.544  175.994   52.793  117.980  124.765  188.646   58.266   89.047   36.075  115.399   20.992 -26.35254 41.73814 
1 1 1  -11  -13   30 o   74.758   21.122   81.522   41.175  163.470  126.053   71.733   43.565   95.413   37.009   70.263   22.192 25.15001 43.15324 
1 1 1  -11  -13   31 o  133.114   20.998  256.877   67.484   0.0000   0.0000  256.877   67.484  ?   ?   133.114   20.998 0.000000 20.99762 
1 1 1  -11  -13   32 o   51.585   20.097   30.202   37.294   0.0000   0.0000   30.202   37.294  ?   ?    51.585   20.097 0.000000 20.09663 
1 1 1  -11  -13   33 o   50.535   19.775   29.519   36.234   0.0000   0.0000   29.519   36.234  ?   ?    50.535   19.775 0.000000 19.77511 
1 1 1  -11  -12    1 o  1073.50   37.989 14726.61  1018.38 14437.22  1764.18 14871.22  1247.15  1034.59   68.675  1072.60   46.562 -38.00769 82.97125 
1 1 1  -11  -12    2 o  171.034   13.454  368.618   56.999  347.160   81.491  389.171   79.753  164.968   20.204  175.076   18.523 -10.10774 27.41005 
1 1 1  -11  -12    3 o  684.112   30.527  5941.36  521.511  5848.91  737.856  6033.65  737.201  671.411   44.256  682.413   43.487 -11.00183 62.04598 
1 1 1  -11  -12    4 o  679.959   30.184  5874.10  512.518  6167.50  726.119  5582.80  723.506  689.836   42.356  654.960   44.500 34.87537 61.43538 
1 1 1  -11  -12    5 o  391.675   19.233  1930.31  188.120  1927.50  267.380  1933.08  264.723  388.847   27.717  389.504   27.391 -0.6575928 38.96790 
1 1 1  -11  -12    6 o  494.836   33.231  3147.79  408.252   0.0000   0.0000  3147.79  408.252  ?   ?   494.836   33.231 0.000000 33.23105 
1 1 1  -11  -12    7 o  464.419   21.939  2725.89  254.430  2732.21  361.198  2719.67  358.454  460.999   31.566  460.009   31.392 0.9902039 44.51801 
1 1 1  -11  -12    8 o  429.475   20.687  2330.84  221.859  2342.98  315.491  2318.96  312.050  426.912   29.780  424.781   29.603 2.131073 41.99026 
1 1 1  -11  -12    9 o  427.399   20.678  2311.63  220.696  2298.62  313.741  2324.37  310.506  422.149   29.956  424.741   29.457 -2.592194 42.01282 
1 1 1  -11  -12   10 o  317.932   16.907  1278.38  133.745  1328.80  191.580  1230.45  186.798  322.115   23.989  309.783   24.343 12.33203 34.17698 
1 1 1  -11  -12   11 o  316.443   24.764  1288.26  194.132  1288.26  194.132   0.0000   0.0000  316.443   24.764  ?   ?  0.000000 24.76442 
1 1 1  -11  -12   12 o  267.817   15.564  908.309  103.643  937.746  149.785  881.268  143.561  270.142   22.406  261.911   22.158 8.231384 31.51171 
1 1 1  -11  -12   13 o  399.512   19.907  2032.55  198.599  2013.32  283.514  2051.08  278.280  392.328   29.147  396.525   28.289 -4.197205 40.61779 
1 1 1  -11  -12   14 o  356.007   18.149  1615.10  160.809  1734.64  231.423  1503.50  223.614  365.441   25.520  339.549   26.584 25.89166 36.85080 
1 1 1  -11  -12   15 o  210.952   14.851  565.555   77.735  538.544  115.921  587.628  104.789  203.260   23.257  213.600   19.874 -10.33983 30.59143 
1 1 1  -11  -12   16 o  336.477   25.458  1478.29  212.326   0.0000   0.0000  1478.29  212.326  ?   ?   336.477   25.458 0.000000 25.45793 
1 1 1  -11  -12   17 o  180.496   14.223  414.643   63.588  503.555   99.593  353.452   82.621  197.128   20.533  164.819   20.518 32.30858 29.02747 
1 1 1  -11  -12   18 o  337.716   18.266  1460.69  153.475  1433.66  222.541  1485.21  211.941  329.557   27.287  336.669   25.396 -7.111542 37.27657 
1 1 1  -11  -12   19 o  287.522   16.471  1055.43  117.768  1131.91  174.555  991.528  159.553  294.260   23.963  275.584   23.406 18.67599 33.49719 
1 1 1  -11  -12   20 o  173.937   25.575  403.109  107.769  403.109  107.769   0.0000   0.0000  173.937   25.575  ?   ?  0.000000 25.57498 
1 1 1  -11  -12   21 o  345.378   18.141  1531.27  155.911  1683.00  229.750  1401.76  212.268  357.141   25.938  325.523   26.338 31.61838 36.96622 
1 1 1  -11  -12   22 f   96.068   19.401  122.729   44.940  129.705   87.462  120.226   52.383   98.203   31.491   94.382   22.537 3.821350 38.72406 
1 1 1  -11  -12   23 o  108.347   18.638  154.886   48.609  182.239   96.331  145.542   56.303  113.916   32.350  103.894   22.364 10.02189 39.32787 
1 1 1  -11  -12   24 o  137.700   17.345  247.011   58.319  252.584  110.233  244.844   68.725  132.939   33.281  135.844   20.932 -2.904617 39.31660 
1 1 1  -11  -12   25 o   47.139   19.733   7.2971   38.977   0.0000   0.0000   7.2971   38.977  ?   ?    47.139   19.733 0.000000 19.73340 
1 1 1  -11  -12   26 o   99.584   20.853  134.833   50.194  176.240  111.984  124.422   56.151  109.723   35.676   94.750   23.771 14.97360 42.87000 
1 1 1  -11  -12   27 o  218.274   16.450  621.939   89.003  798.188  157.048  538.549  108.026  239.389   26.727  199.629   22.037 39.75951 34.64066 
1 1 1  -11  -12   28 o  150.207   17.281  299.887   63.637  342.656  127.410  285.671   73.456  148.048   35.012  144.572   20.958 3.476166 40.80562 
1 1 1  -11  -12   29 o   56.673   20.980   37.432   39.385   47.560  116.143   36.116   41.866   77.649   33.340   56.898   21.513 20.75182 39.67881 
1 1 1  -11  -12   30 o   81.262   21.942   95.682   45.569 -69.7551  121.750  122.632   49.140   62.474   29.543   92.200   21.703 -29.72601 36.65804 
1 1 1  -11  -12   31 o  107.281   19.762  163.452   50.991  240.741  136.183  150.849   54.992  110.993   39.293  101.309   22.338 9.683929 45.19867 
1 1 1  -11  -12   32 o   60.543   21.187   50.523   39.509   0.0000   0.0000   50.523   39.509  ?   ?    60.543   21.187 0.000000 21.18702 
1 1 1  -11  -12   33 o   58.702   21.189   47.141   39.792   0.0000   0.0000   47.141   39.792  ?   ?    58.702   21.189 0.000000 21.18876 
1 1 1  -11  -12   34 o   67.307   22.324   69.421   43.767   0.0000   0.0000   69.421   43.767  ?   ?    67.307   22.324 0.000000 22.32366 
1 1 1  -11  -11    1 o  717.751   31.719  6529.20  568.512  6001.91  803.832  7056.92  804.164  680.378   47.611  740.103   43.705 -59.72461 64.62953 
1 1 1  -11  -11    2 o  581.399   21.317  4250.24  309.493  4436.36  537.520  4157.93  378.536  588.887   36.735  573.980   26.409 14.90704 45.24312 
1 1 1  -11  -11    3 o  658.593   23.754  5465.11  390.668  5237.54  677.178  5578.63  478.285  636.984   42.821  663.974   28.846 -26.99042 51.63045 
1 1 1  -11  -11    4 o  780.796   34.468  7766.29  672.056  7899.06  951.302  7634.00  949.562  778.103   49.212  764.347   50.025 13.75647 70.17352 
1 1 1  -11  -11    5 o  402.435   19.607  2036.34  197.043  2012.65  279.506  2059.75  277.823  397.621   28.335  402.406   27.818 -4.785217 39.70786 
1 1 1  -11  -11    6 o  343.354   17.705  1485.02  151.285  1474.07  215.158  1495.73  212.762  340.488   25.490  343.109   25.004 -2.621643 35.70621 
1 1 1  -11  -11    7 o  569.058   37.522  4184.22  530.213   0.0000   0.0000  4184.22  530.213  ?   ?   569.058   37.522 0.000000 37.52211 
1 1 1  -11  -11    8 o  733.170   32.684  6885.62  598.398  7065.18  847.638  6707.23  844.892  731.929   46.618  712.123   47.788 19.80548 66.76067 
1 1 1  -11  -11    9 o  325.306   17.025  1335.25  137.822  1409.91  197.180  1263.92  192.717  332.652   23.896  314.642   24.727 18.00986 34.38649 
1 1 1  -11  -11   10 o  220.266   14.232  612.010   77.861  670.882  113.430  559.555  107.070  229.569   19.986  209.339   20.755 20.22969 28.81340 
1 1 1  -11  -11   11 o  484.746   22.837  2986.53  276.442  3009.69  392.670  2963.77  389.249  481.107   32.881  477.425   32.849 3.682281 46.47816 
1 1 1  -11  -11   12 o  329.770   25.380  1399.46  207.395  1399.46  207.395   0.0000   0.0000  329.770   25.380  ?   ?  0.000000 25.37960 
1 1 1  -11  -11   13 f  273.549   15.723  947.485  106.955  986.296  154.504  911.773  148.206  277.127   22.521  266.396   22.489 10.73050 31.82662 
1 1 1  -11  -11   14 o  168.081   14.263  358.747   59.300  322.937   88.731  387.649   79.716  157.176   23.314  173.775   18.662 -16.59865 29.86314 
1 1 1  -11  -11   15 o  385.710   19.455  1899.95  186.784  1936.20  267.049  1865.24  261.347  384.864   27.978  377.758   27.902 7.105835 39.51315 
1 1 1  -11  -11   16 o  225.503   14.953  645.870   83.724  649.076  123.996  643.184  113.506  223.712   22.501  223.359   20.582 0.3530884 30.49411 
1 1 1  -11  -11   17 o  250.325   21.551  810.086  133.402   0.0000   0.0000  810.086  133.402  ?   ?   250.325   21.551 0.000000 21.55080 
1 1 1  -11  -11   18 o  197.525   14.463  496.252   70.845  577.423  108.980  436.842   93.234  211.134   20.946  183.460   20.714 27.67387 29.45846 
1 1 1  -11  -11   19 o  250.591   14.901  798.470   92.829  1012.76  141.236  635.494  123.169  280.256   20.319  220.779   22.662 59.47687 30.43720 
1 1 1  -11  -11   20 o  261.228   16.143  870.659  104.788  879.871  156.439  863.161  141.127  259.091   24.469  257.698   22.146 1.393341 33.00233 
1 1 1  -11  -11   21 o  370.883   29.197  1832.71  268.226  1832.71  268.226   0.0000   0.0000  370.883   29.197  ?   ?  0.000000 29.19707 
1 1 1  -11  -11   22 o  121.058   17.367  190.691   50.997  191.276   90.431  190.417   61.754  117.509   30.538  119.785   21.431 -2.276886 37.30785 
1 1 1  -11  -11   23 o  175.948   15.916  397.418   69.174  390.527  115.648  401.258   86.317  169.624   28.300  175.420   20.065 -5.796082 34.69127 
1 1 1  -11  -11   24 o  124.438   17.617  202.077   53.216  240.818  101.877  187.540   62.407  131.007   31.523  118.461   21.903 12.54573 38.38566 
1 1 1  -11  -11   25 o  129.973   21.030  224.563   65.924   0.0000   0.0000  224.563   65.924  ?   ?   129.973   21.030 0.000000 21.02976 
1 1 1  -11  -11   27 o  308.375   18.517  1242.52  141.932  1250.84  218.811  1236.47  186.487  299.353   29.661  302.276   24.928 -2.922852 38.74510 
1 1 1  -11  -11   28 o  247.538   16.472  799.311  101.238  1011.70  170.973  684.639  125.630  270.789   25.587  224.751   22.695 46.03822 34.20191 
1 1 1  -11  -11   29 o   84.279   21.741   99.660   46.059   82.221  115.889  102.931   50.193   85.331   34.696   85.300   23.027 0.3165436E-01 41.64197 
1 1 1  -11  -11   30 o  164.340   17.892  363.648   72.242  369.371  141.702  361.639   83.975  147.809   38.137  161.496   21.346 -13.68674 43.70409 
1 1 1  -11  -11   31 o   97.096   20.583  134.065   48.358  157.943  131.572  130.336   51.998   96.877   37.746   94.750   22.340 2.126167 43.86126 
1 1 1  -11  -11   32 o   67.197   21.813   64.549   41.871  170.138  134.754   53.264   44.052   96.625   38.037   62.779   22.335 33.84603 44.10944 
1 1 1  -11  -11   33 o   93.009   22.571  129.852   51.891   0.0000   0.0000  129.852   51.891  ?   ?    93.009   22.571 0.000000 22.57075 
1 1 1  -11  -11   34 o   78.879   22.901   95.800   47.772   0.0000   0.0000   95.800   47.772  ?   ?    78.879   22.901 0.000000 22.90107 
1 1 1  -11  -11   35 o   88.165   22.966  122.357   51.067   0.0000   0.0000  122.357   51.067  ?   ?    88.165   22.966 0.000000 22.96576 
1 1 1  -11  -10    1 o  1224.40   53.792 19480.47  1644.73 18889.76  2325.67 20071.52  2326.32  1176.64   79.620  1216.33   76.986 -39.69861 110.7525 
1 1 1  -11  -10    2 o  821.795   29.056  8535.07  596.283  9106.50  1034.54  8250.80  729.679  837.917   49.663  805.287   36.285 32.62994 61.50673 
1 1 1  -11  -10    3 o  911.079   32.283 10525.12  734.478 10961.82  1273.79 10307.61  898.971  914.331   56.059  897.898   40.093 16.43219 68.92064 
1 1 1  -11  -10    4 o  551.670   20.338  3824.38  280.174  3557.59  485.678  3957.44  343.000  526.945   37.147  560.377   24.511 -33.43134 44.50485 
1 1 1  -11  -10    5 o  579.825   21.396  4229.23  309.793  4132.58  537.542  4277.30  379.078  567.385   38.161  582.059   26.080 -14.67395 46.22131 
1 1 1  -11  -10    6 o  461.471   21.686  2680.85  249.910  2729.54  354.378  2632.68  352.483  462.741   30.844  454.294   31.261 8.446869 43.91592 
1 1 1  -11  -10    7 o  217.844   14.195  597.304   76.801  621.035  111.118  575.600  106.269  221.239   20.341  212.943   20.227 8.296066 28.68595 
1 1 1  -11  -10    8 o  485.943   32.693  3027.53  394.416   0.0000   0.0000  3027.53  394.416  ?   ?   485.943   32.693 0.000000 32.69275 
1 1 1  -11  -10    9 o  352.593   18.069  1568.18  158.559  1551.29  225.533  1584.69  222.961  348.777   26.084  352.699   25.486 -3.922119 36.46789 
1 1 1  -11  -10   10 o  512.455   23.659  3327.20  302.769  3469.59  429.888  3187.06  426.491  518.623   33.371  496.366   34.625 22.25708 48.08824 
1 1 1  -11  -10   11 o  209.165   14.242  552.045   73.947  559.351  107.367  545.452  101.993  209.321   20.816  206.857   19.994 2.463837 28.86312 
1 1 1  -11  -10   12 o  337.088   17.437  1436.96  146.274  1536.43  209.370  1342.11  204.444  346.550   24.348  323.394   25.523 23.15646 35.27402 
1 1 1  -11  -10   13 o  354.449   26.523  1619.07  233.057  1619.07  233.057   0.0000   0.0000  354.449   26.523  ?   ?  0.000000 26.52268 
1 1 1  -11  -10   14 f  167.662   14.147  356.477   58.679  309.812   86.985  395.444   79.488  154.107   23.334  175.768   18.382 -21.66151 29.70420 
1 1 1  -11  -10   15 o   64.420   18.787   53.727   32.086   78.210   53.751   40.174   39.992   78.297   24.641   60.025   21.289 18.27239 32.56386 
1 1 1  -11  -10   16 o  232.505   15.083  685.882   87.099  673.235  127.628  696.907  119.161  228.068   22.712  232.757   20.718 -4.688858 30.74155 
1 1 1  -11  -10   17 o  296.155   16.616  1115.69  122.389  1138.78  177.598  1094.81  168.898  296.193   24.223  290.725   23.464 5.467712 33.72436 
1 1 1  -11  -10   18 o   75.567   22.060   74.899   44.221   0.0000   0.0000   74.899   44.221  ?   ?    75.567   22.060 0.000000 22.06033 
1 1 1  -11  -10   19 o  267.230   15.721  908.581  104.447  1005.06  154.347  827.078  141.863  278.520   22.381  252.343   22.758 26.17699 31.91875 
1 1 1  -11  -10   20 o  291.859   16.654  1086.38  120.875  1139.56  177.931  1040.81  164.719  295.497   24.329  282.716   23.546 12.78152 33.85691 
1 1 1  -11  -10   21 o  295.078   17.004  1112.12  124.764  1133.12  184.014  1094.24  169.735  293.928   25.317  289.680   23.671 4.247894 34.65936 
1 1 1  -11  -10   22 o  264.870   25.235  922.696  164.892  922.696  164.892   0.0000   0.0000  264.870   25.235  ?   ?  0.000000 25.23483 
1 1 1  -11  -10   23 o  158.428   15.834  322.241   61.804  400.181  105.252  281.226   76.353  173.494   25.017  146.160   21.567 27.33315 33.03025 
1 1 1  -11  -10   24 o  304.427   17.494  1188.79  132.435  1265.64  199.895  1128.67  176.805  309.200   26.134  292.965   24.389 16.23502 35.74606 
1 1 1  -11  -10   25 o  340.376   18.708  1493.69  158.401  1579.55  237.125  1424.51  212.861  343.591   27.877  327.438   26.253 16.15240 38.29307 
1 1 1  -11  -10   26 o   80.566   22.070   87.523   45.712   31.831  101.313  101.759   51.223   76.387   31.882   86.585   23.215 -10.19839 39.43842 
1 1 1  -11  -10   27 o  176.046   20.814  409.772   89.733   0.0000   0.0000  409.772   89.733  ?   ?   176.046   20.814 0.000000 20.81433 
1 1 1  -11  -10   28 o  190.081   16.765  470.502   78.763  519.088  140.770  448.360   95.030  191.319   30.488  183.337   21.144 7.982208 37.10254 
1 1 1  -11  -10   29 o   64.869   22.098   53.773   42.872 -32.8422  110.321   69.180   46.529   66.644   30.304   71.733   22.965 -5.089668 38.02284 
1 1 1  -11  -10   30 o  148.985   18.255  297.441   66.496  210.336  133.486  326.191   76.689  113.384   38.985  154.898   20.316 -41.51472 43.96114 
1 1 1  -11  -10   31 o   86.778   35.803   94.128  125.670   94.128  125.670   0.0000   0.0000   86.778   35.803  ?   ?  0.000000 35.80265 
1 1 1  -11  -10   32 f   55.341   20.776   35.641   38.893 -12.9305  126.788   40.687   40.863   69.693   31.991   57.797   21.375 11.89531 38.47446 
1 1 1  -11  -10   33 o   73.911   21.981   80.009   43.561  204.444  140.373   66.749   45.823  102.976   39.283   68.288   22.848 34.68783 45.44456 
1 1 1  -11  -10   34 o   54.588   20.984   34.785   40.245   0.0000   0.0000   34.785   40.245  ?   ?    54.588   20.984 0.000000 20.98406 
1 1 1  -11  -10   35 o   87.445   23.133  118.106   51.294   0.0000   0.0000  118.106   51.294  ?   ?    87.445   23.133 0.000000 23.13263 
1 1 1  -11  -10   36 o  169.601   21.364  430.360   88.475   0.0000   0.0000  430.360   88.475  ?   ?   169.601   21.364 0.000000 21.36429 
1 1 1  -11   -9    1 o  885.536   31.301  9920.23  692.166  9686.65  1198.95 10036.99  847.697  861.181   56.057  887.894   38.232 -26.71277 67.85320 
1 1 1  -11   -9    2 o  319.835   16.738  1285.61  133.223  961.424  188.595  1608.50  188.217  274.663   27.883  357.207   21.195 -82.54388 35.02430 
1 1 1  -11   -9    3 o  629.947   22.908  4991.30  360.360  4720.61  624.436  5126.47  441.252  606.283   41.494  637.338   27.725 -31.05530 49.90364 
1 1 1  -11   -9    4 f  376.677   14.795  1777.19  139.171  1956.55  242.798  1689.42  169.841  393.338   24.847  366.455   18.621 26.88287 31.04982 
1 1 1  -11   -9    5 o  588.491   21.427  4354.06  314.892  4255.93  546.270  4402.90  385.359  576.357   38.171  590.797   26.120 -14.44006 46.25228 
1 1 1  -11   -9    6 o  336.842   14.200  1421.23  119.440  1189.17  207.939  1535.49  145.913  305.577   27.546  349.906   16.699 -44.32910 32.21241 
1 1 1  -11   -9    7 o  683.989   24.744  5902.24  422.640  5951.34  733.319  5877.82  517.174  678.294   43.523  680.781   30.421 -2.486694 53.10126 
1 1 1  -11   -9    8 o  242.770   20.830  747.117  125.057   0.0000   0.0000  747.117  125.057  ?   ?   242.770   20.830 0.000000 20.83002 
1 1 1  -11   -9    9 o  394.505   27.730  1983.16  271.448   0.0000   0.0000  1983.16  271.448  ?   ?   394.505   27.730 0.000000 27.73017 
1 1 1  -11   -9   10 o  245.419   14.888  758.603   90.811  781.372  130.297  737.096  126.635  247.995   21.245  240.809   21.277 7.185913 30.06779 
1 1 1  -11   -9   11 o  338.099   17.592  1442.48  148.017  1455.53  210.863  1429.80  207.825  337.784   25.179  334.807   25.038 2.976471 35.50936 
1 1 1  -11   -9   12 o  191.470   14.121  462.875   67.043  424.004   97.376  497.906   92.442  181.754   21.895  197.779   18.949 -16.02530 28.95623 
1 1 1  -11   -9   13 o  424.185   20.352  2277.56  215.586  2417.31  307.149  2141.86  302.669  433.308   28.546  407.133   29.981 26.17548 41.39713 
1 1 1  -11   -9   14 o  397.782   28.713  2046.93  283.303  2046.93  283.303   0.0000   0.0000  397.782   28.713  ?   ?  0.000000 28.71339 
1 1 1  -11   -9   15 o  183.357   14.105  425.797   64.087  436.750   94.527  416.480   87.183  184.187   20.923  180.122   19.704 4.065536 28.74058 
1 1 1  -11   -9   16 o  172.732   14.090  378.508   60.249  414.732   90.687  349.888   80.610  179.323   20.627  164.685   20.013 14.63832 28.74003 
1 1 1  -11   -9   17 o  542.633   25.269  3799.97  342.410  3963.28  487.122  3640.46  481.410  544.153   36.052  520.213   37.306 23.93970 51.87961 
1 1 1  -11   -9   18 o  261.159   15.644  866.287  101.553  900.029  148.758  836.838  138.975  263.747   22.811  254.535   22.083 9.211639 31.74906 
1 1 1  -11   -9   19 o  168.193   19.666  365.873   81.039   0.0000   0.0000  365.873   81.039  ?   ?   168.193   19.666 0.000000 19.66598 
1 1 1  -11   -9   20 o  257.224   16.106  842.602  102.936  782.668  151.084  894.525  140.625  244.479   25.104  263.054   21.598 -18.57533 33.11605 
1 1 1  -11   -9   21 f  179.693   15.169  411.957   67.430  375.666  104.165  438.134   88.467  168.252   25.599  184.099   19.542 -15.84673 32.20573 
1 1 1  -11   -9   22 o  297.043   17.165  1127.01  126.782  1125.29  186.716  1128.47  172.696  292.747   25.805  294.285   23.701 -1.537628 35.03740 
1 1 1  -11   -9   23 o  145.913   27.968  288.341   98.198  288.341   98.198   0.0000   0.0000  145.913   27.968  ?   ?  0.000000 27.96778 
1 1 1  -11   -9   24 o  246.107   22.096  788.991  134.350   0.0000   0.0000  788.991  134.350  ?   ?   246.107   22.096 0.000000 22.09618 
1 1 1  -11   -9   25 o  173.266   28.842  407.649  120.406  407.649  120.406   0.0000   0.0000  173.266   28.842  ?   ?  0.000000 28.84216 
1 1 1  -11   -9   26 o  146.160   17.085  276.728   61.180  278.552  110.063  275.913   73.598  140.950   32.001  144.652   20.987 -3.702835 38.26930 
1 1 1  -11   -9   27 o  125.231   18.348  205.860   55.678  235.020  108.361  195.399   64.901  128.203   33.483  120.588   22.376 7.615570 40.27145 
1 1 1  -11   -9   28 o  432.623   32.526  2616.69  348.823   0.0000   0.0000  2616.69  348.823  ?   ?   432.623   32.526 0.000000 32.52630 
1 1 1  -11   -9   29 o  256.647   17.407  858.276  110.903  880.138  178.415  844.510  141.578  251.001   28.998  250.857   22.851 0.1436157 36.91996 
1 1 1  -11   -9   30 o  125.830   19.210  212.894   58.449  167.756  119.397  227.120   67.030  105.630   36.839  128.904   21.587 -23.27416 42.69768 
1 1 1  -11   -9   31 o  177.909   17.333  420.515   76.030  478.378  147.622  399.626   88.698  175.241   34.959  170.895   21.243 4.345932 40.90733 
1 1 1  -11   -9   32 o   92.961   36.730  128.383  126.085  128.383  126.085   0.0000   0.0000   92.961   36.730  ?   ?  0.000000 36.72977 
1 1 1  -11   -9   33 o   90.495   21.582  118.305   48.086  111.128  131.197  119.419   51.682   87.989   36.465   90.254   22.895 -2.265190 43.05663 
1 1 1  -11   -9   34 o   86.266   21.925  109.535   47.330  227.714  139.945   94.271   50.294  107.728   39.606   79.385   23.621 28.34337 46.11476 
1 1 1  -11   -9   35 o   97.295   21.611  139.836   51.140   0.0000   0.0000  139.836   51.140  ?   ?    97.295   21.611 0.000000 21.61052 
1 1 1  -11   -9   36 o   98.551   22.089  146.794   53.016   0.0000   0.0000  146.794   53.016  ?   ?    98.551   22.089 0.000000 22.08887 
1 1 1  -11   -9   37 o   84.277   22.536  111.517   48.347   0.0000   0.0000  111.517   48.347  ?   ?    84.277   22.536 0.000000 22.53589 
1 1 1  -11   -8    1 o  357.749   14.510  1602.39  129.632  1617.74  225.309  1594.80  158.492  357.572   25.398  356.654   17.795 0.9177551 31.01184 
1 1 1  -11   -8    2 o  485.152   18.188  2951.68  220.355  2542.93  381.248  3156.73  270.026  446.537   34.456  501.277   21.571 -54.73984 40.65183 
1 1 1  -11   -8    3 o  529.731   24.226  3531.33  320.470  3455.51  453.875  3606.71  452.555  520.658   35.114  532.241   34.231 -11.58276 49.03820 
1 1 1  -11   -8    4 o  405.739   16.017  2062.73  162.281  2038.14  281.920  2074.91  198.458  400.849   28.347  406.587   19.546 -5.737823 34.43254 
1 1 1  -11   -8    5 o  670.742   23.939  5662.92  400.978  6101.48  696.294  5445.32  490.470  689.934   40.593  656.244   29.929 33.69067 50.43376 
1 1 1  -11   -8    6 o  216.837   11.422  589.819   61.628  520.054  108.522  623.026   74.872  202.225   21.836  222.672   13.529 -20.44704 25.68789 
1 1 1  -11   -8    7 o  289.750   12.997  1051.01   94.039  921.030  164.382  1114.25  114.654  269.218   24.728  297.779   15.472 -28.56110 29.16898 
1 1 1  -11   -8    8 o  1008.34   35.757 12965.70  900.356 13392.20  1561.36 12753.23  1102.04  1001.72   62.734  994.451   44.377 7.273621 76.84310 
1 1 1  -11   -8    9 o  655.602   42.538  5564.14  692.660   0.0000   0.0000  5564.14  692.660  ?   ?   655.602   42.538 0.000000 42.53844 
1 1 1  -11   -8   10 f  601.291   26.891  4580.46  403.775  4898.56  573.174  4267.08  568.898  616.642   37.399  574.138   39.928 42.50372 54.70767 
1 1 1  -11   -8   11 o  537.165   24.630  3652.49  330.382  3783.76  468.508  3522.64  465.965  542.053   34.796  522.411   35.937 19.64246 50.02194 
1 1 1  -11   -8   12 o  131.481   14.235  219.470   45.993  237.728   68.144  204.195   62.332  135.727   20.766  125.617   20.584 10.10998 29.23865 
1 1 1  -11   -8   13 o  273.110   15.701  941.040  106.632  950.657  152.908  931.935  148.777  273.004   22.633  270.386   22.231 2.618439 31.72521 
1 1 1  -11   -8   14 o  521.123   24.290  3457.23  316.093  3456.58  448.297  3457.86  445.759  514.688   35.089  514.918   34.872 -0.2304077 49.47015 
1 1 1  -11   -8   15 o  191.181   21.070  469.360   98.919  469.360   98.919   0.0000   0.0000  191.181   21.070  ?   ?  0.000000 21.06975 
1 1 1  -11   -8   16 o  143.178   14.251  260.675   50.275  271.858   75.435  251.739   67.435  144.639   21.542  139.474   19.928 5.165009 29.34630 
1 1 1  -11   -8   17 o  422.277   20.713  2272.25  218.417  2276.83  311.316  2267.80  306.516  417.130   30.089  416.567   29.660 0.5630798 42.24950 
1 1 1  -11   -8   18 o  221.896   14.711  624.370   81.055  678.008  119.670  578.904  110.177  229.463   21.121  211.896   21.102 17.56709 29.85683 
1 1 1  -11   -8   19 o  181.268   14.714  417.846   66.029  371.832   99.142  454.526   88.518  168.264   24.299  187.977   19.123 -19.71277 30.92148 
1 1 1  -11   -8   20 o  252.959   21.884  827.014  136.876   0.0000   0.0000  827.014  136.876  ?   ?   252.959   21.884 0.000000 21.88389 
1 1 1  -11   -8   21 o  179.669   14.876  411.219   66.141  439.002  101.686  390.844   87.080  183.370   22.691  173.593   20.482 9.777451 30.56808 
1 1 1  -11   -8   22 o  420.145   21.004  2266.22  220.368  2263.38  316.667  2268.88  306.859  412.346   30.980  413.721   29.903 -1.374115 43.05725 
1 1 1  -11   -8   23 o  168.922   15.643  364.979   65.236  362.278  105.197  366.667   83.156  164.785   26.460  167.999   20.228 -3.213211 33.30611 
1 1 1  -11   -8   24 o  203.305   25.501  546.393  126.616  546.393  126.616   0.0000   0.0000  203.305   25.501  ?   ?  0.000000 25.50069 
1 1 1  -11   -8   25 o  112.447   18.442  165.678   49.990  219.165   92.146  143.372   59.507  126.156   29.736  103.151   23.612 23.00519 37.97001 
1 1 1  -11   -8   26 o  156.168   16.478  314.136   63.292  394.418  111.331  275.800   76.933  171.265   26.919  144.472   22.021 26.79366 34.77895 
1 1 1  -11   -8   27 o  196.597   16.515  496.963   80.328  486.219  134.188  502.964  100.280  188.783   29.423  196.166   20.788 -7.382965 36.02590 
1 1 1  -11   -8   28 o  407.524   21.044  2166.51  213.425  2280.20  315.005  2070.04  290.178  407.929   31.159  389.809   30.042 18.11926 43.28239 
1 1 1  -11   -8   29 o  130.283   22.024  228.533   69.100   0.0000   0.0000  228.533   69.100  ?   ?   130.283   22.024 0.000000 22.02417 
1 1 1  -11   -8   30 o   79.143   22.408   85.917   46.289 -28.9238  109.154  111.097   51.112   67.422   30.452   89.595   22.791 -22.17277 38.03623 
1 1 1  -11   -8   31 o  108.028   20.746  159.971   53.932  136.371  120.540  165.878   60.305   98.150   36.629  109.096   22.867 -10.94595 43.18101 
1 1 1  -11   -8   32 o  115.388   20.144  183.109   55.932  222.904  128.605  173.826   62.114  115.947   38.258  110.784   23.196 5.162811 44.74045 
1 1 1  -11   -8   33 o   52.828   25.847 -163.3799  113.954 -163.3799  113.954   0.0000   0.0000   52.828   25.847  ?   ?  0.000000 25.84739 
1 1 1  -11   -8   34 o   99.130   20.686  140.115   49.551  102.505  137.852  145.695   53.100   86.934   36.789  100.487   21.789 -13.55296 42.75713 
1 1 1  -11   -8   35 o  164.673   17.880  373.083   72.345  363.213  157.956  375.703   81.382  133.371   42.272  163.036   20.438 -29.66521 46.95370 
1 1 1  -11   -8   36 o   97.901   22.027  142.509   52.549   0.0000   0.0000  142.509   52.549  ?   ?    97.901   22.027 0.000000 22.02733 
1 1 1  -11   -8   37 o   63.590   21.674   58.944   41.243   0.0000   0.0000   58.944   41.243  ?   ?    63.590   21.674 0.000000 21.67431 
1 1 1  -11   -8   38 o   56.940   20.903   44.995   38.962   0.0000   0.0000   44.995   38.962  ?   ?    56.940   20.903 0.000000 20.90309 
1 1 1  -11   -7    1 o  578.795   18.370  4200.88  265.507  4226.83  375.522  4174.95  375.446  579.341   25.957  575.745   26.114 3.595703 36.81945 
1 1 1  -11   -7    2 o  324.520   12.859  1317.73  104.204  1490.51  181.789  1233.17  127.170  343.859   21.275  313.312   16.310 30.54688 26.80778 
1 1 1  -11   -7    3 o  484.438   22.047  2948.73  266.715  3185.78  378.608  2715.20  375.793  501.233   30.392  461.993   32.786 39.23932 44.70568 
1 1 1  -11   -7    4 o  434.948   19.856  2374.39  215.669  2692.56  306.834  2063.70  303.201  461.451   26.742  403.003   30.351 58.44830 40.45131 
1 1 1  -11   -7    5 o  457.701   17.370  2626.34  198.528  2323.49  343.951  2777.64  243.115  427.163   32.488  470.299   20.701 -43.13586 38.52237 
1 1 1  -11   -7    6 o  383.984   15.356  1847.02  147.249  1726.18  255.698  1906.97  180.111  368.789   27.973  389.878   18.500 -21.08871 33.53726 
1 1 1  -11   -7    7 o  140.446   9.9336  247.867   34.614  344.765   64.260  208.261   41.084  165.126   15.776  128.339   12.998 36.78674 20.44107 
1 1 1  -11   -7    8 o  510.860   19.206  3277.00  245.018  3272.30  425.689  3279.33  299.627  506.427   33.856  510.325   23.512 -3.898560 41.21916 
1 1 1  -11   -7    9 o  261.919   12.335  858.702   80.681  868.261  142.219  854.165   97.972  261.764   21.960  260.629   15.118 1.135254 26.66069 
1 1 1  -11   -7   10 o  489.388   32.795  3061.33  398.470   0.0000   0.0000  3061.33  398.470  ?   ?   489.388   32.795 0.000000 32.79529 
1 1 1  -11   -7   11 o  695.426   24.668  6112.83  428.392  6764.22  744.976  5791.02  523.628  722.497   41.465  674.463   31.090 48.03400 51.82547 
1 1 1  -11   -7   12 o  229.003   14.593  660.594   83.015  681.716  119.330  640.784  115.562  231.610   20.856  224.495   20.852 7.114120 29.49183 
1 1 1  -11   -7   13 o  389.196   19.262  1909.38  187.210  1909.82  265.989  1908.95  263.539  386.343   27.755  386.343   27.496 0.2746582E-03 39.06866 
1 1 1  -11   -7   14 o  571.854   26.019  4164.25  371.560  4401.46  527.161  3930.07  523.784  581.463   36.490  548.054   38.516 33.40912 53.05715 
1 1 1  -11   -7   15 o  277.402   15.783  971.907  108.883  1031.70  156.444  915.737  151.636  284.283   22.214  267.538   22.918 16.74509 31.91703 
1 1 1  -11   -7   16 o  275.351   23.178  972.543  157.890  972.543  157.890   0.0000   0.0000  275.351   23.178  ?   ?  0.000000 23.17797 
1 1 1  -11   -7   17 o  258.966   15.521  849.024   99.907  847.360  144.106  850.565  138.634  256.719   22.713  257.510   21.763 -0.7913513 31.45622 
1 1 1  -11   -7   18 o  432.500   21.145  2385.82  228.376  2364.34  325.254  2406.71  320.738  424.548   30.891  428.844   30.142 -4.295959 43.15997 
1 1 1  -11   -7   19 o  134.396   14.903  230.834   49.174  254.334   76.362  214.185   64.274  139.193   22.755  127.998   20.824 11.19489 30.84582 
1 1 1  -11   -7   20 o  248.247   15.583  782.755   96.111  776.537  140.501  788.224  131.762  244.736   23.270  247.225   21.558 -2.488739 31.72112 
1 1 1  -11   -7   21 o  270.692   22.556  947.899  151.083   0.0000   0.0000  947.899  151.083  ?   ?   270.692   22.556 0.000000 22.55589 
1 1 1  -11   -7   22 o  418.373   20.768  2242.85  216.975  2291.24  311.410  2197.20  302.484  416.090   30.176  407.614   29.926 8.475769 42.49874 
1 1 1  -11   -7   23 o  231.093   21.350  691.220  121.812   0.0000   0.0000  691.220  121.812  ?   ?   231.093   21.350 0.000000 21.34964 
1 1 1  -11   -7   24 o  216.756   15.832  599.246   85.105  628.906  129.589  576.753  112.853  219.153   24.076  210.670   21.765 8.482422 32.45596 
1 1 1  -11   -7   25 o  118.170   30.615  192.253   91.072  192.253   91.072   0.0000   0.0000  118.170   30.615  ?   ?  0.000000 30.61481 
1 1 1  -11   -7   26 o  314.458   17.507  1265.69  136.933  1406.30  204.368  1151.13  184.464  327.329   25.196  295.984   25.197 31.34534 35.63292 
1 1 1  -11   -7   27 o   94.645   21.139  119.979   48.701  141.729   96.777  112.603   56.357  102.603   33.149   91.278   24.296 11.32523 41.09874 
1 1 1  -11   -7   28 o  154.429   17.282  308.858   65.502  381.440  119.346  277.570   78.358  166.579   29.784  144.536   22.437 22.04230 37.28942 
1 1 1  -11   -7   29 o  183.449   16.943  435.330   76.738  441.349  133.907  432.387   93.639  177.744   31.313  181.128   21.098 -3.383286 37.75703 
1 1 1  -11   -7   30 o  155.293   21.178  321.543   79.987   0.0000   0.0000  321.543   79.987  ?   ?   155.293   21.178 0.000000 21.17826 
1 1 1  -11   -7   31 o   65.873   21.591   56.443   40.986   27.261  110.159   61.132   44.156   76.144   32.576   68.346   22.411 7.797516 39.54021 
1 1 1  -11   -7   32 o  119.674   18.919  193.133   54.659  204.145  127.002  190.630   60.554  113.555   38.038  117.730   21.385 -4.175056 43.63662 
1 1 1  -11   -7   33 o  145.639   16.725  282.478   59.724  558.599  136.310  216.876   66.441  194.956   28.872  124.494   22.185 70.46242 36.41081 
1 1 1  -11   -7   34 o  142.177   39.292  356.377  144.147  356.377  144.147   0.0000   0.0000  142.177   39.292  ?   ?  0.000000 39.29180 
1 1 1  -11   -7   35 o  116.599   18.913  189.049   53.181  437.802  146.906  151.533   57.050  157.907   37.764  101.716   23.000 56.19086 44.21698 
1 1 1  -11   -7   36 o   91.789   20.878  122.276   46.776  314.899  149.597  101.403   49.245  124.584   41.270   82.410   23.035 42.17301 47.26298 
1 1 1  -11   -7   37 o  176.978   20.998  451.524   90.990   0.0000   0.0000  451.524   90.990  ?   ?   176.978   20.998 0.000000 20.99817 
1 1 1  -11   -7   38 o   81.617   22.736  103.098   48.059   0.0000   0.0000  103.098   48.059  ?   ?    81.617   22.736 0.000000 22.73567 
1 1 1  -11   -7   39 o   87.033   22.497  119.461   49.250   0.0000   0.0000  119.461   49.250  ?   ?    87.033   22.497 0.000000 22.49660 
1 1 1  -11   -6    1 o  1479.86   45.053 28043.72  1664.92 28055.29  2354.58 28032.16  2354.51  1461.12   64.532  1460.49   64.558 0.6314697 91.28080 
1 1 1  -11   -6    2 o  302.964   10.812  1147.75   81.801  1142.37  115.690  1153.12  115.679  301.633   15.411  303.061   15.335 -1.427612 21.74057 
1 1 1  -11   -6    3 o  386.940   13.299  1873.64  128.503  1888.42  181.781  1858.86  181.681  388.033   18.760  384.971   18.899 3.061646 26.62881 
1 1 1  -11   -6    4 f  545.693   24.764  3747.39  337.463  3774.28  478.101  3720.69  476.393  544.351   35.363  540.417   35.498 3.933899 50.10675 
1 1 1  -11   -6    5 o  584.841   20.929  4295.09  305.663  3847.90  528.956  4519.28  374.526  548.459   38.873  599.177   25.031 -50.71869 46.23477 
1 1 1  -11   -6    6 o  206.063   11.242  532.645   57.631  480.179  101.053  557.934   70.158  194.398   21.158  210.712   13.403 -16.31458 25.04616 
1 1 1  -11   -6    7 o  919.284   32.541 10705.70  747.008 11119.58  1295.32 10499.46  914.378  922.100   56.526  906.872   40.377 15.22791 69.46552 
1 1 1  -11   -6    8 o  1051.66   37.201 14084.59  976.967 13922.25  1692.68 14165.68  1196.35  1021.96   66.693  1049.51   45.648 -27.55035 80.81837 
1 1 1  -11   -6    9 o  493.121   18.621  3052.28  229.307  3064.49  398.498  3046.24  280.377  490.377   32.730  491.982   22.821 -1.605713 39.90090 
1 1 1  -11   -6   10 o  440.647   17.021  2435.96  187.300  2191.02  325.294  2557.44  229.085  414.339   31.679  451.043   20.339 -36.70334 37.64618 
1 1 1  -11   -6   11 o  349.540   25.483  1551.42  220.899   0.0000   0.0000  1551.42  220.899  ?   ?   349.540   25.483 0.000000 25.48283 
1 1 1  -11   -6   12 o  175.226   11.120  385.874   48.405  331.472   87.749  409.668   58.033  160.594   22.498  180.365   12.971 -19.77055 25.96967 
1 1 1  -11   -6   13 o  408.928   16.318  2100.73  166.631  2004.44  290.523  2147.93  203.415  395.651   29.620  412.917   19.727 -17.26572 35.58792 
1 1 1  -11   -6   14 o  191.606   10.509  461.090   50.092  604.224   93.165  402.885   59.410  218.474   17.216  178.714   13.410 39.76009 21.82250 
1 1 1  -11   -6   15 o  529.937   24.538  3569.53  324.730  3645.10  460.555  3494.82  457.932  529.667   35.018  518.252   35.600 11.41461 49.93586 
1 1 1  -11   -6   16 o  581.781   26.689  4329.29  387.745  4432.78  549.697  4226.80  547.022  580.480   38.134  566.179   38.927 14.30127 54.49274 
1 1 1  -11   -6   17 f  208.519   21.331  557.967  109.511  557.967  109.511   0.0000   0.0000  208.519   21.331  ?   ?  0.000000 21.33138 
1 1 1  -11   -6   18 o  208.530   14.519  550.559   75.136  562.564  109.930  540.033  102.932  209.158   21.346  205.155   20.361 4.002975 29.49940 
1 1 1  -11   -6   19 o  131.402   14.834  220.562   47.824  247.791   73.884  200.928   62.740  137.607   22.261  123.926   21.025 13.68086 30.62056 
1 1 1  -11   -6   20 o  132.688   15.342  225.374   49.896  186.180   76.053  254.995   66.114  117.782   26.499  140.292   19.390 -22.51038 32.83521 
1 1 1  -11   -6   21 o  218.820   15.189  608.254   82.486  580.071  122.073  631.934  111.895  211.148   23.553  221.550   20.456 -10.40192 31.19603 
1 1 1  -11   -6   22 o  333.169   25.507  1445.47  210.606   0.0000   0.0000  1445.47  210.606  ?   ?   333.169   25.507 0.000000 25.50739 
1 1 1  -11   -6   23 f  463.634   33.680  2878.87  387.273  2878.87  387.273   0.0000   0.0000  463.634   33.680  ?   ?  0.000000 33.67958 
1 1 1  -11   -6   24 o  477.387   23.424  2942.66  279.241  2829.03  399.059  3051.68  390.881  457.656   35.187  477.573   32.978 -19.91702 48.22547 
1 1 1  -11   -6   25 o  261.021   15.909  867.666  103.205  1019.35  156.221  750.202  137.477  280.353   22.504  239.959   23.233 40.39336 32.34542 
1 1 1  -11   -6   26 o   74.546   29.616   44.514   82.396   44.514   82.396   0.0000   0.0000   74.546   29.616  ?   ?  0.000000 29.61644 
1 1 1  -11   -6   27 o  468.012   23.052  2839.74  269.408  2889.52  388.652  2793.69  373.785  461.286   33.979  454.396   33.170 6.889954 47.48495 
1 1 1  -11   -6   28 o  156.399   17.346  316.116   66.604  293.781  115.972  327.108   81.361  144.922   32.809  157.867   21.172 -12.94420 39.04704 
1 1 1  -11   -6   29 o  136.305   17.732  241.972   58.927  207.277  113.547  254.760   68.937  120.671   35.385  139.003   20.473 -18.33154 40.88081 
1 1 1  -11   -6   30 o  158.040   16.922  324.192   65.746  333.569  124.014  320.526   77.539  152.654   33.456  155.816   20.419 -3.161194 39.19469 
1 1 1  -11   -6   31 o   67.845   22.637   58.896   44.980   0.0000   0.0000   58.896   44.980  ?   ?    67.845   22.637 0.000000 22.63703 
1 1 1  -11   -6   32 o   67.692   21.453   60.892   40.684  109.730  107.795   52.780   43.933   91.849   34.568   64.799   22.361 27.04990 41.16929 
1 1 1  -11   -6   33 o   65.209   21.637   56.013   41.115   9.3188  108.924   63.772   44.400   71.579   31.486   68.915   22.467 2.663681 38.67992 
1 1 1  -11   -6   34 o  130.559   18.560  231.322   58.809  202.542  130.783  238.616   65.840  109.894   38.543  131.377   20.758 -21.48293 43.77722 
1 1 1  -11   -6   35 f  168.084   38.980  489.333  160.434  489.333  160.434   0.0000   0.0000  168.084   38.980  ?   ?  0.000000 38.97964 
1 1 1  -11   -6   36 o  170.724   17.495  396.602   73.532  542.616  164.525  360.155   82.198  175.148   38.652  159.720   21.127 15.42770 44.04915 
1 1 1  -11   -6   37 o  104.474   20.235  156.393   50.885  270.867  155.049  142.574   53.869  113.689   41.704   98.212   22.454 15.47648 47.36483 
1 1 1  -11   -6   38 o  108.588   22.083  175.279   57.841   0.0000   0.0000  175.279   57.841  ?   ?   108.588   22.083 0.000000 22.08275 
1 1 1  -11   -6   39 o   70.823   22.363   76.827   44.239   0.0000   0.0000   76.827   44.239  ?   ?    70.823   22.363 0.000000 22.36300 
1 1 1  -11   -5    1 o  1048.90   31.514 13907.49  825.446 13737.62  1167.10 14077.51  1167.61  1035.82   45.120  1048.87   44.579 -13.04639 63.42813 
1 1 1  -11   -5    2 o  443.408   14.718  2461.53  162.974  2464.72  230.484  2458.34  230.475  443.095   20.830  442.518   20.857 0.5767212 29.47701 
1 1 1  -11   -5    3 o  644.332   19.771  5209.16  318.127  5176.72  449.861  5241.60  449.937  640.725   28.116  644.766   27.945 -4.041199 39.64117 
1 1 1  -11   -5    4 o  912.904   39.388 10609.45  897.916  9516.85  1268.53 11706.60  1271.17  852.074   60.000  949.724   53.820 -97.65002 80.60172 
1 1 1  -11   -5    5 o  695.523   30.779  6113.01  534.587  6109.98  756.665  6116.04  755.376  689.709   44.165  690.098   44.063 -0.3887939 62.38640 
1 1 1  -11   -5    6 o  617.212   22.171  4786.80  341.726  5232.66  593.419  4565.58  417.988  640.610   37.256  601.690   27.819 38.92004 46.49627 
1 1 1  -11   -5    7 o  855.470   30.405  9249.58  649.533  9379.15  1125.98  9184.96  795.174  849.332   53.360  849.811   37.470 -0.4791870 65.20230 
1 1 1  -11   -5    8 o  480.627   16.782  2895.43  201.418  3437.77  351.291  2629.82  245.842  521.422   27.072  457.485   21.519 63.93726 34.58300 
1 1 1  -11   -5    9 o  849.649   30.194  9131.84  640.636  8862.42  1109.94  9266.43  784.502  823.664   54.267  853.202   36.821 -29.53772 65.57966 
1 1 1  -11   -5   10 o  433.476   16.797  2356.28  181.824  2070.84  315.643  2498.03  222.437  402.991   31.619  445.927   19.975 -42.93619 37.40033 
1 1 1  -11   -5   11 o  147.012   11.092  271.935   40.420  190.632   73.480  307.210   48.400  120.728   25.188  156.156   12.517 -35.42883 28.12661 
1 1 1  -11   -5   12 f  232.068   20.666  682.983  118.512   0.0000   0.0000  682.983  118.512  ?   ?   232.068   20.666 0.000000 20.66643 
1 1 1  -11   -5   13 o  713.927   25.885  6452.88  461.483  6268.70  800.439  6544.59  564.802  691.712   46.611  716.583   31.563 -24.87109 56.29252 
1 1 1  -11   -5   14 o  286.124   13.067  1026.30   93.362  995.113  164.846  1041.03  113.282  279.464   23.849  287.470   15.842 -8.005249 28.63133 
1 1 1  -11   -5   15 o  361.693   15.107  1643.46  136.446  1502.52  238.529  1712.01  166.350  342.181   28.165  368.676   18.069 -26.49509 33.46264 
1 1 1  -11   -5   16 o  201.388   11.697  510.216   58.569  454.239  105.748  534.986   70.344  187.878   23.021  205.945   13.757 -18.06723 26.81871 
1 1 1  -11   -5   17 o  351.344   18.280  1563.53  159.827  1589.10  226.990  1538.38  225.083  351.675   26.032  345.907   26.253 5.768555 36.97171 
1 1 1  -11   -5   18 o  290.607   23.905  1085.34  171.937  1085.34  171.937   0.0000   0.0000  290.607   23.905  ?   ?  0.000000 23.90460 
1 1 1  -11   -5   19 o  361.858   18.634  1664.54  167.809  1691.42  239.753  1638.72  234.954  361.409   26.755  355.761   26.640 5.648254 37.75650 
1 1 1  -11   -5   20 o   65.399   19.611   55.016   34.565   88.499   58.561   37.114   42.820   82.836   25.664   59.774   21.918 23.06240 33.74944 
1 1 1  -11   -5   21 f  169.662   15.019  366.381   62.973  292.495   93.834  426.928   84.943  148.419   26.279  182.287   18.937 -33.86807 32.39137 
1 1 1  -11   -5   22 o  217.546   20.887  610.215  112.076   0.0000   0.0000  610.215  112.076  ?   ?   217.546   20.887 0.000000 20.88727 
1 1 1  -11   -5   23 o  217.827   21.087  612.777  113.270   0.0000   0.0000  612.777  113.270  ?   ?   217.827   21.087 0.000000 21.08733 
1 1 1  -11   -5   24 o  319.594   17.712  1302.93  140.807  1322.24  204.818  1285.61  193.893  318.132   26.009  314.241   24.913 3.891693 36.01556 
1 1 1  -11   -5   25 o  206.846   15.553  545.099   79.751  563.990  121.755  530.905  105.543  207.679   23.914  202.407   21.195 5.271545 31.95481 
1 1 1  -11   -5   26 o  233.313   16.373  694.602   94.791  620.824  142.897  752.578  126.673  216.525   27.016  241.174   21.250 -24.64958 34.37194 
1 1 1  -11   -5   27 o  318.702   27.441  1341.26  216.264  1341.26  216.264   0.0000   0.0000  318.702   27.441  ?   ?  0.000000 27.44123 
1 1 1  -11   -5   28 o  162.591   16.617  339.941   66.520  290.733  113.110  365.959   82.245  144.807   32.120  167.697   20.036 -22.89029 37.85740 
1 1 1  -11   -5   29 o  103.770   19.795  142.850   49.424  162.917   98.140  136.032   57.208  108.661   33.148  100.357   23.279 8.304382 40.50531 
1 1 1  -11   -5   30 o  147.196   16.945  280.859   61.148  322.831  112.771  263.380   72.775  152.247   30.721  140.993   21.337 11.25453 37.40397 
1 1 1  -11   -5   31 o   50.720   20.157   19.370   38.178   38.933   97.422   15.821   41.497   76.247   31.496   51.065   20.762 25.18190 37.72371 
1 1 1  -11   -5   32 o  150.134   20.672  301.161   75.447   0.0000   0.0000  301.161   75.447  ?   ?   150.134   20.672 0.000000 20.67203 
1 1 1  -11   -5   33 o  141.441   17.945  265.431   61.955  248.662  125.784  270.802   71.190  125.994   37.326  141.532   20.760 -15.53806 42.71012 
1 1 1  -11   -5   34 o  135.470   18.221  246.363   60.078  297.151  130.257  232.640   67.710  135.352   37.328  129.790   21.654 5.561768 43.15422 
1 1 1  -11   -5   35 o  130.502   18.557  231.637   58.773  273.987  134.798  221.697   65.307  125.831   38.928  125.906   21.546 -0.7453156E-01 44.49315 
1 1 1  -11   -5   36 o   83.205   35.758   74.701  133.819   74.701  133.819   0.0000   0.0000   83.205   35.758  ?   ?  0.000000 35.75842 
1 1 1  -11   -5   37 o   46.663   19.353   13.535   36.996   75.594  138.897   8.7959   38.383   82.443   35.927   45.832   19.405 36.61049 40.83241 
1 1 1  -11   -5   38 o  216.115   18.955  650.116  101.265  593.711  196.642  670.473  118.133  166.811   45.807  215.388   22.286 -48.57692 50.94048 
1 1 1  -11   -5   39 o   96.741   23.023  142.503   54.816   0.0000   0.0000  142.503   54.816  ?   ?    96.741   23.023 0.000000 23.02336 
1 1 1  -11   -5   40 o  129.753   21.722  252.990   67.896   0.0000   0.0000  252.990   67.896  ?   ?   129.753   21.722 0.000000 21.72248 
1 1 1  -11   -4    1 o  609.392   19.168  4658.01  291.698  4743.90  412.629  4572.21  412.416  613.624   26.928  602.318   27.420 11.30573 38.43119 
1 1 1  -11   -4    2 o  420.481   14.070  2213.00  147.742  2201.40  208.911  2224.61  208.966  418.855   19.973  421.067   19.873 -2.212280 28.17591 
1 1 1  -11   -4    3 o  586.183   18.300  4308.16  267.882  4327.91  378.896  4288.42  378.788  586.310   25.879  583.608   25.991 2.701660 36.67754 
1 1 1  -11   -4    4 o  517.718   16.723  3358.29  216.197  3402.02  305.765  3314.57  305.733  520.191   23.538  513.415   23.846 6.776245 33.50674 
1 1 1  -11   -4    5 o  683.135   30.041  5892.72  512.474  5264.08  724.177  6523.35  725.319  639.516   45.646  714.295   40.833 -74.77924 61.24439 
1 1 1  -11   -4    6 o  496.301   16.193  3085.68  200.693  3135.07  283.879  3036.32  283.766  499.451   22.761  491.471   23.121 7.980103 32.44460 
1 1 1  -11   -4    7 o  1101.38   32.719 15354.91  899.887 16286.27  1273.97 14427.45  1271.30  1127.31   45.255  1059.29   48.060 68.02014 66.01315 
1 1 1  -11   -4    8 o  607.543   22.218  4638.77  337.074  4666.75  584.705  4624.84  412.520  604.139   38.965  605.634   27.276 -1.494934 47.56302 
1 1 1  -11   -4    9 o  594.802   21.775  4446.20  323.436  4254.62  560.691  4541.75  395.957  576.437   39.184  600.242   26.416 -23.80530 47.25665 
1 1 1  -11   -4   10 o  489.341   18.556  3004.74  226.749  2980.22  393.888  3016.89  277.306  483.737   32.801  489.730   22.675 -5.993134 39.87568 
1 1 1  -11   -4   11 o  359.405   14.811  1618.34  132.933  1416.05  231.159  1718.30  162.489  333.604   28.007  370.081   17.582 -36.47684 33.06852 
1 1 1  -11   -4   12 o  932.632   32.940 11061.12  767.166 11535.27  1331.03 10825.25  938.786  933.888   57.352  918.101   40.947 15.78754 70.46953 
1 1 1  -11   -4   13 f  592.554   38.828  4527.61  571.362   0.0000   0.0000  4527.61  571.362  ?   ?   592.554   38.828 0.000000 38.82759 
1 1 1  -11   -4   14 o  377.173   15.276  1785.17  143.880  1808.79  251.451  1773.67  175.438  376.775   26.902  375.488   18.710 1.286896 32.76875 
1 1 1  -11   -4   15 o  293.094   13.322  1077.25   97.507  973.915  171.354  1126.73  118.578  276.077   25.130  299.056   15.936 -22.97839 29.75678 
1 1 1  -11   -4   16 o  231.599   12.305  674.426   70.910  490.547  125.603  760.453   85.911  194.625   26.535  245.717   14.060 -51.09161 30.02966 
1 1 1  -11   -4   17 o  229.246   12.338  661.261   70.373  390.033  124.905  787.399   85.180  171.938   30.192  250.006   13.696 -78.06740 33.15365 
1 1 1  -11   -4   18 o  341.171   16.148  1467.21  137.578  1806.51  200.137  1163.22  189.434  376.662   21.366  300.677   25.469 75.98477 33.24376 
1 1 1  -11   -4   19 o  335.256   14.113  1414.93  118.152  1515.22  208.778  1367.68  143.308  343.314   24.514  328.433   17.537 14.88052 30.14052 
1 1 1  -11   -4   20 f  238.963   15.365  723.565   91.204  696.217  132.393  748.266  125.822  232.243   23.136  241.498   21.075 -9.255112 31.29598 
1 1 1  -11   -4   21 o  252.075   15.647  805.965   98.009  847.709  144.265  770.185  133.564  256.360   22.772  244.494   22.116 11.86623 31.74383 
1 1 1  -11   -4   22 o  201.364   22.712  525.941  112.213  525.941  112.213   0.0000   0.0000  201.364   22.712  ?   ?  0.000000 22.71244 
1 1 1  -11   -4   23 o  254.520   15.920  823.166  100.675  824.579  147.489  821.933  137.761  252.111   23.705  252.325   22.086 -0.2131348 32.39941 
1 1 1  -11   -4   24 o  287.341   23.529  1069.91  167.350   0.0000   0.0000  1069.91  167.350  ?   ?   287.341   23.529 0.000000 23.52898 
1 1 1  -11   -4   25 o  234.862   16.084  702.370   93.763  626.402  139.124  765.591  126.916  218.299   26.035  243.607   21.070 -25.30786 33.49283 
1 1 1  -11   -4   26 o  277.037   16.714  978.061  115.086  1000.13  172.027  960.181  154.838  276.684   25.173  272.050   23.007 4.634277 34.10333 
1 1 1  -11   -4   27 o  189.719   15.737  459.536   73.885  496.883  118.862  436.020   94.321  194.187   25.099  183.201   20.996 10.98540 32.72308 
1 1 1  -11   -4   28 o  375.369   29.734  1874.45  276.433  1874.45  276.433   0.0000   0.0000  375.369   29.734  ?   ?  0.000000 29.73367 
1 1 1  -11   -4   29 o   38.038   17.351 -22.5658   36.528 -55.3829   83.923 -14.8954   40.573   56.290   25.908   42.336   18.886 13.95487 32.06143 
1 1 1  -11   -4   30 o  136.930   17.338  243.340   57.958  280.815  105.703  227.230   69.305  142.284   30.654  130.769   22.004 11.51517 37.73421 
1 1 1  -11   -4   31 o  203.371   16.806  533.411   84.583  493.997  139.779  556.181  106.242  188.942   30.678  205.922   20.952 -16.98045 37.14995 
1 1 1  -11   -4   32 o  130.429   18.905  224.842   59.779   76.992  110.462  286.075   71.088   86.815   34.354  147.009   19.874 -60.19461 39.68869 
1 1 1  -11   -4   33 o  295.740   24.778  1187.59  181.304   0.0000   0.0000  1187.59  181.304  ?   ?   295.740   24.778 0.000000 24.77810 
1 1 1  -11   -4   34 o  178.053   17.018  417.333   74.746  531.140  145.014  376.158   87.226  190.208   31.642  166.481   21.482 23.72662 38.24532 
1 1 1  -11   -4   35 o  264.541   17.935  930.605  117.780  1013.41  194.824  882.909  147.859  262.058   30.332  251.958   23.781 10.09930 38.54305 
1 1 1  -11   -4   36 o  169.821   17.469  387.425   73.024  507.620  148.981  349.417   83.778  178.081   34.749  158.217   21.782 19.86398 41.01135 
1 1 1  -11   -4   37 o  140.008   41.774  369.783  157.137  369.783  157.137   0.0000   0.0000  140.008   41.774  ?   ?  0.000000 41.77401 
1 1 1  -11   -4   38 o  330.399   21.282  1537.30  174.659  1539.58  282.131  1535.89  222.401  294.138   39.401  316.706   28.424 -22.56744 48.58291 
1 1 1  -11   -4   39 o  135.648   18.945  258.649   62.421  396.395  168.398  236.708   67.209  134.753   43.745  127.383   21.919 7.369911 48.92936 
1 1 1  -11   -4   40 o  120.419   22.122  216.359   64.071   0.0000   0.0000  216.359   64.071  ?   ?   120.419   22.122 0.000000 22.12198 
1 1 1  -11   -3    1 o  500.344   16.231  3136.01  202.792  3111.39  286.713  3160.67  286.871  497.547   23.076  501.496   22.907 -3.949066 32.51522 
1 1 1  -11   -3    2 o  1040.95   31.674 13697.88  823.337 13730.63  1164.38 13665.12  1164.37  1035.72   45.020  1033.18   45.130 2.535400 63.74539 
1 1 1  -11   -3    3 o  662.258   20.660  5505.04  341.677  5691.74  483.404  5318.66  483.005  671.728   28.818  649.112   29.798 22.61652 41.45336 
1 1 1  -11   -3    4 o  530.412   16.909  3525.16  223.959  3576.22  316.782  3474.13  316.670  533.321   23.786  525.601   24.127 7.719604 33.88032 
1 1 1  -11   -3    5 o  1077.04   46.974 14880.03  1263.38 14761.04  1786.95 14998.94  1786.43  1055.50   68.160  1064.54   67.551 -9.041504 95.96305 
1 1 1  -11   -3    6 o  752.980   32.689  7173.57  614.653  7710.05  870.937  6641.22  867.573  774.780   45.211  717.263   48.726 57.51617 66.47021 
1 1 1  -11   -3    7 o  693.631   21.573  6042.59  373.675  6089.81  528.487  5995.37  528.426  694.318   30.481  688.850   30.719 5.467590 43.27513 
1 1 1  -11   -3    8 o  310.938   10.971  1209.05   85.185  1237.76  120.647  1180.50  120.294  314.374   15.368  306.592   15.765 7.782379 22.01647 
1 1 1  -11   -3    9 o  213.666   11.340  572.599   60.291  552.020  106.118  582.408   73.264  208.674   20.635  215.274   13.700 -6.599960 24.76850 
1 1 1  -11   -3   10 o  385.200   15.060  1858.48  144.867  2018.31  252.834  1780.36  176.759  399.467   25.479  376.688   18.791 22.77905 31.65841 
1 1 1  -11   -3   11 o  440.098   14.933  2426.31  164.116  3001.40  287.466  2148.23  199.893  488.290   23.575  413.650   19.351 74.64023 30.50040 
1 1 1  -11   -3   12 o  855.604   30.221  9273.51  645.699  8661.54  1118.15  9579.69  790.901  811.578   55.505  866.746   36.541 -55.16760 66.45329 
1 1 1  -11   -3   13 o  503.441   33.638  3241.31  420.455   0.0000   0.0000  3241.31  420.455  ?   ?   503.441   33.638 0.000000 33.63773 
1 1 1  -11   -3   14 o  402.426   16.097  2032.47  161.769  1925.68  282.792  2084.41  197.225  388.351   29.378  407.064   19.402 -18.71310 35.20629 
1 1 1  -11   -3   15 o  396.486   15.971  1974.05  158.133  1902.68  275.827  2009.00  192.999  385.759   28.842  399.447   19.348 -13.68866 34.73063 
1 1 1  -11   -3   16 o  470.343   18.233  2785.69  214.158  2471.73  372.293  2940.95  261.812  437.132   34.383  482.417   21.733 -45.28510 40.67544 
1 1 1  -11   -3   17 o  631.674   23.170  5060.31  365.484  4453.44  633.519  5363.05  447.455  579.562   44.104  648.176   27.644 -68.61359 52.05185 
1 1 1  -11   -3   18 o  297.159   12.756  1108.57   94.658  1284.26  169.085  1028.37  114.237  317.581   21.446  285.307   16.100 32.27368 26.81692 
1 1 1  -11   -3   19 o  217.583   14.532  598.468   78.506  558.960  116.410  631.426  106.324  208.373   22.741  222.495   19.328 -14.12180 29.84511 
1 1 1  -11   -3   20 o  270.373   13.076  919.416   88.284  843.216  157.593  954.268  106.578  255.348   25.037  274.598   15.607 -19.25069 29.50269 
1 1 1  -11   -3   21 o  130.386   11.532  215.225   37.162  198.811   76.399  220.312   42.533  122.127   25.856  131.669   13.110 -9.541832 28.98998 
1 1 1  -11   -3   22 o  104.718   12.788  140.037   32.746   46.486   69.418  166.812   37.137   71.623   27.553  114.340   13.252 -42.71638 30.57431 
1 1 1  -11   -3   23 o  367.170   15.170  1703.67  139.092  1787.58  246.742  1664.58  168.399  370.550   26.847  361.347   18.726 9.203064 32.73309 
1 1 1  -11   -3   24 o  244.108   15.979  757.536   96.870  702.911  143.470  803.305  131.324  232.051   25.162  249.728   21.261 -17.67650 32.94134 
1 1 1  -11   -3   25 o  420.175   30.178  2328.57  314.532   0.0000   0.0000  2328.57  314.532  ?   ?   420.175   30.178 0.000000 30.17772 
1 1 1  -11   -3   26 o  362.288   18.962  1677.72  170.950  1738.78  247.768  1622.24  236.169  364.301   27.437  352.038   27.072 12.26328 38.54467 
1 1 1  -11   -3   27 o  198.264   15.187  500.518   74.618  584.253  117.262  443.541   96.729  211.978   22.496  184.789   21.355 27.18855 31.01809 
1 1 1  -11   -3   28 o  302.773   17.702  1171.47  133.256  1139.77  196.646  1198.39  181.204  294.190   27.071  303.311   24.123 -9.121643 36.25978 
1 1 1  -11   -3   29 o  166.936   28.378  375.568  114.063  375.568  114.063   0.0000   0.0000  166.936   28.378  ?   ?  0.000000 28.37750 
1 1 1  -11   -3   30 o  227.216   16.491  660.982   92.935  645.678  146.124  671.377  120.431  220.017   27.173  227.078   21.494 -7.060989 34.64635 
1 1 1  -11   -3   31 o  203.763   16.612  533.785   83.792  510.581  137.958  547.348  105.476  193.503   29.482  204.659   20.933 -11.15552 36.15738 
1 1 1  -11   -3   32 o  134.285   18.493  236.668   60.368  189.591  114.283  254.888   71.097  115.029   35.886  138.422   21.247 -23.39361 41.70453 
1 1 1  -11   -3   33 o  228.503   17.161  678.080   97.210  674.572  160.410  680.116  122.206  219.610   30.037  226.157   21.914 -6.546906 37.18137 
1 1 1  -11   -3   34 o  163.383   20.964  358.620   83.561   0.0000   0.0000  358.620   83.561  ?   ?   163.383   20.964 0.000000 20.96425 
1 1 1  -11   -3   35 o  215.637   17.226  613.033   91.984  690.735  162.499  576.396  111.582  217.247   30.817  205.646   22.074 11.60092 37.90707 
1 1 1  -11   -3   36 o  159.398   17.686  340.274   69.213  460.226  143.707  304.047   78.976  170.841   34.865  147.901   22.058 22.93947 41.25683 
1 1 1  -11   -3   37 o  176.086   17.908  418.632   77.650  484.588  157.926  397.603   89.173  169.005   38.305  168.738   21.663 0.2671509 44.00627 
1 1 1  -11   -3   38 o   96.855   38.661  157.527  141.015  157.527  141.015   0.0000   0.0000   96.855   38.661  ?   ?  0.000000 38.66097 
1 1 1  -11   -3   39 o  223.518   18.880  690.324  104.398  684.753  198.648  692.450  122.711  188.198   43.185  219.255   22.743 -31.05659 48.80743 
1 1 1  -11   -3   40 o  136.557   19.685  265.266   65.188  446.114  183.305  239.082   69.748  138.523   45.673  126.967   22.838 11.55537 51.06487 
1 1 1  -11   -3   41 o  117.058   22.892  208.226   64.518   0.0000   0.0000  208.226   64.518  ?   ?   117.058   22.892 0.000000 22.89161 
1 1 1  -11   -2    1 o  518.771   16.717  3371.89  216.559  3351.86  306.163  3391.94  306.359  516.323   23.745  519.420   23.619 -3.097229 33.49184 
1 1 1  -11   -2    2 o  952.539   28.921 11446.01  687.943 11431.80  972.866 11460.22  972.930  947.001   41.139  948.201   41.090 -1.199524 58.14421 
1 1 1  -11   -2    3 o  872.553   26.492  9588.37  577.245  9804.69  816.550  9372.26  816.145  878.682   37.213  858.756   38.058 19.92572 53.22837 
1 1 1  -11   -2    4 o  399.733   13.550  1999.58  135.254  2023.59  191.294  1975.58  191.263  401.683   19.071  396.867   19.299 4.815125 27.13199 
1 1 1  -11   -2    5 o  667.954   29.156  5628.98  486.331  6117.96  689.340  5144.42  686.223  692.107   40.056  633.105   43.672 59.00226 59.25997 
1 1 1  -11   -2    6 o  223.536   13.554  627.597   75.300  681.176  108.194  577.266  104.864  232.313   18.812  213.588   19.889 18.72504 27.37627 
1 1 1  -11   -2    7 o  784.265   23.964  7734.63  469.316  7709.19  663.673  7760.08  663.755  780.152   34.066  782.758   33.957 -2.606323 48.09974 
1 1 1  -11   -2    8 o  423.346   14.284  2243.52  151.006  2289.07  213.627  2198.04  213.483  427.091   20.030  418.470   20.429 8.620117 28.61040 
1 1 1  -11   -2    9 o  666.382   20.763  5575.56  345.506  5655.04  488.742  5496.16  488.496  669.287   29.243  659.716   29.652 9.570801 41.64579 
1 1 1  -11   -2   10 o  816.028   24.972  8384.17  508.877  8559.88  719.937  8208.73  719.386  821.205   35.107  803.909   35.835 17.29492 50.16594 
1 1 1  -11   -2   11 o  468.823   17.879  2756.76  209.316  2812.41  363.763  2729.21  255.932  470.394   31.144  465.935   21.996 4.458588 38.12826 
1 1 1  -11   -2   12 o  289.156   13.037  1046.66   94.134  1006.96  164.840  1065.86  114.670  281.827   23.641  291.194   15.829 -9.367706 28.45067 
1 1 1  -11   -2   13 o  697.631   25.224  6140.95  439.424  5948.49  761.731  6236.94  537.961  677.429   45.289  701.293   30.719 -23.86407 54.72439 
1 1 1  -11   -2   14 o  460.834   31.308  2711.56  358.155   0.0000   0.0000  2711.56  358.155  ?   ?   460.834   31.308 0.000000 31.30828 
1 1 1  -11   -2   15 o  234.493   11.903  690.359   69.470  689.997  124.113  690.525   83.833  232.979   21.578  234.224   14.403 -1.244781 25.94302 
1 1 1  -11   -2   16 o  711.398   25.853  6419.22  459.272  6365.78  796.859  6445.80  562.006  695.366   46.152  710.087   31.694 -14.72046 55.98695 
1 1 1  -11   -2   17 o  506.246   19.293  3232.19  243.897  2867.93  423.646  3412.78  298.289  469.654   36.407  519.103   23.011 -49.44931 43.06911 
1 1 1  -11   -2   18 o  494.004   18.976  3081.09  234.092  3024.11  407.903  3109.07  285.851  482.456   34.076  494.917   23.129 -12.46112 41.18415 
1 1 1  -11   -2   19 o  215.140   11.654  582.373   62.376  634.084  113.368  559.922   74.699  222.774   20.612  210.529   14.293 12.24562 25.08315 
1 1 1  -11   -2   20 o  545.104   36.881  3926.30  499.080   0.0000   0.0000  3926.30  499.080  ?   ?   545.104   36.881 0.000000 36.88105 
1 1 1  -11   -2   21 o  196.220   21.915  496.599  105.549  496.599  105.549   0.0000   0.0000  196.220   21.915  ?   ?  0.000000 21.91514 
1 1 1  -11   -2   22 o  152.961   11.832  295.808   44.842  256.086   86.324  310.488   52.478  138.978   25.824  156.434   13.568 -17.45593 29.17130 
1 1 1  -11   -2   23 o  228.137   12.246  656.607   69.509  570.116  128.289  692.548   82.699  209.045   25.076  233.902   14.226 -24.85757 28.83011 
1 1 1  -11   -2   24 o  216.867   12.465  593.956   67.222  470.054  125.331  643.995   79.647  188.596   27.415  225.473   14.219 -36.87631 30.88243 
1 1 1  -11   -2   25 f  474.873   18.688  2869.68  221.613  2791.82  390.502  2906.67  269.155  457.131   34.462  475.826   22.652 -18.69565 41.23975 
1 1 1  -11   -2   26 o  412.473   29.797  2240.86  304.849   0.0000   0.0000  2240.86  304.849  ?   ?   412.473   29.797 0.000000 29.79685 
1 1 1  -11   -2   27 o  268.884   11.689  909.963   78.489  1214.94  152.304  799.680   91.587  307.768   19.924  251.078   14.671 56.69038 24.74284 
1 1 1  -11   -2   28 f  129.955   17.134  218.158   54.249  273.938   92.552  188.963   66.957  142.900   26.924  119.149   23.339 23.75006 35.63116 
1 1 1  -11   -2   29 o  127.551   17.985  211.196   55.695  166.624   95.583  234.109   68.532  110.486   32.485  133.475   21.275 -22.98871 38.83143 
1 1 1  -11   -2   30 o  353.592   29.277  1663.70  256.187  1663.70  256.187   0.0000   0.0000  353.592   29.277  ?   ?  0.000000 29.27712 
1 1 1  -11   -2   31 o  205.106   16.409  539.444   83.341  572.124  134.474  519.065  106.194  207.021   26.629  199.235   21.695 7.785522 34.34832 
1 1 1  -11   -2   32 f  287.441   17.910  1064.95  127.920  1049.47  195.517  1076.54  169.147  278.841   28.478  285.549   23.942 -6.708313 37.20532 
1 1 1  -11   -2   33 o  110.204   20.386  162.723   54.035  214.825  112.801  147.206   61.557  121.436   35.171  103.490   24.244 17.94614 42.71778 
1 1 1  -11   -2   34 o   73.448   22.710   72.348   45.883   58.844  106.128   75.453   50.884   81.490   33.176   75.188   24.010 6.301620 40.95273 
1 1 1  -11   -2   35 o   63.020   23.075   46.249   47.435   0.0000   0.0000   46.249   47.435  ?   ?    63.020   23.075 0.000000 23.07493 
1 1 1  -11   -2   36 o  101.615   21.536  143.968   52.952  189.950  123.180  133.544   58.647  109.183   37.455   96.625   24.323 12.55748 44.65972 
1 1 1  -11   -2   37 o  194.081   18.033  505.539   86.399  480.008  161.386  515.796  102.292  169.066   39.018  193.252   21.564 -24.18567 44.58075 
1 1 1  -11   -2   38 o  114.957   20.870  185.765   57.705  343.807  149.124  157.933   62.580  137.560   40.612  103.651   24.555 33.90936 47.45828 
1 1 1  -11   -2   39 o  156.832   19.434  340.758   74.482  476.126  171.949  309.492   82.636  157.950   42.612  146.276   23.412 11.67401 48.62006 
1 1 1  -11   -2   40 o  126.746   20.893  229.978   63.823  157.349  167.880  242.248   69.005   94.060   40.227  129.122   22.201 -35.06151 45.94682 
1 1 1  -11   -2   41 o  187.898   20.170  504.740   93.161  337.001  204.211  548.824  104.690  112.495   45.935  193.698   22.036 -81.20261 50.94681 
1 1 1  -11   -1    1 o  431.636   14.112  2331.96  152.108  2284.68  214.995  2379.34  215.231  426.693   20.177  435.483   19.792 -8.790741 28.26361 
1 1 1  -11   -1    2 o  559.105   16.806  3916.65  234.641  3892.13  331.711  3941.22  331.956  556.371   23.875  559.891   23.743 -3.519409 33.67083 
1 1 1  -11   -1    3 o  299.335   11.236  1120.49   83.985  1115.08  118.704  1125.91  118.843  297.948   16.013  299.402   15.953 -1.453796 22.60322 
1 1 1  -11   -1    4 o  874.533   26.773  9633.08  584.682  9690.85  826.893  9575.32  826.839  873.342   37.915  868.030   38.145 5.312500 53.78283 
1 1 1  -11   -1    5 o  630.954   28.173  5018.91  443.894  4875.68  628.020  5161.91  627.504  617.318   40.972  635.703   39.728 -18.38464 57.07020 
1 1 1  -11   -1    6 f  609.140   27.307  4675.27  415.377  4584.61  587.834  4765.68  587.030  599.019   39.519  611.075   38.669 -12.05609 55.29066 
1 1 1  -11   -1    7 o  628.921   19.145  4961.02  300.672  5016.94  425.196  4905.08  425.234  631.057   26.982  623.918   27.293 7.138977 38.37856 
1 1 1  -11   -1    8 o  796.372   24.195  7976.56  481.163  8199.98  680.784  7753.56  680.151  804.647   33.881  782.125   34.824 22.52142 48.58620 
1 1 1  -11   -1    9 o  1053.76   31.898 14044.23  839.380 14124.19  1187.16 13964.31  1186.97  1049.95   45.278  1043.84   45.536 6.111206 64.21567 
1 1 1  -11   -1   10 f  724.920   22.488  6605.12  407.087  6816.72  576.014  6393.97  575.402  734.133   31.420  710.709   32.421 23.42328 45.14816 
1 1 1  -11   -1   11 o  354.201   12.722  1569.95  112.529  1587.53  159.213  1552.40  159.067  355.333   18.002  351.344   18.192 3.989471 25.59334 
1 1 1  -11   -1   12 o  621.817   22.227  4862.63  345.140  5272.16  599.603  4659.70  422.076  642.189   37.553  607.470   27.824 34.71887 46.73749 
1 1 1  -11   -1   13 o  534.787   19.834  3593.18  264.877  3669.65  460.115  3555.28  323.937  536.032   34.558  531.110   24.424 4.921631 42.31781 
1 1 1  -11   -1   14 o  521.252   19.644  3415.44  255.702  3152.87  443.757  3545.96  312.865  495.647   36.101  530.323   23.625 -34.67560 43.14388 
1 1 1  -11   -1   15 o  706.848   45.917  6521.32  806.108   0.0000   0.0000  6521.32  806.108  ?   ?   706.848   45.917 0.000000 45.91732 
1 1 1  -11   -1   16 o  523.549   19.274  3450.75  251.991  3706.93  438.912  3324.78  307.769  537.520   32.857  512.738   24.037 24.78223 40.71027 
1 1 1  -11   -1   17 o  306.736   13.410  1180.11  102.714  1153.93  180.699  1192.62  124.844  300.836   24.260  307.599   16.311 -6.762878 29.23327 
1 1 1  -11   -1   18 o  201.797   11.520  512.046   57.813  510.246  105.052  512.827   69.241  199.741   21.394  201.639   13.835 -1.898361 25.47759 
1 1 1  -11   -1   19 o  153.181   10.971  295.632   41.688  317.401   78.709  287.145   49.147  157.065   20.561  150.649   13.197 6.416229 24.43225 
1 1 1  -11   -1   20 o  144.293   11.487  262.881   41.049  266.448   79.098  261.566   48.023  142.998   22.925  143.619   13.550 -0.6209869 26.63017 
1 1 1  -11   -1   21 o  422.878   20.875  2273.50  220.445  2170.44  315.102  2372.29  308.515  407.672   31.189  427.512   29.071 -19.83951 42.63657 
1 1 1  -11   -1   22 o  244.694   12.823  755.219   78.080  599.713  140.148  825.210   94.024  214.187   26.788  255.392   14.806 -41.20485 30.60799 
1 1 1  -11   -1   23 o  217.903   11.779  598.546   63.855  626.499  118.512  587.112   75.799  220.471   21.812  215.345   14.175 5.125153 26.01320 
1 1 1  -11   -1   24 o   91.735   12.833  107.958   28.594  142.849   66.986  100.184   31.619  103.233   25.999   87.897   14.940 15.33653 29.98602 
1 1 1  -11   -1   25 o  256.920   12.338  830.834   79.156  864.255  146.628  817.088   94.035  258.572   22.947  253.900   14.896 4.671921 27.35799 
1 1 1  -11   -1   26 o  528.495   24.652  3603.82  325.351   0.0000   0.0000  3603.82  325.351  ?   ?   528.495   24.652 0.000000 24.65244 
1 1 1  -11   -1   27 o  225.466   12.638  642.419   70.868  575.081  136.681  667.177   82.878  208.904   26.820  229.343   14.546 -20.43901 30.51082 
1 1 1  -11   -1   28 f  237.716   12.942  714.581   76.535  630.522  146.635  746.054   89.726  218.423   27.493  242.421   14.894 -23.99823 31.26797 
1 1 1  -11   -1   29 o  253.307   12.118  808.458   76.651  1026.69  152.969  735.291   88.573  281.810   21.909  240.601   14.814 41.20940 26.44734 
1 1 1  -11   -1   30 o  210.313   12.454  559.815   65.113  530.782  135.424  568.545   74.261  199.475   27.954  211.544   14.139 -12.06921 31.32669 
1 1 1  -11   -1   31 o  446.810   22.897  2592.98  254.614  2467.83  370.203  2705.31  350.743  424.892   35.208  448.809   31.495 -23.91656 47.23883 
1 1 1  -11   -1   32 o  122.774   13.223  193.003   39.902  199.915  109.111  191.936   42.872  119.103   34.619  122.171   14.324 -3.067871 37.46531 
1 1 1  -11   -1   33 o  185.502   11.684  436.935   53.846  693.113  134.771  388.275   58.737  228.333   23.995  174.299   13.603 54.03372 27.58256 
1 1 1  -11   -1   34 o  109.795   20.820  162.462   54.995  194.832  114.299  152.711   62.734  115.391   35.871  105.176   24.364 10.21494 43.36268 
1 1 1  -11   -1   35 o  153.133   18.513  310.223   69.356  223.914  131.708  343.340   81.584  120.532   38.643  160.012   20.918 -39.48003 43.94122 
1 1 1  -11   -1   36 o  166.586   21.454  377.032   87.172   0.0000   0.0000  377.032   87.172  ?   ?   166.586   21.454 0.000000 21.45369 
1 1 1  -11   -1   37 o   97.554   22.676  134.848   54.193 -20.1208  127.797  168.825   59.839   71.547   32.566  109.450   22.641 -37.90327 39.66279 
1 1 1  -11   -1   38 o  125.871   20.474  219.729   62.141  172.738  142.685  230.728   69.032  102.422   39.474  127.816   22.447 -25.39434 45.40974 
1 1 1  -11   -1   39 o   56.048   21.733   33.384   43.458   23.127  141.992   34.445   45.649   77.502   34.893   57.073   22.234 20.42913 41.37531 
1 1 1  -11   -1   40 o   65.081   23.138   57.285   47.270  321.963  161.192   32.382   49.443  125.797   42.849   57.124   22.861 68.67281 48.56630 
1 1 1  -11   -1   41 o  134.814   22.692  266.720   73.681   0.0000   0.0000  266.720   73.681  ?   ?   134.814   22.692 0.000000 22.69222 
1 1 1  -11   -1   42 o  125.269   21.639  231.855   65.242  401.778  203.299  212.346   68.885  120.286   46.905  117.425   24.293 2.861626 52.82247 
1 1 1  -11    0    1 f  944.477   28.616 11249.84  674.908 10891.25  953.951 11609.20  954.978  924.321   41.329  954.899   40.048 -30.57794 57.54944 
1 1 1  -11    0    2 o  977.369   29.342 12053.03  716.150 11844.76  1012.48 12261.54  1013.09  963.588   42.077  980.743   41.366 -17.15540 59.00540 
1 1 1  -11    0    3 o  1066.50   30.576 14364.08  814.307 14285.79  1151.52 14442.39  1151.69  1057.43   43.608  1063.34   43.372 -5.910278 61.50461 
1 1 1  -11    0    4 o  930.870   28.418 10925.83  660.581 10826.45  934.050 11025.28  934.356  921.971   40.570  930.562   40.208 -8.590088 57.11931 
1 1 1  -11    0    5 o  444.001   20.930  2474.58  232.063  2415.26  328.576  2533.62  327.799  436.356   30.343  447.151   29.523 -10.79468 42.33511 
1 1 1  -11    0    6 o  1044.70   45.314 13968.58  1182.14 14628.04  1673.22 13311.35  1670.39  1054.83   63.822  1003.48   67.045 51.34924 92.56443 
1 1 1  -11    0    7 o  300.908   16.029  1137.30  120.011  1128.88  170.766  1145.52  168.697  298.840   23.061  301.120   22.599 -2.280243 32.28857 
1 1 1  -11    0    8 o  623.911   18.997  4882.07  295.972  5066.17  418.833  4698.44  418.303  634.243   26.444  610.591   27.434 23.65234 38.10427 
1 1 1  -11    0    9 o  217.223   9.6714  589.852   52.462  655.190   74.482  525.519   73.907  228.451   13.111  204.367   14.577 24.08388 19.60592 
1 1 1  -11    0   10 o  779.327   24.040  7640.15  467.839  7861.26  661.924  7419.45  661.326  787.718   33.650  764.938   34.621 22.77948 48.27979 
1 1 1  -11    0   11 o  1160.74   35.189 17103.45  1019.97 17182.67  1442.53 17024.24  1442.39  1153.76   50.068  1148.25   50.303 5.508423 70.97309 
1 1 1  -11    0   12 o  477.183   15.172  2852.41  180.795  2806.35  255.613  2898.52  255.753  472.513   21.663  480.259   21.325 -7.745667 30.39815 
1 1 1  -11    0   13 o  959.941   29.205 11655.71  700.095 11798.16  990.305 11513.38  989.861  959.616   41.326  947.669   41.828 11.94714 58.79969 
1 1 1  -11    0   14 o  576.721   21.370  4184.79  307.768  3981.14  533.865  4286.15  376.657  556.480   38.658  582.627   25.888 -26.14679 46.52541 
1 1 1  -11    0   15 o  325.720   24.537  1347.00  198.111   0.0000   0.0000  1347.00  198.111  ?   ?   325.720   24.537 0.000000 24.53659 
1 1 1  -11    0   16 o  356.405   26.027  1616.91  230.045   0.0000   0.0000  1616.91  230.045  ?   ?   356.405   26.027 0.000000 26.02741 
1 1 1  -11    0   17 o  388.716   15.817  1897.94  153.537  1809.26  267.712  1941.40  187.424  375.928   28.735  392.603   19.117 -16.67471 34.51344 
1 1 1  -11    0   18 o  216.688   9.6436  587.744   52.182  852.770   97.561  481.543   61.759  260.105   15.085  195.546   12.716 64.55922 19.72988 
1 1 1  -11    0   19 o  174.078   13.701  382.891   59.077   0.0000   0.0000  382.891   59.077  ?   ?   174.078   13.701 0.000000 13.70088 
1 1 1  -11    0   20 o  289.417   16.792  1059.73  120.837  837.516  173.578  1268.69  168.322  254.149   27.803  315.496   21.493 -61.34636 35.14208 
1 1 1  -11    0   21 o  152.557   11.490  293.747   43.452  208.540   81.935  327.087   51.252  125.164   27.007  160.820   12.870 -35.65574 29.91658 
1 1 1  -11    0   22 o  321.948   15.311  1307.40  123.097  1674.57  181.429  994.201  167.567  362.502   20.121  277.605   24.420 84.89731 31.64199 
1 1 1  -11    0   23 f  390.221   15.692  1923.16  152.911  1995.91  269.610  1888.67  185.660  391.957   27.724  385.102   19.368 6.854919 33.81926 
1 1 1  -11    0   24 o  262.863   12.243  869.110   80.365  945.564  147.955  837.113   95.716  271.135   22.043  257.091   14.974 14.04349 26.64781 
1 1 1  -11    0   25 o  422.369   16.808  2259.79  177.285  2312.87  313.100  2234.74  215.086  419.823   30.064  418.530   20.580 1.293060 36.43319 
1 1 1  -11    0   26 o  222.322   12.170  623.826   67.311  645.029  128.001  615.722   79.137  222.972   23.334  220.384   14.460 2.587601 27.45127 
1 1 1  -11    0   27 o  454.059   32.238  2732.06  363.164   0.0000   0.0000  2732.06  363.164  ?   ?   454.059   32.238 0.000000 32.23829 
1 1 1  -11    0   28 o  294.588   12.232  1092.78   89.987  1382.61  171.719  983.050  105.656  328.023   21.075  278.355   15.258 49.66827 26.01859 
1 1 1  -11    0   29 o  464.681   17.677  2746.21  205.126  2943.72  365.978  2655.75  247.688  471.166   31.283  454.799   21.809 16.36682 38.13459 
1 1 1  -11    0   30 o  250.446   12.752  793.153   79.488  892.364  157.328  759.147   92.109  261.489   24.374  244.364   15.169 17.12561 28.70925 
1 1 1  -11    0   31 o  448.960   17.651  2569.97  197.894  2703.66  356.707  2510.52  237.855  449.063   32.019  441.484   21.575 7.579041 38.60941 
1 1 1  -11    0   32 o  190.569   16.672  466.278   78.542  303.102  135.273  549.265   96.469  145.715   37.083  206.156   18.951 -60.44046 41.64447 
1 1 1  -11    0   33 o  302.054   13.637  1157.72  102.858  1324.25  202.839  1100.08  119.340  315.607   25.967  292.980   16.377 22.62671 30.70032 
1 1 1  -11    0   34 o  113.733   13.346  166.609   37.183  289.920  117.919  152.995   39.182  141.735   33.792  108.524   14.847 33.21127 36.91039 
1 1 1  -11    0   35 o  223.108   13.690  638.152   75.905  462.253  163.926  686.160   85.640  174.579   38.625  230.813   14.938 -56.23364 41.41273 
1 1 1  -11    0   36 o  272.948   12.952  953.264   88.281  1204.65  195.447  888.831   98.950  294.461   26.876  261.985   15.190 32.47614 30.87151 
1 1 1  -11    0   37 o  124.922   23.479  218.680   70.553   0.0000   0.0000  218.680   70.553  ?   ?   124.922   23.479 0.000000 23.47862 
1 1 1  -11    0   38 o   59.488   16.946   48.043   26.391   84.225  132.503   46.549   26.931   86.890   36.380   58.664   17.241 28.22578 40.25864 
1 1 1  -11    0   39 o  188.919   12.255  462.377   57.503  813.159  176.247  420.589   60.832  230.099   31.500  179.343   13.686 50.75534 34.34494 
1 1 1  -11    0   40 o   73.253   16.776   74.212   30.028  178.496  154.944   70.143   30.608  100.840   40.429   70.994   17.400 29.84600 44.01470 
1 1 1  -11    0   41 o  281.792   14.413  1052.06  101.086  1487.41  253.431  969.697  110.234  297.867   34.723  268.077   16.548 29.79034 38.46419 
1 1 1  -11    0   42 o  199.044   13.734  526.976   67.845  440.498  213.556  536.684   71.552  128.135   48.555  200.270   14.403 -72.13496 50.64617 
1 1 1  -11    1    1 o  235.868   9.6916  695.437   57.084  689.944   80.551  700.979   80.910  234.390   13.823  236.268   13.773 -1.878479 19.51349 
1 1 1  -11    1    2 o  237.968   9.9479  707.919   59.115  712.535   83.486  703.278   83.717  238.183   14.099  236.612   14.235 1.570999 20.03539 
1 1 1  -11    1    3 o  657.636   20.023  5426.39  328.823  5325.27  464.816  5527.69  465.237  649.827   28.644  662.177   28.135 -12.35077 40.15049 
1 1 1  -11    1    4 o  603.724   26.787  4590.67  403.840  4922.52  572.144  4261.20  570.095  621.674   37.022  577.362   39.784 44.31165 54.34524 
1 1 1  -11    1    5 o  234.207   13.977  688.949   81.371  717.206  115.983  661.558  114.191  238.308   19.665  228.737   20.199 9.570816 28.19084 
1 1 1  -11    1    6 o  681.521   30.018  5863.01  510.867  6144.92  723.471  5582.64  721.483  692.932   42.008  659.544   44.059 33.38800 60.87630 
1 1 1  -11    1    7 o  280.555   10.809  984.187   75.730  1046.66  107.173  921.886  107.024  288.754   14.914  270.843   15.894 17.91043 21.79516 
1 1 1  -11    1    8 o  610.551   18.931  4675.02  288.638  4739.02  408.289  4611.07  408.103  613.389   26.655  604.981   27.013 8.408264 37.95015 
1 1 1  -11    1    9 o  774.369   23.237  7537.89  449.349  7676.40  635.661  7399.55  635.291  778.891   32.681  764.531   33.276 14.35999 46.64050 
1 1 1  -11    1   10 o  528.162   17.054  3496.05  224.933  3556.37  318.238  3435.83  317.969  531.733   23.967  522.580   24.366 9.153320 34.17738 
1 1 1  -11    1   11 o  298.840   10.454  1116.68   78.011  1210.62  110.474  1023.25  110.176  310.963   14.227  285.396   15.518 25.56656 21.05208 
1 1 1  -11    1   12 o  713.243   22.151  6395.46  394.531  6453.57  558.002  6337.38  557.900  714.051   31.294  707.506   31.577 6.544739 44.45695 
1 1 1  -11    1   13 o  555.029   17.442  3863.90  241.754  3862.17  341.894  3865.64  341.890  553.637   24.730  553.888   24.718 -0.2514038 34.96468 
1 1 1  -11    1   14 o  322.775   12.119  1303.95   97.684  1381.86  138.294  1226.38  137.998  331.498   16.760  312.098   17.780 19.39978 24.43439 
1 1 1  -11    1   15 o  493.319   18.796  3058.15  231.548  3013.80  402.554  3080.07  283.062  485.314   33.420  494.315   22.931 -9.000092 40.53063 
1 1 1  -11    1   16 o  225.403   20.777  645.218  115.633   0.0000   0.0000  645.218  115.633  ?   ?   225.403   20.777 0.000000 20.77731 
1 1 1  -11    1   17 o  375.114   15.485  1766.57  145.048  1630.81  252.937  1833.08  177.053  356.982   28.614  381.652   18.577 -24.66989 34.11588 
1 1 1  -11    1   18 o  418.338   15.943  2199.58  166.556  2424.52  291.709  2090.78  202.876  435.775   26.938  407.103   19.956 28.67203 33.52497 
1 1 1  -11    1   19 o  113.448   23.743  169.282   65.104  169.282   65.104   0.0000   0.0000  113.448   23.743  ?   ?  0.000000 23.74289 
1 1 1  -11    1   20 o  442.114   16.748  2463.66  184.910  2567.14  323.205  2413.30  225.453  446.206   29.167  436.500   20.683 9.706055 35.75609 
1 1 1  -11    1   21 o  136.316   10.949  234.551   36.956  306.029   73.493  210.361   42.755  154.276   19.513  128.663   13.509 25.61313 23.73252 
1 1 1  -11    1   22 o  214.772   13.086  582.174   69.851  775.670  107.864  442.420   91.669  247.047   17.599  185.645   20.094 61.40213 26.71171 
1 1 1  -11    1   23 o  326.741   13.840  1344.54  112.926  1407.31  200.488  1315.37  136.667  330.449   24.470  322.029   17.056 8.420563 29.82734 
1 1 1  -11    1   24 o  107.551   12.513  147.424   32.978  113.421   70.272  157.028   37.346   92.985   27.979  110.812   13.795 -17.82684 31.19504 
1 1 1  -11    1   25 o  230.175   11.982  668.017   68.633  688.342  127.776  659.776   81.367  230.905   22.443  228.266   14.347 2.639130 26.63739 
1 1 1  -11    1   26 o  158.452   12.415  317.880   48.733  156.093   95.000  375.659   56.772  108.046   32.536  172.166   13.308 -64.11956 35.15283 
1 1 1  -11    1   27 o  120.937   12.110  185.839   36.081  184.653   82.266  186.122   40.149  116.876   28.454  120.768   13.546 -3.891991 31.51383 
1 1 1  -11    1   28 o  272.118   23.136  958.023  155.725   0.0000   0.0000  958.023  155.725  ?   ?   272.118   23.136 0.000000 23.13602 
1 1 1  -11    1   29 o  167.101   11.595  352.979   48.083  439.856  107.611  331.306   53.747  183.250   24.100  161.516   13.448 21.73459 27.59855 
1 1 1  -11    1   30 o  256.842   13.159  834.403   84.119  756.066  161.526  863.555   98.535  239.301   27.532  260.747   15.199 -21.44624 31.44844 
1 1 1  -11    1   31 o  395.671   16.180  1987.74  159.868  2114.07  290.844  1933.05  191.372  399.631   29.349  388.120   19.811 11.51157 35.40999 
1 1 1  -11    1   32 o  163.519   11.985  339.008   48.598  424.444  118.524  321.742   53.283  177.890   27.573  158.937   13.554 18.95328 30.72490 
1 1 1  -11    1   33 o  260.532   15.671  867.247  101.481  1116.83  170.698  730.813  126.207  291.736   23.634  236.642   21.595 55.09451 32.01410 
1 1 1  -11    1   34 o  118.855   13.646  181.728   39.767  192.674  114.238  180.218   42.420  116.149   35.821  118.077   14.705 -1.928352 38.72189 
1 1 1  -11    1   35 o  279.130   14.452  998.285  100.392  826.572  200.221  1055.95  116.032  240.305   34.342  286.112   16.308 -45.80704 38.01741 
1 1 1  -11    1   36 o  245.608   13.153  772.807   80.376  874.185  178.761  747.117   89.986  249.488   29.248  240.536   15.057 8.951447 32.89591 
1 1 1  -11    1   37 o  357.427   14.781  1651.03  131.927  1984.58  266.650  1542.92  151.809  373.931   28.777  342.529   17.809 31.40262 33.84230 
1 1 1  -11    1   38 o   60.444   22.713   41.262   46.503   57.247  133.789   39.065   49.595   83.627   35.842   60.578   23.293 23.04923 42.74567 
1 1 1  -11    1   39 o  162.315   13.871  344.435   55.684 -13.9564  154.413  398.009   59.701   77.041   35.342  174.593   13.806 -97.55193 37.94259 
1 1 1  -11    1   40 o  163.971   13.483  351.950   54.720  137.539  171.053  376.394   57.755   96.373   40.893  169.436   13.769 -73.06335 43.14867 
1 1 1  -11    1   41 o   96.775   41.044  157.241  172.193  157.241  172.193   0.0000   0.0000   96.775   41.044  ?   ?  0.000000 41.04429 
1 1 1  -11    1   42 o  123.991   13.436  204.252   40.936  749.166  195.685  179.313   41.863  200.444   40.488  115.322   14.884 85.12229 43.13737 
1 1 1  -11    1   43 o   92.010   15.334  116.523   33.991   95.963  196.100  117.160   34.514   84.626   39.181   92.146   15.553 -7.519081 42.15507 
1 1 1  -11    2    1 o  643.964   28.493  5229.48  458.192  5515.83  648.810  4944.60  647.155  657.175   39.722  621.281   41.959 35.89453 57.77867 
1 1 1  -11    2    2 o  519.727   23.769  3396.02  308.482  3291.64  436.361  3500.31  436.159  508.611   34.562  524.862   33.452 -16.25034 48.09898 
1 1 1  -11    2    3 o  569.508   25.225  4081.21  358.735  4524.63  508.545  3642.02  506.119  596.763   34.269  534.043   38.204 62.72021 51.32133 
1 1 1  -11    2    4 f  1564.42   69.395 32356.11  2711.03 31313.49  3832.56 33400.29  3835.41  1486.38  103.908  1541.69  100.167 -55.30554 144.3271 
1 1 1  -11    2    5 o  567.054   25.582  4046.91  362.249  4102.17  512.875  3991.90  511.722  567.513   36.381  559.670   36.820 7.843689 51.76201 
1 1 1  -11    2    6 o  274.556   15.227  946.750  103.989  934.423  147.840  958.822  146.297  271.895   21.962  275.523   21.432 -3.628387 30.68596 
1 1 1  -11    2    7 o  434.017   14.549  2358.09  157.685  2417.38  222.991  2298.80  223.010  438.896   20.346  427.940   20.869 10.95636 29.14526 
1 1 1  -11    2    8 o  339.856   12.109  1444.76  102.766  1451.18  145.294  1438.34  145.373  339.868   17.175  338.347   17.263 1.520752 24.35143 
1 1 1  -11    2    9 o  476.787   14.668  2846.05  174.638  2870.78  247.012  2821.33  246.940  478.218   20.684  474.059   20.860 4.158661 29.37629 
1 1 1  -11    2   10 o  631.561   19.810  5005.38  312.424  5132.55  441.950  4878.33  441.720  637.997   27.740  621.839   28.446 16.15833 39.73240 
1 1 1  -11    2   11 o  439.554   14.633  2419.24  160.614  2524.57  227.336  2314.27  226.949  448.433   20.301  429.246   21.172 19.18622 29.33270 
1 1 1  -11    2   12 o  873.336   26.159  9613.94  570.506  9746.93  807.001  9481.07  806.633  875.268   36.922  863.026   37.428 12.24176 52.57475 
1 1 1  -11    2   13 o  690.012   21.580  5985.75  371.840  6042.50  525.952  5929.04  525.769  690.924   30.484  684.319   30.767 6.604309 43.31115 
1 1 1  -11    2   14 o  554.692   17.386  3860.37  240.823  3813.51  340.425  3907.31  340.726  549.944   24.789  556.728   24.508 -6.783813 34.85866 
1 1 1  -11    2   15 o  895.606   27.495 10149.63  614.935 10139.67  869.623 10159.59  869.675  889.122   39.167  890.017   39.130 -0.8955078 55.36417 
1 1 1  -11    2   16 o  630.225   41.205  5145.78  644.907   0.0000   0.0000  5145.78  644.907  ?   ?   630.225   41.205 0.000000 41.20483 
1 1 1  -11    2   17 o  242.013   21.373  744.308  127.841   0.0000   0.0000  744.308  127.841  ?   ?   242.013   21.373 0.000000 21.37309 
1 1 1  -11    2   18 o  436.801   21.003  2408.70  229.089   0.0000   0.0000  2408.70  229.089  ?   ?   436.801   21.003 0.000000 21.00251 
1 1 1  -11    2   19 f  417.447   16.473  2192.65  171.717  2310.90  300.402  2135.25  209.279  424.431   28.508  411.110   20.385 13.32147 35.04696 
1 1 1  -11    2   20 o  439.138   17.199  2430.92  188.605  2404.62  329.084  2443.79  230.155  431.285   30.757  439.281   20.981 -7.996094 37.23190 
1 1 1  -11    2   21 o  223.678   11.018  627.460   61.544  773.314  113.469  566.668   73.256  246.651   18.558  211.840   13.925 34.81046 23.20192 
1 1 1  -11    2   22 o  152.406   11.997  293.478   45.288  193.514   85.928  331.927   53.291  120.156   28.975  161.935   13.296 -41.77937 31.87946 
1 1 1  -11    2   23 o  440.385   20.410  2465.74  224.450  2731.26  322.546  2216.46  312.531  458.944   28.281  411.959   30.599 46.98502 41.66671 
1 1 1  -11    2   24 o  319.224   13.702  1283.46  109.229  1369.26  195.094  1244.28  131.827  325.952   24.140  313.167   16.920 12.78549 29.47916 
1 1 1  -11    2   25 o  152.803   11.193  294.849   42.413  404.084   87.211  261.012   48.539  177.104   20.074  143.288   13.734 33.81508 24.32232 
1 1 1  -11    2   26 o  401.304   15.534  2035.33  155.673  2264.87  277.053  1929.42  188.190  417.680   26.702  389.430   19.352 28.25006 32.97703 
1 1 1  -11    2   27 o  131.489   12.025  219.273   39.047  223.153   84.753  218.228   43.994  128.993   27.169  130.878   13.662 -1.885559 30.41080 
1 1 1  -11    2   28 o  141.129   11.324  251.974   39.571  375.333   90.367  222.708   44.016  169.948   21.796  132.238   13.519 37.70938 25.64787 
1 1 1  -11    2   29 o  215.262   21.641  599.105  114.757   0.0000   0.0000  599.105  114.757  ?   ?   215.262   21.641 0.000000 21.64132 
1 1 1  -11    2   30 o  163.380   12.277  338.063   49.721  355.366  108.822  333.498   55.896  163.120   27.706  161.933   13.959 1.186981 31.02419 
1 1 1  -11    2   31 o  236.811   13.140  709.782   77.399  686.916  154.648  717.423   89.401  227.754   27.766  237.564   15.149 -9.809708 31.62964 
1 1 1  -11    2   32 o  147.339   12.653  275.919   46.103  385.162  115.965  255.411   50.244  169.148   28.465  141.333   14.439 27.81483 31.91774 
1 1 1  -11    2   33 o  181.049   11.511  414.985   51.770  707.316  129.219  359.090   56.503  232.631   22.526  167.891   13.594 64.73993 26.30978 
1 1 1  -11    2   34 o  138.781   17.018  249.984   57.743  101.152  118.359  296.472   66.149   94.688   36.083  151.016   17.889 -56.32829 40.27432 
1 1 1  -11    2   35 o  192.373   12.641  471.696   60.388  374.576  142.458  492.970   66.675  159.911   36.481  196.341   13.684 -36.42973 38.96329 
1 1 1  -11    2   36 o  337.180   13.722  1452.72  115.538  1991.40  236.402  1283.67  132.432  384.381   24.760  314.690   16.914 69.69064 29.98608 
1 1 1  -11    2   37 o  181.078   11.533  419.027   51.878  847.588  152.062  362.576   55.189  248.574   24.829  167.752   13.283 80.82214 28.15916 
1 1 1  -11    2   38 o  134.022   13.254  233.115   43.776  189.875  145.844  237.396   45.892  109.452   40.400  135.046   13.802 -25.59342 42.69308 
1 1 1  -11    2   39 o  171.168   13.271  380.544   56.283  328.652  162.202  387.647   60.012  135.370   42.829  172.361   14.065 -36.99170 45.07945 
1 1 1  -11    2   40 o  119.302   14.099  187.634   41.190   0.0000   0.0000  187.634   41.190  ?   ?   119.302   14.099 0.000000 14.09852 
1 1 1  -11    2   41 o  170.633   13.229  381.030   55.927  342.108  182.937  385.043   58.740  128.698   45.543  171.153   13.863 -42.45509 47.60644 
1 1 1  -11    2   42 o   94.502   18.379  125.063   41.810  407.557  181.539  109.240   42.965  137.654   45.456   87.299   20.121 50.35588 49.71021 
1 1 1  -11    2   43 o  118.534   14.357  189.037   41.630  271.920  197.844  185.198   42.583  106.535   44.516  116.986   14.916 -10.45139 46.94872 
1 1 1  -11    3    1 o  870.992   37.918  9641.25  824.719 10046.65  1167.25  9237.12  1165.41  880.148   53.360  842.407   55.714 37.74097 77.14484 
1 1 1  -11    3    2 o  788.761   34.603  7882.96  681.566  7907.47  964.386  7858.49  963.375  782.571   49.605  780.081   49.713 2.490784 70.22894 
1 1 1  -11    3    3 o  281.300   15.403  993.836  107.791  995.039  152.973  992.649  151.910  280.616   22.006  280.298   21.876 0.3179626 31.02966 
1 1 1  -11    3    4 o  534.660   24.185  3594.90  322.906  3194.96  456.236  3996.32  457.081  500.429   36.766  561.135   32.762 -60.70587 49.24508 
1 1 1  -11    3    5 f  436.444   20.618  2390.78  224.706  2193.92  317.754  2587.71  317.811  415.656   30.833  452.172   28.288 -36.51532 41.84359 
1 1 1  -11    3    6 o  524.778   16.864  3450.55  220.997  3473.96  312.466  3427.11  312.608  525.646   23.805  522.063   23.979 3.583069 33.78808 
1 1 1  -11    3    7 o  363.162   12.777  1650.05  115.871  1688.67  163.869  1611.43  163.864  367.034   17.879  358.035   18.390 8.998627 25.64833 
1 1 1  -11    3    8 o  195.247   9.4350  476.511   46.002  517.361   65.039  435.615   65.075  202.939   12.901  186.022   14.114 16.91675 19.12160 
1 1 1  -11    3    9 o  283.035   10.933  1001.74   77.274  987.539  109.177  1016.00  109.386  280.365   15.657  284.411   15.460 -4.045471 22.00287 
1 1 1  -11    3   10 o  474.065   15.602  2814.90  184.703  2833.19  261.129  2796.58  261.291  474.864   22.021  471.765   22.179 3.099213 31.25442 
1 1 1  -11    3   11 o  628.998   19.773  4965.71  310.586  4905.90  439.046  5025.62  439.425  623.528   28.197  631.165   27.880 -7.636780 39.65301 
1 1 1  -11    3   12 o  685.684   20.833  5905.98  356.724  5830.23  504.328  5981.83  504.640  679.154   29.737  688.029   29.371 -8.875610 41.79661 
1 1 1  -11    3   13 o  712.712   22.178  6388.53  394.712  6498.59  558.294  6278.53  558.121  716.290   31.212  703.883   31.752 12.40680 44.52432 
1 1 1  -11    3   14 o  416.849   14.040  2176.44  146.152  2219.00  206.731  2133.90  206.649  420.266   19.698  412.079   20.082 8.187378 28.13013 
1 1 1  -11    3   15 o  248.985   10.442  775.534   64.923  841.031   92.010  710.591   91.620  258.678   14.299  237.555   15.530 21.12268 21.11044 
1 1 1  -11    3   16 o  516.920   16.230  3353.52  209.504  3327.84  296.309  3379.20  296.258  513.586   23.104  517.576   22.922 -3.990234 32.54508 
1 1 1  -11    3   17 o  311.285   24.092  1232.23  185.816   0.0000   0.0000  1232.23  185.816  ?   ?   311.285   24.092 0.000000 24.09187 
1 1 1  -11    3   18 o  209.689   21.326  560.665  110.115  560.665  110.115   0.0000   0.0000  209.689   21.326  ?   ?  0.000000 21.32589 
1 1 1  -11    3   19 f  612.391   21.949  4745.14  335.650  5106.29  584.151  4567.14  410.111  626.386   37.518  598.576   27.437 27.80994 46.47953 
1 1 1  -11    3   20 o  417.748   16.680  2198.05  174.007  2167.62  303.683  2212.93  212.316  409.944   29.871  418.280   20.327 -8.335144 36.13060 
1 1 1  -11    3   21 o  136.990   11.632  237.109   39.417  159.689   75.275  266.357   46.267  109.533   27.547  145.066   12.907 -35.53265 30.42074 
1 1 1  -11    3   22 o  332.931   13.877  1394.46  115.374  1511.52  204.612  1339.89  139.702  343.280   24.020  325.243   17.262 18.03680 29.57972 
1 1 1  -11    3   23 o  163.848   11.207  338.548   45.578  406.622   87.943  313.548   53.294  177.846   20.158  157.255   13.709 20.59111 24.37749 
1 1 1  -11    3   24 o  250.708   15.732  796.625   97.995  702.322  144.479  876.971  133.359  232.569   25.285  261.759   20.568 -29.18956 32.59346 
1 1 1  -11    3   25 o  285.089   13.223  1023.25   94.139  1034.92  169.678  1018.05  113.151  283.022   24.242  283.375   16.056 -0.3530884 29.07692 
1 1 1  -11    3   26 o  110.340   12.666  155.181   34.268  114.290   75.455  165.807   38.464   93.686   29.148  113.892   13.806 -20.20629 32.25286 
1 1 1  -11    3   27 o  308.815   13.473  1201.79  103.901  1248.79  188.880  1181.39  124.416  310.628   24.550  305.092   16.390 5.536072 29.51847 
1 1 1  -11    3   28 o  280.241   12.521  988.642   87.624  1104.61  163.952  942.273  103.673  292.738   22.603  272.633   15.289 20.10519 27.28848 
1 1 1  -11    3   29 o  210.069   12.182  557.248   63.632  543.844  125.930  561.843   73.738  203.807   25.287  210.536   14.107 -6.729340 28.95538 
1 1 1  -11    3   30 o  436.486   31.469  2522.85  340.708   0.0000   0.0000  2522.85  340.708  ?   ?   436.486   31.469 0.000000 31.46910 
1 1 1  -11    3   31 o  347.976   14.546  1530.99  126.403  1631.89  233.724  1489.28  150.277  353.205   26.696  341.762   17.669 11.44318 32.01328 
1 1 1  -11    3   32 o  265.924   12.418  891.700   82.467  1153.67  166.449  806.474   94.938  298.390   22.504  251.856   15.166 46.53325 27.13700 
1 1 1  -11    3   33 o  178.980   12.566  406.394   55.807  406.879  127.741  406.280   62.040  172.678   30.751  178.609   14.022 -5.930542 33.79726 
1 1 1  -11    3   34 o  107.785   14.108  149.799   37.061  163.032  108.520  148.052   39.432  108.934   35.093  106.877   15.203 2.056580 38.24423 
1 1 1  -11    3   35 o  286.260   16.734  1054.24  119.104  1251.72  195.702  938.070  150.105  305.967   25.856  266.649   22.761 39.31863 34.44645 
1 1 1  -11    3   36 o  133.737   13.216  229.880   43.561  170.376  124.936  238.114   46.477  109.304   37.708  135.935   13.887 -26.63170 40.18411 
1 1 1  -11    3   37 o  105.865   13.734  145.730   35.452  266.121  129.895  136.040   36.851  131.267   37.663  101.864   14.930 29.40244 40.51395 
1 1 1  -11    3   38 f   87.565   14.841  101.570   31.294  186.208  130.087   96.371   32.241  109.588   38.440   84.947   15.780 24.64109 41.55235 
1 1 1  -11    3   39 o  124.197   14.296  202.186   43.529   0.0000   0.0000  202.186   43.529  ?   ?   124.197   14.296 0.000000 14.29605 
1 1 1  -11    3   40 o  118.578   24.486  202.462   70.103   10.512  156.685  250.504   78.386   80.324   36.363  132.112   24.667 -51.78825 43.94028 
1 1 1  -11    3   41 o  184.999   13.070  446.000   59.991  624.606  187.518  425.635   63.319  188.930   40.929  180.033   14.199 8.897308 43.32225 
1 1 1  -11    3   42 o   83.246   16.330   95.104   32.735  345.179  175.832   86.125   33.317  128.838   44.718   78.689   17.416 50.14931 47.98986 
1 1 1  -11    3   43 o  190.648   18.096  500.779   85.120  604.068  217.003  481.997   92.536  161.402   49.303  184.741   20.399 -23.33836 53.35604 
1 1 1  -11    4    1 o  236.640   10.063  700.090   59.464  702.624   83.809  697.521   84.385  236.488   14.258  235.609   14.412 0.8793945 20.27296 
1 1 1  -11    4    2 o  380.397   12.965  1810.56  123.159  1979.56  174.330  1642.15  174.016  397.405   17.567  361.296   19.358 36.10898 26.14027 
1 1 1  -11    4    3 o  191.350   9.3320  457.666   44.592  486.999   63.023  428.260   63.101  196.870   12.891  184.469   13.798 12.40117 18.88267 
1 1 1  -11    4    4 o  315.570   11.713  1245.53   92.302  1293.85  130.432  1197.06  130.638  320.964   16.327  308.612   17.017 12.35181 23.58306 
1 1 1  -11    4    5 o  241.236   10.093  727.539   60.802  752.042   85.975  703.022   85.998  244.711   14.129  236.522   14.632 8.188599 20.34039 
1 1 1  -11    4    6 o  916.755   28.024 10596.43  641.555 10531.97  907.148 10660.93  907.442  909.424   39.945  915.079   39.711 -5.655151 56.32540 
1 1 1  -11    4    7 o  339.254   12.211  1439.73  103.449  1453.82  146.220  1425.61  146.378  340.160   17.270  336.811   17.464 3.349396 24.56086 
1 1 1  -11    4    8 o  361.120   12.587  1631.53  113.508  1595.25  160.346  1667.97  160.704  356.251   18.083  364.780   17.642 -8.528625 25.26346 
1 1 1  -11    4    9 o  351.247   12.541  1543.55  110.003  1564.04  155.453  1523.01  155.682  353.223   17.624  348.073   17.972 5.149658 25.17138 
1 1 1  -11    4   10 o  155.931   8.1872  304.692   31.769  279.649   44.504  330.712   45.363  149.029   12.062  162.223   11.268 -13.19424 16.50629 
1 1 1  -11    4   11 o  410.457   13.842  2109.01  141.878  2021.83  200.313  2196.77  200.981  401.321   19.988  418.406   19.236 -17.08527 27.74034 
1 1 1  -11    4   12 o  499.967   16.302  3132.81  203.536  3101.84  287.691  3163.84  287.995  496.537   23.202  501.509   22.996 -4.971436 32.66731 
1 1 1  -11    4   13 o  256.569   10.306  823.224   66.030  833.836   93.335  812.592   93.426  257.606   14.569  254.268   14.778 3.337662 20.75156 
1 1 1  -11    4   14 o  614.592   19.495  4745.12  299.206  4829.61  423.210  4660.68  423.073  618.203   27.414  607.164   27.903 11.03882 39.11695 
1 1 1  -11    4   15 o  412.420   14.207  2131.31  146.320  2250.82  207.180  2012.38  206.678  423.145   19.607  399.409   20.794 23.73636 28.57972 
1 1 1  -11    4   16 o  469.368   14.501  2762.04  169.961  2733.15  240.312  2790.94  240.410  465.926   20.654  470.865   20.446 -4.939026 29.06244 
1 1 1  -11    4   17 o  230.344   13.495  667.356   77.289  534.270  105.073  824.261  114.089  204.867   20.828  255.416   18.002 -50.54906 27.52988 
1 1 1  -11    4   18 f  213.287   14.067  573.184   74.501  578.059  101.444  567.477  109.770  213.363   19.247  211.028   21.113 2.335236 28.56948 
1 1 1  -11    4   19 o  418.881   16.138  2206.40  168.803  2454.26  295.655  2086.53  205.609  438.165   27.154  406.517   20.254 31.64813 33.87614 
1 1 1  -11    4   20 o  610.881   22.579  4732.83  344.443  4718.27  598.519  4740.05  421.178  598.760   40.263  608.968   27.696 -10.20758 48.86913 
1 1 1  -11    4   21 o   96.763   12.632  119.513   29.796  111.506   61.653  121.953   34.034   92.116   25.783   97.449   14.421 -5.332611 29.54240 
1 1 1  -11    4   22 o  241.805   12.874  736.741   77.459  566.427  137.964  815.142   93.605  208.460   27.147  254.016   14.821 -45.55568 30.92911 
1 1 1  -11    4   23 o  196.664   12.045  487.633   58.866  413.634  108.156  518.781   70.170  178.099   25.008  202.543   13.959 -24.44336 28.63974 
1 1 1  -11    4   24 o  381.942   20.090  1859.03  190.938  1578.36  273.448  2126.08  266.731  346.473   31.965  405.574   26.482 -59.10110 41.50980 
1 1 1  -11    4   25 o  351.711   18.014  1571.83  157.688  1641.43  228.889  1508.95  217.551  356.181   25.911  341.534   25.696 14.64767 36.49244 
1 1 1  -11    4   26 o  101.626   12.617  131.895   31.331  155.224   72.100  126.465   34.787  107.569   26.909   99.128   14.480 8.441383 30.55721 
1 1 1  -11    4   27 o  317.477   13.333  1269.70  105.707  1423.60  191.680  1202.44  126.719  332.444   23.235  307.794   16.547 24.65015 28.52524 
1 1 1  -11    4   28 f  139.314   11.978  245.881   41.265  300.891   90.227  231.331   46.403  151.084   24.774  134.734   13.996 16.35008 28.45381 
1 1 1  -11    4   29 f  138.431   12.127  242.936   41.498  271.567   94.133  236.029   46.234  142.491   27.450  136.129   13.791 6.362564 30.71985 
1 1 1  -11    4   30 o  422.441   17.270  2264.91  182.182  2178.38  327.359  2303.73  219.275  404.854   32.658  424.555   20.683 -19.70132 38.65620 
1 1 1  -11    4   31 o  489.353   34.803  3212.53  422.516   0.0000   0.0000  3212.53  422.516  ?   ?   489.353   34.803 0.000000 34.80256 
1 1 1  -11    4   32 o   93.695   14.981  113.783   33.871   50.773   93.917  123.203   36.315   79.507   31.609   97.479   15.433 -17.97198 35.17538 
1 1 1  -11    4   33 o  115.116   12.877  169.336   36.384  288.901  106.019  153.374   38.736  145.326   30.200  109.123   14.580 36.20306 33.53522 
1 1 1  -11    4   34 o  144.790   12.159  266.548   43.555  397.029  117.988  245.963   46.865  171.092   28.627  138.702   13.710 32.39012 31.74083 
1 1 1  -11    4   35 o  380.327   16.107  1848.75  152.973  1733.67  282.593  1896.45  181.933  355.171   32.212  383.474   18.999 -28.30319 37.39780 
1 1 1  -11    4   36 o  104.598   14.343  142.035   36.477   93.683  115.458  147.396   38.447   91.451   35.435  106.438   14.871 -14.98714 38.42860 
1 1 1  -11    4   37 o  140.107   12.698  252.053   43.943  427.593  134.178  230.964   46.507  171.989   32.431  133.619   14.154 38.36951 35.38465 
1 1 1  -11    4   38 o   99.550   14.777  130.285   35.619   58.306  126.782  136.453   37.114   84.447   35.484  101.832   15.048 -17.38473 38.54278 
1 1 1  -11    4   39 o   88.539   16.202  105.139   34.501   0.0000   0.0000  105.139   34.501  ?   ?    88.539   16.202 0.000000 16.20161 
1 1 1  -11    4   40 o  222.235   24.160  692.510  131.921   0.0000   0.0000  692.510  131.921  ?   ?   222.235   24.160 0.000000 24.16040 
1 1 1  -11    4   41 o   99.754   15.620  133.402   37.632 -27.3516  154.314  143.568   38.804   75.298   34.825  103.618   15.470 -28.32044 38.10656 
1 1 1  -11    4   42 o   70.266   17.310   68.545   30.176   24.066  164.545   70.093   30.696   81.012   36.904   71.022   17.436 9.989685 40.81617 
1 1 1  -11    4   43 o  187.549   13.572  463.557   63.135  495.074  210.035  460.427   66.196  146.353   48.917  186.352   14.335 -39.99860 50.97393 
1 1 1  -11    4   44 o   79.061   19.500   90.452   38.258   85.091  199.641   90.656   38.980   85.765   39.647   79.009   19.797 6.756439 44.31459 
1 1 1  -11    5    1 o  230.460   10.046  664.028   57.813  676.850   81.452  651.010   82.072  232.100   14.120  227.568   14.518 4.531357 20.25234 
1 1 1  -11    5    2 o  525.957   16.928  3466.79  222.330  3408.18  314.130  3525.63  314.715  520.495   24.168  529.447   23.804 -8.952148 33.92215 
1 1 1  -11    5    3 o  417.270   13.912  2179.38  144.962  2210.17  204.814  2148.47  205.202  419.702   19.542  413.769   19.860 5.932983 27.86209 
1 1 1  -11    5    4 o  657.360   20.341  5423.94  333.914  5447.69  472.175  5400.18  472.276  657.071   28.777  654.167   28.911 2.903503 40.79110 
1 1 1  -11    5    5 o  686.195   21.301  5913.16  365.010  5940.44  516.170  5885.87  516.234  685.804   30.140  682.609   30.285 3.194946 42.72680 
1 1 1  -11    5    6 o  515.005   16.548  3323.21  212.816  3408.35  301.020  3238.13  300.916  520.694   23.151  507.436   23.747 13.25827 33.16448 
1 1 1  -11    5    7 o  509.329   16.533  3250.40  210.285  3362.38  297.561  3138.67  297.214  517.179   23.040  499.562   23.825 17.61765 33.14313 
1 1 1  -11    5    8 o  249.673   10.363  779.409   64.611  772.747   91.202  786.121   91.546  247.987   14.795  250.139   14.721 -2.151932 20.87060 
1 1 1  -11    5    9 o  379.278   13.085  1800.16  123.933  1789.68  175.104  1810.69  175.432  377.744   18.563  379.961   18.489 -2.217133 26.19996 
1 1 1  -11    5   10 o  448.116   14.601  2514.45  163.387  2504.30  230.930  2524.62  231.197  446.567   20.708  448.383   20.648 -1.816193 29.24347 
1 1 1  -11    5   11 o  274.423   10.590  941.750   72.570  887.503  102.234  996.845  103.031  265.721   15.474  281.754   14.694 -16.03226 21.33943 
1 1 1  -11    5   12 o  305.728   11.057  1169.11   84.415  1134.07  118.979  1204.63  119.788  300.411   15.917  310.075   15.470 -9.664185 22.19622 
1 1 1  -11    5   13 o  259.378   10.174  841.347   65.896  856.635   92.998  825.933   93.384  261.133   14.316  256.360   14.648 4.773651 20.48193 
1 1 1  -11    5   14 o  716.046   22.121  6453.37  395.539  6349.85  559.140  6557.06  559.615  707.326   31.656  718.951   31.170 -11.62537 44.42583 
1 1 1  -11    5   15 o  822.682   25.377  8548.51  521.347  8688.71  737.403  8408.38  737.188  824.733   35.805  811.013   36.400 13.72003 51.05816 
1 1 1  -11    5   16 f  374.284   18.707  1761.24  174.842   0.0000   0.0000  1761.24  174.842  ?   ?   374.284   18.707 0.000000 18.70659 
1 1 1  -11    5   17 f  241.368   20.333  739.047  121.414  739.047  121.414   0.0000   0.0000  241.368   20.333  ?   ?  0.000000 20.33294 
1 1 1  -11    5   18 o  301.771   15.413  1146.56  115.764  966.161  159.561  1347.05  168.211  275.380   23.425  326.109   20.764 -50.72900 31.30314 
1 1 1  -11    5   19 o  368.470   13.084  1703.14  120.393  1773.77  170.529  1632.95  169.995  375.219   18.200  359.384   19.010 15.83469 26.31715 
1 1 1  -11    5   20 o  362.104   14.980  1648.41  135.451  1606.50  237.215  1668.69  164.993  353.784   27.056  363.740   18.165 -9.956451 32.58779 
1 1 1  -11    5   21 o  349.174   14.687  1533.58  128.062  1543.64  225.398  1528.79  155.619  346.619   26.235  347.539   17.993 -0.9203186 31.81195 
1 1 1  -11    5   22 o  113.873   12.047  164.588   33.737  156.492   68.288  167.202   38.803  108.503   25.614  114.488   13.854 -5.985008 29.12066 
1 1 1  -11    5   23 o  301.056   13.681  1140.40  102.853  1065.05  182.378  1175.54  124.549  287.119   25.709  304.716   16.429 -17.59750 30.50979 
1 1 1  -11    5   24 o  443.618   17.557  2490.49  194.491  2494.85  340.681  2488.39  236.888  436.623   31.456  441.972   21.463 -5.349152 38.08130 
1 1 1  -11    5   25 o  316.547   17.596  1272.68  138.544  1176.60  201.446  1358.92  190.845  300.836   27.106  324.939   23.683 -24.10281 35.99454 
1 1 1  -11    5   26 o  174.355   12.322  384.190   53.303  367.121  102.411  390.532   62.425  167.225   25.316  175.419   14.377 -8.194870 29.11373 
1 1 1  -11    5   27 o  243.627   13.489  749.981   81.747  570.680  150.023  825.699   97.491  207.451   29.816  255.226   15.368 -47.77440 33.54404 
1 1 1  -11    5   28 o  407.261   14.911  2094.27  151.641  2564.59  272.518  1883.34  182.506  445.820   24.573  384.876   18.989 60.94446 31.05542 
1 1 1  -11    5   29 o  235.614   11.253  697.720   66.212  916.166  131.581  623.651   76.620  267.458   19.842  221.955   13.894 45.50319 24.22297 
1 1 1  -11    5   30 o  217.917   13.172  600.611   71.342  579.215  139.677  608.163   82.983  209.646   27.330  218.807   15.283 -9.161362 31.31317 
1 1 1  -11    5   31 o  511.382   36.204  3521.04  459.344   0.0000   0.0000  3521.04  459.344  ?   ?   511.382   36.204 0.000000 36.20412 
1 1 1  -11    5   32 o   91.709   15.822  109.490   34.925   13.987   98.501  123.223   37.351   73.461   31.093   97.401   15.906 -23.94006 34.92538 
1 1 1  -11    5   33 o  246.005   13.003  766.058   79.596  830.200  161.897  745.612   91.406  251.096   26.206  242.089   15.197 9.007248 30.29338 
1 1 1  -11    5   34 o  273.177   13.316  943.972   90.835  992.709  180.869  927.533  105.043  273.701   26.807  269.692   15.665 4.009613 31.04832 
1 1 1  -11    5   35 o  433.198   17.787  2406.98  192.416  2268.31  349.473  2467.30  230.499  404.444   34.945  436.196   21.161 -31.75162 40.85312 
1 1 1  -11    5   36 o  100.598   17.776  133.898   43.022   59.398  115.811  145.825   46.338   84.961   34.631  104.908   18.357 -19.94672 39.19493 
1 1 1  -11    5   37 o  218.747   13.496  612.688   73.362  568.660  163.173  623.843   82.131  198.204   34.203  220.085   15.034 -21.88046 37.36167 
1 1 1  -11    5   38 o  174.772   12.236  391.279   53.064  594.745  149.486  361.944   56.760  204.026   30.257  167.528   13.687 36.49806 33.20895 
1 1 1  -11    5   39 f  119.687   14.188  187.108   41.578   83.328  139.116  197.288   43.570   89.853   37.419  122.829   14.483 -32.97648 40.12384 
1 1 1  -11    5   40 o  228.665   13.326  676.623   75.766  628.367  184.931  686.357   83.057  196.671   39.032  229.532   14.566 -32.86130 41.66134 
1 1 1  -11    5   41 o   46.888   21.150 -17.1010   52.459   0.0000   0.0000 -17.1010   52.459  ?   ?    46.888   21.150 0.000000 21.15042 
1 1 1  -11    5   42 f  105.299   14.750  147.715   37.722  104.010  166.571  150.077   38.728   91.689   39.650  106.021   15.051 -14.33248 42.41052 
1 1 1  -11    5   43 o   80.578   16.265   89.216   31.600   48.803  180.414   90.496   32.096   84.550   38.565   81.107   16.411 3.442871 41.91150 
1 1 1  -11    5   44 o   62.346   17.706   54.685   28.856 -40.9661  192.374   56.887   29.187   76.028   36.288   63.529   17.725 12.49885 40.38544 
1 1 1  -11    6    1 f  576.925   18.329  4175.02  264.067  4116.09  373.134  4234.14  373.760  571.483   26.146  579.687   25.820 -8.203735 36.74616 
1 1 1  -11    6    2 o  743.816   22.870  6956.79  424.794  7150.52  600.832  6763.17  600.668  751.576   32.013  730.650   32.921 20.92682 45.91998 
1 1 1  -11    6    3 o  119.280   9.3544  178.946   27.640  159.310   38.446  199.952   39.765  111.936   14.065  125.758   12.843 -13.82260 19.04600 
1 1 1  -11    6    4 o  820.488   25.238  8476.44  517.102  8493.98  731.220  8458.89  731.365  817.880   35.802  816.158   35.885 1.722656 50.69021 
1 1 1  -11    6    5 f  366.278   12.883  1678.78  117.835  1751.39  166.674  1606.22  166.613  373.740   17.859  357.357   18.736 16.38297 25.88360 
1 1 1  -11    6    6 o  281.190   10.913  988.784   76.627  1025.55  108.313  951.945  108.421  285.755   15.234  275.211   15.843 10.54382 21.97877 
1 1 1  -11    6    7 o  267.822   10.718  896.962   71.681  916.065  101.318  877.817  101.426  270.040   15.085  264.286   15.435 5.754242 21.58263 
1 1 1  -11    6    8 o  345.527   12.240  1493.67  105.615  1507.34  149.161  1479.92  149.564  346.766   17.225  343.133   17.513 3.633240 24.56471 
1 1 1  -11    6    9 o  390.684   13.471  1910.47  131.426  1813.95  185.475  2007.80  186.257  379.664   19.630  400.063   18.644 -20.39856 27.07270 
1 1 1  -11    6   10 o  178.046   9.0754  397.288   40.216  362.874   56.212  433.372   57.561  169.744   13.369  185.685   12.486 -15.94098 18.29341 
1 1 1  -11    6   11 o  343.660   12.465  1477.90  106.973  1460.66  150.952  1495.29  151.615  340.797   17.799  344.843   17.666 -4.045746 25.07763 
1 1 1  -11    6   12 o  490.015   15.727  3009.16  192.443  2961.45  271.886  3057.05  272.427  485.188   22.440  493.009   22.128 -7.820282 31.51533 
1 1 1  -11    6   13 o  770.555   23.798  7480.14  457.932  7512.09  647.544  7448.18  647.683  768.754   33.731  765.416   33.886 3.338928 47.81233 
1 1 1  -11    6   14 o  594.964   18.940  4446.80  281.394  4404.54  397.766  4489.13  398.136  590.287   26.984  595.992   26.751 -5.704773 37.99713 
1 1 1  -11    6   15 o  575.638   21.352  4172.25  306.928  4041.82  532.144  4237.28  375.722  560.211   38.268  578.941   25.989 -18.72974 46.25824 
1 1 1  -11    6   16 o  461.874   18.044  2681.14  208.118  2810.54  254.349  2419.01  362.021  472.226   21.569  433.992   33.668 38.23392 39.98422 
1 1 1  -11    6   17 o  166.752   10.202  349.287   42.279  261.582   68.973  402.080   53.512  142.778   19.885  178.759   12.058 -35.98102 23.25500 
1 1 1  -11    6   18 o  162.594   13.514  333.835   54.374  351.431   72.145  310.697   82.731  166.215   17.652  155.348   21.936 10.86673 28.15647 
1 1 1  -11    6   19 o  465.947   15.457  2728.61  179.849  2660.10  254.059  2797.42  254.632  458.474   22.191  470.301   21.681 -11.82724 31.02423 
1 1 1  -11    6   20 o  336.684   12.678  1422.36  106.590  1493.51  151.018  1351.74  150.467  343.769   17.651  326.801   18.514 16.96756 25.57990 
1 1 1  -11    6   21 o  357.607   12.350  1605.09  110.285  1629.30  156.174  1581.00  155.759  359.373   17.403  353.960   17.622 5.413269 24.76639 
1 1 1  -11    6   22 o  133.300   11.395  224.557   37.568  291.372   74.945  202.133   43.417  150.252   20.510  126.005   14.037 24.24686 24.85334 
1 1 1  -11    6   23 o  179.937   11.051  407.791   49.414  481.256   94.464  380.116   57.979  193.817   19.795  173.321   13.502 20.49596 23.96170 
1 1 1  -11    6   24 o  480.436   17.685  2921.28  212.171  3176.96  371.940  2797.94  258.324  493.815   30.308  468.426   22.084 25.38910 37.50052 
1 1 1  -11    6   25 o   79.560   14.754   82.307   28.233   99.103   65.701   78.503   31.267   87.617   27.189   77.354   16.677 10.26241 31.89653 
1 1 1  -11    6   26 o  194.573   14.012  479.492   67.629  547.486  108.201  435.901   86.637  206.164   21.325  184.325   19.099 21.83833 28.62771 
1 1 1  -11    6   27 o  275.463   13.384  955.727   92.064  939.008  167.320  962.986  110.253  269.025   25.200  275.523   16.094 -6.498871 29.90081 
1 1 1  -11    6   28 o  221.385   12.520  618.677   68.934  702.414  131.994  587.273   80.834  233.084   22.976  215.128   15.143 17.95563 27.51775 
1 1 1  -11    6   29 o  201.495   12.322  512.755   61.701  602.513  122.546  482.274   71.413  215.596   23.123  194.900   14.783 20.69644 27.44444 
1 1 1  -11    6   30 o  261.894   12.981  864.070   84.898  993.542  162.531  815.489   99.560  277.045   23.722  253.410   15.812 23.63556 28.50843 
1 1 1  -11    6   31 o  597.407   21.481  4570.53  320.465  5213.21  565.463  4266.44  388.959  622.632   36.528  572.893   27.188 49.73944 45.53570 
1 1 1  -11    6   32 o  371.125   28.259  1809.08  259.926   0.0000   0.0000  1809.08  259.926  ?   ?   371.125   28.259 0.000000 28.25889 
1 1 1  -11    6   33 o  156.362   13.265  310.816   51.306  283.579  120.316  316.870   56.721  142.871   34.181  157.600   14.578 -14.72853 37.16013 
1 1 1  -11    6   34 o  147.935   13.836  279.278   50.520  189.257  121.710  298.017   55.530  117.164   37.103  152.641   14.752 -35.47675 39.92833 
1 1 1  -11    6   35 o  535.485   20.619  3705.35  275.723  3734.38  491.765  3692.04  332.985  515.496   38.479  530.174   25.151 -14.67865 45.96957 
1 1 1  -11    6   36 o  148.243   13.081  280.980   47.928  224.906  128.518  290.039   51.655  124.251   37.939  150.406   13.911 -26.15507 40.40906 
1 1 1  -11    6   37 o  237.587   16.432  729.619   96.890  859.263  175.059  672.369  116.332  249.790   28.579  225.695   20.877 24.09496 35.39245 
1 1 1  -11    6   38 o   86.850   15.813  100.079   33.032  269.000  141.414   90.330   33.972  131.004   39.752   82.046   17.134 48.95794 43.28742 
1 1 1  -11    6   39 o  251.996   16.829  831.376  105.291  1094.96  195.288  723.353  125.019  277.939   28.542  231.315   21.904 46.62396 35.97840 
1 1 1  -11    6   40 o   72.920   17.199   72.484   30.809   32.392  137.195   74.613   31.617   81.006   35.492   73.941   17.411 7.065681 39.53273 
1 1 1  -11    6   41 f  152.913   13.492  304.551   50.991  311.736  167.299  303.815   53.538  130.791   43.658  152.375   14.235 -21.58435 45.91996 
1 1 1  -11    6   42 o   69.049   25.871   59.749   60.249   0.0000   0.0000   59.749   60.249  ?   ?    69.049   25.871 0.000000 25.87127 
1 1 1  -11    6   43 o   91.031   15.582  112.164   34.148  221.036  179.444  108.073   34.784  107.613   43.380   89.033   16.244 18.57977 46.32133 
1 1 1  -11    6   44 o  114.826   14.890  177.182   41.691  184.920  204.215  176.846   42.588   99.101   43.364  114.510   15.274 -15.40902 45.97542 
1 1 1  -11    7    1 o  225.948   9.9245  638.361   55.997  572.680   78.587  706.106   79.812  213.307   14.846  237.104   13.536 -23.79782 20.09033 
1 1 1  -11    7    2 o  287.021   11.029  1030.40   79.050  982.014  111.293  1079.67  112.302  279.478   16.013  293.161   15.394 -13.68304 22.21273 
1 1 1  -11    7    3 o  462.648   15.272  2681.33  176.444  2734.67  249.483  2627.95  249.576  466.488   21.417  457.234   21.858 9.254059 30.60145 
1 1 1  -11    7    4 o  390.818   13.432  1911.88  131.093  1977.53  185.260  1846.05  185.527  397.004   18.687  383.016   19.461 13.98862 26.98032 
1 1 1  -11    7    5 o  162.149   9.0955  329.694   36.681  305.667   51.203  355.023   52.573  155.709   13.296  167.966   12.626 -12.25710 18.33578 
1 1 1  -11    7    6 o  448.293   14.948  2517.02  167.341  2588.40  236.618  2445.59  236.693  453.941   20.874  441.163   21.485 12.77844 29.95524 
1 1 1  -11    7    7 o  498.164   16.255  3109.97  202.217  3131.36  285.782  3088.51  286.175  498.972   22.936  495.517   23.127 3.455780 32.57156 
1 1 1  -11    7    8 o  499.080   16.229  3121.48  202.259  3136.30  285.913  3106.63  286.162  499.350   22.929  496.962   23.059 2.388397 32.51818 
1 1 1  -11    7    9 o  270.275   10.709  913.569   72.280  963.363  102.021  863.389  102.417  276.946   14.805  262.035   15.725 14.91092 21.59773 
1 1 1  -11    7   10 o  543.596   17.523  3706.06  237.872  3717.66  336.355  3694.45  336.447  543.235   24.795  541.520   24.880 1.714905 35.12545 
1 1 1  -11    7   11 o  284.583   11.121  1013.09   79.029  945.888  111.128  1081.84  112.412  274.211   16.302  293.433   15.395 -19.22144 22.42235 
1 1 1  -11    7   12 f  584.325   18.611  4286.37  271.566  4210.25  383.750  4362.74  384.356  577.480   26.611  587.950   26.178 -10.46967 37.32899 
1 1 1  -11    7   13 o  445.379   14.990  2486.01  166.713  2456.77  235.587  2515.34  235.949  441.905   21.349  447.177   21.129 -5.271332 30.03702 
1 1 1  -11    7   14 o  551.536   17.713  3819.40  243.962  3901.43  344.955  3737.31  345.073  555.929   24.848  543.977   25.403 11.95190 35.53479 
1 1 1  -11    7   15 o  471.691   18.066  2795.53  212.800  3354.90  368.843  2516.44  260.533  513.464   28.883  445.969   23.477 67.49548 37.22115 
1 1 1  -11    7   16 o  282.934   11.537  1002.32   81.515  1043.01  114.952  961.154  115.611  287.804   16.058  276.124   16.847 11.68033 23.27446 
1 1 1  -11    7   17 o  474.796   18.326  2836.48  217.282  3031.52  375.022  2737.93  266.587  486.456   31.034  465.465   22.935 20.99136 38.58896 
1 1 1  -11    7   18 o  179.492   14.112  406.755   62.745  476.295   84.460  321.111   93.731  193.765   17.649  157.357   24.664 36.40782 30.32791 
1 1 1  -11    7   19 o  333.650   14.797  1398.52  123.285  1520.72  150.797  1152.20  214.091  347.081   17.454  298.945   29.045 48.13553 33.88616 
1 1 1  -11    7   20 o  175.378   8.6482  384.934   37.875  386.966   53.603  382.909   53.523  175.202   12.330  174.270   12.379 0.9321899 17.47257 
1 1 1  -11    7   21 o  371.138   13.019  1729.95  120.660  1768.47  170.760  1691.54  170.517  374.189   18.274  365.388   18.751 8.800598 26.18319 
1 1 1  -11    7   22 o  297.905   10.790  1112.99   80.269  1106.28  113.783  1119.64  113.253  295.930   15.451  297.754   15.283 -1.824280 21.73224 
1 1 1  -11    7   23 o  257.974   12.720  836.453   81.941  770.127  146.377  866.724   98.887  244.293   24.318  261.806   15.191 -17.51289 28.67249 
1 1 1  -11    7   24 o  272.311   13.010  932.681   88.467  906.604  158.711  944.435  106.556  265.077   24.245  273.134   15.688 -8.056519 28.87803 
1 1 1  -11    7   25 o   93.471   13.895  112.379   31.446  110.318   69.959  112.901   35.203   91.967   27.972   93.348   15.656 -1.381149 32.05507 
1 1 1  -11    7   26 o  192.257   14.013  468.178   66.814  547.164  107.617  418.636   85.230  206.151   21.207  180.587   19.194 25.56491 28.60336 
1 1 1  -11    7   27 o  198.716   12.242  498.466   60.451  489.283  113.909  502.066   71.323  193.906   24.040  199.012   14.450 -5.105713 28.04845 
1 1 1  -11    7   28 f  190.997   12.240  460.710   58.070  479.771  113.223  453.906   67.645  191.884   24.165  189.156   14.430 2.727859 28.14526 
1 1 1  -11    7   29 o  341.316   14.363  1469.84  122.419  1537.77  221.292  1439.89  146.953  344.223   25.934  336.526   17.548 7.696625 31.31315 
1 1 1  -11    7   30 o  394.584   14.294  1964.88  140.849  2607.32  258.683  1694.16  167.923  450.167   23.089  364.646   18.502 85.52066 29.58751 
1 1 1  -11    7   31 o  205.352   12.805  533.255   65.339  579.679  133.228  518.553   74.975  210.227   25.927  202.021   14.968 8.205795 29.93783 
1 1 1  -11    7   32 o  311.905   14.701  1229.81  114.502  1158.44  213.946  1258.45  135.549  296.128   29.317  314.312   17.337 -18.18384 34.05941 
1 1 1  -11    7   33 o  262.065   24.144  895.117  156.227   0.0000   0.0000  895.117  156.227  ?   ?   262.065   24.144 0.000000 24.14387 
1 1 1  -11    7   34 o  211.753   13.095  568.557   68.907  542.424  150.106  575.534   77.562  200.009   31.061  212.636   14.697 -12.62697 34.36303 
1 1 1  -11    7   35 o  351.257   15.667  1570.43  137.424  1687.89  259.380  1524.59  162.035  354.654   29.557  344.117   18.929 10.53629 35.09838 
1 1 1  -11    7   36 o  155.308   12.901  307.814   49.580  395.471  131.536  293.298   53.529  167.720   32.580  151.188   14.350 16.53212 35.60016 
1 1 1  -11    7   37 o  114.549   13.693  169.400   38.393  307.753  126.546  155.374   40.292  144.916   35.296  109.224   15.183 35.69196 38.42319 
1 1 1  -11    7   38 f  123.628   16.402  200.475   49.388  388.617  145.312  175.904   52.514  160.407   37.027  114.751   18.990 45.65597 41.61311 
1 1 1  -11    7   39 o  239.666   13.522  739.073   80.600  921.039  186.205  697.119   89.410  253.957   29.937  231.644   15.547 22.31236 33.73311 
1 1 1  -11    7   40 o  178.168   13.419  410.699   59.264  362.024  163.933  418.017   63.563  145.625   42.464  179.330   14.313 -33.70467 44.81163 
1 1 1  -11    7   41 o   99.450   15.210  131.467   36.572  112.961  151.063  132.619   37.694   94.390   39.124   99.723   15.652 -5.332848 42.13840 
1 1 1  -11    7   42 o  130.648   13.555  223.424   43.580  485.480  175.384  206.179   44.992  165.664   42.259  124.954   14.700 40.71002 44.74308 
1 1 1  -11    7   43 o  121.433   26.907  221.217   79.446   0.0000   0.0000  221.217   79.446  ?   ?   121.433   26.907 0.000000 26.90670 
1 1 1  -11    7   44 o  127.355   13.941  215.128   43.612  332.520  201.666  209.368   44.669  121.069   46.853  125.301   14.547 -4.232605 49.05943 
1 1 1  -11    8    1 o  336.634   11.931  1418.19  100.299  1391.34  141.378  1445.39  142.313  332.602   17.080  339.467   16.788 -6.865631 23.94876 
1 1 1  -11    8    2 o  467.861   15.290  2743.07  178.638  2643.45  252.165  2843.44  253.102  458.389   22.029  475.527   21.314 -17.13791 30.65267 
1 1 1  -11    8    3 o  705.113   21.795  6252.84  383.759  6052.08  542.264  6454.27  543.170  691.022   31.424  713.931   30.467 -22.90967 43.76910 
1 1 1  -11    8    4 o  804.525   24.782  8156.23  497.891  8038.11  703.807  8274.55  704.443  794.882   35.457  806.692   34.969 -11.81018 49.80004 
1 1 1  -11    8    5 o  266.101   10.559  885.592   70.168  830.753   98.613  941.831   99.863  257.031   15.435  273.823   14.658 -16.79166 21.28595 
1 1 1  -11    8    6 o  695.085   21.510  6073.80  373.355  5837.85  527.458  6310.72  528.550  678.934   31.111  706.254   29.969 -27.32068 43.19751 
1 1 1  -11    8    7 o  364.962   12.933  1667.22  117.866  1789.91  166.808  1544.88  166.568  377.747   17.683  350.291   19.114 27.45615 26.03946 
1 1 1  -11    8    8 o  718.331   22.247  6490.36  399.066  6306.19  563.923  6675.11  564.807  705.299   32.018  725.927   31.157 -20.62799 44.67572 
1 1 1  -11    8    9 o  495.602   16.132  3078.92  199.652  3033.96  282.154  3124.02  282.549  490.971   23.013  498.258   22.709 -7.286316 32.33094 
1 1 1  -11    8   10 o  587.115   18.632  4327.15  273.175  4254.96  385.999  4399.58  386.658  580.579   26.624  590.459   26.223 -9.880432 37.36979 
1 1 1  -11    8   11 o  270.677   10.957  916.557   74.064  956.163  104.422  876.460  105.066  275.801   15.220  263.922   16.018 11.87927 22.09585 
1 1 1  -11    8   12 f  198.098   9.8566  490.784   48.759  456.493   68.150  526.746   69.791  190.332   14.446  204.614   13.739 -14.28159 19.93596 
1 1 1  -11    8   13 o  612.921   19.402  4722.02  296.959  4516.60  419.449  4928.45  420.480  597.258   28.123  624.241   26.974 -26.98340 38.96803 
1 1 1  -11    8   14 o  420.356   20.402  2223.66  214.158   0.0000   0.0000  2223.66  214.158  ?   ?   420.356   20.402 0.000000 20.40168 
1 1 1  -11    8   15 o  326.684   17.539  1344.66  142.557  1344.66  142.557   0.0000   0.0000  326.684   17.539  ?   ?  0.000000 17.53889 
1 1 1  -11    8   16 o  340.543   12.506  1452.98  106.353  1454.42  150.164  1451.53  150.648  339.664   17.766  339.311   17.842 0.3523865 25.17836 
1 1 1  -11    8   17 o  304.778   16.275  1170.46  123.422  1118.64  170.895  1226.95  178.440  296.519   23.266  310.647   23.169 -14.12769 32.83484 
1 1 1  -11    8   18 f  145.167   14.465  267.149   51.740  385.099   68.891  114.539   78.363  174.314   16.005   94.977   29.730 79.33710 33.76460 
1 1 1  -11    8   19 o  143.180   12.250  258.942   43.378  309.265   52.242  147.222   77.840  156.394   13.509  105.592   28.747 50.80151 31.76343 
1 1 1  -11    8   20 o  267.317   10.172  895.190   67.902  858.243   95.574  932.848   96.489  260.862   14.732  272.083   14.251 -11.22128 20.49658 
1 1 1  -11    8   21 o  214.871   10.319  578.635   55.371  645.209   78.673  513.285   77.946  226.115   14.002  201.297   15.629 24.81816 20.98357 
1 1 1  -11    8   22 o  229.594   9.5636  660.489   54.832  689.673   77.903  631.836   77.190  233.842   13.397  223.704   13.886 10.13861 19.29497 
1 1 1  -11    8   23 o  335.855   13.036  1418.27  109.332  1486.88  154.851  1350.07  154.388  342.296   18.181  325.863   19.056 16.43292 26.33769 
1 1 1  -11    8   24 o  112.733   12.621  161.734   34.922  161.240   72.560  161.883   39.839  109.823   26.714  112.442   14.528 -2.619774 30.40878 
1 1 1  -11    8   25 o  198.804   12.492  498.890   61.700  368.373  114.521  552.271   73.239  166.621   28.551  208.906   14.122 -42.28461 31.85247 
1 1 1  -11    8   26 o  201.441   11.777  511.666   58.987  597.199  112.638  479.346   69.240  215.465   21.209  194.483   14.358 20.98280 25.61230 
1 1 1  -11    8   27 o  268.256   16.440  913.501  109.598  823.679  162.851  987.865  148.178  251.439   26.327  277.402   21.560 -25.96347 34.02815 
1 1 1  -11    8   28 o  354.649   15.350  1588.71  135.942  1479.81  241.679  1639.11  164.419  336.219   29.071  358.882   18.408 -22.66220 34.40914 
1 1 1  -11    8   29 o  162.888   12.793  336.029   51.619  284.330  105.704  352.219   59.152  145.183   30.142  166.490   14.368 -21.30782 33.39149 
1 1 1  -11    8   30 o  219.735   12.938  610.168   70.679  545.093  137.456  633.558   82.408  203.240   27.813  223.504   14.850 -20.26364 31.52910 
1 1 1  -11    8   31 o  203.165   12.629  521.776   63.754  518.949  129.284  522.684   73.284  198.480   26.767  202.935   14.558 -4.455521 30.46961 
1 1 1  -11    8   32 f  106.466   14.473  145.740   37.481   93.636  101.828  153.905   40.311   91.645   33.770  109.309   15.177 -17.66399 37.02396 
1 1 1  -11    8   33 o  157.927   15.332  318.703   59.704   0.0000   0.0000  318.703   59.704  ?   ?   157.927   15.332 0.000000 15.33228 
1 1 1  -11    8   34 o  322.602   26.440  1368.26  211.128   0.0000   0.0000  1368.26  211.128  ?   ?   322.602   26.440 0.000000 26.43996 
1 1 1  -11    8   35 o  488.801   19.287  3068.38  235.421  2981.33  421.742  3107.79  283.743  464.259   36.676  488.870   23.242 -24.61130 43.42083 
1 1 1  -11    8   36 o  105.338   14.917  143.923   38.141  100.851  123.280  148.482   40.109   95.354   36.708  106.874   15.479 -11.51962 39.83826 
1 1 1  -11    8   37 o  123.300   14.615  196.601   44.124  148.304  134.970  202.380   46.689  105.814   38.896  124.926   15.285 -19.11179 41.79171 
1 1 1  -11    8   38 o  117.600   39.554  207.567  137.337  207.567  137.337   0.0000   0.0000  117.600   39.554  ?   ?  0.000000 39.55417 
1 1 1  -11    8   39 o   79.432   18.967   85.963   37.103 -11.7579  135.669   93.862   38.574   76.468   34.294   83.029   19.013 -6.561340 39.21179 
1 1 1  -11    8   40 o  126.451   13.837  208.182   42.980  287.517  147.261  200.794   44.937  131.672   40.680  123.789   14.832 7.883301 43.30002 
1 1 1  -11    8   41 o  146.475   14.216  280.180   51.342  212.964  163.123  287.571   54.091  112.816   42.511  148.133   14.821 -35.31725 45.02045 
1 1 1  -11    8   42 o  125.320   14.042  206.143   43.190  308.244  171.007  199.187   44.637  128.967   44.134  122.812   14.857 6.154564 46.56708 
1 1 1  -11    8   43 o  137.523   14.323  249.366   48.465  116.828  184.741  259.162   50.224   95.118   41.442  140.096   14.569 -44.97853 43.92871 
1 1 1  -11    8   44 o  107.355   28.609  180.178   78.083   0.0000   0.0000  180.178   78.083  ?   ?   107.355   28.609 0.000000 28.60879 
1 1 1  -11    8   45 o  104.695   15.582  148.984   39.497  -1.9484  209.816  154.529   40.216   81.269   38.534  106.672   15.555 -25.40324 41.55486 
1 1 1  -11    9    1 o  721.240   32.045  6616.50  577.144  6603.21  815.548  6629.83  816.864  712.250   46.100  713.701   46.080 -1.450134 65.18084 
1 1 1  -11    9    2 o  396.223   15.754  1968.71  155.877  1961.62  268.913  1972.30  191.293  392.831   27.588  396.150   19.337 -3.319885 33.68991 
1 1 1  -11    9    3 o  574.609   18.039  4145.29  258.837  3983.36  365.504  4308.20  366.600  561.602   26.062  584.287   25.126 -22.68518 36.20136 
1 1 1  -11    9    4 o  1037.87   31.368 13668.61  812.988 13045.88  1148.83 14293.33  1150.65  1004.90   45.781  1053.38   43.743 -48.48553 63.31914 
1 1 1  -11    9    5 o  717.142   22.290  6473.38  399.181  6308.44  564.143  6638.76  564.912  704.934   32.047  723.440   31.270 -18.50531 44.77540 
1 1 1  -11    9    6 o  510.047   16.486  3262.45  209.980  3273.28  296.735  3251.59  297.179  509.781   23.310  508.068   23.423 1.712860 33.04515 
1 1 1  -11    9    7 o  609.097   19.266  4660.02  293.034  4718.25  414.262  4601.70  414.563  611.100   27.146  603.409   27.512 7.691467 38.65046 
1 1 1  -11    9    8 o  455.314   15.161  2598.15  172.383  2600.36  243.510  2595.92  244.064  454.662   21.448  454.262   21.515 0.3998718 30.37932 
1 1 1  -11    9    9 o  369.160   12.886  1706.23  118.787  1652.87  167.527  1760.19  168.458  362.340   18.577  374.464   18.015 -12.12360 25.87755 
1 1 1  -11    9   10 o  535.378   17.184  3596.69  229.746  3750.87  324.896  3442.48  324.924  545.481   23.851  522.351   24.910 23.13019 34.48744 
1 1 1  -11    9   11 o  358.834   12.801  1612.31  114.706  1627.70  162.018  1596.85  162.420  359.582   18.101  356.112   18.326 3.470154 25.75869 
1 1 1  -11    9   12 o  412.036   14.141  2127.51  145.498  2147.61  205.584  2107.34  205.947  413.239   19.922  409.312   20.149 3.926880 28.33495 
1 1 1  -11    9   13 o  217.285   10.099  590.650   54.799  576.612   76.984  605.069   78.021  213.981   14.492  219.242   14.330 -5.260620 20.38058 
1 1 1  -11    9   14 o  621.790   19.629  4865.22  304.792  4710.87  430.487  5020.37  431.595  609.297   28.293  629.285   27.465 -19.98816 39.43127 
1 1 1  -11    9   15 o  248.519   10.496  773.000   65.141  762.839   91.655  783.372   92.599  246.126   14.984  249.435   14.935 -3.308960 21.15562 
1 1 1  -11    9   16 o  169.964   10.959  363.195   46.265  357.400   75.652  366.657   58.474  167.544   18.384  170.425   13.860 -2.880981 23.02315 
1 1 1  -11    9   17 o  314.217   16.447  1244.55  128.605  1157.81  178.141  1338.97  185.853  301.441   23.860  324.498   23.086 -23.05701 33.20053 
1 1 1  -11    9   18 o  336.858   17.765  1433.06  148.909  1501.94  207.732  1360.26  213.566  343.190   24.398  325.908   26.470 17.28207 35.99911 
1 1 1  -11    9   19 o  240.745   12.880  729.356   77.153  768.876   93.679  646.028  136.027  246.816   15.274  224.113   24.717 22.70242 29.05545 
1 1 1  -11    9   20 o  135.845   9.8184  232.346   33.083  229.917   46.164  234.910   47.434  134.557   13.941  135.988   14.177 -1.430969 19.88278 
1 1 1  -11    9   21 o   50.648   14.204   33.153   18.691   54.029   25.342   8.2486   27.679   64.231   15.888   41.543   16.931 22.68845 23.21824 
1 1 1  -11    9   22 o  129.320   9.7682  210.771   31.312  208.849   43.678  212.804   44.912  128.117   13.874  129.293   14.141 -1.176315 19.81041 
1 1 1  -11    9   23 o  339.976   12.645  1452.81  107.357  1532.34  152.086  1373.83  151.566  347.657   17.575  328.855   18.532 18.80188 25.54052 
1 1 1  -11    9   24 o  288.794   10.903  1046.78   78.630  1047.11  111.363  1046.45  111.037  287.661   15.561  287.579   15.519 0.8169556E-01 21.97672 
1 1 1  -11    9   25 o  168.357   11.868  357.904   49.577  333.253   94.953  367.142   58.130  159.477   24.637  170.197   13.796 -10.71999 28.23672 
1 1 1  -11    9   26 o  197.012   12.278  489.903   60.105  455.709  112.267  503.642   71.163  186.924   24.653  199.370   14.390 -12.44569 28.54536 
1 1 1  -11    9   27 o   92.456   16.252  111.155   36.152  198.898   76.620   86.026   41.003  122.084   25.933   80.659   20.356 41.42568 32.96790 
1 1 1  -11    9   28 o  156.148   14.521  310.160   55.975  346.095   97.381  292.430   68.404  162.359   24.806  150.686   18.572 11.67313 30.98767 
1 1 1  -11    9   29 o  253.529   12.847  811.252   81.071  998.659  153.529  738.792   95.466  278.535   22.259  241.203   15.939 37.33145 27.37739 
1 1 1  -11    9   30 o  200.176   12.668  506.441   62.998  585.240  126.825  480.630   72.586  211.987   24.403  194.495   15.062 17.49232 28.67720 
1 1 1  -11    9   31 o  261.397   13.422  863.619   87.321  889.102  166.877  854.011  102.468  261.014   25.946  259.302   15.901 1.711975 30.43132 
1 1 1  -11    9   32 o  152.517   13.223  295.437   49.864  266.159  115.320  302.170   55.301  139.049   33.588  153.988   14.554 -14.93913 36.60565 
1 1 1  -11    9   33 o  195.090   12.570  481.667   60.911  631.601  135.024  443.359   68.250  219.530   25.080  186.656   14.763 32.87439 29.10269 
1 1 1  -11    9   34 o  103.987   28.825  146.943   77.448   0.0000   0.0000  146.943   77.448  ?   ?   103.987   28.825 0.000000 28.82452 
1 1 1  -11    9   35 f  240.767   14.417  737.607   86.283  520.395  175.130  807.231   99.151  191.523   37.959  251.423   15.874 -59.89980 41.14443 
1 1 1  -11    9   36 o  229.809   13.183  671.542   75.338  727.852  165.584  656.843   84.602  231.480   29.301  226.659   15.032 4.820923 32.93246 
1 1 1  -11    9   37 o  150.543   14.742  291.832   54.711   0.0000   0.0000  291.832   54.711  ?   ?   150.543   14.742 0.000000 14.74248 
1 1 1  -11    9   38 o  104.430   15.203  142.597   38.483  173.833  132.200  139.705   40.225  110.050   38.740  103.052   16.163 6.997398 41.97691 
1 1 1  -11    9   39 o   72.470   17.655   71.033   31.656  163.384  137.249   65.844   32.533  106.402   39.206   69.719   18.413 36.68333 43.31484 
1 1 1  -11    9   40 o   86.184   18.655  101.259   38.984   79.400  141.535  103.053   40.553   89.849   37.607   86.777   19.220 3.071640 42.23425 
1 1 1  -11    9   41 o  127.653   14.170  213.085   44.407  379.753  159.153  199.014   46.243  149.725   41.249  122.815   15.418 26.91043 44.03608 
1 1 1  -11    9   42 o  163.183   14.058  347.672   56.726  259.205  183.024  357.073   59.663  119.239   45.006  165.097   14.623 -45.85779 47.32220 
1 1 1  -11    9   43 o  110.218   15.386  162.073   41.192  321.897  185.005  153.736   42.253  127.792   45.738  106.869   16.353 20.92297 48.57355 
1 1 1  -11    9   44 o  108.097   15.225  156.668   39.961  111.290  192.912  158.702   40.847   93.396   41.452  108.682   15.489 -15.28551 44.25161 
1 1 1  -11    9   45 o  201.697   23.110  587.939  114.297  276.911  240.843  678.351  129.851  108.702   47.341  214.806   24.654 -106.1038 53.37602 
1 1 1  -11   10    1 o  141.444   9.3941  251.363   32.992  240.615   45.698  263.065   47.682  137.909   13.440  144.266   13.388 -6.356445 18.97054 
1 1 1  -11   10    2 o  472.034   17.703  2799.68  208.681  2648.75  254.959  3105.99  363.224  458.295   22.278  493.569   29.607 -35.27402 37.05198 
1 1 1  -11   10    3 o  463.904   21.784  2711.82  252.358  2658.65  355.581  2765.78  358.210  456.077   31.413  465.353   31.003 -9.276581 44.13523 
1 1 1  -11   10    4 o  868.859   37.987  9681.66  824.214  9076.56  1163.67 10290.83  1167.57  826.362   56.734  883.314   53.180 -56.95197 77.76178 
1 1 1  -11   10    5 o  567.748   25.793  4073.98  365.683  4034.41  515.960  4113.91  518.356  560.248   37.089  565.851   36.886 -5.602661 52.30833 
1 1 1  -11   10    6 o  286.116   11.267  1024.48   80.504  992.916  113.529  1056.41  114.172  280.861   16.257  289.788   15.837 -8.927094 22.69558 
1 1 1  -11   10    7 o  682.664   21.348  5866.77  363.925  5881.17  514.473  5852.34  514.862  680.698   30.266  678.991   30.365 1.706787 42.87292 
1 1 1  -11   10    8 o  289.738   11.173  1050.55   80.842  1021.24  113.784  1080.42  114.879  284.879   16.060  293.084   15.754 -8.205505 22.49707 
1 1 1  -11   10    9 o  256.115   10.477  820.664   67.008  823.078   94.230  818.195   95.305  255.811   14.814  255.019   15.032 0.7912750 21.10515 
1 1 1  -11   10   10 o  382.558   13.443  1833.52  128.419  1914.89  181.541  1752.02  181.682  390.348   18.624  372.749   19.587 17.59897 27.02789 
1 1 1  -11   10   11 o  122.167   9.8109  187.896   29.678  172.606   40.815  205.049   43.231  116.477   14.335  127.172   13.836 -10.69469 19.92319 
1 1 1  -11   10   12 o  402.402   13.807  2029.55  138.743  2079.61  196.011  1979.28  196.413  406.595   19.305  396.084   19.921 10.51172 27.74063 
1 1 1  -11   10   13 o  594.919   27.139  4487.44  403.178   0.0000   0.0000  4487.44  403.178  ?   ?   594.919   27.139 0.000000 27.13867 
1 1 1  -11   10   14 o  272.423   12.727  929.956   86.582  903.636  106.145  982.286  149.670  267.802   15.944  278.218   21.715 -10.41605 26.93971 
1 1 1  -11   10   15 o  338.005   14.094  1433.15  118.959  1336.97  203.072  1483.40  146.779  323.853   25.312  343.500   17.111 -19.64777 30.55286 
1 1 1  -11   10   16 o  177.558   14.250  398.163   62.651  485.726   84.660  292.155   93.151  195.718   17.507  149.680   25.856 46.03777 31.22574 
1 1 1  -11   10   17 f  394.299   20.070  1967.32  196.966  2427.32  277.337  1499.18  279.782  436.353   25.563  339.924   33.391 96.42905 42.05293 
1 1 1  -11   10   18 o  315.373   17.547  1256.88  137.640  1490.04  192.247  1011.68  197.151  342.167   22.627  279.947   28.603 62.22043 36.47107 
1 1 1  -11   10   19 o  192.733   10.038  466.551   48.147  473.051   67.587  459.854   68.604  193.528   14.082  190.727   14.513 2.801361 20.22189 
1 1 1  -11   10   20 o  509.803   16.969  3277.60  216.029  3260.38  305.253  3294.87  305.770  505.890   24.163  508.595   24.075 -2.705566 34.10978 
1 1 1  -11   10   21 o  345.026   12.539  1495.15  108.034  1440.81  152.485  1549.91  153.084  337.138   18.179  350.313   17.499 -13.17554 25.23324 
1 1 1  -11   10   22 o  307.807   11.888  1189.71   91.377  1141.09  128.812  1238.96  129.645  300.034   17.265  312.834   16.656 -12.80026 23.98946 
1 1 1  -11   10   23 o  182.322   9.6510  417.848   43.784  395.767   61.456  440.609   62.394  176.754   14.039  186.658   13.476 -9.903961 19.46038 
1 1 1  -11   10   24 o  291.698   12.143  1069.35   88.452  1065.12  124.879  1073.60  125.303  289.647   17.345  290.803   17.334 -1.156586 24.52141 
1 1 1  -11   10   25 o  181.820   9.3734  415.522   42.414  399.037   59.537  432.510   60.438  177.523   13.532  184.925   13.174 -7.402618 18.88563 
1 1 1  -11   10   26 o  203.911   12.523  524.929   63.458  436.269  117.028  561.854   75.525  182.225   26.494  210.613   14.447 -28.38806 30.17698 
1 1 1  -11   10   27 o  137.128   14.981  240.061   50.467  231.053   89.261  244.294   61.185  131.236   28.085  137.629   18.253 -6.392899 33.49569 
1 1 1  -11   10   28 o  264.598   15.277  887.068  100.512  1038.38  153.823  774.332  132.777  284.279   21.835  245.237   21.912 39.04155 30.93409 
1 1 1  -11   10   29 o  196.114   13.019  486.391   63.394  461.287  122.085  495.659   74.178  187.136   26.898  197.542   15.153 -10.40640 30.87253 
1 1 1  -11   10   30 o  275.290   13.662  955.393   93.922  962.762  174.838  952.404  111.354  271.822   26.077  273.824   16.360 -2.002594 30.78419 
1 1 1  -11   10   31 o  398.639   16.290  2012.48  162.161  2155.94  291.498  1948.18  195.145  405.592   28.971  390.312   20.090 15.28000 35.25491 
1 1 1  -11   10   32 o  119.760   14.264  183.591   41.819  154.794  107.027  188.779   45.431  108.241   34.848  121.236   15.350 -12.99467 38.07925 
1 1 1  -11   10   33 o  238.369   13.619  719.590   80.729  671.283  162.254  735.483   93.067  224.391   29.685  240.478   15.582 -16.08678 33.52568 
1 1 1  -11   10   34 o  200.324   12.739  508.378   63.393  689.843  145.079  465.554   70.477  228.824   25.842  191.156   14.881 37.66776 29.82065 
1 1 1  -11   10   35 f  302.696   26.286  1210.27  196.720   0.0000   0.0000  1210.27  196.720  ?   ?   302.696   26.286 0.000000 26.28609 
1 1 1  -11   10   36 o  178.792   12.765  406.710   56.620  593.960  146.911  374.044   61.361  209.168   28.898  170.954   14.510 38.21349 32.33644 
1 1 1  -11   10   37 o  166.172   36.304  401.513  146.436  401.513  146.436   0.0000   0.0000  166.172   36.304  ?   ?  0.000000 36.30437 
1 1 1  -11   10   38 o  152.576   12.976  298.421   48.971  456.522  144.935  278.045   52.031  177.592   33.918  146.802   14.378 30.79033 36.83958 
1 1 1  -11   10   39 o   99.702   15.931  131.270   38.330  131.803  136.892  131.225   39.927  100.207   38.652   99.441   16.669 0.7664642 42.09284 
1 1 1  -11   10   40 o   87.689   18.344  104.398   38.878  245.094  146.095   93.675   40.332  122.809   40.789   82.561   19.815 40.24858 45.34680 
1 1 1  -11   10   41 o  106.874   15.651  151.442   40.531  292.579  157.936  141.491   41.936  130.420   42.366  102.740   16.935 27.68023 45.62546 
1 1 1  -11   10   42 o   66.915   18.338   61.493   31.553  114.890  165.766   59.486   32.141   96.015   40.471   65.860   18.681 30.15589 44.57447 
1 1 1  -11   10   43 o  136.752   14.161  245.703   47.658  205.331  182.955  248.642   49.362  108.591   43.792  137.357   14.616 -28.76559 46.16702 
1 1 1  -11   10   44 o  136.164   14.289  245.018   47.863  549.974  202.108  226.898   49.265  166.266   46.734  130.396   15.428 35.86964 49.21460 
1 1 1  -11   10   45 o  177.385   15.076  419.452   66.146   0.0000   0.0000  419.452   66.146  ?   ?   177.385   15.076 0.000000 15.07565 
1 1 1  -11   11    1 o  144.178   9.3652  261.202   33.536  240.292   46.237  284.410   48.713  137.747   13.620  150.039   13.134 -12.29121 18.92102 
1 1 1  -11   11    2 o  317.084   11.776  1259.46   93.242  1298.25  131.486  1220.21  132.244  321.021   16.457  311.086   17.089 9.934540 23.72490 
1 1 1  -11   11    3 o  673.286   21.104  5716.90  354.820  5745.70  501.607  5688.06  501.976  671.620   29.908  668.164   30.085 3.455688 42.42171 
1 1 1  -11   11    4 o  305.345   11.154  1167.29   85.051  1055.94  119.513  1281.54  121.061  289.475   16.603  319.573   15.170 -30.09824 22.48933 
1 1 1  -11   11    5 o  568.331   18.045  4060.80  256.098  4070.01  361.741  4051.54  362.616  567.026   25.547  565.701   25.669 1.324646 36.21545 
1 1 1  -11   11    6 o  166.203   13.880  348.672   57.080  393.579   77.586  295.685   84.276  176.068   17.895  151.394   23.017 24.67375 29.15484 
1 1 1  -11   11    7 o  545.429   25.075  3762.65  341.535  3863.81  481.965  3660.61  484.048  548.193   35.396  532.999   36.589 15.19446 50.90818 
1 1 1  -11   11    8 o  664.411   29.718  5612.09  493.073  5516.08  695.989  5708.83  698.638  651.095   43.049  662.794   42.434 -11.69922 60.44703 
1 1 1  -11   11    9 o  387.426   19.073  1888.29  184.528  1872.46  259.104  1904.58  262.860  383.388   27.241  386.632   27.403 -3.243835 38.63920 
1 1 1  -11   11   10 o  119.054   14.320  180.269   41.720  201.606   54.892  151.083   64.198  125.380   18.052  107.229   24.510 18.15102 30.44028 
1 1 1  -11   11   11 o  284.725   16.268  1021.26  115.188  1346.97  162.001  688.208  163.816  326.451   19.968  230.966   29.045 95.48471 35.24673 
1 1 1  -11   11   12 o  192.048   21.746  471.116  102.452   0.0000   0.0000  471.116  102.452  ?   ?   192.048   21.746 0.000000 21.74622 
1 1 1  -11   11   13 o  200.027   19.251  508.395   94.973  508.395   94.973   0.0000   0.0000  200.027   19.251  ?   ?  0.000000 19.25124 
1 1 1  -11   11   14 f  258.411   15.577  841.682  100.048  906.050  138.038  770.448  145.213  267.183   20.854  245.572   23.986 21.61139 31.78391 
1 1 1  -11   11   15 o  240.620   15.152  730.010   90.579  788.181  124.175  663.857  132.419  249.164   20.129  227.782   23.623 21.38214 31.03612 
1 1 1  -11   11   16 f  142.837   13.332  258.178   47.005  204.008   60.206  342.749   75.226  125.667   19.844  163.865   18.719 -38.19770 27.28000 
1 1 1  -11   11   17 o  325.885   17.855  1342.31  144.748  1589.67  202.471  1083.74  207.013  353.348   23.073  289.722   29.003 63.62509 37.06092 
1 1 1  -11   11   18 o  263.085   12.729  868.618   83.623  854.679  101.119  898.776  148.735  260.170   15.637  265.229   22.674 -5.058899 27.54332 
1 1 1  -11   11   19 o  258.608   10.670  838.271   68.904  781.696   96.758  896.483   98.148  248.695   15.660  266.558   14.803 -17.86328 21.54910 
1 1 1  -11   11   20 o  209.390   10.708  551.157   55.806  533.328   78.423  569.445   79.429  205.219   15.416  212.152   15.091 -6.933136 21.57268 
1 1 1  -11   11   21 o  443.488   15.295  2478.28  169.393  2409.45  239.115  2547.64  240.002  434.612   22.105  447.681   21.468 -13.06894 30.81409 
1 1 1  -11   11   22 f  158.910   9.9262  317.809   39.193  303.273   54.794  333.035   56.082  154.540   14.363  162.072   13.994 -7.531525 20.05307 
1 1 1  -11   11   23 o  194.317   10.300  474.945   49.803  469.439   69.948  480.605   70.926  192.458   14.665  194.742   14.693 -2.283524 20.75881 
1 1 1  -11   11   24 o  237.521   10.631  707.997   63.055  700.676   88.770  715.453   89.582  235.194   15.196  237.677   15.172 -2.482407 21.47344 
1 1 1  -11   11   25 o  162.210   9.5747  331.067   38.612  297.695   53.592  367.090   55.680  153.059   14.183  170.278   13.198 -17.21855 19.37321 
1 1 1  -11   11   26 o  117.490   10.620  174.673   30.821  212.171   43.431  136.630   43.745  129.077   13.683  102.437   17.744 26.64040 22.40661 
1 1 1  -11   11   27 o  380.084   13.603  1820.02  129.115  1775.88  182.291  1864.46  182.903  373.160   19.631  383.030   19.122 -9.869629 27.40516 
1 1 1  -11   11   28 o  262.746   15.774  875.609  103.019  936.983  157.236  829.449  136.363  269.297   23.620  253.930   21.713 15.36690 32.08394 
1 1 1  -11   11   29 o  187.494   13.100  444.836   60.951  468.255  119.096  436.525   70.946  188.898   25.932  185.238   15.479 3.659409 30.20033 
1 1 1  -11   11   30 o  322.987   14.350  1316.49  115.740  1319.98  209.785  1314.96  138.771  318.335   26.635  321.571   17.345 -3.236511 31.78465 
1 1 1  -11   11   31 f  324.147   14.639  1327.07  118.500  1436.77  218.117  1281.13  141.148  332.046   26.527  317.117   17.897 14.92908 31.99941 
1 1 1  -11   11   32 o  277.976   13.183  974.229   91.513  1232.73  178.516  882.078  106.584  308.725   23.328  263.354   16.287 45.37112 28.45072 
1 1 1  -11   11   33 o  243.810   13.993  753.296   84.837  602.352  166.683  806.070   98.558  210.988   32.694  251.744   15.757 -40.75607 36.29276 
1 1 1  -11   11   34 o  142.682   13.764  259.643   48.434  306.321  123.473  251.154   52.654  148.457   34.033  139.958   15.315 8.498444 37.32025 
1 1 1  -11   11   35 o  261.689   15.977  874.256  103.906   0.0000   0.0000  874.256  103.906  ?   ?   261.689   15.977 0.000000 15.97687 
1 1 1  -11   11   36 o  121.867   29.801  206.755   89.935   0.0000   0.0000  206.755   89.935  ?   ?   121.867   29.801 0.000000 29.80052 
1 1 1  -11   11   37 o  232.621   12.937  688.914   74.851  926.188  170.557  632.315   83.301  262.364   26.391  222.047   15.113 40.31682 30.41153 
1 1 1  -11   11   38 o   66.459   18.164   59.126   31.004   86.435  129.686   57.471   31.930   91.986   36.949   65.625   18.621 26.36150 41.37634 
1 1 1  -11   11   39 o   55.468   18.184   39.005   29.072  125.618  137.484   34.951   29.744   99.231   38.606   53.605   18.404 45.62562 42.76871 
1 1 1  -11   11   40 o   68.835   18.278   64.413   31.947  285.405  147.260   53.499   32.727  132.314   40.647   63.230   19.109 69.08382 44.91527 
1 1 1  -11   11   41 o  103.629   18.403  145.416   45.879  157.872  155.381  144.227   48.020  103.713   40.839  102.764   19.424 0.9490128 45.22293 
1 1 1  -11   11   42 o   88.283   17.288  105.826   36.750   84.779  165.729  106.914   37.688   92.059   39.680   88.612   17.652 3.446579 43.42939 
1 1 1  -11   11   43 o  108.181   15.839  156.431   41.520  195.245  179.332  154.233   42.680  107.463   43.350  107.120   16.484 0.3429489 46.37807 
1 1 1  -11   11   44 o   48.004   17.524   26.555   27.327   34.952  187.913   26.374   27.621   85.886   39.246   48.021   17.604 37.86515 43.01346 
1 1 1  -11   11   45 o  181.435   14.522  436.124   65.246  648.179  235.605  418.511   67.901  168.527   51.349  177.000   15.519 -8.472809 53.64270 
1 1 1  -11   12    1 o  120.664   9.5084  183.398   28.419  155.253   38.629  216.601   41.957  110.263   14.371  130.748   13.024 -20.48483 19.39422 
1 1 1  -11   12    2 o  375.661   13.120  1770.43  123.082  1770.06  173.539  1770.81  174.594  374.735   18.545  374.794   18.655 -0.5917358E-01 26.30410 
1 1 1  -11   12    3 o  351.230   12.526  1546.69  109.867  1543.02  154.953  1550.41  155.801  349.634   17.806  350.461   17.862 -0.8271484 25.22120 
1 1 1  -11   12    4 o  282.270   11.022  997.908   77.692  968.224  109.077  1028.47  110.687  277.144   15.826  285.706   15.573 -8.561523 22.20332 
1 1 1  -11   12    5 o  350.720   12.540  1541.78  109.826  1525.65  154.888  1558.08  155.752  347.737   17.897  351.440   17.805 -3.703247 25.24578 
1 1 1  -11   12    6 o  108.421   10.083  148.395   26.986  131.317   36.864  168.114   39.611  101.192   15.046  114.911   14.100 -13.71876 20.62027 
1 1 1  -11   12    7 o  469.633   15.533  2769.64  182.168  2709.56  257.143  2830.18  258.109  463.128   22.234  473.423   21.832 -10.29483 31.16123 
1 1 1  -11   12    8 o  583.058   17.840  4276.61  259.755  4004.17  366.590  4551.32  368.112  561.783   26.131  599.483   24.590 -37.69977 35.88172 
1 1 1  -11   12    9 o  476.144   15.733  2847.31  187.071  2806.39  264.123  2888.50  264.995  471.292   22.442  478.199   22.191 -6.907410 31.56102 
1 1 1  -11   12   10 o  327.136   14.036  1342.52  114.661  1352.12  139.664  1322.68  200.820  327.488   17.138  322.105   25.166 5.382660 30.44750 
1 1 1  -11   12   11 o  330.903   16.990  1380.34  139.923  1249.06  194.883  1520.01  201.021  312.919   25.152  345.843   23.414 -32.92392 34.36365 
1 1 1  -11   12   12 o  281.554   15.822  999.088  110.791  955.598  152.885  1047.18  160.777  274.017   22.543  286.910   22.624 -12.89267 31.93752 
1 1 1  -11   12   13 o  488.486   22.773  3019.49  277.796  2935.45  389.518  3106.48  396.294  477.180   32.889  491.123   32.497 -13.94357 46.23572 
1 1 1  -11   12   14 o  241.799   15.121  737.344   90.843  779.862  124.655  689.191  132.660  247.732   20.329  232.153   23.193 15.57932 30.84180 
1 1 1  -11   12   15 o  364.514   15.053  1669.70  137.022  1805.31  167.593  1396.28  237.967  378.559   17.728  329.224   29.250 49.33511 34.20300 
1 1 1  -11   12   16 o  155.665   11.676  305.484   45.058  334.076   53.703  237.488   82.816  162.600   13.343  134.475   25.597 28.12476 28.86572 
1 1 1  -11   12   17 o  548.577   17.912  3796.07  245.382  3791.27  346.707  3800.90  347.339  545.410   25.456  546.096   25.470 -0.6860962 36.01030 
1 1 1  -11   12   18 o  357.877   13.147  1608.59  117.497  1631.68  165.817  1585.32  166.516  358.928   18.563  353.681   18.922 5.246216 26.50754 
1 1 1  -11   12   19 o  259.322   11.228  843.510   72.708  843.559  102.281  843.459  103.378  258.254   15.938  258.202   16.114 0.5123901E-01 22.66405 
1 1 1  -11   12   20 o  216.238   10.112  586.145   54.606  579.445   76.536  593.092   77.933  214.093   14.399  216.593   14.492 -2.499435 20.42959 
1 1 1  -11   12   21 o  191.740   10.286  462.337   49.070  438.846   68.687  486.822   70.127  186.048   14.909  196.107   14.421 -10.05815 20.74273 
1 1 1  -11   12   22 o  133.066   10.249  223.382   33.793  233.127   46.930  212.887   48.701  135.352   14.091  129.029   15.420 6.323547 20.88876 
1 1 1  -11   12   23 o  198.371   10.625  495.205   52.442  471.030   73.550  520.205   74.794  192.611   15.421  202.585   14.889 -9.973846 21.43560 
1 1 1  -11   12   24 o  275.410   11.440  952.771   78.681  938.152  110.817  967.631  111.732  271.959   16.394  276.245   16.269 -4.286438 23.09634 
1 1 1  -11   12   25 o  219.642   10.721  605.622   58.802  577.122   82.608  634.894   83.720  213.215   15.624  223.810   15.067 -10.59485 21.70549 
1 1 1  -11   12   26 o  313.939   12.268  1239.53   96.175  1219.64  135.675  1259.62  136.352  309.749   17.613  314.865   17.409 -5.116608 24.76492 
1 1 1  -11   12   27 o  358.405   13.427  1618.09  120.168  1518.69  169.608  1718.28  170.281  344.922   19.774  367.399   18.621 -22.47662 27.16132 
1 1 1  -11   12   28 o  126.321   15.854  204.768   48.908  176.900   87.583  217.396   58.957  114.393   30.211  129.548   18.771 -15.15483 35.56795 
1 1 1  -11   12   29 o  190.207   15.776  460.466   74.259  356.623  119.114  526.485   94.975  162.907   30.398  202.652   18.989 -39.74443 35.84167 
1 1 1  -11   12   30 o  503.519   19.993  3231.80  251.391  3141.30  440.325  3275.57  306.198  483.696   36.729  504.451   24.307 -20.75519 44.04352 
1 1 1  -11   12   31 o  437.948   16.841  2431.63  184.180  2683.46  329.422  2317.11  222.145  452.346   29.321  425.775   20.893 26.57111 36.00328 
1 1 1  -11   12   32 o  196.048   13.053  486.598   63.539  586.419  133.598  457.420   72.230  211.369   25.850  189.535   15.394 21.83395 30.08606 
1 1 1  -11   12   33 o  266.694   14.225  901.377   94.397  901.946  182.324  901.169  110.337  261.169   28.414  265.926   16.700 -4.756653 32.95853 
1 1 1  -11   12   34 o  177.220   14.193  399.803   62.283  314.912  138.688  421.249   69.708  149.339   37.299  181.607   15.520 -32.26810 40.39940 
1 1 1  -11   12   35 o  308.843   15.439  1212.09  119.071  1096.40  229.245  1254.83  139.341  283.635   32.982  312.827   17.911 -29.19272 37.53172 
1 1 1  -11   12   37 o   79.809   18.579   85.375   36.335   90.284  130.523   84.963   37.831   93.914   37.287   79.509   19.258 14.40569 41.96624 
1 1 1  -11   12   38 o  131.265   14.819  223.158   47.726  105.314  139.829  238.696   50.775   97.149   38.586  135.670   15.251 -38.52073 41.49089 
1 1 1  -11   12   39 o  197.728   13.311  501.845   65.342  510.256  167.501  500.336   70.965  183.239   37.858  196.916   14.534 -13.67632 40.55220 
1 1 1  -11   12   40 o   99.168   16.113  130.523   38.531  206.986  149.695  125.098   39.875  114.784   41.136   96.682   17.144 18.10194 44.56551 
1 1 1  -11   12   41 o   61.520   18.692   50.743   31.252 -13.8712  152.161   53.589   31.933   78.631   35.692   63.039   18.837 15.59233 40.35733 
1 1 1  -11   12   42 o   63.563   19.789   54.520   34.770 -29.8435  161.347   58.629   35.607   77.958   35.897   65.611   19.956 12.34678 41.07060 
1 1 1  -11   12   43 o  127.191   14.964  213.722   46.620  377.283  187.303  202.920   48.135  140.093   46.168  123.424   15.994 16.66924 48.85948 
1 1 1  -11   12   44 o  215.788   14.045  609.855   75.274  913.797  231.876  574.052   79.584  227.507   42.373  208.355   15.405 19.15181 45.08662 
1 1 1  -11   12   45 o   71.184   19.159   71.660   34.808  179.389  218.097   68.845   35.260  100.971   44.480   69.742   19.491 31.22871 48.56320 
1 1 1  -11   13    1 o  275.752   10.954  953.391   75.432  888.765  105.616  1020.68  107.770  265.143   16.027  284.369   15.232 -19.22592 22.11009 
1 1 1  -11   13    2 o  140.653   9.3090  248.794   32.512  202.526   44.329  302.651   47.827  126.139   14.327  154.800   12.478 -28.66100 18.99941 
1 1 1  -11   13    3 o  326.711   11.960  1338.71   97.573  1299.99  137.233  1378.29  138.759  320.743   17.196  330.358   16.876 -9.614929 24.09409 
1 1 1  -11   13    4 o  204.076   9.6749  521.464   49.305  505.805   68.738  538.058   70.762  200.228   13.832  206.546   13.799 -6.318497 19.53798 
1 1 1  -11   13    5 f  200.895   9.6706  505.284   48.515  513.396   67.735  496.740   69.520  201.795   13.520  198.393   14.125 3.402542 19.55230 
1 1 1  -11   13    6 o  263.641   10.725  870.670   70.608  854.952   99.177  886.826  100.547  260.370   15.321  265.208   15.246 -4.838135 21.61432 
1 1 1  -11   13    7 o  676.075   21.035  5776.99  355.138  5481.91  501.315  6074.25  503.173  654.129   30.690  689.378   29.229 -35.24945 42.38152 
1 1 1  -11   13    8 f  107.535   10.298  146.121   27.316  125.910   37.374  169.301   40.024   98.902   15.654  115.270   14.205 -16.36851 21.13810 
1 1 1  -11   13    9 o  150.997   9.5924  286.539   35.982  274.767   49.990  299.195   51.833  147.334   13.746  153.813   13.636 -6.479172 19.36212 
1 1 1  -11   13   10 o  606.617   19.328  4641.83  292.793  4631.46  413.755  4652.24  414.388  602.812   27.486  604.172   27.466 -1.359985 38.85691 
1 1 1  -11   13   11 o  324.789   17.420  1331.96  140.773   0.0000   0.0000  1331.96  140.773  ?   ?   324.789   17.420 0.000000 17.42028 
1 1 1  -11   13   12 o  671.165   30.287  5771.27  507.624  5771.27  507.624   0.0000   0.0000  671.165   30.287  ?   ?  0.000000 30.28737 
1 1 1  -11   13   13 o  330.482   12.257  1369.69  101.153  1401.67  142.402  1337.12  143.710  333.184   17.174  325.275   17.760 7.908752 24.70487 
1 1 1  -11   13   14 o  360.120   13.084  1627.67  117.660  1686.66  165.697  1567.67  167.105  365.716   18.143  351.895   19.088 13.82068 26.33484 
1 1 1  -11   13   15 o  147.436   9.7800  273.424   35.803  298.194   49.983  247.322   51.310  153.563   13.162  139.462   14.967 14.10042 19.93090 
1 1 1  -11   13   16 o  370.069   13.222  1719.93  122.191  1793.34  172.602  1646.18  173.006  376.876   18.340  360.375   19.295 16.50089 26.62018 
1 1 1  -11   13   17 o  546.881   17.807  3775.89  243.185  3916.31  343.786  3635.26  344.045  554.073   24.847  533.364   25.831 20.70819 35.84137 
1 1 1  -11   13   18 o  459.000   15.584  2654.24  178.627  2748.42  252.396  2559.73  252.838  465.116   21.731  447.986   22.675 17.12964 31.40646 
1 1 1  -11   13   19 f  410.438   14.456  2120.58  148.169  2141.31  209.258  2099.73  209.829  410.791   20.399  406.168   20.757 4.623413 29.10273 
1 1 1  -11   13   20 o  437.586   14.857  2412.55  162.343  2427.88  229.140  2397.09  230.038  437.016   20.997  434.155   21.218 2.861816 29.85076 
1 1 1  -11   13   21 o  294.138   11.871  1086.80   87.193  1114.39  122.811  1058.75  123.814  296.534   16.652  288.858   17.243 7.676422 23.97143 
1 1 1  -11   13   22 o  292.995   11.898  1078.64   87.050  1059.03  122.574  1098.60  123.648  288.877   17.067  294.289   16.896 -5.411774 24.01613 
1 1 1  -11   13   23 o  112.361   10.798  159.917   29.925  156.389   41.033  163.925   43.737  110.306   15.309  112.846   15.966 -2.539680 22.12024 
1 1 1  -11   13   24 o  306.741   11.797  1182.51   90.363  1158.12  127.446  1207.16  128.141  302.057   16.965  308.484   16.697 -6.426453 23.80290 
1 1 1  -11   13   25 o  318.851   12.994  1279.71  103.459  1328.15  146.079  1230.96  146.549  323.099   18.179  310.756   18.976 12.34299 26.27844 
1 1 1  -11   13   26 o  239.388   10.766  719.594   64.360  707.698   90.460  731.788   91.589  236.215   15.420  240.236   15.347 -4.021591 21.75574 
1 1 1  -11   13   27 o  367.884   13.035  1704.13  119.747  1676.16  168.978  1732.34  169.719  362.783   18.716  369.382   18.399 -6.598358 26.24561 
1 1 1  -11   13   28 o  290.797   17.531  1075.93  126.711  920.388  187.314  1207.15  172.049  264.652   28.808  306.217   22.660 -41.56488 36.65255 
1 1 1  -11   13   29 o  185.310   16.654  438.233   76.244  147.469  118.304  644.803   99.715  107.785   36.709  224.719   17.918 -116.9345 40.84857 
1 1 1  -11   13   30 f  289.548   15.435  1062.89  111.202  698.305  198.947  1228.56  134.107  226.422   36.421  310.751   17.351 -84.32878 40.34253 
1 1 1  -11   13   31 o  250.942   14.936  798.586   93.173  554.019  171.084  901.709  111.093  201.501   35.286  266.178   16.800 -64.67654 39.08093 
1 1 1  -11   13   32 o  307.350   14.663  1193.99  112.542  1264.04  206.949  1164.58  134.105  310.769   26.933  302.159   17.852 8.609955 32.31262 
1 1 1  -11   13   33 o  165.238   14.167  347.528   57.892  280.007  127.858  364.941   64.928  141.595   36.062  169.033   15.557 -27.43810 39.27430 
1 1 1  -11   13   34 f  264.440   13.941  886.847   91.734  906.947  181.482  879.949  106.316  261.339   28.259  262.669   16.289 -1.329773 32.61699 
1 1 1  -11   13   35 o  271.205   16.726  941.061  112.724   0.0000   0.0000  941.061  112.724  ?   ?   271.205   16.726 0.000000 16.72600 
1 1 1  -11   13   36 o  102.890   17.234  138.956   42.714   0.0000   0.0000  138.956   42.714  ?   ?   102.890   17.234 0.000000 17.23408 
1 1 1  -11   13   37 o  127.099   30.620  228.348   96.033   0.0000   0.0000  228.348   96.033  ?   ?   127.099   30.620 0.000000 30.61996 
1 1 1  -11   13   38 o  101.204   16.736  135.164   40.819   1.7262  133.762  148.867   42.863   79.191   34.862  106.332   16.692 -27.14081 38.65226 
1 1 1  -11   13   39 o   56.500   18.708   40.283   30.741  185.097  141.379   33.097   31.495  111.733   39.984   53.273   18.892 58.46069 44.22265 
1 1 1  -11   13   40 o   71.023   18.892   68.750   34.091 -75.7071  145.976   77.083   35.060   71.484   33.336   75.159   18.744 -3.674667 38.24446 
1 1 1  -11   13   41 o   71.849   18.873   70.805   34.300   31.993  157.568   72.736   35.143   85.234   37.664   72.771   19.098 12.46280 42.22929 
1 1 1  -11   13   42 f   46.763   17.678   22.332   28.267 -29.3012  162.880   23.935   28.702   78.393   36.086   47.664   17.857 30.72897 40.26225 
1 1 1  -11   13   43 o  201.148   17.645  540.405   87.735  746.078  213.622  498.674   96.225  208.051   42.552  191.051   20.489 16.99973 47.22826 
1 1 1  -11   13   44 o   70.648   18.740   69.638   33.603  123.108  194.185   67.987   34.118   96.612   42.280   69.772   19.047 26.83984 46.37241 
1 1 1  -11   13   45 o   76.880   18.922   83.371   36.081  123.292  219.124   82.259   36.581   95.633   43.174   76.258   19.217 19.37426 47.25791 
1 1 1  -11   14    1 o  193.167   12.031  470.473   57.746  576.262   95.979  410.454   72.294  212.614   18.254  179.608   16.296 33.00647 24.47001 
1 1 1  -11   14    2 o  515.744   23.884  3395.58  307.609  3223.25  434.498  3568.75  435.554  494.979   35.385  522.247   33.576 -27.26782 48.77957 
1 1 1  -11   14    3 o  536.430   17.439  3633.68  233.605  3672.57  330.018  3594.63  330.718  536.304   24.642  530.426   24.968 5.878174 35.08026 
1 1 1  -11   14    4 o  180.431   9.4306  408.878   42.344  378.502   58.521  442.257   61.346  173.008   13.657  187.164   13.210 -14.15662 19.00030 
1 1 1  -11   14    5 o  426.050   14.418  2282.58  153.400  2260.16  216.396  2305.22  217.487  422.424   20.514  426.643   20.414 -4.219482 28.94022 
1 1 1  -11   14    6 o   95.047   10.707  114.646   24.971  101.311   33.715  130.849   37.164   88.399   15.856  100.880   15.226 -12.48136 21.98266 
1 1 1  -11   14    7 o  337.992   12.223  1433.30  103.169  1368.64  145.053  1499.49  146.768  328.942   17.724  344.923   17.040 -15.98080 24.58629 
1 1 1  -11   14    8 o  175.727   9.3852  387.744   41.035  394.669   56.940  380.262   59.191  176.844   12.984  173.451   13.779 3.393295 18.93302 
1 1 1  -11   14    9 o  286.060   11.066  1025.70   79.051  976.254  110.868  1076.84  112.747  278.036   16.036  292.157   15.509 -14.12106 22.30921 
1 1 1  -11   14   10 o  460.285   17.808  2671.97  204.685  2515.55  353.810  2750.66  250.940  440.497   32.392  465.929   21.567 -25.43250 38.91504 
1 1 1  -11   14   11 o  322.145   13.949  1303.84  112.216  1291.45  135.709  1330.64  199.543  319.677   17.062  322.332   24.986 -2.654663 30.25517 
1 1 1  -11   14   12 o  389.117   13.669  1902.05  132.821  1920.45  187.249  1883.40  188.431  389.840   19.235  385.484   19.640 4.356293 27.48985 
1 1 1  -11   14   13 o  467.821   15.732  2755.20  183.782  2862.05  259.584  2647.82  260.233  474.989   21.885  456.551   22.826 18.43805 31.62204 
1 1 1  -11   14   14 o  234.859   10.397  691.270   60.977  688.195   85.330  694.479   87.168  233.452   14.712  234.474   14.965 -1.022354 20.98592 
1 1 1  -11   14   15 o  295.000   11.691  1091.88   86.125  1092.06  120.769  1091.69  122.857  293.864   16.524  293.749   16.818 0.1155090 23.57775 
1 1 1  -11   14   16 o  191.973   9.8591  463.011   47.104  455.532   65.651  470.946   67.623  189.823   13.947  192.994   14.130 -3.170563 19.85388 
1 1 1  -11   14   17 o  253.163   10.931  803.933   69.106  936.143   97.577  670.885   97.886  272.358   14.398  229.875   17.176 42.48247 22.41258 
1 1 1  -11   14   18 o  169.765   9.6035  362.326   40.545  354.875   56.290  370.360   58.451  167.428   13.580  171.028   13.804 -3.599625 19.36397 
1 1 1  -11   14   19 o  260.195   11.466  849.988   74.503  928.192  105.257  771.464  105.471  270.827   15.630  246.452   17.246 24.37447 23.27511 
1 1 1  -11   14   20 o  294.079   11.739  1086.31   86.207  1091.43  121.360  1081.10  122.478  293.435   16.630  291.975   16.870 1.459808 23.68892 
1 1 1  -11   14   21 o  365.315   13.313  1679.65  121.450  1702.46  171.234  1656.56  172.283  365.887   18.805  360.771   19.192 5.116028 26.86919 
1 1 1  -11   14   22 o  562.634   18.559  4015.57  260.758  4134.90  368.590  3896.00  368.945  566.634   26.049  549.474   26.888 17.16034 37.43700 
1 1 1  -11   14   23 o  265.408   11.538  885.076   76.473  843.565  107.342  927.860  108.975  257.689   16.772  270.457   16.210 -12.76776 23.32557 
1 1 1  -11   14   24 o  298.075   12.134  1117.26   90.319  1134.46  127.247  1099.80  128.218  298.847   17.122  294.108   17.538 4.739075 24.51002 
1 1 1  -11   14   25 o  352.503   13.186  1564.76  116.070  1586.74  163.710  1542.54  164.590  353.013   18.637  347.910   19.017 5.102905 26.62648 
1 1 1  -11   14   26 f  380.398   14.282  1825.16  135.670  1769.63  191.332  1881.31  192.406  371.979   20.679  383.801   20.146 -11.82199 28.87004 
1 1 1  -11   14   27 o  226.482   10.122  643.773   57.245  585.879   80.007  704.502   81.942  214.892   15.003  235.974   13.968 -21.08200 20.49877 
1 1 1  -11   14   28 o  307.992   17.986  1207.95  137.731  1009.48  200.988  1383.66  189.115  276.861   29.526  327.616   23.267 -50.75482 37.59214 
1 1 1  -11   14   29 o  137.458   16.389  242.465   55.146  133.223   96.561  295.342   67.179  101.512   33.134  151.480   18.119 -49.96821 37.76444 
1 1 1  -11   14   30 o  119.031   11.542  179.809   33.877  167.454   46.592  193.668   49.346  113.754   16.917  122.586   16.542 -8.832344 23.66048 
1 1 1  -11   14   31 o  152.984   13.868  297.690   52.405  352.959  111.063  281.861   59.438  162.456   28.412  148.297   16.320 14.15900 32.76528 
1 1 1  -11   14   32 o  375.233   17.082  1787.91  160.063  1633.73  285.727  1858.43  193.229  349.450   33.139  380.704   20.399 -31.25461 38.91439 
1 1 1  -11   14   33 o  207.431   14.206  546.450   73.142  390.540  144.967  599.691   84.715  167.620   35.725  216.940   15.745 -49.32018 39.04112 
1 1 1  -11   14   34 o  109.931   16.848  157.145   44.777   52.102  119.568  174.279   48.290   86.208   35.169  115.791   17.225 -29.58253 39.16082 
1 1 1  -11   14   35 o  155.125   34.944  339.462  132.112  339.462  132.112   0.0000   0.0000  155.125   34.944  ?   ?  0.000000 34.94353 
1 1 1  -11   14   36 f   85.627   18.706   97.816   38.879   40.444  121.458  104.366   41.038   83.525   34.889   88.404   19.144 -4.878532 39.79582 
1 1 1  -11   14   37 o   90.432   31.635  105.772   88.080   0.0000   0.0000  105.772   88.080  ?   ?    90.432   31.635 0.000000 31.63513 
1 1 1  -11   14   38 o  157.024   23.034  332.503   87.635  364.368  149.968  315.979  107.993  154.923   38.838  149.352   29.997 5.570892 49.07346 
1 1 1  -11   14   39 o   91.987   17.904  113.568   39.648  103.367  140.197  114.454   41.335   95.445   38.390   92.128   18.608 3.316971 42.66182 
1 1 1  -11   14   40 o   94.269   17.364  119.261   39.369  313.948  150.020  104.862   40.799  138.872   40.659   87.674   19.170 51.19779 44.95123 
1 1 1  -11   14   41 o  147.170   14.698  282.820   53.294  446.777  172.036  265.415   56.051  163.355   41.954  141.913   16.101 21.44168 44.93750 
1 1 1  -11   14   42 o   81.961   19.572   93.048   39.506 -16.7907  168.878   99.407   40.633   80.844   37.040   84.746   19.592 -3.901367 41.90240 
1 1 1  -11   14   43 o  136.578   18.508  252.510   61.498  232.201  192.145  254.829   64.913  113.886   45.233  136.598   19.591 -22.71284 49.29290 
1 1 1  -11   14   44 o   47.048   18.130   21.869   30.095  157.542  197.080   18.629   30.452  101.096   43.420   45.882   18.075 55.21424 47.03185 
1 1 1  -11   14   45 f  105.878   17.395  153.601   44.394  341.415  221.855  145.767   45.310  122.052   48.564  102.588   18.361 19.46366 51.91872 
1 1 1  -11   15    1 o  217.055   10.164  591.214   55.092  575.270   76.590  608.307   79.304  213.082   14.480  219.122   14.576 -6.039566 20.54572 
1 1 1  -11   15    2 o  353.656   12.826  1573.56  113.271  1604.77  159.386  1541.71  161.004  355.404   18.018  348.142   18.587 7.261993 25.88642 
1 1 1  -11   15    3 o  454.579   15.300  2606.80  173.682  2560.41  244.794  2653.82  246.461  448.127   21.875  456.335   21.628 -8.207458 30.76174 
1 1 1  -11   15    4 o  260.233   14.931  856.255   96.624  789.813  136.116  923.745  137.185  248.005   22.214  268.854   20.590 -20.84924 30.28863 
1 1 1  -11   15    5 f  531.676   24.655  3616.77  327.344  3570.37  462.855  3663.20  463.013  520.280   35.844  527.400   35.361 -7.119629 50.35057 
1 1 1  -11   15    6 o  392.647   13.684  1939.17  134.177  1932.98  188.959  1945.47  190.561  390.587   19.373  391.817   19.476 -1.229614 27.47058 
1 1 1  -11   15    7 o  357.461   12.788  1605.45  114.151  1596.69  160.714  1614.37  162.164  354.905   18.195  356.850   18.259 -1.945374 25.77689 
1 1 1  -11   15    8 o  505.280   16.546  3220.62  208.768  3160.13  294.639  3281.62  295.849  497.847   23.700  507.483   23.345 -9.635773 33.26674 
1 1 1  -11   15    9 o  212.202   10.052  564.354   53.269  583.755   74.489  544.048   76.208  215.005   13.949  207.380   14.813 7.624268 20.34718 
1 1 1  -11   15   10 f  199.119   11.617  499.192   57.515  578.507   97.794  457.251   71.114  213.117   18.561  189.978   15.115 23.13847 23.93686 
1 1 1  -11   15   11 o  217.618   10.362  593.661   56.312  617.621   77.915  567.459   81.479  221.139   14.184  211.687   15.522 9.451675 21.02649 
1 1 1  -11   15   12 o  428.618   14.604  2312.18  156.316  2335.74  220.720  2288.47  221.409  429.116   20.598  424.660   20.879 4.455627 29.32881 
1 1 1  -11   15   13 o  254.734   10.573  813.651   67.255  766.928   93.844  862.991   96.436  246.273   15.335  261.398   14.835 -15.12418 21.33651 
1 1 1  -11   15   14 o  219.929   10.232  606.387   56.197  593.796   78.459  619.652   80.530  216.704   14.583  221.378   14.650 -4.674973 20.67110 
1 1 1  -11   15   15 o  195.227   9.9463  478.986   48.329  513.443   67.648  443.065   69.069  201.608   13.515  186.968   14.918 14.64067 20.12931 
1 1 1  -11   15   16 o  178.649   10.060  401.405   44.698  398.219   61.606  404.946   64.951  177.331   14.026  178.713   14.684 -1.381744 20.30652 
1 1 1  -11   15   17 o  330.330   12.168  1370.99  100.377  1371.80  141.100  1370.16  142.826  328.964   17.236  328.700   17.463 0.2637939 24.53648 
1 1 1  -11   15   18 o  149.612   10.056  281.968   37.351  293.829   52.149  269.473   53.524  152.149   13.878  145.456   14.948 6.692841 20.39721 
1 1 1  -11   15   19 o  227.780   10.462  651.008   59.506  644.962   83.236  657.328   85.104  225.685   14.852  227.806   15.045 -2.120758 21.14089 
1 1 1  -11   15   20 o  231.491   10.408  672.450   60.166  694.940   84.385  649.195   85.807  234.349   14.491  226.307   15.273 8.042252 21.05333 
1 1 1  -11   15   21 o  298.336   12.304  1119.25   91.664  1235.80  129.798  1003.29  129.467  312.122   16.714  280.603   18.581 31.51935 24.99232 
1 1 1  -11   15   22 o  361.392   12.929  1643.83  116.678  1666.99  164.283  1620.25  165.741  362.069   18.228  356.787   18.667 5.282257 26.09090 
1 1 1  -11   15   23 o  243.289   10.729  743.203   65.182  754.748   91.261  731.180   93.130  244.063   15.047  240.072   15.620 3.991226 21.68844 
1 1 1  -11   15   24 o  184.963   10.336  430.749   47.549  423.531   66.373  438.358   68.150  182.629   14.678  185.789   14.812 -3.160126 20.85258 
1 1 1  -11   15   25 f  632.667   20.631  5105.07  325.952  5354.75  460.925  4855.31  461.005  641.614   28.768  609.641   30.282 31.97314 41.76804 
1 1 1  -11   15   26 o  170.272   10.639  365.484   45.010  382.685   62.691  347.185   64.662  173.534   14.603  164.959   15.894 8.575027 21.58367 
1 1 1  -11   15   27 o  172.738   9.8968  375.648   42.513  363.059   58.767  389.470   61.576  169.099   14.044  175.149   14.201 -6.050003 19.97228 
1 1 1  -11   15   28 o  133.227   16.387  227.957   53.368  143.558   92.687  269.816   65.275  104.158   32.289  144.602   18.501 -40.44367 37.21407 
1 1 1  -11   15   29 o  154.251   16.010  304.244   60.771  206.037  101.808  358.605   75.746  122.811   32.639  166.994   18.473 -44.18235 37.50375 
1 1 1  -11   15   30 o  222.402   11.325  623.516   62.686  636.775   88.080  609.907   89.233  223.748   15.867  218.802   16.452 4.946167 22.85659 
1 1 1  -11   15   31 o  154.033   10.790  299.636   41.242  287.829   57.268  312.358   59.442  150.040   15.508  156.386   15.422 -6.345352 21.87105 
1 1 1  -11   15   32 o  233.131   14.654  689.910   84.875  534.822  160.391  750.231  100.028  198.178   33.611  242.593   16.612 -44.41454 37.49163 
1 1 1  -11   15   33 o  124.184   16.858  199.429   50.927  -1.6215  118.034  245.419   56.452   76.780   33.290  138.014   16.721 -61.23434 37.25321 
1 1 1  -11   15   34 o  232.475   15.233  688.623   87.946  318.989  167.702  828.839  103.289  148.102   42.882  254.771   16.321 -106.6687 45.88269 
1 1 1  -11   15   35 o  146.240   15.077  274.570   54.269  210.131  124.996  289.538   60.243  121.912   37.448  149.858   16.364 -27.94552 40.86765 
1 1 1  -11   15   36 o  116.354   16.537  176.410   46.698  146.012  123.575  181.474   50.438  105.243   37.412  117.697   17.710 -12.45393 41.39154 
1 1 1  -11   15   37 o  118.476   17.316  184.137   49.717   0.0000   0.0000  184.137   49.717  ?   ?   118.476   17.316 0.000000 17.31567 
1 1 1  -11   15   38 o  113.304   33.033  186.772   99.208   0.0000   0.0000  186.772   99.208  ?   ?   113.304   33.033 0.000000 33.03275 
1 1 1  -11   15   39 o  117.812   28.100  198.619   81.509  183.978  144.810  205.409   98.614  111.325   40.385  117.828   32.473 -6.503639 51.82076 
1 1 1  -11   15   40 o  147.555   14.678  283.391   53.365  263.778  158.821  285.887   56.659  126.350   42.535  147.833   15.583 -21.48325 45.29991 
1 1 1  -11   15   41 o   95.575   17.449  123.163   40.111  143.036  160.405  121.838   41.427  101.677   41.005   94.778   18.165 6.898575 44.84777 
1 1 1  -11   15   42 o   61.450   19.682   50.247   34.174  137.069  165.802   46.395   34.924   99.919   41.162   59.748   19.947 40.17103 45.74073 
1 1 1  -11   15   43 o  135.599   15.551  243.454   51.705  293.794  194.631  239.632   53.632  123.842   46.480  134.123   16.351 -10.28024 49.27245 
1 1 1  -11   15   44 o   60.738   20.434   48.925   36.652  110.366  200.696   46.805   37.279   95.770   42.404   59.905   20.602 35.86511 47.14379 
1 1 1  -11   15   45 o   83.576   19.379   98.651   39.658 -17.1843  217.222  102.646   40.336   83.702   39.544   85.282   19.380 -1.580460 44.03799 
1 1 1  -11   16    1 o  418.578   14.544  2213.55  152.025  2266.92  214.324  2159.50  215.674  421.228   20.375  410.281   21.122 10.94647 29.34799 
1 1 1  -11   16    2 o  235.193   10.580  694.812   62.137  728.167   86.758  659.682   89.037  239.708   14.563  227.825   15.747 11.88249 21.44824 
1 1 1  -11   16    3 o  266.434   10.826  891.678   72.029  866.044  100.610  918.631  103.166  261.319   15.487  269.181   15.412 -7.863037 21.84864 
1 1 1  -11   16    4 o  570.330   18.287  4128.42  260.447  3966.18  367.496  4292.13  369.165  554.040   26.562  577.035   25.619 -22.99451 36.90380 
1 1 1  -11   16    5 o  277.908   10.962  969.837   76.071  918.861  106.393  1023.16  108.810  269.211   15.896  284.261   15.386 -15.05014 22.12287 
1 1 1  -11   16    6 o  199.753   11.295  502.703   56.112  472.094   68.959  562.683   96.533  193.004   14.412  209.832   18.616 -16.82748 23.54264 
1 1 1  -11   16    7 o  266.188   15.188  896.670  100.540  829.268  141.862  964.688  142.510  253.883   22.613  274.520   20.946 -20.63708 30.82344 
1 1 1  -11   16    8 o  631.159   28.873  5155.97  455.078  4927.94  643.335  5384.35  643.822  603.067   43.001  632.749   40.966 -29.68134 59.39066 
1 1 1  -11   16    9 o  266.649   15.731  900.289  104.283   0.0000   0.0000  900.289  104.283  ?   ?   266.649   15.731 0.000000 15.73077 
1 1 1  -11   16   10 o  239.542   14.669  725.686   87.326  725.686   87.326   0.0000   0.0000  239.542   14.669  ?   ?  0.000000 14.66927 
1 1 1  -11   16   11 o  249.433   10.678  780.616   66.509  777.572   92.715  783.843   95.462  247.912   15.047  248.827   15.439 -0.9150391 21.55923 
1 1 1  -11   16   12 o  389.645   13.546  1910.55  131.802  1863.86  185.497  1958.16  187.308  382.797   19.469  392.961   19.088 -10.16446 27.26542 
1 1 1  -11   16   13 o  436.726   14.810  2403.99  161.514  2367.80  227.634  2440.67  229.204  431.335   21.133  437.991   20.956 -6.655579 29.76198 
1 1 1  -11   16   14 o  138.844   10.123  243.046   34.857  257.254   48.119  227.359   50.561  142.313   13.710  133.380   15.467 8.933441 20.66868 
1 1 1  -11   16   15 o  314.308   11.581  1240.83   90.897  1186.29  127.261  1297.64  129.874  305.902   16.723  320.093   16.302 -14.19135 23.35392 
1 1 1  -11   16   16 o  244.834   10.662  752.305   65.186  753.656   90.949  750.877   93.476  243.997   14.999  243.442   15.456 0.5551300 21.53788 
1 1 1  -11   16   17 o  561.776   18.120  4000.20  254.193  4004.00  358.610  3996.37  360.362  557.815   25.744  557.183   25.899 0.6318970 36.51781 
1 1 1  -11   16   18 o  197.486   10.274  490.686   50.494  524.839   70.336  454.366   72.534  203.634   13.915  189.084   15.498 14.55078 20.82805 
1 1 1  -11   16   19 o  269.602   11.450  913.245   77.085  980.308  108.167  844.037  109.883  278.152   15.636  257.634   17.178 20.51801 23.22868 
1 1 1  -11   16   20 f  187.372   9.9958  441.724   46.601  448.543   64.876  434.456   66.983  188.153   13.906  185.017   14.617 3.135437 20.17516 
1 1 1  -11   16   21 o  157.021   10.431  310.843   40.666  332.201   56.374  287.670   58.720  161.725   14.100  150.042   15.915 11.68314 21.26237 
1 1 1  -11   16   22 o  305.852   12.113  1176.59   92.516  1276.45  130.501  1075.69  131.176  317.157   16.535  290.583   18.169 26.57327 24.56605 
1 1 1  -11   16   23 o  279.163   12.042  980.207   83.944  1093.71  118.714  866.696  118.716  293.572   16.257  260.634   18.357 32.93829 24.52088 
1 1 1  -11   16   24 o  163.604   10.538  337.475   42.823  334.062   59.185  341.226   62.037  162.011   14.792  163.632   15.362 -1.620956 21.32591 
1 1 1  -11   16   25 o  318.079   12.701  1273.81  100.881  1320.04  142.051  1226.77  143.291  322.072   17.730  310.162   18.586 11.91061 25.68666 
1 1 1  -11   16   26 o  146.922   10.625  272.496   38.720  274.581   53.375  270.179   56.257  146.747   14.766  145.345   15.752 1.402222 21.59039 
1 1 1  -11   16   27 o  253.188   15.969  814.247  100.448  811.411  151.275  816.483  134.337  249.891   24.559  251.790   21.574 -1.898376 32.68897 
1 1 1  -11   16   28 o  274.279   16.529  956.357  112.685  939.548  168.292  970.018  151.715  268.640   25.388  274.242   22.348 -5.601410 33.82237 
1 1 1  -11   16   29 o  316.975   18.164  1281.13  143.180  1169.91  210.938  1376.15  194.977  298.268   28.674  326.023   24.120 -27.75436 37.46936 
1 1 1  -11   16   30 o  135.245   11.326  231.611   37.899  244.563   52.214  217.189   55.096  138.215   15.389  129.676   17.458 8.538574 23.27242 
1 1 1  -11   16   31 o  371.832   14.055  1746.21  130.502  1715.56  184.452  1776.94  184.665  365.786   20.272  372.455   19.927 -6.668884 28.42621 
1 1 1  -11   16   32 o  293.771   12.264  1087.55   89.970  1122.56  127.222  1052.53  127.251  296.659   17.248  287.014   17.843 9.644928 24.81639 
1 1 1  -11   16   33 o  347.058   19.374  1545.86  167.239   0.0000   0.0000  1545.86  167.239  ?   ?   347.058   19.374 0.000000 19.37409 
1 1 1  -11   16   34 o  157.533   33.384  345.484  127.249  345.484  127.249   0.0000   0.0000  157.533   33.384  ?   ?  0.000000 33.38413 
1 1 1  -11   16   35 o  165.302   14.922  350.128   60.933  222.233  132.059  384.722   68.682  124.713   38.522  172.992   16.083 -48.27855 41.74489 
1 1 1  -11   16   36 o  235.135   14.047  705.543   82.103  786.228  171.025  681.379   93.593  240.190   29.108  230.167   16.391 10.02382 33.40559 
1 1 1  -11   16   37 o  253.753   14.487  824.648   91.418  930.375  188.159  791.980  104.592  259.840   29.522  247.481   17.028 12.35878 34.08073 
1 1 1  -11   16   38 o  126.330   33.349  234.579  106.750   0.0000   0.0000  234.579  106.750  ?   ?   126.330   33.349 0.000000 33.34890 
1 1 1  -11   16   39 o  176.876   23.013  425.001   99.240  469.292  162.452  398.633  125.347  174.431   38.341  165.716   31.440 8.714737 49.58305 
1 1 1  -11   16   40 o  170.410   15.545  379.134   65.424  338.259  162.754  387.011   71.451  142.143   42.538  171.516   16.902 -29.37270 45.77246 
1 1 1  -11   16   41 o   65.049   20.660   56.679   37.715 -215.8362  149.810   75.119   38.970   60.474   29.599   73.725   20.450 -13.25091 35.97641 
1 1 1  -11   16   42 o  127.498   29.297  242.405   91.318  390.318  180.521  191.540  105.861  146.655   44.996  110.161   34.567 36.49369 56.74100 
1 1 1  -11   16   43 o  111.697   18.212  169.674   49.047  425.460  189.126  151.230   50.785  149.729   46.076  104.368   20.216 45.36120 50.31554 
1 1 1  -11   16   44 o   70.236   19.907   69.165   36.515  388.495  202.275   58.408   37.125  136.439   47.929   65.111   20.477 71.32829 52.11952 
1 1 1  -11   16   45 o   62.834   20.983   53.829   38.647   0.1272  221.794   55.510   39.247   85.444   40.242   63.640   21.141 21.80388 45.45725 
1 1 1  -11   17    1 o  521.001   17.155  3451.33  223.195  3468.77  314.885  3433.72  316.411  517.601   24.362  514.789   24.613 2.812012 34.63105 
1 1 1  -11   17    2 o  288.108   11.349  1044.45   81.650  1018.54  114.209  1071.54  116.774  282.934   16.233  290.242   16.176 -7.308594 22.91621 
1 1 1  -11   17    3 o  226.747   10.249  645.877   58.031  639.132   80.737  653.087   83.469  224.433   14.483  226.795   14.820 -2.362106 20.72142 
1 1 1  -11   17    4 o  108.284   10.201  148.540   27.258  140.952   36.497  158.110   40.989  104.708   14.335  110.819   15.213 -6.111145 20.90241 
1 1 1  -11   17    5 o  144.773   9.5703  264.133   34.404  251.243   46.868  279.193   50.661  140.525   13.523  148.135   13.856 -7.610062 19.36128 
1 1 1  -11   17    6 o  214.140   9.9144  575.530   53.017  538.414   73.530  615.718   76.513  206.049   14.381  220.502   13.967 -14.45334 20.04729 
1 1 1  -11   17    7 o  271.616   10.962  926.857   74.352  922.178  104.077  931.734  106.257  269.668   15.521  270.999   15.770 -1.330963 22.12632 
1 1 1  -11   17    8 o  292.590   13.184  1078.27   96.327  1166.69  165.406  1032.90  118.493  301.226   22.144  285.149   16.714 16.07733 27.74389 
1 1 1  -11   17    9 o  118.901   20.417  184.927   58.439  184.927   58.439   0.0000   0.0000  118.901   20.417  ?   ?  0.000000 20.41749 
1 1 1  -11   17   10 o  310.100   16.674  1220.36  128.647  1106.82  182.025  1333.67  181.843  292.252   25.188  322.026   22.759 -29.77365 33.94701 
1 1 1  -11   17   11 o  220.809   14.366  617.386   78.785  596.607  112.839  637.152  110.052  215.263   21.269  222.906   19.983 -7.642731 29.18415 
1 1 1  -11   17   12 o  484.434   22.872  3004.28  276.685  3082.14  392.471  2927.35  390.124  483.561   32.694  470.670   33.409 12.89114 46.74457 
1 1 1  -11   17   13 o  149.605   10.084  282.084   37.453  290.813   51.455  272.248   54.621  151.315   13.768  146.088   15.195 5.227570 20.50467 
1 1 1  -11   17   14 o  244.816   10.157  752.091   62.093  691.235   86.083  818.097   89.651  233.588   14.834  254.350   14.171 -20.76207 20.51536 
1 1 1  -11   17   15 o  398.818   13.782  2004.42  137.261  2030.44  193.495  1978.06  194.744  399.600   19.391  393.766   19.869 5.833923 27.76296 
1 1 1  -11   17   16 o  185.018   10.245  430.925   47.150  428.961   65.366  433.056   68.076  183.879   14.349  184.648   14.890 -0.7686005 20.67892 
1 1 1  -11   17   17 o  376.547   13.405  1786.20  126.050  1757.74  177.153  1815.39  179.391  371.352   19.169  377.436   19.095 -6.084015 27.05675 
1 1 1  -11   17   18 o  146.040   10.241  268.992   37.110  274.868   50.714  262.220   54.448  147.007   13.983  143.257   15.465 3.749619 20.84969 
1 1 1  -11   17   19 o  226.488   10.474  644.054   59.239  671.049   82.665  615.557   84.933  230.172   14.455  220.161   15.548 10.01082 21.22998 
1 1 1  -11   17   20 o  132.661   10.399  222.290   34.173  206.674   46.663  240.352   50.185  127.077   14.993  137.189   14.888 -10.11153 21.12909 
1 1 1  -11   17   21 o  285.709   11.732  1026.47   83.707  1132.81  117.657  917.488  119.114  298.879   15.821  268.300   17.881 30.57819 23.87494 
1 1 1  -11   17   22 o  257.873   11.260  835.788   72.510  837.608  101.291  833.875  103.847  256.853   15.870  256.158   16.319 0.6957092 22.76328 
1 1 1  -11   17   23 o  211.343   10.932  562.675   57.496  625.764   80.421  496.711   82.233  222.169   14.576  197.297   16.852 24.87219 22.28177 
1 1 1  -11   17   24 o  219.421   10.753  604.825   58.919  596.272   82.162  613.879   84.537  216.675   15.283  219.814   15.500 -3.138382 21.76733 
1 1 1  -11   17   25 o  129.320   10.911  211.600   34.907  211.663   48.035  211.529   50.815  128.537   15.263  128.288   16.224 0.2486572 22.27553 
1 1 1  -11   17   26 o  119.593   15.839  184.000   46.139  276.375   82.073  141.317   55.789  144.968   23.474  103.132   22.311 41.83526 32.38520 
1 1 1  -11   17   27 o  133.488   16.195  228.805   52.879  154.711   89.657  268.328   65.481  107.263   31.440  144.118   18.631 -36.85462 36.54567 
1 1 1  -11   17   28 o  486.903   23.328  3049.08  283.646  3085.74  406.380  3014.24  396.091  480.986   34.054  475.801   33.551 5.184845 47.80539 
1 1 1  -11   17   29 o  254.452   17.114  825.306  108.112  666.490  164.234  946.754  143.619  223.659   30.176  271.102   21.388 -47.44341 36.98671 
1 1 1  -11   17   30 o  260.441   11.467  853.389   74.575  833.575  104.372  874.056  106.593  255.881   16.421  262.060   16.370 -6.178680 23.18694 
1 1 1  -11   17   31 o  512.157   18.143  3340.38  232.038  3494.99  328.018  3185.53  328.286  519.103   25.304  493.914   26.716 25.18857 36.79725 
1 1 1  -11   17   32 o  324.353   13.484  1328.92  109.214  1470.89  154.933  1188.70  153.974  339.106   18.364  303.881   20.409 35.22546 27.45508 
1 1 1  -11   17   33 o  224.457   11.873  636.945   66.315  579.650   92.510  697.508   95.111  212.506   17.591  233.634   16.406 -21.12782 24.05418 
1 1 1  -11   17   34 f  166.287   15.225  354.187   62.520  235.737  129.594  390.118   71.375  128.655   37.824  174.178   16.611 -45.52353 41.31121 
1 1 1  -11   17   35 o  240.874   14.776  740.810   88.448  751.472  171.727  736.960  103.187  234.880   29.960  239.234   17.391 -4.353745 34.64229 
1 1 1  -11   17   36 o  257.092   15.796  848.530  100.922  747.593  191.721  887.221  118.699  229.954   34.447  261.710   18.277 -31.75563 38.99596 
1 1 1  -11   17   37 o  150.879   16.365  295.873   60.671   80.984  138.614  346.797   67.477   92.832   37.868  163.316   16.784 -70.48458 41.42115 
1 1 1  -11   17   38 o  131.295   17.645  227.275   56.387   0.0000   0.0000  227.275   56.387  ?   ?   131.295   17.645 0.000000 17.64483 
1 1 1  -11   17   39 o  116.426   34.582  205.059  107.866   0.0000   0.0000  205.059  107.866  ?   ?   116.426   34.582 0.000000 34.58176 
1 1 1  -11   17   40 o  165.804   15.812  359.904   64.674  294.274  163.267  372.119   70.436  131.859   43.087  168.012   17.023 -36.15274 46.32778 
1 1 1  -11   17   41 o   87.015   19.177  104.068   40.547  191.542  154.577   97.604   42.018  109.612   41.364   83.874   20.283 25.73773 46.06926 
1 1 1  -11   17   42 o  161.482   15.898  343.969   63.279  271.292  179.773  354.247   67.606  122.503   44.911  163.392   16.809 -40.88928 47.95379 
1 1 1  -11   17   43 o   61.513   20.321   50.291   36.279  169.182  174.199   44.901   37.092  103.439   42.353   59.254   20.540 44.18500 47.07075 
1 1 1  -11   17   44 o  190.619   15.024  479.556   70.934  916.760  220.214  428.941   74.928  232.668   39.302  178.902   16.975 53.76665 42.81084 
1 1 1  -11   17   45 o   82.657   22.442   99.602   47.515  191.993  210.567   94.645   48.773  102.618   44.478   80.410   23.080 22.20817 50.10978 
1 1 1  -11   18    1 o  383.037   19.580  1884.15  186.657  1905.11  261.843  1862.50  266.156  379.905   27.793  374.991   28.639 4.913849 39.90829 
1 1 1  -11   18    2 o  181.166   14.940  418.525   66.988  545.844   91.586  272.052   98.233  206.169   17.969  141.547   28.772 64.62216 33.92181 
1 1 1  -11   18    3 o  295.492   11.423  1099.32   84.294  1115.98  117.956  1081.94  120.504  296.132   16.010  291.350   16.632 4.782501 23.08561 
1 1 1  -11   18    4 o  277.733   11.207  970.631   77.727  948.372  108.519  994.079  111.381  272.992   15.988  279.502   16.025 -6.509796 22.63672 
1 1 1  -11   18    5 o  136.026   9.9012  233.607   33.402  223.982   45.130  245.267   49.671  132.473   13.847  138.532   14.577 -6.058456 20.10523 
1 1 1  -11   18    6 o  255.692   10.710  821.837   68.384  807.771   95.415  836.693   98.058  252.191   15.222  256.640   15.371 -4.448792 21.63322 
1 1 1  -11   18    7 o  104.801   10.649  139.427   27.481  124.021   37.094  158.171   40.914   97.793   15.722  110.829   15.182 -13.03613 21.85615 
1 1 1  -11   18    8 o  174.859   11.517  386.253   50.006  381.374   84.124  388.919   62.185  171.765   19.986  174.905   14.364 -3.140182 24.61278 
1 1 1  -11   18    9 o  226.006   11.692  644.277   65.759  641.480   80.607  649.843  113.702  224.922   14.427  224.668   20.492 0.2537079 25.06122 
1 1 1  -11   18   10 o  338.171   12.462  1440.00  105.236  1412.16  147.544  1468.84  150.141  332.979   17.809  339.629   17.765 -6.650299 25.15415 
1 1 1  -11   18   11 o  403.977   13.951  2059.09  140.736  2068.50  198.023  2049.50  200.054  402.827   19.685  400.846   19.986 1.981110 28.05256 
1 1 1  -11   18   12 o  313.296   13.640  1237.76  106.710  1242.13  131.247  1229.24  183.289  312.598   16.876  308.201   24.004 4.397308 29.34288 
1 1 1  -11   18   13 o  310.382   16.720  1224.14  129.113  1262.35  184.170  1187.21  181.058  312.470   23.781  302.818   24.144 9.652283 33.88916 
1 1 1  -11   18   14 o  219.309   14.428  609.699   78.574  602.724  113.195  616.185  109.156  216.171   21.243  218.923   20.194 -2.752380 29.31027 
1 1 1  -11   18   15 o  333.742   17.617  1417.35  146.303  1384.08  208.312  1449.74  205.524  326.335   25.772  334.516   24.780 -8.180481 35.75228 
1 1 1  -11   18   16 o  233.850   14.760  693.337   85.754  718.860  124.322  670.171  118.441  236.228   21.304  228.117   21.029 8.110504 29.93435 
1 1 1  -11   18   17 o   93.434   13.124  112.089   29.777  107.606   38.214  119.019   47.509   90.622   17.520   94.805   20.652 -4.182938 27.08250 
1 1 1  -11   18   18 o   81.517   13.209   85.824   25.969   73.314   34.753  101.640   39.078   74.502   18.707   87.853   18.402 -13.35086 26.24072 
1 1 1  -11   18   19 o  155.475   10.285  304.830   39.705  297.233   53.998  313.772   58.586  152.805   14.318  156.862   15.145 -4.056976 20.84146 
1 1 1  -11   18   20 o   85.941   12.977   95.084   26.983   78.574   36.254  115.588   40.402   77.085   18.964   93.920   17.879 -16.83524 26.06331 
1 1 1  -11   18   21 o  273.216   11.294  938.464   77.055  956.115  107.529  919.832  110.475  274.453   15.755  268.957   16.529 5.495575 22.83487 
1 1 1  -11   18   22 o  477.759   16.078  2890.00  191.817  2986.71  270.389  2792.03  272.160  482.527   22.440  465.407   23.493 17.12024 32.48818 
1 1 1  -11   18   23 o  164.810   10.326  342.434   42.282  324.076   57.529  364.002   62.355  159.537   14.602  169.085   14.921 -9.547852 20.87714 
1 1 1  -11   18   24 o  264.520   16.169  889.297  106.294  818.320  155.647  951.329  145.510  250.556   25.219  271.784   21.618 -21.22893 33.21669 
1 1 1  -11   18   25 o  280.852   16.192  1002.22  113.078  1069.63  167.323  945.552  153.414  287.482   23.513  270.423   22.934 17.05893 32.84583 
1 1 1  -11   18   26 o  146.497   15.526  274.455   55.932  249.114   92.258  289.181   70.331  136.041   28.088  149.494   19.290 -13.45317 34.07366 
1 1 1  -11   18   27 o  111.861   17.746  162.687   47.916  156.498   91.277  165.042   56.297  107.772   31.761  111.910   20.914 -4.137985 38.02816 
1 1 1  -11   18   28 o  351.772   19.260  1582.26  168.545  1411.76  244.393  1736.90  232.750  326.596   30.312  365.342   25.675 -38.74615 39.72382 
1 1 1  -11   18   29 o  205.907   11.320  534.924   57.980  571.905   80.654  495.376   83.408  212.032   15.336  196.790   17.144 15.24187 23.00262 
1 1 1  -11   18   30 o  249.160   12.174  782.080   75.748  855.658  106.245  706.015  108.025  259.158   16.503  234.666   18.586 24.49231 24.85542 
1 1 1  -11   18   31 o  260.419   12.469  855.108   81.087  878.252  114.373  831.720  114.977  262.109   17.576  254.831   18.187 7.277527 25.29195 
1 1 1  -11   18   32 o  182.015   12.541  419.964   56.653  446.375   86.806  400.368   74.772  185.939   18.960  176.532   17.179 9.406509 25.58553 
1 1 1  -11   18   33 o  206.850   11.700  541.284   60.189  560.279   83.533  520.773   86.803  209.259   16.109  201.283   17.442 7.976624 23.74277 
1 1 1  -11   18   34 o  156.816   11.799  312.241   45.868  274.306   63.184  354.503   66.692  145.355   17.778  165.957   16.303 -20.60199 24.12122 
1 1 1  -11   18   35 o  144.180   15.762  268.413   55.826  247.357  125.153  273.643   62.375  130.572   36.802  145.021   17.583 -14.44937 40.78658 
1 1 1  -11   18   36 o  277.714   15.692  990.564  108.378  992.455  207.928  989.859  126.993  266.921   31.822  276.114   18.525 -9.193176 36.82140 
1 1 1  -11   18   37 o  131.480   15.931  225.225   51.239  295.105  128.426  211.996   55.879  140.596   36.321  126.721   18.179 13.87447 40.61662 
1 1 1  -11   18   38 o  144.196   17.923  274.328   63.146   0.0000   0.0000  274.328   63.146  ?   ?   144.196   17.923 0.000000 17.92297 
1 1 1  -11   18   39 f  190.918   31.087  528.641  143.108   0.0000   0.0000  528.641  143.108  ?   ?   190.918   31.087 0.000000 31.08660 
1 1 1  -11   18   40 o  106.071   31.139  168.371   87.888  158.967  148.488  173.443  109.039  104.103   40.227  106.416   35.233 -2.313637 53.47513 
1 1 1  -11   18   41 o  167.328   15.428  367.207   63.741  457.148  168.491  352.185   68.859  165.335   41.009  162.918   17.185 2.416870 44.46374 
1 1 1  -11   18   42 o  183.436   15.596  442.589   70.765  485.626  190.121  435.667   76.244  163.856   45.060  181.098   17.060 -17.24156 48.18135 
1 1 1  -11   18   43 o  131.417   17.176  232.120   55.017  187.039  190.457  236.224   57.467  106.169   43.962  132.219   17.862 -26.05012 47.45201 
1 1 1  -11   18   44 o  129.826   18.315  230.166   57.727   87.741  195.268  243.805   60.428   92.141   41.245  133.475   18.638 -41.33443 45.26075 
1 1 1  -11   18   45 o  142.758   16.938  276.231   59.205  503.790  221.678  258.753   61.437  147.473   50.250  137.178   18.398 10.29584 53.51182 
1 1 1  -11   19    1 o  134.203   10.077  227.807   33.524  203.733   45.592  256.144   49.466  125.909   14.782  141.507   14.189 -15.59794 20.48992 
1 1 1  -11   19    2 o   91.244   11.244  106.431   25.079   73.716   33.035  150.932   38.529   74.529   17.961  108.184   14.637 -33.65475 23.17028 
1 1 1  -11   19    3 o  235.138   15.422  704.616   90.056  715.620  122.981  691.893  132.239  234.895   21.194  230.034   23.344 4.860825 31.52991 
1 1 1  -11   19    4 o  321.939   17.672  1325.19  141.530  1375.70  197.168  1271.52  203.278  324.582   24.506  310.876   26.436 13.70535 36.04731 
1 1 1  -11   19    5 o  248.092   10.766  774.389   66.697  795.657   92.839  751.704   95.882  250.175   14.929  242.852   15.898 7.323227 21.80862 
1 1 1  -11   19    6 o  160.595   9.6811  325.122   38.643  274.082   51.989  388.137   57.767  146.508   14.396  174.822   13.333 -28.31416 19.62158 
1 1 1  -11   19    7 o  410.259   20.898  2164.47  213.389   0.0000   0.0000  2164.47  213.389  ?   ?   410.259   20.898 0.000000 20.89795 
1 1 1  -11   19    8 o  248.722   14.964  785.793   92.511  785.793   92.511   0.0000   0.0000  248.722   14.964  ?   ?  0.000000 14.96423 
1 1 1  -11   19    9 o  250.485   10.645  788.784   66.583  771.870   92.602  806.888   95.805  246.488   15.117  251.987   15.297 -5.498337 21.50683 
1 1 1  -11   19   10 o  234.070   10.463  688.557   61.155  674.232   84.541  704.283   88.573  230.428   14.770  235.427   15.146 -4.998581 21.15556 
1 1 1  -11   19   11 o  146.225   10.198  269.886   37.005  283.440   50.339  253.951   54.583  149.247   13.658  140.741   15.804 8.506729 20.88773 
1 1 1  -11   19   12 o  202.671   10.239  517.283   51.651  510.744   71.373  524.473   74.841  200.560   14.345  203.130   14.857 -2.569260 20.65258 
1 1 1  -11   19   13 o  212.536   10.319  567.468   54.770  587.334   75.922  545.911   79.088  215.186   14.209  207.140   15.400 8.045593 20.95318 
1 1 1  -11   19   14 o  556.894   18.101  3944.83  251.724  3936.04  355.087  3953.71  356.901  551.067   25.804  552.242   25.880 -1.174988 36.54605 
1 1 1  -11   19   15 o  241.125   10.840  730.802   65.272  753.343   90.756  706.650   93.944  243.637   14.990  235.652   16.060 7.984421 21.96842 
1 1 1  -11   19   16 o  145.801   10.491  268.436   37.942  262.873   51.410  275.090   56.228  143.531   14.544  146.632   15.595 -3.100510 21.32483 
1 1 1  -11   19   17 o  376.758   19.160  1813.49  179.666  1795.53  255.899  1830.96  252.311  370.248   27.882  374.333   27.177 -4.084717 38.93572 
1 1 1  -11   19   18 o  209.667   14.526  557.984   75.588  579.977  111.324  539.171  102.961  211.829   21.336  204.459   20.440 7.370850 29.54646 
1 1 1  -11   19   19 o  159.316   14.432  323.165   56.792  273.577   84.786  363.519   76.485  143.802   24.488  168.048   18.535 -24.24585 30.71169 
1 1 1  -11   19   20 o  115.183   15.745  170.944   44.101  145.958   69.356  187.904   57.141  104.102   26.585  119.881   19.777 -15.77897 33.13486 
1 1 1  -11   19   21 o  367.041   18.930  1720.45  172.918  1709.01  247.574  1731.34  241.619  361.313   27.649  364.212   26.753 -2.898346 38.47345 
1 1 1  -11   19   22 o  406.456   20.085  2109.86  203.862  2179.64  291.994  2043.49  284.751  407.422   28.887  394.276   29.127 13.14661 41.02269 
1 1 1  -11   19   23 o  497.126   23.615  3183.08  293.160  3229.68  417.406  3137.71  411.832  491.612   34.214  484.492   34.260 7.120178 48.41853 
1 1 1  -11   19   24 o  272.176   16.492  942.500  111.565  832.878  162.395  1040.48  153.531  252.228   26.163  284.097   21.807 -31.86905 34.05998 
1 1 1  -11   19   25 o  268.583   16.364  917.681  109.227  869.875  160.798  958.639  148.836  258.189   25.263  272.510   22.061 -14.32034 33.53966 
1 1 1  -11   19   26 o  115.948   16.822  173.956   47.285  161.743   82.919  179.841   57.561  109.220   29.644  117.028   20.440 -7.807648 36.00774 
1 1 1  -11   19   27 o  114.498   12.118  166.889   34.121  156.181   46.164  179.784   50.657  109.586   17.455  117.664   17.796 -8.077972 24.92737 
1 1 1  -11   19   28 o  270.294   12.083  920.156   81.557  986.904  114.014  850.211  116.712  278.434   16.471  257.791   18.248 20.64246 24.58216 
1 1 1  -11   19   29 o  192.912   11.114  469.691   53.314  472.655   74.135  466.515   76.726  192.546   15.551  191.108   16.231 1.438095 22.47825 
1 1 1  -11   19   30 o  174.370   11.039  384.066   47.818  385.348   65.808  382.631   69.601  173.742   15.325  172.874   16.315 0.8684692 22.38406 
1 1 1  -11   19   31 o  239.294   15.057  728.541   89.516  721.094  163.928  731.705  106.854  232.450   28.862  238.852   18.048 -6.401733 34.04002 
1 1 1  -11   19   32 o  275.257   18.138  972.265  123.979  972.265  123.979   0.0000   0.0000  275.257   18.138  ?   ?  0.000000 18.13846 
1 1 1  -11   19   33 o  102.223   12.975  134.224   32.376  125.341   42.793  146.116   49.511   97.449   18.256  105.042   19.596 -7.593307 26.78200 
1 1 1  -11   19   34 o  125.180   11.963  199.848   36.941  174.945   49.447  231.304   55.573  115.573   17.696  133.410   17.073 -17.83758 24.58929 
1 1 1  -11   19   35 o  169.307   11.904  364.612   50.010  399.304   69.259  326.820   72.287  175.977   15.933  158.116   18.668 17.86168 24.54292 
1 1 1  -11   19   36 o  273.100   15.704  959.579  106.645  864.431  199.291  997.757  126.240  247.136   33.126  277.019   18.353 -29.88300 37.87034 
1 1 1  -11   19   37 o  233.161   14.864  700.110   86.094  866.356  173.479  645.785   99.168  250.097   28.274  222.312   18.018 27.78435 33.52684 
1 1 1  -11   19   38 o  243.725   16.443  773.031   99.490  517.228  195.871  861.977  115.499  177.485   44.326  256.295   18.164 -78.80983 47.90294 
1 1 1  -11   19   39 o  248.373   29.898  885.158  181.714   0.0000   0.0000  885.158  181.714  ?   ?   248.373   29.898 0.000000 29.89828 
1 1 1  -11   19   40 o   83.074   31.101   89.632   87.035   71.672  143.053  100.188  109.668   88.210   37.411   88.514   34.468 -0.3044281 50.86877 
1 1 1  -11   19   41 o  113.907   18.520  175.762   50.870  131.500  150.803  181.445   54.037   97.891   39.660  115.325   19.456 -17.43423 44.17507 
1 1 1  -11   19   42 o  129.150   17.206  223.602   54.112  243.981  168.192  221.249   57.151  117.085   43.352  127.832   18.436 -10.74722 47.10945 
1 1 1  -11   19   43 o   52.107   20.108   27.596   37.060  132.158  172.005   22.506   37.951   97.036   41.081   50.596   20.100 46.43910 45.73467 
1 1 1  -11   19   44 o   50.654   19.831   24.903   36.453 -153.6535  183.647   32.227   37.193   69.737   33.826   53.692   20.283 16.04542 39.44107 
1 1 1  -11   19   45 o   91.470   20.990  120.362   46.928  242.983  208.229  113.800   48.167  107.840   45.402   88.418   21.923 19.42201 50.41824 
1 1 1  -11   20    1 f  137.852   9.8896  240.304   33.818  153.373   45.710  345.426   50.265  108.253   17.507  164.905   12.295 -56.65235 21.39261 
1 1 1  -11   20    2 o  175.242   9.9847  387.610   43.514  392.343   59.525  382.178   63.769  175.493   13.691  172.869   14.918 2.623856 20.24841 
1 1 1  -11   20    3 o  229.397   10.253  662.234   58.734  629.295   80.960  698.829   85.336  222.251   14.670  234.259   14.661 -12.00816 20.74045 
1 1 1  -11   20    4 o   90.035   11.634  103.861   25.544   81.519   33.465  135.053   39.541   78.437   17.527  101.874   16.076 -23.43639 23.78279 
1 1 1  -11   20    5 o  201.644   10.034  511.334   50.524  481.230   69.040  546.045   74.135  194.396   14.323  207.110   14.424 -12.71370 20.32741 
1 1 1  -11   20    6 o  153.572   24.629  313.534   91.260   0.0000   0.0000  313.534   91.260  ?   ?   153.572   24.629 0.000000 24.62899 
1 1 1  -11   20    7 o  462.068   22.859  2760.91  263.762  2984.87  370.569  2530.95  375.512  472.256   31.605  431.311   35.171 40.94461 47.28471 
1 1 1  -11   20    8 o  229.825   10.450  664.316   59.974  649.915   82.968  680.075   86.793  226.042   14.780  231.151   15.119 -5.108963 21.14326 
1 1 1  -11   20    9 o  152.664   9.9548  294.112   37.743  310.373   51.366  275.031   55.643  156.215   13.294  146.501   15.442 9.713791 20.37630 
1 1 1  -11   20   10 o  131.598   10.215  218.969   33.305  213.654   44.567  225.691   50.123  129.263   14.032  132.579   15.428 -3.316895 20.85472 
1 1 1  -11   20   11 o  292.816   11.692  1079.86   85.497  1137.30  119.466  1019.55  122.410  298.955   16.061  282.534   17.435 16.42123 23.70541 
1 1 1  -11   20   12 o  222.792   10.414  623.966   57.936  620.708   79.736  627.610   84.324  221.049   14.526  222.073   15.299 -1.024185 21.09648 
1 1 1  -11   20   13 o  383.842   13.779  1861.23  132.074  1855.41  185.413  1867.23  188.179  380.530   19.578  381.625   19.814 -1.095398 27.85530 
1 1 1  -11   20   14 o  246.307   10.741  762.840   66.063  724.956   91.431  804.224   95.562  238.752   15.418  251.554   15.285 -12.80212 21.71027 
1 1 1  -11   20   15 o  167.559   10.254  354.090   42.698  328.698   58.268  383.539   62.749  160.556   14.696  173.551   14.615 -12.99472 20.72581 
1 1 1  -11   20   16 o  466.354   15.591  2755.34  181.572  2758.89  255.599  2751.73  257.981  463.292   22.093  462.544   22.335 0.7474060 31.41569 
1 1 1  -11   20   17 o  385.720   13.661  1878.46  131.589  1827.12  184.493  1931.62  187.740  377.720   19.627  388.987   19.327 -11.26752 27.54577 
1 1 1  -11   20   18 o  339.940   12.861  1457.12  109.178  1458.06  152.646  1456.15  156.217  337.954   18.154  337.546   18.605 0.4074707 25.99433 
1 1 1  -11   20   19 f  214.050   10.700  575.969   57.192  588.067   78.684  562.419   83.275  215.152   14.734  210.062   15.995 5.089554 21.74697 
1 1 1  -11   20   20 o  193.491   10.548  471.912   50.774  475.888   69.921  467.477   73.851  193.485   14.578  191.516   15.577 1.968140 21.33467 
1 1 1  -11   20   21 o  502.250   16.912  3202.88  212.113  3238.52  298.854  3166.71  301.104  500.909   23.892  495.005   24.359 5.903625 34.11995 
1 1 1  -11   20   22 o  257.397   11.409  833.580   73.334  865.612  101.768  798.982  105.767  260.962   15.689  250.285   17.024 10.67769 23.15079 
1 1 1  -11   20   23 o  211.309   11.002  562.989   57.852  566.904   79.801  558.652   83.991  211.111   15.240  209.312   16.195 1.799606 22.23792 
1 1 1  -11   20   24 o  361.858   13.862  1653.54  125.265  1821.05  176.158  1482.20  178.160  378.021   18.661  339.482   21.120 38.53940 28.18342 
1 1 1  -11   20   25 o  308.210   12.555  1197.25   96.628  1309.16  134.835  1079.10  138.546  320.660   16.898  290.200   19.227 30.45953 25.59757 
1 1 1  -11   20   26 o  173.832   10.952  381.496   47.297  371.378   64.235  393.477   69.901  170.622   15.236  175.441   16.136 -4.818924 22.19271 
1 1 1  -11   20   27 o  267.296   11.865  899.792   79.197  937.507  110.061  859.296  114.047  271.342   16.319  259.281   17.720 12.06039 24.08974 
1 1 1  -11   20   28 o  108.649   12.527  150.750   33.365  172.279   44.878  124.144   49.889  115.503   15.988   96.566   21.264 18.93650 26.60408 
1 1 1  -11   20   29 o  161.644   11.311  330.500   45.369  334.317   62.037  326.112   66.519  161.663   15.559  159.285   16.985 2.378510 23.03452 
1 1 1  -11   20   30 o  268.148   12.172  906.760   81.507  961.315  113.860  849.420  116.730  274.426   16.694  257.334   18.284 17.09213 24.75877 
1 1 1  -11   20   31 o   93.152   14.689  112.565   33.038  121.107   44.977  102.556   48.688   95.559   19.508   87.440   22.244 8.118279 29.58707 
1 1 1  -11   20   32 o  307.338   12.113  1192.79   92.967  1245.43  130.324  1138.24  132.659  312.016   16.788  297.747   17.925 14.26904 24.55912 
1 1 1  -11   20   33 o  150.172   11.393  286.277   42.406  296.663   57.404  273.802   62.916  151.895   15.344  145.161   17.725 6.734833 23.44349 
1 1 1  -11   20   34 o  183.319   11.645  426.645   53.034  432.860   73.171  419.768   76.975  183.278   16.153  180.045   17.335 3.233292 23.69391 
1 1 1  -11   20   35 o  246.085   12.084  767.838   74.259  849.905  104.371  683.701  105.678  256.803   16.360  229.150   18.629 27.65295 24.79334 
1 1 1  -11   20   36 o  166.288   11.961  352.840   49.338  356.385   68.069  348.917   71.614  165.469   16.702  163.242   17.859 2.226913 24.45195 
1 1 1  -11   20   37 o  284.348   16.165  1047.74  114.306  916.198  216.404  1098.64  134.617  249.145   35.812  289.412   18.727 -40.26683 40.41273 
1 1 1  -11   20   38 o  259.649   16.302  878.146  105.167  764.570  202.438  920.128  123.078  223.732   37.565  264.036   18.789 -40.30385 42.00204 
1 1 1  -11   20   39 o  233.415   18.320  721.400  105.928   0.0000   0.0000  721.400  105.928  ?   ?   233.415   18.320 0.000000 18.32042 
1 1 1  -11   20   40 o   93.196   35.951  119.424  118.434   0.0000   0.0000  119.424  118.434  ?   ?    93.196   35.951 0.000000 35.95063 
1 1 1  -11   20   41 o   94.852   20.413  125.084   46.920  132.596  153.141  124.306   49.290   97.811   39.840   94.114   21.450 3.697662 45.24780 
1 1 1  -11   20   42 o  164.738   16.829  361.533   68.259  334.203  184.325  365.877   73.483  132.064   45.788  164.915   18.143 -32.85123 49.25197 
1 1 1  -11   20   43 o  107.761   19.908  161.563   51.598   28.876  178.443  173.669   53.901   84.690   38.522  111.733   20.055 -27.04282 43.43012 
1 1 1  -11   20   44 o   77.329   22.101   86.288   44.813  169.730  189.437   81.341   46.122  100.335   42.817   75.122   22.682 25.21342 48.45325 
1 1 1  -11   20   45 o  124.546   18.559  215.055   55.958  210.613  208.297  215.401   58.094  102.942   44.428  124.116   19.377 -21.17335 48.46968 
1 1 1  -11   21    1 o  156.395   13.243  312.065   51.234  204.720   71.907  422.748   73.016  123.114   24.252  181.282   16.304 -58.16772 29.22252 
1 1 1  -11   21    2 o  281.731   11.373  1001.64   80.012  957.141  111.562  1048.78  114.817  273.380   16.418  286.334   16.123 -12.95340 23.01096 
1 1 1  -11   21    3 o  105.692   11.193  142.410   29.092  107.022   38.567  189.132   44.315   89.965   17.797  121.121   14.970 -31.15576 23.25605 
1 1 1  -11   21    4 o  295.587   11.596  1102.43   85.597  1157.53  119.476  1044.32  122.692  301.090   15.947  285.386   17.298 15.70410 23.52707 
1 1 1  -11   21    5 o  127.201   10.564  205.119   33.253  187.516   44.367  227.682   50.231  120.619   15.058  132.991   15.411 -12.37158 21.54593 
1 1 1  -11   21    6 f  346.690   12.873  1519.38  111.445  1568.90  156.007  1467.77  159.257  349.864   17.916  337.851   18.953 12.01291 26.08099 
1 1 1  -11   21    7 o  156.197   10.114  308.164   39.238  303.474   52.467  314.115   59.105  154.246   13.766  156.561   15.314 -2.315796 20.59187 
1 1 1  -11   21    8 o  198.665   15.539  504.235   76.478  594.453  102.567  391.269  114.771  214.525   19.354  170.455   27.931 44.07030 33.98130 
1 1 1  -11   21    9 o  201.974   15.422  520.741   77.195  607.535  104.421  416.142  114.631  216.895   19.487  176.432   26.866 40.46353 33.18964 
1 1 1  -11   21   10 o  340.590   12.862  1464.99  109.393  1547.15  153.377  1379.91  156.068  347.826   17.717  327.786   19.150 20.04037 26.08843 
1 1 1  -11   21   11 o  272.930   11.397  938.318   77.677  959.260  107.988  915.866  111.815  274.412   15.826  267.774   16.807 6.638275 23.08534 
1 1 1  -11   21   12 o  168.934   10.250  360.136   43.037  353.013   58.201  368.728   63.928  166.458   14.135  169.880   15.231 -3.422485 20.77962 
1 1 1  -11   21   13 o  236.682   10.669  704.714   63.057  708.406   86.695  700.566   91.885  236.050   14.782  234.442   15.787 1.608093 21.62709 
1 1 1  -11   21   14 o  126.890   10.766  203.979   33.793  194.106   45.247  216.433   50.817  122.900   15.058  129.639   16.040 -6.739441 22.00046 
1 1 1  -11   21   15 f  101.772   11.940  132.251   29.767  149.133   40.007  111.313   44.554  107.441   15.347   91.542   20.046 15.89959 25.24616 
1 1 1  -11   21   16 o  177.695   10.425  398.328   46.059  417.293   62.987  376.532   67.524  181.153   14.033  171.564   15.943 9.589020 21.23943 
1 1 1  -11   21   17 o  437.150   15.001  2420.13  163.752  2382.54  230.052  2458.74  233.141  430.620   21.393  437.482   21.341 -6.862274 30.21759 
1 1 1  -11   21   18 o  184.725   10.455  430.336   48.029  463.716   65.649  391.897   70.451  191.081   13.852  174.984   16.311 16.09653 21.39909 
1 1 1  -11   21   19 o  352.288   12.634  1565.05  111.140  1511.81  154.529  1622.09  159.964  344.038   18.050  356.402   18.032 -12.36429 25.51376 
1 1 1  -11   21   20 o  251.761   11.396  797.793   71.647  833.159   99.255  759.316  103.529  255.934   15.605  243.829   17.111 12.10425 23.15818 
1 1 1  -11   21   21 o  414.795   14.143  2174.90  146.494  2118.14  204.880  2234.28  209.547  406.779   20.169  417.827   20.083 -11.04752 28.46294 
1 1 1  -11   21   22 o  195.725   11.091  483.464   53.983  523.570   74.948  440.224   77.821  202.861   14.899  185.382   17.000 17.47910 22.60469 
1 1 1  -11   21   23 o  231.677   11.246  675.432   65.061  708.136   89.904  639.473   94.270  235.955   15.341  223.700   17.003 12.25523 22.90105 
1 1 1  -11   21   24 o  131.217   11.710  218.493   37.968  230.795   50.664  202.734   57.344  134.128   15.406  124.701   19.017 9.426758 24.47389 
1 1 1  -11   21   25 o  115.062   12.064  168.592   34.149  162.134   45.314  177.081   51.950  111.804   16.745  116.509   18.472 -4.704613 24.93240 
1 1 1  -11   21   26 o  141.650   11.605  254.319   40.690  246.841   54.982  263.374   60.501  138.557   16.196  142.898   17.308 -4.340591 23.70389 
1 1 1  -11   21   27 o  273.255   12.001  941.000   81.892  907.986  113.085  977.403  118.748  266.648   17.073  276.617   17.277 -9.969574 24.28956 
1 1 1  -11   21   28 o  261.015   11.616  858.278   75.711  849.118  104.522  868.391  109.818  258.022   16.306  260.722   16.960 -2.699738 23.52664 
1 1 1  -11   21   29 o  386.517   14.155  1891.15  136.621  2011.05  191.858  1767.81  194.594  396.217   19.391  370.057   21.145 26.16013 28.69029 
1 1 1  -11   21   30 o  275.353   14.073  962.708   96.441  966.096  156.027  960.614  122.683  272.019   23.191  273.591   18.058 -1.572418 29.39263 
1 1 1  -11   21   31 o  214.253   16.007  587.631   85.023  587.631   85.023   0.0000   0.0000  214.253   16.007  ?   ?  0.000000 16.00692 
1 1 1  -11   21   32 f  127.832   11.532  207.949   36.417  219.233   48.442  193.284   55.226  130.419   15.157  121.308   18.842 9.111191 24.18161 
1 1 1  -11   21   33 o  101.643   12.875  132.974   31.946  125.944   41.901  142.732   49.368   97.585   17.853  103.461   19.830 -5.875916 26.68227 
1 1 1  -11   21   34 o  170.210   11.656  368.466   49.244  379.148   67.820  356.554   71.617  171.301   16.041  165.512   17.597 5.788986 23.81147 
1 1 1  -11   21   35 o  105.239   13.082  143.032   33.638  151.509   44.422  131.638   51.500  107.146   17.183   98.348   21.564 8.798164 27.57271 
1 1 1  -11   21   36 o   93.176   13.395  112.990   30.272  105.682   39.267  123.697   47.530   88.620   18.348   95.333   20.569 -6.712814 27.56300 
1 1 1  -11   21   37 o  287.397   12.679  1055.09   90.997  1155.04  128.298  953.913  129.083  297.350   17.354  268.681   19.369 28.66965 26.00588 
1 1 1  -11   21   38 o  177.413   15.955  411.715   69.932  387.571  152.043  418.193   78.757  155.609   39.159  177.740   17.992 -22.13121 43.09421 
1 1 1  -11   21   39 o  164.224   18.098  359.273   72.987   0.0000   0.0000  359.273   72.987  ?   ?   164.224   18.098 0.000000 18.09801 
1 1 1  -11   21   40 o  151.136   38.481  374.967  145.615   0.0000   0.0000  374.967  145.615  ?   ?   151.136   38.481 0.000000 38.48071 
1 1 1  -11   21   41 o   82.938   32.118   89.205   94.816  134.179  147.508   57.540  123.773   97.095   39.264   81.356   34.661 15.73859 52.37377 
1 1 1  -11   21   42 o  161.201   17.036  347.570   67.540  319.548  173.525  352.573   73.323  129.682   44.457  161.417   18.526 -31.73489 48.16244 
1 1 1  -11   21   43 o  114.300   18.822  179.960   51.853  488.254  181.331  152.506   54.112  161.252   43.867  103.530   21.628 57.72199 48.90863 
1 1 1  -11   21   44 o  173.781   17.252  408.731   73.877  350.894  207.210  417.154   79.073  124.848   47.704  174.664   18.406 -49.81580 51.13152 
1 1 1  -11   22    1 o   95.175   12.200  116.456   28.328  116.982   38.925  115.864   41.305   94.147   17.190   93.375   18.369 0.7721634 25.15745 
1 1 1  -11   22    2 o  128.447   11.104  209.783   35.265  211.368   48.311  207.975   51.597  127.880   15.441  126.460   16.751 1.420349 22.78205 
1 1 1  -11   22    3 o  108.880   14.628  153.309   38.765  151.883   54.744  154.744   54.901  106.482   21.331  107.543   21.197 -1.060684 30.07207 
1 1 1  -11   22    4 o  262.835   11.028  871.437   72.382  779.215  100.210  972.033  104.661  246.529   16.371  275.918   15.249 -29.38931 22.37276 
1 1 1  -11   22    5 o  591.327   22.775  4552.53  336.314  4695.12  582.640  4481.28  411.853  574.025   40.914  580.081   28.432 -6.055969 49.82278 
1 1 1  -11   22    6 o  215.665   13.997  592.232   74.975  592.232   74.975   0.0000   0.0000  215.665   13.997  ?   ?  0.000000 13.99716 
1 1 1  -11   22    7 o  153.463   9.9711  297.570   38.005  243.473   50.376  369.030   57.899  137.688   14.888  170.130   13.746 -32.44179 20.26339 
1 1 1  -11   22    8 o  196.928   10.168  489.325   49.834  475.776   67.438  505.624   73.966  193.252   14.071  198.989   14.995 -5.736450 20.56343 
1 1 1  -11   22    9 o  373.723   13.666  1768.42  127.540  1923.06  179.291  1610.01  181.465  387.474   18.530  352.905   20.682 34.56992 27.76827 
1 1 1  -11   22   10 o  300.596   14.004  1144.56  105.118  1238.37  126.113  931.023  190.264  311.498   16.269  263.456   29.422 48.04266 33.62089 
1 1 1  -11   22   11 o  259.207   16.746  859.310  107.817  947.413  145.795  752.979  160.169  270.051   21.805  237.830   27.474 32.22084 35.07591 
1 1 1  -11   22   12 o  259.406   16.657  860.143  107.331  929.430  144.731  775.473  159.992  267.507   21.857  241.759   26.960 25.74840 34.70705 
1 1 1  -11   22   13 o  202.257   10.571  516.159   53.208  536.705   72.799  492.596   77.960  205.384   14.283  196.236   16.049 9.147827 21.48452 
1 1 1  -11   22   14 o  206.949   10.442  540.128   53.791  519.277   73.081  564.781   79.464  201.946   14.590  210.474   15.222 -8.528534 21.08468 
1 1 1  -11   22   15 o  197.837   10.436  493.674   51.376  491.587   69.954  496.117   75.698  196.539   14.353  197.140   15.502 -0.6009521 21.12566 
1 1 1  -11   22   16 o  192.934   10.585  469.666   50.804  473.716   69.295  464.960   74.705  192.895   14.492  190.742   15.827 2.154022 21.45909 
1 1 1  -11   22   17 o  325.821   12.695  1339.81  103.291  1413.27  144.232  1262.47  147.993  332.642   17.424  313.683   18.982 18.95868 25.76674 
1 1 1  -11   22   18 o  298.227   12.130  1121.35   90.338  1160.42  125.633  1079.52  129.994  301.620   16.746  290.401   18.014 11.21896 24.59554 
1 1 1  -11   22   19 o  252.788   11.330  804.633   71.519  814.634   98.501  793.480  104.011  252.926   15.673  249.244   16.809 3.681870 22.98214 
1 1 1  -11   22   20 o  347.783   13.475  1528.22  117.024  1593.37  163.224  1459.30  167.868  352.790   18.593  336.905   20.044 15.88522 27.33955 
1 1 1  -11   22   21 o  178.695   10.702  403.095   47.538  419.408   64.211  383.310   70.717  181.529   14.280  172.911   16.581 8.617630 21.88253 
1 1 1  -11   22   22 f  189.937   10.908  455.418   51.520  445.969   69.704  466.796   76.490  187.030   15.052  191.072   16.183 -4.042542 22.10064 
1 1 1  -11   22   23 o  117.659   12.150  176.327   35.185  180.679   46.552  170.529   53.735  118.240   16.192  113.945   19.591 4.294937 25.41601 
1 1 1  -11   22   24 o  164.418   11.356  341.994   46.339  353.025   63.161  329.135   68.195  166.172   15.396  159.890   17.359 6.282379 23.20250 
1 1 1  -11   22   25 o  342.949   13.135  1485.44  112.486  1461.42  156.350  1511.21  161.956  337.758   18.609  343.312   18.965 -5.554230 26.56963 
1 1 1  -11   22   26 o  193.408   11.130  472.496   53.527  493.614   72.352  446.961   79.559  196.837   14.828  186.578   17.272 10.25938 22.76377 
1 1 1  -11   22   27 f  284.999   12.470  1025.09   88.746  1027.40  122.678  1022.55  128.540  283.387   17.420  282.353   18.329 1.034271 25.28675 
1 1 1  -11   22   28 o  290.027   12.517  1062.06   90.657  1105.64  126.234  1015.65  130.277  293.972   17.272  281.146   18.662 12.82669 25.42797 
1 1 1  -11   22   29 o  169.223   14.793  366.049   61.885  420.288  115.279  344.090   73.350  177.040   26.924  163.014   18.337 14.02652 32.57505 
1 1 1  -11   22   30 o  214.537   14.926  587.547   79.466  651.666   90.330  368.063  167.126  225.583   16.142  158.143   41.718 67.44064 44.73167 
1 1 1  -11   22   31 o  241.606   12.450  740.429   74.863  780.132  103.170  696.278  108.797  246.433   16.866  231.893   18.954 14.54025 25.37160 
1 1 1  -11   22   32 o  460.622   15.858  2711.77  182.405  2728.17  256.366  2694.96  259.583  456.722   22.478  452.940   23.026 3.782806 32.17841 
1 1 1  -11   22   33 o  237.085   11.248  710.994   66.591  703.646   91.608  719.228   96.968  233.916   15.775  236.161   16.547 -2.245636 22.86155 
1 1 1  -11   22   34 o  106.834   12.915  147.190   33.755  164.596   44.377  123.295   51.996  112.062   16.339   94.953   22.307 17.10930 27.65086 
1 1 1  -11   22   35 o  125.716   11.648  202.328   36.153  167.796   47.552  249.634   55.656  112.608   17.477  138.188   16.452 -25.57938 24.00201 
1 1 1  -11   22   36 o   73.289   15.264   71.631   27.029   63.363   34.204   85.380   44.105   68.455   19.220   78.821   21.714 -10.36581 28.99855 
1 1 1  -11   22   37 o  126.253   12.316  205.473   38.335  196.236   51.137  217.324   57.924  121.525   17.343  127.370   18.774 -5.844574 25.55862 
1 1 1  -11   22   38 o  117.772   12.925  180.001   37.387  195.119   50.295  161.329   55.894  121.037   17.117  107.980   21.484 13.05683 27.46972 
1 1 1  -11   22   39 o   73.108   22.502   73.955   45.105   0.0000   0.0000   73.955   45.105  ?   ?    73.108   22.502 0.000000 22.50215 
1 1 1  -11   22   40 o  110.473   39.055  201.848  134.492   0.0000   0.0000  201.848  134.492  ?   ?   110.473   39.055 0.000000 39.05489 
1 1 1  -11   22   41 o   88.228   33.396  110.715  100.954  115.459  151.726  106.947  135.234   93.720   39.058   90.726   37.251 2.994370 53.97372 
1 1 1  -11   22   42 o  252.601   16.527  848.158  103.679  998.552  226.484  808.286  116.616  245.302   38.218  243.915   19.303 1.387115 42.81639 
1 1 1  -11   22   43 o  126.918   19.210  222.630   58.980   96.230  188.460  236.354   62.099   91.639   40.806  130.548   19.658 -38.90959 45.29411 
1 1 1  -11   22   44 o  160.836   17.423  352.144   68.858  487.342  197.579  333.453   73.464  150.397   47.229  154.977   19.408 -4.579681 51.06132 
1 1 1  -11   23    1 o   86.788   13.786   98.104   28.878   79.659   40.115  117.946   41.605   76.864   20.516   94.085   18.367 -17.22080 27.53699 
1 1 1  -11   23    2 o  182.278   10.501  420.737   47.597  352.500   65.396  497.606   69.409  165.203   16.055  197.190   14.190 -31.98740 21.42700 
1 1 1  -11   23    3 o  169.533   10.456  363.953   44.048  339.272   60.495  391.805   64.262  162.426   15.087  174.710   14.871 -12.28354 21.18405 
1 1 1  -11   23    4 o  235.135   16.214  710.209   94.621   0.0000   0.0000  710.209   94.621  ?   ?   235.135   16.214 0.000000 16.21361 
1 1 1  -11   23    5 o  180.099   19.830  423.728   87.706  423.728   87.706   0.0000   0.0000  180.099   19.830  ?   ?  0.000000 19.83004 
1 1 1  -11   23    6 o  140.417   10.866  250.159   37.806  250.936   50.560  249.174   56.937  139.725   14.711  138.639   16.788 1.086075 22.32182 
1 1 1  -11   23    7 o  231.994   10.441  678.226   60.489  638.476   82.475  724.498   88.984  223.582   14.856  238.162   15.039 -14.57990 21.13986 
1 1 1  -11   23    8 o  123.197   10.941  192.845   33.309  176.763   43.740  215.046   51.392  116.906   15.354  128.863   16.337 -11.95724 22.42006 
1 1 1  -11   23    9 o   99.530   12.214  126.984   29.721  137.164   38.713  112.369   46.383  102.716   15.582   91.563   20.764 11.15319 25.95994 
1 1 1  -11   23   10 o  242.957   11.058  744.168   67.088  751.708   92.113  735.650   97.907  242.676   15.278  239.640   16.460 3.035568 22.45804 
1 1 1  -11   23   11 f  249.250   11.416  783.557   71.053  825.007   98.223  738.055  102.910  254.223   15.547  239.772   17.304 14.45093 23.26185 
1 1 1  -11   23   12 f  283.441   11.862  1013.88   83.960  1101.85  116.642  919.300  120.949  293.813   15.958  267.400   18.222 26.41275 24.22121 
1 1 1  -11   23   13 o  279.349   13.670  988.025   95.358  1024.00  113.370  901.017  176.311  283.204   16.097  260.109   27.564 23.09491 31.92008 
1 1 1  -11   23   14 o  174.682   16.309  391.648   70.321  419.838   88.450  343.219  115.933  179.705   20.052  158.247   30.443 21.45833 36.45327 
1 1 1  -11   23   15 o  245.288   16.812  770.089  102.359  838.449  135.316  678.654  156.498  254.054   21.532  225.111   28.476 28.94212 35.70040 
1 1 1  -11   23   16 o  425.003   14.913  2291.49  158.273  2347.23  222.079  2233.96  225.627  426.947   20.830  415.392   21.828 11.55450 30.17151 
1 1 1  -11   23   17 o  347.511   12.975  1525.98  112.596  1551.80  156.839  1498.52  161.743  348.048   18.108  341.550   19.039 6.497528 26.27521 
1 1 1  -11   23   18 o  157.246   10.934  312.805   42.666  309.197   57.057  317.383   64.261  155.474   14.878  157.076   16.636 -1.602341 22.31823 
1 1 1  -11   23   19 o  268.931   11.579  911.549   77.759  935.818  107.309  884.718  112.834  270.916   15.932  262.909   17.283 8.007294 23.50566 
1 1 1  -11   23   20 o  316.723   12.662  1266.57  100.145  1345.99  139.265  1181.54  144.112  324.535   17.246  303.199   19.132 21.33527 25.75753 
1 1 1  -11   23   21 o   69.865   16.592   64.551   28.516   72.168   37.141   53.613   44.508   73.750   19.766   66.432   22.516 7.317863 29.96104 
1 1 1  -11   23   22 o  258.251   11.257  840.126   72.597  797.691   99.277  888.898  106.431  250.048   15.983  263.923   16.227 -13.87485 22.77674 
1 1 1  -11   23   23 o  328.437   12.759  1362.28  104.648  1286.48  144.097  1446.88  152.227  316.793   18.293  336.060   18.207 -19.26657 25.80955 
1 1 1  -11   23   24 o  199.696   11.317  503.996   56.201  505.557   76.168  502.130   83.267  198.979   15.450  197.835   17.020 1.143616 22.98703 
1 1 1  -11   23   25 o  390.724   14.223  1933.82  138.773  2018.06  193.805  1845.18  198.799  396.620   19.568  377.874   21.153 18.74661 28.81542 
1 1 1  -11   23   26 o  285.738   12.105  1030.37   86.374  1072.26  119.400  984.384  125.102  289.703   16.573  276.892   18.194 12.81064 24.61084 
1 1 1  -11   23   27 o  303.056   12.396  1160.06   93.810  1099.97  129.180  1227.10  136.453  292.848   17.748  309.366   17.737 -16.51849 25.09182 
1 1 1  -11   23   28 o  218.514   11.579  604.106   62.956  618.480   85.354  586.956   93.233  219.930   15.643  213.540   17.642 6.389908 23.57865 
1 1 1  -11   23   29 o  214.972   12.994  587.149   69.429  569.704  106.283  600.133   91.697  209.036   20.630  215.986   17.142 -6.950180 26.82236 
1 1 1  -11   23   30 o  203.964   11.992  527.816   60.813  515.577   82.636  542.275   89.818  200.101   16.690  204.855   17.732 -4.754822 24.35139 
1 1 1  -11   23   31 o  201.876   11.353  516.733   56.999  516.703   76.940  516.770   84.858  200.568   15.481  199.951   17.161 0.6180725 23.11244 
1 1 1  -11   23   32 o  277.403   11.667  974.554   80.819  1008.01  111.363  937.326  117.471  279.978   15.995  269.143   17.575 10.83511 23.76338 
1 1 1  -11   23   33 o  188.393   11.105  450.914   52.012  399.394   69.738  515.498   78.080  175.593   16.083  199.786   15.779 -24.19287 22.53071 
1 1 1  -11   23   34 o  158.756   11.673  321.724   45.952  317.262   61.772  327.254   68.761  156.138   16.072  157.919   17.743 -1.781219 23.94063 
1 1 1  -11   23   35 o  104.050   12.803  140.175   32.564  133.226   42.257  150.336   51.097   99.879   17.584  105.281   20.170 -5.402016 26.75873 
1 1 1  -11   23   36 o  129.414   12.087  215.516   38.610  210.389   51.111  222.330   58.925  126.223   16.620  128.841   18.874 -2.618530 25.14847 
1 1 1  -11   23   37 o  190.244   11.803  464.064   55.797  468.722   76.011  458.621   82.167  189.014   16.262  186.011   17.910 3.002655 24.19190 
1 1 1  -11   23   38 o  168.017   12.883  364.948   53.640  399.813   78.101  333.819   73.798  172.968   18.363  157.454   19.164 15.51395 26.54153 
1 1 1  -11   23   39 o  101.065   38.478  157.160  134.507   0.0000   0.0000  157.160  134.507  ?   ?   101.065   38.478 0.000000 38.47755 
1 1 1  -11   23   40 o   94.198   37.888  124.803  136.553   0.0000   0.0000  124.803  136.553  ?   ?    94.198   37.888 0.000000 37.88780 
1 1 1  -11   23   41 o   59.697   27.568 -39.2506   96.158 -52.0660  141.210 -28.1697  131.306   70.042   32.705   70.353   32.390 -0.3114624 46.03001 
1 1 1  -11   23   42 o  162.730   16.927  355.865   67.778  460.858  174.405  337.187   73.560  157.078   43.141  156.830   19.183 0.2483826 47.21386 
1 1 1  -11   23   43 o  107.811   20.721  164.878   53.759  306.791  172.700  149.651   56.570  122.201   44.137  101.290   22.902 20.91100 49.72536 
1 1 1  -11   23   44 o   83.422   22.717  102.971   48.601  357.836  185.638   84.217   50.358  126.456   45.748   75.508   23.861 50.94818 51.59645 
1 1 1  -11   24    1 o  131.252   11.428  219.986   37.083  207.594   52.100  232.711   52.793  125.785   17.024  133.597   16.153 -7.812103 23.46741 
1 1 1  -11   24    2 o  175.724   10.660  391.837   46.559  434.062   64.878  347.000   66.854  183.859   14.242  163.436   16.611 20.42307 21.88074 
1 1 1  -11   24    3 o   50.672   18.416   27.960   30.134   72.540   51.271   4.4337   37.246   74.496   24.134   45.352   19.154 29.14474 30.81066 
1 1 1  -11   24    4 o   73.789   18.609   73.057   34.284   63.780   37.391  122.031   85.907   69.282   20.302   94.861   31.267 -25.57899 37.27998 
1 1 1  -11   24    5 o  163.817   10.774  340.336   43.828  323.619   59.387  360.332   64.950  158.514   15.189  167.153   15.746 -8.638168 21.87761 
1 1 1  -11   24    6 o  135.594   11.159  233.816   37.451  227.869   49.995  241.420   56.532  132.773   15.363  136.215   16.989 -3.441269 22.90474 
1 1 1  -11   24    7 o  419.431   20.651  2283.88  216.297  2047.94  305.148  2522.13  306.637  386.105   31.935  432.579   28.547 -46.47424 42.83432 
1 1 1  -11   24    8 o  153.875   13.830  303.044   52.576  284.149   72.906  323.519   75.891  146.863   20.433  157.106   19.783 -10.24319 28.44025 
1 1 1  -11   24    9 o   35.220   14.954   0.9596   22.895   19.699   29.153 -29.1993   36.984   46.719   17.883   36.811   17.033 9.908760 24.69705 
1 1 1  -11   24   10 o  104.808   12.288  140.758   31.549  145.380   41.415  134.367   48.700  105.574   16.228  100.356   20.133 5.218582 25.85932 
1 1 1  -11   24   11 o  152.237   10.885  293.713   41.109  325.508   55.116  253.847   61.716  159.573   13.972  139.595   18.133 19.97798 22.89138 
1 1 1  -11   24   12 o   52.709   16.999   34.682   25.458   60.752   32.913  -4.1466   40.167   67.736   18.796   44.742   19.409 22.99360 27.01881 
1 1 1  -11   24   13 o  105.721   12.319  143.108   31.912  115.292   41.453  183.580   50.001   93.289   18.448  118.647   17.393 -25.35794 25.35377 
1 1 1  -11   24   14 o  278.536   12.023  979.877   83.625  1056.53  115.476  895.349  121.262  287.484   16.151  263.591   18.540 23.89322 24.58843 
1 1 1  -11   24   15 o  209.295   10.865  553.466   56.588  549.002   76.227  558.946   84.462  207.403   14.815  208.801   16.329 -1.398300 22.04800 
1 1 1  -11   24   16 o  276.922   13.805  971.691   95.464  1004.18  112.423  887.698  180.755  280.334   16.127  257.291   28.618 23.04364 32.84918 
1 1 1  -11   24   17 o   91.593   21.087  112.409   47.233  116.845   53.873   97.667   98.206   93.050   23.251   90.978   33.218 2.071899 40.54701 
1 1 1  -11   24   18 o  188.879   16.722  458.254   78.058  500.052   97.380  383.128  130.555  196.165   20.166  166.228   32.616 29.93727 38.34706 
1 1 1  -11   24   19 o  241.343   13.138  738.880   78.880  724.140  127.073  748.119  100.610  235.699   21.838  241.667   16.775 -5.968536 27.53722 
1 1 1  -11   24   20 o  126.818   11.882  204.668   37.191  197.709   49.296  213.863   56.661  123.579   16.378  128.096   18.227 -4.517067 24.50434 
1 1 1  -11   24   21 o  109.047   12.930  152.363   34.524  186.471   45.350  105.351   53.241  120.193   15.468   88.457   23.647 31.73628 28.25711 
1 1 1  -11   24   22 o  189.819   11.294  455.776   53.295  464.156   71.672  445.412   79.708  190.580   15.186  186.015   17.360 4.565506 23.06467 
1 1 1  -11   24   23 o  349.492   13.028  1544.78  113.699  1538.91  157.241  1551.21  164.602  346.269   18.249  347.230   19.056 -0.9610291 26.38470 
1 1 1  -11   24   24 o  417.292   14.700  2210.40  153.178  2234.30  213.005  2184.81  220.440  416.342   20.488  410.501   21.580 5.840332 29.75632 
1 1 1  -11   24   25 o  333.601   13.084  1408.26  108.998  1451.76  151.009  1360.95  157.487  336.259   18.050  324.794   19.508 11.46509 26.57697 
1 1 1  -11   24   26 o  283.888   12.024  1018.04   85.239  1101.57  117.080  923.832  124.340  293.580   16.031  267.643   18.722 25.93671 24.64732 
1 1 1  -11   24   27 o  325.087   12.413  1336.62  100.771  1329.38  138.856  1344.68  146.473  321.823   17.342  323.220   18.221 -1.397278 25.15495 
1 1 1  -11   24   28 o  123.525   13.957  196.115   42.298  165.526   59.586  227.185   60.053  110.956   22.279  131.655   18.800 -20.69867 29.15119 
1 1 1  -11   24   29 o  176.465   15.224  400.001   66.432  400.001   66.432   0.0000   0.0000  176.465   15.224  ?   ?  0.000000 15.22433 
1 1 1  -11   24   30 o  273.654   11.644  947.819   79.573  906.928  108.116  996.150  117.540  265.472   16.389  277.949   17.016 -12.47760 23.62521 
1 1 1  -11   24   31 o  155.807   11.507  309.076   44.455  273.169   58.417  358.477   68.521  144.953   16.429  166.161   16.742 -21.20818 23.45611 
1 1 1  -11   24   32 o  166.439   11.600  353.001   47.913  363.679   64.115  339.495   72.105  167.654   15.489  160.842   18.277 6.811951 23.95734 
1 1 1  -11   24   33 o   95.762   13.517  119.318   31.426  102.808   40.018  145.883   50.761   87.216   18.918  103.810   20.309 -16.59452 27.75508 
1 1 1  -11   24   34 o  104.853   13.204  142.669   33.805  144.292   43.776  140.271   53.208  104.055   17.466  100.996   21.741 3.058708 27.88756 
1 1 1  -11   24   35 o   97.163   13.603  123.359   32.100  121.895   41.148  125.636   51.306   95.098   17.986   95.112   22.034 -0.1390076E-01 28.44272 
1 1 1  -11   24   36 o  199.092   12.087  508.750   59.809  551.568   81.794  459.548   87.679  205.223   16.089  185.384   19.219 19.83846 25.06445 
1 1 1  -11   24   37 o  180.197   13.135  420.060   58.696  435.114   85.799  406.817   80.475  179.822   19.415  174.213   18.796 5.609314 27.02264 
1 1 1  -11   24   38 o  140.870   12.900  257.633   44.877  247.607   61.747  268.858   65.336  135.277   18.785  140.890   19.060 -5.612534 26.76124 
1 1 1  -11   24   39 o   87.247   18.770  105.135   39.682  117.001   41.450 -25.1372  137.341   92.204   18.643   72.640   33.326 19.56365 38.18604 
1 1 1  -11   24   40 o   65.491   31.011 -84.8328  134.997   0.0000   0.0000 -84.8328  134.997  ?   ?    65.491   31.011 0.000000 31.01114 
1 1 1  -11   24   41 o   72.946   31.369   39.143  103.091   23.609  149.004   53.406  142.780   79.244   35.705   82.044   36.070 -2.800415 50.75349 
1 1 1  -11   24   42 o  138.033   18.144  260.617   61.024  617.823  185.796  217.423   64.609  185.210   41.232  123.654   21.716 61.55563 46.60093 
1 1 1  -11   24   43 o   77.927   23.619   89.693   49.942   18.771  188.256   95.062   51.798   81.866   38.071   79.970   24.012 1.896133 45.01065 
1 1 1  -11   25    1 o  175.553   11.450  393.516   49.921  337.860   69.249  453.732   72.030  160.184   17.602  186.861   15.578 -26.67731 23.50566 
1 1 1  -11   25    2 o  140.213   18.664  260.564   63.727  215.461   80.486  336.350  104.332  123.637   26.839  154.547   28.068 -30.90912 38.83453 
1 1 1  -11   25    3 o   42.585   16.715   14.529   25.953   5.7185   37.353   22.751   36.085   45.655   19.226   50.830   19.778 -5.175110 27.58250 
1 1 1  -11   25    4 o  120.527   12.994  186.988   38.491  179.322   47.994  200.809   64.440  116.795   16.951  121.816   21.993 -5.021362 27.76716 
1 1 1  -11   25    5 o  166.652   11.012  352.959   45.568  307.657   61.752  407.114   67.517  153.903   16.317  177.616   15.374 -23.71291 22.41852 
1 1 1  -11   25    6 o   58.590   17.255   45.058   26.948   24.188   35.913   71.951   40.766   51.460   19.812   73.240   21.124 -21.78075 28.96089 
1 1 1  -11   25    7 o  122.565   11.640  191.836   35.199  199.124   46.660  182.211   53.620  123.885   15.416  117.315   18.949 6.569992 24.42773 
1 1 1  -11   25    8 o  229.192   11.127  664.034   63.682  686.770   87.143  637.976   93.292  231.408   15.164  222.273   16.935 9.134735 22.73192 
1 1 1  -11   25    9 o  195.349   14.241  488.320   68.994  500.683   97.060  475.692   98.092  195.494   20.172  190.132   21.011 5.362015 29.12665 
1 1 1  -11   25   10 o  213.978   14.572  585.742   77.401  608.141  109.316  563.225  109.607  215.549   20.558  206.915   21.528 8.634293 29.76718 
1 1 1  -11   25   11 o  181.032   11.012  415.269   49.545  459.060   66.845  361.883   73.806  189.469   14.232  166.879   17.996 22.59050 22.94320 
1 1 1  -11   25   12 o   97.504   13.353  122.747   31.658  115.724   40.889  133.257   50.022   93.398   18.186   99.675   20.771 -6.277702 27.60681 
1 1 1  -11   25   13 o  206.605   11.049  540.240   56.797  572.919   76.763  500.710   84.429  211.732   14.608  196.935   17.345 14.79715 22.67663 
1 1 1  -11   25   14 o  151.701   11.274  292.075   42.402  312.969   56.220  264.509   64.574  156.236   14.578  142.315   18.616 13.92085 23.64519 
1 1 1  -11   25   15 o  238.381   11.382  717.429   67.753  753.039   91.966  675.161  100.196  242.716   15.251  228.857   17.669 13.85889 23.34044 
1 1 1  -11   25   16 o  180.127   11.068  410.816   49.543  451.793   65.999  357.920   74.986  188.124   14.153  166.016   18.397 22.10785 23.21078 
1 1 1  -11   25   17 o  147.663   11.268  276.696   41.238  271.665   54.365  283.511   63.282  145.357   15.202  147.857   17.477 -2.499496 23.16384 
1 1 1  -11   25   18 o  269.075   11.976  914.780   80.470  968.898  110.041  852.575  117.977  275.181   16.083  257.067   18.502 18.11407 24.51522 
1 1 1  -11   25   19 o  134.166   14.589  231.244   48.090  247.726   52.773  150.530  116.783  138.674   15.505  106.250   36.469 32.42470 39.62759 
1 1 1  -11   25   20 o  291.521   17.574  1091.76  127.334  1036.83  165.707  1170.95  198.980  280.780   23.859  296.314   27.194 -15.53473 36.17741 
1 1 1  -11   25   21 o  238.036   16.307  726.157   96.346  623.198  119.267  919.545  163.456  218.018   22.217  263.574   25.139 -45.55638 33.54947 
1 1 1  -11   25   22 o  172.540   16.986  384.007   72.236  357.779   84.402  455.827  139.665  165.124   20.939  181.449   31.993 -16.32504 38.23583 
1 1 1  -11   25   23 o  438.483   17.102  2459.81  187.265  2143.66  313.962  2634.40  233.310  396.662   31.967  451.257   20.704 -54.59436 38.08648 
1 1 1  -11   25   24 o  228.484   11.749  661.231   66.807  659.711   90.309  663.068   99.288  226.836   16.046  226.792   17.671 0.4418945E-01 23.86945 
1 1 1  -11   25   25 o  206.693   11.443  541.178   58.833  505.312   78.596  586.888   88.728  198.343   16.005  213.560   16.772 -15.21713 23.18335 
1 1 1  -11   25   26 o  147.458   11.902  276.721   43.455  289.335   57.300  259.646   66.667  149.831   15.540  140.583   19.517 9.248123 24.94801 
1 1 1  -11   25   27 o  133.751   16.489  232.325   53.907  212.702   98.575  240.697   64.388  122.436   31.915  135.120   19.659 -12.68406 37.48374 
1 1 1  -11   25   28 o  170.510   13.943  372.462   58.849  343.538   63.340  555.024  159.131  163.140   15.743  198.141   33.345 -35.00079 36.87482 
1 1 1  -11   25   29 o  114.430   13.068  168.532   36.673  179.378   47.583  152.664   57.553  117.026   16.761  105.948   22.451 11.07781 28.01760 
1 1 1  -11   25   30 o  255.759   11.358  828.901   72.540  838.983   99.291  817.360  106.235  255.192   15.656  251.161   17.039 4.031769 23.13980 
1 1 1  -11   25   31 o  192.439   11.579  471.691   55.384  459.640   73.942  487.093   83.593  188.340   15.869  193.166   17.520 -4.825897 23.63899 
1 1 1  -11   25   32 o  155.949   11.675  310.830   45.135  291.083   59.293  338.038   69.598  149.316   16.160  160.372   17.672 -11.05606 23.94655 
1 1 1  -11   25   33 o   72.317   16.274   70.301   28.679   69.615   35.844   71.523   47.812   71.509   19.524   72.946   23.271 -1.436691 30.37675 
1 1 1  -11   25   34 f   72.217   16.216   70.292   28.528   73.395   35.368   64.514   48.263   73.239   19.129   69.963   23.448 3.275772 30.26148 
1 1 1  -11   25   35 o   78.155   15.820   82.085   29.816   97.230   37.470   55.938   49.231   84.406   18.304   66.633   23.621 17.77322 29.88314 
1 1 1  -11   25   36 o  229.458   13.584  681.781   77.490  714.808  117.580  656.423  103.029  229.669   20.725  221.571   18.798 8.097794 27.97997 
1 1 1  -11   25   37 o  141.121   12.999  258.800   45.293  253.896   62.365  264.273   65.889  136.989   18.721  139.382   19.461 -2.393265 27.00366 
1 1 1  -11   25   38 f  155.402   17.181  322.942   65.559  334.364   71.740  265.098  161.443  157.267   18.629  120.957   42.786 36.30939 46.66616 
1 1 1  -11   25   39 o   89.286   18.576  110.231   40.068  115.190   41.555   44.630  151.148   91.192   18.870   82.974   36.766 8.217926 41.32563 
1 1 1  -11   25   40 o   91.204   17.707  114.404   38.875   98.277   40.097  366.951  158.676   83.634   19.550  140.984   41.958 -57.34977 46.28926 
1 1 1  -11   25   41 o   57.927   27.320 -65.2863  102.868 -61.7569  140.514 -69.3624  151.006   67.821   31.969   69.334   32.821 -1.512718 45.81760 
1 1 1  -11   25   42 o   70.755   23.083   71.731   46.868   61.805  156.720   72.706   49.115   82.904   37.042   71.229   23.649 11.67511 43.94764 
1 1 1  -11   25   43 o   64.733   22.922   57.536   46.349  248.325  170.723   42.355   48.158  108.311   42.757   59.651   22.949 48.65977 48.52656 
1 1 1  -11   26    1 o  197.342   11.298  498.815   55.443  433.108   77.441  567.909   79.412  180.751   17.371  208.433   15.365 -27.68149 23.19132 
1 1 1  -11   26    2 o  219.557   16.312  631.048   88.794   0.0000   0.0000  631.048   88.794  ?   ?   219.557   16.312 0.000000 16.31179 
1 1 1  -11   26    3 o   98.305   19.723  131.621   46.733  131.621   46.733   0.0000   0.0000   98.305   19.723  ?   ?  0.000000 19.72283 
1 1 1  -11   26    4 o   82.012   23.614   93.121   50.981  136.282   61.952   2.5801   89.730   98.352   25.131   65.987   28.813 32.36499 38.23291 
1 1 1  -11   26    5 o  151.548   11.037  292.875   41.483  346.310   57.205  233.609   60.245  163.823   14.121  132.613   18.712 31.20964 23.44245 
1 1 1  -11   26    6 o  141.994   11.311  257.343   39.773  259.367   54.120  254.966   58.648  141.194   15.611  139.385   17.215 1.808716 23.23903 
1 1 1  -11   26    7 o   70.083   16.639   65.791   28.685   61.899   38.315   70.753   43.267   68.237   20.689   72.661   21.975 -4.423950 30.18143 
1 1 1  -11   26    8 o  202.255   11.041  519.414   55.551  505.001   75.371  536.554   82.194  197.883   15.373  203.608   16.302 -5.724716 22.40781 
1 1 1  -11   26    9 o  281.430   11.876  1004.42   83.462  955.466  114.596  1059.72  121.799  271.836   16.966  286.244   17.118 -14.40778 24.10149 
1 1 1  -11   26   10 o  232.966   11.392  687.105   66.273  713.675   90.626  656.563   97.163  235.589   15.491  225.060   17.424 10.52823 23.31454 
1 1 1  -11   26   11 o  159.096   12.033  322.552   47.453  366.868   59.016  241.497   79.815  169.116   14.103  133.021   24.944 36.09531 28.65498 
1 1 1  -11   26   12 o  218.097   14.787  609.703   80.058  565.485  112.804  654.580  113.640  206.689   22.203  223.368   20.606 -16.67928 30.29152 
1 1 1  -11   26   13 o  232.857   11.636  686.131   67.660  794.476   92.401  560.882   99.348  249.089   14.924  207.290   19.419 41.79861 24.49098 
1 1 1  -11   26   14 o  108.543   13.164  151.655   34.951  148.698   45.091  156.105   55.319  106.251   17.611  107.769   21.311 -1.517906 27.64591 
1 1 1  -11   26   15 o  149.286   11.574  283.459   42.810  290.339   56.326  274.048   65.874  150.110   15.237  144.682   18.668 5.427719 24.09719 
1 1 1  -11   26   16 o  153.537   11.372  299.504   43.290  288.229   56.987  314.888   66.567  149.504   15.489  155.705   17.418 -6.201309 23.30886 
1 1 1  -11   26   17 o  114.774   12.839  168.986   36.167  183.234   47.075  148.460   56.503  118.649   16.320  104.835   22.270 13.81367 27.61020 
1 1 1  -11   26   18 o  154.811   11.383  304.416   43.698  260.918   57.013  366.354   68.032  141.929   16.387  168.473   16.378 -26.54391 23.16860 
1 1 1  -11   26   19 o   76.506   16.700   77.731   31.009   70.052   39.619   89.874   49.821   72.528   20.798   81.681   23.289 -9.153839 31.22350 
1 1 1  -11   26   20 o  173.089   11.321  380.071   48.663  371.369   64.176  391.844   74.646  169.991   15.281  173.928   17.421 -3.937653 23.17316 
1 1 1  -11   26   21 o   97.164   14.524  122.668   34.160  145.298   43.904   87.954   54.377  105.146   17.324   81.136   24.657 24.00978 30.13464 
1 1 1  -11   26   22 o   90.213   15.829  106.846   34.358  118.146   43.076   87.083   56.965   94.133   18.980   80.996   25.347 13.13713 31.66592 
1 1 1  -11   26   23 o  132.150   15.146  225.542   49.081  218.385   52.363  277.312  140.833  129.592   16.559  136.873   39.200 -7.280899 42.55431 
1 1 1  -11   26   24 o  268.686   16.755  929.548  111.862  774.490  137.519  1232.80  192.315  241.894   23.045  303.714   25.596 -61.81984 34.44110 
1 1 1  -11   26   25 o  134.790   18.427  238.505   60.399  235.041   67.059  253.392  139.020  132.895   20.897  130.542   39.370 2.353897 44.57196 
1 1 1  -11   26   26 o  261.700   17.360  885.929  112.804  813.717  138.666  1027.21  193.960  247.757   22.664  273.930   28.785 -26.17233 36.63643 
1 1 1  -11   26   27 o  188.499   13.675  455.109   63.931  488.987   94.115  426.083   87.115  192.837   19.827  179.945   19.709 12.89249 27.95605 
1 1 1  -11   26   28 o   66.724   18.623   59.594   32.211   95.894   41.830   6.7143   50.487   84.052   20.184   52.468   22.237 31.58455 30.03108 
1 1 1  -11   26   29 o   47.375   17.715   22.763   28.223   31.965   35.789   7.6294   45.895   54.332   20.021   50.498   21.291 3.834206 29.22532 
1 1 1  -11   26   30 f   82.442   17.137   91.145   34.129  100.685   45.314   78.639   51.881   85.644   21.282   76.407   24.227 9.237411 32.24708 
1 1 1  -11   26   31 o  297.177   15.106  1141.14  111.735  1186.22  178.383  1112.03  143.339  295.193   24.418  289.779   19.929 5.413788 31.51872 
1 1 1  -11   26   32 o  120.902   14.117  190.364   41.820  190.106   56.444  190.678   62.268  118.592   19.754  117.762   21.983 0.8300934 29.55480 
1 1 1  -11   26   33 o  112.597   14.186  165.837   39.003  172.041   52.456  158.168   58.326  112.648   19.345  106.456   22.637 6.192131 29.77651 
1 1 1  -11   26   34 o   89.648   15.858  107.501   34.203  129.910   44.628   75.601   53.246   97.513   19.010   74.422   24.620 23.09048 31.10507 
1 1 1  -11   26   35 o  168.778   13.342  369.688   55.776  384.878   79.040  354.622   78.719  169.011   19.060  161.630   19.925 7.381332 27.57378 
1 1 1  -11   26   36 o  266.090   19.117  952.564  126.178  1009.71  154.235  836.922  219.404  269.591   23.134  223.543   40.807 46.04817 46.90867 
1 1 1  -11   26   37 o   98.652   18.409  133.523   43.683  131.247   45.584  159.116  152.863   97.318   19.437  100.672   40.229 -3.353683 44.67895 
1 1 1  -11   26   38 o  239.145   18.370  770.619  108.863  791.965  128.420  716.106  205.224  239.005   21.755  202.307   41.997 36.69772 47.29715 
1 1 1  -11   26   39 o   67.127   18.315   62.692   31.554   61.696   32.198   86.843  158.535   66.576   18.632   88.438   38.463 -21.86224 42.73813 
1 1 1  -11   26   40 o  236.001   15.546  739.622   91.106  773.978  101.003  589.639  211.033  240.098   16.955  169.630   47.781 70.46771 50.70002 
1 1 1  -11   26   41 o  115.100   13.002  174.703   36.715  181.854   46.743  163.184   59.322  115.570   16.679  105.505   23.152 10.06561 28.53429 
1 1 1  -11   26   42 o   41.564   18.749 -12.6293   41.222   47.385  152.175 -17.3817   42.823   79.505   35.928   41.360   18.835 38.14589 40.56637 
1 1 1  -11   27    1 o  122.256   17.169  202.148   50.973   0.0000   0.0000  202.148   50.973  ?   ?   122.256   17.169 0.000000 17.16945 
1 1 1  -11   27    2 o   56.116   21.470   33.701   42.006   33.701   42.006   0.0000   0.0000   56.116   21.470  ?   ?  0.000000 21.46976 
1 1 1  -11   27    3 o   72.414   16.088   71.161   28.337   90.348   42.229   55.443   38.220   80.289   20.869   64.293   20.838 15.99603 29.49156 
1 1 1  -11   27    4 o   98.669   13.539  127.599   32.480  100.862   46.201  153.724   45.671   84.817   21.719  106.819   17.744 -22.00227 28.04578 
1 1 1  -11   27    5 o   58.822   17.714   46.115   28.158   76.350   39.531   14.975   40.118   74.401   20.582   49.532   20.308 24.86946 28.91430 
1 1 1  -11   27    6 o   58.911   22.889   33.683   48.279   37.110   56.289   24.144   93.903   62.546   24.596   70.715   30.160 -8.169323 38.91766 
1 1 1  -11   27    7 o  150.263   11.333  288.726   42.211  318.562   57.548  253.981   62.102  156.578   14.898  138.201   18.456 18.37718 23.71821 
1 1 1  -11   27    8 o   81.774   15.671   88.951   30.837   64.774   41.582  118.494   45.966   69.594   21.636   93.171   20.328 -23.57692 29.68758 
1 1 1  -11   27    9 o  222.566   11.395  630.667   63.121  632.001   85.839  629.097   93.139  220.928   15.661  219.664   17.115 1.264084 23.19828 
1 1 1  -11   27   10 o   47.442   17.574   23.489   27.647 -17.3453   36.420   79.019   42.471   38.846   17.564   76.204   21.425 -37.35717 27.70385 
1 1 1  -11   27   11 o  121.092   12.724  188.631   37.901  209.056   49.501  159.691   58.923  126.514   16.028  108.020   22.571 18.49377 27.68293 
1 1 1  -11   27   12 o  173.376   11.327  382.572   48.773  394.194   64.778  367.359   74.111  174.779   14.987  167.488   18.002 7.290573 23.42372 
1 1 1  -11   27   13 o  216.609   11.615  596.579   62.599  700.873   84.455  469.418   93.255  233.668   14.546  188.628   20.108 45.04025 24.81726 
1 1 1  -11   27   14 o   82.734   19.220   92.347   38.951  117.017   55.103   67.709   55.068   92.202   23.778   73.149   25.044 19.05290 34.53424 
1 1 1  -11   27   15 o  119.558   16.189  186.664   47.092  253.947   67.347  122.292   65.874  138.318   20.085   93.894   26.782 44.42439 33.47674 
1 1 1  -11   27   16 o   78.498   16.450   81.975   31.214   74.691   39.829   93.571   50.252   74.456   20.682   82.881   23.306 -8.425018 31.15966 
1 1 1  -11   27   17 o   67.167   17.660   60.318   30.014   90.301   38.506   13.904   47.909   81.878   19.171   53.384   22.072 28.49412 29.23525 
1 1 1  -11   27   18 o   35.795   15.669  -5.0907   26.688  -9.1062   33.706   1.6575   43.695   39.343   17.401   47.976   20.520 -8.632656 26.90509 
1 1 1  -11   27   19 o  130.637   12.163  218.236   39.224  205.355   50.627  237.578   62.040  125.427   16.569  134.184   19.050 -8.756989 25.24737 
1 1 1  -11   27   20 o   62.224   18.199   51.101   30.070   45.656   38.235   59.928   48.684   61.063   20.869   69.175   23.549 -8.111599 31.46492 
1 1 1  -11   27   21 o  205.836   11.492  538.182   58.834  502.116   77.686  586.689   90.094  197.259   15.906  212.797   17.099 -15.53819 23.35315 
1 1 1  -11   27   22 o  132.802   12.311  225.693   40.362  219.757   52.228  234.494   63.596  129.796   16.485  132.962   19.754 -3.165466 25.72935 
1 1 1  -11   27   23 o  134.437   12.379  231.389   41.091  213.844   53.100  257.579   64.876  127.775   17.069  139.659   19.103 -11.88427 25.61760 
1 1 1  -11   27   24 o  207.217   11.567  546.074   59.614  512.851   78.579  591.124   91.502  199.172   15.932  213.266   17.331 -14.09406 23.54165 
1 1 1  -11   27   25 o  141.436   12.158  255.975   42.522  237.982   54.727  283.385   67.548  134.933   16.591  146.488   18.907 -11.55479 25.15415 
1 1 1  -11   27   26 o  126.425   14.345  207.102   44.487  150.093   61.374  270.217   64.577  104.056   24.094  143.045   18.513 -38.98883 30.38473 
1 1 1  -11   27   27 o  201.371   15.523  525.063   77.458  525.063   77.458   0.0000   0.0000  201.371   15.523  ?   ?  0.000000 15.52322 
1 1 1  -11   27   28 o   47.982   18.637   20.414   32.001   18.141   32.954   57.987  133.992   47.540   18.780   86.536   36.426 -38.99622 40.98208 
1 1 1  -11   27   29 o  169.494   17.406  377.856   72.627  378.730   81.441  374.464  160.505  168.509   19.727  152.350   41.198 16.15924 45.67785 
1 1 1  -11   27   30 f  102.240   19.017  141.505   46.767  121.936   49.336  314.805  146.821   93.853   21.511  139.461   40.049 -45.60765 45.46060 
1 1 1  -11   27   31 o   76.617   20.732   81.153   40.631   73.367   42.178  181.471  151.400   73.046   21.608  108.648   40.952 -35.60219 46.30286 
1 1 1  -11   27   32 o  147.403   17.729  289.600   63.951  292.910   69.696  271.969  160.852  147.356   19.413  125.700   42.804 21.65617 47.00057 
1 1 1  -11   27   33 o   79.682   20.339   88.496   40.607   93.583   42.235   26.270  147.712   81.846   20.662   81.738   36.276 0.1086807 41.74705 
1 1 1  -11   27   34 o  144.533   17.064  278.944   60.402  255.489   64.863  432.047  165.723  136.915   19.524  158.011   41.475 -21.09541 45.84050 
1 1 1  -11   27   35 o  209.904   17.984  590.605   93.357  608.677  107.308  534.340  189.340  210.874   20.642  172.201   43.899 38.67259 48.50986 
1 1 1  -11   27   36 o  120.672   18.417  198.632   53.741  214.410   56.942   70.035  162.563  125.249   18.785   87.678   38.519 37.57085 42.85575 
1 1 1  -11   27   37 o   91.919   17.797  116.173   39.374  109.680   40.551  223.182  164.624   88.785   18.871  110.482   42.447 -21.69685 46.45319 
1 1 1  -11   27   38 o  114.618   16.609  177.622   46.154  190.200   47.942   18.338  170.608  118.654   16.637   81.574   37.321 37.07909 40.86153 
1 1 1  -11   27   39 o   58.548   18.599   46.629   30.564   49.276   31.118 -25.7520  162.731   59.947   18.730   75.253   35.129 -15.30630 39.80989 
1 1 1  -11   27   40 o  138.374   13.080  251.947   44.663  262.764   57.714  235.797   70.518  138.997   16.980  127.432   23.006 11.56464 28.59433 
1 1 1  -11   27   41 o  140.515   13.211  260.827   45.811  242.002   59.382  288.503   72.000  131.943   18.534  142.397   20.867 -10.45399 27.90918 
1 1 1  -11   27   42 o   59.843   17.075   50.227   26.771   55.170   31.561   37.547   50.548   62.390   18.746   58.387   23.197 4.003242 29.82431 
1 1 1  -11   28    1 o   30.409   13.905 -13.2737   23.642   7.5462   44.601 -21.4103   27.882   48.035   20.644   31.460   14.637 16.57558 25.30638 
1 1 1  -11   28    2 o  118.840   15.466  190.091   44.809  254.630   80.002  160.589   54.089  130.586   25.448  105.842   21.204 24.74353 33.12386 
1 1 1  -11   28    3 o   55.883   17.429   42.193   26.959   62.043   43.312   29.639   34.445   66.905   22.208   51.697   19.522 15.20778 29.56867 
1 1 1  -11   28    4 o   38.666   15.870   8.4713   24.531 -19.2304   39.398   26.010   31.349   39.538   18.029   49.271   18.619 -9.733547 25.91789 
1 1 1  -11   28    5 o  144.840   11.700  271.086   41.957  314.917   58.946  226.075   59.734  154.291   15.509  128.585   19.191 25.70642 24.67409 
1 1 1  -11   28    6 o  202.713   11.131  527.039   56.129  544.089   77.265  507.987   81.676  203.613   15.308  195.692   16.879 7.920624 22.78646 
1 1 1  -11   28    7 o  126.962   12.271  208.596   38.418  240.034   52.460  172.235   56.419  134.750   15.896  111.543   21.026 23.20776 26.35891 
1 1 1  -11   28    8 o  120.257   21.215  199.056   61.382  158.978   73.750  289.402  110.731  104.126   27.830  137.814   32.672 -33.68819 42.91826 
1 1 1  -11   28    9 o   70.221   19.901   67.494   36.494   68.274   60.293   67.043   45.847   73.060   26.115   70.564   22.817 2.496231 34.67884 
1 1 1  -11   28   10 o  101.312   14.001  134.327   34.476   88.102   46.265  192.048   51.700   79.663   22.349  119.978   17.795 -40.31557 28.56786 
1 1 1  -11   28   11 o  195.446   11.255  487.527   54.698  540.685   73.835  422.866   81.432  204.401   14.560  178.684   18.519 25.71754 23.55748 
1 1 1  -11   28   12 o  195.869   11.556  489.850   56.271  495.865   74.656  481.937   85.627  195.409   15.425  191.233   18.148 4.175461 23.81754 
1 1 1  -11   28   13 o  151.982   11.829  295.709   44.540  368.100   59.143  200.865   67.697  168.807   14.161  120.671   23.309 48.13572 27.27370 
1 1 1  -11   28   14 o   72.624   16.979   71.012   30.241   60.045   38.784   88.020   48.299   67.212   20.895   80.000   22.970 -12.78790 31.05178 
1 1 1  -11   28   15 o  130.460   12.167  218.454   39.181  244.331   51.034  181.306   61.146  137.046   15.166  115.214   22.056 21.83175 26.76734 
1 1 1  -11   28   16 o  111.945   13.702  162.506   37.503  167.654   46.397  152.802   63.699  112.644   17.025  104.608   24.768 8.036255 30.05520 
1 1 1  -11   28   17 o  153.032   15.118  303.689   57.018  350.646   81.559  258.801   79.742  162.104   20.614  137.291   24.140 24.81303 31.74416 
1 1 1  -11   28   18 o  140.377   15.575  256.503   53.676  191.864   76.631  318.764   75.208  116.645   26.862  154.808   19.916 -38.16335 33.44030 
1 1 1  -11   28   19 o   76.387   16.974   78.308   31.538   61.730   40.026  105.452   51.217   68.218   21.230   87.364   23.117 -19.14558 31.38706 
1 1 1  -11   28   20 o  203.994   11.596  530.229   58.828  579.525   77.928  464.919   89.697  211.979   14.815  187.586   19.430 24.39294 24.43347 
1 1 1  -11   28   21 o  103.315   14.187  139.104   35.637  127.373   45.545  157.625   57.229   97.098   19.461  107.291   22.096 -10.19285 29.44442 
1 1 1  -11   28   22 o  189.424   11.594  457.611   54.578  449.854   71.532  468.418   84.431  186.276   15.519  188.863   18.125 -2.587051 23.86092 
1 1 1  -11   28   23 o  350.572   13.562  1572.77  118.728  1578.14  162.539  1566.63  173.843  346.839   18.837  344.225   20.314 2.613617 27.70352 
1 1 1  -11   28   24 o  245.849   12.090  770.018   74.226  744.958   98.866  802.390  112.370  239.176   16.657  247.204   18.334 -8.027710 24.77059 
1 1 1  -11   28   25 o  115.655   22.076  183.467   61.431   0.0000   0.0000  183.467   61.431  ?   ?   115.655   22.076 0.000000 22.07566 
1 1 1  -11   28   26 o  138.789   16.058  252.626   54.627  252.626   54.627   0.0000   0.0000  138.789   16.058  ?   ?  0.000000 16.05803 
1 1 1  -11   28   27 o  167.415   12.062  359.562   50.090  353.592   64.719  368.479   79.101  164.384   15.968  166.064   19.443 -1.680405 25.15912 
1 1 1  -11   28   28 o  309.220   12.959  1226.41  100.064  1224.56  135.626  1228.62  148.236  304.903   17.891  303.800   19.645 1.103424 26.57088 
1 1 1  -11   28   29 o  176.883   11.898  401.753   52.247  407.322   68.492  394.001   80.800  176.326   15.720  171.464   19.200 4.862244 24.81466 
1 1 1  -11   28   30 o  158.384   11.427  322.119   44.890  283.969   57.732  380.456   71.391  146.708   16.019  169.424   17.108 -22.71681 23.43700 
1 1 1  -11   28   31 f   51.150   17.513   32.518   26.928   42.730   32.341   9.4372   48.623   57.486   19.195   51.421   21.810 6.064522 29.05370 
1 1 1  -11   28   32 o   58.417   17.586   45.990   27.756   29.058   33.243   84.967   50.437   51.481   19.231   77.450   23.788 -25.96875 30.58917 
1 1 1  -11   28   33 o   84.784   15.847   97.087   32.318   80.414   39.777  129.472   55.435   75.629   20.533   94.739   23.537 -19.11012 31.23457 
1 1 1  -11   28   34 o  139.607   12.537  253.565   43.243  263.236   55.519  238.650   68.948  140.479   16.118  130.252   21.980 10.22636 27.25652 
1 1 1  -11   28   35 o  119.249   12.966  186.272   37.988  167.141   47.758  219.227   62.683  110.612   17.902  125.282   20.763 -14.66966 27.41471 
1 1 1  -11   28   36 o   92.077   22.789  122.974   52.118   65.147  110.975  139.337   59.033   78.687   33.138   97.269   24.357 -18.58140 41.12654 
1 1 1  -11   28   37 o   72.635   16.741   72.913   29.742   63.536   35.299   95.866   55.227   67.251   19.732   80.624   24.913 -13.37253 31.78064 
1 1 1  -11   28   38 o  123.640   12.856  200.913   39.113  205.068   49.229  193.802   64.409  123.056   16.431  115.372   23.161 7.683762 28.39703 
1 1 1  -11   28   39 o   45.510   16.644   23.985   24.670   22.826   28.283   27.675   50.450   46.349   17.644   55.972   22.840 -9.622215 28.86192 
1 1 1  -11   28   40 o   46.023   16.634   25.320   24.534   35.296   28.198  -5.7541   49.768   52.071   17.917   47.080   20.966 4.991253 27.57941 
1 1 1  -11   28   41 o  102.588   14.696  142.529   36.573  148.514   45.372  131.426   61.797  102.630   18.379   91.555   25.880 11.07526 31.74167 
1 1 1  -11   29    1 o   28.345   13.231 -18.6044   23.079  -9.1030   45.161 -21.9627   26.849   43.536   19.633   30.327   14.193 13.20913 24.22586 
1 1 1  -11   29    2 f   53.608   17.337   39.518   26.467   55.825   46.554   31.731   32.172   63.241   22.905   50.975   18.943 12.26606 29.72316 
1 1 1  -11   29    3 o  105.442   13.354  148.525   34.373  232.362   52.971   87.549   45.176  130.030   16.699   76.606   22.278 53.42333 27.84229 
1 1 1  -11   29    4 o   48.664   18.186   27.132   29.732   0.3412   62.463   34.980   33.807   53.351   23.638   53.294   19.485 0.5707550E-01 30.63356 
1 1 1  -11   29    5 o   62.063   17.524   53.680   28.351   55.103   44.140   52.681   36.990   63.813   22.391   61.917   20.522 1.896679 30.37276 
1 1 1  -11   29    6 o   70.480   16.987   68.921   29.547   96.612   44.306   46.744   39.651   81.858   21.425   59.986   21.206 21.87154 30.14503 
1 1 1  -11   29    7 o   47.388   17.291   25.839   26.603   4.8718   39.637   43.026   35.886   45.607   19.527   57.861   20.195 -12.25426 28.09180 
1 1 1  -11   29    8 o   71.617   17.008   70.605   29.964   52.030   42.575   88.837   42.179   63.087   21.998   79.140   20.997 -16.05341 30.41035 
1 1 1  -11   29    9 o  135.643   11.886  238.130   39.855  282.404   54.669  187.910   58.225  146.240   15.192  116.201   20.831 30.03947 25.78200 
1 1 1  -11   29   10 o  112.557   22.726  179.024   61.678  188.923   72.738  153.693  116.356  113.700   26.162   99.455   36.182 14.24443 44.64925 
1 1 1  -11   29   11 o   68.086   24.481   58.928   53.061  100.201   60.534 -77.9627  110.243   83.600   26.124   60.179   28.352 23.42031 38.55223 
1 1 1  -11   29   12 o   71.766   17.629   70.458   31.366   38.870   40.932  115.391   48.819   58.058   21.408   90.642   21.828 -32.58429 30.57420 
1 1 1  -11   29   13 o   76.984   16.621   80.249   31.018   87.577   39.947   69.122   49.224   79.497   20.108   71.570   23.672 7.927101 31.05943 
1 1 1  -11   29   14 o   69.268   17.761   65.436   30.868   92.734   39.739   23.912   49.012   82.006   19.660   55.904   22.624 26.10260 29.97257 
1 1 1  -11   29   15 o   60.838   17.939   49.686   29.111   70.612   37.622   18.467   45.954   71.710   20.166   53.137   21.754 18.57342 29.66340 
1 1 1  -11   29   16 o   83.243   15.795   92.661   31.632   97.374   40.322   85.119   51.007   84.194   19.553   78.311   23.899 5.883324 30.87824 
1 1 1  -11   29   17 o  102.120   14.015  136.538   34.798  160.637   44.602   99.046   55.631  109.890   16.786   83.924   24.813 25.96630 29.95752 
1 1 1  -11   29   18 o  196.785   11.731  495.689   57.384  545.787   75.422  426.827   88.425  205.049   14.830  178.286   20.219 26.76335 25.07429 
1 1 1  -11   29   19 o   82.104   20.575   93.089   42.100  112.615   61.105   75.444   58.087   89.042   25.914   75.331   25.722 13.71136 36.51275 
1 1 1  -11   29   20 o  167.604   15.206  366.195   62.951  366.568   90.643  365.849   87.492  163.564   22.813  163.945   21.919 -0.3806915 31.63689 
1 1 1  -11   29   21 o  114.013   16.580  172.415   45.822  141.081   70.032  195.871   60.591   98.799   27.418  119.686   21.041 -20.88692 34.56121 
1 1 1  -11   29   22 o   75.307   17.455   77.012   32.183   92.829   40.864   51.178   52.226   82.056   20.101   65.772   24.193 16.28418 31.45391 
1 1 1  -11   29   23 o  227.371   11.642  661.440   65.877  639.718   86.922  690.756  100.980  221.352   15.830  228.742   17.819 -7.389572 23.83457 
1 1 1  -11   29   24 o  174.555   14.406  396.047   62.233  343.570   98.076  431.418   80.519  155.772   26.139  180.219   18.138 -24.44733 31.81535 
1 1 1  -11   29   25 o  117.948   16.627  184.965   47.615  180.711   49.693  232.676  166.422  116.106   17.699  117.809   43.208 -1.702522 46.69261 
1 1 1  -11   29   26 o  107.092   13.897  150.300   36.289  132.025   45.723  181.406   59.653   98.177   19.338  114.357   21.682 -16.18015 29.05304 
1 1 1  -11   29   27 f  236.833   12.263  721.518   72.274  750.999   95.531  682.058  110.524  239.138   16.091  224.976   19.877 14.16203 25.57387 
1 1 1  -11   29   28 o  174.719   11.728  392.840   50.872  390.049   65.704  397.017   80.382  172.247   15.439  171.580   19.084 0.6670227 24.54692 
1 1 1  -11   29   29 o   68.133   17.566   63.789   30.077   69.684   37.075   52.440   51.439   70.801   20.057   65.297   24.011 5.503822 31.28572 
1 1 1  -11   29   30 o   32.075   14.397  -9.3162   23.965 -20.2976   28.714   15.892   43.505   32.621   15.064   50.822   21.025 -18.20083 25.86467 
1 1 1  -11   29   31 o   65.444   17.468   59.030   29.080   61.903   35.828   53.482   49.782   66.814   19.950   65.012   23.664 1.802284 30.95120 
1 1 1  -11   29   32 o  117.634   13.411  181.836   38.692  166.723   49.421  205.770   62.192  110.119   18.637  120.973   21.368 -10.85395 28.35412 
1 1 1  -11   29   33 o  169.168   12.109  371.327   50.815  371.800   65.957  370.636   79.705  166.967   16.016  163.983   19.870 2.984161 25.52081 
1 1 1  -11   29   34 o   50.856   17.583   32.580   27.173   40.493   32.545   14.365   49.376   55.944   19.249   52.368   22.081 3.575844 29.29346 
1 1 1  -11   29   35 o   72.003   16.996   71.891   30.068   56.703   36.601  103.419   52.734   63.973   20.356   83.714   23.991 -19.74117 31.46307 
1 1 1  -11   29   36 o   59.708   17.568   49.248   27.947   49.643   33.316   48.310   51.335   60.238   19.448   62.825   23.806 -2.587536 30.74013 
1 1 1  -11   29   37 o  130.176   19.569  237.040   61.644  299.286  128.587  218.466   70.242  128.394   37.657  121.745   23.958 6.649307 44.63221 
1 1 1  -11   29   38 o  143.118   12.813  269.594   45.309  282.959   57.703  248.103   73.171  144.446   16.281  129.949   23.410 14.49744 28.51452 
1 1 1  -11   29   39 o   47.994   16.986   28.741   25.447   19.651   29.144   57.904   52.202   45.146   17.716   65.402   24.165 -20.25538 29.96291 
1 1 1  -11   29   40 o   88.086   15.976  107.331   33.849  113.491   40.546   93.165   61.484   89.069   18.819   77.535   26.464 11.53381 32.47268 
1 1 1  -11   30    1 o   43.172   19.958 -18.8957   50.601   4.0483   58.570 -86.4183  100.478   50.327   22.554   50.924   24.774 -0.5961876 33.50280 
1 1 1  -11   30    2 o   65.821   17.131   63.066   28.430  104.699   51.410   44.725   34.122   80.499   23.866   56.215   19.689 24.28389 30.93907 
1 1 1  -11   30    3 o   80.154   15.868   90.572   30.638   73.784   50.482  100.362   38.550   69.137   23.963   82.521   19.087 -13.38479 30.63556 
1 1 1  -11   30    4 o   50.721   17.220   34.620   26.031   36.820   45.673   33.561   31.680   56.064   22.121   51.397   18.852 4.666702 29.06388 
1 1 1  -11   30    5 o   85.915   15.299  101.872   31.620  193.756   50.394   42.206   40.609  117.467   17.731   57.169   21.275 60.29771 27.69543 
1 1 1  -11   30    6 o   77.047   18.982   85.569   36.283   73.570   67.682   90.408   42.981   71.692   27.295   78.081   21.405 -6.388397 34.68674 
1 1 1  -11   30    7 o  164.944   11.501  354.705   47.076  457.380   66.458  251.303   66.693  185.176   14.487  132.486   20.848 52.69048 25.38710 
1 1 1  -11   30    8 o   56.046   17.863   42.806   28.175   86.575   43.041   9.9881   37.270   77.013   21.538   45.572   19.199 31.44078 28.85269 
1 1 1  -11   30    9 o   64.298   17.650   57.759   29.200   64.971   42.358   51.228   40.309   67.771   21.934   61.762   21.412 6.009449 30.65262 
1 1 1  -11   30   10 o  137.197   11.759  244.789   39.899  336.819   55.407  145.661   57.504  159.807   14.026   99.637   23.494 60.17050 27.36210 
1 1 1  -11   30   11 o   52.532   18.133   35.023   28.891   33.084   39.737   37.196   42.079   54.802   20.902   57.005   21.565 -2.202362 30.03207 
1 1 1  -11   30   12 o   61.228   21.054   49.344   38.931   45.723   41.446   76.491  113.486   60.226   21.639   81.449   33.848 -21.22334 40.17323 
1 1 1  -11   30   13 o   57.202   22.996   29.288   50.276   53.825   55.083 -93.1651  123.054   66.140   24.746   61.461   29.248 4.678970 38.31218 
1 1 1  -11   30   14 o   45.465   17.686   19.196   28.848   24.367   37.491   11.691   45.169   51.108   20.081   50.273   21.155 0.8344803 29.16789 
1 1 1  -11   30   15 o  168.074   11.743  364.411   48.976  397.036   64.639  320.434   75.047  173.725   15.048  152.912   20.144 20.81294 25.14421 
1 1 1  -11   30   16 o   83.488   16.596   94.648   33.381  112.163   42.964   67.969   53.025   89.806   19.700   71.032   24.562 18.77339 31.48640 
1 1 1  -11   30   17 o  153.381   11.908  303.687   45.252  337.634   58.832  254.506   70.813  160.355   14.861  135.349   21.683 25.00665 26.28708 
1 1 1  -11   30   18 o  127.936   12.564  212.523   39.622  217.126   50.821  205.389   63.270  127.704   16.309  121.406   21.664 6.298378 27.11642 
1 1 1  -11   30   19 o   63.274   18.163   54.657   30.204   99.504   38.441 -17.7047   48.829   84.984   18.628   45.132   20.378 39.85134 27.60862 
1 1 1  -11   30   20 o   74.961   16.990   76.744   31.069   81.830   39.063   67.987   51.258   76.581   20.153   70.983   24.163 5.598724 31.46427 
1 1 1  -11   30   21 o   72.237   17.543   71.621   31.331   59.556   39.225   92.884   52.073   66.211   21.074   80.732   24.039 -14.52023 31.96795 
1 1 1  -11   30   22 o   91.930   19.857  117.351   44.253   65.973   64.699  162.518   60.662   72.281   26.863  106.791   23.394 -34.50974 35.62191 
1 1 1  -11   30   23 o  164.668   15.641  357.770   63.543  393.880   92.813  325.912   87.178  168.145   22.683  152.029   23.739 16.11543 32.83385 
1 1 1  -11   30   24 o   56.716   21.378   35.798   41.261   49.067   62.473   25.531   54.953   66.709   26.004   57.979   23.769 8.729282 35.23064 
1 1 1  -11   30   25 o  172.800   11.877  385.402   50.942  384.913   65.343  386.161   81.340  170.772   15.491  168.319   19.726 2.452805 25.08171 
1 1 1  -11   30   26 o   89.414   15.769  107.720   33.923  137.718   42.310   53.728   56.762  100.611   17.474   66.596   25.080 34.01497 30.56720 
1 1 1  -11   30   27 o   55.730   18.104   41.025   28.839   39.366   35.529   44.229   49.377   56.358   20.057   61.693   23.355 -5.335144 30.78517 
1 1 1  -11   30   28 o   47.914   17.588   26.076   27.583   12.196   33.526   55.154   48.526   44.944   18.512   65.234   23.417 -20.29002 29.84995 
1 1 1  -11   30   29 o   64.141   17.825   56.948   29.577   57.986   36.154   54.847   51.428   64.758   20.182   65.525   24.021 -0.7668304 31.37382 
1 1 1  -11   30   30 o   64.627   17.922   57.999   29.934   56.499   36.751   60.956   51.598   64.010   20.401   67.565   24.158 -3.555046 31.61961 
1 1 1  -11   30   31 o   97.615   14.726  127.660   34.781  154.676   43.285   78.431   58.431  106.604   16.817   74.279   25.779 32.32515 30.77919 
1 1 1  -11   30   32 f   82.671   16.298   93.704   32.451   87.337   40.283  105.474   54.769   78.151   20.417   84.234   24.539 -6.083038 31.92236 
1 1 1  -11   30   33 o  100.788   14.825  136.402   36.198  133.180   45.244  142.133   60.337   97.340   19.295   97.434   24.750 -0.9475708E-01 31.38248 
1 1 1  -11   30   34 o   51.513   17.787   33.953   27.801   29.508   33.237   44.308   50.728   51.040   19.197   61.243   23.555 -10.20251 30.38718 
1 1 1  -11   30   35 o   84.352   16.291   97.953   33.074  101.149   40.771   91.803   56.561   84.116   19.748   78.331   25.345 5.785263 32.13032 
1 1 1  -11   30   36 o   84.147   16.434   97.894   33.294   90.054   40.279  114.806   59.160   78.899   20.320   86.463   25.594 -7.563866 32.67978 
1 1 1  -11   30   37 o   28.105   13.044 -16.7212   21.929 -12.4815   24.408 -34.4709   49.941   31.175   14.206   41.578   19.426 -10.40336 24.06650 
1 1 1  -11   30   38 o   72.268   17.331   73.932   30.873   76.274   36.924   68.492   56.281   72.435   19.832   69.142   25.162 3.293312 32.03835 
1 1 1  -11   30   39 o   37.031   15.372   7.4208   23.373   12.664   26.231 -12.7853   51.492   40.728   16.527   45.902   20.807 -5.174679 26.57184 
1 1 1  -11   31    1 o   55.822   23.524   37.732   55.983   29.417   65.179   61.122  109.315   55.659   24.423   66.119   30.105 -10.46058 38.76554 
1 1 1  -11   31    2 o   44.080   20.321 -13.7187   51.923   1.9682   59.365 -64.7769  107.102   49.428   22.379   53.226   25.821 -3.797539 34.16904 
1 1 1  -11   31    3 o   54.775   23.202   30.471   54.915   15.068   61.743   88.788  120.138   53.040   23.500   72.705   32.462 -19.66530 40.07566 
1 1 1  -11   31    4 o   41.780   16.418   18.018   25.066   35.241   46.706   11.051   29.707   54.639   22.094   41.112   17.220 13.52688 28.01244 
1 1 1  -11   31    5 o   30.275   13.721  -8.9957   22.382 -22.6036   44.646  -4.4278   25.867   40.138   18.623   34.054   15.143 6.084358 24.00282 
1 1 1  -11   31    6 o   40.823   16.268   15.289   24.928   10.226   44.584   17.591   30.067   47.575   20.543   44.023   17.753 3.551899 27.15154 
1 1 1  -11   31    7 o   31.631   14.293  -9.1267   24.079   10.246   42.080 -18.5577   29.361   46.838   20.089   32.793   15.175 14.04511 25.17610 
1 1 1  -11   31    8 o   61.034   19.283   53.470   32.889   67.847   62.547   47.976   38.665   68.652   26.214   58.983   20.931 9.668659 33.54551 
1 1 1  -11   31    9 o   44.600   17.964   17.129   30.746   5.7856   60.982   20.995   35.602   53.217   23.478   47.989   19.330 5.227737 30.41171 
1 1 1  -11   31   10 o   44.429   17.396   19.313   28.054   26.333   41.846   13.582   37.808   52.192   20.980   46.585   19.463 5.606712 28.61766 
1 1 1  -11   31   11 o   63.278   18.156   56.666   30.186  106.171   43.606   11.112   41.829   85.323   20.681   47.711   20.232 37.61201 28.93171 
1 1 1  -11   31   12 o   57.358   18.601   45.041   30.452   49.800   42.864   40.192   43.270   61.234   22.005   57.724   21.860 3.510227 31.01778 
1 1 1  -11   31   13 o  144.390   12.293  272.993   43.902  323.441   58.991  210.364   65.728  155.261   15.419  120.130   22.743 35.13097 27.47706 
1 1 1  -11   31   14 o  114.934   13.568  175.113   38.191  231.186   50.054   96.984   59.084  131.106   15.594   80.349   25.895 50.75723 30.22781 
1 1 1  -11   31   15 f   97.883   24.254  142.585   58.983  122.045   65.256  234.278  137.872   89.183   26.991  111.816   39.541 -22.63249 47.87479 
1 1 1  -11   31   16 f  107.335   17.712  158.368   45.819  163.385   67.671  154.121   62.263  103.890   26.114  101.712   24.749 2.178719 35.97829 
1 1 1  -11   31   17 o  126.272   12.925  209.226   40.180  196.165   51.646  229.253   63.952  119.707   17.821  127.687   20.771 -7.980385 27.36760 
1 1 1  -11   31   18 o   79.174   17.234   86.715   33.108  128.367   42.212   20.138   53.368   96.290   18.223   55.330   23.120 40.95980 29.43838 
1 1 1  -11   31   19 o   80.496   16.846   89.177   32.776   99.186   41.565   72.719   53.296   83.603   20.147   71.970   24.638 11.63320 31.82643 
1 1 1  -11   31   20 o  156.433   11.863  317.524   45.998  317.685   58.862  317.272   73.719  154.480   15.466  151.357   19.994 3.123672 25.27748 
1 1 1  -11   31   21 o  137.383   12.366  246.071   41.969  259.042   53.616  225.549   67.441  139.246   15.693  125.828   22.278 13.41707 27.25063 
1 1 1  -11   31   22 o   44.251   17.340   17.831   27.889   23.487   35.104   8.1522   45.922   49.577   19.446   49.318   21.064 0.2583351 28.66823 
1 1 1  -11   31   23 o   90.445   18.652  114.020   40.729  102.006   57.892  125.794   57.311   82.923   25.488   92.156   24.487 -9.232956 35.34444 
1 1 1  -11   31   24 o   92.680   15.709  116.297   35.057  100.852   42.751  148.004   61.255   84.093   20.536   99.873   24.699 -15.78078 32.12086 
1 1 1  -11   31   25 o   51.709   18.652   32.381   30.828   35.095   38.505   27.533   51.454   55.079   20.673   56.639   23.084 -1.559940 30.98826 
1 1 1  -11   31   26 o   55.211   20.895   34.798   39.515   82.845   62.136   2.1723   51.202   75.875   26.569   49.935   21.785 25.94037 34.35872 
1 1 1  -11   31   27 o   65.165   21.920   58.573   42.178  153.620   68.082  -0.6301   53.732  100.167   26.723   50.288   22.118 49.87963 34.68917 
1 1 1  -11   31   28 o   47.447   20.086   9.8331   41.116 -16.3719   66.532   26.025   52.298   52.173   23.650   56.282   23.144 -4.109612 33.09040 
1 1 1  -11   31   29 o   52.227   18.085   34.943   28.751   36.090   35.184   32.638   49.882   54.359   19.878   57.364   22.960 -3.005604 30.36934 
1 1 1  -11   31   30 o  142.722   12.433  266.802   43.868  244.822   55.285  304.167   72.081  134.099   16.884  147.234   20.132 -13.13577 26.27475 
1 1 1  -11   31   31 o   60.970   18.000   51.838   29.295   48.762   35.366   58.564   52.289   59.854   20.072   66.127   24.225 -6.272430 31.46007 
1 1 1  -11   31   32 o  101.399   14.737  138.521   36.223  128.234   44.702  158.193   61.816   95.018   19.493  102.506   24.485 -7.487900 31.29707 
1 1 1  -11   31   33 o  113.949   13.892  173.251   38.713  193.061   48.374  137.962   64.563  118.710   16.786   94.162   26.395 24.54771 31.28066 
1 1 1  -11   31   34 o   53.627   18.084   38.277   28.707   18.093   34.163   86.766   52.951   46.718   18.894   76.035   24.515 -29.31742 30.95118 
1 1 1  -11   31   35 o   43.832   17.041   19.047   26.772   12.500   31.282   36.969   51.759   43.339   17.870   58.526   23.402 -15.18701 29.44412 
1 1 1  -11   31   36 o   71.743   17.553   73.152   31.189   46.458   37.163  136.754   57.364   58.545   20.545   94.361   24.221 -35.81685 31.76100 
1 1 1  -11   31   37 o   44.947   17.044   22.351   26.325   39.314   30.328 -29.4784   53.013   54.066   18.583   43.512   20.224 10.55401 27.46508 
1 1 1  -11   31   38 o  121.472   14.244  199.632   42.386  212.687   52.789  175.943   71.110  122.981   17.699  103.894   27.119 19.08701 32.38338 
1 1 1  -11   32    1 o   65.748   25.867   81.658   62.287  114.349   73.277  -3.4724  118.248   73.302   28.278   57.048   27.543 16.25392 39.47477 
1 1 1  -11   32    2 o   45.357   21.004  -9.3810   56.404   12.223   64.325 -81.2523  117.325   51.182   23.222   51.966   25.586 -0.7842712 34.55316 
1 1 1  -11   32    3 o   51.330   22.764   17.784   58.063   9.1122   64.585   54.332  132.587   51.266   23.264   65.924   31.069 -14.65812 38.81310 
1 1 1  -11   32    4 o   35.480   17.302 -65.3615   49.850 -47.5159   56.066 -132.7212  108.927   40.288   19.326   48.135   23.873 -7.846706 30.71512 
1 1 1  -11   32    5 o   62.180   24.580   58.774   56.493   76.055   65.030   5.6082  114.063   67.432   26.462   61.138   28.814 6.293766 39.12153 
1 1 1  -11   32    6 o   70.483   17.525   73.738   30.715  122.087   51.636   47.264   38.209   86.255   23.385   57.043   20.737 29.21208 31.25489 
1 1 1  -11   32    7 o   43.786   16.790   21.992   25.725  -0.9426   45.450   32.803   31.205   44.639   19.946   50.155   18.653 -5.516586 27.30879 
1 1 1  -11   32    8 o   46.482   17.267   26.782   26.724   36.411   46.801   22.124   32.553   55.263   22.197   46.417   18.559 8.846184 28.93369 
1 1 1  -11   32    9 o   51.817   18.043   36.630   28.636   86.898   47.401   7.7418   35.934   74.178   23.107   43.189   18.545 30.98926 29.62819 
1 1 1  -11   32   10 o   56.181   19.788   43.798   34.495   72.837   66.840   33.256   40.272   69.474   26.949   53.179   20.837 16.29472 34.06553 
1 1 1  -11   32   11 o   43.444   17.917   13.935   31.457   99.984   62.292 -15.5221   36.446   78.351   26.637   37.730   17.257 40.62050 31.73905 
1 1 1  -11   32   12 o   34.976   15.401  -2.8542   26.115 -17.9198   39.666   8.6722   34.695   39.050   17.913   43.310   18.399 -4.260136 25.67897 
1 1 1  -11   32   13 o   71.200   17.768   72.738   31.491   69.569   43.954   76.080   45.140   68.427   22.356   71.118   22.604 -2.690742 31.79166 
1 1 1  -11   32   14 o   62.054   18.312   54.960   30.324   89.457   41.480   15.360   44.442   77.666   20.919   49.620   20.937 28.04583 29.59707 
1 1 1  -11   32   15 o   50.267   18.069   31.778   28.902   19.582   38.856   46.884   43.242   48.870   20.005   59.689   22.005 -10.81924 29.73930 
1 1 1  -11   32   16 o   38.280   16.351   3.6032   27.677   2.4950   36.581   5.0867   42.325   42.757   18.535   46.164   19.975 -3.406895 27.24997 
1 1 1  -11   32   17 o   59.565   20.968   47.903   38.729   51.132   40.479   12.965  133.165   61.153   21.443   71.740   32.877 -10.58723 39.25172 
1 1 1  -11   32   18 o   91.783   24.247  128.288   56.406  103.319   61.224  268.466  145.064   81.634   26.365  114.413   40.549 -32.77842 48.36621 
1 1 1  -11   32   19 o   75.085   17.621   79.554   32.472   57.617   40.654  118.209   53.966   64.036   21.521   88.384   23.884 -24.34802 32.14931 
1 1 1  -11   32   20 o   96.093   15.047  125.298   34.922  136.229   44.376  107.515   56.599   98.245   18.772   83.835   25.084 14.41007 31.33058 
1 1 1  -11   32   21 o  102.924   14.400  142.465   35.997  143.938   45.391  139.968   59.093  101.151   18.657   95.990   24.554 5.161980 30.83799 
1 1 1  -11   32   22 o   41.851   17.948   4.0366   33.587 -29.7464   47.657   37.375   47.343   41.366   19.209   57.780   22.606 -16.41366 29.66532 
1 1 1  -11   32   23 o   47.555   19.257   18.670   35.532   18.670   35.532   0.0000   0.0000   47.555   19.257  ?   ?  0.000000 19.25650 
1 1 1  -11   32   24 o   71.813   17.619   72.737   31.359   67.105   39.277   82.640   52.081   68.276   20.995   74.608   24.333 -6.332314 32.13876 
1 1 1  -11   32   25 o   40.730   16.880   9.4543   28.115   28.112   34.788 -25.6856   47.742   50.743   19.509   42.133   19.446 8.609734 27.54477 
1 1 1  -11   32   26 o   91.103   15.808  113.758   34.659  101.832   43.496  134.503   57.365   83.557   20.899   94.195   24.245 -10.63781 32.00903 
1 1 1  -11   32   27 o  101.217   14.754  138.449   36.196  145.964   45.210  125.031   60.410  101.926   18.441   89.874   25.652 12.05248 31.59242 
1 1 1  -11   32   28 o   71.775   18.006   73.107   32.219   62.631   39.668   93.418   55.232   66.142   21.207   78.437   25.011 -12.29489 32.79176 
1 1 1  -11   32   29 o  117.292   19.027  193.814   53.821  203.893   83.011  186.504   70.693  111.884   29.347  109.625   26.183 2.259041 39.32951 
1 1 1  -11   32   30 o  104.718   20.793  158.710   52.457  181.344   84.001  144.240   67.163  104.193   30.401   95.385   26.986 8.807762 40.65092 
1 1 1  -11   32   31 o   63.887   22.650   56.605   45.269   46.435   76.904   61.997   55.998   66.548   27.776   67.111   24.982 -0.5627136 37.35788 
1 1 1  -11   32   32 o  141.085   18.326  278.130   63.041  312.533  101.538  256.551   80.418  137.849   30.321  128.988   25.866 8.861755 39.85503 
1 1 1  -11   32   33 o   65.301   18.578   61.147   31.739   63.204   38.022   56.418   57.643   66.019   20.716   65.263   25.107 0.7568512 32.55047 
1 1 1  -11   32   34 o   53.209   18.316   37.841   29.470   38.204   34.907   36.942   54.984   54.453   19.816   58.864   23.913 -4.410332 31.05645 
1 1 1  -11   32   35 o   53.720   18.427   38.997   29.814   53.882   35.147   0.8039   56.299   61.360   19.988   50.381   22.376 10.97894 30.00341 
1 1 1  -11   32   36 o   73.694   18.114   78.562   33.098   87.937   39.213   55.335   61.722   76.957   20.163   64.783   25.666 12.17413 32.63863 
1 1 1  -11   32   37 o   52.368   18.124   37.102   28.874   19.897   33.726   84.328   55.876   46.490   18.783   73.177   25.219 -26.68677 31.44563 
1 1 1  -11   33    3 o   79.017   27.921  134.018   68.730   67.971   78.788  344.285  140.579   61.506   26.924   98.396   38.813 -36.88951 47.23706 
1 1 1  -11   33    4 o   66.342   26.048   83.444   63.044  109.578   71.980  -2.6390  130.639   72.441   28.004   58.564   28.435 13.87732 39.90916 
1 1 1  -11   33    5 o   62.870   25.243   67.451   60.502   63.409   68.950   80.978  126.142   62.148   26.144   67.120   31.197 -4.972401 40.70267 
1 1 1  -11   33    6 o   44.713   20.688 -11.9139   54.537   12.037   61.154 -104.9709  120.543   50.940   22.920   51.664   25.531 -0.7239799 34.30993 
1 1 1  -11   33    7 o   51.131   22.420   18.774   54.834   36.317   61.238 -52.1967  123.173   56.423   24.217   56.458   27.458 -0.3483582E-01 36.61166 
1 1 1  -11   33    8 o   91.217   15.771  119.452   34.624  139.536   56.409  107.311   43.858   90.690   24.381   82.019   21.244 8.671211 32.33791 
1 1 1  -11   33    9 o   69.044   17.790   71.304   30.862   77.308   51.352   67.908   38.614   68.494   24.141   65.826   20.905 2.667870 31.93439 
1 1 1  -11   33   10 o   54.541   18.085   43.020   28.724   86.718   47.946   18.555   35.875   72.910   23.309   46.046   19.074 26.86378 30.11853 
1 1 1  -11   33   11 o   65.949   18.361   64.876   31.354   51.571   48.021   74.763   41.395   60.109   22.965   69.139   21.603 -9.030270 31.52915 
1 1 1  -11   33   12 o   72.969   17.870   78.341   32.302  124.062   50.123   45.863   42.244   88.657   22.579   57.605   21.648 31.05148 31.27965 
1 1 1  -11   33   13 o   56.829   20.063   45.619   35.481   91.772   65.379   26.353   42.242   74.354   27.111   51.159   20.891 23.19493 34.22588 
1 1 1  -11   33   14 o   52.425   18.355   37.386   29.655   57.076   42.302   18.357   41.585   62.357   21.917   48.664   20.378 13.69294 29.92739 
1 1 1  -11   33   15 o   81.472   16.878   94.709   33.210   97.309   45.101   91.630   49.082   79.467   21.985   76.320   23.470 3.146584 32.15902 
1 1 1  -11   33   16 o   42.534   17.234   15.180   28.481   10.676   38.618   20.551   42.172   45.495   19.371   49.785   20.656 -4.290417 28.31835 
1 1 1  -11   33   17 o   76.403   17.818   84.183   33.370   87.144   43.934   80.145   51.303   75.590   21.966   72.007   24.175 3.582687 32.66455 
1 1 1  -11   33   18 o   47.775   18.165   26.251   29.952   26.263   38.637   26.232   47.414   50.622   20.227   53.367   22.002 -2.744843 29.88621 
1 1 1  -11   33   19 o   83.244   17.213   98.350   34.600  102.774   43.456   90.688   57.187   82.923   20.972   75.965   25.524 6.957115 33.03489 
1 1 1  -11   33   20 o  109.276   23.708  182.849   62.836  177.761   68.136  211.788  162.500  105.643   26.003   97.500   40.509 8.142776 48.13652 
1 1 1  -11   33   21 o   40.384   17.749  -1.4513   34.544 -26.9826   51.222   19.847   46.783   43.053   19.965   51.570   21.606 -8.517296 29.41833 
1 1 1  -11   33   22 o   45.969   19.111   14.473   36.198   14.473   36.198   0.0000   0.0000   45.969   19.111  ?   ?  0.000000 19.11069 
1 1 1  -11   33   23 o   75.360   17.620   81.057   32.565   83.285   40.970   77.235   53.666   74.826   21.045   71.547   24.712 3.278137 32.45874 
1 1 1  -11   33   24 o   77.416   17.597   85.380   33.247   77.615   41.468   99.354   55.627   72.208   21.441   79.725   25.064 -7.517647 32.98325 
1 1 1  -11   33   25 o   99.206   15.018  134.506   36.041  128.265   45.024  145.637   60.132   93.982   19.809   96.636   24.795 -2.653992 31.73635 
1 1 1  -11   33   26 o   50.373   18.313   31.719   29.801   37.320   36.631   20.755   51.249   54.472   20.219   53.434   22.512 1.037907 30.25884 
1 1 1  -11   33   27 o  100.331   15.151  137.725   36.777  151.830   45.719  111.860   61.909  103.437   18.373   83.645   26.459 19.79202 32.21284 
1 1 1  -11   33   28 o   70.243   18.189   70.989   32.159   73.481   39.192   65.855   56.263   70.529   20.819   67.793   25.079 2.736099 32.59454 
1 1 1  -11   33   29 o   47.234   17.963   25.139   29.294   1.9637   35.305   76.354   52.483   41.759   18.156   71.167   24.446 -29.40772 30.45109 
1 1 1  -11   33   30 o   41.245   17.002   11.464   28.307  -5.1518   33.551   52.506   52.731   38.834   17.259   62.870   24.055 -24.03563 29.60581 
1 1 1  -11   33   31 o   40.536   16.853   9.8493   28.156   54.881   33.644 -95.4142   51.438   61.750   19.503   34.016   16.785 27.73381 25.73122 
1 1 1  -11   33   32 o   47.978   18.255   26.468   30.265   2.4981   36.071   83.466   55.624   42.147   18.338   73.299   25.168 -31.15208 31.14051 
1 1 1  -11   33   33 o   59.709   23.159   45.797   49.358   68.162   85.872   34.763   60.317   70.789   29.432   58.943   24.601 11.84542 38.35943 
1 1 1  -11   33   34 o   55.001   23.553   22.058   57.687   0.0000   0.0000   22.058   57.687  ?   ?    55.001   23.553 0.000000 23.55320 
1 1 1  -11   33   35 o   67.072   24.204   68.121   51.919  180.521   95.636   21.153   61.822   96.744   33.005   55.703   24.122 41.04060 40.88019 
1 1 1  -11   33   36 o   47.989   21.211   4.1303   50.006 -29.8128   96.902   16.450   58.380   56.477   26.599   53.450   23.292 3.027313 35.35593 
1 1 1  -11   34    5 o   49.161   22.298   17.250   59.250   59.677   66.387 -148.8710  131.362   58.442   25.152   48.053   24.180 10.38898 34.88979 
1 1 1  -11   34    6 o   88.490   27.951  163.692   69.107  139.017   79.576  239.400  139.388   77.116   29.539   81.666   35.778 -4.550865 46.39652 
1 1 1  -11   34    7 o   37.172   18.122 -61.2400   54.574 -38.1762   60.376 -164.2202  127.579   41.997   20.122   48.153   24.176 -6.156204 31.45374 
1 1 1  -11   34    8 o   47.927   21.996   0.3922   59.898   9.1130   67.249 -33.0813  131.753   51.179   23.421   57.197   27.944 -6.018093 36.46123 
1 1 1  -11   34    9 o   40.988   19.638 -43.1563   57.509 -48.8298   62.660 -12.8466  144.829   42.095   20.254   60.891   29.650 -18.79578 35.90754 
1 1 1  -11   34   10 o   28.935   13.537 -17.9526   24.381   73.152   49.170 -47.6563   28.076   65.909   23.581   25.948   12.724 39.96082 26.79443 
1 1 1  -11   34   11 o   64.713   18.397   64.066   31.136   95.961   52.915   47.175   38.507   74.373   24.540   56.419   20.770 17.95331 32.15011 
1 1 1  -11   34   12 o   47.071   17.766   28.223   28.518   57.873   47.469   11.478   35.672   61.269   22.962   43.422   18.556 17.84653 29.52295 
1 1 1  -11   34   13 o   41.819   17.078   15.456   28.233   26.312   45.706   8.7580   35.901   51.250   21.404   42.861   18.472 8.388691 28.27266 
1 1 1  -11   34   14 o   50.724   18.464   34.817   30.309   51.642   46.705   22.577   39.836   59.631   22.680   48.629   20.118 11.00185 30.31736 
1 1 1  -11   34   15 f   57.160   20.356   47.231   36.599   76.904   68.459   35.355   43.308   68.970   27.124   53.818   21.443 15.15211 34.57597 
1 1 1  -11   34   16 o   46.904   18.065   25.817   29.868   39.681   42.874   12.742   41.634   55.357   21.553   46.659   19.996 8.697483 29.39990 
1 1 1  -11   34   17 o   36.390   16.128  -3.0856   29.102 -32.9833   39.078   34.141   43.605   35.391   16.736   53.810   21.492 -18.41939 27.23997 
1 1 1  -11   34   18 o   82.255   17.302   97.860   34.413   99.250   45.788   96.055   52.169   79.551   22.203   76.932   24.284 2.619423 32.90440 
1 1 1  -11   34   19 f   48.403   19.643   22.839   37.059   51.425   61.801   6.7878   46.308   62.636   25.384   47.212   20.654 15.42419 32.72575 
1 1 1  -11   34   20 o   86.598   24.991  122.389   57.045   0.0000   0.0000  122.389   57.045  ?   ?    86.598   24.991 0.000000 24.99137 
1 1 1  -11   34   21 o  142.096   16.152  281.069   56.296  288.218   58.922  206.156  190.729  143.343   16.778   90.978   40.741 52.36501 44.06052 
1 1 1  -11   34   22 o   40.737   18.109  -3.5187   36.957 -12.0572   37.821  177.115  173.956   39.129   17.774   88.745   39.377 -49.61557 43.20230 
1 1 1  -11   34   23 o   92.190   25.086  137.363   59.292  128.102   62.773  213.989  180.562   87.816   26.449   93.198   40.778 -5.381485 48.60448 
1 1 1  -11   34   24 o   58.601   20.488   48.522   36.941   55.390   51.785   41.406   52.713   62.923   23.894   58.748   23.572 4.174259 33.56401 
1 1 1  -11   34   25 o   55.897   18.889   43.792   31.321   42.759   38.933   45.685   52.730   56.520   20.872   60.052   23.745 -3.531624 31.61380 
1 1 1  -11   34   26 o   79.814   17.703   91.908   34.359   86.343   42.647  102.201   58.001   75.188   21.583   79.322   25.666 -4.133820 33.53435 
1 1 1  -11   34   27 o   65.728   18.912   63.477   32.712   81.569   40.102   27.495   56.554   73.437   20.879   55.938   23.612 17.49903 31.51898 
1 1 1  -11   34   28 o   64.234   19.028   60.606   32.690   59.635   39.991   62.562   56.751   63.544   21.344   65.722   25.000 -2.178650 32.87228 
1 1 1  -11   34   29 o   54.294   18.812   40.652   31.110   59.077   37.429  -0.5266   55.954   63.225   20.628   49.390   22.096 13.83488 30.22833 
1 1 1  -11   34   30 o   36.765   16.134  -1.1259   28.447  -2.7297   33.952   2.6528   52.113   39.371   17.436   48.599   21.559 -9.228214 27.72713 
1 1 1  -11   34   31 o   85.645   17.188  105.265   35.481   90.048   43.044  137.520   62.671   76.412   21.599   90.818   26.191 -14.40575 33.94787 
1 1 1  -11   34   32 o   83.811   17.114  101.035   34.606  109.024   41.549   82.939   62.531   85.268   19.880   71.716   26.457 13.55205 33.09369 
1 1 1  -11   34   33 o  111.294   15.003  171.782   40.634  183.245   49.723  148.735   70.504  112.380   18.352   91.954   28.105 20.42547 33.56589 
1 1 1  -11   34   34 o   52.575   18.651   38.051   30.699   22.844   35.757   80.693   59.877   47.721   19.320   70.433   25.905 -22.71143 32.31548 
1 1 1  -11   35    7 o   44.747   21.088  -7.9128   61.074 -17.4114   68.082   31.229  138.204   45.130   21.553   57.369   28.151 -12.23893 35.45477 
1 1 1  -11   35    8 o   45.788   21.447  -5.2042   61.515 -32.2535   68.245  111.999  142.058   43.950   21.145   64.845   31.015 -20.89500 37.53695 
1 1 1  -11   35    9 o   39.103   19.089 -60.9172   61.124 -46.1564   66.411 -142.6931  156.315   42.331   20.487   51.980   26.184 -9.649422 33.24603 
1 1 1  -11   35   10 o   51.164   23.170   18.503   63.677   33.221   68.776 -69.8589  168.518   54.653   24.470   57.205   28.583 -2.552074 37.62656 
1 1 1  -11   35   11 o   64.466   26.117   76.567   65.394  103.664   72.326 -44.8060  153.073   70.926   27.884   58.024   28.692 12.90283 40.00934 
1 1 1  -11   35   12 o   73.026   18.190   82.862   33.047   94.506   55.065   76.307   41.315   71.643   25.016   67.341   21.648 4.301872 33.08239 
1 1 1  -11   35   13 f   43.297   17.456   20.072   29.063   26.722   50.100   16.699   35.680   51.247   21.948   44.410   18.751 6.836575 28.86685 
1 1 1  -11   35   14 o   41.147   17.068   14.252   28.783   27.890   47.490   6.3322   36.188   51.239   21.633   41.752   18.262 9.486984 28.31106 
1 1 1  -11   35   15 o   49.327   18.345   33.065   30.182   66.166   46.951   9.7506   39.403   63.693   23.012   44.107   19.179 19.58628 29.95648 
1 1 1  -11   35   16 o   40.840   17.477   8.8886   31.720   29.565   57.276  -0.2584   38.096   54.367   23.380   41.132   18.329 13.23525 29.70823 
1 1 1  -11   35   17 o   44.905   18.823   16.461   35.534 -32.0280   67.058   35.393   41.900   46.484   21.964   52.893   21.086 -6.408787 30.44763 
1 1 1  -11   35   18 o   37.326   16.862  -7.3949   33.488   11.516   63.532 -14.6706   39.407   52.558   23.527   38.673   17.783 13.88546 29.49102 
1 1 1  -11   35   19 o   75.959   24.751   97.909   53.892   0.0000   0.0000   97.909   53.892  ?   ?    75.959   24.751 0.000000 24.75141 
1 1 1  -11   35   20 o   38.318   17.600 -14.8063   38.458 -10.4143   39.437 -99.9632  173.652   39.746   18.091   62.187   30.715 -22.44086 35.64685 
1 1 1  -11   35   21 o   86.968   17.166  110.049   35.956   96.711   46.757  129.349   56.245   77.378   22.712   87.970   24.628 -10.59221 33.50159 
1 1 1  -11   35   22 f   76.676   18.229   87.459   34.392   77.423   44.266  102.743   54.627   69.768   22.406   78.226   24.866 -8.457733 33.47179 
1 1 1  -11   35   23 o   39.855   17.073   6.4734   30.327   16.347   38.918  -8.7914   48.391   46.593   19.623   44.177   20.081 2.416145 28.07714 
1 1 1  -11   35   24 o   40.931   17.431   8.2998   31.283   1.0159   38.718   21.994   53.090   42.293   18.681   52.651   22.572 -10.35748 29.29962 
1 1 1  -11   35   25 o   80.780   20.897  101.048   42.473  101.338   43.505   95.147  196.166   80.600   21.296   77.471   36.884 3.129021 42.59050 
1 1 1  -11   35   26 o   64.436   24.082   63.370   52.141   66.631   53.769   11.982  213.457   65.594   24.467   72.938   35.621 -7.344444 43.21444 
1 1 1  -11   35   27 o   72.262   21.015   81.221   40.198   89.291   54.562   71.640   59.449   73.431   24.930   67.359   25.596 6.071747 35.73042 
1 1 1  -11   35   28 o   95.906   16.579  131.670   38.269  136.731   47.270  122.044   65.192   94.596   20.595   83.226   27.228 11.37051 34.13959 
1 1 1  -11   35   29 o   61.216   19.270   56.170   32.868   27.459   39.614  119.603   58.883   50.293   20.344   83.681   25.703 -33.38763 32.77959 
1 1 1  -11   35   30 o   71.299   18.836   76.705   34.038   73.367   40.805   84.343   61.718   68.383   21.461   70.946   26.263 -2.562698 33.91637 
1 1 1  -11   35   31 o   59.618   19.396   53.255   33.098   42.652   39.290   79.172   61.426   55.458   20.870   69.156   26.080 -13.69830 33.40258 
1 1 1  -11   35   32 f   38.568   16.651   4.6298   29.282   11.718   34.206 -14.8145   56.651   43.096   18.286   45.896   21.182 -2.799847 27.98362 
1 1 1  -11   36    9 o   57.556   25.355   68.802   70.866  117.161   77.524 -177.0157  174.784   66.709   27.870   49.271   25.116 17.43729 37.51684 
1 1 1  -11   36   10 o   41.595   20.133 -36.8021   64.188 -48.3411   69.077   36.169  173.710   41.655   20.325   58.031   28.999 -16.37632 35.41295 
1 1 1  -11   36   11 o   41.286   19.900 -35.6138   61.122 -45.0520   66.025   20.948  161.632   41.606   20.204   58.133   28.874 -16.52725 35.24119 
1 1 1  -11   36   12 o   66.368   27.018   95.819   70.381  101.915   77.334   66.417  169.828   66.949   27.891   61.960   30.560 4.988800 41.37444 
1 1 1  -11   36   13 o   54.241   23.871   38.811   62.671   27.278   67.368  112.973  170.835   52.724   23.858   65.957   32.135 -13.23295 40.02371 
1 1 1  -11   36   14 o   33.329   15.051  -4.8727   26.647 -28.0755   51.212   3.7415   31.204   39.937   18.965   38.088   16.799 1.848576 25.33590 
1 1 1  -11   36   15 o   39.627   16.916   10.551   29.584   19.093   50.762   6.1569   36.406   48.699   21.456   41.107   18.137 7.592655 28.09491 
1 1 1  -11   36   16 o   72.286   18.915   83.076   34.539   76.855   51.505   88.159   46.560   65.569   24.039   70.721   23.004 -5.152092 33.27279 
1 1 1  -11   36   17 o   35.063   15.768  -4.2561   28.897 -13.3701   45.197   2.0453   37.581   40.633   18.812   40.840   18.201 -0.2068672 26.17574 
1 1 1  -11   36   18 o   26.554   13.189 -69.4154   33.713   0.0000   0.0000 -69.4154   33.713  ?   ?    26.554   13.189 0.000000 13.18884 
1 1 1  -11   36   19 o   66.309   23.794   75.709   50.098   75.709   50.098   0.0000   0.0000   66.309   23.794  ?   ?  0.000000 23.79390 
1 1 1  -11   36   20 o   72.925   21.724   88.046   42.520  112.930   74.418   75.985   51.810   75.285   28.630   66.506   24.151 8.779480 37.45649 
1 1 1  -11   36   21 o   47.305   18.566   27.512   32.016   11.410   44.223   45.246   46.410   46.120   20.180   56.243   22.264 -10.12304 30.04912 
1 1 1  -11   36   22 o   39.215   17.038   5.1088   31.047   11.462   41.894  -2.6308   46.241   45.418   19.763   43.724   19.778 1.694427 27.95921 
1 1 1  -11   36   23 o   72.261   19.396   81.506   35.732   71.454   46.286   96.333   56.213   65.766   22.937   73.672   25.301 -7.905853 34.15008 
1 1 1  -11   36   24 o   44.878   18.350   20.050   32.647 -21.1447   41.517   86.798   52.848   38.141   17.784   70.879   24.521 -32.73792 30.29095 
1 1 1  -11   36   25 o   43.311   18.000   16.068   32.099   23.101   40.616   4.3678   52.388   48.417   20.195   47.456   21.295 0.9601402 29.34819 
1 1 1  -11   36   26 o   55.622   19.600   46.030   33.847   21.751   41.684   93.017   57.989   48.341   20.331   72.455   25.642 -24.11407 32.72376 
1 1 1  -11   36   27 o   53.773   19.643   41.711   34.345   24.693   42.118   75.490   59.338   49.321   20.568   66.708   25.519 -17.38691 32.77578 
1 1 1  -11   36   28 o   31.475   15.367 -57.6776   39.643 -60.7852   40.260   41.386  227.309   31.405   15.365   70.653   34.942 -39.24850 38.17145 
1 1 1  -11   36   29 o   47.207   20.559   13.577   45.420   4.1842   46.186  289.822  250.476   45.250   20.171   82.998   40.076 -37.74791 44.86582 
1 1 1  -11   37   13 o   42.794   20.634 -25.3809   65.838   5.1701   70.386 -239.1377  186.180   47.425   22.437   48.485   24.813 -1.060295 33.45333 
1 1 1  -11   37   14 o   63.153   26.598   92.270   71.505   90.977   77.344   99.875  187.596   62.302   26.980   60.662   30.287 1.640087 40.56143 
1 1 1  -11   37   15 o   72.535   27.961  126.777   71.603  140.470   77.547   47.582  186.495   74.345   28.975   59.485   29.774 14.86028 41.54523 
1 1 1  -11   37   16 o   46.899   21.600   7.9576   58.459 -14.3305   61.253  235.636  195.773   44.161   20.904   69.790   34.090 -25.62926 39.98906 
1 1 1  -11   37   17 o   46.354   19.865   22.932   41.089   0.0000   0.0000   22.932   41.089  ?   ?    46.354   19.865 0.000000 19.86477 
1 1 1  -11   37   18 o   55.970   22.629   51.564   48.985   55.654   50.708  -5.5636  189.520   57.236   23.065   59.832   29.957 -2.596012 37.80721 
1 1 1  -11   37   19 o   27.024   13.158 -39.9953   28.512 -46.8562   44.667 -35.2774   37.040   34.523   16.731   32.598   15.656 1.925243 22.91320 
1 1 1  -11   37   20 o   53.559   19.194   45.000   32.590   34.163   48.094   54.201   44.316   51.477   21.754   57.233   22.015 -5.756054 30.95017 
1 1 1  -11   37   21 o   36.209   16.317  -3.2550   31.136 -12.8044   44.551   5.8624   43.532   40.023   18.581   43.484   19.469 -3.461086 26.91275 
1 1 1  -11   37   22 o   46.411   19.805   20.641   40.528 -57.2488   75.395   52.294   48.063   44.214   21.498   57.104   22.641 -12.89013 31.22137 
1 1 1  -11   37   23 o   54.974   21.388   46.530   42.195  138.011   75.350   4.7370   50.929   79.386   29.080   45.774   20.726 33.61146 35.71028 
1 1 1  -11   37   24 o   35.896   16.352  -7.4385   32.304 -11.5814   42.683  -1.8833   49.426   39.725   18.353   44.079   20.137 -4.354492 27.24513 
1 1 1  -11   37   25 o   67.180   20.374   74.596   37.155  113.492   47.951   16.152   58.778   80.721   22.790   50.189   22.536 30.53218 32.05044 
1 1 1  -10  -38    1 o   33.845   14.773   7.3302   23.571   29.884  208.808   7.0391   23.722   51.645   26.419   33.812   14.788 17.83335 30.27583 
1 1 1  -10  -38    2 f   39.819   16.325   22.867   25.926  132.788  224.182   21.377   26.101   51.691   26.509   39.268   16.268 12.42289 31.10260 
1 1 1  -10  -38    3 o   61.143   20.066   78.646   35.397 -13.9221  234.070   80.813   35.809   46.952   24.214   61.890   20.176 -14.93848 31.51817 
1 1 1  -10  -37    1 o   67.200   18.780   77.443   32.736   71.083   90.738   78.395   35.100   57.515   26.637   66.544   19.718 -9.028564 33.14128 
1 1 1  -10  -37    2 o   47.602   17.911   37.036   28.935  -5.6436  216.262   37.814   29.197   54.007   27.566   47.948   18.001 6.058659 32.92274 
1 1 1  -10  -37    3 o   78.965   21.037  119.114   42.230 -70.4198  234.362  125.475   42.933   51.013   26.215   81.302   20.999 -30.28965 33.58856 
1 1 1  -10  -37    4 o   78.796   21.081  122.648   42.292 -23.6376  247.939  127.032   42.921   49.950   25.720   80.246   21.128 -30.29638 33.28587 
1 1 1  -10  -37    5 o   48.617   25.061   38.433  245.830   38.433  245.830   0.0000   0.0000   48.617   25.061  ?   ?  0.000000 25.06143 
1 1 1  -10  -36    1 o   95.727   17.007  140.780   39.166  174.837   88.612  132.511   43.662   82.001   31.228   89.512   20.033 -7.510857 37.10137 
1 1 1  -10  -36    2 o   76.076   18.605   94.920   35.051   85.920   89.719   96.541   38.077   62.120   27.872   75.257   19.941 -13.13715 34.27073 
1 1 1  -10  -36    3 o  124.787   19.623  260.106   59.130  278.111  234.357  258.882   61.107   66.007   33.087  122.911   20.641 -56.90436 38.99738 
1 1 1  -10  -36    4 o   43.186   16.914   26.827   26.524  168.109  230.698   24.934   26.701   59.723   30.283   42.414   16.857 17.30931 34.65810 
1 1 1  -10  -36    5 o   44.099   17.299   29.955   27.780   20.460  234.992   30.090   27.976   53.602   27.465   44.175   17.350 9.426334 32.48607 
1 1 1  -10  -36    6 o   23.817   11.374 -17.6845   18.949   58.508  250.654 -18.1224   19.003   52.028   26.742   23.755   11.357 28.27283 29.05353 
1 1 1  -10  -35    1 o   57.756   26.412   30.387   85.306   30.387   85.306   0.0000   0.0000   57.756   26.412  ?   ?  0.000000 26.41156 
1 1 1  -10  -35    2 o  125.839   17.759  241.036   54.254   71.354   96.731  318.914   65.532   63.475   28.668  143.485   18.737 -80.00927 34.24828 
1 1 1  -10  -35    3 o   59.880   18.839   58.328   31.420 -69.0311   85.205   78.373   33.802   45.055   22.108   69.342   18.971 -24.28607 29.13197 
1 1 1  -10  -35    4 o   62.759   18.511   64.796   30.993   13.384   84.828   72.716   33.294   52.432   24.753   66.018   19.104 -13.58590 31.26802 
1 1 1  -10  -35    5 o   39.816   16.214   18.031   25.357   12.486  233.156   18.098   25.508   58.587   29.782   39.892   16.256 18.69490 33.92912 
1 1 1  -10  -35    6 o   49.515   18.044   40.150   28.958   46.571  242.326   40.057   29.167   57.269   29.226   49.464   18.097 7.805073 34.37537 
1 1 1  -10  -35    7 o   44.485   17.216   30.573   27.227  114.430  245.885   29.532   27.396   56.270   28.775   44.049   17.207 12.22091 33.52716 
1 1 1  -10  -34    1 o   48.466   16.627   32.480   24.274   36.097   75.699   32.065   25.628   59.926   26.307   48.460   17.057 11.46601 31.35318 
1 1 1  -10  -34    2 f   39.715   15.671   16.390   22.924 -27.3740   73.896   21.050   24.113   48.805   23.060   42.336   16.250 6.469868 28.21033 
1 1 1  -10  -34    3 o   72.052   18.890   81.254   34.404  -2.4015   86.487   96.980   37.499   54.037   25.349   78.619   19.254 -24.58136 31.83162 
1 1 1  -10  -34    4 o   35.692   14.823   9.5136   21.748   30.434   77.683   7.7345   22.653   56.182   25.502   35.451   14.953 20.73109 29.56229 
1 1 1  -10  -34    5 o   52.887   17.849   43.328   27.968   40.989   79.950   43.654   29.854   57.085   25.896   52.986   18.424 4.098949 31.78160 
1 1 1  -10  -34    6 o   45.427   17.194   29.014   26.758 -36.0462  233.374   29.880   26.935   59.876   30.370   45.850   17.275 14.02562 34.93970 
1 1 1  -10  -34    7 o   51.747   18.240   43.236   29.314 -115.8552  247.984   45.491   29.521   56.409   28.850   52.824   18.324 3.585060 34.17736 
1 1 1  -10  -34    8 o   74.721   20.195   99.011   38.579  230.676  265.112   96.163   38.994   62.100   31.586   73.135   20.517 -11.03521 37.66475 
1 1 1  -10  -34    9 o   87.524   20.899  140.226   45.047   56.141  278.863  142.479   45.647   55.514   28.533   88.034   21.049 -32.52016 35.45663 
1 1 1  -10  -33    1 f   36.504   14.718   10.353   20.661 -12.0181   70.870   12.431   21.599   52.512   24.036   37.985   15.140 14.52771 28.40670 
1 1 1  -10  -33    2 o   85.315   18.242  106.455   37.686 -37.3282   78.511  149.503   42.959   50.609   23.868  102.088   17.480 -51.47932 29.58428 
1 1 1  -10  -33    3 o   38.585   15.211   14.563   21.579   8.4597   73.431   15.140   22.576   55.039   24.907   39.325   15.541 15.71409 29.35771 
1 1 1  -10  -33    4 o   63.579   27.614   54.806   81.500   54.806   81.500   0.0000   0.0000   63.579   27.614  ?   ?  0.000000 27.61421 
1 1 1  -10  -33    5 o  113.477   16.418  187.632   45.173  133.390   85.834  208.411   53.126   78.917   30.560  117.229   18.782 -38.31139 35.86992 
1 1 1  -10  -33    6 o   72.092   18.351   81.226   33.122   57.380   84.278   85.582   36.021   61.650   27.379   73.175   19.398 -11.52494 33.55436 
1 1 1  -10  -33    7 o  120.909   18.869  228.506   55.111  295.577  250.868  225.105   56.491   74.721   36.908  118.953   19.707 -44.23226 41.83995 
1 1 1  -10  -33    8 f   26.744   12.362 -10.7147   19.408  200.446  244.283 -12.0560   19.469   68.156   34.108   26.409   12.269 41.74663 36.24745 
1 1 1  -10  -33    9 o   53.333   18.492   46.451   30.065  147.252  267.793   45.164   30.256   63.284   32.144   52.698   18.535 10.58606 37.10499 
1 1 1  -10  -33   10 o   34.324   14.826   6.5896   23.234   19.738  282.845   6.5003   23.313   57.763   29.634   34.331   14.840 23.43239 33.14166 
1 1 1  -10  -32    2 o   63.676   27.256   34.175   77.192   34.175   77.192   0.0000   0.0000   63.676   27.256  ?   ?  0.000000 27.25618 
1 1 1  -10  -32    3 o   66.715   27.964   52.180   78.425   52.180   78.425   0.0000   0.0000   66.715   27.964  ?   ?  0.000000 27.96385 
1 1 1  -10  -32    4 o   49.395   23.174 -33.8609   72.322 -33.8609   72.322   0.0000   0.0000   49.395   23.174  ?   ?  0.000000 23.17384 
1 1 1  -10  -32    5 o   57.068   25.645   14.896   76.276   14.896   76.276   0.0000   0.0000   57.068   25.645  ?   ?  0.000000 25.64500 
1 1 1  -10  -32    6 o   44.443   16.495   24.835   24.378 -13.3805   80.850   28.657   25.568   52.949   24.732   46.640   16.962 6.308990 29.98921 
1 1 1  -10  -32    7 o   44.336   16.572   25.099   24.691   57.407   78.144   21.516   26.025   62.751   27.147   43.080   16.787 19.67109 31.91780 
1 1 1  -10  -32    8 o   71.299   18.861   80.160   34.100 -30.4490   82.871  102.705   37.414   49.565   23.702   81.051   18.843 -31.48626 30.27883 
1 1 1  -10  -32    9 o  113.275   19.545  203.200   53.288   58.956  263.331  209.359   54.414   66.234   33.441  114.835   19.684 -48.60113 38.80371 
1 1 1  -10  -32   10 o   81.318   20.050  109.980   40.457   84.981  268.126  110.563   40.926   64.559   32.725   81.339   20.232 -16.78010 38.47428 
1 1 1  -10  -32   11 o   49.878   18.163   39.021   29.330   35.500  283.103   39.059   29.489   60.814   31.080   49.898   18.205 10.91575 36.01978 
1 1 1  -10  -31    1 o  153.097   15.533  311.265   58.561  224.120  102.477  353.524   71.361  117.432   33.373  161.665   17.981 -44.23331 37.90846 
1 1 1  -10  -31    2 o  107.068   17.958  157.848   46.313 -61.4434   90.913  234.700   53.820   54.557   25.716  131.715   16.741 -77.15769 30.68517 
1 1 1  -10  -31    3 o   41.333   15.964   16.605   23.374 -39.7200   84.148   21.315   24.332   54.517   25.386   44.031   16.452 10.48547 30.25061 
1 1 1  -10  -31    4 o  101.061   17.131  141.972   41.689   24.463   84.908  179.298   47.855   63.905   27.962  113.622   17.422 -49.71730 32.94543 
1 1 1  -10  -31    5 o   80.358   17.778   92.308   34.730   34.130   81.118  105.367   38.431   63.883   27.648   85.563   18.523 -21.68011 33.27919 
1 1 1  -10  -31    6 o   55.020   25.015  -2.7270   75.141  -2.7270   75.141   0.0000   0.0000   55.020   25.015  ?   ?  0.000000 25.01537 
1 1 1  -10  -31    7 f   60.483   18.267   53.937   29.912  -9.9877   80.684   64.124   32.207   54.467   25.187   65.523   18.740 -11.05654 31.39410 
1 1 1  -10  -31    8 o   29.403   13.041  -3.3826   19.058  101.535   82.481  -9.2999   19.588   74.077   29.568   27.854   12.706 46.22331 32.18238 
1 1 1  -10  -31    9 o   31.639   13.956  -1.6471   21.543   9.9318   84.258  -2.4570   22.284   55.918   25.817   31.866   14.118 24.05274 29.42505 
1 1 1  -10  -31   12 o   73.292   20.063   90.220   37.792   0.0000   0.0000   90.220   37.792  ?   ?    73.292   20.063 0.000000 20.06294 
1 1 1  -10  -31   13 o   37.539   15.777   12.124   25.074 -136.0404  298.824   13.175   25.163   57.770   29.682   37.972   15.872 19.79823 33.65935 
1 1 1  -10  -30    1 o  192.121   16.683  486.834   79.243  259.275  124.901  640.144  102.519  126.616   37.107  218.849   18.946 -92.23357 41.66410 
1 1 1  -10  -30    2 o   66.088   18.235   59.955   31.075 -25.9679   76.500   76.935   34.007   55.440   25.220   74.676   18.364 -19.23582 31.19726 
1 1 1  -10  -30    3 o   70.933   18.627   69.947   33.418 -92.0585   75.148  109.882   37.310   45.899   22.109   89.682   17.287 -43.78294 28.06479 
1 1 1  -10  -30    4 o   32.987   14.251  -0.6782   21.474   0.0000   0.0000  -0.6782   21.474  ?   ?    32.987   14.251 0.000000 14.25075 
1 1 1  -10  -30    5 o  126.507   15.873  216.028   49.040  137.467   92.223  246.999   57.905   91.748   32.351  134.204   17.711 -42.45544 36.88153 
1 1 1  -10  -30    6 o   97.364   16.857  131.321   39.502   94.410   85.705  141.278   44.512   79.108   30.564  100.120   18.484 -21.01250 35.71840 
1 1 1  -10  -30    7 o   30.972   13.663  -3.6108   20.649   53.654   77.213  -8.0219   21.430   67.330   27.945   30.106   13.555 37.22443 31.05856 
1 1 1  -10  -30    8 o   32.983   14.593  -3.7903   23.727 -13.4729   75.272  -2.7220   25.002   53.458   24.579   34.179   15.058 19.27982 28.82530 
1 1 1  -10  -30    9 o   37.836   15.380   11.325   22.766  -5.3687   76.459   12.949   23.848   54.088   24.833   39.090   15.794 14.99789 29.43053 
1 1 1  -10  -30   10 o   41.294   16.222   18.009   24.461 -39.2359   82.731   23.493   25.606   50.365   23.972   44.215   16.799 6.149540 29.27218 
1 1 1  -10  -30   11 o   31.622   13.948  -1.6207   21.510   0.0000   0.0000  -1.6207   21.510  ?   ?    31.622   13.948 0.000000 13.94774 
1 1 1  -10  -30   12 o   65.301   19.434   68.137   34.040   0.0000   0.0000   68.137   34.040  ?   ?    65.301   19.434 0.000000 19.43365 
1 1 1  -10  -30   14 o   81.314   21.032  113.217   43.028   0.0000   0.0000  113.217   43.028  ?   ?    81.314   21.032 0.000000 21.03208 
1 1 1  -10  -29    1 o  103.505   29.674  156.062   80.663  156.062   80.663   0.0000   0.0000  103.505   29.674  ?   ?  0.000000 29.67377 
1 1 1  -10  -29    2 o  116.449   15.744  178.734   44.610  123.425   85.587  199.364   52.272   92.816   31.225  122.320   17.621 -29.50388 35.85395 
1 1 1  -10  -29    3 o   62.190   17.733   52.304   28.884   53.208   71.835   52.129   31.546   70.812   27.805   62.252   18.750 8.560951 33.53591 
1 1 1  -10  -29    4 f   57.229   17.682   43.616   27.821   41.200   71.402   44.049   30.209   67.231   27.272   57.786   18.505 9.444698 32.95699 
1 1 1  -10  -29    5 o   59.779   18.748   48.124   31.145   0.0000   0.0000   48.124   31.145  ?   ?    59.779   18.748 0.000000 18.74809 
1 1 1  -10  -29    6 o   37.649   15.354   8.6922   22.782 -32.5021   71.576   13.336   24.032   51.877   23.895   40.401   16.012 11.47640 28.76440 
1 1 1  -10  -29    7 o   67.916   17.953   64.757   30.911   63.996   79.079   64.894   33.583   72.234   28.910   67.765   19.051 4.469231 34.62301 
1 1 1  -10  -29    8 f   90.921   16.671  114.550   36.456  147.657   83.361  106.721   40.538   93.995   30.791   86.327   19.290 7.668571 36.33483 
1 1 1  -10  -29    9 f   59.166   26.463   8.0889   80.215   8.0889   80.215   0.0000   0.0000   59.166   26.463  ?   ?  0.000000 26.46336 
1 1 1  -10  -29   10 o   63.326   18.447   58.534   30.952   23.420   84.988   63.903   33.234   61.708   27.445   65.850   19.096 -4.141598 33.43493 
1 1 1  -10  -29   11 o   52.113   18.340   37.463   29.624   0.0000   0.0000   37.463   29.624  ?   ?    52.113   18.340 0.000000 18.33957 
1 1 1  -10  -29   12 f   81.639   31.937  139.056   94.481  139.056   94.481   0.0000   0.0000   81.639   31.937  ?   ?  0.000000 31.93650 
1 1 1  -10  -29   13 o   63.411   19.683   63.248   34.430   0.0000   0.0000   63.248   34.430  ?   ?    63.411   19.683 0.000000 19.68345 
1 1 1  -10  -29   14 o   55.606   18.974   47.757   31.608   0.0000   0.0000   47.757   31.608  ?   ?    55.606   18.974 0.000000 18.97443 
1 1 1  -10  -29   15 o   50.184   18.345   37.391   29.963   0.0000   0.0000   37.391   29.963  ?   ?    50.184   18.345 0.000000 18.34473 
1 1 1  -10  -28    1 o  213.100   16.470  589.910   86.964  363.568  132.072  763.165  115.550  156.664   34.676  240.806   19.380 -84.14240 39.72375 
1 1 1  -10  -28    2 f   70.137   27.552   48.134   70.565   48.134   70.565   0.0000   0.0000   70.137   27.552  ?   ?  0.000000 27.55210 
1 1 1  -10  -28    3 o   94.420   16.310  118.467   37.065  101.971   74.103  123.971   42.805   86.197   29.054   95.871   18.550 -9.673599 34.47122 
1 1 1  -10  -28    4 o  102.730   16.707  140.475   41.387   39.402   79.334  178.267   48.511   69.857   28.590  115.749   17.315 -45.89256 33.42419 
1 1 1  -10  -28    5 o  194.249   17.070  497.329   81.961  214.411  127.474  696.708  107.012  115.870   38.082  228.826   18.896 -112.9562 42.51269 
1 1 1  -10  -28    6 o   81.587   18.094   91.175   35.899  -1.1113   79.172  115.060   40.277   60.794   26.790   91.846   18.204 -31.05170 32.38952 
1 1 1  -10  -28    7 o  138.974   16.753  258.126   56.968   56.712   98.537  359.245   69.818   76.171   31.587  163.860   17.325 -87.68935 36.02665 
1 1 1  -10  -28    8 o   82.411   17.748   93.994   35.445   32.731   81.603  108.239   39.350   66.760   28.281   88.273   18.446 -21.51276 33.76514 
1 1 1  -10  -28    9 f   44.575   16.735   21.521   25.235 -22.9936   75.501   27.119   26.775   54.244   24.821   47.845   17.364 6.398136 30.29146 
1 1 1  -10  -28   10 o   64.855   28.274   27.168   86.107   27.168   86.107   0.0000   0.0000   64.855   28.274  ?   ?  0.000000 28.27418 
1 1 1  -10  -28   11 o   34.028   14.842  -1.1588   23.751 -18.7159   81.416   0.4742   24.831   55.228   25.456   35.303   15.288 19.92521 29.69362 
1 1 1  -10  -28   12 o   94.971   17.949  129.912   41.009   72.409   93.382  143.651   45.645   71.508   30.271   99.115   19.135 -27.60683 35.81188 
1 1 1  -10  -28   13 f   80.870   18.265   96.856   36.014   98.023   91.174   96.640   39.202   74.600   30.604   79.723   19.785 -5.122459 36.44196 
1 1 1  -10  -28   14 o   81.613   19.821  103.084   39.993   0.0000   0.0000  103.084   39.993  ?   ?    81.613   19.821 0.000000 19.82055 
1 1 1  -10  -28   15 o   41.033   16.549   16.775   26.129   0.0000   0.0000   16.775   26.129  ?   ?    41.033   16.549 0.000000 16.54895 
1 1 1  -10  -28   16 o   87.305   20.334  122.963   43.506   0.0000   0.0000  122.963   43.506  ?   ?    87.305   20.334 0.000000 20.33384 
1 1 1  -10  -27    1 o  171.353   15.365  379.318   65.047  241.803  103.689  468.555   83.527  129.303   32.227  189.522   17.859 -60.21918 36.84496 
1 1 1  -10  -27    2 o  171.863   15.711  382.581   66.680  205.898  105.408  500.452   86.095  118.450   33.910  195.794   17.803 -77.34392 38.29977 
1 1 1  -10  -27    3 o  171.076   16.654  381.332   70.247   31.503  106.646  649.440   93.362   76.498   32.365  223.540   16.849 -147.0422 36.48766 
1 1 1  -10  -27    4 o   39.604   15.978   9.8378   24.366   15.418   64.123   8.8961   26.341   59.972   25.219   40.423   16.501 19.54972 30.13778 
1 1 1  -10  -27    5 o  130.969   16.212  225.041   51.889   58.152   88.942  311.151   63.888   76.937   30.706  153.990   16.891 -77.05314 35.04539 
1 1 1  -10  -27    6 o  139.963   15.472  256.176   53.173  164.371   92.286  301.800   65.058  105.282   32.150  151.105   17.569 -45.82345 36.63765 
1 1 1  -10  -27    7 o   88.351   17.608  105.599   37.484   1.4336   77.716  137.179   42.791   61.208   26.768  101.006   17.605 -39.79792 32.03812 
1 1 1  -10  -27    8 o   73.582   19.409   74.851   36.177   0.0000   0.0000   74.851   36.177  ?   ?    73.582   19.409 0.000000 19.40878 
1 1 1  -10  -27    9 o   63.245   18.657   54.779   31.482 -30.7152   80.264   70.323   34.225   55.829   25.563   71.160   18.930 -15.33103 31.80871 
1 1 1  -10  -27   10 o   46.148   17.377   22.720   27.247 -76.2058   79.464   35.900   29.005   49.068   23.393   53.010   18.176 -3.942490 29.62409 
1 1 1  -10  -27   11 o   67.694   28.382   43.047   80.823   43.047   80.823   0.0000   0.0000   67.694   28.382  ?   ?  0.000000 28.38187 
1 1 1  -10  -27   12 o   39.691   16.261   10.438   25.698 -46.1881   79.634   17.020   27.150   51.606   24.245   43.116   17.041 8.489841 29.63489 
1 1 1  -10  -27   13 o  119.697   16.929  199.969   49.191  120.634   99.543  225.602   56.583   83.314   32.725  125.980   18.540 -42.66565 37.61247 
1 1 1  -10  -27   14 o  133.059   18.307  254.479   59.218   6.2463  109.519  357.038   70.396   63.324   29.305  157.968   18.177 -94.64482 34.48438 
1 1 1  -10  -27   15 o   39.360   16.190   11.851   25.603   0.0000   0.0000   11.851   25.603  ?   ?    39.360   16.190 0.000000 16.19035 
1 1 1  -10  -27   16 o   56.880   19.039   48.609   31.819   0.0000   0.0000   48.609   31.819  ?   ?    56.880   19.039 0.000000 19.03942 
1 1 1  -10  -27   17 o   46.134   17.701   27.154   28.605   0.0000   0.0000   27.154   28.605  ?   ?    46.134   17.701 0.000000 17.70128 
1 1 1  -10  -26    1 o  107.400   15.794  150.650   41.094   63.728   75.399  187.380   49.013   76.419   28.877  119.670   16.869 -43.25129 33.44295 
1 1 1  -10  -26    2 o  139.224   15.229  250.801   52.081  127.604   85.803  322.668   65.535   96.267   31.224  157.509   16.927 -61.24236 35.51725 
1 1 1  -10  -26    3 o  284.543   18.744  1054.93  132.443  541.868  191.677  1523.69  183.215  188.014   41.897  339.839   21.703 -151.8253 47.18406 
1 1 1  -10  -26    4 o  125.368   16.992  206.182   51.826 -39.5691   86.327  344.662   64.803   58.594   26.707  162.939   16.139 -104.3454 31.20445 
1 1 1  -10  -26    5 o  105.681   28.770  158.986   77.965  158.986   77.965   0.0000   0.0000  105.681   28.770  ?   ?  0.000000 28.77005 
1 1 1  -10  -26    6 o  110.453   16.394  160.676   43.847   48.274   81.775  206.031   51.945   73.271   29.373  125.083   17.076 -51.81207 33.97591 
1 1 1  -10  -26    7 o   56.849   17.924   41.961   28.428   50.791   71.642   40.311   30.971   71.021   27.802   56.520   18.781 14.50055 33.55122 
1 1 1  -10  -26    8 o   51.092   17.622   31.616   27.283   2.1706   72.411   36.488   29.454   59.800   26.001   54.155   18.317 5.644764 31.80511 
1 1 1  -10  -26    9 o  142.124   18.308  269.774   63.467   0.0000   0.0000  269.774   63.467  ?   ?   142.124   18.308 0.000000 18.30812 
1 1 1  -10  -26   10 o   71.107   28.786   48.786   79.381   48.786   79.381   0.0000   0.0000   71.107   28.786  ?   ?  0.000000 28.78616 
1 1 1  -10  -26   11 o   49.614   17.878   28.911   28.311 -26.1807   78.799   37.077   30.337   55.914   25.497   54.117   18.587 1.797485 31.55266 
1 1 1  -10  -26   12 o   49.378   17.692   29.330   27.688 -15.1553   81.331   35.162   29.447   57.850   26.193   52.700   18.300 5.149937 31.95246 
1 1 1  -10  -26   13 o   58.037   26.244  -9.0380   81.352  -9.0380   81.352   0.0000   0.0000   58.037   26.244  ?   ?  0.000000 26.24434 
1 1 1  -10  -26   14 o   83.121   19.376   99.941   39.477 -38.0082   90.007  132.799   43.927   55.622   26.018   96.441   18.916 -40.81880 32.16706 
1 1 1  -10  -26   15 o   96.513   18.255  133.786   42.386   33.970   92.929  160.006   47.628   65.383   28.907  105.364   18.791 -39.98121 34.47750 
1 1 1  -10  -26   16 o   70.679   19.784   75.571   36.298   0.0000   0.0000   75.571   36.298  ?   ?    70.679   19.784 0.000000 19.78388 
1 1 1  -10  -26   17 o   88.474   19.977  119.968   43.092   0.0000   0.0000  119.968   43.092  ?   ?    88.474   19.977 0.000000 19.97688 
1 1 1  -10  -26   18 o   38.969   16.171   11.528   25.849   0.0000   0.0000   11.528   25.849  ?   ?    38.969   16.171 0.000000 16.17080 
1 1 1  -10  -26   19 o   60.683   19.684   58.450   34.101   0.0000   0.0000   58.450   34.101  ?   ?    60.683   19.684 0.000000 19.68450 
1 1 1  -10  -25    1 o   98.941   16.031  128.195   38.254   25.908   67.359  176.891   46.477   64.421   26.352  116.466   16.437 -52.04524 31.05812 
1 1 1  -10  -25    2 o  123.205   17.906  199.192   53.477   0.0000   0.0000  199.192   53.477  ?   ?   123.205   17.906 0.000000 17.90567 
1 1 1  -10  -25    3 f  248.350   17.256  797.079  106.354  396.375  154.677  1156.41  146.474  163.477   38.521  297.812   19.808 -134.3353 43.31585 
1 1 1  -10  -25    4 o  223.329   16.557  644.098   91.680  343.259  135.318  899.362  124.648  153.024   36.011  262.697   19.133 -109.6727 40.77826 
1 1 1  -10  -25    5 o  121.493   16.137  192.618   47.747   11.573   78.635  298.352   60.094   64.810   27.619  151.631   16.118 -86.82114 31.97832 
1 1 1  -10  -25    6 o   60.323   24.812   21.649   60.127   21.649   60.127   0.0000   0.0000   60.323   24.812  ?   ?  0.000000 24.81184 
1 1 1  -10  -25    7 o   90.973   16.706  109.886   36.553   82.029   71.330  119.807   42.568   80.373   28.439   94.471   18.706 -14.09770 34.03957 
1 1 1  -10  -25    8 o   58.817   18.911   44.515   31.525   0.0000   0.0000   44.515   31.525  ?   ?    58.817   18.911 0.000000 18.91076 
1 1 1  -10  -25    9 o   69.472   27.545   45.311   71.139   45.311   71.139   0.0000   0.0000   69.472   27.545  ?   ?  0.000000 27.54478 
1 1 1  -10  -25   10 o  170.084   18.769  384.260   78.390   0.0000   0.0000  384.260   78.390  ?   ?   170.084   18.769 0.000000 18.76897 
1 1 1  -10  -25   11 o   47.515   17.619   24.150   27.800 -50.7744   72.241   37.174   30.119   50.482   23.511   54.505   18.522 -4.023300 29.93111 
1 1 1  -10  -25   12 o   45.447   17.182   21.018   26.703  -0.1838   74.839   24.111   28.585   59.355   26.104   47.651   17.827 11.70373 31.61060 
1 1 1  -10  -25   13 o   83.494   18.590   96.801   37.764   0.3753   84.357  120.969   42.233   61.870   27.438   93.505   18.740 -31.63516 33.22680 
1 1 1  -10  -25   14 o   79.551   30.519   89.108   85.026   89.108   85.026   0.0000   0.0000   79.551   30.519  ?   ?  0.000000 30.51934 
1 1 1  -10  -25   15 o  128.487   17.113  226.812   53.542   71.123   99.576  290.131   63.503   75.724   31.606  144.902   17.933 -69.17799 36.33932 
1 1 1  -10  -25   16 o   55.206   18.116   42.096   28.851  142.763   86.436   29.474   30.606   90.379   31.354   49.540   18.463 40.83966 36.38649 
1 1 1  -10  -25   17 o  108.630   17.310  167.534   45.380  136.854   99.300  175.634   51.020   85.246   32.909  109.711   19.329 -24.46535 38.16526 
1 1 1  -10  -25   18 o   56.176   19.005   45.644   31.709   0.0000   0.0000   45.644   31.709  ?   ?    56.176   19.005 0.000000 19.00534 
1 1 1  -10  -25   19 o   53.042   18.841   40.160   31.337   0.0000   0.0000   40.160   31.337  ?   ?    53.042   18.841 0.000000 18.84104 
1 1 1  -10  -25   20 o   64.227   20.043   65.420   35.647   0.0000   0.0000   65.420   35.647  ?   ?    64.227   20.043 0.000000 20.04322 
1 1 1  -10  -24    1 o  154.020   13.051  302.703   49.725  399.669   81.245  244.622   62.878  175.260   18.860  136.650   18.935 38.61063 26.72563 
1 1 1  -10  -24    2 o  115.678   14.758  172.983   41.660  125.898   70.947  197.763   51.468   95.816   27.934  123.101   17.213 -27.28543 32.81201 
1 1 1  -10  -24    3 o  281.202   22.621  1040.77  157.505   0.0000   0.0000  1040.77  157.505  ?   ?   281.202   22.621 0.000000 22.62111 
1 1 1  -10  -24    4 o   78.868   16.996   82.743   32.486   39.526   60.358  100.368   38.546   65.670   25.571   86.708   18.373 -21.03857 31.48738 
1 1 1  -10  -24    5 o  218.721   16.595  617.151   89.965  234.816  131.588  952.724  123.279  126.283   38.352  271.113   18.316 -144.8307 42.50150 
1 1 1  -10  -24    6 o  200.065   15.827  515.836   78.427  291.340  117.592  695.700  105.256  142.077   33.661  231.331   18.372 -89.25301 38.34782 
1 1 1  -10  -24    7 o   65.145   26.161   33.100   64.993   33.100   64.993   0.0000   0.0000   65.145   26.161  ?   ?  0.000000 26.16103 
1 1 1  -10  -24    8 o  137.658   16.062  246.600   54.177   63.889   88.094  357.737   68.706   79.024   30.859  165.818   16.826 -86.79324 35.14808 
1 1 1  -10  -24    9 o  132.661   15.825  229.294   51.391   97.334   86.506  301.266   63.886   87.062   31.264  151.784   17.156 -64.72245 35.66154 
1 1 1  -10  -24   10 o   77.795   17.995   81.656   34.264   59.252   71.817   88.259   38.988   73.623   28.095   80.574   19.571 -6.950897 34.23987 
1 1 1  -10  -24   11 o  159.464   15.764  331.375   61.951  196.302  102.417  409.313   77.798  114.681   33.600  176.354   17.914 -61.67280 38.07708 
1 1 1  -10  -24   12 o  108.318   17.076  156.256   44.659   61.800   89.872  187.227   51.462   77.468   30.882  118.401   17.970 -40.93285 35.73004 
1 1 1  -10  -24   13 o  202.404   16.311  538.151   81.741  389.093  129.615  636.580  105.327  159.690   33.569  217.946   19.561 -58.25583 38.85227 
1 1 1  -10  -24   14 o  106.743   17.511  154.177   45.059   19.290   88.297  201.671   52.394   66.868   28.892  122.298   17.668 -55.42951 33.86652 
1 1 1  -10  -24   15 o  100.827   32.094  162.765   90.974  162.765   90.974   0.0000   0.0000  100.827   32.094  ?   ?  0.000000 32.09378 
1 1 1  -10  -24   16 o  120.298   16.499  196.742   48.259  166.417   96.176  206.947   55.792   99.387   33.098  121.925   18.939 -22.53730 38.13378 
1 1 1  -10  -24   17 o   71.998   18.562   74.335   33.587  115.472   89.284   67.554   36.250   84.041   31.493   68.296   19.984 15.74468 37.29814 
1 1 1  -10  -24   18 o   73.647   18.798   79.246   34.689  119.053   92.541   72.738   37.417   82.701   31.813   69.981   20.253 12.71998 37.71289 
1 1 1  -10  -24   19 o  152.983   19.679  343.071   73.438   0.0000   0.0000  343.071   73.438  ?   ?   152.983   19.679 0.000000 19.67942 
1 1 1  -10  -24   20 o   77.754   20.471   93.866   40.293   0.0000   0.0000   93.866   40.293  ?   ?    77.754   20.471 0.000000 20.47083 
1 1 1  -10  -24   21 o   82.088   20.479  106.192   41.841   0.0000   0.0000  106.192   41.841  ?   ?    82.088   20.479 0.000000 20.47891 
1 1 1  -10  -23    1 o  265.163   16.267  899.794  107.194  758.040  156.031  1026.50  147.516  238.428   26.663  280.972   21.180 -42.54431 34.05148 
1 1 1  -10  -23    2 o  204.655   14.435  534.581   73.300  501.187  110.207  561.073   98.159  194.866   23.097  208.026   19.109 -13.16037 29.97735 
1 1 1  -10  -23    3 o  234.921   16.108  707.687   93.928  417.085  136.432  969.534  129.507  172.655   32.844  273.763   19.063 -101.1080 37.97504 
1 1 1  -10  -23    4 o  163.535   18.251  347.782   73.263   0.0000   0.0000  347.782   73.263  ?   ?   163.535   18.251 0.000000 18.25150 
1 1 1  -10  -23    5 o  146.506   14.272  275.518   51.550  221.771   82.216  310.336   66.173  127.026   26.763  154.576   17.448 -27.54967 31.94862 
1 1 1  -10  -23    6 o  292.277   18.582  1106.12  134.923  552.677  194.282  1621.69  187.516  192.304   41.661  352.107   21.428 -159.8029 46.84904 
1 1 1  -10  -23    7 o   51.888   17.752   32.183   27.668 -65.3484   60.260   58.237   31.145   43.804   20.735   66.157   18.256 -22.35286 27.62675 
1 1 1  -10  -23    8 o   59.271   24.679   16.053   60.495   16.053   60.495   0.0000   0.0000   59.271   24.679  ?   ?  0.000000 24.67854 
1 1 1  -10  -23    9 o   60.171   18.351   47.245   30.082   48.935   63.472   46.755   34.162   69.089   26.401   60.631   19.704 8.458084 32.94348 
1 1 1  -10  -23   10 o  118.830   15.751  184.187   45.588  112.662   80.911  217.453   55.180   91.130   30.359  128.625   17.644 -37.49451 35.11365 
1 1 1  -10  -23   11 o   44.687   17.242   17.732   27.248   6.9682   67.159   19.853   29.812   59.423   25.429   46.852   18.047 12.57047 31.18241 
1 1 1  -10  -23   12 o  109.434   17.122  158.494   45.256   18.321   84.241  215.362   53.657   67.484   28.669  127.859   17.245 -60.37489 33.45590 
1 1 1  -10  -23   13 o   98.882   19.301  132.381   45.949   0.0000   0.0000  132.381   45.949  ?   ?    98.882   19.301 0.000000 19.30086 
1 1 1  -10  -23   14 o   56.340   18.410   40.845   29.807   88.689   77.971   32.656   32.257   82.029   29.652   53.075   19.088 28.95477 35.26484 
1 1 1  -10  -23   15 o   49.491   18.054   27.666   28.999   51.566   79.589   24.008   31.140   71.862   28.918   48.702   18.520 23.16011 34.34008 
1 1 1  -10  -23   16 o   41.355   16.718   11.819   26.732   87.536   80.428   2.4154   28.343   80.135   29.918   38.826   16.565 41.30862 34.19735 
1 1 1  -10  -23   17 o  127.154   16.662  218.697   51.633  166.167  100.600  237.483   60.161  100.025   33.852  131.194   18.909 -31.16892 38.77526 
1 1 1  -10  -23   18 o   56.498   18.793   43.215   31.009 -49.9009   86.148   57.075   33.237   53.617   25.198   63.536   19.270 -9.919327 31.72220 
1 1 1  -10  -23   19 o   61.025   18.886   53.158   31.724   44.776   91.278   54.310   33.833   67.971   29.372   61.617   19.568 6.353535 35.29348 
1 1 1  -10  -23   20 o   44.023   17.371   19.452   28.166   0.0000   0.0000   19.452   28.166  ?   ?    44.023   17.371 0.000000 17.37068 
1 1 1  -10  -23   21 o   95.746   19.951  138.099   46.154   0.0000   0.0000  138.099   46.154  ?   ?    95.746   19.951 0.000000 19.95058 
1 1 1  -10  -23   22 o   82.757   20.511  106.912   42.175   0.0000   0.0000  106.912   42.175  ?   ?    82.757   20.511 0.000000 20.51148 
1 1 1  -10  -22    1 o  307.856   24.859  1243.41  189.482  1243.41  189.482   0.0000   0.0000  307.856   24.859  ?   ?  0.000000 24.85940 
1 1 1  -10  -22    2 f  177.627   14.789  403.107   65.005  232.322   97.058  542.032   87.538  129.537   30.508  205.378   17.228 -75.84171 35.03617 
1 1 1  -10  -22    3 o  287.310   16.292  1055.49  116.411  1031.68  168.938  1077.02  160.637  280.008   24.404  287.175   22.582 -7.166840 33.24947 
1 1 1  -10  -22    4 o  155.874   13.580  310.201   52.331  323.569   81.687  300.896   68.153  156.758   21.429  152.148   18.305 4.609970 28.18286 
1 1 1  -10  -22    5 o  204.325   14.602  533.353   74.014  509.041  113.600  551.285   97.563  196.039   23.685  206.092   19.177 -10.05280 30.47552 
1 1 1  -10  -22    6 o  255.409   21.406  852.924  135.268   0.0000   0.0000  852.924  135.268  ?   ?   255.409   21.406 0.000000 21.40588 
1 1 1  -10  -22    7 f   64.748   25.020   39.225   57.444   39.225   57.444   0.0000   0.0000   64.748   25.020  ?   ?  0.000000 25.02036 
1 1 1  -10  -22    8 o   88.534   16.478  103.397   35.090   74.860   64.466  115.411   41.829   77.718   27.071   93.082   18.645 -15.36387 32.87088 
1 1 1  -10  -22    9 o  138.844   14.471  248.178   49.438  232.222   81.924  257.316   61.999  130.079   26.128  140.242   18.128 -10.16261 31.80044 
1 1 1  -10  -22   10 o  187.037   23.706  468.124  108.238  468.124  108.238   0.0000   0.0000  187.037   23.706  ?   ?  0.000000 23.70607 
1 1 1  -10  -22   11 o  110.054   15.701  158.130   41.928  147.124   77.990  162.603   49.726  102.319   29.126  110.693   18.652 -8.374428 34.58664 
1 1 1  -10  -22   12 o  134.348   15.362  234.221   50.612  171.063   87.460  266.019   62.059  109.395   30.741  142.391   17.845 -32.99632 35.54490 
1 1 1  -10  -22   13 o   78.233   18.458   82.613   35.478   11.299   75.761  102.645   40.153   63.462   27.079   87.209   18.977 -23.74716 33.06671 
1 1 1  -10  -22   14 o   32.317   14.647 -13.4197   25.501   0.0000   0.0000 -13.4197   25.501  ?   ?    32.317   14.647 0.000000 14.64655 
1 1 1  -10  -22   15 o   56.767   18.905   40.824   31.377   38.784   80.270   41.192   34.089   70.120   28.735   57.575   19.705 12.54453 34.84175 
1 1 1  -10  -22   16 o   93.369   17.690  117.854   39.737  117.232   85.875  118.023   44.825   90.548   31.261   92.582   19.975 -2.034088 37.09809 
1 1 1  -10  -22   17 o  104.819   17.445  148.590   44.057   83.261   90.634  168.803   50.414   80.942   31.386  111.207   18.826 -30.26454 36.59900 
1 1 1  -10  -22   18 o   51.059   24.053 -59.8754   79.321 -59.8754   79.321   0.0000   0.0000   51.059   24.053  ?   ?  0.000000 24.05319 
1 1 1  -10  -22   19 o   62.656   18.956   54.910   32.192   62.047   90.123   53.866   34.466   73.394   30.303   62.228   19.748 11.16613 36.17043 
1 1 1  -10  -22   20 o   64.408   19.465   59.477   33.958 -34.2390   92.328   74.137   36.517   56.866   26.517   71.422   19.791 -14.55538 33.08815 
1 1 1  -10  -22   21 o  108.644   19.691  171.822   51.454   0.0000   0.0000  171.822   51.454  ?   ?   108.644   19.691 0.000000 19.69061 
1 1 1  -10  -22   22 o   45.300   17.718   22.194   29.076   0.0000   0.0000   22.194   29.076  ?   ?    45.300   17.718 0.000000 17.71779 
1 1 1  -10  -22   23 o  147.436   19.967  325.674   71.622   0.0000   0.0000  325.674   71.622  ?   ?   147.436   19.967 0.000000 19.96689 
1 1 1  -10  -22   24 o   59.223   20.090   53.752   35.433   0.0000   0.0000   53.752   35.433  ?   ?    59.223   20.090 0.000000 20.09016 
1 1 1  -10  -21    1 o  355.418   18.547  1615.90  164.038  1548.92  235.160  1679.39  228.935  342.974   27.693  358.441   25.748 -15.46664 37.81373 
1 1 1  -10  -21    2 o   59.979   23.062   32.493   48.619   32.493   48.619   0.0000   0.0000   59.979   23.062  ?   ?  0.000000 23.06231 
1 1 1  -10  -21    3 o  199.335   14.741  506.419   72.856  335.524  106.611  656.159   99.794  157.542   28.131  226.042   17.824 -68.49951 33.30249 
1 1 1  -10  -21    4 o   96.475   15.265  120.969   35.552   85.980   59.422  140.477   44.370   81.347   25.943  103.484   17.812 -22.13752 31.46901 
1 1 1  -10  -21    5 o  229.063   20.252  680.860  114.653   0.0000   0.0000  680.860  114.653  ?   ?   229.063   20.252 0.000000 20.25246 
1 1 1  -10  -21    6 o  186.028   22.059  454.697  100.479  454.697  100.479   0.0000   0.0000  186.028   22.059  ?   ?  0.000000 22.05944 
1 1 1  -10  -21    7 o  133.729   18.093  233.281   58.868   0.0000   0.0000  233.281   58.868  ?   ?   133.729   18.093 0.000000 18.09258 
1 1 1  -10  -21    8 o  160.761   14.364  331.036   57.058  263.806   88.255  379.318   74.791  139.206   26.353  171.083   17.765 -31.87700 31.78196 
1 1 1  -10  -21    9 o  167.052   14.608  357.789   60.325  271.878   93.782  418.425   78.789  140.665   27.684  179.670   17.794 -39.00470 32.90961 
1 1 1  -10  -21   10 o  176.311   14.048  397.763   61.338  431.638   97.854  375.839   78.723  180.608   22.162  169.702   18.897 10.90569 29.12467 
1 1 1  -10  -21   11 f   95.688   28.077  126.256   71.470  126.256   71.470   0.0000   0.0000   95.688   28.077  ?   ?  0.000000 28.07724 
1 1 1  -10  -21   12 o  140.672   15.157  255.661   52.402  196.777   87.969  288.049   65.241  118.021   29.833  148.453   17.964 -30.43171 34.82423 
1 1 1  -10  -21   13 o   67.966   18.420   61.824   32.045   90.282   70.984   54.541   35.913   83.297   28.435   64.631   20.109 18.66665 34.82698 
1 1 1  -10  -21   14 o  119.645   16.078  187.073   46.820  124.943   85.197  213.956   56.042   95.079   31.128  127.364   18.132 -32.28539 36.02364 
1 1 1  -10  -21   15 o   50.834   18.699   27.768   31.203   0.0000   0.0000   27.768   31.203  ?   ?    50.834   18.699 0.000000 18.69948 
1 1 1  -10  -21   16 o  100.394   17.250  134.293   41.687  135.190   86.260  134.020   47.616   97.170   31.285   99.355   19.886 -2.185371 37.07048 
1 1 1  -10  -21   17 o  153.280   15.755  307.688   59.446  256.728  105.112  331.652   72.080  130.654   32.380  157.769   18.657 -27.11407 37.37045 
1 1 1  -10  -21   18 f  103.609   17.806  145.159   44.410   64.363   94.500  168.060   50.311   77.827   31.443  111.204   18.787 -33.37647 36.62759 
1 1 1  -10  -21   19 o  166.508   30.587  422.436  122.495  422.436  122.495   0.0000   0.0000  166.508   30.587  ?   ?  0.000000 30.58712 
1 1 1  -10  -21   20 o   71.233   19.444   71.845   35.556 -13.9871   89.779   87.812   38.722   60.360   27.405   78.585   19.754 -18.22524 33.78231 
1 1 1  -10  -21   21 o  148.564   16.601  301.176   60.534  239.253  115.969  324.367   70.969  113.767   36.238  152.235   19.088 -38.46815 40.95769 
1 1 1  -10  -21   22 o   71.387   19.303   74.535   35.236  116.371   99.346   68.515   37.686   82.712   32.628   68.168   20.485 14.54461 38.52531 
1 1 1  -10  -21   23 o   43.016   17.388   16.291   28.916   0.0000   0.0000   16.291   28.916  ?   ?    43.016   17.388 0.000000 17.38794 
1 1 1  -10  -21   24 o   81.854   20.591  103.125   42.050   0.0000   0.0000  103.125   42.050  ?   ?    81.854   20.591 0.000000 20.59071 
1 1 1  -10  -21   25 o   42.320   17.287   16.141   28.938   0.0000   0.0000   16.141   28.938  ?   ?    42.320   17.287 0.000000 17.28736 
1 1 1  -10  -20    1 o  157.507   13.021  314.666   50.755  376.871   78.097  269.180   66.781  171.201   18.565  144.261   19.000 26.93996 26.56414 
1 1 1  -10  -20    2 o   75.006   16.775   74.133   30.633   48.364   52.668   87.307   37.658   66.878   24.341   81.202   18.922 -14.32372 30.83012 
1 1 1  -10  -20    3 o  111.678   22.908  166.224   61.743  166.224   61.743   0.0000   0.0000  111.678   22.908  ?   ?  0.000000 22.90788 
1 1 1  -10  -20    4 o  304.934   17.195  1187.33  130.402  1037.18  187.490  1328.02  181.488  280.331   27.122  319.887   22.870 -39.55634 35.47749 
1 1 1  -10  -20    5 o  266.852   15.867  907.913  105.260  840.463  152.656  969.048  145.335  253.139   24.454  273.426   21.458 -20.28627 32.53333 
1 1 1  -10  -20    6 o  135.584   13.515  234.841   45.148  285.497   72.171  202.270   57.870  147.795   20.074  124.238   19.278 23.55695 27.83173 
1 1 1  -10  -20    7 o  249.135   14.978  791.178   92.748  828.574  136.884  759.439  126.108  252.071   21.966  241.647   21.110 10.42352 30.46518 
1 1 1  -10  -20    8 o   79.076   19.401   83.554   38.022   0.0000   0.0000   83.554   38.022  ?   ?    79.076   19.401 0.000000 19.40098 
1 1 1  -10  -20    9 o  255.199   16.016  833.882  101.551  710.685  148.532  942.015  139.155  230.715   26.248  269.029   20.877 -38.31467 33.53786 
1 1 1  -10  -20   10 o  191.800   14.280  470.001   67.907  467.931  104.409  471.519   89.398  188.210   22.671  190.451   19.053 -2.241287 29.61402 
1 1 1  -10  -20   11 o   84.359   17.266   94.385   35.148   62.374   65.679  107.231   41.607   74.130   27.151   89.586   19.177 -15.45651 33.24030 
1 1 1  -10  -20   12 o  107.365   27.572  159.895   74.307  159.895   74.307   0.0000   0.0000  107.365   27.572  ?   ?  0.000000 27.57155 
1 1 1  -10  -20   13 o  337.935   18.954  1480.86  159.307  1319.37  231.568  1625.97  219.505  310.176   30.283  349.151   25.348 -38.97498 39.49164 
1 1 1  -10  -20   14 o  200.685   15.213  517.760   75.671  473.365  118.637  548.209   98.253  186.726   26.161  204.710   19.454 -17.98447 32.60138 
1 1 1  -10  -20   15 o  150.957   15.118  294.414   56.224  289.462   97.558  296.876   68.798  144.108   28.119  150.274   18.741 -6.165970 33.79215 
1 1 1  -10  -20   16 o  178.962   19.153  421.487   84.267   0.0000   0.0000  421.487   84.267  ?   ?   178.962   19.153 0.000000 19.15320 
1 1 1  -10  -20   17 o   90.159   18.429  109.475   40.092   53.427   86.431  124.840   45.255   75.578   30.233   96.060   19.531 -20.48149 35.99297 
1 1 1  -10  -20   18 o  134.525   16.519  238.196   54.327  139.185  101.179  278.304   64.397   98.294   33.933  144.789   18.214 -46.49456 38.51210 
1 1 1  -10  -20   19 o   54.577   18.985   36.568   31.699 -46.5422   85.731   49.730   34.117   56.201   25.980   61.324   19.668 -5.122814 32.58543 
1 1 1  -10  -20   20 o  116.237   33.418  215.115  102.172  215.115  102.172   0.0000   0.0000  116.237   33.418  ?   ?  0.000000 33.41771 
1 1 1  -10  -20   21 o   94.189   18.583  123.266   42.156   61.338   97.054  137.666   46.802   75.521   31.336   99.148   19.597 -23.62713 36.95934 
1 1 1  -10  -20   22 o  162.658   17.142  360.930   68.579  208.176  124.405  427.612   82.195  105.749   37.543  175.464   19.066 -69.71524 42.10653 
1 1 1  -10  -20   23 o   67.731   19.765   66.768   35.502   15.469   99.930   74.178   37.980   65.074   29.287   71.058   20.359 -5.984390 35.66835 
1 1 1  -10  -20   24 o  142.777   19.636  295.416   68.157   0.0000   0.0000  295.416   68.157  ?   ?   142.777   19.636 0.000000 19.63591 
1 1 1  -10  -20   25 o   90.865   20.550  125.383   45.537   0.0000   0.0000  125.383   45.537  ?   ?    90.865   20.550 0.000000 20.54995 
1 1 1  -10  -20   26 o   81.070   21.068  103.156   43.041   0.0000   0.0000  103.156   43.041  ?   ?    81.070   21.068 0.000000 21.06774 
1 1 1  -10  -19    1 o  110.304   14.041  155.656   37.798  176.396   60.551  142.415   48.383  115.862   21.726  104.353   19.277 11.50948 29.04526 
1 1 1  -10  -19    2 o  180.285   13.693  411.809   61.184  386.917   90.877  432.447   82.749  172.865   21.518  183.759   18.275 -10.89371 28.23114 
1 1 1  -10  -19    3 o  221.611   14.755  622.875   81.186  503.746  117.622  731.268  112.197  196.405   24.516  239.050   18.950 -42.64514 30.98623 
1 1 1  -10  -19    4 o  190.876   21.693  472.585  101.563  472.585  101.563   0.0000   0.0000  190.876   21.693  ?   ?  0.000000 21.69290 
1 1 1  -10  -19    5 o  384.594   28.493  1948.16  271.699  1948.16  271.699   0.0000   0.0000  384.594   28.493  ?   ?  0.000000 28.49278 
1 1 1  -10  -19    6 f  104.571   14.839  141.148   37.662  108.063   60.984  161.547   47.885   89.903   25.809  111.279   17.834 -21.37610 31.37179 
1 1 1  -10  -19    7 o  144.610   13.594  266.734   48.513  282.193   76.361  256.272   62.820  146.574   21.502  140.512   18.341 6.062561 28.26138 
1 1 1  -10  -19    8 o  236.814   14.963  714.516   88.034  695.811  129.564  730.558  119.985  230.679   22.790  237.448   20.434 -6.769623 30.60943 
1 1 1  -10  -19    9 o  140.298   18.209  255.944   62.290   0.0000   0.0000  255.944   62.290  ?   ?   140.298   18.209 0.000000 18.20881 
1 1 1  -10  -19   10 o  235.874   15.294  710.662   89.599  644.073  132.106  767.387  121.930  220.712   24.375  243.129   20.267 -22.41621 31.70071 
1 1 1  -10  -19   11 o  205.588   14.706  539.980   75.002  499.561  113.393  571.415  100.002  194.145   23.893  209.840   19.300 -15.69496 30.71436 
1 1 1  -10  -19   12 o  120.887   14.979  188.711   44.249  170.042   75.397  198.520   54.651  111.021   27.369  123.064   18.344 -12.04276 32.94833 
1 1 1  -10  -19   13 o  375.358   29.304  1905.52  272.500  1905.52  272.500   0.0000   0.0000  375.358   29.304  ?   ?  0.000000 29.30404 
1 1 1  -10  -19   14 o  236.775   15.619  719.139   91.830  679.501  138.517  750.221  122.658  225.525   25.017  239.491   20.713 -13.96619 32.47919 
1 1 1  -10  -19   15 o   68.308   18.990   62.200   33.564   21.415   69.183   74.754   38.384   63.893   26.479   74.597   20.136 -10.70394 33.26583 
1 1 1  -10  -19   16 o  103.024   16.790  139.672   41.708  163.087   82.606  131.661   48.319  107.500   29.758   98.926   20.241 8.573586 35.99002 
1 1 1  -10  -19   17 o  157.742   15.769  322.368   61.283  235.503  104.636  367.721   75.607  127.436   32.714  167.532   18.374 -40.09657 37.52072 
1 1 1  -10  -19   18 o   52.055   18.793   30.402   31.302   94.320   93.895   22.410   33.201   87.178   32.369   49.421   19.043 37.75745 37.55514 
1 1 1  -10  -19   19 o  148.951   15.760  289.580   57.729  267.290  105.576  299.087   68.950  134.686   31.884  150.065   18.813 -15.37891 37.02083 
1 1 1  -10  -19   20 o  146.843   15.518  282.602   56.041  325.688  106.489  266.099   65.905  149.332   29.602  140.693   19.265 8.639206 35.31875 
1 1 1  -10  -19   21 o   67.988   29.048   25.547   87.385   25.547   87.385   0.0000   0.0000   67.988   29.048  ?   ?  0.000000 29.04836 
1 1 1  -10  -19   22 o   86.325   18.899  103.922   39.612  171.373  100.406   91.489   43.108  102.583   33.802   80.092   21.216 22.49073 39.90850 
1 1 1  -10  -19   23 o  171.528   16.062  395.809   67.998  425.983  127.878  383.914   80.290  161.307   32.862  165.953   19.763 -4.645599 38.34690 
1 1 1  -10  -19   24 o   61.568   19.725   53.663   34.321 -24.3064  102.233   63.566   36.436   60.672   28.161   66.310   20.191 -5.637772 34.65112 
1 1 1  -10  -19   25 o   86.971   20.544  112.631   43.907   0.0000   0.0000  112.631   43.907  ?   ?    86.971   20.544 0.000000 20.54379 
1 1 1  -10  -19   26 o   92.316   20.594  128.653   46.268   0.0000   0.0000  128.653   46.268  ?   ?    92.316   20.594 0.000000 20.59394 
1 1 1  -10  -19   27 o  110.141   20.369  183.588   53.961   0.0000   0.0000  183.588   53.961  ?   ?   110.141   20.369 0.000000 20.36944 
1 1 1  -10  -18    1 o  282.489   22.232  1020.35  155.562   0.0000   0.0000  1020.35  155.562  ?   ?   282.489   22.232 0.000000 22.23185 
1 1 1  -10  -18    2 o  196.184   13.959  486.674   67.939  439.612   99.260  528.152   93.187  184.651   21.957  203.472   18.544 -18.82085 28.73973 
1 1 1  -10  -18    3 o  134.278   18.206  232.351   59.473   0.0000   0.0000  232.351   59.473  ?   ?   134.278   18.206 0.000000 18.20595 
1 1 1  -10  -18    4 o  253.180   22.169  824.903  138.747  824.903  138.747   0.0000   0.0000  253.180   22.169  ?   ?  0.000000 22.16873 
1 1 1  -10  -18    5 o  153.863   21.192  307.763   79.265  307.763   79.265   0.0000   0.0000  153.863   21.192  ?   ?  0.000000 21.19220 
1 1 1  -10  -18    6 f  356.165   17.725  1612.33  157.645  1760.60  226.619  1473.31  219.443  368.352   24.781  335.984   26.367 32.36810 36.18405 
1 1 1  -10  -18    7 o  119.892   14.463  184.321   42.426  108.140   65.744  238.684   55.537   90.323   27.037  136.128   16.687 -45.80499 31.77185 
1 1 1  -10  -18    8 o  124.845   14.046  199.546   43.029  195.029   68.605  202.475   55.247  120.872   23.576  124.734   18.279 -3.861221 29.83173 
1 1 1  -10  -18    9 o  153.959   13.682  302.139   52.055  320.115   80.593  289.272   68.187  156.374   21.184  149.300   18.699 7.074631 28.25644 
1 1 1  -10  -18   10 f   77.881   19.730   80.874   38.415   0.0000   0.0000   80.874   38.415  ?   ?    77.881   19.730 0.000000 19.72981 
1 1 1  -10  -18   11 o  157.803   13.886  317.917   54.162  342.650   86.299  301.845   69.569  161.330   21.994  152.380   18.673 8.949646 28.85190 
1 1 1  -10  -18   12 o  191.798   14.162  469.234   67.350  505.883  104.392  443.102   88.150  196.525   21.630  184.647   19.408 11.87798 29.06034 
1 1 1  -10  -18   13 o  141.654   14.579  257.582   50.834  252.585   84.307  260.436   63.719  136.565   25.664  141.295   18.504 -4.730499 31.63869 
1 1 1  -10  -18   14 o  162.408   14.308  337.696   57.435  408.116   92.444  293.423   73.299  176.126   21.462  149.457   20.153 26.66893 29.44123 
1 1 1  -10  -18   15 o   42.069   17.069   10.002   27.975 -25.1171   63.971   18.307   31.107   52.160   23.458   47.077   18.350 5.083076 29.78292 
1 1 1  -10  -18   16 o   93.730   18.417  116.869   41.569  -8.8054   77.644  167.364   49.216   60.834   26.676  112.734   18.095 -51.89960 32.23378 
1 1 1  -10  -18   17 f  215.058   15.206  593.832   81.137  635.020  129.119  566.956  104.302  218.048   24.117  207.872   20.354 10.17650 31.55819 
1 1 1  -10  -18   18 o  158.836   15.264  325.749   59.800  338.105  104.833  319.789   72.807  156.242   27.892  155.941   19.096 0.3015137 33.80269 
1 1 1  -10  -18   19 f   69.982   20.949   65.436   39.469   0.0000   0.0000   65.436   39.469  ?   ?    69.982   20.949 0.000000 20.94878 
1 1 1  -10  -18   20 f  125.639   15.955  206.750   48.928  280.908   98.811  182.661   56.317  140.155   29.181  116.415   20.099 23.73918 35.43275 
1 1 1  -10  -18   21 o  157.712   15.862  325.659   61.623  330.975  114.728  323.504   73.057  149.450   31.723  155.548   19.217 -6.098190 37.08910 
1 1 1  -10  -18   22 o   67.874   19.579   63.271   35.018  109.777   93.911   55.759   37.740   88.403   32.453   64.470   20.687 23.93231 38.48537 
1 1 1  -10  -18   23 o  121.871   17.465  200.995   51.632  153.796  107.396  215.184   58.883   98.170   34.879  125.042   19.493 -26.87199 39.95642 
1 1 1  -10  -18   24 o   70.548   19.971   70.793   36.773   8.6606   98.876   80.766   39.614   66.033   29.469   75.055   20.539 -9.021271 35.92027 
1 1 1  -10  -18   25 o  131.562   17.058  238.311   54.723  241.450  119.484  237.478   61.558  112.966   36.857  129.443   19.662 -16.47659 41.77377 
1 1 1  -10  -18   26 o   56.031   19.547   42.805   33.618   0.0000   0.0000   42.805   33.618  ?   ?    56.031   19.547 0.000000 19.54739 
1 1 1  -10  -18   27 o   85.322   20.803  110.210   43.924   0.0000   0.0000  110.210   43.924  ?   ?    85.322   20.803 0.000000 20.80317 
1 1 1  -10  -18   28 o  102.473   20.815  159.822   51.447   0.0000   0.0000  159.822   51.447  ?   ?   102.473   20.815 0.000000 20.81484 
1 1 1  -10  -17    1 o  202.665   13.893  518.217   69.885  502.694  102.182  531.859   95.792  198.275   20.955  204.427   18.981 -6.151276 28.27367 
1 1 1  -10  -17    2 f  302.370   23.172  1168.10  173.635   0.0000   0.0000  1168.10  173.635  ?   ?   302.370   23.172 0.000000 23.17212 
1 1 1  -10  -17    3 o  370.998   18.817  1744.64  173.759  1656.99  246.953  1830.58  244.528  358.372   27.813  377.486   26.101 -19.11331 38.14185 
1 1 1  -10  -17    4 o  391.227   19.056  1938.39  186.167  2046.17  265.866  1834.70  260.768  398.364   26.883  376.655   27.923 21.70880 38.76083 
1 1 1  -10  -17    5 o  339.624   17.499  1463.07  147.902  1513.31  212.019  1415.45  206.423  342.696   24.946  331.296   25.139 11.39996 35.41568 
1 1 1  -10  -17    6 o  330.545   16.815  1386.20  138.341  1566.98  198.891  1216.76  192.551  349.169   22.938  306.500   25.386 42.66919 34.21381 
1 1 1  -10  -17    7 o  309.802   16.583  1219.15  127.823  1289.06  183.809  1153.69  177.874  315.934   23.466  298.543   24.063 17.39178 33.61083 
1 1 1  -10  -17    8 o   83.883   16.089   92.056   32.475  100.490   54.587   87.436   40.403   86.927   24.236   81.166   20.051 5.761574 31.45540 
1 1 1  -10  -17    9 o  261.750   15.280  870.867   99.440  905.305  145.180  840.433  136.481  264.345   22.198  254.864   21.649 9.481476 31.00748 
1 1 1  -10  -17   10 o  129.015   13.972  212.927   44.296  231.962   70.861  200.717   56.751  132.493   22.203  123.983   18.930 8.510010 29.17720 
1 1 1  -10  -17   11 o  126.062   18.608  207.334   56.818   0.0000   0.0000  207.334   56.818  ?   ?   126.062   18.608 0.000000 18.60836 
1 1 1  -10  -17   12 o  159.163   14.302  323.621   56.236  281.193   87.700  353.249   73.286  144.862   25.156  165.283   18.049 -20.42108 30.96144 
1 1 1  -10  -17   13 o  335.045   17.826  1440.33  148.612  1463.18  215.422  1419.58  205.282  332.648   26.144  328.249   25.237 4.398773 36.33729 
1 1 1  -10  -17   14 o  128.771   14.592  213.191   46.096  271.667   79.674  183.768   56.515  142.831   23.129  117.960   19.894 24.87083 30.50739 
1 1 1  -10  -17   15 o  335.157   18.322  1446.40  152.763  1380.48  221.758  1505.94  210.743  321.072   27.937  337.536   25.184 -16.46469 37.61231 
1 1 1  -10  -17   16 o  247.499   24.377  811.444  148.707  811.444  148.707   0.0000   0.0000  247.499   24.377  ?   ?  0.000000 24.37705 
1 1 1  -10  -17   17 o   68.545   18.892   62.515   33.376  151.577   74.625   40.245   37.317  104.571   28.014   58.665   20.587 45.90576 34.76498 
1 1 1  -10  -17   18 o  146.524   15.526  277.248   55.943  252.041   97.777  289.516   68.211  134.021   29.967  148.661   18.794 -14.63960 35.37312 
1 1 1  -10  -17   19 o  120.456   16.122  189.114   47.278  243.665   91.822  169.435   55.150  131.954   28.684  112.531   20.376 19.42316 35.18461 
1 1 1  -10  -17   20 f   61.878   20.415   48.518   36.619   0.0000   0.0000   48.518   36.619  ?   ?    61.878   20.415 0.000000 20.41453 
1 1 1  -10  -17   21 o  110.748   17.736  162.837   47.395  101.020   96.179  182.662   54.467   88.980   32.815  116.819   19.348 -27.83862 38.09471 
1 1 1  -10  -17   22 o  123.773   17.790  203.845   53.407   42.303  104.160  261.461   62.206   76.827   32.216  140.258   18.189 -63.43118 36.99592 
1 1 1  -10  -17   23 o   85.070   19.230   99.678   39.892   88.033   97.954  101.994   43.678   83.910   32.603   85.593   20.669 -1.682899 38.60264 
1 1 1  -10  -17   24 o   76.413   31.600   59.265   98.228   59.265   98.228   0.0000   0.0000   76.413   31.600  ?   ?  0.000000 31.60037 
1 1 1  -10  -17   25 o   93.851   19.038  123.395   43.092   80.767  107.682  131.523   47.022   80.397   33.152   96.362   20.187 -15.96476 38.81500 
1 1 1  -10  -17   26 o   72.954   19.915   76.920   37.297   53.765  108.267   80.038   39.728   73.745   31.928   74.136   20.678 -0.3908463 38.03965 
1 1 1  -10  -17   27 o   63.311   20.385   57.880   36.621   0.0000   0.0000   57.880   36.621  ?   ?    63.311   20.385 0.000000 20.38470 
1 1 1  -10  -17   28 o   85.051   21.257  109.821   45.021   0.0000   0.0000  109.821   45.021  ?   ?    85.051   21.257 0.000000 21.25662 
1 1 1  -10  -17   29 o   74.014   21.062   84.621   40.788   0.0000   0.0000   84.621   40.788  ?   ?    74.014   21.062 0.000000 21.06170 
1 1 1  -10  -16    1 o  582.925   26.635  4318.58  387.714  4179.10  549.321  4457.04  547.305  566.553   39.066  586.042   37.597 -19.48907 54.21844 
1 1 1  -10  -16    2 o  308.410   16.620  1199.93  127.527  1176.27  182.426  1222.56  178.344  303.587   24.266  309.817   23.221 -6.230255 33.58622 
1 1 1  -10  -16    3 o  194.562   19.166  482.250   91.909   0.0000   0.0000  482.250   91.909  ?   ?   194.562   19.166 0.000000 19.16568 
1 1 1  -10  -16    4 o  297.845   16.140  1120.22  119.599  1151.11  171.838  1091.20  166.562  300.197   23.100  292.261   23.008 7.935455 32.60330 
1 1 1  -10  -16    5 o  281.112   15.321  997.874  107.142  1110.98  154.972  894.302  148.293  295.208   21.162  264.278   22.690 30.93011 31.02736 
1 1 1  -10  -16    6 o  152.529   13.188  294.634   49.739  341.477   75.948  259.454   65.818  163.153   18.997  141.918   19.053 21.23537 26.90519 
1 1 1  -10  -16    7 o  134.860   13.186  230.972   43.838  308.166   68.362  177.058   57.131  154.995   17.997  116.398   20.399 38.59657 27.20309 
1 1 1  -10  -16    8 o  245.373   22.058  775.560  133.716  775.560  133.716   0.0000   0.0000  245.373   22.058  ?   ?  0.000000 22.05832 
1 1 1  -10  -16    9 o  167.632   13.267  356.387   55.082  425.784   84.338  304.766   72.739  181.992   18.830  153.519   19.407 28.47395 27.04079 
1 1 1  -10  -16   10 o  182.782   14.030  424.453   63.549  399.315   95.581  444.369   85.077  174.932   22.394  185.872   18.578 -10.93935 29.09728 
1 1 1  -10  -16   11 o  297.632   16.446  1128.66  121.757  1155.82  176.605  1104.05  168.090  297.925   23.940  291.458   23.289 6.467285 33.39961 
1 1 1  -10  -16   12 o  147.747   14.321  278.870   52.176  257.448   83.953  292.352   66.600  138.716   25.162  150.326   18.106 -11.60956 30.99940 
1 1 1  -10  -16   13 o   72.492   17.988   69.743   32.408   59.127   61.551   73.815   38.120   72.577   26.329   74.533   20.045 -1.955772 33.09108 
1 1 1  -10  -16   14 o  350.698   18.499  1579.56  161.435  1566.58  233.171  1591.50  223.729  343.646   27.399  347.405   25.977 -3.758759 37.75612 
1 1 1  -10  -16   15 o  184.024   14.262  432.091   65.029  475.691  102.143  402.374   84.326  190.510   21.867  175.899   19.527 14.61131 29.31656 
1 1 1  -10  -16   16 o  159.659   15.208  327.081   59.901  225.661   95.254  393.426   77.041  127.362   30.376  174.368   17.950 -47.00656 35.28295 
1 1 1  -10  -16   17 o   85.323   28.655   93.691   72.079   93.691   72.079   0.0000   0.0000   85.323   28.655  ?   ?  0.000000 28.65542 
1 1 1  -10  -16   18 o  152.342   15.643  299.025   58.666  204.222   97.600  352.653   73.407  120.305   31.949  164.735   18.145 -44.42983 36.74264 
1 1 1  -10  -16   19 o  131.859   15.813  225.179   51.029  215.848   92.626  229.246   61.145  123.937   30.204  132.009   19.104 -8.072723 35.73861 
1 1 1  -10  -16   20 o  129.479   16.425  218.175   51.914  180.763   96.027  233.626   61.710  112.691   32.397  133.141   19.108 -20.44962 37.61233 
1 1 1  -10  -16   21 o   79.499   21.337   85.771   43.245   0.0000   0.0000   85.771   43.245  ?   ?    79.499   21.337 0.000000 21.33726 
1 1 1  -10  -16   22 o  270.887   16.811  951.951  113.157  999.844  177.577  919.208  146.828  270.211   26.664  262.229   22.644 7.982788 34.98220 
1 1 1  -10  -16   23 o   69.708   19.812   65.969   36.115  198.873   96.010   44.065   38.978  115.652   32.106   60.076   21.043 55.57603 38.38753 
1 1 1  -10  -16   24 o   59.449   19.873   45.559   34.665 -53.5534   95.155   60.726   37.222   58.569   27.179   66.884   20.417 -8.314964 33.99315 
1 1 1  -10  -16   25 o   66.453   29.394   5.2725   96.196   5.2725   96.196   0.0000   0.0000   66.453   29.394  ?   ?  0.000000 29.39365 
1 1 1  -10  -16   26 o  137.686   17.423  257.419   58.563  159.740  120.993  287.304   66.925   97.745   36.655  144.492   19.009 -46.74754 41.29060 
1 1 1  -10  -16   27 o   44.724   18.122   15.688   31.489   0.0000   0.0000   15.688   31.489  ?   ?    44.724   18.122 0.000000 18.12166 
1 1 1  -10  -16   29 o   65.494   20.600   63.579   37.573   0.0000   0.0000   63.579   37.573  ?   ?    65.494   20.600 0.000000 20.60038 
1 1 1  -10  -16   30 o  122.647   20.300  223.546   60.000   0.0000   0.0000  223.546   60.000  ?   ?   122.647   20.300 0.000000 20.30047 
1 1 1  -10  -16   31 o   70.729   21.197   78.782   40.392   0.0000   0.0000   78.782   40.392  ?   ?    70.729   21.197 0.000000 21.19677 
1 1 1  -10  -15    1 o  145.882   18.472  271.808   65.783   0.0000   0.0000  271.808   65.783  ?   ?   145.882   18.472 0.000000 18.47163 
1 1 1  -10  -15    2 o  361.424   26.281  1664.95  235.573  1664.95  235.573   0.0000   0.0000  361.424   26.281  ?   ?  0.000000 26.28090 
1 1 1  -10  -15    3 o  574.137   26.184  4185.52  375.411  4170.75  532.038  4200.17  529.791  566.908   37.799  569.086   37.490 -2.177673 53.23755 
1 1 1  -10  -15    4 o  288.502   22.455  1059.48  160.499   0.0000   0.0000  1059.48  160.499  ?   ?   288.502   22.455 0.000000 22.45468 
1 1 1  -10  -15    5 o  421.750   19.932  2247.22  209.924  2426.35  299.307  2073.79  294.507  435.058   27.694  401.329   29.595 33.72897 40.53178 
1 1 1  -10  -15    6 o  196.320   13.528  486.394   65.917  548.360   97.333  433.897   89.588  207.496   18.995  184.210   19.785 23.28555 27.42780 
1 1 1  -10  -15    7 o  398.603   19.400  2011.34  193.108  2091.36  275.674  1934.24  270.589  402.795   27.573  387.026   28.191 15.76898 39.43365 
1 1 1  -10  -15    8 o  313.869   16.695  1247.61  130.382  1288.45  187.169  1209.12  181.727  316.698   23.842  306.716   23.915 9.981262 33.76937 
1 1 1  -10  -15    9 o  228.887   21.532  673.682  121.623  673.682  121.623   0.0000   0.0000  228.887   21.532  ?   ?  0.000000 21.53174 
1 1 1  -10  -15   10 o  256.757   15.182  835.740   96.909  855.605  141.015  817.961  133.402  257.652   22.132  252.142   21.389 5.509384 30.77807 
1 1 1  -10  -15   11 o  175.038   13.656  388.886   59.219  422.648   89.890  362.997   78.715  180.829   20.254  167.744   19.134 13.08521 27.86280 
1 1 1  -10  -15   12 o  114.346   14.238  167.756   39.774  226.765   65.888  133.923   49.890  131.550   20.744  100.528   20.567 31.02130 29.21153 
1 1 1  -10  -15   13 o  130.721   14.429  218.815   46.317  200.325   74.624  230.401   59.072  122.044   25.316  133.228   18.234 -11.18382 31.19872 
1 1 1  -10  -15   14 o  282.586   22.704  1038.94  158.862   0.0000   0.0000  1038.94  158.862  ?   ?   282.586   22.704 0.000000 22.70386 
1 1 1  -10  -15   15 f  206.764   14.826  545.059   76.043  512.894  114.744  570.248  101.543  197.383   23.756  209.928   19.597 -12.54471 30.79593 
1 1 1  -10  -15   16 o  458.800   22.418  2729.79  256.846  2734.67  367.849  2725.16  358.790  448.602   33.070  448.719   32.234 -0.1172791 46.18070 
1 1 1  -10  -15   17 o  304.333   16.658  1185.30  126.119  1291.12  185.864  1094.99  171.695  313.712   23.905  288.703   24.034 25.00900 33.89807 
1 1 1  -10  -15   18 o  162.234   25.308  352.857   99.182  352.857   99.182   0.0000   0.0000  162.234   25.308  ?   ?  0.000000 25.30750 
1 1 1  -10  -15   19 o   62.211   19.585   49.611   33.952  110.062   75.278   34.173   38.041   90.896   29.222   56.451   20.665 34.44515 35.79059 
1 1 1  -10  -15   20 o   85.008   19.045   96.698   39.427  100.875   81.285   95.413   45.085   88.528   30.423   84.073   21.415 4.454636 37.20457 
1 1 1  -10  -15   21 o  278.340   16.501  996.473  114.183  1085.15  175.305  931.134  150.480  285.359   24.849  265.456   22.925 19.90320 33.80897 
1 1 1  -10  -15   22 o   97.226   20.950  127.882   49.366   0.0000   0.0000  127.882   49.366  ?   ?    97.226   20.950 0.000000 20.95048 
1 1 1  -10  -15   23 o  114.182   17.510  172.287   48.335  196.522  101.929  165.257   54.900  115.857   33.398  110.665   20.625 5.191879 39.25326 
1 1 1  -10  -15   24 o   62.016   20.128   49.936   35.653   91.025   94.902   43.184   38.471   85.745   32.398   59.623   20.905 26.12292 38.55657 
1 1 1  -10  -15   25 o  154.317   16.439  313.941   62.373  295.608  119.769  320.764   73.063  137.935   34.779  154.471   19.367 -16.53523 39.80767 
1 1 1  -10  -15   26 o  132.103   36.797  288.370  125.890  288.370  125.890   0.0000   0.0000  132.103   36.797  ?   ?  0.000000 36.79652 
1 1 1  -10  -15   27 o   72.574   20.550   74.760   38.929   10.448  110.248   83.921   41.610   69.586   31.081   76.616   21.085 -7.030472 37.55811 
1 1 1  -10  -15   28 o  107.109   19.243  161.747   49.577   55.231  123.330  182.277   54.145   76.727   33.633  113.459   19.832 -36.73135 39.04508 
1 1 1  -10  -15   29 o   62.461   20.531   55.552   37.051   0.0000   0.0000   55.552   37.051  ?   ?    62.461   20.531 0.000000 20.53121 
1 1 1  -10  -15   30 o  113.614   20.459  189.468   55.909   0.0000   0.0000  189.468   55.909  ?   ?   113.614   20.459 0.000000 20.45863 
1 1 1  -10  -15   31 o   68.152   21.044   70.690   39.414   0.0000   0.0000   70.690   39.414  ?   ?    68.152   21.044 0.000000 21.04423 
1 1 1  -10  -15   32 o   49.986   19.124   31.430   33.327   0.0000   0.0000   31.430   33.327  ?   ?    49.986   19.124 0.000000 19.12377 
1 1 1  -10  -14    1 o  118.059   21.187  180.678   60.168  180.678   60.168   0.0000   0.0000  118.059   21.187  ?   ?  0.000000 21.18720 
1 1 1  -10  -14    2 o  167.261   13.213  352.652   54.737  375.654   79.542  331.961   75.441  171.857   18.844  161.386   19.089 10.47075 26.82302 
1 1 1  -10  -14    3 o  252.329   14.833  801.342   93.051  819.118  133.429  784.513  129.832  254.083   21.224  248.643   21.110 5.440201 29.93418 
1 1 1  -10  -14    4 o  293.899   16.027  1087.94  117.179  1094.28  167.789  1081.92  163.718  293.397   23.088  291.825   22.643 1.572449 32.33815 
1 1 1  -10  -14    5 o  259.597   21.310  856.477  136.926   0.0000   0.0000  856.477  136.926  ?   ?   259.597   21.310 0.000000 21.31006 
1 1 1  -10  -14    6 o  283.302   15.543  1011.78  109.542  1089.24  157.467  939.130  152.485  292.692   21.699  271.422   22.706 21.27084 31.40680 
1 1 1  -10  -14    7 o  364.102   17.866  1671.51  162.446  1836.58  232.467  1513.98  227.095  379.232   24.682  343.510   26.683 35.72159 36.34819 
1 1 1  -10  -14    8 o  202.486   13.711  517.561   68.920  567.614  101.466  474.689   93.907  210.978   19.479  192.714   19.795 18.26418 27.77154 
1 1 1  -10  -14    9 o  121.356   13.882  187.619   41.312  199.119   64.353  179.557   53.880  123.447   21.666  117.674   18.982 5.773911 28.80469 
1 1 1  -10  -14   10 o  293.622   23.828  1109.95  173.208  1109.95  173.208   0.0000   0.0000  293.622   23.828  ?   ?  0.000000 23.82807 
1 1 1  -10  -14   11 o  304.825   16.469  1178.96  124.900  1234.23  180.177  1127.83  173.295  309.404   23.495  295.622   23.673 13.78177 33.35332 
1 1 1  -10  -14   12 o  425.812   20.643  2316.75  219.504  2387.83  313.676  2248.54  307.275  426.282   29.651  413.391   29.969 12.89154 42.15871 
1 1 1  -10  -14   13 f  165.894   13.665  349.734   56.107  412.868   86.728  304.294   73.578  178.753   19.760  153.176   19.692 25.57722 27.89617 
1 1 1  -10  -14   14 o  279.134   15.446  990.640  107.248  1134.06  157.754  867.386  146.241  296.312   21.465  258.338   22.907 37.97430 31.39204 
1 1 1  -10  -14   15 o  185.557   19.086  444.812   87.177   0.0000   0.0000  444.812   87.177  ?   ?   185.557   19.086 0.000000 19.08591 
1 1 1  -10  -14   16 o  420.813   20.421  2276.95  214.590  2424.13  308.456  2138.90  298.730  427.079   29.096  400.211   30.112 26.86743 41.87202 
1 1 1  -10  -14   17 o  156.107   14.629  311.704   56.362  315.945   90.743  309.040   71.915  154.051   24.401  154.166   19.088 -0.1155243 30.98054 
1 1 1  -10  -14   18 o  285.507   16.649  1042.94  118.189  1031.19  174.382  1052.93  160.740  279.584   25.249  283.888   22.868 -4.304382 34.06561 
1 1 1  -10  -14   19 o  152.269   26.023  312.376   95.397  312.376   95.397   0.0000   0.0000  152.269   26.023  ?   ?  0.000000 26.02307 
1 1 1  -10  -14   20 o   92.804   18.249  114.126   40.784   93.371   78.392  121.829   47.756   86.176   29.862   95.358   20.652 -9.182732 36.30763 
1 1 1  -10  -14   21 o  198.036   15.121  502.438   74.215  564.534  121.347  465.332   93.804  206.194   24.017  188.659   20.226 17.53484 31.39926 
1 1 1  -10  -14   22 o  182.390   16.315  429.077   73.522  285.862  120.154  514.794   92.956  140.975   34.428  198.845   18.950 -57.87012 39.29852 
1 1 1  -10  -14   23 o  197.964   20.039  514.514   97.699   0.0000   0.0000  514.514   97.699  ?   ?   197.964   20.039 0.000000 20.03919 
1 1 1  -10  -14   24 o  158.562   15.825  326.211   61.822  393.411  115.948  299.519   73.075  167.725   28.716  150.216   19.976 17.50900 34.98045 
1 1 1  -10  -14   25 o   98.834   19.440  132.261   46.271   53.288  103.845  151.824   51.685   79.298   32.611  105.730   20.314 -26.43248 38.42038 
1 1 1  -10  -14   26 o  111.660   20.574  170.865   55.253   0.0000   0.0000  170.865   55.253  ?   ?   111.660   20.574 0.000000 20.57357 
1 1 1  -10  -14   27 o   70.932   30.912   20.932  102.839   20.932  102.839   0.0000   0.0000   70.932   30.912  ?   ?  0.000000 30.91202 
1 1 1  -10  -14   28 o  149.090   17.294  300.392   63.192  224.815  127.145  325.184   72.822  112.810   38.058  153.736   19.401 -40.92596 42.71740 
1 1 1  -10  -14   29 o   73.515   20.286   77.887   38.456  181.592  115.904   65.059   40.765  100.654   36.184   67.506   21.483 33.14822 42.08051 
1 1 1  -10  -14   30 o   80.409   20.798   95.310   42.075 -51.0952  126.425  113.545   44.618   63.164   29.938   87.979   20.661 -24.81526 36.37560 
1 1 1  -10  -14   31 o  122.228   20.289  217.658   59.757   0.0000   0.0000  217.658   59.757  ?   ?   122.228   20.289 0.000000 20.28937 
1 1 1  -10  -14   32 o   50.364   19.391   30.208   34.403   0.0000   0.0000   30.208   34.403  ?   ?    50.364   19.391 0.000000 19.39068 
1 1 1  -10  -14   33 o   43.340   17.996   14.658   32.043   0.0000   0.0000   14.658   32.043  ?   ?    43.340   17.996 0.000000 17.99599 
1 1 1  -10  -13    1 o  160.106   13.212  323.142   52.351  341.683   75.614  306.073   72.552  163.897   18.816  154.949   19.159 8.947357 26.85327 
1 1 1  -10  -13    2 o  117.906   13.444  176.354   38.876  176.075   56.807  176.600   53.317  116.705   20.225  117.122   18.871 -0.4168549 27.66158 
1 1 1  -10  -13    3 o  515.105   23.752  3346.59  305.521  3317.46  432.725  3375.55  431.421  509.032   34.241  513.640   33.824 -4.607513 48.13047 
1 1 1  -10  -13    4 o  551.625   25.033  3845.35  344.829  3989.79  489.019  3702.50  486.317  557.569   35.304  536.533   36.514 21.03540 50.79039 
1 1 1  -10  -13    5 o  171.517   13.433  370.945   57.076  350.438   83.531  388.903   78.170  165.541   20.656  174.958   18.156 -9.417496 27.50133 
1 1 1  -10  -13    6 o  318.866   23.879  1293.26  188.761   0.0000   0.0000  1293.26  188.761  ?   ?   318.866   23.879 0.000000 23.87911 
1 1 1  -10  -13    7 o  166.240   13.266  348.806   54.613  382.435   81.237  321.074   73.772  173.176   19.103  158.517   19.016 14.65965 26.95434 
1 1 1  -10  -13    8 o  332.763   17.008  1397.70  140.863  1526.28  201.952  1275.88  196.577  346.112   23.505  315.846   25.131 30.26553 34.41031 
1 1 1  -10  -13    9 o  208.970   13.891  551.041   72.075  600.885  105.412  507.279   98.772  217.157   19.651  199.280   20.124 17.87709 28.12726 
1 1 1  -10  -13   10 o  189.750   13.770  455.025   64.804  461.621   95.470  449.389   88.248  189.771   20.470  187.525   19.112 2.245819 28.00525 
1 1 1  -10  -13   11 o  366.973   27.122  1741.72  246.785  1741.72  246.785   0.0000   0.0000  366.973   27.122  ?   ?  0.000000 27.12205 
1 1 1  -10  -13   12 o  239.156   14.907  724.349   88.583  709.830  128.934  737.330  121.912  234.719   22.264  239.796   20.558 -5.076492 30.30320 
1 1 1  -10  -13   13 o  125.425   14.298  201.023   43.982  194.467   69.077  205.493   57.037  121.078   23.695  125.835   18.721 -4.757202 30.19832 
1 1 1  -10  -13   14 o  622.188   28.719  5064.88  446.212  5235.23  633.983  4897.67  628.136  616.576   41.416  594.744   42.575 21.83197 59.39627 
1 1 1  -10  -13   15 o   66.712   18.403   58.499   31.655   82.618   58.528   48.527   37.634   80.312   25.761   62.762   20.695 17.54945 33.04422 
1 1 1  -10  -13   16 o  262.230   21.833  891.140  141.670   0.0000   0.0000  891.140  141.670  ?   ?   262.230   21.833 0.000000 21.83279 
1 1 1  -10  -13   17 o  214.575   14.533  585.878   77.412  640.481  117.584  544.104  102.846  222.017   21.477  204.893   20.371 17.12404 29.60110 
1 1 1  -10  -13   18 o  240.161   15.160  734.948   90.453  792.368  136.546  690.048  120.745  246.540   22.424  230.463   21.219 16.07658 30.87206 
1 1 1  -10  -13   19 o  140.232   15.310  252.672   52.741  214.824   87.052  274.621   66.293  125.133   28.496  145.300   18.705 -20.16706 34.08691 
1 1 1  -10  -13   20 o  117.095   28.897  189.124   83.982  189.124   83.982   0.0000   0.0000  117.095   28.897  ?   ?  0.000000 28.89733 
1 1 1  -10  -13   21 o  184.609   14.751  435.766   67.436  536.214  111.824  378.358   84.538  201.942   22.560  170.129   20.299 31.81326 30.34846 
1 1 1  -10  -13   22 o  231.670   15.750  687.615   90.578  723.134  142.320  663.433  117.431  233.359   24.803  225.281   21.121 8.077637 32.57686 
1 1 1  -10  -13   23 o  141.841   16.439  260.719   57.147  221.075  103.450  278.130   68.557  124.635   32.795  145.583   19.336 -20.94832 38.07072 
1 1 1  -10  -13   24 o  141.551   19.751  264.596   67.914   0.0000   0.0000  264.596   67.914  ?   ?   141.551   19.751 0.000000 19.75132 
1 1 1  -10  -13   25 o  133.813   17.225  234.745   56.221  225.759  112.443  237.740   64.918  123.665   34.893  133.582   20.083 -9.917137 40.25957 
1 1 1  -10  -13   26 o   50.567   19.587   23.360   35.269   71.029  100.696   16.694   37.654   82.342   32.732   49.225   19.862 33.11703 38.28658 
1 1 1  -10  -13   27 o  281.302   17.518  1041.69  122.447  1127.96  195.628  986.128  157.006  281.699   28.188  268.055   23.700 13.64417 36.82707 
1 1 1  -10  -13   28 o  213.134   31.519  684.808  162.695  684.808  162.695   0.0000   0.0000  213.134   31.519  ?   ?  0.000000 31.51894 
1 1 1  -10  -13   29 o  163.624   16.723  359.399   67.370  403.576  134.574  344.624   77.824  156.319   35.308  157.739   20.223 -1.419388 40.68953 
1 1 1  -10  -13   30 o   43.251   17.854   11.671   31.274   0.2909  117.922   12.532   32.436   68.520   31.225   44.122   18.195 24.39748 36.13894 
1 1 1  -10  -13   31 o  108.126   18.898  165.826   49.170  207.054  133.171  159.319   52.908  101.830   38.401  104.511   21.001 -2.681076 43.76891 
1 1 1  -10  -13   32 o   50.362   19.303   29.320   33.994   0.0000   0.0000   29.320   33.994  ?   ?    50.362   19.303 0.000000 19.30320 
1 1 1  -10  -13   33 o   55.210   20.254   40.926   36.573   0.0000   0.0000   40.926   36.573  ?   ?    55.210   20.254 0.000000 20.25450 
1 1 1  -10  -13   34 o   66.240   21.519   68.173   40.747   0.0000   0.0000   68.173   40.747  ?   ?    66.240   21.519 0.000000 21.51921 
1 1 1  -10  -12    1 o  473.655   31.775  2855.73  373.660  2855.73  373.660   0.0000   0.0000  473.655   31.775  ?   ?  0.000000 31.77509 
1 1 1  -10  -12    2 o  135.531   13.076  232.079   43.706  255.217   62.428  209.835   61.210  141.480   18.084  127.770   19.827 13.70940 26.83485 
1 1 1  -10  -12    3 f  648.563   28.920  5322.86  468.388  5459.89  663.212  5186.50  661.591  651.324   40.985  634.268   42.008 17.05621 58.68936 
1 1 1  -10  -12    4 o  626.744   28.045  4970.29  438.925  5097.12  621.846  4844.36  619.627  629.350   39.772  613.057   40.706 16.29382 56.91025 
1 1 1  -10  -12    5 o  635.356   28.441  5114.47  451.240  5229.30  639.157  5000.36  637.148  636.598   40.416  622.036   41.252 14.56256 57.75074 
1 1 1  -10  -12    6 o  227.586   14.203  651.792   80.318  670.772  115.683  634.128  111.599  229.961   20.355  223.568   20.208 6.392761 28.68263 
1 1 1  -10  -12    7 o  466.908   31.560  2793.17  365.818   0.0000   0.0000  2793.17  365.818  ?   ?   466.908   31.560 0.000000 31.56030 
1 1 1  -10  -12    8 o  151.453   13.393  289.880   50.132  308.295   74.954  274.974   67.436  155.174   19.794  146.589   18.860 8.585236 27.34014 
1 1 1  -10  -12    9 o  115.722   13.989  170.515   39.606  208.337   61.457  143.649   51.797  126.979   20.047  104.899   20.508 22.08019 28.67854 
1 1 1  -10  -12   10 o  519.133   24.148  3425.96  313.042  3406.82  444.134  3444.86  441.296  511.657   34.970  514.775   34.529 -3.118011 49.14417 
1 1 1  -10  -12   11 o  221.274   14.242  618.211   78.278  660.077  114.610  581.605  107.168  227.387   20.401  213.341   20.363 14.04518 28.82466 
1 1 1  -10  -12   12 f  390.922   28.342  1979.07  274.795  1979.07  274.795   0.0000   0.0000  390.922   28.342  ?   ?  0.000000 28.34188 
1 1 1  -10  -12   13 o  311.986   16.706  1234.21  129.680  1290.30  186.716  1181.94  180.247  316.567   23.793  302.819   24.034 13.74796 33.81910 
1 1 1  -10  -12   14 o  287.629   15.943  1049.52  114.064  1129.11  165.670  977.790  157.278  296.074   22.578  275.209   23.099 20.86517 32.30024 
1 1 1  -10  -12   15 o  411.772   20.104  2165.44  206.722  2261.56  295.789  2073.67  289.025  415.177   28.706  397.041   29.359 18.13528 41.06073 
1 1 1  -10  -12   16 o  312.979   17.183  1248.62  133.785  1223.11  193.282  1272.09  185.367  306.028   25.525  312.968   23.899 -6.939545 34.96662 
1 1 1  -10  -12   17 o   55.114   19.905   32.886   35.122   0.0000   0.0000   32.886   35.122  ?   ?    55.114   19.905 0.000000 19.90464 
1 1 1  -10  -12   18 f  276.924   15.384  975.754  105.967  1162.41  157.365  820.896  143.335  299.917   21.147  250.938   23.134 48.97903 31.34293 
1 1 1  -10  -12   19 o   76.301   18.592   77.365   35.099   93.934   66.945   71.084   41.219   85.192   27.575   73.438   21.258 11.75457 34.81792 
1 1 1  -10  -12   20 o  221.913   15.204  628.119   83.749  630.887  127.816  626.037  110.862  219.162   23.734  219.700   20.442 -0.5384674 31.32317 
1 1 1  -10  -12   21 f   74.651   28.415   56.053   73.341   56.053   73.341   0.0000   0.0000   74.651   28.415  ?   ?  0.000000 28.41459 
1 1 1  -10  -12   22 o  160.874   15.623  332.401   61.971  296.482  102.626  353.016   77.747  147.046   28.979  164.680   19.270 -17.63382 34.80071 
1 1 1  -10  -12   23 o  166.749   15.501  357.162   63.809  408.237  110.703  331.750   78.086  174.154   26.272  159.150   20.096 15.00494 33.07667 
1 1 1  -10  -12   24 o  259.506   16.388  864.790  105.653  932.021  165.735  818.764  137.129  264.465   25.408  249.604   22.233 14.86110 33.76216 
1 1 1  -10  -12   25 o  244.416   21.714  786.986  131.151   0.0000   0.0000  786.986  131.151  ?   ?   244.416   21.714 0.000000 21.71390 
1 1 1  -10  -12   26 o  207.348   29.924  601.019  150.460  601.019  150.460   0.0000   0.0000  207.348   29.924  ?   ?  0.000000 29.92443 
1 1 1  -10  -12   27 o  153.365   16.625  308.049   62.651  344.627  122.474  295.085   72.913  152.816   33.055  148.467   20.190 4.348480 38.73341 
1 1 1  -10  -12   28 o  318.597   18.406  1342.25  145.815  1467.99  227.051  1253.99  190.229  320.990   28.626  300.242   25.617 20.74750 38.41479 
1 1 1  -10  -12   29 o  340.291   33.630  1776.80  282.041  1776.80  282.041   0.0000   0.0000  340.291   33.630  ?   ?  0.000000 33.63042 
1 1 1  -10  -12   30 o   84.110   20.731  100.782   43.263   11.654  116.975  114.905   46.565   71.371   31.937   89.715   21.133 -18.34425 38.29592 
1 1 1  -10  -12   31 o   86.603   20.313  107.857   43.169  162.399  124.106  100.349   46.044   96.142   36.875   82.734   21.932 13.40821 42.90405 
1 1 1  -10  -12   32 o   64.253   20.404   59.120   36.789  117.145  130.367   54.099   38.347   85.442   35.946   62.065   20.901 23.37723 41.58068 
1 1 1  -10  -12   33 o   63.634   20.899   58.732   38.395   0.0000   0.0000   58.732   38.395  ?   ?    63.634   20.899 0.000000 20.89931 
1 1 1  -10  -12   34 o   39.275   17.040   2.4330   30.964   0.0000   0.0000   2.4330   30.964  ?   ?    39.275   17.040 0.000000 17.03961 
1 1 1  -10  -12   35 o   55.438   20.559   42.543   37.853   0.0000   0.0000   42.543   37.853  ?   ?    55.438   20.559 0.000000 20.55862 
1 1 1  -10  -11    1 o  912.492   39.924 10630.48  909.739 10777.70  1287.08 10483.49  1286.05  906.852   57.128  893.747   57.934 13.10480 81.36310 
1 1 1  -10  -11    2 o  430.116   29.401  2349.20  313.902  2349.20  313.902   0.0000   0.0000  430.116   29.401  ?   ?  0.000000 29.40149 
1 1 1  -10  -11    3 o  683.643   30.331  5915.44  517.802  6051.34  732.849  5779.96  731.718  685.549   43.026  669.475   44.014 16.07410 61.55034 
1 1 1  -10  -11    4 o  371.902   18.385  1735.98  170.741  1777.92  242.071  1694.46  240.863  374.513   26.046  365.461   26.574 9.052246 37.20978 
1 1 1  -10  -11    5 o  328.922   17.004  1360.78  139.189  1406.52  198.098  1316.19  195.612  333.240   23.965  322.201   24.495 11.03860 34.26882 
1 1 1  -10  -11    6 o  466.319   21.725  2737.36  252.987  2863.71  359.022  2612.75  356.546  474.166   30.482  452.445   31.758 21.72147 44.02015 
1 1 1  -10  -11    7 o  439.833   20.967  2435.48  230.293  2392.63  326.848  2477.73  324.531  432.975   30.423  440.878   29.650 -7.903595 42.48110 
1 1 1  -10  -11    8 o  225.859   20.073  647.233  112.033   0.0000   0.0000  647.233  112.033  ?   ?   225.859   20.073 0.000000 20.07288 
1 1 1  -10  -11    9 o  318.338   16.983  1277.42  134.521  1217.85  191.838  1335.04  188.685  309.070   25.072  324.089   23.473 -15.01874 34.34520 
1 1 1  -10  -11   10 o  168.049   13.613  356.627   56.637  357.158   83.704  356.178   76.919  166.994   20.503  167.103   18.757 -0.1085663 27.78835 
1 1 1  -10  -11   11 o  381.584   18.834  1837.40  179.469  1906.63  256.003  1770.48  251.667  385.786   26.738  371.484   27.321 14.30283 38.22782 
1 1 1  -10  -11   12 o  165.224   13.556  345.255   55.438  379.213   83.281  318.235   74.289  172.049   19.741  157.518   19.289 14.53043 27.60076 
1 1 1  -10  -11   13 o  333.486   25.530  1431.72  210.992  1431.72  210.992   0.0000   0.0000  333.486   25.530  ?   ?  0.000000 25.52995 
1 1 1  -10  -11   14 o  133.890   13.988  228.173   46.077  247.620   71.206  214.163   60.436  137.907   21.368  128.518   19.438 9.388794 28.88654 
1 1 1  -10  -11   15 o  305.497   16.300  1184.06  123.899  1313.05  179.552  1066.81  171.186  319.454   22.655  287.224   24.089 32.22971 33.06865 
1 1 1  -10  -11   16 o  315.632   17.017  1267.33  133.630  1304.90  192.933  1232.69  185.263  317.171   24.550  308.361   24.255 8.809509 34.51118 
1 1 1  -10  -11   17 o  450.727   22.000  2609.94  247.627  2557.55  353.474  2660.44  347.009  437.951   32.553  447.839   31.224 -9.887177 45.10756 
1 1 1  -10  -11   18 f  155.262   18.981  312.076   72.059   0.0000   0.0000  312.076   72.059  ?   ?   155.262   18.981 0.000000 18.98065 
1 1 1  -10  -11   19 o   91.647   17.604  110.438   38.824   81.204   67.729  124.744   47.381   81.203   27.775   96.941   20.227 -15.73803 34.35924 
1 1 1  -10  -11   20 o   62.119   19.348   49.278   33.235   46.313   64.410   50.354   38.799   69.541   26.590   63.752   21.013 5.789421 33.89069 
1 1 1  -10  -11   21 o  108.618   16.746  153.555   43.961  158.439   79.086  151.371   52.885  107.570   28.848  106.825   20.571 0.7453995 35.43116 
1 1 1  -10  -11   22 o  327.877   27.187  1424.76  220.594  1424.76  220.594   0.0000   0.0000  327.877   27.187  ?   ?  0.000000 27.18735 
1 1 1  -10  -11   23 o  210.015   15.815  564.575   82.331  517.274  129.069  597.027  106.905  196.436   27.028  214.376   20.208 -17.93916 33.74700 
1 1 1  -10  -11   24 o   82.878   20.427   92.155   42.005  149.495   88.349   75.407   47.747  104.167   31.379   75.689   23.128 28.47730 38.98092 
1 1 1  -10  -11   25 o  179.940   16.281  417.122   72.366  396.419  123.529  427.939   89.293  169.263   30.339  180.849   20.113 -11.58572 36.40062 
1 1 1  -10  -11   26 o  173.564   16.389  389.498   70.194  364.554  124.274  401.184   85.062  160.503   32.127  174.813   19.837 -14.30972 37.75783 
1 1 1  -10  -11   27 o  130.793   17.463  224.652   55.613  302.059  118.415  202.747   62.993  143.943   33.561  122.698   21.334 21.24521 39.76787 
1 1 1  -10  -11   28 o  334.260   18.444  1465.07  153.357  1647.71  236.169  1331.91  201.657  344.539   27.683  311.253   26.188 33.28687 38.10735 
1 1 1  -10  -11   29 o  306.281   18.024  1238.40  137.245  1403.02  218.452  1131.05  176.406  314.298   28.131  285.690   24.978 28.60785 37.61959 
1 1 1  -10  -11   30 o  177.214   34.874  494.839  148.835  494.839  148.835   0.0000   0.0000  177.214   34.874  ?   ?  0.000000 34.87439 
1 1 1  -10  -11   31 o   61.538   20.746   50.757   37.782 -25.8769  113.374   60.331   40.072   65.579   30.157   66.008   21.331 -0.4287720 36.93871 
1 1 1  -10  -11   32 o   41.539   17.505   7.0749   31.003 -57.1269  115.073   12.100   32.194   61.306   28.908   43.863   18.111 17.44335 34.11285 
1 1 1  -10  -11   33 o   46.706   18.722   19.522   33.220 -18.2101  129.462   22.181   34.371   67.395   31.417   48.143   19.128 19.25133 36.78208 
1 1 1  -10  -11   34 o   47.516   18.915   22.061   33.669   0.0000   0.0000   22.061   33.669  ?   ?    47.516   18.915 0.000000 18.91488 
1 1 1  -10  -11   35 o   65.673   21.456   64.793   40.487   0.0000   0.0000   64.793   40.487  ?   ?    65.673   21.456 0.000000 21.45615 
1 1 1  -10  -11   36 o   54.391   20.476   39.911   37.828   0.0000   0.0000   39.911   37.828  ?   ?    54.391   20.476 0.000000 20.47606 
1 1 1  -10  -10    1 o  800.309   27.758  8080.94  554.754  9013.01  963.205  7618.29  678.608  836.349   46.299  774.668   35.079 61.68127 58.08789 
1 1 1  -10  -10    2 o  423.632   16.008  2248.69  169.345  2443.94  294.663  2152.40  206.932  439.415   26.984  414.052   20.013 25.36301 33.59578 
1 1 1  -10  -10    3 o  138.712   18.642  245.690   62.938  245.690   62.938   0.0000   0.0000  138.712   18.642  ?   ?  0.000000 18.64154 
1 1 1  -10  -10    4 o  454.623   21.364  2597.62  242.537  2619.57  343.271  2575.75  342.728  454.031   30.453  450.145   30.672 3.886047 43.22191 
1 1 1  -10  -10    5 o  600.692   27.006  4554.51  405.099  4635.60  573.464  4473.75  572.330  601.576   38.374  590.686   39.020 10.89087 54.72795 
1 1 1  -10  -10    6 o  1074.48   47.189 14919.41  1266.16 15139.99  1791.48 14699.26  1789.76  1061.64   67.931  1044.88   68.981 16.75623 96.81413 
1 1 1  -10  -10    7 o  383.183   18.719  1844.06  179.116  1938.71  254.625  1751.34  252.011  390.947   26.234  371.223   27.379 19.72388 37.91810 
1 1 1  -10  -10    8 o  643.547   28.830  5249.25  463.321  5296.34  656.247  5202.44  654.228  640.249   41.265  634.393   41.526 5.855652 58.54290 
1 1 1  -10  -10    9 o  363.443   26.048  1680.05  234.836   0.0000   0.0000  1680.05  234.836  ?   ?   363.443   26.048 0.000000 26.04764 
1 1 1  -10  -10   10 o  430.533   20.664  2336.81  222.159  2325.31  315.553  2348.12  312.825  426.282   29.831  428.522   29.411 -2.239380 41.89187 
1 1 1  -10  -10   11 o  581.429   26.444  4296.90  383.949  4387.04  544.410  4207.70  541.574  581.128   37.719  568.705   38.359 12.42328 53.79688 
1 1 1  -10  -10   12 o  288.553   16.047  1050.63  115.173  1057.88  165.217  1043.77  160.637  287.932   23.174  286.128   22.667 1.804291 32.41708 
1 1 1  -10  -10   13 o  203.510   14.019  522.947   70.812  552.501  104.055  497.454   96.642  207.978   20.294  197.340   19.882 10.63774 28.41005 
1 1 1  -10  -10   14 o  438.859   30.908  2504.13  336.557  2504.13  336.557   0.0000   0.0000  438.859   30.908  ?   ?  0.000000 30.90759 
1 1 1  -10  -10   15 o  151.459   13.982  291.279   52.286  290.253   79.217  292.070   69.600  149.427   21.877  150.638   18.920 -1.210892 28.92344 
1 1 1  -10  -10   16 o  215.980   14.225  590.743   76.295  665.257  113.211  528.744  103.267  227.721   20.115  202.660   20.696 25.06110 28.86054 
1 1 1  -10  -10   17 o  411.612   20.108  2162.14  206.689  2259.71  295.936  2069.22  288.801  415.314   28.711  396.934   29.344 18.38016 41.05333 
1 1 1  -10  -10   18 o  196.378   14.494  490.000   70.576  480.711  106.278  497.329   94.395  192.162   22.578  196.495   19.495 -4.333481 29.82959 
1 1 1  -10  -10   19 o  242.001   21.093  756.649  126.192   0.0000   0.0000  756.649  126.192  ?   ?   242.001   21.093 0.000000 21.09252 
1 1 1  -10  -10   20 o  222.632   15.000  630.669   82.908  649.793  124.284  615.335  111.290  223.410   22.587  218.073   20.684 5.337112 30.62695 
1 1 1  -10  -10   21 o  233.268   15.641  693.664   90.586  646.911  136.125  730.825  121.359  221.718   25.024  237.687   20.652 -15.96843 32.44488 
1 1 1  -10  -10   22 o  294.171   16.952  1105.84  124.003  1113.31  183.382  1099.54  168.318  291.043   25.489  290.353   23.413 0.6900940 34.61007 
1 1 1  -10  -10   23 o  195.245   25.012  504.755  119.146  504.755  119.146   0.0000   0.0000  195.245   25.012  ?   ?  0.000000 25.01209 
1 1 1  -10  -10   24 f  125.242   20.453  206.902   61.759   0.0000   0.0000  206.902   61.759  ?   ?   125.242   20.453 0.000000 20.45299 
1 1 1  -10  -10   25 o  238.443   26.154  757.348  153.174  757.348  153.174   0.0000   0.0000  238.443   26.154  ?   ?  0.000000 26.15405 
1 1 1  -10  -10   26 o   56.452   20.774   33.852   38.517   16.331   89.319   37.854   42.691   69.920   29.602   59.437   21.871 10.48267 36.80560 
1 1 1  -10  -10   27 o  166.158   16.603  357.550   67.966  309.999  121.742  379.082   81.922  146.790   33.897  169.945   19.667 -23.15480 39.18905 
1 1 1  -10  -10   28 o  127.046   20.636  216.205   63.221   0.0000   0.0000  216.205   63.221  ?   ?   127.046   20.636 0.000000 20.63560 
1 1 1  -10  -10   29 o  155.174   16.800  315.802   64.060  354.233  126.066  302.424   74.378  154.379   33.651  150.175   20.358 4.204117 39.32963 
1 1 1  -10  -10   30 o  183.914   17.120  446.509   77.725  387.754  143.054  471.117   92.582  156.516   37.156  187.067   20.136 -30.55130 42.26183 
1 1 1  -10  -10   31 o   82.970   34.430   74.958  117.182   74.958  117.182   0.0000   0.0000   82.970   34.430  ?   ?  0.000000 34.42985 
1 1 1  -10  -10   32 o  133.919   17.565  243.712   57.326  356.093  134.644  218.831   63.355  143.880   37.200  124.641   21.108 19.23927 42.77166 
1 1 1  -10  -10   33 o   61.248   20.765   51.234   37.853   41.913  125.684   52.164   39.696   75.467   33.479   61.877   21.261 13.59004 39.65895 
1 1 1  -10  -10   34 o   53.034   19.905   33.692   35.695 -47.1738  133.282   39.940   37.048   65.295   30.887   55.904   20.404 9.390984 37.01821 
1 1 1  -10  -10   35 o   65.297   20.664   62.331   37.755   0.0000   0.0000   62.331   37.755  ?   ?    65.297   20.664 0.000000 20.66365 
1 1 1  -10  -10   36 o   59.640   20.169   51.371   35.711   0.0000   0.0000   51.371   35.711  ?   ?    59.640   20.169 0.000000 20.16902 
1 1 1  -10  -10   37 o   71.083   21.154   78.931   40.333   0.0000   0.0000   78.931   40.333  ?   ?    71.083   21.154 0.000000 21.15382 
1 1 1  -10   -9    1 o  615.760   22.412  4765.81  344.614  4762.99  597.483  4767.22  421.855  610.161   39.424  614.826   27.476 -4.664307 48.05408 
1 1 1  -10   -9    2 o  930.540   32.679 10966.35  759.378 11680.63  1317.17 10610.75  929.379  946.085   56.001  911.731   40.820 34.35339 69.29958 
1 1 1  -10   -9    3 o  773.787   27.636  7553.14  534.010  7667.30  925.698  7496.20  653.755  770.157   48.378  768.831   34.051 1.326172 59.16047 
1 1 1  -10   -9    4 o  256.837   14.205  828.427   90.752  407.561  127.920  1254.90  128.770  177.225   29.973  316.024   16.373 -138.7982 34.15354 
1 1 1  -10   -9    5 o  522.399   23.936  3434.93  312.253  3445.65  441.896  3424.24  441.289  519.976   34.223  518.331   34.287 1.644592 48.44377 
1 1 1  -10   -9    6 o  318.100   16.673  1271.98  131.985  1312.79  187.518  1231.92  185.804  322.128   23.473  311.892   24.042 10.23541 33.60003 
1 1 1  -10   -9    7 o  482.671   22.317  2931.04  268.987  3078.15  381.463  2785.55  379.356  491.916   31.215  467.430   32.706 24.48572 45.21130 
1 1 1  -10   -9    8 o  439.363   20.850  2427.39  228.756  2454.90  324.438  2400.20  322.588  439.283   29.751  434.293   29.928 4.990356 42.19963 
1 1 1  -10   -9    9 o  499.605   23.146  3146.12  288.776  3168.06  409.482  3124.41  407.307  497.865   33.125  494.388   33.184 3.477814 46.88773 
1 1 1  -10   -9   10 o  739.335   47.909  7159.26  879.772   0.0000   0.0000  7159.26  879.772  ?   ?   739.335   47.909 0.000000 47.90947 
1 1 1  -10   -9   11 f  486.402   22.629  2987.69  274.864  3075.60  390.214  2901.11  387.236  489.753   32.083  475.307   32.826 14.44586 45.90107 
1 1 1  -10   -9   12 o  291.894   16.035  1073.91  116.434  1118.52  166.832  1031.56  162.576  296.540   22.702  284.625   23.072 11.91562 32.36789 
1 1 1  -10   -9   13 o  180.423   13.770  411.021   61.574  414.827   90.586  407.752   83.949  180.059   20.513  178.787   19.099 1.271866 28.02712 
1 1 1  -10   -9   14 f  331.880   17.279  1392.55  142.704  1464.11  204.310  1324.38  199.406  338.294   24.348  321.439   25.040 16.85461 34.92566 
1 1 1  -10   -9   15 o  379.802   27.746  1863.06  261.332  1863.06  261.332   0.0000   0.0000  379.802   27.746  ?   ?  0.000000 27.74599 
1 1 1  -10   -9   16 o  118.176   14.474  178.523   41.820  219.829   66.186  151.072   53.956  129.851   21.138  107.222   20.903 22.62910 29.72787 
1 1 1  -10   -9   17 o  450.625   21.764  2594.53  244.913  2588.55  348.983  2600.33  343.796  443.509   31.720  444.931   31.139 -1.422516 44.44953 
1 1 1  -10   -9   18 o  317.741   16.958  1283.63  134.066  1368.01  193.850  1206.27  185.614  325.154   24.045  304.988   24.580 20.16647 34.38478 
1 1 1  -10   -9   19 o  105.509   15.975  144.077   40.774  153.109   68.281  139.071   50.832  106.636   25.899  102.567   20.562 4.069420 33.06923 
1 1 1  -10   -9   20 o   65.629   21.246   53.896   39.741   0.0000   0.0000   53.896   39.741  ?   ?    65.629   21.246 0.000000 21.24621 
1 1 1  -10   -9   21 o   73.742   19.301   72.048   35.957   47.186   66.304   82.406   42.796   70.497   26.973   78.767   21.262 -8.270256 34.34583 
1 1 1  -10   -9   22 o  390.794   19.346  1954.62  188.795  2128.45  274.085  1797.67  260.431  402.059   27.463  368.621   28.514 33.43777 39.58858 
1 1 1  -10   -9   23 o  174.461   15.287  388.989   65.926  384.100  105.704  392.101   84.339  169.896   25.719  173.838   19.780 -3.942001 32.44613 
1 1 1  -10   -9   24 o  172.699   26.189  398.263  109.400  398.263  109.400   0.0000   0.0000  172.699   26.189  ?   ?  0.000000 26.18900 
1 1 1  -10   -9   25 o  197.760   15.510  500.199   75.979  543.222  123.276  473.845   96.483  202.521   24.900  190.733   20.583 11.78806 32.30616 
1 1 1  -10   -9   26 o   80.390   20.865   86.632   42.250  190.921   92.148   58.871   47.542  117.004   31.031   68.995   23.272 48.00940 38.78754 
1 1 1  -10   -9   27 o   79.641   21.448   85.284   43.608   51.451   95.744   94.140   48.984   79.035   31.748   83.507   22.834 -4.472000 39.10616 
1 1 1  -10   -9   28 o   60.555   21.124   43.677   39.261  -5.0302  100.556   52.438   42.646   69.351   30.385   65.028   22.041 4.322510 37.53740 
1 1 1  -10   -9   29 o   55.116   21.211   28.704   41.152   0.0000   0.0000   28.704   41.152  ?   ?    55.116   21.211 0.000000 21.21120 
1 1 1  -10   -9   30 o   49.771   19.621   20.635   35.907   36.801  104.319   18.462   38.244   76.126   32.097   50.047   20.078 26.07924 37.86015 
1 1 1  -10   -9   31 o  118.359   18.927  189.442   54.055  138.549  122.304  201.797   60.260   97.884   36.824  121.413   20.613 -23.52892 42.20068 
1 1 1  -10   -9   32 o   71.332   21.645   71.076   41.927  179.603  119.104   55.726   44.794  104.887   36.782   65.130   22.573 39.75758 43.15565 
1 1 1  -10   -9   33 o   71.042   20.421   71.537   38.156   62.357  126.226   72.460   40.028   80.148   34.588   71.400   21.030 8.748154 40.47940 
1 1 1  -10   -9   34 o  107.312   19.322  162.230   49.874   61.403  135.089  178.142   53.665   79.422   34.996  112.207   19.880 -32.78502 40.24844 
1 1 1  -10   -9   35 o   53.403   19.371   36.030   33.316   91.486  130.057   32.135   34.466   81.579   35.157   52.062   19.556 29.51749 40.23006 
1 1 1  -10   -9   36 o  122.694   20.164  218.171   59.634   0.0000   0.0000  218.171   59.634  ?   ?   122.694   20.164 0.000000 20.16425 
1 1 1  -10   -9   37 o   62.043   20.611   56.690   37.303   0.0000   0.0000   56.690   37.303  ?   ?    62.043   20.611 0.000000 20.61075 
1 1 1  -10   -9   38 o  156.702   21.013  372.629   80.154   0.0000   0.0000  372.629   80.154  ?   ?   156.702   21.013 0.000000 21.01254 
1 1 1  -10   -8    1 o  358.190   14.418  1606.35  128.964  1665.61  224.124  1577.02  157.684  362.921   24.880  354.196   17.885 8.724792 30.64178 
1 1 1  -10   -8    2 o  476.735   18.038  2849.95  214.740  2873.23  372.590  2838.37  262.774  475.582   31.552  475.250   22.142 0.3321533 38.54590 
1 1 1  -10   -8    3 o  631.665   22.953  5016.61  362.061  5013.10  627.709  5018.36  443.220  625.707   40.389  630.678   28.142 -4.971008 49.22661 
1 1 1  -10   -8    4 o  360.954   14.637  1631.41  131.932  1440.93  228.729  1726.38  161.507  336.945   27.422  371.090   17.429 -34.14508 32.49162 
1 1 1  -10   -8    5 o  490.059   22.672  3019.43  277.447  2637.12  392.436  3401.49  392.303  454.590   34.835  517.839   30.472 -63.24942 46.28169 
1 1 1  -10   -8    6 o  653.760   23.583  5377.56  385.000  5108.54  666.941  5512.01  471.491  630.442   42.614  660.701   28.577 -30.25952 51.30868 
1 1 1  -10   -8    7 o  622.171   27.869  4887.00  432.990  4939.35  612.886  4834.83  611.795  620.797   39.743  614.017   40.121 6.780273 56.47309 
1 1 1  -10   -8    8 o  705.680   31.306  6309.32  551.673  6297.88  780.669  6320.72  779.697  698.349   45.005  699.693   44.860 -1.344360 63.54455 
1 1 1  -10   -8    9 o  445.813   20.968  2499.06  233.428  2634.21  331.258  2365.76  328.990  455.295   29.291  430.980   30.771 24.31458 42.48294 
1 1 1  -10   -8   10 o  1189.34   52.730 18518.02  1566.08 18621.92  2215.53 18414.26  2214.02  1161.14   76.843  1154.01   77.275 7.132202 108.9781 
1 1 1  -10   -8   11 o  152.858   18.797  298.078   70.238   0.0000   0.0000  298.078   70.238  ?   ?   152.858   18.797 0.000000 18.79675 
1 1 1  -10   -8   12 o  344.450   17.643  1495.41  151.251  1549.23  215.769  1443.42  212.081  349.011   24.921  336.697   25.411 12.31375 35.59182 
1 1 1  -10   -8   13 o  325.142   17.084  1333.26  138.226  1365.42  197.578  1302.44  193.451  327.395   24.341  319.694   24.416 7.701019 34.47657 
1 1 1  -10   -8   14 o  436.839   20.772  2412.37  226.597  2543.49  322.415  2284.40  318.533  445.017   29.174  421.100   30.498 23.91629 42.20485 
1 1 1  -10   -8   15 o  211.296   14.125  563.603   74.098  618.232  108.506  515.864  101.433  220.199   19.949  200.862   20.510 19.33731 28.61181 
1 1 1  -10   -8   16 o  479.683   33.233  3007.13  395.631  3007.13  395.631   0.0000   0.0000  479.683   33.233  ?   ?  0.000000 33.23307 
1 1 1  -10   -8   17 o  474.305   22.599  2871.75  267.669  2861.14  380.503  2882.14  376.611  466.795   32.852  468.847   32.365 -2.052246 46.11664 
1 1 1  -10   -8   18 o  404.738   19.905  2085.18  201.177  2153.47  287.630  2019.78  281.484  406.371   28.525  393.302   28.862 13.06900 40.57895 
1 1 1  -10   -8   19 o  205.844   14.710  537.832   75.116  484.637  110.701  583.225  102.261  192.889   23.466  213.145   19.426 -20.25661 30.46315 
1 1 1  -10   -8   20 o  191.083   14.593  464.055   69.107  441.060  103.741  482.399   92.658  183.846   23.107  193.565   19.432 -9.719162 30.19165 
1 1 1  -10   -8   21 o  378.473   27.685  1880.02  259.841   0.0000   0.0000  1880.02  259.841  ?   ?   378.473   27.685 0.000000 27.68513 
1 1 1  -10   -8   22 o  446.635   21.524  2563.93  240.062  2702.60  344.841  2433.52  334.397  451.005   30.803  427.231   31.567 23.77402 44.10566 
1 1 1  -10   -8   23 o  403.390   29.288  2155.68  293.023   0.0000   0.0000  2155.68  293.023  ?   ?   403.390   29.288 0.000000 29.28848 
1 1 1  -10   -8   24 o  227.220   24.873  678.748  138.824  678.748  138.824   0.0000   0.0000  227.220   24.873  ?   ?  0.000000 24.87255 
1 1 1  -10   -8   25 o  142.089   28.254  274.470   96.724  274.470   96.724   0.0000   0.0000  142.089   28.254  ?   ?  0.000000 28.25441 
1 1 1  -10   -8   26 o  119.960   17.875  187.738   51.913  182.503   96.268  189.884   61.644  114.631   32.265  119.617   21.424 -4.985931 38.73035 
1 1 1  -10   -8   27 o   99.381   19.708  131.323   47.182  156.928   97.828  123.562   53.860  106.795   33.184   95.638   22.862 11.15724 40.29685 
1 1 1  -10   -8   28 o  211.121   16.163  572.760   84.566  625.842  141.426  543.218  105.505  215.635   26.845  203.582   21.058 12.05270 34.11872 
1 1 1  -10   -8   29 o  210.209   16.900  571.410   87.962  498.980  147.244  611.602  109.685  187.955   32.550  215.756   20.609 -27.80161 38.52590 
1 1 1  -10   -8   30 o   88.888   22.983  108.907   51.393   0.0000   0.0000  108.907   51.393  ?   ?    88.888   22.983 0.000000 22.98328 
1 1 1  -10   -8   31 o  128.393   17.451  218.448   54.501  213.838  120.667  219.630   61.086  117.651   36.903  127.735   19.791 -10.08364 41.87491 
1 1 1  -10   -8   32 o   46.722   18.360   18.830   31.345  106.415  114.892   11.787   32.581   90.104   35.226   44.697   18.310 45.40676 39.70078 
1 1 1  -10   -8   33 o   82.825   20.299   96.504   41.657  149.401  118.479   89.043   44.499   97.553   36.333   79.142   21.814 18.41064 42.37854 
1 1 1  -10   -8   34 o   88.861   19.801  111.666   42.814   87.179  125.953  114.865   45.525   83.893   35.315   89.697   20.739 -5.804466 40.95431 
1 1 1  -10   -8   35 o   45.563   18.358   16.985   32.121   45.633  127.563   15.046   33.190   76.140   33.755   45.344   18.517 30.79686 38.50045 
1 1 1  -10   -8   36 o  183.240   17.982  464.987   81.222  440.061  170.832  472.268   92.324  143.055   43.752  181.876   20.696 -38.82079 48.40037 
1 1 1  -10   -8   37 o   56.742   20.319   43.395   36.516   0.0000   0.0000   43.395   36.516  ?   ?    56.742   20.319 0.000000 20.31893 
1 1 1  -10   -8   38 o   41.180   17.502   7.9593   31.418   0.0000   0.0000   7.9593   31.418  ?   ?    41.180   17.502 0.000000 17.50162 
1 1 1  -10   -7    1 f  688.814   24.552  5971.47  422.318  6434.52  732.763  5741.15  516.779  708.658   41.589  673.894   30.709 34.76367 51.69824 
1 1 1  -10   -7    2 o  838.123   29.798  8873.48  623.653  8761.55  1080.34  8929.42  763.765  821.105   52.971  838.343   36.483 -17.23785 64.31864 
1 1 1  -10   -7    3 o  731.696   25.336  6741.11  462.938  7347.88  803.407  6439.50  566.427  757.008   42.674  713.427   31.794 43.58112 53.21550 
1 1 1  -10   -7    4 o  483.473   16.578  2929.04  200.147  3456.57  348.669  2669.78  244.429  523.034   26.785  461.052   21.230 61.98273 34.17830 
1 1 1  -10   -7    5 o  400.262   14.653  2006.02  146.462  2278.90  254.788  1871.35  178.991  424.927   24.111  386.264   18.556 38.66281 30.42465 
1 1 1  -10   -7    6 o  772.454   33.502  7561.63  646.239  6618.96  912.900  8508.52  914.942  713.891   51.555  813.327   45.227 -99.43610 68.58131 
1 1 1  -10   -7    7 o  994.791   34.983 12562.34  869.037 12252.94  1505.31 12717.02  1064.32  963.239   62.926  996.866   42.755 -33.62646 76.07695 
1 1 1  -10   -7    8 o  1004.39   35.213 12816.38  883.208 12384.47  1529.74 13032.34  1081.71  966.865   63.715  1008.60   42.948 -41.73456 76.83839 
1 1 1  -10   -7    9 o  838.010   36.819  8944.69  770.492  9005.08  1090.21  8884.42  1089.07  830.753   52.826  824.931   53.150 5.822205 74.93708 
1 1 1  -10   -7   10 o  671.323   29.802  5706.48  499.604  5935.56  707.611  5478.77  705.487  678.867   41.946  651.312   43.628 27.55426 60.52187 
1 1 1  -10   -7   11 o  275.119   15.266  951.776  104.469  1076.59  149.764  833.479  145.799  291.842   20.684  256.183   23.037 35.65872 30.95990 
1 1 1  -10   -7   12 o  587.773   38.523  4455.43  562.304   0.0000   0.0000  4455.43  562.304  ?   ?   587.773   38.523 0.000000 38.52299 
1 1 1  -10   -7   13 f  629.570   28.387  5037.30  446.282  5068.86  632.231  5005.96  630.051  624.572   40.760  620.596   40.884 3.975708 57.73092 
1 1 1  -10   -7   14 o  415.439   19.971  2176.70  207.184  2292.30  294.894  2064.03  291.145  423.403   28.050  401.258   29.258 22.14557 40.53138 
1 1 1  -10   -7   15 o  629.703   28.351  5067.15  445.811  5323.78  632.329  4813.52  628.631  637.234   39.939  604.368   41.912 32.86676 57.89374 
1 1 1  -10   -7   16 o  217.611   14.367  597.911   77.632  629.724  113.311  569.769  106.575  222.067   20.671  211.188   20.465 10.87952 29.08790 
1 1 1  -10   -7   17 o  151.580   21.394  297.396   78.731  297.396   78.731   0.0000   0.0000  151.580   21.394  ?   ?  0.000000 21.39447 
1 1 1  -10   -7   18 o  303.504   16.795  1167.90  126.796  1135.85  182.048  1198.09  176.704  296.653   24.802  305.276   23.357 -8.623474 34.06873 
1 1 1  -10   -7   19 o  339.322   17.918  1464.26  151.292  1457.89  217.079  1470.28  210.970  335.186   26.141  337.037   25.250 -1.850311 36.34464 
1 1 1  -10   -7   20 o  450.046   21.738  2593.05  244.299  2640.01  348.571  2547.73  342.491  447.208   31.412  439.276   31.430 7.932343 44.43582 
1 1 1  -10   -7   21 o  254.440   15.688  822.646   99.190  810.264  145.291  833.454  135.746  249.816   23.568  254.165   21.592 -4.348663 31.96378 
1 1 1  -10   -7   22 o  273.906   22.562  971.216  152.947   0.0000   0.0000  971.216  152.947  ?   ?   273.906   22.562 0.000000 22.56151 
1 1 1  -10   -7   23 o  194.015   15.210  479.590   73.100  438.865  111.230  510.553   96.987  182.427   25.080  198.879   19.792 -16.45241 31.94840 
1 1 1  -10   -7   24 o  271.934   16.027  941.771  108.355  1047.43  162.280  856.769  145.554  283.929   23.088  256.688   22.950 27.24139 32.55347 
1 1 1  -10   -7   25 o  156.428   15.461  313.323   59.605  338.959   97.831  298.189   75.166  159.614   25.395  151.172   20.435 8.442017 32.59640 
1 1 1  -10   -7   26 o  304.504   26.724  1224.22  201.154  1224.22  201.154   0.0000   0.0000  304.504   26.724  ?   ?  0.000000 26.72374 
1 1 1  -10   -7   27 o  334.638   18.770  1439.51  156.222  1398.83  230.821  1473.90  212.212  323.648   28.862  334.569   25.594 -10.92017 38.57595 
1 1 1  -10   -7   28 o  155.656   16.247  312.166   62.223  389.176  111.671  277.491   74.933  169.715   27.273  145.036   21.326 24.67883 34.62103 
1 1 1  -10   -7   29 o  346.393   18.985  1551.91  163.592  1625.68  245.523  1493.02  219.386  347.129   28.578  334.337   26.494 12.79248 38.96925 
1 1 1  -10   -7   30 o  175.481   16.319  398.515   70.692  403.171  130.045  396.562   84.223  168.638   32.052  173.644   19.776 -5.006424 37.66227 
1 1 1  -10   -7   31 o  211.752   20.751  595.304  108.318   0.0000   0.0000  595.304  108.318  ?   ?   211.752   20.751 0.000000 20.75109 
1 1 1  -10   -7   32 o   53.037   19.529   31.033   34.046   89.274  105.835   24.310   35.957   86.521   33.814   51.076   19.779 35.44487 39.17370 
1 1 1  -10   -7   33 o  257.223   17.565  876.459  112.154  908.740  187.270  858.405  140.046  247.876   30.927  249.857   22.693 -1.980927 38.35930 
1 1 1  -10   -7   34 o  176.687   16.449  415.805   71.741  541.268  143.373  373.898   82.861  187.436   31.766  164.628   20.607 22.80849 37.86423 
1 1 1  -10   -7   35 o  142.258   17.601  275.581   61.192  332.897  140.793  262.232   67.945  135.133   39.338  136.768   20.528 -1.635162 44.37236 
1 1 1  -10   -7   36 o  162.273   17.734  361.211   70.694  338.207  155.728  367.181   79.340  129.101   42.075  161.646   20.088 -32.54500 46.62460 
1 1 1  -10   -7   37 o   68.928   21.120   69.401   39.787   57.631  146.316   70.340   41.345   78.329   35.329   69.292   21.580 9.036652 41.39798 
1 1 1  -10   -7   38 o  180.269   21.094  474.712   93.164   0.0000   0.0000  474.712   93.164  ?   ?   180.269   21.094 0.000000 21.09423 
1 1 1  -10   -7   39 o   41.914   17.740   9.4316   32.062   0.0000   0.0000   9.4316   32.062  ?   ?    41.914   17.740 0.000000 17.74003 
1 1 1  -10   -6    1 o  661.300   20.531  5491.19  339.045  5411.92  479.341  5570.55  479.623  654.599   29.324  664.227   28.916 -9.628540 41.18243 
1 1 1  -10   -6    2 o  1436.45   43.768 26416.99  1570.01 26362.44  2220.26 26471.55  2220.40  1416.57   62.765  1419.65   62.632 -3.076416 88.66915 
1 1 1  -10   -6    3 o  736.606   25.154  6831.03  462.689  7591.74  803.209  6453.23  566.039  769.850   41.938  714.206   31.737 55.64386 52.59371 
1 1 1  -10   -6    4 o  164.171   10.105  338.241   41.224  355.943   72.707  329.854   50.045  167.586   17.638  161.894   12.475 5.692444 21.60415 
1 1 1  -10   -6    5 o  226.343   11.437  642.385   64.436  507.957  111.782  709.281   78.855  199.753   22.819  237.694   13.339 -37.94159 26.43150 
1 1 1  -10   -6    6 o  354.110   17.902  1576.17  157.793  1371.75  223.561  1779.11  222.748  328.728   27.486  375.341   23.889 -46.61295 36.41677 
1 1 1  -10   -6    7 o  544.885   20.162  3726.94  274.346  3528.51  475.108  3826.19  336.030  525.836   36.406  551.411   24.403 -25.57538 43.82832 
1 1 1  -10   -6    8 o  354.680   17.899  1581.46  158.020  1587.35  223.719  1575.59  223.230  354.117   25.469  352.789   25.511 1.327637 36.04836 
1 1 1  -10   -6    9 o  594.505   21.493  4441.52  319.082  4857.44  554.583  4235.70  390.122  617.108   36.145  579.501   26.958 37.60657 45.09161 
1 1 1  -10   -6   10 o  623.206   21.975  4883.89  341.987  5529.71  594.983  4565.26  417.922  658.164   36.342  601.250   27.835 56.91364 45.77666 
1 1 1  -10   -6   11 o  702.894   31.085  6263.34  545.613  6522.21  772.743  6005.99  770.489  710.817   43.746  681.057   45.566 29.75970 63.16672 
1 1 1  -10   -6   12 o  846.448   37.314  9163.31  788.722  9249.61  1116.27  9077.28  1114.57  838.476   53.593  830.235   54.054 8.241577 76.11865 
1 1 1  -10   -6   13 o  405.213   28.274  2092.08  284.312   0.0000   0.0000  2092.08  284.312  ?   ?   405.213   28.274 0.000000 28.27428 
1 1 1  -10   -6   14 o  134.837   13.946  230.405   46.278  222.448   68.498  237.087   62.770  131.104   21.680  135.962   19.007 -4.857895 28.83240 
1 1 1  -10   -6   15 o  214.934   14.137  582.251   75.456  639.304  109.394  530.470  104.217  224.315   19.730  203.972   20.749 20.34323 28.63224 
1 1 1  -10   -6   16 o  659.428   29.723  5572.14  489.456  5741.31  693.786  5404.52  690.614  659.594   42.345  638.903   43.546 20.69080 60.73977 
1 1 1  -10   -6   17 o  556.683   25.748  3957.71  357.938  3925.18  507.622  3989.88  504.792  546.563   37.417  551.463   36.868 -4.899475 52.52930 
1 1 1  -10   -6   18 o  176.442   21.135  400.906   91.268  400.906   91.268   0.0000   0.0000  176.442   21.135  ?   ?  0.000000 21.13466 
1 1 1  -10   -6   19 o  327.370   17.268  1359.66  140.665  1449.68  201.947  1274.83  196.044  335.526   24.266  314.157   25.202 21.36856 34.98515 
1 1 1  -10   -6   20 o  262.796   15.784  876.000  103.103  854.307  149.396  895.728  142.470  257.072   23.533  263.898   21.815 -6.826538 32.08865 
1 1 1  -10   -6   21 o  358.496   18.545  1638.38  165.453  1683.00  237.791  1596.51  230.357  359.466   26.681  350.137   26.543 9.329346 37.63514 
1 1 1  -10   -6   22 o  405.101   29.175  2157.32  293.158   0.0000   0.0000  2157.32  293.158  ?   ?   405.101   29.175 0.000000 29.17459 
1 1 1  -10   -6   23 o  193.351   20.291  483.017   96.509   0.0000   0.0000  483.017   96.509  ?   ?   193.351   20.291 0.000000 20.29053 
1 1 1  -10   -6   24 o  250.699   15.439  799.191   96.186  901.325  144.591  718.117  128.825  263.854   22.149  235.315   22.185 28.53912 31.34908 
1 1 1  -10   -6   25 o  219.542   15.775  614.391   85.907  545.971  130.030  667.387  114.439  203.224   26.235  227.352   20.373 -24.12805 33.21624 
1 1 1  -10   -6   26 o  155.868   15.715  311.311   60.334  309.729   99.860  312.220   75.717  151.739   27.360  154.882   20.047 -3.142654 33.91885 
1 1 1  -10   -6   27 o  328.561   18.167  1383.23  148.479  1491.04  218.757  1291.14  202.183  336.603   26.232  313.193   26.089 23.41040 36.99654 
1 1 1  -10   -6   28 o  100.976   19.297  134.917   46.884  166.370   95.320  124.879   53.848  109.836   32.481   96.308   22.752 13.52866 39.65729 
1 1 1  -10   -6   29 o  290.784   17.710  1086.84  127.984  1061.75  196.495  1105.32  168.669  281.251   28.365  290.163   23.479 -8.911896 36.82153 
1 1 1  -10   -6   30 o  283.784   17.469  1037.98  123.197  1051.88  191.128  1028.09  161.139  279.201   27.782  279.055   23.338 0.1460571 36.28367 
1 1 1  -10   -6   31 o  148.583   17.171  288.054   62.539  194.231  116.616  325.930   74.094  115.413   36.291  157.330   19.261 -41.91709 41.08573 
1 1 1  -10   -6   32 o  210.833   20.767  591.484  107.919   0.0000   0.0000  591.484  107.919  ?   ?   210.833   20.767 0.000000 20.76747 
1 1 1  -10   -6   33 o  233.216   16.569  711.997   95.868  825.213  165.112  654.419  117.749  241.481   27.894  219.956   21.721 21.52519 35.35361 
1 1 1  -10   -6   34 o   48.259   18.865   21.203   32.949 -54.7147  109.949   28.693   34.537   62.608   29.108   51.866   19.557 10.74216 35.06763 
1 1 1  -10   -6   35 o  120.309   17.960  197.110   52.306  327.652  132.664  173.081   56.917  138.633   37.441  110.764   21.352 27.86904 43.10122 
1 1 1  -10   -6   36 o  205.416   17.999  574.088   91.395  501.978  168.694  604.048  108.735  165.332   41.049  207.433   21.294 -42.10069 46.24287 
1 1 1  -10   -6   37 o   85.687   20.947  106.742   44.444   45.795  141.504  113.412   46.813   77.886   34.970   88.088   21.476 -10.20110 41.03799 
1 1 1  -10   -6   38 o  130.543   19.410  241.970   61.348   96.321  163.010  266.003   66.216   84.000   37.637  136.447   20.030 -52.44736 42.63464 
1 1 1  -10   -6   39 o  139.221   20.695  283.690   69.759   0.0000   0.0000  283.690   69.759  ?   ?   139.221   20.695 0.000000 20.69483 
1 1 1  -10   -6   40 o   97.521   21.731  146.491   51.568   0.0000   0.0000  146.491   51.568  ?   ?    97.521   21.731 0.000000 21.73124 
1 1 1  -10   -5    1 o  1257.00   38.033 20115.67  1193.83 19987.94  1688.15 20243.45  1688.52  1240.50   54.496  1248.71   54.150 -8.210327 76.82446 
1 1 1  -10   -5    2 o  830.298   25.243  8681.33  523.386  8692.37  740.187  8670.29  740.173  827.276   35.829  826.207   35.875 1.069092 50.70282 
1 1 1  -10   -5    3 o  479.207   15.482  2876.35  185.264  2923.91  262.063  2828.83  261.942  482.411   21.754  474.455   22.108 7.956268 31.01643 
1 1 1  -10   -5    4 o  249.276   10.088  776.885   62.796  793.057   88.903  760.784   88.711  251.293   14.226  246.081   14.500 5.212402 20.31313 
1 1 1  -10   -5    5 o  869.390   30.821  9553.36  669.124  9357.46  1159.01  9651.29  819.487  847.661   55.052  871.228   37.667 -23.56689 66.70468 
1 1 1  -10   -5    6 o  754.533   26.485  7172.53  499.034  7773.36  865.928  6873.75  610.635  777.891   44.766  736.776   33.189 41.11493 55.72715 
1 1 1  -10   -5    7 o  691.227   30.603  6037.80  528.238  6033.51  747.727  6042.07  746.357  685.366   43.920  685.906   43.803 -0.5404663 62.02956 
1 1 1  -10   -5    8 o  436.390   16.596  2386.33  180.852  2155.04  313.361  2501.84  221.457  411.821   30.691  446.481   19.863 -34.65973 36.55787 
1 1 1  -10   -5    9 f  268.309   12.340  900.691   82.682  908.082  144.465  897.091  100.830  267.963   21.778  267.206   15.174 0.7575073 26.54244 
1 1 1  -10   -5   10 o  795.883   27.218  7990.75  540.955  9129.28  940.204  7427.34  661.394  842.235   44.865  764.896   34.626 77.33972 56.67315 
1 1 1  -10   -5   11 o  546.998   20.279  3758.57  277.007  3591.21  480.594  3841.84  338.979  529.914   36.541  552.241   24.581 -22.32764 44.03954 
1 1 1  -10   -5   12 o  427.504   16.551  2291.93  176.695  1931.06  306.542  2471.49  216.232  388.889   31.845  443.557   19.522 -54.66733 37.35220 
1 1 1  -10   -5   13 o  375.979   18.614  1775.87  174.762  1844.22  248.680  1709.17  245.648  381.118   26.290  366.657   27.019 14.46127 37.69907 
1 1 1  -10   -5   14 o  386.564   27.348  1902.98  262.296   0.0000   0.0000  1902.98  262.296  ?   ?   386.564   27.348 0.000000 27.34836 
1 1 1  -10   -5   15 f  100.247   15.604  129.130   37.791  122.715   57.014  134.158   50.471   96.619   23.789  101.362   20.641 -4.743240 31.49526 
1 1 1  -10   -5   16 o  227.145   14.585  650.468   82.289  640.162  118.399  660.097  114.451  224.085   21.420  227.807   20.332 -3.722107 29.53310 
1 1 1  -10   -5   17 o  283.368   15.940  1013.52  112.334  1042.25  161.087  986.322  156.731  285.794   22.760  277.969   22.779 7.824768 32.20116 
1 1 1  -10   -5   18 o  365.525   18.577  1692.86  169.012  1728.44  241.094  1658.48  236.997  366.629   26.512  359.050   26.622 7.578278 37.57180 
1 1 1  -10   -5   19 o  258.254   22.623  856.157  144.424  856.157  144.424   0.0000   0.0000  258.254   22.623  ?   ?  0.000000 22.62257 
1 1 1  -10   -5   20 o  506.471   23.948  3286.98  302.881  3264.25  430.350  3309.28  426.353  496.591   34.926  500.501   34.320 -3.909973 48.96585 
1 1 1  -10   -5   21 f  142.169   14.863  257.845   51.987  240.573   79.955  270.494   68.425  134.828   24.656  144.600   19.442 -9.772186 31.39921 
1 1 1  -10   -5   22 o  507.722   35.832  3453.59  451.385  3453.59  451.385   0.0000   0.0000  507.722   35.832  ?   ?  0.000000 35.83163 
1 1 1  -10   -5   23 o  173.245   14.730  381.977   63.122  408.810   97.501  362.617   82.820  177.118   22.556  167.363   20.227 9.754303 30.29690 
1 1 1  -10   -5   24 o  474.038   33.413  3002.57  392.994   0.0000   0.0000  3002.57  392.994  ?   ?   474.038   33.413 0.000000 33.41265 
1 1 1  -10   -5   25 o  346.240   18.272  1531.43  157.429  1609.18  229.416  1462.22  216.427  350.729   26.387  334.402   26.125 16.32715 37.13222 
1 1 1  -10   -5   26 o  292.082   17.170  1088.68  124.686  1056.03  184.857  1115.93  168.888  283.541   26.412  293.131   23.263 -9.589996 35.19603 
1 1 1  -10   -5   27 o  449.780   21.760  2605.64  244.406  2771.35  353.493  2453.87  338.291  455.659   31.255  428.119   31.871 27.54028 44.63927 
1 1 1  -10   -5   28 o  266.127   16.715  905.069  110.518  893.733  166.412  914.015  147.825  260.323   25.945  264.988   22.554 -4.664917 34.37731 
1 1 1  -10   -5   29 o  151.845   16.397  296.949   61.188  296.127  108.807  297.330   73.998  146.499   30.723  150.800   20.155 -4.300171 36.74405 
1 1 1  -10   -5   30 o  380.893   19.660  1875.13  186.356  2027.10  276.341  1748.37  252.380  388.800   28.664  361.372   28.190 27.42746 40.20363 
1 1 1  -10   -5   31 o  279.908   17.176  1009.86  119.479  1090.35  188.251  955.560  154.610  284.705   26.794  268.784   23.264 15.92099 35.48405 
1 1 1  -10   -5   32 o  110.317   18.865  162.107   50.101  149.221  109.660  165.506   56.323  103.214   35.341  110.679   21.150 -7.464729 41.18643 
1 1 1  -10   -5   33 o  407.090   31.584  2365.78  318.562   0.0000   0.0000  2365.78  318.562  ?   ?   407.090   31.584 0.000000 31.58387 
1 1 1  -10   -5   34 o  113.015   19.052  172.919   51.856   91.638  117.823  192.447   57.750   88.056   35.272  118.827   20.184 -30.77139 40.63912 
1 1 1  -10   -5   35 o  169.313   17.356  382.709   72.345  351.434  143.141  393.439   83.842  144.409   38.845  169.832   20.163 -25.42375 43.76655 
1 1 1  -10   -5   36 o   35.812   16.151 -12.1720   30.569 -22.6928  117.840 -11.4130   31.652   67.289   30.870   36.705   16.505 30.58363 35.00550 
1 1 1  -10   -5   37 o  167.840   17.989  384.698   74.224  409.331  160.481  377.995   83.716  146.468   41.811  163.979   20.921 -17.51085 46.75294 
1 1 1  -10   -5   38 o  130.813   19.100  239.695   60.552  136.550  153.624  258.667   65.886   90.918   38.672  135.183   20.132 -44.26435 43.59809 
1 1 1  -10   -5   39 o  104.805   21.021  160.915   53.100  -0.0904  165.687  179.344   56.057   74.026   34.839  110.781   21.033 -36.75571 40.69567 
1 1 1  -10   -5   40 o  171.699   21.098  434.015   88.558   0.0000   0.0000  434.015   88.558  ?   ?   171.699   21.098 0.000000 21.09820 
1 1 1  -10   -4    1 o  443.423   14.699  2462.31  162.759  2472.81  230.161  2451.82  230.191  443.714   20.772  441.815   20.864 1.898926 29.44112 
1 1 1  -10   -4    2 o  337.156   12.050  1422.12  101.453  1395.42  143.357  1448.92  143.597  333.187   17.289  339.995   16.913 -6.807861 24.18612 
1 1 1  -10   -4    3 o  200.975   8.8953  504.851   44.643  535.312   63.145  474.410   63.124  206.485   12.302  194.265   13.088 12.21996 17.96231 
1 1 1  -10   -4    4 o  114.051   8.5727  163.486   24.237  160.484   34.345  166.463   34.208  112.578   12.424  114.717   12.125 -2.139664 17.35987 
1 1 1  -10   -4    5 o  537.911   16.833  3626.01  226.109  3666.97  319.820  3585.08  319.715  539.971   23.718  533.865   23.982 6.105896 33.72953 
1 1 1  -10   -4    6 o  459.087   14.901  2639.03  170.834  2704.96  241.796  2573.31  241.396  464.156   20.861  452.659   21.355 11.49664 29.85353 
1 1 1  -10   -4    7 o  483.303   16.863  2927.03  203.520  3393.90  354.129  2696.78  248.693  518.175   27.465  463.384   21.492 54.79132 34.87475 
1 1 1  -10   -4    8 o  400.012   19.394  2007.47  193.726  1772.59  274.269  2241.34  273.672  373.557   29.645  421.056   26.157 -47.49902 39.53518 
1 1 1  -10   -4    9 o  529.678   19.685  3520.69  260.370  3268.51  451.148  3646.63  318.825  506.201   35.923  538.460   23.711 -32.25940 43.04282 
1 1 1  -10   -4   10 o  299.702   13.127  1124.09   98.244  1017.89  170.972  1176.44  120.041  283.371   24.399  306.045   15.761 -22.67395 29.04683 
1 1 1  -10   -4   11 o  321.007   12.739  1289.55  102.119  1522.06  179.488  1178.25  124.176  347.484   20.780  306.192   16.299 41.29224 26.40953 
1 1 1  -10   -4   12 o  324.200   13.773  1316.06  111.503  1120.77  194.087  1412.27  136.227  296.915   26.454  335.654   16.253 -38.73929 31.04742 
1 1 1  -10   -4   13 o  685.993   24.771  5934.49  424.338  6113.94  736.555  5845.33  519.150  688.202   43.076  679.049   30.616 9.153564 52.84710 
1 1 1  -10   -4   14 o  113.826   20.152  167.735   55.186   0.0000   0.0000  167.735   55.186  ?   ?   113.826   20.152 0.000000 20.15249 
1 1 1  -10   -4   15 o  464.241   31.499  2758.50  363.010   0.0000   0.0000  2758.50  363.010  ?   ?   464.241   31.499 0.000000 31.49942 
1 1 1  -10   -4   16 o  450.703   21.375  2564.02  240.575  2643.24  341.629  2486.10  338.837  454.204   30.294  440.163   31.025 14.04050 43.36211 
1 1 1  -10   -4   17 o  433.453   20.901  2374.21  226.232  2348.73  321.030  2399.36  318.862  427.342   30.279  432.169   29.727 -4.827362 42.43225 
1 1 1  -10   -4   18 o  322.553   17.283  1315.08  138.704  1263.73  197.582  1364.98  194.762  313.948   25.420  326.800   24.034 -12.85175 34.98337 
1 1 1  -10   -4   19 o  302.353   16.450  1156.15  123.733  1249.91  177.736  1067.97  172.357  312.582   22.930  288.425   24.153 24.15747 33.30350 
1 1 1  -10   -4   20 o  314.255   24.885  1272.39  193.687  1272.39  193.687   0.0000   0.0000  314.255   24.885  ?   ?  0.000000 24.88478 
1 1 1  -10   -4   21 o  218.920   20.604  615.329  111.312   0.0000   0.0000  615.329  111.312  ?   ?   218.920   20.604 0.000000 20.60379 
1 1 1  -10   -4   22 o  174.492   14.665  386.929   63.308  375.474   94.520  396.248   85.257  169.770   22.878  175.358   19.817 -5.587738 30.26734 
1 1 1  -10   -4   23 o  143.535   14.928  263.022   52.725  281.699   82.728  250.245   68.422  146.400   23.418  138.660   20.367 7.739761 31.03592 
1 1 1  -10   -4   24 o  196.000   14.745  488.179   71.641  493.532  109.870  484.219   94.492  194.686   23.046  193.857   19.797 0.8289642 30.38191 
1 1 1  -10   -4   25 o  290.800   23.305  1095.79  167.816   0.0000   0.0000  1095.79  167.816  ?   ?   290.800   23.305 0.000000 23.30524 
1 1 1  -10   -4   26 o  380.284   19.421  1851.48  183.819  1927.38  265.856  1781.95  254.438  383.009   27.990  368.286   27.872 14.72256 39.50085 
1 1 1  -10   -4   27 o  221.208   15.756  623.547   86.469  573.826  131.723  661.198  114.625  208.637   25.835  226.276   20.509 -17.63812 32.98543 
1 1 1  -10   -4   28 o  336.575   18.204  1449.59  152.434  1522.31  224.722  1387.62  207.459  340.313   26.657  325.379   25.743 14.93341 37.05743 
1 1 1  -10   -4   29 o  159.460   16.481  326.820   64.679  274.990  107.515  356.214   80.969  141.142   31.323  165.481   19.999 -24.33904 37.16288 
1 1 1  -10   -4   30 o  408.301   20.813  2156.23  211.510  2248.10  309.632  2075.85  289.612  408.933   30.541  393.664   29.679 15.26910 42.58641 
1 1 1  -10   -4   31 o  101.613   19.754  137.460   48.321  192.451  104.031  122.332   54.564  116.724   33.768   94.964   23.206 21.76030 40.97268 
1 1 1  -10   -4   32 o   66.358   21.549   56.422   40.863   76.825   98.361   52.166   44.923   84.773   32.745   65.424   22.609 19.34922 39.79246 
1 1 1  -10   -4   33 o  384.818   20.171  1945.97  193.161  2132.75  290.310  1797.60  258.749  391.517   29.920  360.442   28.992 31.07471 41.66238 
1 1 1  -10   -4   34 o  347.614   27.760  1687.18  238.963   0.0000   0.0000  1687.18  238.963  ?   ?   347.614   27.760 0.000000 27.76005 
1 1 1  -10   -4   35 o  101.058   19.789  140.189   48.152  153.365  118.330  137.575   52.714  100.765   36.513   99.198   21.869 1.566544 42.56125 
1 1 1  -10   -4   36 o   55.943   20.545   36.731   37.642 -157.4655  119.895   57.966   39.647   55.399   26.976   65.352   21.226 -9.952660 34.32592 
1 1 1  -10   -4   37 o   59.851   20.728   46.884   37.769  171.463  132.077   35.789   39.415  100.545   38.165   55.729   20.917 44.81559 43.52060 
1 1 1  -10   -4   38 o   67.974   22.057   65.431   42.813 -24.5513  136.717   75.214   45.080   69.965   32.505   72.176   22.542 -2.211365 39.55677 
1 1 1  -10   -4   39 o   96.636   20.586  135.041   48.157  181.031  156.165  130.208   50.624   97.183   39.981   93.994   21.963 3.188904 45.61686 
1 1 1  -10   -4   40 o   93.241   21.543  129.585   49.151   28.763  167.413  139.095   51.417   76.293   35.619   96.474   21.850 -20.18140 41.78693 
1 1 1  -10   -4   41 o  188.501   21.919  531.400  101.250   0.0000   0.0000  531.400  101.250  ?   ?   188.501   21.919 0.000000 21.91879 
1 1 1  -10   -3    1 o  103.745   8.4598  135.411   21.726  136.745   30.637  134.062   30.814  103.856   12.036  102.790   12.245 1.065315 17.17041 
1 1 1  -10   -3    2 o  560.528   17.844  3940.04  249.770  3918.58  353.191  3961.50  353.264  557.770   25.357  560.842   25.224 -3.071411 35.76629 
1 1 1  -10   -3    3 o  410.878   13.755  2113.25  141.131  2132.65  199.553  2093.83  199.625  412.245   19.384  408.456   19.571 3.788971 27.54613 
1 1 1  -10   -3    4 o  452.437   14.479  2562.95  163.591  2514.93  231.283  2611.02  231.423  447.534   20.695  456.050   20.321 -8.515869 29.00387 
1 1 1  -10   -3    5 o  704.237   21.852  6230.63  384.292  6271.87  543.541  6189.40  543.402  704.408   30.900  699.706   31.100 4.701782 43.84051 
1 1 1  -10   -3    6 o  267.632   10.539  895.593   70.436  899.170   99.608  892.015   99.614  267.558   14.968  266.481   15.031 1.077209 21.21253 
1 1 1  -10   -3    7 o  1289.77   39.133 21172.54  1260.40 21309.94  1782.61 21035.18  1782.32  1281.52   55.703  1272.92   56.071 8.606445 79.03654 
1 1 1  -10   -3    8 o  532.692   23.492  3567.68  312.497  4029.26  443.705  3113.38  440.191  563.665   31.651  494.104   35.921 69.56030 47.87606 
1 1 1  -10   -3    9 o  476.335   22.181  2850.73  263.841  2771.62  373.808  2929.27  372.450  466.999   32.252  480.416   31.215 -13.41699 44.88364 
1 1 1  -10   -3   10 o  703.156   25.323  6224.82  444.658  6074.40  770.482  6299.94  544.482  687.089   45.157  705.965   30.885 -18.87659 54.70866 
1 1 1  -10   -3   11 o  1000.14   35.380 12699.91  883.633 12800.96  1531.39 12649.47  1081.91  985.231   62.568  993.896   43.591 -8.664490 76.25613 
1 1 1  -10   -3   12 o  214.106   10.791  574.768   57.512  682.928  102.764  525.441   69.398  232.674   17.822  204.415   13.674 28.25914 22.46337 
1 1 1  -10   -3   13 o  535.693   19.906  3604.74  266.282  3701.33  462.633  3556.88  325.629  538.515   34.585  531.294   24.544 7.220825 42.40907 
1 1 1  -10   -3   14 o  511.823   19.226  3291.25  245.734  3331.63  427.190  3271.27  300.413  510.642   33.690  509.465   23.613 1.176636 41.14116 
1 1 1  -10   -3   15 o  165.574   19.235  349.258   78.047   0.0000   0.0000  349.258   78.047  ?   ?   165.574   19.235 0.000000 19.23458 
1 1 1  -10   -3   16 o  376.729   15.333  1781.17  144.249  1459.97  251.205  1939.19  176.195  337.355   30.136  392.711   17.967 -55.35529 35.08535 
1 1 1  -10   -3   17 o  247.322   12.336  766.665   76.186  649.753  134.777  821.565   92.357  225.192   24.355  255.428   14.540 -30.23540 28.36474 
1 1 1  -10   -3   18 o  398.092   14.937  1991.54  148.488  2267.35  261.127  1859.73  180.515  421.661   24.910  383.966   18.826 37.69467 31.22391 
1 1 1  -10   -3   19 o  519.678   24.235  3438.63  314.500  3470.13  446.294  3407.55  443.263  515.716   34.859  510.971   34.949 4.745178 49.36158 
1 1 1  -10   -3   20 f  259.016   21.868  858.837  140.120   0.0000   0.0000  858.837  140.120  ?   ?   259.016   21.868 0.000000 21.86777 
1 1 1  -10   -3   21 o  294.688   24.113  1118.54  175.889  1118.54  175.889   0.0000   0.0000  294.688   24.113  ?   ?  0.000000 24.11271 
1 1 1  -10   -3   22 o  145.524   14.581  269.693   52.275  290.212   79.765  254.245   69.210  149.235   22.069  139.933   20.407 9.301331 30.05814 
1 1 1  -10   -3   23 o  220.847   15.064  618.804   82.583  581.320  122.113  650.399  112.109  211.614   23.505  225.060   20.161 -13.44618 30.96737 
1 1 1  -10   -3   24 f  343.176   18.340  1501.16  156.596  1462.73  225.657  1536.86  217.490  334.665   27.238  344.009   25.499 -9.344391 37.31076 
1 1 1  -10   -3   25 o  166.957   14.380  354.607   59.368  403.406   92.844  320.852   77.217  176.251   21.543  157.331   20.114 18.92000 29.47355 
1 1 1  -10   -3   26 o  223.947   20.816  647.100  115.080   0.0000   0.0000  647.100  115.080  ?   ?   223.947   20.816 0.000000 20.81637 
1 1 1  -10   -3   27 o  323.622   17.752  1336.35  142.918  1367.14  208.856  1309.24  195.990  323.391   26.084  317.027   24.958 6.363495 36.10128 
1 1 1  -10   -3   28 f  178.542   15.404  406.842   68.005  383.779  108.393  421.813   87.332  169.876   26.409  180.613   19.682 -10.73759 32.93665 
1 1 1  -10   -3   29 o  128.473   16.864  213.369   52.796  234.902   93.004  203.130   64.132  131.161   29.151  124.029   21.484 7.132416 36.21291 
1 1 1  -10   -3   30 o  340.222   18.612  1485.25  157.531  1559.69  231.532  1421.09  214.954  343.518   27.213  328.325   26.442 15.19287 37.94365 
1 1 1  -10   -3   31 o  435.603   21.914  2465.22  237.617  2550.07  345.624  2389.17  327.214  433.528   32.155  420.345   31.399 13.18228 44.94262 
1 1 1  -10   -3   32 o   98.366   20.755  129.880   49.379 -58.5602  100.692  189.546   56.659   61.881   28.443  119.719   19.633 -57.83737 34.56125 
1 1 1  -10   -3   33 o  246.466   17.429  787.075  106.578  712.258  170.320  835.225  136.635  225.855   31.017  251.282   21.996 -25.42671 38.02512 
1 1 1  -10   -3   34 o  405.108   21.540  2178.27  217.120  2249.19  322.961  2119.79  293.289  396.473   32.918  388.348   30.488 8.124786 44.86760 
1 1 1  -10   -3   35 o   64.205   22.117   52.269   42.971   0.0000   0.0000   52.269   42.971  ?   ?    64.205   22.117 0.000000 22.11673 
1 1 1  -10   -3   36 o   90.763   20.948  115.121   46.516  166.562  123.969  106.692   50.182  103.205   37.377   86.706   22.854 16.49911 43.81004 
1 1 1  -10   -3   37 o  141.703   17.867  271.356   61.817  302.489  138.753  263.647   69.048  131.628   39.250  137.940   20.683 -6.311920 44.36619 
1 1 1  -10   -3   38 o   79.292   21.953   90.747   44.952 -56.0126  134.297  109.264   47.704   67.055   31.497   86.955   21.963 -19.89912 38.39855 
1 1 1  -10   -3   39 o   77.105   22.168   86.905   44.961  183.132  147.205   77.005   47.217   99.897   39.618   72.790   23.116 27.10760 45.86904 
1 1 1  -10   -3   40 o  122.572   19.498  212.965   57.682  299.098  168.755  201.570   61.379  115.403   43.287  117.573   21.705 -2.170326 48.42367 
1 1 1  -10   -3   41 o  219.640   18.697  680.592  101.576  887.216  220.469  624.914  114.446  203.847   44.554  204.989   22.741 -1.141266 50.02202 
1 1 1  -10   -2    1 o  526.542   16.700  3475.02  219.580  3380.41  310.366  3569.82  310.699  518.271   23.981  532.700   23.356 -14.42975 33.47552 
1 1 1  -10   -2    2 o  500.256   16.180  3135.87  202.120  3065.46  285.660  3206.46  286.022  493.684   23.171  504.987   22.681 -11.30353 32.42452 
1 1 1  -10   -2    3 o  247.950   8.8065  768.427   54.528  725.816   76.933  811.443   77.297  240.494   12.857  254.675   12.154 -14.18121 17.69238 
1 1 1  -10   -2    4 o  245.560   10.023  753.897   61.461  766.060   86.922  741.737   86.915  246.968   14.153  242.978   14.389 3.989975 20.18269 
1 1 1  -10   -2    5 f  279.504   10.624  976.863   74.154  1003.32  104.966  950.505  104.773  282.672   14.923  275.068   15.314 7.603821 21.38254 
1 1 1  -10   -2    6 o  562.769   17.877  3970.52  251.231  4025.53  355.353  3915.55  355.235  565.529   25.163  557.688   25.508 7.840942 35.83025 
1 1 1  -10   -2    7 o  286.069   10.757  1023.28   76.848  1050.21  108.836  996.511  108.523  289.211   15.122  281.659   15.489 7.551849 21.64684 
1 1 1  -10   -2    8 o  476.101   15.573  2838.79  185.147  2854.01  261.880  2823.58  261.794  476.659   22.001  474.097   22.113 2.562225 31.19327 
1 1 1  -10   -2    9 o  748.498   32.028  7085.19  598.641  7931.36  848.813  6247.77  844.415  786.672   43.376  695.452   48.934 91.21973 65.39153 
1 1 1  -10   -2   10 o  561.197   20.563  3953.49  288.173  4181.60  500.228  3840.18  352.552  573.207   35.116  552.291   25.563 20.91522 43.43470 
1 1 1  -10   -2   11 o  574.801   21.144  4149.40  303.501  4102.67  526.396  4172.66  371.459  566.900   37.394  575.585   25.843 -8.685120 45.45537 
1 1 1  -10   -2   12 o  258.941   11.208  838.622   72.474  1056.56  128.236  736.345   87.849  289.728   17.811  242.057   14.602 47.67137 23.03105 
1 1 1  -10   -2   13 o  206.471   11.206  534.813   57.560  552.362  102.242  526.671   69.645  208.807   19.847  204.645   13.707 4.161972 24.12012 
1 1 1  -10   -2   14 o  465.405   17.922  2718.21  208.284  2536.59  361.646  2808.34  254.783  445.835   32.711  472.520   21.592 -26.68433 39.19532 
1 1 1  -10   -2   15 o  456.571   17.595  2617.06  200.605  2625.25  349.237  2613.02  245.068  453.684   31.012  455.600   21.540 -1.916107 37.75868 
1 1 1  -10   -2   16 o  437.539   30.066  2444.71  326.515   0.0000   0.0000  2444.71  326.515  ?   ?   437.539   30.066 0.000000 30.06624 
1 1 1  -10   -2   17 f  184.642   10.919  428.335   50.122  477.101   92.102  407.816   59.743  193.710   19.297  179.862   13.397 13.84854 23.49158 
1 1 1  -10   -2   18 o  314.446   13.551  1240.61  106.406  1277.46  187.867  1223.20  129.111  316.590   23.940  311.409   16.663 5.180603 29.16832 
1 1 1  -10   -2   19 o  402.958   15.488  2042.39  155.849  2217.73  273.433  1958.01  189.675  416.203   26.446  393.752   19.290 22.45102 32.73361 
1 1 1  -10   -2   20 o  389.735   15.747  1913.27  153.253  1945.48  269.215  1897.82  186.403  388.453   27.940  387.317   19.272 1.136963 33.94179 
1 1 1  -10   -2   21 o  409.532   16.346  2116.74  167.164  2167.19  293.220  2092.45  203.467  408.842   28.907  406.076   20.065 2.766327 35.18785 
1 1 1  -10   -2   22 o  236.689   22.368  721.130  130.639  721.130  130.639   0.0000   0.0000  236.689   22.368  ?   ?  0.000000 22.36774 
1 1 1  -10   -2   23 o  231.173   14.938  677.232   85.775  688.187  125.437  667.610  117.555  231.086   22.003  227.927   20.886 3.158768 30.33703 
1 1 1  -10   -2   24 o  439.011   21.483  2463.78  235.522  2441.81  335.884  2485.03  330.341  430.382   31.471  434.799   30.620 -4.417084 43.90891 
1 1 1  -10   -2   25 o  363.343   18.736  1683.87  169.417  1747.77  243.734  1624.15  235.654  366.198   26.840  352.887   26.945 13.31085 38.03227 
1 1 1  -10   -2   26 f  118.689   15.928  181.436   46.016  173.260   75.445  186.279   58.068  113.329   27.037  119.241   20.224 -5.911980 33.76364 
1 1 1  -10   -2   27 o  273.323   22.742  966.760  153.811   0.0000   0.0000  966.760  153.811  ?   ?   273.323   22.742 0.000000 22.74157 
1 1 1  -10   -2   28 o  214.809   15.337  587.163   81.728  637.300  125.383  550.124  107.768  221.327   23.023  206.109   21.243 15.21799 31.32580 
1 1 1  -10   -2   29 o  191.260   15.414  466.493   72.995  532.512  117.403  424.890   93.199  201.688   23.767  180.833   21.032 20.85544 31.73603 
1 1 1  -10   -2   30 o  292.204   17.576  1091.99  127.656  1047.17  191.141  1128.08  171.516  281.338   27.561  294.290   23.536 -12.95218 36.24240 
1 1 1  -10   -2   31 o  176.504   28.348  420.286  120.717  420.286  120.717   0.0000   0.0000  176.504   28.348  ?   ?  0.000000 28.34777 
1 1 1  -10   -2   32 o  350.676   18.999  1585.66  165.756  1678.09  247.029  1509.96  223.553  354.222   28.159  336.979   26.787 17.24258 38.86503 
1 1 1  -10   -2   33 o  173.379   16.575  388.582   70.887  424.955  127.689  372.379   85.226  174.927   30.331  168.101   20.742 6.825562 36.74498 
1 1 1  -10   -2   34 o  228.122   17.105  675.272   96.729  649.417  159.252  690.387  121.763  215.278   30.475  228.148   21.631 -12.87025 37.37106 
1 1 1  -10   -2   35 o   79.948   21.886   87.969   44.972   19.562  110.833  101.452   49.204   74.973   32.382   85.572   22.666 -10.59962 39.52661 
1 1 1  -10   -2   36 o   97.421   22.562  133.000   53.809   0.0000   0.0000  133.000   53.809  ?   ?    97.421   22.562 0.000000 22.56214 
1 1 1  -10   -2   37 o  136.964   17.817  252.181   59.495  371.240  134.464  223.199   66.342  151.896   35.999  126.591   21.771 25.30440 42.07069 
1 1 1  -10   -2   38 o   58.308   20.805   42.606   38.251  105.375  125.423   36.169   40.165   88.323   36.024   56.254   21.114 32.06881 41.75609 
1 1 1  -10   -2   39 o  114.259   19.562  182.195   53.807  315.889  148.900  162.115   57.707  129.249   41.050  105.884   22.517 23.36501 46.82071 
1 1 1  -10   -2   40 o  113.694   20.451  184.082   55.928  257.467  154.178  172.962   60.016  112.546   41.540  108.492   22.873 4.054436 47.42048 
1 1 1  -10   -2   41 o  105.803   22.129  165.787   56.586   0.0000   0.0000  165.787   56.586  ?   ?   105.803   22.129 0.000000 22.12874 
1 1 1  -10   -2   42 o  231.551   19.279  765.399  110.465  947.864  233.024  712.509  125.458  204.189   46.713  216.972   23.532 -12.78259 52.30538 
1 1 1  -10   -1    1 o  267.563   10.462  895.203   69.900  909.007   98.855  881.398   98.853  269.016   14.772  264.861   15.008 4.154480 21.05789 
1 1 1  -10   -1    2 o  514.977   16.476  3323.52  211.887  3383.09  299.705  3263.99  299.601  518.645   23.141  509.367   23.554 9.277802 33.01921 
1 1 1  -10   -1    3 o  788.789   24.091  7829.18  474.523  7909.06  671.119  7749.33  671.036  789.766   34.029  781.627   34.379 8.139526 48.37260 
1 1 1  -10   -1    4 o  644.124   20.175  5208.24  324.521  5163.91  458.871  5252.60  459.013  639.620   28.729  645.147   28.492 -5.526855 40.46124 
1 1 1  -10   -1    5 o  219.718   8.5926  603.347   47.146  582.722   66.600  624.064   66.748  215.460   12.431  223.033   12.029 -7.572693 17.29813 
1 1 1  -10   -1    6 o  471.328   15.273  2781.98  179.766  2956.11  254.493  2608.57  253.964  485.216   21.003  455.638   22.320 29.57834 30.64865 
1 1 1  -10   -1    7 o  257.795   9.7996  830.795   63.086  841.999   89.323  819.644   89.111  259.004   13.861  255.516   14.019 3.487686 19.71444 
1 1 1  -10   -1    8 o  1018.33   30.760 13099.99  782.210 13163.53  1106.26 13036.46  1106.17  1014.83   43.653  1009.81   43.866 5.024353 61.88537 
1 1 1  -10   -1    9 o  300.534   16.040  1134.53  119.940  1103.84  170.646  1164.49  168.615  295.436   23.320  303.636   22.396 -8.200409 32.33255 
1 1 1  -10   -1   10 o  720.409   31.825  6562.22  572.524  6352.07  809.959  6772.08  809.385  702.428   46.437  726.090   44.859 -23.66211 64.56571 
1 1 1  -10   -1   11 o  386.073   14.858  1866.31  143.246  2099.06  249.733  1752.18  174.874  407.708   24.645  373.297   18.820 34.41138 31.00892 
1 1 1  -10   -1   12 o  316.311   11.823  1251.57   93.391  1639.71  164.773  1067.86  113.357  361.125   18.332  291.561   15.626 69.56360 24.08793 
1 1 1  -10   -1   13 o  578.975   21.346  4212.08  308.629  4163.27  535.380  4236.38  377.702  570.598   37.787  579.737   26.090 -9.138733 45.91900 
1 1 1  -10   -1   14 o  424.232   16.679  2256.54  176.692  2074.92  307.029  2346.48  216.055  403.682   30.687  432.206   20.018 -28.52432 36.63891 
1 1 1  -10   -1   15 o  482.120   18.258  2918.33  219.814  2472.94  380.910  3140.71  269.152  439.265   35.016  499.605   21.573 -60.34030 41.12836 
1 1 1  -10   -1   16 o  1105.25   39.419 15700.28  1087.97 15381.09  1884.95 15859.74  1332.30  1057.86   71.779  1102.92   48.374 -45.06165 86.55779 
1 1 1  -10   -1   17 o  443.707   30.445  2518.24  335.298   0.0000   0.0000  2518.24  335.298  ?   ?   443.707   30.445 0.000000 30.44525 
1 1 1  -10   -1   18 o  342.722   14.422  1474.12  123.426  1455.67  216.380  1483.02  150.270  337.725   25.853  342.884   17.609 -5.159332 31.28064 
1 1 1  -10   -1   19 o  319.699   17.053  1290.30  135.650   0.0000   0.0000  1290.30  135.650  ?   ?   319.699   17.053 0.000000 17.05288 
1 1 1  -10   -1   20 o  132.542   22.475  228.857   71.729  228.857   71.729   0.0000   0.0000  132.542   22.475  ?   ?  0.000000 22.47452 
1 1 1  -10   -1   21 o  182.154   11.157  417.772   50.504  418.697   94.862  417.406   59.662  180.350   21.486  181.766   13.235 -1.416595 25.23545 
1 1 1  -10   -1   22 o  500.935   18.489  3178.62  231.284  3245.93  403.647  3145.72  282.204  497.808   32.651  496.509   22.761 1.298950 39.80155 
1 1 1  -10   -1   23 o  281.503   15.704  1003.77  109.953  1058.12  161.233  956.524  150.333  286.865   22.693  272.813   22.261 14.05148 31.78838 
1 1 1  -10   -1   24 o  190.695   11.138  458.365   52.808  547.388  102.242  425.975   61.671  206.411   20.090  183.384   13.563 23.02647 24.23995 
1 1 1  -10   -1   25 o  544.993   20.889  3792.87  284.283  3523.98  495.986  3924.42  346.924  510.034   39.243  551.588   25.187 -41.55392 46.63050 
1 1 1  -10   -1   26 o  272.688   15.992  944.430  108.423  1028.32  159.380  872.167  147.925  282.174   22.814  259.638   23.055 22.53668 32.43456 
1 1 1  -10   -1   27 o  207.333   15.138  546.413   77.836  545.540  118.141  547.082  103.466  204.646   23.547  205.998   20.381 -1.352402 31.14222 
1 1 1  -10   -1   28 f  407.908   29.520  2192.22  298.666   0.0000   0.0000  2192.22  298.666  ?   ?   407.908   29.520 0.000000 29.52010 
1 1 1  -10   -1   29 o  230.864   15.763  678.508   90.332  714.878  138.185  651.368  119.369  234.134   23.972  224.307   21.577 9.827072 32.25272 
1 1 1  -10   -1   30 o  273.661   16.920  955.690  115.060  952.301  172.706  958.394  154.286  269.297   26.005  271.621   22.962 -2.323792 34.69170 
1 1 1  -10   -1   31 o  187.018   16.322  447.898   75.465  386.038  121.539  486.711   96.271  168.610   29.964  193.773   20.192 -25.16365 36.13206 
1 1 1  -10   -1   32 o  195.950   27.406  514.831  130.434  514.831  130.434   0.0000   0.0000  195.950   27.406  ?   ?  0.000000 27.40597 
1 1 1  -10   -1   33 o  252.924   16.742  821.734  105.141  908.475  166.382  764.067  135.661  261.113   25.857  240.985   22.815 20.12779 34.48308 
1 1 1  -10   -1   34 o  398.929   21.071  2084.51  209.169  2146.24  309.498  2032.60  283.789  393.407   31.775  385.173   29.735 8.233704 43.51799 
1 1 1  -10   -1   35 o  288.792   18.200  1088.31  130.583  1084.86  204.263  1090.70  169.816  278.571   29.827  284.551   24.126 -5.980133 38.36248 
1 1 1  -10   -1   36 o  259.457   17.590  883.053  113.295  952.758  187.571  843.015  142.157  258.742   29.561  249.219   23.105 9.522995 37.51888 
1 1 1  -10   -1   37 o   86.270   23.097  105.353   50.747   0.0000   0.0000  105.353   50.747  ?   ?    86.270   23.097 0.000000 23.09676 
1 1 1  -10   -1   38 o  227.196   17.886  690.593  100.657  699.214  177.665  686.518  122.153  210.487   35.032  222.535   22.281 -12.04826 41.51719 
1 1 1  -10   -1   39 o  132.381   19.097  240.880   61.305  275.150  145.374  233.468   67.611  122.426   40.689  128.562   21.841 -6.136078 46.18033 
1 1 1  -10   -1   40 o  207.485   18.429  588.211   94.493  607.061  186.290  581.681  109.646  181.209   41.990  202.714   22.014 -21.50558 47.41045 
1 1 1  -10   -1   41 o   83.178   23.246  103.651   50.155  343.250  173.527   81.810   52.391  124.600   44.328   74.245   24.415 50.35436 50.60697 
1 1 1  -10   -1   42 o   73.461   22.258   81.017   44.358   30.413  169.174   84.753   45.967   76.907   35.872   74.907   22.649 1.999069 42.42424 
1 1 1  -10    0    1 f  139.694   8.4571  244.782   29.363  244.383   41.367  245.188   41.686  139.252   12.013  139.474   12.088 -0.2219543 17.04247 
1 1 1  -10    0    2 o  685.368   21.320  5900.85  364.882  5920.68  516.008  5881.02  516.034  684.432   30.191  682.107   30.295 2.324951 42.77023 
1 1 1  -10    0    3 o  538.681   16.899  3636.92  227.324  3646.92  321.449  3626.91  321.521  538.401   23.909  536.909   23.980 1.491272 33.86278 
1 1 1  -10    0    4 o  883.351   26.454  9832.43  583.552  9848.22  825.234  9816.64  825.299  880.001   37.553  878.561   37.617 1.439819 53.15344 
1 1 1  -10    0    5 o  742.738   22.800  6934.31  422.890  7006.62  598.110  6862.04  598.003  744.136   32.187  736.317   32.523 7.819885 45.75724 
1 1 1  -10    0    6 o  562.708   16.513  3967.21  232.037  3658.53  327.752  4277.39  328.548  539.285   24.337  583.423   22.551 -44.13782 33.17921 
1 1 1  -10    0    7 o  673.349   19.699  5688.60  331.239  5830.36  468.629  5547.06  468.258  680.108   27.593  663.222   28.273 16.88562 39.50637 
1 1 1  -10    0    8 o  1071.51   32.485 14522.88  869.231 14847.80  1229.65 14198.35  1228.90  1076.63   45.737  1052.22   46.769 24.41577 65.41573 
1 1 1  -10    0    9 o  386.111   13.224  1865.43  127.502  1907.68  180.382  1823.24  180.249  390.056   18.519  381.290   18.931 8.766083 26.48247 
1 1 1  -10    0   10 o  562.198   25.403  3977.94  356.632  3571.41  504.284  4384.69  504.423  528.676   38.461  587.296   34.547 -58.62006 51.69833 
1 1 1  -10    0   11 o  442.879   14.644  2455.64  161.958  2462.52  229.040  2448.75  229.045  442.904   20.709  441.656   20.768 1.247131 29.32814 
1 1 1  -10    0   12 o  425.729   14.392  2269.11  153.005  2292.19  216.464  2246.05  216.300  427.324   20.285  422.980   20.478 4.343964 28.82409 
1 1 1  -10    0   13 o  259.192   12.261  840.526   79.362  800.817  138.706  859.852   96.766  251.432   22.324  261.610   14.874 -10.17720 26.82467 
1 1 1  -10    0   14 o  626.779   22.852  4942.37  357.678  4916.33  620.365  4955.34  437.766  618.984   40.355  626.422   27.985 -7.438232 49.10902 
1 1 1  -10    0   15 o  1009.52   35.725 12982.81  900.617 13547.92  1561.81 12701.28  1102.36  1009.45   62.261  993.113   44.450 16.34094 76.49982 
1 1 1  -10    0   16 o  646.500   22.615  5266.31  365.095  4304.14  631.396  5749.61  447.491  575.620   44.265  674.353   26.573 -98.73273 51.62849 
1 1 1  -10    0   17 o  612.339   21.857  4727.18  334.222  5445.36  583.325  4376.19  407.794  650.943   36.026  587.425   27.800 63.51794 45.50444 
1 1 1  -10    0   18 o  615.830   40.511  4934.51  619.516   0.0000   0.0000  4934.51  619.516  ?   ?   615.830   40.511 0.000000 40.51088 
1 1 1  -10    0   19 o  536.830   20.181  3637.43  270.538  3606.69  470.258  3652.64  330.754  527.346   35.924  536.520   24.687 -9.174622 43.58880 
1 1 1  -10    0   20 o  227.764   11.752  652.196   66.614  672.342  120.229  643.271   80.019  229.527   21.216  225.831   14.263 3.695892 25.56461 
1 1 1  -10    0   21 o  152.214   11.029  292.038   41.638  307.853   79.308  286.021   48.923  154.446   21.116  150.326   13.165 4.119781 24.88423 
1 1 1  -10    0   22 o  351.778   14.027  1557.29  123.220  1727.20  218.383  1477.93  149.247  367.003   23.960  341.507   17.560 25.49600 29.70595 
1 1 1  -10    0   23 o  123.062   13.279  192.729   40.160  255.070   68.550  160.151   49.554  140.324   20.140  110.987   18.533 29.33701 27.36951 
1 1 1  -10    0   24 o  291.460   13.414  1069.76   97.633  1063.36  174.442  1072.68  117.813  286.762   24.598  290.835   16.287 -4.072418 29.50158 
1 1 1  -10    0   25 o  523.021   20.120  3485.05  262.778  3386.11  459.221  3533.21  320.423  502.825   36.829  524.116   24.482 -21.29108 44.22346 
1 1 1  -10    0   26 o  394.000   15.719  1963.42  154.663  2132.28  275.041  1885.33  187.036  404.540   27.387  384.275   19.555 20.26453 33.65248 
1 1 1  -10    0   27 o  374.547   14.978  1773.00  140.087  1904.78  250.695  1713.17  168.921  382.577   26.402  366.567   18.513 16.00931 32.24640 
1 1 1  -10    0   28 o  188.752   12.206  450.384   57.223  334.084  112.247  491.223   66.515  157.493   29.628  196.871   13.613 -39.37741 32.60566 
1 1 1  -10    0   29 o  328.502   25.372  1405.36  206.525   0.0000   0.0000  1405.36  206.525  ?   ?   328.502   25.372 0.000000 25.37243 
1 1 1  -10    0   30 o  492.611   19.533  3100.94  240.280  2874.31  424.023  3208.14  291.621  459.448   37.279  498.557   23.424 -39.10953 44.02708 
1 1 1  -10    0   31 o  355.796   19.302  1623.42  170.850  1616.82  250.818  1629.13  233.363  349.374   29.011  352.222   26.731 -2.847595 39.44864 
1 1 1  -10    0   32 o  380.669   20.352  1867.58  192.766  1824.31  282.332  1905.37  263.831  368.819   30.940  379.272   28.055 -10.45248 41.76630 
1 1 1  -10    0   33 o  186.836   29.016  473.984  130.986  473.984  130.986   0.0000   0.0000  186.836   29.016  ?   ?  0.000000 29.01595 
1 1 1  -10    0   34 o  125.450   19.044  207.340   57.786  119.071  110.061  240.933   67.897   97.076   35.209  134.775   20.847 -37.69903 40.91738 
1 1 1  -10    0   35 o  253.394   17.536  833.191  110.281  804.650  175.901  851.674  141.556  240.656   29.915  253.080   22.638 -12.42389 37.51519 
1 1 1  -10    0   36 o  123.931   19.278  205.402   57.722  202.387  120.516  206.300   65.755  115.650   36.952  122.929   22.239 -7.279289 43.12819 
1 1 1  -10    0   37 o   56.727   21.383   34.418   41.282 -83.2265  114.271   52.077   44.272   61.563   28.961   64.306   22.432 -2.743114 36.63255 
1 1 1  -10    0   38 o  114.426   22.166  183.317   61.049   0.0000   0.0000  183.317   61.049  ?   ?   114.426   22.166 0.000000 22.16557 
1 1 1  -10    0   39 o  182.605   18.298  449.923   82.317  397.508  161.387  468.355   95.702  148.924   41.727  184.057   21.210 -35.13307 46.80774 
1 1 1  -10    0   40 o  158.224   18.785  342.529   72.773  293.801  159.827  355.274   81.738  123.368   42.645  159.473   21.039 -36.10442 47.55233 
1 1 1  -10    0   41 o   92.127   39.099  133.490  156.427  133.490  156.427   0.0000   0.0000   92.127   39.099  ?   ?  0.000000 39.09915 
1 1 1  -10    0   42 o  185.539   19.483  483.621   88.921  447.622  199.309  492.567   99.357  135.592   47.579  184.554   21.992 -48.96251 52.41572 
1 1 1  -10    0   43 o   57.365   21.437   42.750   41.315 -122.4490  182.590   51.664   42.415   66.574   32.604   60.955   21.891 5.618748 39.27140 
1 1 1  -10    1    1 o  418.027   13.804  2187.37  144.099  2189.94  203.768  2184.80  203.806  417.746   19.533  417.252   19.560 0.4940491 27.64297 
1 1 1  -10    1    2 o  506.771   16.382  3217.97  207.309  3211.37  293.142  3224.57  293.217  505.349   23.229  506.392   23.187 -1.043945 32.82157 
1 1 1  -10    1    3 o  584.699   18.442  4287.66  269.270  4294.03  380.770  4281.29  380.842  583.829   26.117  582.953   26.161 0.8755493 36.96655 
1 1 1  -10    1    4 o  506.527   16.322  3214.63  206.452  3265.55  291.984  3163.72  291.951  509.664   22.942  501.599   23.308 8.064301 32.70439 
1 1 1  -10    1    5 o  198.019   9.1930  490.124   45.458  514.463   64.337  465.858   64.240  202.372   12.797  192.469   13.450 9.902420 18.56515 
1 1 1  -10    1    6 o  245.952   9.8629  756.231   60.576  738.401   85.555  774.155   85.782  242.464   14.192  248.315   13.889 -5.850571 19.85779 
1 1 1  -10    1    7 o  168.518   8.9087  355.922   37.357  371.462   52.891  340.453   52.770  171.874   12.406  164.448   12.955 7.426163 17.93756 
1 1 1  -10    1    8 o  613.578   19.027  4721.66  291.536  4805.92  412.400  4637.49  412.188  617.691   26.736  606.676   27.207 11.01501 38.14522 
1 1 1  -10    1    9 o  491.157   15.914  3021.40  195.189  3056.10  276.100  2986.72  275.977  493.218   22.417  487.554   22.667 5.663940 31.87982 
1 1 1  -10    1   10 o  360.053   16.960  1624.38  152.493  1942.00  217.574  1317.71  213.791  392.559   22.287  322.357   26.801 70.20242 34.85698 
1 1 1  -10    1   11 o  532.025   23.032  3557.57  305.997  4174.79  435.013  2953.05  430.511  574.144   30.450  481.137   36.095 93.00687 47.22302 
1 1 1  -10    1   12 o  716.629   22.271  6453.00  398.553  6508.57  563.701  6397.46  563.577  717.455   31.463  711.228   31.732 6.226990 44.68605 
1 1 1  -10    1   13 o  771.229   23.658  7482.08  455.624  7674.29  644.648  7290.22  644.052  778.289   33.169  758.281   34.013 20.00800 47.50826 
1 1 1  -10    1   14 o  549.963   20.333  3798.61  279.251  3950.24  484.962  3723.40  341.561  556.596   35.071  543.651   25.159 12.94513 43.16171 
1 1 1  -10    1   15 o  1015.71   35.667 13132.94  904.667 13966.90  1569.24 12717.80  1107.17  1026.73   61.487  994.173   44.597 32.55756 75.95750 
1 1 1  -10    1   16 o  527.115   19.665  3492.18  258.848  3578.60  449.897  3449.41  316.476  529.041   34.238  522.987   24.233 6.054138 41.94585 
1 1 1  -10    1   17 o  193.025   11.236  467.918   53.924  435.851   97.155  482.194   64.825  184.805   21.451  195.730   13.342 -10.92455 25.26216 
1 1 1  -10    1   18 o  467.836   31.826  2805.87  369.608   0.0000   0.0000  2805.87  369.608  ?   ?   467.836   31.826 0.000000 31.82633 
1 1 1  -10    1   19 f  226.664   14.619  647.590   82.307  605.830  120.135  684.533  112.993  217.789   22.409  232.204   19.671 -14.41528 29.81830 
1 1 1  -10    1   20 o  262.105   12.326  861.561   80.677  833.596  143.479  874.491   97.562  255.510   22.724  263.386   14.894 -7.876083 27.17029 
1 1 1  -10    1   21 o  205.256   10.795  529.530   55.137  593.181  101.650  502.996   65.631  215.845   19.055  199.695   13.236 16.14978 23.20059 
1 1 1  -10    1   22 o  469.601   18.102  2787.78  212.280  2771.23  370.632  2795.86  258.964  460.998   32.401  468.861   22.118 -7.862885 39.23067 
1 1 1  -10    1   23 o  259.695   12.420  847.570   80.547  886.357  145.428  830.407   96.740  262.774   22.375  256.205   15.188 6.569000 27.04336 
1 1 1  -10    1   24 o  360.615   19.044  1655.12  170.891  1501.28  245.545  1799.63  237.985  339.022   29.291  373.227   25.691 -34.20502 38.96146 
1 1 1  -10    1   25 o  289.087   13.611  1052.86   98.257  919.386  175.527  1113.78  118.577  265.538   26.839  296.390   16.081 -30.85229 31.28811 
1 1 1  -10    1   26 o  446.846   17.496  2531.94  195.232  2536.07  343.274  2529.97  237.357  438.743   31.542  445.000   21.360 -6.257385 38.09359 
1 1 1  -10    1   27 o  163.555   11.258  337.802   45.699  292.447   93.188  352.163   52.438  148.433   26.093  166.764   12.687 -18.33047 29.01417 
1 1 1  -10    1   28 o  295.634   12.744  1100.93   94.086  1230.11  174.655  1048.12  111.676  308.756   22.814  287.417   15.618 21.33896 27.64782 
1 1 1  -10    1   29 o  203.706   12.317  524.416   62.361  451.745  123.247  549.423   72.300  184.526   27.594  208.168   13.989 -23.64220 30.93751 
1 1 1  -10    1   30 o   89.183   23.741  106.210   53.809   0.0000   0.0000  106.210   53.809  ?   ?    89.183   23.741 0.000000 23.74093 
1 1 1  -10    1   31 o  248.325   13.075  780.248   80.792  764.136  157.985  785.954   94.015  240.801   26.724  248.657   15.214 -7.855789 30.75082 
1 1 1  -10    1   32 o  413.891   16.507  2178.14  170.612  2385.53  310.283  2088.26  204.263  424.022   29.487  402.901   20.368 21.12073 35.83771 
1 1 1  -10    1   33 o   63.848   16.537   53.869   26.577   62.239   95.063   53.159   27.680   81.862   32.032   63.478   17.085 18.38485 36.30342 
1 1 1  -10    1   34 o  156.281   15.653  314.339   60.267  351.452  122.117  302.389   69.294  158.617   31.935  152.323   18.604 6.294403 36.95879 
1 1 1  -10    1   35 o  322.979   15.372  1334.35  123.983  1080.87  234.279  1432.96  146.122  276.123   34.746  333.030   17.633 -56.90695 38.96435 
1 1 1  -10    1   36 o  182.893   12.750  427.981   57.868  369.734  139.575  440.071   63.591  157.318   36.271  185.069   13.860 -27.75136 38.82905 
1 1 1  -10    1   37 o  247.824   12.647  786.878   78.009  851.952  173.902  770.486   87.283  245.398   28.934  244.323   14.369 1.074570 32.30597 
1 1 1  -10    1   38 o  172.670   12.299  383.891   52.686  422.273  145.434  378.092   56.525  163.746   36.499  170.896   13.351 -7.150253 38.86408 
1 1 1  -10    1   39 o   99.604   23.640  142.418   57.916   0.0000   0.0000  142.418   57.916  ?   ?    99.604   23.640 0.000000 23.63952 
1 1 1  -10    1   40 o  207.851   14.141  565.889   72.963   0.0000   0.0000  565.889   72.963  ?   ?   207.851   14.141 0.000000 14.14130 
1 1 1  -10    1   41 o  188.650   12.819  464.524   60.031  619.480  180.985  445.369   63.633  187.307   39.915  183.970   13.955 3.336716 42.28377 
1 1 1  -10    1   42 o   91.800   14.448  113.646   32.027  211.099  167.117  109.931   32.632  102.895   41.728   89.983   15.054 12.91121 44.36029 
1 1 1  -10    1   43 o  143.459   12.890  272.739   45.684  333.351  192.473  269.121   47.028  115.176   45.421  142.168   13.405 -26.99145 47.35773 
1 1 1  -10    2    1 o  460.703   15.099  2657.95  173.708  2638.48  245.553  2677.46  245.767  458.324   21.455  461.715   21.316 -3.391327 30.24338 
1 1 1  -10    2    2 f  411.273   13.829  2117.19  142.030  2119.98  200.857  2114.40  200.865  411.034   19.569  410.490   19.595 0.5443115 27.69300 
1 1 1  -10    2    3 o  1147.32   34.554 16689.71  989.988 16359.32  1399.58 17020.54  1400.53  1126.75   49.742  1149.99   48.769 -23.23572 69.66125 
1 1 1  -10    2    4 o  759.080   23.211  7244.14  439.982  7134.95  622.017  7353.48  622.440  750.653   33.183  762.214   32.702 -11.56207 46.58857 
1 1 1  -10    2    5 o  661.092   20.237  5485.20  334.089  5442.07  472.363  5528.37  472.584  656.752   28.802  661.990   28.588 -5.237915 40.58090 
1 1 1  -10    2    6 o  526.672   16.874  3475.75  221.925  3503.53  313.833  3447.97  313.864  527.842   23.809  523.609   24.004 4.232666 33.80931 
1 1 1  -10    2    7 o  592.012   18.569  4394.79  274.519  4481.09  388.303  4308.55  388.153  596.563   26.065  584.868   26.576 11.69470 37.22504 
1 1 1  -10    2    8 o  1032.00   31.099 13455.68  801.442 13439.20  1133.34 13472.16  1133.48  1025.21   44.269  1026.49   44.219 -1.283569 62.57030 
1 1 1  -10    2    9 o  663.968   20.003  5531.42  331.655  5609.18  469.119  5453.72  468.944  667.024   28.164  657.627   28.556 9.396851 40.10755 
1 1 1  -10    2   10 o  404.850   19.158  2055.71  193.680  2229.22  275.147  1885.30  272.679  419.943   26.372  385.636   28.518 34.30713 38.84219 
1 1 1  -10    2   11 o  753.547   33.164  7186.88  624.065  7147.65  883.070  7226.02  882.054  744.732   47.735  748.978   47.405 -4.246582 67.27435 
1 1 1  -10    2   12 o  255.679   10.475  817.364   66.880  868.380   94.726  766.658   94.439  262.974   14.480  246.947   15.391 16.02670 21.13195 
1 1 1  -10    2   13 o  497.223   16.176  3097.59  200.854  3250.47  284.248  2945.12  283.853  508.545   22.383  483.909   23.490 24.63644 32.44636 
1 1 1  -10    2   14 o  215.895   9.7513  582.748   52.572  649.104   74.747  517.790   73.955  227.347   13.223  202.808   14.703 24.53859 19.77415 
1 1 1  -10    2   15 o  738.927   22.959  6871.54  423.653  6948.75  599.287  6794.40  598.985  740.178   32.423  731.786   32.778 8.392090 46.10446 
1 1 1  -10    2   16 o  594.408   21.409  4445.09  317.791  4841.37  552.586  4249.25  388.457  615.070   36.136  579.920   26.824 35.14935 45.00355 
1 1 1  -10    2   17 o  302.863   13.441  1149.16  101.652  1095.62  178.245  1174.97  123.748  293.580   24.538  305.578   16.275 -11.99741 29.44500 
1 1 1  -10    2   18 o  509.726   34.261  3338.79  433.569  3338.79  433.569   0.0000   0.0000  509.726   34.261  ?   ?  0.000000 34.26103 
1 1 1  -10    2   19 o  227.238   20.787  656.754  116.651   0.0000   0.0000  656.754  116.651  ?   ?   227.238   20.787 0.000000 20.78720 
1 1 1  -10    2   20 o  180.704   11.433  410.815   51.327  347.182   93.737  438.063   61.339  163.891   23.583  186.389   13.265 -22.49789 27.05753 
1 1 1  -10    2   21 o  311.994   13.651  1222.62  106.355  1233.58  187.874  1217.45  129.018  310.469   24.430  310.440   16.704 0.2862549E-01 29.59461 
1 1 1  -10    2   22 o  615.281   22.910  4817.05  352.012  4701.15  611.887  4874.39  430.358  594.094   41.505  616.106   27.972 -22.01141 50.05113 
1 1 1  -10    2   23 o  450.754   17.747  2569.39  199.767  2488.32  348.772  2608.97  243.704  436.248   32.244  452.856   21.550 -16.60779 38.78238 
1 1 1  -10    2   24 o  280.105   12.449  986.371   87.077  1059.28  156.687  953.792  104.740  287.411   21.998  274.541   15.339 12.87003 26.81807 
1 1 1  -10    2   25 o  258.696   14.797  846.903   95.196  954.008  142.322  760.189  128.059  272.818   21.053  243.287   21.293 29.53041 29.94377 
1 1 1  -10    2   26 o  247.596   12.579  773.374   77.521  780.409  141.961  770.385   92.536  245.667   23.424  246.559   15.102 -0.8920746 27.87052 
1 1 1  -10    2   27 o  232.600   12.785  683.219   73.976  524.479  136.163  749.694   88.115  199.208   28.156  243.287   14.571 -44.07954 31.70318 
1 1 1  -10    2   28 o  110.738   12.429  156.260   33.776  192.133   79.143  148.271   37.348  119.501   27.140  107.483   14.267 12.01769 30.66136 
1 1 1  -10    2   29 o  193.708   11.587  473.609   55.792  541.987  113.080  451.608   64.142  204.387   22.530  188.731   13.703 15.65649 26.36986 
1 1 1  -10    2   30 o  103.012   13.697  136.185   34.361  129.327   94.090  137.241   36.910   99.895   32.712  103.201   14.741 -3.306046 35.88025 
1 1 1  -10    2   31 o  188.527   16.490  454.293   76.850  409.358  125.287  481.399   97.306  174.389   29.843  192.926   20.512 -18.53775 36.21247 
1 1 1  -10    2   32 f  268.591   12.479  909.746   83.698  1128.57  166.796  836.102   96.762  294.965   22.822  256.457   15.177 38.50830 27.40778 
1 1 1  -10    2   33 o  181.770   12.242  418.726   55.243  407.170  124.103  421.582   61.692  173.240   29.759  182.061   13.669 -8.821060 32.74834 
1 1 1  -10    2   34 o  130.881   12.837  218.710   41.415  262.103  112.616  211.924   44.536  136.406   33.342  128.520   14.109 7.885483 36.20422 
1 1 1  -10    2   35 o  158.485   16.436  324.835   64.102  240.350  128.371  352.899   73.987  128.325   37.622  164.595   18.311 -36.26930 41.84171 
1 1 1  -10    2   36 o   98.837   14.498  127.318   34.719   37.871  111.468  136.927   36.536   79.385   33.310  102.511   14.693 -23.12653 36.40619 
1 1 1  -10    2   37 o  195.546   11.952  488.385   58.084  708.465  150.608  449.932   62.954  225.981   27.237  187.054   13.570 38.92757 30.43052 
1 1 1  -10    2   38 o   99.501   14.887  130.517   35.854 -38.4492  122.857  146.247   37.486   69.173   31.656  105.527   14.618 -36.35466 34.86775 
1 1 1  -10    2   39 o  124.914   13.055  202.999   40.121  171.962  139.389  205.803   41.894  104.551   39.316  125.580   13.575 -21.02886 41.59375 
1 1 1  -10    2   40 o  275.578   20.142  1033.46  137.650  1035.94  247.038  1032.34  165.768  246.182   41.671  269.720   24.892 -23.53885 48.53983 
1 1 1  -10    2   41 o   86.717   14.841  101.053   30.982  252.282  156.454   94.880   31.608  115.937   41.989   83.627   15.712 32.30936 44.83274 
1 1 1  -10    2   42 o   82.548   15.712   93.087   31.204   9.2344  160.776   96.369   31.809   77.730   35.807   84.011   15.741 -6.281425 39.11398 
1 1 1  -10    2   43 o  102.859   14.428  142.556   36.040  206.637  177.941  139.815   36.803  100.236   42.073  101.582   14.956 -1.346062 44.65257 
1 1 1  -10    3    1 o  426.099   14.002  2272.63  148.985  2312.38  210.681  2232.87  210.712  429.290   19.653  421.807   20.004 7.482635 28.04296 
1 1 1  -10    3    2 o  307.026   11.162  1178.86   85.582  1231.52  121.163  1126.43  120.900  313.580   15.473  299.421   16.230 14.15933 22.42375 
1 1 1  -10    3    3 o  452.843   14.927  2567.71  168.796  2498.69  238.483  2637.00  238.944  446.049   21.410  458.292   20.879 -12.24350 29.90526 
1 1 1  -10    3    4 o  637.413   19.989  5098.66  318.170  5124.50  449.962  5072.82  449.958  637.423   28.268  634.167   28.413 3.255249 40.07978 
1 1 1  -10    3    5 o  530.738   17.019  3529.88  225.567  3484.64  318.862  3575.19  319.138  526.341   24.260  533.183   23.969 -6.841431 34.10347 
1 1 1  -10    3    6 o  360.409   12.607  1625.06  113.465  1583.66  160.279  1666.66  160.650  354.953   18.143  364.647   17.642 -9.693817 25.30659 
1 1 1  -10    3    7 o  701.018   21.731  6171.74  380.411  6241.79  538.034  6101.72  537.931  702.970   30.649  694.947   30.997 8.023315 43.59152 
1 1 1  -10    3    8 o  777.798   23.919  7606.57  464.575  7587.85  656.959  7625.29  657.059  774.099   33.985  776.032   33.906 -1.932678 48.00628 
1 1 1  -10    3    9 o  610.808   19.250  4679.47  293.616  4726.71  415.226  4632.22  415.245  612.518   27.147  606.308   27.426 6.209778 38.58903 
1 1 1  -10    3   10 o  523.310   23.618  3442.75  308.644  3740.25  437.561  3148.15  435.423  542.892   32.424  497.145   35.303 45.74689 47.93328 
1 1 1  -10    3   11 o  507.342   22.883  3234.75  289.909  3526.85  411.404  2946.62  408.598  527.356   31.382  481.138   34.231 46.21729 46.43899 
1 1 1  -10    3   12 o  370.397   13.008  1716.68  120.317  1737.95  170.185  1695.44  170.123  372.293   18.306  367.220   18.613 5.072754 26.10612 
1 1 1  -10    3   13 o  974.903   29.755 12005.52  724.392 12066.08  1024.48 11944.97  1024.41  971.697   42.220  966.695   42.436 5.001953 59.86123 
1 1 1  -10    3   14 o  618.026   19.510  4794.25  301.100  4892.08  425.943  4696.53  425.697  622.714   27.391  610.013   27.945 12.70111 39.13089 
1 1 1  -10    3   15 o  462.478   15.093  2679.62  174.308  2743.99  246.694  2615.45  246.324  467.241   21.143  456.096   21.627 11.14526 30.24504 
1 1 1  -10    3   16 o  327.389   12.150  1341.51   99.332  1448.62  140.797  1235.36  140.160  339.855   16.590  313.211   17.996 26.64343 24.47590 
1 1 1  -10    3   17 o  705.948   25.363  6296.02  447.120  6755.04  777.338  6069.07  546.589  722.041   43.312  690.852   31.683 31.18945 53.66322 
1 1 1  -10    3   18 o  227.871   11.244  650.028   63.981  772.643  115.275  595.439   76.916  247.154   18.819  217.461   14.243 29.69235 23.60098 
1 1 1  -10    3   19 o  691.106   31.045  6098.96  535.775   0.0000   0.0000  6098.96  535.775  ?   ?   691.106   31.045 0.000000 31.04469 
1 1 1  -10    3   20 o  120.198   21.177  187.772   61.242   0.0000   0.0000  187.772   61.242  ?   ?   120.198   21.177 0.000000 21.17683 
1 1 1  -10    3   21 o  422.893   16.864  2252.54  178.086  2171.84  310.739  2292.00  217.316  410.168   30.557  425.715   20.442 -15.54727 36.76413 
1 1 1  -10    3   22 f  716.916   25.748  6566.60  460.952  7140.98  801.917  6283.17  563.314  730.612   44.161  696.685   32.379 33.92664 54.75931 
1 1 1  -10    3   23 o  432.897   17.345  2367.54  187.501  2179.03  327.252  2459.66  228.775  408.313   32.360  440.108   20.816 -31.79507 38.47703 
1 1 1  -10    3   24 o  267.719   12.885  901.307   86.144  830.782  154.280  933.255  103.839  253.540   24.681  271.594   15.374 -18.05374 29.07703 
1 1 1  -10    3   25 o  320.383   14.044  1293.25  112.357  1317.02  199.801  1282.25  135.877  319.212   25.272  317.865   17.182 1.346344 30.55925 
1 1 1  -10    3   26 o  306.882   17.855  1197.83  136.236  944.257  197.053  1430.02  188.561  267.803   29.980  333.551   22.774 -65.74832 37.64923 
1 1 1  -10    3   27 o  372.951   15.675  1758.15  145.985  1694.30  258.217  1788.15  176.984  359.833   28.982  374.602   18.982 -14.76892 34.64492 
1 1 1  -10    3   28 o  138.308   12.139  242.479   41.503  149.049   85.867  270.959   47.408  105.466   30.727  146.085   13.136 -40.61840 33.41692 
1 1 1  -10    3   29 o  188.130   11.367  446.554   53.152  522.726  109.074  422.832   60.868  200.886   22.109  182.663   13.438 18.22215 25.87274 
1 1 1  -10    3   30 o  182.938   11.737  422.741   53.336  407.503  110.719  427.346   60.863  175.709   26.020  183.623   13.365 -7.913986 29.25179 
1 1 1  -10    3   31 o  309.161   24.794  1243.09  189.810   0.0000   0.0000  1243.09  189.810  ?   ?   309.161   24.794 0.000000 24.79440 
1 1 1  -10    3   32 o  370.323   14.890  1735.70  137.694  1883.26  254.284  1674.49  163.785  379.090   27.038  362.573   18.090 16.51764 32.53169 
1 1 1  -10    3   33 o   85.342   15.524   95.148   31.866  143.593  100.011   89.675   33.618  103.946   33.710   82.522   16.883 21.42390 37.70112 
1 1 1  -10    3   34 o  219.662   13.421  612.839   73.263  352.710  149.339  695.289   84.076  156.723   38.448  233.707   14.477 -76.98413 41.08373 
1 1 1  -10    3   35 f  254.516   13.214  823.398   83.698  823.615  170.779  823.330   96.020  247.049   28.187  253.775   15.222 -6.725952 32.03435 
1 1 1  -10    3   36 o  149.714   15.700  289.978   57.824  375.213  126.360  267.401   65.033  162.552   32.267  142.666   18.705 19.88640 37.29696 
1 1 1  -10    3   37 o  103.408   13.639  138.798   34.360  192.506  116.740  133.704   35.952  113.968   36.364  101.168   14.658 12.79997 39.20707 
1 1 1  -10    3   38 o   89.128   15.289  105.220   32.803 -34.0512  119.576  116.554   34.112   69.260   31.516   93.991   15.041 -24.73021 34.92086 
1 1 1  -10    3   39 o  180.272   12.657  418.993   56.616  579.206  168.970  398.732   60.089  192.736   36.442  175.299   13.839 17.43678 38.98152 
1 1 1  -10    3   40 o  147.554   17.190  290.931   62.154  281.035  153.510  292.872   67.975  125.966   41.809  147.046   18.953 -21.07967 45.90472 
1 1 1  -10    3   41 o  149.820   20.299  309.574   73.990  183.192  171.168  338.616   82.053  104.289   42.253  155.788   21.679 -51.49909 47.48957 
1 1 1  -10    3   42 o   55.839   16.728   42.397   25.159  265.834  162.875   36.935   25.465  116.639   42.750   52.778   16.999 63.86066 46.00612 
1 1 1  -10    3   43 o   77.552   16.672   83.522   31.328   58.571  176.475   84.334   31.834   83.796   38.190   77.856   16.862 5.939835 41.74711 
1 1 1  -10    3   44 o   95.647   14.942  124.676   34.520  202.541  193.269  122.110   35.085   97.384   42.410   94.392   15.417 2.991653 45.12525 
1 1 1  -10    4    1 o  452.076   14.841  2558.91  167.544  2489.27  236.742  2628.79  237.144  445.226   21.293  457.599   20.753 -12.37268 29.73360 
1 1 1  -10    4    2 o  437.448   14.367  2395.57  156.942  2432.69  221.898  2358.42  222.002  440.266   20.183  433.457   20.510 6.809082 28.77509 
1 1 1  -10    4    3 o  289.271   10.751  1046.32   77.661  1036.94  109.696  1055.75  109.962  287.348   15.343  289.961   15.240 -2.613312 21.62531 
1 1 1  -10    4    4 o  560.441   17.714  3937.24  247.911  3986.91  350.611  3887.57  350.588  562.878   24.944  555.766   25.261 7.112244 35.50091 
1 1 1  -10    4    5 o  739.860   22.813  6879.19  421.480  7038.73  596.207  6719.80  595.920  746.058   32.002  728.744   32.746 17.31506 45.78682 
1 1 1  -10    4    6 o  337.917   12.059  1428.31  101.758  1452.78  143.939  1403.87  143.877  340.501   16.928  334.253   17.296 6.248413 24.20183 
1 1 1  -10    4    7 o  451.244   14.772  2549.24  166.456  2534.29  235.288  2564.22  235.522  449.308   20.970  451.965   20.868 -2.657257 29.58410 
1 1 1  -10    4    8 o  636.958   19.942  5090.48  317.198  5101.12  448.543  5079.83  448.630  636.072   28.239  634.729   28.304 1.343079 39.98191 
1 1 1  -10    4    9 o  832.329   36.296  8789.75  754.400  8263.01  1066.30  9317.64  1067.47  797.814   53.836  849.271   50.562 -51.45752 73.85721 
1 1 1  -10    4   10 o  621.390   27.692  4866.79  429.709  5005.07  608.476  4729.20  606.929  626.095   39.114  608.153   40.191 17.94183 56.08242 
1 1 1  -10    4   11 o  693.457   30.622  6074.65  530.278  6215.05  750.789  5934.90  749.068  696.117   43.406  679.784   44.370 16.33337 62.07092 
1 1 1  -10    4   12 o  143.082   8.9761  256.885   31.909  274.830   45.227  239.098   45.027  147.701   12.376  137.593   13.269 10.10835 18.14492 
1 1 1  -10    4   13 o  393.787   13.157  1940.61  129.383  1985.05  183.057  1896.25  182.892  397.833   18.426  388.794   18.838 9.039368 26.35107 
1 1 1  -10    4   14 o  452.358   15.092  2563.06  170.483  2663.85  241.249  2462.52  240.951  460.489   20.980  442.639   21.799 17.85052 30.25423 
1 1 1  -10    4   15 f  215.112   10.098  578.638   54.243  577.221   76.668  580.058   76.754  214.200   14.417  214.729   14.397 -0.5293732 20.37490 
1 1 1  -10    4   16 o  764.468   33.829  7432.79  645.804   0.0000   0.0000  7432.79  645.804  ?   ?   764.468   33.829 0.000000 33.82911 
1 1 1  -10    4   17 o  952.248   41.960 11684.81  997.778 11684.81  997.778   0.0000   0.0000  952.248   41.960  ?   ?  0.000000 41.95979 
1 1 1  -10    4   18 o  363.031   15.023  1653.13  136.195  1550.89  237.525  1703.21  166.237  348.717   27.499  368.110   18.084 -19.39209 32.91287 
1 1 1  -10    4   19 o  423.312   16.321  2251.17  172.530  2380.74  301.306  2187.97  210.447  431.874   28.091  416.644   20.227 15.23038 34.61549 
1 1 1  -10    4   20 o  239.621   21.250  730.910  125.836   0.0000   0.0000  730.910  125.836  ?   ?   239.621   21.250 0.000000 21.24997 
1 1 1  -10    4   21 o  696.407   25.436  6173.13  442.353  6181.21  768.049  6169.12  541.112  681.602   45.383  692.809   31.277 -11.20697 55.11707 
1 1 1  -10    4   22 o  411.437   14.580  2128.96  149.797  2734.59  265.364  1845.71  181.476  463.853   22.909  382.127   19.018 81.72629 29.77435 
1 1 1  -10    4   23 o  295.087   13.292  1094.58   97.947  1090.10  173.729  1096.67  118.591  291.328   24.097  294.460   16.190 -3.132019 29.03040 
1 1 1  -10    4   24 o  125.364   12.287  199.332   37.971   92.982   74.907  236.109   44.049   87.026   29.212  136.410   13.092 -49.38345 32.01181 
1 1 1  -10    4   25 o  299.584   13.886  1130.35  103.886  1001.48  184.566  1190.10  125.686  277.525   26.972  306.435   16.485 -28.91037 31.61137 
1 1 1  -10    4   26 o  169.341   11.720  362.066   49.257  347.520   94.788  367.447   57.653  163.031   24.001  170.262   13.675 -7.231506 27.62335 
1 1 1  -10    4   27 o  420.090   20.040  2247.08  210.231  2415.80  303.327  2091.11  291.641  430.583   28.369  399.859   29.414 30.72488 40.86520 
1 1 1  -10    4   28 o  134.317   11.499  228.404   38.197  317.643   82.067  203.726   43.156  156.283   21.606  126.375   13.905 29.90839 25.69411 
1 1 1  -10    4   29 o  236.606   12.542  706.675   73.838  718.890  138.843  701.858   87.190  235.334   23.960  235.268   14.918 0.6684875E-01 28.22466 
1 1 1  -10    4   30 f  270.142   13.379  920.015   90.251  802.850  167.481  967.960  107.137  247.188   27.604  276.195   15.597 -29.00693 31.70562 
1 1 1  -10    4   31 o  199.896   12.020  504.761   59.721  590.524  122.913  478.257   68.329  213.006   23.499  194.109   14.195 18.89680 27.45338 
1 1 1  -10    4   32 o  151.436   22.107  300.259   81.136   0.0000   0.0000  300.259   81.136  ?   ?   151.436   22.107 0.000000 22.10679 
1 1 1  -10    4   33 o  203.101   12.981  522.669   65.493  433.149  135.798  549.802   74.763  178.423   31.637  207.960   14.487 -29.53668 34.79586 
1 1 1  -10    4   34 o  198.810   12.184  500.567   60.200  546.845  133.655  488.790   67.426  202.516   27.109  196.042   13.862 6.473099 30.44762 
1 1 1  -10    4   35 o  116.872   13.611  175.379   38.979  145.885  111.128  179.517   41.624  104.587   35.578  118.066   14.417 -13.47893 38.38851 
1 1 1  -10    4   36 o  182.458   12.340  423.707   55.895  524.542  136.360  403.343   61.280  195.615   28.775  177.535   13.934 18.07933 31.97111 
1 1 1  -10    4   37 o  126.507   16.385  209.141   50.546  248.880  122.315  200.958   55.507  129.206   36.370  123.189   18.625 6.017815 40.86158 
1 1 1  -10    4   38 o  127.545   13.265  210.137   41.630  226.003  129.668  208.313   43.958  120.952   38.296  126.703   14.134 -5.750534 40.82136 
1 1 1  -10    4   39 o  114.123   13.760  169.822   38.423  271.629  139.799  161.503   39.962  129.031   39.599  110.891   14.801 18.14014 42.27415 
1 1 1  -10    4   40 o  116.375   12.869  176.254   36.774  323.717  142.285  165.699   38.067  139.046   39.257  112.440   13.850 26.60535 41.62906 
1 1 1  -10    4   41 o  237.670   13.953  736.171   82.452  645.181  201.958  754.370   90.322  191.156   43.311  239.695   15.168 -48.53929 45.89002 
1 1 1  -10    4   42 o  116.515   22.025  192.859   61.734  228.571  166.018  187.128   66.503  110.894   42.622  113.336   24.232 -2.441666 49.02846 
1 1 1  -10    4   43 o   91.362   15.403  113.145   33.891  168.493  176.101  111.016   34.537   98.376   41.603   90.256   15.905 8.120209 44.53959 
1 1 1  -10    4   44 o  193.594   13.295  494.761   63.886  710.696  223.273  475.505   66.674  178.474   48.728  189.038   14.228 -10.56387 50.76275 
1 1 1  -10    5    1 o  407.144   19.470  2079.70  197.952  2160.30  280.385  1999.60  279.509  413.123   27.333  397.182   28.368 15.94086 39.39303 
1 1 1  -10    5    2 o  510.538   16.408  3265.52  209.192  3221.97  295.629  3309.19  296.055  506.239   23.385  513.087   23.106 -6.848389 32.87503 
1 1 1  -10    5    3 o  341.951   12.161  1462.70  103.848  1418.51  146.657  1507.13  147.069  335.956   17.542  346.800   16.982 -10.84360 24.41545 
1 1 1  -10    5    4 o  423.555   13.881  2245.36  146.814  2231.89  207.485  2258.88  207.767  421.767   19.700  424.319   19.608 -2.552399 27.79495 
1 1 1  -10    5    5 o  737.256   22.794  6830.65  419.643  6911.25  593.504  6750.06  593.425  739.243   32.150  730.460   32.533 8.782776 45.73857 
1 1 1  -10    5    6 o  530.002   17.045  3519.98  225.592  3545.21  318.988  3494.73  319.082  530.953   24.058  527.130   24.240 3.822571 34.15241 
1 1 1  -10    5    7 o  487.698   15.851  2979.00  193.040  2926.54  272.792  3031.63  273.208  482.607   22.635  491.245   22.271 -8.637451 31.75481 
1 1 1  -10    5    8 o  499.189   22.904  3131.53  285.517  3241.79  404.361  3021.90  403.205  505.330   32.212  487.538   33.318 17.79211 46.34290 
1 1 1  -10    5    9 o  454.273   21.324  2591.15  241.901  2532.30  342.516  2649.71  341.684  446.686   30.896  457.155   30.099 -10.46808 43.13348 
1 1 1  -10    5   10 o  574.722   25.932  4158.77  372.168  4131.27  526.740  4186.19  525.911  569.151   37.267  573.038   36.949 -3.886597 52.47876 
1 1 1  -10    5   11 o  747.367   32.873  7069.44  613.516  6724.25  867.421  7414.99  867.865  721.757   48.407  759.255   45.990 -37.49872 66.77114 
1 1 1  -10    5   12 o  738.816   22.860  6861.55  421.764  6861.21  596.379  6861.89  596.549  736.294   32.436  736.328   32.443 -0.3448486E-01 45.87619 
1 1 1  -10    5   13 o  363.662   12.746  1654.86  115.751  1639.16  163.603  1670.59  163.789  361.072   18.203  364.995   17.970 -3.922119 25.57880 
1 1 1  -10    5   14 o  272.194   10.438  926.493   70.946  974.122  100.529  879.235  100.137  278.529   14.503  264.498   15.225 14.03125 21.02743 
1 1 1  -10    5   15 o  117.043   9.3766  172.368   27.176  177.640   38.524  167.145   38.340  118.388   13.259  114.737   13.649 3.650520 19.02872 
1 1 1  -10    5   16 o  507.565   15.968  3230.11  202.392  3133.66  285.941  3326.95  286.511  498.823   22.955  514.098   22.317 -15.27444 32.01575 
1 1 1  -10    5   17 o  601.032   18.374  4538.23  275.773  4548.56  390.033  4527.91  389.972  599.864   26.037  598.484   26.093 1.379395 36.86203 
1 1 1  -10    5   18 o  165.516   9.1176  343.674   37.540  357.990   53.342  329.627   52.840  168.568   12.767  161.660   13.204 6.908203 18.36688 
1 1 1  -10    5   19 o  295.397   11.087  1092.60   81.782  1098.67  115.910  1086.57  115.406  295.378   15.771  293.739   15.791 1.639252 22.31799 
1 1 1  -10    5   20 o  144.228   11.031  262.063   39.430  268.105   77.783  259.973   45.742  143.969   22.361  143.411   12.911 0.5581970 25.82065 
1 1 1  -10    5   21 o  197.623   20.398  498.681   99.218   0.0000   0.0000  498.681   99.218  ?   ?   197.623   20.398 0.000000 20.39822 
1 1 1  -10    5   22 o  390.276   14.892  1915.95  145.132  2181.07  255.784  1790.07  176.251  412.963   24.920  376.424   18.750 36.53851 31.18622 
1 1 1  -10    5   23 o  290.147   12.831  1057.63   92.971  1171.74  166.075  1005.55  112.200  302.810   22.115  281.993   15.999 20.81677 27.29590 
1 1 1  -10    5   24 o  418.270   16.989  2210.41  177.445  1959.85  309.758  2332.80  216.486  386.739   32.372  428.642   20.225 -41.90286 38.17032 
1 1 1  -10    5   25 o  144.988   11.399  265.583   40.940  340.498   83.195  241.646   47.028  162.288   21.023  137.857   13.848 24.43039 25.17396 
1 1 1  -10    5   26 o  228.081   12.178  655.836   69.109  672.244  127.438  649.001   82.255  228.285   22.654  226.406   14.627 1.879044 26.96559 
1 1 1  -10    5   27 o  382.585   18.839  1859.02  179.983  1973.19  260.586  1754.87  248.886  389.910   26.928  367.405   27.323 22.50504 38.36212 
1 1 1  -10    5   28 o  286.541   14.041  1035.31  100.473  833.079  180.100  1126.68  121.062  251.509   29.220  297.977   16.332 -46.46779 33.47435 
1 1 1  -10    5   29 f  265.432   12.821  887.132   84.983  877.842  157.117  890.974  101.039  260.131   24.475  265.104   15.328 -4.973145 28.87818 
1 1 1  -10    5   30 f  289.194   12.880  1053.43   93.017  1210.33  173.656  990.305  110.151  306.341   22.865  279.336   15.856 27.00513 27.82516 
1 1 1  -10    5   31 o  163.458   12.537  338.426   50.784  278.362  107.259  355.781   57.655  143.103   30.918  167.350   13.923 -24.24684 33.90801 
1 1 1  -10    5   32 o  207.713   13.091  546.148   67.553  393.431  134.227  597.948   78.174  169.833   32.837  217.047   14.507 -47.21402 35.89904 
1 1 1  -10    5   33 o  236.651   22.569  727.208  131.758   0.0000   0.0000  727.208  131.758  ?   ?   236.651   22.569 0.000000 22.56912 
1 1 1  -10    5   34 o  419.926   16.293  2241.77  170.851  2406.55  311.258  2170.72  204.395  425.716   29.460  411.418   19.895 14.29733 35.54816 
1 1 1  -10    5   35 o  240.160   12.566  730.953   75.097  850.685  157.886  695.946   85.372  253.704   25.257  233.683   14.705 20.02043 29.22566 
1 1 1  -10    5   36 o  205.778   13.520  539.817   69.090  322.031  148.155  600.341   78.103  147.611   39.441  216.720   14.516 -69.10818 42.02730 
1 1 1  -10    5   37 o   91.719   14.869  110.111   32.890  146.498  115.234  106.884   34.318  103.365   36.183   90.073   15.835 13.29125 39.49632 
1 1 1  -10    5   38 o  256.582   17.141  856.738  109.194  925.503  189.146  822.365  133.729  256.425   30.112  248.310   21.787 8.114914 37.16670 
1 1 1  -10    5   39 o  166.734   37.706  433.479  153.316  433.479  153.316   0.0000   0.0000  166.734   37.706  ?   ?  0.000000 37.70618 
1 1 1  -10    5   40 o   44.358   16.087   21.926   22.977   23.869  128.167   21.861   23.356   78.039   34.245   44.485   16.206 33.55389 37.88652 
1 1 1  -10    5   41 o  124.289   13.527  201.970   41.306  171.747  149.976  204.451   42.968  103.807   40.340  124.852   14.024 -21.04530 42.70823 
1 1 1  -10    5   42 o  109.869   14.482  159.963   38.766   0.0000   0.0000  159.963   38.766  ?   ?   109.869   14.482 0.000000 14.48225 
1 1 1  -10    5   43 o   99.414   15.065  132.714   36.228  172.032  171.618  130.880   37.063  100.137   41.619   98.475   15.591 1.662056 44.44369 
1 1 1  -10    5   44 o  174.272   13.061  399.337   56.428  369.125  203.768  401.847   58.724  124.706   47.388  174.465   13.586 -49.75909 49.29671 
1 1 1  -10    6    1 f  382.068   18.633  1830.81  177.773  1783.75  251.473  1877.83  251.344  375.260   27.016  385.221   26.285 -9.960938 37.69322 
1 1 1  -10    6    2 o  525.040   23.797  3466.91  312.007  3693.19  441.928  3242.03  440.565  539.154   32.982  504.409   35.197 34.74570 48.23560 
1 1 1  -10    6    3 o  345.426   17.071  1495.33  147.257  1685.71  209.001  1307.66  207.512  365.496   23.016  321.199   26.097 44.29733 34.79672 
1 1 1  -10    6    4 o  605.836   27.119  4625.46  410.276  4703.48  580.477  4547.59  579.960  606.941   38.498  596.537   39.150 10.40454 54.90729 
1 1 1  -10    6    5 f  323.040   16.594  1310.90  133.408  1393.81  189.348  1229.17  187.994  332.233   22.964  311.668   24.348 20.56433 33.46870 
1 1 1  -10    6    6 o  433.019   20.447  2353.46  221.104  2111.95  312.562  2595.36  312.816  407.704   30.931  452.902   27.793 -45.19815 41.58323 
1 1 1  -10    6    7 o  666.151   29.575  5601.41  491.981  5508.12  695.870  5694.65  695.662  655.431   42.750  666.784   41.994 -11.35339 59.92533 
1 1 1  -10    6    8 o  519.990   23.792  3400.02  308.944  3370.90  437.290  3429.04  436.536  514.744   34.214  519.282   33.849 -4.537781 48.12882 
1 1 1  -10    6    9 o  235.894   14.163  699.033   83.046  576.281  117.592  821.174  117.299  213.004   22.445  255.238   18.530 -42.23409 29.10577 
1 1 1  -10    6   10 o  509.690   23.424  3266.24  298.141  3211.38  422.043  3320.89  421.227  502.422   33.836  511.131   33.181 -8.709564 47.39010 
1 1 1  -10    6   11 o  295.891   11.177  1094.93   82.585  1067.90  116.474  1122.26  117.115  291.528   16.061  298.913   15.745 -7.385529 22.49173 
1 1 1  -10    6   12 o  336.480   12.144  1416.40  102.037  1359.47  144.025  1473.77  144.583  328.832   17.603  342.916   16.884 -14.08380 24.39148 
1 1 1  -10    6   13 o  164.909   9.1707  340.995   37.616  340.073   53.040  341.928   53.357  164.331   13.032  164.777   13.075 -0.4456329 18.46006 
1 1 1  -10    6   14 o  424.157   14.377  2253.02  152.285  2311.41  215.361  2194.64  215.365  429.010   20.102  417.968   20.634 11.04156 28.80742 
1 1 1  -10    6   15 o  225.572   13.770  639.528   77.194   0.0000   0.0000  639.528   77.194  ?   ?   225.572   13.770 0.000000 13.76995 
1 1 1  -10    6   16 o  173.306   11.178  377.356   48.118  359.042   59.586  411.685   81.579  168.689   14.279  180.150   18.392 -11.46059 23.28433 
1 1 1  -10    6   17 f  239.088   9.6005  714.958   57.319  729.476   81.197  700.536   80.927  240.922   13.551  236.051   13.789 4.870285 19.33316 
1 1 1  -10    6   18 o  455.415   15.179  2601.94  172.623  2642.05  244.184  2561.86  244.066  457.851   21.357  450.785   21.681 7.066620 30.43372 
1 1 1  -10    6   19 o  338.631   12.603  1437.04  106.572  1464.25  150.857  1409.93  150.573  340.748   17.791  334.292   18.105 6.456085 25.38284 
1 1 1  -10    6   20 o  129.751   9.5627  211.843   30.766  226.726   43.879  197.452   43.150  133.792   13.310  124.645   14.111 9.147133 19.39816 
1 1 1  -10    6   21 o  312.627   24.253  1248.55  187.855   0.0000   0.0000  1248.55  187.855  ?   ?   312.627   24.253 0.000000 24.25253 
1 1 1  -10    6   22 o  141.621   14.948  255.030   52.065  326.470   78.483  198.876   69.581  159.409   20.167  123.125   23.488 36.28420 30.95745 
1 1 1  -10    6   23 o  221.419   12.046  617.238   66.357  557.291  120.080  643.592   79.618  207.889   23.546  225.755   14.195 -17.86658 27.49387 
1 1 1  -10    6   24 o  165.146   11.502  344.001   47.139  367.905   89.445  334.809   55.467  168.729   21.734  162.552   13.795 6.177521 25.74179 
1 1 1  -10    6   25 o  507.219   19.513  3265.78  247.159  3132.02  430.973  3331.34  301.704  486.346   35.736  510.314   23.675 -23.96777 42.86691 
1 1 1  -10    6   26 o  493.143   19.134  3087.53  235.631  3085.69  412.208  3088.43  287.176  483.147   34.390  491.199   23.412 -8.051636 41.60276 
1 1 1  -10    6   27 o  193.515   11.535  472.191   55.490  544.669  107.402  445.799   64.810  205.635   21.220  187.583   13.935 18.05261 25.38693 
1 1 1  -10    6   28 o  440.763   21.309  2480.19  234.538  2526.64  337.219  2436.67  326.418  438.600   30.988  431.001   30.526 7.598999 43.49804 
1 1 1  -10    6   29 o  133.025   12.713  224.740   41.718  154.376   87.280  245.575   47.494  107.247   30.902  138.894   13.879 -31.64677 33.87577 
1 1 1  -10    6   30 o  145.279   12.578  267.642   45.180  208.533   95.843  284.530   51.229  123.813   31.053  149.586   13.872 -25.77284 34.01115 
1 1 1  -10    6   31 o  319.202   14.587  1286.86  116.275  1169.37  211.713  1337.61  139.138  298.210   28.788  324.266   17.245 -26.05569 33.55755 
1 1 1  -10    6   32 o  159.048   13.385  321.249   52.668  112.594  111.455  381.236   59.761   97.982   35.447  173.244   13.931 -75.26164 38.08659 
1 1 1  -10    6   33 o  378.322   16.119  1815.10  152.280  1784.44  277.477  1828.31  182.163  366.784   30.573  377.946   19.366 -11.16245 36.19069 
1 1 1  -10    6   34 o  422.169   31.016  2376.78  324.696   0.0000   0.0000  2376.78  324.696  ?   ?   422.169   31.016 0.000000 31.01641 
1 1 1  -10    6   35 o  165.683   10.969  347.304   45.126  811.383  127.757  281.151   48.235  250.200   20.632  148.544   13.139 101.6559 24.46011 
1 1 1  -10    6   36 o  158.791   12.428  320.950   48.889  463.467  127.015  296.163   52.970  184.531   28.480  152.074   14.109 32.45726 31.78334 
1 1 1  -10    6   37 o  445.279   16.815  2548.14  186.977  2823.05  346.645  2435.34  222.048  452.971   30.829  432.268   20.570 20.70294 37.06148 
1 1 1  -10    6   38 o  392.735   19.477  2015.61  191.021   0.0000   0.0000  2015.61  191.021  ?   ?   392.735   19.477 0.000000 19.47746 
1 1 1  -10    6   39 f  121.034   16.669  193.373   49.046  209.734  128.944  190.606   53.032  116.437   38.303  119.482   18.361 -3.044563 42.47642 
1 1 1  -10    6   40 o   62.556   17.188   52.956   27.677  111.359  128.090   50.096   28.347   93.149   36.952   60.986   17.622 32.16309 40.93880 
1 1 1  -10    6   41 o   55.558   17.025   41.057   25.853  104.238  136.775   38.716   26.328   91.465   37.498   54.323   17.262 37.14143 41.28074 
1 1 1  -10    6   42 o  146.601   13.332  280.370   48.273  317.261  165.969  276.960   50.454  130.770   43.476  145.346   14.077 -14.57648 45.69874 
1 1 1  -10    6   43 o   48.288   16.770   28.831   24.729   0.0000   0.0000   28.831   24.729  ?   ?    48.288   16.770 0.000000 16.76977 
1 1 1  -10    6   44 o  275.264   14.375  1000.41   98.471  1222.26  255.254  961.619  106.733  261.588   40.375  268.121   16.014 -6.533569 43.43504 
1 1 1  -10    6   45 o   45.749   16.304   25.584   23.485  273.283  199.562   22.106   23.650  107.923   44.870   44.005   16.264 63.91855 47.72622 
1 1 1  -10    7    1 o  136.075   9.1609  232.499   30.948  252.411   43.236  211.579   44.318  141.501   12.360  129.260   13.951 12.24074 18.63869 
1 1 1  -10    7    2 o  353.240   12.499  1561.18  110.255  1500.71  155.604  1622.15  156.246  345.474   18.100  359.725   17.394 -14.25119 25.10243 
1 1 1  -10    7    3 o  120.658   9.1165  183.007   27.266  159.959   37.906  207.717   39.249  112.206   13.820  128.256   12.410 -16.05037 18.57426 
1 1 1  -10    7    4 o  489.675   15.897  3003.70  194.386  2897.00  274.534  3110.97  275.275  480.057   22.901  497.578   22.154 -17.52057 31.86310 
1 1 1  -10    7    5 o  420.924   14.193  2217.96  149.191  2177.54  210.740  2258.57  211.237  416.512   20.261  424.225   19.940 -7.713226 28.42745 
1 1 1  -10    7    6 o  345.773   12.419  1495.76  107.234  1520.45  151.527  1470.98  151.779  347.843   17.500  342.079   17.829 5.763824 24.98301 
1 1 1  -10    7    7 o  309.960   11.573  1201.65   89.577  1227.26  126.643  1176.00  126.718  312.564   16.282  305.906   16.651 6.658203 23.28827 
1 1 1  -10    7    8 o  357.931   12.735  1602.95  113.832  1654.71  160.932  1551.14  161.034  363.308   17.739  351.222   18.425 12.08572 25.57591 
1 1 1  -10    7    9 o  448.886   14.954  2523.16  167.627  2548.98  237.019  2497.32  237.102  450.539   21.067  445.923   21.292 4.615997 29.95295 
1 1 1  -10    7   10 o  581.257   18.171  4236.67  263.747  4136.47  372.710  4337.18  373.280  573.047   26.045  586.897   25.470 -13.85040 36.42882 
1 1 1  -10    7   11 o  165.335   9.1058  342.721   37.450  335.054   52.656  350.569   53.275  163.110   13.036  166.884   12.883 -3.773468 18.32844 
1 1 1  -10    7   12 o  160.357   9.0685  322.455   36.165  301.866   50.733  343.727   51.568  154.738   13.257  165.264   12.590 -10.52528 18.28303 
1 1 1  -10    7   13 f  328.707   12.075  1351.87   99.118  1373.49  140.083  1330.19  140.265  330.555   17.028  325.249   17.332 5.306305 24.29741 
1 1 1  -10    7   14 o  381.051   14.967  1819.01  142.416  1917.04  248.522  1771.07  173.780  389.097   25.723  375.664   18.525 13.43283 31.69879 
1 1 1  -10    7   15 o  248.896   15.165  779.181   93.808  779.181   93.808   0.0000   0.0000  248.896   15.165  ?   ?  0.000000 15.16522 
1 1 1  -10    7   16 o  369.013   12.892  1705.13  118.800  1661.86  167.754  1748.66  168.265  363.276   18.554  373.177   18.056 -9.901733 25.88970 
1 1 1  -10    7   17 o  113.537   9.9628  162.490   27.961  164.030   38.962  160.854   40.151  113.550   14.040  112.332   14.663 1.217827 20.30070 
1 1 1  -10    7   18 o  143.324   8.7309  257.846   31.099  274.029   44.066  241.788   43.896  147.429   12.075  138.326   12.855 9.102982 17.63699 
1 1 1  -10    7   19 o  159.213   9.7661  318.403   38.641  364.314   54.987  273.611   54.313  169.979   13.054  146.888   15.018 23.09155 19.89853 
1 1 1  -10    7   20 o  313.731   12.199  1233.79   95.570  1249.01  135.158  1218.58  135.155  314.578   17.271  310.668   17.493 3.910431 24.58246 
1 1 1  -10    7   21 f  116.601   10.681  171.749   30.755  198.739   49.487  154.765   39.257  124.639   16.289  110.032   14.651 14.60668 21.90902 
1 1 1  -10    7   22 o  200.529   20.865  514.631  102.955   0.0000   0.0000  514.631  102.955  ?   ?   200.529   20.865 0.000000 20.86542 
1 1 1  -10    7   23 o  282.349   12.488  1001.16   88.050  1117.38  157.532  948.358  106.186  295.889   21.466  273.931   15.587 21.95789 26.52847 
1 1 1  -10    7   24 o  259.806   12.619  848.244   81.873  841.104  147.330  851.435   98.479  255.745   23.326  259.473   15.266 -3.727325 27.87716 
1 1 1  -10    7   25 o  318.411   14.075  1276.80  111.918  1265.42  198.528  1282.09  135.502  312.958   25.628  317.976   17.128 -5.017822 30.82435 
1 1 1  -10    7   26 o  253.445   12.837  810.076   80.981  793.158  146.594  817.506   97.149  247.742   23.996  254.061   15.385 -6.319107 28.50488 
1 1 1  -10    7   27 o  335.575   13.923  1418.98  116.672  1586.27  209.179  1343.43  140.568  350.910   24.015  325.254   17.369 25.65631 29.63851 
1 1 1  -10    7   28 o  160.054   12.003  323.886   47.625  356.106   96.250  313.440   54.804  164.976   24.072  157.058   14.124 7.917618 27.90983 
1 1 1  -10    7   29 o  322.702   17.478  1323.88  140.324  1343.24  206.659  1307.32  191.143  321.656   25.949  318.069   24.248 3.587555 35.51495 
1 1 1  -10    7   30 o  432.545   17.164  2371.57  185.394  2499.77  328.847  2311.84  224.467  436.271   30.374  425.424   21.129 10.84656 37.00039 
1 1 1  -10    7   31 o  319.015   14.475  1284.93  115.316  1216.47  210.601  1314.24  137.811  304.699   27.991  321.455   17.231 -16.75601 32.86942 
1 1 1  -10    7   32 o  183.800   12.080  427.034   55.138  509.435  118.179  404.106   62.339  197.352   24.508  178.374   14.110 18.97847 28.27937 
1 1 1  -10    7   33 o  399.515   16.584  2025.27  165.455  2076.45  298.759  2002.63  198.711  396.137   30.434  395.276   20.199 0.8611450 36.52689 
1 1 1  -10    7   34 o  300.916   14.031  1144.89  105.433  1170.48  202.538  1135.38  123.482  297.930   27.535  298.473   16.633 -0.5426025 32.16880 
1 1 1  -10    7   35 o  251.672   23.343  828.015  145.032   0.0000   0.0000  828.015  145.032  ?   ?   251.672   23.343 0.000000 23.34265 
1 1 1  -10    7   36 f  100.218   14.685  130.213   35.660  169.595  112.854  125.845   37.586  110.769   35.797   98.195   15.869 12.57384 39.15697 
1 1 1  -10    7   37 o  225.884   13.543  650.825   76.038  466.957  163.122  701.869   85.947  178.770   37.725  234.141   14.775 -55.37105 40.51573 
1 1 1  -10    7   38 o  136.441   37.713  280.696  132.783  280.696  132.783   0.0000   0.0000  136.441   37.713  ?   ?  0.000000 37.71310 
1 1 1  -10    7   39 o  155.851   13.081  312.474   50.440  350.305  140.903  306.913   54.020  150.822   37.555  154.048   14.203 -3.225174 40.15117 
1 1 1  -10    7   40 o   75.746   16.042   77.165   29.400  134.673  130.895   74.110   30.170   98.509   37.849   74.031   16.716 24.47826 41.37611 
1 1 1  -10    7   41 o  104.628   13.931  143.715   35.495  254.875  144.861  136.615   36.611  122.705   40.609  101.634   14.865 21.07095 43.24431 
1 1 1  -10    7   42 o  189.792   12.762  466.395   60.132  719.589  181.379  435.130   63.736  213.970   35.168  182.583   14.088 31.38618 37.88453 
1 1 1  -10    7   43 o   43.909   16.077   21.518   23.028   10.873  159.013   21.746   23.273   79.808   36.326   44.129   16.162 35.67960 39.75928 
1 1 1  -10    7   44 f  232.306   24.449  780.319  139.701   0.0000   0.0000  780.319  139.701  ?   ?   232.306   24.449 0.000000 24.44878 
1 1 1  -10    7   45 o   95.983   15.963  126.017   36.918 -91.0171  195.424  134.048   37.595   73.404   35.432   99.185   15.701 -25.78091 38.75540 
1 1 1  -10    8    1 o  251.070   10.231  788.229   64.148  790.954   90.381  785.464   91.061  250.902   14.487  250.010   14.650 0.8921967 20.60290 
1 1 1  -10    8    2 o  314.895   11.698  1240.44   91.984  1320.40  130.041  1160.38  130.131  324.615   16.042  303.745   17.227 20.87003 23.53975 
1 1 1  -10    8    3 o  598.762   18.758  4497.90  280.479  4271.61  396.122  4725.42  397.196  581.963   27.257  612.378   25.974 -30.41583 37.65099 
1 1 1  -10    8    4 o  631.680   19.824  5008.54  312.715  4897.45  441.975  5119.90  442.517  622.906   28.413  637.039   27.817 -14.13239 39.76336 
1 1 1  -10    8    5 o  324.905   11.854  1320.53   96.177  1309.79  135.671  1331.39  136.362  322.832   16.888  325.496   16.834 -2.664581 23.84484 
1 1 1  -10    8    6 o  366.516   12.843  1680.96  117.546  1721.74  166.093  1640.05  166.378  370.547   17.950  361.134   18.511 9.412872 25.78493 
1 1 1  -10    8    7 o  340.846   12.341  1453.50  105.040  1526.02  148.518  1380.92  148.580  348.925   17.045  331.363   18.024 17.56219 24.80692 
1 1 1  -10    8    8 o  657.010   20.544  5420.02  337.064  5473.51  476.635  5366.50  476.724  658.422   28.989  651.880   29.285 6.542542 41.20655 
1 1 1  -10    8    9 o  317.168   11.606  1258.30   91.921  1314.11  129.993  1202.48  129.999  323.857   16.074  309.285   16.896 14.57175 23.32012 
1 1 1  -10    8   10 o  598.416   18.719  4492.52  279.722  4593.52  395.631  4391.57  395.542  603.726   26.242  590.179   26.838 13.54651 37.53608 
1 1 1  -10    8   11 o  393.643   13.385  1939.55  131.577  1930.26  185.931  1948.87  186.225  392.208   18.984  394.100   18.923 -1.892548 26.80395 
1 1 1  -10    8   12 o  576.164   18.364  4164.83  264.212  4075.84  373.400  4254.05  373.906  568.546   26.300  580.955   25.773 -12.40906 36.82336 
1 1 1  -10    8   13 o  246.333   10.071  758.785   61.950  755.029   87.356  762.584   87.867  245.118   14.334  246.344   14.346 -1.225769 20.27947 
1 1 1  -10    8   14 o  585.657   18.039  4304.42  263.826  4304.72  373.132  4304.13  373.082  584.184   25.578  584.144   25.576 0.3985596E-01 36.17120 
1 1 1  -10    8   15 o  359.376   12.707  1616.94  114.040  1574.16  160.866  1660.15  161.690  353.615   18.280  363.674   17.804 -10.05899 25.51730 
1 1 1  -10    8   16 o  411.060   14.060  2117.36  144.322  2102.91  203.869  2131.87  204.336  408.909   19.965  411.728   19.874 -2.819550 28.17061 
1 1 1  -10    8   17 o  404.055   14.066  2046.51  141.930  2053.75  200.600  2039.25  200.840  403.977   19.885  402.533   19.980 1.443451 28.18889 
1 1 1  -10    8   18 o  212.063   10.265  562.798   54.359  589.002   76.661  536.300   77.091  216.245   14.277  206.193   15.076 10.05254 20.76353 
1 1 1  -10    8   19 o  297.372   11.468  1107.68   85.163  1100.28  120.170  1115.14  120.709  295.448   16.352  297.448   16.313 -2.001038 23.09741 
1 1 1  -10    8   20 f  366.064   13.027  1680.86  119.079  1699.81  168.464  1661.94  168.343  366.827   18.449  362.659   18.652 4.167572 26.23488 
1 1 1  -10    8   21 o  218.157   10.013  596.048   54.549  620.953   77.365  571.426   76.925  221.908   14.034  212.754   14.567 9.153503 20.22685 
1 1 1  -10    8   22 o  169.938   13.488  365.046   56.769  377.946   75.496  348.260   86.116  172.166   17.818  164.399   21.491 7.767349 27.91677 
1 1 1  -10    8   23 f  154.213   11.663  300.126   44.582  263.511   84.737  314.141   52.424  141.705   24.852  157.521   13.456 -15.81575 28.26165 
1 1 1  -10    8   24 o  236.507   11.745  702.333   69.368  779.101  126.388  669.239   82.984  246.830   20.696  230.084   14.518 16.74559 25.28009 
1 1 1  -10    8   25 o  168.927   11.871  360.214   49.757  320.080   94.237  375.728   58.590  156.215   25.000  172.232   13.737 -16.01656 28.52568 
1 1 1  -10    8   26 o  173.240   11.941  378.910   51.343  354.847   97.711  388.088   60.346  164.706   24.503  174.992   13.925 -10.28668 28.18332 
1 1 1  -10    8   27 o  282.123   12.862  1001.56   90.615  1154.47  165.276  935.841  108.351  299.829   22.233  271.670   16.042 28.15945 27.41619 
1 1 1  -10    8   28 o  424.111   14.880  2270.08  157.587  2801.55  281.443  2027.36  190.197  466.474   24.244  399.431   19.068 67.04321 30.84467 
1 1 1  -10    8   29 o  469.956   21.602  2821.88  253.515  3122.86  365.729  2543.49  351.729  488.355   30.137  439.042   32.308 49.31396 44.18220 
1 1 1  -10    8   30 o  364.147   15.000  1674.73  136.403  1848.43  244.985  1596.70  164.210  377.402   26.156  354.004   18.641 23.39822 32.11908 
1 1 1  -10    8   31 o  154.932   11.681  303.549   44.860  502.132  103.502  257.615   49.779  197.104   21.371  142.198   14.209 54.90605 25.66296 
1 1 1  -10    8   32 o  238.352   12.588  717.489   74.661  787.019  148.613  694.016   86.349  245.918   24.527  233.886   14.861 12.03130 28.67847 
1 1 1  -10    8   33 o  215.816   12.942  589.253   69.427  585.898  142.602  590.295   79.483  210.370   27.828  215.562   14.856 -5.192291 31.54552 
1 1 1  -10    8   34 o  206.896   13.616  542.946   69.957  474.321  145.440  563.603   79.795  186.679   32.372  210.389   15.293 -23.70952 35.80261 
1 1 1  -10    8   35 o  144.926   13.397  267.718   47.937   0.0000   0.0000  267.718   47.937  ?   ?   144.926   13.397 0.000000 13.39736 
1 1 1  -10    8   36 o  126.386   21.406  211.879   65.149  146.720  121.760  238.015   77.116  105.923   37.187  133.192   24.071 -27.26952 44.29787 
1 1 1  -10    8   37 o   88.964   16.409  104.329   35.111   0.0000   0.0000  104.329   35.111  ?   ?    88.964   16.409 0.000000 16.40913 
1 1 1  -10    8   38 o  171.385   12.969  375.680   55.096  290.496  139.704  391.370   59.955  138.635   38.815  174.656   13.860 -36.02066 41.21557 
1 1 1  -10    8   39 o   95.001   15.302  118.821   35.070  179.822  128.937  113.947   36.444  110.335   38.294   92.669   16.346 17.66583 41.63629 
1 1 1  -10    8   40 o  183.117   15.857  437.817   71.796  633.744  158.464  387.209   80.536  208.665   31.383  170.374   19.268 38.29022 36.82557 
1 1 1  -10    8   41 o  174.874   13.372  395.918   57.953  474.596  161.393  384.271   62.095  171.679   38.585  171.676   14.624 0.3524780E-02 41.26338 
1 1 1  -10    8   42 o  196.882   13.571  503.447   66.315  475.588  184.121  507.599   71.086  163.151   44.128  197.137   14.543 -33.98549 46.46228 
1 1 1  -10    8   43 o   45.179   16.534   22.846   24.349 -39.4056  161.149   24.300   24.632   75.503   35.149   46.024   16.662 29.47974 38.89796 
1 1 1  -10    8   44 o   77.651   16.478   82.821   30.963  138.770  177.703   81.069   31.444   96.133   41.258   76.659   16.882 19.47485 44.57794 
1 1 1  -10    8   45 o   98.367   27.403  151.168   69.816   0.0000   0.0000  151.168   69.816  ?   ?    98.367   27.403 0.000000 27.40342 
1 1 1  -10    9    1 o  255.251   10.276  814.810   65.502  801.533   92.218  828.330   93.054  252.526   14.687  256.740   14.574 -4.213516 20.69113 
1 1 1  -10    9    2 o  619.562   19.326  4819.48  299.009  4788.07  422.635  4850.96  423.091  615.800   27.484  619.869   27.333 -4.069031 38.76123 
1 1 1  -10    9    3 o  519.526   16.167  3382.88  209.742  3275.37  296.214  3490.99  297.028  510.169   23.251  526.812   22.578 -16.64270 32.40965 
1 1 1  -10    9    4 o  317.539   11.395  1261.31   90.355  1167.88  127.316  1356.12  128.251  304.762   16.794  328.989   15.611 -24.22675 22.92897 
1 1 1  -10    9    5 o  414.236   14.022  2148.45  145.043  2102.58  204.752  2194.65  205.492  409.198   20.038  418.102   19.682 -8.904816 28.08686 
1 1 1  -10    9    6 o  540.788   17.142  3666.63  231.500  3662.40  327.177  3670.86  327.603  539.357   24.292  539.979   24.295 -0.6218872 34.35601 
1 1 1  -10    9    7 o  153.393   9.2491  295.205   35.263  284.897   49.474  305.850   50.274  150.281   13.321  155.782   13.043 -5.500946 18.64377 
1 1 1  -10    9    8 o  294.470   11.097  1084.56   81.598  1036.48  114.920  1133.45  115.881  287.149   16.091  300.390   15.501 -13.24100 22.34291 
1 1 1  -10    9    9 o  637.211   19.950  5098.35  317.457  5252.65  449.024  4944.15  448.879  645.062   27.875  625.620   28.732 19.44189 40.03199 
1 1 1  -10    9   10 o  184.856   9.4595  428.329   43.521  451.969   61.312  404.323   61.786  189.582   13.030  179.165   13.919 10.41698 19.06610 
1 1 1  -10    9   11 o  193.082   9.7739  467.327   46.972  492.427   66.060  441.659   66.804  197.875   13.449  187.242   14.398 10.63225 19.70177 
1 1 1  -10    9   12 o  227.103   9.7702  644.904   55.409  608.802   77.721  682.218   79.014  220.023   14.222  233.026   13.638 -13.00307 19.70408 
1 1 1  -10    9   13 o  431.396   20.707  2339.40  223.073   0.0000   0.0000  2339.40  223.073  ?   ?   431.396   20.707 0.000000 20.70711 
1 1 1  -10    9   14 o  192.787   13.717  467.848   65.608  467.848   65.608   0.0000   0.0000  192.787   13.717  ?   ?  0.000000 13.71744 
1 1 1  -10    9   15 o  543.346   17.552  3706.49  238.147  3616.30  336.477  3797.02  337.106  535.143   25.179  548.489   24.612 -13.34552 35.20971 
1 1 1  -10    9   16 o  431.388   14.674  2333.25  158.081  2331.61  223.312  2334.91  223.809  430.340   20.780  430.639   20.812 -0.2993469 29.41015 
1 1 1  -10    9   17 o  249.146   10.793  776.947   67.147  757.515   94.527  796.740   95.401  245.208   15.517  251.537   15.260 -6.329269 21.76365 
1 1 1  -10    9   18 o  373.049   13.319  1744.72  124.074  1698.39  175.170  1791.38  175.765  366.770   19.192  377.264   18.657 -10.49432 26.76601 
1 1 1  -10    9   19 o  357.010   12.448  1597.68  110.975  1590.18  156.667  1605.23  157.218  355.466   17.649  357.148   17.628 -1.681824 24.94489 
1 1 1  -10    9   20 o  520.148   17.079  3405.89  221.843  3308.38  313.380  3503.85  314.089  510.421   24.586  525.513   23.934 -15.09274 34.31220 
1 1 1  -10    9   21 o  104.735   10.162  138.688   26.244  133.271   36.557  144.449   37.698  101.925   14.795  106.231   14.597 -4.305656 20.78346 
1 1 1  -10    9   22 o  215.523   13.529  585.919   72.443  503.497   96.965  690.041  108.985  198.512   19.825  232.905   18.902 -34.39279 27.39200 
1 1 1  -10    9   23 o  233.540   15.275  689.905   88.594  831.773  121.987  531.557  128.877  255.609   19.253  202.172   26.139 53.43651 32.46424 
1 1 1  -10    9   24 o   82.366   11.409   86.757   22.837   87.034   32.286   86.481   32.306   81.618   16.410   81.343   16.469 0.2753601 23.24932 
1 1 1  -10    9   25 o  321.235   14.274  1299.91  114.500  1262.11  202.408  1317.70  138.852  312.291   26.197  322.311   17.315 -10.02020 31.40195 
1 1 1  -10    9   26 f  196.699   11.540  487.655   56.435  534.355  106.896  469.609   66.451  203.734   21.327  192.601   13.910 11.13269 25.46237 
1 1 1  -10    9   27 o  223.907   12.026  632.023   66.997  642.119  125.331  627.984   79.273  222.973   22.831  222.742   14.328 0.2311707 26.95440 
1 1 1  -10    9   28 o  328.004   13.468  1355.16  110.311  1626.67  199.855  1236.20  132.286  355.886   22.605  312.014   17.043 43.87158 28.31001 
1 1 1  -10    9   29 o  324.778   14.093  1330.03  114.298  1420.12  206.333  1290.15  137.286  331.224   25.133  318.629   17.319 12.59573 30.52252 
1 1 1  -10    9   30 o  279.116   17.092  990.706  118.558  885.268  178.129  1074.56  158.855  259.871   27.885  288.980   22.182 -29.10913 35.63168 
1 1 1  -10    9   31 o  316.462   14.721  1264.67  116.336  1231.73  211.902  1278.88  139.189  306.735   27.972  316.989   17.654 -10.25449 33.07696 
1 1 1  -10    9   32 o  196.342   12.150  487.029   59.281  525.332  124.943  475.901   67.344  200.124   25.587  193.703   14.017 6.421432 29.17484 
1 1 1  -10    9   33 o  295.687   13.211  1102.60   97.551  1281.94  187.331  1035.87  114.266  314.417   24.041  285.483   16.094 28.93423 28.93080 
1 1 1  -10    9   34 o  100.510   15.501  130.856   37.655   13.200  107.331  147.370   40.211   76.044   32.334  106.783   15.535 -30.73944 35.87238 
1 1 1  -10    9   35 f  171.535   13.275  373.974   56.423  311.100  130.286  388.488   62.597  148.829   35.545  174.562   14.491 -25.73312 38.38525 
1 1 1  -10    9   36 o  103.708   27.917  147.448   73.898   0.0000   0.0000  147.448   73.898  ?   ?   103.708   27.917 0.000000 27.91668 
1 1 1  -10    9   37 o   59.737   24.010   25.365   54.796 -21.0555  112.169   39.916   62.800   70.890   31.529   66.671   26.049 4.219048 40.89818 
1 1 1  -10    9   38 o  101.081   14.953  133.268   36.606  180.072  124.574  128.844   38.297  112.097   37.672   99.053   16.030 13.04478 40.94050 
1 1 1  -10    9   39 o   92.068   15.681  111.911   34.761 -14.6633  130.064  121.648   36.073   75.456   33.727   96.115   15.561 -20.65917 37.14396 
1 1 1  -10    9   40 o  200.323   13.248  516.280   65.900  495.235  165.817  520.228   71.815  178.395   38.361  200.542   14.437 -22.14691 40.98807 
1 1 1  -10    9   41 o  218.019   17.197  626.668   92.866  654.654  181.208  616.700  108.147  205.329   36.687  213.936   20.494 -8.606705 42.02336 
1 1 1  -10    9   42 o  171.522   14.026  383.227   59.549  292.254  170.254  395.908   63.564  127.460   44.017  173.965   14.771 -46.50500 46.42907 
1 1 1  -10    9   43 o   94.295   15.530  119.156   35.296  203.669  164.852  115.095   36.134  108.848   42.295   92.349   16.263 16.49853 45.31374 
1 1 1  -10    9   44 o  145.773   13.759  279.140   49.492  357.300  188.104  273.327   51.300  132.111   46.230  143.860   14.476 -11.74886 48.44348 
1 1 1  -10    9   45 o  137.820   14.619  252.844   49.544   67.154  203.281  264.570   51.084   88.287   40.519  140.942   14.732 -52.65499 43.11420 
1 1 1  -10   10    1 o  376.529   12.940  1775.26  121.672  1720.04  171.614  1831.08  172.529  369.594   18.654  381.880   18.092 -12.28690 25.98664 
1 1 1  -10   10    2 o  309.777   11.383  1200.73   88.052  1173.56  124.072  1228.30  124.982  305.477   16.324  312.575   16.066 -7.097656 22.90383 
1 1 1  -10   10    3 o  499.160   16.101  3123.92  200.696  3007.00  283.439  3241.47  284.216  488.639   23.228  507.479   22.427 -18.83978 32.28856 
1 1 1  -10   10    4 o  423.367   14.164  2245.00  149.740  2250.68  211.514  2239.30  212.016  423.243   20.012  422.158   20.111 1.084717 28.37194 
1 1 1  -10   10    5 o  411.156   13.639  2116.78  140.031  2008.87  197.395  2226.10  198.679  399.911   19.766  421.088   18.894 -21.17621 27.34392 
1 1 1  -10   10    6 o  192.334   9.3174  462.496   44.751  426.516   62.632  500.023   63.964  184.053   13.726  199.450   12.912 -15.39758 18.84436 
1 1 1  -10   10    7 o  176.178   9.2854  389.130   40.707  372.447   56.977  406.524   58.178  171.963   13.374  179.738   13.051 -7.774597 18.68631 
1 1 1  -10   10    8 o  565.781   17.947  4016.38  253.565  3890.51  358.153  4142.87  359.040  555.401   25.823  573.294   25.079 -17.89319 35.99734 
1 1 1  -10   10    9 o  383.707   13.325  1843.31  127.675  1876.03  180.348  1810.43  180.771  386.594   18.681  379.248   19.150 7.345520 26.75260 
1 1 1  -10   10   10 o  708.930   22.034  6322.41  390.073  6234.27  551.436  6410.69  551.856  701.246   31.490  711.241   31.071 -9.995056 44.23855 
1 1 1  -10   10   11 o  604.290   19.128  4585.90  288.646  4605.25  408.015  4566.50  408.400  603.823   27.059  601.241   27.201 2.581909 38.36797 
1 1 1  -10   10   12 o  307.805   11.186  1185.39   85.977  1155.90  121.492  1214.97  121.690  303.197   16.104  310.918   15.724 -7.721405 22.50753 
1 1 1  -10   10   13 o  243.436   11.759  741.680   71.486  704.732   86.358  822.112  127.415  236.688   14.683  254.930   20.180 -18.24214 24.95634 
1 1 1  -10   10   14 o  373.085   13.112  1743.37  122.156  1724.40  172.404  1762.48  173.109  369.988   18.721  374.547   18.508 -4.558685 26.32522 
1 1 1  -10   10   15 o  210.088   9.7882  552.111   51.351  569.303   72.291  534.601   72.958  212.711   13.682  206.028   14.268 6.682587 19.76833 
1 1 1  -10   10   16 o  354.145   12.427  1570.99  109.904  1514.98  154.952  1627.70  155.908  346.716   17.958  359.934   17.346 -13.21768 24.96745 
1 1 1  -10   10   17 o  328.742   12.247  1353.93  100.540  1349.76  141.942  1358.12  142.429  327.217   17.434  328.231   17.439 -1.014679 24.65901 
1 1 1  -10   10   18 o  259.903   11.035  845.935   71.620  836.675  100.858  855.354  101.720  257.605   15.754  260.482   15.711 -2.877228 22.24963 
1 1 1  -10   10   19 o  194.541   9.9978  475.055   48.406  470.893   67.956  479.342   68.967  193.167   14.187  194.889   14.270 -1.722107 20.12254 
1 1 1  -10   10   20 o  467.100   15.167  2742.80  176.910  2663.08  249.863  2822.93  250.514  458.604   21.818  472.340   21.239 -13.73566 30.44837 
1 1 1  -10   10   21 o  199.434   10.365  499.691   51.442  506.713   72.572  492.600   72.930  200.230   14.615  197.360   14.908 2.870453 20.87669 
1 1 1  -10   10   22 o  130.773   13.678  217.258   44.007  232.389   56.430  193.772   70.301  134.662   17.172  121.299   24.058 13.36236 29.55801 
1 1 1  -10   10   23 o  129.624   13.150  213.337   41.976  170.864   52.354  289.781   70.238  114.730   18.934  150.105   19.176 -35.37523 26.94860 
1 1 1  -10   10   24 o  349.660   12.073  1535.87  105.415  1545.07  149.237  1526.71  148.922  349.642   17.092  347.543   17.159 2.099670 24.21964 
1 1 1  -10   10   25 o  168.666   10.185  358.109   42.698  409.886   60.937  308.170   59.846  179.940   13.663  155.512   15.622 24.42711 20.75402 
1 1 1  -10   10   26 o  329.276   13.935  1365.80  114.582  1497.86  203.965  1304.91  138.503  341.064   24.103  320.622   17.363 20.44183 29.70616 
1 1 1  -10   10   27 o  173.854   12.220  381.888   52.714  356.876  100.907  391.275   61.820  164.850   25.322  175.626   14.218 -10.77652 29.04053 
1 1 1  -10   10   28 o  166.258   12.783  349.878   52.665  307.266  102.263  365.259   61.439  151.844   28.001  169.541   14.656 -17.69656 31.60458 
1 1 1  -10   10   29 o  307.262   14.193  1190.59  108.902  1170.16  196.631  1199.64  130.794  299.886   26.531  307.282   17.113 -7.395844 31.57111 
1 1 1  -10   10   30 o  475.372   22.879  2896.60  271.596  2911.42  390.758  2882.75  377.762  468.616   33.615  467.105   32.590 1.511047 46.81964 
1 1 1  -10   10   31 o  699.838   32.244  6448.13  563.505  6564.25  802.809  6335.35  791.153  685.120   47.212  672.757   47.395 12.36359 66.89780 
1 1 1  -10   10   32 o  135.192   13.040  232.387   43.477  282.082  103.345  221.701   47.924  144.529   29.629  131.663   14.835 12.86694 33.13519 
1 1 1  -10   10   33 o  218.719   13.137  605.288   71.418  610.932  144.395  603.460   82.172  215.089   27.514  217.903   15.196 -2.814087 31.43175 
1 1 1  -10   10   34 o  330.803   14.090  1382.98  116.394  1640.44  220.924  1284.06  136.941  354.898   25.090  317.324   17.347 37.57318 30.50275 
1 1 1  -10   10   35 o  137.289   13.011  240.094   44.075  378.747  121.312  219.009   47.308  166.933   30.214  130.686   14.755 36.24727 33.62374 
1 1 1  -10   10   36 o   57.719   18.424   41.993   29.964   0.0000   0.0000   41.993   29.964  ?   ?    57.719   18.424 0.000000 18.42373 
1 1 1  -10   10   37 f  145.931   26.538  289.973   93.146   0.0000   0.0000  289.973   93.146  ?   ?   145.931   26.538 0.000000 26.53773 
1 1 1  -10   10   38 f   74.124   17.355   73.499   31.557  148.108  121.384   68.091   32.681  104.458   37.084   71.257   18.277 33.20017 41.34362 
1 1 1  -10   10   39 o  136.250   13.713  239.435   46.025  293.099  138.542  232.778   48.796  138.203   38.639  133.962   14.836 4.241730 41.38916 
1 1 1  -10   10   40 o  211.589   13.208  575.258   69.439  659.158  170.977  558.686   75.988  211.782   33.439  207.790   14.740 3.991745 36.54395 
1 1 1  -10   10   41 o  265.933   13.805  913.204   91.364  1162.40  209.038  854.358  101.580  283.793   29.949  255.766   15.984 28.02638 33.94764 
1 1 1  -10   10   42 o   73.011   19.077   73.578   35.167   53.448  150.790   74.736   36.164   85.987   37.453   73.516   19.412 12.47134 42.18520 
1 1 1  -10   10   43 o  155.231   13.517  314.078   51.875  298.343  178.277  315.534   54.221  126.189   44.927  155.292   14.137 -29.10345 47.09861 
1 1 1  -10   10   44 o   90.158   16.688  110.683   36.188   32.563  179.366  113.998   36.948   85.034   38.657   91.484   16.792 -6.449417 42.14647 
1 1 1  -10   10   45 o  178.304   14.571  420.777   64.312  154.123  219.665  445.777   67.260   98.597   43.968  183.380   14.814 -84.78297 46.39678 
1 1 1  -10   10   46 o   79.016   17.390   87.531   33.382  230.718  215.846   84.022   33.789  103.205   44.882   77.172   17.883 26.03271 48.31380 
1 1 1  -10   11    1 o  201.195   13.597  509.574   67.913  385.732   92.612  653.636   99.886  173.614   21.845  227.413   17.729 -53.79897 28.13422 
1 1 1  -10   11    2 o  482.035   22.535  2929.08  271.259  3055.68  383.192  2801.91  384.045  489.161   31.538  467.796   33.089 21.36490 45.71151 
1 1 1  -10   11    3 o  478.222   15.544  2868.03  185.622  2784.22  262.095  2952.37  262.926  470.091   22.327  484.190   21.745 -14.09915 31.16638 
1 1 1  -10   11    4 o  546.406   17.105  3747.00  233.399  3558.22  329.481  3937.16  330.673  530.954   24.850  558.784   23.698 -27.83038 34.33784 
1 1 1  -10   11    5 o  127.680   9.3310  204.938   29.545  203.264   40.977  206.751   42.639  126.728   13.139  127.765   13.572 -1.036919 18.89017 
1 1 1  -10   11    6 o  299.132   11.202  1119.61   83.678  1089.38  117.744  1150.46  118.941  294.302   16.082  302.500   15.800 -8.198212 22.54517 
1 1 1  -10   11    7 o  335.893   12.006  1412.12  100.709  1379.18  141.981  1445.47  142.870  331.087   17.232  339.439   16.855 -8.352448 24.10477 
1 1 1  -10   11    8 o  638.287   19.331  5118.77  308.123  4941.15  435.315  5297.10  436.190  625.015   27.891  647.403   26.981 -22.38837 38.80530 
1 1 1  -10   11    9 o  481.738   15.815  2909.86  190.248  2948.91  268.954  2870.77  269.147  483.963   22.254  477.450   22.574 6.512207 31.69937 
1 1 1  -10   11   10 o  514.717   16.725  3323.80  214.980  3374.12  303.897  3273.39  304.158  517.393   23.521  509.533   23.904 7.860413 33.53584 
1 1 1  -10   11   11 o  360.565   12.821  1627.94  115.442  1637.07  162.833  1618.72  163.689  360.609   18.140  358.542   18.344 2.066925 25.79840 
1 1 1  -10   11   12 o  600.673   22.156  4545.19  332.343  4813.12  575.541  4411.16  407.069  611.881   37.853  590.309   27.615 21.57294 46.85497 
1 1 1  -10   11   13 o  823.028   25.450  8561.63  523.056  8734.35  739.537  8388.74  739.888  826.370   35.837  809.439   36.604 16.93073 51.22675 
1 1 1  -10   11   14 o  337.697   11.554  1427.68   97.433  1250.48  137.031  1608.86  138.563  315.030   17.488  358.106   15.495 -43.07666 23.36452 
1 1 1  -10   11   15 o  471.681   15.518  2792.05  182.782  2726.02  258.083  2858.50  258.905  464.832   22.234  476.093   21.777 -11.26089 31.12199 
1 1 1  -10   11   16 o  439.245   14.817  2420.93  162.529  2309.48  229.337  2533.38  230.368  427.314   21.562  448.305   20.578 -20.99118 29.80515 
1 1 1  -10   11   17 o  244.256   10.813  747.043   65.952  765.984   92.871  727.773   93.673  246.539   15.158  240.205   15.703 6.334366 21.82571 
1 1 1  -10   11   18 o  228.243   10.303  652.269   58.721  665.864   82.588  638.368   83.508  229.852   14.462  224.964   14.950 4.887268 20.80056 
1 1 1  -10   11   19 o  200.411   10.102  504.225   50.392  501.494   70.780  507.032   71.762  199.321   14.316  200.406   14.436 -1.085220 20.33065 
1 1 1  -10   11   20 o  242.742   9.4685  737.789   57.395  663.591   80.431  814.774   81.927  229.394   14.109  254.459   12.936 -25.06476 19.14169 
1 1 1  -10   11   21 o  182.813   9.5635  419.736   43.507  376.952   60.964  464.142   62.109  172.571   14.275  191.806   13.045 -19.23561 19.33741 
1 1 1  -10   11   22 o  280.445   15.168  993.276  105.829  876.688  144.653  1127.55  155.238  261.644   22.354  297.349   21.042 -35.70499 30.69986 
1 1 1  -10   11   23 o  392.370   20.088  1958.35  196.167  2169.91  274.839  1738.66  280.078  410.095   26.988  364.988   31.023 45.10690 41.11953 
1 1 1  -10   11   24 o  346.801   12.717  1512.08  110.134  1469.22  155.490  1555.24  156.017  340.107   18.376  350.097   17.906 -9.989868 25.65711 
1 1 1  -10   11   25 o  369.861   13.673  1722.31  126.281  1708.93  178.438  1735.74  178.739  366.335   19.576  369.250   19.453 -2.914795 27.59798 
1 1 1  -10   11   26 o  279.777   13.390  985.456   93.549  1020.28  113.733  912.606  164.489  283.714   16.120  265.424   25.115 18.28995 29.84329 
1 1 1  -10   11   27 o  326.156   14.298  1341.17  116.453  1341.96  207.508  1340.81  140.699  321.722   26.052  324.913   17.404 -3.191711 31.33102 
1 1 1  -10   11   28 o   88.368   14.883  101.168   31.674   93.045   73.358  103.030   35.116   86.545   28.909   88.893   16.424 -2.348030 33.24925 
1 1 1  -10   11   29 o  204.246   12.746  527.072   64.686  476.759  122.156  546.678   76.254  190.520   26.384  207.605   14.806 -17.08478 30.25421 
1 1 1  -10   11   30 o  343.931   15.586  1495.20  133.863  1397.98  238.757  1539.78  161.663  326.240   29.630  347.617   18.692 -21.37680 35.03313 
1 1 1  -10   11   31 o  314.809   18.163  1262.76  142.180  1147.81  211.187  1358.06  192.285  295.530   28.990  324.168   23.922 -28.63837 37.58557 
1 1 1  -10   11   32 o  134.323   13.877  229.985   45.878  165.625  106.045  244.805   50.886  111.247   34.546  138.405   14.961 -27.15748 37.64664 
1 1 1  -10   11   33 o  146.415   13.098  272.371   47.382  311.690  111.904  263.782   52.302  151.606   30.613  143.726   14.783 7.880066 33.99528 
1 1 1  -10   11   34 o  268.331   13.636  911.484   91.069  1125.14  180.724  838.763  105.434  293.752   24.870  256.539   16.546 37.21344 29.87151 
1 1 1  -10   11   35 o  167.437   13.348  356.418   55.349  403.966  132.620  346.389   60.906  171.716   32.108  164.671   14.975 7.045105 35.42871 
1 1 1  -10   11   36 o  340.531   19.722  1495.70  166.990  1605.87  248.692  1405.24  225.347  346.614   28.998  324.796   28.059 21.81775 40.35134 
1 1 1  -10   11   37 o  180.034   13.175  413.078   58.819  373.432  146.911  420.646   64.188  160.514   37.353  181.364   14.288 -20.85019 39.99261 
1 1 1  -10   11   38 o   73.113   27.373   58.781   67.423   0.0000   0.0000   58.781   67.423  ?   ?    73.113   27.373 0.000000 27.37321 
1 1 1  -10   11   39 o  123.591   13.691  197.306   41.543  429.773  137.324  173.887   43.586  172.344   33.111  115.379   15.521 56.96481 36.56855 
1 1 1  -10   11   40 o  129.304   13.662  216.501   43.445  497.811  145.502  188.966   45.522  184.354   32.808  120.072   15.547 64.28220 36.30542 
1 1 1  -10   11   41 o   87.158   16.490  101.908   34.576  182.206  143.636   96.969   35.624  108.715   40.101   84.668   17.430 24.04723 43.72463 
1 1 1  -10   11   42 o  137.848   14.423  248.535   48.912  299.265  164.083  243.587   51.242  130.564   43.220  136.051   15.351 -5.486740 45.86538 
1 1 1  -10   11   43 o  132.838   17.445  236.788   56.468  278.187  175.279  231.994   59.648  123.129   44.467  130.754   18.809 -7.625237 48.28127 
1 1 1  -10   11   44 o  129.350   14.498  220.886   46.023  166.610  184.921  224.470   47.518  102.194   42.893  130.221   14.880 -28.02681 45.40058 
1 1 1  -10   11   45 o   52.471   17.851   35.461   27.977  205.022  189.052   31.665   28.288  104.911   43.649   50.659   17.911 54.25208 47.18135 
1 1 1  -10   11   46 o  182.393   14.047  440.626   63.488  686.909  238.602  421.860   65.863  170.597   51.607  177.759   14.977 -7.161942 53.73593 
1 1 1  -10   12    1 o   62.808   13.136   51.302   19.941   57.103   26.546   43.788   30.209   66.118   16.204   59.204   18.447 6.914032 24.55334 
1 1 1  -10   12    2 o  549.605   17.438  3797.20  239.333  3635.06  337.815  3960.60  339.124  535.764   25.250  559.539   24.270 -23.77533 35.02279 
1 1 1  -10   12    3 o  300.489   16.395  1137.19  122.560  1223.55  172.367  1048.87  174.300  310.606   22.372  286.983   24.558 23.62308 33.22079 
1 1 1  -10   12    4 o  218.080   14.323  598.849   77.565  646.787  108.007  547.794  111.462  225.927   19.330  207.330   21.858 18.59714 29.17913 
1 1 1  -10   12    5 o  352.271   17.910  1563.28  157.034  1539.34  220.667  1587.85  223.518  347.960   25.575  353.448   25.495 -5.487610 36.11216 
1 1 1  -10   12    6 f  286.489   11.157  1027.28   79.820  1048.27  112.478  1005.99  113.291  288.643   15.663  282.681   16.116 5.962585 22.47346 
1 1 1  -10   12    7 o  628.487   19.644  4968.45  308.305  4836.22  435.475  5101.32  436.546  617.650   28.234  634.583   27.548 -16.93213 39.44675 
1 1 1  -10   12    8 o  296.453   11.291  1099.99   83.586  1036.03  117.605  1165.28  118.820  286.843   16.488  304.380   15.686 -17.53711 22.75704 
1 1 1  -10   12    9 o  254.962   10.441  813.357   66.477  811.721   93.500  815.029   94.533  254.011   14.805  254.513   14.939 -0.5018311 21.03232 
1 1 1  -10   12   10 o  382.152   13.204  1829.63  126.011  1752.40  177.583  1907.96  178.836  372.828   19.139  389.630   18.380 -16.80264 26.53521 
1 1 1  -10   12   11 o  463.773   22.118  2711.66  256.160   0.0000   0.0000  2711.66  256.160  ?   ?   463.773   22.118 0.000000 22.11849 
1 1 1  -10   12   12 f  460.709   21.413  2674.99  246.357  2674.99  246.357   0.0000   0.0000  460.709   21.413  ?   ?  0.000000 21.41349 
1 1 1  -10   12   13 o  508.000   16.668  3241.17  211.445  3339.12  298.975  3143.14  299.083  514.186   23.284  498.688   24.017 15.49817 33.45082 
1 1 1  -10   12   14 o  636.234   19.937  5098.80  316.760  5462.39  448.262  4736.17  447.670  655.999   27.364  610.074   29.385 45.92493 40.15292 
1 1 1  -10   12   15 o  206.818   9.8201  535.278   50.717  529.352   71.194  541.383   72.268  204.963   13.993  207.281   14.044 -2.318939 19.82577 
1 1 1  -10   12   16 o  265.814   10.969  884.857   72.808  882.334  102.560  887.420  103.377  264.581   15.592  265.333   15.672 -0.7514954 22.10657 
1 1 1  -10   12   17 o  157.673   9.8745  312.425   38.684  320.343   53.911  304.022   55.539  159.200   13.694  154.939   14.524 4.260742 19.96180 
1 1 1  -10   12   18 o  213.366   10.162  570.105   54.147  579.887   76.065  560.055   77.097  214.413   14.288  210.628   14.751 3.785431 20.53638 
1 1 1  -10   12   19 o  203.425   9.8942  518.257   50.261  525.399   70.544  510.894   71.629  204.053   13.927  201.137   14.355 2.915802 20.00108 
1 1 1  -10   12   20 o  471.299   15.789  2796.70  185.828  2839.39  262.647  2753.91  262.954  472.950   22.239  465.646   22.614 7.303497 31.71648 
1 1 1  -10   12   21 o  273.483   12.660  939.314   86.457  952.828  146.488  932.090  107.100  273.110   21.657  271.530   15.864 1.579865 26.84543 
1 1 1  -10   12   22 o  174.530   13.997  385.656   60.491  416.541   79.919  344.226   92.563  180.655   17.953  162.735   23.455 17.92017 29.53720 
1 1 1  -10   12   23 o  231.675   14.157  678.221   81.508  605.794  109.222  769.250  122.448  217.496   20.346  245.354   20.164 -27.85759 28.64503 
1 1 1  -10   12   24 o  389.597   14.089  1911.71  137.070  1900.48  193.609  1922.99  194.086  386.217   20.144  388.531   20.073 -2.313995 28.43763 
1 1 1  -10   12   25 o  184.318   10.492  427.675   48.093  412.469   67.626  443.235   68.408  180.194   15.170  186.918   14.776 -6.723999 21.17679 
1 1 1  -10   12   26 o  224.429   11.179  632.586   62.654  643.073   88.372  621.987   88.843  225.089   15.823  221.264   16.191 3.824799 22.63892 
1 1 1  -10   12   27 o  234.561   11.179  691.098   65.480  675.750   92.561  706.474   92.644  230.645   16.173  235.940   15.816 -5.294815 22.62073 
1 1 1  -10   12   28 o  410.123   16.923  2129.76  173.313  2013.21  303.818  2185.98  211.014  391.104   31.372  414.197   20.401 -23.09225 37.42197 
1 1 1  -10   12   29 o   80.843   16.675   85.693   32.546   7.6011   78.042  102.133   35.808   65.316   27.663   88.402   16.836 -23.08566 32.38314 
1 1 1  -10   12   30 o  267.355   13.626  903.222   90.672  821.654  165.505  938.203  108.384  250.674   26.858  271.881   16.035 -21.20689 31.28010 
1 1 1  -10   12   31 o  210.735   15.323  564.195   80.085  582.480  130.906  553.258  101.241  211.095   25.339  207.491   19.779 3.604050 32.14464 
1 1 1  -10   12   32 o  286.319   16.444  1041.98  117.081  1152.14  180.883  962.544  153.599  297.997   24.525  272.953   22.742 25.04370 33.44627 
1 1 1  -10   12   33 o  118.869   14.152  180.873   41.182  353.079  108.991  152.193   44.479  162.600   27.844  108.271   17.012 54.32986 32.62936 
1 1 1  -10   12   34 o  198.161   12.971  497.403   63.832  564.576  139.865  479.731   71.738  206.192   27.878  194.146   14.911 12.04614 31.61547 
1 1 1  -10   12   35 o  363.105   18.031  1682.42  163.492   0.0000   0.0000  1682.42  163.492  ?   ?   363.105   18.031 0.000000 18.03074 
1 1 1  -10   12   36 o  190.052   13.627  459.668   64.242  450.960  143.259  461.860   71.874  180.435   33.011  190.051   15.273 -9.615707 36.37291 
1 1 1  -10   12   37 o  108.302   15.535  152.432   40.812  192.408  122.912  147.478   43.267  116.607   37.324  106.127   16.892 10.48100 40.96877 
1 1 1  -10   12   38 o   88.236   17.762  103.697   37.782   0.0000   0.0000  103.697   37.782  ?   ?    88.236   17.762 0.000000 17.76180 
1 1 1  -10   12   39 o  215.618   19.349  611.025  103.074  640.320  177.082  596.013  126.761  209.706   35.053  209.747   24.673 -0.4171753E-01 42.86530 
1 1 1  -10   12   40 f  163.257   13.374  343.286   54.044  433.154  152.973  330.470   57.769  168.119   37.402  159.673   14.652 8.446030 40.16972 
1 1 1  -10   12   41 o  159.659   13.303  329.391   52.555  597.307  165.831  299.479   55.411  198.961   34.635  151.566   14.830 47.39513 37.67663 
1 1 1  -10   12   42 o  300.723   15.372  1179.48  115.051  1163.76  247.834  1183.79  129.896  272.414   37.420  299.449   17.447 -27.03519 41.28746 
1 1 1  -10   12   43 o  138.455   14.449  251.433   49.221  296.509  180.412  247.808   51.161  126.542   45.180  137.098   15.200 -10.55611 47.66817 
1 1 1  -10   12   44 o  164.309   17.940  363.824   72.412  325.353  197.777  369.779   77.815  127.193   47.027  164.751   19.278 -37.55810 50.82543 
1 1 1  -10   12   45 o  107.214   16.048  155.147   41.646   45.805  196.612  160.283   42.612   87.261   39.975  108.953   16.151 -21.69154 43.11423 
1 1 1  -10   12   46 o  153.543   14.391  313.350   54.537  484.763  227.824  302.930   56.170  139.655   50.655  150.462   15.156 -10.80708 52.87409 
1 1 1  -10   13    1 o  259.125   10.630  841.056   68.786  855.178   96.534  826.489   98.041  260.474   14.903  255.969   15.410 4.505188 21.43737 
1 1 1  -10   13    2 o  356.550   12.762  1594.20  113.631  1607.51  160.199  1580.72  161.202  356.825   18.037  353.772   18.310 3.052856 25.70189 
1 1 1  -10   13    3 o  302.973   11.435  1149.91   86.518  1132.48  121.632  1167.76  123.091  299.721   16.312  304.378   16.253 -4.657104 23.02736 
1 1 1  -10   13    4 o  205.578   9.4928  528.835   48.733  481.222   67.936  579.307   69.946  195.358   14.019  214.555   13.118 -19.19710 19.19917 
1 1 1  -10   13    5 o  375.858   12.913  1770.78  121.204  1672.80  170.777  1870.21  172.045  364.036   18.851  385.581   17.868 -21.54492 25.97327 
1 1 1  -10   13    6 o  432.632   20.771  2360.04  224.399  2417.23  316.335  2302.11  318.371  434.822   29.304  423.964   30.270 10.85782 42.13092 
1 1 1  -10   13    7 o  783.713   34.888  7878.37  682.776  7975.88  964.963  7780.61  966.221  776.387   50.038  766.143   50.791 10.24469 71.29884 
1 1 1  -10   13    8 o  406.785   19.532  2083.62  198.411  1951.03  278.598  2220.07  282.636  390.722   28.756  417.390   27.266 -26.66769 39.62755 
1 1 1  -10   13    9 o  281.727   11.059  993.703   77.803  1012.50  109.841  974.780  110.220  283.581   15.570  278.179   15.933 5.402252 22.27776 
1 1 1  -10   13   10 o  506.186   15.998  3217.49  202.221  2954.98  285.147  3483.10  286.827  483.478   23.618  525.371   21.863 -41.89212 32.18353 
1 1 1  -10   13   11 o  240.214   10.326  722.213   61.940  649.693   86.460  798.674   88.779  226.994   15.343  251.948   14.168 -24.95430 20.88406 
1 1 1  -10   13   12 o  484.039   15.709  2942.15  189.878  3110.42  268.464  2773.71  268.593  496.416   21.657  468.464   22.960 27.95172 31.56198 
1 1 1  -10   13   13 o  110.876   10.186  155.168   27.887  136.248   38.201  176.753   40.804  103.070   15.307  117.864   14.146 -14.79426 20.84251 
1 1 1  -10   13   14 o  172.028   9.4060  371.421   40.254  341.263   55.794  404.161   58.133  164.374   13.718  179.059   13.092 -14.68582 18.96259 
1 1 1  -10   13   15 f  265.482   10.902  882.756   72.274  977.338  102.052  787.584  102.370  278.605   14.721  249.729   16.509 28.87604 22.11859 
1 1 1  -10   13   16 o  574.412   18.517  4158.75  265.613  4164.16  375.371  4153.33  375.897  572.070   26.276  571.296   26.349 0.7742920 37.21127 
1 1 1  -10   13   17 o  150.337   9.7694  284.172   36.477  280.060   50.949  288.496   52.248  148.710   13.880  150.932   14.023 -2.221573 19.73057 
1 1 1  -10   13   18 o  287.995   11.490  1039.90   82.635  1041.32  116.391  1038.45  117.343  287.141   16.299  286.712   16.458 0.4295654 23.16328 
1 1 1  -10   13   19 o  361.043   12.763  1636.52  115.067  1567.50  162.281  1706.31  163.182  351.811   18.537  367.718   17.771 -15.90738 25.67926 
1 1 1  -10   13   20 o  220.620   11.390  612.192   62.539  534.438  103.815  656.479   78.350  204.329   20.628  228.099   13.820 -23.77025 24.83018 
1 1 1  -10   13   21 o  205.569   15.639  535.631   79.682  812.532  109.168  219.906  116.570  253.045   17.382  127.622   35.359 125.4231 39.39983 
1 1 1  -10   13   22 f  110.727   14.720  157.089   39.694  161.246   48.746  148.907   68.386  111.514   18.128  105.694   26.072 5.819946 31.75470 
1 1 1  -10   13   23 o  317.821   14.510  1272.73  115.157  1333.58  140.297  1147.09  201.603  324.244   17.390  297.128   27.482 27.11609 32.52226 
1 1 1  -10   13   24 o  364.798   13.592  1675.46  123.820  1701.33  174.883  1649.47  175.334  365.615   19.222  359.855   19.585 5.760590 27.44201 
1 1 1  -10   13   25 o  193.836   9.7504  472.374   47.046  465.368   65.898  479.656   67.186  191.717   13.858  194.641   13.915 -2.923843 19.63804 
1 1 1  -10   13   26 o  138.804   10.166  243.026   34.992  269.432   49.044  215.645   49.941  145.629   13.645  129.737   15.737 15.89163 20.82915 
1 1 1  -10   13   27 o  348.502   12.950  1528.90  112.702  1559.07  159.508  1498.82  159.261  350.049   18.311  343.077   18.660 6.971954 26.14343 
1 1 1  -10   13   28 o  154.714   10.272  301.738   39.461  307.961   55.459  295.357   56.162  155.598   14.438  152.247   14.965 3.350281 20.79441 
1 1 1  -10   13   29 o  140.984   13.078  252.410   45.520  189.410   91.805  272.948   52.417  118.193   30.795  146.376   14.532 -28.18350 34.05161 
1 1 1  -10   13   30 f  167.857   13.075  356.995   54.375  397.694  108.028  343.185   62.928  173.871   25.651  164.060   15.545 9.810883 29.99381 
1 1 1  -10   13   31 o  277.183   17.542  978.676  120.792  1082.28  174.983  884.364  166.952  288.912   24.484  260.335   26.030 28.57657 35.73534 
1 1 1  -10   13   32 o  277.480   17.335  980.885  119.515  890.769  183.305  1047.52  157.625  259.892   28.724  284.955   22.330 -25.06366 36.38301 
1 1 1  -10   13   33 o  217.111   13.064  596.433   70.499  713.496  142.923  558.792   81.044  233.736   24.868  209.528   15.601 24.20790 29.35701 
1 1 1  -10   13   34 o  188.427   13.144  450.156   61.459  554.219  135.271  423.087   68.991  204.528   27.157  182.146   15.310 22.38246 31.17476 
1 1 1  -10   13   35 o   58.343   24.597   8.3225   61.246  111.571  107.240 -41.6560   74.612   96.377   34.785   54.493   24.834 41.88388 42.74061 
1 1 1  -10   13   36 o   89.762   16.982  106.036   36.670  259.928  118.086   89.611   38.578  135.568   34.727   81.974   19.185 53.59410 39.67393 
1 1 1  -10   13   37 o  151.050   13.959  292.191   52.056  356.860  136.383  281.163   56.320  157.818   35.470  147.719   15.499 10.09860 38.70803 
1 1 1  -10   13   38 o  211.994   13.253  573.517   69.809  704.479  162.941  544.073   77.259  226.064   29.572  205.782   15.141 20.28162 33.22310 
1 1 1  -10   13   39 o   65.652   27.066   27.281   71.756   0.0000   0.0000   27.281   71.756  ?   ?    65.652   27.066 0.000000 27.06629 
1 1 1  -10   13   40 o   93.600   18.031  117.768   40.618 -110.3192  139.242  138.981   42.464   66.850   31.606  102.150   17.262 -35.30061 36.01317 
1 1 1  -10   13   41 o  180.170   13.956  420.171   62.303  371.635  170.474  427.654   66.933  148.141   43.333  181.327   14.914 -33.18562 45.82805 
1 1 1  -10   13   42 o  201.096   14.284  525.495   71.264  485.366  188.602  532.178   76.970  166.731   44.477  201.745   15.394 -35.01439 47.06579 
1 1 1  -10   13   43 f  128.100   14.971  216.229   46.986  254.700  179.933  213.413   48.675  119.087   44.692  126.935   15.690 -7.847626 47.36573 
1 1 1  -10   13   44 o  175.379   14.787  404.370   64.157  323.233  204.866  413.193   67.555  126.463   47.643  176.893   15.448 -50.42999 50.08491 
1 1 1  -10   13   45 o  112.227   19.265  174.696   52.047   36.976  205.749  184.112   53.796   87.722   40.445  115.199   19.389 -27.47673 44.85232 
1 1 1  -10   13   46 o  115.269   15.324  178.842   43.016  412.942  228.164  170.215   43.801  129.002   49.861  111.992   16.127 17.00973 52.40393 
1 1 1  -10   14    1 o  482.406   15.956  2930.84  192.218  2903.98  271.365  2957.89  272.311  478.081   22.730  482.546   22.598 -4.464905 32.05215 
1 1 1  -10   14    2 o  286.054   11.215  1025.80   80.113  1049.22  112.464  1001.66  114.148  288.335   15.678  281.583   16.303 6.752014 22.61878 
1 1 1  -10   14    3 o  417.755   14.122  2192.22  147.324  2148.51  207.726  2236.45  208.975  412.281   20.177  420.705   19.891 -8.424713 28.33304 
1 1 1  -10   14    4 o  537.206   17.302  3634.53  232.104  3578.79  327.772  3690.60  328.718  530.698   24.733  539.041   24.420 -8.343445 34.75724 
1 1 1  -10   14    5 o  285.262   11.077  1019.51   78.905  1007.53  110.963  1031.76  112.224  282.655   15.784  286.044   15.772 -3.389618 22.31314 
1 1 1  -10   14    6 o  120.050   9.6103  181.544   28.569  159.502   38.976  207.136   41.997  111.824   14.284  127.807   13.356 -15.98309 19.55552 
1 1 1  -10   14    7 o  611.479   19.331  4714.69  295.187  4583.54  416.946  4846.48  417.970  599.773   27.838  617.049   27.125 -17.27649 38.86840 
1 1 1  -10   14    8 o  169.256   9.3363  359.590   39.309  290.105   54.306  436.063   56.971  151.325   14.550  186.109   12.328 -34.78337 19.07102 
1 1 1  -10   14    9 o  135.629   14.176  233.351   47.304  233.280   62.997  233.444   71.627  134.717   19.276  134.182   22.149 0.5344238 29.36209 
1 1 1  -10   14   10 o  217.663   14.927  597.713   80.646  743.899  111.918  439.833  116.309  242.301   18.640  184.366   25.983 57.93523 31.97770 
1 1 1  -10   14   11 o  417.995   29.040  2239.73  301.239  2239.73  301.239   0.0000   0.0000  417.995   29.040  ?   ?  0.000000 29.03977 
1 1 1  -10   14   12 o  380.684   19.295  1832.00  182.828  1949.34  256.469  1710.76  260.698  390.647   26.446  365.064   28.831 25.58252 39.12375 
1 1 1  -10   14   13 o  608.022   27.687  4712.98  420.390  4742.17  592.780  4683.44  596.279  602.306   39.633  598.201   40.149 4.104858 56.41576 
1 1 1  -10   14   14 o  268.022   12.586  900.962   84.237  943.822  143.243  878.304  104.149  272.411   21.225  263.814   15.883 8.597046 26.50963 
1 1 1  -10   14   15 o  352.647   14.805  1562.81  130.372  1593.66  223.736  1546.94  160.422  353.004   25.554  349.764   18.432 3.239471 31.50765 
1 1 1  -10   14   16 o  248.546   12.690  777.163   78.501  939.223  133.986  692.456   96.868  271.908   19.870  233.909   16.693 37.99870 25.95180 
1 1 1  -10   14   17 o  271.872   12.887  927.917   87.489  1002.41  149.112  888.812  108.040  280.450   21.454  265.145   16.398 15.30542 27.00326 
1 1 1  -10   14   18 o  213.120   15.097  574.401   79.826  710.619  108.849  415.881  117.421  236.447   18.585  178.342   27.229 58.10457 32.96688 
1 1 1  -10   14   19 o  155.412   13.988  306.154   53.706  309.648   69.358  300.922   84.872  155.510   18.205  152.145   23.061 3.364700 29.38087 
1 1 1  -10   14   20 o  145.149   14.664  267.901   52.424  343.152   68.290  159.917   81.805  164.023   16.915  109.443   29.335 54.57990 33.86256 
1 1 1  -10   14   21 o  180.466   14.521  412.767   64.886  472.562   85.872  333.197   99.059  192.433   18.082  159.323   25.779 33.11023 31.48801 
1 1 1  -10   14   22 o  258.695   15.390  847.081   98.970  834.368  134.328  862.176  146.376  255.176   21.274  258.911   22.875 -3.735138 31.23862 
1 1 1  -10   14   23 o  171.754   10.192  371.340   43.519  343.566   60.462  401.196   62.687  164.406   14.889  177.888   14.231 -13.48189 20.59586 
1 1 1  -10   14   24 o  396.108   13.946  1976.80  137.947  2029.43  194.966  1924.04  195.207  399.625   19.537  388.386   20.197 11.23959 28.09983 
1 1 1  -10   14   25 o  199.100   10.205  498.699   50.567  448.798   70.564  551.374   72.500  187.970   15.162  208.712   13.991 -20.74202 20.63109 
1 1 1  -10   14   26 o  185.743   10.367  434.361   47.892  478.857   67.314  388.747   68.153  194.427   13.957  174.703   15.793 19.72406 21.07641 
1 1 1  -10   14   27 o  267.575   11.733  900.074   78.398  884.075  110.575  916.245  111.170  263.713   16.880  268.547   16.660 -4.834229 23.71622 
1 1 1  -10   14   28 o  141.346   10.268  252.081   35.994  242.865   50.113  261.901   51.732  137.946   14.778  143.331   14.660 -5.384842 20.81548 
1 1 1  -10   14   29 o   85.935   12.551   94.859   26.139  102.319   35.435   85.955   38.715   88.507   16.643   80.615   19.454 7.891693 25.60203 
1 1 1  -10   14   30 o  178.610   12.804  403.744   56.731  427.156  111.676  395.602   65.862  180.321   25.513  176.326   15.104 3.995575 29.64838 
1 1 1  -10   14   31 o  393.657   16.944  1964.82  166.561  1789.70  294.168  2047.46  202.073  367.160   32.417  400.050   20.294 -32.88983 38.24530 
1 1 1  -10   14   32 o  144.122   16.322  266.405   57.706  202.695  106.132  293.145   68.758  121.628   33.753  150.684   18.673 -29.05680 38.57381 
1 1 1  -10   14   33 o  505.121   24.271  3295.75  306.152  3334.83  441.929  3259.68  424.524  497.440   35.816  492.872   34.714 4.567505 49.87812 
1 1 1  -10   14   34 o  235.416   25.404  727.312  146.979   0.0000   0.0000  727.312  146.979  ?   ?   235.416   25.404 0.000000 25.40421 
1 1 1  -10   14   35 o  158.275   13.594  319.039   53.208  401.045  127.216  301.652   58.577  171.496   30.839  153.414   15.503 18.08197 34.51689 
1 1 1  -10   14   36 o  105.161   15.664  143.638   39.880  337.020  120.542  119.869   42.260  155.730   32.065   95.198   18.443 60.53210 36.99059 
1 1 1  -10   14   37 o  160.254   13.712  328.402   54.346  197.319  134.387  354.031   59.422  117.982   39.117  166.219   14.460 -48.23666 41.70395 
1 1 1  -10   14   38 o  239.561   13.855  733.347   82.533  864.005  179.708  698.422   92.911  250.756   29.248  232.847   16.077 17.90944 33.37594 
1 1 1  -10   14   39 o   92.437   17.121  113.666   38.065   2.6372  134.617  123.315   39.684   79.220   34.919   96.374   17.117 -17.15450 38.88890 
1 1 1  -10   14   40 o  124.908   29.262  225.435   89.672   0.0000   0.0000  225.435   89.672  ?   ?   124.908   29.262 0.000000 29.26151 
1 1 1  -10   14   41 o  283.162   15.594  1042.79  109.841  972.855  230.811  1063.26  124.890  250.652   38.073  284.335   17.677 -33.68307 41.97623 
1 1 1  -10   14   42 o  139.130   15.240  254.188   52.083  152.993  169.523  264.735   54.730  103.472   42.004  141.797   15.721 -38.32552 44.84996 
1 1 1  -10   14   43 o  103.245   16.147  142.540   40.267  300.542  175.287  133.738   41.374  128.230   44.641   99.480   17.282 28.75085 47.86926 
1 1 1  -10   14   44 o  135.099   14.941  241.109   49.564  332.652  191.693  234.550   51.309  129.857   46.549  132.820   15.778 -2.963516 49.15042 
1 1 1  -10   14   45 o   64.910   20.120   58.400   35.990 -76.4551  194.562   63.178   36.622   77.087   36.710   67.208   20.193 9.878433 41.89727 
1 1 1  -10   14   46 o  152.904   14.712  311.071   55.482  599.214  236.944  294.356   57.068  158.348   51.914  148.105   15.668 10.24306 54.22683 
1 1 1  -10   15    1 o  281.503   15.273  1001.80  106.959  890.160  150.348  1116.19  152.194  263.182   23.111  295.693   20.743 -32.51080 31.05409 
1 1 1  -10   15    2 o  290.629   11.259  1059.80   81.710  1038.71  114.379  1081.78  116.768  286.567   16.048  292.464   16.050 -5.897034 22.69641 
1 1 1  -10   15    3 o  359.649   12.732  1624.59  114.345  1603.30  160.960  1646.29  162.468  355.751   18.179  360.977   18.023 -5.225983 25.59930 
1 1 1  -10   15    4 o  384.429   13.495  1856.93  129.553  1812.04  182.497  1902.53  183.943  378.012   19.398  387.927   18.988 -9.915619 27.14483 
1 1 1  -10   15    5 o  378.680   13.236  1800.92  125.167  1768.54  176.320  1833.81  177.715  373.659   18.958  381.027   18.677 -7.368195 26.61329 
1 1 1  -10   15    6 o  423.525   14.283  2254.35  151.056  2181.87  212.975  2327.73  214.281  415.216   20.540  429.019   20.001 -13.80319 28.66968 
1 1 1  -10   15    7 f  213.380   9.6529  570.158   51.435  508.200   71.545  636.436   73.998  200.592   14.378  224.768   13.242 -24.17621 19.54699 
1 1 1  -10   15    8 f  295.149   11.275  1091.94   83.101  1030.61  116.740  1154.95  118.322  285.654   16.435  302.592   15.713 -16.93765 22.73749 
1 1 1  -10   15    9 o  194.894   14.266  479.706   68.947   0.0000   0.0000  479.706   68.947  ?   ?   194.894   14.266 0.000000 14.26574 
1 1 1  -10   15   10 o  194.343   13.673  476.566   65.933  476.566   65.933   0.0000   0.0000  194.343   13.673  ?   ?  0.000000 13.67293 
1 1 1  -10   15   11 o  245.899   10.298  757.423   63.236  737.756   88.493  777.944   90.395  241.840   14.723  248.376   14.639 -6.536194 20.76231 
1 1 1  -10   15   12 o  398.976   13.594  1998.90  135.439  1987.19  190.592  2010.84  192.503  396.676   19.241  399.011   19.320 -2.334930 27.26630 
1 1 1  -10   15   13 o  384.526   15.500  1860.18  148.838  1777.69  181.126  2031.71  261.181  374.614   19.429  398.203   26.416 -23.58945 32.79095 
1 1 1  -10   15   14 o  279.394   15.790  985.615  109.714  939.749  151.176  1036.65  159.473  271.228   22.524  284.936   22.598 -13.70834 31.90603 
1 1 1  -10   15   15 o  331.536   17.083  1389.46  140.951  1278.18  195.194  1510.72  203.751  315.732   24.960  343.772   23.883 -28.04025 34.54567 
1 1 1  -10   15   16 o  346.931   17.962  1523.77  155.085  1507.93  215.802  1540.68  223.023  342.785   25.391  346.289   25.980 -3.503265 36.32718 
1 1 1  -10   15   17 o  264.194   15.965  882.769  104.832  991.963  144.742  762.291  152.038  278.879   20.937  242.990   25.433 35.88910 32.94197 
1 1 1  -10   15   18 o  122.388   14.485  191.101   43.412  192.001   54.461  189.532   71.895  121.888   18.472  119.684   24.868 2.204140 30.97729 
1 1 1  -10   15   19 o  344.068   18.533  1502.77  158.648  1698.75  221.348  1295.73  227.503  363.702   24.514  315.548   29.203 48.15448 38.12807 
1 1 1  -10   15   20 o  146.566   14.263  273.015   51.543  292.990   66.214  242.298   82.109  151.155   17.889  135.477   25.198 15.67769 30.90200 
1 1 1  -10   15   21 o  535.788   20.659  3651.81  276.407  3979.71  338.420  2994.74  479.055  557.345   24.315  471.081   41.136 86.26376 47.78467 
1 1 1  -10   15   22 o  277.331   11.657  966.289   80.728  990.508  113.612  941.591  114.730  279.492   16.349  272.323   16.955 7.169098 23.55376 
1 1 1  -10   15   23 o  290.983   11.461  1063.72   83.280  1048.56  117.115  1079.22  118.448  287.536   16.378  291.739   16.324 -4.202972 23.12417 
1 1 1  -10   15   24 o  127.516   10.267  205.354   32.416  215.107   44.958  194.793   46.784  129.896   14.086  123.250   15.546 6.646797 20.97840 
1 1 1  -10   15   25 o  264.225   10.812  876.710   71.337  859.175  100.083  894.818  101.708  260.351   15.463  265.733   15.393 -5.381836 21.81881 
1 1 1  -10   15   26 o  286.583   11.851  1032.67   84.810  1005.61  119.253  1060.37  120.637  281.259   17.060  288.920   16.793 -7.660858 23.93818 
1 1 1  -10   15   27 o  204.206   10.630  525.048   54.022  516.461   75.796  533.913   77.016  201.656   15.163  205.057   15.148 -3.400131 21.43248 
1 1 1  -10   15   28 o  244.552   11.519  751.814   70.345  782.818   99.257  720.524   99.711  248.245   16.098  237.913   16.893 10.33185 23.33503 
1 1 1  -10   15   29 o  100.619   11.557  128.928   28.512  127.943   38.748  130.092   42.105   99.323   16.179   99.881   17.520 -0.5579910 23.84783 
1 1 1  -10   15   30 o  260.019   11.094  849.711   72.033  809.192  101.479  890.862  102.267  252.319   16.191  264.979   15.523 -12.65916 22.42997 
1 1 1  -10   15   31 o  257.335   14.252  838.522   91.225  779.684  166.617  863.711  109.018  243.354   27.923  260.470   16.851 -17.11589 32.61371 
1 1 1  -10   15   32 o  283.679   17.492  1025.93  123.308  938.397  187.794  1092.28  163.489  266.678   28.649  290.735   22.698 -24.05756 36.55101 
1 1 1  -10   15   33 f  362.552   21.840  1693.60  196.805  994.205  285.886  2323.60  271.333  264.240   44.934  422.325   25.852 -158.0849 51.84032 
1 1 1  -10   15   34 o  154.969   32.182  329.827  120.469  329.827  120.469   0.0000   0.0000  154.969   32.182  ?   ?  0.000000 32.18241 
1 1 1  -10   15   35 o  182.169   13.920  422.422   62.845  354.256  132.881  442.063   71.327  159.265   34.416  185.963   15.501 -26.69797 37.74542 
1 1 1  -10   15   36 o  162.579   14.160  337.801   56.913  295.429  130.115  347.826   63.288  143.705   36.259  164.600   15.583 -20.89438 39.46553 
1 1 1  -10   15   37 o  100.761   27.551  140.265   71.316  197.955  124.665  112.202   86.948  117.735   37.579   92.494   31.470 25.24109 49.01638 
1 1 1  -10   15   38 o   89.940   18.192  108.024   39.456   27.218  128.581  116.424   41.456   82.113   35.164   93.386   18.431 -11.27335 39.70123 
1 1 1  -10   15   39 o   42.355   17.070   11.512   27.779   7.6838  130.227   11.695   28.433   78.754   34.540   42.798   17.262 35.95600 38.61368 
1 1 1  -10   15   40 o  137.023   16.280  246.272   54.616   0.0000   0.0000  246.272   54.616  ?   ?   137.023   16.280 0.000000 16.28029 
1 1 1  -10   15   41 o  166.297   23.140  380.113   93.490  408.516  180.903  369.763  109.203  154.230   44.503  160.539   28.272 -6.309402 52.72462 
1 1 1  -10   15   42 o   71.609   18.897   70.490   34.283   13.221  159.814   73.252   35.100   82.936   37.206   72.947   19.059 9.988182 41.80290 
1 1 1  -10   15   43 o   76.264   19.028   80.511   36.120  107.588  173.653   79.287   36.928   95.812   40.943   75.585   19.451 20.22662 45.32840 
1 1 1  -10   15   44 o   97.815   17.480  130.260   41.131  181.936  187.547  127.649   42.157  105.328   43.620   96.506   18.160 8.821960 47.24895 
1 1 1  -10   15   45 o   41.477   16.946   10.951   27.811 -49.8688  200.156   12.148   28.084   79.998   37.845   42.082   17.092 37.91629 41.52545 
1 1 1  -10   15   46 f  169.926   18.467  396.372   77.101  539.528  241.632  380.145   81.353  146.888   52.303  164.994   20.165 -18.10657 56.05578 
1 1 1  -10   16    1 o  184.038   9.5879  425.950   43.911  427.161   60.787  424.629   63.501  183.689   13.343  183.014   14.001 0.6748047 19.34068 
1 1 1  -10   16    2 o  133.041   9.6011  223.085   31.683  204.870   42.830  245.099   47.086  126.815   13.745  138.834   13.763 -12.01969 19.45060 
1 1 1  -10   16    3 o  349.902   17.699  1553.54  154.148  1473.79  217.383  1634.20  218.620  337.673   25.979  356.225   24.729 -18.55209 35.86723 
1 1 1  -10   16    4 o  345.777   17.650  1516.11  151.896  1534.28  214.598  1497.86  215.030  345.189   25.066  340.893   25.443 4.296112 35.71666 
1 1 1  -10   16    5 o  274.430   11.013  944.917   75.474  973.862  105.738  914.853  107.763  277.564   15.314  268.818   16.128 8.746460 22.24036 
1 1 1  -10   16    6 f  276.137   11.067  956.581   76.316  997.374  107.248  914.736  108.620  280.946   15.345  268.821   16.257 12.12503 22.35525 
1 1 1  -10   16    7 o  217.947   10.013  595.325   54.495  621.404   76.124  567.912   78.046  221.876   13.808  211.889   14.844 9.986893 20.27291 
1 1 1  -10   16    8 o  184.691   9.5697  428.474   43.985  351.019   60.883  513.036   63.615  166.359   14.810  201.717   12.694 -35.35770 19.50572 
1 1 1  -10   16    9 o  303.630   11.438  1156.54   86.723  1098.30  121.718  1216.59  123.592  294.665   16.609  310.313   16.004 -15.64825 23.06485 
1 1 1  -10   16   10 f  192.341   9.7982  464.700   46.906  495.173   64.955  431.492   67.807  198.093   13.207  184.589   14.835 13.50407 19.86212 
1 1 1  -10   16   11 o  239.987   10.352  721.878   62.042  713.711   86.799  730.411   88.712  237.721   14.694  240.468   14.846 -2.747269 20.88791 
1 1 1  -10   16   12 o  236.939   10.352  703.673   61.248  685.375   85.602  722.867   87.672  232.911   14.794  239.230   14.747 -6.318817 20.88932 
1 1 1  -10   16   13 o  106.876   10.476  144.553   27.601  147.584   37.526  140.981   40.738  107.385   14.353  104.580   16.117 2.805458 21.58170 
1 1 1  -10   16   14 o  124.322   10.247  195.042   31.530  178.019   43.663  213.592   45.578  117.952   15.176  129.522   14.332 -11.57018 20.87349 
1 1 1  -10   16   15 o  297.746   11.660  1112.69   86.695  1117.46  121.715  1107.79  123.516  297.174   16.466  295.803   16.791 1.371063 23.51687 
1 1 1  -10   16   16 o  128.246   10.068  207.437   31.983  209.281   43.754  205.320   46.869  128.243   13.884  126.791   15.100 1.452385 20.51286 
1 1 1  -10   16   17 o  239.675   10.150  720.273   60.746  742.762   85.158  696.973   86.678  242.509   14.123  234.745   14.863 7.764496 20.50312 
1 1 1  -10   16   18 o  317.504   12.053  1266.46   95.563  1366.98  134.708  1164.63  135.590  329.004   16.396  302.814   18.012 26.19016 24.35709 
1 1 1  -10   16   19 o  331.322   12.432  1379.97  102.856  1549.57  145.238  1209.33  145.682  350.164   16.610  308.209   19.021 41.95486 25.25243 
1 1 1  -10   16   20 o  184.204   10.051  426.857   46.059  493.012   64.731  359.018   65.550  197.496   13.201  167.897   15.821 29.59947 20.60528 
1 1 1  -10   16   21 o  386.673   13.960  1883.90  134.798  1982.39  190.305  1784.73  190.965  395.028   19.292  373.865   20.533 21.16351 28.17409 
1 1 1  -10   16   22 o  224.461   10.686  632.523   59.896  736.832   84.472  527.049   84.942  241.382   14.075  203.399   16.876 37.98354 21.97496 
1 1 1  -10   16   23 o  463.995   15.933  2721.50  184.612  2926.40  261.320  2517.34  260.843  478.558   21.867  442.396   23.697 36.16202 32.24472 
1 1 1  -10   16   24 o  310.081   12.539  1209.93   97.091  1257.62  136.805  1161.53  137.815  314.516   17.487  301.946   18.365 12.56998 25.35893 
1 1 1  -10   16   25 o  285.066   11.714  1021.69   83.391  1027.89  117.345  1015.36  118.528  284.482   16.590  282.656   16.869 1.826080 23.66023 
1 1 1  -10   16   26 o  267.379   11.613  898.818   77.537  952.750  109.484  844.550  109.824  273.971   16.073  257.588   17.172 16.38315 23.52066 
1 1 1  -10   16   27 o  261.807   11.349  861.543   74.198  880.215  104.179  842.321  105.701  263.324   15.918  257.406   16.532 5.917297 22.94930 
1 1 1  -10   16   28 o  343.220   13.007  1483.89  111.478  1540.50  157.343  1426.84  157.968  347.801   18.179  334.388   18.996 13.41333 26.29323 
1 1 1  -10   16   29 o  196.899   10.367  488.171   50.796  482.121   70.954  494.530   72.752  194.850   14.690  197.314   14.874 -2.464020 20.90575 
1 1 1  -10   16   30 o  402.917   14.366  2049.81  144.543  1970.90  203.894  2129.52  204.940  392.143   20.897  408.510   20.090 -16.36710 28.98733 
1 1 1  -10   16   31 o  210.129   11.156  556.693   58.327  558.086   82.078  555.273   82.903  209.380   15.815  208.795   16.022 0.5842743 22.51255 
1 1 1  -10   16   32 o  281.855   15.403  1008.48  108.004  955.561  195.787  1031.63  129.488  268.448   29.704  284.112   18.349 -15.66434 34.91438 
1 1 1  -10   16   33 o  100.428   21.300  134.052   51.763   0.0000   0.0000  134.052   51.763  ?   ?   100.428   21.300 0.000000 21.30048 
1 1 1  -10   16   34 o  340.747   16.454  1475.88  140.011  1423.62  251.423  1499.36  168.566  326.012   31.267  341.545   19.850 -15.53275 37.03523 
1 1 1  -10   16   35 o  121.787   16.390  192.033   48.580   58.060  116.378  220.305   53.461   86.273   34.880  130.473   16.799 -44.20069 38.71402 
1 1 1  -10   16   36 f  130.466   15.367  219.537   49.106  204.119  122.690  222.478   53.586  120.009   37.141  130.957   16.771 -10.94808 40.75180 
1 1 1  -10   16   37 o  165.602   14.234  351.498   58.290  413.075  137.613  338.034   64.347  170.711   33.477  161.781   16.143 8.929932 37.16640 
1 1 1  -10   16   38 o  126.398   16.429  208.524   50.631 -33.8681  129.784  252.037   54.988   73.667   33.245  139.246   16.111 -65.57887 36.94345 
1 1 1  -10   16   39 o   78.263   19.235   83.086   37.324 -113.5346  125.378  102.205   39.097   62.948   29.830   87.078   18.548 -24.13055 35.12577 
1 1 1  -10   16   40 o   81.620   28.670   88.023   72.378   92.111  142.500   86.602   84.022   93.138   38.240   82.854   30.648 10.28449 49.00647 
1 1 1  -10   16   41 o  154.720   29.658  348.756  110.419   0.0000   0.0000  348.756  110.419  ?   ?   154.720   29.658 0.000000 29.65847 
1 1 1  -10   16   42 o  104.107   29.781  162.050   81.330  110.680  165.777  178.333   93.334   96.548   40.572  108.012   32.188 -11.46417 51.78934 
1 1 1  -10   16   43 o   55.615   19.115   38.969   32.090   5.2271  168.795   40.234   32.686   82.646   37.544   56.346   19.295 26.30048 42.21184 
1 1 1  -10   16   44 o   96.930   17.623  128.165   41.085  258.599  185.145  121.409   42.135  117.246   45.023   93.842   18.637 23.40460 48.72773 
1 1 1  -10   16   45 o   82.891   19.461   96.684   39.594 -72.3314  200.110  103.571   40.392   78.270   37.261   85.916   19.298 -7.646477 41.96228 
1 1 1  -10   16   46 o  107.343   16.982  157.702   44.006  358.896  223.484  149.586   44.885  122.459   48.737  103.987   17.933 18.47181 51.93106 
1 1 1  -10   17    1 o  474.793   15.797  2854.89  187.291  2844.86  264.372  2865.00  265.368  470.561   22.498  472.221   22.504 -1.659637 31.82117 
1 1 1  -10   17    2 o  256.201   10.462  824.459   66.934  791.167   93.548  859.380   95.809  249.742   15.071  260.395   14.795 -10.65201 21.11924 
1 1 1  -10   17    3 o  402.808   13.913  2046.30  139.950  1969.58  197.167  2124.20  198.679  392.545   20.182  408.452   19.479 -15.90701 28.04882 
1 1 1  -10   17    4 o  276.418   11.133  959.890   76.844  982.575  107.670  936.338  109.707  278.438   15.547  271.600   16.250 6.837219 22.48948 
1 1 1  -10   17    5 f  173.774   12.872  382.058   55.460  326.717   77.610  439.810   79.282  159.079   19.977  185.589   17.307 -26.50920 26.43130 
1 1 1  -10   17    6 o  423.976   20.427  2287.54  216.272  2230.91  305.611  2344.35  306.100  413.386   29.805  424.256   29.068 -10.87036 41.63236 
1 1 1  -10   17    7 o  293.082   11.288  1078.61   82.613  1015.59  115.784  1143.96  117.910  283.033   16.453  300.625   15.761 -17.59256 22.78400 
1 1 1  -10   17    8 o  381.203   15.549  1833.51  148.016  1717.92  255.772  1891.71  181.494  363.609   28.394  386.272   18.816 -22.66330 34.06237 
1 1 1  -10   17    9 o  337.642   14.144  1435.60  119.255  1392.83  145.666  1522.55  207.672  331.336   17.669  344.078   24.326 -12.74197 30.06604 
1 1 1  -10   17   10 o  175.403   9.5961  386.780   41.873  387.500   57.778  385.983   60.771  175.017   13.320  174.543   14.062 0.4734802 19.36884 
1 1 1  -10   17   11 o  475.281   15.831  2850.19  187.893  2872.52  265.093  2827.65  266.355  474.682   22.364  470.834   22.654 3.847900 31.83292 
1 1 1  -10   17   12 f  173.882   9.6096  380.124   41.565  343.196   57.343  421.004   60.334  164.516   14.094  182.468   13.333 -17.95160 19.40154 
1 1 1  -10   17   13 o  185.664   9.7728  433.328   45.151  438.382   62.658  427.870   65.119  186.169   13.571  183.781   14.302 2.387863 19.71602 
1 1 1  -10   17   14 o  563.511   18.131  4020.73  255.134  4017.56  360.152  4023.92  361.478  559.329   25.785  559.724   25.862 -0.3958130 36.51984 
1 1 1  -10   17   15 o  336.156   12.371  1420.34  103.851  1400.45  145.907  1440.75  147.846  332.206   17.651  336.972   17.631 -4.765472 24.94843 
1 1 1  -10   17   16 o  589.497   18.855  4407.66  277.567  4276.01  391.534  4540.67  393.552  575.775   27.231  593.801   26.541 -18.02618 38.02549 
1 1 1  -10   17   17 o  186.580   10.126  437.960   47.002  455.061   65.139  419.384   67.889  189.588   13.855  181.724   15.097 7.864258 20.49055 
1 1 1  -10   17   18 o  108.716   10.791  149.811   28.908  173.199   39.477  122.771   42.447  116.460   13.846   96.897   18.211 19.56316 22.87666 
1 1 1  -10   17   19 o  269.047   11.191  909.213   75.186  927.990  105.513  889.843  107.165  270.601   15.682  264.809   16.285 5.792480 22.60766 
1 1 1  -10   17   20 f  133.450   10.249  224.794   33.894  231.887   46.622  216.843   49.363  134.924   14.043  130.139   15.494 4.784851 20.91094 
1 1 1  -10   17   21 o  161.340   10.057  327.889   40.317  349.329   55.728  304.344   58.400  165.973   13.564  154.494   15.340 11.47913 20.47715 
1 1 1  -10   17   22 o  135.581   10.198  232.003   34.276  217.536   47.116  248.266   49.955  130.486   14.716  139.537   14.550 -9.050964 20.69517 
1 1 1  -10   17   23 o  340.574   13.192  1461.11  112.191  1582.93  158.320  1338.24  159.006  352.703   18.036  323.603   19.771 29.09979 26.76183 
1 1 1  -10   17   24 o  360.336   13.461  1636.38  121.126  1765.51  171.059  1506.52  171.539  372.793   18.375  343.240   20.101 29.55267 27.23381 
1 1 1  -10   17   25 o  393.626   14.261  1955.17  140.180  2113.75  198.363  1796.96  198.126  407.419   19.497  374.396   21.279 33.02295 28.86073 
1 1 1  -10   17   26 o  141.927   10.190  254.168   35.876  230.837   49.198  280.661   52.427  134.388   14.912  148.461   14.319 -14.07289 20.67347 
1 1 1  -10   17   27 o  394.170   14.710  1962.25  144.797  2073.30  204.491  1850.57  205.059  402.579   20.408  379.680   21.718 22.89896 29.80168 
1 1 1  -10   17   28 o  317.273   12.544  1267.51   99.389  1281.73  139.939  1253.03  141.184  317.252   17.735  313.539   18.109 3.713226 25.34674 
1 1 1  -10   17   29 f  422.162   15.071  2252.93  158.883  2363.51  224.389  2141.74  225.001  429.967   20.898  408.159   22.158 21.80829 30.45868 
1 1 1  -10   17   30 o  215.536   11.501  585.972   61.677  560.864   86.317  612.165   88.162  209.698   16.620  219.238   16.218 -9.540619 23.22174 
1 1 1  -10   17   31 o  353.252   13.624  1574.79  120.185  1534.37  169.190  1615.95  170.756  346.193   19.652  355.454   19.310 -9.261505 27.55089 
1 1 1  -10   17   32 o  116.361   16.717  175.211   47.179   17.091  107.695  212.764   52.484   76.919   32.532  128.429   16.765 -51.50944 36.59769 
1 1 1  -10   17   33 o  202.016   27.804  543.025  136.545  543.025  136.545   0.0000   0.0000  202.016   27.804  ?   ?  0.000000 27.80362 
1 1 1  -10   17   34 o  260.319   18.021  869.010  116.427  602.303  178.109  1068.01  153.849  208.540   35.472  287.114   21.617 -78.57405 41.53928 
1 1 1  -10   17   35 o  121.653   16.020  191.477   47.483   33.785  111.511  226.402   52.478   80.293   33.475  132.394   16.212 -52.10156 37.19376 
1 1 1  -10   17   36 o  188.763   14.400  455.470   67.366  419.810  143.258  465.594   76.333  172.241   34.509  190.276   16.220 -18.03491 38.13086 
1 1 1  -10   17   37 o  189.875   14.412  461.972   67.823  454.878  146.339  463.913   76.540  178.665   34.043  189.598   16.325 -10.93242 37.75471 
1 1 1  -10   17   38 o  195.693   14.301  491.775   69.402  447.875  154.400  502.891   77.694  174.171   36.659  197.265   15.907 -23.09438 39.96174 
1 1 1  -10   17   39 o  147.173   15.654  281.951   56.647  124.104  142.721  311.466   61.716   99.834   39.195  154.528   16.236 -54.69396 42.42440 
1 1 1  -10   17   40 o  111.538   17.387  165.606   46.851 -18.9835  138.568  189.431   49.782   76.078   34.341  119.521   17.173 -43.44288 38.39520 
1 1 1  -10   17   41 o  223.157   16.887  654.329   93.410   0.0000   0.0000  654.329   93.410  ?   ?   223.157   16.887 0.000000 16.88737 
1 1 1  -10   17   42 o   63.091   27.533   6.1846   81.839   0.0000   0.0000   6.1846   81.839  ?   ?    63.091   27.533 0.000000 27.53324 
1 1 1  -10   17   43 o  167.890   15.467  371.026   64.115  281.670  181.496  383.767   68.534  123.623   45.156  170.284   16.317 -46.66060 48.01323 
1 1 1  -10   17   44 o   95.482   31.106  140.556   85.117  100.801  184.074  151.369   95.997   94.100   41.173   98.141   33.069 -4.041405 52.80883 
1 1 1  -10   17   45 o  115.116   30.650  209.652   89.675  455.009  213.528  157.111   98.812  144.280   49.316   98.335   33.548 45.94482 59.64569 
1 1 1  -10   17   46 o   43.962   17.900   13.879   30.902   26.233  220.879   13.632   31.209   86.237   40.471   44.022   17.964 42.21573 44.27907 
1 1 1  -10   18    1 o  393.235   13.542  1953.56  132.978  1849.12  187.326  2059.66  188.802  379.573   19.832  401.591   18.827 -22.01743 27.34484 
1 1 1  -10   18    2 o  114.030   9.5367  164.391   26.907  115.983   36.174  224.341   40.256   94.409   15.909  132.874   12.271 -38.46478 20.09191 
1 1 1  -10   18    3 f  127.232   9.6814  204.411   30.529  193.371   41.372  217.610   45.236  123.025   13.699  130.510   14.104 -7.485161 19.66227 
1 1 1  -10   18    4 o  475.948   15.950  2869.79  189.566  2867.58  267.416  2872.02  268.763  472.301   22.673  472.606   22.773 -0.3053589 32.13555 
1 1 1  -10   18    5 o  177.456   9.5885  396.332   42.333  400.950   58.442  391.235   61.403  177.855   13.254  175.495   14.131 2.359604 19.37377 
1 1 1  -10   18    6 o  260.223   10.969  850.957   71.277  901.701   99.872  798.280  101.757  266.704   15.057  250.549   16.353 16.15564 22.22955 
1 1 1  -10   18    7 o  256.227   21.456  844.806  136.022   0.0000   0.0000  844.806  136.022  ?   ?   256.227   21.456 0.000000 21.45613 
1 1 1  -10   18    8 o  178.260   18.943  408.271   83.033  408.271   83.033   0.0000   0.0000  178.260   18.943  ?   ?  0.000000 18.94310 
1 1 1  -10   18    9 o  351.931   17.974  1575.22  157.431  1589.65  222.609  1560.78  222.673  350.282   25.627  346.944   25.888 3.338837 36.42706 
1 1 1  -10   18   10 o  168.171   9.7775  355.961   40.884  331.653   56.197  383.293   59.590  161.602   14.066  173.858   13.840 -12.25587 19.73308 
1 1 1  -10   18   11 o  289.634   11.289  1053.90   81.649  1034.22  114.284  1074.42  116.693  285.576   16.091  291.083   16.117 -5.507294 22.77428 
1 1 1  -10   18   12 o  652.550   20.890  5428.97  340.417  5503.49  481.021  5354.21  481.823  650.256   29.623  640.950   30.103 9.305542 42.23417 
1 1 1  -10   18   13 o  230.043   10.258  664.112   58.928  643.922   81.972  685.706   84.773  225.469   14.638  232.693   14.664 -7.224121 20.71965 
1 1 1  -10   18   14 o  383.488   13.535  1852.54  129.615  1851.20  182.556  1853.91  184.059  381.180   19.241  381.401   19.389 -0.2209473 27.31558 
1 1 1  -10   18   15 f  117.091   10.366  173.412   29.998  170.226   40.929  177.110   44.094  115.285   14.540  117.452   15.405 -2.167015 21.18353 
1 1 1  -10   18   16 o  423.828   14.309  2265.53  151.443  2235.24  213.254  2296.35  215.105  418.829   20.390  424.559   20.289 -5.729614 28.76425 
1 1 1  -10   18   17 o  406.284   13.734  2080.44  139.340  2001.30  195.935  2161.41  198.199  396.494   19.789  412.262   19.252 -15.76743 27.60885 
1 1 1  -10   18   18 o  366.884   13.248  1695.57  121.379  1711.42  170.751  1679.39  172.575  366.540   18.717  362.934   19.109 3.606140 26.74850 
1 1 1  -10   18   19 o  287.700   11.483  1040.44   82.495  988.612  115.087  1095.22  118.312  278.955   16.596  293.779   16.190 -14.82330 23.18478 
1 1 1  -10   18   20 o  216.441   10.411  588.202   56.271  657.593   78.790  515.960   80.393  227.944   13.908  201.314   16.127 26.63066 21.29608 
1 1 1  -10   18   21 o  303.701   11.890  1160.13   90.175  1193.89  126.534  1125.29  128.544  306.599   16.588  297.386   17.385 9.212921 24.02951 
1 1 1  -10   18   22 o  260.866   10.732  854.845   69.912  844.598   97.527  865.677  100.271  258.085   15.200  261.233   15.439 -3.148346 21.66562 
1 1 1  -10   18   23 o  164.271   10.219  340.090   41.713  355.105   57.535  323.452   60.565  167.225   13.904  159.229   15.425 7.996078 20.76660 
1 1 1  -10   18   24 o  419.838   15.085  2227.71  158.150  2408.24  223.395  2046.32  223.923  434.257   20.600  398.827   22.576 35.42966 30.56233 
1 1 1  -10   18   25 o  298.774   12.313  1123.70   91.864  1211.88  129.270  1033.74  130.569  308.751   16.830  284.557   18.475 24.19351 24.99115 
1 1 1  -10   18   26 o  247.005   10.943  766.738   67.497  834.463   94.610  696.540   96.323  256.578   14.829  233.884   16.600 22.69360 22.25915 
1 1 1  -10   18   27 o  232.162   11.450  677.817   66.379  723.940   93.445  630.836   94.310  238.671   15.767  222.370   17.115 16.30051 23.27102 
1 1 1  -10   18   28 o  185.408   10.582  433.267   48.793  434.069   67.574  432.395   70.529  184.768   14.769  184.249   15.472 0.5196381 21.38946 
1 1 1  -10   18   29 o  457.185   16.383  2649.41  187.041  2845.44  264.410  2453.06  264.623  470.691   22.495  435.333   24.441 35.35754 33.21733 
1 1 1  -10   18   30 o  204.128   10.918  525.329   55.452  529.938   77.329  520.451   79.561  204.089   15.284  202.091   15.894 1.998001 22.04998 
1 1 1  -10   18   31 o  293.417   12.814  1085.50   93.888  1125.07  132.715  1045.86  132.841  296.807   17.991  285.870   18.712 10.93771 25.95771 
1 1 1  -10   18   32 o   99.444   17.815  129.521   42.615  185.470   97.301  116.241   47.404  116.256   32.338   93.472   20.840 22.78436 38.47152 
1 1 1  -10   18   33 o  236.932   17.191  718.283  101.020  533.531  157.395  847.702  131.734  197.507   33.082  256.121   20.776 -58.61427 39.06497 
1 1 1  -10   18   34 o  102.430   19.470  138.749   47.981  102.219  103.888  148.655   54.097   93.289   34.150  105.643   21.242 -12.35410 40.21779 
1 1 1  -10   18   35 o  245.840   14.954  771.074   91.369  722.026  174.921  789.478  107.148  229.868   31.285  247.833   17.424 -17.96446 35.81026 
1 1 1  -10   18   36 o  155.454   14.612  310.227   56.059  303.771  126.983  311.790   62.476  145.221   35.349  155.320   16.354 -10.09915 38.94841 
1 1 1  -10   18   37 o  166.962   15.184  359.198   62.617  271.175  137.285  382.321   70.362  134.719   38.738  171.782   16.610 -37.06323 42.14904 
1 1 1  -10   18   38 o  265.567   15.809  909.854  104.369  841.286  202.442  934.677  121.804  241.479   34.557  267.713   18.330 -26.23355 39.11733 
1 1 1  -10   18   39 f  183.123   15.266  434.713   69.174  338.038  154.140  459.094   77.407  145.847   40.749  187.552   16.702 -41.70483 44.03907 
1 1 1  -10   18   40 f  135.155   16.473  240.605   54.447   27.806  146.193  274.876   58.668   83.538   36.618  144.540   16.552 -61.00189 40.18565 
1 1 1  -10   18   41 o  106.670   17.994  153.265   46.226  180.211  155.167  150.640   48.425  108.058   41.283  105.259   19.128 2.798172 45.49844 
1 1 1  -10   18   42 o  169.821   30.700  429.147  125.398   0.0000   0.0000  429.147  125.398  ?   ?   169.821   30.700 0.000000 30.69980 
1 1 1  -10   18   43 o  193.792   23.594  525.675  111.825  564.065  197.177  507.473  135.771  177.584   44.541  183.989   30.627 -6.404922 54.05500 
1 1 1  -10   18   44 f  135.897   16.623  247.382   55.235  410.241  193.360  232.912   57.637  143.568   46.889  131.013   18.100 12.55545 50.26097 
1 1 1  -10   18   45 o  129.946   17.018  228.534   53.897  298.080  207.044  223.479   55.822  118.419   46.979  127.933   17.969 -9.513206 50.29788 
1 1 1  -10   18   46 o  145.952   16.264  287.679   58.270  235.258  224.129  291.479   60.345  105.817   45.876  146.569   16.790 -40.75153 48.85237 
1 1 1  -10   19    1 o  300.048   16.691  1149.57  124.567  1117.91  173.742  1183.07  178.691  292.457   24.001  300.918   23.979 -8.461121 33.92709 
1 1 1  -10   19    2 o  414.184   14.258  2171.76  147.473  2217.69  208.007  2125.34  209.113  415.768   20.034  406.187   20.684 9.581299 28.79626 
1 1 1  -10   19    3 o  461.946   15.400  2706.35  177.648  2638.26  250.410  2775.34  252.062  452.356   22.168  464.238   21.743 -11.88193 31.05088 
1 1 1  -10   19    4 o  251.562   10.479  795.736   65.830  750.552   91.742  843.692   94.515  242.923   15.200  257.744   14.746 -14.82050 21.17726 
1 1 1  -10   19    5 o  239.657   10.541  722.114   63.084  728.338   87.939  715.515   90.548  239.455   14.779  237.166   15.372 2.289490 21.32362 
1 1 1  -10   19    6 o  104.456   10.406  138.462   26.783  125.674   36.281  153.777   39.704   98.528   15.238  109.268   14.943 -10.74002 21.34164 
1 1 1  -10   19    7 o  139.194   9.8722  244.511   34.093  273.325   45.943  209.203   50.859  146.730   12.663  127.443   16.358 19.28708 20.68674 
1 1 1  -10   19    8 o  246.410   10.576  763.023   65.078  767.573   90.597  758.172   93.542  245.956   14.820  244.282   15.413 1.673950 21.38218 
1 1 1  -10   19    9 o  233.626   10.412  685.677   60.744  664.641   84.229  708.474   87.684  228.839   14.819  236.263   14.939 -7.423950 21.04214 
1 1 1  -10   19   10 o  331.176   17.308  1395.85  142.642  1409.84  202.085  1381.96  201.369  329.630   24.731  326.251   24.905 3.379303 35.09775 
1 1 1  -10   19   11 o  603.174   27.910  4736.99  420.388  4836.08  594.898  4638.15  594.140  595.421   40.246  581.962   41.148 13.45880 57.55816 
1 1 1  -10   19   12 o  382.059   19.027  1858.45  181.534  1876.38  257.303  1840.69  256.157  379.150   27.360  375.419   27.515 3.731567 38.80260 
1 1 1  -10   19   13 o  188.253   9.8681  446.021   46.229  445.262   63.604  446.872   67.308  187.410   13.685  187.582   14.481 -0.1717987 19.92442 
1 1 1  -10   19   14 o  222.243   10.311  620.237   57.226  621.652   79.497  618.716   82.444  221.433   14.456  220.769   15.044 0.6641693 20.86381 
1 1 1  -10   19   15 o  428.388   14.685  2317.98  157.094  2301.11  221.280  2335.13  223.061  424.344   20.882  427.462   20.897 -3.118530 29.54198 
1 1 1  -10   19   16 o  361.682   13.017  1648.24  117.565  1655.64  165.183  1640.65  167.363  360.420   18.414  358.646   18.752 1.774567 26.28194 
1 1 1  -10   19   17 o  112.159   10.907  159.541   30.162  189.652   41.141  124.548   44.351  121.873   13.759   97.352   18.925 24.52060 23.39811 
1 1 1  -10   19   18 o  132.615   10.420  222.217   34.229  193.829   46.311  256.397   50.817  122.879   15.433  141.768   14.561 -18.88976 21.21774 
1 1 1  -10   19   19 o  317.906   12.255  1272.19   97.286  1306.99  136.641  1236.42  138.544  320.553   17.132  311.495   17.886 9.057861 24.76707 
1 1 1  -10   19   20 o  216.451   10.899  590.238   58.721  643.322   81.335  532.443   84.867  225.238   14.538  204.278   16.785 20.95964 22.20582 
1 1 1  -10   19   21 o  183.554   10.170  424.344   46.432  462.291   64.365  383.170   67.046  190.985   13.584  173.338   15.658 17.64661 20.72969 
1 1 1  -10   19   22 o   74.860   13.880   72.917   24.991   44.166   33.002  111.566   38.264   59.716   19.364   92.348   17.226 -32.63253 25.91745 
1 1 1  -10   19   23 o  126.036   10.579  200.952   32.989  215.205   44.674  183.859   48.922  129.852   13.998  119.282   16.896 10.57081 21.94178 
1 1 1  -10   19   24 o  259.040   11.330  843.822   73.290  852.254  102.141  834.874  105.222  258.983   15.870  256.129   16.540 2.854492 22.92193 
1 1 1  -10   19   25 o  441.860   15.360  2469.90  169.483  2558.11  238.670  2380.17  240.713  446.961   21.383  430.033   22.494 16.92825 31.03568 
1 1 1  -10   19   26 o  208.702   10.844  548.887   56.321  629.699   78.516  463.231   80.835  222.880   14.181  190.301   17.196 32.57837 22.28881 
1 1 1  -10   19   27 o  128.342   11.266  208.701   35.743  223.934   48.827  191.112   52.466  132.253   15.052  121.408   17.837 10.84570 23.33954 
1 1 1  -10   19   28 o  124.214   11.450  195.708   35.116  226.350   47.918  160.163   51.610  133.044   14.666  110.546   19.403 22.49856 24.32282 
1 1 1  -10   19   29 f  228.093   11.766  656.582   66.790  708.972   93.993  603.150   94.923  235.989   16.045  217.127   17.660 18.86163 23.86035 
1 1 1  -10   19   30 o  200.671   10.166  507.199   50.778  544.458   70.381  466.752   73.330  207.219   13.678  191.370   15.477 15.84814 20.65517 
1 1 1  -10   19   31 o  136.533   12.228  236.748   41.249  202.521   60.287  266.874   56.561  124.340   20.102  144.215   15.974 -19.87529 25.67609 
1 1 1  -10   19   32 o  163.361   29.360  360.986  115.369  360.986  115.369   0.0000   0.0000  163.361   29.360  ?   ?  0.000000 29.36001 
1 1 1  -10   19   33 o  288.073   17.602  1062.55  126.017  1039.83  193.824  1079.18  165.856  279.685   28.133  287.689   23.286 -8.003967 36.52020 
1 1 1  -10   19   34 o  101.638   19.107  136.627   46.715  216.822  103.423  116.072   52.361  124.404   32.818   92.789   22.768 31.61500 39.94221 
1 1 1  -10   19   35 o  176.874   14.794  400.671   64.742  450.118  133.611  385.498   74.011  180.666   30.715  172.643   17.405 8.023819 35.30312 
1 1 1  -10   19   36 f  199.638   14.303  510.072   70.835  541.323  144.248  500.141   81.315  197.925   30.136  196.810   16.703 1.115250 34.45544 
1 1 1  -10   19   37 o   89.085   18.867  106.561   40.665   64.346  115.091  112.583   43.469   85.248   34.609   91.414   19.629 -6.165970 39.78745 
1 1 1  -10   19   38 o  148.482   15.839  286.867   57.822  358.840  140.212  272.118   63.470  154.258   36.896  143.704   18.088 10.55475 41.09059 
1 1 1  -10   19   39 o  189.197   15.410  464.838   72.173  345.486  154.888  497.940   81.569  146.770   40.791  195.106   16.909 -48.33629 44.15719 
1 1 1  -10   19   40 o  173.245   15.489  391.797   66.303  210.179  153.682  433.335   73.495  114.840   41.612  181.809   16.363 -66.96931 44.71366 
1 1 1  -10   19   41 o   69.574   20.453   66.387   37.894   69.754  139.939   66.121   39.365   87.230   36.999   69.504   20.947 17.72561 42.51698 
1 1 1  -10   19   42 o  186.151   17.104  459.612   78.619   0.0000   0.0000  459.612   78.619  ?   ?   186.151   17.104 0.000000 17.10392 
1 1 1  -10   19   43 o   98.444   34.695  151.062  106.062   0.0000   0.0000  151.062  106.062  ?   ?    98.444   34.695 0.000000 34.69514 
1 1 1  -10   19   44 o  154.029   16.414  316.877   62.161  385.231  191.686  308.844   65.712  138.250   46.729  151.242   17.736 -12.99278 49.98112 
1 1 1  -10   19   45 o   99.223   19.783  138.388   47.299  159.554  205.341  137.202   48.606   99.484   43.509   98.433   20.443 1.051544 48.07194 
1 1 1  -10   19   46 o  170.227   16.641  392.212   69.832  272.816  226.969  404.696   73.392  109.455   46.791  172.425   17.278 -62.97014 49.87940 
1 1 1  -10   20    1 o  144.411   9.6768  263.414   34.695  257.921   48.058  269.394   50.140  142.069   13.717  145.153   14.007 -3.083572 19.60428 
1 1 1  -10   20    2 o  337.780   12.374  1440.88  104.374  1416.37  146.767  1465.95  148.462  332.478   17.741  338.315   17.634 -5.836304 25.01426 
1 1 1  -10   20    3 o  211.870   14.847  572.085   78.055  588.173  107.084  553.846  114.015  212.970   20.384  205.757   22.560 7.213318 30.40512 
1 1 1  -10   20    4 o  110.024   10.274  153.566   27.902  144.929   37.623  164.121   41.594  105.995   14.602  112.781   15.152 -6.786026 21.04268 
1 1 1  -10   20    5 o  107.244   10.199  145.908   26.986  137.273   36.016  156.960   40.748  103.177   14.369  110.263   15.203 -7.086037 20.91869 
1 1 1  -10   20    6 o   98.213   13.767  124.239   32.836   84.953   55.061  145.922   40.906   80.650   24.868  106.095   15.932 -25.44569 29.53388 
1 1 1  -10   20    7 o  285.018   12.796  1025.13   91.076  988.110  111.064  1101.14  159.138  278.549   16.035  291.644   22.013 -13.09518 27.23385 
1 1 1  -10   20    8 o  300.368   11.676  1136.30   87.578  1152.62  122.507  1119.23  125.247  300.847   16.368  296.217   17.003 4.630188 23.60137 
1 1 1  -10   20    9 o  442.791   15.170  2483.27  167.740  2471.27  236.257  2495.47  238.194  438.551   21.573  440.651   21.646 -2.099670 30.56088 
1 1 1  -10   20   10 o  202.801   9.8519  516.586   49.893  456.335   68.702  583.823   72.576  189.389   14.640  214.602   13.613 -25.21317 19.99164 
1 1 1  -10   20   11 o  428.451   14.564  2321.45  155.821  2272.17  219.312  2371.68  221.431  421.086   20.857  430.340   20.605 -9.254181 29.31836 
1 1 1  -10   20   12 o  287.147   11.322  1037.39   81.188  975.407  112.965  1103.60  116.764  276.819   16.415  294.667   15.927 -17.84702 22.87202 
1 1 1  -10   20   13 o  328.205   17.252  1372.17  140.897  1415.11  199.986  1329.86  198.537  330.073   24.436  319.599   25.078 10.47339 35.01463 
1 1 1  -10   20   14 o  521.094   24.441  3509.11  318.046  3635.09  450.777  3384.23  448.798  520.402   34.889  500.807   36.129 19.59488 50.22527 
1 1 1  -10   20   15 o  392.700   19.413  1967.76  190.375  2047.10  270.385  1889.75  268.092  395.430   27.554  379.240   28.517 16.18918 39.65441 
1 1 1  -10   20   16 o  252.896   10.789  803.947   68.138  792.298   94.723  816.440   98.090  249.774   15.260  253.478   15.572 -3.703568 21.80225 
1 1 1  -10   20   17 o  420.271   14.675  2232.84  154.009  2308.85  217.045  2155.77  218.567  424.905   20.455  409.588   21.444 15.31735 29.63536 
1 1 1  -10   20   18 o  255.622   10.604  821.163   67.687  779.880   93.687  866.240   97.899  247.821   15.212  261.269   15.069 -13.44745 21.41250 
1 1 1  -10   20   19 o  228.737   10.481  657.416   59.867  633.342   82.775  683.821   86.690  223.308   14.930  232.045   15.042 -8.737167 21.19317 
1 1 1  -10   20   20 o  298.247   11.893  1119.71   88.579  1162.75  123.810  1074.59  126.781  302.379   16.459  290.285   17.572 12.09348 24.07636 
1 1 1  -10   20   21 o  202.306   10.829  515.928   54.507  541.779   74.670  486.440   79.751  206.545   14.571  195.181   16.517 11.36440 22.02554 
1 1 1  -10   20   22 o  234.085   10.965  688.935   64.093  719.520   89.057  656.073   92.314  238.041   15.060  226.904   16.403 11.13683 22.26731 
1 1 1  -10   20   23 o  151.988   10.675  291.730   40.260  297.337   55.087  285.302   58.985  152.701   14.625  149.223   16.083 3.477798 21.73862 
1 1 1  -10   20   24 o  327.349   12.880  1350.80  105.285  1561.69  148.206  1135.95  149.594  350.767   16.920  297.472   20.259 53.29480 26.39497 
1 1 1  -10   20   25 o  427.008   14.825  2305.72  158.078  2376.89  222.300  2232.92  224.833  430.996   20.655  416.714   21.681 14.28259 29.94437 
1 1 1  -10   20   26 f  306.938   12.627  1187.29   96.784  1318.53  135.698  1051.41  138.079  321.847   16.944  286.427   19.419 35.42004 25.77214 
1 1 1  -10   20   27 o  266.072   11.686  891.077   77.647  908.343  108.022  872.619  111.690  267.164   16.269  261.549   17.196 5.615021 23.67257 
1 1 1  -10   20   28 o  207.472   11.202  543.048   57.823  584.703   80.293  498.172   83.340  214.427   15.091  197.322   17.082 17.10460 22.79334 
1 1 1  -10   20   29 o  324.434   13.296  1328.51  107.723  1425.69  151.245  1228.45  153.465  334.064   18.199  309.302   19.976 24.76205 27.02275 
1 1 1  -10   20   30 o  152.044   14.371  294.898   53.918  240.830  105.957  313.790   62.633  132.105   32.372  156.425   16.272 -24.31995 36.23172 
1 1 1  -10   20   31 o  288.020   27.121  1094.05  192.766  1094.05  192.766   0.0000   0.0000  288.020   27.121  ?   ?  0.000000 27.12074 
1 1 1  -10   20   32 o  325.570   18.356  1358.66  148.623  1355.50  222.365  1361.21  199.810  319.711   28.139  322.347   25.018 -2.635712 37.65247 
1 1 1  -10   20   33 o  304.621   17.542  1189.27  132.876  1236.91  200.843  1152.19  177.199  305.700   26.574  296.441   24.147 9.259491 35.90598 
1 1 1  -10   20   34 o  147.653   12.193  277.405   44.554  264.940   56.941  297.086   71.549  143.249   16.203  150.754   19.460 -7.505157 25.32233 
1 1 1  -10   20   35 o  199.302   11.098  503.185   55.015  508.893   76.645  497.119   79.015  199.079   15.540  196.495   16.249 2.582977 22.48401 
1 1 1  -10   20   36 o  209.284   15.100  562.693   78.388  617.256  159.059  545.190   90.088  210.220   31.250  204.881   17.785 5.339111 35.95646 
1 1 1  -10   20   37 o   79.592   19.897   85.916   39.441  201.230  112.862   69.875   42.095  116.847   35.526   72.210   21.639 44.63630 41.59686 
1 1 1  -10   20   38 o  271.769   15.084  952.975  101.969  1133.82  198.066  887.755  118.943  285.612   28.136  260.223   18.423 25.38895 33.63074 
1 1 1  -10   20   39 o  221.284   14.997  634.684   82.380  599.067  170.483  645.534   94.095  199.385   35.544  221.965   17.108 -22.57986 39.44643 
1 1 1  -10   20   40 o  117.368   18.069  184.783   51.260   88.568  136.671  200.533   55.297   90.300   37.303  122.054   18.742 -31.75468 41.74656 
1 1 1  -10   20   41 o   61.013   20.922   47.596   38.431   42.486  140.643   48.008   39.952   82.975   36.155   61.503   21.318 21.47174 41.97208 
1 1 1  -10   20   42 o  142.855   16.806  271.742   58.806  329.007  167.555  263.697   62.801  134.994   43.617  139.839   18.433 -4.844147 47.35267 
1 1 1  -10   20   43 o   98.041   35.994  150.712  115.530   0.0000   0.0000  150.712  115.530  ?   ?    98.041   35.994 0.000000 35.99417 
1 1 1  -10   20   44 o   85.464   32.042  106.275   92.448   5.5145  178.031  143.477  108.176   81.890   37.707   95.101   34.843 -13.21114 51.34031 
1 1 1  -10   20   45 o   72.087   21.271   74.319   40.918   9.7327  188.443   77.515   41.918   82.184   38.175   73.489   21.485 8.695274 43.80621 
1 1 1  -10   21    1 o  298.062   11.544  1121.52   85.920  1081.80  120.376  1162.76  122.676  290.581   16.659  301.425   16.359 -10.84381 23.34804 
1 1 1  -10   21    2 o  110.952   10.447  156.393   28.605  140.100   39.056  175.248   42.014  103.845   15.538  116.574   14.764 -12.72845 21.43366 
1 1 1  -10   21    3 o  209.266   10.017  551.100   52.346  493.316   72.597  613.675   75.547  196.527   14.904  219.632   13.845 -23.10466 20.34217 
1 1 1  -10   21    4 o  152.310   9.6936  292.891   36.678  285.358   50.071  301.612   53.878  149.541   13.556  153.616   14.206 -4.074661 19.63588 
1 1 1  -10   21    5 o  156.695   23.262  324.903   88.261   0.0000   0.0000  324.903   88.261  ?   ?   156.695   23.262 0.000000 23.26225 
1 1 1  -10   21    6 o  147.691   20.360  285.285   73.095  285.285   73.095   0.0000   0.0000  147.691   20.360  ?   ?  0.000000 20.36046 
1 1 1  -10   21    7 o  345.604   12.580  1508.11  108.574  1511.74  152.210  1504.35  154.920  343.685   17.796  342.665   18.169 1.019867 25.43277 
1 1 1  -10   21    8 o  284.293   11.303  1018.10   80.244  1010.37  112.049  1026.24  114.971  281.540   16.003  283.641   16.300 -2.100952 22.84320 
1 1 1  -10   21    9 o  229.465   10.470  662.342   59.992  627.135   82.622  701.604   87.250  221.939   14.996  234.811   14.958 -12.87291 21.18032 
1 1 1  -10   21   10 o  134.817   10.082  229.729   33.696  199.316   45.525  266.577   50.111  124.571   14.932  144.509   14.065 -19.93775 20.51309 
1 1 1  -10   21   11 o  292.866   13.846  1084.42  101.260  1178.55  172.600  1035.02  125.040  301.189   23.125  284.488   17.688 16.70114 29.11424 
1 1 1  -10   21   12 o  187.989   10.122  445.440   47.341  470.785   64.827  416.480   69.297  192.573   13.567  180.599   15.516 11.97417 20.61125 
1 1 1  -10   21   13 o  140.099   10.159  247.956   35.300  220.287   47.623  281.697   52.590  131.114   14.805  148.565   14.354 -17.45113 20.62089 
1 1 1  -10   21   14 o  195.434   10.158  481.271   49.405  457.656   67.620  508.311   72.357  189.692   14.382  199.916   14.595 -10.22398 20.49016 
1 1 1  -10   21   15 o  259.992   11.156  850.573   72.429  878.292  100.737  820.908  104.211  262.841   15.415  253.736   16.537 9.105133 22.60766 
1 1 1  -10   21   16 o  396.336   19.567  2007.97  193.661  2099.24  275.188  1918.41  272.587  399.768   27.737  381.329   28.839 18.43896 40.01298 
1 1 1  -10   21   17 o  388.246   19.209  1924.94  186.235  2054.44  265.105  1798.76  261.681  396.047   26.966  369.410   28.590 26.63712 39.30036 
1 1 1  -10   21   18 o  316.829   16.973  1278.97  133.802  1341.76  191.283  1218.81  187.233  321.371   24.009  305.857   24.725 15.51431 34.46381 
1 1 1  -10   21   19 o  377.481   19.097  1823.15  179.432  1885.92  256.101  1762.63  251.471  379.296   27.220  366.330   27.694 12.96637 38.83116 
1 1 1  -10   21   20 o  307.473   12.349  1191.39   94.817  1209.66  131.807  1171.79  136.498  308.038   17.204  302.819   18.134 5.219208 24.99634 
1 1 1  -10   21   21 o  371.413   13.680  1741.98  126.879  1771.50  177.842  1711.38  181.069  372.060   19.207  365.340   19.922 6.719879 27.67311 
1 1 1  -10   21   22 o  263.255   11.540  872.291   75.862  931.687  105.304  808.204  109.383  270.735   15.642  251.516   17.525 19.21941 23.49065 
1 1 1  -10   21   23 o  398.407   14.411  2006.75  143.372  2066.43  201.363  1945.39  204.184  401.958   20.061  388.998   21.099 12.96021 29.11331 
1 1 1  -10   21   24 o  221.247   10.971  615.644   60.613  653.991   83.725  573.412   87.864  226.885   14.859  211.883   16.742 15.00192 22.38548 
1 1 1  -10   21   25 o  214.083   11.407  578.374   60.764  634.303   83.806  516.385   88.230  223.354   15.114  200.700   17.789 22.65404 23.34266 
1 1 1  -10   21   26 o  216.516   11.302  591.487   60.897  607.567   84.061  573.729   88.341  218.458   15.510  211.893   16.834 6.566010 22.88974 
1 1 1  -10   21   27 o  216.909   11.305  593.691   61.024  618.713   83.914  565.606   88.903  220.488   15.336  210.283   17.078 10.20517 22.95288 
1 1 1  -10   21   28 o  237.720   11.531  711.521   68.454  739.801   94.420  680.187   99.387  241.035   15.774  230.590   17.388 10.44397 23.47651 
1 1 1  -10   21   29 o  136.255   11.440  235.372   38.564  239.668   51.761  230.011   57.816  136.668   15.437  133.259   17.820 3.409470 23.57672 
1 1 1  -10   21   30 o  294.660   23.756  1131.47  173.316   0.0000   0.0000  1131.47  173.316  ?   ?   294.660   23.756 0.000000 23.75593 
1 1 1  -10   21   31 o  370.401   18.810  1759.94  173.418  1968.80  254.947  1580.09  236.581  386.807   26.555  345.616   27.643 41.19144 38.33137 
1 1 1  -10   21   32 o  294.826   17.303  1113.37  126.832  1154.02  191.898  1081.84  169.010  295.423   26.287  287.436   23.759 7.986389 35.43297 
1 1 1  -10   21   33 o  206.077   16.061  544.548   81.999  564.059  136.109  533.432  102.737  204.910   27.277  202.247   20.631 2.663193 34.20049 
1 1 1  -10   21   34 o   84.003   14.323   92.120   28.968   86.332   37.766  100.392   45.149   80.280   19.113   86.276   21.125 -5.996727 28.48856 
1 1 1  -10   21   35 o   79.744   13.922   83.179   26.715   58.102   34.030  123.453   43.126   66.252   19.355   96.262   18.614 -30.00963 26.85355 
1 1 1  -10   21   36 o   85.906   13.844   96.364   28.689   85.180   37.381  112.392   44.751   79.448   19.081   91.143   20.194 -11.69451 27.78248 
1 1 1  -10   21   37 o  120.910   17.234  192.768   50.562  139.314  120.195  204.261   55.734  100.878   36.762  124.020   18.567 -23.14210 41.18497 
1 1 1  -10   21   38 o  167.701   15.124  365.293   62.654  372.923  137.775  363.304   70.350  156.559   35.993  166.319   17.186 -9.759384 39.88568 
1 1 1  -10   21   39 o  186.539   15.469  453.733   71.407  613.698  163.236  415.879   79.408  203.114   33.340  177.099   18.215 26.01480 37.99163 
1 1 1  -10   21   40 o   73.573   20.746   74.863   39.762  235.648  131.159   58.590   41.726  120.245   38.563   66.375   21.787 53.87008 44.29191 
1 1 1  -10   21   41 o  206.127   15.605  557.398   79.728  529.749  174.100  564.735   89.685  179.011   39.959  206.161   17.589 -27.14999 43.65833 
1 1 1  -10   21   42 o  101.570   19.774  142.652   48.350 -48.3387  149.771  164.872   51.085   73.024   33.958  109.575   19.378 -36.55005 39.09831 
1 1 1  -10   21   43 o  168.730   18.544  385.473   76.844   0.0000   0.0000  385.473   76.844  ?   ?   168.730   18.544 0.000000 18.54356 
1 1 1  -10   21   44 o  101.262   36.998  173.194  121.856   0.0000   0.0000  173.194  121.856  ?   ?   101.262   36.998 0.000000 36.99818 
1 1 1  -10   21   45 o   98.386   34.043  163.011  101.865  379.901  206.310   93.091  117.140  128.751   47.946   83.291   34.482 45.46002 59.05767 
1 1 1  -10   22    1 f  164.306   13.188  344.416   53.654  393.911   77.907  299.762   73.999  174.199   18.177  151.052   20.118 23.14685 27.11343 
1 1 1  -10   22    2 o  180.895   10.030  413.382   45.132  377.890   62.652  451.665   65.069  171.756   14.750  188.119   13.951 -16.36292 20.30263 
1 1 1  -10   22    3 o  120.313   10.516  183.773   31.276  162.722   42.965  207.504   45.617  111.954   15.808  126.973   14.656 -15.01899 21.55671 
1 1 1  -10   22    4 o  215.261   15.142  592.206   80.877   0.0000   0.0000  592.206   80.877  ?   ?   215.261   15.142 0.000000 15.14205 
1 1 1  -10   22    5 o  120.632   12.588  185.922   37.361  198.265   42.304  142.164   79.651  124.322   13.862  101.845   29.572 22.47752 32.65952 
1 1 1  -10   22    6 o   96.738   11.579  119.704   27.416  125.910   36.437  111.607   41.622   98.416   15.325   91.707   18.806 6.709465 24.25935 
1 1 1  -10   22    7 o  237.593   15.872  721.448   93.626  789.970  127.448  641.114  137.996  246.647   20.888  219.882   25.612 26.76509 33.04979 
1 1 1  -10   22    8 o  213.557   15.449  582.487   81.834  617.905  110.812  540.000  121.367  218.141   20.586  202.169   24.543 15.97243 32.03355 
1 1 1  -10   22    9 o  296.793   11.525  1110.58   85.417  1088.14  119.125  1134.32  122.543  291.900   16.409  297.999   16.532 -6.098785 23.29313 
1 1 1  -10   22   10 o  127.161   10.434  204.816   32.840  187.378   43.777  227.259   49.664  120.686   14.838  132.981   15.230 -12.29444 21.26354 
1 1 1  -10   22   11 o  272.015   11.456  932.454   77.817  1032.55  108.678  827.138  111.476  284.814   15.337  254.008   17.685 30.80608 23.40880 
1 1 1  -10   22   12 o  307.957   11.979  1195.99   92.123  1231.32  128.734  1158.90  131.887  310.621   16.657  300.933   17.627 9.688568 24.25224 
1 1 1  -10   22   13 o  226.971   10.665  648.247   60.447  665.354   83.426  629.339   87.704  228.704   14.685  222.042   15.923 6.662460 21.66105 
1 1 1  -10   22   14 o  168.282   10.252  357.399   42.877  372.850   58.123  338.951   63.508  171.190   13.711  162.656   15.836 8.534088 20.94720 
1 1 1  -10   22   15 o  202.649   10.385  517.781   52.377  507.168   71.434  530.121   77.026  199.657   14.425  203.931   15.235 -4.273300 20.98062 
1 1 1  -10   22   16 o  271.742   11.344  929.866   76.978  936.823  107.059  922.420  110.763  271.220   15.876  268.883   16.577 2.336884 22.95322 
1 1 1  -10   22   17 o  325.630   12.272  1337.02   99.794  1334.59  139.149  1339.60  143.198  323.344   17.296  323.751   17.780 -0.4068909 24.80503 
1 1 1  -10   22   18 o  135.098   10.940  231.130   36.591  236.687   49.251  224.283   54.669  135.961   14.742  131.763   17.012 4.197739 22.51090 
1 1 1  -10   22   19 o  336.132   12.694  1425.40  106.548  1422.42  148.518  1428.55  152.943  333.643   17.891  334.142   18.400 -0.4987183 25.66423 
1 1 1  -10   22   20 o  297.268   16.722  1126.48  123.629  1084.80  177.233  1165.99  172.538  288.155   24.874  299.638   23.241 -11.48218 34.04178 
1 1 1  -10   22   21 f  165.171   14.544  347.782   59.376  319.712   88.674  370.598   79.943  155.736   23.535  169.281   19.254 -13.54506 30.40743 
1 1 1  -10   22   22 o  433.684   21.142  2415.17  228.968  2483.25  326.414  2349.23  321.267  432.534   30.414  420.317   30.823 12.21716 43.30196 
1 1 1  -10   22   23 o  215.456   15.094  590.756   80.700  558.603  119.197  617.968  109.654  206.727   23.508  218.757   20.305 -12.03036 31.06260 
1 1 1  -10   22   24 o  299.267   17.259  1143.04  128.435  1070.99  186.631  1207.87  177.019  285.504   26.478  304.933   23.426 -19.42926 35.35372 
1 1 1  -10   22   25 o  116.028   16.926  174.555   47.598  137.611   77.773  196.680   60.185  100.966   29.193  122.368   20.415 -21.40209 35.62309 
1 1 1  -10   22   26 o  152.874   15.413  299.150   58.038  293.265   91.837  303.063   74.888  148.231   25.744  152.587   20.146 -4.356079 32.68990 
1 1 1  -10   22   27 o  207.336   15.890  548.677   81.643  416.826  123.333  651.524  108.927  175.942   29.088  224.822   19.598 -48.88040 35.07367 
1 1 1  -10   22   28 o  436.051   21.253  2445.96  231.420  2588.34  333.732  2314.08  321.184  440.906   30.498  416.264   31.123 24.64224 43.57556 
1 1 1  -10   22   29 o  217.179   15.742  601.972   84.797  659.878  135.038  564.273  108.958  224.113   24.529  208.386   21.235 15.72668 32.44406 
1 1 1  -10   22   30 o  248.113   25.328  811.288  154.728  811.288  154.728   0.0000   0.0000  248.113   25.328  ?   ?  0.000000 25.32808 
1 1 1  -10   22   31 o  429.472   21.320  2383.19  228.651  2458.89  330.221  2313.46  316.911  427.272   31.164  414.723   30.821 12.54932 43.83060 
1 1 1  -10   22   32 o  129.799   17.426  219.156   55.055  317.890  108.101  184.577   63.974  152.036   29.537  117.346   22.652 34.68898 37.22317 
1 1 1  -10   22   33 o  149.028   11.340  282.099   41.886  272.984   56.216  293.474   62.801  145.450   15.728  150.468   17.012 -5.018158 23.16845 
1 1 1  -10   22   34 f   86.365   13.535   96.985   28.232   96.447   36.319   97.805   44.879   85.097   17.669   84.995   21.212 0.1019516 27.60713 
1 1 1  -10   22   35 o  114.018   12.751  167.186   35.684  177.590   47.764  154.043   53.683  116.323   16.941  106.894   20.860 9.428543 26.87207 
1 1 1  -10   22   36 o  276.418   12.946  973.840   89.363  1095.62  126.138  851.132  126.621  290.307   17.481  254.115   20.118 36.19238 26.65203 
1 1 1  -10   22   37 o  109.294   12.404  154.139   33.255  135.562   43.900  179.151   50.940  100.581   18.146  115.957   18.191 -15.37538 25.69375 
1 1 1  -10   22   38 o   69.162   21.043   64.702   39.588  115.662  114.660   57.806   42.181   93.426   35.536   66.409   21.910 27.01759 41.74775 
1 1 1  -10   22   39 o  106.088   18.808  152.546   48.002  243.882  127.165  137.369   51.837  123.141   37.763   99.440   21.501 23.70145 43.45509 
1 1 1  -10   22   40 o  174.374   15.564  399.155   67.061  414.637  151.740  395.398   74.757  159.454   38.536  172.385   17.614 -12.93108 42.37058 
1 1 1  -10   22   41 o  176.490   16.746  413.200   72.920  438.705  163.736  406.890   81.443  160.474   40.776  173.630   19.099 -13.15562 45.02722 
1 1 1  -10   22   42 o  147.661   17.042  291.800   61.687  344.704  174.128  284.207   65.966  135.310   44.511  144.756   18.685 -9.446167 48.27330 
1 1 1  -10   22   43 f  175.038   16.606  409.353   71.715  328.688  184.939  423.630   77.802  128.086   45.742  177.226   17.821 -49.13997 49.09106 
1 1 1  -10   22   44 f   72.597   32.379   20.053  119.184   0.0000   0.0000   20.053  119.184  ?   ?    72.597   32.379 0.000000 32.37944 
1 1 1  -10   22   45 o   79.128   32.482   81.853  102.788  307.022  191.594  -9.1463  121.800  117.475   45.611   68.397   31.381 49.07782 55.36319 
1 1 1  -10   23    1 o  219.329   10.586  607.253   57.978  599.754   81.394  614.977   82.607  216.240   15.169  218.967   15.202 -2.726791 21.47529 
1 1 1  -10   23    2 o  164.536   13.635  346.199   55.518  310.841   80.483  378.298   76.684  153.113   21.653  170.495   18.297 -17.38199 28.34906 
1 1 1  -10   23    3 o  124.260   13.998  198.588   42.681  201.351   61.449  196.013   59.326  123.099   20.726  121.581   20.253 1.517746 28.97840 
1 1 1  -10   23    4 o  303.197   11.815  1162.07   89.456  1062.72  125.086  1266.08  127.984  287.355   17.515  314.315   16.362 -26.95993 23.96889 
1 1 1  -10   23    5 o  203.336   10.469  522.472   52.977  549.092   72.597  492.148   77.483  207.476   14.096  195.773   15.989 11.70311 21.31487 
1 1 1  -10   23    6 o  130.719   10.270  216.540   33.255  142.680   44.444  310.503   50.128  104.193   17.716  156.076   12.979 -51.88349 21.96141 
1 1 1  -10   23    7 o  402.409   14.164  2055.27  142.331  1987.59  199.882  2124.88  202.722  391.782   20.502  405.905   20.000 -14.12274 28.64111 
1 1 1  -10   23    8 o  205.738   9.7268  532.531   49.973  482.721   68.345  589.754   73.255  194.570   14.163  215.298   13.696 -20.72818 19.70274 
1 1 1  -10   23    9 o  170.160   12.020  367.390   50.745  380.222   58.759  329.735  100.657  172.704   13.738  156.324   26.746 16.38005 30.06834 
1 1 1  -10   23   10 o  305.201   17.875  1195.49  135.640  1302.76  186.398  1074.75  197.753  315.382   23.844  283.601   28.301 31.78070 37.00645 
1 1 1  -10   23   11 o  279.257   13.758  987.682   95.940  1154.60  163.433  899.918  118.508  297.882   22.129  264.652   18.039 33.22931 28.54996 
1 1 1  -10   23   12 o  132.452   10.515  222.204   34.492  228.394   46.167  214.384   51.890  133.565   14.053  128.744   16.521 4.820831 21.68923 
1 1 1  -10   23   13 o  164.605   10.242  342.189   41.890  331.446   56.249  355.568   62.767  161.165   14.119  166.677   15.249 -5.512497 20.78163 
1 1 1  -10   23   14 o  252.171   11.057  800.995   69.626  796.784   96.036  805.661  101.091  250.014   15.458  251.156   16.205 -1.141663 22.39516 
1 1 1  -10   23   15 o  183.844   10.398  426.578   47.542  426.098   64.073  427.166   70.915  182.913   14.137  182.732   15.693 0.1813812 21.12186 
1 1 1  -10   23   16 o  185.552   10.464  434.536   48.290  463.514   65.346  399.672   71.676  190.922   13.799  176.521   16.450 14.40125 21.47100 
1 1 1  -10   23   17 o  129.992   10.962  214.219   35.253  249.845   47.092  168.806   53.169  139.915   13.652  113.308   19.494 26.60735 23.79891 
1 1 1  -10   23   18 o  125.296   11.121  199.199   34.433  206.674   45.965  189.640   51.980  126.888   14.784  120.733   17.773 6.154610 23.11749 
1 1 1  -10   23   19 o  306.946   12.086  1188.11   92.643  1168.22  128.504  1209.63  133.683  302.427   17.085  307.598   17.476 -5.170349 24.44009 
1 1 1  -10   23   20 o   87.063   13.649   98.052   28.699  101.353   38.270   93.809   43.382   87.595   18.094   83.843   20.816 3.752075 27.58102 
1 1 1  -10   23   21 o  157.584   10.767  313.908   42.118  312.791   56.484  315.306   63.207  156.498   14.623  156.689   16.397 -0.1907501 21.97004 
1 1 1  -10   23   22 o  232.739   10.856  681.705   63.094  655.348   85.884  712.609   92.997  226.840   15.250  236.402   15.845 -9.562302 21.99142 
1 1 1  -10   23   23 o  255.198   11.053  819.865   70.436  821.376   96.219  818.121  103.390  254.066   15.236  253.171   16.443 0.8953094 22.41656 
1 1 1  -10   23   24 o  280.095   12.155  989.372   85.018  1097.11  117.756  872.064  122.874  293.427   16.133  260.460   19.023 32.96683 24.94275 
1 1 1  -10   23   25 o  213.263   11.373  574.471   60.347  604.767   82.249  539.144   88.817  217.860   15.214  204.959   17.522 12.90102 23.20489 
1 1 1  -10   23   26 o  192.564   14.450  472.178   68.980  624.554  123.351  402.842   83.207  218.655   22.932  176.432   19.196 42.22366 29.90575 
1 1 1  -10   23   27 o  231.334   14.589  680.734   83.848  702.442  143.689  669.526  103.250  230.847   25.343  228.226   18.270 2.621002 31.24149 
1 1 1  -10   23   28 o  290.595   15.539  1075.64  112.352  1103.30  193.511  1061.58  137.992  288.595   27.171  287.128   19.358 1.467804 33.36197 
1 1 1  -10   23   29 o   78.693   28.006   73.128   69.268  155.679   84.032 -101.8666  122.348  106.477   30.207   64.772   30.309 41.70515 42.79116 
1 1 1  -10   23   30 o  238.316   11.807  716.955   70.266  781.692   96.263  643.125  102.801  247.354   15.665  223.204   18.613 24.15018 24.32801 
1 1 1  -10   23   31 o  163.996   11.584  341.245   47.136  356.816   63.561  322.217   70.264  166.707   15.444  157.497   18.200 9.210129 23.86963 
1 1 1  -10   23   32 o  227.691   11.967  657.570   67.805  683.446   93.095  628.334   98.955  230.638   16.268  220.338   18.146 10.29968 24.37057 
1 1 1  -10   23   33 o  282.092   12.501  1009.23   88.061  1083.42  122.383  929.576  126.809  289.933   16.977  267.365   19.119 22.56821 25.56910 
1 1 1  -10   23   34 o  181.736   11.714  420.311   52.878  473.486   72.244  358.953   77.604  191.732   15.214  165.255   19.161 26.47760 24.46630 
1 1 1  -10   23   35 o  213.893   11.968  582.984   63.668  578.841   87.832  587.571   92.424  211.089   16.801  212.291   17.593 -1.202332 24.32677 
1 1 1  -10   23   36 o  125.612   12.143  202.705   37.614  203.886   50.090  201.178   56.957  124.536   16.514  122.639   19.230 1.897087 25.34777 
1 1 1  -10   23   37 o   80.570   14.421   85.884   27.950   99.700   35.816   64.369   44.696   86.070   17.265   69.556   22.533 16.51376 28.38694 
1 1 1  -10   23   38 o   90.396   13.506  107.189   29.554  104.818   37.898  110.868   47.210   87.922   17.870   89.246   21.449 -1.324188 27.91800 
1 1 1  -10   23   39 o  128.973   17.342  222.121   54.438  235.472  138.869  219.697   59.175  119.030   39.775  127.358   19.203 -8.328667 44.16825 
1 1 1  -10   23   40 o   69.672   21.744   66.777   41.954 -79.2982  133.976   82.658   44.175   66.554   31.324   76.704   21.951 -10.14962 38.24984 
1 1 1  -10   23   41 o   80.393   21.851   91.611   45.017 -18.9958  136.771  105.050   47.673   73.157   33.450   85.949   22.091 -12.79176 40.08638 
1 1 1  -10   23   42 o  195.243   15.833  504.845   76.530  523.971  175.991  500.385   84.986  172.786   41.342  192.911   17.844 -20.12517 45.02803 
1 1 1  -10   23   43 o   82.684   21.771   98.350   45.571   60.270  161.992  101.623   47.489   85.088   37.864   83.847   22.295 1.240372 43.94077 
1 1 1  -10   23   44 o   52.265   21.023   24.229   42.044   0.0000   0.0000   24.229   42.044  ?   ?    52.265   21.023 0.000000 21.02271 
1 1 1  -10   23   45 o  104.073   39.469  209.083  141.182   0.0000   0.0000  209.083  141.182  ?   ?   104.073   39.469 0.000000 39.46899 
1 1 1  -10   24    1 o  211.906   10.868  569.352   57.315  511.569   80.526  628.683   81.597  198.908   16.357  221.270   14.853 -22.36230 22.09455 
1 1 1  -10   24    2 o  258.290   11.134  843.836   71.812  857.762  100.995  829.596  102.128  258.323   15.731  253.814   16.198 4.508713 22.57944 
1 1 1  -10   24    3 o  174.234   15.202  390.628   65.482   0.0000   0.0000  390.628   65.482  ?   ?   174.234   15.202 0.000000 15.20241 
1 1 1  -10   24    4 o   81.257   23.281   89.119   49.666   89.119   49.666   0.0000   0.0000   81.257   23.281  ?   ?  0.000000 23.28135 
1 1 1  -10   24    5 f  215.539   14.212  593.540   76.064  664.562  108.541  525.002  106.627  225.965   19.424  199.625   21.741 26.34093 29.15433 
1 1 1  -10   24    6 o  214.452   10.399  579.924   55.688  488.867   76.495  682.599   81.228  195.039   15.843  231.296   14.131 -36.25687 21.22916 
1 1 1  -10   24    7 o  123.267   10.972  193.223   33.420  171.180   45.104  220.058   49.766  114.706   16.197  130.487   15.581 -15.78109 22.47443 
1 1 1  -10   24    8 o  365.616   13.438  1695.28  122.689  1700.89  172.040  1689.47  175.016  362.950   19.048  361.466   19.461 1.484222 27.23159 
1 1 1  -10   24    9 o  141.854   10.648  255.053   37.443  288.511   50.545  214.365   55.739  150.243   13.620  128.162   17.905 22.08124 22.49650 
1 1 1  -10   24   10 o  114.209   11.229  166.100   31.611  187.600   42.184  138.565   47.739  120.765   14.263  102.201   19.415 18.56423 24.09154 
1 1 1  -10   24   11 o  154.005   10.540  300.169   40.290  302.918   53.734  296.639   60.895  153.895   14.140  151.680   16.334 2.215302 21.60464 
1 1 1  -10   24   12 o  246.630   16.313  778.761   99.901  815.415  134.481  733.627  149.230  250.033   21.755  235.022   25.855 15.01146 33.78982 
1 1 1  -10   24   13 o  257.951   16.531  851.836  105.922  887.665  142.783  807.988  157.954  260.841   22.129  246.768   26.025 14.07349 34.16154 
1 1 1  -10   24   14 o  156.001   10.666  307.920   41.302  320.583   55.561  292.281   61.747  158.403   14.197  150.523   16.709 7.880554 21.92591 
1 1 1  -10   24   15 o  169.385   10.359  362.477   43.606  351.409   58.327  376.503   65.658  165.912   14.215  171.428   15.505 -5.515625 21.03539 
1 1 1  -10   24   16 o   79.904   14.638   83.432   28.132   97.755   36.654   62.898   43.887   85.989   17.661   70.082   22.289 15.90747 28.43785 
1 1 1  -10   24   17 o  157.251   10.710  312.781   41.806  289.169   55.732  343.165   63.219  150.210   15.061  163.593   15.667 -13.38225 21.73170 
1 1 1  -10   24   18 o  126.374   11.274  202.817   35.206  185.475   46.332  226.512   54.157  119.789   15.880  132.344   16.763 -12.55500 23.09026 
1 1 1  -10   24   19 f  277.568   11.515  971.263   79.812  971.169  109.821  971.369  116.189  275.888   16.009  275.555   16.968 0.3331299 23.32817 
1 1 1  -10   24   20 o  309.668   12.395  1210.67   95.851  1230.48  132.832  1189.15  138.451  310.161   17.218  304.426   18.297 5.735596 25.12447 
1 1 1  -10   24   21 o  296.752   12.009  1110.99   88.991  1113.94  122.851  1107.73  129.085  295.273   16.730  294.068   17.660 1.205383 24.32637 
1 1 1  -10   24   22 o  176.999   10.925  395.999   48.053  392.978   64.083  399.880   72.630  175.441   14.765  176.457   16.680 -1.016464 22.27623 
1 1 1  -10   24   23 o  409.771   14.698  2129.32  150.402  2181.26  210.145  2074.77  215.350  411.793   20.436  400.398   21.618 11.39471 29.74821 
1 1 1  -10   24   24 o  245.393   11.542  759.148   70.726  750.943   96.440  768.696  104.035  242.492   16.016  244.970   17.114 -2.478516 23.43948 
1 1 1  -10   24   25 o  307.692   12.162  1194.92   93.452  1248.83  129.238  1135.85  135.292  312.695   16.610  297.460   18.302 15.23428 24.71590 
1 1 1  -10   24   26 o  212.608   11.164  571.159   59.067  600.531   80.091  536.131   87.462  217.044   14.866  204.266   17.309 12.77870 22.81707 
1 1 1  -10   24   27 o  336.921   13.178  1436.18  110.874  1457.21  153.670  1413.33  160.127  336.859   18.337  331.164   19.448 5.695068 26.72980 
1 1 1  -10   24   28 f  260.336   13.515  860.687   87.559  843.724  138.502  871.981  113.006  254.260   22.031  260.591   17.467 -6.330078 28.11530 
1 1 1  -10   24   29 o  105.856   13.210  144.034   34.160  127.592   44.141  168.585   53.939   98.164   18.689  112.854   19.865 -14.69008 27.27486 
1 1 1  -10   24   30 f  185.428   11.168  435.551   51.472  416.644   68.743  459.677   77.653  180.171   15.428  188.905   16.631 -8.734222 22.68471 
1 1 1  -10   24   31 o  111.084   12.543  158.268   34.185  146.231   44.273  176.041   53.796  105.434   17.424  115.293   19.372 -9.859100 26.05526 
1 1 1  -10   24   32 o  129.913   12.120  215.696   38.864  231.040   51.323  195.069   59.504  133.494   15.695  120.957   20.428 12.53731 25.76101 
1 1 1  -10   24   33 o   84.041   14.106   92.446   28.554   76.519   36.146  118.882   46.569   75.318   19.170   93.722   20.471 -18.40379 28.04523 
1 1 1  -10   24   34 o  209.930   11.798  561.419   61.598  628.541   84.372  484.807   90.140  220.653   15.409  191.964   19.056 28.68939 24.50618 
1 1 1  -10   24   35 o   79.080   14.908   82.859   28.361  112.777   36.344   36.274   45.351   92.127   16.399   59.090   22.379 33.03763 27.74436 
1 1 1  -10   24   36 o   55.929   15.924   41.627   23.309   34.280   28.300   57.125   41.103   52.741   17.954   66.011   21.621 -13.26976 28.10378 
1 1 1  -10   24   37 o  117.625   12.283  178.807   35.547  190.170   46.707  163.166   54.799  119.995   15.985  108.960   20.900 11.03500 26.31227 
1 1 1  -10   24   38 o   93.026   13.288  113.469   29.992  116.937   38.451  108.081   47.926   93.083   17.175   87.716   21.937 5.367393 27.86014 
1 1 1  -10   24   39 f  136.786   12.470  242.374   42.127  284.936   56.777  190.248   62.834  146.909   15.721  116.453   22.420 30.45554 27.38272 
1 1 1  -10   24   40 o   72.846   22.081   74.263   43.651  110.190  128.392   69.567   46.416   90.846   36.668   70.980   22.959 19.86648 43.26306 
1 1 1  -10   24   41 o   88.491   21.471  111.243   46.964  128.580  143.679  109.169   49.694   94.554   38.560   87.205   22.626 7.348831 44.70819 
1 1 1  -10   24   42 o  230.244   16.618  707.231   94.904  996.999  212.610  635.128  106.056  248.562   35.240  215.129   19.970 33.43280 40.50470 
1 1 1  -10   24   43 o  137.103   18.780  258.871   62.608  333.547  184.759  249.184   66.545  125.804   45.619  133.216   20.674 -7.411140 50.08531 
1 1 1  -10   24   44 f   36.023   16.827 -29.3297   37.439   0.0000   0.0000 -29.3297   37.439  ?   ?    36.023   16.827 0.000000 16.82698 
1 1 1  -10   25    1 o  225.661   11.785  648.634   66.179  481.517   92.933  820.571   94.264  190.848   19.788  252.376   15.025 -61.52803 24.84546 
1 1 1  -10   25    2 o  165.735   15.085  354.918   61.747   0.0000   0.0000  354.918   61.747  ?   ?   165.735   15.085 0.000000 15.08457 
1 1 1  -10   25    3 o   61.519   20.761   47.083   37.838   47.083   37.838   0.0000   0.0000   61.519   20.761  ?   ?  0.000000 20.76127 
1 1 1  -10   25    4 o  105.370   12.098  142.587   31.257  153.577   43.989  131.380   44.421  108.086   16.847   99.271   18.603 8.814926 25.09728 
1 1 1  -10   25    5 o  114.225   11.379  166.681   32.024  177.543   44.174  154.649   46.493  116.835   15.525  108.222   17.824 8.612289 23.63762 
1 1 1  -10   25    6 o  131.892   14.146  223.972   45.865  225.148   66.513  222.905   63.329  129.889   21.240  129.604   20.228 0.2854462 29.33128 
1 1 1  -10   25    7 o  233.979   14.777  700.812   85.895  648.375  121.811  752.672  121.139  221.562   22.320  239.895   20.416 -18.33299 30.24860 
1 1 1  -10   25    8 o  251.798   11.357  801.382   71.408  777.411   98.357  828.101  103.839  246.013   16.099  253.772   16.475 -7.758850 23.03475 
1 1 1  -10   25    9 o  348.022   13.125  1536.48  114.063  1489.61  159.270  1585.83  163.428  339.364   18.868  350.257   18.753 -10.89328 26.60244 
1 1 1  -10   25   10 o  212.943   10.494  571.824   55.801  565.641   76.218  578.967   81.921  210.344   14.601  212.490   15.546 -2.146179 21.32768 
1 1 1  -10   25   11 o  126.386   11.015  203.061   34.417  184.150   45.838  227.499   52.109  119.167   15.793  132.576   16.068 -13.40865 22.52958 
1 1 1  -10   25   12 o  219.286   10.782  606.456   59.042  614.284   80.591  597.387   86.745  219.261   14.806  215.720   16.222 3.541779 21.96237 
1 1 1  -10   25   13 o  177.995   10.680  400.809   47.250  426.037   63.907  370.391   70.174  182.660   14.120  169.440   16.807 13.21915 21.95094 
1 1 1  -10   25   14 o  232.532   13.224  687.103   76.471  775.197   89.769  454.069  146.003  246.558   14.646  180.137   33.696 66.42128 36.74108 
1 1 1  -10   25   15 o  180.553   17.068  420.200   76.041  553.331   97.797  216.664  120.923  206.608   19.174  123.429   36.604 83.17857 41.32206 
1 1 1  -10   25   16 o  154.062   13.165  302.612   50.162  363.277   78.791  261.265   65.047  167.083   19.235  141.486   18.882 25.59732 26.95379 
1 1 1  -10   25   17 o  130.003   11.404  214.802   36.649  190.029   48.181  248.818   56.457  121.052   16.357  138.713   16.630 -17.66064 23.32655 
1 1 1  -10   25   18 o  229.401   10.997  663.379   62.997  647.657   85.301  682.243   93.435  225.191   15.259  230.786   16.318 -5.595718 22.34053 
1 1 1  -10   25   19 o  141.379   11.248  253.600   39.382  239.832   51.900  272.289   60.467  136.480   15.503  145.108   17.010 -8.627533 23.01462 
1 1 1  -10   25   20 o  241.234   11.205  733.753   67.500  728.636   91.847  739.762   99.533  238.865   15.481  240.257   16.693 -1.392044 22.76716 
1 1 1  -10   25   21 o  202.141   10.776  516.234   54.202  520.977   72.581  510.253   81.496  202.128   14.475  199.402   16.515 2.725800 21.96115 
1 1 1  -10   25   22 o  142.062   11.466  256.173   40.331  243.139   52.873  274.309   62.368  137.392   15.692  145.520   17.515 -8.127777 23.51604 
1 1 1  -10   25   23 o  137.383   11.447  239.671   38.913  195.425   51.088  300.817   60.057  122.598   17.157  152.919   15.962 -30.32189 23.43436 
1 1 1  -10   25   24 o  268.388   11.401  908.631   76.409  907.152  103.981  910.367  112.657  266.526   15.692  266.482   17.018 0.4364014E-01 23.14872 
1 1 1  -10   25   25 o  194.522   11.179  478.724   54.077  503.417   71.976  446.719   81.942  198.587   14.617  185.992   17.862 12.59573 23.08053 
1 1 1  -10   25   26 o  478.667   16.091  2921.79  192.344  2968.20  269.183  2873.39  274.938  477.656   22.567  468.608   23.570 9.048370 32.63190 
1 1 1  -10   25   27 o  217.480   13.133  601.304   70.987  571.442  110.513  622.279   92.622  208.894   21.492  219.949   16.995 -11.05487 27.39971 
1 1 1  -10   25   28 o  187.046   15.298  448.693   70.828  448.693   70.828   0.0000   0.0000  187.046   15.298  ?   ?  0.000000 15.29757 
1 1 1  -10   25   29 o  158.289   11.341  318.180   44.531  322.004   58.577  312.944   68.541  158.262   15.001  155.014   18.044 3.247284 23.46525 
1 1 1  -10   25   30 o  191.870   11.032  466.768   52.634  428.725   70.102  515.923   79.686  182.487   15.531  200.090   16.084 -17.60341 22.35843 
1 1 1  -10   25   31 o   91.979   14.225  110.297   31.619   90.808   40.671  140.076   50.273   81.950   20.040  102.007   20.448 -20.05708 28.63110 
1 1 1  -10   25   32 o   96.273   13.688  120.457   31.981  125.838   40.879  111.968   51.345   97.335   17.460   90.294   22.774 7.040817 28.69699 
1 1 1  -10   25   33 o  143.269   11.799  262.501   41.839  243.369   54.962  288.866   64.519  136.389   16.471  148.213   17.787 -11.82370 24.24205 
1 1 1  -10   25   34 o  130.554   12.623  219.410   40.640  264.867   53.767  158.826   62.072  142.590   15.341  106.799   23.874 35.79111 28.37841 
1 1 1  -10   25   35 o   88.402   14.189  102.836   30.264  102.291   38.350  103.735   49.273   86.873   18.258   86.271   22.601 0.6012726 29.05420 
1 1 1  -10   25   36 o   50.952   16.435   33.287   23.796   35.917   28.874   27.720   42.014   53.587   18.136   54.540   21.308 -0.9536095 27.98072 
1 1 1  -10   25   37 o   63.102   15.956   53.935   25.159   61.755   30.763   38.142   43.718   67.209   17.978   58.624   22.024 8.584743 28.43003 
1 1 1  -10   25   38 o  118.545   12.451  182.492   36.307  170.960   47.084  199.407   57.023  112.744   17.274  120.786   19.575 -8.042122 26.10711 
1 1 1  -10   25   39 o   40.955   15.234   17.598   20.816   11.215   24.243   35.510   40.608   39.756   15.973   56.401   21.219 -16.64533 26.55886 
1 1 1  -10   25   40 o  144.545   13.135  272.516   46.895  316.167   63.612  220.553   69.405  153.751   16.844  124.485   23.180 29.26653 28.65328 
1 1 1  -10   25   41 o  127.992   18.418  223.796   57.171  230.992  147.012  222.514   62.056  112.883   40.730  126.481   20.337 -13.59789 45.52506 
1 1 1  -10   25   42 o  197.686   16.827  525.026   82.280  527.517  179.733  524.366   92.547  168.328   42.694  195.524   19.202 -27.19574 46.81347 
1 1 1  -10   25   43 o   69.976   22.854   69.969   45.935  137.413  162.110   64.081   47.899   93.151   39.676   67.769   23.350 25.38118 46.03697 
1 1 1  -10   25   44 o   56.065   22.141   33.423   45.795   0.0000   0.0000   33.423   45.795  ?   ?    56.065   22.141 0.000000 22.14083 
1 1 1  -10   26    1 o  348.508   16.335  1578.37  142.162  1086.69  246.161  1824.42  174.138  265.951   38.159  371.928   18.810 -105.9773 42.54298 
1 1 1  -10   26    2 o  149.651   18.499  296.915   67.659  296.597   85.792  297.438  110.042  146.642   24.278  142.331   31.766 4.310654 39.98100 
1 1 1  -10   26    3 o  176.565   11.094  397.106   48.665  388.038   68.229  406.498   69.433  172.708   16.002  176.844   15.892 -4.136780 22.55255 
1 1 1  -10   26    4 o   43.836   16.319   19.517   23.896  -2.7127   35.666   37.623   32.188   42.200   18.298   55.664   19.144 -13.46354 26.48199 
1 1 1  -10   26    5 o   69.743   15.750   64.884   26.781   76.032   38.242   54.154   37.518   74.935   20.045   64.562   20.616 10.37329 28.75491 
1 1 1  -10   26    6 o  214.542   10.640  582.156   57.002  602.662   79.159  560.070   82.152  216.563   14.725  208.238   15.919 8.325180 21.68469 
1 1 1  -10   26    7 o  122.531   11.546  191.815   34.911  207.354   48.303  174.822   50.513  126.294   15.651  115.001   18.195 11.29285 24.00036 
1 1 1  -10   26    8 o  104.084   12.757  139.544   32.463   78.304   43.592  215.793   48.641   76.247   21.800  129.003   15.404 -52.75562 26.69307 
1 1 1  -10   26    9 o  165.449   14.102  351.144   57.706  290.533   82.463  409.307   80.780  147.015   23.234  177.085   18.542 -30.07011 29.72589 
1 1 1  -10   26   10 o  293.634   12.025  1092.15   88.171  1158.76  121.958  1019.22  127.620  300.245   16.328  280.491   18.321 19.75333 24.54053 
1 1 1  -10   26   11 f  148.335   11.237  279.647   41.314  246.470   55.199  321.905   62.297  137.820   16.358  157.848   16.027 -20.02773 22.90044 
1 1 1  -10   26   12 o  132.486   11.429  223.471   37.441  232.411   49.805  211.854   56.774  134.182   15.128  127.028   18.436 7.154358 23.84857 
1 1 1  -10   26   13 o   40.832   16.139   12.226   24.351   10.628   31.204   14.716   38.941   44.157   17.985   49.619   20.136 -5.462296 26.99816 
1 1 1  -10   26   14 o   89.280   13.705  103.450   29.578   92.910   38.416  118.796   46.353   83.339   18.895   94.097   20.321 -10.75797 27.74808 
1 1 1  -10   26   15 f   64.351   16.798   54.954   27.283   47.188   35.137   66.747   43.297   61.253   19.987   71.409   22.057 -10.15634 29.76595 
1 1 1  -10   26   16 o  214.931   11.318  584.908   60.532  644.734   82.005  513.289   89.724  224.640   14.700  199.071   18.252 25.56862 23.43542 
1 1 1  -10   26   17 o  112.072   19.891  166.585   53.628  139.869   61.670  249.458  108.615  101.267   24.625  132.745   32.926 -31.47758 41.11541 
1 1 1  -10   26   18 o  175.886   17.148  399.549   74.359  420.467   90.984  357.470  129.042  179.146   20.720  159.218   33.516 19.92853 39.40345 
1 1 1  -10   26   19 o  215.113   13.214  588.550   70.637  635.652  113.369  558.660   90.310  220.684   20.818  208.108   17.541 12.57613 27.22277 
1 1 1  -10   26   20 o  199.170   11.079  502.009   54.883  489.885   73.191  517.584   82.957  195.627   15.099  200.569   16.715 -4.941513 22.52512 
1 1 1  -10   26   21 o  242.497   11.300  742.267   68.430  746.680   92.013  736.805  102.362  241.668   15.326  239.319   17.244 2.348419 23.07017 
1 1 1  -10   26   22 o   92.355   14.468  110.866   32.270  128.199   41.689   84.954   50.972   98.660   17.565   79.854   23.784 18.80605 29.56739 
1 1 1  -10   26   23 o   83.026   15.709   90.642   31.377  100.459   40.582   76.051   49.473   86.709   19.245   76.086   23.591 10.62362 30.44488 
1 1 1  -10   26   24 o  206.596   11.175  540.315   57.436  495.641   76.188  599.132   87.420  196.542   15.653  215.955   16.331 -19.41220 22.62120 
1 1 1  -10   26   25 o  337.939   12.677  1446.62  106.979  1392.00  146.748  1508.57  156.284  328.701   17.946  341.974   18.368 -13.27341 25.67966 
1 1 1  -10   26   26 o  203.792   14.294  530.856   72.284  447.218  121.075  577.178   90.104  181.308   27.614  211.462   17.213 -30.15369 32.53899 
1 1 1  -10   26   27 o  321.135   17.730  1330.54  141.636  1330.54  141.636   0.0000   0.0000  321.135   17.730  ?   ?  0.000000 17.73049 
1 1 1  -10   26   28 o  142.742   12.105  259.975   42.742  288.406   56.203  220.977   65.823  149.490   15.270  128.640   21.231 20.85002 26.15220 
1 1 1  -10   26   29 o  121.177   12.108  188.018   36.148  138.308   46.221  266.303   58.004  101.840   18.870  143.067   16.541 -41.22726 25.09300 
1 1 1  -10   26   30 o  130.327   12.272  217.576   39.470  226.653   51.412  204.547   61.596  131.937   15.927  123.532   20.700 8.404892 26.11757 
1 1 1  -10   26   31 o  104.079   13.355  140.347   33.910  133.666   43.524  150.666   54.092  100.087   18.079  105.262   21.309 -5.175758 27.94561 
1 1 1  -10   26   32 o   89.849   14.246  105.854   30.897  103.182   39.188  110.244   50.228   87.416   18.527   89.305   22.526 -1.889091 29.16624 
1 1 1  -10   26   33 o   93.922   14.368  115.787   32.629  104.461   41.620  133.848   52.558   87.513   19.539   98.449   21.939 -10.93533 29.37885 
1 1 1  -10   26   34 o   44.368   16.355   20.959   23.887   13.359   28.667   38.220   43.204   43.368   17.389   58.812   21.933 -15.44428 27.99004 
1 1 1  -10   26   35 o   72.538   16.120   71.070   28.443   84.228   35.465   47.353   47.616   78.435   18.421   63.149   23.119 15.28548 29.56060 
1 1 1  -10   26   36 o   97.395   13.872  124.792   32.786  142.320   41.773   96.677   52.906  102.988   16.824   82.487   24.144 20.50076 29.42731 
1 1 1  -10   26   37 o  105.356   12.843  144.963   33.091  113.973   41.446  199.454   54.958   90.982   18.861  121.140   18.775 -30.15820 26.61298 
1 1 1  -10   26   38 o  171.103   11.261  376.647   47.846  354.943   63.494  405.165   72.781  163.820   15.714  174.350   16.930 -10.52979 23.09849 
1 1 1  -10   26   39 o   83.310   14.308   92.719   28.694   74.590   35.261  128.256   49.369   73.094   19.105   95.177   21.303 -22.08319 28.61490 
1 1 1  -10   26   40 o  153.923   12.052  307.388   45.955  324.231   60.846  285.023   70.115  156.036   15.835  143.548   20.112 12.48798 25.59768 
1 1 1  -10   26   41 o  187.581   16.925  473.276   78.425  462.453  165.078  476.431   89.125  159.116   41.215  186.115   19.464 -26.99846 45.58028 
1 1 1  -10   26   42 f  140.219   18.041  269.795   61.706  323.489  155.993  259.835   67.186  127.857   42.132  135.925   20.425 -8.067963 46.82232 
1 1 1  -10   26   43 o   70.698   23.379   72.450   48.015   14.714  168.206   77.572   50.100   78.063   36.194   72.753   23.872 5.310150 43.35744 
1 1 1  -10   27    1 o   97.527   13.797  125.274   32.664  115.557   52.310  131.485   41.820   89.976   23.148   98.435   17.662 -8.458992 29.11652 
1 1 1  -10   27    2 o   79.459   16.185   85.149   31.025  145.064   46.311   36.367   41.788  103.329   18.633   57.419   21.540 45.90937 28.48086 
1 1 1  -10   27    3 o   44.161   16.940   18.333   26.193  -1.4221   42.253   30.662   33.380   45.861   19.901   52.549   19.339 -6.687748 27.74982 
1 1 1  -10   27    4 o   51.416   21.798   7.7679   48.537   17.149   56.295 -19.4078   95.813   57.083   23.790   64.050   28.765 -6.966568 37.32864 
1 1 1  -10   27    5 o   37.095   15.441   4.9469   23.671 -14.4814   36.668   18.829   30.995   39.578   17.784   46.832   18.300 -7.254322 25.51759 
1 1 1  -10   27    6 o  157.538   10.835  316.207   42.365  318.719   58.908  313.515   60.972  156.656   15.252  155.074   15.974 1.581161 22.08544 
1 1 1  -10   27    7 o   90.316   14.146  106.760   30.856  113.481   43.427   99.906   43.850   91.527   19.592   85.503   20.748 6.023949 28.53603 
1 1 1  -10   27    8 o  257.547   11.723  842.183   75.395  845.140  103.732  838.873  109.772  255.537   16.341  253.981   17.413 1.556244 23.87991 
1 1 1  -10   27    9 o  198.530   10.993  500.605   54.285  530.647   74.371  466.347   79.420  203.059   14.768  189.384   16.973 13.67535 22.49844 
1 1 1  -10   27   10 o  120.347   12.179  185.669   36.097  148.944   48.581  230.935   53.935  105.596   19.128  132.995   16.602 -27.39915 25.32759 
1 1 1  -10   27   11 o  169.784   14.337  370.523   60.216  365.410   85.225  375.620   85.091  165.941   21.039  168.442   20.663 -2.501282 29.48886 
1 1 1  -10   27   12 o  158.923   14.325  324.729   56.239  337.866   79.208  311.374   79.866  159.896   20.294  152.896   21.513 7.000549 29.57438 
1 1 1  -10   27   13 o  110.088   12.701  155.808   34.277  171.977   44.762  132.884   53.297  114.802   16.053   98.870   22.138 15.93214 27.34545 
1 1 1  -10   27   14 o   47.601   17.139   24.909   26.013   41.239   33.620   0.5509   41.060   57.977   19.570   46.335   19.857 11.64215 27.88016 
1 1 1  -10   27   15 o  137.433   11.531  240.600   39.207  256.902   51.649  218.431   60.229  141.147   14.877  128.597   19.355 12.54956 24.41231 
1 1 1  -10   27   16 o  186.551   11.176  441.422   51.825  488.801   69.000  380.101   78.499  195.416   14.238  170.618   18.732 24.79787 23.52895 
1 1 1  -10   27   17 o  100.054   13.470  129.368   32.801  105.129   42.096  166.825   52.331   88.496   19.569  112.109   19.394 -23.61291 27.55127 
1 1 1  -10   27   18 o  171.836   11.200  374.693   47.798  367.365   63.101  384.559   73.215  169.038   15.108  172.240   17.254 -3.201767 22.93375 
1 1 1  -10   27   19 o  336.455   13.448  1438.14  112.990  1512.31  155.821  1355.88  164.082  342.088   18.307  322.491   20.481 19.59647 27.47026 
1 1 1  -10   27   20 o  194.480   16.875  488.534   81.142  450.202   98.254  570.750  143.893  184.636   21.725  204.125   29.048 -19.48877 36.27399 
1 1 1  -10   27   21 o  123.689   19.307  202.060   57.686  180.400   65.683  275.108  120.625  115.275   23.612  137.965   34.967 -22.69003 42.19246 
1 1 1  -10   27   22 o  104.585   15.986  142.926   40.425  148.742   57.649  137.300   56.703  104.711   22.701  100.430   23.092 4.281532 32.38211 
1 1 1  -10   27   23 o  204.375   11.435  529.868   58.128  518.632   77.395  544.407   88.040  200.854   15.552  205.104   17.352 -4.249908 23.30129 
1 1 1  -10   27   24 o  147.799   11.787  278.266   43.142  284.600   56.271  269.233   67.198  148.463   15.402  143.027   19.308 5.436249 24.69860 
1 1 1  -10   27   25 o  171.039   11.538  371.944   48.992  353.639   64.360  397.164   75.545  165.472   15.766  174.776   17.546 -9.303986 23.58873 
1 1 1  -10   27   26 o   76.208   17.217   77.639   31.991   79.716   40.364   74.131   52.464   76.813   20.613   75.238   24.417 1.574654 31.95424 
1 1 1  -10   27   27 o  134.213   12.225  230.514   40.523  259.794   52.725  188.253   63.343  141.673   15.137  117.827   22.345 23.84527 26.98998 
1 1 1  -10   27   28 o   89.864   14.736  105.922   31.922   70.095   40.351  165.848   52.187   72.189   21.073  111.337   19.480 -39.14809 28.69740 
1 1 1  -10   27   29 o  195.362   11.521  486.145   55.956  486.251   74.102  486.003   85.354  193.882   15.433  192.671   17.947 1.210754 23.66988 
1 1 1  -10   27   30 o  102.283   13.754  136.143   34.239  150.199   43.876  114.255   54.752  106.432   17.087   90.596   23.868 15.83558 29.35361 
1 1 1  -10   27   31 o   86.604   15.115   99.248   31.500   90.783   40.036  113.007   51.038   81.452   19.862   90.173   22.685 -8.721008 30.15151 
1 1 1  -10   27   32 f   72.778   16.308   71.351   28.904   54.663   36.037  101.448   48.395   64.154   20.174   85.330   22.420 -21.17596 30.16048 
1 1 1  -10   27   33 o  107.652   13.233  150.920   34.824  141.436   44.346  166.175   56.245  102.437   17.992  109.781   21.285 -7.343414 27.87076 
1 1 1  -10   27   34 o  179.875   11.908  415.876   53.184  419.786   70.425  410.686   81.134  178.732   15.946  175.070   18.856 3.661926 24.69461 
1 1 1  -10   27   35 o   64.175   16.864   56.156   27.379   42.240   32.965   87.101   49.158   57.374   19.378   78.520   23.351 -21.14581 30.34419 
1 1 1  -10   27   36 o  102.979   13.226  139.081   33.225  135.354   41.940  145.361   54.447   99.877   17.451  101.362   22.131 -1.484146 28.18322 
1 1 1  -10   27   37 o   89.244   14.619  106.287   31.451  119.770   39.091   81.544   52.957   93.737   17.339   75.877   24.522 17.86008 30.03246 
1 1 1  -10   27   38 o  110.141   13.146  159.249   35.443  169.479   44.690  141.905   58.189  112.204   16.437   98.784   23.858 13.41978 28.97182 
1 1 1  -10   27   39 o  123.610   12.960  200.179   39.411  205.620   50.597  191.783   62.844  123.371   16.865  115.798   22.544 7.573654 28.15392 
1 1 1  -10   27   40 o   87.644   14.709  103.346   31.053   97.703   37.976  114.733   53.944   83.493   18.681   88.158   23.902 -4.664398 30.33653 
1 1 1  -10   27   41 o   60.176   16.483   50.097   25.499   55.854   30.163   35.678   47.737   63.221   18.152   57.716   22.665 5.504639 29.03782 
1 1 1  -10   27   42 o  110.140   21.519  175.440   57.064   92.662  147.852  189.929   61.857   84.757   36.997  113.985   22.530 -29.22809 43.31753 
1 1 1  -10   27   43 o   90.455   23.446  123.726   53.398   31.358  162.814  134.859   56.524   77.787   35.904   94.162   23.975 -16.37495 43.17315 
1 1 1  -10   28    1 o   81.096   23.390   96.319   49.981   96.319   49.981   0.0000   0.0000   81.096   23.390  ?   ?  0.000000 23.38984 
1 1 1  -10   28    2 o   44.645   16.333   22.414   23.757   20.282   42.856   23.360   28.544   51.683   21.066   47.026   17.768 4.657604 27.55884 
1 1 1  -10   28    3 o  158.969   11.030  325.009   43.516  322.573   63.350  327.184   59.880  155.596   16.558  157.351   15.438 -1.755081 22.63867 
1 1 1  -10   28    4 o  152.297   11.421  298.449   43.121  317.398   62.257  280.976   59.783  154.752   16.358  145.296   16.786 9.456253 23.43812 
1 1 1  -10   28    5 o  139.668   11.733  251.203   40.544  265.277   57.260  237.052   57.415  141.521   16.513  133.124   17.711 8.396683 24.21453 
1 1 1  -10   28    6 o  160.816   18.027  343.953   71.149  359.841   89.818  317.187  116.576  161.649   22.890  144.604   33.010 17.04541 40.17007 
1 1 1  -10   28    7 o   84.077   15.132   93.929   30.603  112.863   44.401   76.796   42.237   90.642   20.139   74.705   21.489 15.93768 29.45090 
1 1 1  -10   28    8 o   68.260   17.039   62.971   28.954   92.508   41.460   34.852   40.452   82.045   20.338   56.796   21.215 25.24904 29.38869 
1 1 1  -10   28    9 o   33.515   14.925  -8.4910   25.218 -30.3807   36.194   12.162   35.156   35.766   16.653   46.438   19.022 -10.67200 25.28094 
1 1 1  -10   28   10 o  127.614   11.909  208.935   37.512  226.335   51.586  189.409   54.646  131.494   16.043  119.016   19.028 12.47756 24.88812 
1 1 1  -10   28   11 o   59.604   17.886   46.872   28.746   24.513   38.167   76.178   43.697   52.301   20.343   74.903   21.947 -22.60106 29.92538 
1 1 1  -10   28   12 o  271.871   11.882  939.332   80.669  1027.48  110.950  840.473  117.497  282.044   15.817  253.314   18.707 28.72926 24.49717 
1 1 1  -10   28   13 o  182.017   14.549  426.867   65.575  399.499   93.022  453.903   92.456  172.647   22.082  185.090   20.339 -12.44336 30.02139 
1 1 1  -10   28   14 o  169.297   14.820  369.819   62.024  424.182   88.602  317.582   86.853  179.053   20.167  153.115   23.463 25.93800 30.93895 
1 1 1  -10   28   15 o  141.229   11.629  254.606   40.647  323.031   53.533  161.451   62.462  158.578   13.652  108.335   23.744 50.24293 27.38867 
1 1 1  -10   28   16 o  128.285   11.929  210.549   37.776  214.950   49.326  204.307   58.748  128.528   15.694  123.879   19.647 4.649139 25.14566 
1 1 1  -10   28   17 o   71.207   16.932   67.876   29.668   73.974   37.999   58.353   47.482   74.035   20.056   68.217   23.256 5.817909 30.70974 
1 1 1  -10   28   18 o  233.880   11.652  693.430   68.052  774.221   91.636  594.082  101.617  245.485   15.021  212.930   19.321 32.55489 24.47284 
1 1 1  -10   28   19 o  227.547   11.667  658.009   66.072  667.747   88.241  645.581   99.683  227.669   15.615  222.682   18.082 4.987106 23.89137 
1 1 1  -10   28   20 o   75.084   16.618   75.247   30.334   62.007   38.690   96.369   48.867   68.432   20.799   83.995   22.740 -15.56312 30.81743 
1 1 1  -10   28   21 o  160.280   11.525  327.178   45.822  354.781   59.913  288.279   71.125  165.980   14.604  147.576   19.799 18.40359 24.60231 
1 1 1  -10   28   22 o  114.327   13.062  168.409   36.622  152.923   46.220  194.532   60.030  107.448   17.852  120.436   20.706 -12.98731 27.33975 
1 1 1  -10   28   23 o   44.092   18.288   8.0080   33.041  -2.3026   34.415  129.397  118.087   41.639   18.015   99.121   36.390 -57.48179 40.60515 
1 1 1  -10   28   24 o   89.855   22.749  111.007   51.095  118.282   55.485   70.412  131.065   92.505   23.862   89.105   36.639 3.399582 43.72478 
1 1 1  -10   28   25 o  135.584   19.487  244.448   64.081  276.783   71.062  103.702  148.258  144.055   20.318   97.490   39.384 46.56561 44.31663 
1 1 1  -10   28   26 o  156.370   15.027  316.789   57.957  360.082   78.129  263.813   86.425  164.936   19.336  137.674   26.093 27.26190 32.47672 
1 1 1  -10   28   27 o  192.350   11.676  472.056   55.816  426.376   73.101  535.921   86.436  180.908   16.358  202.514   17.256 -21.60611 23.77777 
1 1 1  -10   28   28 o   85.294   15.650   96.627   32.105   78.581   39.999  129.303   53.824   75.798   20.595   96.557   22.704 -20.75898 30.65375 
1 1 1  -10   28   29 o  234.101   11.493  697.708   67.188  642.855   89.329  769.163  101.955  222.081   16.220  242.562   16.938 -20.48108 23.45171 
1 1 1  -10   28   30 o  124.135   12.582  199.046   38.464  179.599   49.225  229.537   61.638  116.054   17.532  130.566   19.502 -14.51207 26.22426 
1 1 1  -10   28   31 o   92.481   14.335  112.756   32.035  105.963   40.244  124.505   52.926   88.051   18.870   94.142   22.763 -6.091042 29.56765 
1 1 1  -10   28   32 o   80.053   15.894   86.211   30.653   80.390   38.272   96.625   51.192   76.193   19.898   82.649   23.622 -6.455620 30.88601 
1 1 1  -10   28   33 o   75.685   16.065   77.555   29.424   65.503   36.213  100.972   50.478   68.923   19.918   84.238   23.240 -15.31470 30.60767 
1 1 1  -10   28   34 o  133.041   12.493  229.746   41.019  225.126   53.017  236.636   64.745  129.772   16.751  131.093   20.445 -1.320389 26.43071 
1 1 1  -10   28   35 o  121.444   12.965  192.631   38.711  206.352   49.504  171.036   62.106  124.190   16.361  109.186   23.476 15.00472 28.61457 
1 1 1  -10   28   36 o   98.384   13.839  128.117   33.060  134.583   41.296  116.575   55.170   99.412   17.261   89.354   24.150 10.05798 29.68433 
1 1 1  -10   28   37 o  106.283   13.677  149.215   35.457  167.981   44.619  117.058   58.408  111.547   16.517   88.924   25.168 22.62286 30.10436 
1 1 1  -10   28   38 o  106.765   14.017  151.227   36.468  168.404   46.009  122.194   59.814  111.248   17.110   90.438   25.425 20.80968 30.64589 
1 1 1  -10   28   39 o  146.270   12.478  279.504   45.142  274.141   58.346  287.501   71.252  142.416   16.724  143.277   20.499 -0.8615417 26.45551 
1 1 1  -10   28   40 o   97.264   14.082  126.577   33.208  115.118   40.876  148.820   56.950   90.487   18.708  100.499   23.167 -10.01231 29.77747 
1 1 1  -10   28   41 o   52.475   16.605   37.211   24.382   34.823   27.980   44.744   49.702   51.816   17.847   60.789   23.331 -8.972565 29.37400 
1 1 1  -10   28   42 o  108.410   13.911  157.628   36.791  157.067   45.610  158.674   62.249  105.958   17.874  101.738   24.741 4.220741 30.52164 
1 1 1  -10   29    1 o  102.346   14.116  141.240   35.118  151.520   57.228  135.031   44.476  100.168   23.315   97.271   18.992 2.897049 30.07150 
1 1 1  -10   29    2 o  150.895   14.427  303.922   53.699  436.990   96.597  244.408   64.600  173.389   22.867  131.118   20.392 42.27116 30.63927 
1 1 1  -10   29    3 o   61.559   17.124   52.703   27.282   50.637   47.037   53.750   33.491   62.599   22.969   62.145   19.433 0.4540749 30.08723 
1 1 1  -10   29    4 o   76.645   15.535   80.132   28.715  123.070   47.254   54.994   36.156   92.847   20.886   63.163   20.246 29.68391 29.08877 
1 1 1  -10   29    5 f  108.736   13.088  155.362   34.825  161.813   52.012  150.119   46.885  107.623   20.092  104.301   18.687 3.321770 27.43920 
1 1 1  -10   29    6 f  217.411   10.982  606.855   59.429  755.560   84.155  458.922   83.936  240.580   14.069  184.364   18.480 56.21550 23.22615 
1 1 1  -10   29    7 o   90.625   15.017  109.605   32.795  100.334   47.988  117.730   44.923   83.975   22.451   91.914   20.129 -7.938499 30.15352 
1 1 1  -10   29    8 o  115.617   22.497  187.472   62.616  183.998   74.722  195.665  114.744  111.995   27.027  110.472   36.122 1.522781 45.11401 
1 1 1  -10   29    9 o   67.487   17.101   62.044   28.855  102.453   42.801   28.375   39.068   85.927   20.274   53.545   20.650 32.38169 28.93909 
1 1 1  -10   29   10 o   85.127   15.401   96.659   31.535  125.908   44.632   67.502   44.562   95.976   19.291   70.555   22.462 25.42056 29.60925 
1 1 1  -10   29   11 o  115.887   12.731  173.958   36.234  178.309   49.049  168.732   53.761  115.553   17.550  111.274   20.087 4.279633 26.67321 
1 1 1  -10   29   12 o   73.938   17.030   73.955   30.795   62.688   41.599   87.616   45.806   68.422   21.694   79.494   22.215 -11.07196 31.05043 
1 1 1  -10   29   13 o  164.524   11.292  345.942   46.114  361.962   61.719  325.697   69.381  166.885   14.969  156.855   18.042 10.02965 23.44295 
1 1 1  -10   29   14 o  133.474   11.877  228.672   39.174  238.390   51.580  215.425   60.219  135.016   15.584  126.596   19.688 8.420250 25.11002 
1 1 1  -10   29   15 o   93.741   15.220  115.913   34.407  146.023   43.242   63.952   56.806  104.800   17.114   71.513   25.371 33.28741 30.60345 
1 1 1  -10   29   16 o   74.987   20.139   76.726   38.510   61.812   56.276   89.860   52.811   70.738   25.236   80.767   24.244 -10.02993 34.99480 
1 1 1  -10   29   17 o   62.499   17.906   52.240   29.380   25.439   37.784   93.229   46.726   52.414   20.281   82.231   22.225 -29.81773 30.08822 
1 1 1  -10   29   18 o  117.348   12.649  177.566   36.480  209.481   47.090  129.662   57.692  126.739   15.181   96.391   24.047 30.34821 28.43793 
1 1 1  -10   29   19 o  146.569   11.660  274.799   42.325  267.990   54.757  284.906   66.710  143.417   15.538  146.636   18.639 -3.218781 24.26611 
1 1 1  -10   29   20 o   37.894   16.119   1.5987   26.690   8.2789   33.685  -9.6673   43.746   44.396   18.444   44.847   19.830 -0.4508667 27.08172 
1 1 1  -10   29   21 o   52.957   17.929   34.539   28.218   20.634   35.717   57.631   46.029   49.754   19.584   67.254   22.897 -17.49978 30.13004 
1 1 1  -10   29   22 o  159.017   11.481  323.074   45.285  310.194   58.860  341.756   70.890  154.377   15.477  161.027   17.934 -6.650055 23.68878 
1 1 1  -10   29   23 f   65.174   17.971   57.224   30.193   42.821   37.940   82.097   49.859   59.350   20.763   77.476   23.625 -18.12547 31.45203 
1 1 1  -10   29   24 f  158.750   13.888  325.693   54.503  401.276   82.752  267.786   72.433  173.696   19.410  140.641   21.290 33.05540 28.81016 
1 1 1  -10   29   25 o  250.074   16.013  813.570   99.475  813.570   99.475   0.0000   0.0000  250.074   16.013  ?   ?  0.000000 16.01339 
1 1 1  -10   29   26 o  130.714   15.032  223.326   48.173  203.785   50.937  388.869  148.257  124.077   16.878  157.208   38.152 -33.13100 41.71819 
1 1 1  -10   29   27 o  130.440   18.283  227.373   57.916  194.012   62.467  431.655  154.577  118.682   21.883  165.305   38.211 -46.62249 44.03383 
1 1 1  -10   29   28 o  155.143   17.964  320.206   68.310  299.029   74.572  430.648  170.297  148.424   20.682  160.503   42.002 -12.07886 46.81761 
1 1 1  -10   29   29 o  140.626   18.049  264.473   61.919  254.021   67.431  320.673  156.364  136.569   20.397  137.038   41.849 -0.4692383 46.55530 
1 1 1  -10   29   30 o  155.612   13.572  314.751   52.213  303.258   73.395  326.527   74.294  149.271   20.209  155.339   19.588 -6.068710 28.14442 
1 1 1  -10   29   31 o  117.664   14.021  181.705   40.387  147.393   54.526  223.409   60.114  102.315   21.995  128.016   19.414 -25.70036 29.33738 
1 1 1  -10   29   32 o   54.098   17.927   37.856   28.226   18.463   35.099   73.359   47.490   48.060   19.251   72.551   23.198 -24.49136 30.14574 
1 1 1  -10   29   33 o   77.878   16.066   82.483   30.207   47.414   37.310  149.205   51.462   60.281   20.615  103.197   20.690 -42.91579 29.20680 
1 1 1  -10   29   34 o  179.553   11.892  417.024   53.018  375.337   69.245  476.089   82.423  167.456   16.785  188.022   17.765 -20.56656 24.44038 
1 1 1  -10   29   35 f   86.124   15.313  100.142   31.727  107.091   39.089   86.724   54.314   87.802   18.416   77.422   24.814 10.38031 30.90158 
1 1 1  -10   29   36 o  171.210   12.184  380.898   51.750  392.067   67.459  364.926   80.670  171.378   15.946  162.087   20.381 9.291443 25.87767 
1 1 1  -10   29   37 o  136.279   12.601  242.979   42.398  227.592   54.073  267.537   68.312  129.411   17.155  138.277   20.396 -8.865738 26.65118 
1 1 1  -10   29   38 o  106.604   13.958  151.314   36.266  141.789   45.020  168.916   61.204  100.844   18.561  107.157   23.518 -6.312561 29.95999 
1 1 1  -10   29   39 o   72.827   16.755   73.889   29.837   87.334   35.752   43.041   54.155   78.550   18.527   61.443   24.137 17.10643 30.42769 
1 1 1  -10   29   40 o  107.638   14.451  155.819   37.862  145.177   47.451  174.468   62.816  101.004   19.519  107.826   23.952 -6.821426 30.89799 
1 1 1  -10   29   41 o   34.965   14.673   4.8352   21.635   1.9304   23.940   17.779   50.536   35.370   15.161   52.695   22.286 -17.32458 26.95367 
1 1 1  -10   30    1 o   56.355   16.899   45.425   25.668   91.718   52.552   30.921   29.415   75.544   24.429   49.317   18.154 26.22734 30.43595 
1 1 1  -10   30    2 o  120.035   12.596  192.399   37.193  258.613   60.056  151.203   47.370  134.841   18.309  101.971   19.310 32.87062 26.60985 
1 1 1  -10   30    3 o  135.177   11.983  241.148   40.032  279.764   62.256  213.926   52.271  141.103   18.085  123.703   17.402 17.39987 25.09760 
1 1 1  -10   30    4 o   84.311   17.886  100.715   36.490  148.905   76.476   86.510   41.521   94.694   29.326   76.555   21.060 18.13863 36.10419 
1 1 1  -10   30    5 o   63.257   17.136   56.179   27.739   49.565   47.936   59.509   34.012   61.959   23.104   64.699   19.465 -2.739532 30.21020 
1 1 1  -10   30    6 o   67.498   16.954   63.615   28.539   94.812   45.786   43.793   36.496   80.423   22.111   57.848   20.356 22.57486 30.05449 
1 1 1  -10   30    7 o  123.083   12.292  198.203   37.276  228.489   55.300  172.983   50.464  129.341   17.577  111.629   18.769 17.71196 25.71431 
1 1 1  -10   30    8 o   44.605   16.872   20.778   25.757   21.942   41.395   20.043   32.902   51.498   20.809   47.385   18.750 4.113419 28.00987 
1 1 1  -10   30    9 o  200.330   11.100  516.554   55.311  572.994   76.963  456.265   79.544  208.592   14.873  184.198   17.503 24.39461 22.96875 
1 1 1  -10   30   10 o   89.202   25.449  116.932   59.473  123.350   67.895   95.768  123.283   90.855   27.539   86.942   35.617 3.913261 45.02202 
1 1 1  -10   30   11 o   39.570   16.442   7.0339   26.778 -20.5429   38.650   32.489   37.134   38.965   17.803   54.141   20.306 -15.17627 27.00484 
1 1 1  -10   30   12 o   59.759   17.898   48.239   28.804   26.040   39.689   72.944   41.869   52.728   20.679   72.349   21.558 -19.62018 29.87252 
1 1 1  -10   30   13 o  112.942   12.886  166.164   35.693  198.956   48.542  127.568   52.664  122.291   16.302   94.930   22.550 27.36030 27.82518 
1 1 1  -10   30   14 o   72.052   17.247   70.871   30.619   67.664   40.390   75.204   46.951   70.138   21.236   73.705   23.003 -3.566795 31.30665 
1 1 1  -10   30   15 o   71.869   17.259   70.426   30.585   75.426   39.999   63.386   47.459   73.779   20.809   69.054   23.252 4.724640 31.20363 
1 1 1  -10   30   16 o   80.233   16.081   86.628   31.097   51.294   40.058  140.220   49.333   63.004   21.361  100.920   20.279 -37.91603 29.45397 
1 1 1  -10   30   17 o  167.439   11.688  359.834   48.563  418.422   63.512  277.366   75.352  179.447   14.292  142.066   21.947 37.38132 26.19048 
1 1 1  -10   30   18 o  121.294   15.944  194.382   47.124  189.232   67.754  199.208   65.586  115.786   24.212  119.622   22.788 -3.835991 33.24886 
1 1 1  -10   30   19 o   86.124   19.093  101.654   39.986  121.127   57.465   83.375   55.674   92.264   24.521   77.742   25.145 14.52178 35.12218 
1 1 1  -10   30   20 o   63.102   17.805   53.883   29.278   70.674   37.239   26.702   47.380   71.717   20.026   56.175   22.414 15.54268 30.05690 
1 1 1  -10   30   21 o  123.733   12.384  197.877   37.749  189.967   48.149  210.496   60.814  119.646   16.559  124.328   20.288 -4.681412 26.18752 
1 1 1  -10   30   22 o   62.089   17.996   52.031   29.523   45.450   37.477   62.793   47.926   60.022   20.656   69.028   23.365 -9.005768 31.18665 
1 1 1  -10   30   23 o  178.217   14.472  413.266   63.850  363.559  101.770  445.533   81.996  159.916   26.406  183.009   18.183 -23.09242 32.06089 
1 1 1  -10   30   24 o  217.573   13.983  613.622   75.571  610.502   83.151  628.429  181.152  216.110   15.511  199.375   37.768 16.73553 40.82873 
1 1 1  -10   30   25 o   93.538   14.800  115.968   33.420   99.255   42.040  144.667   55.089   84.554   20.189  101.502   22.340 -16.94838 30.11062 
1 1 1  -10   30   26 o  133.199   12.364  229.582   40.658  254.262   51.855  190.199   65.505  139.041   15.182  116.049   23.412 22.99188 27.90308 
1 1 1  -10   30   27 o  138.372   11.830  247.124   40.486  223.638   51.272  286.020   65.982  129.766   16.173  145.675   18.560 -15.90936 24.61769 
1 1 1  -10   30   28 o  280.744   12.267  1013.69   86.003  965.891  114.018  1076.77  130.995  270.010   16.997  283.542   18.604 -13.53271 25.19902 
1 1 1  -10   30   29 o  127.729   12.755  212.455   40.140  200.463   49.820  234.645   67.768  122.255   16.760  129.620   21.704 -7.365318 27.42163 
1 1 1  -10   30   30 o   60.595   19.854   49.056   34.656   49.350   35.611   43.791  150.664   60.867   20.134   82.770   36.690 -21.90283 41.85104 
1 1 1  -10   30   31 o   43.269   18.067   8.7075   32.554   6.8205   33.265   51.418  158.260   43.024   18.132   84.293   37.472 -41.26911 41.62879 
1 1 1  -10   30   32 o   44.600   18.206   13.426   32.066   8.1420   32.745  136.978  158.342   43.114   18.070   95.435   39.847 -52.32044 43.75293 
1 1 1  -10   30   33 o   57.053   20.129   41.477   35.709   42.983   36.601   11.687  162.751   57.894   20.384   79.430   36.381 -21.53639 41.70219 
1 1 1  -10   30   34 o  134.212   18.584  247.678   60.613  250.613   64.367  224.697  180.109  134.216   19.799  107.756   43.452 26.45993 47.75057 
1 1 1  -10   30   35 o   76.707   20.427   84.246   39.825   76.089   40.818  245.838  181.675   72.835   21.175  110.239   43.920 -37.40384 48.75836 
1 1 1  -10   30   36 o  138.190   14.274  253.620   48.546  267.004   64.760  236.449   73.349  138.619   19.226  126.853   24.035 11.76682 30.77832 
1 1 1  -10   30   37 o  104.891   15.454  148.961   39.267  164.217   50.613  125.896   62.234  107.904   19.501   90.440   26.104 17.46400 32.58421 
1 1 1  -10   30   38 o   83.638   16.785   97.218   33.839   97.110   41.001   97.450   59.925   81.960   20.170   79.870   26.104 2.089745 32.98820 
1 1 1  -10   30   39 o  100.688   15.415  138.269   37.525  140.498   46.789  134.250   62.822   99.076   19.606   92.537   26.071 6.539330 32.62033 
1 1 1  -10   30   40 o   96.037   15.671  126.860   36.287  124.402   44.285  131.882   63.303   92.714   19.733   90.991   26.346 1.723457 32.91693 
1 1 1  -10   30   41 o   57.667   17.586   46.969   27.626   43.154   31.316   60.354   58.659   55.947   18.888   66.102   25.352 -10.15554 31.61413 
1 1 1  -10   31    1 o   62.376   24.428   59.218   55.325  112.123   66.213 -63.1426  100.698   78.368   27.428   52.200   25.254 26.16805 37.28362 
1 1 1  -10   31    2 o   39.751   15.565   16.194   22.459  -6.1305   51.844   21.352   24.918   45.926   20.841   43.150   16.529 2.775513 26.60052 
1 1 1  -10   31    3 o   27.644   12.682 -11.2519   19.883   32.100   47.788 -20.3273   21.865   54.198   22.186   26.813   12.630 27.38480 25.52939 
1 1 1  -10   31    4 o   60.706   17.090   53.208   27.006  117.063   50.704   27.919   31.909   86.208   23.090   48.732   18.696 37.47575 29.71004 
1 1 1  -10   31    5 o   58.240   17.088   48.367   26.474   94.634   47.999   28.138   31.738   78.023   23.042   49.014   18.684 29.00935 29.66533 
1 1 1  -10   31    6 o   79.694   18.070   91.250   35.132  162.441   75.036   71.262   39.760   98.220   28.755   69.267   21.092 28.95210 35.66069 
1 1 1  -10   31    7 o   94.364   14.583  121.132   33.257  159.355   52.684   95.812   42.880  104.392   20.938   80.389   21.095 24.00314 29.72233 
1 1 1  -10   31    8 o   63.238   17.333   56.419   28.185   58.127   45.406   55.349   35.949   64.522   22.705   62.574   20.202 1.948441 30.39159 
1 1 1  -10   31    9 o   46.904   17.233   25.719   26.488   22.692   42.753   27.605   33.745   51.673   21.049   50.221   19.236 1.452015 28.51509 
1 1 1  -10   31   10 o   35.291   15.331  -1.0698   25.129   65.417   41.202 -40.4477   31.709   67.782   21.601   30.356   14.554 37.42675 26.04648 
1 1 1  -10   31   11 o   36.313   15.538   1.8157   25.069   15.035   39.763  -6.9046   32.295   48.428   20.073   38.150   16.945 10.27747 26.26876 
1 1 1  -10   31   12 o   80.008   25.273   94.527   56.498  121.512   64.948   10.590  114.547   89.373   26.900   70.265   31.512 19.10796 41.43164 
1 1 1  -10   31   13 o   43.584   18.066   10.437   32.214   14.963   54.305   7.9804   40.014   54.425   23.064   46.630   19.782 7.795174 30.38561 
1 1 1  -10   31   14 o   55.896   18.003   41.610   28.563   45.116   39.375   37.715   41.498   59.522   21.122   57.145   21.459 2.377201 30.11067 
1 1 1  -10   31   15 o  109.203   13.481  156.980   35.983  161.057   47.610  151.550   54.950  108.449   18.227  103.163   22.001 5.284958 28.57048 
1 1 1  -10   31   16 o  132.612   12.282  228.540   40.211  240.220   52.950  212.627   61.806  134.150   16.130  123.576   20.765 10.57355 26.29326 
1 1 1  -10   31   17 o   89.946   15.262  108.521   33.054  100.645   42.435  120.673   52.710   84.577   20.341   91.556   23.065 -6.978554 30.75329 
1 1 1  -10   31   18 o  108.809   13.399  155.432   35.638  163.234   46.028  143.754   56.314  109.818   17.361  100.180   22.997 9.637962 28.81436 
1 1 1  -10   31   19 o   91.304   15.236  111.606   33.515  126.105   42.628   88.133   54.237   95.799   18.489   78.548   24.757 17.25082 30.89886 
1 1 1  -10   31   20 o   40.741   16.870   8.2259   28.045   3.5491   35.164   16.400   46.490   43.150   18.431   52.225   21.680 -9.074421 28.45584 
1 1 1  -10   31   21 o  166.438   15.068  364.701   61.948  365.870   88.482  363.577   86.758  161.821   22.505  161.623   22.073 0.1981049 31.52324 
1 1 1  -10   31   22 o   40.836   17.625   0.3257   32.783 -35.8571   49.272   29.066   43.913   41.799   19.451   55.144   21.712 -13.34525 29.15006 
1 1 1  -10   31   23 o   74.956   17.257   77.215   31.633   85.345   39.350   62.363   53.183   77.975   20.086   68.877   24.537 9.098755 31.70930 
1 1 1  -10   31   24 o   90.491   15.232  109.794   33.198   92.835   41.444  140.163   55.458   81.157   20.456   98.854   22.913 -17.69748 30.71579 
1 1 1  -10   31   25 o  147.908   11.785  283.064   43.166  270.478   55.108  303.047   69.437  142.645   15.732  149.037   19.096 -6.392334 24.74238 
1 1 1  -10   31   26 o  106.210   13.899  149.080   35.979  148.128   45.345  150.697   59.112  103.959   18.126  101.937   23.675 2.021065 29.81716 
1 1 1  -10   31   27 o   53.318   17.944   36.717   28.264   8.1078   34.694   93.165   48.733   44.147   18.557   80.276   23.080 -36.12920 29.61447 
1 1 1  -10   31   28 o  181.699   11.645  427.036   52.562  412.194   67.297  450.252   84.169  176.213   15.449  181.688   18.824 -5.474808 24.35248 
1 1 1  -10   31   29 o   34.011   15.069  -5.9668   25.383  -7.4199   30.563  -2.7362   45.570   37.033   16.465   46.389   20.387 -9.355515 26.20520 
1 1 1  -10   31   30 o   67.233   17.547   62.982   29.774   74.324   36.740   41.281   50.819   72.402   19.766   60.578   23.498 11.82434 30.70624 
1 1 1  -10   31   31 o  132.653   12.404  230.168   40.612  210.658   51.110  263.586   66.890  124.519   16.871  137.317   20.102 -12.79804 26.24368 
1 1 1  -10   31   32 o   60.478   17.909   50.709   28.963   52.511   34.771   46.626   52.340   61.691   19.863   62.410   23.945 -0.7190285 31.11105 
1 1 1  -10   31   33 o   38.462   15.977   7.3819   25.272   4.6650   29.111   15.694   50.918   39.721   16.863   52.926   22.376 -13.20476 28.01860 
1 1 1  -10   31   34 o   78.350   19.265   87.517   37.429   75.924   38.197  367.175  187.611   72.672   20.278  128.114   46.037 -55.44146 50.30540 
1 1 1  -10   31   35 o   35.668   15.688  -3.6359   27.032  -1.0970   27.332 -117.1929  182.793   36.662   15.958   69.847   33.848 -33.18529 37.42118 
1 1 1  -10   31   36 o   75.356   20.004   82.152   38.271   81.622   39.030   95.396  195.009   74.994   20.331   87.804   40.067 -12.81000 44.93003 
1 1 1  -10   31   37 o  236.293   16.381  758.133   96.065  797.111  104.797  553.051  240.384  240.912   17.540  140.639   51.876 100.2728 54.76143 
1 1 1  -10   31   38 o   78.477   20.086   90.098   39.528   83.599   40.300  255.033  203.031   75.299   20.761  102.882   44.125 -27.58307 48.76561 
1 1 1  -10   31   39 o   33.531   14.796  -3.6868   24.231  -9.7319   24.401  424.780  205.431   31.801   14.377  124.623   47.527 -92.82213 49.65393 
1 1 1  -10   31   40 o   54.420   18.773   40.379   30.966   36.887   31.307  198.174  210.453   52.845   18.826   92.539   41.993 -39.69328 46.01980 
1 1 1  -10   32    1 o   53.614   23.038   32.409   55.531   63.388   66.092 -41.9715  102.409   62.215   25.840   52.619   25.459 9.596436 36.27546 
1 1 1  -10   32    2 o   68.677   25.528   83.511   58.431   61.530   68.996  139.260  109.878   62.759   26.262   77.432   32.811 -14.67363 42.02658 
1 1 1  -10   32    3 f   50.087   22.121   13.733   54.285   50.263   63.545 -84.9285  104.431   60.291   25.214   50.717   24.800 9.573372 35.36623 
1 1 1  -10   32    4 o   61.644   17.349   56.512   27.835   31.430   54.196   65.498   32.441   54.628   23.090   65.584   18.823 -10.95566 29.78993 
1 1 1  -10   32    5 o   81.057   15.894   94.016   31.022   95.826   52.865   93.066   38.312   75.787   24.501   78.110   19.657 -2.323746 31.41208 
1 1 1  -10   32    6 o   48.808   16.687   32.463   24.446   89.530   46.593   10.785   28.717   74.925   22.836   40.637   16.968 34.28863 28.45025 
1 1 1  -10   32    7 o   70.016   16.499   70.426   28.375  154.108   50.987   32.881   34.152  101.094   20.888   51.289   19.422 49.80486 28.52181 
1 1 1  -10   32    8 o   48.193   18.093   28.031   29.497  -8.9192   72.939   35.256   32.252   53.446   24.433   52.077   19.033 1.368980 30.97191 
1 1 1  -10   32    9 o   38.306   15.796   9.4421   24.446   10.142   45.104   9.1510   29.089   48.092   20.715   40.671   17.038 7.420387 26.82184 
1 1 1  -10   32   10 o  110.075   13.039  162.113   35.144  241.880   53.151  100.147   46.846  132.318   16.440   81.144   22.389 51.17479 27.77675 
1 1 1  -10   32   11 o   43.212   16.886   18.346   26.390   17.275   42.793   19.004   33.524   49.573   20.708   46.496   18.748 3.077091 27.93378 
1 1 1  -10   32   12 o   54.707   17.968   40.791   28.380   68.845   42.684   18.565   37.994   68.626   21.998   48.277   19.775 20.34897 29.57969 
1 1 1  -10   32   13 o  113.123   13.124  170.022   36.386  222.963   51.533  117.388   51.383  127.607   16.562   88.433   23.037 39.17474 28.37311 
1 1 1  -10   32   14 o   40.715   18.961 -31.4266   46.963 -21.4108   51.326 -82.9366  116.396   44.628   20.437   58.729   28.085 -14.10055 34.73393 
1 1 1  -10   32   15 o   42.698   19.526 -20.3310   46.630 -17.8401   50.348 -35.3552  123.651   44.959   20.455   65.481   30.585 -20.52192 36.79452 
1 1 1  -10   32   16 o   72.892   17.162   74.242   30.722   69.369   41.053   80.444   46.316   69.524   21.479   74.197   22.796 -4.672836 31.32108 
1 1 1  -10   32   17 o   39.231   16.452   6.4467   27.165   11.986   36.309  -0.5958   40.940   45.860   19.109   44.466   19.438 1.394348 27.25755 
1 1 1  -10   32   18 o  194.956   11.706  493.320   56.726  546.765   75.481  423.959   85.988  202.849   15.007  174.393   20.114 28.45576 25.09564 
1 1 1  -10   32   19 o  145.939   12.083  277.705   43.638  287.221   56.468  263.596   68.758  146.365   15.695  136.768   20.786 9.596878 26.04592 
1 1 1  -10   32   20 o   68.698   17.656   65.972   30.454   46.347   38.164  100.380   50.533   59.452   20.822   82.535   23.428 -23.08368 31.34358 
1 1 1  -10   32   21 o   97.670   18.362  132.641   43.141  154.402   65.807  116.240   57.130  100.939   25.961   88.093   24.877 12.84522 35.95572 
1 1 1  -10   32   22 o   57.215   18.239   44.389   29.373   44.288   37.034   44.560   48.230   58.369   20.508   60.913   23.077 -2.544044 30.87222 
1 1 1  -10   32   23 o   46.609   18.907   16.661   34.320   0.4094   49.937   31.209   47.246   48.928   21.426   56.256   22.402 -7.327774 30.99874 
1 1 1  -10   32   24 o   66.106   20.690   61.466   37.953   84.497   55.109   40.686   52.345   75.996   25.042   60.606   23.754 15.39087 34.51614 
1 1 1  -10   32   25 o   78.844   20.061   88.920   39.595   93.016   60.075   85.774   52.649   79.034   26.151   76.414   24.425 2.620201 35.78346 
1 1 1  -10   32   26 o  128.178   12.825  216.004   40.499  235.069   51.158  183.995   66.288  132.099   15.823  111.164   24.536 20.93451 29.19557 
1 1 1  -10   32   27 o   65.626   17.907   60.451   30.162   70.244   37.537   42.609   50.669   70.091   20.286   60.614   23.477 9.476593 31.02748 
1 1 1  -10   32   28 o   83.012   16.143   94.789   32.258   90.633   39.931  102.597   54.732   79.404   20.115   82.572   24.658 -3.168152 31.82171 
1 1 1  -10   32   29 f   71.486   17.460   71.759   30.900   82.941   38.152   50.436   52.684   75.979   19.879   63.411   24.096 12.56839 31.23735 
1 1 1  -10   32   30 o   47.115   17.381   25.738   26.986   16.892   32.497   45.390   48.436   45.666   18.442   60.786   23.102 -15.12065 29.56061 
1 1 1  -10   32   31 o  101.638   14.130  138.572   34.894  124.164   43.209  165.587   59.166   93.541   19.143  105.774   23.051 -12.23322 29.96293 
1 1 1  -10   32   32 o   39.317   16.250   8.9101   25.951 -18.0826   30.625   77.666   48.877   34.083   15.674   72.616   23.567 -38.53320 28.30329 
1 1 1  -10   32   33 o   52.743   17.833   36.872   27.917   22.595   33.050   72.424   52.155   47.903   18.844   70.556   24.362 -22.65233 30.79953 
1 1 1  -10   32   34 o   31.857   14.331  -8.6820   23.890  -9.5225   27.535  -6.1226   48.047   34.162   15.374   46.061   20.550 -11.89878 25.66469 
1 1 1  -10   32   35 o   96.898   15.379  128.503   35.970  147.058   44.116   91.706   62.128  102.282   17.926   77.055   26.591 25.22736 32.06869 
1 1 1  -10   32   36 o  157.544   12.882  328.957   50.236  297.672   63.298  382.198   82.574  146.178   17.701  162.801   20.786 -16.62256 27.30150 
1 1 1  -10   32   37 o  131.860   13.636  233.199   44.252  238.443   54.866  223.439   74.856  130.782   17.218  119.091   25.908 11.69101 31.10773 
1 1 1  -10   32   38 f   84.235   16.692  100.214   33.871  102.613   40.661   94.776   61.224   83.411   19.815   76.923   26.405 6.488106 33.01279 
1 1 1  -10   32   39 o   56.728   18.069   45.767   28.833   62.759   33.352  -4.5038   57.366   65.305   19.185   49.214   22.166 16.09131 29.31578 
1 1 1  -10   33    1 o   45.171   21.025  -5.0333   57.636   45.886   67.189 -146.8783  112.142   55.982   24.674   45.266   22.718 10.71598 33.53942 
1 1 1  -10   33    2 o   66.534   25.863   85.784   61.662   30.122   72.163  236.386  118.700   54.640   24.712   87.977   35.346 -33.33714 43.12790 
1 1 1  -10   33    3 o   64.639   25.534   75.525   60.926   70.342   71.681   89.014  115.641   63.299   26.643   67.100   30.709 -3.801823 40.65607 
1 1 1  -10   33    4 o   52.634   22.979   26.353   57.059   86.408   66.295 -145.2645  112.070   68.261   26.739   47.236   23.556 21.02434 35.63471 
1 1 1  -10   33    5 o   76.452   26.330  107.965   60.900  116.733   71.728   85.324  115.269   77.138   28.355   69.139   31.254 7.998573 42.20012 
1 1 1  -10   33    6 o   91.126   14.579  117.322   32.056  188.765   56.693   83.746   38.866  109.243   21.548   72.617   20.523 36.62531 29.75723 
1 1 1  -10   33    7 o   95.013   14.932  127.414   34.260  180.585   58.024   98.954   42.450  106.228   22.570   78.992   21.115 27.23643 30.90650 
1 1 1  -10   33    8 o   43.832   16.850   22.170   25.951  -8.7672   49.883   33.650   30.387   44.582   20.313   50.202   18.456 -5.619751 27.44502 
1 1 1  -10   33    9 o   17.977   9.0127 -47.8457   17.420   1.5234   45.463 -56.3416   18.860   45.256   20.103   18.110   9.1192 27.14560 22.07467 
1 1 1  -10   33   10 o   56.172   18.998   45.211   31.685   64.528   74.458   40.940   35.013   67.060   27.600   54.623   19.851 12.43664 33.99765 
1 1 1  -10   33   11 o   37.357   15.795   6.1522   25.377   17.517   47.806   1.6935   29.943   50.481   21.525   38.414   16.711 12.06761 27.25038 
1 1 1  -10   33   12 o   65.973   17.354   62.996   28.974  137.161   45.897   13.857   37.359   96.433   19.724   45.809   19.256 50.62373 27.56511 
1 1 1  -10   33   13 o   40.896   16.561   13.617   26.281   17.785   42.770   11.088   33.312   49.205   20.639   43.310   18.193 5.894966 27.51291 
1 1 1  -10   33   14 o   45.927   17.477   23.770   27.741   12.208   42.223   32.552   36.798   47.562   20.253   52.342   20.078 -4.780571 28.51897 
1 1 1  -10   33   15 o   61.482   18.161   54.164   29.812   87.595   43.478   24.497   40.957   76.189   21.767   50.914   20.654 25.27544 30.00686 
1 1 1  -10   33   16 o   57.848   21.059   44.475   39.425   48.026   41.251   6.9944  134.014   59.550   21.562   69.818   32.348 -10.26817 38.87550 
1 1 1  -10   33   17 o  118.385   22.224  207.656   63.287  182.267   70.835  308.106  140.897  106.977   26.622  121.359   40.044 -14.38191 48.08624 
1 1 1  -10   33   18 o   42.354   17.195   13.899   28.410   34.797   38.580 -10.8605   41.994   54.095   20.604   42.031   18.945 12.06485 27.98987 
1 1 1  -10   33   19 o   53.570   18.227   38.396   29.166   40.570   38.288   35.390   45.019   56.330   20.715   56.088   22.015 0.2413292 30.22888 
1 1 1  -10   33   20 o   77.900   17.361   85.680   32.909   31.020   42.319  169.303   52.343   53.926   21.288  108.556   20.047 -54.62994 29.24140 
1 1 1  -10   33   21 o   38.506   16.515   2.9168   28.440   12.144   36.513 -11.3160   45.347   45.614   19.098   43.668   19.684 1.946377 27.42600 
1 1 1  -10   33   22 o   77.837   17.590   85.666   33.384   97.964   41.267   62.373   56.793   81.994   20.270   67.317   25.139 14.67712 32.29248 
1 1 1  -10   33   23 o   71.229   17.685   71.992   31.312   70.076   39.909   75.058   50.501   69.334   21.135   71.307   23.985 -1.972969 31.96871 
1 1 1  -10   33   24 o   64.240   17.888   58.534   29.757   40.875   37.613   88.080   48.651   56.432   20.565   76.549   23.336 -20.11732 31.10435 
1 1 1  -10   33   25 o   70.969   17.682   71.484   31.222   34.382   39.234  135.556   51.559   54.289   20.754   95.672   22.035 -41.38284 30.27041 
1 1 1  -10   33   26 o   84.140   20.761  103.753   43.354   93.397   63.285  112.911   59.512   77.833   26.838   85.030   25.785 -7.196877 37.21786 
1 1 1  -10   33   27 o   80.800   20.970   96.092   42.679  111.593   63.478   83.304   57.656   84.034   26.815   74.338   25.618 9.696793 37.08543 
1 1 1  -10   33   28 o  106.769   18.586  161.013   47.754  213.135   73.538  123.006   62.796  117.335   25.800   88.171   26.431 29.16473 36.93548 
1 1 1  -10   33   29 o   47.702   17.703   26.704   28.079   21.529   34.151   37.501   49.330   47.778   19.040   57.920   22.946 -10.14117 29.81674 
1 1 1  -10   33   30 o   53.783   18.165   38.906   28.967   75.971   35.410 -36.0676   50.362   72.446   19.247   41.342   19.377 31.10470 27.31123 
1 1 1  -10   33   31 o   68.393   17.992   66.898   31.142   75.496   37.719   48.485   55.196   71.826   20.189   62.436   24.414 9.389744 31.68054 
1 1 1  -10   33   32 o   48.160   17.792   27.789   28.297   14.449   33.759   59.302   51.887   44.979   18.557   65.258   24.095 -20.27884 30.41289 
1 1 1  -10   33   33 o   51.376   18.027   34.524   28.611   25.706   33.984   55.985   53.018   49.086   19.167   64.140   24.220 -15.05413 30.88648 
1 1 1  -10   33   34 o   54.451   18.162   40.754   28.953   30.697   33.676   69.256   56.692   50.869   19.280   68.671   25.214 -17.80222 31.74049 
1 1 1  -10   33   35 o  130.914   13.554  230.313   43.669  257.984   54.445  180.402   73.121  136.567   16.286  104.452   27.613 32.11516 32.05828 
1 1 1  -10   33   36 o   93.676   15.950  122.544   35.974  106.828   43.446  156.814   64.157   84.351   20.765   98.405   25.794 -14.05437 33.11377 
1 1 1  -10   33   37 o  107.174   14.757  157.947   38.447  157.386   46.609  159.143   68.014  104.331   18.570   97.482   27.009 6.848831 32.77689 
1 1 1  -10   34    3 o   47.934   22.016   11.208   60.175   35.386   69.373 -62.2686  120.934   53.513   24.214   50.720   25.155 2.793831 34.91535 
1 1 1  -10   34    4 o   44.777   20.893  -7.7408   57.465   3.5724   65.370 -46.2150  120.550   48.481   22.508   52.707   25.948 -4.225983 34.34965 
1 1 1  -10   34    5 o   75.170   26.786  114.876   63.386  103.384   73.157  149.480  126.947   69.975   27.873   72.719   32.843 -2.743935 43.07617 
1 1 1  -10   34    6 o   59.692   24.910   56.762   61.834   74.657   69.522 -10.9873  135.273   64.220   26.574   58.818   28.644 5.402161 39.07201 
1 1 1  -10   34    7 o   46.130   21.174  -4.1925   55.542  -0.9272   63.317 -15.0927  115.684   48.903   22.506   57.130   27.497 -8.227222 35.53304 
1 1 1  -10   34    8 f   39.500   15.975   14.789   24.423 -17.5853   52.168   23.876   27.639   42.984   20.006   44.549   17.316 -1.565140 26.45922 
1 1 1  -10   34    9 o   33.742   14.635   1.8657   22.826   15.371   50.138  -1.6654   25.637   49.132   21.493   34.289   15.170 14.84256 26.30755 
1 1 1  -10   34   10 o   52.872   17.830   40.541   27.906   40.045   51.539   40.747   33.193   56.112   23.013   53.431   19.342 2.680408 30.06189 
1 1 1  -10   34   11 o   41.869   16.488   18.503   25.330   36.999   48.431   11.539   29.719   54.968   22.399   41.034   17.208 13.93386 28.24557 
1 1 1  -10   34   12 o   70.609   19.396   76.109   35.250  288.614   80.741   26.068   39.181  132.312   25.360   49.565   20.166 82.74756 32.40049 
1 1 1  -10   34   13 o   26.103   12.569 -31.9879   24.242  -7.7340   67.321 -35.6016   25.986   50.912   23.348   26.709   12.899 24.20344 26.67444 
1 1 1  -10   34   14 f  104.395   14.191  150.161   36.036  227.814   53.638   86.278   48.651  126.039   17.515   73.250   23.486 52.78921 29.29814 
1 1 1  -10   34   15 o   62.760   18.294   58.032   30.431   53.670   46.094   61.402   40.516   61.057   22.678   63.799   21.484 -2.741341 31.23808 
1 1 1  -10   34   16 o   73.880   17.536   79.395   31.869  122.635   45.700   38.463   44.463   89.988   20.760   55.716   21.876 34.27239 30.15811 
1 1 1  -10   34   17 o   69.963   17.867   71.438   31.325   77.975   43.853   64.626   44.763   71.076   22.239   65.504   22.573 5.572052 31.68755 
1 1 1  -10   34   18 o   25.322   12.331 -40.5626   25.064 -22.0047   35.236 -59.5680   35.659   35.564   16.516   29.538   14.454 6.025339 21.94733 
1 1 1  -10   34   19 o   84.094   25.517  114.970   58.268  111.912   63.312  131.905  148.979   82.145   26.830   84.106   36.914 -1.960915 45.63475 
1 1 1  -10   34   20 f   49.621   19.634   26.172   36.079 -15.3435   52.882   62.324   49.349   45.546   20.815   65.255   23.590 -19.70883 31.46056 
1 1 1  -10   34   21 o   40.771   17.283   7.3729   30.510   34.145   37.752 -43.0386   51.804   53.117   20.346   40.501   19.187 12.61544 27.96639 
1 1 1  -10   34   22 o   65.293   18.406   61.891   31.303   81.074   40.360   32.931   49.590   73.475   20.966   55.864   22.703 17.61087 30.90304 
1 1 1  -10   34   23 o  106.249   14.245  153.456   36.843  161.097   47.097  141.404   59.146  106.159   18.435   94.546   24.758 11.61246 30.86765 
1 1 1  -10   34   24 o   51.932   18.446   35.403   30.037   18.923   37.760   63.799   49.565   47.873   19.673   66.097   23.672 -18.22407 30.78030 
1 1 1  -10   34   25 o   52.241   18.477   35.995   30.107   51.734   38.136   9.9579   49.051   60.461   20.835   49.646   21.493 10.81480 29.93371 
1 1 1  -10   34   26 f   59.110   18.372   49.778   29.984   22.447   37.394   99.000   50.183   48.943   19.777   79.871   23.553 -30.92792 30.75506 
1 1 1  -10   34   27 o   45.191   17.571   21.360   28.466   9.6161   35.086   43.982   48.696   43.807   18.550   59.209   22.993 -15.40224 29.54286 
1 1 1  -10   34   28 o   45.013   17.573   20.873   28.561   22.629   35.075   17.419   49.205   48.156   19.261   51.571   21.910 -3.415878 29.17218 
1 1 1  -10   34   29 o  116.881   18.602  194.985   52.475  234.516   78.318  162.778   70.690  120.865   26.664   99.114   27.561 21.75097 38.34828 
1 1 1  -10   34   30 o  120.142   18.946  207.036   54.957  244.624   83.045  177.748   73.304  122.051   27.861  103.359   27.796 18.69224 39.35564 
1 1 1  -10   34   31 o   48.888   20.436   17.834   41.717 -51.8075   66.278   63.526   53.685   45.276   21.523   66.090   24.488 -20.81337 32.60211 
1 1 1  -10   34   32 o   83.296   16.830   98.583   33.803  106.176   41.083   82.671   59.477   84.683   19.784   72.519   25.936 12.16403 32.62024 
1 1 1  -10   34   33 o   86.745   16.109  105.926   33.610  102.671   40.232  113.444   61.148   83.170   19.678   82.817   26.307 0.3531494 32.85254 
1 1 1  -10   34   34 o   49.707   17.928   32.152   28.479   16.931   33.102   75.514   55.873   45.007   18.449   69.608   25.111 -24.60042 31.15951 
1 1 1  -10   34   35 f   42.576   17.047   16.955   27.507   2.3243   31.639   62.251   55.669   39.479   17.176   64.980   24.750 -25.50121 30.12649 
1 1 1  -10   34   36 o   49.856   18.220   32.472   29.553   25.339   34.016   54.431   59.683   48.130   19.058   62.778   25.119 -14.64792 31.53102 
1 1 1  -10   35    5 o   67.108   26.873  104.874   68.365  131.336   78.971   25.730  136.575   71.202   28.751   56.387   27.732 14.81478 39.94652 
1 1 1  -10   35    6 o   62.683   25.923   80.977   66.109   59.857   73.819  166.541  148.582   58.119   25.726   68.636   32.510 -10.51770 41.45752 
1 1 1  -10   35    7 o   41.254   19.754 -32.9371   58.008  -9.2943   65.616 -117.5292  124.115   46.559   21.916   48.801   24.405 -2.241562 32.80147 
1 1 1  -10   35    8 o   55.226   24.085   40.966   62.532   32.333   69.698   76.592  141.582   54.500   24.500   64.403   30.845 -9.903145 39.39155 
1 1 1  -10   35    9 o   62.743   25.469   69.995   62.317   63.767   69.511   95.499  140.665   61.392   26.060   67.366   31.825 -5.973980 41.13327 
1 1 1  -10   35   10 o   40.374   16.252   16.759   25.148   37.822   53.553   10.801   28.483   54.357   22.962   39.503   16.720 14.85373 28.40490 
1 1 1  -10   35   11 o   64.931   18.030   65.077   30.274   33.262   54.685   79.137   36.352   53.848   22.992   70.352   19.836 -16.50416 30.36641 
1 1 1  -10   35   12 o   37.986   15.901   9.9100   25.305   45.533   50.168  -2.2458   29.306   56.790   22.921   36.114   16.085 20.67568 28.00239 
1 1 1  -10   35   13 o   37.632   15.877   8.3285   25.548   67.511   48.553 -14.3313   30.043   64.264   23.373   33.521   15.455 30.74306 28.02090 
1 1 1  -10   35   14 o   52.195   18.152   39.094   28.978   22.240   51.130   47.069   35.173   51.297   22.075   56.327   19.966 -5.030342 29.76517 
1 1 1  -10   35   15 o   65.749   20.283   67.383   36.625  119.919   76.680   51.855   41.687   79.124   29.277   58.907   21.622 20.21719 36.39567 
1 1 1  -10   35   16 o   76.483   17.767   86.893   33.285   68.900   50.061  101.150   44.562   65.673   23.757   79.605   21.784 -13.93229 32.23224 
1 1 1  -10   35   17 o   46.039   17.620   25.339   28.299 -12.2869   42.471   55.383   37.952   40.801   18.649   60.585   20.790 -19.78444 27.92887 
1 1 1  -10   35   18 o   81.370   17.049   96.264   33.535  111.096   47.773   81.856   47.086   83.432   22.441   71.297   23.131 12.13524 32.22763 
1 1 1  -10   35   19 o   72.143   20.051   79.594   37.424   72.642   62.397   83.501   46.771   67.846   26.116   72.211   23.015 -4.365555 34.80987 
1 1 1  -10   35   20 o   35.904   16.870 -28.4375   38.567 -28.4375   38.567   0.0000   0.0000   35.904   16.870  ?   ?  0.000000 16.86952 
1 1 1  -10   35   21 o   37.079   17.141 -19.2421   37.324 -22.1160   38.424   28.805  157.111   37.080   17.229   70.929   33.547 -33.84872 37.71249 
1 1 1  -10   35   22 o   40.170   18.700 -24.9355   45.609 -34.7098   47.450   93.766  165.357   39.364   18.562   77.793   36.004 -38.42836 40.50700 
1 1 1  -10   35   23 o   43.399   17.728   15.899   30.432 -38.7441   40.072   90.350   46.775   35.032   16.677   75.601   22.845 -40.56856 28.28418 
1 1 1  -10   35   24 o   49.536   18.366   31.111   30.208   19.960   38.603   48.726   48.517   47.980   19.823   59.801   23.026 -11.82051 30.38383 
1 1 1  -10   35   25 o   71.951   18.302   76.242   32.961   63.651   41.429   97.956   54.406   64.909   21.725   77.558   24.833 -12.64856 32.99487 
1 1 1  -10   35   26 o   39.951   17.031   6.5846   29.917   27.429   37.041 -32.5241   50.737   50.017   19.862   41.308   19.389 8.708992 27.75685 
1 1 1  -10   35   27 o   40.891   17.159   9.8719   29.583 -15.3275   36.578   57.522   50.299   37.622   17.237   63.008   23.633 -25.38676 29.25105 
1 1 1  -10   35   28 o   44.741   17.737   20.301   29.496   16.512   36.430   27.513   50.257   46.079   19.165   53.816   22.458 -7.736320 29.52383 
1 1 1  -10   35   29 o  186.334   12.440  463.615   57.552  486.918   72.991  425.321   93.569  187.406   15.743  166.028   23.202 21.37772 28.03904 
1 1 1  -10   35   30 o  133.736   13.226  241.872   43.590  236.461   54.128  251.858   73.528  128.919   17.246  126.101   24.230 2.817398 29.74073 
1 1 1  -10   35   31 o   58.586   18.861   50.189   31.351   58.328   37.659   31.810   56.589   62.384   20.708   56.279   23.680 6.105663 31.45754 
1 1 1  -10   35   32 o  113.074   20.374  192.055   55.414  161.919   83.508  215.766   74.072   92.209   30.844  113.257   26.637 -21.04833 40.75398 
1 1 1  -10   35   33 o   77.826   23.970   99.420   51.172  174.286   81.645   50.983   65.672   96.039   30.386   62.292   25.806 33.74705 39.86549 
1 1 1  -10   35   34 o   37.173   17.580 -33.6879   43.125 -10.7257   71.554 -46.7868   54.043   51.503   23.783   40.166   19.188 11.33725 30.55839 
1 1 1  -10   36    7 o   54.985   24.365   56.701   66.389   38.227   75.944  116.569  136.715   52.405   24.305   60.857   29.439 -8.452522 38.17546 
1 1 1  -10   36    8 o   49.250   22.728   19.627   65.191   8.2464   72.224   69.666  151.445   48.706   22.947   59.115   29.099 -10.40894 37.05825 
1 1 1  -10   36    9 o   39.756   19.321 -47.5882   60.704 -51.6371   66.436 -27.1132  149.398   40.999   19.989   54.902   27.350 -13.90309 33.87586 
1 1 1  -10   36   10 o   38.256   18.676 -58.1008   58.534 -65.6133   63.748 -17.7272  147.782   39.179   19.204   56.340   27.919 -17.16069 33.88575 
1 1 1  -10   36   11 o   53.380   23.668   34.048   62.733   68.502   68.731 -137.9194  153.551   61.012   25.907   51.915   26.126 9.096523 36.79298 
1 1 1  -10   36   12 f   32.744   14.629  -2.5546   24.437   0.3775   53.909  -3.3129   27.415   45.563   20.895   34.229   15.379 11.33420 25.94405 
1 1 1  -10   36   13 o   66.212   18.020   68.839   30.591  126.184   56.799   45.409   36.306   81.991   25.254   54.260   20.132 27.73052 32.29596 
1 1 1  -10   36   14 o   62.041   18.516   60.586   30.869   87.132   54.840   48.274   37.347   68.958   24.877   55.759   20.466 13.19894 32.21380 
1 1 1  -10   36   15 f   62.086   18.634   60.346   31.200   21.855   53.013   80.743   38.590   50.636   22.127   70.279   20.634 -19.64314 30.25544 
1 1 1  -10   36   16 o   55.225   18.676   46.233   30.619   32.286   51.694   53.771   38.003   53.141   22.511   58.561   20.754 -5.420494 30.61811 
1 1 1  -10   36   17 o   66.732   20.473   71.400   37.373  157.604   80.590   47.781   42.183   86.936   30.269   56.640   21.552 30.29563 37.15750 
1 1 1  -10   36   18 o   34.140   15.507  -8.7299   28.790 -30.9451   57.240  -1.2070   33.309   42.962   20.298   38.555   17.163 4.407410 26.58117 
1 1 1  -10   36   19 o   63.710   22.974   65.510   46.763   65.510   46.763   0.0000   0.0000   63.710   22.974  ?   ?  0.000000 22.97416 
1 1 1  -10   36   20 o   52.321   18.587   39.035   30.498   61.172   44.201   18.918   42.136   62.301   22.350   47.829   20.295 14.47221 30.19001 
1 1 1  -10   36   21 f   41.199   17.128   13.074   29.075   1.9845   41.252   24.021   40.986   43.171   19.164   49.083   20.364 -5.912144 27.96384 
1 1 1  -10   36   22 o   67.203   19.100   69.206   33.564   60.002   45.504   80.190   49.708   62.151   22.624   69.558   23.795 -7.406845 32.83335 
1 1 1  -10   36   23 o   80.455   18.108   96.693   35.503   75.781   46.093  127.201   55.672   68.331   22.915   86.672   24.586 -18.34086 33.60920 
1 1 1  -10   36   24 f   27.773   13.909 -100.2073   40.986 -107.9910   41.981   58.176  189.369   27.608   13.862   72.559   34.988 -44.95103 37.63354 
1 1 1  -10   36   25 o   71.178   25.015   85.281   55.101   82.675   57.565  113.771  190.357   70.118   25.458   76.720   36.472 -6.601913 44.47819 
1 1 1  -10   36   26 o   71.043   19.073   76.922   34.549   72.797   44.025   83.536   55.743   67.469   22.390   70.550   25.122 -3.081810 33.65129 
1 1 1  -10   36   27 o   93.224   16.727  125.710   37.509  151.608   47.217   81.414   61.752  100.160   19.580   69.568   26.167 30.59130 32.68158 
1 1 1  -10   36   28 o   73.687   18.887   82.467   34.915   88.304   43.169   71.427   59.371   74.228   21.833   66.497   25.505 7.730698 33.57327 
1 1 1  -10   36   29 o   51.911   19.073   37.009   32.448   1.9382   39.650  108.119   56.460   42.623   18.861   79.136   25.293 -36.51282 31.55137 
1 1 1  -10   36   30 o   41.164   17.291   11.528   30.089   2.8133   36.465   30.121   53.261   41.405   18.216   54.057   22.871 -12.65116 29.23866 
1 1 1  -10   36   31 o   50.739   18.672   35.147   31.114   19.855   37.156   71.039   56.924   46.603   19.367   65.956   25.050 -19.35224 31.66391 
1 1 1  -10   36   32 o   51.942   18.661   38.114   30.822   18.001   36.443   88.653   57.768   45.676   19.098   71.405   25.558 -25.72845 31.90500 
1 1 1  -10   37    9 o   46.175   21.882   8.9831   67.479   9.8681   73.762   4.4415  167.086   47.147   22.494   52.753   26.635 -5.605743 34.86238 
1 1 1  -10   37   10 f   45.459   21.480   2.6563   64.136   11.607   70.044 -43.7826  159.546   47.621   22.485   51.783   26.131 -4.162388 34.47328 
1 1 1  -10   37   11 o   37.465   18.458 -65.6121   61.393 -40.6544   66.228 -218.0564  163.680   41.272   20.086   47.158   24.062 -5.886200 31.34404 
1 1 1  -10   37   12 o   40.025   19.396 -40.2879   60.029 -49.2081   64.512   17.282  163.891   40.341   19.675   56.827   28.362 -16.48564 34.51824 
1 1 1  -10   37   13 o   54.084   24.053   43.201   65.271   42.423   71.226   47.278  163.068   54.460   24.598   59.417   29.423 -4.956608 38.35047 
1 1 1  -10   37   14 o   40.637   16.697   17.606   27.195 -69.0589   55.049   45.584   31.278   35.821   17.615   53.194   18.831 -17.37328 25.78579 
1 1 1  -10   37   15 o   35.003   15.364   2.8614   25.814   58.867   53.518 -14.1198   29.469   58.182   23.607   32.441   15.078 25.74075 28.01180 
1 1 1  -10   37   16 o   42.765   17.181   21.436   28.047   39.377   54.113   14.847   32.796   53.534   22.865   41.977   17.862 11.55651 29.01487 
1 1 1  -10   37   17 f   39.158   16.793   9.6745   29.404 -61.3803   63.986   28.696   33.107   40.297   19.641   47.030   18.745 -6.732975 27.15024 
1 1 1  -10   37   18 o   45.688   20.394   9.5002   47.383   9.5002   47.383   0.0000   0.0000   45.688   20.394  ?   ?  0.000000 20.39396 
1 1 1  -10   37   19 o   47.117   18.971   27.291   34.276   8.7416   81.479   31.279   37.782   53.562   24.954   49.288   19.892 4.273781 31.91240 
1 1 1  -10   37   20 f   51.852   18.835   39.868   31.513   77.824   49.696   14.343   40.754   66.372   23.711   45.123   19.563 21.24930 30.73922 
1 1 1  -10   37   21 o   47.642   18.316   30.167   30.663   3.0819   46.019   51.795   41.121   44.298   19.912   57.391   21.399 -13.09337 29.22991 
1 1 1  -10   37   22 o   62.947   19.091   62.631   32.622   53.641   46.157   71.603   46.112   58.391   22.466   64.888   22.876 -6.496349 32.06289 
1 1 1  -10   37   23 o   57.261   19.416   50.914   33.095   65.444   46.637   36.173   46.971   62.689   22.891   53.115   21.898 9.573750 31.67866 
1 1 1  -10   37   24 o   39.133   17.051   5.1761   31.277   22.766   42.468 -15.6738   46.236   48.329   20.434   40.868   18.958 7.460758 27.87389 
1 1 1  -10   37   25 o   85.258   17.639  109.705   36.316  125.184   47.739   88.444   55.948   87.041   21.964   70.126   25.147 16.91474 33.38802 
1 1 1  -10   37   26 o   68.944   22.624   80.478   44.997   67.637   45.973  373.323  219.545   63.745   22.802   89.199   41.354 -25.45416 47.22393 
1 1 1  -10   37   27 f   66.443   24.802   77.037   55.268   92.148   57.098 -147.5145  220.105   71.272   25.420   61.134   30.830 10.13776 39.95818 
1 1 1  -10   37   28 o   90.873   20.364  131.180   45.067  151.178   62.201  109.083   65.386   90.920   26.055   75.320   27.165 15.60011 37.64078 
1 1 1  -10   37   29 o   78.786   18.729   96.305   36.307   95.491   45.214   97.782   60.919   75.126   22.407   72.395   26.204 2.731049 34.47762 
1 1 1  -10   38   15 o   47.931   22.427   14.287   66.964   36.085   72.263 -118.2241  178.169   51.758   23.900   50.930   25.904 0.8277740 35.24511 
1 1 1  -10   38   16 o   40.268   17.014   16.293   29.409 -13.9754   69.815   22.822   32.426   45.214   21.656   43.324   18.056 1.890221 28.19575 
1 1 1  -10   38   17 o   49.694   22.196   28.913   56.224   28.913   56.224   0.0000   0.0000   49.694   22.196  ?   ?  0.000000 22.19636 
1 1 1  -10   38   18 o   44.476   17.531   26.981   28.660   6.4049   52.480   35.726   34.213   44.943   20.612   48.744   19.173 -3.801552 28.15073 
1 1 1  -10   38   19 o   74.580   18.640   91.241   34.620  117.311   56.395   75.475   43.856   75.620   25.347   63.856   22.323 11.76412 33.77587 
1 1 1  -10   38   20 o   31.027   14.378 -12.3214   26.498   42.170   47.942 -36.2899   31.796   52.745   21.966   29.427   14.226 23.31799 26.17010 
1 1 1  -10   38   21 o   35.945   16.460  -7.1467   33.283 -45.3894   83.820   0.0115   36.264   46.373   22.575   38.945   17.575 7.428596 28.60959 
1 1 1  -10   38   22 o   56.235   20.977   52.682   39.525   69.232   85.109   48.131   44.629   61.024   27.279   54.705   21.777 6.319233 34.90529 
1 1 1  -10   38   23 o   45.040   18.340   24.544   32.437   21.833   48.473   26.743   43.651   48.148   21.096   48.333   20.588 -0.1859436 29.47684 
1 1 1  -10   38   24 o   40.994   17.516   13.014   31.774   21.974   45.804   4.7032   44.114   47.665   20.702   43.140   19.433 4.525425 28.39430 
1 1 1   -9  -39    1 o   49.990   18.782   51.126   31.798 -22.7340  188.921   53.280   32.258   45.558   23.415   50.776   18.949 -5.217220 30.12213 
1 1 1   -9  -38    1 o   64.567   19.833   79.323   35.061  112.179  184.906   78.098   35.708   54.374   27.519   63.631   20.091 -9.257065 34.07322 
1 1 1   -9  -38    2 o   28.948   13.310  -5.1244   22.069   99.731  191.616  -6.5339   22.217   51.645   26.323   28.647   13.237 22.99814 29.46384 
1 1 1   -9  -38    3 o   31.642   14.159   3.6208   22.990  189.987  196.589   1.0367   23.149   51.526   26.298   30.928   13.991 20.59802 29.78830 
1 1 1   -9  -37    1 o   39.405   15.840   18.798   23.852 -10.4444   80.935   21.579   24.960   47.393   22.858   40.912   16.286 6.481106 28.06613 
1 1 1   -9  -37    2 o   63.392   19.782   73.148   34.725   0.0000   0.0000   73.148   34.725  ?   ?    63.392   19.782 0.000000 19.78225 
1 1 1   -9  -37    3 o   51.488   18.439   47.080   30.072  133.259  191.322   44.897   30.450   56.210   28.395   50.433   18.485 5.777275 33.88115 
1 1 1   -9  -37    4 o   68.915   20.281   92.581   37.240  107.061  202.745   92.076   37.885   52.791   26.922   68.248   20.545 -15.45665 33.86605 
1 1 1   -9  -37    5 o   53.825   27.487  270.125  217.506  270.125  217.506   0.0000   0.0000   53.825   27.487  ?   ?  0.000000 27.48697 
1 1 1   -9  -36    1 o   65.583   18.292   69.504   31.089   6.9966   81.508   80.146   33.632   51.807   24.399   70.092   18.819 -18.28469 30.81288 
1 1 1   -9  -36    2 o   51.011   17.504   41.006   26.903   49.113   81.694   40.020   28.492   56.564   25.859   50.473   17.962 6.091248 31.48489 
1 1 1   -9  -36    3 o   53.728   17.590   47.210   27.205  141.141   82.499   35.749   28.817   71.996   29.274   47.992   17.910 24.00387 34.31805 
1 1 1   -9  -36    4 o   98.004   19.799  165.284   46.788  164.083  203.405  165.351   48.078   60.662   30.465   97.040   20.483 -36.37796 36.71107 
1 1 1   -9  -36    5 o   71.564   19.908   93.710   36.875  380.188  211.465   84.726   37.449   65.784   32.733   66.932   20.487 -1.148178 38.61560 
1 1 1   -9  -36    6 o   50.197   18.324   45.443   29.882  389.185  221.740   39.085   30.157   61.299   30.917   47.374   18.176 13.92431 35.86366 
1 1 1   -9  -35    1 o  105.699   31.448  237.563   89.148  237.563   89.148   0.0000   0.0000  105.699   31.448  ?   ?  0.000000 31.44815 
1 1 1   -9  -35    2 o  150.966   14.978  328.292   55.720  362.072   97.393  311.855   67.937  135.154   29.670  140.389   19.939 -5.235596 35.74736 
1 1 1   -9  -35    3 o   38.255   15.453   14.990   22.821   51.741   75.679   11.313   23.936   58.251   25.903   37.213   15.511 21.03810 30.19226 
1 1 1   -9  -35    4 o   65.591   17.793   69.180   29.884  157.922   82.609   55.818   32.054   79.058   30.141   58.032   19.098 21.02595 35.68209 
1 1 1   -9  -35    5 o   62.345   18.895   65.732   31.963  315.557  202.604   59.355   32.369   72.023   35.070   59.033   19.180 12.99034 39.97197 
1 1 1   -9  -35    6 o   50.195   18.183   41.418   29.341  220.492  209.035   37.819   29.635   63.589   31.782   48.557   18.154 15.03186 36.60120 
1 1 1   -9  -35    7 o   49.271   18.121   40.988   29.301   79.882  218.567   40.276   29.568   55.928   28.469   48.936   18.165 6.992321 33.77102 
1 1 1   -9  -35    8 f   54.974   28.091  153.891  230.426  153.891  230.426   0.0000   0.0000   54.974   28.091  ?   ?  0.000000 28.09123 
1 1 1   -9  -34    1 o  111.509   15.259  174.571   41.376  190.419   80.769  168.933   48.177  100.627   29.933  106.817   18.745 -6.190788 35.31768 
1 1 1   -9  -34    2 o   46.614   16.629   29.326   24.435   26.361   72.490   29.707   25.954   56.890   25.322   47.113   17.096 9.777363 30.55276 
1 1 1   -9  -34    3 o   67.062   28.413   80.238   82.380   80.238   82.380   0.0000   0.0000   67.062   28.413  ?   ?  0.000000 28.41296 
1 1 1   -9  -34    4 o  137.189   14.997  270.278   50.540  322.470   92.815  248.280   60.257  128.037   29.618  125.696   19.856 2.340652 35.65807 
1 1 1   -9  -34    5 o   79.390   17.183   96.885   33.078  202.126   84.028   77.586   35.983   93.823   30.923   68.490   19.873 25.33279 36.75808 
1 1 1   -9  -34    6 o   61.478   18.791   62.066   31.516  185.878  198.949   58.879   31.919   68.798   33.763   59.768   19.009 9.030350 38.74609 
1 1 1   -9  -34    7 o   26.227   12.172 -11.1502   19.090 -42.4521  197.549 -10.8551   19.180   56.744   28.687   26.381   12.228 30.36312 31.18416 
1 1 1   -9  -34    8 o   58.797   19.233   60.230   32.527   85.862  220.684   59.661   32.886   59.126   29.940   58.426   19.349 0.6998978 35.64828 
1 1 1   -9  -34    9 o   33.488   14.678   4.7981   23.484   74.883  227.292   4.0419   23.610   56.182   28.638   33.293   14.652 22.88835 32.16883 
1 1 1   -9  -33    1 o   79.841   17.341   90.995   33.585   18.676   73.191  110.284   37.800   58.788   25.836   87.804   17.848 -29.01599 31.40143 
1 1 1   -9  -33    2 o  119.096   15.402  196.419   44.734  167.476   84.123  207.830   52.821   95.376   30.915  120.388   18.132 -25.01191 35.84028 
1 1 1   -9  -33    3 o   55.660   17.169   44.805   26.243   73.983   72.076   40.346   28.177   68.650   27.556   53.326   17.916 15.32356 32.86855 
1 1 1   -9  -33    4 o   55.809   25.539   8.1742   79.948   8.1742   79.948   0.0000   0.0000   55.809   25.539  ?   ?  0.000000 25.53857 
1 1 1   -9  -33    5 o   89.264   17.563  119.012   37.756   33.408   78.127  145.097   43.126   58.421   26.125   98.149   18.268 -39.72729 31.87810 
1 1 1   -9  -33    6 o   64.352   17.825   64.103   29.629   64.905   73.822   63.949   32.349   62.682   26.738   63.572   18.951 -0.8902092 32.77268 
1 1 1   -9  -33    7 o   37.477   15.196   13.508   22.161   45.956   73.774   10.290   23.234   57.763   25.636   36.631   15.276 21.13144 29.84242 
1 1 1   -9  -33    8 o  101.359   18.955  163.848   46.213  308.925  219.247  157.103   47.275   74.947   36.491   97.977   19.999 -23.03040 41.61205 
1 1 1   -9  -33    9 o   36.359   15.234   10.941   23.259 -182.4323  212.315   13.290   23.400   53.707   27.404   37.364   15.435 16.34348 31.45178 
1 1 1   -9  -33   10 o   26.185   12.148 -10.5156   18.990 -108.3235  229.969  -9.8441   19.055   54.411   27.825   26.428   12.228 27.98282 30.39302 
1 1 1   -9  -32    1 o   88.384   16.204  107.312   34.445   93.699   77.001  110.717   38.514   79.251   29.335   88.944   17.959 -9.692978 34.39566 
1 1 1   -9  -32    2 o   44.442   16.216   23.224   23.396   28.758  174.237   23.122   23.609   78.738   36.619   44.467   16.280 34.27090 40.07473 
1 1 1   -9  -32    3 o   37.038   14.817   11.094   20.760 -55.5185   66.065   18.393   21.868   45.030   21.430   41.166   15.552 3.864178 26.47821 
1 1 1   -9  -32    4 o   80.806   16.618   92.771   32.414  100.852   72.407   90.746   36.249   77.752   28.503   78.697   18.718 -0.9447250 34.09973 
1 1 1   -9  -32    5 o   30.638   13.562  -3.4898   20.517   48.613   66.224  -9.0217   21.578   62.204   25.853   29.641   13.449 32.56257 29.14234 
1 1 1   -9  -32    6 o   64.780   18.185   63.072   30.623 -13.1136   70.803   80.603   33.964   50.616   23.473   73.052   18.576 -22.43655 29.93398 
1 1 1   -9  -32    7 o   56.491   17.421   47.730   27.021   96.911   71.526   39.543   29.184   72.068   27.900   52.229   18.213 19.83946 33.31831 
1 1 1   -9  -32    8 o   69.779   18.094   75.386   31.792   61.674   74.829   78.406   35.120   62.292   26.754   70.200   19.392 -7.908016 33.04298 
1 1 1   -9  -32    9 o  155.100   19.400  377.235   73.495  300.532  237.952  385.323   77.273   76.762   37.514  155.090   20.451 -78.32786 42.72646 
1 1 1   -9  -32   10 o   33.332   14.406   3.9729   21.961   69.193  219.527   3.3136   22.072   64.033   32.087   33.155   14.385 30.87817 35.16389 
1 1 1   -9  -32   11 o   76.734   19.815   99.641   38.233  118.002  242.137   99.172   38.719   63.178   31.918   76.252   20.063 -13.07367 37.69987 
1 1 1   -9  -32   12 o   56.949   29.131 -21.4358  253.794 -21.4358  253.794   0.0000   0.0000   56.949   29.131  ?   ?  0.000000 29.13117 
1 1 1   -9  -31    1 o  104.798   15.770  147.137   39.992   60.023   72.846  184.721   47.848   71.589   28.032  117.118   16.845 -45.52826 32.70417 
1 1 1   -9  -31    2 o   37.135   14.789   10.582   20.591   20.847   62.916   9.3502   21.791   58.788   24.865   37.307   15.089 21.48102 29.08510 
1 1 1   -9  -31    3 o   62.092   18.364   53.754   30.466 -241.6393  180.157   62.450   30.911   62.854   31.089   66.683   18.099 -3.828800 35.97416 
1 1 1   -9  -31    4 o   45.434   16.153   25.201   23.038   13.572   62.593   27.024   24.777   56.003   24.262   46.942   16.745 9.060184 29.47927 
1 1 1   -9  -31    5 o   79.190   16.736   88.223   32.060   65.609   67.613   94.782   36.414   69.081   27.019   81.299   18.369 -12.21828 32.67156 
1 1 1   -9  -31    6 o   93.801   16.801  124.161   37.909   47.803   73.485  151.850   44.252   64.523   27.058  103.254   17.805 -38.73129 32.39083 
1 1 1   -9  -31    7 o   51.951   23.828  -9.3906   70.156  -9.3906   70.156   0.0000   0.0000   51.951   23.828  ?   ?  0.000000 23.82832 
1 1 1   -9  -31    8 o   57.975   17.378   49.502   27.147   79.490   70.747   44.325   29.397   69.186   27.457   55.155   18.296 14.03127 32.99419 
1 1 1   -9  -31    9 o   48.060   16.995   31.990   25.470   25.943   72.452   32.843   27.206   56.492   25.217   48.762   17.530 7.729870 30.71207 
1 1 1   -9  -31   10 o   61.093   18.798   58.477   31.481  111.019  224.235   57.420   31.796   71.025   35.047   60.504   18.937 10.52074 39.83620 
1 1 1   -9  -31   11 o  102.370   18.637  162.960   45.888  406.624  243.790  154.010   46.723   82.320   39.695   98.293   19.721 -15.97324 44.32404 
1 1 1   -9  -31   12 o   39.085   15.921   15.585   24.456   0.0000   0.0000   15.585   24.456  ?   ?    39.085   15.921 0.000000 15.92062 
1 1 1   -9  -31   13 o   59.167   30.203 -35.3817  260.187 -35.3817  260.187   0.0000   0.0000   59.167   30.203  ?   ?  0.000000 30.20255 
1 1 1   -9  -30    1 o  129.685   15.212  220.956   48.327  162.437   84.092  249.815   59.053  104.222   30.420  136.853   17.694 -32.63105 35.19174 
1 1 1   -9  -30    2 o  174.256   16.409  401.229   70.561  162.699  110.154  567.214   91.889  102.281   35.400  206.301   18.017 -104.0197 39.72168 
1 1 1   -9  -30    3 o   69.062   26.771   54.915   65.927   54.915   65.927   0.0000   0.0000   69.062   26.771  ?   ?  0.000000 26.77141 
1 1 1   -9  -30    5 o   57.133   24.922   8.7776   66.985   8.7776   66.985   0.0000   0.0000   57.133   24.922  ?   ?  0.000000 24.92188 
1 1 1   -9  -30    6 o   60.323   18.337   50.850   30.072   2.7829   71.323   61.242   33.164   56.759   25.198   65.649   19.087 -8.890823 31.61069 
1 1 1   -9  -30    7 f  125.121   16.343  215.275   49.844   89.518   89.737  271.383   59.940   77.269   30.842  139.708   17.570 -62.43873 35.49502 
1 1 1   -9  -30    8 o   78.637   29.204  102.733   76.440  102.733   76.440   0.0000   0.0000   78.637   29.204  ?   ?  0.000000 29.20419 
1 1 1   -9  -30    9 o   79.072   17.374   90.712   33.369   61.778   72.567   98.470   37.578   66.399   27.278   81.525   18.837 -15.12631 33.15013 
1 1 1   -9  -30   10 o  151.936   15.373  323.453   57.525  263.558   95.759  357.273   71.956  116.328   31.974  155.606   18.906 -39.27762 37.14579 
1 1 1   -9  -30   11 o   76.622   18.344   89.399   34.633   40.840   89.472   97.957   37.560   61.507   27.695   79.698   19.118 -18.19031 33.65263 
1 1 1   -9  -30   12 o   72.905   36.076  155.422  243.534  155.422  243.534   0.0000   0.0000   72.905   36.076  ?   ?  0.000000 36.07606 
1 1 1   -9  -30   13 o  101.988   19.141  163.555   46.959  423.297  247.600  153.863   47.827   82.686   39.905   97.582   20.289 -14.89590 44.76651 
1 1 1   -9  -30   14 o   48.883   17.965   35.624   28.789   21.098  270.908   35.790   28.953   63.050   32.056   48.973   18.013 14.07762 36.76999 
1 1 1   -9  -29    1 f   72.090   26.853   60.954   64.721   60.954   64.721   0.0000   0.0000   72.090   26.853  ?   ?  0.000000 26.85263 
1 1 1   -9  -29    2 o  142.124   15.083  263.652   52.713  175.062   89.897  310.073   65.074  108.545   31.387  153.245   17.308 -44.70032 35.84262 
1 1 1   -9  -29    3 o  116.846   15.985  180.529   45.418   47.530   79.434  245.128   55.360   71.405   28.835  136.152   16.628 -64.74785 33.28550 
1 1 1   -9  -29    4 f   93.326   16.310  116.815   36.627   65.071   72.914  134.279   42.360   73.952   28.288   99.671   17.666 -25.71896 33.35104 
1 1 1   -9  -29    5 o  104.352   16.524  146.279   41.624   31.763   79.610  189.363   48.831   66.968   28.127  118.799   16.940 -51.83163 32.83440 
1 1 1   -9  -29    6 o   68.302   17.577   64.564   30.155   34.116   72.995   70.829   33.112   65.084   27.104   71.312   18.453 -6.227631 32.78965 
1 1 1   -9  -29    7 o  108.604   15.439  158.688   40.693  144.744   80.571  163.462   47.148   95.406   30.186  108.939   17.957 -13.53316 35.12295 
1 1 1   -9  -29    8 o   44.878   16.438   23.334   24.074  -7.3328   68.587   27.643   25.709   54.072   24.307   47.609   17.049 6.462742 29.68981 
1 1 1   -9  -29    9 o   49.782   23.125 -31.1196   69.155 -31.1196   69.155   0.0000   0.0000   49.782   23.125  ?   ?  0.000000 23.12476 
1 1 1   -9  -29   10 o   49.440   17.279   32.162   26.274 -24.1309   76.914   39.599   27.955   52.620   24.424   53.542   17.845 -0.9216805 30.24896 
1 1 1   -9  -29   11 o   58.429   26.163   17.180   78.640   17.180   78.640   0.0000   0.0000   58.429   26.163  ?   ?  0.000000 26.16309 
1 1 1   -9  -29   12 o   62.793   27.469   46.414   81.892   46.414   81.892   0.0000   0.0000   62.793   27.469  ?   ?  0.000000 27.46881 
1 1 1   -9  -29   13 o  143.632   18.365  307.748   64.364  534.182  279.468  295.065   66.142   94.644   44.757  139.154   19.575 -44.50958 48.85040 
1 1 1   -9  -29   14 o   48.275   17.549   32.800   27.366 -236.2894  238.326   36.395   27.548   58.981   29.994   50.045   17.677 8.935764 34.81583 
1 1 1   -9  -29   15 o   49.060   17.967   35.041   28.759 -196.5637  271.370   37.672   28.922   59.991   30.641   50.304   18.076 9.686954 35.57530 
1 1 1   -9  -29   16 o   63.127   32.138   41.646  279.157   41.646  279.157   0.0000   0.0000   63.127   32.138  ?   ?  0.000000 32.13774 
1 1 1   -9  -28    1 o   87.252   16.553  101.309   34.746   27.806   67.710  127.585   40.483   64.305   26.376   97.979   17.172 -33.67414 31.47311 
1 1 1   -9  -28    2 o  155.564   15.771  315.040   60.420  104.553   94.268  461.797   78.714   89.469   32.564  188.069   16.942 -98.60026 36.70768 
1 1 1   -9  -28    3 f   38.108   15.427   8.7417   22.799   4.8963   59.043   9.4156   24.717   55.388   23.776   39.596   16.051 15.79190 28.68719 
1 1 1   -9  -28    4 o   49.804   16.909   30.412   25.100   18.559   63.087   32.641   27.358   59.988   25.108   51.639   17.653 8.349648 30.69261 
1 1 1   -9  -28    5 o  147.238   15.456  283.858   55.980  152.704   92.679  359.195   70.242  101.275   32.410  164.872   17.320 -63.59602 36.74729 
1 1 1   -9  -28    6 o   64.255   17.282   56.152   28.334   83.416   68.120   50.448   31.158   78.682   27.797   61.291   18.673 17.39062 33.48666 
1 1 1   -9  -28    7 o  100.683   18.140  138.117   43.929   0.0000   0.0000  138.117   43.929  ?   ?   100.683   18.140 0.000000 18.13951 
1 1 1   -9  -28    8 o   72.962   17.187   73.416   30.799  103.144   73.851   67.157   33.886   83.805   28.987   69.390   18.999 14.41410 34.65852 
1 1 1   -9  -28    9 o   70.960   17.987   70.517   31.915  -4.6226   74.675   87.310   35.302   57.213   25.566   78.936   18.270 -21.72264 31.42319 
1 1 1   -9  -28   10 o   69.010   19.131   68.019   34.114   0.0000   0.0000   68.019   34.114  ?   ?    69.010   19.131 0.000000 19.13094 
1 1 1   -9  -28   11 o   50.417   23.417 -30.4487   70.876 -30.4487   70.876   0.0000   0.0000   50.417   23.417  ?   ?  0.000000 23.41679 
1 1 1   -9  -28   12 o   68.898   18.499   69.469   32.498  -9.3099   78.893   85.569   35.665   55.208   25.302   76.362   18.823 -21.15477 31.53598 
1 1 1   -9  -28   13 o   39.322   15.694   14.169   23.235   50.266   77.369   10.590   24.360   64.104   27.359   38.373   15.789 25.73137 31.58864 
1 1 1   -9  -28   14 o   84.441   19.319  108.670   39.855   0.0000   0.0000  108.670   39.855  ?   ?    84.441   19.319 0.000000 19.31938 
1 1 1   -9  -28   15 o   51.352   18.593   37.638   30.674   0.0000   0.0000   37.638   30.674  ?   ?    51.352   18.593 0.000000 18.59313 
1 1 1   -9  -28   17 o  110.247   19.242  192.146   51.046  332.775  301.760  188.003   51.792   73.361   36.879  108.264   19.890 -34.90355 41.90065 
1 1 1   -9  -27    1 o   62.823   16.792   52.631   26.849   44.870   58.629   54.691   30.202   66.377   25.372   64.083   18.085 2.293457 31.15749 
1 1 1   -9  -27    2 o   33.178   14.006   1.7832   19.905   2.2400   55.728   1.7164   21.311   53.690   23.075   34.222   14.473 19.46754 27.23797 
1 1 1   -9  -27    3 o  149.777   15.843  291.740   58.357   65.828   90.881  450.244   76.124   79.736   31.285  186.084   16.555 -106.3473 35.39543 
1 1 1   -9  -27    4 o   75.273   27.044   70.064   64.740   70.064   64.740   0.0000   0.0000   75.273   27.044  ?   ?  0.000000 27.04428 
1 1 1   -9  -27    5 o  148.307   15.461  286.427   56.419  133.392   91.203  381.296   71.808   96.857   32.230  170.597   17.086 -73.73966 36.47869 
1 1 1   -9  -27    6 o  147.774   15.176  284.555   55.205  173.817   90.888  349.296   69.494  108.424   31.619  162.877   17.353 -54.45279 36.06808 
1 1 1   -9  -27    7 o  127.163   15.988  213.013   49.647   78.477   87.173  277.600   60.400   80.703   30.916  144.932   17.012 -64.22996 35.28788 
1 1 1   -9  -27    8 o   50.222   17.728   30.012   27.702   0.0000   0.0000   30.012   27.702  ?   ?    50.222   17.728 0.000000 17.72811 
1 1 1   -9  -27    9 o  163.132   18.508  358.350   74.060   0.0000   0.0000  358.350   74.060  ?   ?   163.132   18.508 0.000000 18.50764 
1 1 1   -9  -27   10 o   53.789   24.152 -12.6002   67.507 -12.6002   67.507   0.0000   0.0000   53.789   24.152  ?   ?  0.000000 24.15217 
1 1 1   -9  -27   11 o   25.958   12.081 -15.9346   19.023 -12.0594   70.416 -16.2397   19.757   54.387   24.521   26.518   12.332 27.86921 27.44783 
1 1 1   -9  -27   12 o   56.073   25.031  -0.3414   71.389  -0.3414   71.389   0.0000   0.0000   56.073   25.031  ?   ?  0.000000 25.03089 
1 1 1   -9  -27   13 o   38.361   15.538   11.024   23.142 -27.1882   74.142   15.149   24.359   51.835   24.032   40.800   16.137 11.03413 28.94667 
1 1 1   -9  -27   14 o   49.312   17.310   32.185   26.381   49.514   79.288   30.027   27.975   65.317   27.782   48.629   17.733 16.68790 32.95961 
1 1 1   -9  -27   15 f  112.805   16.908  182.071   46.162   98.620   91.423  210.628   53.480   74.681   30.642  120.088   18.422 -45.40681 35.75320 
1 1 1   -9  -27   16 o   92.243   19.473  129.980   43.447   0.0000   0.0000  129.980   43.447  ?   ?    92.243   19.473 0.000000 19.47294 
1 1 1   -9  -27   17 o   61.750   19.262   59.727   32.925   0.0000   0.0000   59.727   32.925  ?   ?    61.750   19.262 0.000000 19.26175 
1 1 1   -9  -27   18 o   40.490   16.245   17.340   25.037   0.0000   0.0000   17.340   25.037  ?   ?    40.490   16.245 0.000000 16.24529 
1 1 1   -9  -26    1 o  150.131   17.624  294.069   64.815   0.0000   0.0000  294.069   64.815  ?   ?   150.131   17.624 0.000000 17.62360 
1 1 1   -9  -26    2 o  126.626   14.623  207.329   45.390  124.247   75.141  255.063   56.955   94.756   29.023  139.963   16.620 -45.20662 33.44526 
1 1 1   -9  -26    3 o  144.993   14.827  271.527   52.928  154.167   84.356  347.730   67.974  104.315   30.474  163.503   16.892 -59.18740 34.84195 
1 1 1   -9  -26    4 o  229.195   17.413  682.577   98.919  214.317  144.243  1098.31  135.912  119.791   40.535  290.079   18.865 -170.2876 44.71024 
1 1 1   -9  -26    5 o  142.188   24.678  277.235   84.446  277.235   84.446   0.0000   0.0000  142.188   24.678  ?   ?  0.000000 24.67806 
1 1 1   -9  -26    6 o  157.735   15.132  322.457   58.871  195.417   93.928  404.651   75.552  115.769   31.604  175.854   17.434 -60.08514 36.09391 
1 1 1   -9  -26    7 o   97.265   16.995  125.912   39.776  -3.6271   74.631  177.307   47.009   59.794   26.188  115.925   16.722 -56.13058 31.07174 
1 1 1   -9  -26    8 f  109.660   18.187  160.953   48.057   0.0000   0.0000  160.953   48.057  ?   ?   109.660   18.187 0.000000 18.18655 
1 1 1   -9  -26    9 o  113.971   16.221  171.913   44.864  159.812   88.789  176.062   51.989  103.651   31.509  114.274   18.878 -10.62334 36.73141 
1 1 1   -9  -26   10 o   61.429   17.891   50.990   29.116   90.093   73.756   43.772   31.690   81.348   28.904   57.993   18.984 23.35477 34.58117 
1 1 1   -9  -26   11 o   94.227   17.295  120.604   39.196   39.392   78.875  147.236   45.169   68.379   28.300  104.003   18.046 -35.62372 33.56446 
1 1 1   -9  -26   12 o   56.590   17.857   43.040   28.211   29.914   73.369   45.318   30.561   64.071   26.961   58.064   18.614 6.006618 32.76263 
1 1 1   -9  -26   13 o   87.806   31.086  122.104   85.235  122.104   85.235   0.0000   0.0000   87.806   31.086  ?   ?  0.000000 31.08571 
1 1 1   -9  -26   14 o  139.554   16.616  266.774   56.766  118.079  100.793  335.849   68.698   84.963   33.056  155.593   18.014 -70.63046 37.64529 
1 1 1   -9  -26   15 o   88.776   18.206  113.102   39.005   16.474   87.141  137.312   43.619   61.788   27.613   97.828   18.534 -36.03998 33.25618 
1 1 1   -9  -26   16 o  122.588   16.549  211.592   49.366  166.092   99.945  226.274   56.775   91.187   33.478  124.888   18.787 -33.70105 38.38922 
1 1 1   -9  -26   17 o   47.437   17.643   28.746   27.917   0.0000   0.0000   28.746   27.917  ?   ?    47.437   17.643 0.000000 17.64275 
1 1 1   -9  -26   18 o   60.986   19.265   57.295   32.828   0.0000   0.0000   57.295   32.828  ?   ?    60.986   19.265 0.000000 19.26482 
1 1 1   -9  -26   19 o   76.685   20.005   94.043   38.711   0.0000   0.0000   94.043   38.711  ?   ?    76.685   20.005 0.000000 20.00512 
1 1 1   -9  -25    1 o  147.567   13.061  278.394   47.632  318.738   77.202  253.598   60.524  155.547   20.365  139.390   17.794 16.15715 27.04319 
1 1 1   -9  -25    2 o   80.109   18.052   85.803   35.247   0.0000   0.0000   85.803   35.247  ?   ?    80.109   18.052 0.000000 18.05173 
1 1 1   -9  -25    3 o   49.529   16.251   30.357   23.216   48.851   51.114   25.550   26.059   65.774   23.973   47.945   17.165 17.82921 29.48457 
1 1 1   -9  -25    4 o  212.375   16.028  581.496   84.379  330.990  124.801  792.426  114.519  151.476   33.846  246.743   18.726 -95.26721 38.68057 
1 1 1   -9  -25    5 o  124.120   14.815  199.574   45.012  110.761   74.186  251.321   56.627   90.196   29.010  138.865   16.663 -48.66848 33.45510 
1 1 1   -9  -25    6 o   96.511   27.185  130.115   68.313  130.115   68.313   0.0000   0.0000   96.511   27.185  ?   ?  0.000000 27.18510 
1 1 1   -9  -25    7 o   96.268   17.293  123.148   40.044 -40.4020   73.004  193.532   47.892   53.095   24.336  121.629   16.169 -68.53374 29.21772 
1 1 1   -9  -25    8 o   26.072   12.086 -15.5770   18.742 -21.0205   58.625 -14.9574   19.780   49.952   22.462   27.191   12.538 22.76091 25.72395 
1 1 1   -9  -25    9 o  105.873   15.255  147.024   39.167  179.160   75.090  135.013   45.907  112.300   27.089  100.090   19.063 12.21001 33.12428 
1 1 1   -9  -25   10 o   71.100   18.291   68.657   32.661 -21.2252   69.693   93.952   36.972   54.444   24.485   83.241   18.286 -28.79688 30.55998 
1 1 1   -9  -25   11 o  223.673   20.545  671.804  113.470   0.0000   0.0000  671.804  113.470  ?   ?   223.673   20.545 0.000000 20.54451 
1 1 1   -9  -25   12 o   75.865   17.845   78.814   33.241   68.951   75.162   81.213   37.063   75.388   28.748   76.636   19.360 -1.248375 34.65970 
1 1 1   -9  -25   13 o   26.933   12.471 -15.5270   19.880 -88.7207   69.580  -9.0210   20.745   44.031   21.226   29.623   13.337 14.40827 25.06808 
1 1 1   -9  -25   14 o  122.848   17.193  204.954   51.299   71.164   94.233  261.303   61.156   76.996   31.295  138.338   18.140 -61.34205 36.17197 
1 1 1   -9  -25   15 o  157.665   16.520  337.090   64.076  175.075  108.623  423.555   79.353   99.713   35.115  175.274   18.405 -75.56087 39.64574 
1 1 1   -9  -25   16 o   99.107   18.225  139.037   43.442 -21.1133   90.033  187.639   49.598   57.723   26.663  115.814   17.712 -58.09124 32.00993 
1 1 1   -9  -25   17 o  112.093   17.165  177.249   46.518   96.587   97.137  201.253   52.990   77.139   31.610  118.502   18.512 -41.36310 36.63196 
1 1 1   -9  -25   18 o   78.096   19.723   92.303   38.473   0.0000   0.0000   92.303   38.473  ?   ?    78.096   19.723 0.000000 19.72272 
1 1 1   -9  -25   19 o  124.491   19.356  232.292   58.219   0.0000   0.0000  232.292   58.219  ?   ?   124.491   19.356 0.000000 19.35638 
1 1 1   -9  -25   20 o   76.990   20.035   93.708   38.891   0.0000   0.0000   93.708   38.891  ?   ?    76.990   20.035 0.000000 20.03548 
1 1 1   -9  -24    1 f  194.095   14.447  481.483   69.520  385.848  103.784  559.320   93.630  169.565   25.283  207.918   18.217 -38.35336 31.16220 
1 1 1   -9  -24    2 o  119.846   13.857  184.757   40.705  162.714   67.485  197.363   51.034  109.027   25.279  123.028   17.071 -14.00116 30.50327 
1 1 1   -9  -24    3 o   72.340   16.664   69.616   29.482   15.520   56.482   89.873   34.563   57.693   23.919   82.215   17.379 -24.52252 29.56579 
1 1 1   -9  -24    4 o   39.061   15.131   12.736   21.047   11.803   51.566   12.923   23.055   54.566   22.758   40.355   15.779 14.21185 27.69261 
1 1 1   -9  -24    5 o   57.458   17.305   42.952   26.871 -43.8362   54.573   70.728   30.873   44.173   20.527   72.773   17.252 -28.59989 26.81375 
1 1 1   -9  -24    6 o  127.296   14.492  209.247   45.245  147.180   74.566  245.416   56.922  102.619   28.219  137.197   16.977 -34.57832 32.93203 
1 1 1   -9  -24    7 o   80.965   17.284   87.504   33.882   22.733   70.088  107.256   38.705   64.320   26.654   89.670   17.912 -25.35010 32.11300 
1 1 1   -9  -24    8 o   46.296   21.081 -28.2920   53.615 -28.2920   53.615   0.0000   0.0000   46.296   21.081  ?   ?  0.000000 21.08067 
1 1 1   -9  -24    9 o  108.692   16.337  155.253   42.970   20.307   75.640  219.555   52.214   65.392   27.439  129.559   16.514 -64.16756 32.02495 
1 1 1   -9  -24   10 o  181.679   15.050  426.631   67.667  338.474  106.716  485.909   87.508  154.968   28.631  192.387   18.441 -37.41887 34.05554 
1 1 1   -9  -24   11 o  169.282   15.302  371.931   63.985  265.208  103.628  437.691   81.344  134.735   31.383  182.419   18.096 -47.68419 36.22663 
1 1 1   -9  -24   12 o  202.144   19.594  543.561   97.669   0.0000   0.0000  543.561   97.669  ?   ?   202.144   19.594 0.000000 19.59443 
1 1 1   -9  -24   13 o  153.769   15.305  309.410   57.990  243.987   99.397  343.168   71.400  127.459   31.427  160.591   18.121 -33.13223 36.27748 
1 1 1   -9  -24   14 o  187.518   16.484  464.767   76.405  262.954  121.077  598.312   98.492  127.241   36.315  211.165   18.877 -83.92400 40.92805 
1 1 1   -9  -24   15 o   46.032   17.350   22.302   27.176   7.5240   75.371   24.510   29.135   60.337   26.375   47.818   17.976 12.51909 31.91801 
1 1 1   -9  -24   16 o  121.192   32.337  241.263   99.678  241.263   99.678   0.0000   0.0000  121.192   32.337  ?   ?  0.000000 32.33664 
1 1 1   -9  -24   17 o  128.316   16.733  225.702   52.343  110.452   99.067  270.334   61.650   83.612   32.704  139.555   18.118 -55.94282 37.38747 
1 1 1   -9  -24   18 o  117.205   17.493  192.835   49.631   55.521   99.421  238.411   57.278   70.748   30.614  129.987   18.140 -59.23939 35.58430 
1 1 1   -9  -24   19 o  118.049   19.163  203.098   54.555   0.0000   0.0000  203.098   54.555  ?   ?   118.049   19.163 0.000000 19.16344 
1 1 1   -9  -24   20 o   48.875   17.997   31.209   28.914   0.0000   0.0000   31.209   28.914  ?   ?    48.875   17.997 0.000000 17.99717 
1 1 1   -9  -24   21 o   56.886   19.080   48.521   31.957   0.0000   0.0000   48.521   31.957  ?   ?    56.886   19.080 0.000000 19.08045 
1 1 1   -9  -24   22 o   75.509   20.210   91.304   38.860   0.0000   0.0000   91.304   38.860  ?   ?    75.509   20.210 0.000000 20.20967 
1 1 1   -9  -23    1 o  285.607   16.762  1044.51  119.026  874.987  171.613  1201.65  165.226  256.101   27.253  303.787   21.927 -47.68652 34.97894 
1 1 1   -9  -23    2 o  262.197   16.115  879.875  105.003  724.804  152.173  1020.82  145.074  232.958   26.637  280.233   20.881 -47.27548 33.84600 
1 1 1   -9  -23    3 o  102.095   13.987  134.661   34.722  149.092   58.956  126.997   42.965  105.004   23.110   98.006   18.226 6.997986 29.43255 
1 1 1   -9  -23    4 o  299.263   17.816  1153.69  132.538  821.106  190.401  1466.35  184.608  243.987   32.023  334.740   22.211 -90.75328 38.97210 
1 1 1   -9  -23    5 o  198.168   18.970  510.858   92.728   0.0000   0.0000  510.858   92.728  ?   ?   198.168   18.970 0.000000 18.96999 
1 1 1   -9  -23    6 o   56.432   18.173   40.201   29.106   0.0000   0.0000   40.201   29.106  ?   ?    56.432   18.173 0.000000 18.17336 
1 1 1   -9  -23    7 o   63.067   24.500   36.472   55.305   36.472   55.305   0.0000   0.0000   63.067   24.500  ?   ?  0.000000 24.49988 
1 1 1   -9  -23    8 o  143.582   14.014  264.977   49.606  252.643   81.707  272.177   62.429  136.150   24.951  144.351   17.689 -8.200592 30.58540 
1 1 1   -9  -23    9 o  175.734   23.155  413.597   99.139  413.597   99.139   0.0000   0.0000  175.734   23.155  ?   ?  0.000000 23.15490 
1 1 1   -9  -23   10 o  150.557   15.332  293.321   56.840  147.279   91.153  386.238   72.707  102.105   32.082  172.267   17.129 -70.16202 36.36787 
1 1 1   -9  -23   11 o  116.818   15.933  178.487   45.266   73.785   80.425  227.034   54.764   79.710   29.886  131.582   17.069 -51.87213 34.41674 
1 1 1   -9  -23   12 o  142.722   15.242  264.569   53.482  184.623   90.713  307.165   66.215  112.770   31.172  152.931   17.663 -40.16166 35.82838 
1 1 1   -9  -23   13 o   89.841   19.163  109.489   41.680   0.0000   0.0000  109.489   41.680  ?   ?    89.841   19.163 0.000000 19.16272 
1 1 1   -9  -23   14 o  162.852   15.967  347.022   64.100  202.439  107.118  427.677   80.005  115.162   34.520  179.840   18.059 -64.67870 38.95815 
1 1 1   -9  -23   15 o  131.076   16.062  227.041   51.475  122.345   93.066  273.187   61.787   92.119   32.496  143.162   17.657 -51.04247 36.98358 
1 1 1   -9  -23   16 o  234.927   17.605  735.881  102.527  496.930  157.533  911.475  135.043  174.688   37.250  258.056   21.141 -83.36761 42.83103 
1 1 1   -9  -23   17 o   89.969   31.638  125.336   88.148  125.336   88.148   0.0000   0.0000   89.969   31.638  ?   ?  0.000000 31.63758 
1 1 1   -9  -23   18 o  133.695   16.488  242.835   53.879  153.142  101.348  278.171   63.614   94.972   33.867  141.863   18.390 -46.89104 38.53808 
1 1 1   -9  -23   19 o   53.004   17.995   37.623   28.427   62.722   85.238   34.482   30.153   70.983   29.403   51.825   18.474 19.15815 34.72465 
1 1 1   -9  -23   20 o  138.777   17.511  271.438   59.335   83.542  110.276  347.998   70.393   75.529   32.460  156.443   18.368 -80.91451 37.29683 
1 1 1   -9  -23   21 o   69.354   19.841   72.971   36.099   0.0000   0.0000   72.971   36.099  ?   ?    69.354   19.841 0.000000 19.84117 
1 1 1   -9  -23   22 o   36.451   15.560   5.2300   25.033   0.0000   0.0000   5.2300   25.033  ?   ?    36.451   15.560 0.000000 15.56002 
1 1 1   -9  -23   23 o   96.036   20.040  143.408   46.505   0.0000   0.0000  143.408   46.505  ?   ?    96.036   20.040 0.000000 20.03968 
1 1 1   -9  -22    1 o  169.948   20.704  376.405   86.052  376.405   86.052   0.0000   0.0000  169.948   20.704  ?   ?  0.000000 20.70441 
1 1 1   -9  -22    2 o  148.032   13.575  279.570   49.623  236.328   76.058  311.620   65.480  133.050   23.764  155.412   17.158 -22.36153 29.31082 
1 1 1   -9  -22    3 o  180.061   14.409  413.844   64.245  275.504   95.319  529.001   86.966  142.222   27.835  202.788   17.340 -60.56604 32.79475 
1 1 1   -9  -22    4 o  178.641   14.664  407.993   64.840  240.580   96.352  546.555   87.657  131.757   29.962  206.096   17.189 -74.33937 34.54222 
1 1 1   -9  -22    5 o  237.631   20.452  734.874  120.181   0.0000   0.0000  734.874  120.181  ?   ?   237.631   20.452 0.000000 20.45191 
1 1 1   -9  -22    6 o  212.239   19.723  586.225  103.334   0.0000   0.0000  586.225  103.334  ?   ?   212.239   19.723 0.000000 19.72252 
1 1 1   -9  -22    7 o   68.032   16.654   61.560   28.064   66.059   54.250   59.917   32.793   72.852   24.858   67.195   18.803 5.656433 31.16854 
1 1 1   -9  -22    8 o  146.684   14.440  276.473   52.208  191.844   82.767  332.397   67.282  117.309   28.529  160.111   17.092 -42.80218 33.25703 
1 1 1   -9  -22    9 o  136.372   14.488  239.512   48.584  184.546   79.635  272.098   61.317  115.069   27.984  144.551   17.332 -29.48142 32.91637 
1 1 1   -9  -22   10 o  137.514   24.840  257.360   82.159  257.360   82.159   0.0000   0.0000  137.514   24.840  ?   ?  0.000000 24.83952 
1 1 1   -9  -22   11 o  149.727   14.852  289.170   54.797  200.615   88.570  344.087   69.748  118.962   29.860  162.510   17.461 -43.54780 34.59083 
1 1 1   -9  -22   12 o  160.338   15.853  333.095   62.643  140.305   99.814  458.380   80.463  100.444   33.721  187.686   17.365 -87.24209 37.92916 
1 1 1   -9  -22   13 o  157.043   16.153  320.641   62.442  116.040  101.209  446.380   79.342   93.823   33.803  185.004   17.378 -91.18134 38.00829 
1 1 1   -9  -22   14 o   37.277   15.545   4.6142   24.054 -59.4436   71.911   12.684   25.524   49.678   23.243   41.515   16.487 8.163368 28.49652 
1 1 1   -9  -22   15 o  117.394   16.391  181.714   46.741   88.030   89.495  216.853   54.811   84.130   31.529  127.927   17.625 -43.79741 36.12135 
1 1 1   -9  -22   16 o  111.118   16.777  164.261   45.104   80.322   88.646  193.583   52.393   81.323   31.171  120.282   17.996 -38.95885 35.99298 
1 1 1   -9  -22   17 o  221.142   18.220  652.303   99.723  289.627  153.027  920.012  131.474  129.050   41.682  260.854   20.344 -131.8033 46.38196 
1 1 1   -9  -22   18 o  101.502   32.362  163.499   92.472  163.499   92.472   0.0000   0.0000  101.502   32.362  ?   ?  0.000000 32.36201 
1 1 1   -9  -22   19 o   65.995   18.327   61.054   31.280  108.700   82.570   53.071   33.799   84.406   30.514   61.943   19.546 22.46267 36.23722 
1 1 1   -9  -22   20 o   82.959   18.644   98.085   37.684   19.388   88.943  115.303   41.602   64.123   28.318   89.853   19.128 -25.73015 34.17307 
1 1 1   -9  -22   21 o   37.821   15.745   7.8363   24.616   88.932   86.717   0.7287   25.673   75.883   30.308   35.879   15.541 40.00393 34.06049 
1 1 1   -9  -22   22 o   66.966   19.815   67.231   35.464   0.0000   0.0000   67.231   35.464  ?   ?    66.966   19.815 0.000000 19.81482 
1 1 1   -9  -22   23 o   88.854   20.181  120.623   43.759   0.0000   0.0000  120.623   43.759  ?   ?    88.854   20.181 0.000000 20.18142 
1 1 1   -9  -22   24 o   41.230   16.834   15.205   27.421   0.0000   0.0000   15.205   27.421  ?   ?    41.230   16.834 0.000000 16.83358 
1 1 1   -9  -21    1 o   52.935   16.391   35.461   23.892   36.263   45.292   35.152   28.124   60.183   22.454   53.872   17.896 6.310810 28.71363 
1 1 1   -9  -21    2 o  341.088   18.165  1487.34  154.164  1303.21  219.818  1665.57  216.267  313.988   28.340  357.744   24.353 -43.75586 37.36667 
1 1 1   -9  -21    3 o  317.947   17.108  1291.04  135.329  1257.75  193.662  1322.80  189.186  309.785   25.254  318.480   23.964 -8.694702 34.81400 
1 1 1   -9  -21    4 o  241.839   15.770  746.458   94.719  509.066  136.853  964.738  131.229  194.275   29.105  273.640   19.329 -79.36523 34.93854 
1 1 1   -9  -21    5 o  291.641   16.713  1088.06  121.211  984.753  175.182  1182.95  167.886  272.782   26.033  301.273   22.477 -28.49139 34.39405 
1 1 1   -9  -21    6 o  223.545   14.602  637.219   81.064  620.360  120.043  651.352  109.910  217.531   22.420  224.079   19.847 -6.548523 29.94275 
1 1 1   -9  -21    7 o  113.603   17.830  169.088   48.916   0.0000   0.0000  169.088   48.916  ?   ?   113.603   17.830 0.000000 17.83015 
1 1 1   -9  -21    8 o  152.986   14.601  300.241   55.102  184.912   85.775  381.278   71.900  115.192   29.645  171.811   16.981 -56.61864 34.16396 
1 1 1   -9  -21    9 o  127.212   13.785  207.839   43.091  229.736   72.201  195.724   53.704  130.882   22.926  122.168   18.156 8.713562 29.24451 
1 1 1   -9  -21   10 o  141.744   13.965  257.820   48.790  255.374   80.644  259.233   61.277  137.462   24.386  140.974   17.803 -3.512665 30.19342 
1 1 1   -9  -21   11 o  238.988   23.560  758.115  138.778  758.115  138.778   0.0000   0.0000  238.988   23.560  ?   ?  0.000000 23.56031 
1 1 1   -9  -21   12 o   56.397   18.047   40.398   28.737 -15.5664   62.315   55.514   32.386   53.050   23.552   64.785   18.869 -11.73486 30.17856 
1 1 1   -9  -21   13 f  108.191   16.416  153.489   42.959   55.718   78.365  195.493   51.365   74.908   29.146  122.062   17.339 -47.15311 33.91339 
1 1 1   -9  -21   14 o  132.683   15.369  228.520   49.980  159.626   87.161  262.270   61.006  105.830   30.993  141.446   17.656 -35.61594 35.66973 
1 1 1   -9  -21   15 o   75.594   18.642   77.214   34.970 -30.3085   74.438  107.664   39.613   55.261   25.036   89.539   18.333 -34.27804 31.03109 
1 1 1   -9  -21   16 o   80.112   19.670   87.470   39.062   0.0000   0.0000   87.470   39.062  ?   ?    80.112   19.670 0.000000 19.66988 
1 1 1   -9  -21   17 o   42.526   16.830   14.054   26.511   71.642   74.672   5.7478   28.359   76.981   28.810   40.346   16.856 36.63557 33.37875 
1 1 1   -9  -21   18 o  173.557   16.524  397.122   70.752  202.986  116.151  511.650   89.213  113.163   36.290  195.948   18.449 -82.78542 40.71016 
1 1 1   -9  -21   19 o  122.333   17.453  201.733   51.807   52.958   94.823  265.039   61.854   74.726   30.987  140.118   18.101 -65.39196 35.88648 
1 1 1   -9  -21   20 o  105.817   17.999  153.977   45.857  -2.7519   91.769  206.137   52.941   62.938   28.217  122.886   17.768 -59.94809 33.34495 
1 1 1   -9  -21   21 o   68.067   19.119   66.003   33.838 -30.0252   86.948   83.144   36.734   56.538   26.146   76.222   19.284 -19.68430 32.48822 
1 1 1   -9  -21   22 o  154.426   18.103  333.804   68.485   64.486  121.059  460.563   83.053   75.441   33.189  181.038   18.637 -105.5971 38.06429 
1 1 1   -9  -21   23 o  173.494   20.112  438.746   85.517   0.0000   0.0000  438.746   85.517  ?   ?   173.494   20.112 0.000000 20.11171 
1 1 1   -9  -21   24 o   51.518   18.560   35.877   30.509   0.0000   0.0000   35.877   30.509  ?   ?    51.518   18.560 0.000000 18.55954 
1 1 1   -9  -21   25 o   40.007   16.623   11.685   27.365   0.0000   0.0000   11.685   27.365  ?   ?    40.007   16.623 0.000000 16.62292 
1 1 1   -9  -20    1 o  235.494   15.200  703.180   88.909  525.601  128.351  866.991  123.275  200.232   26.306  260.507   19.083 -60.27509 32.49848 
1 1 1   -9  -20    2 o   97.002   14.142  121.157   33.249  116.908   53.755  123.790   42.314   93.619   23.128   97.229   18.093 -3.609459 29.36471 
1 1 1   -9  -20    3 o  118.535   13.561  179.546   39.419  155.181   61.146  196.874   51.566  107.820   23.383  123.384   17.204 -15.56406 29.03025 
1 1 1   -9  -20    5 o  129.701   21.617  221.914   67.549  221.914   67.549   0.0000   0.0000  129.701   21.617  ?   ?  0.000000 21.61662 
1 1 1   -9  -20    6 o  235.362   14.789  705.237   86.480  665.996  126.190  739.987  118.751  225.781   22.688  239.218   20.064 -13.43767 30.28763 
1 1 1   -9  -20    7 o  220.228   15.079  618.808   82.430  452.185  120.015  767.605  113.413  183.655   26.972  244.029   18.755 -60.37402 32.85179 
1 1 1   -9  -20    8 o  225.098   20.000  657.556  111.253   0.0000   0.0000  657.556  111.253  ?   ?   225.098   20.000 0.000000 20.00020 
1 1 1   -9  -20    9 o   83.872   15.519   92.300   31.307  115.312   57.208   82.462   37.405   92.164   24.453   78.540   19.227 13.62330 31.10650 
1 1 1   -9  -20   10 o  151.520   14.358  294.294   53.677  198.131   82.860  363.828   70.460  119.675   28.190  167.776   17.055 -48.10081 32.94785 
1 1 1   -9  -20   11 o  231.783   15.120  687.480   87.037  643.153  129.643  723.854  117.438  220.175   23.966  235.690   20.147 -15.51500 31.30954 
1 1 1   -9  -20   12 o  135.915   14.189  237.430   47.448  233.194   78.786  239.840   59.436  130.990   24.998  135.457   18.018 -4.467117 30.81432 
1 1 1   -9  -20   13 f  110.215   26.941  168.438   73.525  168.438   73.525   0.0000   0.0000  110.215   26.941  ?   ?  0.000000 26.94097 
1 1 1   -9  -20   14 o  143.727   15.190  266.799   53.694  153.015   87.365  335.868   68.067  104.307   31.155  160.725   17.228 -56.41814 35.60056 
1 1 1   -9  -20   15 o  100.661   16.323  133.226   39.626   98.546   74.175  147.076   46.876   86.303   29.069  105.185   18.523 -18.88193 34.46841 
1 1 1   -9  -20   16 o  125.260   15.576  204.271   47.671  144.537   84.962  231.716   57.590  101.042   30.846  132.732   17.825 -31.68957 35.62656 
1 1 1   -9  -20   17 o   60.269   19.524   46.678   33.556   0.0000   0.0000   46.678   33.556  ?   ?    60.269   19.524 0.000000 19.52417 
1 1 1   -9  -20   18 o  249.014   17.300  810.741  106.907  614.396  162.567  960.355  141.908  205.134   32.843  268.015   21.381 -62.88115 39.18974 
1 1 1   -9  -20   19 o   66.069   19.224   59.231   33.629 -65.4935   79.470   86.438   37.117   51.482   24.197   79.397   18.978 -27.91542 30.75192 
1 1 1   -9  -20   20 o  153.949   16.221  313.880   61.420  184.775  107.098  377.151   74.974  107.781   34.877  167.701   18.195 -59.92043 39.33728 
1 1 1   -9  -20   21 o   94.475   32.739  140.514   94.230  140.514   94.230   0.0000   0.0000   94.475   32.739  ?   ?  0.000000 32.73943 
1 1 1   -9  -20   22 o   62.792   18.662   55.178   31.406   63.183   86.826   53.973   33.687   73.134   29.918   62.243   19.494 10.89116 35.70839 
1 1 1   -9  -20   23 o   87.211   18.147  107.974   38.234  145.595   95.746  100.837   41.703   91.268   32.879   83.059   20.282 8.208496 38.63110 
1 1 1   -9  -20   24 o   65.706   20.010   63.663   35.784   0.0000   0.0000   63.663   35.784  ?   ?    65.706   20.010 0.000000 20.00985 
1 1 1   -9  -20   25 o   66.039   19.999   65.705   35.817   0.0000   0.0000   65.705   35.817  ?   ?    66.039   19.999 0.000000 19.99868 
1 1 1   -9  -20   26 o   68.329   20.351   72.258   37.318   0.0000   0.0000   72.258   37.318  ?   ?    68.329   20.351 0.000000 20.35078 
1 1 1   -9  -19    1 o  374.413   18.856  1779.69  175.733  1747.64  250.956  1810.53  246.162  367.614   27.537  374.685   26.479 -7.070404 38.20296 
1 1 1   -9  -19    2 o  393.391   19.654  1965.12  193.072  1811.30  274.644  2115.41  271.474  372.635   29.763  404.339   27.042 -31.70435 40.21331 
1 1 1   -9  -19    3 o  252.599   20.923  818.681  130.792   0.0000   0.0000  818.681  130.792  ?   ?   252.599   20.923 0.000000 20.92301 
1 1 1   -9  -19    4 o  252.994   22.069  825.438  138.031  825.438  138.031   0.0000   0.0000  252.994   22.069  ?   ?  0.000000 22.06921 
1 1 1   -9  -19    5 o  136.796   20.984  244.667   69.394  244.667   69.394   0.0000   0.0000  136.796   20.984  ?   ?  0.000000 20.98390 
1 1 1   -9  -19    6 o  120.201   13.126  184.448   38.760  234.157   62.377  153.182   49.471  134.145   19.166  108.048   19.030 26.09779 27.00874 
1 1 1   -9  -19    7 o  146.960   13.403  275.125   48.645  254.159   74.391  290.786   64.295  138.811   22.210  150.109   17.480 -11.29727 28.26310 
1 1 1   -9  -19    8 o  215.604   14.305  591.482   76.583  574.884  113.156  605.511  104.028  209.937   21.907  216.468   19.452 -6.530731 29.29676 
1 1 1   -9  -19    9 o  320.651   17.247  1316.49  137.591  1303.47  198.372  1328.57  191.003  314.509   25.477  318.342   24.208 -3.832092 35.14405 
1 1 1   -9  -19   10 o  203.702   19.230  537.765   96.663   0.0000   0.0000  537.765   96.663  ?   ?   203.702   19.230 0.000000 19.23018 
1 1 1   -9  -19   11 o  216.361   14.693  597.679   78.917  546.974  117.221  639.712  106.728  203.473   23.502  222.082   19.441 -18.60930 30.50078 
1 1 1   -9  -19   12 o  176.759   14.220  399.432   62.235  360.482   95.923  427.747   81.786  164.321   24.092  181.614   18.282 -17.29253 30.24331 
1 1 1   -9  -19   13 o  201.903   14.842  521.801   74.309  445.122  112.458  581.226   99.001  182.098   25.424  211.568   18.939 -29.47047 31.70289 
1 1 1   -9  -19   14 o   51.060   22.442  -9.8748   55.230  -9.8748   55.230   0.0000   0.0000   51.060   22.442  ?   ?  0.000000 22.44151 
1 1 1   -9  -19   15 o  141.862   15.051  259.600   52.504  170.745   86.508  311.418   66.062  110.093   30.444  154.733   17.399 -44.63993 35.06520 
1 1 1   -9  -19   16 o  125.701   15.194  204.768   46.726  178.246   82.782  217.169   56.605  112.468   29.213  128.550   18.137 -16.08237 34.38550 
1 1 1   -9  -19   17 o  255.598   16.632  844.165  105.579  723.955  158.563  939.909  141.510  229.496   28.265  266.875   21.414 -37.37901 35.46127 
1 1 1   -9  -19   18 o  173.475   18.951  396.128   80.760   0.0000   0.0000  396.128   80.760  ?   ?   173.475   18.951 0.000000 18.95099 
1 1 1   -9  -19   19 o   90.945   17.688  110.918   38.723  127.854   84.171  106.371   43.613   95.067   30.931   88.267   20.220 6.800171 36.95362 
1 1 1   -9  -19   20 o   42.798   16.901   14.533   26.684   40.429   78.390   11.139   28.379   69.784   28.473   42.346   17.188 27.43807 33.25871 
1 1 1   -9  -19   21 o   36.518   15.593   1.2616   25.150   39.418   80.355  -2.8822   26.481   69.271   28.609   36.007   15.689 33.26411 32.62816 
1 1 1   -9  -19   22 o   82.127   31.425   91.712   90.002   91.712   90.002   0.0000   0.0000   82.127   31.425  ?   ?  0.000000 31.42529 
1 1 1   -9  -19   23 o   81.880   18.792   94.426   37.610   30.392   93.429  106.810   41.086   68.403   29.638   86.902   19.421 -18.49917 35.43420 
1 1 1   -9  -19   24 o   90.993   19.484  118.741   42.937 -86.2171  100.721  164.260   47.466   53.836   25.845  108.259   18.204 -54.42330 31.61263 
1 1 1   -9  -19   25 o  177.760   20.177  455.499   87.980   0.0000   0.0000  455.499   87.980  ?   ?   177.760   20.177 0.000000 20.17720 
1 1 1   -9  -19   26 o   99.878   20.079  148.308   48.344   0.0000   0.0000  148.308   48.344  ?   ?    99.878   20.079 0.000000 20.07922 
1 1 1   -9  -19   27 o   99.497   20.180  149.683   48.425   0.0000   0.0000  149.683   48.425  ?   ?    99.497   20.180 0.000000 20.18008 
1 1 1   -9  -19   28 o   47.300   18.114   27.854   29.920   0.0000   0.0000   27.854   29.920  ?   ?    47.300   18.114 0.000000 18.11432 
1 1 1   -9  -18    1 o  131.186   17.839  220.979   56.925   0.0000   0.0000  220.979   56.925  ?   ?   131.186   17.839 0.000000 17.83925 
1 1 1   -9  -18    2 o  239.233   14.049  722.071   83.562  837.300  123.134  623.701  113.770  256.543   19.363  220.848   20.877 35.69556 28.47409 
1 1 1   -9  -18    3 o  169.719   13.233  364.267   55.639  378.067   82.432  352.719   75.407  171.664   19.580  165.979   18.508 5.685226 26.94294 
1 1 1   -9  -18    4 f  210.896   13.971  562.421   73.159  543.313  106.639  579.411  100.554  205.623   21.065  212.925   19.115 -7.302673 28.44522 
1 1 1   -9  -18    5 o  339.235   17.283  1461.07  145.924  1548.64  209.174  1378.05  203.671  346.516   24.327  326.408   25.182 20.10840 35.01353 
1 1 1   -9  -18    6 o  222.753   21.062  639.309  115.771  639.309  115.771   0.0000   0.0000  222.753   21.062  ?   ?  0.000000 21.06248 
1 1 1   -9  -18    7 o  263.099   15.034  878.420   98.362  926.194  142.632  835.097  135.827  267.977   21.495  254.341   21.589 13.63588 30.46542 
1 1 1   -9  -18    8 o  201.361   14.075  515.045   70.330  469.314  103.443  554.358   95.908  189.733   22.255  207.625   18.699 -17.89171 29.06778 
1 1 1   -9  -18    9 o  313.531   16.420  1253.34  128.110  1366.53  185.462  1150.04  177.172  324.227   23.057  296.757   24.117 27.47003 33.36501 
1 1 1   -9  -18   10 o  209.336   14.748  558.456   76.601  441.639  112.590  659.127  104.520  182.321   25.421  226.186   18.672 -43.86456 31.54125 
1 1 1   -9  -18   11 o   59.738   18.993   45.174   31.869   0.0000   0.0000   45.174   31.869  ?   ?    59.738   18.993 0.000000 18.99311 
1 1 1   -9  -18   12 o  339.787   18.335  1484.66  155.000  1378.55  222.995  1583.84  215.599  321.205   28.083  346.694   25.072 -25.48825 37.64680 
1 1 1   -9  -18   13 o  114.072   14.554  167.895   40.514  171.797   68.548  165.800   50.225  112.342   25.070  112.255   18.566 0.8731842E-01 31.19635 
1 1 1   -9  -18   14 o  209.019   14.775  558.549   76.620  518.183  116.119  589.677  101.970  197.546   24.034  213.044   19.379 -15.49785 30.87347 
1 1 1   -9  -18   15 o  197.118   22.899  514.075  110.616  514.075  110.616   0.0000   0.0000  197.118   22.899  ?   ?  0.000000 22.89866 
1 1 1   -9  -18   16 f  117.783   15.696  180.165   45.016   79.672   76.713  232.944   55.595   81.472   29.418  133.764   17.030 -52.29192 33.99176 
1 1 1   -9  -18   17 o  113.008   15.381  166.019   42.278  216.934   80.106  146.361   49.775  125.449   26.406  104.679   19.766 20.76978 32.98484 
1 1 1   -9  -18   18 o  190.071   15.131  464.861   71.224  425.794  114.422  489.573   91.005  176.449   26.812  193.437   19.089 -16.98785 32.91285 
1 1 1   -9  -18   19 o  176.073   18.942  407.247   81.977   0.0000   0.0000  407.247   81.977  ?   ?   176.073   18.942 0.000000 18.94231 
1 1 1   -9  -18   20 o   43.177   17.151   13.835   27.627 -36.5443   75.596   21.601   29.680   54.619   24.933   47.478   18.075 7.140739 30.79506 
1 1 1   -9  -18   21 o   67.965   19.057   62.618   33.649   80.411   81.751   58.989   36.922   80.716   30.157   66.362   20.348 14.35462 36.37958 
1 1 1   -9  -18   22 o   42.900   17.077   14.103   27.445   11.609   82.059   14.418   29.123   64.297   27.817   43.904   17.554 20.39322 32.89276 
1 1 1   -9  -18   23 o   57.010   25.968 -25.5457   81.438 -25.5457   81.438   0.0000   0.0000   57.010   25.968  ?   ?  0.000000 25.96759 
1 1 1   -9  -18   24 o   48.763   17.988   27.253   28.902  110.396   89.837   17.655   30.525   85.568   31.683   45.353   18.024 40.21486 36.45131 
1 1 1   -9  -18   25 f   75.397   18.549   80.951   34.684  221.888   98.979   61.223   37.032  113.470   32.970   65.521   20.426 47.94919 38.78432 
1 1 1   -9  -18   26 o   43.436   17.202   17.687   27.717 -113.3839   98.146   29.046   28.893   49.941   24.337   48.828   17.989 1.113049 30.26424 
1 1 1   -9  -18   27 o   56.185   19.248   44.284   32.526   0.0000   0.0000   44.284   32.526  ?   ?    56.185   19.248 0.000000 19.24763 
1 1 1   -9  -18   28 o   58.251   19.883   49.436   34.708   0.0000   0.0000   49.436   34.708  ?   ?    58.251   19.883 0.000000 19.88303 
1 1 1   -9  -18   29 o   41.699   17.152   14.560   28.734   0.0000   0.0000   14.560   28.734  ?   ?    41.699   17.152 0.000000 17.15192 
1 1 1   -9  -17    1 o  216.475   14.405  590.932   77.423  473.149  111.820  699.395  107.305  191.794   23.863  234.897   18.441 -43.10316 30.15853 
1 1 1   -9  -17    2 f  400.466   19.474  2024.59  194.747  2057.74  277.980  1992.64  272.917  400.501   27.970  394.108   27.911 6.393066 39.51430 
1 1 1   -9  -17    3 o  332.242   24.576  1412.08  202.455   0.0000   0.0000  1412.08  202.455  ?   ?   332.242   24.576 0.000000 24.57626 
1 1 1   -9  -17    4 o  382.416   18.999  1849.23  181.431  1815.47  258.553  1881.97  254.655  375.292   27.786  382.541   26.827 -7.248718 38.62352 
1 1 1   -9  -17    5 o  184.725   13.319  431.195   61.029  449.915   89.953  415.229   83.072  187.471   19.500  180.198   18.735 7.273102 27.04162 
1 1 1   -9  -17    6 o   48.446   16.389   27.585   23.581   32.499   42.173   25.350   28.442   57.877   21.653   49.271   17.894 8.605320 28.08995 
1 1 1   -9  -17    7 f  233.357   21.332  700.369  122.932  700.369  122.932   0.0000   0.0000  233.357   21.332  ?   ?  0.000000 21.33156 
1 1 1   -9  -17    8 o  137.167   13.281  239.314   44.921  246.576   68.847  233.931   59.278  137.524   20.688  134.547   18.102 2.976868 27.48962 
1 1 1   -9  -17    9 o   80.707   15.670   85.242   30.442  114.639   52.226   70.113   37.465   92.610   22.748   72.904   19.984 19.70570 30.27876 
1 1 1   -9  -17   10 o  366.142   17.925  1708.92  163.896  1893.71  235.938  1536.60  227.843  381.087   24.930  341.928   26.901 39.15848 36.67672 
1 1 1   -9  -17   11 f  294.683   16.350  1107.70  119.842  1109.07  173.413  1106.46  165.806  291.332   24.052  291.558   22.959 -0.2262878 33.25049 
1 1 1   -9  -17   12 o  190.004   18.856  466.753   88.287   0.0000   0.0000  466.753   88.287  ?   ?   190.004   18.856 0.000000 18.85642 
1 1 1   -9  -17   13 o  247.380   14.714  779.573   90.484  864.076  134.400  709.520  122.371  257.885   21.054  233.464   21.222 24.42137 29.89336 
1 1 1   -9  -17   14 o  351.311   18.628  1588.62  162.839  1530.37  234.747  1642.65  226.077  338.491   28.024  352.433   25.869 -13.94196 38.13814 
1 1 1   -9  -17   15 o  119.975   14.712  185.590   43.154  162.972   72.541  197.979   53.687  108.918   26.843  123.055   18.004 -14.13663 32.32182 
1 1 1   -9  -17   16 o   83.850   27.240   92.095   65.291   92.095   65.291   0.0000   0.0000   83.850   27.240  ?   ?  0.000000 27.23981 
1 1 1   -9  -17   17 o  145.968   14.715  273.909   52.907  243.075   87.727  291.535   66.326  132.951   27.337  149.564   18.129 -16.61343 32.80164 
1 1 1   -9  -17   18 o  117.973   15.527  180.667   44.633  180.189   81.464  180.872   53.353  113.552   28.712  117.013   18.903 -3.460686 34.37593 
1 1 1   -9  -17   19 o  166.161   15.378  355.933   63.084  275.294  104.312  402.434   79.211  139.548   30.762  175.651   18.329 -36.10265 35.80816 
1 1 1   -9  -17   20 o  158.404   15.574  324.615   60.809  263.516  106.606  354.082   74.035  135.359   32.037  164.430   18.343 -29.07069 36.91638 
1 1 1   -9  -17   21 o  212.119   16.073  582.853   84.504  503.695  136.056  632.568  107.823  189.118   29.796  218.953   19.939 -29.83511 35.85149 
1 1 1   -9  -17   22 o  120.316   16.291  190.568   47.687  185.872   94.793  192.159   55.177  112.035   32.182  119.723   19.097 -7.687614 37.42191 
1 1 1   -9  -17   23 o  179.764   16.459  424.957   73.063  285.571  123.849  499.362   90.486  134.515   36.111  193.422   18.978 -58.90692 40.79462 
1 1 1   -9  -17   24 o   89.654   32.450  117.505   93.421  117.505   93.421   0.0000   0.0000   89.654   32.450  ?   ?  0.000000 32.45009 
1 1 1   -9  -17   25 o  145.641   17.552  287.514   62.549   74.491  114.949  377.121   74.552   80.784   33.858  166.521   18.226 -85.73753 38.45152 
1 1 1   -9  -17   26 o  138.735   16.884  262.737   57.289  183.570  116.263  288.123   65.837  100.831   36.240  143.982   18.756 -43.15111 40.80640 
1 1 1   -9  -17   27 o   70.097   20.291   72.061   37.555   0.0000   0.0000   72.061   37.555  ?   ?    70.097   20.291 0.000000 20.29145 
1 1 1   -9  -17   29 o   70.181   20.409   74.991   37.914   0.0000   0.0000   74.991   37.914  ?   ?    70.181   20.409 0.000000 20.40926 
1 1 1   -9  -17   30 o   51.324   18.803   35.715   31.504   0.0000   0.0000   35.715   31.504  ?   ?    51.324   18.803 0.000000 18.80311 
1 1 1   -9  -16    1 o  720.386   46.885  6820.35  838.839   0.0000   0.0000  6820.35  838.839  ?   ?   720.386   46.885 0.000000 46.88504 
1 1 1   -9  -16    2 o  393.278   27.849  1976.51  271.729  1976.51  271.729   0.0000   0.0000  393.278   27.849  ?   ?  0.000000 27.84857 
1 1 1   -9  -16    3 o  453.097   21.036  2593.16  238.010  2784.76  338.783  2406.42  334.453  466.190   29.249  432.480   31.177 33.70972 42.74978 
1 1 1   -9  -16    4 o   84.241   19.047   93.043   39.128   0.0000   0.0000   93.043   39.128  ?   ?    84.241   19.047 0.000000 19.04688 
1 1 1   -9  -16    5 o  288.915   15.567  1053.29  111.899  1137.89  161.232  974.667  155.426  298.872   21.752  276.229   22.734 22.64270 31.46419 
1 1 1   -9  -16    6 o  187.159   13.090  442.150   60.793  509.289   90.227  386.330   82.270  199.971   18.270  173.726   19.290 26.24541 26.56855 
1 1 1   -9  -16    7 o  155.520   12.932  306.065   49.768  356.581   75.931  268.019   65.895  166.866   18.535  144.350   18.721 22.51672 26.34482 
1 1 1   -9  -16    8 o  159.091   20.386  326.862   79.127  326.862   79.127   0.0000   0.0000  159.091   20.386  ?   ?  0.000000 20.38626 
1 1 1   -9  -16    9 o  171.330   13.137  371.822   55.778  430.928   83.493  324.180   74.960  183.316   18.492  158.534   19.335 24.78203 26.75416 
1 1 1   -9  -16   10 o  144.813   13.483  266.736   48.198  257.354   73.948  273.664   63.552  140.170   21.838  145.720   17.837 -5.549377 28.19653 
1 1 1   -9  -16   11 o  221.361   14.343  622.105   78.856  627.187  116.172  617.763  107.385  220.070   21.410  218.943   19.857 1.127457 29.20093 
1 1 1   -9  -16   12 o  319.570   17.189  1303.88  136.667  1292.50  196.833  1314.48  189.906  314.185   25.302  317.517   24.131 -3.332092 34.96472 
1 1 1   -9  -16   13 o   75.684   19.626   76.189   37.403   0.0000   0.0000   76.189   37.403  ?   ?    75.684   19.626 0.000000 19.62562 
1 1 1   -9  -16   14 o  253.791   15.680  822.008   98.890  748.962  144.723  885.983  135.440  238.434   24.663  261.360   20.927 -22.92564 32.34512 
1 1 1   -9  -16   15 o   75.875   17.152   76.349   31.734   87.683   59.486   71.840   37.519   81.874   25.940   73.483   19.939 8.391258 32.71770 
1 1 1   -9  -16   16 o  198.735   14.686  504.448   72.366  450.389  109.617  546.208   96.344  184.098   24.449  205.334   19.005 -21.23683 30.96656 
1 1 1   -9  -16   17 o  123.835   26.091  209.172   78.136  209.172   78.136   0.0000   0.0000  123.835   26.091  ?   ?  0.000000 26.09052 
1 1 1   -9  -16   18 o  146.912   14.651  277.191   53.031  272.096   87.902  280.107   66.496  141.626   25.805  146.479   18.598 -4.853348 31.80874 
1 1 1   -9  -16   19 o  115.669   15.728  173.826   44.253  167.691   81.511  176.390   52.696  109.596   29.241  115.580   18.912 -5.983543 34.82404 
1 1 1   -9  -16   20 o  144.762   15.101  270.301   53.786  290.210   94.688  260.816   65.353  145.322   27.089  140.856   19.070 4.466217 33.12836 
1 1 1   -9  -16   21 o  101.601   16.963  136.116   41.520  189.150   87.623  120.760   47.149  115.432   30.090   94.534   20.558 20.89798 36.44251 
1 1 1   -9  -16   22 o   86.739   20.257  102.218   43.082   0.0000   0.0000  102.218   43.082  ?   ?    86.739   20.257 0.000000 20.25657 
1 1 1   -9  -16   23 o  125.813   16.262  207.839   49.896  192.353   98.099  213.243   57.951  113.961   32.739  126.404   18.943 -12.44248 37.82452 
1 1 1   -9  -16   24 o   53.337   18.878   33.869   31.433 -43.1977   87.023   45.433   33.709   57.330   26.385   59.315   19.587 -1.984406 32.86102 
1 1 1   -9  -16   25 o  114.906   34.082  209.922  104.828  209.922  104.828   0.0000   0.0000  114.906   34.082  ?   ?  0.000000 34.08244 
1 1 1   -9  -16   26 o  116.259   17.214  183.437   48.464  186.362  106.527  182.673   54.423  105.825   34.815  114.649   19.720 -8.824493 40.01160 
1 1 1   -9  -16   27 o  109.647   18.227  167.124   48.154   99.179  112.668  182.309   53.264   83.209   34.064  113.861   19.430 -30.65210 39.21624 
1 1 1   -9  -16   28 o   98.544   18.590  138.006   44.070  155.953  115.578  134.952   47.672   92.195   35.528   96.225   20.468 -4.029640 41.00278 
1 1 1   -9  -16   29 f   82.814   20.462  102.298   42.069   0.0000   0.0000  102.298   42.069  ?   ?    82.814   20.462 0.000000 20.46156 
1 1 1   -9  -16   30 o   47.223   18.157   25.758   30.135   0.0000   0.0000   25.758   30.135  ?   ?    47.223   18.157 0.000000 18.15676 
1 1 1   -9  -16   31 o   75.612   20.784   89.039   40.460   0.0000   0.0000   89.039   40.460  ?   ?    75.612   20.784 0.000000 20.78429 
1 1 1   -9  -15    1 o  103.547   14.270  136.895   35.920  121.966   53.747  148.945   48.287   96.458   22.693  107.343   18.693 -10.88475 29.40045 
1 1 1   -9  -15    2 o  495.479   22.856  3097.52  282.796  3187.50  401.288  3008.75  398.593  499.039   32.376  484.501   33.144 14.53705 46.33254 
1 1 1   -9  -15    3 o  247.578   14.808  771.692   91.133  716.282  130.502  824.433  127.319  237.221   22.291  255.060   20.154 -17.83879 30.05118 
1 1 1   -9  -15    4 o  415.512   19.571  2175.46  203.071  2363.65  289.382  1992.88  285.039  430.533   27.054  394.513   29.139 36.02011 39.76176 
1 1 1   -9  -15    5 o  316.094   23.652  1272.72  185.342   0.0000   0.0000  1272.72  185.342  ?   ?   316.094   23.652 0.000000 23.65195 
1 1 1   -9  -15    6 o  509.509   23.576  3294.24  299.970  3351.32  425.871  3238.04  422.589  508.653   33.719  499.763   34.064 8.889954 47.93079 
1 1 1   -9  -15    7 o  114.016   13.446  165.501   37.546  211.522   59.546  135.129   48.373  128.015   19.221  101.696   19.760 26.31871 27.56614 
1 1 1   -9  -15    8 o  157.751   12.773  314.605   49.886  398.688   76.112  251.277   66.053  176.865   17.461  139.596   19.479 37.26953 26.15929 
1 1 1   -9  -15    9 o  157.847   13.209  315.520   51.589  337.923   77.823  297.958   68.904  162.082   19.628  152.319   18.494 9.762863 26.96827 
1 1 1   -9  -15   10 o  271.187   22.783  946.989  152.855  946.989  152.855   0.0000   0.0000  271.187   22.783  ?   ?  0.000000 22.78260 
1 1 1   -9  -15   11 o  234.020   14.588  694.141   84.825  707.734  124.089  682.218  116.219  234.316   21.445  230.359   20.415 3.957092 29.60825 
1 1 1   -9  -15   12 o  271.543   15.361  936.353  103.734  1003.79  151.140  876.289  142.634  278.831   21.882  260.307   22.153 18.52377 31.13827 
1 1 1   -9  -15   13 f  501.835   23.755  3258.75  297.694  3319.91  423.836  3199.20  418.225  496.132   34.423  486.779   34.631 9.352997 48.82877 
1 1 1   -9  -15   14 o  269.944   21.993  945.636  146.965   0.0000   0.0000  945.636  146.965  ?   ?   269.944   21.993 0.000000 21.99282 
1 1 1   -9  -15   15 o  213.547   14.573  580.726   77.249  568.835  115.947  590.217  103.589  208.513   22.631  213.619   19.639 -5.106445 29.96405 
1 1 1   -9  -15   16 o   95.071   15.978  117.994   36.588  111.031   64.955  121.230   44.281   90.876   26.796   95.604   19.214 -4.727600 32.97282 
1 1 1   -9  -15   17 o  228.831   15.167  668.532   86.181  636.942  129.126  693.907  115.728  219.797   23.911  231.202   20.249 -11.40532 31.33312 
1 1 1   -9  -15   18 o  333.242   18.027  1427.59  149.456  1409.16  217.212  1444.16  205.963  325.388   26.975  330.769   25.123 -5.381195 36.86229 
1 1 1   -9  -15   19 o  201.983   14.335  520.886   71.835  634.640  113.183  444.155   92.957  220.500   20.801  184.261   20.552 36.23865 29.24165 
1 1 1   -9  -15   20 o  254.072   16.160  828.250  102.000  791.745  154.729  856.306  135.646  243.397   25.853  255.796   21.433 -12.39964 33.58186 
1 1 1   -9  -15   21 o  192.022   14.978  473.045   71.252  495.080  116.250  459.786   90.176  192.182   24.802  187.556   19.540 4.626144 31.57462 
1 1 1   -9  -15   22 o  265.211   17.085  908.489  112.548  798.673  171.062  992.312  149.452  241.249   28.974  274.280   22.005 -33.03162 36.38339 
1 1 1   -9  -15   23 o   57.997   19.998   40.754   35.136   0.0000   0.0000   40.754   35.136  ?   ?    57.997   19.998 0.000000 19.99780 
1 1 1   -9  -15   24 o  126.190   15.827  208.378   48.776  304.938  101.582  179.445   55.606  146.421   28.808  115.401   20.022 31.02007 35.08240 
1 1 1   -9  -15   25 o  117.426   34.285  211.742  106.803  211.742  106.803   0.0000   0.0000  117.426   34.285  ?   ?  0.000000 34.28515 
1 1 1   -9  -15   26 o  146.553   19.347  291.130   69.074   0.0000   0.0000  291.130   69.074  ?   ?   146.553   19.347 0.000000 19.34731 
1 1 1   -9  -15   27 o   50.798   24.382 -95.0706   89.525 -95.0706   89.525   0.0000   0.0000   50.798   24.382  ?   ?  0.000000 24.38166 
1 1 1   -9  -15   28 o  163.686   16.961  363.770   68.323  273.275  131.268  397.394   80.016  121.006   38.555  169.232   19.278 -48.22644 43.10633 
1 1 1   -9  -15   29 o   82.766   19.480   99.065   39.591   51.255  115.703  105.405   42.134   73.606   32.413   85.061   20.146 -11.45515 38.16382 
1 1 1   -9  -15   30 o   51.125   18.856   32.778   31.757   0.0000   0.0000   32.778   31.757  ?   ?    51.125   18.856 0.000000 18.85603 
1 1 1   -9  -15   31 o   84.826   20.949  109.324   44.113   0.0000   0.0000  109.324   44.113  ?   ?    84.826   20.949 0.000000 20.94901 
1 1 1   -9  -15   32 f   64.436   20.498   63.464   37.116   0.0000   0.0000   63.464   37.116  ?   ?    64.436   20.498 0.000000 20.49839 
1 1 1   -9  -14    1 o  730.001   47.005  6924.35  852.315  6924.35  852.315   0.0000   0.0000  730.001   47.005  ?   ?  0.000000 47.00462 
1 1 1   -9  -14    2 o  336.669   17.339  1426.40  145.279  1380.36  206.245  1471.73  204.675  329.727   25.240  340.745   24.211 -11.01871 34.97493 
1 1 1   -9  -14    3 o  473.161   22.116  2820.79  261.321  2806.43  370.527  2835.00  368.609  468.675   31.848  471.178   31.509 -2.502716 44.80109 
1 1 1   -9  -14    4 o  211.345   13.698  562.127   71.902  577.805  104.181  547.865   99.361  213.393   19.775  207.811   19.370 5.581894 27.68137 
1 1 1   -9  -14    5 o  170.528   13.109  366.585   55.395  373.122   81.587  360.994   75.453  171.085   19.442  168.459   18.227 2.626175 26.64987 
1 1 1   -9  -14    6 o  390.078   27.376  1943.55  264.982   0.0000   0.0000  1943.55  264.982  ?   ?   390.078   27.376 0.000000 27.37621 
1 1 1   -9  -14    7 o  621.661   27.783  4926.85  431.307  5212.23  611.981  4645.20  607.960  632.108   38.960  595.137   41.161 36.97168 56.67521 
1 1 1   -9  -14    8 o  118.318   13.431  177.985   38.982  219.763   61.044  149.216   50.655  130.566   19.304  107.052   19.674 23.51364 27.56288 
1 1 1   -9  -14    9 o  289.069   15.866  1055.53  114.093  1088.86  164.122  1024.36  158.717  291.876   22.696  283.063   22.643 8.813477 32.05969 
1 1 1   -9  -14   10 o  188.400   13.044  448.245   60.990  561.892   91.380  356.952   81.902  210.152   17.574  166.613   20.090 43.53824 26.69204 
1 1 1   -9  -14   11 o   79.037   24.122   80.518   51.962   80.518   51.962   0.0000   0.0000   79.037   24.122  ?   ?  0.000000 24.12190 
1 1 1   -9  -14   12 o  209.896   14.339  558.341   74.707  512.356  109.713  598.097  102.012  198.861   22.488  216.071   19.103 -17.21030 29.50669 
1 1 1   -9  -14   13 o  133.343   13.932  226.805   45.706  220.396   72.510  231.030   58.875  129.055   23.359  133.641   18.108 -4.585770 29.55602 
1 1 1   -9  -14   14 o  258.389   15.462  848.892   99.309  827.436  144.661  868.016  136.575  252.274   23.224  259.241   21.285 -6.967056 31.50205 
1 1 1   -9  -14   15 o  381.513   19.266  1866.66  182.953  1921.94  264.290  1815.80  253.514  381.683   27.922  371.213   27.545 10.47043 39.22201 
1 1 1   -9  -14   16 o  155.561   14.167  308.842   54.432  287.137   85.804  323.459   70.415  146.939   24.229  158.162   18.158 -11.22278 30.27749 
1 1 1   -9  -14   17 o  168.747   13.631  362.679   56.950  447.205   90.496  307.255   73.280  185.607   19.832  153.584   19.550 32.02368 27.84781 
1 1 1   -9  -14   18 o  148.345   14.391  281.653   52.640  275.929   85.721  285.119   66.697  143.508   24.818  148.133   18.429 -4.625534 30.91220 
1 1 1   -9  -14   19 o  136.260   14.433  238.190   48.363  290.432   82.010  210.336   59.884  147.903   22.948  126.512   19.588 21.39072 30.17121 
1 1 1   -9  -14   20 o   73.074   27.363   56.796   67.380   56.796   67.380   0.0000   0.0000   73.074   27.363  ?   ?  0.000000 27.36334 
1 1 1   -9  -14   21 o   52.828   18.880   31.206   31.511   21.648   71.788   33.487   35.070   65.143   26.983   55.099   19.891 10.04401 33.52254 
1 1 1   -9  -14   22 o  265.299   16.650  905.020  109.745  870.804  167.317  930.855  145.389  254.546   26.721  266.208   22.070 -11.66216 34.65652 
1 1 1   -9  -14   23 o  101.561   17.429  136.164   42.611  170.428   91.889  126.777   48.095  109.666   31.739   97.034   20.491 12.63222 37.77891 
1 1 1   -9  -14   24 o   35.194   15.724 -10.6610   28.238   0.0000   0.0000 -10.6610   28.238  ?   ?    35.194   15.724 0.000000 15.72422 
1 1 1   -9  -14   25 o  126.058   17.385  209.686   53.270   94.978  104.686  249.766   61.880   88.668   33.901  137.290   18.522 -48.62205 38.63054 
1 1 1   -9  -14   26 o   50.038   18.784   26.025   31.791   18.276   97.045   26.957   33.647   70.416   30.358   51.153   19.300 19.26307 35.97331 
1 1 1   -9  -14   27 o  208.093   16.569  571.673   85.389  534.990  145.777  590.833  105.355  188.184   32.177  208.661   20.483 -20.47766 38.14368 
1 1 1   -9  -14   28 o  143.185   35.193  337.020  124.943  337.020  124.943   0.0000   0.0000  143.185   35.193  ?   ?  0.000000 35.19271 
1 1 1   -9  -14   29 o   58.409   19.391   46.141   33.021   74.810  105.890   43.053   34.754   78.285   32.627   57.259   19.880 21.02613 38.20704 
1 1 1   -9  -14   30 o   50.524   18.554   31.083   30.701   66.292  109.681   28.090   31.980   75.388   32.385   49.620   18.793 25.76729 37.44294 
1 1 1   -9  -14   31 o  104.556   20.386  160.117   51.314   0.0000   0.0000  160.117   51.314  ?   ?   104.556   20.386 0.000000 20.38570 
1 1 1   -9  -14   32 o  143.245   19.886  299.526   69.216   0.0000   0.0000  299.526   69.216  ?   ?   143.245   19.886 0.000000 19.88615 
1 1 1   -9  -14   33 o   56.812   19.795   46.561   34.468   0.0000   0.0000   46.561   34.468  ?   ?    56.812   19.795 0.000000 19.79451 
1 1 1   -9  -13    1 o  876.745   38.284  9813.12  838.195 10250.99  1186.62  9377.08  1184.15  885.160   53.941  844.618   56.469 40.54236 78.09167 
1 1 1   -9  -13    2 o  457.374   30.918  2662.98  351.056  2662.98  351.056   0.0000   0.0000  457.374   30.918  ?   ?  0.000000 30.91804 
1 1 1   -9  -13    3 o  326.491   16.856  1340.72  136.957  1397.77  194.746  1284.90  192.644  332.241   23.627  318.319   24.421 13.92130 33.97970 
1 1 1   -9  -13    4 o  659.966   29.165  5519.12  480.648  5842.80  681.305  5198.40  678.184  673.264   40.715  633.712   43.112 39.55139 59.29850 
1 1 1   -9  -13    5 o  241.146   14.145  731.275   84.804  816.940  122.206  651.706  117.778  254.171   19.400  226.572   21.057 27.59898 28.63194 
1 1 1   -9  -13    6 o  321.109   16.579  1298.07  132.485  1386.79  189.523  1213.29  185.274  330.689   23.096  308.964   24.207 21.72516 33.45729 
1 1 1   -9  -13    7 o  161.536   18.111  332.254   71.798   0.0000   0.0000  332.254   71.798  ?   ?   161.536   18.111 0.000000 18.11076 
1 1 1   -9  -13    8 o  392.668   18.899  1942.79  185.316  2079.55  264.456  1810.83  259.761  403.711   26.377  376.141   27.853 27.57059 38.36058 
1 1 1   -9  -13    9 o  286.941   15.806  1038.52  112.820  1059.73  162.121  1018.59  157.100  288.342   22.699  282.723   22.436 5.618195 31.91592 
1 1 1   -9  -13   10 o  254.435   15.039  817.091   95.128  808.714  137.307  824.824  131.917  251.572   22.080  254.367   20.954 -2.794876 30.43990 
1 1 1   -9  -13   11 o  351.073   17.924  1561.37  156.617  1593.74  224.070  1530.45  218.997  352.082   25.662  345.010   25.601 7.072144 36.24866 
1 1 1   -9  -13   12 o  241.496   21.842  748.773  130.296  748.773  130.296   0.0000   0.0000  241.496   21.842  ?   ?  0.000000 21.84222 
1 1 1   -9  -13   13 o  611.336   28.022  4845.65  427.787  4997.29  607.362  4696.37  602.629  608.005   40.230  588.164   41.292 19.84167 57.64949 
1 1 1   -9  -13   14 o  350.862   17.724  1567.33  154.793  1698.67  222.895  1444.97  215.132  362.020   24.805  333.129   26.069 28.89032 35.98438 
1 1 1   -9  -13   15 o  384.832   19.477  1895.90  186.565  1878.41  267.047  1912.57  260.752  377.797   28.516  381.895   27.527 -4.097565 39.63443 
1 1 1   -9  -13   16 o  494.608   23.783  3166.50  293.752  3097.17  418.453  3233.86  412.469  478.125   35.297  490.069   33.913 -11.94363 48.94823 
1 1 1   -9  -13   17 o  108.475   19.251  154.805   50.239   0.0000   0.0000  154.805   50.239  ?   ?   108.475   19.251 0.000000 19.25144 
1 1 1   -9  -13   18 o  172.530   13.913  379.187   59.434  435.185   93.711  341.505   76.873  182.758   20.910  162.147   19.368 20.61063 28.50204 
1 1 1   -9  -13   19 f  293.051   16.706  1098.14  121.746  1088.59  178.623  1106.42  166.379  287.571   25.126  291.094   23.077 -3.522614 34.11586 
1 1 1   -9  -13   20 o  197.283   14.379  496.300   70.351  566.300  111.055  449.379   90.921  208.176   21.681  185.898   19.895 22.27751 29.42543 
1 1 1   -9  -13   21 o  137.449   27.062  257.314   89.579  257.314   89.579   0.0000   0.0000  137.449   27.062  ?   ?  0.000000 27.06173 
1 1 1   -9  -13   22 o  168.143   14.620  362.064   60.775  440.125  103.522  321.011   75.073  182.273   23.275  156.665   19.620 25.60826 30.44114 
1 1 1   -9  -13   23 o   53.842   19.227   32.604   32.673   7.5271   78.330   37.886   35.950   64.357   27.500   57.247   20.197 7.109867 34.11949 
1 1 1   -9  -13   24 o  126.863   16.749  209.827   51.763  164.687   99.755  226.461   60.554  108.033   33.499  131.102   19.054 -23.06892 38.53880 
1 1 1   -9  -13   25 o  209.536   20.275  578.060  104.764   0.0000   0.0000  578.060  104.764  ?   ?   209.536   20.275 0.000000 20.27531 
1 1 1   -9  -13   26 f  128.723   33.612  245.747  109.214  245.747  109.214   0.0000   0.0000  128.723   33.612  ?   ?  0.000000 33.61220 
1 1 1   -9  -13   27 o  134.944   17.305  241.274   56.971  125.897  114.979  278.818   65.589   95.594   35.755  144.588   18.597 -48.99323 40.30196 
1 1 1   -9  -13   28 o  184.261   15.978  447.020   72.794  488.360  133.999  429.713   86.703  181.099   30.729  178.217   19.818 2.882248 36.56474 
1 1 1   -9  -13   29 o   75.281   31.860   50.726  103.398   50.726  103.398   0.0000   0.0000   75.281   31.860  ?   ?  0.000000 31.85989 
1 1 1   -9  -13   30 o   99.883   18.765  139.603   45.086   97.292  116.039  147.126   48.931   83.669   34.448  101.931   19.937 -18.26159 39.80149 
1 1 1   -9  -13   31 o   70.199   20.144   71.520   37.157   18.863  117.650   77.354   39.161   69.718   31.540   72.765   20.613 -3.046883 37.67905 
1 1 1   -9  -13   32 o  168.201   20.138  406.814   82.903   0.0000   0.0000  406.814   82.903  ?   ?   168.201   20.138 0.000000 20.13780 
1 1 1   -9  -13   33 o   80.095   21.170   97.567   42.984   0.0000   0.0000   97.567   42.984  ?   ?    80.095   21.170 0.000000 21.17007 
1 1 1   -9  -13   34 o   48.683   18.761   28.409   32.229   0.0000   0.0000   28.409   32.229  ?   ?    48.683   18.761 0.000000 18.76112 
1 1 1   -9  -12    1 o  720.076   31.830  6568.87  572.354  6587.12  809.833  6550.65  809.028  714.341   45.637  712.306   45.724 2.035278 64.60190 
1 1 1   -9  -12    2 o  494.747   22.805  3079.69  281.754  3150.67  399.027  3009.11  397.895  497.520   32.292  485.966   32.983 11.55341 46.15912 
1 1 1   -9  -12    3 o  418.568   28.815  2225.17  299.356  2225.17  299.356   0.0000   0.0000  418.568   28.815  ?   ?  0.000000 28.81545 
1 1 1   -9  -12    4 o  586.116   26.205  4335.83  383.540  4609.31  543.566  4064.66  541.256  600.292   36.433  562.686   38.756 37.60590 53.19246 
1 1 1   -9  -12    5 o  368.047   18.199  1700.63  167.267  1751.83  237.665  1650.38  235.454  371.667   25.766  360.565   26.332 11.10126 36.84121 
1 1 1   -9  -12    6 o  159.627   12.992  321.200   51.337  318.888   74.972  323.242   70.444  158.124   19.393  159.443   18.008 -1.319168 26.46470 
1 1 1   -9  -12    7 o  181.429   13.310  414.594   59.881  439.170   87.253  392.713   82.329  185.940   19.061  175.721   19.068 10.21924 26.96108 
1 1 1   -9  -12    8 o  391.695   27.436  1955.69  266.671   0.0000   0.0000  1955.69  266.671  ?   ?   391.695   27.436 0.000000 27.43642 
1 1 1   -9  -12    9 o  210.645   13.915  559.016   72.783  574.942  106.291  544.957   99.870  212.593   20.267  207.064   19.546 5.529694 28.15630 
1 1 1   -9  -12   10 o  372.773   18.222  1750.90  169.625  1889.88  242.402  1617.53  237.447  384.866   25.364  355.432   26.953 29.43433 37.01057 
1 1 1   -9  -12   11 o  198.277   13.448  495.893   66.191  568.838   97.727  434.070   89.969  211.486   18.697  184.285   19.864 27.20062 27.27973 
1 1 1   -9  -12   12 o  386.993   18.995  1894.27  183.563  1966.32  262.081  1824.88  257.184  390.872   27.016  376.258   27.564 14.61450 38.59585 
1 1 1   -9  -12   13 o  628.845   42.779  5330.72  667.776  5330.72  667.776   0.0000   0.0000  628.845   42.779  ?   ?  0.000000 42.77854 
1 1 1   -9  -12   14 o  514.782   23.308  3393.99  299.624  3780.70  427.088  3019.20  420.455  536.565   32.021  476.551   35.588 60.01395 47.87305 
1 1 1   -9  -12   15 o  463.402   21.971  2750.33  254.252  2859.87  362.566  2644.33  356.641  465.631   31.364  447.060   32.161 18.57129 44.92229 
1 1 1   -9  -12   16 o  111.149   15.298  159.174   41.335   90.120   66.702  202.225   52.667   84.237   27.541  125.040   17.333 -40.80360 32.54121 
1 1 1   -9  -12   17 o  374.185   19.109  1792.90  177.959  1796.92  255.707  1789.12  247.823  369.462   27.922  369.225   27.067 0.2372437 38.88736 
1 1 1   -9  -12   18 f  200.428   19.564  518.908   96.669   0.0000   0.0000  518.908   96.669  ?   ?   200.428   19.564 0.000000 19.56377 
1 1 1   -9  -12   19 o  217.624   14.700  602.933   79.417  619.633  119.799  589.840  106.073  217.961   22.325  213.456   20.138 4.504684 30.06560 
1 1 1   -9  -12   20 o  129.776   14.826  216.314   47.185  237.783   80.229  204.960   58.341  133.041   25.068  125.084   19.299 7.957466 31.63631 
1 1 1   -9  -12   21 o  245.915   15.229  771.221   93.059  846.789  141.082  713.020  123.813  254.715   22.408  234.027   21.424 20.68710 31.00185 
1 1 1   -9  -12   22 o   71.020   27.901   43.872   72.365   43.872   72.365   0.0000   0.0000   71.020   27.901  ?   ?  0.000000 27.90054 
1 1 1   -9  -12   23 o  219.946   15.528  619.185   84.740  618.364  133.765  619.735  109.518  215.543   25.335  218.163   20.337 -2.620483 32.48807 
1 1 1   -9  -12   24 o  202.071   15.790  524.226   79.043  472.849  127.657  556.170  100.660  186.335   28.327  206.611   19.750 -20.27559 34.53227 
1 1 1   -9  -12   25 o  251.336   16.463  812.950  102.756  829.882  162.544  801.679  132.619  248.154   26.647  246.891   21.732 1.263000 34.38541 
1 1 1   -9  -12   26 o   81.503   21.608   90.330   44.693   0.0000   0.0000   90.330   44.693  ?   ?    81.503   21.608 0.000000 21.60847 
1 1 1   -9  -12   27 o  286.137   17.276  1065.44  122.865  1141.43  193.071  1013.72  159.279  287.889   27.178  274.463   23.465 13.42551 35.90567 
1 1 1   -9  -12   28 o  100.958   18.126  137.224   44.018  270.258  106.925  110.077   48.301  134.356   32.273   88.968   21.890 45.38834 38.99695 
1 1 1   -9  -12   29 o  162.318   16.027  347.625   64.117  423.284  127.381  321.951   74.202  167.600   31.594  154.073   19.740 13.52724 37.25386 
1 1 1   -9  -12   30 o   52.443   25.228 -105.1019   97.082 -105.1019   97.082   0.0000   0.0000   52.443   25.228  ?   ?  0.000000 25.22777 
1 1 1   -9  -12   31 o   67.393   19.786   64.356   35.482  130.490  111.466   56.898   37.429   90.089   34.842   63.895   20.612 26.19442 40.48235 
1 1 1   -9  -12   32 o   68.375   20.236   67.625   36.985  168.284  123.057   57.630   38.778   95.462   36.694   63.764   21.006 31.69809 42.28136 
1 1 1   -9  -12   33 o  140.632   19.868  283.886   67.829   0.0000   0.0000  283.886   67.829  ?   ?   140.632   19.868 0.000000 19.86757 
1 1 1   -9  -12   34 o   64.594   20.779   61.916   38.060   0.0000   0.0000   61.916   38.060  ?   ?    64.594   20.779 0.000000 20.77940 
1 1 1   -9  -12   35 o   39.645   16.930   6.5867   29.660   0.0000   0.0000   6.5867   29.660  ?   ?    39.645   16.930 0.000000 16.93048 
1 1 1   -9  -12   36 o   52.893   19.589   39.043   34.345   0.0000   0.0000   39.043   34.345  ?   ?    52.893   19.589 0.000000 19.58905 
1 1 1   -9  -11    1 o  277.312   15.170  966.132  104.651  1027.49  148.656  905.849  147.350  285.225   21.019  267.520   22.259 17.70532 30.61478 
1 1 1   -9  -11    2 o  239.526   14.222  720.908   84.687  712.529  120.148  729.181  119.386  237.319   20.474  240.152   20.092 -2.832748 28.68600 
1 1 1   -9  -11    3 o  719.104   31.801  6550.34  571.061  6537.15  807.909  6563.52  807.295  711.648   45.703  713.159   45.569 -1.510437 64.53951 
1 1 1   -9  -11    4 o  270.528   21.724  925.925  145.520  925.925  145.520   0.0000   0.0000  270.528   21.724  ?   ?  0.000000 21.72389 
1 1 1   -9  -11    5 o  979.484   42.864 12314.01  1048.44 12608.01  1483.65 12020.76  1481.78  975.843   61.193  951.410   62.721 24.43359 87.62699 
1 1 1   -9  -11    6 o  339.238   17.306  1447.49  146.117  1506.25  207.801  1390.02  205.501  344.876   24.284  331.086   25.041 13.78998 34.88170 
1 1 1   -9  -11    7 o  253.199   14.654  806.057   92.258  858.532  132.426  756.568  128.604  260.497   20.524  244.310   21.292 16.18700 29.57333 
1 1 1   -9  -11    8 o  629.556   28.054  5020.68  441.036  5248.23  625.278  4795.38  622.170  638.109   39.433  609.009   41.152 29.10040 56.99526 
1 1 1   -9  -11    9 o  752.835   48.837  7449.73  913.169   0.0000   0.0000  7449.73  913.169  ?   ?   752.835   48.837 0.000000 48.83730 
1 1 1   -9  -11   10 o  221.149   14.064  615.908   77.266  650.204  112.345  585.125  106.435  226.271   20.092  214.557   20.099 11.71494 28.41945 
1 1 1   -9  -11   11 o  362.964   18.387  1663.82  166.112  1640.34  236.688  1686.61  233.186  358.164   26.654  363.454   25.861 -5.290070 37.13800 
1 1 1   -9  -11   12 o  198.138   13.863  495.413   68.162  492.371  100.071  498.045   93.096  196.253   20.733  197.741   19.091 -1.488190 28.18369 
1 1 1   -9  -11   13 o  315.273   16.625  1256.44  130.422  1331.49  187.833  1186.58  181.233  322.656   23.473  304.321   24.044 18.33542 33.60199 
1 1 1   -9  -11   14 o  464.615   32.374  2821.16  373.268  2821.16  373.268   0.0000   0.0000  464.615   32.374  ?   ?  0.000000 32.37423 
1 1 1   -9  -11   15 o  392.342   19.138  1954.61  187.507  2080.31  268.197  1834.41  262.254  400.673   26.962  375.515   28.172 25.15875 38.99494 
1 1 1   -9  -11   16 o  478.769   22.492  2937.72  268.907  3088.57  383.505  2791.83  377.157  483.746   31.927  458.882   33.136 24.86343 46.01417 
1 1 1   -9  -11   17 o  383.538   19.096  1875.31  182.898  1939.09  262.272  1814.92  255.187  384.952   27.463  372.252   27.649 12.70038 38.97069 
1 1 1   -9  -11   18 o  430.338   20.885  2374.78  224.437  2449.01  321.407  2304.15  313.543  430.077   30.117  416.950   30.321 13.12711 42.73626 
1 1 1   -9  -11   19 o  221.202   20.161  631.967  110.145   0.0000   0.0000  631.967  110.145  ?   ?   221.202   20.161 0.000000 20.16140 
1 1 1   -9  -11   20 o   88.522   17.285  103.114   36.839  100.951   66.294  104.080   44.310   87.612   27.332   88.337   20.485 -0.7253723 34.15647 
1 1 1   -9  -11   21 o  144.631   14.797  267.916   52.690  252.956   86.267  276.817   66.545  137.002   26.170  145.981   18.683 -8.979050 32.15447 
1 1 1   -9  -11   22 o   78.139   19.184   81.351   37.157   39.529   72.459   96.273   43.281   70.077   27.795   84.833   20.629 -14.75655 34.61377 
1 1 1   -9  -11   23 o  209.459   24.793  580.818  127.164  580.818  127.164   0.0000   0.0000  209.459   24.793  ?   ?  0.000000 24.79274 
1 1 1   -9  -11   24 o  161.470   19.255  339.791   76.110   0.0000   0.0000  339.791   76.110  ?   ?   161.470   19.255 0.000000 19.25546 
1 1 1   -9  -11   25 o  110.361   32.586  170.538   96.002  170.538   96.002   0.0000   0.0000  110.361   32.586  ?   ?  0.000000 32.58630 
1 1 1   -9  -11   26 o  136.270   15.998  240.619   53.404  302.411  103.328  218.097   62.382  147.601   29.068  128.296   20.134 19.30553 35.36001 
1 1 1   -9  -11   27 o  168.112   19.524  372.018   80.437   0.0000   0.0000  372.018   80.437  ?   ?   168.112   19.524 0.000000 19.52417 
1 1 1   -9  -11   28 o  186.703   15.718  452.166   72.602  528.519  130.789  418.159   87.286  194.864   27.653  177.442   20.050 17.42223 34.15735 
1 1 1   -9  -11   29 o   53.974   19.606   33.228   34.146  136.620  104.415   20.847   36.133   97.353   34.412   49.826   19.670 47.52702 39.63752 
1 1 1   -9  -11   30 o  139.406   17.462  259.847   59.456  172.534  122.133  286.966   68.065  104.454   37.186  145.637   19.182 -41.18279 41.84208 
1 1 1   -9  -11   31 o   92.244   35.572  129.285  115.928  129.285  115.928   0.0000   0.0000   92.244   35.572  ?   ?  0.000000 35.57242 
1 1 1   -9  -11   32 o   79.624   19.789   90.558   39.177  107.181  120.080   88.577   41.445   85.830   35.155   78.346   20.826 7.483162 40.86102 
1 1 1   -9  -11   33 o   85.460   20.178  105.970   42.373  101.666  133.335  106.454   44.689   83.706   35.826   85.148   21.120 -1.442642 41.58769 
1 1 1   -9  -11   34 o   68.991   21.107   70.345   39.755   0.0000   0.0000   70.345   39.755  ?   ?    68.991   21.107 0.000000 21.10707 
1 1 1   -9  -11   35 o   39.101   16.275   9.1228   26.296   0.0000   0.0000   9.1228   26.296  ?   ?    39.101   16.275 0.000000 16.27472 
1 1 1   -9  -11   36 o   79.187   20.398   96.026   40.582   0.0000   0.0000   96.026   40.582  ?   ?    79.187   20.398 0.000000 20.39753 
1 1 1   -9  -11   37 o   92.644   20.603  133.841   46.433   0.0000   0.0000  133.841   46.433  ?   ?    92.644   20.603 0.000000 20.60326 
1 1 1   -9  -10    1 o  145.562   12.181  266.948   43.869  286.472   62.908  248.465   61.208  150.211   17.074  139.617   17.973 10.59389 24.79002 
1 1 1   -9  -10    2 o  517.830   23.678  3374.02  306.184  3432.08  433.458  3316.20  432.561  519.213   33.611  510.174   34.150 9.038696 47.91629 
1 1 1   -9  -10    3 f  954.568   41.744 11652.56  995.057 11569.20  1407.36 11735.89  1407.08  937.445   60.441  944.577   59.964 -7.132629 85.13947 
1 1 1   -9  -10    4 o  306.974   16.253  1184.22  124.147  1173.34  175.794  1195.04  175.348  304.522   23.294  307.389   23.010 -2.866882 32.74265 
1 1 1   -9  -10    5 o  212.431   19.568  571.267  102.636  571.267  102.636   0.0000   0.0000  212.431   19.568  ?   ?  0.000000 19.56770 
1 1 1   -9  -10    6 o  1034.14   45.265 13757.96  1168.95 14006.60  1654.03 13509.85  1652.26  1025.99   64.893  1006.40   66.112 19.58539 92.63822 
1 1 1   -9  -10    7 o  833.269   36.644  8849.73  762.505  8844.63  1078.87  8854.83  1077.82  822.599   52.800  823.136   52.712 -0.5375366 74.60814 
1 1 1   -9  -10    8 o  715.930   31.577  6504.83  564.544  6774.84  799.731  6236.63  797.048  723.689   44.468  693.227   46.309 30.46228 64.20227 
1 1 1   -9  -10    9 o  435.138   20.736  2382.33  225.320  2367.02  319.869  2397.40  317.444  430.982   29.906  433.874   29.474 -2.892303 41.98899 
1 1 1   -9  -10   10 o  167.568   18.449  357.147   75.921   0.0000   0.0000  357.147   75.921  ?   ?   167.568   18.449 0.000000 18.44912 
1 1 1   -9  -10   11 o  387.141   19.153  1886.91  185.164  1821.24  263.313  1951.16  260.433  377.564   28.129  391.261   26.817 -13.69727 38.86381 
1 1 1   -9  -10   12 o  361.179   18.309  1647.00  164.593  1641.09  234.647  1652.73  230.938  358.406   26.403  359.843   25.873 -1.437012 36.96655 
1 1 1   -9  -10   13 o  424.825   20.353  2281.17  215.918  2354.39  307.436  2209.90  303.315  428.040   28.932  414.409   29.502 13.63055 41.32133 
1 1 1   -9  -10   14 o  239.300   14.338  722.573   85.285  819.388  124.525  637.040  117.044  253.728   19.810  223.188   21.257 30.54024 29.05726 
1 1 1   -9  -10   15 f  335.062   25.544  1445.77  212.120  1445.77  212.120   0.0000   0.0000  335.062   25.544  ?   ?  0.000000 25.54418 
1 1 1   -9  -10   16 o  291.156   16.222  1074.38  117.475  1071.81  169.465  1076.77  162.992  288.393   23.742  289.435   22.734 -1.042114 32.87125 
1 1 1   -9  -10   17 o   94.069   15.911  114.896   36.044  118.863   59.883  112.643   45.135   94.378   25.008   92.299   20.148 2.079010 32.11442 
1 1 1   -9  -10   18 o  153.042   13.859  297.970   52.390  329.890   81.700  275.678   68.276  159.278   21.057  145.895   19.207 13.38246 28.50100 
1 1 1   -9  -10   19 o  361.239   18.185  1666.08  163.518  1807.74  236.203  1535.71  226.594  372.393   25.555  342.440   26.709 29.95331 36.96514 
1 1 1   -9  -10   20 o  329.111   24.978  1413.82  203.753   0.0000   0.0000  1413.82  203.753  ?   ?   329.111   24.978 0.000000 24.97834 
1 1 1   -9  -10   21 o   80.330   18.133   85.506   35.512   42.831   65.371  103.373   42.298   68.889   26.671   88.179   19.705 -19.28960 33.16083 
1 1 1   -9  -10   22 f  159.279   14.664  324.147   57.669  354.029   94.690  306.527   72.709  163.631   23.876  153.546   19.395 10.08507 30.76134 
1 1 1   -9  -10   23 f   63.859   19.426   52.714   33.739  141.850   71.539   27.216   38.262  102.025   27.469   53.972   20.528 48.05300 34.29221 
1 1 1   -9  -10   24 o  147.563   27.690  295.677   98.287  295.677   98.287   0.0000   0.0000  147.563   27.690  ?   ?  0.000000 27.68976 
1 1 1   -9  -10   25 o  213.875   15.257  584.746   80.951  652.945  130.150  541.716  103.382  222.514   23.791  203.871   20.589 18.64301 31.46305 
1 1 1   -9  -10   26 o   64.525   20.382   53.463   36.745   31.317   86.083   58.398   40.633   72.042   29.667   67.412   21.448 4.629951 36.60762 
1 1 1   -9  -10   27 o  206.976   15.940  551.050   81.751  552.081  136.662  550.475  102.018  201.323   27.936  205.086   20.181 -3.762939 34.46334 
1 1 1   -9  -10   28 o  170.354   19.566  382.031   81.722   0.0000   0.0000  382.031   81.722  ?   ?   170.354   19.566 0.000000 19.56555 
1 1 1   -9  -10   29 o  118.050   17.665  184.632   50.475  244.755  112.189  169.373   56.519  127.942   34.379  111.685   21.037 16.25719 40.30466 
1 1 1   -9  -10   30 o  254.470   17.445  851.068  110.186  817.650  179.438  871.297  139.607  237.269   31.028  253.587   22.272 -16.31755 38.19374 
1 1 1   -9  -10   31 o  198.946   16.109  521.620   79.343  629.973  147.006  477.082   94.249  207.255   29.214  187.233   20.492 20.02167 35.68504 
1 1 1   -9  -10   32 o  107.601   37.265  198.209  122.070  198.209  122.070   0.0000   0.0000  107.601   37.265  ?   ?  0.000000 37.26466 
1 1 1   -9  -10   33 o  137.913   17.327  259.663   58.356  284.132  136.170  254.158   64.587  122.869   39.281  134.755   19.782 -11.88597 43.98132 
1 1 1   -9  -10   34 o  168.482   17.136  389.229   71.094  391.034  153.250  388.735   80.252  139.500   41.166  166.032   19.743 -26.53191 45.65559 
1 1 1   -9  -10   35 o   46.314   17.940   22.711   29.589   0.0000   0.0000   22.711   29.589  ?   ?    46.314   17.940 0.000000 17.94026 
1 1 1   -9  -10   36 o   38.070   16.061   6.5833   26.141   0.0000   0.0000   6.5833   26.141  ?   ?    38.070   16.061 0.000000 16.06064 
1 1 1   -9  -10   37 o  146.137   20.040  317.369   71.207   0.0000   0.0000  317.369   71.207  ?   ?   146.137   20.040 0.000000 20.04036 
1 1 1   -9  -10   38 o   52.138   19.041   38.097   32.270   0.0000   0.0000   38.097   32.270  ?   ?    52.138   19.041 0.000000 19.04122 
1 1 1   -9   -9    1 o  378.415   14.916  1793.52  140.955  1859.85  244.935  1760.67  172.355  383.338   25.736  374.629   18.424 8.709137 31.65088 
1 1 1   -9   -9    2 o  448.978   21.026  2532.34  235.745  2605.90  333.878  2459.20  332.911  453.156   29.668  439.964   30.489 13.19278 42.54184 
1 1 1   -9   -9    3 o  881.541   38.569  9901.74  849.054  9997.27  1201.12  9806.33  1200.36  875.084   55.249  866.289   55.785 8.795410 78.51340 
1 1 1   -9   -9    4 o  437.194   20.655  2400.50  225.503  2414.05  319.259  2387.01  318.561  436.152   29.486  433.668   29.593 2.484497 41.77489 
1 1 1   -9   -9    5 o  644.806   28.761  5250.69  463.107  5259.35  655.057  5242.03  654.807  640.322   41.185  639.240   41.240 1.081360 58.28351 
1 1 1   -9   -9    6 o  990.910   63.628 13000.88  1566.14 13000.88  1566.14   0.0000   0.0000  990.910   63.628  ?   ?  0.000000 63.62771 
1 1 1   -9   -9    7 o  443.001   20.860  2465.79  230.767  2554.83  327.052  2377.51  325.661  448.634   29.355  432.474   30.347 16.15948 42.22110 
1 1 1   -9   -9    8 o  443.109   20.948  2467.82  231.791  2488.12  328.448  2447.68  327.160  442.451   29.903  438.789   30.038 3.662048 42.38464 
1 1 1   -9   -9    9 o  539.411   24.659  3668.47  332.163  3642.80  470.546  3693.96  468.957  533.652   35.512  537.537   35.129 -3.885071 49.95196 
1 1 1   -9   -9   10 o  373.247   18.416  1749.76  171.652  1799.21  244.204  1701.47  241.326  376.489   26.137  365.966   26.588 10.52298 37.28340 
1 1 1   -9   -9   11 o  342.908   24.961  1493.53  212.271   0.0000   0.0000  1493.53  212.271  ?   ?   342.908   24.961 0.000000 24.96050 
1 1 1   -9   -9   12 o  217.715   13.935  596.786   75.361  650.999  110.003  548.838  103.451  226.540   19.639  207.765   20.195 18.77567 28.16971 
1 1 1   -9   -9   13 o  343.147   17.485  1485.42  149.331  1569.92  213.478  1404.45  208.966  351.100   24.502  331.739   25.418 19.36047 35.30487 
1 1 1   -9   -9   14 o  368.739   18.282  1714.40  168.342  1812.19  240.434  1620.35  235.777  376.494   25.727  355.575   26.749 20.91904 37.11372 
1 1 1   -9   -9   15 o  321.923   16.929  1310.11  135.611  1364.44  194.601  1258.81  189.084  326.543   24.034  313.481   24.345 13.06192 34.20961 
1 1 1   -9   -9   16 o  211.460   21.103  573.464  109.945  573.464  109.945   0.0000   0.0000  211.460   21.103  ?   ?  0.000000 21.10263 
1 1 1   -9   -9   17 o  259.847   15.170  854.677   98.009  902.434  142.253  811.521  135.225  265.200   21.670  251.372   21.757 13.82808 30.70708 
1 1 1   -9   -9   18 o  326.295   17.368  1353.52  141.010  1359.69  202.893  1347.76  196.116  323.848   25.289  322.771   24.515 1.077240 35.22070 
1 1 1   -9   -9   19 o  184.437   14.133  431.931   64.596  432.170   96.800  431.738   86.733  182.476   21.667  183.108   19.257 -0.6317902 28.98733 
1 1 1   -9   -9   20 o  131.524   14.061  220.948   45.467  305.492   74.878  171.571   57.224  153.381   20.027  114.083   20.855 39.29806 28.91419 
1 1 1   -9   -9   21 o  389.485   28.256  1998.85  272.955   0.0000   0.0000  1998.85  272.955  ?   ?   389.485   28.256 0.000000 28.25624 
1 1 1   -9   -9   22 o  312.328   17.676  1247.01  137.295  1143.53  199.692  1339.78  189.073  294.231   27.497  320.814   23.770 -26.58276 36.34684 
1 1 1   -9   -9   23 o  282.426   22.892  1037.95  160.063   0.0000   0.0000  1037.95  160.063  ?   ?   282.426   22.892 0.000000 22.89229 
1 1 1   -9   -9   24 o  221.325   24.235  643.964  131.755  643.964  131.755   0.0000   0.0000  221.325   24.235  ?   ?  0.000000 24.23512 
1 1 1   -9   -9   25 o  240.468   25.102  763.306  148.516  763.306  148.516   0.0000   0.0000  240.468   25.102  ?   ?  0.000000 25.10240 
1 1 1   -9   -9   26 o  120.937   17.215  190.411   50.522  125.316   92.664  217.946   60.267   97.439   32.490  128.906   19.317 -31.46717 37.79915 
1 1 1   -9   -9   27 o  157.462   16.010  319.500   62.079  316.464  111.251  320.873   74.809  150.963   30.559  156.637   19.551 -5.674469 36.27829 
1 1 1   -9   -9   28 o   72.643   20.901   70.409   39.953 -26.7585   92.309   92.808   44.319   63.233   28.328   82.859   21.301 -19.62598 35.44315 
1 1 1   -9   -9   29 o  188.943   15.770  461.144   73.729  626.313  139.203  396.744   86.922  214.348   26.576  173.164   20.499 41.18396 33.56351 
1 1 1   -9   -9   30 o   60.818   20.543   46.506   37.047   16.163  103.679   50.947   39.666   72.664   31.353   63.305   21.257 9.358444 37.87949 
1 1 1   -9   -9   31 o   98.453   19.495  132.269   46.234   98.814  110.975  139.296   50.858   88.856   34.653  100.507   20.943 -11.65150 40.48992 
1 1 1   -9   -9   32 o  212.458   15.615  593.209   82.262  832.004  153.771  497.468   97.367  241.936   25.852  190.866   20.763 51.06956 33.15791 
1 1 1   -9   -9   33 o   67.602   30.223   4.3530  104.505   4.3530  104.505   0.0000   0.0000   67.602   30.223  ?   ?  0.000000 30.22323 
1 1 1   -9   -9   34 o   60.909   19.560   51.229   33.735 -29.2681  112.083   59.247   35.375   63.842   29.580   64.857   19.922 -1.015564 35.66357 
1 1 1   -9   -9   35 o   49.839   18.416   29.641   30.321  141.885  126.762   22.829   31.228   90.338   36.445   47.263   18.396 43.07511 40.82444 
1 1 1   -9   -9   36 o   78.180   19.452   89.211   37.823  215.654  137.291   78.826   39.345  101.358   38.806   72.963   20.659 28.39561 43.96238 
1 1 1   -9   -9   37 o   77.027   20.628   89.543   40.473   0.0000   0.0000   89.543   40.473  ?   ?    77.027   20.628 0.000000 20.62839 
1 1 1   -9   -9   38 o   61.801   20.285   57.454   36.172   0.0000   0.0000   57.454   36.172  ?   ?    61.801   20.285 0.000000 20.28476 
1 1 1   -9   -8    1 o  989.119   34.736 12427.44  857.977 13459.94  1488.42 11913.64  1049.97  1011.66   59.175  963.726   43.629 47.93671 73.51944 
1 1 1   -9   -8    2 o  529.976   18.158  3523.29  240.310  4139.33  418.048  3219.27  293.681  571.578   29.388  505.847   23.249 65.73093 37.47247 
1 1 1   -9   -8    3 o  776.815   27.733  7614.67  537.982  7665.35  932.373  7589.37  658.693  769.582   48.768  773.441   34.104 -3.859314 59.50965 
1 1 1   -9   -8    4 o  123.666   12.291  193.227   37.453  204.913   53.211  181.753   52.726  126.695   17.269  119.011   18.330 7.683899 25.18283 
1 1 1   -9   -8    5 o  948.953   41.477 11506.45  982.876 11514.45  1390.17 11498.45  1389.82  936.232   59.773  935.556   59.802 0.6752930 84.55242 
1 1 1   -9   -8    6 o  1378.79   92.323 26568.13  3160.39 26568.13  3160.39   0.0000   0.0000  1378.79   92.323  ?   ?  0.000000 92.32251 
1 1 1   -9   -8    7 o  356.733   25.613  1611.36  226.647  1611.36  226.647   0.0000   0.0000  356.733   25.613  ?   ?  0.000000 25.61271 
1 1 1   -9   -8    8 o  706.611   31.306  6321.04  552.409  6272.06  781.497  6369.96  780.951  697.407   45.115  703.043   44.715 -5.635986 63.52028 
1 1 1   -9   -8    9 o  207.581   13.747  541.872   70.856  532.637  100.894  550.859   99.531  204.980   19.964  208.588   19.328 -3.607193 27.78720 
1 1 1   -9   -8   10 o  475.936   22.105  2850.09  262.721  2946.45  372.658  2754.88  370.439  481.133   31.185  464.897   32.105 16.23578 44.75756 
1 1 1   -9   -8   11 o  304.368   16.417  1165.40  124.320  1113.73  177.150  1215.55  174.509  296.221   24.159  309.832   22.713 -13.61035 33.15915 
1 1 1   -9   -8   12 o  418.248   28.863  2229.22  299.608   0.0000   0.0000  2229.22  299.608  ?   ?   418.248   28.863 0.000000 28.86255 
1 1 1   -9   -8   13 o  300.510   16.434  1137.61  122.855  1080.32  175.512  1192.65  172.027  291.269   24.354  306.525   22.634 -15.25656 33.24768 
1 1 1   -9   -8   14 o  149.833   13.398  283.803   49.602  308.922   74.544  263.844   66.449  155.336   19.657  143.492   19.012 11.84396 27.34723 
1 1 1   -9   -8   15 o  427.666   20.374  2311.56  217.586  2442.25  309.882  2184.46  305.588  436.176   28.609  411.885   29.915 24.29053 41.39255 
1 1 1   -9   -8   16 o  114.269   14.609  166.836   40.732  143.488   63.719  182.970   52.967  104.075   24.859  119.020   18.416 -14.94504 30.93706 
1 1 1   -9   -8   17 o  256.579   22.368  844.273  141.883  844.273  141.883   0.0000   0.0000  256.579   22.368  ?   ?  0.000000 22.36777 
1 1 1   -9   -8   18 o  170.966   13.738  370.403   58.158  408.255   88.446  341.568   77.195  178.086   20.248  162.928   19.352 15.15813 28.00842 
1 1 1   -9   -8   19 o  354.112   18.368  1596.72  161.868  1590.58  232.225  1602.53  225.743  349.638   26.802  351.417   25.907 -1.778351 37.27578 
1 1 1   -9   -8   20 o  158.560   14.272  319.957   55.906  279.595   85.888  349.632   73.644  145.424   24.523  164.878   18.189 -19.45390 30.53234 
1 1 1   -9   -8   21 o  470.378   22.769  2847.77  267.455  2796.53  381.614  2897.25  374.952  457.108   33.668  466.456   32.390 -9.347778 46.71930 
1 1 1   -9   -8   22 o  196.680   19.629  499.169   95.119   0.0000   0.0000  499.169   95.119  ?   ?   196.680   19.629 0.000000 19.62901 
1 1 1   -9   -8   23 o  569.406   26.643  4236.54  378.842  4375.65  540.319  4102.02  531.322  564.161   38.584  545.272   39.284 18.88892 55.06328 
1 1 1   -9   -8   24 o  219.085   15.478  611.926   84.134  578.902  129.103  636.305  110.924  209.558   25.174  221.835   20.247 -12.27701 32.30606 
1 1 1   -9   -8   25 o  202.676   15.051  523.846   75.632  564.771  119.835  496.752   97.504  207.469   23.547  195.685   20.246 11.78415 31.05445 
1 1 1   -9   -8   26 o  209.411   25.329  580.791  129.765  580.791  129.765   0.0000   0.0000  209.411   25.329  ?   ?  0.000000 25.32943 
1 1 1   -9   -8   27 o   52.209   19.816   25.718   35.606   15.894   83.093   27.928   39.408   68.067   28.670   54.635   20.821 13.43161 35.43284 
1 1 1   -9   -8   28 o  371.600   18.915  1781.96  174.941  2009.12  260.661  1595.78  235.983  388.192   27.058  345.353   27.594 42.83887 38.64669 
1 1 1   -9   -8   29 o  254.720   16.772  835.820  106.088  833.869  167.721  837.121  136.969  248.161   27.529  252.189   21.969 -4.028290 35.22001 
1 1 1   -9   -8   30 f   46.693   18.100   18.988   30.134 -29.3305   99.979   23.816   31.603   64.991   29.268   49.383   18.687 15.60787 34.72499 
1 1 1   -9   -8   31 o  171.563   15.978  383.448   67.667  439.591  133.089  363.875   78.581  174.079   31.787  165.500   19.381 8.578506 37.22964 
1 1 1   -9   -8   32 o  157.144   15.905  324.195   61.554  409.033  123.901  296.395   70.925  166.562   30.927  148.333   19.630 18.22870 36.63088 
1 1 1   -9   -8   33 o  130.648   16.447  227.614   52.469  342.984  119.915  200.297   58.351  148.137   33.234  120.619   20.078 27.51840 38.82798 
1 1 1   -9   -8   34 o  118.518   38.183  249.102  128.474  249.102  128.474   0.0000   0.0000  118.518   38.183  ?   ?  0.000000 38.18302 
1 1 1   -9   -8   35 o   47.509   18.126   24.054   29.890   25.462  117.965   23.958   30.899   72.063   32.172   47.848   18.388 24.21496 37.05633 
1 1 1   -9   -8   36 o   48.615   18.355   26.770   30.449 -121.4086  123.376   36.381   31.421   56.868   27.616   53.180   18.869 3.687550 33.44678 
1 1 1   -9   -8   37 o   73.278   19.944   78.984   37.472   35.743  136.889   82.486   38.960   73.298   33.495   74.701   20.338 -1.402832 39.18606 
1 1 1   -9   -8   38 o   55.038   19.581   41.427   33.859   0.0000   0.0000   41.427   33.859  ?   ?    55.038   19.581 0.000000 19.58096 
1 1 1   -9   -8   39 o   67.357   20.816   70.140   38.554   0.0000   0.0000   70.140   38.554  ?   ?    67.357   20.816 0.000000 20.81583 
1 1 1   -9   -7    1 o  939.268   60.292 11654.55  1406.70   0.0000   0.0000 11654.55  1406.70  ?   ?   939.268   60.292 0.000000 60.29222 
1 1 1   -9   -7    2 o  981.701   34.620 12243.65  848.710 12753.83  1471.21 11989.19  1039.03  983.442   60.196  966.926   43.031 16.51587 73.99516 
1 1 1   -9   -7    3 o  610.728   21.832  4688.61  332.966  5105.27  577.966  4481.63  407.358  632.396   36.757  595.951   27.372 36.44464 45.82936 
1 1 1   -9   -7    4 o  612.355   22.152  4713.77  338.741  4388.09  586.572  4876.73  414.923  584.951   40.404  621.896   26.718 -36.94513 48.43860 
1 1 1   -9   -7    5 o  931.772   32.980 11000.41  767.390 11240.05  1330.00 10880.82  939.558  926.472   57.775  923.157   40.757 3.314941 70.70379 
1 1 1   -9   -7    6 o  520.870   23.821  3413.36  309.845  3446.45  438.517  3380.36  437.857  520.312   33.936  515.195   34.229 5.116699 48.19984 
1 1 1   -9   -7    7 o  932.653   59.562 11417.79  1379.96 11417.79  1379.96   0.0000   0.0000  932.653   59.562  ?   ?  0.000000 59.56184 
1 1 1   -9   -7    8 o  738.865   32.600  6915.05  601.505  6818.54  850.466  7011.65  850.846  726.685   47.120  737.283   46.451 -10.59839 66.16637 
1 1 1   -9   -7    9 o  800.101   35.175  8131.67  702.798  7984.88  993.963  8278.43  993.851  784.019   51.047  798.938   50.068 -14.91870 71.50188 
1 1 1   -9   -7   10 o  526.835   24.103  3495.08  317.097  3545.45  449.177  3445.05  447.711  527.284   34.300  519.606   34.704 7.678467 48.79380 
1 1 1   -9   -7   11 o  797.106   35.082  8086.19  698.308  8220.38  988.466  7952.50  986.651  794.559   50.074  780.943   50.871 13.61530 71.38112 
1 1 1   -9   -7   12 o  437.789   20.810  2410.82  227.500  2420.19  322.854  2401.58  320.624  435.976   29.834  434.315   29.742 1.660675 42.12632 
1 1 1   -9   -7   13 o  260.295   21.310  858.930  137.303   0.0000   0.0000  858.930  137.303  ?   ?   260.295   21.310 0.000000 21.31025 
1 1 1   -9   -7   14 o  628.454   28.273  5018.80  443.702  5110.18  628.909  4928.23  626.080  627.356   40.358  615.696   40.954 11.65924 57.49815 
1 1 1   -9   -7   15 o  749.059   33.413  7205.87  625.011  7367.78  885.311  7044.99  882.494  745.409   47.813  727.933   48.831 17.47607 68.34123 
1 1 1   -9   -7   16 f  380.007   19.121  1827.11  180.870  1760.48  257.448  1892.04  254.161  370.193   28.058  384.367   26.644 -14.17395 38.69286 
1 1 1   -9   -7   17 o  414.102   20.072  2171.00  207.559  2230.60  295.969  2113.32  291.155  415.879   28.674  404.599   29.010 11.28018 40.78917 
1 1 1   -9   -7   18 o  117.407   23.135  181.611   65.417  181.611   65.417   0.0000   0.0000  117.407   23.135  ?   ?  0.000000 23.13523 
1 1 1   -9   -7   19 o  259.941   15.288  855.587   98.799  896.107  143.493  819.061  136.236  264.136   21.954  252.493   21.821 11.64287 30.95375 
1 1 1   -9   -7   20 o  475.366   22.742  2896.36  269.962  2888.36  384.529  2904.13  379.097  466.970   33.192  468.726   32.590 -1.756042 46.51682 
1 1 1   -9   -7   21 f  171.446   14.154  373.532   60.058  391.549   92.518  360.411   78.954  173.549   21.831  167.146   19.269 6.403015 29.11833 
1 1 1   -9   -7   22 o  175.387   19.172  396.729   82.600   0.0000   0.0000  396.729   82.600  ?   ?   175.387   19.172 0.000000 19.17171 
1 1 1   -9   -7   24 o  195.339   15.091  486.189   73.045  451.909  113.014  510.784   95.727  185.040   25.106  198.941   19.520 -13.90086 31.80191 
1 1 1   -9   -7   25 o  323.491   17.319  1336.43  139.395  1450.10  205.404  1239.38  189.790  333.144   24.870  307.846   24.901 25.29782 35.19346 
1 1 1   -9   -7   26 o  139.202   15.916  249.253   54.330  265.498   95.540  241.489   66.049  139.731   28.350  135.830   20.077 3.900879 34.73915 
1 1 1   -9   -7   27 o   90.539   31.035  103.723   84.566  103.723   84.566   0.0000   0.0000   90.539   31.035  ?   ?  0.000000 31.03540 
1 1 1   -9   -7   28 o  276.292   16.459  976.878  113.043  1076.10  175.176  906.078  147.977  285.755   24.795  263.169   22.740 22.58560 33.64358 
1 1 1   -9   -7   29 o  244.447   15.984  765.832   97.035  861.110  157.181  707.158  123.346  254.680   25.038  232.449   21.493 22.23100 32.99775 
1 1 1   -9   -7   30 o   95.789   18.283  121.992   42.139  229.796   96.585   96.647   46.831  127.455   30.709   84.400   21.997 43.05489 37.77413 
1 1 1   -9   -7   31 o  196.518   15.769  499.406   76.731  546.613  135.734  477.234   93.021  198.637   28.152  190.176   19.881 8.461533 34.46426 
1 1 1   -9   -7   32 o   80.389   19.494   88.256   38.731  147.604  107.017   79.310   41.547  101.045   34.897   76.066   21.122 24.97897 40.79151 
1 1 1   -9   -7   33 o  165.952   16.400  362.839   67.076  353.713  129.909  366.156   78.324  150.732   35.158  165.062   19.370 -14.33076 40.14082 
1 1 1   -9   -7   34 o  199.911   16.565  530.445   81.951  560.353  150.427  517.822   97.727  190.478   32.809  194.588   20.416 -4.110367 38.64247 
1 1 1   -9   -7   35 o  187.857   35.714  582.887  161.415  582.887  161.415   0.0000   0.0000  187.857   35.714  ?   ?  0.000000 35.71384 
1 1 1   -9   -7   36 o   87.899   19.084  109.449   40.688  203.549  125.253   98.348   43.021  105.142   37.634   82.391   20.883 22.75078 43.03934 
1 1 1   -9   -7   37 o   92.098   18.775  120.609   41.715  298.401  136.789  102.379   43.801  122.536   39.391   83.495   21.021 39.04130 44.64911 
1 1 1   -9   -7   38 o   68.545   20.061   69.072   36.526   85.280  149.588   68.044   37.667   80.167   35.977   67.957   20.492 12.20923 41.40413 
1 1 1   -9   -7   39 o  140.172   20.131  288.536   68.443   0.0000   0.0000  288.536   68.443  ?   ?   140.172   20.131 0.000000 20.13098 
1 1 1   -9   -6    1 o  580.824   26.151  4257.46  379.298  4246.57  536.076  4268.39  536.740  575.726   37.492  577.230   37.438 -1.504761 52.98341 
1 1 1   -9   -6    2 o  705.734   45.246  6436.02  793.189   0.0000   0.0000  6436.02  793.189  ?   ?   705.734   45.246 0.000000 45.24585 
1 1 1   -9   -6    3 o  891.111   31.573 10060.40  702.581 10365.24  1217.80  9908.32  860.166  889.988   55.066  880.954   39.100 9.033936 67.53558 
1 1 1   -9   -6    4 o   94.538   9.9467  112.981   23.130   71.775   40.807  132.485   28.075   74.595   21.011  102.313   11.170 -27.71764 23.79546 
1 1 1   -9   -6    5 o  478.803   18.068  2875.31  216.026  2898.59  374.725  2863.72  264.380  477.538   31.602  477.294   22.182 0.2435913 38.60975 
1 1 1   -9   -6    6 o  410.885   15.861  2115.10  162.748  2235.71  282.812  2055.38  199.000  420.234   27.094  404.674   19.692 15.55957 33.49451 
1 1 1   -9   -6    7 o  690.159   24.803  5995.95  427.460  5733.74  740.475  6127.01  523.496  667.472   44.683  696.324   30.106 -28.85248 53.87888 
1 1 1   -9   -6    8 o  522.103   34.379  3471.21  445.719  3471.21  445.719   0.0000   0.0000  522.103   34.379  ?   ?  0.000000 34.37881 
1 1 1   -9   -6    9 o  146.043   12.720  268.902   45.928  303.280   65.441  235.534   64.473  154.594   17.245  135.615   19.607 18.97873 26.11208 
1 1 1   -9   -6   10 o  350.866   17.714  1547.69  154.708  1596.55  219.523  1499.47  218.064  355.210   24.906  344.063   25.563 11.14624 35.68974 
1 1 1   -9   -6   11 o  209.141   13.726  549.972   71.290  554.230  101.975  545.901   99.702  209.176   19.756  207.628   19.456 1.547867 27.72840 
1 1 1   -9   -6   12 o  281.505   15.617  996.253  109.349  1014.02  155.851  979.026  153.464  283.033   22.229  278.067   22.288 4.966705 31.47861 
1 1 1   -9   -6   13 o  383.219   18.434  1844.37  176.411  2064.56  251.459  1630.98  247.552  403.701   25.067  357.985   27.912 45.71573 37.51629 
1 1 1   -9   -6   14 o  534.723   35.381  3672.29  469.774   0.0000   0.0000  3672.29  469.774  ?   ?   534.723   35.381 0.000000 35.38109 
1 1 1   -9   -6   15 o  385.608   18.903  1871.56  182.019  1946.32  259.280  1798.92  255.587  390.807   26.728  375.439   27.452 15.36813 38.31447 
1 1 1   -9   -6   16 o  209.521   14.167  553.474   73.687  545.203  106.772  560.995  101.821  206.752   20.970  210.021   19.643 -3.268463 28.73308 
1 1 1   -9   -6   17 o  555.622   25.435  3930.49  352.914  4056.17  501.033  3806.73  497.180  557.944   36.155  539.851   37.105 18.09283 51.80710 
1 1 1   -9   -6   18 o  170.796   13.842  369.063   58.529  361.628   86.899  375.237   79.183  167.578   21.243  171.292   18.822 -3.714401 28.38152 
1 1 1   -9   -6   19 o  443.532   31.258  2565.90  343.995  2565.90  343.995   0.0000   0.0000  443.532   31.258  ?   ?  0.000000 31.25824 
1 1 1   -9   -6   20 o  335.974   17.678  1433.74  147.798  1459.94  212.253  1409.08  205.928  336.007   25.486  330.214   25.162 5.792969 35.81445 
1 1 1   -9   -6   21 o  265.977   15.776  897.664  104.317  897.727  152.344  897.609  143.138  263.492   23.396  264.030   21.907 -0.5375061 32.05195 
1 1 1   -9   -6   22 o  446.924   21.778  2559.55  243.054  2559.05  346.881  2560.03  340.663  439.592   31.814  440.157   31.195 -0.5647278 44.55680 
1 1 1   -9   -6   23 o   91.913   17.814  110.932   39.410   96.185   69.416  117.946   47.874   86.661   28.082   94.229   20.893 -7.567955 35.00205 
1 1 1   -9   -6   24 o  314.693   24.373  1288.40  190.042   0.0000   0.0000  1288.40  190.042  ?   ?   314.693   24.373 0.000000 24.37323 
1 1 1   -9   -6   25 o  180.773   15.430  417.088   68.987  323.814  107.695  481.997   89.839  154.809   28.921  193.447   18.836 -38.63786 34.51461 
1 1 1   -9   -6   26 o  172.799   15.218  381.327   64.999  337.543  106.300  407.473   82.145  158.389   27.895  177.659   18.802 -19.27019 33.63935 
1 1 1   -9   -6   27 o  305.607   17.552  1194.80  133.391  1167.23  198.475  1217.51  180.141  297.244   27.034  305.483   23.802 -8.239197 36.01948 
1 1 1   -9   -6   28 o  163.056   27.289  358.017  107.187  358.017  107.187   0.0000   0.0000  163.056   27.289  ?   ?  0.000000 27.28866 
1 1 1   -9   -6   29 o  253.621   16.257  823.218  102.421  859.450  160.308  798.226  133.138  254.735   25.545  247.357   21.776 7.378433 33.56699 
1 1 1   -9   -6   30 o  182.840   15.439  429.117   69.833  495.299  122.070  396.922   85.140  191.966   26.144  174.223   19.928 17.74333 32.87335 
1 1 1   -9   -6   31 o   91.396   19.220  112.005   42.476  137.867   99.512  106.243   46.970  100.315   33.670   88.469   21.477 11.84589 39.93629 
1 1 1   -9   -6   32 o  130.838   17.561  225.381   55.927   90.457  110.976  271.314   64.751   89.088   34.678  143.351   18.521 -54.26287 39.31446 
1 1 1   -9   -6   33 o   61.916   19.920   50.128   34.976  121.665  117.583   43.184   36.634   95.294   36.048   59.082   20.417 36.21175 41.42871 
1 1 1   -9   -6   34 o  219.462   16.860  635.312   91.691  641.059  160.954  632.550  111.564  206.932   32.194  215.910   20.956 -8.977753 38.41364 
1 1 1   -9   -6   35 o  131.420   17.330  232.688   55.487  234.915  129.223  232.185   61.440  116.855   38.340  130.051   19.521 -13.19563 43.02322 
1 1 1   -9   -6   36 o  187.162   37.003  592.034  166.816  592.034  166.816   0.0000   0.0000  187.162   37.003  ?   ?  0.000000 37.00314 
1 1 1   -9   -6   37 o  140.650   17.755  271.829   60.971  222.066  143.594  282.774   67.343  106.960   39.967  142.224   19.473 -35.26456 44.45811 
1 1 1   -9   -6   38 o  113.835   18.424  182.106   50.584  206.906  150.906  178.967   53.691  100.623   40.048  111.787   19.966 -11.16438 44.74881 
1 1 1   -9   -6   39 o   78.512   20.550   91.784   40.760   90.316  160.176   91.885   42.147   81.022   36.715   78.268   21.089 2.754738 42.34071 
1 1 1   -9   -6   40 o  105.479   20.537  166.445   52.149   0.0000   0.0000  166.445   52.149  ?   ?   105.479   20.537 0.000000 20.53715 
1 1 1   -9   -5    1 o  484.484   15.784  2942.80  190.964  2935.86  270.046  2949.74  270.081  482.912   22.393  484.061   22.343 -1.149048 31.63345 
1 1 1   -9   -5    2 o  898.404   39.388 10325.83  883.661 10234.53  1249.22 10417.27  1250.15  881.319   57.068  889.579   56.571 -8.259705 80.35532 
1 1 1   -9   -5    3 o  364.602   12.639  1663.88  115.079  1707.40  162.872  1620.49  162.621  368.909   17.680  358.892   18.205 10.01773 25.37693 
1 1 1   -9   -5    4 o  290.970   12.272  1059.44   89.172  1213.69  155.445  983.780  108.867  310.205   20.176  279.762   15.646 30.44357 25.53200 
1 1 1   -9   -5    5 o  256.178   11.829  821.031   75.670  763.867  131.409  849.390   92.556  245.598   21.648  260.055   14.307 -14.45760 25.94861 
1 1 1   -9   -5    6 o  193.186   10.492  468.059   50.426  479.071   88.378  462.743   61.401  194.574   18.408  191.865   12.890 2.708496 22.47223 
1 1 1   -9   -5    7 o  1161.11   41.003 17209.57  1188.89 17205.17  2059.64 17211.78  1455.93  1132.32   73.232  1154.69   50.492 -22.36230 88.95194 
1 1 1   -9   -5    8 o  273.591   12.319  936.461   84.165  780.872  146.042  1013.84  102.987  248.034   23.873  284.188   14.561 -36.15381 27.96349 
1 1 1   -9   -5    9 o  665.696   29.595  5596.87  491.981  5296.73  695.907  5896.76  695.625  641.945   43.671  678.503   41.251 -36.55859 60.07350 
1 1 1   -9   -5   10 o  444.441   20.857  2480.66  231.487  2635.65  328.042  2326.93  326.705  456.007   28.958  427.934   30.778 28.07367 42.25910 
1 1 1   -9   -5   11 o  478.998   22.232  2884.34  265.926  2971.60  376.765  2797.72  375.390  483.593   31.368  468.936   32.253 14.65680 44.99120 
1 1 1   -9   -5   12 o  497.183   22.938  3110.12  284.790  3191.62  403.605  3029.30  401.908  500.749   32.451  487.575   33.207 13.17386 46.43030 
1 1 1   -9   -5   13 o  202.724   13.791  517.039   69.402  507.812   99.606  525.746   96.755  200.025   20.219  203.714   19.248 -3.689209 27.91560 
1 1 1   -9   -5   14 o  818.384   36.018  8552.88  736.080  8815.95  1042.16  8291.01  1039.79  820.298   51.130  794.240   52.725 26.05786 73.44566 
1 1 1   -9   -5   15 o  250.835   21.066  798.026  130.734   0.0000   0.0000  798.026  130.734  ?   ?   250.835   21.066 0.000000 21.06640 
1 1 1   -9   -5   16 o  614.266   27.824  4795.82  426.804  4770.25  604.766  4821.19  602.425  605.662   40.214  609.133   39.823 -3.470093 56.59592 
1 1 1   -9   -5   17 o  179.868   13.674  408.296   60.958  445.663   89.851  376.430   82.974  186.983   19.531  171.645   19.716 15.33794 27.75227 
1 1 1   -9   -5   18 o  354.413   18.178  1588.64  160.344  1595.57  228.796  1581.96  224.777  352.797   26.156  351.408   25.795 1.389404 36.73606 
1 1 1   -9   -5   19 o  230.412   14.686  670.762   84.060  687.767  122.249  655.510  115.774  231.834   21.356  226.455   20.702 5.378693 29.74323 
1 1 1   -9   -5   20 f  429.768   30.573  2407.67  325.970  2407.67  325.970   0.0000   0.0000  429.768   30.573  ?   ?  0.000000 30.57272 
1 1 1   -9   -5   21 o  203.668   19.841  532.306   99.630   0.0000   0.0000  532.306   99.630  ?   ?   203.668   19.841 0.000000 19.84113 
1 1 1   -9   -5   22 o  117.134   15.053  176.071   43.012  280.366   70.187  113.347   54.430  147.174   19.584   92.218   23.552 54.95576 30.63042 
1 1 1   -9   -5   23 o  269.135   15.517  919.383  103.842  1032.87  152.606  821.524  141.710  283.160   21.748  251.975   22.767 31.18474 31.48519 
1 1 1   -9   -5   24 o  162.245   14.429  335.187   57.851  331.820   92.382  337.360   74.201  158.758   24.056  161.718   18.720 -2.959915 30.48162 
1 1 1   -9   -5   25 o  146.821   18.742  279.038   67.147   0.0000   0.0000  279.038   67.147  ?   ?   146.821   18.742 0.000000 18.74170 
1 1 1   -9   -5   26 o   91.826   17.901  110.910   39.573   62.640   71.961  131.835   47.380   76.544   28.354   99.903   19.692 -23.35950 34.52108 
1 1 1   -9   -5   27 o  114.891   16.168  170.747   45.102  187.484   81.858  163.451   54.046  117.275   28.280  111.339   20.182 5.935226 34.74289 
1 1 1   -9   -5   28 o  158.859   15.469  323.196   60.589  298.192  102.978  336.435   74.931  148.124   28.877  161.118   18.988 -12.99403 34.56094 
1 1 1   -9   -5   29 o  230.183   15.643  676.454   89.382  777.999  140.625  607.621  115.779  243.754   23.390  215.869   21.775 27.88538 31.95682 
1 1 1   -9   -5   30 o  226.813   15.933  658.532   89.672  696.149  145.228  635.354  114.000  228.791   25.874  220.817   20.923 7.974487 33.27539 
1 1 1   -9   -5   31 o  224.985   15.811  649.481   88.269  737.773  146.366  599.016  110.656  235.132   25.327  213.843   20.993 21.28899 32.89599 
1 1 1   -9   -5   32 o  308.570   17.821  1233.48  136.736  1318.27  211.596  1172.69  179.173  311.491   27.484  296.196   24.442 15.29556 36.78059 
1 1 1   -9   -5   33 o  147.873   16.535  285.850   60.013  276.582  118.654  289.035   69.567  136.003   34.795  147.518   19.351 -11.51540 39.81433 
1 1 1   -9   -5   34 o  189.136   20.010  478.925   93.074   0.0000   0.0000  478.925   93.074  ?   ?   189.136   20.010 0.000000 20.00997 
1 1 1   -9   -5   35 o   83.609   19.948   97.201   41.067   67.130  112.232  101.849   44.127   81.426   33.734   85.292   20.885 -3.866028 39.67579 
1 1 1   -9   -5   36 o  141.910   17.411  271.544   60.405  220.251  131.801  285.183   67.963  112.463   38.734  144.268   19.353 -31.80450 43.29990 
1 1 1   -9   -5   37 o  102.057   38.397  184.521  132.981  184.521  132.981   0.0000   0.0000  102.057   38.397  ?   ?  0.000000 38.39713 
1 1 1   -9   -5   38 o  117.057   18.909  191.718   53.389  134.389  147.606  200.347   57.266   90.945   38.254  118.994   19.980 -28.04977 43.15757 
1 1 1   -9   -5   39 o   82.907   20.649  100.934   42.590   86.051  149.797  102.243   44.424   81.969   36.447   83.092   21.308 -1.123207 42.21870 
1 1 1   -9   -5   40 o  183.533   17.738  472.365   80.283  631.861  189.714  437.573   88.608  167.941   44.517  173.026   20.933 -5.084518 49.19309 
1 1 1   -9   -5   41 o   80.533   21.235  100.060   43.315   0.0000   0.0000  100.060   43.315  ?   ?    80.533   21.235 0.000000 21.23519 
1 1 1   -9   -4    1 o  337.424   11.936  1425.06  100.571  1438.60  142.244  1411.52  142.214  338.617   16.822  334.964   17.058 3.653229 23.95740 
1 1 1   -9   -4    2 o  612.194   27.163  4737.03  415.252  5212.47  587.867  4263.56  586.646  637.852   37.067  574.960   41.131 62.89240 55.36858 
1 1 1   -9   -4    3 o  112.041   11.120  158.585   30.701  111.912   42.093  211.633   44.876   92.759   18.816  129.223   14.137 -36.46415 23.53501 
1 1 1   -9   -4    4 o  797.750   24.199  8016.95  482.078  7816.36  681.508  8217.83  682.014  784.012   34.810  804.246   33.959 -20.23444 48.63035 
1 1 1   -9   -4    5 o  451.331   14.865  2551.55  167.542  2529.29  236.947  2573.81  236.934  448.623   21.150  452.580   20.964 -3.957123 29.77991 
1 1 1   -9   -4    6 o  351.039   14.160  1542.90  124.127  1621.93  215.648  1503.75  151.795  358.156   24.254  345.848   17.635 12.30814 29.98758 
1 1 1   -9   -4    7 o  1097.13   37.857 15318.15  1037.17 16670.86  1799.09 14644.79  1269.34  1123.11   64.417  1066.88   47.644 56.22729 80.12172 
1 1 1   -9   -4    8 o  639.798   21.034  5140.65  336.065  6044.58  584.472  4694.19  410.756  690.602   33.891  610.256   26.954 80.34595 43.30255 
1 1 1   -9   -4    9 o  1025.42   36.216 13351.79  927.370 13500.85  1606.97 13277.36  1135.54  1011.70   63.936  1018.13   44.663 -6.430176 77.99062 
1 1 1   -9   -4   10 o  351.721   16.942  1550.38  148.804  1771.40  212.176  1336.45  208.746  374.716   22.783  324.732   25.959 49.98386 34.53883 
1 1 1   -9   -4   11 f  1122.28   39.619 16054.61  1110.33 15960.19  1923.67 16101.78  1359.69  1092.81   70.873  1118.09   48.698 -25.28027 85.99148 
1 1 1   -9   -4   12 o  930.061   32.928 10962.75  764.755 10965.62  1325.43 10961.32  936.335  914.218   58.362  926.505   40.470 -12.28723 71.02052 
1 1 1   -9   -4   13 o  578.550   26.155  4221.41  377.873  4269.40  535.024  4173.64  533.766  577.740   37.283  571.066   37.641 6.673584 52.97973 
1 1 1   -9   -4   14 o  558.921   25.429  3941.07  354.917  3958.27  502.620  3923.96  501.239  556.037   36.399  553.587   36.463 2.449829 51.52081 
1 1 1   -9   -4   15 o  1153.60   51.142 17401.50  1473.26 17521.34  2084.32 17281.84  2082.69  1127.76   74.430  1119.27   74.947 8.483398 105.6261 
1 1 1   -9   -4   16 o  223.990   20.182  636.741  111.673   0.0000   0.0000  636.741  111.673  ?   ?   223.990   20.182 0.000000 20.18168 
1 1 1   -9   -4   17 o  503.749   23.292  3209.92  293.004  3335.96  415.938  3085.76  412.821  509.318   32.879  489.276   33.999 20.04211 47.29605 
1 1 1   -9   -4   18 o  199.652   14.046  502.892   69.581  500.789  101.539  504.754   95.539  198.010   20.848  199.084   19.467 -1.074127 28.52358 
1 1 1   -9   -4   19 o  399.042   19.596  2013.24  195.271  2053.02  278.327  1974.68  274.032  399.453   28.081  391.670   28.206 7.782654 39.80111 
1 1 1   -9   -4   20 o  392.118   19.214  1946.85  188.142  2079.20  269.179  1820.43  263.072  401.694   26.991  375.181   28.287 26.51306 39.09847 
1 1 1   -9   -4   21 o  581.341   39.866  4528.48  575.249  4528.48  575.249   0.0000   0.0000  581.341   39.866  ?   ?  0.000000 39.86628 
1 1 1   -9   -4   22 o  410.794   20.306  2149.19  208.308  2141.69  297.401  2156.41  291.862  404.679   29.636  406.497   28.941 -1.818390 41.42281 
1 1 1   -9   -4   23 o  226.433   14.578  649.890   81.994  719.940  122.571  593.156  110.309  236.552   20.967  214.587   20.848 21.96468 29.56802 
1 1 1   -9   -4   24 o  262.315   15.697  873.870  102.354  893.079  151.072  857.571  139.161  262.588   23.280  257.843   21.817 4.744995 31.90562 
1 1 1   -9   -4   25 o  228.659   14.765  663.742   83.858  733.607  126.560  609.062  111.964  238.321   21.497  217.194   20.901 21.12727 29.98336 
1 1 1   -9   -4   26 o  276.657   22.570  990.967  154.567   0.0000   0.0000  990.967  154.567  ?   ?   276.657   22.570 0.000000 22.56974 
1 1 1   -9   -4   27 o   87.115   18.015  100.087   37.897  152.902   72.246   80.037   44.513  106.243   27.134   77.808   21.954 28.43521 34.90352 
1 1 1   -9   -4   28 o  186.159   15.170  442.003   69.907  435.530  111.565  446.187   89.702  181.474   25.307  185.747   19.636 -4.272888 32.03197 
1 1 1   -9   -4   29 o  253.875   15.737  821.562   99.275  945.289  154.259  734.089  129.705  269.293   23.164  237.547   22.120 31.74670 32.02921 
1 1 1   -9   -4   30 o  128.721   17.037  214.768   53.417  242.114   99.636  203.738   63.280  132.271   30.748  124.114   21.177 8.157028 37.33534 
1 1 1   -9   -4   31 o  378.740   19.815  1853.88  186.754  1922.19  275.551  1795.84  253.986  378.127   29.413  366.691   27.947 11.43549 40.57338 
1 1 1   -9   -4   32 o  437.702   21.516  2498.11  235.178  2702.79  345.435  2321.27  321.083  444.031   31.355  411.205   31.508 32.82602 44.45091 
1 1 1   -9   -4   33 o   73.352   20.876   72.477   40.071 -33.9527   98.912   93.373   43.828   64.000   28.940   82.834   21.123 -18.83403 35.82864 
1 1 1   -9   -4   34 o  153.463   17.073  309.108   64.320  221.468  123.912  341.431   75.252  120.236   37.344  160.396   19.168 -40.15921 41.97592 
1 1 1   -9   -4   35 o  220.479   21.119  656.356  114.851   0.0000   0.0000  656.356  114.851  ?   ?   220.479   21.119 0.000000 21.11858 
1 1 1   -9   -4   36 o  147.707   16.873  290.816   61.118  354.606  135.069  274.392   68.536  147.426   36.803  141.723   19.915 5.702728 41.84566 
1 1 1   -9   -4   37 o   66.352   20.424   61.185   37.159   6.9188  120.804   66.856   39.053   71.820   32.274   69.039   20.877 2.780724 38.43764 
1 1 1   -9   -4   38 o  157.842   17.889  340.061   69.268  355.046  151.352  336.091   77.905  136.855   41.035  154.792   20.671 -17.93626 45.94742 
1 1 1   -9   -4   39 o   75.395   20.697   82.571   40.153   79.691  144.475   82.812   41.800   82.445   36.264   75.311   21.283 7.134148 42.04852 
1 1 1   -9   -4   40 o  123.125   18.707  214.251   55.708  296.648  165.990  203.792   59.137  113.256   42.834  118.515   20.737 -5.258186 47.58945 
1 1 1   -9   -4   41 o  128.029   19.029  235.870   58.987  258.376  182.472  233.243   62.334   99.765   42.279  126.012   20.515 -26.24625 46.99292 
1 1 1   -9   -3    1 o  169.525   8.5775  360.213   36.193  348.844   51.132  371.630   51.238  166.467   12.389  171.886   12.013 -5.419327 17.25664 
1 1 1   -9   -3    2 f  587.317   18.232  4331.45  267.401  4281.13  378.062  4381.82  378.261  582.193   26.004  589.074   25.714 -6.881531 36.57100 
1 1 1   -9   -3    3 o  430.819   18.751  2330.91  201.729  1763.90  283.544  2912.08  287.064  371.739   30.822  480.674   23.915 -108.9349 39.01245 
1 1 1   -9   -3    4 o  398.680   13.484  1990.22  134.247  2010.06  189.883  1970.38  189.826  400.104   19.005  396.113   19.190 3.990784 27.00843 
1 1 1   -9   -3    5 o  345.536   12.204  1494.07  105.308  1522.20  148.965  1465.96  148.890  348.401   17.122  341.427   17.522 6.973877 24.49863 
1 1 1   -9   -3    6 o  451.172   14.785  2549.48  166.571  2552.11  235.535  2546.85  235.600  450.704   20.927  450.236   20.955 0.4679260 29.61512 
1 1 1   -9   -3    7 o  542.079   19.363  3687.68  262.108  3996.00  455.024  3534.58  320.649  560.766   32.635  529.947   24.230 30.81866 40.64626 
1 1 1   -9   -3    8 o  842.459   29.921  8965.87  629.465  8920.20  1090.60  8988.69  770.816  828.597   52.985  841.069   36.700 -12.47241 64.45375 
1 1 1   -9   -3    9 o  939.666   32.710 11177.12  767.554 11948.97  1331.15 10792.68  939.455  957.681   55.904  919.839   40.899 37.84198 69.26794 
1 1 1   -9   -3   10 o  1145.17   39.884 16707.92  1140.56 17234.62  1976.72 16445.05  1396.47  1138.04   69.894  1130.05   49.486 7.992188 85.63921 
1 1 1   -9   -3   11 o  495.644   22.951  3088.26  284.063  2871.26  402.127  3304.39  401.325  474.798   34.144  510.195   31.656 -35.39783 46.56093 
1 1 1   -9   -3   12 o  295.269   12.775  1090.94   94.198  1152.02  164.550  1061.16  114.885  301.998   21.970  290.610   15.891 11.38800 27.11464 
1 1 1   -9   -3   13 o  1024.19   36.013 13334.88  921.052 12836.88  1595.25 13583.90  1128.07  983.227   65.344  1029.26   43.889 -46.03680 78.71532 
1 1 1   -9   -3   14 o  283.865   12.754  1008.57   90.405  864.635  157.919  1078.73  110.261  260.853   24.531  293.042   15.119 -32.18848 28.81604 
1 1 1   -9   -3   15 o  1025.86   45.037 13582.29  1153.74 13959.37  1632.89 13206.38  1630.37  1021.23   64.359  991.244   66.247 29.98584 92.36185 
1 1 1   -9   -3   16 o  843.564   37.245  9118.36  784.579  9271.71  1110.52  8965.53  1108.60  838.020   53.344  823.278   54.227 14.74152 76.06712 
1 1 1   -9   -3   17 f  314.426   23.841  1256.63  185.805   0.0000   0.0000  1256.63  185.805  ?   ?   314.426   23.841 0.000000 23.84141 
1 1 1   -9   -3   18 o  293.739   16.191  1087.71  118.305  1101.24  169.452  1074.85  165.245  294.089   23.264  290.595   22.958 3.492950 32.68459 
1 1 1   -9   -3   19 o  287.248   16.021  1041.20  114.463  1076.52  164.231  1007.83  159.618  290.548   22.819  281.039   22.944 9.509155 32.35945 
1 1 1   -9   -3   20 f  487.922   22.755  3025.64  277.253  3189.88  395.197  2866.46  389.065  495.783   32.093  469.123   33.430 26.65930 46.34119 
1 1 1   -9   -3   21 o  459.285   21.825  2683.86  250.311  2775.50  356.390  2594.64  351.643  461.735   31.090  445.967   31.783 15.76822 44.46073 
1 1 1   -9   -3   22 f  423.215   30.335  2339.40  318.470  2339.40  318.470   0.0000   0.0000  423.215   30.335  ?   ?  0.000000 30.33526 
1 1 1   -9   -3   23 o  472.992   22.427  2862.89  264.898  2967.68  377.490  2761.22  371.820  474.710   32.031  457.276   32.779 17.43356 45.83075 
1 1 1   -9   -3   24 o  425.174   20.836  2308.82  221.221  2323.96  316.297  2294.32  309.522  420.405   30.332  418.036   29.846 2.369141 42.55393 
1 1 1   -9   -3   25 o  276.654   15.950  972.224  109.724  1024.35  160.809  926.817  150.091  281.428   23.085  267.782   22.658 13.64664 32.34653 
1 1 1   -9   -3   26 o  166.146   14.477  351.399   59.466  355.157   94.067  348.897   76.747  164.524   23.569  164.413   19.045 0.1104126 30.30256 
1 1 1   -9   -3   27 o  166.548   19.274  358.426   78.679   0.0000   0.0000  358.426   78.679  ?   ?   166.548   19.274 0.000000 19.27378 
1 1 1   -9   -3   28 o  285.417   16.665  1038.11  118.258  1046.91  175.335  1030.76  160.176  283.086   25.062  281.879   22.955 1.206879 33.98546 
1 1 1   -9   -3   29 o  225.178   15.011  645.189   83.927  778.932  132.844  556.346  108.272  245.038   21.942  207.054   21.241 37.98390 30.53920 
1 1 1   -9   -3   30 o  204.233   15.514  532.443   78.532  568.517  126.979  510.097   99.937  207.609   24.995  198.278   20.479 9.330795 32.31279 
1 1 1   -9   -3   31 o  334.666   17.540  1434.82  146.075  1734.13  219.602  1197.29  195.632  363.875   24.307  300.873   26.302 63.00259 35.81429 
1 1 1   -9   -3   32 o  215.665   16.003  596.565   85.571  647.091  141.041  567.132  107.647  219.982   26.190  208.281   20.982 11.70071 33.55823 
1 1 1   -9   -3   33 o  129.211   17.916  218.871   56.251  150.172  114.025  240.968   64.668  104.710   36.030  135.027   19.764 -30.31735 41.09453 
1 1 1   -9   -3   34 o   84.727   20.433   97.695   42.729  101.721  105.218   96.900   46.759   90.840   34.159   84.113   22.008 6.727356 40.63454 
1 1 1   -9   -3   35 o  261.336   16.955  891.828  110.050  1029.52  184.142  815.323  137.259  271.546   27.536  245.693   22.626 25.85274 35.63966 
1 1 1   -9   -3   36 o  147.988   19.718  296.100   71.056   0.0000   0.0000  296.100   71.056  ?   ?   147.988   19.718 0.000000 19.71814 
1 1 1   -9   -3   37 o  265.908   17.637  943.216  116.450  1078.12  199.677  873.683  143.352  268.564   30.303  250.160   23.212 18.40474 38.17181 
1 1 1   -9   -3   38 o  126.274   18.318  218.248   56.076  165.997  140.185  228.201   61.184   99.518   38.910  128.306   19.728 -28.78810 43.62502 
1 1 1   -9   -3   39 o  155.396   17.910  330.277   68.227  378.224  158.557  319.382   75.582  139.500   42.040  150.737   20.620 -11.23694 46.82422 
1 1 1   -9   -3   40 o  106.526   19.197  160.596   49.189  373.654  159.731  138.275   51.701  134.137   42.508   97.013   21.864 37.12358 47.80174 
1 1 1   -9   -3   41 o  110.357   20.908  178.369   55.510   0.0000   0.0000  178.369   55.510  ?   ?   110.357   20.908 0.000000 20.90820 
1 1 1   -9   -3   42 o   51.167   19.789   30.902   35.958   48.659  181.246   30.175   36.687   76.344   36.084   51.097   19.925 25.24692 41.22010 
1 1 1   -9   -2    1 f  463.412   15.191  2692.49  175.799  2664.71  248.572  2720.30  248.664  460.037   21.638  464.849   21.421 -4.812103 30.44773 
1 1 1   -9   -2    2 o  599.290   18.674  4511.61  279.461  4374.33  395.016  4649.18  395.419  588.192   26.893  606.609   26.103 -18.41669 37.47853 
1 1 1   -9   -2    3 o  651.960   29.051  5382.47  472.964  5362.42  668.584  5402.56  669.160  644.734   41.751  647.212   41.624 -2.478027 58.95478 
1 1 1   -9   -2    4 o  612.398   27.440  4739.12  419.634  4764.75  593.229  4713.45  593.675  609.118   39.209  605.708   39.465 3.410034 55.63113 
1 1 1   -9   -2    5 o  532.727   17.056  3559.19  226.896  3508.45  320.773  3610.01  320.986  527.710   24.342  535.358   24.010 -7.648254 34.19059 
1 1 1   -9   -2    6 o  338.983   12.076  1437.78  102.226  1444.55  144.562  1431.01  144.578  338.991   17.133  337.384   17.218 1.606903 24.28941 
1 1 1   -9   -2    7 o  210.858   9.3194  555.802   49.072  575.177   69.426  536.459   69.369  213.983   13.055  206.581   13.522 7.401840 18.79542 
1 1 1   -9   -2    8 f  751.843   23.035  7107.57  432.474  7209.92  611.724  7005.30  611.498  754.641   32.461  743.707   32.926 10.93372 46.23710 
1 1 1   -9   -2    9 o  1130.64   39.846 16287.96  1125.01 16709.05  1949.63 16077.75  1377.48  1120.15   70.051  1117.34   49.368 2.811401 85.69930 
1 1 1   -9   -2   10 o  522.475   19.199  3424.36  250.491  3056.02  433.593  3608.88  306.883  489.541   35.715  535.834   22.935 -46.29294 42.44466 
1 1 1   -9   -2   11 o  747.295   32.149  7064.48  599.952  7781.47  850.528  6354.43  846.408  778.795   43.913  701.385   48.625 77.41028 65.51902 
1 1 1   -9   -2   12 o  1218.20   53.303 19211.80  1621.51 18504.16  2292.62 19920.11  2293.70  1168.95   79.002  1216.66   75.873 -47.70081 109.5359 
1 1 1   -9   -2   13 o  361.615   14.813  1637.55  133.768  1495.48  232.271  1708.06  163.629  343.310   27.319  369.081   17.754 -25.77142 32.58104 
1 1 1   -9   -2   14 o  303.315   13.045  1151.49   98.807  1243.32  173.173  1107.17  120.313  313.681   22.252  296.776   16.297 16.90527 27.58146 
1 1 1   -9   -2   15 o  334.987   13.978  1405.38  116.933  1494.63  204.750  1362.18  142.448  343.634   24.011  329.072   17.396 14.56125 29.65095 
1 1 1   -9   -2   16 o  407.703   16.014  2084.69  163.038  1788.62  283.260  2231.37  199.375  374.268   30.575  421.428   18.945 -47.16052 35.96840 
1 1 1   -9   -2   17 o  272.434   12.612  929.662   85.803  593.976  150.028  1092.83  104.598  214.535   28.725  295.252   14.187 -80.71631 32.03755 
1 1 1   -9   -2   18 o  456.264   31.116  2669.00  352.413   0.0000   0.0000  2669.00  352.413  ?   ?   456.264   31.116 0.000000 31.11604 
1 1 1   -9   -2   19 o  212.186   19.806  572.875  103.733   0.0000   0.0000  572.875  103.733  ?   ?   212.186   19.806 0.000000 19.80610 
1 1 1   -9   -2   20 o  554.318   37.388  4020.66  514.517  4020.66  514.517   0.0000   0.0000  554.318   37.388  ?   ?  0.000000 37.38823 
1 1 1   -9   -2   21 o  190.184   13.877  457.163   65.449  481.850   96.491  436.126   89.072  194.000   20.214  184.602   19.623 9.397369 28.17234 
1 1 1   -9   -2   22 o  443.831   21.368  2506.48  236.826  2528.64  336.955  2484.86  332.926  440.407   30.833  436.623   30.730 3.783844 43.53198 
1 1 1   -9   -2   23 o  167.507   21.553  363.367   88.066  363.367   88.066   0.0000   0.0000  167.507   21.553  ?   ?  0.000000 21.55346 
1 1 1   -9   -2   24 o  516.258   24.357  3427.00  314.004  3440.44  446.631  3413.86  441.551  508.145   35.419  506.427   35.132 1.718170 49.88765 
1 1 1   -9   -2   25 o  412.703   20.421  2173.80  210.463  2180.55  301.006  2167.35  294.383  407.463   29.789  406.621   29.186 0.8418884 41.70365 
1 1 1   -9   -2   26 o  245.882   15.439  767.772   94.316  775.831  139.268  760.945  128.186  244.687   23.065  242.943   21.346 1.744415 31.42636 
1 1 1   -9   -2   27 o  307.274   17.305  1202.89  132.246  1161.14  192.772  1240.01  181.761  298.102   26.160  309.331   23.711 -11.22937 35.30656 
1 1 1   -9   -2   28 o  119.555   20.075  187.362   57.810   0.0000   0.0000  187.362   57.810  ?   ?   119.555   20.075 0.000000 20.07516 
1 1 1   -9   -2   29 o  223.097   15.435  633.578   85.459  662.986  132.773  612.777  111.664  225.286   23.969  217.698   20.793 7.587692 31.73126 
1 1 1   -9   -2   30 f  296.847   16.643  1123.70  122.876  1276.53  185.287  1003.73  164.169  313.086   23.879  277.409   23.933 35.67664 33.80806 
1 1 1   -9   -2   31 o  126.422   16.912  206.968   52.054  233.582   99.016  196.803   61.192  130.032   30.941  122.135   20.810 7.897392 37.28822 
1 1 1   -9   -2   32 o  103.911   19.946  143.304   49.874  140.020   96.402  144.504   58.280  102.029   33.097  103.529   23.126 -1.500420 40.37604 
1 1 1   -9   -2   33 o  415.227   20.111  2231.64  208.531  2589.15  309.213  1933.40  282.420  438.939   28.362  377.280   30.230 61.65924 41.45189 
1 1 1   -9   -2   34 o  279.918   17.590  1014.63  122.331  1012.41  191.176  1016.16  159.189  271.886   28.586  276.482   23.273 -4.596008 36.86153 
1 1 1   -9   -2   35 o  270.411   17.329  952.024  116.403  1029.03  189.310  905.214  147.604  272.291   28.252  259.665   23.001 12.62619 36.43159 
1 1 1   -9   -2   36 o  208.031   17.502  569.606   90.075  448.688  157.282  628.621  109.879  169.068   38.159  216.548   20.566 -47.48019 43.34819 
1 1 1   -9   -2   37 o  129.164   19.985  227.801   62.380   0.0000   0.0000  227.801   62.380  ?   ?   129.164   19.985 0.000000 19.98529 
1 1 1   -9   -2   38 o   41.203   17.576   3.3045   31.901   72.707  122.057  -1.7840   33.050   82.619   34.771   40.309   17.546 42.31002 38.94728 
1 1 1   -9   -2   39 o   89.844   20.164  114.344   44.130  130.752  137.376  112.456   46.599   92.577   37.724   88.536   21.330 4.040649 43.33654 
1 1 1   -9   -2   40 o   64.428   21.308   57.839   39.887   96.236  143.663   54.632   41.519   85.704   36.943   63.231   21.742 22.47277 42.86601 
1 1 1   -9   -2   41 o   92.229   21.843  125.814   49.531   0.0000   0.0000  125.814   49.531  ?   ?    92.229   21.843 0.000000 21.84285 
1 1 1   -9   -2   42 o  109.735   19.889  174.858   52.495  263.009  178.842  166.547   54.914  103.076   42.634  105.792   21.519 -2.715576 47.75702 
1 1 1   -9   -1    1 o  686.477   21.289  5931.34  364.957  5892.43  516.043  5970.27  516.210  681.429   30.326  685.985   30.134 -4.555298 42.75209 
1 1 1   -9   -1    2 o  262.194   14.429  864.048   94.110  774.239  132.452  955.614  133.741  247.080   21.686  275.049   19.600 -27.96835 29.23096 
1 1 1   -9   -1    3 o  279.470   15.115  981.774  105.094  947.152  148.115  1016.88  149.141  273.469   21.872  283.531   21.218 -10.06241 30.47280 
1 1 1   -9   -1    4 o  363.424   17.847  1657.62  161.966  1602.43  228.546  1713.30  229.567  355.398   25.931  367.717   25.151 -12.31906 36.12464 
1 1 1   -9   -1    5 o  715.738   21.783  6442.88  389.327  6299.84  550.393  6586.13  550.789  705.054   31.261  721.123   30.586 -16.06952 43.73502 
1 1 1   -9   -1    6 o  892.265   27.330 10048.97  608.943 10104.87  861.221  9993.08  861.131  889.903   38.754  884.860   38.971 5.042908 54.96054 
1 1 1   -9   -1    7 o  355.524   12.327  1581.53  109.444  1637.75  154.879  1525.46  154.676  361.430   17.160  348.311   17.843 13.11823 24.75548 
1 1 1   -9   -1    8 o  616.117   19.092  4762.70  293.735  4660.28  415.190  4865.33  415.620  607.912   27.350  621.266   26.790 -13.35388 38.28449 
1 1 1   -9   -1    9 o  1072.41   32.366 14553.27  866.759 14532.43  1225.75 14574.10  1225.81  1064.36   46.117  1065.93   46.052 -1.565063 65.17331 
1 1 1   -9   -1   10 o  302.072   12.502  1141.56   94.308  1293.32  164.652  1067.47  115.049  320.316   20.695  291.501   15.865 28.81537 26.07625 
1 1 1   -9   -1   11 o  363.215   14.622  1651.64  132.624  1790.71  230.715  1583.00  162.078  376.478   24.677  354.845   18.354 21.63239 30.75422 
1 1 1   -9   -1   12 o  402.444   19.147  2031.65  192.423  2153.03  273.448  1912.58  270.825  412.554   26.686  388.451   28.109 24.10315 38.75872 
1 1 1   -9   -1   13 o  533.322   19.800  3569.60  263.691  3368.01  456.900  3670.29  322.893  513.888   35.828  540.156   23.938 -26.26758 43.08955 
1 1 1   -9   -1   14 o  622.354   22.663  4870.20  352.206  4993.79  611.150  4808.74  430.971  624.646   39.381  617.289   27.958 7.357483 48.29661 
1 1 1   -9   -1   15 o  1186.73   42.019 18042.23  1245.23 18069.67  2157.72 18028.52  1524.76  1153.87   75.297  1178.53   51.810 -24.65857 91.39939 
1 1 1   -9   -1   16 o  691.502   24.979  6031.16  431.333  5944.66  748.150  6074.23  527.900  677.869   44.443  692.245   30.538 -14.37646 53.92353 
1 1 1   -9   -1   17 o  830.706   29.744  8757.88  617.007  8722.87  1069.92  8775.32  755.244  813.439   52.960  828.139   36.520 -14.69965 64.33101 
1 1 1   -9   -1   18 o  505.976   18.987  3221.22  239.910  2918.92  416.876  3370.92  293.358  475.981   35.324  516.742   22.734 -40.76099 42.00768 
1 1 1   -9   -1   19 f  474.965   32.224  2901.54  379.945   0.0000   0.0000  2901.54  379.945  ?   ?   474.965   32.224 0.000000 32.22444 
1 1 1   -9   -1   20 o  251.589   11.442  793.308   71.884  976.134  130.109  712.983   86.241  277.555   18.884  237.792   14.594 39.76347 23.86618 
1 1 1   -9   -1   21 o  401.185   19.736  2035.98  197.717  2044.97  281.184  2027.20  278.069  398.370   28.453  396.714   28.253 1.655914 40.09745 
1 1 1   -9   -1   22 o  572.031   26.337  4195.64  376.216  4284.97  533.849  4107.51  530.269  569.224   37.771  556.770   38.373 12.45398 53.84386 
1 1 1   -9   -1   23 o  135.986   14.360  235.492   48.027  185.814   72.127  275.061   64.372  118.238   25.199  146.339   17.994 -28.10159 30.96419 
1 1 1   -9   -1   24 f  380.557   28.141  1885.76  265.532  1885.76  265.532   0.0000   0.0000  380.557   28.141  ?   ?  0.000000 28.14087 
1 1 1   -9   -1   25 o  208.294   14.604  550.194   75.481  534.324  111.759  563.505  102.352  203.153   22.402  209.484   19.800 -6.330948 29.89838 
1 1 1   -9   -1   26 o  295.323   16.525  1108.17  121.381  1155.92  176.318  1065.16  167.350  298.898   23.820  286.965   23.561 11.93307 33.50417 
1 1 1   -9   -1   27 o  325.157   17.396  1346.01  140.736  1433.23  204.476  1267.50  193.998  332.309   24.820  312.275   25.089 20.03387 35.29158 
1 1 1   -9   -1   28 o  160.061   14.843  326.603   58.652  331.042   93.362  323.709   75.385  158.495   24.369  158.180   19.497 0.3155060 31.20895 
1 1 1   -9   -1   29 o  123.835   20.195  200.819   60.297   0.0000   0.0000  200.819   60.297  ?   ?   123.835   20.195 0.000000 20.19452 
1 1 1   -9   -1   30 f  309.395   17.353  1221.47  133.527  1275.82  197.854  1176.02  180.948  312.363   25.590  300.478   24.324 11.88556 35.30545 
1 1 1   -9   -1   31 o   95.964   19.049  121.658   44.038  178.332   87.977  102.710   50.871  114.007   30.360   87.573   22.975 26.43421 38.07372 
1 1 1   -9   -1   32 o  169.603   16.053  368.972   67.181  360.684  114.986  373.267   82.780  162.856   29.354  169.396   19.952 -6.540054 35.49244 
1 1 1   -9   -1   33 o  155.211   30.729  333.226  114.888  333.226  114.888   0.0000   0.0000  155.211   30.729  ?   ?  0.000000 30.72899 
1 1 1   -9   -1   34 o  392.168   20.232  2001.23  197.464  2158.46  292.944  1870.29  267.325  398.280   29.667  371.237   29.068 27.04309 41.53419 
1 1 1   -9   -1   35 o  322.356   18.065  1350.45  144.835  1526.95  224.220  1224.07  189.729  334.923   27.039  301.105   25.472 33.81760 37.14750 
1 1 1   -9   -1   36 o  231.916   16.874  701.514   97.055  744.313  164.031  678.458  120.392  229.602   29.275  224.976   21.698 4.625519 36.43956 
1 1 1   -9   -1   37 o  249.251   17.143  817.237  106.053  902.392  179.299  771.415  131.527  250.504   29.211  237.943   22.399 12.56107 36.81050 
1 1 1   -9   -1   38 o  244.240   22.546  824.473  135.956   0.0000   0.0000  824.473  135.956  ?   ?   244.240   22.546 0.000000 22.54556 
1 1 1   -9   -1   39 o  114.878   18.691  181.180   51.775  250.811  134.331  169.031   56.110  119.114   39.090  109.464   21.293 9.649826 44.51359 
1 1 1   -9   -1   40 f   74.447   21.443   79.566   42.032  133.312  139.113   74.167   44.092   92.636   37.879   71.993   22.263 20.64297 43.93704 
1 1 1   -9   -1   41 o  142.265   44.004  420.184  172.251  420.184  172.251   0.0000   0.0000  142.265   44.004  ?   ?  0.000000 44.00412 
1 1 1   -9   -1   42 o   68.527   21.339   68.770   40.429  100.346  160.199   66.623   41.781   84.272   37.566   67.558   21.776 16.71407 43.42136 
1 1 1   -9   -1   43 o   86.714   21.789  114.343   47.124 -100.5294  175.532  131.032   48.920   66.115   32.292   93.253   21.454 -27.13742 38.76883 
1 1 1   -9    0    1 o  690.608   30.247  6048.45  521.630  5537.43  736.557  6562.65  738.841  653.075   45.447  713.339   41.658 -60.26428 61.65084 
1 1 1   -9    0    2 o  166.437   12.250  348.623   50.557  369.917   71.104  326.850   71.900  170.890   16.883  160.318   18.287 10.57272 24.88845 
1 1 1   -9    0    3 o  423.175   20.094  2250.98  212.347  2343.85  300.231  2158.01  300.376  429.559   28.144  411.778   29.405 17.78027 40.70303 
1 1 1   -9    0    4 o  510.848   23.293  3286.81  297.139  3133.09  419.584  3441.46  420.856  495.201   34.139  519.612   32.599 -24.41180 47.20356 
1 1 1   -9    0    5 o  231.051   9.2773  667.432   53.528  640.200   75.567  694.857   75.833  225.725   13.467  235.248   12.959 -9.523239 18.68953 
1 1 1   -9    0    6 o  561.215   17.779  3950.80  249.163  3868.73  352.244  4033.00  352.495  554.015   25.461  565.760   24.950 -11.74585 35.64759 
1 1 1   -9    0    7 o  361.700   12.636  1637.15  114.132  1649.12  161.370  1625.16  161.444  362.621   17.820  359.964   17.960 2.656097 25.30095 
1 1 1   -9    0    8 o  809.229   24.870  8244.11  502.569  8240.13  710.698  8248.08  710.783  805.677   35.324  806.070   35.311 -0.3930054 49.94691 
1 1 1   -9    0    9 o  638.450   19.986  5115.72  318.638  5180.46  450.717  5051.03  450.526  640.860   28.164  632.724   28.514 8.136292 40.07785 
1 1 1   -9    0   10 o  672.613   20.316  5678.17  341.243  5648.56  482.589  5707.79  482.591  669.087   28.883  672.623   28.731 -3.535522 40.73975 
1 1 1   -9    0   11 o  750.338   22.707  7074.86  425.472  7156.04  601.825  6993.75  601.591  752.253   32.037  743.568   32.399 8.685547 45.56398 
1 1 1   -9    0   12 o  676.269   24.105  5751.91  407.081  5993.97  705.894  5631.30  498.285  684.337   41.503  667.848   29.878 16.48932 51.13860 
1 1 1   -9    0   13 o  979.219   42.472 12248.99  1038.57 12811.68  1470.44 11688.87  1467.09  988.986   59.821  942.348   62.702 46.63770 86.66090 
1 1 1   -9    0   14 o  800.609   27.908  8086.27  557.954  8766.39  968.228  7748.13  682.709  824.514   47.221  781.398   34.988 43.11627 58.77068 
1 1 1   -9    0   15 o  454.858   17.398  2594.37  197.618  2667.76  343.519  2558.07  241.599  458.328   30.183  451.165   21.444 7.163727 37.02510 
1 1 1   -9    0   16 o  735.594   26.463  6829.40  486.106  6764.23  842.848  6861.89  595.042  722.420   46.976  735.374   32.403 -12.95337 57.06757 
1 1 1   -9    0   17 o  321.925   13.865  1298.32  111.464  1172.33  194.772  1359.68  135.923  303.572   25.942  328.792   16.608 -25.21957 30.80305 
1 1 1   -9    0   18 o  935.321   41.378 11297.82  966.463   0.0000   0.0000 11297.82  966.463  ?   ?   935.321   41.378 0.000000 41.37840 
1 1 1   -9    0   20 o  588.823   39.044  4523.44  570.839   0.0000   0.0000  4523.44  570.839  ?   ?   588.823   39.044 0.000000 39.04353 
1 1 1   -9    0   21 f  415.919   15.208  2175.56  157.955  2561.63  278.104  1991.72  191.914  447.944   24.961  397.074   19.355 50.86929 31.58566 
1 1 1   -9    0   22 o  655.026   24.192  5470.80  395.719  5229.12  687.254  5590.67  484.006  624.008   44.393  658.898   29.416 -34.88959 53.25472 
1 1 1   -9    0   23 o  496.594   19.098  3125.34  236.829  3023.70  413.177  3175.08  289.019  479.254   34.760  498.775   23.204 -19.52078 41.79385 
1 1 1   -9    0   24 o  202.611   11.519  517.297   58.042  497.097  107.179  525.680   69.042  196.153   22.276  203.880   13.640 -7.726944 26.11999 
1 1 1   -9    0   25 o  303.061   24.694  1188.02  185.259  1188.02  185.259   0.0000   0.0000  303.061   24.694  ?   ?  0.000000 24.69403 
1 1 1   -9    0   26 o  609.182   28.219  4823.97  429.276  4912.77  609.828  4736.75  604.385  600.844   40.887  589.431   41.322 11.41260 58.13158 
1 1 1   -9    0   27 o  298.195   16.920  1130.83  125.474  1101.76  181.883  1157.22  173.319  291.100   25.271  299.229   23.381 -8.128601 34.42822 
1 1 1   -9    0   28 o  113.626   16.355  166.801   45.070  159.564   75.249  170.849   56.281  108.702   27.655  114.016   20.522 -5.313614 34.43736 
1 1 1   -9    0   29 o  245.055   15.791  763.608   96.119  762.672  143.974  764.361  129.103  242.031   24.143  243.336   21.466 -1.305298 32.30626 
1 1 1   -9    0   30 o  461.801   32.714  2845.86  374.816   0.0000   0.0000  2845.86  374.816  ?   ?   461.801   32.714 0.000000 32.71391 
1 1 1   -9    0   31 o  252.091   16.311  810.127  102.131  813.439  155.686  807.624  135.317  249.044   25.389  249.657   21.927 -0.6129303 33.54667 
1 1 1   -9    0   32 o  313.626   18.058  1259.41  140.829  1225.93  209.236  1287.14  190.416  304.302   27.843  313.855   24.489 -9.553375 37.08061 
1 1 1   -9    0   33 o   76.293   21.297   77.422   42.122   84.301   89.063   75.439   47.806   85.874   31.592   75.859   23.134 10.01490 39.15650 
1 1 1   -9    0   34 o  316.754   28.759  1352.28  225.001  1352.28  225.001   0.0000   0.0000  316.754   28.759  ?   ?  0.000000 28.75892 
1 1 1   -9    0   35 o  356.977   19.740  1660.64  175.284  1671.25  261.627  1652.00  236.110  348.410   30.374  349.528   27.267 -1.117615 40.81749 
1 1 1   -9    0   36 o  317.639   18.920  1320.59  149.395  1298.02  228.792  1337.37  197.251  304.042   30.547  314.004   25.372 -9.961823 39.71000 
1 1 1   -9    0   37 o   61.367   21.126   47.152   39.205   47.299  106.715   47.129   42.153   78.331   32.709   62.033   21.872 16.29737 39.34807 
1 1 1   -9    0   38 f  158.377   17.175  333.013   66.837  352.513  137.967  327.033   76.401  147.900   37.348  155.232   20.187 -7.331894 42.45425 
1 1 1   -9    0   39 o  138.951   20.433  266.005   68.783   0.0000   0.0000  266.005   68.783  ?   ?   138.951   20.433 0.000000 20.43312 
1 1 1   -9    0   40 o  124.754   20.846  217.962   62.650   0.0000   0.0000  217.962   62.650  ?   ?   124.754   20.846 0.000000 20.84566 
1 1 1   -9    0   41 o  174.013   17.621  411.809   75.515  575.768  173.304  373.383   83.898  179.585   39.700  162.813   21.134 16.77174 44.97488 
1 1 1   -9    0   42 f  146.199   18.234  296.317   65.124  490.874  173.786  264.533   70.242  155.537   43.201  135.562   21.464 19.97485 48.23966 
1 1 1   -9    0   43 o  145.135   18.778  297.751   66.461  450.262  185.135  275.189   71.208  136.153   45.924  137.093   21.508 -0.9399567 50.71057 
1 1 1   -9    1    1 o  586.749   25.633  4344.99  375.574  3750.51  529.773  4945.66  532.521  539.829   39.575  622.448   34.393 -82.61871 52.43151 
1 1 1   -9    1    2 o  577.256   26.041  4206.93  375.387  4284.48  530.830  4129.35  530.924  578.240   36.955  567.343   37.689 10.89728 52.78373 
1 1 1   -9    1    3 o  712.046   31.526  6432.23  560.569  6495.49  792.623  6368.92  792.907  708.450   45.037  701.219   45.528 7.230286 64.03963 
1 1 1   -9    1    4 o  485.034   15.596  2948.61  188.900  2902.90  267.042  2994.39  267.248  480.314   22.264  487.880   21.936 -7.565857 31.25476 
1 1 1   -9    1    5 o  586.774   18.277  4320.71  267.803  4267.90  378.612  4373.58  378.849  581.664   26.066  588.892   25.762 -7.227234 36.64846 
1 1 1   -9    1    6 o  254.529   10.168  810.114   64.630  820.342   91.318  799.849   91.485  255.539   14.369  252.294   14.583 3.244934 20.47238 
1 1 1   -9    1    7 o  347.703   14.027  1513.65  121.795  1492.45  211.097  1524.23  149.118  343.396   24.784  348.682   17.126 -5.286530 30.12511 
1 1 1   -9    1    8 o  346.801   12.207  1504.68  105.714  1534.36  149.512  1475.00  149.492  349.870   17.113  342.559   17.534 7.310791 24.50099 
1 1 1   -9    1    9 o  299.416   10.230  1120.87   76.491  1124.31  108.259  1117.44  108.089  299.673   14.467  298.755   14.488 0.9184875 20.47421 
1 1 1   -9    1   10 o  408.865   13.492  2092.06  137.752  2139.90  194.894  2044.30  194.727  413.060   18.894  403.687   19.317 9.372772 27.02095 
1 1 1   -9    1   11 o  206.394   9.3552  532.459   48.217  542.783   68.246  522.169   68.133  207.855   13.217  203.830   13.461 4.025803 18.86522 
1 1 1   -9    1   12 o  389.384   12.295  1896.67  119.550  1963.97  169.260  1829.68  168.881  395.884   17.121  382.062   17.701 13.82199 24.62640 
1 1 1   -9    1   13 o  1170.38   51.154 17668.38  1495.06 17384.32  2114.38 17952.41  2114.29  1138.48   74.787  1158.38   73.471 -19.89551 104.8389 
1 1 1   -9    1   14 f  898.887   36.802 10267.16  826.100 12175.01  1172.60  8387.17  1164.01  972.772   48.271  799.932   58.680 172.8397 75.98360 
1 1 1   -9    1   15 o  665.675   24.040  5576.90  399.627  5312.99  692.388  5708.73  489.365  642.674   43.397  672.248   29.151 -29.57367 52.27882 
1 1 1   -9    1   16 o  1052.54   36.676 14109.85  963.987 15156.77  1672.34 13588.89  1179.70  1069.13   62.916  1027.16   45.992 41.97668 77.93394 
1 1 1   -9    1   17 o  516.458   18.483  3349.25  238.370  3835.97  415.680  3110.77  290.963  549.268   30.424  496.878   23.450 52.38953 38.41272 
1 1 1   -9    1   18 o  400.310   19.605  2015.46  195.977  1999.60  277.470  2031.24  276.839  396.240   28.226  399.457   27.929 -3.216827 39.70807 
1 1 1   -9    1   19 o  623.231   22.879  4905.20  356.076  4871.97  618.325  4921.68  435.545  612.495   40.657  622.522   28.017 -10.02698 49.37600 
1 1 1   -9    1   20 o  188.637   19.498  453.208   90.524   0.0000   0.0000  453.208   90.524  ?   ?   188.637   19.498 0.000000 19.49829 
1 1 1   -9    1   21 o  414.451   16.467  2161.76  170.430  2111.24  297.873  2186.34  207.804  405.014   29.658  416.021   20.003 -11.00720 35.77294 
1 1 1   -9    1   22 o  671.921   24.698  5754.23  414.406  5677.03  719.831  5792.50  506.818  651.454   44.515  670.742   30.258 -19.28754 53.82508 
1 1 1   -9    1   23 o  490.609   18.901  3047.11  231.565  2937.99  403.586  3100.67  282.735  473.238   34.386  493.299   22.952 -20.06158 41.34243 
1 1 1   -9    1   24 o  173.726   11.204  380.436   48.348  384.955   91.366  378.678   56.980  172.566   21.681  172.990   13.292 -0.4231720 25.43077 
1 1 1   -9    1   25 o  381.022   15.789  1833.96  150.225  1720.12  264.317  1888.29  182.581  362.794   29.429  385.636   18.959 -22.84232 35.00744 
1 1 1   -9    1   26 o  284.411   16.061  1026.09  113.602  1041.97  166.671  1012.31  155.252  284.022   23.716  280.443   22.354 3.578522 32.59132 
1 1 1   -9    1   27 o  307.130   14.139  1190.07  108.441  956.856  193.306  1297.17  130.995  269.544   29.185  319.661   16.466 -50.11664 33.50954 
1 1 1   -9    1   28 o  194.662   11.779  478.391   56.988  453.849  110.364  487.314   66.546  186.281   24.304  196.104   13.675 -9.823288 27.88698 
1 1 1   -9    1   29 o  352.009   18.837  1582.02  164.980  1515.33  238.093  1643.61  228.818  339.824   28.315  355.344   25.966 -15.51990 38.41835 
1 1 1   -9    1   30 o  377.332   19.362  1820.92  181.827  1914.23  264.019  1736.72  250.776  382.143   27.859  363.944   27.803 18.19876 39.35905 
1 1 1   -9    1   31 o   97.650   22.718  127.490   54.354   0.0000   0.0000  127.490   54.354  ?   ?    97.650   22.718 0.000000 22.71765 
1 1 1   -9    1   32 o  234.984   16.246  704.429   94.745  691.363  146.825  713.752  124.021  228.995   26.144  234.739   21.392 -5.744232 33.78098 
1 1 1   -9    1   33 f  108.667   18.995  155.286   49.669  159.402   96.048  153.783   58.030  108.022   32.757  107.233   22.393 0.7890472 39.68003 
1 1 1   -9    1   34 o  258.576   16.845  857.354  108.178  889.133  169.136  835.354  140.725  258.434   26.587  252.633   22.543 5.800751 34.85818 
1 1 1   -9    1   35 o  196.904   28.809  530.575  137.463  530.575  137.463   0.0000   0.0000  196.904   28.809  ?   ?  0.000000 28.80860 
1 1 1   -9    1   36 o   96.578   20.973  126.540   49.133  227.188  110.628  101.810   54.838  124.454   34.433   86.116   24.392 38.33841 42.19702 
1 1 1   -9    1   37 o  155.629   17.415  318.370   66.521  296.014  128.709  326.519   77.704  139.130   36.566  156.221   20.406 -17.09132 41.87464 
1 1 1   -9    1   38 o  123.251   18.713  204.246   55.784  184.621  121.271  209.513   62.825  109.083   37.166  123.727   21.090 -14.64342 42.73330 
1 1 1   -9    1   39 o  304.502   19.152  1243.19  144.892  1294.20  234.688  1211.77  184.186  292.553   32.683  293.147   25.412 -0.5938110 41.39978 
1 1 1   -9    1   40 o   44.091   18.788   4.8038   36.381   0.0000   0.0000   4.8038   36.381  ?   ?    44.091   18.788 0.000000 18.78822 
1 1 1   -9    1   41 o  102.272   20.943  148.376   51.686  115.982  150.348  152.717   55.040   91.172   38.492  103.170   22.033 -11.99775 44.35242 
1 1 1   -9    1   42 o   99.601   20.452  141.710   49.165  272.436  154.879  127.061   51.847  116.304   41.825   92.986   22.559 23.31781 47.52098 
1 1 1   -9    1   43 o   58.797   21.258   45.617   40.074  170.993  169.537   38.198   41.243   94.451   40.410   56.208   21.329 38.24318 45.69366 
1 1 1   -9    2    1 o  197.634   8.9972  488.300   44.404  482.549   62.755  494.066   62.837  195.916   12.899  198.264   12.760 -2.348434 18.14376 
1 1 1   -9    2    2 o  226.220   9.3049  639.831   52.564  618.232   74.214  661.574   74.462  221.801   13.463  229.514   13.046 -7.713181 18.74655 
1 1 1   -9    2    3 o  594.628   18.602  4438.34  276.227  4458.44  390.639  4418.25  390.650  594.395   26.318  591.681   26.439 2.714050 37.30494 
1 1 1   -9    2    4 o  345.770   11.701  1495.89  101.034  1464.99  142.808  1526.84  142.960  341.811   16.731  348.980   16.405 -7.169464 23.43132 
1 1 1   -9    2    5 o  566.037   17.870  4019.34  252.593  3928.11  357.067  4110.72  357.376  558.197   25.616  571.142   25.057 -12.94519 35.83345 
1 1 1   -9    2    6 o  750.537   23.201  7087.43  434.839  7027.48  614.821  7147.43  615.090  744.434   33.073  750.854   32.804 -6.419739 46.58266 
1 1 1   -9    2    7 o  341.152   12.014  1456.05  102.346  1505.72  144.775  1406.44  144.702  346.600   16.727  334.481   17.384 12.11877 24.12461 
1 1 1   -9    2    8 o  207.050   9.2284  535.873   47.715  537.901   67.462  533.842   67.497  206.909   13.124  206.119   13.182 0.7903290 18.60180 
1 1 1   -9    2    9 o  402.462   12.554  2026.50  126.175  2036.82  178.425  2016.18  178.452  403.082   17.726  401.025   17.820 2.056824 25.13476 
1 1 1   -9    2   10 o  334.123   11.771  1396.33   98.217  1406.08  138.926  1386.59  138.874  335.000   16.607  332.237   16.793 2.763458 23.61774 
1 1 1   -9    2   11 o  255.247   10.100  814.499   64.379  871.538   91.233  757.926   90.860  263.520   13.913  245.595   14.885 17.92474 20.37531 
1 1 1   -9    2   12 o  1072.59   32.551 14552.43  871.862 14690.50  1233.15 14414.43  1232.85  1070.71   46.120  1060.34   46.560 10.36865 65.53548 
1 1 1   -9    2   13 o  697.028   21.496  6101.37  374.158  6370.80  529.483  5832.63  528.797  710.357   29.849  679.352   31.170 31.00464 43.15712 
1 1 1   -9    2   14 o  327.581   17.064  1348.50  139.106  1269.93  197.870  1425.27  195.601  316.640   25.234  335.867   23.469 -19.22742 34.46062 
1 1 1   -9    2   15 o  436.305   16.867  2386.00  183.770  2481.95  319.509  2338.57  224.648  442.398   29.084  431.510   20.848 10.88763 35.78384 
1 1 1   -9    2   16 o  565.378   19.962  4014.29  281.838  4553.99  490.449  3748.20  344.378  598.356   32.950  545.369   25.287 52.98724 41.53494 
1 1 1   -9    2   17 o  648.720   29.043  5325.65  470.496   0.0000   0.0000  5325.65  470.496  ?   ?   648.720   29.043 0.000000 29.04345 
1 1 1   -9    2   18 o  647.357   23.663  5285.81  382.523  4917.91  662.750  5469.58  468.422  615.772   43.377  657.006   28.551 -41.23419 51.93018 
1 1 1   -9    2   19 o  449.998   17.452  2544.45  196.108  2540.98  341.378  2546.16  239.585  445.708   30.861  449.446   21.347 -3.737610 37.52478 
1 1 1   -9    2   20 f  204.164   11.416  523.700   57.970  518.065  104.562  526.201   69.655  201.557   21.086  204.371   13.728 -2.813736 25.16147 
1 1 1   -9    2   21 o  467.248   31.913  2814.97  370.133   0.0000   0.0000  2814.97  370.133  ?   ?   467.248   31.913 0.000000 31.91278 
1 1 1   -9    2   22 o  622.360   22.736  4916.88  353.349  5128.14  614.929  4812.73  431.745  624.155   39.659  613.031   28.203 11.12457 48.66459 
1 1 1   -9    2   23 o  221.282   12.108  616.507   66.653  472.203  119.639  681.454   80.263  190.535   25.809  232.383   13.895 -41.84782 29.31164 
1 1 1   -9    2   24 o  208.934   11.369  549.576   59.094  612.372  109.377  523.690   70.225  218.716   20.256  203.520   13.901 15.19662 24.56693 
1 1 1   -9    2   25 o  308.424   13.642  1197.77  105.066  1206.01  187.229  1193.98  126.937  305.649   24.742  306.880   16.626 -1.230682 29.80965 
1 1 1   -9    2   26 o  306.108   13.768  1180.66  105.242  1115.21  187.648  1210.69  127.117  293.119   25.903  308.934   16.537 -15.81470 30.73145 
1 1 1   -9    2   27 o  397.952   20.035  2022.33  198.458  1990.06  285.479  2052.50  276.080  389.726   29.554  396.739   28.047 -7.013306 40.74368 
1 1 1   -9    2   28 o  187.126   11.386  441.792   52.950  464.693  103.524  433.678   61.621  189.240   22.337  185.018   13.429 4.221878 26.06316 
1 1 1   -9    2   29 o  119.138   12.309  180.537   36.092  107.996   80.198  198.960   40.416   92.040   30.204  124.977   13.147 -32.93718 32.94121 
1 1 1   -9    2   30 o  136.963   12.241  238.028   41.427  147.698   90.926  261.690   46.537  105.082   31.873  143.494   13.133 -38.41199 34.47275 
1 1 1   -9    2   31 o  462.094   18.296  2718.72  211.129  2698.93  374.504  2727.94  255.622  449.190   33.631  460.767   22.216 -11.57745 40.30620 
1 1 1   -9    2   32 o  205.712   20.784  547.613  105.304   0.0000   0.0000  547.613  105.304  ?   ?   205.712   20.784 0.000000 20.78403 
1 1 1   -9    2   33 o  254.988   11.609  819.187   73.920  1277.75  155.949  686.304   83.950  315.138   19.919  232.365   14.541 82.77351 24.66194 
1 1 1   -9    2   34 o  215.684   12.992  590.279   69.651  442.715  144.255  635.138   79.536  178.576   33.581  223.377   14.334 -44.80075 36.51253 
1 1 1   -9    2   35 o   53.131   20.744   23.602   39.802   17.731   96.420   24.807   43.699   72.514   30.732   55.195   21.682 17.31857 37.61043 
1 1 1   -9    2   36 o   86.028   33.638   77.046  104.776   77.046  104.776   0.0000   0.0000   86.028   33.638  ?   ?  0.000000 33.63762 
1 1 1   -9    2   37 o   79.670   22.129   86.778   45.598   88.433  109.333   86.429   50.169   88.319   34.409   79.587   23.572 8.732498 41.70868 
1 1 1   -9    2   38 o  363.346   21.284  1765.39  192.274  1618.08  289.781  1881.26  256.995  328.707   35.886  365.970   28.342 -37.26376 45.72809 
1 1 1   -9    2   39 o   98.485   21.069  134.757   50.249  119.724  127.066  137.544   54.708   94.097   36.970   98.840   22.650 -4.742790 43.35649 
1 1 1   -9    2   40 o  142.231   40.058  348.988  148.339  348.988  148.339   0.0000   0.0000  142.231   40.058  ?   ?  0.000000 40.05838 
1 1 1   -9    2   41 o  100.624   22.389  145.081   54.807   0.0000   0.0000  145.081   54.807  ?   ?   100.624   22.389 0.000000 22.38885 
1 1 1   -9    2   42 o  106.067   20.543  159.298   52.446  301.114  162.439  142.794   55.413  122.990   42.965   98.940   22.884 24.04922 48.67886 
1 1 1   -9    2   43 o   86.223   21.894  109.368   47.228  150.353  167.339  105.821   49.230   93.496   40.079   84.342   22.820 9.154198 46.12003 
1 1 1   -9    2   44 o  182.890   19.767  475.311   88.840  390.215  211.864  493.466   97.859  119.438   47.478  184.178   21.693 -64.74079 52.19943 
1 1 1   -9    3    1 o  159.445   8.5415  318.674   33.886  307.953   47.866  329.445   47.978  156.388   12.357  161.827   11.957 -5.438766 17.19518 
1 1 1   -9    3    2 o   97.454   8.6624  119.651   20.861  110.695   29.531  128.572   29.473   93.139   13.056  100.665   11.959 -7.525734 17.70465 
1 1 1   -9    3    3 o  495.765   16.089  3080.55  199.179  3116.39  281.708  3044.72  281.656  497.709   22.666  491.909   22.929 5.799744 32.24097 
1 1 1   -9    3    4 o  502.115   16.241  3160.03  203.638  3134.53  287.929  3185.56  288.047  499.109   23.101  503.185   22.924 -4.075684 32.54497 
1 1 1   -9    3    5 o  579.036   18.122  4205.97  262.037  4122.51  370.419  4289.57  370.735  571.862   25.939  583.439   25.446 -11.57684 36.33619 
1 1 1   -9    3    6 o  662.100   20.684  5506.17  341.991  5473.62  483.569  5538.74  483.729  658.148   29.423  662.096   29.257 -3.947327 41.49310 
1 1 1   -9    3    7 o  577.412   17.785  4180.64  256.437  4108.48  362.499  4252.92  362.815  571.144   25.416  581.179   24.999 -10.03436 35.65025 
1 1 1   -9    3    8 o  525.965   16.874  3466.99  221.627  3496.79  313.458  3437.21  313.398  527.251   23.807  522.706   24.010 4.544373 33.81210 
1 1 1   -9    3    9 o  561.433   17.716  3951.36  248.378  3953.03  351.215  3949.69  351.303  560.432   25.096  560.191   25.113 0.2403564 35.50282 
1 1 1   -9    3   10 o  429.425   14.323  2308.38  153.589  2401.37  217.349  2215.62  217.066  437.470   19.896  420.126   20.690 17.34399 28.70396 
1 1 1   -9    3   11 o  341.060   11.904  1454.92  101.382  1542.72  143.601  1367.68  143.151  350.926   16.387  329.890   17.439 21.03564 23.92994 
1 1 1   -9    3   12 o  924.363   27.933 10771.13  644.775 10885.75  911.949 10656.55  911.751  924.884   39.485  914.910   39.907 9.973816 56.13933 
1 1 1   -9    3   13 o  441.298   14.180  2437.65  156.266  2580.91  221.248  2295.06  220.739  453.570   19.534  427.594   20.673 25.97614 28.44161 
1 1 1   -9    3   14 o  843.507   36.702  9037.12  773.084  9452.59  1094.73  8623.80  1091.88  854.266   51.559  814.411   53.995 39.85504 74.65768 
1 1 1   -9    3   15 o  832.189   35.396  8792.16  735.583  9829.62  1043.10  7765.88  1037.46  872.673   48.051  771.950   54.161 100.7231 72.40412 
1 1 1   -9    3   16 o  465.562   21.893  2724.88  254.532   0.0000   0.0000  2724.88  254.532  ?   ?   465.562   21.893 0.000000 21.89340 
1 1 1   -9    3   17 o  433.929   29.848  2394.62  321.468  2394.62  321.468   0.0000   0.0000  433.929   29.848  ?   ?  0.000000 29.84819 
1 1 1   -9    3   18 o  476.602   17.746  2851.96  211.204  2986.18  367.594  2785.82  258.050  484.146   30.562  470.349   21.970 13.79733 37.63905 
1 1 1   -9    3   19 o  367.417   14.871  1693.07  136.438  1736.91  238.478  1671.74  166.354  369.581   26.006  364.220   18.349 5.361176 31.82727 
1 1 1   -9    3   20 o  496.032   18.921  3097.60  234.366  2980.32  407.473  3155.58  286.499  480.999   34.146  499.682   22.960 -18.68311 41.14730 
1 1 1   -9    3   21 o  430.963   16.848  2336.58  181.313  2377.67  316.803  2316.57  221.105  430.404   29.657  428.299   20.673 2.104370 36.15081 
1 1 1   -9    3   22 o  225.640   20.670  649.257  115.174   0.0000   0.0000  649.257  115.174  ?   ?   225.640   20.670 0.000000 20.66998 
1 1 1   -9    3   23 o  435.007   17.313  2387.86  188.072  2173.53  327.827  2493.01  229.615  408.549   32.399  443.470   20.734 -34.92087 38.46529 
1 1 1   -9    3   24 o  105.961   11.576  142.590   30.133  134.233   62.474  145.124   34.398  100.500   24.997  106.644   13.198 -6.144196 28.26759 
1 1 1   -9    3   25 o  307.684   13.259  1191.17  101.876  1260.55  181.930  1159.48  122.962  313.168   23.433  302.538   16.336 10.62952 28.56573 
1 1 1   -9    3   26 o  204.114   10.533  524.274   53.503  713.049  103.784  455.947   62.439  236.609   17.693  189.861   13.253 46.74739 22.10608 
1 1 1   -9    3   27 o  291.894   22.753  1097.05  164.541   0.0000   0.0000  1097.05  164.541  ?   ?   291.894   22.753 0.000000 22.75324 
1 1 1   -9    3   28 o  194.302   12.635  477.210   60.972  756.893  101.518  319.396   76.257  243.902   16.770  157.183   19.872 86.71886 26.00220 
1 1 1   -9    3   29 o   87.048   13.718   97.808   28.833   88.333   70.504   99.711   31.596   84.422   28.341   87.659   14.971 -3.237389 32.05211 
1 1 1   -9    3   30 f  181.336   12.086  415.649   54.417  281.628  108.758  460.405   62.850  143.908   31.166  190.657   13.284 -46.74844 33.87900 
1 1 1   -9    3   31 o  277.196   13.169  968.881   91.158  1047.56  171.511  937.904  107.617  283.918   24.429  271.667   15.933 12.25162 29.16530 
1 1 1   -9    3   32 o  312.062   14.373  1231.01  112.001  1110.82  206.857  1280.86  133.218  289.828   28.969  317.155   16.881 -27.32700 33.52898 
1 1 1   -9    3   33 o  328.042   25.579  1407.41  207.883   0.0000   0.0000  1407.41  207.883  ?   ?   328.042   25.579 0.000000 25.57903 
1 1 1   -9    3   34 o  173.824   12.474  383.321   53.786  297.466  120.522  404.672   60.103  145.977   33.739  178.363   13.596 -32.38626 36.37514 
1 1 1   -9    3   35 o  199.376   11.879  503.750   58.873  585.089  135.032  484.659   65.418  209.234   26.434  195.128   13.509 14.10628 29.68521 
1 1 1   -9    3   36 o  220.013   13.240  616.747   72.406  406.525  152.340  678.096   82.296  166.865   37.476  230.327   14.380 -63.46149 40.13985 
1 1 1   -9    3   37 o   90.732   17.648  109.780   38.547  152.744  108.839  103.618   41.219  104.143   35.211   87.637   19.352 16.50569 40.17847 
1 1 1   -9    3   38 o  126.825   12.569  207.085   39.284  276.766  125.257  199.483   41.371  134.490   36.405  124.147   13.565 10.34302 38.85041 
1 1 1   -9    3   39 o  195.986   13.317  495.645   64.787   0.0000   0.0000  495.645   64.787  ?   ?   195.986   13.317 0.000000 13.31672 
1 1 1   -9    3   40 o   48.674   16.376   29.650   23.540  -6.2457  129.749   30.872   23.937   73.742   33.263   49.462   16.514 24.27988 37.13702 
1 1 1   -9    3   41 o  236.831   13.221  728.459   77.877  800.576  193.058  714.444   85.109  223.811   35.745  233.500   14.671 -9.688446 38.63883 
1 1 1   -9    3   42 o  119.212   21.881  201.807   62.739   0.0000   0.0000  201.807   62.739  ?   ?   119.212   21.881 0.000000 21.88136 
1 1 1   -9    3   43 o   98.730   14.164  130.408   33.920  260.794  170.312  125.022   34.614  112.569   43.192   96.318   14.870 16.25061 45.68007 
1 1 1   -9    3   44 o  111.739   13.457  166.528   36.794  310.848  187.999  160.780   37.519  114.474   44.971  109.462   14.050 5.011932 47.11448 
1 1 1   -9    4    1 o  274.829   10.312  944.478   70.774  919.727   99.827  969.492  100.354  270.587   14.830  277.866   14.513 -7.279388 20.75011 
1 1 1   -9    4    2 o  280.960   10.748  987.224   75.412  1006.50  106.637  967.942  106.661  283.062   15.141  277.535   15.451 5.526611 21.63295 
1 1 1   -9    4    3 o  339.070   11.924  1438.37  100.961  1444.19  142.728  1432.53  142.834  339.418   16.839  337.611   16.996 1.807281 23.92574 
1 1 1   -9    4    4 o  174.684   8.8166  382.388   38.335  400.380   54.293  364.501   54.136  178.465   12.257  170.183   12.833 8.281982 17.74598 
1 1 1   -9    4    5 o  409.786   13.681  2102.11  139.996  2101.79  197.946  2102.42  198.024  409.226   19.370  409.288   19.375 -0.6149292E-01 27.39683 
1 1 1   -9    4    6 o  672.408   20.880  5678.55  350.601  5632.20  495.711  5724.94  495.938  667.653   29.732  673.189   29.501 -5.535461 41.88465 
1 1 1   -9    4    7 o  635.733   19.913  5072.72  316.127  5149.81  447.190  4995.71  446.953  638.914   28.028  629.185   28.447 9.728760 39.93509 
1 1 1   -9    4    8 o  401.419   13.598  2016.75  136.311  1990.21  192.631  2043.36  192.915  398.282   19.368  403.587   19.142 -5.305450 27.23089 
1 1 1   -9    4    9 f  286.954   10.719  1029.62   76.813  1005.38  108.514  1053.97  108.748  282.920   15.417  289.732   15.083 -6.811951 21.56806 
1 1 1   -9    4   10 o  388.895   13.334  1892.55  129.495  1948.02  183.180  1837.12  183.089  394.142   18.611  382.225   19.244 11.91653 26.77105 
1 1 1   -9    4   11 o  316.773   11.442  1254.92   90.513  1228.50  127.817  1281.50  128.193  312.727   16.425  319.453   16.122 -6.726105 23.01470 
1 1 1   -9    4   12 o  380.137   13.062  1808.06  123.993  1894.41  175.525  1722.05  175.181  388.735   18.082  370.069   19.021 18.66611 26.24359 
1 1 1   -9    4   13 o  212.375   9.5517  563.796   50.656  615.590   71.885  512.704   71.396  221.423   13.058  201.884   14.253 19.53958 19.33089 
1 1 1   -9    4   14 o  291.396   15.487  1066.43  112.291  1146.89  160.811  989.873  156.870  301.432   21.505  279.749   22.650 21.68274 31.23245 
1 1 1   -9    4   15 o  813.246   35.639  8397.98  723.767  7830.53  1023.33  8965.95  1023.79  775.805   53.142  832.567   49.465 -56.76135 72.60059 
1 1 1   -9    4   16 o  720.181   22.394  6522.19  402.746  6665.60  569.784  6379.00  569.352  725.561   31.447  709.575   32.132 15.98633 44.95979 
1 1 1   -9    4   17 o  719.287   22.168  6509.11  398.182  6792.53  563.661  6226.80  562.570  732.199   30.827  700.597   32.156 31.60181 44.54569 
1 1 1   -9    4   18 o  460.899   16.563  2665.01  190.636  3079.95  332.948  2462.64  232.524  492.790   27.161  442.408   21.047 50.38181 34.36126 
1 1 1   -9    4   19 o  690.419   24.855  6024.48  428.522  6391.90  744.263  5842.27  524.112  701.811   42.670  677.641   30.972 24.17010 52.72581 
1 1 1   -9    4   20 f  576.506   21.316  4192.44  306.878  4320.47  533.396  4129.10  375.192  578.213   37.138  570.611   26.331 7.602173 45.52487 
1 1 1   -9    4   21 o  262.575   12.803  864.510   83.949  682.519  147.669  951.413  102.043  230.373   26.131  274.850   14.923 -44.47716 30.09234 
1 1 1   -9    4   22 o  705.469   31.638  6400.15  557.369   0.0000   0.0000  6400.15  557.369  ?   ?   705.469   31.638 0.000000 31.63838 
1 1 1   -9    4   23 o  765.445   51.649  8010.99  981.484   0.0000   0.0000  8010.99  981.484  ?   ?   765.445   51.649 0.000000 51.64944 
1 1 1   -9    4   24 f  360.932   13.560  1638.16  122.217  1966.28  217.178  1486.08  147.850  392.495   22.250  342.579   17.339 49.91638 28.20790 
1 1 1   -9    4   25 o  328.280   13.997  1356.85  114.743  1387.26  203.559  1342.69  138.916  328.081   25.035  325.451   17.153 2.630371 30.34788 
1 1 1   -9    4   26 f  374.183   15.305  1766.97  143.015  1725.03  252.041  1786.89  173.684  364.288   27.919  375.358   18.529 -11.07013 33.50799 
1 1 1   -9    4   27 o  501.742   18.741  3196.53  234.818  3397.14  411.654  3099.78  285.892  507.838   32.633  491.872   23.276 15.96622 40.08348 
1 1 1   -9    4   28 o  320.719   18.330  1310.01  146.191  1054.72  211.372  1544.12  202.411  282.746   30.415  346.138   23.557 -63.39151 38.47078 
1 1 1   -9    4   29 f   46.397   15.213   26.115   20.347   71.471   62.412   20.721   21.523   77.352   26.654   43.731   15.606 33.62063 30.88648 
1 1 1   -9    4   30 o  263.918   12.075  876.459   79.578  1122.74  152.195  783.793   93.356  295.810   20.734  248.592   15.110 47.21796 25.65598 
1 1 1   -9    4   31 o  337.032   15.019  1436.05  126.401  1299.71  228.528  1496.14  151.723  313.961   29.494  342.724   17.789 -28.76263 34.44331 
1 1 1   -9    4   32 o  368.635   19.608  1739.31  179.849  1677.85  264.244  1792.36  245.482  356.298   29.978  370.406   26.719 -14.10818 40.15650 
1 1 1   -9    4   33 o  121.658   12.780  188.652   38.246  122.539   99.052  200.236   41.461   98.356   33.589  125.239   13.469 -26.88281 36.18885 
1 1 1   -9    4   34 o   61.589   23.074   37.967   47.923   0.0000   0.0000   37.967   47.923  ?   ?    61.589   23.074 0.000000 23.07400 
1 1 1   -9    4   35 o  149.049   12.595  282.675   46.441  116.427  112.857  316.564   50.955   97.936   35.633  157.682   13.058 -59.74628 37.95004 
1 1 1   -9    4   36 o  216.636   13.223  597.315   71.189  420.241  149.869  648.910   80.898  171.150   36.197  225.424   14.447 -54.27441 38.97321 
1 1 1   -9    4   37 o  153.365   12.534  300.513   47.582  236.364  125.396  311.303   51.428  126.433   37.217  155.879   13.340 -29.44668 39.53577 
1 1 1   -9    4   38 o  106.565   18.118  151.313   46.488 -15.2187  116.033  183.156   50.738   71.551   31.928  117.577   17.841 -46.02554 36.57461 
1 1 1   -9    4   39 o  168.146   36.390  434.225  148.362  434.225  148.362   0.0000   0.0000  168.146   36.390  ?   ?  0.000000 36.38972 
1 1 1   -9    4   40 o  107.831   13.585  152.059   35.768  200.813  131.394  148.158   37.172  111.576   38.661  106.128   14.398 5.448524 41.25449 
1 1 1   -9    4   41 o  177.367   12.796  407.668   56.296  454.690  160.736  401.094   60.103  164.177   39.652  175.388   13.835 -11.21071 41.99655 
1 1 1   -9    4   42 o  180.259   12.834  422.536   57.394  446.288  173.257  419.609   60.828  155.705   43.095  179.135   13.702 -23.43010 45.22110 
1 1 1   -9    4   43 o  105.534   21.869  159.929   55.738   44.099  176.600  172.743   58.740   84.183   38.304  109.557   22.231 -25.37365 44.28743 
1 1 1   -9    4   44 o   87.118   15.163  103.344   31.789  143.000  176.373  102.013   32.318   92.951   40.496   86.362   15.558 6.589157 43.38160 
1 1 1   -9    4   45 o   97.612   13.923  128.597   32.977  349.707  198.919  122.348   33.440  116.114   46.053   94.837   14.587 21.27779 48.30805 
1 1 1   -9    5    1 o  336.279   11.831  1414.62   99.353  1443.58  140.459  1385.61  140.555  339.397   16.573  332.050   17.008 7.346863 23.74708 
1 1 1   -9    5    2 o  258.674   10.068  836.608   65.033  775.716   91.637  898.394   92.308  248.444   14.838  267.535   13.864 -19.09175 20.30753 
1 1 1   -9    5    3 o  875.171   26.658  9655.28  582.598  9655.02  823.906  9655.53  823.932  870.940   37.882  870.963   37.883 -0.2307129E-01 53.57406 
1 1 1   -9    5    4 o  290.334   10.864  1054.16   78.768  1018.93  111.125  1089.74  111.667  284.767   15.687  294.577   15.232 -9.809845 21.86579 
1 1 1   -9    5    5 o  291.801   10.942  1064.85   79.735  1083.77  112.770  1045.94  112.756  293.749   15.427  288.531   15.708 5.218140 22.01722 
1 1 1   -9    5    6 o  145.635   8.5922  266.002   31.110  279.545   43.868  252.302   44.124  149.018   11.887  141.443   12.625 7.574753 17.34080 
1 1 1   -9    5    7 o  1147.05   34.582 16682.36  990.555 16330.75  1400.36 17034.46  1401.35  1125.71   49.815  1150.45   48.779 -24.73560 69.72025 
1 1 1   -9    5    8 o  441.846   14.673  2444.29  161.894  2404.44  228.828  2484.22  229.078  437.609   20.940  444.847   20.622 -7.238190 29.38922 
1 1 1   -9    5    9 o  302.811   11.130  1146.68   84.164  1150.98  118.940  1142.36  119.113  302.733   15.788  301.584   15.872 1.148285 22.38702 
1 1 1   -9    5   10 o  626.076   19.666  4917.58  307.460  4853.64  434.680  4981.59  434.947  620.464   28.054  628.664   27.706 -8.200256 39.42910 
1 1 1   -9    5   11 o  437.332   13.806  2393.66  150.773  2379.12  213.078  2408.25  213.374  435.483   19.594  438.151   19.501 -2.667511 27.64453 
1 1 1   -9    5   12 o  301.296   11.319  1135.26   85.166  1151.95  120.409  1118.55  120.477  302.846   15.978  298.384   16.230 4.462433 22.77519 
1 1 1   -9    5   13 o  303.044   11.036  1148.41   83.518  1167.54  118.243  1129.36  117.982  304.932   15.580  299.866   15.812 5.065552 22.19792 
1 1 1   -9    5   14 o  347.790   16.568  1515.61  143.890  1817.88  205.812  1226.60  201.248  379.794   21.792  310.991   26.157 68.80264 34.04495 
1 1 1   -9    5   15 o  284.188   22.035  1020.95  155.150   0.0000   0.0000  1020.95  155.150  ?   ?   284.188   22.035 0.000000 22.03464 
1 1 1   -9    5   16 o  599.487   27.066  4534.23  405.185  4534.23  405.185   0.0000   0.0000  599.487   27.066  ?   ?  0.000000 27.06592 
1 1 1   -9    5   17 o  487.843   15.995  2983.34  194.861  3047.31  275.709  2919.49  275.442  492.105   22.436  481.595   22.903 10.51028 32.06128 
1 1 1   -9    5   18 o  385.670   12.556  1862.25  120.921  1840.54  171.010  1883.96  171.007  382.879   17.886  387.394   17.677 -4.514496 25.14717 
1 1 1   -9    5   19 o  551.615   20.412  3830.25  281.168  3983.68  488.723  3754.35  343.754  557.039   35.317  544.950   25.260 12.08887 43.42068 
1 1 1   -9    5   20 o  453.235   17.587  2582.57  199.050  2570.97  346.670  2588.27  243.120  447.926   31.187  452.970   21.493 -5.044250 37.87610 
1 1 1   -9    5   21 o  299.857   12.179  1126.91   91.199  1409.75  162.527  996.921  110.180  333.830   19.582  281.245   15.751 52.58557 25.13075 
1 1 1   -9    5   22 f  461.042   17.853  2678.76  205.540  2638.74  358.134  2698.42  250.991  451.989   31.935  461.692   21.770 -9.702728 38.64956 
1 1 1   -9    5   23 o  278.938   22.728  994.484  156.941   0.0000   0.0000  994.484  156.941  ?   ?   278.938   22.728 0.000000 22.72846 
1 1 1   -9    5   24 o  248.575   12.729  778.225   78.749  618.812  140.259  851.611   95.165  218.354   26.249  259.690   14.735 -41.33601 30.10209 
1 1 1   -9    5   25 o  208.821   11.367  549.002   59.053  664.843  110.036  502.142   69.985  228.154   19.501  199.218   14.160 28.93689 24.09935 
1 1 1   -9    5   26 o  209.520   10.918  552.526   56.927  755.417  108.957  476.345   66.765  243.555   18.043  194.001   13.873 49.55394 22.75973 
1 1 1   -9    5   27 o  443.913   17.113  2494.56  189.703  2664.18  333.591  2413.50  230.623  451.710   29.740  435.041   21.229 16.66870 36.53930 
1 1 1   -9    5   28 o  454.410   17.726  2618.18  201.143  2646.86  353.268  2604.41  244.676  448.443   31.751  451.498   21.701 -3.054474 38.45903 
1 1 1   -9    5   29 o  152.492   13.822  295.504   52.062  326.768   88.607  279.020   64.340  158.107   23.126  147.270   17.860 10.83626 29.21983 
1 1 1   -9    5   30 o  357.645   14.552  1614.81  129.967  1765.89  234.082  1547.48  156.266  369.011   25.560  348.654   18.010 20.35730 31.26764 
1 1 1   -9    5   31 o  281.056   12.478  994.636   87.579  1199.83  166.012  915.508  103.091  305.309   21.921  268.624   15.433 36.68460 26.80839 
1 1 1   -9    5   32 o  416.618   17.085  2203.11  177.747  2070.95  316.742  2263.87  214.749  394.554   32.435  420.849   20.434 -26.29504 38.33487 
1 1 1   -9    5   33 o  284.596   13.598  1022.51   96.639  893.734  181.963  1073.10  114.054  259.967   28.496  290.593   15.776 -30.62659 32.57209 
1 1 1   -9    5   34 o  346.194   14.638  1517.25  126.544  1499.06  237.962  1524.43  149.424  336.674   28.574  346.075   17.290 -9.401276 33.39773 
1 1 1   -9    5   35 o  226.618   22.018  669.335  123.031   0.0000   0.0000  669.335  123.031  ?   ?   226.618   22.018 0.000000 22.01842 
1 1 1   -9    5   36 o  125.564   13.197  201.852   40.761  160.384  112.416  208.129   43.737  108.289   35.771  127.332   13.986 -19.04264 38.40746 
1 1 1   -9    5   37 o  279.684   14.488  999.812  100.844  758.028  198.645  1083.76  117.048  230.402   35.679  290.385   16.206 -59.98273 39.18694 
1 1 1   -9    5   38 o  227.490   14.683  665.391   82.966   0.0000   0.0000  665.391   82.966  ?   ?   227.490   14.683 0.000000 14.68294 
1 1 1   -9    5   39 o  184.683   15.425  443.067   70.489  692.411  150.089  372.506   79.842  222.550   27.599  167.310   19.474 55.24049 33.77779 
1 1 1   -9    5   40 o  116.279   13.942  176.546   39.677 -15.6850  130.568  196.103   41.646   73.706   33.296  122.665   13.838 -48.95887 36.05735 
1 1 1   -9    5   41 o  243.632   13.452  768.881   81.524  749.879  189.480  773.198   90.310  218.547   35.971  243.302   14.936 -24.75545 38.94864 
1 1 1   -9    5   42 o   97.478   14.087  125.823   33.296  132.361  145.951  125.464   34.198   95.590   38.910   97.161   14.542 -1.571831 41.53842 
1 1 1   -9    5   43 o   86.940   14.907  101.682   31.198 -58.6185  153.686  108.572   31.862   71.230   33.533   89.988   14.685 -18.75858 36.60716 
1 1 1   -9    5   44 o   58.882   21.792   43.051   42.491  210.237  176.788   32.801   43.774  103.813   42.604   55.567   21.738 48.24612 47.82975 
1 1 1   -9    5   45 o   37.926   15.216   11.161   21.966  250.859  185.917   7.7676   22.121  105.423   43.526   36.530   15.040 68.89295 46.05109 
1 1 1   -9    6    1 o  554.968   17.532  3861.11  242.966  3919.95  343.612  3802.27  343.601  558.082   24.656  549.573   25.037 8.508606 35.13900 
1 1 1   -9    6    2 f  612.899   18.883  4712.35  289.014  4630.44  408.560  4794.38  408.896  606.071   26.995  616.803   26.547 -10.73199 37.86116 
1 1 1   -9    6    3 o  587.265   18.524  4325.59  271.653  4333.79  384.077  4317.38  384.274  586.499   26.224  585.375   26.288 1.123962 37.13163 
1 1 1   -9    6    4 f  215.058   9.3214  578.131   50.060  556.754   70.574  599.778   71.018  210.484   13.498  218.538   13.073 -8.054749 18.79120 
1 1 1   -9    6    5 o  231.107   9.7280  667.701   56.142  669.395   79.260  665.996   79.534  230.845   13.813  230.248   13.898 0.5975800 19.59449 
1 1 1   -9    6    6 o  760.468   23.467  7272.17  445.651  7335.66  630.334  7208.72  630.158  761.102   33.165  754.397   33.450 6.705444 47.10437 
1 1 1   -9    6    7 o  588.327   18.108  4339.86  266.029  4306.15  376.009  4373.64  376.436  584.791   25.748  589.390   25.576 -4.598267 36.29210 
1 1 1   -9    6    8 o  325.582   11.825  1325.90   96.141  1331.31  135.944  1320.48  135.982  325.526   16.780  324.188   16.855 1.338593 23.78410 
1 1 1   -9    6    9 o  475.142   15.528  2827.32  184.245  2739.85  260.342  2915.09  260.783  466.987   22.325  481.775   21.676 -14.78848 31.11686 
1 1 1   -9    6   10 o  345.714   12.285  1495.09  106.055  1508.65  149.870  1481.50  150.099  346.959   17.298  343.360   17.564 3.599213 24.65195 
1 1 1   -9    6   11 o  444.245   14.758  2470.80  163.716  2460.23  231.431  2481.39  231.628  442.691   20.935  444.598   20.863 -1.907471 29.55545 
1 1 1   -9    6   12 o  277.614   10.799  963.688   74.867  956.216  105.745  971.198  106.012  275.901   15.410  278.070   15.326 -2.168549 21.73360 
1 1 1   -9    6   13 o  508.869   16.516  3244.40  209.871  3305.78  296.899  3183.09  296.706  512.803   23.185  503.133   23.615 9.669983 33.09420 
1 1 1   -9    6   14 o  536.910   24.384  3627.28  326.928  3726.90  463.388  3528.56  461.313  541.113   34.473  526.212   35.311 14.90143 49.34789 
1 1 1   -9    6   15 o  448.243   30.460  2551.63  338.931  2551.63  338.931   0.0000   0.0000  448.243   30.460  ?   ?  0.000000 30.46009 
1 1 1   -9    6   16 o  178.303   13.242  400.140   58.538  398.435   85.923  401.617   79.969  177.054   19.771  178.000   18.249 -0.9459839 26.90570 
1 1 1   -9    6   17 o  397.927   13.148  1982.46  130.656  1968.29  184.680  1996.67  184.870  395.956   18.678  398.813   18.563 -2.857635 26.33320 
1 1 1   -9    6   18 o  481.332   15.848  2905.46  190.490  2902.34  269.360  2908.58  269.426  480.013   22.471  480.533   22.453 -0.5197449 31.76599 
1 1 1   -9    6   19 o  355.077   12.851  1579.34  113.949  1690.53  161.481  1469.07  160.818  366.839   17.628  341.293   18.944 25.54523 25.87662 
1 1 1   -9    6   20 o  316.926   13.590  1259.28  107.551  1316.93  188.914  1231.63  130.822  321.926   23.665  312.643   16.818 9.282562 29.03274 
1 1 1   -9    6   21 o  418.507   16.466  2201.93  172.088  2238.74  300.237  2183.92  210.008  418.085   28.935  416.071   20.212 2.013580 35.29576 
1 1 1   -9    6   22 o  443.220   17.432  2474.39  192.934  2331.64  335.714  2544.78  235.755  424.833   31.877  448.584   21.046 -23.75156 38.19781 
1 1 1   -9    6   23 o  194.409   10.697  475.112   51.734  590.467   97.054  429.327   61.145  215.543   18.202  184.411   13.368 31.13142 22.58343 
1 1 1   -9    6   24 o  321.510   24.658  1327.06  196.460   0.0000   0.0000  1327.06  196.460  ?   ?   321.510   24.658 0.000000 24.65761 
1 1 1   -9    6   25 o  204.682   11.818  527.821   60.150  521.675  111.252  530.359   71.501  201.137   22.537  204.795   14.067 -3.657166 26.56650 
1 1 1   -9    6   26 o  106.810   11.785  145.029   30.910  231.090   68.497  123.022   34.638  133.149   21.320   97.751   14.640 35.39875 25.86278 
1 1 1   -9    6   27 o  232.518   12.421  681.796   71.859  613.291  131.373  711.042   85.839  217.299   24.646  237.031   14.573 -19.73206 28.63198 
1 1 1   -9    6   28 o  443.199   17.110  2487.46  189.360  2652.41  333.432  2408.93  230.060  450.415   29.813  434.518   21.202 15.89713 36.58360 
1 1 1   -9    6   29 o  261.271   11.804  858.295   77.016  1025.59  143.835  791.052   91.190  282.931   20.497  249.938   14.675 32.99370 25.20853 
1 1 1   -9    6   30 o  174.282   14.452  385.880   62.330  375.764  102.971  391.730   78.305  169.083   25.154  174.739   18.213 -5.656219 31.05494 
1 1 1   -9    6   31 o  431.367   17.006  2359.17  183.193  2381.41  325.057  2348.81  221.764  425.142   30.827  428.851   20.708 -3.709900 37.13680 
1 1 1   -9    6   32 o  184.696   12.512  431.547   57.368  315.984  115.870  469.075   66.029  152.471   31.475  192.323   13.841 -39.85149 34.38408 
1 1 1   -9    6   33 f  432.580   16.382  2373.10  176.966  2697.73  319.358  2229.25  212.590  453.535   28.340  417.496   20.391 36.03857 34.91343 
1 1 1   -9    6   34 o  295.028   13.260  1098.79   97.690  1228.17  187.997  1050.93  114.339  306.910   24.740  287.396   15.995 19.51419 29.46004 
1 1 1   -9    6   35 o  142.477   13.214  258.655   46.478   0.0000   0.0000  258.655   46.478  ?   ?   142.477   13.214 0.000000 13.21364 
1 1 1   -9    6   36 o  298.494   17.954  1145.01  133.205  1213.65  204.775  1094.66  175.383  301.748   27.477  288.285   24.597 13.46335 36.87828 
1 1 1   -9    6   37 o  115.037   13.303  170.126   37.512  201.434  116.478  166.503   39.623  118.489   36.105  113.541   14.291 4.948334 38.83040 
1 1 1   -9    6   38 o  188.691   17.536  463.496   81.686  499.045  145.099  447.002   98.835  187.497   32.147  183.150   22.053 4.346985 38.98435 
1 1 1   -9    6   39 o  220.360   13.013  622.105   71.289  683.858  164.514  607.829   79.101  219.042   30.938  217.061   14.679 1.980667 34.24349 
1 1 1   -9    6   40 o  122.326   16.398  197.766   48.830  247.094  131.542  189.883   52.587  124.363   38.452  119.052   18.272 5.310165 42.57281 
1 1 1   -9    6   41 o  319.882   15.211  1331.48  121.503  1191.78  246.748  1376.20  139.601  276.246   36.676  322.834   17.381 -46.58746 40.58544 
1 1 1   -9    6   42 f   92.600   14.585  114.002   32.610 -10.2591  143.475  120.771   33.486   75.663   34.465   95.389   14.516 -19.72591 37.39713 
1 1 1   -9    6   43 o  171.226   12.585  380.929   53.434  546.634  178.930  364.705   55.989  175.951   41.412  167.012   13.541 8.939911 43.56945 
1 1 1   -9    6   44 o  134.157   13.406  236.986   44.312  118.581  179.531  244.667   45.727   92.684   40.605  136.219   13.625 -43.53430 42.82986 
1 1 1   -9    6   45 o  179.417   20.112  452.706   88.557  375.348  217.787  468.030   96.933  122.019   48.253  180.595   21.945 -58.57620 53.00887 
1 1 1   -9    7    1 o  528.128   16.703  3495.32  220.281  3482.74  311.360  3507.92  311.688  526.206   23.695  528.115   23.634 -1.909241 33.46680 
1 1 1   -9    7    2 o  495.544   16.094  3076.48  199.153  3117.63  281.639  3035.32  281.650  498.024   22.646  491.361   22.954 6.662842 32.24484 
1 1 1   -9    7    3 o  252.842   10.266  799.312   64.819  798.831   91.471  799.798   91.867  252.171   14.588  252.318   14.643 -0.1469879 20.66953 
1 1 1   -9    7    4 o  776.791   23.902  7590.00  463.653  7635.94  655.695  7544.06  655.714  776.274   33.825  771.520   34.034 4.754272 47.98388 
1 1 1   -9    7    5 o  701.065   21.661  6173.95  379.224  6146.31  536.216  6201.59  536.390  697.352   30.792  700.517   30.663 -3.164429 43.45517 
1 1 1   -9    7    6 o  966.977   29.361 11804.03  708.991 12167.85  1003.00 11440.69  1002.33  976.641   41.126  946.370   42.413 30.27100 59.07788 
1 1 1   -9    7    7 o  353.652   12.487  1564.71  110.274  1611.52  155.984  1517.94  155.918  358.568   17.420  347.492   18.030 11.07581 25.07092 
1 1 1   -9    7    8 o  982.515   29.943 12189.47  734.651 12249.85  1038.95 12129.09  1038.95  979.414   42.480  974.464   42.695 4.949951 60.22784 
1 1 1   -9    7    9 o  756.592   23.348  7196.28  441.116  7413.99  624.077  6978.90  623.588  765.469   32.648  742.367   33.638 23.10199 46.87661 
1 1 1   -9    7   10 o   90.922   9.1279  104.363   20.445   87.872   28.434  122.016   29.418   82.611   14.301   97.998   12.292 -15.38735 18.85755 
1 1 1   -9    7   11 o  551.403   17.602  3811.07  242.374  3731.15  342.574  3891.18  342.964  544.484   25.195  556.124   24.696 -11.64032 35.28022 
1 1 1   -9    7   12 o  429.366   14.379  2307.89  154.168  2321.91  218.023  2293.88  218.030  430.110   20.299  427.492   20.424 2.617981 28.79547 
1 1 1   -9    7   13 o  368.909   12.957  1702.94  119.369  1677.97  168.691  1727.99  168.935  365.313   18.553  371.218   18.224 -5.904877 26.00586 
1 1 1   -9    7   14 o  489.035   32.476  3040.78  394.344   0.0000   0.0000  3040.78  394.344  ?   ?   489.035   32.476 0.000000 32.47590 
1 1 1   -9    7   15 o   76.425   15.791   75.876   29.141   76.427   45.004   75.478   38.239   77.123   22.181   76.151   19.891 0.9715500 29.79327 
1 1 1   -9    7   16 o  257.638   15.104  834.412   96.749  762.075  138.376  903.589  135.322  245.061   22.876  267.423   20.418 -22.36205 30.66302 
1 1 1   -9    7   17 o  231.779   9.7313  671.786   56.324  680.255   79.608  663.298   79.700  232.654   13.764  229.705   13.961 2.949036 19.60445 
1 1 1   -9    7   18 o  500.022   16.420  3136.80  205.024  3147.60  289.924  3126.00  289.971  499.682   23.235  497.947   23.320 1.735168 32.91903 
1 1 1   -9    7   19 o  539.913   17.249  3661.43  232.557  3690.36  328.872  3632.49  328.898  540.450   24.368  536.144   24.566 4.304993 34.60168 
1 1 1   -9    7   20 o  223.460   10.073  624.905   56.212  616.368   79.565  633.411   79.426  221.192   14.485  224.272   14.256 -3.080307 20.32328 
1 1 1   -9    7   21 o  542.193   20.420  3709.63  276.480  3338.36  479.480  3894.57  338.406  506.448   38.194  554.279   24.449 -47.83032 45.34871 
1 1 1   -9    7   22 o  379.006   15.509  1806.09  146.789  1790.22  256.819  1813.79  178.889  373.542   27.730  379.177   18.893 -5.634888 33.55400 
1 1 1   -9    7   23 o  244.813   11.981  751.873   73.243  771.252  131.236  743.107   88.268  245.745   21.605  242.669   14.634 3.075668 26.09490 
1 1 1   -9    7   24 o  127.963   21.069  212.995   64.982   0.0000   0.0000  212.995   64.982  ?   ?   127.963   21.069 0.000000 21.06915 
1 1 1   -9    7   25 o  371.796   27.251  1786.82  251.249   0.0000   0.0000  1786.82  251.249  ?   ?   371.796   27.251 0.000000 27.25122 
1 1 1   -9    7   26 o  239.606   11.969  721.336   71.618  746.581  130.819  710.531   85.582  241.052   21.974  237.022   14.529 4.029922 26.34297 
1 1 1   -9    7   27 o  233.164   12.160  685.254   70.557  713.435  129.396  673.330   84.172  235.379   22.279  230.622   14.692 4.756500 26.68747 
1 1 1   -9    7   28 o  219.057   11.959  605.027   65.172  654.838  123.083  585.622   76.825  225.359   22.158  215.034   14.390 10.32484 26.42023 
1 1 1   -9    7   29 o  108.689   11.658  150.165   31.146  289.968   74.456  120.511   34.291  149.543   20.476   96.670   14.665 52.87251 25.18587 
1 1 1   -9    7   30 o  105.927   13.209  143.472   34.180  142.801   78.396  143.630   37.980  103.240   29.137  105.674   14.798 -2.433769 32.67958 
1 1 1   -9    7   31 o  493.090   20.962  3105.87  258.118  3805.66  374.878  2475.04  355.927  540.537   27.867  431.796   33.265 108.7413 43.39532 
1 1 1   -9    7   32 o  114.150   12.861  166.182   36.022  231.904   88.923  153.279   39.400  131.222   27.990  109.181   14.835 22.04144 31.67875 
1 1 1   -9    7   33 o  325.552   13.522  1337.18  109.932  1541.70  206.531  1256.33  129.856  344.921   24.130  314.313   16.603 30.60703 29.29044 
1 1 1   -9    7   34 o  314.332   14.609  1249.76  114.673  1236.39  213.697  1255.17  135.896  306.180   28.269  313.707   17.416 -7.527252 33.20271 
1 1 1   -9    7   35 o  195.408   12.336  483.504   59.887  578.436  133.662  459.661   66.986  209.073   26.175  190.072   14.216 19.00166 29.78610 
1 1 1   -9    7   36 o  249.930   22.962  817.419  141.706   0.0000   0.0000  817.419  141.706  ?   ?   249.930   22.962 0.000000 22.96157 
1 1 1   -9    7   37 o   95.911   15.275  119.988   35.357   0.0000   0.0000  119.988   35.357  ?   ?    95.911   15.275 0.000000 15.27465 
1 1 1   -9    7   38 o   78.281   18.563   82.356   35.738   48.224  108.732   86.490   37.840   80.899   33.331   80.131   19.168 0.7687302 38.44973 
1 1 1   -9    7   39 o  403.868   16.724  2109.23  168.664  2132.92  315.358  2099.74  199.613  386.511   32.989  400.022   19.983 -13.51105 38.56923 
1 1 1   -9    7   40 o  154.314   12.432  306.074   47.501  330.870  138.617  302.775   50.563  145.161   37.850  153.140   13.355 -7.979187 40.13670 
1 1 1   -9    7   41 o  251.949   16.908  835.140  105.765  1031.16  194.138  752.407  126.125  266.808   29.639  235.263   21.713 31.54532 36.74137 
1 1 1   -9    7   42 o  149.438   12.666  289.390   46.823  454.858  156.483  273.118   49.071  166.320   38.446  144.680   13.747 21.63992 40.83023 
1 1 1   -9    7   43 o  154.126   12.976  309.258   49.479  252.174  166.869  314.761   51.809  116.954   43.206  155.242   13.499 -38.28813 45.26519 
1 1 1   -9    7   44 o  146.193   13.396  280.435   48.360  134.217  171.855  293.009   50.397   95.241   40.716  149.312   13.668 -54.07086 42.94842 
1 1 1   -9    7   45 o  111.982   13.846  166.892   37.895  273.125  192.772  162.622   38.649  111.797   44.999  110.262   14.379 1.535294 47.24027 
1 1 1   -9    8    1 o  510.737   23.341  3280.75  297.691  3113.64  420.730  3448.29  421.267  494.362   34.293  520.867   32.551 -26.50488 47.28163 
1 1 1   -9    8    2 o  300.477   15.878  1134.20  118.719  1064.58  167.689  1204.17  168.100  290.033   23.351  308.803   21.942 -18.77054 32.04224 
1 1 1   -9    8    3 o  267.468   14.905  898.603   99.160  871.872  140.360  925.237  140.106  262.574   21.598  270.649   20.892 -8.074158 30.04874 
1 1 1   -9    8    4 o  507.205   16.150  3223.03  204.553  3141.82  289.005  3304.55  289.560  499.879   23.152  512.743   22.615 -12.86429 32.36407 
1 1 1   -9    8    5 o  235.494   9.9255  693.321   58.369  739.004   82.478  647.487   82.614  242.607   13.670  226.937   14.656 15.66985 20.04168 
1 1 1   -9    8    6 o  508.673   16.422  3241.96  208.596  3377.65  295.108  3106.46  294.891  518.377   22.797  496.989   23.761 21.38800 32.92876 
1 1 1   -9    8    7 o  238.195   10.010  709.323   59.543  739.370   84.116  679.146   84.298  242.643   13.941  232.451   14.596 10.19281 20.18421 
1 1 1   -9    8    8 o  433.291   14.392  2350.32  155.718  2559.96  220.544  2141.92  219.895  451.699   19.552  412.427   21.425 39.27121 29.00525 
1 1 1   -9    8    9 o  378.645   12.852  1793.90  121.525  1787.63  171.798  1800.18  171.928  377.582   18.220  378.909   18.170 -1.327118 25.73203 
1 1 1   -9    8   10 o  399.105   13.498  1993.44  134.524  2019.09  190.171  1967.76  190.320  401.209   18.981  396.051   19.243 5.158051 27.02954 
1 1 1   -9    8   11 o  525.303   16.874  3458.01  221.350  3560.46  313.228  3355.82  312.844  532.105   23.573  516.479   24.256 15.62537 33.82379 
1 1 1   -9    8   12 o  473.584   15.582  2809.22  184.272  2788.01  260.487  2830.47  260.714  471.035   22.145  474.629   21.997 -3.593689 31.21335 
1 1 1   -9    8   13 o  405.924   28.000  2088.39  282.088   0.0000   0.0000  2088.39  282.088  ?   ?   405.924   28.000 0.000000 27.99968 
1 1 1   -9    8   14 o  307.205   23.463  1194.05  178.638  1194.05  178.638   0.0000   0.0000  307.205   23.463  ?   ?  0.000000 23.46342 
1 1 1   -9    8   15 o  292.675   14.748  1075.59  107.444  1395.34  154.817  778.477  149.235  332.937   18.697  247.452   24.471 85.48561 30.79640 
1 1 1   -9    8   16 f  242.839   10.412  737.531   63.137  718.227   88.688  757.368   89.904  238.968   14.937  245.441   14.737 -6.473206 20.98278 
1 1 1   -9    8   17 o  390.135   13.609  1906.32  132.582  1919.62  187.362  1892.97  187.636  390.898   19.194  388.155   19.358 2.743469 27.26068 
1 1 1   -9    8   18 o  301.572   11.324  1138.24   85.279  1096.53  120.318  1180.35  120.891  295.163   16.388  306.346   15.857 -11.18323 22.80381 
1 1 1   -9    8   19 o  194.562   9.3115  473.493   45.241  519.113   64.159  428.381   63.802  203.170   12.710  184.335   13.964 18.83482 18.88214 
1 1 1   -9    8   20 o  372.160   12.399  1735.49  115.235  1754.93  162.978  1716.06  162.955  373.588   17.470  369.398   17.665 4.190155 24.84463 
1 1 1   -9    8   21 o  492.472   16.079  3048.59  197.736  3032.18  279.612  3065.00  279.672  489.472   22.876  492.148   22.756 -2.676483 32.26691 
1 1 1   -9    8   22 o  411.987   13.467  2130.61  138.550  2101.77  195.977  2159.44  195.902  408.062   19.232  413.684   18.964 -5.622223 27.00908 
1 1 1   -9    8   23 o  446.868   17.313  2518.23  193.198  2552.73  337.112  2501.35  235.755  444.342   30.567  444.257   21.251 0.8508301E-01 37.22838 
1 1 1   -9    8   24 f  165.454   10.773  344.712   44.268  398.364   85.095  324.805   51.834  176.313   19.662  160.258   13.066 16.05540 23.60764 
1 1 1   -9    8   25 o  472.503   32.821  2921.98  384.859   0.0000   0.0000  2921.98  384.859  ?   ?   472.503   32.821 0.000000 32.82079 
1 1 1   -9    8   26 o  318.611   14.273  1278.77  113.562  1162.72  200.876  1333.29  137.675  299.254   27.177  324.287   17.061 -25.03311 32.08826 
1 1 1   -9    8   27 o  109.142   12.825  151.866   34.287   88.315   71.548  170.811   39.065   84.831   28.549  115.660   13.798 -30.82909 31.70861 
1 1 1   -9    8   28 o  185.910   12.609  436.776   58.192  254.148  108.645  510.247   68.911  136.725   32.329  200.775   13.829 -64.04930 35.16273 
1 1 1   -9    8   29 o  173.130   11.763  378.512   50.554  427.330  100.425  361.942   58.507  181.419   22.661  168.880   14.000 12.53824 26.63702 
1 1 1   -9    8   30 f  117.739   13.125  176.697   37.933  130.223   83.464  188.796   42.586   99.465   30.609  121.527   14.307 -22.06242 33.78733 
1 1 1   -9    8   31 o  136.225   15.038  237.168   50.305  200.522   91.882  252.854   60.115  121.546   30.361  140.147   17.563 -18.60109 35.07465 
1 1 1   -9    8   32 o  373.724   18.388  1775.67  171.609  1970.30  253.224  1610.36  233.373  389.326   26.198  351.496   26.789 37.83026 37.47034 
1 1 1   -9    8   33 o  203.835   11.907  524.663   60.346  691.385  127.532  476.564   68.500  231.083   22.381  193.751   14.258 37.33107 26.53675 
1 1 1   -9    8   34 o  386.729   14.777  1891.81  142.704  2424.69  264.441  1672.87  169.504  432.284   24.598  361.752   18.829 70.53146 30.97751 
1 1 1   -9    8   35 o  303.538   13.793  1164.75  104.549  1279.84  201.354  1122.27  122.333  312.345   26.053  296.704   16.577 15.64090 30.87974 
1 1 1   -9    8   36 o  233.900   13.321  694.246   77.482  589.199  160.218  726.314   88.522  207.666   31.917  238.777   14.921 -31.11122 35.23246 
1 1 1   -9    8   37 o  137.324   23.739  252.965   78.462   0.0000   0.0000  252.965   78.462  ?   ?   137.324   23.739 0.000000 23.73922 
1 1 1   -9    8   38 o  117.162   13.342  176.649   38.340  235.032  120.904  170.121   40.427  126.706   36.330  114.660   14.439 12.04638 39.09459 
1 1 1   -9    8   39 o  311.615   15.036  1245.85  117.001  1088.05  227.513  1302.59  136.423  275.458   33.783  316.837   17.308 -41.37869 37.95884 
1 1 1   -9    8   40 o   99.404   14.116  129.199   34.055  186.949  127.499  124.763   35.339  111.088   38.106   97.368   15.017 13.71928 40.95864 
1 1 1   -9    8   41 o  260.984   13.128  876.926   85.285  1125.39  195.486  818.518   94.781  281.251   28.214  250.834   15.203 30.41718 32.04950 
1 1 1   -9    8   42 o   94.947   18.088  122.757   41.322   72.223  140.996  127.505   43.219   86.986   37.025   96.601   18.591 -9.615410 41.43024 
1 1 1   -9    8   43 o  115.122   13.967  174.329   39.331   14.132  153.594  185.570   40.687   80.206   36.184  118.816   13.980 -38.61050 38.79087 
1 1 1   -9    8   44 o   48.878   16.568   30.210   24.097  100.835  162.226   28.616   24.368   90.774   39.192   48.088   16.650 42.68559 42.58219 
1 1 1   -9    8   45 o   43.724   16.150   21.344   23.314  105.165  171.876   19.773   23.532   89.894   39.547   43.030   16.159 46.86398 42.72141 
1 1 1   -9    8   46 o   66.817   17.276   62.917   29.038   0.0000   0.0000   62.917   29.038  ?   ?    66.817   17.276 0.000000 17.27565 
1 1 1   -9    9    1 o  165.375   9.0727  342.895   37.324  345.987   52.285  339.683   53.299  165.791   12.726  164.223   13.106 1.567947 18.26785 
1 1 1   -9    9    2 o  403.616   13.736  2039.31  138.443  2044.58  195.643  2034.01  195.934  403.617   19.411  402.564   19.491 1.053436 27.50741 
1 1 1   -9    9    3 o  275.011   10.737  945.798   73.736  945.652  104.003  945.945  104.556  274.352   15.241  274.386   15.321 -0.3396606E-01 21.61010 
1 1 1   -9    9    4 o  330.231   16.885  1370.36  138.780  1239.43  196.112  1501.70  196.417  312.722   25.330  344.840   22.940 -32.11798 34.17426 
1 1 1   -9    9    5 o  467.242   21.709  2742.96  253.299  2575.90  358.019  2910.39  358.420  450.047   32.066  479.003   30.118 -28.95657 43.99210 
1 1 1   -9    9    6 o  615.024   27.517  4770.12  422.619  4690.46  597.726  4849.75  597.621  605.398   39.759  615.890   39.059 -10.49231 55.73500 
1 1 1   -9    9    7 o  254.866   14.509  815.909   91.960  869.564  130.590  763.131  129.519  262.450   20.078  245.579   21.332 16.87022 29.29461 
1 1 1   -9    9    8 o  155.367   12.522  303.963   48.171  299.063   68.680  308.708   67.583  153.354   18.295  155.934   17.668 -2.580322 25.43348 
1 1 1   -9    9    9 o  566.820   25.615  4046.07  362.562  3951.61  512.843  4140.45  512.637  556.391   37.124  569.883   36.210 -13.49225 51.85921 
1 1 1   -9    9   10 o  347.969   17.617  1521.85  152.585  1461.13  216.201  1582.12  215.377  339.669   25.679  353.737   24.534 -14.06766 35.51456 
1 1 1   -9    9   11 o  307.227   16.306  1185.99  124.649  1153.69  177.109  1217.69  175.463  301.940   23.679  310.399   22.796 -8.459259 32.86897 
1 1 1   -9    9   12 o  285.863   15.774  1026.84  112.165  873.239  159.126  1178.53  158.130  262.264   24.584  305.632   20.843 -43.36868 32.23048 
1 1 1   -9    9   13 o  115.636   13.948  169.821   39.463  155.222   59.094  181.571   53.017  109.149   22.431  118.928   18.449 -9.779091 29.04331 
1 1 1   -9    9   14 f  526.685   24.167  3492.72  317.848  3350.35  449.951  3634.52  449.061  512.248   35.392  534.118   33.843 -21.86963 48.96878 
1 1 1   -9    9   15 o  336.157   17.433  1421.18  145.837  1328.58  207.175  1512.14  205.325  323.563   25.857  345.703   23.931 -22.14041 35.23179 
1 1 1   -9    9   16 o  417.639   14.212  2184.95  148.217  2167.25  209.330  2202.75  209.892  415.255   20.187  418.657   20.076 -3.402161 28.47042 
1 1 1   -9    9   17 o  362.243   12.955  1643.26  117.193  1643.61  165.509  1642.90  165.965  361.278   18.406  361.191   18.462 0.8688354E-01 26.07014 
1 1 1   -9    9   18 o  494.200   16.235  3065.10  200.363  2984.42  283.073  3146.10  283.639  486.340   23.308  499.466   22.741 -13.12564 32.56411 
1 1 1   -9    9   19 o  245.728   10.564  755.739   64.826  752.079   91.377  759.447   91.981  244.376   15.047  245.570   15.072 -1.194656 21.29737 
1 1 1   -9    9   20 o  361.269   13.104  1636.31  118.215  1643.21  167.041  1629.39  167.323  360.812   18.603  359.263   18.715 1.548615 26.38785 
1 1 1   -9    9   21 f  169.659   9.0864  361.217   38.356  380.901   54.366  341.709   54.123  173.839   12.609  164.513   13.288 9.325775 18.31833 
1 1 1   -9    9   22 o  351.528   11.876  1549.49  104.253  1566.89  147.538  1532.15  147.335  352.755   16.749  348.793   16.916 3.962341 23.80447 
1 1 1   -9    9   23 o  415.233   14.489  2168.14  150.241  2259.60  212.697  2077.06  212.249  422.505   20.159  404.295   21.096 18.20990 29.17964 
1 1 1   -9    9   24 o  224.477   12.056  634.398   67.332  567.871  121.376  663.972   80.926  209.847   23.570  229.304   14.203 -19.45676 27.51825 
1 1 1   -9    9   25 o  217.149   21.175  604.924  113.360   0.0000   0.0000  604.924  113.360  ?   ?   217.149   21.175 0.000000 21.17458 
1 1 1   -9    9   26 f  197.115   20.936  499.651  101.477   0.0000   0.0000  499.651  101.477  ?   ?   197.115   20.936 0.000000 20.93605 
1 1 1   -9    9   27 o  237.540   12.570  711.562   74.299  633.304  134.985  745.578   88.994  220.816   24.915  242.721   14.753 -21.90497 28.95527 
1 1 1   -9    9   28 o  224.051   12.572  633.438   70.058  578.690  129.316  656.181   83.349  210.811   25.055  227.609   14.744 -16.79733 29.07122 
1 1 1   -9    9   29 o  237.061   13.041  709.632   76.906  558.334  141.012  773.688   91.753  205.812   28.177  247.139   14.937 -41.32782 31.89135 
1 1 1   -9    9   30 o  380.923   15.622  1833.98  148.601  1934.22  264.921  1787.96  179.498  385.332   27.717  374.470   19.260 10.86273 33.75174 
1 1 1   -9    9   31 o  143.814   11.927  261.881   42.448  353.858   93.979  238.307   47.578  164.492   23.551  136.742   14.137 27.74947 27.46864 
1 1 1   -9    9   32 o   90.062   17.384  106.255   37.681   33.810   84.001  124.505   42.160   73.024   29.595   97.550   17.969 -24.52562 34.62273 
1 1 1   -9    9   33 o  285.095   12.931  1024.32   92.058  1155.79  174.893  973.934  108.271  298.780   23.634  276.957   15.720 21.82242 28.38415 
1 1 1   -9    9   34 o  467.734   17.262  2779.68  201.620  3149.80  362.617  2614.05  242.572  488.798   29.851  451.429   21.518 37.36945 36.79792 
1 1 1   -9    9   35 o  258.408   13.812  846.281   88.803  737.040  174.717  884.331  103.115  234.409   30.576  263.593   15.737 -29.18396 34.38792 
1 1 1   -9    9   36 o  302.866   16.514  1171.16  124.428   0.0000   0.0000  1171.16  124.428  ?   ?   302.866   16.514 0.000000 16.51436 
1 1 1   -9    9   37 o   78.778   32.498   39.019  103.526   39.019  103.526   0.0000   0.0000   78.778   32.498  ?   ?  0.000000 32.49808 
1 1 1   -9    9   38 o  117.870   24.993  190.222   71.284   0.0000   0.0000  190.222   71.284  ?   ?   117.870   24.993 0.000000 24.99340 
1 1 1   -9    9   39 o  244.868   13.007  765.563   79.251  896.114  174.195  731.488   88.994  255.496   27.749  238.467   15.021 17.02971 31.55349 
1 1 1   -9    9   40 o  126.618   13.052  206.908   40.676  243.631  133.283  203.136   42.714  125.084   38.711  125.177   13.899 -0.9236908E-01 41.13062 
1 1 1   -9    9   41 o  107.955   13.533  151.913   35.682  459.329  141.684  131.096   36.870  174.808   33.678   99.580   15.318 75.22814 36.99820 
1 1 1   -9    9   42 o  139.995   12.931  254.073   44.694  302.838  154.240  249.603   46.698  132.590   41.744  138.445   13.686 -5.854965 43.93019 
1 1 1   -9    9   43 o  123.051   16.804  202.715   50.286  346.410  161.298  187.246   52.924  139.186   42.504  117.275   18.700 21.91051 46.43561 
1 1 1   -9    9   44 o  222.771   13.430  646.570   74.361  693.416  204.458  639.429   79.828  197.680   42.669  220.730   14.564 -23.04993 45.08600 
1 1 1   -9    9   45 o  119.955   13.649  190.125   40.157  409.020  187.823  179.640   41.108  139.764   46.240  116.167   14.485 23.59678 48.45572 
1 1 1   -9    9   46 o  132.797   13.922  234.516   45.482   19.842  206.596  245.450   46.626   82.897   38.980  135.874   13.939 -52.97638 41.39695 
1 1 1   -9   10    1 o  327.585   11.764  1342.68   96.232  1277.86  135.543  1408.55  136.649  318.761   17.090  335.203   16.325 -16.44211 23.63418 
1 1 1   -9   10    2 o  201.514   9.5142  507.698   47.877  497.818   67.249  517.853   68.178  198.943   13.618  202.934   13.531 -3.991241 19.19774 
1 1 1   -9   10    3 o  259.997   10.434  845.349   67.743  856.297   95.496  834.258   96.114  261.064   14.708  257.638   15.004 3.425201 21.01086 
1 1 1   -9   10    4 o  320.722   11.686  1286.81   93.592  1269.79  132.010  1304.01  132.712  317.843   16.690  322.126   16.554 -4.283142 23.50751 
1 1 1   -9   10    5 o  281.603   10.835  991.755   76.195  944.462  107.292  1039.87  108.226  274.110   15.740  287.738   15.115 -13.62726 21.82263 
1 1 1   -9   10    6 o  363.981   12.571  1657.77  114.265  1519.62  160.991  1798.01  162.205  347.543   18.618  378.709   17.152 -31.16602 25.31398 
1 1 1   -9   10    7 o  307.198   11.445  1180.43   87.799  1100.39  123.701  1261.68  124.636  295.820   16.815  317.343   15.728 -21.52228 23.02389 
1 1 1   -9   10    8 o  320.543   16.704  1291.27  133.247  1251.30  188.801  1330.94  188.082  314.395   24.235  324.455   23.370 -10.05963 33.66727 
1 1 1   -9   10    9 o  173.842   12.836  380.243   55.329  400.503   78.948  360.688   77.564  177.801   18.030  168.531   18.748 9.269501 26.01106 
1 1 1   -9   10   10 o  1138.13   49.852 16729.17  1416.85 16488.51  2003.72 16969.84  2003.74  1107.35   72.867  1124.70   71.717 -17.34839 102.2400 
1 1 1   -9   10   11 o  315.151   16.582  1248.29  130.037  1232.11  184.732  1264.17  183.079  311.997   23.892  316.146   23.355 -4.148987 33.41114 
1 1 1   -9   10   12 o  435.578   29.595  2409.17  320.002   0.0000   0.0000  2409.17  320.002  ?   ?   435.578   29.595 0.000000 29.59507 
1 1 1   -9   10   13 o  674.627   43.415  5862.05  727.518  5862.05  727.518   0.0000   0.0000  674.627   43.415  ?   ?  0.000000 43.41525 
1 1 1   -9   10   14 o  497.565   15.974  3103.23  198.484  3056.58  280.521  3150.00  280.878  492.818   22.794  500.347   22.480 -7.528381 32.01457 
1 1 1   -9   10   15 o  163.255   9.5151  334.395   38.623  322.823   54.063  346.458   55.197  159.975   13.664  165.794   13.448 -5.818985 19.17175 
1 1 1   -9   10   16 o  671.151   21.045  5667.42  352.712  5561.73  498.505  5773.37  499.115  662.214   30.145  674.878   29.616 -12.66431 42.25922 
1 1 1   -9   10   17 o  381.075   13.242  1819.18  126.010  1771.86  177.878  1866.86  178.533  374.950   19.060  385.425   18.549 -10.47528 26.59650 
1 1 1   -9   10   18 o  356.196   12.905  1589.60  114.791  1560.70  161.985  1618.75  162.697  351.833   18.502  358.382   18.240 -6.549194 25.98090 
1 1 1   -9   10   19 o  404.478   13.006  2050.58  131.368  1966.67  185.350  2135.27  186.217  395.296   18.777  412.008   18.099 -16.71201 26.07973 
1 1 1   -9   10   20 f  336.008   12.282  1415.03  103.057  1378.78  145.484  1451.55  146.006  330.543   17.689  339.254   17.292 -8.711761 24.73701 
1 1 1   -9   10   21 o  328.567   12.167  1353.53   99.831  1339.10  140.844  1368.10  141.524  325.659   17.382  329.199   17.276 -3.540283 24.50687 
1 1 1   -9   10   22 o  166.865   8.8372  349.481   36.693  354.229   51.548  344.604   52.242  167.578   12.406  165.224   12.761 2.353912 17.79758 
1 1 1   -9   10   23 o  213.496   9.9827  571.096   53.222  590.483   75.408  551.854   75.127  216.278   14.038  208.979   14.485 7.299042 20.17169 
1 1 1   -9   10   24 o  152.161   9.8272  291.356   37.141  338.377   52.853  245.481   52.205  163.578   13.047  138.771   15.320 24.80721 20.12303 
1 1 1   -9   10   25 o  405.495   16.295  2075.67  164.999  1997.08  288.846  2113.74  201.025  391.787   29.745  408.161   19.723 -16.37442 35.69000 
1 1 1   -9   10   26 o  191.801   21.034  473.530   99.093   0.0000   0.0000  473.530   99.093  ?   ?   191.801   21.034 0.000000 21.03430 
1 1 1   -9   10   27 o  110.084   13.401  154.754   36.078   44.477   73.740  189.460   41.368   72.556   28.261  121.884   13.837 -49.32826 31.46635 
1 1 1   -9   10   28 o  333.179   14.537  1400.00  120.951  1335.53  214.842  1429.92  146.346  320.466   27.100  335.525   17.527 -15.05856 32.27446 
1 1 1   -9   10   29 o  280.409   13.517  990.569   94.651  929.248  171.330  1017.51  113.552  267.273   25.999  283.225   16.122 -15.95197 30.59204 
1 1 1   -9   10   30 o  477.353   18.337  2893.12  218.579  3006.06  384.622  2839.25  265.645  477.278   32.464  470.868   22.592 6.409302 39.55125 
1 1 1   -9   10   31 o  105.519   14.131  142.864   36.300  156.381   88.092  140.100   39.840  107.869   31.035  104.126   15.819 3.743988 34.83421 
1 1 1   -9   10   32 o   91.404   14.928  108.189   32.898   89.111   85.664  111.490   35.630   87.453   31.142   92.601   15.986 -5.148209 35.00541 
1 1 1   -9   10   33 o  232.657   15.852  688.307   91.551  656.072  145.401  709.481  117.845  223.510   26.571  234.893   20.290 -11.38322 33.43209 
1 1 1   -9   10   34 f  157.441   13.218  314.792   51.486  342.175  116.784  308.185   57.362  158.960   30.530  155.402   14.966 3.558075 34.00091 
1 1 1   -9   10   35 o  441.190   16.840  2474.13  185.533  2811.06  336.880  2327.44  222.281  461.213   29.403  425.880   20.901 35.33237 36.07470 
1 1 1   -9   10   36 o  169.361   12.778  364.277   53.645  480.981  130.735  340.649   58.825  189.113   28.574  163.325   14.576 25.78773 32.07750 
1 1 1   -9   10   37 o  134.825   13.514  232.577   44.888  309.104  124.495  221.141   48.125  147.724   34.391  131.074   14.971 16.65019 37.50883 
1 1 1   -9   10   38 o  100.019   14.955  130.221   36.207   92.970  117.003  134.166   38.075   92.181   35.684  101.397   15.532 -9.215195 38.91780 
1 1 1   -9   10   39 o  106.677   26.096  158.665   68.947   0.0000   0.0000  158.665   68.947  ?   ?   106.677   26.096 0.000000 26.09640 
1 1 1   -9   10   40 o  106.794   14.652  148.978   38.044  143.882  127.954  149.473   39.846  102.062   37.808  106.735   15.395 -4.673225 40.82196 
1 1 1   -9   10   41 o  121.553   13.491  191.839   40.260  179.296  137.562  193.014   42.104  108.528   39.362  121.713   14.115 -13.18436 41.81651 
1 1 1   -9   10   42 f  228.911   12.705  674.829   72.342  1052.73  187.662  608.868   78.402  271.162   28.123  216.349   14.597 54.81262 31.68540 
1 1 1   -9   10   43 o  135.277   13.587  238.794   45.278  213.132  156.376  241.142   47.304  112.028   41.738  135.695   14.169 -23.66627 44.07713 
1 1 1   -9   10   44 o  145.274   16.969  282.878   60.400  386.635  176.204  269.063   64.296  142.889   44.557  140.592   18.783 2.296387 48.35447 
1 1 1   -9   10   45 o   64.407   17.314   57.487   28.447  110.772  177.973   56.090   28.818   92.531   40.486   63.616   17.563 28.91570 44.13116 
1 1 1   -9   10   46 o  188.709   13.012  467.317   60.945  709.125  222.170  447.641   63.376  183.496   47.953  184.059   13.891 -0.5626831 49.92406 
1 1 1   -9   11    1 o  285.917   10.935  1022.74   78.075  999.948  109.879  1045.99  110.958  281.987   15.666  288.452   15.460 -6.465515 22.00995 
1 1 1   -9   11    2 f  656.550   20.369  5418.07  333.957  5151.54  471.660  5686.02  472.916  637.848   29.612  670.542   28.243 -32.69342 40.92062 
1 1 1   -9   11    3 o  417.156   13.772  2179.22  143.468  2119.02  202.537  2239.85  203.254  410.714   19.748  422.322   19.273 -11.60773 27.59363 
1 1 1   -9   11    4 o  152.743   9.0584  292.688   34.397  298.271   47.987  286.787   49.331  153.862   12.600  150.779   13.236 3.083481 18.27390 
1 1 1   -9   11    5 o  151.965   9.2131  289.768   34.797  283.691   48.546  296.189   49.903  149.975   13.094  153.259   13.167 -3.283951 18.56926 
1 1 1   -9   11    6 o  244.364   10.176  746.723   62.097  726.143   87.318  767.783   88.327  240.337   14.618  247.183   14.372 -6.845947 20.49976 
1 1 1   -9   11    7 o  293.808   11.245  1079.82   82.505  1090.19  116.471  1069.38  116.890  294.518   15.895  291.659   16.112 2.858765 22.63277 
1 1 1   -9   11    8 o  473.918   15.493  2814.18  183.349  2664.27  258.833  2965.17  259.758  460.227   22.522  485.691   21.417 -25.46472 31.07904 
1 1 1   -9   11    9 f  282.777   11.037  1000.19   77.934  999.826  109.977  1000.56  110.457  282.037   15.677  282.134   15.741 -0.9674072E-01 22.21556 
1 1 1   -9   11   10 o  454.719   15.085  2590.39  171.291  2752.87  242.317  2428.10  242.167  468.066   20.731  438.844   22.170 29.22226 30.35271 
1 1 1   -9   11   11 o  330.076   13.860  1364.27  114.240  1224.47  197.472  1434.59  140.056  310.592   25.691  338.266   16.580 -27.67453 30.57668 
1 1 1   -9   11   12 o  319.166   16.823  1280.94  133.607  1280.94  133.607   0.0000   0.0000  319.166   16.823  ?   ?  0.000000 16.82278 
1 1 1   -9   11   13 o  897.214   27.306 10170.00  611.791 10730.14  865.794  9611.39  864.614  916.681   37.822  866.461   39.960 50.21973 55.02082 
1 1 1   -9   11   14 f  357.183   12.556  1597.12  111.993  1537.96  158.008  1656.84  158.757  349.543   18.165  363.354   17.497 -13.81079 25.22071 
1 1 1   -9   11   15 o  192.514   8.7879  463.378   42.247  431.585   59.031  496.764   60.490  185.209   12.843  198.828   12.243 -13.61902 17.74299 
1 1 1   -9   11   16 o  149.972   9.6171  282.471   35.827  271.237   50.034  294.292   51.324  146.478   13.843  152.659   13.606 -6.180725 19.40984 
1 1 1   -9   11   17 o  329.438   11.999  1359.06   98.708  1353.69  139.218  1364.49  139.973  327.860   17.063  329.165   17.087 -1.305176 24.14807 
1 1 1   -9   11   18 o  338.244   12.451  1433.41  105.173  1424.77  148.383  1442.13  149.093  336.173   17.738  338.227   17.714 -2.053497 25.06830 
1 1 1   -9   11   19 o  242.327   10.661  735.226   64.511  778.516   91.100  691.683   91.365  248.619   14.739  234.147   15.717 14.47183 21.54685 
1 1 1   -9   11   20 o  339.172   12.273  1442.13  103.949  1425.33  146.661  1459.09  147.354  336.043   17.538  340.036   17.412 -3.993469 24.71342 
1 1 1   -9   11   21 o  272.843   11.045  932.856   75.251  908.920  106.044  957.136  106.803  268.343   15.896  275.449   15.591 -7.105530 22.26568 
1 1 1   -9   11   22 o  126.588   9.7853  201.901   30.693  193.049   42.847  211.230   43.987  123.137   14.194  128.928   13.881 -5.790550 19.85343 
1 1 1   -9   11   23 o  108.702   9.5058  149.137   25.544  149.301   35.455  148.961   36.832  108.188   13.411  107.962   13.991 0.2261429 19.38042 
1 1 1   -9   11   24 o  129.154   9.6260  210.182   30.823  207.615   43.073  212.877   44.126  127.757   13.716  129.357   13.877 -1.599533 19.51121 
1 1 1   -9   11   25 o  456.084   15.640  2624.17  178.127  2689.76  251.811  2558.47  252.008  459.470   21.947  447.299   22.635 12.17078 31.52767 
1 1 1   -9   11   26 o  190.517   21.407  467.879  100.081   0.0000   0.0000  467.879  100.081  ?   ?   190.517   21.407 0.000000 21.40693 
1 1 1   -9   11   27 o  187.282   21.308  452.521   97.878   0.0000   0.0000  452.521   97.878  ?   ?   187.282   21.308 0.000000 21.30786 
1 1 1   -9   11   28 o  350.858   14.780  1553.12  129.497  1595.62  229.416  1533.25  156.878  350.787   26.383  347.241   18.155 3.545135 32.02585 
1 1 1   -9   11   29 o  406.892   16.869  2096.14  171.406  1876.84  301.211  2201.17  208.448  376.974   32.309  415.767   20.077 -38.79349 38.03905 
1 1 1   -9   11   30 o  195.161   12.482  481.189   60.511  573.596  118.320  448.459   70.416  210.445   22.884  187.852   15.139 22.59274 27.43823 
1 1 1   -9   11   31 o  220.206   12.198  611.909   66.816  593.406  128.924  618.703   78.127  213.419   24.644  221.011   14.232 -7.592682 28.45796 
1 1 1   -9   11   32 o  147.960   12.271  277.372   44.930  321.504  100.933  266.466   50.175  155.506   26.969  144.667   14.067 10.83827 30.41755 
1 1 1   -9   11   33 o  314.888   14.407  1252.26  113.284  1242.58  207.157  1256.39  135.307  308.171   27.198  314.164   17.314 -5.993195 32.24129 
1 1 1   -9   11   34 o  209.324   15.622  557.810   81.072  581.576  139.142  545.595   99.755  209.833   27.194  205.864   19.643 3.969025 33.54619 
1 1 1   -9   11   35 o  127.457   14.142  207.815   44.253  162.209  117.701  215.324   47.757  110.607   36.605  129.568   15.040 -18.96101 39.57423 
1 1 1   -9   11   36 o  157.092   33.704  343.242  128.255  343.242  128.255   0.0000   0.0000  157.092   33.704  ?   ?  0.000000 33.70366 
1 1 1   -9   11   37 o  177.059   12.057  397.830   52.993  629.629  135.684  356.108   57.565  217.657   25.444  167.014   13.929 50.64337 29.00695 
1 1 1   -9   11   38 o  124.411   14.234  199.391   43.426  215.899  124.245  197.093   46.349  122.143   37.305  123.369   15.379 -1.226501 40.35060 
1 1 1   -9   11   39 o   94.988   15.202  118.212   34.844   57.303  123.379  123.492   36.323   85.691   35.425   97.042   15.511 -11.35113 38.67170 
1 1 1   -9   11   40 o  115.088   25.924  185.938   72.715   0.0000   0.0000  185.938   72.715  ?   ?   115.088   25.924 0.000000 25.92408 
1 1 1   -9   11   41 o  237.929   13.325  728.104   78.855  741.849  183.329  724.983   87.348  223.677   33.883  236.581   14.861 -12.90381 36.99820 
1 1 1   -9   11   42 o  103.931   14.940  142.558   37.660  254.337  148.804  134.908   38.928  123.160   41.174  100.657   16.024 22.50295 44.18177 
1 1 1   -9   11   43 o  111.727   14.153  164.045   38.602  112.492  157.581  167.336   39.815   95.009   39.717  112.728   14.478 -17.71870 42.27383 
1 1 1   -9   11   44 o   88.990   15.574  106.471   33.349  220.450  166.374  101.700   34.040  111.611   42.722   86.638   16.333 24.97330 45.73738 
1 1 1   -9   11   45 o   84.336   16.792   97.469   34.121   66.811  179.332   98.620   34.756   88.029   39.457   84.751   17.013 3.278328 42.96855 
1 1 1   -9   11   46 o   71.985   17.539   72.531   31.239  358.924  204.324   65.676   31.611  124.934   47.457   68.323   18.201 56.61081 50.82780 
1 1 1   -9   12    1 o  567.562   18.122  4047.54  256.848  4035.95  362.923  4059.16  363.554  564.947   25.725  566.578   25.696 -1.630493 36.35991 
1 1 1   -9   12    2 o  251.316   10.336  790.153   64.867  765.301   91.053  815.766   92.435  246.634   14.853  254.697   14.594 -8.062836 20.82318 
1 1 1   -9   12    3 o  432.256   14.332  2341.37  154.704  2276.15  218.245  2407.24  219.328  425.386   20.545  437.538   20.074 -12.15210 28.72386 
1 1 1   -9   12    4 o  648.441   20.139  5286.31  326.107  5070.15  460.676  5503.42  461.696  632.669   29.159  659.504   28.034 -26.83459 40.44934 
1 1 1   -9   12    5 o  487.022   15.799  2973.83  192.148  2934.23  271.436  3013.61  272.040  482.741   22.517  489.273   22.265 -6.532104 31.66618 
1 1 1   -9   12    6 o  355.482   12.513  1581.85  111.077  1541.03  156.767  1623.00  157.407  349.933   18.001  359.634   17.527 -9.701721 25.12439 
1 1 1   -9   12    7 o  471.289   15.305  2783.79  180.122  2708.04  254.357  2859.99  255.106  463.908   21.956  476.834   21.424 -12.92587 30.67698 
1 1 1   -9   12    8 o  282.828   10.950  1000.70   77.338  1030.90  108.854  969.915  109.897  286.401   15.275  277.697   15.914 8.703552 22.05877 
1 1 1   -9   12    9 o  212.991   9.7234  567.286   51.716  563.581   72.447  571.135   73.849  211.687   13.780  213.088   13.955 -1.400864 19.61224 
1 1 1   -9   12   10 o  369.326   12.804  1707.64  118.085  1677.96  166.596  1737.59  167.400  365.603   18.248  372.068   18.017 -6.464844 25.64344 
1 1 1   -9   12   11 o  447.256   15.029  2506.96  167.854  2480.26  237.383  2533.66  237.379  444.021   21.409  448.811   21.180 -4.790375 30.11541 
1 1 1   -9   12   12 f  276.343   10.822  955.386   74.681  916.148  104.841  995.803  106.405  269.874   15.624  281.452   15.196 -11.57846 21.79462 
1 1 1   -9   12   13 o  305.495   11.672  1168.06   89.046  1160.14  125.491  1176.09  126.372  303.641   16.613  305.725   16.615 -2.084076 23.49597 
1 1 1   -9   12   14 o  785.709   24.324  7791.93  477.259  8076.72  675.165  7507.51  674.726  795.876   33.971  766.713   35.241 29.16345 48.94857 
1 1 1   -9   12   15 o  284.497   11.275  1013.09   80.104  1004.69  112.936  1021.60  113.635  282.504   16.075  284.884   16.039 -2.380341 22.70782 
1 1 1   -9   12   16 o  118.038   9.8670  175.530   28.818  173.188   40.011  178.054   41.541  116.710   14.008  118.308   14.355 -1.597939 20.05724 
1 1 1   -9   12   17 o  276.825   11.261  959.520   77.847  996.315  109.823  922.362  110.364  281.278   15.698  270.495   16.416 10.78299 22.71383 
1 1 1   -9   12   18 o  291.957   11.517  1067.69   83.969  1059.83  118.492  1075.61  119.008  289.947   16.433  292.113   16.381 -2.165985 23.20262 
1 1 1   -9   12   19 o  250.342   10.797  784.901   67.496  803.884   95.189  765.705   95.722  252.531   15.165  246.364   15.640 6.167831 21.78498 
1 1 1   -9   12   20 o  483.818   16.123  2944.51  194.801  2993.82  275.335  2895.08  275.645  486.093   22.682  477.881   23.098 8.211609 32.37321 
1 1 1   -9   12   21 o  433.694   14.892  2364.94  161.280  2409.90  227.984  2319.91  228.185  436.321   20.924  427.977   21.351 8.343994 29.89456 
1 1 1   -9   12   22 o  283.391   11.383  1007.26   80.558  976.775  113.601  1038.10  114.255  277.922   16.442  286.631   16.027 -8.708923 22.96048 
1 1 1   -9   12   23 o  340.845   12.583  1459.26  107.097  1443.96  151.083  1474.70  151.835  337.545   17.989  341.158   17.885 -3.613342 25.36652 
1 1 1   -9   12   24 o  244.078   10.650  747.283   64.912  728.450   91.519  766.350   92.083  239.910   15.357  246.159   15.052 -6.248932 21.50353 
1 1 1   -9   12   25 o  409.042   14.398  2107.90  147.073  2113.95  207.805  2101.82  208.181  407.282   20.498  406.069   20.597 1.213348 29.05866 
1 1 1   -9   12   26 o  111.554   13.809  159.047   37.646  147.470   46.111  182.191   65.195  106.501   17.978  117.474   23.047 -10.97289 29.22996 
1 1 1   -9   12   27 o  312.604   24.986  1263.15  193.419   0.0000   0.0000  1263.15  193.419  ?   ?   312.604   24.986 0.000000 24.98611 
1 1 1   -9   12   28 o  182.697   12.050  421.469   54.665  348.489  103.781  449.492   64.310  162.444   26.497  188.386   13.766 -25.94164 29.85966 
1 1 1   -9   12   29 o  291.413   13.471  1069.84   98.027  1088.95  176.429  1061.31  117.900  290.067   24.588  289.185   16.394 0.8815613 29.55233 
1 1 1   -9   12   30 o  389.899   16.294  1923.54  158.649  1801.11  280.442  1981.16  192.395  370.070   30.622  394.561   19.527 -24.49185 36.31770 
1 1 1   -9   12   31 o  140.324   12.527  249.768   43.435  240.712   94.073  252.222   48.967  133.600   29.027  140.722   14.125 -7.122253 32.28154 
1 1 1   -9   12   32 o  201.457   12.517  512.886   62.658  472.276  124.504  526.661   72.510  189.123   27.140  203.778   14.341 -14.65506 30.69615 
1 1 1   -9   12   33 o  384.733   16.204  1875.06  155.679  1952.18  280.299  1840.66  187.208  385.360   29.348  379.353   19.831 6.006927 35.42005 
1 1 1   -9   12   34 o   80.407   18.321   85.481   35.966  165.052   98.897   73.353   38.610  110.497   33.180   74.527   20.228 35.96964 38.85958 
1 1 1   -9   12   35 o  226.497   13.715  650.427   77.207  536.492  155.925  687.435   88.866  198.673   32.557  232.422   15.398 -33.74905 36.01450 
1 1 1   -9   12   36 o  200.635   12.386  509.906   61.753  687.748  141.348  467.955   68.651  228.455   25.196  191.671   14.449 36.78348 29.04470 
1 1 1   -9   12   37 o  171.451   13.465  374.603   57.185  318.565  135.870  386.667   63.040  149.089   36.733  173.886   14.654 -24.79752 39.54847 
1 1 1   -9   12   38 o  342.195   14.701  1491.96  125.625  1722.13  244.220  1409.15  146.492  357.935   27.534  330.582   17.811 27.35236 32.79268 
1 1 1   -9   12   39 o   99.663   15.106  129.780   36.417  225.903  125.613  120.959   38.052  123.440   37.467   95.749   16.511 27.69138 40.94388 
1 1 1   -9   12   40 o  102.208   15.906  137.557   39.278   0.0000   0.0000  137.557   39.278  ?   ?   102.208   15.906 0.000000 15.90622 
1 1 1   -9   12   41 o   70.243   25.338   60.745   56.888   35.630  137.608   65.922   62.476   83.087   35.984   73.030   26.521 10.05697 44.70166 
1 1 1   -9   12   42 o  222.725   13.223  639.848   73.214  942.523  186.653  584.811   79.593  255.106   29.865  211.844   15.145 43.26254 33.48582 
1 1 1   -9   12   43 o  275.902   13.399  982.446   92.316  1142.87  223.096  949.303  101.405  274.707   33.195  269.646   15.121 5.061615 36.47634 
1 1 1   -9   12   44 o   94.191   15.517  118.832   35.226  384.367  173.574  107.426   35.975  144.267   44.098   88.956   16.810 55.31052 47.19397 
1 1 1   -9   12   45 o  108.030   18.368  160.340   47.778  165.562  184.815  159.966   49.459  101.099   42.680  107.509   19.123 -6.410378 46.76846 
1 1 1   -9   12   46 o  110.695   14.784  164.009   39.844  288.215  207.755  159.266   40.598  114.530   46.498  108.770   15.375 5.759544 48.97400 
1 1 1   -9   13    1 o  327.435   11.810  1342.97   96.569  1359.77  136.165  1325.97  136.977  328.542   16.651  324.367   16.970 4.174347 23.77454 
1 1 1   -9   13    2 o  289.590   15.981  1056.07  115.119  1067.80  161.494  1043.96  164.145  290.005   22.475  286.591   23.133 3.414063 32.25325 
1 1 1   -9   13    3 o  133.599   13.596  226.001   44.726  192.386   60.410  266.782   66.538  121.969   20.565  144.439   18.901 -22.47008 27.93158 
1 1 1   -9   13    4 o  289.231   10.914  1046.97   78.830  987.873  110.566  1108.07  112.422  280.140   15.870  296.837   15.217 -16.69760 21.98717 
1 1 1   -9   13    5 o  335.194   11.973  1406.70  100.222  1327.90  141.167  1486.79  142.312  324.706   17.474  344.173   16.558 -19.46716 24.07310 
1 1 1   -9   13    6 o  381.764   13.133  1825.61  125.198  1811.96  176.611  1839.40  177.505  379.717   18.625  382.588   18.579 -2.870483 26.30770 
1 1 1   -9   13    7 o  939.031   28.784 11177.59  674.964 11135.51  954.343 11219.71  954.745  930.045   41.091  933.651   40.950 -3.606201 58.01190 
1 1 1   -9   13    8 o  453.633   14.824  2579.68  167.930  2530.48  237.093  2629.22  237.886  448.355   21.176  457.078   20.841 -8.722137 29.71182 
1 1 1   -9   13    9 o   74.493   11.989   71.214   21.545   69.374   29.269   73.391   31.831   72.926   16.462   74.976   17.346 -2.049904 23.91413 
1 1 1   -9   13   10 o  231.446   14.016  673.683   80.626   0.0000   0.0000  673.683   80.626  ?   ?   231.446   14.016 0.000000 14.01603 
1 1 1   -9   13   11 o  270.809   15.143  922.447  101.996  922.447  101.996   0.0000   0.0000  270.809   15.143  ?   ?  0.000000 15.14305 
1 1 1   -9   13   12 o  566.645   17.943  4033.80  253.896  4036.93  358.848  4030.67  359.278  565.119   25.428  564.666   25.479 0.4525757 35.99724 
1 1 1   -9   13   13 o  130.464   9.6770  214.081   31.302  209.163   43.426  219.400   45.161  128.463   13.751  131.573   13.958 -3.110565 19.59359 
1 1 1   -9   13   14 o  444.441   14.963  2477.74  166.072  2584.26  234.684  2370.90  235.040  452.932   20.749  433.102   21.802 19.82938 30.09730 
1 1 1   -9   13   15 o  483.688   15.939  2937.28  192.525  3104.16  272.364  2770.62  272.180  496.009   21.989  468.311   23.274 27.69769 32.01878 
1 1 1   -9   13   16 o  485.926   15.937  2965.48  193.381  2953.14  273.119  2977.89  273.848  483.488   22.621  485.519   22.587 -2.031036 31.96676 
1 1 1   -9   13   17 o  243.521   10.457  742.437   63.590  729.953   89.534  755.145   90.330  240.668   14.972  244.820   14.845 -4.151535 21.08421 
1 1 1   -9   13   18 o  134.851   10.085  228.928   33.716  235.106   47.147  222.462   48.235  136.150   14.070  132.277   14.860 3.873215 20.46402 
1 1 1   -9   13   19 o  282.216   11.222  998.041   79.084  981.951  111.304  1014.45  112.388  278.958   16.046  283.571   15.936 -4.612732 22.61436 
1 1 1   -9   13   20 o  673.086   21.341  5737.03  358.703  5883.64  507.370  5590.52  507.194  677.015   30.011  659.455   30.799 17.55939 43.00263 
1 1 1   -9   13   21 o  570.900   18.107  4114.85  258.141  4211.33  364.979  4018.27  365.154  574.479   25.442  560.854   26.072 13.62494 36.42837 
1 1 1   -9   13   22 o  270.743   11.305  919.555   76.435  892.591  107.515  947.110  108.687  265.590   16.290  273.677   15.973 -8.087799 22.81395 
1 1 1   -9   13   23 o  438.153   15.071  2418.72  164.903  2443.42  233.045  2393.95  233.372  438.434   21.286  433.880   21.539 4.553558 30.28217 
1 1 1   -9   13   24 o  207.660   9.9324  540.680   51.506  547.911   72.359  533.254   73.330  208.158   14.002  205.268   14.397 2.889771 20.08288 
1 1 1   -9   13   25 o  337.612   12.807  1433.59  107.975  1441.27  152.450  1425.86  152.950  336.803   18.193  334.940   18.356 1.862610 25.84490 
1 1 1   -9   13   26 o  129.280   10.913  211.300   34.901  196.458   54.180  221.827   45.629  123.245   18.148  131.960   14.063 -8.715080 22.95904 
1 1 1   -9   13   27 o  277.912   16.824  980.800  116.211  1174.25  160.458  767.389  168.533  302.684   21.366  241.819   28.453 60.86517 35.58215 
1 1 1   -9   13   28 o  114.559   18.767  170.796   51.828  208.490   77.574  140.404   69.656  125.089   25.694  102.389   26.896 22.69996 37.19597 
1 1 1   -9   13   29 o  153.865   11.955  299.464   45.573  371.068   91.245  275.665   52.604  168.999   22.155  147.124   14.507 21.87468 26.48153 
1 1 1   -9   13   30 o  343.596   18.778  1504.68  160.508  1483.56  229.446  1524.92  224.617  337.302   27.479  342.517   26.466 -5.214905 38.15179 
1 1 1   -9   13   31 o  414.711   17.130  2180.16  177.396  2116.65  313.574  2210.05  215.132  400.402   31.619  416.106   20.704 -15.70401 37.79389 
1 1 1   -9   13   32 o  202.930   12.692  520.594   63.996  530.515  126.126  517.154   74.267  201.147   25.697  201.802   14.841 -0.6546173 29.67492 
1 1 1   -9   13   33 o  444.418   17.814  2509.73  197.693  2607.62  351.875  2464.59  238.976  443.554   31.983  438.496   21.824 5.058746 38.71927 
1 1 1   -9   13   34 o  154.725   14.896  305.483   56.842   0.0000   0.0000  305.483   56.842  ?   ?   154.725   14.896 0.000000 14.89553 
1 1 1   -9   13   35 o  250.695   27.627  831.061  170.080  831.061  170.080   0.0000   0.0000  250.695   27.627  ?   ?  0.000000 27.62662 
1 1 1   -9   13   36 o  166.891   13.255  354.213   54.785  359.543  129.617  353.053   60.450  161.007   33.336  166.266   14.711 -5.259888 36.43744 
1 1 1   -9   13   37 o  438.815   17.651  2465.20  193.422  2453.00  350.624  2470.54  231.900  423.444   33.430  436.865   21.257 -13.42099 39.61633 
1 1 1   -9   13   38 o  145.106   13.624  269.734   48.790  373.540  131.982  253.303   52.510  162.136   33.697  140.126   15.252 22.00928 36.98857 
1 1 1   -9   13   39 o   70.865   17.598   67.316   30.999  109.272  124.464   64.542   32.008   95.968   36.900   69.377   18.236 26.59070 41.15962 
1 1 1   -9   13   40 o  153.448   13.510  303.067   51.240  358.867  146.641  295.306   54.688  152.883   38.448  151.049   14.684 1.834427 41.15646 
1 1 1   -9   13   41 f   85.369   27.956  101.176   68.718   0.0000   0.0000  101.176   68.718  ?   ?    85.369   27.956 0.000000 27.95590 
1 1 1   -9   13   42 o  163.253   20.935  361.711   83.378  406.373  168.662  347.266   95.919  155.203   42.342  157.157   25.300 -1.954376 49.32467 
1 1 1   -9   13   43 o  198.547   13.527  510.994   66.667  539.398  186.066  506.810   71.408  177.842   42.480  197.130   14.610 -19.28830 44.92212 
1 1 1   -9   13   44 o   95.644   16.192  123.058   37.294  272.377  174.321  115.896   38.178  121.528   44.275   92.360   17.185 29.16811 47.49312 
1 1 1   -9   13   45 o  201.908   13.723  532.849   68.780  665.745  215.921  517.841   72.560  187.021   46.445  198.346   14.755 -11.32573 48.73206 
1 1 1   -9   13   46 o   72.797   19.583   75.178   36.378  291.053  205.830   68.217   36.960  115.742   46.529   69.373   20.144 46.36983 50.70258 
1 1 1   -9   14    1 o  261.512   10.624  856.584   69.378  899.144   97.645  813.193   98.592  267.151   14.693  253.868   15.628 13.28204 21.45028 
1 1 1   -9   14    2 o  414.465   14.127  2156.07  146.211  2167.29  206.318  2144.75  207.231  414.475   19.934  412.271   20.129 2.203674 28.32893 
1 1 1   -9   14    3 o   72.463   11.813   67.480   20.639   62.128   27.376   74.528   31.415   68.946   16.179   75.507   17.063 -6.560944 23.51359 
1 1 1   -9   14    4 o  101.387   15.508  132.005   38.016  137.736   50.555  124.546   57.671  102.759   20.421   97.312   23.905 5.447205 31.43966 
1 1 1   -9   14    5 o  499.359   22.906  3150.72  285.634  2916.78  402.291  3388.56  405.624  475.949   34.073  514.165   31.747 -38.21637 46.57079 
1 1 1   -9   14    6 o  537.760   17.325  3634.74  232.656  3721.14  328.931  3548.24  329.121  542.389   24.285  529.465   24.892 12.92328 34.77656 
1 1 1   -9   14    7 o  562.181   17.818  3973.30  250.148  3805.78  353.241  4141.83  354.286  548.150   25.806  572.151   24.797 -24.00140 35.78862 
1 1 1   -9   14    8 o  666.933   20.807  5605.17  346.533  5552.15  489.793  5658.31  490.353  660.639   29.689  667.029   29.438 -6.389709 41.80981 
1 1 1   -9   14    9 o  308.353   13.470  1191.76  103.722  1139.79  178.570  1218.23  127.420  299.360   24.091  311.034   16.464 -11.67484 29.17944 
1 1 1   -9   14   10 o   89.265   13.609  102.149   29.376  101.740   33.780  103.417   59.507   88.718   15.828   89.289   25.450 -0.5711594 29.97054 
1 1 1   -9   14   11 o  597.342   18.835  4489.32  280.956  4343.95  396.793  4635.49  397.871  585.197   27.153  604.794   26.344 -19.59686 37.83224 
1 1 1   -9   14   12 o  316.124   11.656  1251.52   92.019  1215.63  129.473  1288.14  130.805  310.621   16.754  319.831   16.433 -9.209747 23.46769 
1 1 1   -9   14   13 o  306.345   11.521  1175.30   88.138  1186.46  124.105  1163.94  125.193  306.919   16.250  303.933   16.557 2.985809 23.19967 
1 1 1   -9   14   14 o  628.273   19.852  4974.23  311.464  5145.76  440.480  4802.71  440.475  636.242   27.724  614.271   28.715 21.97058 39.91451 
1 1 1   -9   14   15 o  130.190   9.7735  213.316   31.543  205.351   43.573  222.085   45.721  127.188   13.948  132.311   14.053 -5.123077 19.79956 
1 1 1   -9   14   16 o  628.484   19.975  4982.86  313.502  5192.74  443.390  4773.04  443.327  638.524   27.807  611.638   29.025 26.88562 40.19598 
1 1 1   -9   14   17 o  430.119   14.444  2323.19  155.142  2278.05  218.928  2368.71  219.884  424.659   20.645  433.102   20.331 -8.443115 28.97489 
1 1 1   -9   14   18 o  159.819   9.8046  321.010   38.941  341.129   54.435  299.924   55.729  164.323   13.382  153.813   14.687 10.51001 19.86957 
1 1 1   -9   14   19 o  272.939   11.075  933.755   75.487  938.530  106.570  928.946  106.940  272.660   15.718  271.233   15.858 1.426605 22.32786 
1 1 1   -9   14   20 o  598.419   19.148  4527.19  286.134  4666.85  404.585  4387.43  404.724  604.000   26.824  585.175   27.696 18.82434 38.55661 
1 1 1   -9   14   21 o  140.303   9.6624  247.786   33.647  256.579   46.893  238.455   48.306  142.271   13.355  136.948   14.338 5.322708 19.59427 
1 1 1   -9   14   22 o  274.795   11.048  947.381   75.810  935.216  106.935  959.674  107.491  271.896   15.818  275.468   15.691 -3.572266 22.28030 
1 1 1   -9   14   23 o  349.349   12.974  1534.61  113.183  1448.56  159.385  1622.15  160.753  337.554   18.985  357.562   18.062 -20.00851 26.20464 
1 1 1   -9   14   24 o  283.859   11.759  1012.22   83.356  1057.00  117.689  967.148  118.079  288.797   16.386  275.995   17.218 12.80188 23.76953 
1 1 1   -9   14   25 o  387.044   14.060  1887.44  135.891  1852.92  191.888  1922.16  192.472  381.151   20.233  388.352   19.914 -7.201752 28.38894 
1 1 1   -9   14   26 o  195.707   11.474  482.833   55.832  501.031   91.792  472.146   70.340  197.819   18.808  192.928   14.711 4.891602 23.87795 
1 1 1   -9   14   27 o  355.859   19.699  1615.63  174.369  2150.98  244.261  1059.32  248.998  408.702   24.039  280.498   36.407 128.2037 43.62684 
1 1 1   -9   14   28 o  339.138   14.490  1451.06  122.712  1444.83  149.210  1464.09  215.704  337.080   17.789  335.967   25.911 1.112946 31.42949 
1 1 1   -9   14   29 o  242.163   13.394  741.052   80.684  591.821  145.197  807.719   97.047  211.888   28.137  252.361   15.474 -40.47269 32.11123 
1 1 1   -9   14   30 o  201.143   13.086  511.702   65.374  455.325  122.368  534.219   77.336  185.740   27.187  205.088   15.209 -19.34775 31.15211 
1 1 1   -9   14   31 o  326.557   15.557  1348.45  126.866  1065.85  225.055  1480.08  153.596  282.909   32.442  340.911   18.107 -58.00244 37.15336 
1 1 1   -9   14   32 o  111.319   15.347  159.526   41.528   68.902   91.791  182.849   46.566   83.500   31.787  119.156   16.058 -35.65578 35.61301 
1 1 1   -9   14   33 o  246.620   13.762  769.828   84.418  778.141  160.698  766.660   99.210  243.438   26.883  245.452   16.278 -2.013916 31.42741 
1 1 1   -9   14   34 o  250.457   12.859  792.944   80.156  896.985  159.315  757.680   92.751  262.321   24.608  244.189   15.288 18.13184 28.97011 
1 1 1   -9   14   35 o  244.481   16.174  762.002   98.189  826.754  162.371  724.673  123.285  250.595   26.341  236.695   21.078 13.89940 33.73669 
1 1 1   -9   14   36 o   87.133   18.892  100.781   39.921  134.746  105.891   95.154   43.101  101.861   34.730   84.389   20.627 17.47265 40.39315 
1 1 1   -9   14   37 o  182.416   13.625  424.061   61.618  418.029  142.042  425.459   68.388  172.516   34.180  182.283   15.161 -9.766937 37.39161 
1 1 1   -9   14   38 o  158.503   13.738  321.592   53.838  322.228  137.502  321.477   58.509  148.468   37.171  158.105   14.999 -9.637146 40.08340 
1 1 1   -9   14   39 o  223.671   13.293  639.024   73.915  652.681  168.117  635.752   82.296  214.949   32.321  222.459   14.900 -7.509750 35.58995 
1 1 1   -9   14   40 o   63.521   18.030   53.941   29.930   30.390  133.080   55.196   30.717   82.493   35.557   64.230   18.277 18.26268 39.97985 
1 1 1   -9   14   41 o  112.851   15.032  166.929   41.307  164.912  144.828  167.107   43.097  106.446   40.067  112.658   15.750 -6.212517 43.05098 
1 1 1   -9   14   42 o  124.166   27.479  223.246   82.949   0.0000   0.0000  223.246   82.949  ?   ?   124.166   27.479 0.000000 27.47909 
1 1 1   -9   14   43 o  125.417   14.428  206.260   44.365  379.278  168.818  193.424   45.981  147.020   43.156  120.927   15.590 26.09231 45.88528 
1 1 1   -9   14   44 o   96.019   16.465  124.232   38.059   74.657  174.434  126.710   38.998   90.900   39.919   96.887   16.723 -5.987122 43.27990 
1 1 1   -9   14   45 o  270.988   14.016  959.489   94.523  1471.10  250.902  874.867  102.042  306.697   33.295  257.035   15.977 49.66177 36.92972 
1 1 1   -9   14   46 o  116.860   15.247  182.941   43.434  335.671  210.751  176.166   44.387  122.427   47.752  114.267   15.994 8.159935 50.35912 
1 1 1   -9   15    1 o  149.765   9.1005  281.868   33.874  272.843   46.737  291.856   49.165  146.857   12.874  151.893   13.090 -5.035675 18.35986 
1 1 1   -9   15    2 o  411.254   13.918  2124.78  142.936  2059.94  201.597  2190.32  202.693  403.613   20.002  416.321   19.497 -12.70770 27.93185 
1 1 1   -9   15    3 o  134.000   9.3437  225.870   31.070  179.631   42.347  279.784   45.727  118.689   14.595  148.838   12.416 -30.14902 19.16215 
1 1 1   -9   15    4 o  397.136   13.731  1979.85  136.176  1981.58  192.110  1978.11  193.057  396.250   19.415  395.877   19.529 0.3727112 27.53726 
1 1 1   -9   15    5 o  273.156   10.878  934.646   74.202  911.346  104.186  958.632  105.706  268.831   15.586  275.769   15.412 -6.937958 21.91926 
1 1 1   -9   15    6 o  470.017   15.510  2775.90  182.049  2773.51  256.870  2778.31  258.045  468.329   21.964  468.712   22.046 -0.3830872 31.12019 
1 1 1   -9   15    7 o  405.146   19.498  2069.57  197.268  1912.59  277.498  2229.94  280.484  386.205   28.985  417.867   27.024 -31.66229 39.62859 
1 1 1   -9   15    8 o  479.141   21.996  2901.59  263.184  2595.31  370.158  3214.72  374.272  448.536   33.285  500.874   30.062 -52.33844 44.85115 
1 1 1   -9   15    9 o  398.553   15.613  1995.45  155.395  1998.94  268.245  1993.69  190.642  395.543   27.325  397.759   19.193 -2.216827 33.39206 
1 1 1   -9   15   10 o  388.961   15.507  1900.39  150.623  1940.71  184.719  1820.38  260.200  392.506   18.846  377.225   27.818 15.28165 33.60100 
1 1 1   -9   15   11 o  232.683   10.069  677.733   58.504  612.239   81.663  746.789   83.854  220.321   14.931  243.586   13.843 -23.26537 20.36062 
1 1 1   -9   15   12 o  508.711   16.472  3253.68  209.256  3184.26  295.413  3323.59  296.455  501.438   23.592  512.419   23.168 -10.98132 33.06528 
1 1 1   -9   15   13 o  274.702   11.100  945.246   76.147  966.439  107.304  923.747  108.077  276.902   15.581  270.617   16.065 6.285095 22.37999 
1 1 1   -9   15   14 o  316.809   11.745  1257.86   92.922  1203.48  130.582  1313.65  132.256  308.800   16.999  322.768   16.463 -13.96817 23.66475 
1 1 1   -9   15   15 o  288.573   11.333  1043.51   81.667  1076.08  114.898  1010.26  116.101  292.126   15.809  282.896   16.506 9.230194 22.85580 
1 1 1   -9   15   16 o  489.018   16.196  3008.92  197.777  3246.83  279.700  2771.01  279.696  506.309   22.122  466.538   24.090 39.77081 32.70642 
1 1 1   -9   15   17 o  297.690   10.952  1110.61   81.416  1225.57  114.961  994.944  115.317  312.247   14.744  280.624   16.529 31.62363 22.14893 
1 1 1   -9   15   18 o  165.448   9.8500  344.078   40.512  382.244   56.826  304.632   57.770  173.981   13.177  154.894   15.129 19.08720 20.06284 
1 1 1   -9   15   19 o  311.489   12.010  1217.59   93.419  1302.45  131.859  1132.07  132.372  321.032   16.504  298.935   17.813 22.09738 24.28340 
1 1 1   -9   15   20 o  136.446   9.9687  234.554   33.731  255.957   47.138  212.093   48.289  142.075   13.446  128.887   15.302 13.18738 20.37062 
1 1 1   -9   15   21 f  296.365   11.731  1102.68   86.818  1176.60  122.620  1028.38  122.938  304.979   16.158  284.772   17.371 20.20724 23.72405 
1 1 1   -9   15   22 o  199.772   10.135  501.729   50.396  489.955   70.530  514.011   72.034  196.709   14.460  201.515   14.410 -4.805603 20.41362 
1 1 1   -9   15   23 o  442.371   15.187  2468.39  167.772  2479.36  236.966  2457.37  237.566  441.112   21.512  439.088   21.666 2.023621 30.53199 
1 1 1   -9   15   24 o  314.993   12.049  1247.15   94.778  1306.38  133.942  1187.76  134.132  320.967   16.769  305.754   17.642 15.21274 24.34052 
1 1 1   -9   15   25 o  156.511   9.9774  308.524   38.792  308.439   54.137  308.614   55.613  155.825   14.064  155.796   14.459 0.2917480E-01 20.17115 
1 1 1   -9   15   26 o  197.283   14.653  493.656   71.671  548.865   95.042  420.869  109.128  207.141   18.571  179.306   25.057 27.83499 31.18832 
1 1 1   -9   15   27 o  296.101   16.960  1113.84  124.881  1190.04  171.149  1027.08  182.625  304.068   22.704  280.897   26.343 23.17114 34.77670 
1 1 1   -9   15   28 o  366.295   16.591  1698.62  151.757  1922.05  185.303  1243.54  264.461  388.777   19.087  304.392   35.456 84.38580 40.26725 
1 1 1   -9   15   29 o  173.200   10.961  378.345   47.164  369.587   66.357  387.286   67.048  170.260   15.787  174.371   15.561 -4.110977 22.16709 
1 1 1   -9   15   30 o  106.070   11.159  142.920   29.114  155.410   40.574  129.665   41.799  109.905   15.190   99.735   17.417 10.16954 23.10994 
1 1 1   -9   15   31 o  122.399   13.850  191.309   41.588  199.112   92.810  189.349   46.519  120.998   30.674  121.378   15.717 -0.3798065 34.46634 
1 1 1   -9   15   32 o  239.968   14.072  729.258   83.958  547.578  155.090  804.574   99.855  201.818   31.828  251.596   15.976 -49.77820 35.61251 
1 1 1   -9   15   33 o  194.038   16.146  480.259   77.524   0.0000   0.0000  480.259   77.524  ?   ?   194.038   16.146 0.000000 16.14584 
1 1 1   -9   15   34 o  110.154   34.110  163.573  103.466  163.573  103.466   0.0000   0.0000  110.154   34.110  ?   ?  0.000000 34.10979 
1 1 1   -9   15   35 o  111.132   15.824  159.715   42.673  206.518  106.123  150.687   46.608  122.085   33.703  107.349   18.025 14.73534 38.22040 
1 1 1   -9   15   36 o  130.695   16.918  221.113   53.920  320.611  118.203  194.969   60.592  152.164   32.116  121.526   20.709 30.63854 38.21391 
1 1 1   -9   15   37 o  104.049   15.996  141.060   40.233  226.706  119.775  130.167   42.714  125.988   36.171   99.376   17.869 26.61240 40.34404 
1 1 1   -9   15   38 o  255.123   14.154  830.895   89.821  856.814  183.855  822.769  102.942  249.898   30.065  252.933   16.386 -3.034576 34.24076 
1 1 1   -9   15   39 o  151.948   14.137  297.121   53.025  391.037  141.993  281.901   57.161  163.172   35.828  147.439   15.770 15.73384 39.14540 
1 1 1   -9   15   40 o  158.709   14.136  325.051   55.440  356.909  148.068  319.856   59.789  151.990   38.861  156.935   15.457 -4.944809 41.82197 
1 1 1   -9   15   41 o  108.170   15.911  154.458   41.695  143.811  144.224  155.429   43.554  102.245   39.607  108.249   16.645 -6.004089 42.96291 
1 1 1   -9   15   42 o  145.761   14.416  276.915   51.785  328.283  167.000  271.450   54.470  138.016   43.434  143.885   15.399 -5.868469 46.08254 
1 1 1   -9   15   43 o   75.790   28.443   72.023   72.881   0.0000   0.0000   72.023   72.881  ?   ?    75.790   28.443 0.000000 28.44300 
1 1 1   -9   15   44 o   98.009   15.998  128.818   37.803  284.505  178.613  121.517   38.679  123.712   44.855   94.741   16.972 28.97087 47.95884 
1 1 1   -9   15   45 o  171.434   13.836  384.768   58.726  549.058  207.163  370.412   61.238  167.101   47.436  167.645   14.779 -0.5444489 49.68529 
1 1 1   -9   15   46 o  165.888   14.443  363.807   59.235  251.107  217.338  372.850   61.566  110.270   46.403  167.684   14.857 -57.41426 48.72309 
1 1 1   -9   16    1 o  155.226   12.247  304.575   47.087  248.072   65.345  365.603   67.911  138.590   19.414  169.436   16.250 -30.84668 25.31704 
1 1 1   -9   16    2 o  114.371   9.3846  164.977   26.567  161.676   36.324  168.773   38.956  112.663   13.159  115.025   13.840 -2.362457 19.09735 
1 1 1   -9   16    3 o  352.520   12.549  1560.58  110.472  1559.29  155.681  1561.89  156.786  350.916   17.824  351.177   17.938 -0.2611389 25.28806 
1 1 1   -9   16    4 o  421.872   14.421  2238.23  151.927  2240.59  214.336  2235.85  215.382  420.585   20.408  420.104   20.531 0.4809875 28.94776 
1 1 1   -9   16    5 f  141.714   9.1828  252.499   32.322  176.257   43.976  342.081   47.667  117.377   15.372  164.743   11.662 -47.36574 19.29558 
1 1 1   -9   16    6 o  174.477   9.4243  382.282   40.909  351.562   56.465  416.225   59.353  166.751   13.680  181.607   13.177 -14.85587 18.99456 
1 1 1   -9   16    7 f  466.086   15.337  2732.19  178.504  2618.05  251.816  2847.46  253.075  454.452   22.189  474.203   21.371 -19.75070 30.80759 
1 1 1   -9   16    8 o  237.118   15.026  709.600   88.515   0.0000   0.0000  709.600   88.515  ?   ?   237.118   15.026 0.000000 15.02627 
1 1 1   -9   16    9 f  429.028   29.747  2369.32  316.732  2369.32  316.732   0.0000   0.0000  429.028   29.747  ?   ?  0.000000 29.74721 
1 1 1   -9   16   10 o  275.552   15.505  957.770  106.258  873.227  146.894  1050.56  153.892  261.518   22.719  287.304   21.608 -25.78622 31.35382 
1 1 1   -9   16   11 f  392.539   19.326  1945.32  189.446  1914.31  265.585  1977.44  270.311  386.237   27.720  392.571   27.752 -6.334442 39.22514 
1 1 1   -9   16   12 o  193.925   11.222  472.893   54.111  484.635   91.167  466.506   67.235  195.074   18.954  192.213   14.106 2.861877 23.62723 
1 1 1   -9   16   13 o  550.147   17.728  3815.33  243.550  3747.72  343.970  3883.31  344.896  542.544   25.388  552.433   25.001 -9.889221 35.63169 
1 1 1   -9   16   14 o  554.636   17.927  3879.64  248.287  3925.87  350.773  3833.22  351.491  555.190   25.301  548.443   25.664 6.746704 36.03876 
1 1 1   -9   16   15 o  433.692   14.477  2364.41  156.792  2277.61  220.972  2452.41  222.512  424.121   20.864  440.276   20.238 -16.15448 29.06713 
1 1 1   -9   16   16 o  116.936   10.169  172.610   29.398  171.510   40.440  173.844   42.813  115.949   14.268  116.607   15.054 -0.6582870 20.74123 
1 1 1   -9   16   17 o  295.466   11.794  1095.38   87.023  1177.33  122.695  1012.42  123.448  305.251   16.153  282.688   17.574 22.56354 23.87042 
1 1 1   -9   16   18 o  168.880   9.7999  358.565   41.151  376.600   57.347  339.421   59.084  172.586   13.412  163.593   14.617 8.992966 19.83729 
1 1 1   -9   16   19 o  221.019   10.422  612.521   57.520  676.910   80.784  546.307   81.920  231.533   14.038  207.556   15.927 23.97742 21.23068 
1 1 1   -9   16   20 o  285.140   11.553  1020.74   82.266  1063.67  115.952  977.234  116.737  289.902   16.080  277.635   16.918 12.26703 23.34080 
1 1 1   -9   16   21 o  101.147   10.620  129.754   26.424  120.927   36.214  139.805   38.641   96.738   15.516  104.216   15.303 -7.478615 21.79287 
1 1 1   -9   16   22 o  458.656   15.588  2655.38  178.537  2853.08  252.498  2457.70  252.482  473.174   21.369  437.825   23.175 35.34918 31.52363 
1 1 1   -9   16   23 o  356.472   13.327  1599.79  118.631  1659.98  167.727  1539.53  167.811  361.236   18.657  347.581   19.411 13.65439 26.92367 
1 1 1   -9   16   24 o  280.187   11.435  986.357   80.009  1024.99  112.793  947.226  113.510  284.355   15.949  273.114   16.724 11.24069 23.10960 
1 1 1   -9   16   25 o  317.917   14.349  1274.74  113.917  1396.22  194.122  1210.94  140.689  329.071   23.783  308.360   18.354 20.71097 30.04145 
1 1 1   -9   16   26 o  187.579   14.107  446.138   65.596  437.665   84.929  458.666  103.272  184.725   18.667  188.077   22.431 -3.351807 29.18257 
1 1 1   -9   16   27 o  220.972   14.568  618.857   79.934  595.970  105.235  650.071  122.896  215.482   19.778  224.349   22.229 -8.867004 29.75346 
1 1 1   -9   16   28 o  134.069   13.354  228.677   44.115  251.215   51.470  166.292   85.632  140.275   14.923  110.949   30.130 29.32590 33.62268 
1 1 1   -9   16   29 o  205.262   10.839  530.743   55.361  540.682   77.791  520.544   78.804  206.310   15.207  202.291   15.723 4.018723 21.87393 
1 1 1   -9   16   30 o  148.469   10.177  278.026   37.506  265.472   52.116  291.512   54.017  144.271   14.670  151.288   14.475 -7.017426 20.60880 
1 1 1   -9   16   31 o  194.991   10.891  479.267   52.820  467.013   74.512  491.644   74.886  191.494   15.721  196.592   15.377 -5.098267 21.99029 
1 1 1   -9   16   32 o  196.963   13.479  491.555   65.900  371.774  126.446  536.222   77.216  165.542   31.743  205.370   15.164 -39.82797 35.17859 
1 1 1   -9   16   33 o  200.326   13.452  508.577   66.904  494.695  131.802  513.395   77.653  192.873   28.198  200.768   15.611 -7.894409 32.23133 
1 1 1   -9   16   34 o  172.780   13.631  379.302   58.333  346.981  123.710  388.543   66.149  159.193   32.225  174.490   15.337 -15.29767 35.68844 
1 1 1   -9   16   35 o  108.380   16.351  152.454   42.877   37.580  102.931  176.572   47.164   79.039   32.481  116.723   16.653 -37.68439 36.50143 
1 1 1   -9   16   36 o  159.718   17.582  329.585   68.962   78.228  124.151  441.750   82.934   91.846   36.397  184.972   18.190 -93.12534 40.68920 
1 1 1   -9   16   37 f  211.497   16.041  574.001   84.087  658.397  150.522  535.715  101.381  220.913   27.908  202.642   20.308 18.27036 34.51450 
1 1 1   -9   16   38 f  144.673   14.679  269.496   52.297  232.095  126.317  277.233   57.453  125.906   37.429  146.355   15.980 -20.44862 40.69694 
1 1 1   -9   16   39 o  230.945   19.227  698.436  109.879  718.228  174.696  685.481  141.337  225.537   31.909  224.830   25.632 0.7066803 40.92882 
1 1 1   -9   16   40 o  140.139   14.907  255.030   51.365  152.780  143.059  270.163   55.035  105.230   39.773  144.041   15.547 -38.81014 42.70357 
1 1 1   -9   16   41 o  119.771   15.732  188.621   45.915  197.776  149.218  187.664   48.256  112.998   40.994  119.099   16.683 -6.101242 44.25894 
1 1 1   -9   16   42 o  140.618   14.854  258.613   51.370  250.020  160.627  259.592   54.217  121.778   42.714  140.513   15.721 -18.73509 45.51530 
1 1 1   -9   16   43 o   58.048   18.861   44.156   31.301   0.0000   0.0000   44.156   31.301  ?   ?    58.048   18.861 0.000000 18.86085 
1 1 1   -9   16   44 o  109.834   30.897  186.110   88.300   0.0000   0.0000  186.110   88.300  ?   ?   109.834   30.897 0.000000 30.89653 
1 1 1   -9   16   45 o   54.871   18.897   38.356   31.368 -53.0378  183.275   41.114   31.838   77.824   36.631   56.288   19.044 21.53611 41.28580 
1 1 1   -9   16   46 o   69.076   19.071   67.151   33.978 -27.2398  210.467   69.677   34.429   82.201   38.863   70.317   19.109 11.88474 43.30647 
1 1 1   -9   17    1 o  388.286   13.471  1899.66  130.618  1925.12  184.108  1873.85  185.343  389.160   18.945  383.308   19.427 5.852753 27.13499 
1 1 1   -9   17    2 o  306.386   16.127  1189.68  122.956  1096.39  173.212  1284.43  174.567  291.467   24.012  316.323   22.241 -24.85654 32.72940 
1 1 1   -9   17    3 o  251.344   14.390  798.614   89.945  722.234  126.203  877.462  128.225  237.144   21.546  262.121   19.734 -24.97639 29.21775 
1 1 1   -9   17    4 f  408.740   14.046  2103.45  143.372  2108.10  202.281  2098.76  203.239  407.500   19.878  406.549   20.019 0.9508362 28.21177 
1 1 1   -9   17    5 o  457.701   15.379  2640.67  175.775  2646.72  248.097  2634.57  249.074  456.057   21.785  454.954   21.924 1.103027 30.90655 
1 1 1   -9   17    6 o  311.243   11.681  1215.94   90.789  1160.79  127.503  1272.67  129.307  302.770   16.932  317.206   16.380 -14.43533 23.55817 
1 1 1   -9   17    7 o  286.081   12.986  1028.34   92.774  988.537  158.450  1049.10  114.441  277.723   23.055  288.062   15.972 -10.33838 28.04726 
1 1 1   -9   17    8 o  252.707   12.091  801.617   76.303  777.302   91.693  856.375  137.600  248.074   14.870  258.876   21.479 -10.80174 26.12408 
1 1 1   -9   17    9 o  393.747   13.794  1948.96  135.630  2030.83  191.346  1866.30  192.276  400.683   19.124  383.330   20.157 17.35330 27.78523 
1 1 1   -9   17   10 o  223.651   9.8700  626.697   55.124  584.205   76.555  672.449   79.437  215.059   14.337  230.882   13.842 -15.82314 19.92866 
1 1 1   -9   17   11 o  165.982   9.5695  346.237   39.496  338.967   54.578  354.230   57.229  163.699   13.471  167.312   13.821 -3.613022 19.29982 
1 1 1   -9   17   12 o  403.887   15.811  2054.85  159.464  1922.25  193.967  2331.34  280.096  389.112   20.030  426.084   26.455 -36.97159 33.18256 
1 1 1   -9   17   13 f  316.366   16.763  1265.73  131.963  1186.98  183.372  1350.32  190.053  304.192   24.344  324.819   23.592 -20.62634 33.89969 
1 1 1   -9   17   14 o  784.951   35.341  8045.12  692.738  7764.16  977.612  8328.48  981.760  750.290   52.509  779.640   50.702 -29.35016 72.99253 
1 1 1   -9   17   15 o  469.266   21.409  2796.93  250.881  2442.14  351.373  3165.89  358.327  432.517   32.776  494.937   29.120 -62.42062 43.84348 
1 1 1   -9   17   16 o  117.865   15.515  178.005   44.556  234.149   56.932   89.263   71.576  135.104   17.270   85.372   28.556 49.73181 33.37179 
1 1 1   -9   17   17 o  453.474   17.769  2600.14  201.217  2807.74  347.277  2495.23  246.881  464.977   30.069  442.057   22.438 22.91959 37.51857 
1 1 1   -9   17   18 o   53.324   15.019   36.799   20.852   38.293   28.292   35.023   30.852   55.711   17.915   54.817   18.746 0.8935890 25.92974 
1 1 1   -9   17   19 o  311.511   12.105  1219.32   94.165  1314.70  132.911  1123.18  133.430  322.167   16.577  297.309   18.057 24.85895 24.51260 
1 1 1   -9   17   20 o  410.531   14.432  2124.05  147.954  2366.10  209.265  1882.12  209.212  431.673   19.413  383.535   21.935 48.13779 29.29173 
1 1 1   -9   17   21 o  111.994   10.391  158.723   28.728  166.072   39.387  150.369   41.993  113.951   14.146  107.959   16.066 5.991226 21.40619 
1 1 1   -9   17   22 o  201.615   10.163  511.326   51.002  547.214   71.836  474.851   72.421  207.931   13.915  193.388   15.117 14.54356 20.54613 
1 1 1   -9   17   23 o  116.690   11.729  172.850   33.715  213.665   52.669  144.514   43.885  128.894   16.760  105.506   17.253 23.38888 24.05338 
1 1 1   -9   17   24 o  132.023   15.506  223.151   50.148  308.846   63.424   80.213   81.912  155.360   16.605   84.309   30.405 71.05047 34.64420 
1 1 1   -9   17   25 o   97.042   16.427  122.355   38.388  150.324   45.505   53.332   71.486  107.559   17.547   74.128   28.092 33.43112 33.12169 
1 1 1   -9   17   26 o  189.760   14.957  457.526   70.304  520.750   91.763  367.674  109.393  201.663   18.425  166.516   27.251 35.14743 32.89502 
1 1 1   -9   17   27 o  148.035   15.107  279.655   55.064  339.494   68.978  174.531   91.427  162.766   17.233  113.506   31.261 49.25922 35.69620 
1 1 1   -9   17   28 o  170.832   10.154  367.646   43.121  405.668   60.345  327.974   61.640  178.872   13.612  160.316   15.594 18.55609 20.69945 
1 1 1   -9   17   29 o  230.648   11.085  668.607   63.847  675.938   89.547  661.025   91.058  230.654   15.639  227.967   16.099 2.686951 22.44456 
1 1 1   -9   17   30 o  206.124   10.908  535.396   55.947  484.908   78.189  588.365   80.088  195.035   16.201  215.257   14.993 -20.22289 22.07360 
1 1 1   -9   17   31 o  145.083   10.907  266.027   39.225  272.159   54.508  259.442   56.490  145.945   15.178  142.231   16.193 3.713364 22.19483 
1 1 1   -9   17   32 o  291.766   13.193  1073.58   96.122  911.897  158.723  1167.22  120.791  264.783   24.275  303.108   16.015 -38.32455 29.08207 
1 1 1   -9   17   33 o   81.048   26.711   82.747   62.698   84.759   91.015   80.929   86.495   87.067   31.950   85.106   31.160 1.960739 44.62907 
1 1 1   -9   17   34 o  268.432   14.803  914.999   98.847  806.179  182.323  960.300  117.636  245.390   30.404  274.200   17.268 -28.81042 34.96584 
1 1 1   -9   17   35 o  257.743   14.691  844.632   94.164  686.463  175.980  908.087  111.464  224.615   32.304  266.545   16.833 -41.93010 36.42622 
1 1 1   -9   17   36 o  140.036   14.531  251.449   50.073  296.182  117.240  241.468   55.378  145.380   33.043  136.663   16.565 8.716217 36.96310 
1 1 1   -9   17   37 o  114.956   19.280  174.653   53.387 -53.7786  119.370  231.769   59.689   68.844   31.389  133.071   18.459 -64.22634 36.41467 
1 1 1   -9   17   38 o   82.041   18.370   90.176   36.699  189.271  116.354   79.229   38.673  114.677   36.274   76.683   19.991 37.99411 41.41758 
1 1 1   -9   17   39 o  151.443   15.094  296.769   56.321  119.969  135.749  333.530   61.899   99.111   38.417  160.425   15.651 -61.31393 41.48252 
1 1 1   -9   17   40 o  119.094   15.910  186.080   46.133  162.147  135.088  189.240   49.084  106.324   38.939  119.765   16.880 -13.44067 42.44021 
1 1 1   -9   17   41 o  125.548   15.748  207.145   48.285  181.976  144.712  210.298   51.221  109.387   40.265  126.145   16.669 -16.75729 43.57920 
1 1 1   -9   17   42 o  150.738   24.181  317.494   87.945  348.090  166.322  305.619  103.614  142.055   43.112  144.027   29.792 -1.971466 52.40435 
1 1 1   -9   17   43 o   74.972   28.051   70.635   70.780   47.602  158.794   76.345   79.069   86.368   38.004   77.896   29.538 8.472244 48.13321 
1 1 1   -9   17   44 o   64.075   27.086   25.111   74.591   0.0000   0.0000   25.111   74.591  ?   ?    64.075   27.086 0.000000 27.08554 
1 1 1   -9   17   45 o   68.367   27.558   48.570   72.417  160.569  191.189   29.810   78.247  101.194   43.094   65.552   27.728 35.64214 51.24398 
1 1 1   -9   17   46 o   99.493   17.060  135.513   40.861   73.672  206.039  138.045   41.689   90.163   41.160  100.339   17.260 -10.17554 44.63216 
1 1 1   -9   18    1 o  345.841   12.337  1506.86  106.547  1468.08  150.121  1546.23  151.245  339.295   17.780  348.804   17.364 -9.509338 24.85214 
1 1 1   -9   18    2 o  500.009   16.506  3169.46  206.097  3141.24  291.094  3197.82  291.838  493.897   23.602  498.425   23.447 -4.527557 33.26889 
1 1 1   -9   18    3 o  172.596   9.3958  374.798   40.344  344.729   55.947  407.370   58.231  164.780   13.721  179.342   13.093 -14.56197 18.96545 
1 1 1   -9   18    4 o  461.723   21.616  2725.21  249.236  2483.35  351.615  2969.43  353.337  433.269   32.740  476.163   29.867 -42.89426 44.31611 
1 1 1   -9   18    5 o  216.002   13.608  590.066   73.023  549.955  102.462  631.470  104.099  206.935   20.081  222.190   18.943 -15.25513 27.60535 
1 1 1   -9   18    6 o  332.738   12.335  1392.22  102.493  1443.73  144.241  1339.68  145.664  337.300   17.182  324.617   18.040 12.68298 24.91314 
1 1 1   -9   18    7 o  511.840   19.568  3327.68  250.111  3233.78  432.839  3374.75  306.452  494.130   35.311  513.299   23.908 -19.16919 42.64301 
1 1 1   -9   18    8 o  209.725   9.9391  551.571   52.053  531.655   72.395  572.888   74.898  204.959   14.233  212.805   14.175 -7.846405 20.08756 
1 1 1   -9   18    9 o  518.391   16.952  3396.81  219.444  3423.09  309.846  3370.36  310.838  517.237   23.989  513.097   24.260 4.140259 34.11722 
1 1 1   -9   18   10 o  314.932   11.833  1245.73   93.057  1236.76  130.799  1254.92  132.420  312.420   16.828  314.688   16.913 -2.267853 23.85819 
1 1 1   -9   18   11 o  367.050   12.933  1694.00  118.545  1660.90  166.789  1727.79  168.520  361.666   18.530  369.411   18.268 -7.745026 26.02062 
1 1 1   -9   18   12 o  200.760   9.6636  505.213   48.447  463.974   67.062  550.230   70.066  191.460   14.126  208.698   13.517 -17.23788 19.55136 
1 1 1   -9   18   13 o  391.493   13.578  1928.56  132.747  1938.96  186.885  1917.96  188.592  391.062   19.137  388.850   19.422 2.212189 27.26612 
1 1 1   -9   18   14 o  283.620   11.107  1009.66   78.665  1002.75  110.340  1016.79  112.181  281.477   15.761  283.408   15.915 -1.931946 22.39897 
1 1 1   -9   18   15 o  280.566   11.096  988.103   77.739  979.243  108.883  997.315  111.028  278.130   15.742  280.652   15.908 -2.521576 22.37960 
1 1 1   -9   18   16 o  301.536   13.575  1144.53  102.222  1135.52  123.767  1163.85  181.313  299.300   16.625  300.477   24.374 -1.176880 29.50393 
1 1 1   -9   18   17 o  174.051   14.317  384.259   61.674  394.935   81.080  369.601   95.007  175.498   18.793  168.553   23.186 6.944763 29.84567 
1 1 1   -9   18   18 o  274.081   16.007  952.225  109.080  968.927  149.538  933.232  159.466  274.682   21.985  268.833   24.007 5.849609 32.55227 
1 1 1   -9   18   19 o  428.486   21.260  2341.80  227.484  2480.87  318.529  2197.03  324.991  435.973   29.430  408.478   32.120 27.49429 43.56360 
1 1 1   -9   18   20 o  130.836   14.753  218.651   47.359  238.196   59.578  185.104   78.054  135.924   17.995  117.437   27.157 18.48726 32.57836 
1 1 1   -9   18   21 o  301.649   17.158  1156.34  128.716  1252.57  177.530  1049.69  186.894  311.883   22.956  283.838   26.681 28.04498 35.19714 
1 1 1   -9   18   22 o  383.933   19.119  1874.58  183.300  1812.22  254.132  1942.20  264.637  373.008   27.476  386.127   27.628 -13.11954 38.96477 
1 1 1   -9   18   23 o  213.032   15.180  576.157   80.226  639.394  106.657  493.761  121.747  223.374   19.311  194.056   25.760 29.31853 32.19456 
1 1 1   -9   18   24 o  224.374   15.688  639.652   87.346  751.282  117.182  500.091  131.025  242.151   19.545  194.542   27.758 47.60866 33.94846 
1 1 1   -9   18   25 o  193.074   15.321  474.060   73.260  563.706   95.938  348.666  113.465  209.819   18.500  161.315   29.244 48.50374 34.60381 
1 1 1   -9   18   26 o  189.414   12.675  453.781   59.608  505.520   70.679  326.336  110.930  199.637   14.272  155.787   29.597 43.84920 32.85789 
1 1 1   -9   18   27 f   65.067   17.559   55.547   29.192   79.617   31.987 -64.4157   71.410   77.789   16.946   49.860   23.273 27.92916 28.78932 
1 1 1   -9   18   28 f  164.853   10.717  342.856   43.880  351.569   60.711  333.325   63.493  166.183   14.784  161.523   15.950 4.659958 21.74754 
1 1 1   -9   18   29 o  108.852   11.170  150.492   29.934  155.189   40.524  144.851   44.406  109.791   15.188  105.497   17.467 4.294083 23.14656 
1 1 1   -9   18   30 o  230.608   11.315  668.779   65.159  670.650   91.409  666.847   92.907  229.568   16.046  228.827   16.367 0.7410736 22.92046 
1 1 1   -9   18   31 o  203.100   13.583  522.772   68.492  461.689  128.403  547.063   80.974  186.132   28.535  207.264   15.763 -21.13193 32.59949 
1 1 1   -9   18   32 o  343.505   19.903  1512.71  169.995  1512.71  169.995   0.0000   0.0000  343.505   19.903  ?   ?  0.000000 19.90302 
1 1 1   -9   18   33 o  104.709   12.128  139.947   31.125  155.384   42.362  121.838   45.883  109.600   15.946   95.943   19.807 13.65743 25.42808 
1 1 1   -9   18   34 o  176.477   14.328  396.692   62.597  336.414  125.856  416.505   72.154  155.898   33.338  180.376   16.191 -24.47726 37.06155 
1 1 1   -9   18   35 o  226.649   14.417  653.713   81.172  614.983  157.156  667.804   94.795  213.117   30.391  228.349   16.741 -15.23158 34.69654 
1 1 1   -9   18   36 o  136.245   14.965  238.737   50.075  228.347  115.465  241.144   55.574  126.696   35.222  136.472   16.652 -9.776421 38.96030 
1 1 1   -9   18   37 o  123.645   17.896  200.311   53.649  114.962  114.724  224.198   60.694   96.789   35.811  130.507   19.197 -33.71755 40.63189 
1 1 1   -9   18   38 o  183.977   16.628  438.425   75.567  419.697  141.939  445.833   89.269  170.491   34.523  184.224   19.711 -13.73232 39.75314 
1 1 1   -9   18   39 o  133.689   15.415  232.454   50.521  236.347  130.695  231.770   54.779  124.756   38.288  132.976   16.876 -8.220016 41.84214 
1 1 1   -9   18   40 o  128.985   16.016  218.155   50.476  186.940  143.294  222.577   53.933  111.549   40.218  129.906   17.036 -18.35696 43.67711 
1 1 1   -9   18   41 o   99.239   17.990  132.672   42.941 -57.1585  136.963  153.366   45.221   70.854   32.784  107.056   17.521 -36.20134 37.17213 
1 1 1   -9   18   42 o  198.595   14.423  512.765   71.039  617.266  176.749  492.632   77.581  198.421   37.033  193.649   16.192 4.772415 40.41837 
1 1 1   -9   18   43 o   60.607   19.752   48.533   34.319  129.755  153.081   44.235   35.216   97.416   39.773   58.775   20.028 38.64142 44.53132 
1 1 1   -9   18   44 o   67.108   20.128   62.170   36.410 -95.8627  167.096   70.048   37.306   72.127   34.254   70.894   20.132 1.232834 39.73177 
1 1 1   -9   18   45 o   61.133   26.725   9.1093   77.399   0.0000   0.0000   9.1093   77.399  ?   ?    61.133   26.725 0.000000 26.72470 
1 1 1   -9   18   46 o   49.816   23.267 -44.6045   71.545 -49.6428  199.635 -43.8621   76.635   78.817   37.434   51.824   24.163 26.99259 44.55505 
1 1 1   -9   19    1 o  565.162   17.991  4074.83  253.914  3805.21  358.504  4346.20  359.675  539.366   26.617  578.060   24.917 -38.69379 36.45957 
1 1 1   -9   19    2 o  262.507   10.613  866.665   69.570  825.085   97.332  910.097   99.476  254.683   15.376  267.659   14.943 -12.97629 21.44073 
1 1 1   -9   19    3 o  232.027   10.170  676.510   58.924  675.764   82.507  677.288   84.182  230.734   14.391  230.920   14.675 -0.1857910 20.55368 
1 1 1   -9   19    4 o  452.283   15.061  2588.60  170.107  2512.86  239.985  2665.09  241.153  442.446   21.721  455.957   21.180 -13.51147 30.33752 
1 1 1   -9   19    5 o  423.159   14.441  2262.48  152.601  2225.37  215.113  2300.07  216.513  417.110   20.652  424.156   20.441 -7.046234 29.05786 
1 1 1   -9   19    6 o  154.158   13.621  302.024   51.896   0.0000   0.0000  302.024   51.896  ?   ?   154.158   13.621 0.000000 13.62097 
1 1 1   -9   19    7 o  203.585   19.238  532.124   96.644  532.124   96.644   0.0000   0.0000  203.585   19.238  ?   ?  0.000000 19.23792 
1 1 1   -9   19    8 o  180.479   10.920  410.689   48.984  388.619   60.309  453.473   83.969  175.007   13.915  188.158   18.094 -13.15092 22.82576 
1 1 1   -9   19    9 o  137.005   9.6605  236.630   32.839  221.398   44.538  254.777   48.613  131.839   13.730  141.486   13.940 -9.647217 19.56598 
1 1 1   -9   19   10 o  340.179   12.356  1455.89  104.963  1454.65  147.519  1457.16  149.380  338.313   17.521  338.534   17.732 -0.2207031 24.92823 
1 1 1   -9   19   11 o  301.107   11.565  1139.50   86.957  1132.44  122.078  1146.78  123.894  298.747   16.427  300.596   16.569 -1.848969 23.33183 
1 1 1   -9   19   12 o   70.158   13.125   63.947   22.149   60.661   29.626   68.111   33.350   67.920   17.392   71.910   18.474 -3.990425 25.37243 
1 1 1   -9   19   13 o  276.916   11.092  963.203   76.699  946.116  107.149  981.159  109.839  273.178   15.774  278.180   15.878 -5.001556 22.38118 
1 1 1   -9   19   14 o  152.166   9.8521  291.675   37.236  272.307   51.055  313.684   54.424  146.301   14.152  157.142   14.016 -10.84138 19.91793 
1 1 1   -9   19   15 o  243.366   10.494  743.519   63.775  726.819   88.874  761.249   91.570  239.506   14.934  245.110   15.033 -5.603622 21.18997 
1 1 1   -9   19   16 o  451.006   15.204  2568.96  171.238  2575.46  241.483  2562.38  242.858  449.011   21.537  447.784   21.719 1.226685 30.58639 
1 1 1   -9   19   17 o   81.927   12.251   86.259   24.294   90.941   32.740   80.523   36.241   83.395   16.306   78.082   18.810 5.312996 24.89320 
1 1 1   -9   19   18 o   95.741   11.275  116.754   26.441  115.410   35.786  118.371   39.239   94.324   15.748   95.265   17.124 -0.9406891 23.26402 
1 1 1   -9   19   19 o  190.403   10.186  456.366   48.255  468.547   66.742  443.025   69.851  192.249   13.998  186.675   15.114 5.573303 20.60067 
1 1 1   -9   19   20 o  109.316   11.008  151.642   29.640  164.135   40.128  136.642   43.971  113.131   14.541  102.347   17.854 10.78461 23.02585 
1 1 1   -9   19   21 o  225.709   10.988  640.154   61.933  761.882   86.615  512.807   88.592  245.317   14.200  200.209   17.909 45.10840 22.85526 
1 1 1   -9   19   22 o  410.059   17.049  2132.15  174.578  2405.74  213.093  1573.68  304.450  434.487   19.640  341.709   36.231 92.77777 41.21211 
1 1 1   -9   19   23 o   88.459   14.979  101.521   31.907  120.021   35.649   27.020   71.537   96.286   15.341   67.169   27.280 29.11792 31.29735 
1 1 1   -9   19   24 o  163.233   12.117  337.150   49.040  339.912   56.828  329.093   97.058  163.534   14.052  157.786   25.503 5.747665 29.11768 
1 1 1   -9   19   25 o   75.118   13.588   73.304   24.551   62.736   32.288   87.789   37.800   69.038   18.396   81.466   18.940 -12.42786 26.40348 
1 1 1   -9   19   26 o  277.766   11.738  970.682   81.420  1003.38  114.238  936.927  116.076  280.953   16.353  271.194   17.229 9.759583 23.75474 
1 1 1   -9   19   27 o  194.360   10.634  476.021   51.419  419.168   71.061  538.502   74.495  181.299   15.855  205.964   14.578 -24.66476 21.53860 
1 1 1   -9   19   28 o  294.231   12.040  1089.73   88.460  1085.08  124.124  1094.53  126.103  291.932   17.101  293.136   17.304 -1.203552 24.32817 
1 1 1   -9   19   29 o  290.017   12.201  1059.11   88.362  1165.90  124.893  952.080  125.033  302.779   16.581  272.912   18.455 29.86679 24.80959 
1 1 1   -9   19   30 o  151.095   10.782  288.408   40.416  268.387   55.354  311.267   59.147  144.799   15.552  156.097   15.373 -11.29767 21.86786 
1 1 1   -9   19   31 o  228.813   12.834  662.153   73.035  710.038  118.083  632.485   92.947  234.766   20.343  222.584   16.847 12.18254 26.41316 
1 1 1   -9   19   32 o  220.822   11.945  615.974   65.624  701.605   92.054  527.485   93.578  234.733   15.796  202.547   18.713 32.18597 24.48839 
1 1 1   -9   19   33 o   85.777   13.714   95.228   28.386  108.911   37.303   76.408   43.750   91.137   17.017   76.107   21.864 15.02965 27.70552 
1 1 1   -9   19   34 o  206.752   10.872  539.636   55.937  495.538   78.186  585.876   80.062  196.817   16.048  214.406   15.049 -17.58923 21.99977 
1 1 1   -9   19   35 o  215.895   14.638  594.272   78.453  401.019  149.583  667.603   92.143  167.966   36.689  228.347   16.265 -60.38087 40.13314 
1 1 1   -9   19   36 o   97.824   17.946  126.415   42.224   78.501  105.414  135.572   46.083   87.301   33.849  101.110   18.947 -13.80910 38.79166 
1 1 1   -9   19   37 o  136.560   17.429  243.384   58.079  249.493  122.657  241.618   65.940  130.680   36.293  135.099   20.163 -4.418777 41.51759 
1 1 1   -9   19   38 o  137.936   18.074  250.044   60.759   91.342  124.325  299.842   69.643   92.144   36.452  150.906   18.895 -58.76197 41.05789 
1 1 1   -9   19   39 o  110.270   16.641  160.364   44.397  162.136  125.558  160.110   47.463  106.337   37.720  109.725   17.942 -3.388298 41.76987 
1 1 1   -9   19   40 o  112.930   16.708  168.856   45.694 -33.7019  128.049  198.414   48.915   71.693   32.619  122.712   16.371 -51.01878 36.49670 
1 1 1   -9   19   41 o  166.100   15.087  359.926   61.898  243.380  154.894  382.074   67.524  121.253   41.978  170.710   16.027 -49.45641 44.93336 
1 1 1   -9   19   42 o  126.484   15.977  211.691   49.339  392.069  153.889  191.025   52.089  153.911   39.758  119.141   18.075 34.77039 43.67423 
1 1 1   -9   19   43 o   94.582   18.672  122.640   42.537  231.950  159.926  114.318   44.126  115.706   42.369   90.701   20.018 25.00567 46.85971 
1 1 1   -9   19   44 o   89.668   19.021  111.422   41.271  102.891  174.825  111.925   42.472   93.804   40.593   89.664   19.522 4.139717 45.04305 
1 1 1   -9   19   45 f   77.451   20.021   84.804   39.005  182.510  192.189   80.607   39.833  103.408   43.582   75.387   20.582 28.02050 48.19722 
1 1 1   -9   19   46 o   72.405   29.770   58.077   86.522   0.0000   0.0000   58.077   86.522  ?   ?    72.405   29.770 0.000000 29.77044 
1 1 1   -9   20    1 o  237.738   14.971  720.096   88.422  665.977  122.555  778.855  127.700  225.984   21.996  244.941   21.083 -18.95702 30.46824 
1 1 1   -9   20    2 o  331.782   12.115  1388.89  100.378  1356.15  141.377  1422.16  142.543  325.599   17.451  333.576   17.170 -7.976837 24.48198 
1 1 1   -9   20    3 o  369.967   13.094  1729.32  120.968  1649.25  170.397  1810.67  171.762  358.466   19.104  376.484   18.270 -18.01831 26.43398 
1 1 1   -9   20    4 o  124.638   9.3002  196.156   28.738  119.632   38.815  288.998   42.754   95.639   16.869  151.059   11.418 -55.41998 20.36969 
1 1 1   -9   20    5 o  229.869   15.054  672.199   85.938   0.0000   0.0000  672.199   85.938  ?   ?   229.869   15.054 0.000000 15.05424 
1 1 1   -9   20    6 o  310.476   13.337  1217.09  103.406  1184.00  124.339  1291.32  186.213  304.948   16.388  315.193   23.834 -10.24500 28.92478 
1 1 1   -9   20    7 o  427.733   14.573  2314.10  155.657  2280.20  219.360  2348.48  220.913  421.772   20.827  428.128   20.663 -6.355438 29.33829 
1 1 1   -9   20    8 o  344.741   12.593  1497.96  108.413  1432.35  152.180  1565.57  154.485  334.911   18.265  350.409   17.712 -15.49866 25.44274 
1 1 1   -9   20    9 o  259.308   14.827  852.990   95.611  733.379  134.652  974.617  135.782  237.721   22.969  275.566   19.865 -37.84479 30.36756 
1 1 1   -9   20   10 o  131.291   13.074  219.414   42.294  211.382   59.400  227.673   60.236  127.430   19.268  132.484   18.729 -5.053955 26.87060 
1 1 1   -9   20   11 o   89.960   11.276  103.328   24.774   90.122   33.024  120.325   37.465   82.911   16.530   96.208   16.168 -13.29732 23.12252 
1 1 1   -9   20   12 o  203.966   9.7415  522.188   49.617  503.869   68.510  542.396   71.955  199.357   13.848  206.835   14.014 -7.477997 19.70136 
1 1 1   -9   20   13 o  248.767   10.661  777.549   66.230  807.169   92.405  746.258   94.975  252.332   14.729  242.318   15.781 10.01341 21.58678 
1 1 1   -9   20   14 o  363.264   13.099  1663.23  118.824  1693.39  167.087  1632.37  169.016  364.441   18.419  357.564   18.997 6.877655 26.46046 
1 1 1   -9   20   15 o  348.660   12.400  1530.68  107.966  1482.36  151.399  1580.67  154.008  341.148   17.834  352.851   17.478 -11.70364 24.97067 
1 1 1   -9   20   16 o  210.765   10.084  557.753   53.072  547.925   73.529  568.442   76.681  207.852   14.252  211.646   14.598 -3.793915 20.40159 
1 1 1   -9   20   17 o  354.294   12.911  1581.70  114.226  1623.41  160.408  1538.80  162.696  356.953   18.054  347.197   18.836 9.756317 26.09083 
1 1 1   -9   20   18 o  309.737   11.945  1207.32   92.388  1194.83  129.477  1220.27  131.869  306.461   16.985  309.670   17.119 -3.209076 24.11553 
1 1 1   -9   20   19 o  314.860   11.471  1246.86   90.189  1184.69  125.802  1312.60  129.367  305.282   16.564  321.925   16.092 -16.64294 23.09380 
1 1 1   -9   20   20 o  229.482   10.492  661.574   60.125  646.268   83.479  678.073   86.671  225.639   14.899  231.097   15.102 -5.457703 21.21420 
1 1 1   -9   20   21 o  342.004   12.691  1473.64  108.385  1547.93  152.474  1397.76  154.099  348.672   17.568  330.845   18.729 17.82755 25.67887 
1 1 1   -9   20   22 o  234.435   10.915  690.836   63.900  720.874   89.009  658.892   91.790  238.311   15.034  227.473   16.266 10.83882 22.14984 
1 1 1   -9   20   23 o   89.831   12.177  103.410   26.611   89.269   35.704  121.085   39.915   82.274   17.888   96.282   17.234 -14.00841 24.83951 
1 1 1   -9   20   24 o  153.380   10.171  296.740   38.735  303.320   52.871  289.115   56.912  154.419   13.858  150.409   15.368 4.010040 20.69383 
1 1 1   -9   20   25 o  290.620   11.989  1063.22   87.011  1118.91  121.770  1005.12  124.376  296.617   16.505  280.650   17.839 15.96701 24.30347 
1 1 1   -9   20   26 o  166.344   10.525  349.044   43.495  363.065   59.663  333.140   63.543  168.958   14.274  161.415   15.974 7.543381 21.42246 
1 1 1   -9   20   27 o  228.276   11.053  655.226   63.005  735.112   87.832  570.545   90.430  240.719   14.682  211.281   17.291 29.43834 22.68335 
1 1 1   -9   20   28 o  134.236   10.859  227.985   36.089  199.921   49.120  260.902   53.199  124.598   16.168  142.832   15.146 -18.23380 22.15441 
1 1 1   -9   20   29 o  138.105   10.845  241.253   37.101  254.146   50.651  226.327   54.497  141.057   14.590  132.515   16.850 8.541901 22.28864 
1 1 1   -9   20   30 o  240.352   13.074  730.862   78.173  782.204  127.658  700.059   98.881  246.212   20.962  234.149   17.028 12.06334 27.00668 
1 1 1   -9   20   31 f  163.673   15.465  342.346   62.462  342.346   62.462   0.0000   0.0000  163.673   15.465  ?   ?  0.000000 15.46548 
1 1 1   -9   20   32 o  210.361   10.815  558.172   56.619  591.651   78.911  522.649   81.285  215.678   14.740  202.248   16.231 13.42981 21.92517 
1 1 1   -9   20   33 o   80.762   13.821   84.745   26.871  110.801   35.262   48.658   41.498   92.154   15.897   63.671   21.741 28.48316 26.93313 
1 1 1   -9   20   34 o  244.164   11.463  751.730   69.891  793.852   98.409  708.859   99.278  249.314   15.889  235.143   17.022 14.17050 23.28570 
1 1 1   -9   20   35 o  239.283   13.843  728.666   82.362  872.224  158.969  675.993   96.293  256.577   25.134  229.365   16.932 27.21207 30.30485 
1 1 1   -9   20   36 o  124.973   15.779  202.489   48.146  347.801  117.598  173.228   52.771  157.784   30.952  114.442   19.142 43.34280 36.39253 
1 1 1   -9   20   37 o  144.365   15.487  269.659   54.960  296.041  119.751  262.619   61.860  142.950   34.035  141.633   17.889 1.316559 38.45047 
1 1 1   -9   20   38 o   58.587   20.596   40.814   37.357   87.265  110.793   34.855   39.680   88.569   34.601   56.884   21.058 31.68505 40.50548 
1 1 1   -9   20   39 o   60.794   20.750   46.128   37.799  136.432  115.294   35.252   40.011   99.211   36.028   56.948   21.133 42.26326 41.76833 
1 1 1   -9   20   40 o  144.114   15.868  272.208   56.161  245.627  139.856  277.318   61.322  123.683   39.838  144.848   17.295 -21.16448 43.42994 
1 1 1   -9   20   41 o   65.987   20.627   58.625   37.737  173.117  135.392   48.981   39.294  106.052   38.961   61.915   21.156 44.13703 44.33419 
1 1 1   -9   20   42 o  130.602   16.661  226.868   53.101  187.159  149.595  232.593   56.799  107.941   40.702  131.755   17.712 -23.81425 44.38860 
1 1 1   -9   20   43 o   90.283   19.309  112.779   42.216   90.566  150.905  114.664   43.971   90.388   38.384   90.791   19.940 -0.4032669 43.25456 
1 1 1   -9   20   44 o   85.803   19.809  103.129   41.585  287.073  165.250   90.692   42.968  123.846   43.331   79.970   21.180 43.87600 48.23040 
1 1 1   -9   20   45 o   58.083   20.259   43.522   36.110   68.091  177.573   42.462   36.881   87.788   39.312   57.787   20.449 30.00165 44.31242 
1 1 1   -9   20   46 o  122.872   18.614  209.054   55.327   0.0000   0.0000  209.054   55.327  ?   ?   122.872   18.614 0.000000 18.61448 
1 1 1   -9   21    1 f  286.217   11.260  1033.33   80.479  990.456  113.324  1076.96  114.313  278.193   16.385  290.360   15.825 -12.16681 22.77948 
1 1 1   -9   21    2 o  237.708   10.412  711.510   61.805  659.147   86.558  765.977   88.279  227.187   15.347  245.271   14.477 -18.08394 21.09812 
1 1 1   -9   21    3 o   86.471   18.706   99.336   39.219  119.238   51.538   71.955   60.451   94.165   22.267   76.498   26.239 17.66631 34.41383 
1 1 1   -9   21    4 o  333.542   12.231  1404.40  101.871  1341.15  143.369  1468.90  144.775  323.515   17.815  338.922   17.162 -15.40793 24.73669 
1 1 1   -9   21    5 o  178.322   9.9072  401.038   43.943  426.899   61.021  373.181   63.334  183.253   13.428  170.886   14.993 12.36693 20.12723 
1 1 1   -9   21    6 o  120.164   10.097  182.824   30.017  206.526   40.554  154.106   44.640  127.235   12.944  108.790   16.987 18.44519 21.35651 
1 1 1   -9   21    7 o  225.633   9.9029  639.898   55.797  599.953   77.186  683.623   80.754  217.245   14.308  232.043   14.002 -14.79761 20.01910 
1 1 1   -9   21    8 o   98.518   10.602  123.469   25.673  115.968   34.199  133.154   38.860   94.565   14.982  101.266   15.890 -6.701546 21.83900 
1 1 1   -9   21    9 o  183.590   9.9010  424.728   45.224  439.247   62.557  408.833   65.454  185.977   13.564  179.105   14.766 6.871674 20.05019 
1 1 1   -9   21   10 o  119.659   10.154  181.219   30.054  163.543   40.354  203.235   45.037  112.768   14.678  125.922   14.593 -13.15399 20.69752 
1 1 1   -9   21   11 o  225.988   14.146  648.079   79.428  633.158  112.260  663.037  112.395  221.409   20.538  226.783   20.053 -5.373779 28.70426 
1 1 1   -9   21   12 o  181.535   13.352  418.170   60.102  383.986   85.073  452.233   84.922  172.133   20.174  187.529   18.370 -15.39648 27.28477 
1 1 1   -9   21   13 o  388.470   13.931  1906.55  135.137  2053.76  190.365  1757.00  191.869  401.173   19.002  369.703   20.868 31.47076 28.22337 
1 1 1   -9   21   14 o  165.835   9.8347  346.578   40.546  331.023   55.091  364.961   59.890  161.327   13.808  169.344   14.296 -8.017151 19.87541 
1 1 1   -9   21   15 o  273.293   10.903  939.214   74.406  884.454  103.389  998.046  107.164  263.739   15.771  280.343   15.366 -16.60410 22.01887 
1 1 1   -9   21   16 o  320.317   12.140  1292.36   97.109  1307.43  136.134  1276.75  138.563  320.385   17.077  316.396   17.607 3.989288 24.52834 
1 1 1   -9   21   17 o  473.109   15.930  2836.95  188.203  2880.50  265.284  2792.81  267.043  473.271   22.447  465.696   22.963 7.574677 32.11153 
1 1 1   -9   21   18 o  229.831   10.570  663.910   60.663  680.081   84.110  646.380   87.575  231.473   14.626  225.373   15.658 6.100784 21.42663 
1 1 1   -9   21   19 o  360.403   12.671  1637.25  114.040  1547.32  159.751  1730.70  162.848  348.076   18.445  368.902   17.678 -20.82660 25.54806 
1 1 1   -9   21   20 f  226.136   10.568  642.727   59.679  634.689   82.050  651.756   86.963  223.546   14.781  226.363   15.477 -2.816315 21.40164 
1 1 1   -9   21   21 o  225.533   10.472  639.229   58.977  609.765   81.352  671.870   85.626  219.049   14.962  229.972   14.992 -10.92331 21.18047 
1 1 1   -9   21   22 o  444.988   15.023  2505.55  166.943  2518.51  234.602  2492.27  237.614  443.242   21.195  440.711   21.591 2.530762 30.25563 
1 1 1   -9   21   23 o  292.843   11.639  1079.37   85.111  1146.39  119.584  1010.58  121.161  300.324   16.003  281.493   17.320 18.83087 23.58157 
1 1 1   -9   21   24 o  207.089   10.743  540.560   55.368  570.044   76.405  507.956   80.348  211.866   14.529  199.505   16.269 12.36145 21.81255 
1 1 1   -9   21   25 o  148.570   10.386  278.698   38.292  266.880   51.836  292.892   56.810  144.590   14.554  151.386   15.235 -6.796158 21.06918 
1 1 1   -9   21   26 o  179.428   10.843  406.246   48.354  396.365   66.325  417.455   70.644  176.329   15.212  180.848   15.801 -4.518524 21.93344 
1 1 1   -9   21   27 o  365.601   14.219  1689.25  129.819  1859.77  182.743  1515.53  184.452  381.250   19.257  342.963   21.648 38.28714 28.97366 
1 1 1   -9   21   28 o  272.334   11.356  933.323   77.226  992.955  107.436  869.574  111.083  279.565   15.449  261.040   17.136 18.52451 23.07198 
1 1 1   -9   21   29 f  159.084   13.754  322.003   54.102  354.641   99.789  308.415   64.386  163.649   25.229  154.922   16.918 8.726624 30.37650 
1 1 1   -9   21   30 o  179.664   11.449  407.999   51.100  441.624   70.141  369.967   74.596  186.107   15.226  169.535   17.890 16.57175 23.49215 
1 1 1   -9   21   31 o  278.065   12.673  975.630   87.998  1032.60  123.110  916.109  125.830  284.246   17.428  267.091   18.989 17.15479 25.77479 
1 1 1   -9   21   32 o  204.531   10.864  528.047   55.287  536.375   76.483  518.933   80.013  205.138   15.035  201.474   16.036 3.663895 21.98206 
1 1 1   -9   21   33 o  227.163   11.831  652.721   66.883  728.134   93.497  573.687   95.716  238.799   15.768  210.990   18.349 27.80870 24.19311 
1 1 1   -9   21   34 o  118.171   11.535  177.861   33.604  163.086   44.771  196.923   50.854  111.935   16.513  123.071   17.001 -11.13575 23.70040 
1 1 1   -9   21   35 f  249.034   12.555  787.321   77.826  893.091  109.480  679.270  110.655  263.638   16.716  228.556   19.577 35.08153 25.74232 
1 1 1   -9   21   36 o  107.745   16.588  152.144   43.200  229.219  107.231  137.210   47.200  126.175   33.479  101.392   19.348 24.78311 38.66782 
1 1 1   -9   21   37 o  161.839   14.690  337.633   58.723  303.006  124.231  347.596   66.638  143.549   34.977  163.553   16.544 -20.00397 38.69234 
1 1 1   -9   21   38 f  174.274   17.361  397.366   74.547  306.523  140.357  433.062   87.983  140.906   38.703  180.796   19.812 -39.88995 43.47892 
1 1 1   -9   21   39 o  102.240   20.083  142.221   49.445  115.759  123.025  147.318   53.998   94.887   36.630  103.509   21.589 -8.622093 42.51896 
1 1 1   -9   21   40 o  115.375   17.796  178.110   49.625  132.259  128.137  186.200   53.825   97.727   37.472  117.498   18.992 -19.77090 42.01051 
1 1 1   -9   21   41 o  175.140   15.280  401.474   66.161  364.601  153.427  409.897   73.329  147.698   40.422  176.104   16.881 -28.40543 43.80530 
1 1 1   -9   21   42 f   71.855   20.744   71.686   39.297  229.141  144.385   59.089   40.839  116.232   40.512   66.236   21.545 49.99632 45.88487 
1 1 1   -9   21   43 o   77.943   20.806   85.479   41.254  155.521  153.088   79.995   42.839  100.510   40.226   75.353   21.631 25.15789 45.67286 
1 1 1   -9   21   44 o   98.836   19.843  136.378   47.274   14.454  171.166  146.446   49.188   82.134   37.502  102.456   19.943 -20.32241 42.47487 
1 1 1   -9   21   45 o   63.734   20.991   55.670   38.721  160.403  172.922   50.141   39.730   98.568   41.430   61.478   21.261 37.09008 46.56707 
1 1 1   -9   21   46 o  118.485   17.526  192.955   50.292  207.025  197.038  191.974   52.015  102.554   43.713  117.721   18.287 -15.16733 47.38403 
1 1 1   -9   22    1 o  161.386   9.6920  329.016   38.879  343.159   55.011  314.902   54.954  163.939   13.559  156.832   14.185 7.106613 19.62346 
1 1 1   -9   22    2 o  144.347   10.039  263.616   35.960  219.260   50.356  309.777   51.370  130.251   15.806  155.797   13.332 -25.54590 20.67765 
1 1 1   -9   22    3 o  231.325   10.379  674.081   59.958  622.705   83.885  727.745   85.732  220.695   15.316  238.963   14.435 -18.26808 21.04591 
1 1 1   -9   22    4 o  227.285   14.890  659.138   84.043   0.0000   0.0000  659.138   84.043  ?   ?   227.285   14.890 0.000000 14.88979 
1 1 1   -9   22    5 o  193.942   20.419  489.703   97.404  489.703   97.404   0.0000   0.0000  193.942   20.419  ?   ?  0.000000 20.41883 
1 1 1   -9   22    6 o  186.726   9.6468  439.572   44.828  382.512   61.755  503.133   65.177  173.094   14.418  199.004   13.190 -25.91008 19.54131 
1 1 1   -9   22    7 o  261.507   10.899  861.399   71.175  838.390   99.657  885.355  101.686  256.355   15.642  263.504   15.522 -7.148712 22.03651 
1 1 1   -9   22    8 o  187.865   9.7159  444.849   45.425  438.400   62.650  451.996   65.957  185.658   13.608  188.398   14.122 -2.739716 19.61165 
1 1 1   -9   22    9 o  211.583   10.172  563.072   53.747  589.588   74.652  534.534   77.446  215.385   13.955  204.681   15.262 10.70317 20.67963 
1 1 1   -9   22   10 o  176.896   9.8789  394.571   43.465  429.587   59.770  355.271   63.321  183.943   13.098  166.639   15.391 17.30406 20.20934 
1 1 1   -9   22   11 o  391.672   14.039  1941.24  137.312  2102.79  193.358  1776.89  195.031  405.355   19.102  371.068   21.135 34.28705 28.48799 
1 1 1   -9   22   12 o  239.461   10.387  721.160   62.109  691.490   86.038  753.447   89.752  233.156   14.855  243.421   14.836 -10.26491 20.99430 
1 1 1   -9   22   13 o  228.732   10.602  658.114   60.556  666.136   83.599  649.257   87.836  228.890   14.704  225.681   15.683 3.209198 21.49784 
1 1 1   -9   22   14 o  239.118   14.634  726.519   86.962  714.989  123.202  737.966  122.764  234.982   21.225  238.928   20.783 -3.946304 29.70546 
1 1 1   -9   22   15 o  176.638   13.577  396.464   59.429  319.689   84.471  471.711   83.626  156.098   22.304  191.675   17.670 -35.57715 28.45559 
1 1 1   -9   22   16 o  169.082   10.078  360.538   42.357  354.050   57.502  368.235   62.631  166.795   13.933  169.898   14.913 -3.102829 20.40899 
1 1 1   -9   22   17 o  327.308   12.403  1350.76  101.374  1378.88  141.895  1321.44  144.881  328.744   17.346  321.492   18.120 7.251526 25.08438 
1 1 1   -9   22   18 o  322.162   12.318  1308.36   99.095  1304.89  138.528  1312.00  141.812  319.771   17.414  320.494   17.789 -0.7223511 24.89345 
1 1 1   -9   22   19 o  245.636   10.314  758.424   63.266  675.397   87.075  851.260   92.076  230.418   15.219  259.064   14.288 -28.64603 20.87488 
1 1 1   -9   22   20 o  426.110   14.720  2297.96  156.627  2269.39  220.092  2327.27  222.944  420.560   20.957  425.886   20.963 -5.326141 29.64176 
1 1 1   -9   22   21 o  420.815   14.468  2240.06  152.037  2238.71  213.312  2241.46  216.755  418.004   20.435  418.090   20.761 -0.8587646E-01 29.13117 
1 1 1   -9   22   22 o   98.555   12.034  124.140   29.001  128.678   38.539  118.214   44.037   99.523   16.053   94.580   19.299 4.942970 25.10262 
1 1 1   -9   22   23 o  401.655   14.031  2038.97  140.731  2064.79  196.988  2012.05  201.124  401.871   19.629  395.847   20.416 6.024689 28.32159 
1 1 1   -9   22   24 o  471.696   16.372  2824.38  192.847  2971.71  271.777  2674.98  273.687  480.249   22.662  454.072   24.224 26.17682 33.17190 
1 1 1   -9   22   25 o  185.853   10.594  435.677   48.966  458.044   67.458  410.770   71.187  189.801   14.339  179.258   16.074 10.54312 21.53959 
1 1 1   -9   22   26 o  213.904   10.795  576.899   57.475  587.275   78.852  565.137   83.952  214.920   14.782  210.460   16.096 4.460022 21.85376 
1 1 1   -9   22   27 o  272.798   12.006  937.678   81.789  1021.23  113.756  848.261  117.679  283.220   16.151  257.272   18.439 25.94806 24.51258 
1 1 1   -9   22   28 f  180.107   11.058  409.710   49.495  447.358   67.723  366.544   72.517  187.464   14.581  168.844   17.451 18.61903 22.74080 
1 1 1   -9   22   29 o  292.205   14.232  1080.26  103.848  1158.82  171.437  1034.72  130.519  298.633   23.170  284.142   18.495 14.49112 29.64678 
1 1 1   -9   22   30 o  137.801   13.599  242.289   46.185  226.249   50.356  327.267  115.902  132.686   15.489  154.578   31.103 -21.89218 34.74596 
1 1 1   -9   22   31 o  272.105   11.894  933.695   80.821  975.333  112.041  888.523  116.698  276.458   16.301  263.254   17.857 13.20370 24.17880 
1 1 1   -9   22   32 o  217.442   11.135  597.341   60.262  626.157   83.308  565.712   87.278  221.555   15.148  210.028   16.781 11.52731 22.60695 
1 1 1   -9   22   33 o  177.791   11.599  400.603   51.214  445.108   70.484  350.830   74.540  186.472   15.271  164.428   18.473 22.04454 23.96769 
1 1 1   -9   22   34 o  191.344   11.018  463.563   52.422  464.013   72.112  463.059   76.340  190.224   15.310  189.706   16.272 0.5181885 22.34262 
1 1 1   -9   22   35 o  195.820   12.004  487.351   58.418  551.860   81.127  417.879   84.190  207.129   15.804  178.816   19.152 28.31348 24.83063 
1 1 1   -9   22   36 o  180.622   11.895  415.421   53.351  440.969   74.304  388.234   76.650  184.585   16.287  172.408   18.072 12.17754 24.32836 
1 1 1   -9   22   37 o  308.263   16.824  1231.37  129.022  1396.81  235.936  1160.79  154.106  316.038   30.265  296.317   20.962 19.72153 36.81559 
1 1 1   -9   22   38 o  221.156   16.803  637.885   92.102  637.256  156.092  638.222  114.076  211.355   30.454  218.538   21.169 -7.183167 37.08817 
1 1 1   -9   22   39 o   85.758   21.005  101.713   44.627  115.698  115.143   99.241   48.410   93.395   35.590   84.364   22.547 9.031693 42.13117 
1 1 1   -9   22   40 o  145.644   15.896  279.110   56.873  336.541  137.836  267.326   62.436  144.771   37.740  141.462   18.089 3.308289 41.85114 
1 1 1   -9   22   41 o  165.009   16.040  359.009   65.258  244.341  157.646  382.721   71.688  119.124   42.265  169.790   17.142 -50.66560 45.60912 
1 1 1   -9   22   42 f   82.012   21.139   94.688   43.566 -101.8569  143.958  114.503   45.709   66.765   31.732   90.429   20.690 -23.66402 37.88168 
1 1 1   -9   22   43 o  107.953   18.345  159.300   47.684  290.490  152.094  144.999   50.216  126.766   41.594  101.863   20.452 24.90307 46.35046 
1 1 1   -9   22   44 o   47.207   19.255   15.766   35.835   20.752  156.258   15.490   36.816   79.975   36.250   47.557   19.471 32.41780 41.14796 
1 1 1   -9   22   45 o   93.422   20.030  123.720   45.326  364.790  177.650  106.935   46.877  132.706   44.985   85.883   21.815 46.82326 49.99524 
1 1 1   -9   22   46 o   58.184   21.095   43.398   39.501 -82.0706  189.938   49.070   40.384   73.469   35.328   60.639   21.405 12.82973 41.30686 
1 1 1   -9   23    1 o  254.352   11.553  817.982   73.378  702.183  103.376  935.571  104.172  233.012   17.903  270.263   15.500 -37.25038 23.68043 
1 1 1   -9   23    2 o  153.506   10.146  298.253   38.673  258.464   54.522  338.541   54.863  141.479   15.697  162.742   13.625 -21.26331 20.78555 
1 1 1   -9   23    3 o  221.101   15.707  626.695   86.157   0.0000   0.0000  626.695   86.157  ?   ?   221.101   15.707 0.000000 15.70671 
1 1 1   -9   23    4 o  107.945   15.183  151.104   39.797  151.104   39.797   0.0000   0.0000  107.945   15.183  ?   ?  0.000000 15.18340 
1 1 1   -9   23    5 o  130.340   10.186  215.242   32.889  194.747   45.131  238.452   48.027  122.863   15.023  136.307   14.324 -13.44451 20.75715 
1 1 1   -9   23    6 o  204.569   10.076  526.891   51.474  527.481   71.549  526.257   74.110  203.391   14.176  202.990   14.720 0.4010010 20.43610 
1 1 1   -9   23    7 o  359.354   18.922  1662.98  169.201  1699.77  237.161  1624.84  241.470  357.998   26.721  349.038   27.938 8.959869 38.65931 
1 1 1   -9   23    8 o  237.636   10.441  711.141   61.962  701.150   86.025  721.912   89.323  234.527   14.764  237.870   15.116 -3.342697 21.12963 
1 1 1   -9   23    9 o  205.038   10.190  529.112   52.175  558.506   72.077  496.753   75.626  209.516   13.854  197.074   15.492 12.44173 20.78316 
1 1 1   -9   23   10 o   78.919   12.698   80.619   24.175   89.892   32.001   68.293   36.896   82.701   16.075   71.786   19.894 10.91427 25.57661 
1 1 1   -9   23   11 o  149.844   10.002  283.654   37.210  306.674   50.540  256.404   54.987  155.193   13.165  141.153   15.875 14.04015 20.62386 
1 1 1   -9   23   12 o  271.817   11.304  931.090   76.730  959.502  106.981  900.992  110.111  274.345   15.681  265.456   16.696 8.888885 22.90485 
1 1 1   -9   23   13 o  126.878   10.293  203.824   32.330  217.599   43.350  186.560   48.531  130.495   13.498  119.978   16.647 10.51717 21.43145 
1 1 1   -9   23   14 o  218.614   10.398  601.283   56.766  630.700   78.466  568.981   82.223  222.743   14.181  211.087   15.711 11.65663 21.16417 
1 1 1   -9   23   15 o  129.671   10.506  212.915   33.728  227.589   45.155  194.395   50.726  133.456   13.746  122.440   17.053 11.01595 21.90360 
1 1 1   -9   23   16 o  281.988   11.527  1001.93   81.173  944.316  111.485  1066.94  118.421  272.003   16.491  289.191   16.466 -17.18787 23.30441 
1 1 1   -9   23   17 o  413.055   20.308  2190.13  209.467  2197.08  296.736  2183.23  295.729  406.793   29.409  405.506   29.404 1.286621 41.58720 
1 1 1   -9   23   18 o  171.329   13.965  373.688   59.229  313.107   85.158  430.453   82.433  154.193   22.804  182.768   18.308 -28.57533 29.24380 
1 1 1   -9   23   19 o  139.937   12.468  248.940   43.113  243.556   69.625  252.288   54.906  136.180   21.161  140.094   15.980 -3.914352 26.51711 
1 1 1   -9   23   20 o  310.315   11.891  1213.62   92.146  1217.54  128.179  1209.44  132.559  309.007   16.673  307.722   17.321 1.284821 24.04160 
1 1 1   -9   23   21 o  217.686   10.602  596.058   57.635  579.860   78.788  614.704   84.533  213.456   14.874  219.626   15.513 -6.169891 21.49143 
1 1 1   -9   23   22 o  255.803   11.245  823.806   71.833  808.916   99.197  840.222  104.159  251.989   15.845  256.678   16.335 -4.689148 22.75724 
1 1 1   -9   23   23 o  170.071   10.531  365.133   44.506  366.401   60.177  363.602   66.125  169.583   14.345  168.548   15.898 1.035461 21.41317 
1 1 1   -9   23   24 f  249.364   11.393  783.020   70.943  802.837   97.641  760.861  103.251  251.100   15.649  243.975   17.054 7.124146 23.14651 
1 1 1   -9   23   25 o  158.533   10.595  317.507   41.702  290.108   55.931  351.803   62.577  150.588   15.076  165.917   15.275 -15.32861 21.46181 
1 1 1   -9   23   26 o  161.320   10.968  329.006   43.922  299.016   59.059  366.120   65.700  152.740   15.708  169.160   15.733 -16.41966 22.23248 
1 1 1   -9   23   27 o  221.066   11.613  617.370   63.885  723.150   88.833  504.061   91.941  238.415   14.997  197.745   18.847 40.66928 24.08570 
1 1 1   -9   23   28 o  223.337   16.923  638.369   93.679   0.0000   0.0000  638.369   93.679  ?   ?   223.337   16.923 0.000000 16.92259 
1 1 1   -9   23   29 o  244.008   15.623  759.034   94.695  759.034   94.695   0.0000   0.0000  244.008   15.623  ?   ?  0.000000 15.62269 
1 1 1   -9   23   30 o   80.698   14.953   85.153   29.024   81.885   37.163   90.261   46.470   78.423   19.144   82.164   22.146 -3.740631 29.27366 
1 1 1   -9   23   31 o  238.027   11.549  714.639   68.645  741.602   94.826  684.953   99.500  240.912   15.851  230.953   17.380 9.959549 23.52250 
1 1 1   -9   23   32 o  124.521   11.541  197.329   35.478  209.936   46.807  180.304   54.391  127.679   14.964  116.998   19.289 10.68058 24.41275 
1 1 1   -9   23   33 o  181.984   11.324  419.803   51.209  401.155   69.450  442.020   75.807  176.588   15.920  185.212   16.565 -8.623657 22.97538 
1 1 1   -9   23   34 o  132.042   11.106  221.834   36.279  179.065   47.669  280.706   55.928  117.053   16.789  147.477   15.414 -30.42408 22.79175 
1 1 1   -9   23   35 o  129.107   12.050  213.163   38.401  234.842   51.690  186.457   57.369  134.516   15.682  118.170   20.165 16.34684 25.54496 
1 1 1   -9   23   36 o  133.801   11.550  228.751   38.214  209.350   50.779  254.087   58.029  126.467   16.469  139.297   17.037 -12.82903 23.69630 
1 1 1   -9   23   37 o  302.912   17.743  1198.02  133.628  1305.15  206.529  1120.87  175.256  307.448   27.180  287.209   24.675 20.23898 36.71023 
1 1 1   -9   23   38 o  113.188   19.359  172.907   52.752  126.379  117.534  184.645   59.032   96.247   36.120  116.282   21.107 -20.03550 41.83505 
1 1 1   -9   23   39 o  101.849   20.164  142.270   49.470  229.049  130.630  127.740   53.451  119.301   38.509   95.387   22.758 23.91469 44.73082 
1 1 1   -9   23   40 o  205.767   15.084  553.023   76.968  800.502  167.209  486.488   86.699  234.790   29.145  190.883   18.417 43.90735 34.47673 
1 1 1   -9   23   41 o  117.062   17.325  184.212   49.116  324.664  134.454  162.584   52.762  140.332   37.606  108.495   20.218 31.83684 42.69610 
1 1 1   -9   23   42 o   66.176   21.400   59.615   40.328   77.408  136.091   57.902   42.225   85.929   36.469   65.653   21.933 20.27628 42.55635 
1 1 1   -9   23   43 o   75.510   21.426   80.953   42.273  245.903  148.080   66.318   44.109  116.495   41.002   69.116   22.384 47.37939 46.71429 
1 1 1   -9   23   44 o   78.203   21.656   87.960   43.739   28.045  163.307   92.590   45.397   81.229   36.911   80.078   22.017 1.150864 42.97910 
1 1 1   -9   23   45 o   73.707   22.601   78.895   45.551 -41.6475  183.820   86.781   47.018   76.386   36.175   76.980   22.824 -0.5934219 42.77329 
1 1 1   -9   24    1 f  149.186   10.528  282.454   38.970  250.440   56.186  312.131   54.096  138.763   16.541  155.920   14.044 -17.15668 21.69872 
1 1 1   -9   24    2 o  254.302   14.885  828.049   94.113  911.710  137.876  755.061  128.781  263.645   21.119  239.428   21.777 24.21609 30.33593 
1 1 1   -9   24    3 o  175.015   11.077  388.489   48.161  341.483   66.921  438.990   69.364  162.393   16.742  184.878   15.158 -22.48558 22.58462 
1 1 1   -9   24    4 o  178.490   10.447  403.194   46.361  337.906   64.532  472.836   66.649  161.780   16.191  192.365   13.970 -30.58521 21.38455 
1 1 1   -9   24    5 o  346.623   12.787  1522.54  110.683  1514.92  155.633  1530.35  157.442  342.711   18.251  344.382   18.374 -1.671570 25.89795 
1 1 1   -9   24    6 o  148.680   9.9645  279.661   36.782  234.461   50.551  330.516   53.620  134.832   15.284  160.871   13.472 -26.03851 20.37336 
1 1 1   -9   24    7 o  185.193   10.102  433.258   46.540  413.470   64.566  454.658   67.144  179.792   14.504  188.628   14.362 -8.836014 20.41204 
1 1 1   -9   24    8 o  259.853   11.010  851.730   71.443  863.776   99.611  838.969  102.523  259.995   15.411  255.946   16.123 4.048630 22.30366 
1 1 1   -9   24    9 o   86.842   20.214  101.035   43.015   71.064   53.082  158.360   73.412   74.709   24.575  107.347   27.318 -32.63751 36.74535 
1 1 1   -9   24   10 o  110.736   13.198  157.364   35.778  175.612   59.118  146.817   44.944  114.813   21.407  105.801   17.631 9.012077 27.73309 
1 1 1   -9   24   11 o   65.363   14.714   56.351   23.438   74.674   31.087   32.219   35.676   75.045   16.985   54.883   20.024 20.16219 26.25734 
1 1 1   -9   24   12 o  262.388   11.224  868.071   73.541  925.385  101.859  805.665  106.288  269.415   15.202  250.639   17.084 18.77571 22.86825 
1 1 1   -9   24   13 o  107.180   11.071  146.276   29.205  149.558   38.907  142.039   44.202  107.569   14.883  104.087   17.635 3.482635 23.07599 
1 1 1   -9   24   14 o  114.831   10.726  167.477   30.402  140.054   40.321  203.606   46.281  103.755   16.083  125.783   15.032 -22.02794 22.01419 
1 1 1   -9   24   15 o  136.524   10.477  235.964   35.446  232.625   47.198  240.283   53.682  134.767   14.240  136.540   16.050 -1.773193 21.45680 
1 1 1   -9   24   16 o  338.379   12.537  1446.11  105.934  1432.92  147.723  1460.08  151.996  334.487   17.749  337.483   18.102 -2.995026 25.35147 
1 1 1   -9   24   17 o  313.165   12.032  1237.35   94.095  1181.60  130.626  1297.48  135.658  303.900   17.284  318.570   17.115 -14.66937 24.32431 
1 1 1   -9   24   18 o  178.774   10.406  403.474   46.253  419.554   62.586  384.123   68.657  181.545   13.911  173.105   16.066 8.440323 21.25151 
1 1 1   -9   24   19 o  138.352   10.833  242.420   37.127  222.272   49.056  269.435   56.804  131.515   15.218  144.762   15.980 -13.24774 22.06698 
1 1 1   -9   24   20 o  147.435   14.283  277.761   51.928  264.634   75.872  289.329   71.224  141.634   22.180  149.047   19.612 -7.413254 29.60712 
1 1 1   -9   24   21 o  206.849   14.578  544.733   74.821  515.410  107.535  572.249  104.170  198.732   22.040  210.260   20.084 -11.52774 29.81807 
1 1 1   -9   24   22 o  512.335   24.438  3413.97  312.658  3386.17  443.493  3441.43  440.849  497.897   35.910  502.622   35.348 -4.724976 50.38927 
1 1 1   -9   24   23 f  242.644   11.392  741.775   69.027  756.683   94.119  724.423  101.540  243.661   15.549  237.845   17.212 5.816208 23.19571 
1 1 1   -9   24   24 o  366.285   13.586  1696.78  124.268  1709.18  173.019  1683.56  178.597  364.925   19.052  361.757   19.846 3.167725 27.51090 
1 1 1   -9   24   25 o  153.228   11.062  297.172   42.044  330.961   56.616  255.624   62.780  161.067   14.222  140.327   18.355 20.73946 23.22045 
1 1 1   -9   24   26 o  154.049   11.244  300.506   42.957  305.941   57.669  293.730   64.385  154.581   15.134  150.831   17.414 3.750793 23.07113 
1 1 1   -9   24   27 o  179.767   13.496  410.981   60.141  429.761  105.091  401.835   73.337  180.486   23.905  176.861   16.807 3.624298 29.22224 
1 1 1   -9   24   28 o  248.053   11.909  776.279   73.771  785.766  100.461  765.176  108.679  247.941   16.317  244.063   17.958 3.878281 24.26351 
1 1 1   -9   24   29 o  138.128   11.775  242.425   40.228  252.669   53.569  229.177   60.918  140.154   15.569  132.454   18.958 7.699997 24.53185 
1 1 1   -9   24   30 o  295.626   12.389  1104.56   91.457  1102.28  125.892  1107.11  133.087  293.182   17.272  293.378   18.256 -0.1952209 25.13175 
1 1 1   -9   24   31 o  113.018   12.579  163.528   34.898  150.448   45.838  181.562   53.823  107.036   17.773  117.449   19.000 -10.41318 26.01704 
1 1 1   -9   24   32 o  153.496   11.515  299.356   43.815  318.007   58.744  275.970   65.780  157.269   15.145  145.340   18.547 11.92894 23.94493 
1 1 1   -9   24   33 o  220.697   11.257  617.397   61.835  659.810   84.833  569.320   90.320  226.854   15.061  209.725   17.403 17.12862 23.01484 
1 1 1   -9   24   34 o   76.879   14.922   78.017   27.615   86.686   34.918   63.541   45.123   80.445   17.849   69.960   22.638 10.48485 28.82804 
1 1 1   -9   24   35 o  173.014   11.812  381.741   50.730  432.337   68.879  321.757   74.997  182.953   15.214  155.845   19.712 27.10765 24.90038 
1 1 1   -9   24   36 o  157.408   16.653  324.007   64.466  319.897  115.998  325.844   77.544  147.874   32.316  156.168   20.369 -8.294449 38.19939 
1 1 1   -9   24   37 o  212.386   16.822  590.102   88.487  575.462  150.040  597.910  109.570  199.387   31.153  211.126   21.064 -11.73932 37.60613 
1 1 1   -9   24   38 o  149.528   17.280  296.100   63.333  290.961  124.573  297.891   73.548  136.211   36.058  148.386   20.387 -12.17480 41.42234 
1 1 1   -9   24   39 o  112.382   19.624  172.411   53.068  140.983  120.364  179.994   59.125   97.935   36.592  113.930   21.572 -15.99459 42.47722 
1 1 1   -9   24   40 o  130.108   17.587  227.172   55.676  193.528  133.767  234.222   61.232  108.747   38.895  131.276   19.251 -22.52872 43.39843 
1 1 1   -9   24   41 o   74.580   21.398   78.178   41.929   53.731  129.804   81.026   44.303   81.459   35.114   75.781   22.069 5.678238 41.47359 
1 1 1   -9   24   42 o   89.365   20.906  112.925   45.825  241.836  152.711  100.168   48.039  115.725   41.540   83.551   22.516 32.17463 47.25013 
1 1 1   -9   24   43 f   60.579   21.440   47.272   40.544  157.811  153.370   38.967   42.039   98.462   39.959   57.700   21.612 40.76201 45.42953 
1 1 1   -9   24   44 o  153.611   17.335  320.360   65.334  447.535  171.890  298.884   70.635  151.988   43.232  146.589   19.803 5.398727 47.55146 
1 1 1   -9   24   45 o  102.232   21.236  150.931   52.443  101.200  175.290  155.820   54.960   88.252   39.322  103.452   21.954 -15.19988 45.03511 
1 1 1   -9   25    1 f  375.381   13.925  1799.32  130.529  1660.89  184.860  1936.96  184.331  355.203   20.933  385.690   19.139 -30.48605 28.36359 
1 1 1   -9   25    2 o  105.347   12.142  142.614   31.356  159.546   47.355  129.394   41.844  109.830   17.881   98.761   17.613 11.06917 25.09864 
1 1 1   -9   25    3 o  134.612   11.881  231.384   39.528  215.864   51.163  254.365   62.258  128.732   16.279  139.161   18.364 -10.42902 24.54083 
1 1 1   -9   25    4 o  114.991   14.053  170.813   39.514  197.943   61.105  151.314   51.803  121.706   20.856  106.270   20.260 15.43608 29.07670 
1 1 1   -9   25    5 o  222.999   10.876  628.270   60.566  578.193   84.396  681.447   86.969  211.906   16.068  230.500   15.194 -18.59364 22.11481 
1 1 1   -9   25    6 o  124.766   10.867  198.024   33.519  166.055   46.865  231.505   47.960  112.534   17.225  134.055   14.561 -21.52068 22.55498 
1 1 1   -9   25    7 o  172.997   10.272  378.685   44.179  332.682   60.735  430.377   64.381  160.785   15.312  183.415   14.166 -22.62999 20.85962 
1 1 1   -9   25    8 o  171.121   10.269  370.441   43.680  326.180   59.819  420.993   63.930  159.262   15.227  181.419   14.225 -22.15657 20.83773 
1 1 1   -9   25    9 f  253.807   10.906  812.877   69.121  793.824   95.638  833.714  100.013  249.049   15.454  255.122   15.776 -6.072632 22.08420 
1 1 1   -9   25   10 f  341.690   12.834  1478.76  109.507  1526.35  153.396  1429.30  156.381  344.420   17.897  332.693   18.901 11.72647 26.02959 
1 1 1   -9   25   11 o  161.984   16.070  337.895   64.147  332.039   82.750  346.712  101.540  158.730   21.424  160.245   26.287 -1.514694 33.91125 
1 1 1   -9   25   12 o  313.814   17.947  1266.56  140.057  1327.77  192.960  1198.41  203.609  317.383   24.537  299.411   27.541 17.97162 36.88561 
1 1 1   -9   25   13 o  156.046   10.251  307.950   39.722  289.335   53.046  331.712   59.935  150.322   14.304  160.824   15.101 -10.50247 20.79953 
1 1 1   -9   25   14 o  148.861   10.473  280.476   38.684  294.806   51.656  262.176   58.374  151.905   13.767  142.393   16.736 9.511826 21.67055 
1 1 1   -9   25   15 f  144.399   10.684  264.107   38.253  283.441   51.070  239.395   57.738  148.911   13.894  135.808   17.427 13.10338 22.28789 
1 1 1   -9   25   16 f  127.160   10.794  205.163   33.952  199.410   44.888  212.853   51.902  124.499   14.723  128.190   16.604 -3.690842 22.19125 
1 1 1   -9   25   17 o   92.578   12.674  110.277   28.531   94.790   37.071  132.780   44.686   84.531   18.107  100.321   18.519 -15.79049 25.90052 
1 1 1   -9   25   18 o  242.777   11.090  742.869   67.232  776.909   92.045  703.935   98.439  246.893   15.000  234.308   16.938 12.58493 22.62543 
1 1 1   -9   25   19 o  200.903   10.477  509.502   52.379  507.944   70.669  511.400   78.028  199.673   14.267  199.920   15.757 -0.2461853 21.25626 
1 1 1   -9   25   20 o  113.012   11.652  162.752   32.411  164.522   42.693  160.344   49.795  112.758   15.578  110.464   18.720 2.294052 24.35416 
1 1 1   -9   25   21 o  264.497   11.453  882.100   75.650  921.919  103.642  836.694  110.675  268.892   15.501  255.405   17.457 13.48698 23.34589 
1 1 1   -9   25   22 o  282.797   11.683  1008.76   82.503  1000.16  113.026  1018.57  120.707  279.829   16.245  282.012   17.223 -2.183044 23.67501 
1 1 1   -9   25   23 o  323.421   17.637  1340.15  141.902  1282.30  202.315  1396.18  199.084  311.591   26.246  326.266   24.616 -14.67532 35.98328 
1 1 1   -9   25   24 f  183.460   14.684  429.642   66.710  460.591   99.430  404.306   89.963  187.697   21.608  175.980   20.879 11.71674 30.04682 
1 1 1   -9   25   25 o  171.473   14.933  375.984   63.306  396.726   96.377  360.243   83.959  173.575   22.786  166.037   20.699 7.537933 30.78351 
1 1 1   -9   25   26 o  163.107   15.227  340.844   61.304  366.021   95.186  322.998   80.137  166.277   23.585  156.974   20.967 9.302673 31.55776 
1 1 1   -9   25   27 o  321.877   25.287  1365.36  201.618   0.0000   0.0000  1365.36  201.618  ?   ?   321.877   25.287 0.000000 25.28715 
1 1 1   -9   25   28 o  274.109   16.371  961.642  111.547  1029.84  164.274  903.296  151.949  280.032   23.714  262.301   23.445 17.73141 33.34720 
1 1 1   -9   25   29 o  112.953   13.057  163.640   36.150  163.443   45.237  163.990   60.135  111.968   16.689  110.436   22.568 1.531822 28.06790 
1 1 1   -9   25   30 o  234.438   12.378  697.470   72.210  672.597   89.728  743.190  121.649  229.058   15.783  238.707   20.610 -9.648972 25.95889 
1 1 1   -9   25   31 o  109.331   14.026  154.385   37.410  145.923   46.899  169.187   62.031  104.977   18.570  111.795   22.987 -6.817284 29.55092 
1 1 1   -9   25   32 o  307.145   13.946  1201.65  106.965  1172.36  132.391  1256.71  181.525  301.110   17.685  307.577   23.819 -6.466644 29.66666 
1 1 1   -9   25   33 o   98.057   14.093  125.064   33.518  110.423   42.107  150.388   55.378   90.603   19.207  105.244   21.789 -14.64128 29.04564 
1 1 1   -9   25   34 o  118.155   18.732  185.680   53.426  139.102   98.781  204.939   63.518   99.551   33.545  123.178   21.428 -23.62798 39.80482 
1 1 1   -9   25   35 o  228.813   16.688  681.548   94.693  694.022  153.089  673.818  120.514  222.924   28.126  224.346   21.786 -1.421921 35.57697 
1 1 1   -9   25   36 o  288.033   18.035  1089.79  129.069  1061.72  198.359  1110.40  169.973  273.368   29.526  285.354   24.078 -11.98590 38.09915 
1 1 1   -9   25   37 o  131.402   17.731  230.085   56.696  285.939  111.612  210.660   65.821  137.321   32.966  123.547   22.148 13.77425 39.71482 
1 1 1   -9   25   38 o   96.140   20.903  128.428   48.752   97.131  107.167  136.595   54.745   87.173   34.038   98.436   22.730 -11.26283 40.92953 
1 1 1   -9   25   39 o  141.645   12.235  259.452   42.851  267.311   57.729  249.810   63.947  141.791   16.619  135.532   19.452 6.258698 25.58477 
1 1 1   -9   25   40 o  126.841   17.797  217.118   54.819  219.327  135.519  216.686   59.941  113.488   39.266  125.670   19.752 -12.18252 43.95425 
1 1 1   -9   25   41 o  121.076   17.969  199.057   52.680  225.621  135.570  194.333   57.172  113.908   39.281  118.494   20.036 -4.586128 44.09599 
1 1 1   -9   25   42 o  170.568   16.621  389.376   69.896  508.401  161.471  361.931   77.536  172.768   38.420  162.398   19.510 10.36934 43.09013 
1 1 1   -9   25   43 o   52.799   20.702   27.871   39.768   49.689  146.458   26.134   41.321   81.007   36.028   52.751   20.968 28.25676 41.68568 
1 1 1   -9   25   44 o   72.488   22.719   76.225   45.745   23.270  160.976   80.877   47.712   78.759   36.113   74.386   23.184 4.372589 42.91488 
1 1 1   -9   25   45 o   89.953   22.695  120.553   50.976  413.468  191.592   98.238   52.882  132.943   46.649   80.532   24.280 52.41113 52.58955 
1 1 1   -9   26    1 o  317.403   18.538  1320.65  146.296   0.0000   0.0000  1320.65  146.296  ?   ?   317.403   18.538 0.000000 18.53793 
1 1 1   -9   26    2 o   61.674   21.776   45.636   41.798   45.636   41.798   0.0000   0.0000   61.674   21.776  ?   ?  0.000000 21.77567 
1 1 1   -9   26    3 o  191.252   10.464  464.112   49.787  463.097   70.964  465.096   69.868  189.411   15.129  189.936   14.849 -0.5248260 21.19861 
1 1 1   -9   26    4 o   88.330   13.892  101.837   29.630   59.292   43.340  139.171   40.600   67.803   22.202  102.838   16.357 -35.03544 27.57668 
1 1 1   -9   26    5 o  134.231   10.875  229.373   36.140  221.755   51.138  236.974   51.081  130.518   16.027  135.181   15.407 -4.663788 22.23140 
1 1 1   -9   26    6 o   68.120   17.755   62.090   30.510   58.147   49.871   64.448   38.569   68.737   23.818   69.622   20.679 -0.8842163 31.54199 
1 1 1   -9   26    7 o   85.472   16.234   96.591   33.383  113.469   51.168   84.083   44.048   91.208   22.585   78.861   21.690 12.34728 31.31328 
1 1 1   -9   26    8 o   76.005   14.894   76.151   27.258   59.174   37.888   94.366   39.245   67.179   20.615   83.816   19.167 -16.63675 28.14859 
1 1 1   -9   26    9 o   95.598   12.815  117.906   29.822   88.679   40.478  152.603   44.104   81.130   20.086  107.855   16.933 -26.72503 26.27132 
1 1 1   -9   26   10 o  191.321   10.582  463.294   50.359  475.517   68.700  449.098   74.035  192.751   14.376  186.733   16.032 6.017502 21.53398 
1 1 1   -9   26   11 o  176.487   10.493  394.250   46.034  413.756   62.852  371.677   67.613  179.850   14.108  169.768   16.143 10.08228 21.43874 
1 1 1   -9   26   12 f  188.562   10.677  449.958   50.069  487.677   68.266  406.047   73.657  195.388   14.086  177.317   16.837 18.07159 21.95173 
1 1 1   -9   26   13 o  214.901   12.639  586.804   67.526  592.084   78.306  571.490  133.362  215.231   14.656  206.188   26.516 9.042923 30.29663 
1 1 1   -9   26   14 f  151.336   17.261  296.908   64.063  389.209   80.792  140.576  105.144  172.885   19.029  102.377   34.608 70.50847 39.49459 
1 1 1   -9   26   15 o  219.782   12.904  613.806   70.513  722.191  117.749  553.208   88.045  235.605   20.209  207.212   17.170 28.39333 26.51812 
1 1 1   -9   26   16 o  123.259   11.181  193.232   34.039  185.926   44.765  203.247   52.411  119.931   15.295  124.925   17.262 -4.994209 23.06331 
1 1 1   -9   26   17 o  180.561   10.597  412.280   47.571  431.795   63.789  387.829   71.403  183.952   13.991  173.482   16.688 10.47012 21.77724 
1 1 1   -9   26   18 o  187.574   10.817  445.001   50.450  461.893   67.548  423.691   75.870  190.209   14.326  181.324   16.953 8.884979 22.19518 
1 1 1   -9   26   19 o  101.982   12.620  133.478   31.453  123.020   40.814  148.772   49.357   96.648   17.557  106.017   19.357 -9.368866 26.13316 
1 1 1   -9   26   20 o  226.972   11.032  649.633   62.530  688.164   84.880  603.902   92.470  232.279   14.709  216.674   17.232 15.60495 22.65654 
1 1 1   -9   26   21 o  204.256   10.794  527.279   54.859  498.582   73.308  563.807   82.706  197.498   14.975  209.784   15.906 -12.28575 21.84624 
1 1 1   -9   26   22 o  161.488   10.988  330.279   44.047  342.366   58.367  314.291   67.131  163.609   14.434  155.808   17.560 7.801300 22.73079 
1 1 1   -9   26   23 o  208.916   10.774  551.522   56.018  564.219   75.126  535.621   84.069  210.345   14.389  204.204   16.631 6.141617 21.99131 
1 1 1   -9   26   24 o   56.195   17.442   40.341   27.035   33.087   34.510   51.867   43.500   54.798   19.739   65.297   22.259 -10.49889 29.75080 
1 1 1   -9   26   25 o  187.703   10.850  445.646   50.638  408.711   66.894  495.218   77.498  178.630   15.139  196.489   15.931 -17.85922 21.97694 
1 1 1   -9   26   26 o  114.775   14.185  169.681   39.791  111.238   56.734  226.260   55.822   90.556   24.496  131.892   17.371 -41.33681 30.03063 
1 1 1   -9   26   27 o  274.602   16.709  967.754  114.034  967.754  114.034   0.0000   0.0000  274.602   16.709  ?   ?  0.000000 16.70906 
1 1 1   -9   26   28 o  279.161   16.478  1000.25  114.360  1069.71  167.748  939.934  156.315  284.607   23.822  266.746   23.714 17.86121 33.61298 
1 1 1   -9   26   29 o  218.488   15.754  613.101   85.380  627.758  129.816  601.927  113.343  217.021   24.375  213.952   21.506 3.068481 32.50618 
1 1 1   -9   26   30 o  186.459   15.626  447.772   72.088  457.593  112.428  440.916   93.940  184.261   25.086  182.839   20.953 1.421555 32.68515 
1 1 1   -9   26   31 o  110.898   18.914  163.479   50.501  134.388   88.593  177.481   61.465   98.386   31.709  114.438   22.310 -16.05212 38.77072 
1 1 1   -9   26   32 o  116.598   18.815  180.715   52.919   99.720   92.993  219.506   64.355   88.740   32.336  127.937   20.863 -39.19638 38.48229 
1 1 1   -9   26   33 f  273.881   17.169  975.364  116.834  1026.69  178.690  937.036  154.411  273.772   26.468  263.770   23.695 10.00214 35.52458 
1 1 1   -9   26   34 o  162.280   16.893  345.127   67.455  253.333  113.502  395.252   83.874  129.650   34.465  172.288   19.859 -42.63736 39.77677 
1 1 1   -9   26   35 o  158.101   16.507  328.121   64.210  396.729  113.008  295.412   78.029  166.962   28.103  147.281   21.881 19.68068 35.61628 
1 1 1   -9   26   36 o  115.382   18.940  179.887   52.677  324.416  104.337  130.444   61.026  149.316   29.028   95.511   25.215 53.80507 38.45029 
1 1 1   -9   26   37 o  268.500   17.713  954.649  118.094  935.030  182.994  968.652  154.596  253.554   29.450  264.721   23.635 -11.16753 37.76085 
1 1 1   -9   26   38 o  136.866   12.785  243.201   43.189  313.403   57.985  155.724   64.727  154.333   15.245  103.603   25.249 50.73008 29.49441 
1 1 1   -9   26   39 o   57.139   16.406   44.169   24.639   50.171   29.856   31.354   43.630   60.768   18.226   55.855   21.743 4.913418 28.37207 
1 1 1   -9   26   40 o  122.147   12.872  194.876   38.672  212.897   50.817  170.077   59.610  126.001   16.551  109.259   22.594 16.74159 28.00724 
1 1 1   -9   26   41 o  199.231   15.919  527.298   78.540  576.977  159.194  511.316   90.295  188.881   35.041  193.842   18.894 -4.960999 39.81047 
1 1 1   -9   26   42 o  193.197   16.222  499.159   77.539  714.639  170.615  443.069   87.048  211.108   33.481  179.115   19.792 31.99327 38.89389 
1 1 1   -9   26   43 o   74.165   22.953   80.063   46.859   66.737  152.435   81.453   49.243   82.941   36.828   74.683   23.595 8.257881 43.73855 
1 1 1   -9   26   44 o   77.409   22.909   88.927   47.403  111.191  162.844   86.865   49.549   87.990   38.607   76.395   23.596 11.59566 45.24682 
1 1 1   -9   27    1 o  143.848   17.696  275.242   62.228  275.242   62.228   0.0000   0.0000  143.848   17.696  ?   ?  0.000000 17.69633 
1 1 1   -9   27    2 o  139.914   18.553  261.104   63.223  165.627   80.624  413.572  101.883  106.364   29.382  173.094   24.235 -66.73055 38.08683 
1 1 1   -9   27    3 o  125.009   12.108  200.982   37.324  149.887   55.476  243.236   50.449  104.298   21.993  136.620   15.036 -32.32195 26.64128 
1 1 1   -9   27    4 o  113.469   12.004  165.613   33.496  124.185   49.672  200.165   45.362   95.114   21.427  123.932   14.960 -28.81791 26.13304 
1 1 1   -9   27    5 o  146.557   11.305  274.128   41.055  273.750   58.779  274.489   57.368  144.696   16.566  145.067   16.108 -0.3709259 23.10644 
1 1 1   -9   27    6 o   63.428   16.482   53.807   26.344   81.790   40.154   32.660   34.907   77.567   20.442   54.339   19.810 23.22755 28.46614 
1 1 1   -9   27    7 o  109.921   12.045  155.168   32.521  144.299   45.993  166.035   45.989  104.090   18.365  112.318   16.922 -8.227509 24.97277 
1 1 1   -9   27    8 o  215.991   14.328  598.469   76.843  636.171  112.363  565.343  105.324  219.602   20.735  206.964   20.655 12.63808 29.26724 
1 1 1   -9   27    9 o  135.129   14.431  235.641   47.944  189.342   70.667  275.126   65.260  117.301   24.895  144.721   18.480 -27.42010 31.00442 
1 1 1   -9   27   10 o  236.968   10.907  710.009   64.540  755.751   89.030  659.347   93.695  242.812   14.753  225.895   16.728 16.91756 22.30445 
1 1 1   -9   27   11 o  238.573   11.098  719.731   66.120  730.737   91.558  707.735   95.589  238.524   15.455  234.296   16.442 4.227890 22.56503 
1 1 1   -9   27   12 o  122.415   11.584  191.262   34.990  231.421   47.501  143.617   51.738  134.017   14.420  103.362   20.765 30.65517 25.28148 
1 1 1   -9   27   13 o  159.996   10.922  324.836   43.377  297.108   58.375  359.021   64.818  151.693   15.634  166.855   15.742 -15.16164 22.18686 
1 1 1   -9   27   14 o  142.254   11.272  257.309   39.712  270.290   52.721  240.285   60.378  144.905   14.777  135.438   18.322 9.467239 23.53840 
1 1 1   -9   27   15 o  259.609   11.409  851.921   73.962  847.560  101.385  856.883  108.137  257.026   15.874  257.994   16.878 -0.9678650 23.16964 
1 1 1   -9   27   16 o  180.992   17.258  423.856   77.058  526.584   98.153  258.824  124.407  200.839   19.830  133.544   36.337 67.29497 41.39555 
1 1 1   -9   27   17 o  301.251   18.984  1174.89  142.085  1393.91  191.672  907.712  211.695  325.025   23.780  254.779   34.131 70.24649 41.59850 
1 1 1   -9   27   18 o  276.678   12.038  968.426   83.171  1081.56  114.352  841.351  121.189  290.622   15.816  254.694   19.195 35.92824 24.87202 
1 1 1   -9   27   19 o  178.493   10.914  403.529   48.415  384.411   64.177  428.780   73.757  173.107   14.994  182.443   16.363 -9.335693 22.19419 
1 1 1   -9   27   20 o  124.003   11.831  196.098   36.190  179.392   47.087  220.210   56.567  117.373   16.522  129.830   17.926 -12.45763 24.37888 
1 1 1   -9   27   21 o  240.384   11.313  729.762   67.912  759.185   91.951  694.450  100.733  243.635   15.189  232.065   17.511 11.57013 23.18102 
1 1 1   -9   27   22 o  219.348   11.177  608.998   61.017  627.573   82.038  586.002   91.282  221.519   14.917  213.151   17.299 8.368607 22.84214 
1 1 1   -9   27   23 o   79.521   15.703   83.377   30.076   77.385   38.484   92.780   48.208   75.990   20.006   82.918   22.644 -6.928329 30.21532 
1 1 1   -9   27   24 o  158.313   10.923  317.810   42.918  299.560   56.106  343.549   66.631  152.663   14.907  163.052   16.596 -10.38863 22.30817 
1 1 1   -9   27   25 o  151.603   14.004  294.571   52.417  293.237   86.740  295.339   65.787  147.567   24.391  150.617   17.838 -3.049683 30.21725 
1 1 1   -9   27   26 o  313.614   14.213  1251.93  111.313  1130.41  127.238  1648.28  229.792  296.202   17.277  350.941   26.415 -54.73898 31.56314 
1 1 1   -9   27   27 o  317.876   12.853  1282.47  102.030  1265.35  138.727  1302.65  150.585  312.952   17.825  316.746   19.128 -3.793976 26.14588 
1 1 1   -9   27   28 o  344.113   13.137  1505.26  112.890  1543.49  155.237  1462.35  164.465  345.311   18.065  334.934   19.751 10.37741 26.76677 
1 1 1   -9   27   29 o  412.566   14.497  2174.90  149.354  2127.30  206.753  2226.84  215.988  402.899   20.619  411.807   21.074 -8.907806 29.48274 
1 1 1   -9   27   30 o  208.288   11.072  551.029   57.383  532.089   76.344  575.624   86.999  203.171   15.157  210.681   16.672 -7.509857 22.53205 
1 1 1   -9   27   31 o  142.053   11.766  258.028   41.362  239.099   53.926  285.078   64.465  135.253   16.294  147.195   17.907 -11.94261 24.21075 
1 1 1   -9   27   32 o  252.168   11.447  808.140   72.082  775.164   96.824  849.140  107.963  244.498   15.946  255.283   17.034 -10.78506 23.33239 
1 1 1   -9   27   33 o  189.427   11.430  458.193   53.815  460.717   71.286  454.849   82.060  188.323   15.290  185.794   17.908 2.528549 23.54795 
1 1 1   -9   27   34 o  119.104   11.850  182.740   34.776  154.404   44.232  228.607   56.275  107.613   17.026  131.106   17.636 -23.49265 24.51362 
1 1 1   -9   27   35 o  266.691   12.128  910.647   80.771  951.620  109.824  862.374  119.206  269.445   16.400  254.497   18.892 14.94815 25.01733 
1 1 1   -9   27   36 o  106.467   13.203  148.111   34.348  151.078   43.918  143.436   55.121  105.991   17.181  100.873   22.459 5.117561 28.27727 
1 1 1   -9   27   37 f  282.044   12.762  1025.49   89.884  1100.18  123.229  940.576  131.395  288.030   17.211  263.449   20.125 24.58145 26.48085 
1 1 1   -9   27   38 o  136.020   12.865  240.959   43.180  263.139   56.855  210.729   66.377  140.380   16.536  122.091   22.604 18.28883 28.00627 
1 1 1   -9   27   39 o  261.256   12.862  883.454   83.910  963.690  115.107  792.462  122.579  268.658   17.249  240.216   20.635 28.44191 26.89444 
1 1 1   -9   27   40 o  103.409   12.818  140.473   32.392  131.271   40.220  157.458   54.643   98.126   17.031  105.288   21.510 -7.161690 27.43606 
1 1 1   -9   27   41 o  112.334   13.036  166.098   35.888  161.197   45.851  173.848   57.663  108.496   17.520  110.321   21.704 -1.824921 27.89320 
1 1 1   -9   27   42 o   72.747   22.678   76.584   45.649  149.172  135.271   67.255   48.493   94.304   37.787   69.068   23.503 25.23595 44.50003 
1 1 1   -9   27   43 o   49.395   20.561   16.102   41.978  -7.3921  137.969   18.498   44.067   71.154   32.916   50.921   21.121 20.23291 39.10907 
1 1 1   -9   27   44 o   75.611   23.408   85.888   48.730   17.227  152.299   93.719   51.434   74.860   34.614   78.553   24.004 -3.692520 42.12247 
1 1 1   -9   28    1 o   71.182   15.607   68.884   26.977   90.555   48.917   59.412   32.339   79.487   23.202   65.582   18.785 13.90553 29.85287 
1 1 1   -9   28    2 o  182.454   11.141  427.237   50.518  435.539   74.501  420.171   68.734  181.264   16.645  178.664   15.561 2.599884 22.78597 
1 1 1   -9   28    3 o   86.037   14.629   98.329   30.305   53.853   48.586  126.650   38.771   65.573   23.442   97.175   16.571 -31.60267 28.70820 
1 1 1   -9   28    4 o   90.398   23.069  115.074   52.250  130.733   65.270   87.134   87.185   95.236   26.484   82.639   31.091 12.59715 40.84131 
1 1 1   -9   28    5 o  178.924   11.037  408.761   49.072  397.562   70.715  419.163   68.153  174.127   16.458  179.369   15.364 -5.242737 22.51467 
1 1 1   -9   28    6 o  270.394   11.606  930.916   78.369  988.541  110.928  873.491  110.735  275.711   16.182  258.410   17.260 17.30048 23.65931 
1 1 1   -9   28    7 o  172.579   10.964  379.524   47.003  304.824   65.754  457.584   67.216  152.113   17.638  188.237   14.409 -36.12425 22.77497 
1 1 1   -9   28    8 o   67.580   16.400   61.310   27.396   79.198   41.733   47.764   36.316   76.192   21.173   61.264   20.336 14.92848 29.35705 
1 1 1   -9   28    9 o   83.562   15.017   92.175   30.183   93.131   42.799   91.230   42.573   82.576   20.774   81.731   20.805 0.8456726 29.40072 
1 1 1   -9   28   10 o  145.574   14.400  273.725   51.663  283.855   77.406  265.588   69.375  145.186   22.043  141.133   20.266 4.052200 29.94338 
1 1 1   -9   28   11 o   54.728   19.247   35.169   32.622  -9.2008   49.840   68.426   43.150   48.286   21.268   71.667   22.001 -23.38102 30.59969 
1 1 1   -9   28   12 o   99.748   13.173  128.752   32.010  131.326   43.287  125.645   47.552   99.313   18.122   96.398   20.390 2.915054 27.27953 
1 1 1   -9   28   13 o  178.951   10.789  406.447   47.988  406.282   65.057  406.644   71.072  177.657   14.799  177.198   16.242 0.4590454 21.97312 
1 1 1   -9   28   14 o   97.380   13.572  122.948   32.107  139.253   42.925  102.239   48.375  102.654   17.364   86.569   22.255 16.08533 28.22726 
1 1 1   -9   28   15 o  214.194   11.419  582.402   60.856  646.633   82.468  505.608   90.174  224.507   14.793  196.863   18.562 27.64447 23.73549 
1 1 1   -9   28   16 o  248.066   11.528  779.073   71.410  820.275   97.636  731.682  104.713  252.680   15.549  237.561   17.780 15.11829 23.62004 
1 1 1   -9   28   17 o  234.296   11.399  694.639   66.691  734.498   90.517  647.309   98.637  239.232   15.231  223.399   17.830 15.83293 23.44943 
1 1 1   -9   28   18 o  182.921   12.965  426.992   58.841  411.686   65.639  489.611  132.767  179.006   14.817  188.346   29.171 -9.339752 32.71877 
1 1 1   -9   28   19 o  224.738   17.226  653.112   95.938  671.852  120.958  621.326  157.528  225.713   21.728  211.590   30.711 14.12254 37.61988 
1 1 1   -9   28   20 o  281.895   14.356  1015.41  100.720  1130.48  166.045  948.418  126.689  292.442   22.921  270.160   18.898 22.28210 29.70656 
1 1 1   -9   28   21 o   66.433   17.216   58.856   28.795   35.129   36.700   96.852   46.443   56.210   20.340   84.479   21.851 -28.26899 29.85237 
1 1 1   -9   28   22 o  127.163   11.889  206.530   37.315  215.060   48.119  193.663   59.099  128.883   15.246  120.558   20.356 8.325027 25.43227 
1 1 1   -9   28   23 o  132.985   11.786  225.668   38.733  230.568   50.025  218.334   61.205  133.477   15.284  128.368   19.724 5.108917 24.95261 
1 1 1   -9   28   24 o  157.171   14.216  317.418   55.193  323.593   88.375  313.470   70.671  155.055   23.566  154.626   18.681 0.4281158 30.07219 
1 1 1   -9   28   25 o  105.564   13.605  144.120   35.029  160.763   44.960  118.412   55.877  110.654   16.799   92.816   23.948 17.83821 29.25265 
1 1 1   -9   28   26 o  120.267   12.681  185.782   37.512  191.601   47.972  176.624   60.180  121.102   16.275  114.242   21.892 6.859589 27.27869 
1 1 1   -9   28   27 o  335.118   12.980  1430.01  108.622  1388.26  148.035  1478.72  159.878  326.677   18.219  336.515   19.104 -9.837799 26.39895 
1 1 1   -9   28   28 o  211.775   11.142  570.065   58.719  556.265   77.425  588.749   90.087  207.695   15.030  212.723   17.103 -5.028671 22.76881 
1 1 1   -9   28   29 o  175.545   11.580  393.102   50.480  372.214   65.954  422.645   78.435  169.265   15.786  179.577   17.722 -10.31154 23.73296 
1 1 1   -9   28   30 o  194.574   11.478  482.899   55.525  478.908   73.018  488.371   85.501  192.189   15.342  192.791   17.966 -0.6012726 23.62567 
1 1 1   -9   28   31 o  136.008   11.858  237.423   39.871  234.954   51.585  241.086   62.841  133.944   15.721  134.175   19.311 -0.2314453 24.90151 
1 1 1   -9   28   32 f  160.718   11.702  331.105   46.643  330.576   60.935  331.854   72.483  159.040   15.542  157.782   18.764 1.257614 24.36456 
1 1 1   -9   28   33 o  225.524   11.437  650.686   64.199  667.742   85.462  628.594   97.262  226.409   15.204  217.817   18.044 8.591919 23.59527 
1 1 1   -9   28   34 o   78.113   15.451   81.960   29.072   67.434   36.280  108.019   48.593   69.962   19.848   87.540   22.197 -17.57810 29.77699 
1 1 1   -9   28   35 o   87.607   14.344  101.926   30.295   95.741   37.804  113.028   50.647   83.333   18.634   89.127   22.695 -5.794113 29.36479 
1 1 1   -9   28   36 o   72.372   15.799   71.159   27.751   65.427   33.892   82.822   48.342   68.709   19.076   76.434   23.253 -7.724762 30.07667 
1 1 1   -9   28   37 o  109.785   12.579  157.482   33.863  125.990   42.269  213.910   56.580   95.678   18.359  125.156   18.675 -29.47781 26.18794 
1 1 1   -9   28   38 o  165.843   12.229  356.855   50.290  382.218   66.492  322.952   76.875  169.525   15.892  152.549   20.716 16.97627 26.10953 
1 1 1   -9   28   39 o  214.632   11.986  596.598   63.984  654.868   86.244  525.264   95.424  222.147   15.647  195.397   19.831 26.74931 25.26045 
1 1 1   -9   28   40 o   83.050   15.646   93.916   31.258  117.327   38.721   50.114   52.964   92.225   17.452   63.886   24.187 28.33950 29.82632 
1 1 1   -9   28   41 f  122.367   12.522  196.613   37.725  193.645   47.695  201.574   61.659  119.396   16.432  118.559   21.623 0.8363647 27.15810 
1 1 1   -9   28   42 o   73.217   23.360   78.822   48.177  141.210  133.562   69.491   51.654   91.350   37.207   69.712   24.235 21.63839 44.40414 
1 1 1   -9   28   43 o  125.683   20.593  226.827   62.394  161.888  160.899  238.320   67.691   93.264   39.621  127.744   22.015 -34.48043 45.32618 
1 1 1   -9   29    1 o  130.182   11.982  221.665   38.515  268.403   63.838  194.917   48.294  139.001   18.880  119.558   16.626 19.44296 25.15679 
1 1 1   -9   29    2 f   70.142   15.676   67.515   26.767  101.561   50.414   54.149   31.587   83.144   23.330   62.454   18.751 20.68962 29.93162 
1 1 1   -9   29    3 o   56.494   16.677   43.350   25.147   34.759   45.835   47.050   30.078   57.351   22.297   58.903   18.416 -1.551498 28.91901 
1 1 1   -9   29    4 o   72.722   15.691   71.876   27.659   72.697   46.658   71.431   34.344   72.083   22.988   71.638   18.918 0.4450836 29.77157 
1 1 1   -9   29    5 o  159.119   14.716  332.103   57.810  385.403   67.422  184.130  112.340  170.778   15.996  107.000   35.775 63.77870 39.18812 
1 1 1   -9   29    6 o  132.935   19.896  240.687   64.017  214.557   80.855  284.585  104.800  121.087   27.382  137.066   31.305 -15.97850 41.59045 
1 1 1   -9   29    7 o  106.853   12.551  148.252   32.852  134.227   48.847  159.834   44.391   98.620   20.503  109.442   16.778 -10.82295 26.49302 
1 1 1   -9   29    8 o   91.680   13.679  110.262   30.359  171.933   46.548   64.610   40.049  113.674   16.913   69.032   21.196 44.64264 27.11697 
1 1 1   -9   29    9 o  120.943   12.184  188.553   36.297  230.727   52.257  149.238   50.454  132.452   16.132  104.661   20.034 27.79124 25.72201 
1 1 1   -9   29   10 o  149.902   11.334  287.391   42.114  327.675   58.945  245.387   60.190  158.737   15.050  135.899   18.193 22.83731 23.61102 
1 1 1   -9   29   11 o  119.336   12.222  183.322   35.908  193.315   49.618  172.333   52.030  121.001   16.881  113.298   19.067 7.702934 25.46593 
1 1 1   -9   29   12 o   62.921   17.517   53.062   28.538   6.0968   39.702  103.266   41.048   46.896   19.789   87.188   19.358 -40.29243 27.68240 
1 1 1   -9   29   13 o   64.054   19.719   54.235   34.637   69.424   53.736   43.439   45.304   73.151   24.741   61.727   22.558 11.42370 33.48136 
1 1 1   -9   29   14 o  124.325   12.225  198.462   37.463  222.443   50.191  168.295   56.294  130.578   15.708  111.430   21.001 19.14824 26.22530 
1 1 1   -9   29   15 o  199.884   11.371  508.496   56.526  528.173   75.825  483.883   84.806  202.279   15.120  192.327   17.862 9.952209 23.40219 
1 1 1   -9   29   16 o  241.819   11.598  742.209   70.034  790.219   95.380  686.043  103.164  247.494   15.511  229.163   18.176 18.33134 23.89514 
1 1 1   -9   29   17 o   55.220   18.031   38.502   28.594   29.390   36.891   52.213   45.254   53.739   20.223   65.224   22.684 -11.48423 30.38923 
1 1 1   -9   29   18 o  173.322   11.185  382.215   48.154  432.627   63.971  316.303   73.148  183.477   14.069  154.688   19.360 28.78902 23.93254 
1 1 1   -9   29   19 o   89.641   14.661  105.353   31.684   98.972   40.813  115.032   50.265   85.521   19.539   91.606   22.205 -6.084946 29.57701 
1 1 1   -9   29   20 o  102.592   13.385  136.326   33.473  141.466   42.379  127.800   54.579  103.463   16.993   96.386   22.997 7.076118 28.59372 
1 1 1   -9   29   21 o   49.479   20.623   9.8896   42.306   17.755   45.539 -39.6752  114.313   53.324   21.723   68.030   30.901 -14.70561 37.77280 
1 1 1   -9   29   22 o   49.263   20.562   9.4768   42.143  -8.4639   45.321  124.071  114.542   46.110   20.296   97.254   35.820 -51.14312 41.16999 
1 1 1   -9   29   23 o  128.311   14.337  213.157   45.154  130.991   66.942  281.747   61.162   96.612   26.805  146.755   17.004 -50.14252 31.74350 
1 1 1   -9   29   24 o   61.407   19.273   49.194   32.908   47.885   46.562   50.501   46.514   63.802   22.934   64.776   22.961 -0.9737892 32.45249 
1 1 1   -9   29   25 o   54.610   18.097   37.383   28.766   39.893   34.835   32.003   51.004   57.389   19.905   59.690   23.432 -2.300804 30.74488 
1 1 1   -9   29   26 o  274.260   11.837  956.897   81.071  935.723  108.086  984.131  122.580  268.619   16.189  274.317   17.994 -5.697937 24.20461 
1 1 1   -9   29   27 f  173.642   11.421  384.914   49.246  384.640   63.924  385.313   77.241  172.223   15.014  170.818   18.398 1.405365 23.74636 
1 1 1   -9   29   28 o  184.542   11.455  434.963   52.529  492.908   68.648  353.109   81.591  195.365   14.168  162.142   20.617 33.22374 25.01580 
1 1 1   -9   29   29 o   64.232   17.463   55.735   28.747   67.573   35.904   34.595   47.980   70.390   19.667   59.116   22.860 11.27460 30.15575 
1 1 1   -9   29   30 o  167.988   11.610  361.681   48.404  361.374   62.789  362.131   75.993  166.368   15.284  164.742   18.809 1.625580 24.23645 
1 1 1   -9   29   31 o   70.014   16.321   66.396   28.009   65.179   34.036   68.949   49.295   68.982   19.104   71.554   23.690 -2.571999 30.43287 
1 1 1   -9   29   32 o   78.731   15.554   83.329   29.496   73.113   36.612  102.223   49.791   72.704   19.683   84.943   22.936 -12.23823 30.22400 
1 1 1   -9   29   33 o  108.312   13.127  153.373   34.779  146.614   43.998  164.629   56.782  104.094   17.550  108.402   21.733 -4.307587 27.93430 
1 1 1   -9   29   34 o  103.236   13.173  139.813   33.187   81.890   41.398  243.986   55.517   76.248   21.050  135.026   16.830 -58.77821 26.95135 
1 1 1   -9   29   35 o  174.349   11.714  392.517   50.704  448.874   66.382  313.595   78.557  184.917   14.492  149.956   21.602 34.96152 26.01213 
1 1 1   -9   29   36 o  103.255   13.532  140.727   34.051  126.780   42.579  165.472   56.716   95.783   18.471  107.925   21.795 -12.14236 28.56894 
1 1 1   -9   29   37 o  108.813   13.437  156.186   35.737  155.576   44.919  157.239   58.986  106.726   17.458  104.075   23.279 2.651230 29.09805 
1 1 1   -9   29   38 o  134.158   12.667  235.477   41.933  245.559   53.666  219.673   67.194  135.114   16.230  123.746   22.576 11.36850 27.80490 
1 1 1   -9   29   39 o  139.850   12.475  255.864   43.110  262.714   55.211  245.163   69.003  139.656   16.128  131.060   21.853 8.595871 27.16025 
1 1 1   -9   29   40 o  112.113   13.188  166.381   36.216  161.837   44.974  174.763   61.082  108.505   17.170  109.019   23.152 -0.5142059 28.82373 
1 1 1   -9   29   41 o   82.543   15.469   93.439   30.714   87.521   36.506  107.778   56.822   78.300   18.889   83.915   25.139 -5.614868 31.44449 
1 1 1   -9   29   42 o  146.127   12.874  282.415   46.498  284.168   59.992  279.776   73.587  143.657   17.056  138.480   22.017 5.176819 27.85050 
1 1 1   -9   30    1 o   37.583   15.035   11.627   21.377   7.5330   51.132   12.494   23.532   49.846   21.758   39.141   15.733 10.70494 26.85032 
1 1 1   -9   30    2 o  121.343   15.243  200.203   45.170  378.979  104.224  158.857   50.122  154.502   28.047  105.026   19.838 49.47642 34.35344 
1 1 1   -9   30    3 o   75.865   15.520   79.378   28.412   98.395   52.701   71.587   33.734   80.570   24.227   70.758   18.780 9.812912 30.65335 
1 1 1   -9   30    4 o   66.211   16.558   61.030   27.305   67.464   48.744   58.088   32.962   68.982   23.563   64.224   19.126 4.757500 30.34794 
1 1 1   -9   30    5 o  237.675   11.450  728.985   67.960  819.740   97.988  644.867   94.336  247.911   15.912  218.383   17.444 29.52850 23.61126 
1 1 1   -9   30    6 o   84.036   15.329   95.513   30.983   73.856   50.407  108.662   39.278   72.308   23.956   88.444   18.384 -16.13657 30.19707 
1 1 1   -9   30    7 o   78.623   16.132   84.190   30.611  150.957   48.902   41.173   39.253  104.334   19.486   58.013   21.029 46.32083 28.66901 
1 1 1   -9   30    8 o  105.684   23.217  159.722   59.598  181.499   72.186  113.095  105.625  110.918   26.436   89.101   34.056 21.81735 43.11198 
1 1 1   -9   30    9 o  161.408   11.069  334.534   44.347  370.677   63.352  299.806   62.099  167.910   15.276  150.053   16.865 17.85783 22.75479 
1 1 1   -9   30   10 o  154.193   11.560  305.784   44.187  298.792   61.872  313.063   63.125  150.029   16.803  153.647   16.722 -3.617767 23.70621 
1 1 1   -9   30   11 o   90.409   14.762  108.385   32.178   94.338   45.894  121.967   45.129   82.022   21.967   94.098   19.831 -12.07574 29.59399 
1 1 1   -9   30   12 o  248.121   11.420  785.654   70.756  863.542   98.214  701.607  102.022  257.500   15.343  230.316   17.879 27.18387 23.55982 
1 1 1   -9   30   13 o  157.600   11.463  318.322   44.803  363.599   61.480  267.045   65.426  167.064   14.893  141.087   19.058 25.97649 24.18677 
1 1 1   -9   30   14 o   67.203   17.105   61.182   28.778   51.597   39.485   72.042   42.029   63.247   21.209   72.557   21.594 -9.310223 30.26784 
1 1 1   -9   30   15 o   76.561   19.423   80.277   37.191   85.495   56.216   76.215   49.597   78.912   25.240   74.838   23.684 4.074104 34.61187 
1 1 1   -9   30   16 o  126.504   12.350  206.189   38.517  216.382   51.286  193.002   58.333  128.169   16.400  119.325   20.304 8.843758 26.09988 
1 1 1   -9   30   17 o   85.033   15.113   95.830   30.916   67.153   39.954  138.621   48.806   70.399   21.078  100.873   20.081 -30.47431 29.11236 
1 1 1   -9   30   18 o   74.241   16.707   74.247   30.226   52.984   38.886  106.701   48.042   63.906   21.035   87.755   21.972 -23.84964 30.41790 
1 1 1   -9   30   19 o  169.938   11.510  369.107   48.556  427.262   64.178  291.249   74.258  181.811   14.250  147.000   20.810 34.81117 25.22155 
1 1 1   -9   30   20 o  153.729   11.370  302.163   43.338  325.837   56.758  269.062   67.113  158.538   14.497  141.849   19.459 16.68942 24.26567 
1 1 1   -9   30   21 o  212.609   11.505  576.889   60.854  644.930   80.905  488.242   92.346  223.395   14.583  191.627   19.573 31.76797 24.40800 
1 1 1   -9   30   22 o  253.150   11.906  816.916   75.265  899.423  101.307  715.273  112.443  263.369   15.472  232.177   19.576 31.19159 24.95207 
1 1 1   -9   30   23 o   50.633   20.895   14.055   42.817   10.100   45.845   41.070  119.809   50.862   21.353   80.200   34.133 -29.33885 40.26180 
1 1 1   -9   30   24 o   79.723   24.122   88.070   52.127   88.070   52.127   0.0000   0.0000   79.723   24.122  ?   ?  0.000000 24.12219 
1 1 1   -9   30   25 o  141.312   18.409  266.223   63.418  252.642   70.983  319.948  141.178  136.027   21.620  141.348   38.812 -5.321030 44.42757 
1 1 1   -9   30   26 o  235.297   13.445  713.657   78.675  642.934  121.323  764.979  103.351  217.129   22.712  241.222   17.271 -24.09273 28.53288 
1 1 1   -9   30   27 o  224.484   11.291  644.215   63.095  623.402   82.611  673.354   97.747  218.756   15.217  225.929   17.461 -7.173279 23.16137 
1 1 1   -9   30   28 o  212.950   11.425  580.703   60.531  579.738   79.028  582.072   94.153  210.823   15.111  209.269   18.198 1.554169 23.65409 
1 1 1   -9   30   29 o  203.827   11.685  533.330   59.226  544.560   76.778  516.828   93.068  204.079   15.174  196.144   19.249 7.935471 24.51081 
1 1 1   -9   30   30 o   76.486   16.021   79.192   29.620   82.979   36.833   72.261   49.832   77.383   19.162   72.519   23.809 4.863678 30.56227 
1 1 1   -9   30   31 o   49.644   17.334   30.036   26.438   12.664   31.990   67.469   46.959   44.522   18.180   70.172   23.116 -25.65049 29.40886 
1 1 1   -9   30   32 o   46.847   16.908   25.390   25.336   29.543   30.521   16.186   45.438   50.639   18.514   51.665   21.439 -1.025616 28.32716 
1 1 1   -9   30   33 o  122.257   12.706  195.201   38.225  228.234   48.773  142.601   61.544  131.126   15.175   98.413   24.995 32.71243 29.24127 
1 1 1   -9   30   34 o   97.339   14.095  125.957   33.264  105.362   41.282  164.084   56.169   86.593   19.554  107.418   21.687 -20.82497 29.20051 
1 1 1   -9   30   35 o  150.311   12.149  293.912   45.214  293.497   58.252  294.542   71.709  148.069   16.009  145.505   20.287 2.563904 25.84286 
1 1 1   -9   30   36 o  102.273   13.900  139.037   34.581  134.945   43.042  146.488   58.080   98.745   18.123   99.834   23.659 -1.089661 29.80234 
1 1 1   -9   30   37 o   65.718   17.102   60.125   28.336   72.766   34.249   32.699   50.446   71.763   18.863   57.662   23.086 14.10167 29.81267 
1 1 1   -9   30   38 o   59.280   16.920   48.681   26.284   42.257   30.685   66.380   50.934   56.167   18.695   68.833   24.058 -12.66545 30.46790 
1 1 1   -9   30   39 o   41.912   15.922   18.256   22.999   15.086   26.016   29.597   49.203   41.909   16.644   55.965   22.661 -14.05646 28.11665 
1 1 1   -9   30   40 o   66.772   16.501   62.461   27.356   58.129   31.930   74.416   53.039   63.964   18.767   71.279   24.571 -7.315151 30.91756 
1 1 1   -9   30   41 o  101.023   13.999  137.573   34.366  127.179   41.582  159.971   61.041   94.746   18.237  102.189   24.279 -7.442947 30.36563 
1 1 1   -9   30   42 o   77.497   16.062   84.113   30.063   68.376   35.238  126.204   57.630   68.385   19.615   89.525   24.882 -21.13988 31.68399 
1 1 1   -9   31    1 o  100.830   13.670  139.623   33.534  200.650   62.327  114.761   39.782  112.878   22.895   87.910   18.697 24.96819 29.55886 
1 1 1   -9   31    2 o   41.308   15.684   19.030   22.311   15.234   52.632   19.861   24.634   51.374   22.252   42.634   16.410 8.740559 27.64860 
1 1 1   -9   31    3 o   65.477   16.398   61.229   26.754   71.739   54.477   57.888   30.713   68.648   24.790   63.051   18.379 5.596672 30.85985 
1 1 1   -9   31    4 f   49.469   17.559   31.517   27.211   32.840   88.726   31.380   28.588   64.959   28.500   49.740   17.959 15.21886 33.68604 
1 1 1   -9   31    5 o   50.535   16.923   34.036   25.140   10.300   48.177   42.918   29.470   49.760   21.421   55.815   18.309 -6.055164 28.17970 
1 1 1   -9   31    6 o  111.235   12.959  164.264   35.323  179.616   56.291  154.293   45.366  111.420   21.001  105.036   17.940 6.384369 27.62074 
1 1 1   -9   31    7 o   52.053   16.705   36.362   24.609   47.249   45.509   31.863   29.255   60.840   22.546   50.725   18.185 10.11542 28.96546 
1 1 1   -9   31    8 o  114.797   12.399  173.023   34.980  239.542   54.993  127.820   45.334  132.659   16.991   94.958   19.761 37.70097 26.06097 
1 1 1   -9   31    9 o   72.446   17.158   72.889   30.563   48.828   48.099   89.182   39.581   62.466   23.173   79.161   20.012 -16.69482 30.61775 
1 1 1   -9   31   10 o  160.172   19.192  351.871   75.235  352.137   92.907  351.365  128.232  155.925   24.682  145.023   35.658 10.90186 43.36728 
1 1 1   -9   31   11 o   44.442   17.018   19.587   26.405   43.845   43.079   4.9877   33.419   59.927   21.983   42.517   18.060 17.40953 28.44975 
1 1 1   -9   31   12 o   87.596   15.068  102.895   31.772   92.829   46.615  111.629   43.421   80.587   22.371   89.280   19.975 -8.693001 29.99124 
1 1 1   -9   31   13 o  164.101   11.068  346.194   45.091  372.320   62.463  317.763   65.158  168.220   15.028  154.088   17.229 14.13191 22.86151 
1 1 1   -9   31   14 o   45.039   17.041   20.657   26.280   1.0595   38.449   37.839   36.003   44.237   19.090   56.045   20.164 -11.80833 27.76748 
1 1 1   -9   31   15 o   46.307   17.362   22.506   27.144   36.655   37.862   7.5455   38.934   56.151   20.607   46.408   19.590 9.743462 28.43298 
1 1 1   -9   31   16 o  126.990   12.301  208.864   38.519  217.585   51.527  197.817   57.994  127.860   16.525  120.137   20.037 7.722809 25.97178 
1 1 1   -9   31   17 o   73.863   19.764   75.594   37.171   85.399   55.630   67.686   49.961   78.093   25.122   70.901   23.857 7.191879 34.64496 
1 1 1   -9   31   18 o   78.901   19.383   86.100   37.915   49.347   56.280  116.644   51.306   65.734   24.922   90.804   22.690 -25.07011 33.70382 
1 1 1   -9   31   19 o  139.175   11.819  249.601   40.689  259.172   52.815  235.624   63.821  140.400   15.312  131.489   20.073 8.910980 25.24664 
1 1 1   -9   31   20 o  150.075   11.893  290.042   44.204  275.837   57.407  310.731   69.283  144.485   16.189  152.151   18.624 -7.666046 24.67631 
1 1 1   -9   31   21 o  122.765   12.616  195.428   38.128  169.445   49.235  234.355   60.263  111.996   18.231  131.771   18.851 -19.77433 26.22501 
1 1 1   -9   31   22 o  103.546   22.056  150.146   55.284   0.0000   0.0000  150.146   55.284  ?   ?   103.546   22.056 0.000000 22.05595 
1 1 1   -9   31   23 o   94.623   17.301  121.036   39.373  111.098   40.911  245.847  144.978   89.990   18.811  120.513   40.639 -30.52280 44.78140 
1 1 1   -9   31   24 o  111.381   12.851  161.582   35.087  136.436   44.285  203.982   57.506  100.097   18.395  122.354   19.474 -22.25684 26.78801 
1 1 1   -9   31   25 o  147.189   11.770  279.297   42.898  315.047   54.895  223.218   68.753  155.245   14.322  126.246   22.640 28.99902 26.78957 
1 1 1   -9   31   26 o   56.351   19.540   39.870   33.569   34.035   34.599  133.476  138.575   54.063   19.721   96.397   38.373 -42.33363 43.14393 
1 1 1   -9   31   27 f   63.425   21.970   52.280   42.431   43.134   44.385  149.327  144.583   60.304   22.282   99.189   39.287 -38.88494 45.16590 
1 1 1   -9   31   28 o   61.929   21.561   49.567   40.892   43.142   42.626  123.734  144.826   59.762   21.875   94.193   38.598 -34.43064 44.36580 
1 1 1   -9   31   29 o  131.400   14.313  227.503   46.207  240.576   64.839  214.012   65.866  131.844   20.349  123.075   22.250 8.769157 30.15171 
1 1 1   -9   31   30 o  191.180   11.492  471.600   54.608  423.414   70.081  546.078   87.127  178.510   15.887  201.639   17.476 -23.12984 23.61827 
1 1 1   -9   31   31 o   68.467   17.064   64.848   29.071   47.810   35.238  101.150   51.438   59.876   20.036   83.234   23.640 -23.35841 30.98891 
1 1 1   -9   31   32 o  132.873   12.437  230.551   40.787  258.671   51.654  183.985   66.471  139.424   15.076  111.827   24.482 27.59766 28.75173 
1 1 1   -9   31   33 o   57.435   17.461   45.080   27.266   48.086   32.764   38.310   49.172   59.489   19.295   59.153   23.068 0.3364563 30.07315 
1 1 1   -9   31   34 o   69.212   17.312   66.836   29.844   80.992   36.371   37.659   52.214   75.572   19.227   59.653   23.615 15.91908 30.45215 
1 1 1   -9   31   35 o   59.948   17.411   49.821   27.608   55.573   32.977   36.341   50.482   63.046   19.211   58.659   23.221 4.386688 30.13735 
1 1 1   -9   31   36 o   89.197   15.203  108.065   32.648   89.478   39.645  147.233   57.551   78.900   20.073   99.568   23.521 -20.66846 30.92183 
1 1 1   -9   31   37 o  121.770   12.957  195.966   38.796  163.921   48.372  253.744   64.953  108.210   18.570  134.038   20.019 -25.82771 27.30550 
1 1 1   -9   31   38 o   92.811   15.054  117.226   33.696  122.272   41.535  107.511   57.630   92.976   18.540   83.511   25.385 9.464836 31.43429 
1 1 1   -9   31   39 o   52.283   17.008   36.997   25.452   48.455   29.392   2.6487   50.888   58.784   18.176   49.121   21.566 9.662544 28.20448 
1 1 1   -9   31   40 o   68.790   17.053   67.209   29.147   76.466   34.153   42.392   55.919   72.719   18.702   60.604   24.291 12.11477 30.65662 
1 1 1   -9   31   41 o   46.197   16.566   26.625   24.281   16.711   27.321   63.889   52.968   42.760   17.033   66.432   24.375 -23.67153 29.73647 
1 1 1   -9   32    1 o   69.468   25.182   84.907   56.291   49.376   68.537  158.553   98.673   60.156   25.714   83.050   32.595 -22.89346 41.51678 
1 1 1   -9   32    2 o   31.927   13.695   2.5011   19.562   19.052   52.472  -0.1705   21.081   50.903   22.133   31.951   13.958 18.95123 26.16676 
1 1 1   -9   32    3 o   43.684   16.172   23.678   23.404 -30.1468   54.473   35.862   25.917   42.614   20.031   50.520   17.182 -7.906620 26.39015 
1 1 1   -9   32    4 o  100.032   13.415  136.922   32.666  163.614   59.205  125.240   39.167  100.653   23.909   92.861   17.533 7.792053 29.64886 
1 1 1   -9   32    5 o   22.547   10.708 -18.4139   16.337 -31.5581   47.956 -16.6882   17.376   40.158   18.850   23.970   11.282 16.18772 21.96785 
1 1 1   -9   32    6 o   43.884   16.904   20.935   26.157   15.377   82.092   21.563   27.595   59.725   26.738   44.714   17.324 15.01090 31.85977 
1 1 1   -9   32    7 o   45.417   16.257   25.725   23.375   26.534   46.846   25.457   26.972   53.244   21.901   46.419   17.326 6.824863 27.92551 
1 1 1   -9   32    8 o   43.933   16.534   21.636   24.660 -41.0804   45.798   47.243   29.264   38.126   18.056   57.912   18.175 -19.78596 25.61912 
1 1 1   -9   32    9 o   92.720   14.169  116.374   31.766  116.078   51.243  116.559   40.482   87.504   23.108   90.450   18.545 -2.945732 29.62976 
1 1 1   -9   32   10 o   44.438   16.374   22.752   23.939   42.041   43.587   14.420   28.647   58.263   21.970   42.817   17.307 15.44613 27.96809 
1 1 1   -9   32   11 o   29.516   13.520 -13.3061   22.483 -63.1867   41.776   7.0326   26.676   33.036   16.049   39.055   16.335 -6.018841 22.89990 
1 1 1   -9   32   12 o   55.960   22.928   26.927   51.093 -11.1036   56.921  184.638  115.913   49.206   22.129  101.815   36.229 -52.60946 42.45255 
1 1 1   -9   32   13 o   57.327   17.668   44.971   27.796   66.216   43.000   29.722   36.431   68.359   22.097   52.210   19.990 16.14915 29.79704 
1 1 1   -9   32   14 f  115.347   12.643  174.655   35.821  232.033   51.054  119.025   50.271  131.409   15.880   90.426   22.382 40.98243 27.44366 
1 1 1   -9   32   15 o  164.037   11.210  347.804   45.645  443.557   63.276  243.923   65.907  183.718   13.895  131.913   20.688 51.80544 24.92116 
1 1 1   -9   32   16 o   55.297   17.874   40.718   28.134   24.351   40.510   55.969   39.103   51.979   20.730   64.005   21.095 -12.02607 29.57545 
1 1 1   -9   32   17 o   50.385   17.643   31.392   27.400   46.977   37.027   12.525   40.738   59.824   20.535   48.361   20.203 11.46320 28.80709 
1 1 1   -9   32   18 f   88.707   14.856  105.564   31.745  103.035   42.194  108.864   48.191   85.444   20.110   87.012   22.128 -1.567535 29.90056 
1 1 1   -9   32   19 o   84.894   16.354   98.121   33.411  101.406   43.199   93.231   52.708   84.590   20.634   80.164   24.257 4.425629 31.84588 
1 1 1   -9   32   20 o   51.872   19.556   29.502   34.531   33.251   51.666   26.475   46.422   58.757   23.418   54.979   22.099 3.778618 32.19860 
1 1 1   -9   32   21 o   83.821   23.749  102.076   51.976   0.0000   0.0000  102.076   51.976  ?   ?    83.821   23.749 0.000000 23.74872 
1 1 1   -9   32   22 o  126.460   15.427  212.925   47.707  217.821   50.441  171.402  146.893  127.528   16.205  101.547   39.795 25.98069 42.96750 
1 1 1   -9   32   23 o   80.259   16.055   87.697   31.053  117.982   39.836   40.789   49.577   92.617   17.871   60.480   23.280 32.13710 29.34839 
1 1 1   -9   32   24 o  104.467   13.466  143.955   34.311  145.485   43.596  141.464   55.617  103.210   17.543   98.957   22.952 4.252480 28.88863 
1 1 1   -9   32   25 o  134.356   12.098  234.785   40.155  234.804   51.204  234.753   64.715  132.557   15.779  129.646   20.684 2.910614 26.01552 
1 1 1   -9   32   26 o   90.128   14.578  108.835   31.690   92.232   39.524  138.721   53.028   80.781   19.757   98.209   22.150 -17.42812 29.68095 
1 1 1   -9   32   27 o   60.092   17.627   49.699   28.172   31.442   34.956   83.530   47.585   52.609   19.707   76.018   23.058 -23.40889 30.33218 
1 1 1   -9   32   28 o   96.674   14.210  124.768   33.280  109.642   41.135  153.431   56.624   88.286   19.205  102.851   22.658 -14.56561 29.70216 
1 1 1   -9   32   29 o   50.520   18.925   28.832   32.237   28.391   32.959   38.573  154.900   50.576   19.097   80.424   36.305 -29.84822 41.02102 
1 1 1   -9   32   30 o  155.883   18.439  333.938   70.387  312.706   76.376  453.615  181.330  148.729   21.161  149.083   44.964 -0.3531494 49.69460 
1 1 1   -9   32   31 o  117.679   19.403  193.979   55.031  176.492   58.164  343.352  169.992  110.589   21.836  128.159   43.998 -17.57011 49.11906 
1 1 1   -9   32   32 o  128.819   14.834  222.177   46.847  235.694   63.006  205.465   70.059  129.244   20.181  117.229   24.711 12.01498 31.90473 
1 1 1   -9   32   33 o  145.451   14.235  281.516   51.042  312.827   69.890  245.728   74.720  149.875   19.109  128.811   24.116 21.06381 30.76861 
1 1 1   -9   32   34 o   56.376   17.766   43.614   27.930   48.292   33.657   33.267   50.055   59.293   19.572   57.264   22.972 2.029011 30.17906 
1 1 1   -9   32   35 o   54.681   17.644   40.673   27.424   39.584   32.405   43.421   51.481   54.937   19.190   60.610   23.612 -5.672123 30.42661 
1 1 1   -9   32   36 o   80.913   15.924   90.611   31.029   72.600   37.298  131.093   55.919   70.721   20.146   92.815   23.962 -22.09410 31.30549 
1 1 1   -9   32   37 o  103.925   14.502  146.186   36.611  166.545   44.881  105.694   63.296  109.574   16.949   81.747   26.833 27.82722 31.73798 
1 1 1   -9   32   38 o   63.511   17.522   57.498   28.693   70.338   33.694   23.612   54.737   69.673   18.891   55.238   23.268 14.43475 29.97116 
1 1 1   -9   32   39 o  106.693   14.300  154.603   37.142  161.550   45.224  140.208   65.103  107.051   17.524   92.750   26.678 14.30019 31.91904 
1 1 1   -9   32   40 o   49.791   17.253   32.915   26.169   38.293   29.786   14.722   54.786   53.124   18.407   52.516   22.725 0.6082802 29.24458 
1 1 1   -9   33    1 o   52.765   22.830   33.019   55.285   19.563   66.675   62.624   98.899   52.130   23.648   62.191   28.439 -10.06142 36.98694 
1 1 1   -9   33    2 o   68.701   25.433   87.503   57.881  105.584   70.877   51.300  100.288   72.303   27.834   61.942   28.440 10.36110 39.79361 
1 1 1   -9   33    3 o   56.640   23.463   44.292   54.285 -15.4230   63.640  203.810  104.014   46.913   21.922   90.771   33.996 -43.85779 40.45154 
1 1 1   -9   33    4 o   94.184   14.438  125.375   32.875  177.179   62.011  105.123   38.771  101.696   24.670   82.479   19.186 19.21707 31.25256 
1 1 1   -9   33    5 o   31.777   13.694   1.8207   19.730   29.198   51.756  -2.8342   21.341   53.219   22.533   31.204   13.821 22.01556 26.43410 
1 1 1   -9   33    6 o   64.492   17.077   61.478   27.936   77.589   57.192   56.430   32.015   68.470   25.294   61.133   18.981 7.337334 31.62399 
1 1 1   -9   33    7 f   34.692   14.644   5.3339   21.752  -5.7454   51.946   7.6897   23.953   46.141   20.909   36.910   15.462 9.230633 26.00452 
1 1 1   -9   33    8 o   52.410   17.924   38.249   28.205   38.211   81.778   38.254   30.048   62.653   27.428   52.658   18.474 9.994846 33.06916 
1 1 1   -9   33    9 o   37.177   15.236   9.6905   22.571  -2.6780   46.093   13.592   25.887   44.998   20.098   40.522   16.427 4.475677 25.95708 
1 1 1   -9   33   10 o   52.220   17.521   37.474   26.947 -46.7880   48.423   75.275   32.433   38.247   18.242   71.886   18.084 -33.63919 25.68607 
1 1 1   -9   33   11 o   24.022   11.507 -25.3519   19.723   1.3839   42.016 -32.9078   22.336   44.585   19.585   24.640   11.914 19.94537 22.92442 
1 1 1   -9   33   12 o   53.258   17.446   38.936   26.760   28.868   45.422   44.288   33.118   53.722   21.766   56.696   19.422 -2.973621 29.17116 
1 1 1   -9   33   13 o   75.400   16.274   79.724   29.744  103.723   46.707   63.353   38.577   82.983   22.132   65.954   20.889 17.02964 30.43346 
1 1 1   -9   33   14 o   85.113   25.483  113.400   58.399  152.264   66.678 -14.6064  121.011   97.837   26.594   65.870   30.596 31.96722 40.53806 
1 1 1   -9   33   15 o   58.161   17.946   47.208   28.668   47.910   43.885   46.685   37.864   60.380   22.182   58.879   20.732 1.500988 30.36202 
1 1 1   -9   33   16 o   64.819   17.617   59.364   29.263   30.654   41.981   86.496   40.812   53.877   21.224   76.937   20.761 -23.06086 29.68962 
1 1 1   -9   33   17 o   55.180   17.674   41.512   27.556   65.929   39.575   18.533   38.392   67.699   21.118   48.645   19.896 19.05444 29.01387 
1 1 1   -9   33   18 o   58.927   17.745   48.272   28.257   46.886   39.210   49.770   40.757   59.478   21.081   60.909   21.503 -1.431179 30.11296 
1 1 1   -9   33   19 o   82.760   15.804   94.046   31.470  121.988   42.086   58.609   47.396   92.990   18.771   65.352   23.176 27.63824 29.82376 
1 1 1   -9   33   20 o   42.949   18.910  -3.0292   39.368   0.0000   0.0000  -3.0292   39.368  ?   ?    42.949   18.910 0.000000 18.91014 
1 1 1   -9   33   21 o  137.360   12.495  247.603   42.390  260.059   54.358  228.273   67.718  138.729   15.983  125.478   22.435 13.25112 27.54603 
1 1 1   -9   33   22 o   77.343   19.964   85.938   38.820   62.729   57.520  105.352   52.607   68.235   25.335   83.864   23.938 -15.62890 34.85531 
1 1 1   -9   33   23 o   39.116   17.113  -2.0546   31.790   8.3649   47.715 -10.3710   42.629   49.689   21.354   42.849   19.220 6.839752 28.72912 
1 1 1   -9   33   24 o   78.839   16.842   86.417   32.151  102.034   40.868   61.056   52.081   84.438   19.736   66.898   24.226 17.53984 31.24805 
1 1 1   -9   33   25 o   90.294   14.979  110.559   32.590   86.091   41.544  149.712   52.552   76.955   21.023  101.693   21.373 -24.73866 29.97914 
1 1 1   -9   33   26 f   51.185   17.752   33.634   27.705   26.410   34.828   46.084   45.721   50.171   19.455   60.451   22.559 -10.27958 29.78979 
1 1 1   -9   33   27 o   61.118   17.666   52.302   28.484   58.046   35.499   41.918   47.727   64.065   20.003   59.393   22.847 4.671810 30.36595 
1 1 1   -9   33   28 o   67.769   17.458   64.730   29.726   84.132   36.887   28.791   50.204   76.586   19.296   55.937   22.801 20.64898 29.86980 
1 1 1   -9   33   29 o   79.473   16.163   87.496   30.985   62.298   37.989  137.574   53.555   65.988   20.707   96.265   22.655 -30.27695 30.69289 
1 1 1   -9   33   30 o  101.927   14.197  139.738   35.155  172.319   43.575   78.998   59.496  112.351   15.982   73.222   25.966 39.12928 30.49055 
1 1 1   -9   33   31 o  166.841   11.817  364.042   48.914  390.129   61.485  319.072   80.728  170.786   14.556  147.763   22.596 23.02278 26.87844 
1 1 1   -9   33   32 o  147.606   15.559  295.040   56.485  322.259   59.053   2.2662  193.672  154.337   15.533   78.595   37.195 75.74174 40.30838 
1 1 1   -9   33   33 o  125.416   15.959  214.824   48.848  222.096   50.455  106.095  195.101  127.362   16.233   87.298   39.929 40.06371 43.10255 
1 1 1   -9   33   34 o   44.753   18.239   15.708   32.119   14.939   32.572   42.726  193.156   44.682   18.307   80.890   37.925 -36.20718 42.11184 
1 1 1   -9   33   35 o  140.074   19.308  278.951   65.742  280.776   68.977  260.853  217.217  139.602   20.387  101.508   44.562 38.09412 49.00436 
1 1 1   -9   33   36 o   62.894   18.803   56.989   31.813   50.107   38.553   71.677   56.322   59.938   20.932   69.506   25.190 -9.568230 32.75176 
1 1 1   -9   33   37 o  118.393   14.990  191.629   43.325  167.319   55.812  228.489   68.724  105.586   21.886  122.528   23.312 -16.94270 31.97630 
1 1 1   -9   33   38 o   74.360   17.369   79.576   31.669   80.438   37.309   77.353   59.901   73.500   19.858   70.778   25.928 2.721504 32.65865 
1 1 1   -9   33   39 o  117.202   14.143  187.393   40.556  196.560   49.739  169.207   70.054  117.590   17.470  100.156   27.274 17.43354 32.38879 
1 1 1   -9   34    1 o   50.914   22.749   31.662   59.119   65.180   71.099 -43.4352  106.423   58.258   25.537   49.322   24.301 8.935944 35.25134 
1 1 1   -9   34    2 o   46.279   21.330   4.3172   57.154   3.3919   68.218   6.4962  104.682   48.565   22.695   54.252   26.123 -5.687218 34.60460 
1 1 1   -9   34    3 o   55.373   23.689   45.049   58.246   79.162   68.489 -44.1084  110.724   63.706   26.369   51.847   25.391 11.85892 36.60660 
1 1 1   -9   34    4 o   37.891   18.263 -45.2233   51.473 -59.8043   58.959   1.5035  105.546   38.942   18.952   55.956   26.755 -17.01448 32.78765 
1 1 1   -9   34    5 o   44.429   20.528  -8.7986   53.431   9.3667   61.394 -65.5188  108.486   49.894   22.657   51.426   25.174 -1.532349 33.86810 
1 1 1   -9   34    6 o   53.486   17.283   42.753   26.306   49.324   58.577   41.093   29.442   58.460   24.308   52.653   18.297 5.806637 30.42456 
1 1 1   -9   34    7 o   45.722   16.427   28.206   23.887   66.096   55.928   19.751   26.418   63.504   24.646   42.469   16.802 21.03557 29.82881 
1 1 1   -9   34    8 o   42.477   16.270   21.205   24.142   9.0736   53.219   24.348   27.089   48.812   21.713   44.861   17.223 3.951351 27.71452 
1 1 1   -9   34    9 o   54.977   17.411   44.313   26.800   51.966   52.541   41.621   31.158   59.977   23.706   53.767   18.815 6.210545 30.26554 
1 1 1   -9   34   10 o   51.136   17.984   36.330   28.482   37.191   84.962   36.220   30.232   61.894   27.488   51.350   18.477 10.54456 33.12132 
1 1 1   -9   34   11 o   89.307   14.871  111.690   31.999  157.107   54.920   88.348   39.372   99.806   22.565   75.759   20.370 24.04672 30.39959 
1 1 1   -9   34   12 o   53.896   17.267   41.391   26.300   72.004   48.728   28.808   31.241   67.777   23.540   48.667   18.540 19.10983 29.96457 
1 1 1   -9   34   13 o   73.159   16.895   77.231   30.242   72.754   49.308   79.931   38.289   68.378   23.684   72.576   20.321 -4.198380 31.20652 
1 1 1   -9   34   14 o   44.316   16.857   22.290   25.801   46.596   44.737   10.176   31.583   58.733   22.231   42.044   17.691 16.68875 28.41104 
1 1 1   -9   34   15 o   47.517   17.304   28.296   26.622   61.912   43.907   8.7531   33.477   64.642   22.351   42.569   18.078 22.07339 28.74720 
1 1 1   -9   34   16 o   71.508   25.076   79.232   55.359   95.694   61.664   10.851  125.678   76.980   26.495   67.702   31.353 9.277916 41.04892 
1 1 1   -9   34   17 o   63.743   19.674   59.253   34.454  106.251   59.107   35.066   42.402   81.223   25.871   54.716   21.398 26.50673 33.57312 
1 1 1   -9   34   18 o   58.118   17.863   47.893   28.435   56.310   40.789   39.935   39.662   62.651   21.550   55.942   20.985 6.708241 30.07921 
1 1 1   -9   34   19 o   38.090   16.693  -1.3491   30.370   17.118   58.161  -8.2720   35.610   54.545   23.509   39.152   17.563 15.39293 29.34512 
1 1 1   -9   34   20 o   55.117   18.251   41.853   29.258   38.534   39.820   45.748   43.134   55.597   20.991   58.972   21.931 -3.375240 30.35721 
1 1 1   -9   34   21 o   93.867   15.012  120.696   34.002  149.500   44.274   79.281   53.088  102.909   17.877   72.306   24.591 30.60357 30.40241 
1 1 1   -9   34   22 o   71.627   17.315   73.011   30.629   68.036   40.426   79.716   46.929   68.001   21.365   72.715   23.041 -4.714081 31.42175 
1 1 1   -9   34   23 o   34.871   15.355  -3.2355   25.963   4.6066   34.314 -13.7369   39.708   42.080   18.097   40.156   18.229 1.924385 25.68654 
1 1 1   -9   34   24 o   90.884   16.097  114.567   35.196  108.354   44.741  124.655   57.006   85.480   21.090   89.397   24.711 -3.917755 32.48719 
1 1 1   -9   34   25 o   75.762   20.424   84.585   39.518   74.658   58.425   92.958   53.654   70.961   25.666   77.572   24.642 -6.611244 35.58033 
1 1 1   -9   34   26 o   39.213   16.637   5.5965   28.305  -8.9240   35.985   29.158   45.838   39.291   17.639   54.146   21.890 -14.85507 28.11244 
1 1 1   -9   34   27 o   75.237   17.102   80.189   31.403   99.979   39.903   47.991   50.898   82.865   19.592   61.303   23.590 21.56193 30.66516 
1 1 1   -9   34   28 o   70.453   17.318   70.669   30.254   59.728   37.429   91.288   51.382   64.280   20.599   77.060   24.066 -12.77922 31.67827 
1 1 1   -9   34   29 o  155.812   12.091  319.828   46.677  351.815   59.190  267.220   75.909  161.370   14.855  133.101   23.707 28.26846 27.97698 
1 1 1   -9   34   30 o   73.937   16.999   77.516   30.730   82.748   37.655   67.084   53.174   75.110   19.796   67.891   24.496 7.218903 31.49499 
1 1 1   -9   34   31 o  153.485   12.123  310.813   46.087  336.893   57.851  265.509   76.247  157.761   14.860  132.166   23.985 25.59525 28.21536 
1 1 1   -9   34   32 o   75.381   17.284   81.022   31.842   71.740   38.403  101.438   56.957   69.597   20.626   80.016   25.386 -10.41824 32.70903 
1 1 1   -9   34   33 o   64.504   17.793   59.903   29.593   64.620   35.535   49.230   53.455   66.339   19.882   61.709   24.055 4.629280 31.20757 
1 1 1   -9   34   34 o  120.425   13.745  195.799   40.593  206.945   50.044  174.358   69.408  121.585   16.943  103.288   26.711 18.29664 31.63083 
1 1 1   -9   34   35 o  101.022   17.271  144.712   42.005  139.131   42.760  298.604  224.526   98.488   18.051   99.926   44.515 -1.438309 48.03533 
1 1 1   -9   34   36 o   55.908   19.625   43.447   33.909   46.434   34.312 -81.3417  221.807   57.301   19.762   71.378   35.151 -14.07703 40.32534 
1 1 1   -9   34   37 o   50.909   19.480   31.703   34.584   26.763   34.967  253.043  234.078   49.123   19.364   91.988   42.666 -42.86530 46.85476 
1 1 1   -9   35    3 o   56.355   24.267   60.705   61.865   59.832   72.746   62.985  117.593   56.276   25.184   57.573   27.713 -1.296947 37.44635 
1 1 1   -9   35    4 o   52.404   23.132   38.313   59.281   29.533   68.607   64.183  117.761   51.891   23.713   59.233   28.305 -7.342224 36.92509 
1 1 1   -9   35    5 o   55.146   23.720   47.267   58.971   39.268   68.328   70.619  116.745   54.418   24.376   61.298   28.969 -6.880066 37.86012 
1 1 1   -9   35    6 o   73.135   26.976  112.411   65.002  120.730   76.467   90.740  123.418   72.898   28.667   64.875   30.384 8.023109 41.77290 
1 1 1   -9   35    7 o   74.523   27.271  114.287   66.242  105.132   76.239  142.492  133.814   70.301   28.298   71.787   32.920 -1.485390 43.41073 
1 1 1   -9   35    8 o   44.150   16.532   25.644   24.595   43.506   59.575   21.974   27.003   56.409   24.040   43.154   17.015 13.25534 29.45180 
1 1 1   -9   35    9 o   38.402   15.465   14.240   22.782   21.876   55.863   12.716   24.952   51.355   22.571   38.738   15.964 12.61668 27.64581 
1 1 1   -9   35   10 o   41.695   16.232   19.888   24.314   49.079   54.514   12.639   27.166   58.225   23.749   39.854   16.561 18.37090 28.95330 
1 1 1   -9   35   11 o   32.758   14.242   1.1113   21.721 -11.5757   50.923   3.9328   24.015   43.806   20.169   35.178   15.134 8.628178 25.21589 
1 1 1   -9   35   12 o   40.148   16.451   13.719   26.308  -1.4545   87.165   15.240   27.594   55.568   25.862   41.301   16.877 14.26746 30.88206 
1 1 1   -9   35   13 o   44.091   16.693   23.552   25.229   48.808   50.823   15.293   29.063   58.808   23.293   42.062   17.270 16.74619 28.99642 
1 1 1   -9   35   14 o  100.406   14.445  140.561   35.175  195.444   56.011  104.820   45.200  113.121   20.586   81.084   21.836 32.03693 30.01007 
1 1 1   -9   35   15 o   55.290   17.778   44.391   27.861   36.116   47.705   48.674   34.322   54.943   22.290   57.577   19.770 -2.633530 29.79420 
1 1 1   -9   35   16 o  136.892   12.104  251.153   40.952  336.292   60.173  177.695   55.893  155.024   15.763  107.365   21.595 47.65826 26.73617 
1 1 1   -9   35   17 o   58.732   17.988   50.446   28.865   82.757   46.235   29.809   36.951   72.161   22.870   50.590   19.917 21.57070 30.32717 
1 1 1   -9   35   18 o   69.673   32.641   28.396  142.611   0.0000   0.0000   28.396  142.611  ?   ?    69.673   32.641 0.000000 32.64066 
1 1 1   -9   35   19 o   47.919   21.028   6.7045   48.330 -14.9110   51.681  157.362  136.440   44.718   20.489   85.934   36.496 -41.21584 41.85368 
1 1 1   -9   35   20 o   77.039   17.414   85.945   32.714   83.104   45.127   89.091   47.492   72.979   22.515   75.158   23.082 -2.178795 32.24479 
1 1 1   -9   35   21 o   46.510   17.569   25.568   27.906   29.688   40.038   21.676   38.915   51.788   20.623   48.779   20.000 3.009174 28.72844 
1 1 1   -9   35   22 o   52.840   18.209   38.268   29.128   32.699   39.528   44.885   43.090   52.761   20.652   57.900   21.842 -5.138420 30.05950 
1 1 1   -9   35   23 o   82.102   16.325   95.425   32.292   72.883   42.967  124.684   48.951   69.126   22.062   90.201   21.942 -21.07554 31.11525 
1 1 1   -9   35   24 o  112.798   13.755  172.539   37.942  179.697   49.505  162.349   59.068  111.896   18.353  101.920   23.663 9.976418 29.94608 
1 1 1   -9   35   25 o   40.584   16.771   11.217   27.637 -40.7879   35.485   91.396   44.062   32.254   15.446   77.189   21.865 -44.93423 26.77041 
1 1 1   -9   35   26 o   61.955   18.315   55.708   30.310   44.466   38.539   73.938   49.077   57.168   20.819   69.440   23.643 -12.27204 31.50313 
1 1 1   -9   35   27 o  115.520   17.822  189.754   49.757  210.906   74.213  172.482   67.063  113.772   26.598  102.985   26.057 10.78759 37.23421 
1 1 1   -9   35   28 o   61.554   21.757   54.452   41.736   17.236   63.108   83.383   55.642   55.436   24.186   72.750   25.161 -17.31310 34.90030 
1 1 1   -9   35   29 o   73.590   17.838   78.588   32.440   70.743   40.317   92.995   54.633   68.458   21.308   76.265   24.924 -7.807213 32.79105 
1 1 1   -9   35   30 o   65.469   18.202   62.597   30.834   53.802   37.905   79.800   53.014   60.918   20.779   71.382   24.567 -10.46476 32.17583 
1 1 1   -9   35   31 o  103.119   14.375  145.786   36.009  138.104   44.250  160.848   61.960   97.321   18.889  100.048   24.899 -2.726944 31.25289 
1 1 1   -9   35   32 o  106.169   14.230  154.376   36.777  151.716   45.041  159.698   63.705  102.459   18.274   98.766   25.614 3.693176 31.46419 
1 1 1   -9   35   33 o   88.106   15.868  109.431   33.628  111.624   40.732  104.737   59.596   86.734   19.303   79.264   26.038 7.469299 32.41288 
1 1 1   -9   35   34 o   77.538   17.331   87.326   32.713  114.929   39.166   23.639   59.492   88.591   18.309   55.135   23.769 33.45646 30.00344 
1 1 1   -9   35   35 o   54.746   17.981   42.936   28.421   36.230   33.023   62.091   55.812   52.158   19.229   64.442   24.726 -12.28486 31.32304 
1 1 1   -9   35   36 o   43.448   17.063   20.126   27.056   20.871   31.114   17.814   54.788   45.252   18.126   52.074   22.629 -6.821442 28.99369 
1 1 1   -9   36    5 o   47.799   22.079   20.972   61.745   43.904   70.356 -55.8828  128.801   52.348   23.956   49.079   24.591 3.269829 34.33077 
1 1 1   -9   36    6 o   47.281   21.950   12.407   62.162   67.540   71.120 -166.0313  127.947   57.615   25.389   44.980   22.779 12.63480 34.11025 
1 1 1   -9   36    7 o   64.345   26.565   92.970   69.250   95.381   79.010   84.978  143.841   63.812   27.452   60.945   29.647 2.867477 40.40498 
1 1 1   -9   36    8 o   51.440   23.148   28.311   62.397   10.509   69.977   97.382  137.838   49.773   23.168   63.445   30.399 -13.67218 38.22120 
1 1 1   -9   36    9 o   61.930   25.290   72.656   61.911   58.610   70.344  120.924  130.400   58.793   25.595   67.287   31.422 -8.494320 40.52733 
1 1 1   -9   36   10 o   40.525   15.980   19.068   23.821   27.573   57.179   17.282   26.204   51.605   22.752   40.603   16.503 11.00233 28.10671 
1 1 1   -9   36   11 o   53.773   17.668   44.376   27.439   27.552   57.683   49.296   31.194   52.176   22.933   56.011   18.851 -3.834663 29.68653 
1 1 1   -9   36   12 o   31.974   14.074  -0.4766   21.791 -18.8036   52.534   3.3319   23.948   42.418   19.852   34.608   15.000 7.809673 24.88215 
1 1 1   -9   36   13 o   44.063   16.631   24.851   24.993   59.518   52.380   14.631   28.440   60.650   23.764   40.974   16.979 19.67558 29.20661 
1 1 1   -9   36   14 o   33.494   14.927  -3.1258   25.279 -29.5673   87.030  -0.6894   26.418   51.247   24.446   34.916   15.426 16.33137 28.90578 
1 1 1   -9   36   15 f   50.694   18.731   35.800   31.368   53.023   85.338   33.109   33.729   62.768   27.728   49.993   19.212 12.77485 33.73356 
1 1 1   -9   36   16 o   68.181   17.466   69.889   29.871   98.758   51.541   55.288   36.655   75.800   24.160   59.805   20.433 15.99487 31.64187 
1 1 1   -9   36   17 o   58.602   19.292   52.019   32.708  122.991   81.463   38.379   35.713   78.798   29.958   52.785   19.891 26.01296 35.95975 
1 1 1   -9   36   18 o   33.835   15.050  -3.4874   25.564 -18.3040   44.239   3.9409   31.324   40.184   18.606   39.289   17.092 0.8949738 25.26531 
1 1 1   -9   36   19 o   54.351   18.343   42.864   29.536   44.216   45.231   41.858   39.000   56.727   22.123   54.946   20.767 1.780788 30.34281 
1 1 1   -9   36   20 o   65.323   22.391   67.256   44.019   69.911   46.098   39.805  148.231   66.284   22.903   69.179   32.678 -2.895836 39.90504 
1 1 1   -9   36   21 f   45.355   20.394  -2.3204   48.318   13.982   50.946 -148.2088  152.405   49.900   21.751   56.839   28.198 -6.939358 35.61289 
1 1 1   -9   36   22 o   75.046   17.716   83.150   32.667   60.892   46.114  105.571   46.282   63.122   22.806   81.462   22.162 -18.34034 31.80074 
1 1 1   -9   36   23 o   34.185   15.288  -5.4955   26.765   8.7400   38.880 -18.3178   36.900   44.401   19.179   36.906   17.055 7.494896 25.66494 
1 1 1   -9   36   24 o  118.068   13.807  191.014   39.940  166.876   52.300  224.792   61.866  104.766   20.725  121.542   21.152 -16.77591 29.61270 
1 1 1   -9   36   25 o  122.374   13.542  204.301   40.688  231.742   53.474  166.566   62.707  127.216   17.280  100.422   25.080 26.79379 30.45664 
1 1 1   -9   36   26 o   47.311   18.011   27.035   29.470   38.051   38.675   11.782   45.508   53.955   20.611   47.821   20.702 6.133892 29.21268 
1 1 1   -9   36   27 o   65.005   18.522   63.007   31.524   51.955   40.260   80.522   50.682   59.580   21.335   70.659   24.027 -11.07854 32.13233 
1 1 1   -9   36   28 o   58.093   18.645   49.506   30.657   80.324   38.658  -2.7198   50.325   72.226   20.488   46.252   20.803 25.97437 29.19785 
1 1 1   -9   36   29 o   46.585   18.069   25.001   30.047   32.979   37.331   10.325   50.633   51.713   20.118   49.168   21.552 2.544914 29.48202 
1 1 1   -9   36   30 o  101.274   20.445  155.787   49.923  166.152   74.885  147.494   66.979   95.446   28.920   91.605   27.260 3.840317 39.74234 
1 1 1   -9   36   31 o   46.769   19.961   14.344   41.181 -58.8003   65.008   63.370   53.222   42.953   20.658   64.250   24.265 -21.29676 31.86763 
1 1 1   -9   36   32 o   64.423   18.567   62.428   31.505   72.530   38.397   41.616   55.113   68.262   20.714   57.845   23.769 10.41672 31.52842 
1 1 1   -9   36   33 o  102.756   14.794  147.911   36.866  124.797   44.772  196.586   64.972   89.961   20.399  109.305   24.419 -19.34412 31.81842 
1 1 1   -9   36   34 o   68.945   18.180   71.665   31.748   59.759   37.615  101.153   59.196   62.178   20.699   75.960   25.966 -13.78271 33.20691 
1 1 1   -9   37    7 o   58.768   25.832   89.860   73.200  132.745   82.284 -72.8491  160.274   65.340   28.059   49.189   24.973 16.15075 37.56254 
1 1 1   -9   37    8 o   80.846   29.670  183.546   78.490  208.644   89.702  101.555  162.132   81.238   31.301   57.906   28.788 23.33229 42.52680 
1 1 1   -9   37    9 o   51.496   23.391   37.237   65.497   58.889   72.510 -58.7285  152.655   55.597   24.992   51.546   25.954 4.051437 36.03053 
1 1 1   -9   37   10 o   50.536   23.007   28.395   63.831   3.9634   70.773  134.936  147.791   47.927   22.621   63.610   30.731 -15.68236 38.15880 
1 1 1   -9   37   11 o   53.383   23.783   40.164   64.101   61.982   71.513 -49.0274  144.588   57.977   25.508   53.365   26.635 4.612392 36.87915 
1 1 1   -9   37   12 o   38.283   15.611   15.002   23.547  137.802   60.615  -6.8231   25.554   81.766   26.215   31.890   14.534 49.87610 29.97427 
1 1 1   -9   37   13 o   60.114   18.360   58.454   30.095   61.342   62.603   57.585   34.321   59.113   24.891   58.839   19.773 0.2743073 31.78930 
1 1 1   -9   37   14 o   37.167   15.622   10.307   24.588   60.860   56.233  -1.6427   27.340   59.431   24.167   34.614   15.468 24.81694 28.69361 
1 1 1   -9   37   15 o   47.411   17.338   32.054   26.767   51.555   54.511   25.858   30.726   57.294   23.602   45.512   18.084 11.78201 29.73396 
1 1 1   -9   37   16 o   47.113   18.259   29.425   30.660 -62.4995   93.987   40.372   32.435   48.481   23.668   52.003   19.075 -3.522118 30.39746 
1 1 1   -9   37   17 o   38.684   16.494   9.0024   28.073   62.001   89.579   3.2306   29.562   62.819   28.041   37.549   16.463 25.26978 32.51636 
1 1 1   -9   37   18 o   73.420   17.922   82.925   32.571  107.745   54.644   69.247   40.564   76.936   24.914   64.647   21.494 12.28983 32.90427 
1 1 1   -9   37   19 o   36.435   15.634   5.6592   25.506   67.659   45.369 -22.9915   30.841   63.726   22.667   31.917   15.024 31.80843 27.19392 
1 1 1   -9   37   20 o   57.458   18.116   50.317   29.040   80.934   47.534   32.085   36.681   68.854   23.270   50.036   19.798 18.81800 30.55228 
1 1 1   -9   37   21 o   72.306   18.166   79.991   32.759   53.812   49.024  101.111   44.033   59.276   23.056   78.470   21.728 -19.19448 31.68084 
1 1 1   -9   37   22 o   47.234   17.957   28.774   29.270   18.645   43.920   36.867   39.259   48.003   20.554   52.474   20.570 -4.470924 29.07916 
1 1 1   -9   37   23 o   41.041   19.123 -20.5200   47.881 -19.5395   49.718 -33.0612  177.811   41.952   19.527   64.085   31.543 -22.13370 37.09810 
1 1 1   -9   37   24 o   93.213   18.878  131.968   42.435  199.176   65.821   84.167   55.511  108.240   24.874   69.728   25.044 38.51241 35.29694 
1 1 1   -9   37   25 o   38.092   16.477   4.7148   28.782   4.8585   40.480   4.5678   40.931   43.384   19.135   43.492   19.209 -0.1077385 27.11276 
1 1 1   -9   37   26 o   46.632   18.107   26.429   30.198   36.748   40.518   13.534   45.293   52.893   20.846   47.314   20.568 5.579277 29.28466 
1 1 1   -9   37   27 o   54.296   18.668   43.370   30.606   57.042   41.041   26.241   45.938   60.546   21.556   50.867   21.366 9.679562 30.35059 
1 1 1   -9   37   28 o   90.706   16.636  120.152   36.294  127.722   46.863  108.806   57.372   89.518   21.277   78.269   25.540 11.24863 33.24141 
1 1 1   -9   37   29 o   57.631   19.094   50.348   32.021   47.656   40.277   54.971   52.792   56.765   21.176   60.329   23.789 -3.564037 31.84832 
1 1 1   -9   37   30 o   53.597   18.956   41.960   31.686   32.354   39.403   59.540   53.303   51.032   20.413   61.659   24.025 -10.62763 31.52605 
1 1 1   -9   37   31 o  124.259   13.857  215.029   42.265  226.842   52.855  194.082   70.385  123.998   17.560  103.623   26.947 20.37555 32.16413 
1 1 1   -9   37   32 o  118.134   19.898  215.316   56.612  195.264   84.834  231.416   76.014   96.778   31.012  113.057   27.245 -16.27866 41.27987 
1 1 1   -9   38   11 o   50.954   23.332   42.316   66.880   65.641   73.676 -66.9044  159.430   54.904   24.888   49.756   25.223 5.148041 35.43450 
1 1 1   -9   38   12 o   47.222   22.060   15.418   64.363 -24.9921   69.855  242.504  165.594   43.167   20.920   66.369   32.176 -23.20251 38.37894 
1 1 1   -9   38   13 o   48.816   22.693   19.651   66.801   39.296   73.181 -78.5085  163.584   52.460   24.163   51.500   26.044 0.9594765 35.52650 
1 1 1   -9   38   14 o   44.035   16.954   27.651   26.302   75.095   61.110   16.863   29.139   60.044   24.885   40.463   17.007 19.58131 30.14178 
1 1 1   -9   38   15 o   16.759   8.4415 -47.2874   16.236 -139.6772  110.434 -45.2464   16.414   44.179   22.223   17.177   8.6305 27.00147 23.83974 
1 1 1   -9   38   16 o   38.730   16.148   14.097   25.951  -1.2822   57.238   18.077   29.115   45.054   20.965   41.309   17.153 3.745327 27.08835 
1 1 1   -9   38   17 o   49.301   18.017   37.070   28.901   47.810   56.146   33.199   33.710   54.999   23.386   48.182   19.006 6.816353 30.13528 
1 1 1   -9   38   18 o   47.436   17.699   32.748   28.141   51.566   54.503   25.908   32.861   56.231   23.420   45.529   18.490 10.70164 29.83857 
1 1 1   -9   38   19 o   17.522   8.8697 -62.5995   19.269 -28.9327   85.144 -64.4168   19.782   48.723   23.486   17.723   8.9733 31.00050 25.14146 
1 1 1   -9   38   20 o   47.365   17.703   31.937   28.175   90.745   50.842   5.8722   33.848   69.654   24.054   39.804   17.529 29.85063 29.76329 
1 1 1   -9   38   21 o   37.492   16.049   8.1609   26.763   31.461   46.891  -3.0972   32.594   50.744   21.464   36.971   16.675 13.77356 27.18008 
1 1 1   -9   38   22 o   43.041   17.320   21.075   28.550   23.443   47.328   19.720   35.797   48.907   21.142   44.800   18.841 4.106800 28.31938 
1 1 1   -9   38   23 o   50.772   18.441   38.233   30.209   96.237   48.124   0.5128   38.808   73.308   23.343   40.715   18.295 32.59355 29.65804 
1 1 1   -9   38   24 o   36.450   16.119   1.0581   28.910   25.918   44.741 -16.7607   37.879   49.155   20.888   36.625   17.047 12.52946 26.96113 
1 1 1   -9   38   25 o   94.060   23.076  152.350   53.794  154.916   55.522  113.043  217.311   94.145   23.648   69.173   34.202 24.97153 41.58149 
1 1 1   -9   38   26 o   45.471   20.580   3.2903   50.157   8.3736   51.619 -82.6463  212.242   46.934   21.093   61.045   30.720 -14.11082 37.26418 
1 1 1   -9   38   27 o  100.770   16.054  149.542   39.042  167.921   52.710  127.201   58.113  100.980   21.559   82.262   25.578 18.71797 33.45198 
1 1 1   -9   38   28 o   83.628   18.219  108.339   36.971  105.202   48.955  112.502   56.402   77.039   23.392   77.375   25.326 -0.3360977 34.47601 
1 1 1   -8  -39    1 f   44.412   17.940   36.553   30.759   44.279  164.734   36.274   31.310   47.061   24.024   44.283   18.023 2.778080 30.03272 
1 1 1   -8  -38    1 o   40.128   16.586   21.239   27.038   75.527  158.555   19.613   27.440   53.433   26.843   39.615   16.568 13.81806 31.54470 
1 1 1   -8  -38    2 o   97.807   21.399  186.446   50.812  100.751  172.593  194.579   53.169   52.107   26.396   98.648   22.128 -46.54054 34.44448 
1 1 1   -8  -38    3 o   25.956   12.300 -14.0501   21.314 -168.0310  175.376 -11.7417   21.473   43.253   22.239   26.604   12.527 16.64895 25.52495 
1 1 1   -8  -37    1 o   29.868   13.493  -3.8243   21.441  143.337   74.080 -17.2787   22.399   74.353   28.496   26.892   12.703 47.46083 31.19936 
1 1 1   -8  -37    2 o   49.273   18.109   40.357   29.254 -31.1327  159.746   42.838   29.758   51.952   26.207   50.381   18.302 1.570965 31.96563 
1 1 1   -8  -37    3 o   40.758   16.623   22.334   26.705  107.739  164.214   20.014   27.065   55.934   27.988   39.946   16.559 15.98796 32.51928 
1 1 1   -8  -37    4 o   58.218   19.657   65.854   33.918   21.903  179.995   67.472   34.537   50.591   25.760   58.711   19.835 -8.119820 32.51194 
1 1 1   -8  -37    5 f   38.749   16.138   20.663   25.877  114.359  183.067   18.753   26.140   50.982   25.961   38.093   16.065 12.88896 30.52962 
1 1 1   -8  -36    1 o   44.398   16.421   27.518   24.118   49.011   71.511   24.759   25.619   57.008   25.273   43.396   16.726 13.61261 30.30675 
1 1 1   -8  -36    2 o   66.508   17.617   71.137   29.724  141.273   74.187   57.725   32.442   76.752   28.718   58.664   19.208 18.08858 34.54949 
1 1 1   -8  -36    3 o   60.953   18.225   62.054   29.885   70.623   75.951   60.484   32.508   58.746   26.045   59.338   19.216 -0.5922127 32.36645 
1 1 1   -8  -36    4 o   62.269   19.352   68.581   33.269 -51.4160  173.996   73.135   33.894   52.652   26.653   64.266   19.453 -11.61415 32.99706 
1 1 1   -8  -36    5 o   41.546   16.704   23.861   26.531 -233.7991  173.279   30.047   26.848   45.775   23.463   44.220   17.100 1.554779 29.03351 
1 1 1   -8  -36    6 f   35.501   15.202   11.398   24.029 -36.9488  181.886   12.257   24.242   49.622   25.323   35.891   15.316 13.73130 29.59502 
1 1 1   -8  -35    1 o  128.064   28.254  305.316   87.931  305.316   87.931   0.0000   0.0000  128.064   28.254  ?   ?  0.000000 28.25364 
1 1 1   -8  -35    2 o   33.190   14.108   5.2813   20.422   82.033   68.486  -2.2094   21.395   65.809   26.704   31.059   13.794 34.75067 30.05636 
1 1 1   -8  -35    3 o   65.868   17.783   68.642   29.933   88.852   72.392   64.474   32.875   65.914   27.181   62.765   19.193 3.148849 33.27446 
1 1 1   -8  -35    4 o   84.973   16.816  111.413   34.420  179.710   77.885   94.837   38.370   87.327   29.785   74.872   20.100 12.45576 35.93260 
1 1 1   -8  -35    5 o   85.124   19.899  122.648   41.540   22.394  174.475  128.672   42.770   58.054   29.018   87.057   20.083 -29.00336 35.29002 
1 1 1   -8  -35    6 o   73.678   19.428   93.931   36.255  308.233  183.549   85.231   36.983   70.716   34.184   69.055   20.179 1.661797 39.69566 
1 1 1   -8  -35    7 o   73.553   19.734   97.026   37.000  294.558  189.205   89.172   37.728   65.467   32.284   69.339   20.415 -3.872139 38.19696 
1 1 1   -8  -35    8 o   52.050   26.548   23.972  197.719   23.972  197.719   0.0000   0.0000   52.050   26.548  ?   ?  0.000000 26.54817 
1 1 1   -8  -34    1 o   58.184   17.075   49.463   26.430   71.078   66.919   45.468   28.770   67.338   26.710   55.903   18.075 11.43487 32.25100 
1 1 1   -8  -34    2 o   72.331   16.856   77.208   29.882   81.451   68.095   76.197   33.255   68.908   27.067   70.740   18.584 -1.832245 32.83258 
1 1 1   -8  -34    3 o   56.700   25.308   29.293   72.956   29.293   72.956   0.0000   0.0000   56.700   25.308  ?   ?  0.000000 25.30786 
1 1 1   -8  -34    4 o   54.774   17.115   45.528   25.982  102.510   69.491   36.267   28.014   71.713   27.572   49.927   17.806 21.78557 32.82175 
1 1 1   -8  -34    5 o   78.496   17.225   94.744   32.838  167.291   76.255   78.228   36.384   87.102   29.473   68.739   19.994 18.36290 35.61477 
1 1 1   -8  -34    6 o  137.954   14.944  278.574   50.657  338.444   91.183  251.847   60.925  128.616   29.073  123.870   20.407 4.746117 35.52040 
1 1 1   -8  -34    7 o   74.611   19.264   93.226   36.140  295.999  185.157   85.195   36.849   74.130   35.442   70.340   20.020 3.790276 40.70572 
1 1 1   -8  -34    8 o   38.320   15.857   15.331   24.753 -145.5290  187.783   18.176   24.971   51.379   26.176   39.539   16.094 11.84034 30.72831 
1 1 1   -8  -34    9 o   34.912   15.022   8.5498   23.666  166.472  201.640   6.3440   23.831   59.530   29.955   34.211   14.896 25.31887 33.45436 
1 1 1   -8  -33    1 o  126.952   14.100  217.488   43.946  252.470   80.731  202.758   52.387  126.082   26.483  119.787   18.076 6.295372 32.06404 
1 1 1   -8  -33    2 o   87.169   16.385  107.366   34.357   81.569   71.213  115.192   39.224   72.160   27.866   89.192   18.226 -17.03157 33.29685 
1 1 1   -8  -33    3 o  188.367   13.985  483.320   65.313  505.355   98.237  465.864   87.437  182.013   22.064  177.408   20.091 4.604568 29.84060 
1 1 1   -8  -33    4 o  153.504   27.018  401.772   99.787  401.772   99.787   0.0000   0.0000  153.504   27.018  ?   ?  0.000000 27.01846 
1 1 1   -8  -33    5 o  138.765   14.271  269.216   48.746  308.558   83.998  249.239   59.856  133.605   26.113  128.156   19.302 5.449066 32.47217 
1 1 1   -8  -33    6 o   95.663   15.837  133.599   36.509  193.426   76.191  115.769   41.595   98.363   29.026   85.349   19.885 13.01459 35.18418 
1 1 1   -8  -33    7 o  111.327   15.121  180.096   40.950  290.872   83.630  145.159   46.965  123.182   27.842   94.381   20.513 28.80022 34.58239 
1 1 1   -8  -33    8 o   67.982   19.060   75.824   33.662  142.657  191.480   73.693   34.194   67.383   33.079   66.713   19.377 0.6701355 38.33677 
1 1 1   -8  -33    9 o   62.121   18.669   64.142   31.300  499.902  198.215   52.998   31.698   89.319   40.617   56.442   19.002 32.87674 44.84272 
1 1 1   -8  -33   10 o   51.072   18.042   42.624   28.696  297.375  203.334   37.447   28.986   68.884   33.871   48.634   17.999 20.24976 38.35630 
1 1 1   -8  -32    1 o   67.260   16.487   62.860   27.477   89.468   63.406   56.707   30.489   77.661   26.859   63.611   18.245 14.04985 32.47021 
1 1 1   -8  -32    2 f   94.022   16.694  122.334   37.761  287.867  154.455  111.811   38.943  116.762   41.791   89.045   18.130 27.71756 45.55437 
1 1 1   -8  -32    3 o   48.802   16.338   31.559   23.429   93.946   62.895   21.507   25.246   77.392   26.752   44.144   16.703 33.24748 31.53762 
1 1 1   -8  -32    4 o  105.053   15.282  152.199   38.916  131.743   72.967  160.330   46.005   87.600   28.813  106.011   18.023 -18.41166 33.98584 
1 1 1   -8  -32    5 o  216.760   13.150  631.764   70.843  796.543  105.445  496.191   95.645  236.325   18.003  181.678   21.499 54.64638 28.04100 
1 1 1   -8  -32    6 o  126.665   15.620  225.932   48.361  223.860   91.336  226.740   57.008  106.642   31.855  123.649   19.076 -17.00752 37.13042 
1 1 1   -8  -32    7 o  163.608   13.750  370.075   55.656  475.911   93.001  311.022   69.469  173.625   21.940  142.583   20.066 31.04228 29.73194 
1 1 1   -8  -32    8 o  129.935   14.956  240.889   47.644  275.854   87.337  226.075   56.848  119.099   29.515  120.924   19.488 -1.824623 35.36848 
1 1 1   -8  -32    9 o   89.296   19.345  126.691   41.890  -0.1257  191.882  133.037   42.926   62.686   31.189   91.541   19.382 -28.85499 36.72086 
1 1 1   -8  -32   10 o  112.002   18.005  194.823   48.652  542.166  204.495  173.983   50.090   97.729   43.060  103.238   20.153 -5.509262 47.54304 
1 1 1   -8  -32   11 o   46.231   17.542   30.934   27.896 -155.8674  206.269   34.414   28.155   54.276   27.631   47.836   17.732 6.439548 32.83139 
1 1 1   -8  -32   12 o   42.401   16.860   23.840   26.724   0.0000   0.0000   23.840   26.724  ?   ?    42.401   16.860 0.000000 16.86000 
1 1 1   -8  -31    1 o  148.090   12.893  285.246   47.203  353.171   77.282  244.827   59.615  160.916   19.640  134.474   18.222 26.44202 26.79107 
1 1 1   -8  -31    2 o  180.135   13.549  424.449   60.502  431.183   91.632  419.244   80.558  175.945   21.289  175.540   18.664 0.4050903 28.31128 
1 1 1   -8  -31    3 o   50.530   17.152   32.815   25.826 -91.3668  154.129   36.402   26.197   67.649   32.342   52.526   17.264 15.12228 36.66095 
1 1 1   -8  -31    4 o   81.090   15.411   90.097   30.066  159.908   66.340   72.051   33.729  101.795   26.003   71.126   18.731 30.66913 32.04713 
1 1 1   -8  -31    5 f  178.855   15.154  431.672   67.046  303.021   97.700  546.186   92.176  136.187   29.575  197.322   18.939 -61.13568 35.11960 
1 1 1   -8  -31    6 o  119.297   14.455  193.460   42.183  208.297   76.438  186.963   50.584  112.748   27.414  114.589   18.293 -1.840111 32.95682 
1 1 1   -8  -31    7 o   90.188   30.767  150.861   83.106  150.861   83.106   0.0000   0.0000   90.188   30.767  ?   ?  0.000000 30.76690 
1 1 1   -8  -31    8 f   83.429   16.484  100.415   33.124  132.738   74.234   92.380   37.013   84.390   29.069   78.162   19.121 6.228020 34.79402 
1 1 1   -8  -31    9 o  121.371   14.900  207.657   44.211  244.608   83.858  193.433   52.029  114.255   29.262  113.200   19.084 1.054993 34.93553 
1 1 1   -8  -31   10 o   28.539   12.808  -4.9427   18.957 -22.8723   73.700  -3.6724   19.617   48.568   22.973   29.469   13.141 19.09835 26.46531 
1 1 1   -8  -31   11 o   82.198   19.613  108.577   39.697   0.0000   0.0000  108.577   39.697  ?   ?    82.198   19.613 0.000000 19.61312 
1 1 1   -8  -31   12 o  100.279   19.134  160.554   46.166  330.263  209.630  151.904   47.327   78.030   37.414   96.034   20.366 -18.00419 42.59842 
1 1 1   -8  -31   13 o   49.284   18.034   37.503   28.967 -129.5596  216.648   40.544   29.230   55.496   28.258   50.707   18.177 4.788559 33.59954 
1 1 1   -8  -30    1 o  133.443   13.196  230.878   43.397  276.820   72.725  205.472   54.081  142.472   21.077  123.865   18.012 18.60709 27.72523 
1 1 1   -8  -30    2 o  115.859   14.095  175.922   39.939  181.887   70.678  173.124   48.409  112.233   25.763  113.454   17.661 -1.220947 31.23525 
1 1 1   -8  -30    3 o  109.469   14.620  158.375   38.967  139.994   69.558  166.783   47.042   97.058   27.464  111.105   17.537 -14.04650 32.58573 
1 1 1   -8  -30    4 o   67.251   17.305   62.421   29.231   15.759   64.475   74.494   32.795   58.464   24.965   73.266   18.044 -14.80155 30.80295 
1 1 1   -8  -30    5 o   52.357   17.272   35.966   26.214  154.424  163.954   32.858   26.556   97.102   40.545   50.785   17.392 46.31697 44.11791 
1 1 1   -8  -30    6 o  205.083   13.656  554.854   69.538  601.126  103.073  516.200   94.207  207.169   20.180  192.148   19.923 15.02167 28.35760 
1 1 1   -8  -30    7 o  194.419   13.379  500.950   64.562  577.347   98.259  442.911   85.644  202.203   19.710  176.952   19.717 25.25096 27.87912 
1 1 1   -8  -30    8 o  135.041   27.019  292.374   87.931  292.374   87.931   0.0000   0.0000  135.041   27.019  ?   ?  0.000000 27.01859 
1 1 1   -8  -30    9 o   92.700   16.024  121.058   35.752  151.637   75.994  112.366   40.515   92.060   29.336   87.190   19.133 4.869728 35.02403 
1 1 1   -8  -30   10 o   75.170   17.621   83.470   32.502   66.892   78.282   86.923   35.727   66.903   27.983   75.896   18.917 -8.993301 33.77741 
1 1 1   -8  -30   11 o   85.040   17.540  107.601   36.011  107.643   85.198  107.592   39.735   74.203   29.898   83.513   19.420 -9.310692 35.65185 
1 1 1   -8  -30   12 o   82.735   19.065  106.799   38.579  564.627  213.079   91.283   39.228  109.832   46.068   75.137   20.388 34.69554 50.37766 
1 1 1   -8  -30   13 o   91.892   19.480  134.324   43.314 -47.5887  215.390  141.990   44.217   61.859   31.105   94.696   19.352 -32.83680 36.63371 
1 1 1   -8  -30   14 o   77.316   19.321   97.718   37.199  342.642  230.584   91.174   37.692   76.145   37.150   73.920   19.954 2.224510 42.17025 
1 1 1   -8  -29    1 o  299.862   14.102  1154.70  105.601  1209.65  138.726  1078.99  162.840  303.512   18.390  282.452   23.295 21.06067 29.67895 
1 1 1   -8  -29    2 o   67.754   26.398   46.949   64.353   46.949   64.353   0.0000   0.0000   67.754   26.398  ?   ?  0.000000 26.39809 
1 1 1   -8  -29    3 o  291.738   14.137  1097.29  102.991  1144.51  136.587  1035.06  156.798  294.007   18.701  275.583   22.994 18.42352 29.63905 
1 1 1   -8  -29    4 o  224.076   12.981  647.542   72.323  736.951  103.436  562.022  101.162  235.957   17.683  204.223   20.097 31.73427 26.76884 
1 1 1   -8  -29    5 o  211.151   13.607  578.833   71.363  594.959  102.529  563.679   99.389  209.710   19.813  204.140   19.743 5.569321 27.97069 
1 1 1   -8  -29    6 o  152.155   16.888  309.962   63.085  265.924  180.638  316.079   67.325  118.229   44.691  153.009   17.962 -34.78011 48.16536 
1 1 1   -8  -29    7 o  204.461   13.234  546.426   67.206  639.165  100.872  472.404   90.120  216.368   18.858  185.025   19.813 31.34325 27.35268 
1 1 1   -8  -29    8 o  137.921   14.111  252.882   47.917  270.564   83.185  244.102   58.619  133.972   25.801  132.958   18.128 1.013931 31.53228 
1 1 1   -8  -29    9 f  113.385   14.751  173.893   40.778  203.767   78.672  162.919   47.683  112.441   28.098  107.485   18.428 4.956627 33.60189 
1 1 1   -8  -29   11 o  115.422   29.867  236.156   86.746  236.156   86.746   0.0000   0.0000  115.422   29.867  ?   ?  0.000000 29.86713 
1 1 1   -8  -29   12 o   99.985   16.439  143.284   39.619  141.322   83.418  143.855   45.020   84.876   30.672   98.085   19.067 -13.20918 36.11575 
1 1 1   -8  -29   13 o  153.850   16.969  344.014   64.107  940.584  232.590  294.968   66.690  167.294   51.030  139.092   19.756 28.20239 54.72017 
1 1 1   -8  -29   14 o  135.385   18.497  278.270   60.898  303.134  231.646  276.423   63.118   81.145   39.018  133.707   19.476 -52.56160 43.60905 
1 1 1   -8  -29   15 o   44.528   16.827   26.369   25.604  179.022  223.066   24.331   25.775   71.235   35.113   43.627   16.787 27.60795 38.91996 
1 1 1   -8  -29   16 o  114.430   18.997  208.516   52.381  440.080  244.738  197.399   53.624   79.004   38.486  109.595   20.343 -30.59133 43.53123 
1 1 1   -8  -28    1 o  456.527   22.717  2772.54  258.976  2771.41  370.263  2773.62  362.360  439.237   34.022  440.841   33.159 -1.605042 47.50810 
1 1 1   -8  -28    2 o  237.885   14.830  729.737   87.656  797.398  132.575  677.185  116.840  244.210   21.975  225.587   20.981 18.62317 30.38269 
1 1 1   -8  -28    3 o  184.074   23.367  460.665  104.989  460.665  104.989   0.0000   0.0000  184.074   23.367  ?   ?  0.000000 23.36662 
1 1 1   -8  -28    4 o   72.648   26.938   62.874   64.986   62.874   64.986   0.0000   0.0000   72.648   26.938  ?   ?  0.000000 26.93771 
1 1 1   -8  -28    5 o  247.806   24.727  846.976  150.970  846.976  150.970   0.0000   0.0000  247.806   24.727  ?   ?  0.000000 24.72660 
1 1 1   -8  -28    6 o  163.103   25.003  373.607   98.590  373.607   98.590   0.0000   0.0000  163.103   25.003  ?   ?  0.000000 25.00319 
1 1 1   -8  -28    7 o   70.597   18.760   68.763   33.636   0.0000   0.0000   68.763   33.636  ?   ?    70.597   18.760 0.000000 18.75971 
1 1 1   -8  -28    8 o  220.339   13.429  631.836   73.539  748.648  110.007  537.460   98.880  235.392   18.873  198.107   20.273 37.28522 27.69839 
1 1 1   -8  -28    9 o   87.392   18.365  106.407   38.805   0.0000   0.0000  106.407   38.805  ?   ?    87.392   18.365 0.000000 18.36503 
1 1 1   -8  -28   10 o   79.284   28.679   94.586   72.952   94.586   72.952   0.0000   0.0000   79.284   28.679  ?   ?  0.000000 28.67877 
1 1 1   -8  -28   11 o   87.771   30.791  129.679   83.470  129.679   83.470   0.0000   0.0000   87.771   30.791  ?   ?  0.000000 30.79104 
1 1 1   -8  -28   12 o   56.641   17.512   45.437   27.284   39.554   71.228   46.449   29.537   62.418   26.431   57.242   18.294 5.176231 32.14474 
1 1 1   -8  -28   13 o  134.024   15.616  250.143   51.284  197.789   92.059  273.701   61.753  101.035   32.298  137.594   18.436 -36.55966 37.18912 
1 1 1   -8  -28   14 o  118.029   17.592  202.823   50.267  532.998  224.663  185.423   51.574  114.395   47.588  111.272   19.258 3.122856 51.33715 
1 1 1   -8  -28   15 o  107.887   18.835  176.307   48.899   62.665  225.775  181.900   50.088   71.018   35.067  109.432   19.019 -38.41299 39.89260 
1 1 1   -8  -28   16 o   46.715   17.474   29.525   27.465 -145.7585  225.761   32.158   27.670   60.545   30.615   47.975   17.615 12.56966 35.32113 
1 1 1   -8  -28   17 o  113.321   19.439  203.349   53.030   81.520  248.928  209.141   54.276   66.489   33.434  114.676   19.661 -48.18725 38.78639 
1 1 1   -8  -27    1 o  368.918   17.439  1758.29  160.662  2061.74  233.516  1485.54  221.388  393.166   23.898  330.575   27.056 62.59134 36.09844 
1 1 1   -8  -27    2 o  206.338   13.247  544.738   67.897  685.889  106.330  447.564   88.225  228.977   18.761  184.351   19.458 44.62532 27.02930 
1 1 1   -8  -27    3 f  156.409   13.294  314.226   51.430  389.282   86.488  273.166   63.969  171.068   20.665  143.993   18.196 27.07484 27.53428 
1 1 1   -8  -27    4 o  171.420   23.278  398.186   97.067  398.186   97.067   0.0000   0.0000  171.420   23.278  ?   ?  0.000000 23.27765 
1 1 1   -8  -27    5 o   71.039   16.691   67.883   29.107   75.668   65.084   65.937   32.543   76.957   27.172   69.809   18.406 7.148407 32.81946 
1 1 1   -8  -27    6 o  176.245   13.496  400.243   58.946  521.587   99.581  334.793   73.135  197.584   20.480  158.780   18.811 38.80421 27.80768 
1 1 1   -8  -27    7 o   84.453   15.694   95.128   31.879  182.102   71.735   73.725   35.586  113.023   25.963   73.404   19.196 39.61979 32.28827 
1 1 1   -8  -27    8 o  159.061   14.508  329.721   56.992  380.739  105.284  308.576   67.781  163.513   26.707  152.033   18.216 11.48053 32.32764 
1 1 1   -8  -27    9 o   45.246   17.042   21.066   26.209   0.0000   0.0000   21.066   26.209  ?   ?    45.246   17.042 0.000000 17.04181 
1 1 1   -8  -27   10 o   33.031   14.081   1.2170   20.449  155.966   72.786 -12.0442   21.307  101.564   27.860   29.133   13.275 72.43105 30.86082 
1 1 1   -8  -27   11 o  190.969   14.252  480.770   67.478  622.282  114.111  404.679   83.675  210.023   22.089  170.860   19.989 39.16272 29.79033 
1 1 1   -8  -27   12 o   72.785   29.136   68.386   80.337   68.386   80.337   0.0000   0.0000   72.785   29.136  ?   ?  0.000000 29.13623 
1 1 1   -8  -27   13 o   75.891   18.470   82.877   34.673  -1.1000   78.694  103.107   38.624   57.438   25.907   84.685   18.758 -27.24738 31.98547 
1 1 1   -8  -27   14 o   88.661   16.760  111.370   35.748   89.655   74.407  117.886   40.760   74.650   28.571   90.000   18.745 -15.34940 34.17134 
1 1 1   -8  -27   15 o  149.940   16.750  318.451   61.644  116.278   97.876  451.374   79.363   78.691   31.927  176.841   18.233 -98.15031 36.76604 
1 1 1   -8  -27   16 o   71.198   18.801   77.366   33.921  336.939  227.053   71.440   34.306   91.383   42.257   68.105   19.293 23.27763 46.45274 
1 1 1   -8  -27   17 o  126.669   18.753  242.749   57.526  186.607  243.268  246.074   59.206   76.210   37.387  126.933   19.285 -50.72289 42.06781 
1 1 1   -8  -27   18 o   75.217   19.677   90.975   37.383 -118.9858  247.972   95.858   37.815   62.126   31.490   77.393   19.558 -15.26641 37.06914 
1 1 1   -8  -26    1 o  223.936   19.828  656.217  109.732   0.0000   0.0000  656.217  109.732  ?   ?   223.936   19.828 0.000000 19.82767 
1 1 1   -8  -26    2 o  292.787   15.997  1102.86  116.516  1176.26  171.316  1039.68  158.937  297.644   23.233  279.953   22.936 17.69077 32.64710 
1 1 1   -8  -26    3 o  125.010   13.165  200.959   40.478  277.656   71.419  164.662   49.132  144.605   20.340  111.482   18.282 33.12277 27.34897 
1 1 1   -8  -26    4 o  151.824   13.207  295.718   49.574  360.234   82.762  259.618   61.908  164.770   20.562  140.538   18.058 24.23189 27.36561 
1 1 1   -8  -26    5 o  116.446   25.864  189.097   73.252  189.097   73.252   0.0000   0.0000  116.446   25.864  ?   ?  0.000000 25.86385 
1 1 1   -8  -26    6 o  100.393   14.200  131.419   34.605  283.826   71.741   85.204   39.505  145.829   20.247   79.117   19.988 66.71136 28.45110 
1 1 1   -8  -26    7 o  199.014   14.312  510.593   70.650  556.755  113.601  481.477   90.221  203.162   22.784  190.865   19.189 12.29707 29.78838 
1 1 1   -8  -26    8 o  277.725   14.390  994.222   99.457  1350.06  154.572  742.823  129.924  319.717   19.453  234.695   22.442 85.02122 29.69953 
1 1 1   -8  -26    9 o   66.252   26.846   36.655   69.110   36.655   69.110   0.0000   0.0000   66.252   26.846  ?   ?  0.000000 26.84587 
1 1 1   -8  -26   10 o  200.397   19.551  538.554   96.592   0.0000   0.0000  538.554   96.592  ?   ?   200.397   19.551 0.000000 19.55077 
1 1 1   -8  -26   11 o   97.961   16.232  128.762   38.318  121.914   82.508  130.645   43.267   90.768   30.658   97.787   18.394 -7.019203 35.75214 
1 1 1   -8  -26   12 o   79.461   16.937   86.636   32.580  119.926   74.490   78.761   36.229   89.079   29.103   74.976   19.251 14.10296 34.89408 
1 1 1   -8  -26   13 o  133.428   15.493  238.646   50.661  179.953   87.812  267.930   62.025  105.177   31.193  139.729   18.208 -34.55231 36.11870 
1 1 1   -8  -26   14 o   64.857   18.201   59.630   30.680   21.895   73.323   67.639   33.779   60.819   26.304   68.738   19.030 -7.918953 32.46587 
1 1 1   -8  -26   15 o  216.970   18.228  659.375   97.846  343.803  148.891  899.251  129.812  125.448   41.154  249.143   21.062 -123.6945 46.23030 
1 1 1   -8  -26   16 o   53.026   24.322 -10.2316   73.107 -10.2316   73.107   0.0000   0.0000   53.026   24.322  ?   ?  0.000000 24.32240 
1 1 1   -8  -26   17 o   66.003   19.615   66.385   34.695   0.0000   0.0000   66.385   34.695  ?   ?    66.003   19.615 0.000000 19.61454 
1 1 1   -8  -26   18 o   90.810   18.916  125.211   41.502  199.289  235.000  122.827   42.165   79.635   38.540   89.471   19.428 -9.835861 43.16005 
1 1 1   -8  -26   19 o   84.487   19.219  111.325   39.633  302.945  254.685  106.569   40.122   80.554   39.245   82.068   19.804 -1.513977 43.95887 
1 1 1   -8  -26   20 o   69.041   19.811   77.815   35.938 -315.8188  262.972   85.307   36.279   57.533   29.447   72.592   19.568 -15.05858 35.35603 
1 1 1   -8  -25    1 o  148.922   11.978  282.445   44.168  439.812   74.247  196.254   54.948  184.697   16.264  122.113   18.607 62.58364 24.71326 
1 1 1   -8  -25    2 o  258.613   15.154  856.796   97.438  875.819  143.308  840.441  132.878  257.624   22.502  253.082   21.221 4.541840 30.92986 
1 1 1   -8  -25    3 o  100.013   17.466  132.182   42.035   0.0000   0.0000  132.182   42.035  ?   ?   100.013   17.466 0.000000 17.46643 
1 1 1   -8  -25    4 o  243.540   14.357  759.183   86.925  849.019  130.075  686.688  116.848  254.351   20.658  228.576   20.695 25.77475 29.24102 
1 1 1   -8  -25    5 o  174.870   13.300  391.355   57.645  454.042   91.946  350.758   73.993  185.646   20.157  163.663   18.425 21.98312 27.30937 
1 1 1   -8  -25    6 o   72.553   16.301   70.259   28.814   95.455   60.585   62.893   32.756   83.867   26.123   68.477   18.651 15.39031 32.09785 
1 1 1   -8  -25    8 o  450.200   35.286  2939.29  393.520  2939.29  393.520   0.0000   0.0000  450.200   35.286  ?   ?  0.000000 35.28596 
1 1 1   -8  -25    9 o   73.226   17.433   72.312   31.419   82.827   73.024   69.924   34.805   80.497   28.744   71.818   19.082 8.679543 34.50107 
1 1 1   -8  -25   10 o   51.695   17.298   33.250   26.266   4.2439   66.106   38.688   28.622   57.994   25.029   55.126   18.042 2.868038 30.85381 
1 1 1   -8  -25   11 o  210.823   19.856  593.698  103.302   0.0000   0.0000  593.698  103.302  ?   ?   210.823   19.856 0.000000 19.85574 
1 1 1   -8  -25   12 o  272.293   18.661  986.464  126.121  618.891  185.406  1303.05  172.066  196.050   39.240  308.958   22.456 -112.9087 45.21121 
1 1 1   -8  -25   13 o   95.444   16.899  123.251   38.802   49.056   77.561  148.020   44.814   70.270   28.452  104.382   17.833 -34.11172 33.57848 
1 1 1   -8  -25   14 o   62.634   17.948   54.177   29.515   62.154   72.438   52.589   32.319   71.571   27.973   61.887   19.047 9.684086 33.84259 
1 1 1   -8  -25   15 o   94.442   30.620  144.759   82.522  144.759   82.522   0.0000   0.0000   94.442   30.620  ?   ?  0.000000 30.62019 
1 1 1   -8  -25   16 o  113.506   16.118  176.709   44.401  120.932   85.620  197.227   51.930   85.439   31.044  118.699   18.091 -33.26045 35.93092 
1 1 1   -8  -25   17 o   61.257   18.084   54.058   29.568   14.807   78.408   60.565   31.925   59.225   26.350   64.497   18.720 -5.272198 32.32264 
1 1 1   -8  -25   18 o   84.384   19.339  106.328   39.878   0.0000   0.0000  106.328   39.878  ?   ?    84.384   19.339 0.000000 19.33856 
1 1 1   -8  -25   19 o   86.023   20.409  114.645   43.181   0.0000   0.0000  114.645   43.181  ?   ?    86.023   20.409 0.000000 20.40889 
1 1 1   -8  -25   20 o  117.332   20.263  213.206   57.223   0.0000   0.0000  213.206   57.223  ?   ?   117.332   20.263 0.000000 20.26258 
1 1 1   -8  -25   21 f   57.151   18.800   50.736   31.065   45.673  271.388   50.803   31.270   68.592   34.545   57.169   18.865 11.42332 39.36065 
1 1 1   -8  -24    1 o   86.862   14.115   98.166   29.565  114.077   53.072   91.006   35.601   91.735   23.163   82.749   17.760 8.986259 29.18803 
1 1 1   -8  -24    2 o   91.623   14.122  109.049   31.272  121.196   55.413  103.372   37.881   94.390   23.578   88.254   17.803 6.135948 29.54420 
1 1 1   -8  -24    3 o  158.209   14.119  320.744   55.194  230.915   85.010  386.203   72.569  129.503   27.155  172.762   17.043 -43.25990 32.05989 
1 1 1   -8  -24    4 o  314.136   24.205  1308.84  188.414   0.0000   0.0000  1308.84  188.414  ?   ?   314.136   24.205 0.000000 24.20495 
1 1 1   -8  -24    5 o   92.372   15.043  111.576   33.505   83.895   60.464  123.843   40.251   80.041   26.224   96.807   17.284 -16.76573 31.40740 
1 1 1   -8  -24    6 o  153.248   17.713  306.427   66.538   0.0000   0.0000  306.427   66.538  ?   ?   153.248   17.713 0.000000 17.71338 
1 1 1   -8  -24    7 o   64.447   24.462   42.513   54.259   42.513   54.259   0.0000   0.0000   64.447   24.462  ?   ?  0.000000 24.46171 
1 1 1   -8  -24    8 o  312.390   26.062  1319.32  201.451  1319.32  201.451   0.0000   0.0000  312.390   26.062  ?   ?  0.000000 26.06187 
1 1 1   -8  -24    9 o  114.416   13.964  169.542   39.070  218.473   68.809  146.261   47.463  126.909   22.538  104.617   18.862 22.29246 29.38893 
1 1 1   -8  -24   10 o   78.865   16.997   83.338   32.486   36.625   63.158  100.144   37.882   65.130   25.912   86.298   18.154 -21.16791 31.63878 
1 1 1   -8  -24   11 o  133.551   14.712  231.679   48.250  179.826   82.098  259.040   59.636  111.739   29.125  140.271   17.398 -28.53238 33.92623 
1 1 1   -8  -24   12 o   72.612   19.052   71.811   34.978   0.0000   0.0000   71.811   34.978  ?   ?    72.612   19.052 0.000000 19.05161 
1 1 1   -8  -24   13 o  171.719   15.687  385.629   66.525  238.403  106.980  478.452   84.945  124.858   33.580  190.034   18.120 -65.17631 38.15714 
1 1 1   -8  -24   14 o   56.469   17.914   41.986   28.361 -13.1622   68.840   53.261   31.125   54.918   24.543   62.685   18.567 -7.767086 30.77449 
1 1 1   -8  -24   15 o  159.587   15.629  337.222   61.487  218.098  101.805  405.628   77.147  116.618   33.305  173.552   18.065 -56.93437 37.88944 
1 1 1   -8  -24   16 o  101.395   31.254  165.701   86.978  165.701   86.978   0.0000   0.0000  101.395   31.254  ?   ?  0.000000 31.25378 
1 1 1   -8  -24   17 o  153.514   15.616  317.721   59.030  245.984  102.461  353.361   72.220  119.782   33.137  159.726   18.446 -39.94324 37.92452 
1 1 1   -8  -24   18 o   36.120   14.957   7.2351   22.046   6.6965   73.949   7.2876   23.096   57.260   25.524   36.785   15.277 20.47527 29.74673 
1 1 1   -8  -24   19 o   46.043   17.157   25.500   26.427 -147.0136   79.149   47.145   28.036   40.534   20.145   57.346   17.755 -16.81213 26.85306 
1 1 1   -8  -24   20 o   92.526   19.408  128.395   43.413   0.0000   0.0000  128.395   43.413  ?   ?    92.526   19.408 0.000000 19.40842 
1 1 1   -8  -24   21 o   30.305   13.557  -4.9507   21.060   0.0000   0.0000  -4.9507   21.060  ?   ?    30.305   13.557 0.000000 13.55687 
1 1 1   -8  -24   22 o   90.248   21.187  131.323   46.932   0.0000   0.0000  131.323   46.932  ?   ?    90.248   21.187 0.000000 21.18723 
1 1 1   -8  -23    1 o  209.411   13.921  558.143   72.383  553.593  106.355  562.070   98.792  206.114   20.955  208.391   19.200 -2.276657 28.42081 
1 1 1   -8  -23    2 o  242.429   15.721  751.542   94.663  500.095  136.163  986.760  131.696  191.766   29.369  276.391   19.200 -84.62473 35.08825 
1 1 1   -8  -23    3 o   51.567   15.542   34.211   21.671   53.379   42.243   27.364   25.247   65.586   21.937   48.674   16.942 16.91112 27.71794 
1 1 1   -8  -23    4 o  144.143   14.078  266.363   50.027  150.378   76.143  354.463   66.361  104.262   28.452  165.821   16.234 -61.55940 32.75751 
1 1 1   -8  -23    5 o  133.214   17.240  231.104   56.006   0.0000   0.0000  231.104   56.006  ?   ?   133.214   17.240 0.000000 17.24026 
1 1 1   -8  -23    6 o   41.514   15.500   16.940   21.590 -18.6875   46.591   26.682   24.364   44.705   20.070   47.911   16.645 -3.206100 26.07377 
1 1 1   -8  -23    7 o   94.887   14.700  117.352   33.705  105.306   59.285  123.105   40.971   87.886   25.511   96.417   17.668 -8.530251 31.03126 
1 1 1   -8  -23    8 o  124.361   14.269  199.574   43.512  143.476   71.275  232.902   54.938  101.519   27.454  133.673   16.831 -32.15395 32.20281 
1 1 1   -8  -23    9 o  118.177   24.830  191.865   70.946  191.865   70.946   0.0000   0.0000  118.177   24.830  ?   ?  0.000000 24.82965 
1 1 1   -8  -23   10 o   71.698   16.527   68.677   28.983   85.160   57.782   63.136   33.502   79.896   25.593   68.634   18.932 11.26124 31.83448 
1 1 1   -8  -23   11 o   97.886   15.675  125.922   37.022   88.959   67.910  141.553   44.162   82.178   27.813  103.244   17.770 -21.06605 33.00533 
1 1 1   -8  -23   12 o  291.553   18.497  1111.15  133.973  757.462  194.797  1428.60  184.551  227.419   35.457  327.079   22.736 -99.66042 42.12059 
1 1 1   -8  -23   13 o  197.934   15.320  507.534   75.133  411.427  116.968  575.041   98.031  170.797   28.423  208.783   19.011 -37.98662 34.19493 
1 1 1   -8  -23   14 o  105.933   18.426  150.831   46.974   0.0000   0.0000  150.831   46.974  ?   ?   105.933   18.426 0.000000 18.42620 
1 1 1   -8  -23   15 o  108.623   16.642  157.219   43.704   54.817   83.166  196.286   51.369   73.896   29.622  121.244   17.471 -47.34763 34.39048 
1 1 1   -8  -23   16 o  105.920   16.558  150.492   42.363   72.213   83.291  177.809   49.202   77.216   30.047  114.758   17.741 -37.54251 34.89362 
1 1 1   -8  -23   17 f   81.758   29.659   96.085   78.103   96.085   78.103   0.0000   0.0000   81.758   29.659  ?   ?  0.000000 29.65858 
1 1 1   -8  -23   18 o   60.099   17.884   50.088   28.829  112.447   77.026   39.930   31.089   85.091   29.594   55.133   18.818 29.95761 35.07004 
1 1 1   -8  -23   19 o   42.694   16.336   18.992   24.321   87.095   77.725   11.600   25.607   76.319   29.203   40.081   16.305 36.23734 33.44657 
1 1 1   -8  -23   20 f   63.871   18.338   59.155   30.784   30.492   82.868   63.744   33.157   63.002   27.594   66.003   19.055 -3.000416 33.53416 
1 1 1   -8  -23   21 o   48.721   17.715   30.767   27.886   0.0000   0.0000   30.767   27.886  ?   ?    48.721   17.715 0.000000 17.71452 
1 1 1   -8  -23   22 o   44.455   17.104   23.080   26.752   0.0000   0.0000   23.080   26.752  ?   ?    44.455   17.104 0.000000 17.10361 
1 1 1   -8  -23   23 o   45.655   17.376   26.114   27.423   0.0000   0.0000   26.114   27.423  ?   ?    45.655   17.376 0.000000 17.37561 
1 1 1   -8  -22    1 o  154.821   13.119  304.851   50.245  274.154   75.845  328.860   67.075  144.455   21.696  159.872   17.065 -15.41731 27.60277 
1 1 1   -8  -22    2 o   91.472   22.452  112.388   50.905  112.388   50.905   0.0000   0.0000   91.472   22.452  ?   ?  0.000000 22.45190 
1 1 1   -8  -22    3 o  139.321   13.507  247.927   46.403  177.594   70.615  301.380   61.561  114.434   25.376  152.991   16.367 -38.55695 30.19685 
1 1 1   -8  -22    4 o  116.413   13.913  174.155   39.645  100.244   62.042  225.162   51.540   86.669   26.337  132.049   15.953 -45.37968 30.79223 
1 1 1   -8  -22    5 o  136.456   14.393  239.012   48.306  117.000   74.954  325.691   63.175   93.246   29.058  159.014   16.133 -65.76884 33.23624 
1 1 1   -8  -22    7 o  128.997   13.353  213.301   42.392  217.609   68.711  210.654   53.866  127.486   22.401  127.048   17.438 0.4374619 28.38810 
1 1 1   -8  -22    8 o   98.322   15.369  126.156   36.500   28.357   60.700  181.545   45.681   62.705   25.247  118.189   15.879 -55.48413 29.82530 
1 1 1   -8  -22    9 f  234.484   15.233  705.021   88.712  627.951  130.888  770.508  120.652  216.710   24.624  242.885   20.072 -26.17548 31.76798 
1 1 1   -8  -22   10 o  150.597   14.147  291.381   52.580  224.923   82.584  336.687   68.187  127.560   26.779  160.936   17.235 -33.37579 31.84539 
1 1 1   -8  -22   11 o   58.456   23.865   21.271   55.106   21.271   55.106   0.0000   0.0000   58.456   23.865  ?   ?  0.000000 23.86457 
1 1 1   -8  -22   12 o  216.089   15.777  602.343   84.547  437.619  126.966  733.579  113.327  176.801   29.818  236.740   19.338 -59.93942 35.54033 
1 1 1   -8  -22   13 o   78.937   16.690   83.208   31.871  104.607   65.886   76.671   36.415   87.299   27.250   75.291   19.283 12.00784 33.38292 
1 1 1   -8  -22   14 o  101.432   15.200  134.898   37.314  185.252   73.389  117.342   43.333  114.880   26.167   93.211   19.254 21.66901 32.48709 
1 1 1   -8  -22   15 o  107.946   18.432  156.042   47.901   0.0000   0.0000  156.042   47.901  ?   ?   107.946   18.432 0.000000 18.43184 
1 1 1   -8  -22   16 o   64.391   18.378   56.009   31.009  -4.5115   70.912   70.318   34.480   57.810   25.418   71.749   18.959 -13.93877 31.71001 
1 1 1   -8  -22   17 o   58.189   18.081   45.001   29.044   19.385   73.456   49.748   31.621   63.028   26.773   60.949   18.854 2.079357 32.74584 
1 1 1   -8  -22   18 o   59.655   18.413   48.111   30.177   25.712   74.511   52.506   33.005   63.966   27.057   62.133   19.269 1.832493 33.21713 
1 1 1   -8  -22   19 o   68.825   19.045   66.640   33.841 -28.5334   79.760   87.535   37.372   55.176   25.344   78.745   19.182 -23.56831 31.78518 
1 1 1   -8  -22   20 o   89.213   18.211  112.127   39.199 -21.2195   84.688  148.484   44.221   56.920   26.134  103.244   17.794 -46.32416 31.61697 
1 1 1   -8  -22   21 o   75.982   18.111   83.042   33.879   72.426   84.642   85.067   36.969   72.363   29.563   76.294   19.370 -3.930527 35.34370 
1 1 1   -8  -22   22 o   57.842   18.811   48.121   31.133   0.0000   0.0000   48.121   31.133  ?   ?    57.842   18.811 0.000000 18.81103 
1 1 1   -8  -22   23 o   39.720   16.206   12.883   25.393   0.0000   0.0000   12.883   25.393  ?   ?    39.720   16.206 0.000000 16.20599 
1 1 1   -8  -22   24 o   40.648   16.405   15.515   25.698   0.0000   0.0000   15.515   25.698  ?   ?    40.648   16.405 0.000000 16.40535 
1 1 1   -8  -21    1 o   56.139   15.389   41.135   22.218  107.836   42.714   16.395   26.014   90.303   19.511   43.853   16.868 46.44969 25.79177 
1 1 1   -8  -21    2 o  132.114   12.895  222.165   42.000  208.294   64.603  232.321   55.276  125.830   21.321  134.251   16.860 -8.420540 27.18154 
1 1 1   -8  -21    3 o  225.774   21.014  660.055  117.117  660.055  117.117   0.0000   0.0000  225.774   21.014  ?   ?  0.000000 21.01403 
1 1 1   -8  -21    4 o  296.029   22.967  1140.91  168.451   0.0000   0.0000  1140.91  168.451  ?   ?   296.029   22.967 0.000000 22.96686 
1 1 1   -8  -21    5 o  104.076   22.565  145.409   56.955  145.409   56.955   0.0000   0.0000  104.076   22.565  ?   ?  0.000000 22.56488 
1 1 1   -8  -21    6 o  138.941   13.470  246.694   46.149  195.703   70.770  284.419   60.873  120.452   24.365  148.416   16.715 -27.96390 29.54753 
1 1 1   -8  -21    7 o  359.604   18.753  1666.11  167.822  1601.73  240.578  1727.13  234.221  346.038   28.083  360.965   26.162 -14.92651 38.38089 
1 1 1   -8  -21    8 o  222.442   19.751  643.325  108.574   0.0000   0.0000  643.325  108.574  ?   ?   222.442   19.751 0.000000 19.75150 
1 1 1   -8  -21    9 o  113.708   13.511  166.307   37.614  197.949   63.813  149.460   46.563  121.677   21.802  106.459   18.167 15.21774 28.37930 
1 1 1   -8  -21   10 f   88.542   14.658  102.360   31.276  148.978   57.591   82.861   37.247  104.876   22.652   78.593   19.153 26.28357 29.66435 
1 1 1   -8  -21   11 o  182.895   14.858  429.348   67.273  287.842  101.529  540.094   89.819  143.765   29.275  204.119   17.799 -60.35388 34.26149 
1 1 1   -8  -21   12 o  141.081   23.865  268.949   81.081  268.949   81.081   0.0000   0.0000  141.081   23.865  ?   ?  0.000000 23.86546 
1 1 1   -8  -21   13 o  141.336   14.433  257.471   50.227  211.776   82.962  283.911   63.106  123.146   27.655  147.457   17.478 -24.31059 32.71471 
1 1 1   -8  -21   14 o   46.566   16.810   23.797   25.044 -16.0032   59.804   32.261   27.579   51.658   22.996   51.789   17.724 -0.1312256 29.03329 
1 1 1   -8  -21   15 o  114.813   15.258  171.926   42.662  140.412   77.790  185.482   51.019   99.590   29.312  118.465   17.796 -18.87595 34.29171 
1 1 1   -8  -21   16 o  104.231   18.442  145.368   46.246   0.0000   0.0000  145.368   46.246  ?   ?   104.231   18.442 0.000000 18.44250 
1 1 1   -8  -21   17 o  168.191   15.649  368.720   64.973  234.392  105.777  450.108   82.336  124.848   33.311  184.715   18.082 -59.86785 37.90198 
1 1 1   -8  -21   18 o   35.602   15.129   1.7402   23.470 -111.4437   70.804   15.712   24.877   42.589   20.736   42.282   16.430 0.3071136 26.45638 
1 1 1   -8  -21   19 o  116.451   16.349  181.129   46.233  106.763   89.621  208.096   53.968   86.732   31.723  124.181   17.922 -37.44926 36.43574 
1 1 1   -8  -21   20 o  125.327   31.687  249.890   99.225  249.890   99.225   0.0000   0.0000  125.327   31.687  ?   ?  0.000000 31.68666 
1 1 1   -8  -21   21 o   70.871   18.606   71.169   33.347   9.8075   82.614   83.113   36.448   61.630   27.251   76.394   19.144 -14.76397 33.30342 
1 1 1   -8  -21   22 f   56.835   18.181   44.911   29.167 -11.1701   82.236   52.981   31.195   56.995   26.012   61.082   18.699 -4.087093 32.03570 
1 1 1   -8  -21   23 o  151.091   19.142  328.085   70.604   0.0000   0.0000  328.085   70.604  ?   ?   151.091   19.142 0.000000 19.14202 
1 1 1   -8  -21   24 o   86.853   19.597  113.182   41.492   0.0000   0.0000  113.182   41.492  ?   ?    86.853   19.597 0.000000 19.59655 
1 1 1   -8  -21   25 o   46.886   17.718   27.479   28.387   0.0000   0.0000   27.479   28.387  ?   ?    46.886   17.718 0.000000 17.71792 
1 1 1   -8  -21   26 o   77.402   20.070   94.534   39.118   0.0000   0.0000   94.534   39.118  ?   ?    77.402   20.070 0.000000 20.07032 
1 1 1   -8  -20    1 o  331.028   17.145  1390.14  141.241  1408.36  202.214  1372.79  197.365  330.435   24.684  326.335   24.395 4.099915 34.70531 
1 1 1   -8  -20    2 o  159.042   13.245  320.734   52.125  264.434   77.287  367.709   70.597  142.127   22.527  169.600   16.894 -27.47292 28.15826 
1 1 1   -8  -20    3 o  199.854   18.746  512.475   92.463   0.0000   0.0000  512.475   92.463  ?   ?   199.854   18.746 0.000000 18.74597 
1 1 1   -8  -20    4 f  185.417   20.117  444.381   91.654  444.381   91.654   0.0000   0.0000  185.417   20.117  ?   ?  0.000000 20.11748 
1 1 1   -8  -20    5 o   92.615   14.207  110.909   31.808   88.369   51.523  124.790   40.433   81.730   23.799   97.674   17.205 -15.94424 29.36679 
1 1 1   -8  -20    6 o  331.503   17.497  1405.25  144.329  1377.04  206.906  1431.99  201.428  323.727   25.809  330.932   24.549 -7.205261 35.61966 
1 1 1   -8  -20    7 o  158.146   13.232  318.492   51.777  303.476   78.963  329.818   68.578  151.984   21.398  159.825   17.467 -7.841370 27.62165 
1 1 1   -8  -20    8 o  148.402   12.857  280.580   47.176  314.101   73.637  257.243   61.441  155.208   19.424  140.724   17.888 14.48460 26.40643 
1 1 1   -8  -20    9 o  207.889   19.250  560.535   98.797   0.0000   0.0000  560.535   98.797  ?   ?   207.889   19.250 0.000000 19.24955 
1 1 1   -8  -20   10 o  197.296   13.738  496.294   67.263  518.154  101.651  479.268   89.713  199.051   20.755  192.090   18.949 6.960815 28.10456 
1 1 1   -8  -20   11 o  107.430   14.145  149.102   37.024  142.384   62.536  152.727   45.941  102.045   24.787  107.787   17.681 -5.742104 30.44676 
1 1 1   -8  -20   12 o  152.992   14.266  300.296   53.873  224.225   84.359  352.685   70.008  127.481   27.321  164.940   17.252 -37.45868 32.31195 
1 1 1   -8  -20   13 o   67.765   25.299   49.279   57.514   49.279   57.514   0.0000   0.0000   67.765   25.299  ?   ?  0.000000 25.29938 
1 1 1   -8  -20   14 o  174.525   14.720  391.364   63.556  291.834   98.335  462.770   83.291  145.080   28.158  188.667   17.893 -43.58615 33.36197 
1 1 1   -8  -20   15 o   95.736   15.821  120.392   36.502  105.625   69.289  126.064   42.944   88.199   28.002   97.268   18.353 -9.068405 33.48029 
1 1 1   -8  -20   16 o  112.310   15.289  164.453   41.765  137.863   76.237  175.855   49.922   98.995   28.985  115.347   17.913 -16.35154 34.07292 
1 1 1   -8  -20   17 o  113.388   18.340  170.954   50.156   0.0000   0.0000  170.954   50.156  ?   ?   113.388   18.340 0.000000 18.33977 
1 1 1   -8  -20   18 o   60.791   18.388   48.920   30.292   3.1603   73.336   58.334   33.263   60.584   26.254   65.890   19.103 -5.306499 32.46858 
1 1 1   -8  -20   19 o   91.874   16.835  113.121   37.201  132.564   80.327  107.813   41.973   95.520   30.131   88.751   19.473 6.769356 35.87626 
1 1 1   -8  -20   20 f  172.400   16.166  392.021   68.783  240.445  114.137  478.462   86.192  122.674   35.335  189.099   18.489 -66.42555 39.88039 
1 1 1   -8  -20   21 o  122.100   31.662  234.953   97.348  234.953   97.348   0.0000   0.0000  122.100   31.662  ?   ?  0.000000 31.66159 
1 1 1   -8  -20   22 o   38.165   15.764   7.8451   24.402 -27.4405   78.101   11.662   25.688   54.560   25.068   40.452   16.376 14.10778 29.94259 
1 1 1   -8  -20   23 o   56.377   18.358   43.638   29.647  -4.7704   87.184   49.968   31.526   59.704   27.068   59.732   18.880 -0.2820587E-01 33.00195 
1 1 1   -8  -20   24 o  107.447   17.970  163.952   46.514   24.026  101.914  200.768   52.276   65.801   29.599  118.936   18.178 -53.13505 34.73587 
1 1 1   -8  -20   25 o   84.846   19.973  108.142   41.616   0.0000   0.0000  108.142   41.616  ?   ?    84.846   19.973 0.000000 19.97317 
1 1 1   -8  -20   26 o   80.575   19.905   99.305   39.817   0.0000   0.0000   99.305   39.817  ?   ?    80.575   19.905 0.000000 19.90527 
1 1 1   -8  -20   27 o   41.441   16.653   16.909   26.354   0.0000   0.0000   16.909   26.354  ?   ?    41.441   16.653 0.000000 16.65282 
1 1 1   -8  -19    1 o  194.832   18.516  484.086   89.005   0.0000   0.0000  484.086   89.005  ?   ?   194.832   18.516 0.000000 18.51629 
1 1 1   -8  -19    2 o   90.732   15.053  106.413   32.910   6.8384   51.469  175.283   42.804   54.010   22.647  117.027   14.991 -63.01751 27.15927 
1 1 1   -8  -19    3 o  146.020   12.821  270.176   46.276  286.488   69.908  257.454   61.738  149.090   19.225  141.525   17.867 7.564178 26.24570 
1 1 1   -8  -19    4 o  264.817   15.315  888.533  100.847  849.368  145.141  925.090  140.225  256.602   22.891  268.512   21.082 -11.90979 31.12003 
1 1 1   -8  -19    5 o  150.773   13.362  288.760   49.787  216.080   73.675  349.845   67.542  127.662   23.991  165.371   16.579 -37.70905 29.16215 
1 1 1   -8  -19    6 o  345.105   17.092  1512.99  147.294  1689.54  211.373  1346.32  205.367  361.221   23.562  321.124   25.828 40.09756 34.96089 
1 1 1   -8  -19    7 o  172.058   13.040  375.801   55.610  397.966   83.726  358.305   74.387  175.385   19.444  166.693   18.164 8.691864 26.60851 
1 1 1   -8  -19    8 o   94.791   14.026  116.095   32.198  125.453   53.563  110.801   40.291   96.667   22.594   91.604   18.254 5.063499 29.04679 
1 1 1   -8  -19    9 o  222.739   14.284  631.430   79.032  621.601  116.136  639.909  107.858  218.378   21.579  222.395   19.622 -4.017563 29.16646 
1 1 1   -8  -19   10 o  163.684   17.852  346.718   71.787   0.0000   0.0000  346.718   71.787  ?   ?   163.684   17.852 0.000000 17.85203 
1 1 1   -8  -19   11 o  148.815   13.824  283.215   50.785  233.292   79.044  318.308   66.273  131.410   25.001  156.871   17.200 -25.46083 30.34613 
1 1 1   -8  -19   12 o  347.192   18.731  1555.34  161.801  1410.16  232.425  1691.86  225.379  323.280   29.103  357.388   25.419 -34.10788 38.64072 
1 1 1   -8  -19   13 o  153.816   14.262  303.298   54.157  223.160   84.250  359.729   70.698  127.319   27.317  166.682   17.234 -39.36295 32.29894 
1 1 1   -8  -19   14 o  101.164   25.874  140.838   65.625  140.838   65.625   0.0000   0.0000  101.164   25.874  ?   ?  0.000000 25.87406 
1 1 1   -8  -19   15 o  161.680   14.515  335.687   57.981  261.304   91.251  386.052   75.087  137.580   27.521  172.368   17.695 -34.78767 32.71937 
1 1 1   -8  -19   16 o   74.597   17.233   74.350   31.455   72.078   64.838   75.049   35.971   76.644   27.115   74.711   19.182 1.933968 33.21380 
1 1 1   -8  -19   17 o  114.602   15.228  170.891   42.500  150.694   77.249  179.658   50.895  103.459   28.826  116.647   18.056 -13.18791 34.01416 
1 1 1   -8  -19   18 o  153.294   15.399  304.452   58.150  202.389   97.824  360.223   72.312  118.052   32.263  165.935   17.725 -47.88316 36.81185 
1 1 1   -8  -19   19 o  148.705   16.192  288.636   59.158  131.446  103.308  365.328   72.160   97.347   34.249  166.874   17.581 -69.52644 38.49773 
1 1 1   -8  -19   20 o  107.732   16.899  154.242   43.966   71.550   87.190  182.438   50.913   79.384   30.783  116.902   18.019 -37.51833 35.66951 
1 1 1   -8  -19   21 o   51.217   18.008   31.486   28.559   8.2936   77.402   35.142   30.728   62.163   26.955   53.616   18.689 8.546822 32.80030 
1 1 1   -8  -19   22 o   77.668   30.110   75.831   83.403   75.831   83.403   0.0000   0.0000   77.668   30.110  ?   ?  0.000000 30.11035 
1 1 1   -8  -19   23 o   53.413   18.211   36.853   29.117 -83.9302   80.280   55.148   31.245   48.339   23.172   63.011   18.586 -14.67139 29.70452 
1 1 1   -8  -19   24 o   77.470   18.296   85.186   34.829  102.305   89.408   82.123   37.816   81.556   31.294   75.429   19.819 6.126442 37.04188 
1 1 1   -8  -19   25 o   54.197   18.458   39.917   29.909 -82.8745   87.791   56.041   31.813   49.525   23.866   62.422   18.835 -12.89685 30.40279 
1 1 1   -8  -19   26 o   72.610   19.782   78.926   36.843   0.0000   0.0000   78.926   36.843  ?   ?    72.610   19.782 0.000000 19.78163 
1 1 1   -8  -19   27 o   85.630   19.862  111.026   41.647   0.0000   0.0000  111.026   41.647  ?   ?    85.630   19.862 0.000000 19.86163 
1 1 1   -8  -19   28 o   25.525   12.096 -20.9286   20.615   0.0000   0.0000 -20.9286   20.615  ?   ?    25.525   12.096 0.000000 12.09556 
1 1 1   -8  -18    1 o  137.740   12.602  239.965   42.865  280.149   65.501  209.863   56.691  148.002   18.100  127.756   18.292 20.24615 25.73308 
1 1 1   -8  -18    2 o  218.717   19.362  609.116  104.656   0.0000   0.0000  609.116  104.656  ?   ?   218.717   19.362 0.000000 19.36167 
1 1 1   -8  -18    3 o  138.452   19.920  247.478   66.890  247.478   66.890   0.0000   0.0000  138.452   19.920  ?   ?  0.000000 19.92037 
1 1 1   -8  -18    4 o  349.385   17.984  1547.56  156.373  1491.07  223.113  1602.10  219.229  339.944   26.492  353.042   25.029 -13.09717 36.44535 
1 1 1   -8  -18    5 o   76.431   14.799   76.097   27.225  108.537   46.004   58.611   33.775   90.622   20.773   67.150   19.185 23.47211 28.27674 
1 1 1   -8  -18    6 o  456.319   21.715  2660.31  247.444  2681.62  351.852  2639.46  348.056  451.666   31.391  448.152   31.297 3.513428 44.32713 
1 1 1   -8  -18    7 o  188.676   20.191  459.208   93.657  459.208   93.657   0.0000   0.0000  188.676   20.191  ?   ?  0.000000 20.19150 
1 1 1   -8  -18    8 o  290.526   16.295  1074.06  117.746  1003.55  169.223  1140.22  163.939  277.447   24.682  296.997   22.266 -19.55051 33.24174 
1 1 1   -8  -18    9 o  198.077   13.463  497.972   66.199  535.238   98.695  467.495   89.253  203.577   19.659  190.344   19.032 13.23270 27.36229 
1 1 1   -8  -18   10 o  167.612   13.445  357.503   55.800  329.386   83.871  379.832   74.741  158.431   21.775  171.656   17.690 -13.22502 28.05472 
1 1 1   -8  -18   11 o   51.845   17.657   31.919   27.371   0.0000   0.0000   31.919   27.371  ?   ?    51.845   17.657 0.000000 17.65697 
1 1 1   -8  -18   12 o  375.540   19.239  1817.43  179.819  1790.90  258.019  1842.49  250.743  366.146   28.443  372.482   27.144 -6.336090 39.31626 
1 1 1   -8  -18   13 o  149.806   13.628  286.806   50.426  279.139   79.706  291.922   65.112  144.875   22.784  149.980   17.728 -5.104980 28.86841 
1 1 1   -8  -18   14 o  112.837   14.106  164.115   38.879  177.576   67.193  157.340   47.669  114.395   24.273  109.375   18.085 5.019859 30.26971 
1 1 1   -8  -18   15 o  112.766   14.725  164.465   40.476  132.559   68.276  181.754   50.259   98.184   27.004  117.812   17.625 -19.62844 32.24670 
1 1 1   -8  -18   16 o  126.423   14.712  206.227   45.576  193.326   76.769  213.250   56.638  118.421   26.609  127.497   18.315 -9.075333 32.30280 
1 1 1   -8  -18   17 o  141.487   14.935  258.165   51.972  185.689   86.715  298.792   64.924  114.789   29.939  151.481   17.484 -36.69192 34.67078 
1 1 1   -8  -18   18 o  200.627   15.116  517.480   75.173  455.781  117.177  560.635   97.998  182.932   26.416  207.108   19.166 -24.17577 32.63632 
1 1 1   -8  -18   19 o  190.697   16.449  471.215   77.566  230.445  120.646  640.861  101.271  124.609   36.456  221.595   18.469 -96.98540 40.86727 
1 1 1   -8  -18   20 o   84.310   19.567   96.461   40.402   0.0000   0.0000   96.461   40.402  ?   ?    84.310   19.567 0.000000 19.56709 
1 1 1   -8  -18   21 o  184.535   15.158  441.820   69.233  431.985  115.691  447.308   86.415  175.461   27.291  183.689   19.119 -8.227951 33.32172 
1 1 1   -8  -18   22 o  167.767   16.980  371.620   70.157  118.597  114.906  522.005   88.586   93.274   35.551  198.400   18.079 -105.1265 39.88393 
1 1 1   -8  -18   23 o  107.688   18.222  157.769   47.254 -41.4582   90.736  231.911   55.353   58.070   26.803  131.498   17.275 -73.42827 31.88774 
1 1 1   -8  -18   24 o   61.649   18.770   52.295   31.490   23.563   81.700   57.308   34.127   64.856   27.908   64.279   19.533 0.5772476 34.06485 
1 1 1   -8  -18   25 o   51.582   18.016   34.002   28.561   79.471   86.884   28.494   30.242   76.352   30.388   49.486   18.371 26.86615 35.50908 
1 1 1   -8  -18   26 o   90.542   18.098  116.559   39.488   95.653   96.905  120.722   43.241   78.836   31.844   91.297   19.556 -12.46149 37.36900 
1 1 1   -8  -18   27 o   45.146   17.431   22.244   27.861   0.0000   0.0000   22.244   27.861  ?   ?    45.146   17.431 0.000000 17.43066 
1 1 1   -8  -18   29 o   40.857   16.680   14.311   26.921   0.0000   0.0000   14.311   26.921  ?   ?    40.857   16.680 0.000000 16.68000 
1 1 1   -8  -17    1 o  491.269   32.884  3105.09  401.094   0.0000   0.0000  3105.09  401.094  ?   ?   491.269   32.884 0.000000 32.88449 
1 1 1   -8  -17    2 o  401.878   28.252  2068.47  281.727  2068.47  281.727   0.0000   0.0000  401.878   28.252  ?   ?  0.000000 28.25226 
1 1 1   -8  -17    3 o  489.880   32.964  3103.19  400.904   0.0000   0.0000  3103.19  400.904  ?   ?   489.880   32.964 0.000000 32.96352 
1 1 1   -8  -17    4 f  493.880   23.221  3098.18  286.390  2935.51  406.149  3259.04  403.893  474.799   34.491  501.577   32.420 -26.77856 47.33532 
1 1 1   -8  -17    5 o  149.271   12.335  281.598   45.569  356.313   68.768  223.109   60.844  167.296   16.683  131.510   19.084 35.78526 25.34861 
1 1 1   -8  -17    6 o  687.413   30.619  6120.70  525.612  6580.16  745.765  5667.20  740.913  699.704   42.888  645.467   46.274 54.23767 63.09237 
1 1 1   -8  -17    7 o  122.955   13.066  192.300   39.504  187.454   60.789  195.843   51.975  119.667   21.114  123.247   17.369 -3.579903 27.34040 
1 1 1   -8  -17    8 f  133.491   20.772  232.346   66.993  232.346   66.993   0.0000   0.0000  133.491   20.772  ?   ?  0.000000 20.77225 
1 1 1   -8  -17    9 o  170.488   13.614  368.978   57.476  309.973   85.407  417.822   77.705  153.761   22.945  180.587   17.448 -26.82555 28.82604 
1 1 1   -8  -17   10 o  141.201   13.475  253.973   46.937  220.738   72.280  278.206   61.721  128.997   23.296  146.988   17.137 -17.99147 28.91983 
1 1 1   -8  -17   11 o  316.459   16.723  1277.56  131.687  1333.92  190.042  1225.51  182.646  319.866   23.966  306.477   24.058 13.38922 33.95850 
1 1 1   -8  -17   12 o  220.512   14.185  618.456   77.698  634.572  115.139  604.980  105.285  220.969   21.123  216.262   19.712 4.706558 28.89221 
1 1 1   -8  -17   13 o  192.895   18.786  481.318   89.344   0.0000   0.0000  481.318   89.344  ?   ?   192.895   18.786 0.000000 18.78634 
1 1 1   -8  -17   14 f  114.016   14.098  167.296   39.285  163.764   65.631  169.269   49.040  109.891   24.537  113.711   17.859 -3.820038 30.34793 
1 1 1   -8  -17   15 o   69.127   16.892   63.478   28.912   57.162   55.948   65.779   33.772   70.246   25.151   70.315   18.849 -0.6835938E-01 31.43028 
1 1 1   -8  -17   16 o  182.646   14.004  426.061   63.386  438.735   99.190  417.314   82.407  182.355   22.243  179.204   18.690 3.151718 29.05262 
1 1 1   -8  -17   17 o  190.094   23.031  478.909  107.095  478.909  107.095   0.0000   0.0000  190.094   23.031  ?   ?  0.000000 23.03052 
1 1 1   -8  -17   18 o  182.358   14.592  426.277   65.893  389.518  103.965  450.957   85.189  169.966   25.263  186.138   18.575 -16.17174 31.35720 
1 1 1   -8  -17   19 o  151.980   14.784  297.440   55.398  264.168   92.622  315.971   69.125  138.044   27.830  155.533   18.138 -17.48901 33.21879 
1 1 1   -8  -17   20 o  168.831   15.365  367.887   64.072  259.336  103.967  434.359   81.357  134.646   31.484  182.461   18.094 -47.81494 36.31300 
1 1 1   -8  -17   21 o  105.102   18.867  147.671   47.698   0.0000   0.0000  147.671   47.698  ?   ?   105.102   18.867 0.000000 18.86699 
1 1 1   -8  -17   22 o  184.844   15.450  443.366   70.661  392.671  117.331  472.216   88.513  166.085   29.364  189.019   19.010 -22.93379 34.98045 
1 1 1   -8  -17   23 o   59.485   18.719   46.645   31.018 -15.6052   78.899   58.025   33.735   58.680   26.246   65.502   19.310 -6.821564 32.58403 
1 1 1   -8  -17   24 o   32.167   14.286  -6.7279   22.947   5.7311   78.188  -7.9021   24.004   61.551   26.885   32.598   14.536 28.95276 30.56305 
1 1 1   -8  -17   25 o   83.319   31.499   98.640   89.741   98.640   89.741   0.0000   0.0000   83.319   31.499  ?   ?  0.000000 31.49874 
1 1 1   -8  -17   26 o   77.145   18.690   84.313   35.627   54.415   91.487   89.658   38.680   71.971   30.187   79.183   19.654 -7.211685 36.02090 
1 1 1   -8  -17   27 o   60.364   19.256   51.438   32.737 -112.2758  100.161   71.018   34.639   50.967   24.781   70.049   19.221 -19.08153 31.36169 
1 1 1   -8  -17   28 o   88.009   20.121  114.737   43.257   0.0000   0.0000  114.737   43.257  ?   ?    88.009   20.121 0.000000 20.12060 
1 1 1   -8  -17   29 o   58.190   19.186   49.075   32.346   0.0000   0.0000   49.075   32.346  ?   ?    58.190   19.186 0.000000 19.18605 
1 1 1   -8  -17   30 o   54.114   18.835   41.752   31.205   0.0000   0.0000   41.752   31.205  ?   ?    54.114   18.835 0.000000 18.83541 
1 1 1   -8  -16    1 o  466.755   21.984  2746.65  256.236  2629.24  363.339  2862.82  361.413  453.067   32.327  473.415   30.737 -20.34805 44.60709 
1 1 1   -8  -16    2 o  139.501   12.584  245.781   43.366  275.007   64.456  221.611   58.616  146.827   17.953  131.505   18.349 15.32222 25.67142 
1 1 1   -8  -16    3 o  208.714   13.952  548.822   72.300  448.967  103.830  642.813  100.735  187.172   22.677  225.324   18.055 -38.15118 28.98644 
1 1 1   -8  -16    4 o  596.529   26.892  4526.97  400.592  4652.23  568.737  4403.63  564.335  597.988   38.287  581.226   39.109 16.76141 54.73044 
1 1 1   -8  -16    5 o  311.471   16.440  1224.11  127.421  1256.13  183.106  1194.05  177.429  313.832   23.536  305.974   23.399 7.858124 33.18793 
1 1 1   -8  -16    6 o  189.369   13.002  452.294   61.111  509.675   89.932  403.068   83.296  200.170   18.190  177.641   19.076 22.52878 26.35827 
1 1 1   -8  -16    7 o  334.987   17.374  1420.23  144.841  1406.89  206.925  1433.05  202.809  330.958   25.227  334.315   24.463 -3.356598 35.14056 
1 1 1   -8  -16    8 o  148.012   12.842  277.423   46.995  292.772   70.745  265.301   62.872  150.824   19.220  143.756   17.902 7.067734 26.26575 
1 1 1   -8  -16    9 o  218.344   20.780  612.417  111.935  612.417  111.935   0.0000   0.0000  218.344   20.780  ?   ?  0.000000 20.77996 
1 1 1   -8  -16   10 o   80.376   15.031   84.193   29.061  106.707   48.258   71.383   36.402   89.587   21.782   73.571   19.499 16.01514 29.23508 
1 1 1   -8  -16   11 f  141.625   12.735  254.817   44.557  316.801   69.271  211.072   58.194  156.822   18.016  127.400   18.862 29.42271 26.08313 
1 1 1   -8  -16   12 o  214.568   14.429  585.125   76.865  514.776  112.343  647.042  105.395  198.444   23.103  224.286   18.996 -25.84224 29.90978 
1 1 1   -8  -16   13 o   76.086   16.073   76.262   29.583   45.028   51.016   92.084   36.311   65.001   23.910   83.411   17.963 -18.40987 29.90635 
1 1 1   -8  -16   14 o  118.570   17.759  183.301   50.965   0.0000   0.0000  183.301   50.965  ?   ?   118.570   17.759 0.000000 17.75910 
1 1 1   -8  -16   15 o  213.552   14.599  581.456   77.384  524.656  114.636  629.008  104.888  199.554   23.452  220.514   19.240 -20.96024 30.33430 
1 1 1   -8  -16   16 o  127.862   14.523  210.173   45.550  130.360   72.872  261.352   58.354   97.730   28.259  142.137   16.763 -44.40715 32.85643 
1 1 1   -8  -16   17 o  109.263   15.356  154.831   40.742   84.003   69.090  192.593   50.447   81.774   28.051  121.598   17.085 -39.82309 32.84445 
1 1 1   -8  -16   18 o  173.611   23.121  399.999   97.744  399.999   97.744   0.0000   0.0000  173.611   23.121  ?   ?  0.000000 23.12054 
1 1 1   -8  -16   19 o  114.863   15.414  171.167   43.098  131.972   76.708  189.246   52.098   97.913   29.181  120.133   17.914 -22.21976 34.24068 
1 1 1   -8  -16   20 o   83.199   17.223   92.029   34.604  101.642   71.027   89.037   39.624   87.330   28.413   81.332   19.715 5.998802 34.58286 
1 1 1   -8  -16   21 o  119.610   15.525  185.999   45.277  175.339   83.453  190.445   53.900  111.424   29.521  120.072   18.576 -8.647354 34.87883 
1 1 1   -8  -16   23 o   45.713   17.397   19.950   27.488   90.425   77.033   9.6672   29.425   83.368   29.548   42.528   17.409 40.84028 34.29541 
1 1 1   -8  -16   24 o   42.313   16.769   13.817   26.357 -31.3849   78.289   19.595   27.991   55.991   25.487   45.630   17.510 10.36030 30.92179 
1 1 1   -8  -16   25 o  130.714   15.842  226.088   50.654  221.274  100.737  227.717   58.602  119.325   32.794  129.857   18.603 -10.53132 37.70280 
1 1 1   -8  -16   26 o   91.531   34.028  127.590  103.828  127.590  103.828   0.0000   0.0000   91.531   34.028  ?   ?  0.000000 34.02771 
1 1 1   -8  -16   27 o   76.718   31.129   75.033   93.061   75.033   93.061   0.0000   0.0000   76.718   31.129  ?   ?  0.000000 31.12934 
1 1 1   -8  -16   28 o   64.575   19.141   59.690   33.071   50.146   97.973   60.918   35.133   70.845   30.523   65.115   19.826 5.730469 36.39690 
1 1 1   -8  -16   29 o   88.040   19.898  114.068   42.718   0.0000   0.0000  114.068   42.718  ?   ?    88.040   19.898 0.000000 19.89831 
1 1 1   -8  -16   30 o   82.269   20.113  101.746   40.975   0.0000   0.0000  101.746   40.975  ?   ?    82.269   20.113 0.000000 20.11340 
1 1 1   -8  -16   31 o   53.095   18.998   39.116   31.915   0.0000   0.0000   39.116   31.915  ?   ?    53.095   18.998 0.000000 18.99767 
1 1 1   -8  -15    1 o  674.607   43.617  5893.50  730.852  5893.50  730.852   0.0000   0.0000  674.607   43.617  ?   ?  0.000000 43.61732 
1 1 1   -8  -15    2 o  342.744   17.539  1478.91  149.611  1433.42  212.839  1523.34  210.347  335.861   25.569  346.542   24.464 -10.68140 35.38748 
1 1 1   -8  -15    3 o  337.372   17.172  1433.07  144.196  1474.18  205.433  1393.15  202.449  340.791   24.299  331.164   24.657 9.626831 34.61810 
1 1 1   -8  -15    4 o  253.991   14.079  811.372   88.948  955.591  128.441  678.464  123.300  274.973   18.818  230.966   21.630 44.00697 28.67023 
1 1 1   -8  -15    5 o  415.405   19.534  2174.16  202.636  2353.37  288.682  2000.09  284.506  429.615   27.047  395.291   29.025 34.32391 39.67318 
1 1 1   -8  -15    6 o  259.897   21.035  858.656  135.347   0.0000   0.0000  858.656  135.347  ?   ?   259.897   21.035 0.000000 21.03481 
1 1 1   -8  -15    7 o  192.477   13.164  467.100   62.891  516.971   92.256  423.802   85.961  201.627   18.530  182.266   19.174 19.36055 26.66461 
1 1 1   -8  -15    8 o  383.518   19.034  1858.95  182.295  1806.61  259.520  1909.92  256.121  374.522   27.950  385.618   26.763 -11.09555 38.69705 
1 1 1   -8  -15    9 o  311.711   16.102  1228.39  124.911  1363.23  179.576  1101.99  173.865  326.664   22.145  292.963   23.976 33.70145 32.63758 
1 1 1   -8  -15   10 o  365.207   26.839  1726.10  243.053  1726.10  243.053   0.0000   0.0000  365.207   26.839  ?   ?  0.000000 26.83891 
1 1 1   -8  -15   11 o  316.441   16.648  1270.88  131.091  1324.29  188.159  1220.51  182.740  320.425   23.683  307.421   23.994 13.00391 33.71341 
1 1 1   -8  -15   12 o  221.062   14.221  619.541   78.086  615.499  114.501  623.056  106.765  218.318   21.273  220.205   19.621 -1.886276 28.93984 
1 1 1   -8  -15   13 o  209.827   13.583  558.259   70.791  632.127  105.179  497.086   95.715  221.713   19.186  196.230   19.804 25.48232 27.57356 
1 1 1   -8  -15   14 o  139.798   13.620  249.315   46.943  209.053   72.326  278.621   61.706  125.088   24.028  147.001   17.131 -21.91310 29.50908 
1 1 1   -8  -15   15 o  148.820   17.939  286.673   65.323   0.0000   0.0000  286.673   65.323  ?   ?   148.820   17.939 0.000000 17.93892 
1 1 1   -8  -15   16 o  163.820   13.769  342.180   55.804  321.888   85.753  357.086   73.494  156.130   22.656  166.188   17.997 -10.05786 28.93412 
1 1 1   -8  -15   17 o  214.216   14.725  585.421   78.293  532.977  116.879  628.109  105.448  200.952   23.751  220.258   19.368 -19.30675 30.64675 
1 1 1   -8  -15   18 o  219.937   15.196  618.248   82.948  530.698  124.124  688.897  111.502  199.527   25.495  230.527   19.553 -31.00081 32.12962 
1 1 1   -8  -15   19 o  319.040   26.242  1353.58  207.215  1353.58  207.215   0.0000   0.0000  319.040   26.242  ?   ?  0.000000 26.24169 
1 1 1   -8  -15   20 o   83.366   17.112   92.130   34.431  105.801   68.329   87.477   39.862   88.788   27.757   80.718   19.902 8.069984 34.15430 
1 1 1   -8  -15   21 o  202.062   14.943  523.369   74.864  509.959  118.433  532.294   96.616  195.095   24.876  202.030   19.389 -6.935303 31.53911 
1 1 1   -8  -15   22 o   76.903   18.805   79.451   35.812 -31.8099   75.000  112.310   40.758   55.619   25.171   91.745   18.430 -36.12582 31.19661 
1 1 1   -8  -15   23 f  112.546   18.984  168.549   51.457   0.0000   0.0000  168.549   51.457  ?   ?   112.546   18.984 0.000000 18.98429 
1 1 1   -8  -15   24 o  148.839   15.216  287.558   55.759  304.039  103.008  280.728   66.314  146.223   29.232  145.677   18.658 0.5466003 34.67871 
1 1 1   -8  -15   25 o  211.225   16.449  583.132   86.080  463.853  138.952  657.415  109.655  177.249   32.594  222.045   19.990 -44.79605 38.23563 
1 1 1   -8  -15   26 o   70.235   19.191   67.930   34.615   14.189   91.496   76.907   37.394   67.358   29.257   74.518   19.770 -7.159981 35.31033 
1 1 1   -8  -15   27 o   70.721   29.720   41.479   88.955   41.479   88.955   0.0000   0.0000   70.721   29.720  ?   ?  0.000000 29.71964 
1 1 1   -8  -15   28 o   77.853   18.737   85.567   35.987  100.540   93.877   82.987   38.963   82.751   31.983   76.150   20.169 6.600456 37.81158 
1 1 1   -8  -15   29 o   76.145   19.191   83.534   36.480   62.857  100.466   86.674   39.152   73.721   31.313   77.168   20.113 -3.447647 37.21600 
1 1 1   -8  -15   30 o   98.047   19.701  139.932   46.564   0.0000   0.0000  139.932   46.564  ?   ?    98.047   19.701 0.000000 19.70147 
1 1 1   -8  -15   31 o  100.598   19.773  149.256   47.901   0.0000   0.0000  149.256   47.901  ?   ?   100.598   19.773 0.000000 19.77321 
1 1 1   -8  -15   32 o   40.551   16.722   12.414   27.396   0.0000   0.0000   12.414   27.396  ?   ?    40.551   16.722 0.000000 16.72174 
1 1 1   -8  -15   33 o   80.610   20.663  102.410   41.787   0.0000   0.0000  102.410   41.787  ?   ?    80.610   20.663 0.000000 20.66286 
1 1 1   -8  -14    1 o  623.848   27.708  4918.67  431.653  5180.25  611.605  4659.06  609.299  635.489   38.725  601.673   40.794 33.81616 56.24710 
1 1 1   -8  -14    2 o  211.144   19.637  564.925  102.355  564.925  102.355   0.0000   0.0000  211.144   19.637  ?   ?  0.000000 19.63743 
1 1 1   -8  -14    3 o  560.183   25.425  3961.94  355.665  3966.91  503.707  3957.01  502.270  556.187   36.468  555.513   36.408 0.6734619 51.53170 
1 1 1   -8  -14    4 o  484.175   22.054  2953.23  266.654  3192.84  378.836  2717.95  375.398  500.549   30.453  460.916   32.830 39.63309 44.77890 
1 1 1   -8  -14    5 o  215.508   13.689  584.373   73.286  604.516  106.087  565.986  101.359  218.334   19.669  211.245   19.432 7.089020 27.64912 
1 1 1   -8  -14    6 o  269.194   15.094  912.124  101.055  934.323  144.880  891.091  141.024  271.345   21.559  264.965   21.499 6.380005 30.44664 
1 1 1   -8  -14    7 o  336.683   24.576  1443.64  205.198   0.0000   0.0000  1443.64  205.198  ?   ?   336.683   24.576 0.000000 24.57604 
1 1 1   -8  -14    8 o  290.095   15.830  1061.13  114.246  1073.59  163.905  1049.36  159.328  290.293   22.794  287.078   22.402 3.214905 31.95952 
1 1 1   -8  -14    9 o  745.431   33.234  7179.32  618.651  7503.18  876.818  6858.28  873.004  748.255   47.167  712.996   49.335 35.25891 68.25452 
1 1 1   -8  -14   10 o  168.234   13.022  357.626   54.279  386.063   80.552  333.974   73.462  173.750   18.868  161.533   18.548 12.21725 26.45850 
1 1 1   -8  -14   11 o  282.368   22.984  1023.46  160.663  1023.46  160.663   0.0000   0.0000  282.368   22.984  ?   ?  0.000000 22.98440 
1 1 1   -8  -14   12 f  186.675   13.527  441.102   62.631  442.048   92.055  440.287   85.459  185.343   20.217  185.359   18.719 -0.1602173E-01 27.55250 
1 1 1   -8  -14   13 o  227.737   14.362  657.232   81.261  656.093  118.578  658.241  111.581  225.575   21.303  226.385   19.941 -0.8106842 29.17971 
1 1 1   -8  -14   14 o  146.086   13.940  271.914   50.235  177.184   75.771  346.207   67.102  114.498   26.949  164.382   16.573 -49.88383 31.63698 
1 1 1   -8  -14   15 o  346.965   18.035  1538.83  155.723  1536.06  223.625  1541.44  216.978  342.198   26.373  343.340   25.489 -1.141632 36.67693 
1 1 1   -8  -14   16 o  188.098   18.745  456.667   86.874   0.0000   0.0000  456.667   86.874  ?   ?   188.098   18.745 0.000000 18.74474 
1 1 1   -8  -14   17 o  207.158   14.447  546.557   74.267  506.058  110.770  579.628  100.099  196.350   23.028  211.836   19.129 -15.48549 29.93707 
1 1 1   -8  -14   18 o  123.319   14.421  195.413   43.572  164.140   71.623  213.786   54.899  109.664   26.458  128.219   17.611 -18.55502 31.78349 
1 1 1   -8  -14   19 o  366.678   19.292  1733.27  176.025  1656.56  253.890  1804.28  244.263  351.448   29.193  368.925   26.694 -17.47665 39.55768 
1 1 1   -8  -14   20 o  341.488   27.266  1554.44  230.573  1554.44  230.573   0.0000   0.0000  341.488   27.266  ?   ?  0.000000 27.26579 
1 1 1   -8  -14   21 o   98.098   16.367  126.044   38.682  103.051   72.369  135.240   45.770   88.305   28.678  101.015   18.837 -12.71062 34.31125 
1 1 1   -8  -14   22 o  131.792   14.987  224.071   48.447  230.349   87.403  221.287   58.207  129.056   27.931  129.908   18.462 -0.8519135 33.48123 
1 1 1   -8  -14   23 o  188.491   15.234  456.663   71.091  414.585  115.608  482.250   90.151  174.098   27.505  192.233   19.030 -18.13556 33.44643 
1 1 1   -8  -14   24 o  170.572   15.618  375.939   65.787  327.565  114.837  399.570   80.262  151.768   31.339  174.661   18.692 -22.89326 36.48970 
1 1 1   -8  -14   25 o  159.707   18.789  336.598   73.501   0.0000   0.0000  336.598   73.501  ?   ?   159.707   18.789 0.000000 18.78900 
1 1 1   -8  -14   26 o   84.580   31.399   91.461   88.347   91.461   88.347   0.0000   0.0000   84.580   31.399  ?   ?  0.000000 31.39933 
1 1 1   -8  -14   27 o   98.037   17.843  130.151   42.073   73.288   93.536  144.574   47.108   79.807   31.603  102.948   19.025 -23.14072 36.88763 
1 1 1   -8  -14   28 o   76.280   31.052   64.016   92.961   64.016   92.961   0.0000   0.0000   76.280   31.052  ?   ?  0.000000 31.05197 
1 1 1   -8  -14   29 o   39.403   16.261   8.6794   25.931   32.140   94.006   6.7472   26.978   68.808   29.771   39.281   16.428 29.52622 34.00304 
1 1 1   -8  -14   30 o   71.708   19.591   74.239   36.077  -6.7548  103.465   85.450   38.492   63.595   29.084   76.770   19.910 -13.17562 35.24598 
1 1 1   -8  -14   31 o   65.142   19.515   61.709   34.241 -11.2312  108.905   69.710   36.070   62.954   29.165   68.915   19.868 -5.961651 35.28948 
1 1 1   -8  -14   32 o   62.822   19.951   58.025   35.172   0.0000   0.0000   58.025   35.172  ?   ?    62.822   19.951 0.000000 19.95093 
1 1 1   -8  -14   33 o   92.315   20.413  129.354   45.807   0.0000   0.0000  129.354   45.807  ?   ?    92.315   20.413 0.000000 20.41255 
1 1 1   -8  -14   34 o   35.828   15.599   1.7977   26.131   0.0000   0.0000   1.7977   26.131  ?   ?    35.828   15.599 0.000000 15.59878 
1 1 1   -8  -13    1 o  427.018   20.263  2290.69  216.075  2314.25  306.340  2267.35  304.819  426.926   28.905  422.520   29.067 4.406494 40.99199 
1 1 1   -8  -13    2 o  810.715   35.473  8364.08  718.152  8706.83  1016.72  8022.79  1014.53  818.246   49.998  783.990   52.118 34.25647 72.22224 
1 1 1   -8  -13    3 o  350.623   25.333  1558.29  220.316  1558.29  220.316   0.0000   0.0000  350.623   25.333  ?   ?  0.000000 25.33312 
1 1 1   -8  -13    4 o  558.694   25.259  3938.18  352.408  4047.45  499.311  3829.72  497.454  562.420   35.737  546.681   36.651 15.73877 51.19047 
1 1 1   -8  -13    5 o  386.937   18.560  1880.57  179.338  2023.13  255.232  1741.56  252.043  399.446   25.724  370.078   27.469 29.36765 37.63340 
1 1 1   -8  -13    6 o  580.104   25.665  4253.41  371.785  4662.90  527.645  3849.64  523.943  603.225   35.180  546.450   38.645 56.77478 52.25981 
1 1 1   -8  -13    7 o  277.343   14.981  967.598  103.369  1083.19  148.700  859.510  143.796  292.586   20.481  260.113   22.355 32.47290 30.31874 
1 1 1   -8  -13    8 o  113.085   18.083  164.802   49.344   0.0000   0.0000  164.802   49.344  ?   ?   113.085   18.083 0.000000 18.08269 
1 1 1   -8  -13    9 o  274.059   14.732  945.778  100.452  1103.51  145.256  801.200  139.067  295.135   19.824  250.710   22.451 44.42549 29.95023 
1 1 1   -8  -13   10 o  157.598   13.074  313.797   50.986  321.324   75.929  307.616   68.807  158.352   19.622  155.189   18.095 3.163010 26.69135 
1 1 1   -8  -13   11 o  505.697   23.003  3250.65  290.487  3531.15  413.266  2976.71  408.397  521.968   31.858  477.591   34.475 44.37726 46.94114 
1 1 1   -8  -13   12 o  133.082   13.507  224.960   44.267  208.495   67.181  237.595   58.850  126.274   22.111  136.001   17.751 -9.727417 28.35485 
1 1 1   -8  -13   13 o  279.834   23.019  1007.40  159.430  1007.40  159.430   0.0000   0.0000  279.834   23.019  ?   ?  0.000000 23.01902 
1 1 1   -8  -13   14 o  235.145   14.577  700.536   85.174  703.351  124.303  698.046  116.942  233.641   21.548  233.158   20.287 0.4830933 29.59521 
1 1 1   -8  -13   15 o  158.033   13.419  317.268   52.455  316.886   79.760  317.559   69.632  156.042   21.002  157.023   18.089 -0.9806671 27.71817 
1 1 1   -8  -13   16 o   67.431   16.952   60.029   28.513   59.505   50.907   60.268   34.419   70.317   24.080   67.819   19.364 2.498032 30.89985 
1 1 1   -8  -13   17 o  175.048   18.476  395.435   79.544   0.0000   0.0000  395.435   79.544  ?   ?   175.048   18.476 0.000000 18.47613 
1 1 1   -8  -13   18 f  204.438   14.371  532.045   72.902  514.745  109.722  545.719   97.546  198.330   22.555  205.534   19.229 -7.203995 29.63932 
1 1 1   -8  -13   19 o  102.142   15.314  135.321   37.856  120.858   65.717  142.504   46.312   94.495   26.680  104.060   18.500 -9.565285 32.46653 
1 1 1   -8  -13   20 o  281.335   15.762  1010.41  110.291  1111.98  163.822  926.209  149.158  291.854   22.656  266.225   22.651 25.62851 32.03678 
1 1 1   -8  -13   21 o  152.265   14.626  297.079   54.928  289.725   88.088  301.757   70.260  146.932   24.897  152.203   18.892 -5.270432 31.25292 
1 1 1   -8  -13   22 o   74.715   18.640   74.516   34.663   24.080   69.114   91.466   40.066   64.836   26.627   82.636   19.695 -17.79979 33.11937 
1 1 1   -8  -13   23 o   60.405   18.778   46.977   31.324   26.271   71.920   51.824   34.798   66.214   27.174   63.384   19.807 2.829750 33.62634 
1 1 1   -8  -13   24 o   68.452   19.375   62.333   34.613   16.377   80.219   72.846   38.369   66.682   28.133   73.719   20.230 -7.036591 34.65142 
1 1 1   -8  -13   25 o   96.840   18.403  125.012   42.876   3.4224   91.421  159.298   48.546   67.631   29.310  109.629   18.383 -41.99779 34.59838 
1 1 1   -8  -13   26 o  149.173   18.850  294.077   68.651   0.0000   0.0000  294.077   68.651  ?   ?   149.173   18.850 0.000000 18.85008 
1 1 1   -8  -13   27 o  177.810   15.497  411.599   68.122  431.451  121.132  402.417   82.384  173.895   28.910  173.885   19.298 0.9597778E-02 34.75898 
1 1 1   -8  -13   28 o  100.812   17.085  136.587   41.475  235.794   99.032  115.485   45.673  124.414   31.765   91.206   20.546 33.20790 37.83116 
1 1 1   -8  -13   29 o  131.424   34.788  281.292  115.958  281.292  115.958   0.0000   0.0000  131.424   34.788  ?   ?  0.000000 34.78780 
1 1 1   -8  -13   30 o   38.572   16.153   6.1683   26.129   80.672   99.165   0.6096   27.087   79.074   32.117   37.205   16.039 41.86879 35.89930 
1 1 1   -8  -13   31 o   43.117   17.016   17.016   27.032   24.472  103.885   16.475   27.996   68.205   30.338   43.338   17.249 24.86654 34.89902 
1 1 1   -8  -13   32 o   62.213   19.091   55.586   32.494  110.550  117.031   50.995   33.824   82.286   34.298   59.989   19.612 22.29742 39.50954 
1 1 1   -8  -13   33 f   77.336   20.524   89.927   40.294   0.0000   0.0000   89.927   40.294  ?   ?    77.336   20.524 0.000000 20.52398 
1 1 1   -8  -13   34 o   36.547   15.786   2.5947   26.342   0.0000   0.0000   2.5947   26.342  ?   ?    36.547   15.786 0.000000 15.78613 
1 1 1   -8  -13   35 o   87.543   20.778  119.926   44.742   0.0000   0.0000  119.926   44.742  ?   ?    87.543   20.778 0.000000 20.77797 
1 1 1   -8  -12    1 o  238.808   14.174  716.620   84.148  649.189  119.417  783.123  118.592  226.287   21.386  249.048   19.217 -22.76021 28.75211 
1 1 1   -8  -12    2 o  430.943   20.441  2332.91  219.979  2276.11  311.493  2389.42  310.702  423.255   29.658  433.913   28.838 -10.65750 41.36752 
1 1 1   -8  -12    3 o  361.866   17.630  1642.52  159.310  1802.42  226.514  1486.01  224.102  377.564   24.151  342.231   26.427 35.33231 35.80048 
1 1 1   -8  -12    4 o  303.043   23.078  1162.45  173.331  1162.45  173.331   0.0000   0.0000  303.043   23.078  ?   ?  0.000000 23.07809 
1 1 1   -8  -12    5 f  368.919   18.248  1708.27  168.113  1685.69  238.363  1730.61  237.139  364.523   26.364  369.478   25.865 -4.955414 36.93275 
1 1 1   -8  -12    6 o  327.367   16.833  1347.90  137.143  1403.69  195.139  1293.44  192.781  332.942   23.624  319.389   24.354 13.55273 33.92985 
1 1 1   -8  -12    7 f  320.233   16.399  1289.86  130.703  1405.70  186.742  1178.61  182.999  333.286   22.571  304.717   24.250 28.56851 33.12835 
1 1 1   -8  -12    8 o  258.468   14.806  840.382   95.164  865.768  136.870  816.625  132.405  261.360   21.152  253.798   21.082 7.561295 29.86434 
1 1 1   -8  -12    9 o  521.127   34.568  3492.89  447.291   0.0000   0.0000  3492.89  447.291  ?   ?   521.127   34.568 0.000000 34.56752 
1 1 1   -8  -12   10 o  282.078   15.398  1002.23  108.050  1073.19  155.484  935.957  150.262  290.734   21.570  271.224   22.386 19.51028 31.08647 
1 1 1   -8  -12   11 o  480.408   22.250  2922.08  266.931  3070.69  379.466  2776.52  375.560  488.269   31.286  463.566   32.651 24.70331 45.22100 
1 1 1   -8  -12   12 o  377.883   17.728  1801.24  167.290  2111.35  240.012  1508.24  233.298  406.835   23.728  342.322   27.524 64.51349 36.33965 
1 1 1   -8  -12   13 o  218.857   13.408  604.325   72.927  753.267  108.081  479.839   98.810  243.518   17.899  193.408   20.785 50.11035 27.42944 
1 1 1   -8  -12   14 f  322.205   24.889  1338.61  198.702  1338.61  198.702   0.0000   0.0000  322.205   24.889  ?   ?  0.000000 24.88856 
1 1 1   -8  -12   15 o  449.198   21.580  2578.14  242.071  2577.08  344.724  2579.18  340.004  442.572   31.395  443.087   30.923 -0.5150757 44.06666 
1 1 1   -8  -12   16 o   82.062   16.405   88.279   32.442   47.469   54.514  110.658   40.369   67.159   24.715   91.739   18.264 -24.58014 30.73080 
1 1 1   -8  -12   17 o  345.587   17.675  1523.68  152.022  1618.99  218.945  1434.95  211.245  352.550   25.032  331.427   25.726 21.12265 35.89440 
1 1 1   -8  -12   18 o  336.563   25.223  1480.85  210.445   0.0000   0.0000  1480.85  210.445  ?   ?   336.563   25.223 0.000000 25.22273 
1 1 1   -8  -12   19 o  155.954   13.582  309.821   52.367  364.514   83.868  274.873   67.041  167.287   20.506  145.445   18.905 21.84276 27.89075 
1 1 1   -8  -12   20 o  179.100   14.514  409.226   64.356  344.421   98.872  456.864   84.771  160.611   25.504  188.178   18.270 -27.56761 31.37289 
1 1 1   -8  -12   21 o   79.937   17.446   84.662   33.847   75.352   66.010   87.983   39.425   78.704   27.395   81.184   19.656 -2.480141 33.71714 
1 1 1   -8  -12   22 o  220.428   15.246  620.649   83.403  578.989  127.038  652.208  110.570  209.038   24.822  224.228   19.955 -15.18971 31.84848 
1 1 1   -8  -12   23 o  282.318   16.736  1021.79  117.460  1005.87  174.226  1035.06  159.038  275.370   25.631  281.032   22.860 -5.662476 34.34408 
1 1 1   -8  -12   24 o  110.872   19.306  162.692   51.510   0.0000   0.0000  162.692   51.510  ?   ?   110.872   19.306 0.000000 19.30608 
1 1 1   -8  -12   25 o  283.550   26.618  1079.57  186.273  1079.57  186.273   0.0000   0.0000  283.550   26.618  ?   ?  0.000000 26.61841 
1 1 1   -8  -12   26 o  263.238   16.196  892.614  105.950  979.776  167.499  834.481  136.792  270.200   25.112  251.249   22.025 18.95099 33.40181 
1 1 1   -8  -12   27 o  120.479   18.973  193.237   55.195   0.0000   0.0000  193.237   55.195  ?   ?   120.479   18.973 0.000000 18.97336 
1 1 1   -8  -12   28 o   89.144   19.338  108.294   41.811 -48.4827   95.123  145.837   46.549   59.805   27.547  104.091   18.590 -44.28632 33.23273 
1 1 1   -8  -12   29 o  140.652   16.621  262.195   57.249  181.910  111.640  290.840   66.685  107.733   35.650  147.222   18.550 -39.48920 40.18729 
1 1 1   -8  -12   30 o   80.243   20.087   90.518   40.157   27.038  102.077  102.141   43.678   71.225   30.920   85.035   20.752 -13.80933 37.23814 
1 1 1   -8  -12   31 o  125.990   17.461  216.781   53.459  126.343  116.720  240.789   60.138   89.914   35.399  132.044   18.766 -42.13020 40.06522 
1 1 1   -8  -12   32 o   40.722   16.684   11.048   27.054   95.968  108.078   5.3710   27.944   81.170   33.312   39.124   16.561 42.04624 37.20115 
1 1 1   -8  -12   33 o   97.867   19.241  137.883   45.346 -25.4482  123.785  163.199   48.734   64.661   30.330  106.879   18.953 -42.21729 35.76521 
1 1 1   -8  -12   34 o   52.622   18.985   36.439   31.939   0.0000   0.0000   36.439   31.939  ?   ?    52.622   18.985 0.000000 18.98488 
1 1 1   -8  -12   35 f   64.587   20.356   63.062   36.667   0.0000   0.0000   63.062   36.667  ?   ?    64.587   20.356 0.000000 20.35560 
1 1 1   -8  -12   36 o   63.827   19.651   62.696   34.396   0.0000   0.0000   62.696   34.396  ?   ?    63.827   19.651 0.000000 19.65090 
1 1 1   -8  -11    1 o  164.423   12.470  340.244   50.822  297.986   72.403  381.287   71.354  152.868   19.403  173.613   16.663 -20.74545 25.57645 
1 1 1   -8  -11    2 o  574.076   25.916  4154.59  371.527  4074.92  525.647  4234.13  525.190  564.438   37.507  575.682   36.724 -11.24469 52.49204 
1 1 1   -8  -11    3 o  717.505   31.720  6520.64  568.343  6421.17  803.944  6620.02  803.573  705.195   45.903  716.459   45.145 -11.26355 64.38269 
1 1 1   -8  -11    4 o  499.059   22.917  3133.39  285.599  3227.61  404.529  3039.75  403.272  503.639   32.336  488.435   33.261 15.20328 46.38830 
1 1 1   -8  -11    5 o  309.106   23.325  1209.24  178.719  1209.24  178.719   0.0000   0.0000  309.106   23.325  ?   ?  0.000000 23.32512 
1 1 1   -8  -11    6 o  1121.46   49.273 16284.58  1379.89 16333.73  1952.03 16235.49  1950.88  1099.94   71.454  1096.40   71.648 3.545166 101.1887 
1 1 1   -8  -11    7 o  504.177   22.991  3200.67  289.460  3412.52  410.590  2991.35  408.137  517.655   31.918  483.893   33.992 33.76224 46.62835 
1 1 1   -8  -11    8 o  575.217   25.902  4178.54  372.068  4312.55  527.476  4045.83  524.902  580.039   36.604  561.316   37.666 18.72247 52.52182 
1 1 1   -8  -11    9 f  221.838   14.085  619.185   77.620  590.824  111.931  645.457  107.730  215.641   21.055  225.777   19.293 -10.13556 28.55717 
1 1 1   -8  -11   10 o  326.405   24.084  1353.34  194.924   0.0000   0.0000  1353.34  194.924  ?   ?   326.405   24.084 0.000000 24.08448 
1 1 1   -8  -11   11 f  596.530   26.929  4519.82  401.142  4627.75  568.873  4413.08  565.741  597.332   38.340  582.828   39.098 14.50385 54.75904 
1 1 1   -8  -11   12 o  461.879   21.744  2698.12  250.797  2733.44  356.441  2663.48  352.945  460.839   31.156  454.830   31.265 6.008423 44.13834 
1 1 1   -8  -11   13 o  377.641   18.208  1799.34  171.711  1992.22  245.690  1615.18  240.079  394.795   25.051  354.521   27.329 40.27426 37.07321 
1 1 1   -8  -11   14 f  135.070   13.358  231.476   44.465  243.410   68.114  222.614   58.697  137.128   20.522  131.489   18.378 5.638809 27.54863 
1 1 1   -8  -11   15 o   93.946   23.650  117.144   55.446  117.144   55.446   0.0000   0.0000   93.946   23.650  ?   ?  0.000000 23.65044 
1 1 1   -8  -11   16 o  235.585   14.663  702.887   85.835  693.851  125.174  710.907  117.928  232.079   21.856  235.442   20.255 -3.362808 29.79858 
1 1 1   -8  -11   17 o  176.024   13.511  392.991   58.936  431.622   89.457  363.365   78.341  182.930   19.904  167.917   19.018 15.01277 27.52933 
1 1 1   -8  -11   18 o  261.515   15.124  868.492   98.347  936.135  143.975  809.320  134.659  269.251   21.595  250.167   21.772 19.08394 30.66562 
1 1 1   -8  -11   19 o  156.127   13.747  310.358   53.048  343.350   84.558  288.946   68.121  162.170   21.403  149.370   18.670 12.80005 28.40213 
1 1 1   -8  -11   20 o  171.619   14.123  375.171   59.988  394.459   95.670  362.674   77.008  173.428   22.630  167.467   18.735 5.960587 29.37897 
1 1 1   -8  -11   21 o  208.347   14.409  552.558   74.508  582.956  114.070  529.940   98.398  211.450   21.922  202.336   19.725 9.114395 29.48960 
1 1 1   -8  -11   22 o  154.598   14.371  305.490   54.844  323.574   90.847  295.119   68.795  156.063   24.086  150.737   18.676 5.326019 30.47839 
1 1 1   -8  -11   23 o  206.877   15.069  546.526   77.314  533.206  121.172  555.673  100.409  200.655   24.704  207.024   19.658 -6.368759 31.57134 
1 1 1   -8  -11   24 o   53.775   24.468 -37.6724   72.053 -37.6724   72.053   0.0000   0.0000   53.775   24.468  ?   ?  0.000000 24.46752 
1 1 1   -8  -11   25 o  191.916   14.845  471.355   70.590  551.127  118.752  427.765   87.782  203.957   23.761  181.080   19.732 22.87636 30.88610 
1 1 1   -8  -11   26 o   99.336   17.754  130.372   42.425  119.524   88.497  133.609   48.342   94.698   31.752   99.927   20.070 -5.229416 37.56292 
1 1 1   -8  -11   27 f   80.704   19.349   87.771   38.488   32.384   91.166   99.784   42.457   73.157   30.364   85.933   20.137 -12.77611 36.43430 
1 1 1   -8  -11   28 o   63.558   20.200   52.611   36.049   0.0000   0.0000   52.611   36.049  ?   ?    63.558   20.200 0.000000 20.19969 
1 1 1   -8  -11   29 o  114.663   17.120  174.545   47.520  191.721  105.202  170.143   53.263  112.609   34.313  112.132   19.743 0.4772034 39.58705 
1 1 1   -8  -11   30 o   71.360   19.198   70.133   34.960  242.942  103.152   47.708   37.159  125.678   32.593   60.827   20.574 64.85098 38.54314 
1 1 1   -8  -11   31 o  178.223   15.863  420.963   69.862  501.382  133.232  390.465   82.047  181.867   30.410  168.924   19.827 12.94307 36.30241 
1 1 1   -8  -11   32 o   91.050   19.121  116.638   42.091  150.300  112.118  111.115   45.413   94.988   35.351   87.911   20.978 7.076981 41.10669 
1 1 1   -8  -11   33 o  120.699   17.066  200.602   50.003  283.299  128.447  185.831   54.285  121.934   38.046  114.390   19.716 7.543747 42.85111 
1 1 1   -8  -11   34 o   37.597   15.647   7.4726   24.302   1.8890  122.289   7.7021   24.796   67.488   31.139   37.976   15.805 29.51256 34.92003 
1 1 1   -8  -11   35 o   54.766   18.720   41.421   30.767   0.0000   0.0000   41.421   30.767  ?   ?    54.766   18.720 0.000000 18.71996 
1 1 1   -8  -11   36 o   42.604   16.912   17.928   26.848   0.0000   0.0000   17.928   26.848  ?   ?    42.604   16.912 0.000000 16.91213 
1 1 1   -8  -11   37 o   53.068   18.837   40.093   31.318   0.0000   0.0000   40.093   31.318  ?   ?    53.068   18.837 0.000000 18.83712 
1 1 1   -8  -10    1 f  401.839   19.327  2027.31  193.935  2021.26  274.777  2033.30  273.758  399.150   27.740  400.385   27.548 -1.235199 39.09439 
1 1 1   -8  -10    2 o  892.040   39.003 10155.01  868.831 10390.11  1229.40  9920.43  1228.03  890.988   55.531  869.579   56.865 21.40924 79.48180 
1 1 1   -8  -10    3 o  852.758   37.380  9261.29  796.004  9178.23  1125.87  9344.31  1125.57  838.490   54.058  846.428   53.527 -7.937866 76.07512 
1 1 1   -8  -10    4 o  327.930   16.827  1351.62  137.330  1377.23  194.757  1326.29  193.676  329.956   23.796  323.704   24.133 6.251984 33.89188 
1 1 1   -8  -10    5 o  805.079   35.294  8236.31  709.559  8438.24  1004.23  8035.00  1002.71  806.399   50.117  786.081   51.363 20.31750 71.76279 
1 1 1   -8  -10    6 o  274.012   21.771  949.713  147.745  949.713  147.745   0.0000   0.0000  274.012   21.771  ?   ?  0.000000 21.77147 
1 1 1   -8  -10    7 o  810.050   35.545  8346.82  719.026  8526.32  1017.68  8167.89  1016.03  809.716   50.584  791.770   51.671 17.94635 72.30891 
1 1 1   -8  -10    8 o  947.188   41.477 11501.21  981.066 11729.65  1388.43 11273.42  1386.44  942.287   59.308  922.693   60.507 19.59387 84.72623 
1 1 1   -8  -10    9 o  505.401   23.236  3217.76  293.253  3284.92  415.937  3151.37  413.517  507.357   33.009  496.723   33.534 10.63336 47.05414 
1 1 1   -8  -10   10 o  365.392   18.031  1676.78  164.523  1751.02  234.375  1604.66  231.004  371.490   25.417  355.368   26.216 16.12189 36.51470 
1 1 1   -8  -10   11 o  730.036   47.292  6979.40  857.507   0.0000   0.0000  6979.40  857.507  ?   ?   730.036   47.292 0.000000 47.29160 
1 1 1   -8  -10   12 o  323.436   16.740  1318.09  134.744  1390.04  192.942  1249.60  188.258  330.744   23.514  313.327   24.249 17.41724 33.77770 
1 1 1   -8  -10   13 o  507.569   23.341  3263.55  295.848  3406.88  420.281  3122.77  416.527  514.006   32.916  491.425   34.154 22.58127 47.43382 
1 1 1   -8  -10   14 o  593.429   26.675  4494.11  395.293  4774.51  561.274  4218.15  556.809  604.413   37.370  566.420   39.615 37.99274 54.45994 
1 1 1   -8  -10   15 o  378.302   19.066  1814.74  179.535  1761.46  256.074  1866.26  251.781  369.452   27.963  380.902   26.638 -11.44949 38.62026 
1 1 1   -8  -10   16 o  330.438   25.276  1407.46  206.986  1407.46  206.986   0.0000   0.0000  330.438   25.276  ?   ?  0.000000 25.27588 
1 1 1   -8  -10   17 o  298.774   16.510  1132.56  122.700  1099.29  176.650  1163.59  170.558  291.581   24.488  300.682   22.887 -9.101196 33.51790 
1 1 1   -8  -10   18 o  162.411   13.437  334.786   54.005  367.381   82.918  310.772   71.171  168.579   20.093  155.230   18.739 13.34935 27.47502 
1 1 1   -8  -10   19 o  271.249   15.775  935.286  106.390  925.686  154.573  943.927  146.655  267.034   23.417  270.301   21.916 -3.267456 32.07228 
1 1 1   -8  -10   20 o  166.181   13.859  351.348   56.987  360.814   88.703  344.695   74.363  166.179   21.909  163.395   18.554 2.783875 28.71000 
1 1 1   -8  -10   21 o   97.633   19.435  126.061   45.717   0.0000   0.0000  126.061   45.717  ?   ?    97.633   19.435 0.000000 19.43458 
1 1 1   -8  -10   22 o  111.409   15.612  160.519   42.242  137.634   73.968  171.594   51.459  100.668   28.264  114.475   18.643 -13.80730 33.85878 
1 1 1   -8  -10   23 o  110.230   19.308  160.012   51.210   0.0000   0.0000  160.012   51.210  ?   ?   110.230   19.308 0.000000 19.30753 
1 1 1   -8  -10   24 o  288.927   25.458  1100.90  181.804  1100.90  181.804   0.0000   0.0000  288.927   25.458  ?   ?  0.000000 25.45812 
1 1 1   -8  -10   25 o   79.309   29.186   70.857   76.021   70.857   76.021   0.0000   0.0000   79.309   29.186  ?   ?  0.000000 29.18560 
1 1 1   -8  -10   26 o  341.602   18.136  1502.08  154.157  1599.69  228.916  1421.08  208.530  346.663   26.648  327.336   25.718 19.32703 37.03379 
1 1 1   -8  -10   27 o  142.266   15.710  261.477   54.880  252.944  101.242  265.027   65.307  134.112   30.870  142.221   18.853 -8.109238 36.17181 
1 1 1   -8  -10   28 o  167.032   15.785  360.512   65.061  332.601  116.173  373.267   78.532  153.174   31.426  168.759   18.963 -15.58481 36.70394 
1 1 1   -8  -10   29 o   52.677   19.305   30.251   33.210   0.0000   0.0000   30.251   33.210  ?   ?    52.677   19.305 0.000000 19.30458 
1 1 1   -8  -10   30 o  121.897   16.447  196.114   48.786  272.644  107.509  176.269   54.747  135.245   32.281  114.051   19.949 21.19322 37.94755 
1 1 1   -8  -10   31 f  225.460   16.379  668.706   91.585  713.648  156.389  645.247  112.986  221.717   28.936  217.941   21.021 3.776703 35.76550 
1 1 1   -8  -10   32 o   58.068   18.842   44.908   31.242   10.749  105.181   48.214   32.719   69.192   30.664   59.901   19.266 9.290630 36.21405 
1 1 1   -8  -10   33 o  116.429   38.244  248.055  128.566  248.055  128.566   0.0000   0.0000  116.429   38.244  ?   ?  0.000000 38.24389 
1 1 1   -8  -10   34 o   37.871   15.674   7.8795   24.194 -149.0650  100.287   17.578   24.930   48.461   23.821   42.408   16.456 6.053181 28.95214 
1 1 1   -8  -10   35 o   33.897   14.638   0.4714   22.641   65.227  115.312  -2.1251   23.090   75.009   32.710   33.294   14.575 41.71489 35.80993 
1 1 1   -8  -10   36 o   45.409   17.466   22.711   27.892   0.0000   0.0000   22.711   27.892  ?   ?    45.409   17.466 0.000000 17.46606 
1 1 1   -8  -10   37 o   72.740   20.051   80.499   37.595   0.0000   0.0000   80.499   37.595  ?   ?    72.740   20.051 0.000000 20.05145 
1 1 1   -8  -10   38 o   63.891   19.843   63.092   34.987   0.0000   0.0000   63.092   34.987  ?   ?    63.891   19.843 0.000000 19.84344 
1 1 1   -8   -9    1 o  355.726   25.311  1603.61  223.373   0.0000   0.0000  1603.61  223.373  ?   ?   355.726   25.311 0.000000 25.31087 
1 1 1   -8   -9    2 o  468.800   21.698  2763.61  254.015  2885.85  359.918  2642.30  358.548  476.510   30.406  455.517   31.718 20.99246 43.93799 
1 1 1   -8   -9    3 o   87.811   12.567   98.451   26.770   91.194   38.719  105.097   37.054   83.594   18.981   90.078   17.098 -6.484512 25.54675 
1 1 1   -8   -9    4 o  527.084   24.056  3497.49  316.630  3483.99  448.037  3510.96  447.528  522.723   34.518  524.808   34.338 -2.084900 48.68828 
1 1 1   -8   -9    5 o  754.950   33.249  7227.45  626.828  7263.87  886.830  7191.09  886.108  749.454   47.633  745.561   47.847 3.892761 67.51434 
1 1 1   -8   -9    6 o  471.340   21.928  2792.60  258.100  2793.32  365.407  2791.89  364.612  468.748   31.398  468.644   31.336 0.1040649 44.36006 
1 1 1   -8   -9    7 o  543.607   35.619  3771.18  480.856  3771.18  480.856   0.0000   0.0000  543.607   35.619  ?   ?  0.000000 35.61944 
1 1 1   -8   -9    8 o  437.659   20.590  2406.38  225.029  2516.08  319.122  2297.88  317.364  445.314   28.852  425.183   30.085 20.13116 41.68384 
1 1 1   -8   -9    9 o  239.827   14.213  722.861   84.744  795.515  121.219  653.408  118.518  250.947   19.497  227.028   21.149 23.91919 28.76425 
1 1 1   -8   -9   10 o  393.020   19.148  1940.06  187.931  1928.67  266.881  1951.26  264.682  389.690   27.604  392.073   27.202 -2.382904 38.75457 
1 1 1   -8   -9   11 o  308.888   16.190  1200.04  124.447  1298.83  177.884  1105.34  174.164  320.355   22.376  295.127   23.835 25.22794 32.69289 
1 1 1   -8   -9   12 o  445.163   30.247  2530.06  334.250   0.0000   0.0000  2530.06  334.250  ?   ?   445.163   30.247 0.000000 30.24724 
1 1 1   -8   -9   13 o  125.038   13.373  198.218   41.110  221.118   63.215  181.436   54.116  131.032   19.949  118.630   18.902 12.40241 27.48156 
1 1 1   -8   -9   14 o  338.892   17.631  1449.56  148.691  1396.01  212.179  1501.23  208.432  330.496   25.917  343.214   24.480 -12.71710 35.65020 
1 1 1   -8   -9   15 o  574.676   25.947  4208.89  372.354  4454.48  528.831  3967.43  524.375  584.501   36.412  550.193   38.407 34.30823 52.92368 
1 1 1   -8   -9   16 f  148.266   13.189  278.329   48.322  332.881   74.252  238.251   63.644  161.212   18.797  135.936   19.290 25.27687 26.93366 
1 1 1   -8   -9   17 o  627.737   42.733  5314.95  665.878  5314.95  665.878   0.0000   0.0000  627.737   42.733  ?   ?  0.000000 42.73256 
1 1 1   -8   -9   18 o  187.081   13.635  443.185   63.262  473.874   94.820  418.565   84.926  191.977   20.076  180.553   19.127 11.42439 27.72872 
1 1 1   -8   -9   19 o  283.090   15.832  1017.19  111.474  1064.90  161.850  974.142  153.757  287.230   22.751  274.698   22.615 12.53180 32.07907 
1 1 1   -8   -9   20 o  125.136   13.836  200.043   42.513  258.770   69.864  165.510   53.574  140.884   20.456  112.288   19.831 28.59575 28.49081 
1 1 1   -8   -9   21 o  198.611   13.959  500.894   68.790  561.332  104.795  455.133   91.187  208.415   20.397  187.684   19.753 20.73091 28.39363 
1 1 1   -8   -9   22 o  133.575   18.758  232.051   60.844   0.0000   0.0000  232.051   60.844  ?   ?   133.575   18.758 0.000000 18.75782 
1 1 1   -8   -9   23 o  254.527   15.323  824.813   96.940  901.457  145.591  763.770  129.931  263.348   22.350  242.553   21.680 20.79420 31.13727 
1 1 1   -8   -9   24 o   87.044   17.647  100.018   37.046  131.291   72.425   88.936   43.113   98.415   28.086   81.594   21.028 16.82147 35.08533 
1 1 1   -8   -9   25 o   86.243   18.185   98.563   37.931  118.666   75.065   91.670   43.955   94.138   29.038   82.748   21.182 11.38937 35.94250 
1 1 1   -8   -9   26 o  330.685   27.593  1456.09  225.776  1456.09  225.776   0.0000   0.0000  330.685   27.593  ?   ?  0.000000 27.59282 
1 1 1   -8   -9   27 o  263.608   16.246  890.258  106.421  933.123  164.369  859.321  139.640  265.353   25.104  256.267   22.035 9.086212 33.40244 
1 1 1   -8   -9   28 o  155.691   15.508  312.324   59.490  362.485  108.369  290.688   71.173  162.851   27.636  148.767   19.638 14.08383 33.90286 
1 1 1   -8   -9   29 o  265.414   17.025  910.358  112.246  884.648  176.147  927.936  145.646  254.354   28.207  264.877   22.225 -10.52332 35.91090 
1 1 1   -8   -9   30 o   53.633   18.905   33.764   31.492   0.0000   0.0000   33.764   31.492  ?   ?    53.633   18.905 0.000000 18.90523 
1 1 1   -8   -9   31 o  186.251   15.755  452.522   72.589  499.273  135.490  433.700   85.968  185.870   30.230  180.358   19.392 5.512619 35.91520 
1 1 1   -8   -9   32 o   84.164   18.124   96.974   36.966  134.459   97.507   90.683   39.948   94.983   33.282   80.780   19.927 14.20392 38.79132 
1 1 1   -8   -9   33 o  210.328   15.972  586.741   83.264  684.026  149.826  543.268  100.155  214.171   28.739  198.683   20.480 15.48772 35.28994 
1 1 1   -8   -9   34 o   62.463   28.518 -15.5983   98.950 -15.5983   98.950   0.0000   0.0000   62.463   28.518  ?   ?  0.000000 28.51799 
1 1 1   -8   -9   35 o   43.885   16.999   19.244   26.566 -93.5014  108.621   26.418   27.398   55.513   26.700   47.473   17.513 8.040092 31.93094 
1 1 1   -8   -9   36 o   31.449   14.013  -5.8685   22.263 -103.1705  119.647  -2.3787   22.659   56.712   27.459   32.904   14.420 23.80865 31.01512 
1 1 1   -8   -9   37 o   41.380   16.686   14.517   26.557   0.0000   0.0000   14.517   26.557  ?   ?    41.380   16.686 0.000000 16.68577 
1 1 1   -8   -9   38 o   72.475   20.183   80.201   37.880   0.0000   0.0000   80.201   37.880  ?   ?    72.475   20.183 0.000000 20.18337 
1 1 1   -8   -8    1 o  360.681   13.853  1629.58  124.773  1911.65  217.267  1490.77  152.413  388.996   22.462  344.163   17.795 44.83270 28.65659 
1 1 1   -8   -8    2 o  407.244   27.989  2106.53  282.911   0.0000   0.0000  2106.53  282.911  ?   ?   407.244   27.989 0.000000 27.98912 
1 1 1   -8   -8    3 o  666.441   29.623  5620.78  493.000  5464.08  697.153  5777.53  697.263  650.926   43.133  670.009   41.884 -19.08313 60.12300 
1 1 1   -8   -8    4 o  840.467   36.832  8996.90  773.032  9166.75  1093.85  8827.44  1092.62  838.458   52.507  822.067   53.516 16.39191 74.97324 
1 1 1   -8   -8    5 o  472.266   21.925  2803.97  258.573  2853.31  366.017  2754.81  365.339  473.791   31.109  465.367   31.625 8.424316 44.36118 
1 1 1   -8   -8    6 f  435.241   20.535  2379.22  223.185  2429.89  316.081  2328.84  315.183  437.632   29.088  428.263   29.654 9.369080 41.53902 
1 1 1   -8   -8    7 o  607.005   27.175  4647.60  411.923  4744.34  583.060  4551.19  582.035  609.042   38.535  596.177   39.316 12.86499 55.05196 
1 1 1   -8   -8    8 o  288.405   22.398  1051.98  160.048  1051.98  160.048   0.0000   0.0000  288.405   22.398  ?   ?  0.000000 22.39841 
1 1 1   -8   -8    9 o  308.635   16.343  1197.20  125.512  1163.70  178.008  1230.32  176.999  303.170   23.701  311.921   22.883 -8.750549 32.94530 
1 1 1   -8   -8   10 f  630.420   28.153  5020.97  443.202  5121.02  627.621  4921.45  625.945  631.756   39.989  618.969   40.724 12.78711 57.07520 
1 1 1   -8   -8   11 o  205.511   13.620  531.198   69.500  530.190  100.173  532.132   96.505  204.479   19.869  204.980   19.072 -0.5017395 27.54108 
1 1 1   -8   -8   12 o  426.107   20.351  2283.38  216.546  2292.40  307.484  2274.50  305.015  424.388   29.192  422.754   29.069 1.633942 41.19647 
1 1 1   -8   -8   13 f  432.351   29.575  2384.47  317.393   0.0000   0.0000  2384.47  317.393  ?   ?   432.351   29.575 0.000000 29.57508 
1 1 1   -8   -8   14 o  178.117   13.290  399.899   58.688  437.462   86.893  368.389   79.584  185.470   19.031  170.029   19.072 15.44110 26.94290 
1 1 1   -8   -8   15 o  763.761   34.138  7507.12  651.094  7539.79  922.070  7474.65  919.508  751.991   49.376  748.639   49.464 3.352356 69.89060 
1 1 1   -8   -8   16 o  167.495   13.591  354.561   56.356  338.687   84.062  367.520   75.952  162.247   21.259  169.759   18.201 -7.511139 27.98606 
1 1 1   -8   -8   17 o  739.250   33.427  7098.56  617.084  7157.64  874.580  7039.99  870.810  725.696   48.541  719.424   48.760 6.271973 68.80187 
1 1 1   -8   -8   18 o  283.196   23.315  1030.70  163.415  1030.70  163.415   0.0000   0.0000  283.196   23.315  ?   ?  0.000000 23.31461 
1 1 1   -8   -8   19 o  113.102   14.563  163.931   40.176  148.460   63.389  174.318   51.940  105.496   24.527  115.818   18.588 -10.32167 30.77414 
1 1 1   -8   -8   20 o  403.951   19.959  2081.13  201.338  2092.68  288.094  2070.10  281.491  399.482   29.079  397.661   28.536 1.821533 40.74191 
1 1 1   -8   -8   21 o  169.761   13.478  365.849   56.665  446.326   88.593  310.130   73.716  186.111   19.345  154.756   19.508 31.35426 27.47391 
1 1 1   -8   -8   22 o  450.880   31.833  2708.25  356.112   0.0000   0.0000  2708.25  356.112  ?   ?   450.880   31.833 0.000000 31.83280 
1 1 1   -8   -8   24 f   55.297   18.752   36.497   30.869 -12.9825   65.271   50.752   35.034   55.454   24.384   63.179   19.895 -7.725090 31.47077 
1 1 1   -8   -8   25 o  139.533   15.556  250.130   53.279  170.261   89.175  294.467   66.441  111.271   30.961  150.864   17.991 -39.59331 35.80843 
1 1 1   -8   -8   26 o  207.602   15.233  550.149   78.418  554.532  124.359  547.256  101.038  204.837   24.818  205.471   19.943 -0.6333923 31.83817 
1 1 1   -8   -8   27 o  181.897   26.401  443.125  116.418  443.125  116.418   0.0000   0.0000  181.897   26.401  ?   ?  0.000000 26.40093 
1 1 1   -8   -8   28 o  123.616   15.452  197.476   46.656  301.946   95.813  165.004   53.417  149.186   26.699  111.580   19.901 37.60519 33.29972 
1 1 1   -8   -8   29 o  117.608   17.135  180.861   48.844   91.997   99.540  209.044   56.057   88.963   33.269  126.221   18.320 -37.25893 37.97961 
1 1 1   -8   -8   30 o  164.743   15.550  350.662   63.216  334.512  112.897  358.039   76.299  153.995   30.437  165.218   18.829 -11.22292 35.79023 
1 1 1   -8   -8   31 o   74.272   20.019   74.984   37.972   0.0000   0.0000   74.984   37.972  ?   ?    74.272   20.019 0.000000 20.01919 
1 1 1   -8   -8   32 o   44.231   17.161   17.394   27.107  137.483   92.967   6.2355   28.339   97.086   32.544   40.472   16.874 56.61390 36.65852 
1 1 1   -8   -8   33 o  268.013   17.218  951.026  114.628  1014.88  187.126  912.672  145.022  263.976   28.857  257.114   22.824 6.861511 36.79240 
1 1 1   -8   -8   34 o  142.499   15.895  270.931   55.599  360.910  124.683  248.598   62.117  149.249   34.188  134.639   19.004 14.60983 39.11485 
1 1 1   -8   -8   35 o  118.249   38.482  259.027  130.286  259.027  130.286   0.0000   0.0000  118.249   38.482  ?   ?  0.000000 38.48240 
1 1 1   -8   -8   36 o   98.167   18.761  136.266   44.314   33.908  125.849  150.754   47.347   73.446   32.978  103.176   19.079 -29.73012 38.09900 
1 1 1   -8   -8   37 o   30.798   13.856  -8.0895   22.342 -35.4658  120.866  -7.1209   22.734   63.124   29.723   31.394   14.062 31.73014 32.88123 
1 1 1   -8   -8   38 o   62.968   19.668   58.154   34.317   0.0000   0.0000   58.154   34.317  ?   ?    62.968   19.668 0.000000 19.66844 
1 1 1   -8   -8   39 o  109.920   19.922  180.582   52.670   0.0000   0.0000  180.582   52.670  ?   ?   109.920   19.922 0.000000 19.92185 
1 1 1   -8   -7    1 o  307.724   12.986  1186.10   99.788  1235.06  173.360  1161.85  122.032  312.258   22.381  303.877   16.139 8.380859 27.59302 
1 1 1   -8   -7    2 o  129.749   9.4366  211.640   30.366  216.337   53.397  209.395   36.916  130.242   16.810  128.829   11.599 1.412598 20.42372 
1 1 1   -8   -7    3 o  633.227   40.903  5164.46  643.338   0.0000   0.0000  5164.46  643.338  ?   ?   633.227   40.903 0.000000 40.90316 
1 1 1   -8   -7    4 o  750.963   33.111  7162.04  620.934  7253.21  878.496  7071.02  877.771  747.884   47.282  738.047   47.885 9.837158 67.29452 
1 1 1   -8   -7    5 o  476.747   22.113  2858.49  263.265  2764.32  372.296  2952.68  372.331  465.895   32.197  481.884   31.107 -15.98880 44.76982 
1 1 1   -8   -7    6 o  535.388   24.310  3609.15  325.012  3731.46  460.170  3487.41  459.104  541.142   34.229  522.714   35.380 18.42798 49.22826 
1 1 1   -8   -7    7 o  804.010   35.295  8210.59  708.635  8244.93  1002.53  8176.31  1001.80  797.145   50.625  793.701   50.811 3.444092 71.72631 
1 1 1   -8   -7    8 f  863.323   37.799  9488.02  814.896  9541.02  1152.78  9435.09  1152.09  855.592   54.235  850.623   54.525 4.969238 76.90509 
1 1 1   -8   -7    9 f  344.956   24.999  1506.17  213.887  1506.17  213.887   0.0000   0.0000  344.956   24.999  ?   ?  0.000000 24.99930 
1 1 1   -8   -7   10 o  888.922   38.933 10077.14  864.228 10081.36  1222.67 10072.93  1221.74  877.756   56.073  877.402   56.054 0.3542480 79.28577 
1 1 1   -8   -7   11 o  488.004   22.651  2995.99  276.030  2959.22  390.951  3032.54  389.784  481.995   32.674  488.105   32.159 -6.110657 45.84515 
1 1 1   -8   -7   12 o  278.432   15.429  974.549  106.856  996.533  152.668  953.436  149.614  280.606   21.962  274.424   22.018 6.181824 31.09853 
1 1 1   -8   -7   13 o  470.336   21.946  2785.18  257.755  2843.58  365.829  2727.60  363.226  472.273   31.195  462.363   31.649 9.910675 44.43886 
1 1 1   -8   -7   14 o  226.874   20.025  652.666  112.289   0.0000   0.0000  652.666  112.289  ?   ?   226.874   20.025 0.000000 20.02547 
1 1 1   -8   -7   15 o  331.009   17.308  1381.10  142.567  1360.36  203.511  1401.09  199.782  326.803   25.130  331.903   24.273 -5.100739 34.93816 
1 1 1   -8   -7   16 o  466.789   21.823  2755.14  254.386  2868.73  361.715  2643.97  357.829  472.451   30.828  453.065   31.830 19.38586 44.31123 
1 1 1   -8   -7   17 o  708.107   31.931  6459.69  564.636  6463.06  800.048  6456.35  796.992  695.318   46.342  695.120   46.177 0.1982422 65.42074 
1 1 1   -8   -7   18 o  542.515   25.008  3759.09  338.793  3843.93  481.237  3675.72  477.042  541.267   35.806  528.863   36.342 12.40442 51.01768 
1 1 1   -8   -7   19 o  244.325   21.994  766.451  132.752  766.451  132.752   0.0000   0.0000  244.325   21.994  ?   ?  0.000000 21.99397 
1 1 1   -8   -7   20 o  386.110   19.169  1894.69  184.828  1940.04  264.481  1851.40  258.397  386.209   27.605  377.233   27.622 8.975677 39.05172 
1 1 1   -8   -7   21 o  419.479   20.744  2248.02  217.297  2180.27  310.297  2313.23  304.396  406.626   30.787  420.002   29.204 -13.37534 42.43480 
1 1 1   -8   -7   22 o  136.461   14.369  237.791   48.230  253.563   77.672  227.893   61.531  138.642   23.258  132.419   19.165 6.223358 30.13696 
1 1 1   -8   -7   23 o  175.951   13.950  393.520   60.792  475.300   96.384  339.495   78.340  191.661   20.454  161.845   19.796 29.81572 28.46520 
1 1 1   -8   -7   24 o  120.566   18.967  189.849   55.218   0.0000   0.0000  189.849   55.218  ?   ?   120.566   18.967 0.000000 18.96672 
1 1 1   -8   -7   25 o  242.680   15.321  749.690   92.373  793.149  140.122  716.286  122.847  246.758   23.005  235.164   21.145 11.59378 31.24641 
1 1 1   -8   -7   26 o  109.500   15.651  155.166   41.580  214.331   81.973  134.669   48.247  125.723   26.922  100.838   19.867 24.88414 33.45840 
1 1 1   -8   -7   27 f  173.271   14.776  383.490   63.322  427.824  108.997  360.904   77.798  179.566   24.984  166.825   19.015 12.74095 31.39709 
1 1 1   -8   -7   28 o  120.609   29.822  201.339   89.312  201.339   89.312   0.0000   0.0000  120.609   29.822  ?   ?  0.000000 29.82153 
1 1 1   -8   -7   29 o  273.979   16.173  961.196  110.161  1052.59  170.307  895.446  144.449  282.401   24.389  261.476   22.337 20.92487 33.07209 
1 1 1   -8   -7   30 o  349.292   19.516  1583.41  169.546  1482.22  251.075  1668.22  229.874  328.693   30.953  353.237   26.247 -24.54471 40.58377 
1 1 1   -8   -7   31 o   64.038   19.407   53.981   33.719   35.228   89.553   57.079   36.398   73.067   30.191   65.860   20.204 7.206657 36.32784 
1 1 1   -8   -7   32 o   69.680   20.384   65.511   37.720   0.0000   0.0000   65.511   37.720  ?   ?    69.680   20.384 0.000000 20.38393 
1 1 1   -8   -7   33 o  109.026   17.701  159.369   46.538   86.893  104.874  177.141   51.932   85.345   33.569  114.592   18.800 -29.24696 38.47474 
1 1 1   -8   -7   34 o   47.850   18.038   23.966   29.377 -12.9932  104.603   27.131   30.609   66.262   29.880   49.723   18.477 16.53889 35.13168 
1 1 1   -8   -7   35 o  160.202   16.687  344.362   65.776  314.311  135.048  353.708   75.313  133.733   38.412  160.673   19.148 -26.94038 42.91960 
1 1 1   -8   -7   36 o   71.057   31.803   19.854  116.060   19.854  116.060   0.0000   0.0000   71.057   31.803  ?   ?  0.000000 31.80335 
1 1 1   -8   -7   37 o  148.693   17.077  303.313   62.258  293.792  144.123  305.497   69.031  120.135   40.519  147.562   19.187 -27.42680 44.83244 
1 1 1   -8   -7   38 o   92.646   18.595  122.914   41.525  204.969  141.967  115.237   43.424   98.814   38.996   88.728   20.068 10.08564 43.85679 
1 1 1   -8   -7   39 o   70.505   20.316   74.653   37.722   0.0000   0.0000   74.653   37.722  ?   ?    70.505   20.316 0.000000 20.31565 
1 1 1   -8   -7   40 o  104.332   20.003  163.742   50.219   0.0000   0.0000  163.742   50.219  ?   ?   104.332   20.003 0.000000 20.00309 
1 1 1   -8   -6    1 o  142.420   9.5368  254.875   33.722  233.481   58.683  265.423   41.204  135.151   17.823  145.151   11.461 -10.00064 21.18945 
1 1 1   -8   -6    2 o  532.300   19.717  3565.03  262.085  3719.08  454.540  3488.31  320.778  538.656   33.966  525.464   24.446 13.19183 41.84829 
1 1 1   -8   -6    3 o  278.546   11.910  971.255   82.845  743.841  143.235  1085.58  101.555  241.653   24.056  294.352   13.816 -52.69940 27.74088 
1 1 1   -8   -6    4 o  523.513   34.461  3504.44  447.997   0.0000   0.0000  3504.44  447.997  ?   ?   523.513   34.461 0.000000 34.46132 
1 1 1   -8   -6    5 o  499.349   17.682  3128.63  220.491  3591.31  383.258  2899.74  269.569  532.064   28.954  480.013   22.489 52.05118 36.66200 
1 1 1   -8   -6    6 o  344.121   17.376  1488.91  148.835  1493.47  210.787  1484.36  210.183  343.433   24.744  342.379   24.750 1.054138 34.99761 
1 1 1   -8   -6    7 o  508.900   23.350  3258.50  296.734  3274.48  419.861  3242.54  419.429  507.097   33.342  504.568   33.478 2.528992 47.24911 
1 1 1   -8   -6    8 o  507.217   23.271  3236.04  294.755  3282.77  417.229  3189.49  416.465  507.939   33.074  500.515   33.514 7.423828 47.08597 
1 1 1   -8   -6    9 o  529.849   24.118  3532.83  319.110  3646.78  451.852  3419.45  450.730  535.250   33.982  517.911   35.057 17.33905 48.82373 
1 1 1   -8   -6   10 o  595.800   38.616  4539.75  571.441  4539.75  571.441   0.0000   0.0000  595.800   38.616  ?   ?  0.000000 38.61580 
1 1 1   -8   -6   11 o  1031.49   45.096 13662.11  1161.59 13819.25  1643.41 13505.23  1642.06  1020.82   64.804  1008.43   65.563 12.39386 92.18456 
1 1 1   -8   -6   12 o  521.065   23.894  3418.42  310.905  3427.88  440.355  3409.01  439.021  518.466   34.204  517.034   34.196 1.432129 48.36619 
1 1 1   -8   -6   13 o  659.583   29.352  5505.81  483.458  5628.01  684.800  5384.38  682.631  661.174   41.690  646.249   42.537 14.92450 59.56038 
1 1 1   -8   -6   14 o  253.032   14.881  805.252   93.614  796.466  134.033  813.622  130.808  250.635   21.627  253.473   20.851 -2.837479 30.04109 
1 1 1   -8   -6   15 o  413.205   28.577  2176.48  293.061   0.0000   0.0000  2176.48  293.061  ?   ?   413.205   28.577 0.000000 28.57705 
1 1 1   -8   -6   16 o  272.688   15.481  936.583  104.981  947.373  151.169  926.531  145.903  272.984   22.372  270.062   21.821 2.922729 31.25177 
1 1 1   -8   -6   17 o  251.379   14.947  796.558   93.408  805.094  134.584  788.623  129.747  251.436   21.646  248.961   21.067 2.475235 30.20544 
1 1 1   -8   -6   18 o  457.897   21.550  2656.74  246.420  2768.56  350.758  2547.76  346.265  463.146   30.498  443.758   31.451 19.38760 43.80998 
1 1 1   -8   -6   19 o  424.746   20.657  2288.64  219.097  2249.17  311.932  2327.07  307.809  416.375   30.206  424.048   29.247 -7.673706 42.04486 
1 1 1   -8   -6   20 o  576.772   39.494  4451.54  565.416  4451.54  565.416   0.0000   0.0000  576.772   39.494  ?   ?  0.000000 39.49438 
1 1 1   -8   -6   21 o  454.733   31.700  2720.66  357.721   0.0000   0.0000  2720.66  357.721  ?   ?   454.733   31.700 0.000000 31.70030 
1 1 1   -8   -6   22 o  225.915   22.282  660.128  124.070  660.128  124.070   0.0000   0.0000  225.915   22.282  ?   ?  0.000000 22.28242 
1 1 1   -8   -6   23 o  168.829   14.144  362.430   59.083  374.539   91.295  353.703   77.501  169.524   22.091  165.551   19.097 3.973053 29.20103 
1 1 1   -8   -6   24 f  252.250   15.705  809.370   98.437  769.512  145.562  842.958  133.624  242.837   24.331  255.583   21.126 -12.74498 32.22285 
1 1 1   -8   -6   25 o  116.699   18.717  177.865   52.700   0.0000   0.0000  177.865   52.700  ?   ?   116.699   18.717 0.000000 18.71654 
1 1 1   -8   -6   26 f  102.378   15.918  136.031   39.372  201.488   76.308  112.282   45.963  122.279   25.801   91.832   20.556 30.44640 32.98826 
1 1 1   -8   -6   27 o  385.093   19.970  1907.21  191.385  1854.07  277.068  1955.70  264.677  372.957   30.003  384.852   27.726 -11.89511 40.85254 
1 1 1   -8   -6   28 o  287.528   16.735  1056.66  119.640  1065.62  179.247  1049.47  160.666  284.490   25.502  283.739   22.870 0.7509460 34.25425 
1 1 1   -8   -6   29 o  211.418   25.469  593.314  131.756  593.314  131.756   0.0000   0.0000  211.418   25.469  ?   ?  0.000000 25.46873 
1 1 1   -8   -6   30 o  192.852   15.338  476.565   73.258  477.349  122.625  476.130   91.352  188.252   26.845  191.324   19.388 -3.072632 33.11444 
1 1 1   -8   -6   31 o  153.557   15.298  303.956   57.880  392.605  111.547  271.295   67.708  169.555   27.269  143.626   19.372 25.92854 33.44995 
1 1 1   -8   -6   32 o  240.901   15.770  748.641   94.347  872.585  155.263  676.082  118.796  254.423   24.751  225.909   21.310 28.51413 32.66069 
1 1 1   -8   -6   33 o  128.511   18.870  220.404   58.752   0.0000   0.0000  220.404   58.752  ?   ?   128.511   18.870 0.000000 18.86972 
1 1 1   -8   -6   34 o  115.324   17.116  177.515   47.797  178.648  112.720  177.267   52.776  107.341   35.836  114.352   19.160 -7.009979 40.63592 
1 1 1   -8   -6   35 o  287.476   17.355  1099.11  124.002  1271.13  202.233  995.473  156.974  295.827   27.698  266.480   23.841 29.34729 36.54551 
1 1 1   -8   -6   36 o   63.640   19.292   56.149   33.320   43.558  116.492   57.271   34.773   75.806   32.970   64.247   19.754 11.55893 38.43481 
1 1 1   -8   -6   37 o  180.875   38.696  582.554  169.495  582.554  169.495   0.0000   0.0000  180.875   38.696  ?   ?  0.000000 38.69561 
1 1 1   -8   -6   38 o   81.192   19.197   94.690   38.309  130.778  133.839   91.470   39.982   88.446   36.757   79.327   20.146 9.118858 41.91527 
1 1 1   -8   -6   39 o   53.992   18.785   39.124   31.037   34.741  139.243   39.354   31.838   73.342   33.614   54.235   19.017 19.10643 38.62049 
1 1 1   -8   -6   40 o  137.352   19.668  275.235   65.533   0.0000   0.0000  275.235   65.533  ?   ?   137.352   19.668 0.000000 19.66775 
1 1 1   -8   -5    1 o   58.648   8.7939   43.974   12.482   38.657   17.598   49.358   17.707   54.451   13.101   61.735   11.917 -7.284515 17.71065 
1 1 1   -8   -5    2 o  498.641   16.110  3122.02  200.596  3152.97  283.750  3091.09  283.621  499.720   22.738  494.739   22.957 4.981049 32.31170 
1 1 1   -8   -5    3 o  470.160   16.815  2775.77  197.417  3137.42  342.971  2596.57  241.421  496.687   27.763  453.953   21.297 42.73367 34.99052 
1 1 1   -8   -5    4 o  166.122   17.492  350.276   71.472   0.0000   0.0000  350.276   71.472  ?   ?   166.122   17.492 0.000000 17.49178 
1 1 1   -8   -5    5 o  281.394   21.786  1002.37  151.895   0.0000   0.0000  1002.37  151.895  ?   ?   281.394   21.786 0.000000 21.78587 
1 1 1   -8   -5    6 o  495.831   18.407  3085.80  227.915  3332.05  395.710  2963.57  278.803  511.853   31.106  485.196   23.011 26.65710 38.69211 
1 1 1   -8   -5    7 o  870.177   30.900  9585.95  671.444  9748.37  1163.57  9504.87  822.138  863.815   54.216  863.398   38.131 0.4163818 66.28271 
1 1 1   -8   -5    8 o  924.438   40.424 10912.65  933.191 10961.37  1320.02 10863.98  1319.44  914.152   58.126  909.878   58.379 4.273743 82.38179 
1 1 1   -8   -5    9 o  442.970   20.821  2464.34  230.318  2534.42  326.190  2394.66  325.251  447.009   29.385  434.269   30.180 12.73996 42.12254 
1 1 1   -8   -5   10 o  981.365   42.837 12318.87  1049.78 12491.30  1485.15 12146.70  1484.08  974.444   61.346  960.157   62.231 14.28735 87.38453 
1 1 1   -8   -5   11 o  786.378   50.153  8011.46  979.732  8011.46  979.732   0.0000   0.0000  786.378   50.153  ?   ?  0.000000 50.15279 
1 1 1   -8   -5   12 o  247.496   14.540  769.689   89.467  791.376  127.236  748.480  125.827  250.196   20.546  243.217   20.921 6.978348 29.32274 
1 1 1   -8   -5   13 o  735.810   32.474  6864.71  596.696  7001.75  844.633  6728.18  843.081  736.102   46.183  721.050   47.081 15.05194 65.95073 
1 1 1   -8   -5   14 o  397.271   19.256  1982.21  191.035  2031.77  271.362  1933.52  268.982  400.122   27.322  390.176   27.788 9.945953 38.97001 
1 1 1   -8   -5   15 o  463.971   21.737  2710.45  251.846  2766.97  357.352  2654.68  354.986  465.836   30.895  456.101   31.358 9.734985 44.02043 
1 1 1   -8   -5   16 o  585.275   38.370  4423.71  557.689   0.0000   0.0000  4423.71  557.689  ?   ?   585.275   38.370 0.000000 38.36995 
1 1 1   -8   -5   17 o  287.604   16.033  1042.33  114.692  1005.18  164.281  1077.65  160.195  280.903   23.639  291.253   22.193 -10.35010 32.42432 
1 1 1   -8   -5   18 o  393.198   19.439  1950.90  190.869  1894.98  271.657  2005.42  268.234  384.220   28.517  395.755   27.309 -11.53448 39.48387 
1 1 1   -8   -5   19 o  586.329   26.811  4394.30  392.553  4448.07  557.004  4341.24  553.321  581.662   38.566  574.433   38.801 7.228882 54.70698 
1 1 1   -8   -5   20 o  433.072   20.866  2381.27  225.653  2419.64  321.681  2344.09  316.622  431.805   30.019  424.976   30.028 6.828857 42.45986 
1 1 1   -8   -5   21 o  345.664   26.302  1545.88  225.328  1545.88  225.328   0.0000   0.0000  345.664   26.302  ?   ?  0.000000 26.30158 
1 1 1   -8   -5   22 o  468.987   22.327  2814.71  261.485  2873.86  372.759  2757.40  366.902  466.895   32.167  457.165   32.347 9.730530 45.61909 
1 1 1   -8   -5   23 o  151.198   13.635  290.584   50.929  334.940   81.370  262.016   65.302  160.680   20.765  142.335   18.835 18.34570 28.03464 
1 1 1   -8   -5   24 o   55.750   17.985   38.527   28.495   53.369   58.873   33.987   32.563   70.354   25.715   54.758   19.231 15.59634 32.11047 
1 1 1   -8   -5   25 o  177.202   14.215  399.306   62.375  392.757   97.165  403.897   81.349  173.234   23.032  177.078   18.678 -3.843964 29.65373 
1 1 1   -8   -5   26 o  289.654   22.995  1088.48  164.960   0.0000   0.0000  1088.48  164.960  ?   ?   289.654   22.995 0.000000 22.99507 
1 1 1   -8   -5   27 o  268.965   16.336  922.210  109.205  878.111  162.669  958.393  147.345  258.652   25.517  272.033   21.875 -13.38028 33.61034 
1 1 1   -8   -5   28 o  296.967   16.660  1125.40  123.045  1197.75  183.825  1066.67  165.620  302.666   24.532  286.119   23.384 16.54712 33.89212 
1 1 1   -8   -5   29 o   64.232   19.318   53.517   33.505   54.809   75.246   53.197   37.420   74.945   28.720   64.710   20.582 10.23475 35.33374 
1 1 1   -8   -5   30 o  117.663   31.006  192.518   92.384  192.518   92.384   0.0000   0.0000  117.663   31.006  ?   ?  0.000000 31.00583 
1 1 1   -8   -5   31 o  153.456   15.766  303.381   59.559  279.248  108.357  313.828   71.295  141.127   31.540  155.127   18.787 -14.00066 36.71180 
1 1 1   -8   -5   32 o  379.626   18.269  1860.86  173.187  2275.38  261.864  1538.59  230.896  412.713   25.534  337.214   27.663 75.49869 37.64602 
1 1 1   -8   -5   33 o  358.128   18.708  1674.24  166.725  1886.13  252.753  1511.02  221.832  371.082   27.471  332.540   26.945 38.54242 38.47975 
1 1 1   -8   -5   34 o   70.411   19.779   67.461   36.214   80.502  107.399   65.788   38.467   85.157   33.819   69.675   20.641 15.48215 39.62050 
1 1 1   -8   -5   35 o  205.429   16.899  557.013   85.922  488.641  153.179  588.402  103.788  176.757   35.928  208.854   20.150 -32.09734 41.19282 
1 1 1   -8   -5   36 o   93.517   18.890  120.945   42.594  115.955  116.596  121.713   45.757   90.231   35.426   93.214   20.238 -2.982872 40.79870 
1 1 1   -8   -5   37 o  155.115   16.668  323.976   63.550  374.745  142.319  311.333   71.024  145.576   38.543  150.164   19.393 -4.588593 43.14674 
1 1 1   -8   -5   38 f   50.485   24.986 -196.1899  117.018 -196.1899  117.018   0.0000   0.0000   50.485   24.986  ?   ?  0.000000 24.98638 
1 1 1   -8   -5   39 o  129.429   17.462  231.991   54.997  316.020  154.668  219.829   58.842  121.445   41.953  124.435   19.584 -2.989799 46.29847 
1 1 1   -8   -5   40 o  175.404   17.694  430.220   76.445  494.621  182.071  416.438   84.229  144.113   45.351  169.831   20.261 -25.71779 49.67089 
1 1 1   -8   -5   41 o   69.890   20.480   74.085   38.049   0.0000   0.0000   74.085   38.049  ?   ?    69.890   20.480 0.000000 20.48040 
1 1 1   -8   -4    1 o  217.244   9.0157  590.457   48.910  593.709   69.196  587.209   69.144  217.247   12.812  216.042   12.875 1.204391 18.16300 
1 1 1   -8   -4    2 o  650.761   20.411  5339.51  331.701  5346.92  469.074  5332.09  469.116  648.023   28.987  647.104   29.031 0.9184570 41.02451 
1 1 1   -8   -4    3 o  195.185   8.9553  476.517   43.649  472.131   61.702  480.910   61.757  193.685   12.830  195.498   12.719 -1.813248 18.06602 
1 1 1   -8   -4    4 o  525.443   19.539  3473.73  256.371  3478.17  444.279  3471.51  313.908  520.587   34.369  524.265   23.977 -3.677795 41.90608 
1 1 1   -8   -4    5 f  416.922   28.562  2212.28  295.579   0.0000   0.0000  2212.28  295.579  ?   ?   416.922   28.562 0.000000 28.56234 
1 1 1   -8   -4    6 o  449.308   21.023  2538.98  235.883   0.0000   0.0000  2538.98  235.883  ?   ?   449.308   21.023 0.000000 21.02335 
1 1 1   -8   -4    7 o  602.760   22.000  4569.74  331.151  4543.10  573.924  4583.04  405.451  595.250   38.823  602.537   26.947 -7.287781 47.25819 
1 1 1   -8   -4    8 o  1340.19   46.883 23128.62  1569.02 24830.54  2720.78 22280.61  1920.54  1346.42   81.303  1303.90   58.983 42.52209 100.4448 
1 1 1   -8   -4    9 o  519.067   19.320  3381.16  250.431  3419.36  434.282  3362.12  306.530  518.271   33.739  516.938   23.746 1.333191 41.25780 
1 1 1   -8   -4   10 o  586.202   26.381  4330.21  386.184  4337.98  546.416  4322.46  545.876  582.793   37.748  581.733   37.781 1.059998 53.40769 
1 1 1   -8   -4   11 o  329.119   16.929  1361.13  138.661  1401.77  196.384  1320.72  195.809  332.997   23.773  323.061   24.453 9.935944 34.10380 
1 1 1   -8   -4   12 o  335.051   24.562  1420.37  204.072  1420.37  204.072   0.0000   0.0000  335.051   24.562  ?   ?  0.000000 24.56170 
1 1 1   -8   -4   13 o  661.240   29.428  5525.07  485.928  5558.81  687.642  5491.41  686.770  657.945   42.073  653.836   42.289 4.109070 59.65283 
1 1 1   -8   -4   14 o  741.688   32.755  6977.62  606.660  7048.64  858.647  6906.83  857.249  738.124   46.826  730.405   47.253 7.719543 66.52447 
1 1 1   -8   -4   15 o  1018.99   44.732 13385.52  1138.26 13617.27  1610.86 13154.42  1608.62  1009.44   64.238  990.930   65.374 18.51337 91.65296 
1 1 1   -8   -4   16 o  507.052   23.296  3242.17  294.969  3380.37  418.494  3105.72  415.818  514.295   32.756  492.427   34.024 21.86835 47.22907 
1 1 1   -8   -4   17 o  518.415   34.483  3454.85  443.859   0.0000   0.0000  3454.85  443.859  ?   ?   518.415   34.483 0.000000 34.48270 
1 1 1   -8   -4   18 o  218.496   14.191  601.572   77.010  617.853  112.156  587.049  105.928  220.348   20.623  214.867   19.971 5.480911 28.70738 
1 1 1   -8   -4   19 o  570.791   26.119  4149.38  372.298  4199.31  528.132  4100.06  524.901  567.264   37.494  560.343   37.732 6.920288 53.19308 
1 1 1   -8   -4   20 o  464.170   31.839  2795.89  366.819   0.0000   0.0000  2795.89  366.819  ?   ?   464.170   31.839 0.000000 31.83882 
1 1 1   -8   -4   21 o  444.480   21.342  2512.00  236.880  2531.68  337.420  2492.88  332.630  440.972   30.836  437.686   30.626 3.285522 43.46030 
1 1 1   -8   -4   22 o  674.865   46.544  6272.75  779.600  6272.75  779.600   0.0000   0.0000  674.865   46.544  ?   ?  0.000000 46.54438 
1 1 1   -8   -4   23 o  342.309   17.901  1490.70  152.487  1493.11  219.144  1488.44  212.316  339.102   26.079  338.967   25.264 0.1354370 36.30970 
1 1 1   -8   -4   24 o  139.768   14.101  248.968   48.544  258.573   78.323  242.977   61.858  140.177   23.186  137.048   18.551 3.128754 29.69395 
1 1 1   -8   -4   25 o  116.437   15.186  174.294   43.104  152.253   72.374  186.409   53.659  106.202   27.177  119.685   18.554 -13.48243 32.90668 
1 1 1   -8   -4   26 o  131.219   14.397  220.172   46.401  257.143   77.603  199.599   57.889  139.624   23.062  123.662   19.383 15.96102 30.12596 
1 1 1   -8   -4   27 o  288.626   22.943  1080.30  163.995   0.0000   0.0000  1080.30  163.995  ?   ?   288.626   22.943 0.000000 22.94260 
1 1 1   -8   -4   28 o  131.468   15.245  221.854   49.121  203.853   84.070  231.185   60.527  122.418   28.096  133.362   18.688 -10.94397 33.74342 
1 1 1   -8   -4   29 o  269.367   15.992  924.895  107.092  1004.96  163.006  864.096  142.049  277.492   23.752  257.860   22.279 19.63272 32.56559 
1 1 1   -8   -4   30 f  198.942   15.512  505.719   76.453  470.918  123.358  527.423   97.419  187.622   27.116  201.857   19.572 -14.23488 33.44148 
1 1 1   -8   -4   31 o  253.336   26.149  852.448  163.044  852.448  163.044   0.0000   0.0000  253.336   26.149  ?   ?  0.000000 26.14862 
1 1 1   -8   -4   32 o  203.443   16.077  531.959   81.009  487.681  135.357  556.669  101.117  188.455   29.749  206.637   19.840 -18.18103 35.75816 
1 1 1   -8   -4   33 o  389.620   19.633  1978.42  190.402  2224.19  285.901  1782.54  255.239  403.981   28.524  361.519   28.504 42.46182 40.32448 
1 1 1   -8   -4   34 o   95.662   18.136  122.597   41.739  169.683  104.980  113.756   45.490  107.708   34.496   91.365   20.448 16.34380 40.10147 
1 1 1   -8   -4   35 o   68.282   19.602   63.378   35.178   82.773  109.478   61.145   37.148   85.573   34.094   67.299   20.364 18.27452 39.71235 
1 1 1   -8   -4   36 o  153.824   16.125  312.783   61.019  431.787  134.238  281.790   68.505  167.702   33.229  144.098   19.542 23.60373 38.54938 
1 1 1   -8   -4   37 o   98.497   18.625  133.848   44.134  146.748  122.283  131.916   47.323   96.468   36.697   97.015   20.191 -0.5469131 41.88480 
1 1 1   -8   -4   38 o  211.836   16.928  604.041   88.800  705.616  172.489  567.412  103.581  207.904   34.429  201.572   20.881 6.331665 40.26573 
1 1 1   -8   -4   39 o   72.862   33.256   11.611  134.436   11.611  134.436   0.0000   0.0000   72.862   33.256  ?   ?  0.000000 33.25578 
1 1 1   -8   -4   40 o  123.505   18.464  214.368   55.199  118.392  154.343  228.444   59.108   86.437   37.764  126.968   19.246 -40.53168 42.38505 
1 1 1   -8   -4   41 o   59.009   19.999   49.299   35.111   0.0000   0.0000   49.299   35.111  ?   ?    59.009   19.999 0.000000 19.99893 
1 1 1   -8   -3    1 o  222.482   9.2247  619.370   51.250  596.184   72.422  642.628   72.536  217.611   13.392  226.023   12.905 -8.411789 18.59812 
1 1 1   -8   -3    2 o  478.143   15.533  2871.60  185.466  2868.15  262.269  2875.05  262.309  476.422   22.045  477.002   22.021 -0.5794067 31.15937 
1 1 1   -8   -3    3 o  226.462   9.5219  641.700   53.848  648.340   76.154  635.060   76.151  226.993   13.496  224.630   13.640 2.362976 19.18812 
1 1 1   -8   -3    4 o  282.299   10.405  997.354   73.347  954.901  103.631  1039.97  103.825  275.460   15.123  287.591   14.504 -12.13043 20.95401 
1 1 1   -8   -3    5 o  313.808   11.434  1232.71   89.601  1239.19  126.690  1226.22  126.740  313.813   16.222  312.148   16.316 1.664917 23.00804 
1 1 1   -8   -3    6 o   68.492   17.660   61.111   30.400   0.0000   0.0000   61.111   30.400  ?   ?    68.492   17.660 0.000000 17.66035 
1 1 1   -8   -3    7 o  670.776   24.217  5670.15  405.640  5780.61  703.140  5615.05  496.610  669.786   42.256  665.913   29.864 3.873291 51.74377 
1 1 1   -8   -3    8 f  599.478   21.626  4518.04  323.737  4853.70  561.740  4351.12  396.139  616.383   36.660  587.174   27.017 29.20941 45.53988 
1 1 1   -8   -3    9 o  997.698   35.104 12640.61  874.603 13237.80  1516.24 12342.83  1070.68  1002.72   60.841  981.367   43.689 21.35718 74.90233 
1 1 1   -8   -3   10 o  503.320   18.793  3177.92  236.208  3053.49  409.442  3239.98  289.183  489.740   33.684  507.651   22.812 -17.91037 40.68158 
1 1 1   -8   -3   11 f  336.883   13.981  1420.64  117.614  1352.46  204.335  1454.42  143.830  326.814   25.233  340.664   16.907 -13.84946 30.37351 
1 1 1   -8   -3   12 o  677.434   43.413  5893.09  730.535  5893.09  730.535   0.0000   0.0000  677.434   43.413  ?   ?  0.000000 43.41253 
1 1 1   -8   -3   13 o  350.492   25.339  1554.83  220.283  1554.83  220.283   0.0000   0.0000  350.492   25.339  ?   ?  0.000000 25.33899 
1 1 1   -8   -3   14 o  507.884   23.328  3245.27  295.868  3346.25  419.093  3144.95  417.752  512.803   32.901  496.795   33.876 16.00793 47.22324 
1 1 1   -8   -3   15 o  758.198   33.445  7298.90  633.231  7409.04  896.211  7189.10  894.837  756.091   47.711  744.343   48.405 11.74762 67.96583 
1 1 1   -8   -3   16 o  647.528   28.865  5308.32  466.748  5484.84  661.224  5133.02  658.945  652.587   40.779  630.606   42.086 21.98120 58.60233 
1 1 1   -8   -3   17 o  284.357   15.749  1017.49  111.396  1047.39  159.519  989.038  155.629  287.395   22.404  279.205   22.513 8.190094 31.76094 
1 1 1   -8   -3   18 o  107.910   19.555  151.079   50.756   0.0000   0.0000  151.079   50.756  ?   ?   107.910   19.555 0.000000 19.55543 
1 1 1   -8   -3   19 o  194.152   13.574  475.216   65.397  565.253   98.889  405.232   87.184  210.944   18.976  178.148   19.940 32.79657 27.52589 
1 1 1   -8   -3   20 o  725.409   48.430  7070.77  872.261  7070.77  872.261   0.0000   0.0000  725.409   48.430  ?   ?  0.000000 48.43015 
1 1 1   -8   -3   21 o  295.641   16.075  1104.73  118.228  1167.78  170.412  1046.22  164.162  302.184   22.750  285.797   23.202 16.38672 32.49455 
1 1 1   -8   -3   22 o  396.003   19.045  1987.85  188.337  2188.28  269.833  1797.44  262.996  411.898   26.372  372.135   28.518 39.76288 38.84249 
1 1 1   -8   -3   23 o  147.636   21.571  283.551   77.180  283.551   77.180   0.0000   0.0000  147.636   21.571  ?   ?  0.000000 21.57079 
1 1 1   -8   -3   24 o  153.039   13.776  297.605   52.084  315.183   81.242  285.340   67.865  155.688   21.468  148.739   18.684 6.949722 28.45941 
1 1 1   -8   -3   25 o  312.361   16.708  1240.21  129.852  1329.01  188.533  1160.07  179.107  320.556   23.721  299.180   24.180 21.37650 33.87252 
1 1 1   -8   -3   26 o  223.775   14.795  635.749   82.207  645.628  123.081  627.792  110.458  223.185   22.385  220.781   20.261 2.403854 30.19290 
1 1 1   -8   -3   27 o  167.815   14.176  358.291   58.852  399.702   94.230  331.808   75.356  175.142   22.033  160.188   19.222 14.95384 29.23927 
1 1 1   -8   -3   28 o  309.412   24.019  1244.68  184.133   0.0000   0.0000  1244.68  184.133  ?   ?   309.412   24.019 0.000000 24.01938 
1 1 1   -8   -3   29 o  107.994   16.364  151.304   42.747  174.763   82.471  142.686   49.987  113.141   29.042  103.925   19.987 9.215775 35.25527 
1 1 1   -8   -3   30 o  443.734   21.855  2539.24  242.170  2578.02  350.211  2503.70  335.240  438.070   32.240  432.608   31.242 5.461395 44.89437 
1 1 1   -8   -3   31 o  197.943   15.755  501.149   77.230  450.821  126.233  531.256   97.635  182.791   28.591  202.575   19.543 -19.78386 34.63238 
1 1 1   -8   -3   32 o  224.614   26.749  674.530  147.083  674.530  147.083   0.0000   0.0000  224.614   26.749  ?   ?  0.000000 26.74852 
1 1 1   -8   -3   33 o  178.960   15.791  412.307   69.847  420.782  123.542  408.326   84.680  174.733   29.354  176.708   19.516 -1.974884 35.24937 
1 1 1   -8   -3   34 o  189.867   16.129  466.499   75.749  444.592  133.890  476.811   91.864  177.141   31.418  190.410   19.600 -13.26955 37.03048 
1 1 1   -8   -3   35 o   78.188   19.135   83.182   37.058  205.030  106.199   66.287   39.544  117.023   34.194   70.122   20.964 46.90122 40.10857 
1 1 1   -8   -3   36 o   61.224   19.871   49.149   34.746   8.6236  105.967   54.031   36.780   70.927   31.131   63.804   20.417 7.123150 37.22889 
1 1 1   -8   -3   37 f   97.892   18.757  131.478   44.183  170.479  119.734  125.330   47.538  103.315   36.815   94.680   20.685 8.634842 42.22783 
1 1 1   -8   -3   38 o  173.449   16.644  402.565   71.205  462.493  147.814  384.457   81.255  166.880   36.487  167.180   19.851 -0.2995300 41.53764 
1 1 1   -8   -3   39 o   75.511   19.649   81.111   37.406  236.577  131.361   67.393   39.022  113.373   38.681   68.880   20.877 44.49358 43.95578 
1 1 1   -8   -3   40 o  113.840   41.627  268.218  154.298  268.218  154.298   0.0000   0.0000  113.840   41.627  ?   ?  0.000000 41.62702 
1 1 1   -8   -3   41 f   51.426   18.996   32.525   32.256   0.0000   0.0000   32.525   32.256  ?   ?    51.426   18.996 0.000000 18.99618 
1 1 1   -8   -3   42 o   82.187   20.752  101.676   42.600 -13.6595  168.685  109.533   44.027   70.831   33.855   85.315   20.843 -14.48389 39.75701 
1 1 1   -8   -2    1 o  233.792   9.4212  684.036   55.003  689.458   77.757  678.605   77.815  234.070   13.358  232.198   13.478 1.871994 18.97626 
1 1 1   -8   -2    2 o  649.058   20.309  5314.85  329.173  5242.93  465.409  5386.84  465.632  641.194   29.067  650.114   28.682 -8.919434 40.83507 
1 1 1   -8   -2    3 o  314.043   10.854  1234.91   85.116  1162.27  120.214  1307.94  120.531  303.763   15.903  322.784   14.953 -19.02090 21.82908 
1 1 1   -8   -2    4 o  205.131   9.0400  526.359   46.307  528.696   65.478  524.020   65.499  204.995   12.856  204.076   12.919 0.9195862 18.22595 
1 1 1   -8   -2    5 o  664.789   20.799  5567.32  345.277  5525.65  488.223  5609.02  488.369  659.291   29.654  664.332   29.438 -5.041077 41.78516 
1 1 1   -8   -2    6 o  153.128   11.442  295.114   43.439  224.342   60.411  370.879   62.506  132.312   18.814  171.375   14.749 -39.06281 23.90592 
1 1 1   -8   -2    7 o  655.843   28.873  5445.24  472.868  6015.65  669.486  4877.37  667.991  684.291   39.344  613.814   43.869 70.47705 58.92734 
1 1 1   -8   -2    8 o  819.788   29.149  8499.84  596.724  8748.74  1034.25  8375.64  730.589  819.735   50.774  811.027   36.073 8.708496 62.28428 
1 1 1   -8   -2    9 o  137.464   9.7797  237.450   33.352  223.613   58.588  244.083   40.567  132.291   18.218  139.185   11.782 -6.893707 21.69611 
1 1 1   -8   -2   10 o  315.810   12.866  1248.07  101.465  1403.53  176.951  1171.91  123.848  333.584   21.354  305.388   16.299 28.19580 26.86363 
1 1 1   -8   -2   11 o  441.088   16.412  2437.75  180.776  2759.37  314.499  2279.06  220.920  467.121   27.077  426.043   20.765 41.07837 34.12278 
1 1 1   -8   -2   12 o  135.287   10.013  230.069   33.588  209.918   59.545  239.473   40.678  127.958   19.230  137.850   11.935 -9.891991 22.63208 
1 1 1   -8   -2   13 o  364.211   18.080  1663.30  164.443  1623.11  233.503  1702.85  231.622  358.000   26.303  366.899   25.437 -8.898529 36.59132 
1 1 1   -8   -2   14 o  197.094   13.505  488.490   66.067  508.233   93.686  468.960   93.181  200.389   18.947  192.312   19.680 8.076996 27.31837 
1 1 1   -8   -2   15 o  408.011   19.635  2090.02  200.058  2171.70  283.583  2009.09  282.271  413.916   27.594  397.823   28.604 16.09262 39.74470 
1 1 1   -8   -2   16 o  359.861   18.130  1629.27  162.397  1639.65  230.604  1619.05  228.737  359.613   25.852  357.346   25.806 2.266968 36.52778 
1 1 1   -8   -2   17 o  346.001   17.737  1506.93  152.739  1501.15  217.104  1512.59  214.924  343.871   25.464  345.266   25.099 -1.395111 35.75428 
1 1 1   -8   -2   18 o  242.003   14.410  736.918   86.688  814.268  125.492  666.317  119.892  253.571   19.980  229.007   21.205 24.56409 29.13538 
1 1 1   -8   -2   19 o  427.031   29.446  2334.22  312.086   0.0000   0.0000  2334.22  312.086  ?   ?   427.031   29.446 0.000000 29.44604 
1 1 1   -8   -2   20 o  196.869   13.912  488.933   67.953  470.820   99.172  504.963   93.297  191.894   21.041  199.224   18.983 -7.330460 28.33826 
1 1 1   -8   -2   21 o  210.029   13.900  556.668   72.492  616.571  106.304  504.596   99.112  220.003   19.553  198.703   20.258 21.29924 28.15496 
1 1 1   -8   -2   22 o  237.928   14.862  715.524   87.858  689.569  127.574  738.941  121.173  231.789   22.316  240.545   20.364 -8.755478 30.21069 
1 1 1   -8   -2   23 o  500.405   23.472  3202.12  293.308  3276.08  417.209  3129.85  412.432  498.996   33.679  487.376   34.102 11.61942 47.92927 
1 1 1   -8   -2   24 o   67.835   24.367   50.695   52.554   50.695   52.554   0.0000   0.0000   67.835   24.367  ?   ?  0.000000 24.36697 
1 1 1   -8   -2   25 o  105.680   15.147  143.872   38.831  139.732   64.242  146.256   48.742  102.137   25.315  105.673   19.177 -3.536217 31.75885 
1 1 1   -8   -2   26 o  259.578   15.419  855.190   99.498  898.060  146.574  818.554  135.500  263.675   22.475  251.923   21.752 11.75203 31.27764 
1 1 1   -8   -2   27 o  124.847   15.077  199.897   46.052  191.795   77.357  204.344   57.315  119.343   26.633  125.339   18.899 -5.996117 32.65691 
1 1 1   -8   -2   28 o  179.232   14.546  408.714   64.543  422.552  102.305  399.564   83.188  179.719   23.347  175.984   19.243 3.735168 30.25526 
1 1 1   -8   -2   29 o  362.174   26.761  1718.35  240.317   0.0000   0.0000  1718.35  240.317  ?   ?   362.174   26.761 0.000000 26.76107 
1 1 1   -8   -2   30 o  281.447   16.855  1010.73  117.918  984.420  176.756  1031.83  158.290  273.662   26.184  281.970   22.672 -8.307465 34.63577 
1 1 1   -8   -2   31 o  128.675   16.486  213.848   51.754  181.265   96.185  227.125   61.400  114.630   32.247  131.928   19.201 -17.29752 37.53012 
1 1 1   -8   -2   32 o  204.169   15.643  533.029   79.146  547.560  131.108  524.698   99.277  202.639   26.548  201.058   20.040 1.581497 33.26257 
1 1 1   -8   -2   33 o  157.079   29.981  340.511  113.311  340.511  113.311   0.0000   0.0000  157.079   29.981  ?   ?  0.000000 29.98071 
1 1 1   -8   -2   34 o  188.130   15.469  455.453   72.031  552.932  128.332  410.618   87.034  202.304   26.005  176.776   20.072 25.52834 32.84985 
1 1 1   -8   -2   35 o  222.517   16.537  642.011   91.236  626.140  153.894  650.613  113.292  211.211   30.023  221.728   20.701 -10.51692 36.46774 
1 1 1   -8   -2   36 o  198.376   16.868  515.131   82.770  433.571  147.219  552.828  100.087  168.843   36.015  203.743   19.927 -34.90007 41.16012 
1 1 1   -8   -2   37 o  142.669   16.848  270.019   58.866  288.551  130.672  265.300   65.935  133.355   37.611  140.128   19.360 -6.773361 42.30104 
1 1 1   -8   -2   38 o  209.777   17.242  586.774   89.524  575.188  167.079  591.440  106.030  188.309   36.850  207.761   20.713 -19.45197 42.27213 
1 1 1   -8   -2   39 o  132.802   17.928  240.268   57.934  181.309  142.135  252.014   63.444  102.371   39.414  135.165   19.348 -32.79366 43.90668 
1 1 1   -8   -2   40 o  206.110   17.681  577.663   90.121  587.855  180.405  574.274  104.031  178.571   41.282  202.316   20.892 -23.74490 46.26765 
1 1 1   -8   -2   41 o   85.776   37.493  104.625  152.301  104.625  152.301   0.0000   0.0000   85.776   37.493  ?   ?  0.000000 37.49306 
1 1 1   -8   -2   42 o   70.465   20.064   73.019   37.004  254.985  170.122   63.982   37.912  103.952   42.121   66.119   20.676 37.83325 46.92179 
1 1 1   -8   -1    1 f  570.248   17.986  4094.04  256.124  4097.90  362.206  4090.19  362.221  568.140   25.530  567.596   25.555 0.5442505 36.12284 
1 1 1   -8   -1    2 o  747.763   23.240  7076.92  433.962  7106.68  613.739  7047.16  613.692  744.238   33.023  741.030   33.164 3.207458 46.80147 
1 1 1   -8   -1    3 o  378.675   13.012  1797.85  123.049  1761.34  173.936  1834.43  174.098  374.000   18.624  381.743   18.263 -7.742249 26.08411 
1 1 1   -8   -1    4 o  432.734   14.397  2349.30  155.580  2306.07  219.916  2392.62  220.130  427.669   20.592  435.695   20.232 -8.025391 28.86828 
1 1 1   -8   -1    5 o  281.451   10.662  991.453   74.936  998.439  105.959  984.463  105.992  281.699   15.118  279.698   15.233 2.001068 21.46121 
1 1 1   -8   -1    6 o  219.895   9.3291  604.755   51.227  600.750   72.448  608.759   72.445  218.571   13.337  220.039   13.246 -1.468353 18.79738 
1 1 1   -8   -1    7 o  676.910   29.390  5806.06  496.802  5168.70  701.094  6448.86  704.083  631.198   44.770  707.975   39.989 -76.77704 60.02861 
1 1 1   -8   -1    8 o  652.838   19.794  5353.94  322.687  5414.55  456.393  5293.36  456.303  654.560   27.921  647.105   28.238 7.455200 39.71107 
1 1 1   -8   -1    9 o  423.595   16.348  2249.04  172.930  2263.96  299.907  2241.61  211.660  422.390   28.602  422.482   20.062 -0.9207153E-01 34.93623 
1 1 1   -8   -1   10 o  510.034   19.057  3264.04  242.723  3258.23  420.856  3266.93  297.116  505.935   33.501  509.634   23.346 -3.698547 40.83307 
1 1 1   -8   -1   11 o  614.814   22.278  4750.14  342.030  4875.94  593.078  4687.45  418.665  617.797   38.637  609.719   27.497 8.077698 47.42262 
1 1 1   -8   -1   12 o  409.556   15.957  2101.15  163.194  1864.08  282.719  2219.60  199.850  383.106   29.786  420.655   19.025 -37.54935 35.34348 
1 1 1   -8   -1   13 o  340.931   14.040  1454.94  119.536  1467.52  208.053  1448.75  146.047  340.648   24.624  339.550   17.281 1.097717 30.08267 
1 1 1   -8   -1   14 o  432.632   19.196  2348.26  207.385  2819.71  295.602  1891.30  291.025  472.615   25.137  385.705   30.463 86.91058 39.49520 
1 1 1   -8   -1   15 o  1311.26   46.371 22100.94  1518.40 22281.63  2630.85 22010.69  1859.34  1274.95   83.087  1298.79   57.328 -23.84045 100.9454 
1 1 1   -8   -1   16 o  524.698   19.093  3455.94  250.169  3851.27  435.467  3261.20  305.638  550.410   31.818  508.902   24.050 41.50772 39.88496 
1 1 1   -8   -1   17 o  233.701   14.351  686.782   83.347  706.737  119.959  668.159  115.887  236.225   20.540  229.658   20.420 6.566788 28.96334 
1 1 1   -8   -1   18 o  272.020   21.861  938.044  147.241   0.0000   0.0000  938.044  147.241  ?   ?   272.020   21.861 0.000000 21.86061 
1 1 1   -8   -1   19 f  193.807   20.079  478.053   95.765  478.053   95.765   0.0000   0.0000  193.807   20.079  ?   ?  0.000000 20.07872 
1 1 1   -8   -1   20 o  350.487   25.530  1567.21  221.908   0.0000   0.0000  1567.21  221.908  ?   ?   350.487   25.530 0.000000 25.52971 
1 1 1   -8   -1   21 o  148.758   13.472  280.045   49.504  292.575   73.633  269.710   66.872  150.896   20.036  145.011   18.918 5.885696 27.55580 
1 1 1   -8   -1   22 o  720.283   32.633  6721.29  586.972  6705.46  831.406  6737.03  828.806  704.023   47.570  706.008   47.284 -1.984802 67.07172 
1 1 1   -8   -1   23 o  531.287   24.566  3610.89  325.924  3755.74  463.248  3468.92  458.639  534.391   34.906  512.640   36.056 21.75153 50.18430 
1 1 1   -8   -1   24 o   75.462   17.279   74.893   31.860   81.964   53.853   71.085   39.518   79.834   24.590   73.691   20.648 6.142517 32.10944 
1 1 1   -8   -1   25 o  135.855   22.551  242.048   73.823  242.048   73.823   0.0000   0.0000  135.855   22.551  ?   ?  0.000000 22.55119 
1 1 1   -8   -1   26 o  210.636   14.581  562.752   76.221  559.231  113.752  565.620  102.683  207.846   22.263  209.801   19.835 -1.954819 29.81663 
1 1 1   -8   -1   27 o  265.038   15.645  891.891  103.088  938.867  152.164  852.038  140.152  269.485   22.826  256.930   22.058 12.55560 31.74234 
1 1 1   -8   -1   28 o  153.046   14.543  298.571   54.912  329.163   90.055  280.465   69.282  158.329   23.489  147.129   19.324 11.19978 30.41671 
1 1 1   -8   -1   29 o  269.767   15.881  925.317  106.510  1001.02  159.842  864.859  142.843  277.838   23.252  258.498   22.348 19.34012 32.25058 
1 1 1   -8   -1   30 o  366.301   27.043  1759.57  245.620   0.0000   0.0000  1759.57  245.620  ?   ?   366.301   27.043 0.000000 27.04307 
1 1 1   -8   -1   31 o  385.560   19.857  1908.86  190.541  1940.70  278.048  1880.68  261.631  382.643   29.322  377.652   27.941 4.990784 40.50268 
1 1 1   -8   -1   32 o  308.175   18.334  1217.92  140.457  1065.97  208.779  1343.55  189.841  282.009   30.112  320.863   23.864 -38.85443 38.42155 
1 1 1   -8   -1   33 o  184.977   15.095  437.595   69.118  622.621  123.097  352.402   83.528  217.774   22.983  164.040   20.863 53.73418 31.03969 
1 1 1   -8   -1   34 o  157.859   31.317  348.016  119.096  348.016  119.096   0.0000   0.0000  157.859   31.317  ?   ?  0.000000 31.31738 
1 1 1   -8   -1   35 o  376.504   19.488  1847.55  182.595  2054.32  275.103  1684.73  244.121  387.899   28.602  351.729   28.026 36.17050 40.04457 
1 1 1   -8   -1   36 o  188.101   16.083  459.750   74.818  524.535  139.961  433.831   88.528  192.318   30.133  180.818   19.938 11.49983 36.13173 
1 1 1   -8   -1   37 o  119.212   17.142  188.893   49.563  287.524  118.587  168.017   54.557  136.845   34.663  110.938   20.447 25.90670 40.24445 
1 1 1   -8   -1   38 o  220.918   17.097  646.224   93.586  676.340  169.577  633.034  112.224  210.583   33.359  215.477   21.128 -4.893951 39.48685 
1 1 1   -8   -1   39 o  154.551   16.749  319.502   63.606  466.882  150.369  287.385   70.196  168.329   36.799  144.524   19.985 23.80563 41.87544 
1 1 1   -8   -1   40 o   50.817   19.243   28.224   33.526   0.0000   0.0000   28.224   33.526  ?   ?    50.817   19.243 0.000000 19.24277 
1 1 1   -8   -1   41 o   49.118   18.968   25.151   32.997 -170.4778  147.042   35.526   33.861   59.806   29.283   53.698   19.521 6.108032 35.19290 
1 1 1   -8   -1   42 o   90.062   39.052  139.729  162.460  139.729  162.460   0.0000   0.0000   90.062   39.052  ?   ?  0.000000 39.05205 
1 1 1   -8   -1   43 o   70.866   20.784   74.911   39.170  -4.8653  174.195   79.159   40.200   73.144   34.806   72.703   20.979 0.4410324 40.63934 
1 1 1   -8    0    1 o  500.878   16.183  3153.08  202.409  3148.18  286.230  3157.98  286.269  498.834   22.978  499.619   22.945 -0.7851257 32.47223 
1 1 1   -8    0    2 o  704.981   21.964  6280.14  386.668  6367.83  546.924  6192.52  546.739  705.718   31.035  695.705   31.471 10.01300 44.19882 
1 1 1   -8    0    3 o  532.875   16.894  3569.99  224.810  3538.72  317.822  3601.30  318.037  528.668   24.074  533.382   23.877 -4.713989 33.90721 
1 1 1   -8    0    4 o  378.354   13.005  1794.35  122.876  1808.97  173.765  1779.72  173.779  379.164   18.352  376.061   18.505 3.102997 26.06212 
1 1 1   -8    0    5 o  429.040   14.088  2308.12  150.937  2277.00  213.391  2339.27  213.524  425.208   20.097  431.030   19.838 -5.821960 28.23837 
1 1 1   -8    0    6 o  137.055   8.0112  235.632   27.299  225.523   38.534  245.817   38.680  133.714   11.657  139.697   11.182 -5.983063 16.15269 
1 1 1   -8    0    7 o  254.380   14.188  813.308   89.771  734.244  126.299  894.038  127.622  240.634   21.236  266.027   19.343 -25.39259 28.72500 
1 1 1   -8    0    8 o  419.519   19.210  2210.37  201.242  1876.77  283.402  2549.67  285.811  383.891   29.796  448.846   25.606 -64.95471 39.28689 
1 1 1   -8    0    9 o  228.035   8.7022  649.987   49.554  646.886   70.096  653.086   70.065  227.024   12.411  228.118   12.346 -1.094818 17.50581 
1 1 1   -8    0   10 o  433.628   14.442  2354.49  156.382  2392.91  221.166  2316.07  221.148  436.546   20.288  429.440   20.622 7.106079 28.92865 
1 1 1   -8    0   11 o  673.635   24.313  5709.66  408.990  5636.76  708.604  5746.07  500.834  662.629   43.057  674.501   29.735 -11.87164 52.32640 
1 1 1   -8    0   12 o  362.908   13.638  1648.32  123.590  1922.76  215.432  1513.69  150.890  390.581   22.179  347.076   17.465 43.50510 28.23033 
1 1 1   -8    0   13 o  167.861   9.7649  353.433   40.756  435.679   72.269  315.077   49.352  185.850   15.719  158.197   12.597 27.65366 20.14401 
1 1 1   -8    0   14 o  594.447   21.623  4438.55  320.979  4035.21  555.748  4640.44  393.189  561.464   39.897  607.023   25.939 -45.55914 47.58769 
1 1 1   -8    0   15 o  849.426   37.235  9174.91  789.829  8991.96  1117.47  9357.53  1116.51  831.034   54.143  848.571   52.954 -17.53790 75.73360 
1 1 1   -8    0   16 o  222.993   11.658  623.756   64.693  557.711  113.554  655.493   78.716  209.496   22.036  228.398   13.867 -18.90184 26.03623 
1 1 1   -8    0   17 o  586.651   21.038  4326.58  308.198  4767.35  536.127  4109.02  376.654  611.096   35.282  570.589   26.434 40.50677 44.08659 
1 1 1   -8    0   18 o  1144.75   40.682 16836.77  1162.96 17101.85  2015.73 16704.51  1423.83  1118.13   72.585  1131.76   50.379 -13.63354 88.35506 
1 1 1   -8    0   19 o  557.782   20.631  3918.27  287.370  3547.52  498.504  4102.79  351.686  523.964   38.366  569.700   24.721 -45.73517 45.64050 
1 1 1   -8    0   20 o  392.800   19.238  1943.41  188.709  1984.60  268.279  1903.06  265.492  394.276   27.419  385.957   27.731 8.319336 38.99737 
1 1 1   -8    0   21 f  441.703   30.386  2509.27  333.120   0.0000   0.0000  2509.27  333.120  ?   ?   441.703   30.386 0.000000 30.38570 
1 1 1   -8    0   22 o  624.431   28.327  4995.81  441.704  5121.67  626.344  4871.29  622.997  622.929   40.484  606.742   41.365 16.18719 57.87932 
1 1 1   -8    0   23 o  453.475   21.596  2612.95  244.555  2678.84  347.734  2548.46  344.004  454.149   30.845  442.647   31.323 11.50171 43.96074 
1 1 1   -8    0   24 o  243.825   15.078  752.325   91.353  728.127  132.433  774.292  126.181  237.901   22.562  245.936   20.739 -8.034790 30.64555 
1 1 1   -8    0   25 o  339.915   17.599  1467.54  148.877  1556.09  214.031  1384.53  207.220  347.176   24.852  327.066   25.575 20.11047 35.66090 
1 1 1   -8    0   26 o  361.868   27.318  1705.09  245.039  1705.09  245.039   0.0000   0.0000  361.868   27.318  ?   ?  0.000000 27.31787 
1 1 1   -8    0   27 o  641.735   29.867  5386.04  478.632  5298.79  679.327  5472.05  674.475  618.910   44.246  630.545   43.093 -11.63538 61.76349 
1 1 1   -8    0   28 o  320.690   17.389  1309.24  138.735  1332.90  201.677  1287.99  191.147  320.134   25.437  315.125   24.483 5.008453 35.30500 
1 1 1   -8    0   29 o  130.261   15.069  217.356   48.112  253.614   81.325  197.834   59.675  138.321   24.438  122.967   20.130 15.35420 31.66135 
1 1 1   -8    0   30 o  149.657   15.091  286.193   55.629  300.560   93.663  278.363   69.146  150.291   25.891  146.497   19.377 3.793579 32.33878 
1 1 1   -8    0   31 o   89.886   21.711  107.866   48.185   0.0000   0.0000  107.866   48.185  ?   ?    89.886   21.711 0.000000 21.71088 
1 1 1   -8    0   32 o  326.368   17.815  1361.89  144.643  1435.21  215.006  1301.26  195.495  330.617   26.258  315.437   25.024 15.18008 36.27234 
1 1 1   -8    0   33 o   70.732   20.673   65.732   38.814   62.547   85.945   66.547   43.503   79.736   30.662   71.628   22.107 8.107224 37.80051 
1 1 1   -8    0   34 o  161.916   15.553  336.778   62.111  429.164  114.240  298.009   74.004  178.724   26.391  150.774   20.160 27.95021 33.20977 
1 1 1   -8    0   35 o  130.786   33.673  245.754  110.632  245.754  110.632   0.0000   0.0000  130.786   33.673  ?   ?  0.000000 33.67286 
1 1 1   -8    0   36 o   89.017   20.430  107.598   44.453   47.031  104.274  121.050   49.142   79.114   32.623   94.240   21.373 -15.12556 39.00145 
1 1 1   -8    0   37 o  286.175   17.015  1067.92  121.045  1271.80  196.173  942.572  153.818  303.965   26.097  263.693   23.609 40.27158 35.19181 
1 1 1   -8    0   38 o  170.343   16.716  382.669   70.190  364.165  138.111  389.113   81.499  151.680   36.831  170.177   19.532 -18.49701 41.68941 
1 1 1   -8    0   39 o  200.590   16.987  534.550   84.290  570.828  164.765  521.690   98.099  189.133   36.204  195.622   20.381 -6.489044 41.54654 
1 1 1   -8    0   40 o  159.686   17.421  343.505   68.343  389.928  166.454  334.092   74.952  144.445   42.971  155.936   19.687 -11.49088 47.26618 
1 1 1   -8    0   41 o  130.949   17.904  234.632   57.013  256.431  149.359  230.914   61.684  115.728   41.131  128.667   19.835 -12.93915 45.66367 
1 1 1   -8    0   42 o  196.404   17.625  527.746   85.524  668.604  189.235  491.590   95.874  188.667   41.310  186.229   20.981 2.438065 46.33326 
1 1 1   -8    0   43 o  102.798   42.240  240.499  174.046  240.499  174.046   0.0000   0.0000  102.798   42.240  ?   ?  0.000000 42.24021 
1 1 1   -8    1    1 o  549.764   17.453  3801.29  239.610  3784.68  338.800  3817.93  338.919  546.539   24.824  548.967   24.723 -2.427979 35.03505 
1 1 1   -8    1    2 o  395.905   13.457  1965.52  133.043  1963.31  188.137  1967.72  188.165  394.824   19.082  395.271   19.063 -0.4468384 26.97253 
1 1 1   -8    1    3 o  645.558   20.269  5253.39  326.748  5201.81  461.984  5305.03  462.199  639.232   28.941  645.660   28.666 -6.428101 40.73529 
1 1 1   -8    1    4 o  424.228   13.992  2256.90  148.232  2267.70  209.613  2246.10  209.649  424.320   19.782  422.276   19.881 2.044495 28.04642 
1 1 1   -8    1    5 o  829.957   25.565  8718.28  529.847  8606.98  749.187  8829.66  749.446  818.841   36.639  829.652   36.174 -10.81049 51.48725 
1 1 1   -8    1    6 o  452.230   14.870  2564.47  167.925  2541.30  237.400  2587.67  237.564  449.201   21.164  453.313   20.986 -4.112152 29.80463 
1 1 1   -8    1    7 o  352.869   16.545  1562.17  145.787  1223.10  204.935  1909.57  207.436  309.937   26.740  388.929   21.441 -78.99216 34.27462 
1 1 1   -8    1    8 o  240.692   14.033  728.068   83.980  822.948  118.640  632.784  118.893  255.339   18.737  223.272   21.594 32.06642 28.58981 
1 1 1   -8    1    9 o  515.144   16.616  3326.92  213.752  3314.88  302.230  3338.97  302.352  513.156   23.585  515.031   23.509 -1.874756 33.30042 
1 1 1   -8    1   10 f  205.280   9.2591  526.779   47.464  550.237   67.175  503.391   67.074  209.288   12.916  200.086   13.503 9.201889 18.68607 
1 1 1   -8    1   11 o  200.373   9.1831  501.858   45.950  540.250   65.040  463.601   64.925  207.413   12.617  191.977   13.632 15.43637 18.57449 
1 1 1   -8    1   12 o  192.995   10.316  467.019   49.537  512.353   86.956  445.238   60.273  201.432   17.460  188.198   12.903 13.23448 21.71016 
1 1 1   -8    1   13 o  117.983   9.2307  175.051   26.979  255.669   49.027  140.036   32.311  142.242   13.983  105.054   12.566 37.18771 18.79993 
1 1 1   -8    1   14 o  441.830   15.885  2445.19  175.264  2757.82  305.053  2291.14  214.134  467.225   26.252  427.281   20.069 39.94324 33.04426 
1 1 1   -8    1   15 f  614.399   22.419  4744.06  343.973  4719.82  596.361  4756.14  421.073  607.479   39.527  614.186   27.454 -6.706360 48.12626 
1 1 1   -8    1   16 o  192.571   12.827  466.112   61.330  526.347   89.580  412.967   84.144  204.115   17.751  180.442   18.957 23.67329 25.97090 
1 1 1   -8    1   17 o  387.735   18.995  1887.17  183.921   0.0000   0.0000  1887.17  183.921  ?   ?   387.735   18.995 0.000000 18.99526 
1 1 1   -8    1   18 o  487.243   21.508  2986.98  261.700  3471.09  372.933  2517.31  367.331  522.951   28.667  443.740   33.394 79.21057 44.01101 
1 1 1   -8    1   19 o  363.890   14.973  1660.43  136.056  1399.11  236.995  1788.90  166.166  330.892   28.973  377.393   17.632 -46.50040 33.91666 
1 1 1   -8    1   20 o  696.065   24.846  6132.48  431.879  6620.01  750.663  5891.26  528.021  712.970   42.352  679.632   31.112 33.33795 52.55165 
1 1 1   -8    1   21 o  216.948   11.447  591.291   61.798  595.889  111.286  589.241   74.308  216.273   20.865  216.267   13.832 0.6484985E-02 25.03292 
1 1 1   -8    1   22 f  145.486   18.815  271.408   66.754   0.0000   0.0000  271.408   66.754  ?   ?   145.486   18.815 0.000000 18.81482 
1 1 1   -8    1   23 o  188.741   11.276  448.366   52.902  310.246   95.442  509.620   63.560  153.902   25.743  201.057   12.725 -47.15518 28.71647 
1 1 1   -8    1   24 o  414.656   20.357  2182.90  210.796  2138.06  299.969  2226.65  296.285  405.580   29.827  414.480   28.805 -8.899719 41.46498 
1 1 1   -8    1   25 o  514.406   23.994  3389.79  308.217  3521.00  438.471  3261.65  433.344  516.635   34.180  496.381   35.188 20.25345 49.05531 
1 1 1   -8    1   26 o  277.903   16.124  979.630  111.418  937.402  160.960  1018.48  154.383  269.201   24.202  281.461   22.144 -12.25925 32.80405 
1 1 1   -8    1   27 f  349.328   26.882  1588.38  232.696  1588.38  232.696   0.0000   0.0000  349.328   26.882  ?   ?  0.000000 26.88151 
1 1 1   -8    1   28 o  307.664   17.205  1204.22  131.657  1157.79  190.830  1246.40  181.874  298.195   25.884  310.508   23.633 -12.31348 35.04984 
1 1 1   -8    1   29 o  206.355   15.007  541.066   76.803  505.075  115.536  569.562  102.805  196.680   24.023  210.431   19.797 -13.75044 31.12906 
1 1 1   -8    1   30 o  138.350   15.146  244.906   51.473  279.008   85.578  225.576   64.430  145.219   24.469  131.442   20.282 13.77679 31.78149 
1 1 1   -8    1   31 o  158.538   15.582  321.327   60.894  260.606  100.044  357.062   76.748  138.430   29.821  166.355   18.805 -27.92543 35.25510 
1 1 1   -8    1   32 o  153.168   19.752  304.743   73.787   0.0000   0.0000  304.743   73.787  ?   ?   153.168   19.752 0.000000 19.75164 
1 1 1   -8    1   33 o   67.775   20.878   59.231   38.819   0.0248   84.810   74.922   43.661   65.857   28.386   75.390   21.895 -9.532906 35.84915 
1 1 1   -8    1   34 o  220.781   16.084  623.778   88.064  610.420  140.965  632.328  112.779  213.807   27.004  220.561   20.719 -6.754166 34.03709 
1 1 1   -8    1   35 o  181.271   15.952  422.590   71.474  438.097  123.869  414.849   87.513  179.122   28.659  178.123   20.021 0.9996643 34.95951 
1 1 1   -8    1   36 o  337.370   30.072  1567.10  250.690  1567.10  250.690   0.0000   0.0000  337.370   30.072  ?   ?  0.000000 30.07163 
1 1 1   -8    1   37 o  188.833   16.717  464.407   78.016  431.859  139.284  479.287   94.175  171.909   33.650  190.128   20.142 -18.21878 39.21754 
1 1 1   -8    1   38 o  126.058   17.188  210.705   52.695  305.407  121.874  188.930   58.440  141.324   34.771  117.792   20.619 23.53233 40.42501 
1 1 1   -8    1   39 o  133.952   17.576  240.014   57.372  284.096  133.780  230.080   63.508  131.122   38.397  129.743   20.264 1.378937 43.41603 
1 1 1   -8    1   40 o  142.745   40.370  356.619  150.335  356.619  150.335   0.0000   0.0000  142.745   40.370  ?   ?  0.000000 40.37045 
1 1 1   -8    1   41 o   95.758   19.980  128.905   46.231  159.609  154.707  125.894   48.445   98.774   40.117   94.026   21.145 4.748413 45.34831 
1 1 1   -8    1   42 o  170.612   18.248  398.747   76.540  317.850  171.131  418.977   85.577  123.559   44.014  173.295   20.151 -49.73685 48.40812 
1 1 1   -8    1   43 o   62.027   20.341   53.940   36.377   50.614  158.892   54.124   37.370   79.751   36.305   62.185   20.628 17.56612 41.75575 
1 1 1   -8    1   44 o  102.538   42.908  257.759  184.179  257.759  184.179   0.0000   0.0000  102.538   42.908  ?   ?  0.000000 42.90777 
1 1 1   -8    2    1 o  102.186   8.1072  131.387   20.518  127.393   29.066  135.352   28.967  100.162   11.851  103.344   11.415 -3.182541 16.45431 
1 1 1   -8    2    2 o  302.393   11.098  1144.86   83.807  1132.98  118.448  1156.78  118.596  299.979   15.868  303.146   15.720 -3.166443 22.33679 
1 1 1   -8    2    3 o  368.117   12.735  1698.00  117.068  1686.43  165.513  1709.58  165.606  366.200   18.099  368.720   17.986 -2.520630 25.51610 
1 1 1   -8    2    4 o  501.241   16.156  3154.39  202.225  3120.85  285.923  3187.96  286.055  497.157   23.031  502.531   22.795 -5.373932 32.40387 
1 1 1   -8    2    5 o  254.592   10.065  810.951   63.988  838.105   90.506  783.814   90.478  258.186   14.091  249.596   14.580 8.590714 20.27611 
1 1 1   -8    2    6 o  551.709   17.531  3822.49  241.531  3766.51  341.465  3878.54  341.688  546.022   25.043  554.173   24.691 -8.151001 35.16788 
1 1 1   -8    2    7 o  394.415   19.045  1954.45  187.581  2001.00  265.048  1907.73  265.511  396.989   26.895  387.409   27.626 9.579773 38.55529 
1 1 1   -8    2    8 o  254.548   14.426  814.261   91.322  924.073  129.093  704.260  129.204  270.586   19.230  235.556   22.228 35.02997 29.39169 
1 1 1   -8    2    9 o  399.500   13.171  1997.83  131.401  1918.68  185.623  2077.34  186.037  390.969   19.012  406.890   18.309 -15.92151 26.39517 
1 1 1   -8    2   10 o  293.719   11.026  1078.97   80.870  1128.22  114.433  1029.84  114.302  299.724   15.340  286.239   16.056 13.48450 22.20625 
1 1 1   -8    2   11 o  329.793   10.590  1360.01   87.212  1310.75  123.245  1409.41  123.428  323.510   15.256  335.499   14.732 -11.98935 21.20800 
1 1 1   -8    2   12 o  398.563   13.535  1988.03  134.708  1999.48  190.448  1976.55  190.565  399.252   19.102  396.944   19.225 2.307709 27.10131 
1 1 1   -8    2   13 o  197.126   9.0998  485.689   44.795  517.906   63.526  453.828   63.175  203.076   12.589  189.967   13.403 13.10872 18.38826 
1 1 1   -8    2   14 o  516.617   18.202  3346.21  234.816  3794.46  408.343  3124.75  287.018  547.408   29.986  498.608   23.052 48.80054 37.82241 
1 1 1   -8    2   15 o  313.887   13.312  1232.97  104.344  1310.49  182.211  1195.14  127.281  322.109   22.800  308.400   16.588 13.70975 28.19589 
1 1 1   -8    2   16 o  455.219   21.474  2603.38  244.105  2109.01  345.411  3096.64  345.024  406.404   34.357  494.634   28.048 -88.23068 44.35207 
1 1 1   -8    2   17 o  410.355   28.480  2136.90  290.039  2136.90  290.039   0.0000   0.0000  410.355   28.480  ?   ?  0.000000 28.48015 
1 1 1   -8    2   18 o  327.062   13.957  1339.76  113.994  1161.30  198.596  1427.44  139.210  302.149   26.592  337.387   16.523 -35.23755 31.30704 
1 1 1   -8    2   19 o  384.354   13.136  1850.32  126.082  2362.78  222.401  1607.62  153.053  433.349   20.552  357.869   17.126 75.47934 26.75234 
1 1 1   -8    2   20 o  344.655   14.476  1489.71  124.586  1205.84  217.055  1629.19  152.144  306.858   28.657  360.139   16.917 -53.28085 33.27841 
1 1 1   -8    2   21 f  908.671   32.665 10578.92  741.200 10359.35  1284.86 10688.44  907.404  872.521   59.322  907.573   40.038 -35.05219 71.56902 
1 1 1   -8    2   22 o  466.074   17.995  2737.37  209.434  2686.27  365.077  2762.43  255.693  456.058   32.265  467.167   21.918 -11.10980 39.00502 
1 1 1   -8    2   23 o  484.064   33.002  3044.54  396.550   0.0000   0.0000  3044.54  396.550  ?   ?   484.064   33.002 0.000000 33.00218 
1 1 1   -8    2   24 o  316.178   13.774  1257.29  108.753  873.901  190.647  1442.23  132.410  258.543   30.092  338.273   15.675 -79.72964 33.92960 
1 1 1   -8    2   25 o  290.947   13.264  1064.95   96.372  1005.75  171.552  1092.25  116.490  279.099   24.875  293.744   15.940 -14.64490 29.54418 
1 1 1   -8    2   26 o  144.621   11.162  264.207   40.000  242.468   79.096  271.678   46.366  135.607   24.247  146.399   12.812 -10.79158 27.42373 
1 1 1   -8    2   27 o  320.057   17.596  1302.42  140.093  1201.82  201.364  1396.80  195.029  303.811   26.817  329.038   23.899 -25.22620 35.92079 
1 1 1   -8    2   28 o  342.935   26.742  1531.15  227.202  1531.15  227.202   0.0000   0.0000  342.935   26.742  ?   ?  0.000000 26.74212 
1 1 1   -8    2   29 o  319.472   17.322  1298.62  137.675  1344.92  199.635  1256.63  190.118  321.918   25.030  311.289   24.659 10.62936 35.13681 
1 1 1   -8    2   30 o  221.689   15.353  624.542   84.468  612.449  127.903  633.895  112.487  216.815   24.027  221.844   20.538 -5.028748 31.60900 
1 1 1   -8    2   31 o  262.242   16.176  874.865  105.417  888.375  157.565  863.917  141.836  261.226   24.438  258.504   22.187 2.722534 33.00739 
1 1 1   -8    2   32 o  321.284   17.326  1316.11  138.495  1465.32  205.962  1192.96  187.114  335.527   24.756  302.458   24.998 33.06897 35.18195 
1 1 1   -8    2   33 o  178.332   19.899  411.941   87.103   0.0000   0.0000  411.941   87.103  ?   ?   178.332   19.899 0.000000 19.89865 
1 1 1   -8    2   34 o  225.087   16.042  647.351   89.579  657.690  142.141  640.538  115.375  222.863   26.031  222.087   21.055 0.7752686 33.48037 
1 1 1   -8    2   35 o  168.177   16.280  363.966   67.514  386.585  120.932  353.724   81.376  167.867   29.947  164.459   20.242 3.408127 36.14651 
1 1 1   -8    2   36 o  174.782   16.636  394.969   71.734  346.445  127.189  417.604   86.868  155.775   33.678  178.518   19.821 -22.74358 39.07758 
1 1 1   -8    2   37 o  112.405   35.278  184.216  110.255  184.216  110.255   0.0000   0.0000  112.405   35.278  ?   ?  0.000000 35.27789 
1 1 1   -8    2   38 o   63.896   20.847   53.055   38.227  107.507  108.327   45.310   40.855   91.579   34.611   61.127   21.534 30.45240 40.76307 
1 1 1   -8    2   39 o  274.381   23.705  1034.39  160.824   0.0000   0.0000  1034.39  160.824  ?   ?   274.381   23.705 0.000000 23.70452 
1 1 1   -8    2   40 o  209.209   17.013  580.630   88.111  662.596  165.630  548.278  104.057  208.236   32.948  200.137   21.141 8.098648 39.14722 
1 1 1   -8    2   41 o  109.572   19.117  165.540   50.404   96.084  134.864  176.817   54.342   87.959   36.754  112.834   20.019 -24.87554 41.85261 
1 1 1   -8    2   42 o   83.881   21.443  101.252   45.087   0.0000   0.0000  101.252   45.087  ?   ?    83.881   21.443 0.000000 21.44267 
1 1 1   -8    2   43 o   70.689   21.307   72.079   40.725 -41.3951  152.927   80.741   42.251   70.835   33.378   74.507   21.510 -3.671478 39.70857 
1 1 1   -8    2   44 o  105.089   19.936  158.872   50.403  276.168  172.849  147.971   52.693  109.553   43.094  100.131   21.700 9.421852 48.24922 
1 1 1   -8    3    1 o  547.641   17.435  3767.48  238.437  3700.22  337.082  3834.83  337.319  541.016   24.950  550.885   24.520 -9.869141 34.98241 
1 1 1   -8    3    2 o  383.186   12.832  1839.47  122.789  1789.29  173.499  1889.82  173.800  377.258   18.417  387.777   17.948 -10.51974 25.71583 
1 1 1   -8    3    3 o  128.832   8.2562  208.374   26.422  205.530   37.380  211.214   37.352  127.572   11.870  129.359   11.689 -1.787895 16.65930 
1 1 1   -8    3    4 o  171.888   8.6483  370.378   37.003  362.285   52.320  378.477   52.341  169.629   12.438  173.429   12.163 -3.799759 17.39635 
1 1 1   -8    3    5 o  471.691   15.318  2790.38  180.425  2839.40  255.235  2741.43  255.084  474.791   21.527  466.458   21.899 8.333740 30.70792 
1 1 1   -8    3    6 o  231.139   13.767  671.661   79.102  732.104  111.731  610.923  112.004  240.681   18.738  219.415   20.686 21.26575 27.91068 
1 1 1   -8    3    7 o  312.361   16.244  1226.84  126.268  1221.57  178.244  1232.15  178.897  310.571   23.149  311.923   23.132 -1.351410 32.72555 
1 1 1   -8    3    8 o  489.708   22.561  3017.74  275.897  2964.24  389.733  3071.49  390.623  482.284   32.551  491.125   32.026 -8.840668 45.66403 
1 1 1   -8    3    9 o  402.511   15.790  2030.18  158.715  2079.55  194.413  1931.52  274.825  407.035   19.127  390.052   28.411 16.98328 34.24898 
1 1 1   -8    3   10 o  109.251   8.3371  150.040   22.574  154.751   31.862  145.291   31.987  110.609   11.714  107.076   12.179 3.532562 16.89805 
1 1 1   -8    3   11 o  347.191   12.294  1508.04  106.587  1502.80  150.703  1513.29  150.770  345.799   17.509  347.016   17.454 -1.216858 24.72298 
1 1 1   -8    3   12 o  562.214   17.393  3961.68  244.185  3938.86  345.250  3984.53  345.409  559.509   24.710  562.766   24.578 -3.257263 34.85244 
1 1 1   -8    3   13 o  1138.03   34.524 16409.74  981.114 16683.95  1387.78 16135.76  1387.23  1139.25   48.781  1119.83   49.607 19.42126 69.57346 
1 1 1   -8    3   14 o  625.711   19.348  4911.17  302.314  4972.79  427.677  4849.63  427.397  628.192   27.263  620.296   27.592 7.896240 38.78893 
1 1 1   -8    3   15 o  425.393   16.526  2267.27  175.551  2060.39  304.359  2370.41  214.902  402.743   30.489  434.635   19.800 -31.89120 36.35372 
1 1 1   -8    3   16 o  318.142   13.652  1266.87  108.458  1316.46  190.260  1242.99  132.007  322.647   23.782  314.479   16.871 8.167816 29.15809 
1 1 1   -8    3   17 o  285.793   15.986  1026.66  113.630  866.794  161.967  1181.60  159.456  261.144   25.148  305.971   20.996 -44.82724 32.76064 
1 1 1   -8    3   18 o  760.044   27.085  7294.50  514.070  7809.93  892.280  7038.42  628.942  776.931   46.199  744.245   33.841 32.68512 57.26725 
1 1 1   -8    3   19 o  436.232   17.014  2388.11  185.344  1998.89  321.472  2581.91  226.842  395.101   32.881  453.144   20.046 -58.04306 38.51007 
1 1 1   -8    3   20 o  566.035   20.506  4034.48  289.849  4383.67  504.383  3862.32  354.168  584.486   34.713  552.505   25.670 31.98041 43.17306 
1 1 1   -8    3   21 o  539.865   20.205  3673.89  272.398  3254.09  472.535  3882.83  333.361  500.777   38.072  553.896   24.101 -53.11868 45.05906 
1 1 1   -8    3   22 o  506.986   19.148  3241.38  242.425  3335.40  422.296  3195.17  296.070  508.152   33.466  502.067   23.615 6.084656 40.95926 
1 1 1   -8    3   23 o  142.912   11.174  257.569   39.559  230.762   75.428  267.740   46.462  132.893   23.593  145.485   12.923 -12.59157 26.90059 
1 1 1   -8    3   24 o  237.918   20.902  723.323  122.928   0.0000   0.0000  723.323  122.928  ?   ?   237.918   20.902 0.000000 20.90248 
1 1 1   -8    3   25 o  218.570   10.510  599.218   57.365  754.777  107.255  536.890   67.891  243.661   17.749  206.198   13.255 37.46344 22.15245 
1 1 1   -8    3   26 o  130.619   11.427  215.896   36.897  148.768   73.090  238.853   42.743  105.429   27.481  137.250   12.612 -31.82039 30.23725 
1 1 1   -8    3   27 o  119.197   11.080  179.960   32.604  176.972   70.111  180.785   36.828  115.213   25.081  119.231   12.558 -4.018898 28.04884 
1 1 1   -8    3   28 o  193.958   12.233  475.107   58.948  204.858  108.517  588.237   70.211  122.577   34.170  215.731   13.095 -93.15442 36.59363 
1 1 1   -8    3   29 o  226.983   13.598  651.813   76.720  853.523  119.908  512.005   99.828  258.445   18.706  199.374   20.336 59.07072 27.63041 
1 1 1   -8    3   30 o  263.807   12.841  876.732   84.596  851.262  156.401  887.266  100.579  255.795   24.796  264.473   15.295 -8.677643 29.13365 
1 1 1   -8    3   31 o  230.273   12.533  669.854   71.800  556.215  136.412  713.401   84.443  205.237   27.293  237.248   14.320 -32.01117 30.82169 
1 1 1   -8    3   32 o  311.481   13.777  1224.96  107.162  1313.73  197.788  1188.07  127.497  317.618   25.142  305.503   16.776 12.11465 30.22572 
1 1 1   -8    3   33 o  292.144   17.397  1089.44  126.340  1041.67  188.085  1128.71  170.543  281.323   27.109  294.846   23.354 -13.52304 35.78096 
1 1 1   -8    3   34 o  173.171   20.072  389.351   85.188   0.0000   0.0000  389.351   85.188  ?   ?   173.171   20.072 0.000000 20.07169 
1 1 1   -8    3   35 o  225.599   15.587  650.206   87.270  841.878  144.746  540.738  109.388  253.603   23.110  203.362   21.885 50.24135 31.82775 
1 1 1   -8    3   36 o  275.532   17.568  977.848  120.245  936.822  186.605  1006.98  157.245  262.988   28.890  276.673   22.967 -13.68460 36.90704 
1 1 1   -8    3   37 o  244.767   16.093  771.947   97.818  968.040  162.701  660.945  122.412  268.983   24.491  223.264   22.252 45.71814 33.09013 
1 1 1   -8    3   38 o  174.333   33.173  442.348  139.139  442.348  139.139   0.0000   0.0000  174.333   33.173  ?   ?  0.000000 33.17278 
1 1 1   -8    3   39 o  205.988   16.973  556.664   86.532  580.139  154.067  545.846  104.586  198.862   32.119  201.368   21.113 -2.505783 38.43690 
1 1 1   -8    3   40 o  182.979   17.188  443.750   77.619  412.073  147.734  455.828   91.225  159.945   37.618  183.472   20.248 -23.52655 42.72171 
1 1 1   -8    3   41 o  204.689   17.722  560.512   89.690  496.649  167.165  586.328  106.284  171.128   39.859  206.786   20.868 -35.65739 44.99148 
1 1 1   -8    3   42 o   70.942   20.935   70.982   39.635  101.784  136.692   68.154   41.414   88.498   36.993   69.670   21.581 18.82777 42.82787 
1 1 1   -8    3   43 o   79.455   21.897   91.690   44.840   0.0000   0.0000   91.690   44.840  ?   ?    79.455   21.897 0.000000 21.89681 
1 1 1   -8    3   44 o   88.218   21.088  113.617   45.826  101.732  166.888  114.586   47.657   86.678   38.509   88.219   21.767 -1.540245 44.23511 
1 1 1   -8    3   45 o  105.978   20.143  163.094   51.360  321.910  189.594  150.516   53.355  111.998   44.786  100.445   21.890 11.55383 49.84922 
1 1 1   -8    4    1 o   65.338   13.665   55.480   21.579   54.414   29.429   56.720   31.735   64.806   17.690   66.259   18.481 -1.452721 25.58299 
1 1 1   -8    4    2 o  318.208   15.789  1270.01  125.465  1029.54  176.530  1515.46  178.352  284.457   25.109  346.434   20.711 -61.97675 32.54869 
1 1 1   -8    4    3 o  131.748   11.766  218.991   38.301  188.927   53.474  250.665   54.887  121.322   18.213  140.475   15.928 -19.15334 24.19516 
1 1 1   -8    4    4 o  260.329   14.456  851.951   93.607  769.090  131.832  936.205  132.937  246.225   21.661  272.185   19.691 -25.95992 29.27365 
1 1 1   -8    4    5 o  460.392   21.477  2667.71  246.914  2640.32  348.896  2695.19  349.483  455.104   30.882  459.915   30.604 -4.810547 43.47825 
1 1 1   -8    4    6 o  586.515   26.317  4344.69  385.443  4175.98  544.546  4514.10  545.653  570.135   38.473  593.476   37.002 -23.34137 53.37919 
1 1 1   -8    4    7 o  315.586   16.318  1252.04  128.159  1212.20  180.800  1292.26  181.691  309.359   23.581  319.591   22.918 -10.23157 32.88351 
1 1 1   -8    4    8 o  414.157   19.760  2154.17  204.364  2176.95  288.720  2131.29  289.310  414.201   28.079  409.728   28.452 4.472534 39.97487 
1 1 1   -8    4    9 o  516.056   16.588  3338.14  213.764  3298.85  302.187  3377.49  302.430  511.986   23.636  518.097   23.376 -6.111115 33.24244 
1 1 1   -8    4   10 o  692.360   21.517  6022.57  372.024  6042.03  526.097  6003.10  526.146  691.329   30.474  689.070   30.577 2.259644 43.16958 
1 1 1   -8    4   11 o  588.188   18.571  4338.96  272.769  4339.95  385.686  4337.96  385.822  586.945   26.314  586.807   26.329 0.1382446 37.22445 
1 1 1   -8    4   12 o  334.392   11.966  1398.66   99.921  1373.72  141.191  1423.69  141.428  330.643   17.159  337.077   16.802 -6.434052 24.01522 
1 1 1   -8    4   13 o  459.104   15.153  2639.22  173.725  2597.16  245.572  2681.36  245.798  454.763   21.624  462.116   21.300 -7.352509 30.35284 
1 1 1   -8    4   14 o  340.116   12.085  1446.97  102.642  1519.19  145.350  1375.13  144.965  348.213   16.715  330.765   17.614 17.44849 24.28303 
1 1 1   -8    4   15 o  291.563   14.332  1064.18  104.351   0.0000   0.0000  1064.18  104.351  ?   ?   291.563   14.332 0.000000 14.33219 
1 1 1   -8    4   16 o  388.582   18.799  1894.07  182.414  1894.07  182.414   0.0000   0.0000  388.582   18.799  ?   ?  0.000000 18.79861 
1 1 1   -8    4   17 o  246.824   14.615  765.583   89.680  737.432  128.921  791.976  124.830  241.291   21.625  250.350   20.138 -9.059174 29.54974 
1 1 1   -8    4   18 o  881.752   38.590  9927.63  849.713 10165.26  1203.01  9691.04  1200.35  880.794   54.969  858.970   56.271 21.82404 78.66396 
1 1 1   -8    4   19 o  629.634   22.777  4993.89  358.118  4473.41  620.171  5254.26  438.641  588.139   42.512  644.617   27.249 -56.47772 50.49590 
1 1 1   -8    4   20 o  657.973   23.910  5466.26  392.861  5491.34  681.825  5453.80  480.672  650.665   42.190  655.372   29.370 -4.706848 51.40670 
1 1 1   -8    4   21 o  768.888   27.591  7508.99  529.759  6950.46  917.697  7788.13  648.774  723.472   51.125  780.027   33.307 -56.55560 61.01718 
1 1 1   -8    4   22 o  414.415   16.027  2158.81  165.855  2292.81  289.996  2093.68  202.186  423.467   27.574  407.382   19.875 16.08548 33.98994 
1 1 1   -8    4   23 o  285.783   13.037  1025.05   93.041  963.396  164.436  1054.08  112.841  274.305   24.256  289.051   15.692 -14.74606 28.88889 
1 1 1   -8    4   24 o  359.990   26.312  1665.73  234.894   0.0000   0.0000  1665.73  234.894  ?   ?   359.990   26.312 0.000000 26.31177 
1 1 1   -8    4   25 o  294.201   15.728  1094.40  115.132  1324.44  168.703  893.872  157.513  322.189   21.085  263.464   24.212 58.72498 32.10583 
1 1 1   -8    4   26 o  241.618   12.036  733.568   72.622  782.701  132.631  712.531   86.788  246.926   21.731  237.314   14.717 9.611511 26.24552 
1 1 1   -8    4   27 o  226.458   11.679  646.103   65.820  696.505  122.140  625.476   78.136  232.823   21.242  222.337   14.147 10.48637 25.52124 
1 1 1   -8    4   28 o  251.667   12.744  799.159   79.833  714.448  145.006  836.002   95.631  234.346   25.173  256.915   14.971 -22.56897 29.28842 
1 1 1   -8    4   29 f  163.463   11.065  337.239   44.903  402.041   90.847  316.290   51.653  176.278   21.054  157.912   13.220 18.36597 24.86096 
1 1 1   -8    4   30 f  133.182   15.091  226.904   49.305  128.527   83.691  279.199   61.018   98.842   30.689  147.510   16.868 -48.66759 35.01937 
1 1 1   -8    4   31 o  299.866   13.447  1133.87  100.695  1151.02  184.607  1126.60  120.141  297.585   25.076  297.819   16.215 -0.2343140 29.86187 
1 1 1   -8    4   32 f  142.820   11.644  258.323   41.167  314.498   94.937  245.315   45.685  154.025   25.580  138.843   13.341 15.18211 28.84992 
1 1 1   -8    4   33 o  231.284   11.968  675.437   68.885  790.615  140.248  638.817   79.081  246.743   23.028  224.400   14.185 22.34340 27.04613 
1 1 1   -8    4   34 o  262.929   12.899  872.503   84.692  942.164  167.232  848.474   98.219  268.151   25.272  258.293   15.296 9.858337 29.54060 
1 1 1   -8    4   35 o  107.710   22.331  155.154   58.091   0.0000   0.0000  155.154   58.091  ?   ?   107.710   22.331 0.000000 22.33059 
1 1 1   -8    4   36 o  136.781   11.906  238.094   40.262  350.646  113.467  221.882   43.064  159.802   29.521  131.701   13.275 28.10179 32.36890 
1 1 1   -8    4   37 o   92.960   14.357  112.521   32.255   50.588  106.795  118.738   33.835   81.225   33.198   95.466   14.662 -14.24033 36.29174 
1 1 1   -8    4   38 o  150.622   13.187  291.220   49.102   0.0000   0.0000  291.220   49.102  ?   ?   150.622   13.187 0.000000 13.18743 
1 1 1   -8    4   39 o   73.213   18.331   72.772   33.437  166.098  116.230   64.351   34.913  105.988   36.382   68.922   19.442 37.06603 41.25070 
1 1 1   -8    4   40 o  133.471   12.844  230.577   42.281  149.214  128.021  240.538   44.795  100.733   37.718  136.160   13.346 -35.42712 40.00957 
1 1 1   -8    4   41 o  206.863   12.732  553.079   65.452  539.948  163.887  555.570   71.392  183.334   37.071  206.654   13.915 -23.31966 39.59711 
1 1 1   -8    4   42 o  110.822   13.052  160.944   35.429 -42.5383  141.848  174.482   36.588   71.152   33.074  115.501   12.906 -44.34872 35.50305 
1 1 1   -8    4   43 o  181.464   12.661  429.001   57.012  541.744  177.293  415.999   60.210  172.941   41.568  178.089   13.643 -5.148041 43.74914 
1 1 1   -8    4   44 o   75.426   21.952   82.996   43.848   0.0000   0.0000   82.996   43.848  ?   ?    75.426   21.952 0.000000 21.95228 
1 1 1   -8    4   45 o   42.006   15.554   19.913   21.650  124.995  172.414   18.229   21.823   88.291   39.187   41.207   15.544 47.08347 42.15759 
1 1 1   -8    5    1 o  434.920   14.237  2369.41  154.622  2362.38  218.613  2376.45  218.723  433.569   20.191  434.865   20.141 -1.295715 28.51962 
1 1 1   -8    5    2 o  218.371   13.471  599.415   73.101  602.247  102.968  596.537  103.799  218.157   19.093  217.073   19.351 1.083939 27.18504 
1 1 1   -8    5    3 o  510.833   22.615  3285.57  288.488  2784.78  406.663  3792.92  409.316  466.305   35.182  546.310   30.120 -80.00537 46.31405 
1 1 1   -8    5    4 o  527.045   24.041  3501.00  316.413  3468.03  447.154  3534.07  447.797  520.890   34.573  525.946   34.282 -5.056152 48.68837 
1 1 1   -8    5    5 o  241.739   14.122  734.451   84.881  786.406  119.837  682.143  120.244  249.477   19.388  231.994   20.983 17.48312 28.56878 
1 1 1   -8    5    6 o  782.028   33.940  7772.46  662.809  7116.05  935.888  8433.00  938.825  738.597   51.055  807.019   46.786 -68.42188 69.25011 
1 1 1   -8    5    7 o  484.004   22.394  2946.93  270.663  2997.08  382.554  2896.67  382.998  485.295   31.742  476.886   32.353 8.409027 45.32380 
1 1 1   -8    5    8 o  810.541   24.790  8275.46  501.769  8062.54  709.286  8488.75  709.932  796.323   35.668  817.462   34.777 -21.13922 49.81665 
1 1 1   -8    5    9 o  328.642   11.831  1351.15   97.095  1388.64  137.336  1313.68  137.290  332.867   16.522  323.272   17.067 9.594543 23.75427 
1 1 1   -8    5   10 o  300.942   11.208  1132.68   84.226  1151.16  119.091  1114.19  119.138  302.729   15.808  297.784   16.081 4.945557 22.54984 
1 1 1   -8    5   11 o  608.861   19.171  4650.42  291.488  4701.13  412.231  4599.71  412.222  610.763   27.028  604.077   27.327 6.686157 38.43530 
1 1 1   -8    5   12 o  539.566   17.260  3648.62  232.566  3608.24  328.722  3689.09  329.074  535.549   24.580  541.556   24.333 -6.007141 34.58716 
1 1 1   -8    5   13 o  604.331   18.967  4580.35  286.233  4601.99  404.846  4558.72  404.741  604.420   26.823  601.548   26.944 2.871887 38.01860 
1 1 1   -8    5   14 o  590.155   18.696  4367.50  275.522  4402.73  389.686  4332.30  389.609  591.262   26.393  586.474   26.603 4.788208 37.47389 
1 1 1   -8    5   15 o  296.095   10.914  1096.32   80.700  1112.16  114.210  1080.53  114.045  297.607   15.421  293.310   15.627 4.297333 21.95429 
1 1 1   -8    5   16 o  240.076   9.6882  720.533   58.082  767.683   82.339  673.834   81.944  247.309   13.382  231.567   14.240 15.74245 19.54121 
1 1 1   -8    5   17 o  364.584   12.798  1663.43  116.515  1800.95  165.040  1526.78  164.515  378.987   17.439  348.303   18.986 30.68372 25.77964 
1 1 1   -8    5   18 o  670.304   29.902  5685.90  500.524  5540.29  708.627  5830.87  707.072  655.473   43.540  673.110   42.280 -17.63708 60.69079 
1 1 1   -8    5   19 o  631.751   23.090  5028.25  364.266  4701.93  631.027  5191.33  446.098  603.309   42.150  640.601   27.886 -37.29144 50.53960 
1 1 1   -8    5   20 f  544.554   20.254  3731.94  275.431  3822.27  478.585  3687.20  336.797  545.690   35.310  540.177   24.968 5.512634 43.24563 
1 1 1   -8    5   21 o  294.843   13.395  1089.76   98.622  991.696  173.032  1136.94  120.027  278.795   25.124  300.478   16.054 -21.68271 29.81494 
1 1 1   -8    5   22 o  385.061   15.302  1862.44  147.141  1941.61  257.245  1823.94  179.384  389.965   26.575  380.467   18.881 9.498169 32.59882 
1 1 1   -8    5   23 o  437.028   16.578  2404.21  180.920  2601.48  316.375  2308.35  220.538  450.312   28.278  427.268   20.670 23.04422 35.02679 
1 1 1   -8    5   24 o  378.300   15.653  1801.88  147.867  1587.61  258.274  1906.36  180.350  350.134   29.823  388.449   18.592 -38.31485 35.14391 
1 1 1   -8    5   25 o  423.186   29.763  2323.09  312.528   0.0000   0.0000  2323.09  312.528  ?   ?   423.186   29.763 0.000000 29.76317 
1 1 1   -8    5   26 o  557.381   20.675  3950.21  287.766  4104.11  502.125  3874.93  351.153  556.800   36.312  549.416   25.594 7.383911 44.42524 
1 1 1   -8    5   27 o  174.577   10.657  383.925   46.235  454.947   90.054  358.504   53.878  188.308   19.430  168.319   12.917 19.98840 23.33149 
1 1 1   -8    5   28 o  395.116   15.736  1972.64  155.266  2083.41  274.358  1920.44  188.326  400.313   27.614  388.657   19.404 11.65640 33.74989 
1 1 1   -8    5   29 o  259.591   13.163  850.870   85.051  680.796  153.916  925.627  102.045  227.692   27.636  270.296   15.180 -42.60448 31.53067 
1 1 1   -8    5   30 o  534.444   20.606  3645.31  275.008  3457.78  480.948  3736.41  335.216  506.085   38.341  538.381   24.934 -32.29596 45.73503 
1 1 1   -8    5   31 o  151.127   14.780  291.163   55.064  231.790   92.875  323.345   68.378  130.923   29.156  158.699   17.548 -27.77672 34.02919 
1 1 1   -8    5   32 o  308.915   13.794  1204.18  106.412  1149.11  195.372  1227.41  126.884  296.480   26.674  310.792   16.407 -14.31168 31.31612 
1 1 1   -8    5   33 o  244.441   11.814  752.169   72.117  938.037  144.763  690.816   83.172  269.597   21.686  233.388   14.340 36.20883 25.99861 
1 1 1   -8    5   34 o  233.254   11.422  684.872   66.531  970.072  140.914  603.058   75.473  274.356   20.721  218.021   13.935 56.33481 24.97071 
1 1 1   -8    5   35 o  149.879   12.531  285.427   46.472  213.880  111.346  300.519   51.139  123.837   34.645  153.617   13.467 -29.77980 37.17073 
1 1 1   -8    5   36 o  147.043   20.664  283.868   73.783   0.0000   0.0000  283.868   73.783  ?   ?   147.043   20.664 0.000000 20.66422 
1 1 1   -8    5   37 f  167.990   11.889  358.723   49.553  482.425  126.749  336.404   53.838  188.317   27.788  162.259   13.407 26.05759 30.85325 
1 1 1   -8    5   38 o   38.018   14.977   10.903   20.907   1.0385  103.792   11.320   21.345   71.028   31.002   38.493   15.143 32.53462 34.50228 
1 1 1   -8    5   39 o  130.856   12.659  220.264   40.849  310.801  124.651  209.371   43.237  143.984   35.007  127.187   13.837 16.79739 37.64263 
1 1 1   -8    5   40 o   90.128   17.590  109.581   38.169  168.959  119.541  102.841   40.277  105.691   36.861   86.753   19.108 18.93739 41.51952 
1 1 1   -8    5   41 o  188.764   12.774  460.147   59.860  376.046  154.388  475.027   64.940  149.462   40.401  191.344   13.681 -41.88171 42.65423 
1 1 1   -8    5   42 o   47.992   15.867   29.292   22.118  224.145  137.610   24.125   22.409  114.215   39.565   45.152   15.944 69.06345 42.65685 
1 1 1   -8    5   43 o  182.614   12.462  432.987   56.489  456.163  174.727  430.281   59.695  156.704   43.240  181.586   13.256 -24.88139 45.22615 
1 1 1   -8    5   44 o   47.474   16.004   28.764   22.484  142.809  159.225   26.444   22.711   94.458   39.732   46.234   16.070 48.22387 42.85841 
1 1 1   -8    5   45 o  149.601   20.454  317.658   74.409   0.0000   0.0000  317.658   74.409  ?   ?   149.601   20.454 0.000000 20.45350 
1 1 1   -8    6    1 o  201.639   9.1246  508.284   45.945  505.843   64.823  510.748   65.130  200.609   13.010  201.583   13.008 -0.9745636 18.39733 
1 1 1   -8    6    2 o   83.818   8.7772   88.779   18.099   89.482   25.469   88.062   25.724   83.632   12.585   82.912   12.839 0.7199402 17.97888 
1 1 1   -8    6    3 o  344.923   12.181  1488.79  104.916  1481.99  148.302  1495.61  148.447  343.307   17.355  345.327   17.214 -2.020660 24.44442 
1 1 1   -8    6    4 o  554.101   17.411  3851.03  240.908  3664.50  340.293  4038.46  341.099  539.159   25.275  566.242   24.123 -27.08258 34.93879 
1 1 1   -8    6    5 o  329.554   11.837  1358.87   97.415  1333.42  137.689  1384.38  137.842  325.656   16.990  332.298   16.611 -6.641876 23.76134 
1 1 1   -8    6    6 o  304.668   11.252  1161.12   85.610  1158.44  121.009  1163.82  121.132  303.609   16.017  304.319   15.996 -0.7095947 22.63681 
1 1 1   -8    6    7 o  138.255   8.4761  239.802   29.122  229.995   41.132  249.661   41.239  135.016   12.336  140.769   11.841 -5.753067 17.09946 
1 1 1   -8    6    8 o  315.082   11.538  1241.84   90.780  1262.83  128.449  1220.89  128.316  317.032   16.280  311.677   16.546 5.355560 23.21173 
1 1 1   -8    6    9 o  434.406   14.402  2362.74  156.237  2374.15  220.936  2351.33  220.968  434.855   20.346  432.748   20.448 2.106689 28.84531 
1 1 1   -8    6   10 o  246.774   9.4075  761.234   57.973  732.121   81.759  790.673   82.215  241.476   13.614  251.020   13.162 -9.543976 18.93589 
1 1 1   -8    6   11 o  327.859   11.615  1344.43   95.097  1348.02  134.411  1340.82  134.563  327.603   16.483  326.717   16.547 0.8869324 23.35558 
1 1 1   -8    6   12 o  331.241   11.934  1372.40   98.716  1408.74  139.595  1336.04  139.615  335.315   16.671  326.063   17.208 9.252747 23.95896 
1 1 1   -8    6   13 o  259.503   10.407  841.955   67.439  817.315   95.255  866.718   95.490  255.053   15.022  262.716   14.613 -7.663483 20.95723 
1 1 1   -8    6   14 o  686.907   30.435  5959.52  522.057   0.0000   0.0000  5959.52  522.057  ?   ?   686.907   30.435 0.000000 30.43471 
1 1 1   -8    6   15 o  407.000   16.000  2075.03  162.617  1995.81  199.092  2233.83  281.866  398.284   20.082  420.183   27.006 -21.89856 33.65440 
1 1 1   -8    6   16 o  332.393   12.058  1382.17  100.084  1443.74  141.640  1320.76  141.440  339.417   16.711  324.111   17.541 15.30655 24.22670 
1 1 1   -8    6   17 o  136.894   9.1981  235.320   31.261  276.275   44.394  195.035   44.028  148.108   12.109  123.962   14.497 24.14603 18.88883 
1 1 1   -8    6   18 o  520.218   23.442  3407.24  304.531  2620.94  430.091  4197.81  431.256  451.571   38.508  575.120   30.133 -123.5489 48.89653 
1 1 1   -8    6   19 f  326.315   17.243  1339.90  140.006  1246.87  199.969  1429.34  196.085  313.221   25.795  335.970   23.520 -22.74905 34.90840 
1 1 1   -8    6   20 o  273.700   12.528  938.173   85.625  986.202  150.757  915.302  104.034  278.937   21.817  269.686   15.513 9.250763 26.77005 
1 1 1   -8    6   21 o  170.206   10.916  364.148   46.153  398.920   84.556  349.392   55.082  176.969   19.455  166.423   13.367 10.54573 23.60403 
1 1 1   -8    6   22 o  301.911   13.676  1143.50  103.105  847.461  180.116  1287.79  125.746  256.386   28.621  320.150   15.729 -63.76401 32.65795 
1 1 1   -8    6   23 o  207.667   11.185  541.981   57.788  582.761  104.759  524.144   69.282  213.930   19.835  203.878   13.688 10.05167 24.09964 
1 1 1   -8    6   24 o  197.049   10.897  488.214   53.414  596.786   98.925  443.534   63.460  216.627   18.463  187.400   13.655 29.22731 22.96387 
1 1 1   -8    6   25 o  365.786   14.953  1684.83  136.590  1731.64  240.358  1662.50  165.999  366.691   26.426  362.116   18.418 4.575134 32.21088 
1 1 1   -8    6   26 o  573.540   39.036  4386.62  555.761   0.0000   0.0000  4386.62  555.761  ?   ?   573.540   39.036 0.000000 39.03600 
1 1 1   -8    6   27 o  212.542   12.233  569.705   64.654  440.746  118.127  624.858   77.252  183.259   26.589  222.297   13.988 -39.03851 30.04384 
1 1 1   -8    6   28 o  215.605   10.639  583.545   57.281  833.374  111.134  493.164   66.844  255.920   17.495  197.408   13.643 58.51225 22.18562 
1 1 1   -8    6   29 o  199.933   12.205  504.620   60.643  348.164  112.775  568.264   71.927  161.466   29.037  211.928   13.664 -50.46274 32.09109 
1 1 1   -8    6   30 o  739.398   27.437  7089.87  506.604  7046.59  881.515  7111.22  619.043  705.606   50.359  733.487   33.797 -27.88135 60.64878 
1 1 1   -8    6   31 o  138.728   12.025  243.903   41.246  283.189   88.965  233.146   46.552  146.276   25.269  135.253   13.985 11.02245 28.88101 
1 1 1   -8    6   32 o  179.643   14.520  410.142   64.579  407.814  107.125  411.472   80.940  176.157   25.059  179.006   18.367 -2.848755 31.06924 
1 1 1   -8    6   33 f  162.012   12.319  332.434   49.466  178.833  105.548  375.667   55.996  114.741   34.237  172.123   13.127 -57.38149 36.66716 
1 1 1   -8    6   34 o  103.813   12.568  137.775   31.919  289.938   93.772  117.835   33.946  147.307   26.464   95.454   14.714 51.85393 30.27979 
1 1 1   -8    6   35 o  196.637   12.182  489.338   59.526  495.608  128.380  487.621   67.184  192.858   27.430  195.915   13.821 -3.057343 30.71518 
1 1 1   -8    6   36 o  120.014   13.077  184.209   38.558  224.126  109.277  178.533   41.208  126.377   33.918  117.856   14.294 8.521111 36.80683 
1 1 1   -8    6   37 o  228.490   21.619  683.906  121.890   0.0000   0.0000  683.906  121.890  ?   ?   228.490   21.619 0.000000 21.61941 
1 1 1   -8    6   38 o  225.616   29.766  702.855  163.607  702.855  163.607   0.0000   0.0000  225.616   29.766  ?   ?  0.000000 29.76576 
1 1 1   -8    6   39 o  176.090   12.526  396.628   54.720  390.030  137.759  397.864   59.626  162.488   34.985  175.964   13.677 -13.47668 37.56370 
1 1 1   -8    6   40 o  139.749   12.386  251.239   42.776  281.402  128.373  247.472   45.369  134.334   37.061  138.384   13.292 -4.049805 39.37296 
1 1 1   -8    6   41 o   68.725   18.399   64.616   32.204  149.139  126.231   58.732   33.306  100.335   37.476   65.699   19.135 34.63621 42.07887 
1 1 1   -8    6   42 o   62.080   15.899   52.377   24.756   62.854  134.105   52.007   25.189   83.961   35.932   61.838   16.140 22.12378 39.39043 
1 1 1   -8    6   43 o   36.746   14.679   9.9002   20.346  230.672  147.057   5.5919   20.543  113.881   40.776   34.921   14.447 78.96020 43.26009 
1 1 1   -8    6   44 o  112.088   12.882  165.096   35.402  436.517  169.490  152.714   36.201  151.871   42.835  107.351   13.825 44.51953 45.01090 
1 1 1   -8    6   45 o  165.464   13.204  360.424   54.105  205.031  194.790  373.415   56.322  101.731   43.415  168.228   13.521 -66.49699 45.47172 
1 1 1   -8    6   46 o   97.766   22.579  142.977   54.011   0.0000   0.0000  142.977   54.011  ?   ?    97.766   22.579 0.000000 22.57887 
1 1 1   -8    7    1 o  205.550   9.2941  528.178   47.706  565.448   67.427  490.819   67.507  212.182   12.785  197.528   13.772 14.65311 18.79172 
1 1 1   -8    7    2 o  135.387   8.5456  230.008   28.743  233.711   40.453  226.234   40.848  136.147   12.022  133.897   12.356 2.250198 17.23935 
1 1 1   -8    7    3 o  427.594   14.132  2289.34  150.896  2310.01  213.370  2268.66  213.427  428.924   19.921  425.045   20.108 3.878937 28.30468 
1 1 1   -8    7    4 o  556.363   17.552  3881.77  243.863  3845.57  344.794  3918.00  344.955  552.531   24.989  557.754   24.767 -5.222717 35.18312 
1 1 1   -8    7    5 o  290.276   10.932  1053.83   79.241  1088.85  112.081  1018.84  112.047  294.429   15.297  284.718   15.822 9.710327 22.00718 
1 1 1   -8    7    6 o  147.340   8.4983  272.233   31.136  268.263   43.905  276.250   44.161  145.926   12.159  148.108   12.044 -2.182266 17.11473 
1 1 1   -8    7    7 o  548.715   17.380  3774.86  238.142  3824.89  336.825  3724.85  336.742  551.228   24.469  543.914   24.792 7.314758 34.83400 
1 1 1   -8    7    8 o  683.192   21.272  5863.13  362.909  5912.98  513.281  5813.30  513.182  684.042   30.048  678.183   30.302 5.859253 42.67471 
1 1 1   -8    7    9 o  421.362   14.076  2222.56  148.112  2230.24  209.401  2214.86  209.523  421.548   19.892  420.082   19.973 1.465332 28.18905 
1 1 1   -8    7   10 o  542.064   17.130  3682.59  231.873  3667.55  327.863  3697.65  327.974  539.929   24.317  542.155   24.225 -2.225830 34.32429 
1 1 1   -8    7   11 o  751.226   22.970  7093.29  430.906  7025.71  609.227  7160.94  609.561  745.098   32.743  752.325   32.446 -7.227417 46.09585 
1 1 1   -8    7   12 f  569.411   18.063  4064.80  256.842  4025.72  363.146  4103.91  363.313  565.490   25.716  570.998   25.480 -5.507690 36.20134 
1 1 1   -8    7   13 o  425.098   16.525  2264.01  175.423  2278.49  304.517  2256.81  214.611  424.017   28.932  424.060   20.266 -0.4290771E-01 35.32399 
1 1 1   -8    7   14 o  600.863   26.980  4549.30  404.826  4549.30  404.826   0.0000   0.0000  600.863   26.980  ?   ?  0.000000 26.98006 
1 1 1   -8    7   15 o  292.923   11.156  1073.06   81.606  1097.75  115.399  1048.37  115.418  295.629   15.688  288.841   16.065 6.787384 22.45427 
1 1 1   -8    7   16 o  450.552   14.962  2542.24  168.337  2498.67  237.876  2585.94  238.254  445.982   21.359  453.746   21.027 -7.764099 29.97245 
1 1 1   -8    7   17 o  379.937   13.214  1806.85  125.368  1809.95  177.252  1803.75  177.341  379.791   18.689  379.136   18.731 0.6549377 26.46028 
1 1 1   -8    7   18 o  476.521   15.766  2846.09  187.608  2902.63  265.379  2789.59  265.256  480.343   22.124  470.827   22.561 9.516449 31.59842 
1 1 1   -8    7   19 o  470.853   21.865  2790.93  257.094  2113.99  363.373  3469.45  363.798  405.401   36.277  522.910   27.961 -117.5091 45.80250 
1 1 1   -8    7   20 o  434.303   14.681  2364.97  159.218  2427.23  225.288  2302.84  225.048  439.104   20.546  427.613   21.075 11.49014 29.43285 
1 1 1   -8    7   21 o  525.562   19.830  3478.81  260.250  3351.19  451.937  3542.13  318.328  509.776   35.727  529.239   24.086 -19.46274 43.08833 
1 1 1   -8    7   22 o  505.315   19.291  3218.29  243.428  2916.77  422.525  3368.10  297.821  474.396   35.933  515.892   23.118 -41.49591 42.72739 
1 1 1   -8    7   23 o  110.622   11.609  155.058   31.592  156.458   62.672  154.581   36.579  109.009   23.699  110.152   13.586 -1.143219 27.31682 
1 1 1   -8    7   24 o  280.699   13.045  989.371   91.437  962.535  161.859  1001.95  110.813  274.075   23.888  281.672   15.818 -7.596741 28.65066 
1 1 1   -8    7   25 o  254.887   12.081  815.634   76.897  939.093  138.910  761.085   92.335  271.330   20.657  245.379   15.143 25.95018 25.61247 
1 1 1   -8    7   26 o  535.743   19.936  3642.94  266.710  3795.81  465.576  3568.26  325.394  536.967   34.911  527.942   24.682 9.024719 42.75429 
1 1 1   -8    7   27 o  197.120   20.293  498.990   98.465   0.0000   0.0000  498.990   98.465  ?   ?   197.120   20.293 0.000000 20.29330 
1 1 1   -8    7   28 o  347.102   13.786  1517.75  119.490  1716.43  213.285  1426.86  144.254  365.356   23.502  335.273   17.289 30.08255 29.17595 
1 1 1   -8    7   29 o  285.918   12.394  1028.39   88.494  1214.59  162.014  949.218  105.647  307.837   21.205  273.687   15.522 34.14984 26.27879 
1 1 1   -8    7   30 o  346.936   15.313  1520.70  132.669  1281.95  235.428  1631.80  160.597  311.824   30.629  358.152   18.014 -46.32831 35.53398 
1 1 1   -8    7   31 o  419.691   16.505  2230.40  172.981  2348.80  306.954  2175.30  209.398  423.570   29.198  412.998   20.304 10.57227 35.56377 
1 1 1   -8    7   32 o  278.191   15.578  981.825  107.782  1114.05  164.175  881.671  142.886  293.926   22.539  261.467   22.091 32.45938 31.55960 
1 1 1   -8    7   33 o  362.442   14.538  1659.67  131.579  1801.46  239.107  1598.08  157.585  372.101   25.894  354.167   17.876 17.93393 31.46465 
1 1 1   -8    7   34 f  184.241   11.072  428.413   50.706  623.026  114.725  381.166   56.527  219.542   21.189  173.351   13.156 46.19026 24.94147 
1 1 1   -8    7   35 o  232.684   12.943  685.312   74.906  528.386  149.042  738.345   86.643  197.671   31.231  241.149   14.455 -43.47868 34.41391 
1 1 1   -8    7   36 o  136.515   12.654  237.309   42.646  240.389  108.843  236.750   46.352  131.214   33.193  136.095   13.831 -4.881531 35.95966 
1 1 1   -8    7   37 o  121.032   13.754  188.066   40.832   0.0000   0.0000  188.066   40.832  ?   ?   121.032   13.754 0.000000 13.75424 
1 1 1   -8    7   38 o  221.865   21.606  648.282  118.188   0.0000   0.0000  648.282  118.188  ?   ?   221.865   21.606 0.000000 21.60633 
1 1 1   -8    7   39 o  198.473   12.315  502.492   60.736  505.987  145.622  501.757   66.826  188.407   32.102  197.867   13.607 -9.460602 34.86697 
1 1 1   -8    7   40 o  297.167   12.753  1127.93   94.641  1577.32  206.104  1007.85  106.536  340.759   24.382  279.130   15.343 61.62857 28.80770 
1 1 1   -8    7   41 o   73.486   15.854   72.688   28.239 -95.0487  121.459   82.273   29.035   62.432   29.518   78.426   15.375 -15.99469 33.28223 
1 1 1   -8    7   42 o  142.896   16.523  270.996   57.874  287.169  144.321  267.897   63.176  129.762   40.302  141.117   18.362 -11.35486 44.28837 
1 1 1   -8    7   43 o   59.274   16.642   47.795   25.645   48.631  144.394   47.768   26.059   82.908   36.366   59.265   16.824 23.64301 40.06930 
1 1 1   -8    7   44 o   95.323   14.233  120.993   32.842 -66.9735  157.816  129.502   33.577   71.505   33.759   98.770   14.006 -27.26475 36.54888 
1 1 1   -8    7   45 o   33.891   14.194   4.1834   20.176 -212.5884  163.713   7.5266   20.331   61.208   30.154   35.463   14.489 25.74454 33.45384 
1 1 1   -8    7   46 o   68.616   16.050   65.601   27.011  -7.9448  187.174   67.165   27.297   77.572   36.667   69.439   16.062 8.132851 40.03007 
1 1 1   -8    8    1 o  299.791   11.116  1124.06   83.216  1112.05  117.463  1136.16  117.909  297.508   15.868  300.738   15.755 -3.230011 22.36108 
1 1 1   -8    8    2 o  103.849   8.4949  135.688   21.837  141.277   30.665  129.937   31.104  105.614   11.830  101.128   12.589 4.486137 17.27550 
1 1 1   -8    8    3 o  303.937   11.201  1155.39   85.018  1165.88  120.143  1144.88  120.323  304.645   15.847  301.862   16.019 2.783264 22.53355 
1 1 1   -8    8    4 o  203.610   9.2587  518.234   47.076  515.372   66.390  521.128   66.763  202.498   13.201  203.631   13.200 -1.133087 18.66870 
1 1 1   -8    8    5 o  230.910   9.7669  666.602   56.319  687.216   79.413  645.745   79.882  233.913   13.655  226.667   14.184 7.246521 19.68844 
1 1 1   -8    8    6 o  441.379   14.609  2439.41  161.021  2375.05  227.533  2503.98  227.903  434.863   20.953  446.573   20.436 -11.71042 29.26888 
1 1 1   -8    8    7 o  350.986   12.334  1541.26  108.101  1504.28  152.703  1578.40  153.053  345.930   17.737  354.846   17.272 -8.916473 24.75728 
1 1 1   -8    8    8 o  347.624   12.342  1511.84  107.134  1490.32  151.361  1533.45  151.662  344.334   17.662  349.759   17.364 -5.424561 24.76839 
1 1 1   -8    8    9 o  619.468   19.423  4814.75  300.460  4995.12  425.144  4634.76  424.686  629.531   27.044  606.181   28.055 23.34955 38.96757 
1 1 1   -8    8   10 o  224.879   9.6097  632.162   53.964  621.826   76.146  642.592   76.489  222.471   13.774  226.186   13.605 -3.715286 19.36058 
1 1 1   -8    8   11 o  231.180   9.6792  668.091   55.878  708.050   79.353  628.790   78.697  237.486   13.436  223.682   14.162 13.80446 19.52129 
1 1 1   -8    8   12 o  312.782   11.499  1223.56   89.814  1224.17  126.958  1222.96  127.074  312.171   16.343  312.014   16.366 0.1566772 23.12889 
1 1 1   -8    8   13 o  422.748   14.172  2237.11  149.609  2297.06  211.803  2177.42  211.355  427.855   19.824  416.512   20.321 11.34372 28.38839 
1 1 1   -8    8   14 o  316.553   11.634  1253.34   91.969  1197.20  129.798  1309.94  130.331  308.627   16.906  323.362   16.140 -14.73459 23.37342 
1 1 1   -8    8   15 o  376.503   12.976  1773.87  121.996  1775.55  172.415  1772.19  172.643  376.263   18.350  375.904   18.392 0.3598938 25.98016 
1 1 1   -8    8   16 o  340.583   12.294  1451.34  104.562  1380.92  147.579  1522.32  148.170  331.355   17.902  348.480   17.027 -17.12503 24.70591 
1 1 1   -8    8   17 o  513.279   16.555  3302.69  212.196  3233.97  299.867  3371.60  300.313  506.852   23.692  517.606   23.234 -10.75363 33.18313 
1 1 1   -8    8   18 o  201.174   9.4844  506.039   47.646  523.746   67.433  488.384   67.332  204.092   13.304  197.001   13.773 7.091599 19.14939 
1 1 1   -8    8   19 o  569.428   25.952  4096.81  369.032  3928.87  522.763  4263.62  521.021  552.677   38.111  576.582   36.373 -23.90485 52.68193 
1 1 1   -8    8   20 o  257.472   14.451  833.746   92.538  948.802  134.116  729.195  127.847  273.907   19.740  239.607   21.599 34.30008 29.26074 
1 1 1   -8    8   21 o  328.715   11.807  1353.39   96.918  1444.19  137.401  1263.48  136.728  339.091   16.226  316.566   17.362 22.52527 23.76424 
1 1 1   -8    8   22 o  287.220   13.053  1034.53   93.625  1000.95  164.788  1050.54  113.771  280.149   23.780  288.711   15.841 -8.561981 28.57290 
1 1 1   -8    8   23 o  261.874   11.716  859.703   76.618  965.191  137.066  811.762   92.402  275.711   20.045  253.768   14.643 21.94379 24.82410 
1 1 1   -8    8   24 o  543.403   20.270  3737.54  275.062  3823.69  478.757  3695.09  336.065  541.005   35.637  538.413   24.995 2.591370 43.52889 
1 1 1   -8    8   25 o   75.656   13.325   74.033   24.254   63.733   54.645   76.560   27.066   73.270   24.949   76.743   14.658 -3.472992 28.93612 
1 1 1   -8    8   26 o  449.274   17.603  2552.55  197.495  2521.13  345.062  2567.86  240.845  439.336   31.664  449.235   21.469 -9.899292 38.25639 
1 1 1   -8    8   27 f  335.403   25.452  1452.52  211.588   0.0000   0.0000  1452.52  211.588  ?   ?   335.403   25.452 0.000000 25.45215 
1 1 1   -8    8   28 o  128.720   21.043  216.269   65.302   0.0000   0.0000  216.269   65.302  ?   ?   128.720   21.043 0.000000 21.04286 
1 1 1   -8    8   29 o  246.200   11.667  761.830   71.728  949.006  134.780  687.872   84.722  272.384   19.954  233.063   14.631 39.32080 24.74326 
1 1 1   -8    8   30 o  354.741   15.377  1589.87  136.214  1477.17  241.561  1642.42  164.938  335.808   29.094  359.185   18.451 -23.37720 34.45108 
1 1 1   -8    8   31 o  320.769   13.763  1297.22  110.247  1325.80  199.461  1284.64  132.291  319.795   25.180  318.064   16.714 1.730896 30.22289 
1 1 1   -8    8   32 o  130.338   12.968  216.058   41.649  139.128   91.298  236.274   46.802  102.698   32.081  136.169   13.961 -33.47135 34.98734 
1 1 1   -8    8   33 o  342.856   17.857  1497.40  152.362  1597.87  225.934  1413.60  206.342  350.389   26.007  329.855   25.242 20.53488 36.24246 
1 1 1   -8    8   34 o  139.845   13.398  248.916   46.215  109.684  104.356  282.885   51.545   96.010   34.353  149.036   14.014 -53.02616 37.10132 
1 1 1   -8    8   35 o   83.904   14.698   91.591   29.674   91.869   94.187   91.561   31.266   89.444   32.551   83.721   15.527 5.722832 36.06430 
1 1 1   -8    8   36 o  224.734   13.016  640.097   72.734  505.024  148.910  682.419   83.354  192.270   32.149  231.667   14.481 -39.39694 35.26012 
1 1 1   -8    8   37 o  196.464   29.215  523.574  138.966  523.574  138.966   0.0000   0.0000  196.464   29.215  ?   ?  0.000000 29.21461 
1 1 1   -8    8   38 o  129.108   12.280  212.929   39.115  190.311  114.950  215.891   41.598  115.531   35.982  129.837   13.005 -14.30518 38.26037 
1 1 1   -8    8   39 o  103.934   23.675  148.467   60.073   0.0000   0.0000  148.467   60.073  ?   ?   103.934   23.675 0.000000 23.67464 
1 1 1   -8    8   40 f  141.278   12.196  255.959   42.607  258.058  128.983  255.702   45.140  129.497   37.639  140.966   12.969 -11.46884 39.81099 
1 1 1   -8    8   41 o   94.181   13.409  115.960   30.646  491.919  131.925   94.515   31.508  184.729   29.598   84.208   15.557 100.5213 33.43700 
1 1 1   -8    8   42 o  132.175   12.527  226.133   40.853  364.521  147.225  214.588   42.523  148.702   39.121  128.378   13.465 20.32448 41.37288 
1 1 1   -8    8   43 o  116.403   16.690  181.560   47.127  316.352  150.924  166.997   49.607  134.258   41.134  110.666   18.611 23.59209 45.14867 
1 1 1   -8    8   44 o  101.938   14.258  137.839   35.303   42.462  150.765  143.372   36.312   82.274   36.575  103.950   14.373 -21.67577 39.29751 
1 1 1   -8    8   45 o   57.412   16.451   45.183   24.797   59.194  164.643   44.858   25.083   84.421   37.825   57.228   16.588 27.19369 41.30293 
1 1 1   -8    8   46 o   75.175   15.841   78.029   28.800   69.470  181.279   78.251   29.171   84.903   38.699   75.212   16.022 9.690659 41.88504 
1 1 1   -8    9    1 o  140.464   11.966  248.613   41.571  249.073   58.425  248.141   59.164  139.934   17.073  139.629   17.342 0.3055878 24.33582 
1 1 1   -8    9    2 o  131.758   8.6893  217.922   28.429  218.445   39.816  217.378   40.606  131.569   12.260  131.211   12.546 0.3580627 17.54128 
1 1 1   -8    9    3 o  233.095   9.8505  679.289   57.338  713.993   81.071  644.556   81.105  238.442   13.673  226.434   14.419 12.00810 19.87054 
1 1 1   -8    9    4 o  289.971   10.999  1051.57   79.648  1083.79  112.529  1019.21  112.749  293.754   15.394  284.783   15.918 8.971222 22.14390 
1 1 1   -8    9    5 o  214.228   9.4880  573.714   50.757  569.267   71.587  578.209   71.979  212.836   13.539  214.512   13.506 -1.675644 19.12397 
1 1 1   -8    9    6 o  626.940   19.544  4932.53  305.975  4904.61  432.598  4960.48  432.830  623.560   27.781  627.135   27.638 -3.574341 39.18756 
1 1 1   -8    9    7 o  633.589   19.786  5038.10  313.047  5087.81  442.719  4988.39  442.713  635.098   27.915  628.797   28.194 6.300293 39.67570 
1 1 1   -8    9    8 o  395.838   13.460  1961.00  133.048  1951.13  187.973  1970.91  188.344  394.371   19.087  396.371   19.028 -2.000031 26.95164 
1 1 1   -8    9    9 o  456.398   15.078  2608.44  171.850  2724.64  243.030  2492.24  243.036  465.826   20.892  445.400   21.851 20.42654 30.23161 
1 1 1   -8    9   10 o  547.419   17.472  3756.30  238.845  3891.03  337.939  3621.83  337.617  556.130   24.334  536.400   25.205 19.73022 35.03461 
1 1 1   -8    9   11 o   96.050   9.2392  116.380   21.887   94.151   30.859  138.883   31.049   85.470   15.006  104.674   12.101 -19.20446 19.27732 
1 1 1   -8    9   12 f  484.054   22.487  2944.56  271.821   0.0000   0.0000  2944.56  271.821  ?   ?   484.054   22.487 0.000000 22.48739 
1 1 1   -8    9   13 o  541.335   24.638  3687.73  333.056  3687.73  333.056   0.0000   0.0000  541.335   24.638  ?   ?  0.000000 24.63770 
1 1 1   -8    9   14 o  267.319   10.706  893.587   71.468  928.227  100.994  858.840  101.149  271.849   14.934  261.390   15.567 10.45914 21.57204 
1 1 1   -8    9   15 o  382.866   13.305  1834.69  127.209  1832.18  179.697  1837.21  180.105  382.143   18.831  382.665   18.848 -0.5222168 26.64252 
1 1 1   -8    9   16 o  204.287   9.5680  521.761   48.811  521.380   68.773  522.148   69.287  203.626   13.603  203.767   13.696 -0.1412506 19.30368 
1 1 1   -8    9   17 o  576.648   17.925  4172.17  258.123  4238.39  365.093  4105.99  364.990  579.827   25.215  570.612   25.615 9.215942 35.94296 
1 1 1   -8    9   18 o  410.459   13.978  2110.40  143.274  2153.05  202.512  2067.65  202.728  413.943   19.591  405.594   20.016 8.349487 28.00785 
1 1 1   -8    9   19 o  587.589   26.607  4367.17  390.403  4324.45  553.143  4409.57  551.090  579.498   38.442  585.446   37.898 -5.947693 53.98227 
1 1 1   -8    9   20 o  193.477   13.902  471.645   66.719  406.030   97.716  528.951   91.319  178.040   22.479  204.354   18.082 -26.31364 28.84907 
1 1 1   -8    9   21 o  300.203   11.816  1128.90   88.579  1172.51  125.257  1085.27  125.283  305.041   16.505  293.325   17.179 11.71536 23.82266 
1 1 1   -8    9   22 o  176.326   9.6548  390.307   42.350  413.542   60.022  367.273   59.763  181.079   13.368  170.480   14.167 10.59909 19.47821 
1 1 1   -8    9   23 o  136.335   11.518  234.642   38.846  193.911   73.277  250.563   45.814  121.355   25.012  140.686   13.195 -19.33079 28.27885 
1 1 1   -8    9   24 o  294.684   13.386  1090.84   98.505  1053.11  173.598  1108.76  119.629  286.542   24.496  296.243   16.233 -9.701233 29.38658 
1 1 1   -8    9   25 o   94.610   12.754  114.444   29.364  106.617   61.065  116.798   33.490   90.157   25.810   95.275   14.537 -5.117104 29.62256 
1 1 1   -8    9   26 o  261.661   12.449  860.357   81.344  901.696  146.039  841.762   97.945  265.146   22.262  257.964   15.273 7.181488 26.99751 
1 1 1   -8    9   27 o  184.380   11.133  428.336   51.020  558.116   97.175  378.948   59.947  208.981   18.823  172.910   14.004 36.07076 23.46050 
1 1 1   -8    9   28 o  416.911   29.776  2269.59  307.959   0.0000   0.0000  2269.59  307.959  ?   ?   416.911   29.776 0.000000 29.77592 
1 1 1   -8    9   29 o  115.480   12.474  169.667   35.402   79.448   75.631  194.980   40.061   82.803   29.286  123.766   13.164 -40.96272 32.10830 
1 1 1   -8    9   30 o  489.199   19.172  3042.82  234.208  2898.89  409.996  3112.53  285.348  466.343   35.472  492.723   23.191 -26.37958 42.38070 
1 1 1   -8    9   31 o  324.554   14.104  1328.56  114.310  1402.77  206.820  1295.91  137.165  328.942   25.374  319.299   17.267 9.643066 30.69179 
1 1 1   -8    9   32 o  183.220   11.701  423.839   53.256  445.819  109.653  417.053   60.925  184.657   24.375  181.398   13.547 3.258713 27.88717 
1 1 1   -8    9   33 o  134.870   12.650  231.063   42.108  240.393   94.315  228.740   47.058  133.326   29.141  133.870   14.298 -0.5436249 32.45981 
1 1 1   -8    9   34 f  119.575   14.402  183.154   42.139  359.508   94.771  139.697   47.045  165.569   23.589  103.182   18.957 62.38696 30.26193 
1 1 1   -8    9   35 o  183.553   12.140  426.278   55.333  442.574  122.058  422.063   62.078  182.266   27.688  182.304   13.737 -0.3837585E-01 30.90855 
1 1 1   -8    9   36 o   65.297   17.019   56.272   28.034   0.0000   0.0000   56.272   28.034  ?   ?    65.297   17.019 0.000000 17.01927 
1 1 1   -8    9   37 o  155.528   12.452  307.543   47.956  280.280  119.248  312.803   52.378  140.975   34.219  156.611   13.526 -15.63651 36.79473 
1 1 1   -8    9   38 o  159.999   12.234  325.836   48.511  495.851  127.921  297.279   52.427  191.170   27.595  152.348   13.935 38.82159 30.91394 
1 1 1   -8    9   39 o  102.251   13.717  135.425   34.142  187.816  119.456  130.765   35.628  113.931   36.830  100.189   14.675 13.74158 39.64655 
1 1 1   -8    9   40 o  136.694   22.275  253.289   73.418   0.0000   0.0000  253.289   73.418  ?   ?   136.694   22.275 0.000000 22.27532 
1 1 1   -8    9   41 f  158.937   12.506  324.744   49.237  410.494  141.758  312.980   52.506  164.095   35.616  155.590   13.652 8.505173 38.14304 
1 1 1   -8    9   42 o  144.943   13.067  272.090   46.788  233.807  149.296  276.259   49.270  118.500   41.202  145.805   13.692 -27.30502 43.41712 
1 1 1   -8    9   43 o   58.843   16.284   46.893   24.739  352.557  147.009   37.985   25.097  144.433   39.583   53.688   16.828 90.74527 43.01196 
1 1 1   -8    9   44 o  156.574   17.364  329.007   66.747  263.958  170.565  340.770   72.532  118.977   43.727  158.535   18.680 -39.55837 47.54947 
1 1 1   -8    9   45 o  114.419   13.589  172.781   38.068   84.525  165.723  177.697   39.114   88.282   38.836  115.970   13.776 -27.68839 41.20652 
1 1 1   -8    9   46 o   90.333   14.935  110.424   32.514  122.145  184.443  110.048   33.031   91.796   40.647   90.041   15.234 1.755356 43.40819 
1 1 1   -8   10    1 o  202.935   9.5219  514.863   48.254  515.925   67.900  513.779   68.588  202.568   13.500  202.126   13.669 0.4414063 19.21193 
1 1 1   -8   10    2 o  329.730   16.793  1366.31  137.814  1309.36  194.573  1423.64  195.225  321.600   24.410  335.589   23.443 -13.98874 33.84412 
1 1 1   -8   10    3 o  481.835   22.237  2918.46  267.568  2814.10  378.182  3023.06  378.613  470.300   32.399  487.838   31.243 -17.53745 45.00945 
1 1 1   -8   10    4 o  204.219   9.3868  521.354   47.870  525.285   67.363  517.344   68.039  204.438   13.267  202.856   13.509 1.582336 18.93373 
1 1 1   -8   10    5 o  309.297   11.392  1196.55   87.989  1166.19  124.165  1227.18  124.706  304.627   16.382  312.557   16.031 -7.929688 22.92140 
1 1 1   -8   10    6 o  768.040   23.271  7418.66  446.319  7368.85  630.997  7468.53  631.384  762.644   33.133  767.853   32.928 -5.209412 46.71208 
1 1 1   -8   10    7 o  183.277   8.9134  419.849   40.794  417.628   57.305  422.130   58.086  182.256   12.670  183.229   12.775 -0.9736176 17.99219 
1 1 1   -8   10    8 o  481.138   15.660  2899.77  188.156  2931.51  266.034  2867.99  266.151  482.998   22.057  477.701   22.311 5.297180 31.37332 
1 1 1   -8   10    9 o  577.563   18.267  4183.31  263.456  4188.30  372.485  4178.31  372.681  576.643   25.867  575.946   25.912 0.6971436 36.61362 
1 1 1   -8   10   10 o  335.808   12.077  1410.69  101.277  1390.07  143.037  1431.43  143.419  332.567   17.283  337.518   17.071 -4.951019 24.29267 
1 1 1   -8   10   11 o  395.714   13.436  1959.81  132.771  1899.97  187.676  2019.76  187.858  389.135   19.313  401.271   18.747 -12.13666 26.91595 
1 1 1   -8   10   12 o  290.857   11.147  1058.02   80.964  1145.53  114.580  970.765  114.419  302.049   15.240  277.840   16.567 24.20908 22.51018 
1 1 1   -8   10   13 o  184.021   8.8703  423.267   40.762  434.982   57.420  411.365   57.875  186.042   12.431  180.853   12.899 5.189621 17.91447 
1 1 1   -8   10   14 f  418.447   13.984  2192.15  146.122  2153.93  206.372  2230.58  206.924  414.207   19.952  421.547   19.657 -7.339844 28.00840 
1 1 1   -8   10   15 o  450.017   14.971  2536.68  168.242  2509.87  237.699  2563.59  238.162  446.904   21.299  451.686   21.115 -4.782196 29.99142 
1 1 1   -8   10   16 o  641.399   20.167  5167.97  323.008  5213.28  456.741  5122.63  456.864  642.270   28.477  636.591   28.739 5.678894 40.45876 
1 1 1   -8   10   17 o  539.102   17.294  3646.24  232.814  3637.35  329.117  3655.13  329.381  537.146   24.536  538.466   24.496 -1.319519 34.67081 
1 1 1   -8   10   18 o  187.135   9.5101  439.073   44.296  452.976   62.309  424.868   62.984  189.721   13.235  183.642   13.836 6.079300 19.14652 
1 1 1   -8   10   19 o  414.323   20.157  2160.28  208.557  1987.80  295.968  2330.39  293.932  394.411   30.281  428.005   27.649 -33.59363 41.00491 
1 1 1   -8   10   20 o  514.710   23.729  3348.08  304.993  3369.72  432.697  3326.72  429.967  512.091   34.030  508.795   34.037 3.296204 48.13102 
1 1 1   -8   10   21 o  266.539   10.898  889.587   72.539  845.964  102.220  933.839  102.955  259.027   15.880  272.302   15.201 -13.27454 21.98283 
1 1 1   -8   10   22 o  206.996   10.040  536.457   51.897  529.776   73.181  543.217   73.608  204.912   14.393  207.521   14.291 -2.609268 20.28268 
1 1 1   -8   10   23 o  185.184   9.8967  430.686   45.600  446.930   64.690  414.643   64.289  188.136   13.867  181.105   14.332 7.031235 19.94278 
1 1 1   -8   10   24 o  511.710   19.165  3310.97  244.891  3388.59  426.123  3272.69  299.243  510.078   33.643  507.090   23.631 2.987946 41.11312 
1 1 1   -8   10   25 o  320.244   13.426  1289.37  107.367  1444.69  190.323  1216.87  130.033  336.083   22.812  310.052   16.858 26.03094 28.36546 
1 1 1   -8   10   26 o  203.682   11.984  522.877   60.685  482.574  110.553  540.258   72.601  193.083   23.407  206.676   14.152 -13.59331 27.35250 
1 1 1   -8   10   27 o  317.462   14.042  1269.41  111.319  1258.21  197.109  1274.65  134.891  312.002   25.522  317.009   17.103 -5.007416 30.72276 
1 1 1   -8   10   28 o  217.894   11.528  598.107   62.506  665.122  118.744  572.420   73.515  227.531   21.140  212.716   13.916 14.81503 25.30973 
1 1 1   -8   10   29 o  143.471   21.279  267.902   73.927   0.0000   0.0000  267.902   73.927  ?   ?   143.471   21.279 0.000000 21.27922 
1 1 1   -8   10   30 o  221.527   12.441  619.350   68.544  562.773  128.171  642.013   81.119  207.667   25.234  225.130   14.506 -17.46333 29.10660 
1 1 1   -8   10   31 o  371.922   15.643  1748.60  145.283  1724.75  258.387  1759.63  175.684  363.136   28.728  371.553   18.998 -8.417084 34.44205 
1 1 1   -8   10   32 o  169.997   12.018  365.328   50.690  272.171  102.745  395.298   58.277  141.941   29.930  176.628   13.310 -34.68729 32.75578 
1 1 1   -8   10   33 o  137.267   12.600  239.231   42.710  219.232   96.267  244.132   47.656  126.898   30.710  138.417   13.979 -11.51884 33.74218 
1 1 1   -8   10   34 o  167.359   11.937  354.293   49.562  468.372  113.005  327.123   55.149  189.070   24.511  160.400   13.906 28.66968 28.18123 
1 1 1   -8   10   35 o  190.822   16.032  464.819   75.689  364.311  130.413  515.870   92.944  162.950   33.177  200.305   18.801 -37.35564 38.13390 
1 1 1   -8   10   36 o  104.439   34.468  143.910  104.387  143.910  104.387   0.0000   0.0000  104.439   34.468  ?   ?  0.000000 34.46805 
1 1 1   -8   10   37 o  130.818   13.611  218.916   43.813  178.046  112.848  226.170   47.542  113.542   35.699  132.762   14.580 -19.21942 38.56191 
1 1 1   -8   10   38 o   49.805   16.731   29.962   24.571  -6.8002  102.780   32.191   25.305   70.212   30.742   51.250   16.973 18.96289 35.11662 
1 1 1   -8   10   39 o  144.042   12.836  265.528   45.688  242.667  124.747  269.069   49.099  128.276   36.939  144.750   13.748 -16.47440 39.41470 
1 1 1   -8   10   40 f  104.454   14.347  142.109   36.434   0.0000   0.0000  142.109   36.434  ?   ?   104.454   14.347 0.000000 14.34690 
1 1 1   -8   10   41 o   86.799   23.320  105.109   51.625  212.019  131.281   85.553   56.148  116.782   38.660   79.083   25.218 37.69825 46.15717 
1 1 1   -8   10   42 o  167.066   12.062  358.770   49.986  596.708  155.156  331.215   52.801  200.641   32.045  159.979   13.338 40.66208 34.71038 
1 1 1   -8   10   43 o  161.607   12.700  337.878   50.841  411.284  159.262  329.549   53.648  156.067   40.511  159.175   13.628 -3.107788 42.74153 
1 1 1   -8   10   44 o   60.127   16.471   49.249   25.460  143.557  151.560   46.510   25.827   98.190   39.767   58.539   16.793 39.65148 43.16736 
1 1 1   -8   10   45 o  126.446   17.006  216.014   52.337  364.203  174.508  201.368   54.862  136.271   44.546  121.064   18.754 15.20758 48.33285 
1 1 1   -8   10   46 o  167.719   13.002  368.796   54.029  435.099  199.961  363.574   56.117  139.855   47.724  166.123   13.648 -26.26826 49.63752 
1 1 1   -8   11    1 o  540.128   17.363  3659.16  234.198  3724.45  331.101  3593.78  331.312  543.732   24.385  534.019   24.844 9.713745 34.81210 
1 1 1   -8   11    2 o  130.025   9.0658  212.373   29.252  215.305   40.707  209.242   42.064  130.555   12.644  128.606   13.290 1.949234 18.34374 
1 1 1   -8   11    3 o  423.721   14.300  2248.31  151.314  2292.80  213.782  2203.66  214.199  427.289   20.035  418.847   20.479 8.442261 28.64989 
1 1 1   -8   11    4 o  357.125   17.682  1599.48  157.686  1540.92  222.773  1658.29  223.230  348.741   25.763  362.025   24.843 -13.28424 35.78950 
1 1 1   -8   11    5 o  294.876   15.738  1092.51  115.470  1101.47  163.229  1083.53  163.370  295.164   22.310  292.700   22.524 2.464233 31.70290 
1 1 1   -8   11    6 o  243.187   14.199  742.984   85.854  720.545  121.422  765.417  121.410  238.658   20.575  246.124   19.925 -7.466110 28.64119 
1 1 1   -8   11    7 o  415.531   14.002  2161.70  145.292  2133.68  205.176  2189.89  205.774  412.261   19.930  417.678   19.729 -5.417389 28.04314 
1 1 1   -8   11    8 o  116.266   9.1093  170.008   26.236  164.829   36.699  175.422   37.522  114.013   13.130  117.685   12.984 -3.671532 18.46535 
1 1 1   -8   11    9 o  691.335   21.473  6005.10  370.711  5961.09  524.143  6049.15  524.385  686.598   30.570  691.711   30.358 -5.113159 43.08299 
1 1 1   -8   11   10 o  346.994   12.358  1506.50  107.083  1582.02  151.476  1431.05  151.400  355.249   17.075  337.322   18.039 17.92697 24.83859 
1 1 1   -8   11   11 o  468.235   17.805  2749.38  208.189  2660.64  360.085  2793.95  255.158  457.415   31.720  471.523   21.670 -14.10736 38.41550 
1 1 1   -8   11   12 o  388.047   15.425  1886.35  149.468  1872.78  183.128  1913.43  258.695  386.321   18.983  388.633   26.820 -2.311401 32.85826 
1 1 1   -8   11   13 o  293.879   10.823  1080.14   79.429  1106.07  112.062  1053.95  112.600  296.764   15.172  289.618   15.627 7.145966 21.78063 
1 1 1   -8   11   14 o  437.880   14.709  2401.58  160.841  2360.83  227.263  2442.48  227.666  433.443   20.996  440.916   20.677 -7.473633 29.46855 
1 1 1   -8   11   15 o  205.643   9.7136  528.773   49.882  520.832   70.180  536.880   70.914  203.471   13.895  206.603   13.825 -3.131851 19.60105 
1 1 1   -8   11   16 o  438.198   14.677  2405.80  160.606  2386.72  227.028  2424.92  227.234  435.692   20.867  439.186   20.719 -3.494659 29.40574 
1 1 1   -8   11   17 o  205.298   9.8239  527.126   50.364  507.091   70.725  547.740   71.737  200.680   14.205  208.649   13.847 -7.968704 19.83705 
1 1 1   -8   11   18 o  285.055   15.964  1022.59  113.177  891.150  161.294  1150.07  158.847  264.526   24.703  301.487   21.235 -36.96143 32.57549 
1 1 1   -8   11   19 o  429.522   20.707  2323.97  222.105  2063.37  314.776  2582.36  313.437  401.198   31.677  450.304   28.012 -49.10669 42.28604 
1 1 1   -8   11   20 f  315.639   16.955  1255.69  133.153  1119.89  189.685  1387.62  186.957  296.134   25.911  330.648   22.782 -34.51389 34.50198 
1 1 1   -8   11   21 o  195.607   9.9206  480.165   48.300  481.749   68.026  478.555   68.592  195.439   14.032  194.763   14.201 0.6762390 19.96386 
1 1 1   -8   11   22 o  115.409   9.7930  167.949   27.957  219.137   39.563  116.893   39.512  131.646   12.172   94.907   17.309 36.73942 21.16070 
1 1 1   -8   11   23 o  350.735   12.926  1544.19  113.212  1536.96  159.900  1551.45  160.311  348.483   18.440  350.135   18.399 -1.652618 26.04953 
1 1 1   -8   11   24 o  386.815   13.769  1880.88  133.000  1925.79  187.920  1835.81  188.262  390.144   19.288  380.266   19.895 9.878082 27.70992 
1 1 1   -8   11   25 o  201.464   11.567  511.093   57.950  490.562  105.256  520.024   69.419  195.209   21.974  202.865   13.785 -7.656036 25.94018 
1 1 1   -8   11   26 o  273.490   13.152  940.768   89.825  799.534  158.959  1007.02  108.874  248.265   26.027  282.141   15.512 -33.87614 30.29924 
1 1 1   -8   11   27 o  461.175   18.126  2694.73  208.746  2588.91  364.232  2746.49  254.730  443.499   33.127  463.997   21.984 -20.49792 39.75814 
1 1 1   -8   11   28 o  261.054   12.529  857.159   81.678  878.447  148.020  847.839   97.938  261.121   22.932  258.749   15.224 2.372131 27.52592 
1 1 1   -8   11   29 o  331.397   25.596  1422.26  210.181   0.0000   0.0000  1422.26  210.181  ?   ?   331.397   25.596 0.000000 25.59603 
1 1 1   -8   11   30 o   70.562   22.009   63.393   42.988  154.946   75.659   19.747   52.239  107.359   27.948   57.790   23.367 49.56932 36.42984 
1 1 1   -8   11   31 o  253.848   12.809  813.290   80.937  800.158  150.522  818.631   95.996  248.260   24.604  254.131   15.196 -5.870300 28.91824 
1 1 1   -8   11   32 o  127.392   12.190  206.023   38.305  214.641   89.703  204.101   42.361  126.004   29.096  126.533   13.621 -0.5281754 32.12671 
1 1 1   -8   11   33 o  164.520   12.049  342.384   49.156  369.316  107.450  335.256   55.280  166.970   26.668  162.469   13.754 4.500290 30.00571 
1 1 1   -8   11   34 o  186.068   12.037  437.592   55.632  456.949  119.496  432.236   62.859  186.023   26.471  184.582   13.736 1.440338 29.82213 
1 1 1   -8   11   35 o  181.159   13.974  416.954   62.729   0.0000   0.0000  416.954   62.729  ?   ?   181.159   13.974 0.000000 13.97420 
1 1 1   -8   11   36 o  228.830   17.842  671.302  101.148  372.252  160.479  868.404  130.284  161.407   40.014  259.505   20.265 -98.09773 44.85340 
1 1 1   -8   11   37 o  211.442   13.133  567.510   69.003  461.412  146.539  597.737   78.217  182.551   33.375  216.625   14.543 -34.07396 36.40627 
1 1 1   -8   11   38 o  194.541   12.902  481.445   62.322  460.281  142.482  486.452   69.303  181.655   32.608  195.139   14.322 -13.48457 35.61457 
1 1 1   -8   11   39 o   60.290   17.241   47.963   27.263 -117.5489  111.446   58.498   28.117   58.673   27.896   66.228   16.935 -7.554893 32.63432 
1 1 1   -8   11   40 o  148.961   13.770  285.677   50.641   83.784  135.506  318.453   54.597   92.152   37.499  157.243   14.052 -65.09077 40.04559 
1 1 1   -8   11   41 o   67.271   16.920   61.033   28.396   0.0000   0.0000   61.033   28.396  ?   ?    67.271   16.920 0.000000 16.91952 
1 1 1   -8   11   42 o  100.356   22.613  140.879   55.311  183.611  137.958  132.695   60.375  108.780   39.424   96.500   24.891 12.28061 46.62445 
1 1 1   -8   11   43 o  105.797   13.909  146.915   35.855  189.819  148.231  144.249   36.953  108.498   40.594  104.586   14.542 3.911888 43.12023 
1 1 1   -8   11   44 o  115.104   13.872  174.018   39.071   70.280  156.774  180.888   40.344   88.014   38.263  117.308   14.052 -29.29359 40.76200 
1 1 1   -8   11   45 o  122.496   13.639  197.297   41.013  251.450  178.293  194.271   42.143  114.882   44.166  121.302   14.180 -6.420067 46.38635 
1 1 1   -8   11   46 o  140.674   17.178  268.660   59.091  427.188  194.901  252.612   62.010  140.960   47.121  135.275   18.870 5.684143 50.75946 
1 1 1   -8   11   47 o   55.988   17.052   43.164   25.986   3.2075  194.919   43.887   26.221   80.046   37.708   56.408   17.117 23.63819 41.41092 
1 1 1   -8   12    1 f  437.786   14.557  2401.44  159.144  2352.04  224.752  2451.12  225.376  432.467   20.811  441.537   20.440 -9.070038 29.17055 
1 1 1   -8   12    2 o  218.061   9.3500  594.544   50.914  535.407   71.095  656.803   72.947  206.296   13.881  228.696   12.825 -22.39984 18.89906 
1 1 1   -8   12    3 o  290.133   11.247  1053.10   81.487  1103.64  114.990  1002.11  115.490  296.339   15.594  282.232   16.458 14.10687 22.67228 
1 1 1   -8   12    4 o  697.981   20.958  6123.52  365.289  6366.91  516.703  5880.33  516.490  709.516   29.163  681.503   30.349 28.01227 42.08943 
1 1 1   -8   12    5 o  380.548   13.143  1812.84  124.894  1787.14  176.339  1838.71  176.917  377.342   18.714  382.769   18.509 -5.427124 26.32087 
1 1 1   -8   12    6 o  224.633   9.8430  630.942   55.215  599.399   77.538  663.392   78.644  218.310   14.302  229.772   13.770 -11.46220 19.85326 
1 1 1   -8   12    7 o  305.461   16.091  1172.63  122.308  1099.30  172.828  1246.20  173.111  294.588   23.694  314.027   22.219 -19.43814 32.48199 
1 1 1   -8   12    8 o  120.470   12.555  183.582   37.214  179.739   53.040  187.308   52.228  118.280   18.569  120.923   17.831 -2.642426 25.74390 
1 1 1   -8   12    9 o  588.261   26.352  4364.21  387.106  4559.63  548.523  4170.31  546.386  597.350   36.953  570.595   38.573 26.75531 53.41716 
1 1 1   -8   12   10 o  452.379   30.487  2600.89  342.391   0.0000   0.0000  2600.89  342.391  ?   ?   452.379   30.487 0.000000 30.48664 
1 1 1   -8   12   11 f  375.092   26.598  1783.50  247.522  1783.50  247.522   0.0000   0.0000  375.092   26.598  ?   ?  0.000000 26.59811 
1 1 1   -8   12   12 o  194.279   9.3358  471.881   45.292  471.278   63.231  472.517   64.908  193.587   13.158  193.807   13.496 -0.2199402 18.84857 
1 1 1   -8   12   13 o  292.899   11.326  1073.26   82.840  1130.72  116.834  1015.16  117.475  299.968   15.651  284.060   16.633 15.90814 22.83929 
1 1 1   -8   12   14 o  741.663   22.955  6924.98  425.144  7011.13  601.078  6838.73  601.412  743.242   32.385  733.888   32.816 9.354492 46.10572 
1 1 1   -8   12   15 o  369.453   13.120  1709.10  121.045  1717.55  170.858  1700.59  171.512  369.381   18.582  367.520   18.750 1.861145 26.39843 
1 1 1   -8   12   16 o  131.493   13.526  218.845   43.782  144.007   64.332  283.414   59.755  104.755   24.949  149.443   16.275 -44.68843 29.78851 
1 1 1   -8   12   17 o  184.497   13.677  428.828   62.564  343.329   90.521  507.026   86.570  163.497   22.791  200.186   17.493 -36.68916 28.73029 
1 1 1   -8   12   18 o  153.627   13.895  298.241   52.728  168.845   77.338  410.629   72.076  113.189   27.608  180.150   16.195 -66.96046 32.00734 
1 1 1   -8   12   19 o  459.780   21.796  2667.53  250.247  2420.94  354.456  2912.59  353.353  433.936   32.957  477.394   29.789 -43.45798 44.42430 
1 1 1   -8   12   20 f  112.018   13.730  159.726   37.603  208.745   58.775  125.756   48.928  127.365   19.066   98.043   20.637 29.32222 28.09614 
1 1 1   -8   12   21 o  314.287   11.620  1237.84   91.197  1222.02  128.669  1253.82  129.277  311.243   16.615  315.305   16.476 -4.061340 23.39888 
1 1 1   -8   12   22 o  174.426   9.8413  382.196   42.691  398.056   59.933  365.859   60.825  177.539   13.622  170.036   14.462 7.502563 19.86756 
1 1 1   -8   12   23 o  184.157   10.076  426.151   46.159  446.485   65.159  405.666   65.399  187.973   13.981  178.998   14.763 8.975601 20.33255 
1 1 1   -8   12   24 o  340.249   12.632  1454.06  107.327  1424.34  151.488  1484.02  152.080  335.226   18.164  342.281   17.854 -7.054626 25.46989 
1 1 1   -8   12   25 o  137.543   9.6241  238.243   32.848  237.744   46.122  238.758   46.793  136.804   13.684  137.066   13.861 -0.2629852 19.47819 
1 1 1   -8   12   26 o  326.475   12.278  1339.53  100.100  1297.54  141.386  1381.74  141.741  319.706   17.780  330.102   17.255 -10.39584 24.77583 
1 1 1   -8   12   27 o  349.376   15.244  1540.19  132.998  1357.93  233.452  1627.77  161.827  322.366   29.321  357.948   18.164 -35.58258 34.49080 
1 1 1   -8   12   28 o  135.540   11.844  232.624   39.687  207.940   79.054  240.941   45.889  124.862   26.190  137.675   13.522 -12.81343 29.47466 
1 1 1   -8   12   29 o  217.288   12.495  595.909   67.515  509.658  125.599  630.960   80.067  197.239   26.145  223.214   14.442 -25.97527 29.86795 
1 1 1   -8   12   30 o  225.711   22.013  657.172  122.497   0.0000   0.0000  657.172  122.497  ?   ?   225.711   22.013 0.000000 22.01324 
1 1 1   -8   12   31 o  309.323   13.390  1205.57  103.428  1349.22  188.884  1144.05  123.606  323.406   23.550  300.175   16.554 23.23087 28.78588 
1 1 1   -8   12   32 o  219.242   12.531  607.007   68.320  571.968  130.896  620.127   80.096  209.085   25.605  221.168   14.584 -12.08241 29.46712 
1 1 1   -8   12   33 o   89.559   14.699  103.876   31.734  149.304   87.483   96.993   34.053  105.510   31.094   86.129   16.432 19.38054 35.16861 
1 1 1   -8   12   34 o  199.398   12.281  502.516   60.855  568.620  129.757  483.876   68.903  208.240   25.484  195.244   14.230 12.99576 29.18823 
1 1 1   -8   12   35 o  133.615   33.077  246.273  109.777  246.273  109.777   0.0000   0.0000  133.615   33.077  ?   ?  0.000000 33.07724 
1 1 1   -8   12   36 o  466.127   23.013  2807.39  267.869  2794.18  389.572  2819.24  368.919  454.506   34.583  458.674   32.418 -4.167419 47.40172 
1 1 1   -8   12   37 o  204.389   16.093  534.727   81.472  497.431  142.969  552.662   99.145  190.938   31.052  206.668   19.439 -15.73038 36.63464 
1 1 1   -8   12   38 o  251.501   13.588  804.641   85.022  745.719  173.477  823.269   97.540  233.687   30.451  253.715   15.469 -20.02852 34.15475 
1 1 1   -8   12   39 o   67.234   17.033   60.305   28.631   46.395  113.763   61.246   29.584   82.039   33.974   67.733   17.399 14.30669 38.16971 
1 1 1   -8   12   40 o   78.060   15.972   81.054   30.085  197.880  123.610   73.698   31.018  115.647   37.474   74.135   17.103 41.51258 41.19220 
1 1 1   -8   12   41 o   96.359   14.790  121.979   34.451  117.470  127.360  122.335   35.785   96.073   37.219   96.312   15.398 -0.2385635 40.27816 
1 1 1   -8   12   42 o  121.144   24.470  206.443   71.478   0.0000   0.0000  206.443   71.478  ?   ?   121.144   24.470 0.000000 24.47001 
1 1 1   -8   12   43 o  169.317   19.072  385.254   79.235  521.744  169.770  347.243   89.591  179.337   39.018  157.910   23.430 21.42662 45.51291 
1 1 1   -8   12   44 o   93.493   14.453  115.953   32.655  219.604  161.131  111.514   33.347  112.779   42.298   91.399   15.140 21.37955 44.92646 
1 1 1   -8   12   45 o  207.930   13.653  564.128   70.497  669.601  206.790  550.257   74.989  192.355   44.004  204.600   14.777 -12.24472 46.41917 
1 1 1   -8   12   46 o   79.024   16.310   85.694   31.119   24.494  185.080   87.475   31.568   83.464   38.437   79.829   16.385 3.635529 41.78388 
1 1 1   -8   12   47 o   91.189   19.159  117.887   42.242   53.903  197.219  120.964   43.246   85.163   39.381   92.278   19.383 -7.115089 43.89328 
1 1 1   -8   13    1 o  332.217   11.980  1381.84   99.385  1361.89  140.255  1401.97  140.849  328.898   17.136  333.745   16.956 -4.846802 24.10695 
1 1 1   -8   13    2 o  468.922   15.368  2757.33  179.959  2709.47  254.132  2805.48  254.869  463.802   21.942  472.008   21.623 -8.205170 30.80600 
1 1 1   -8   13    3 o  284.737   10.971  1014.43   78.006  989.157  109.855  1040.14  110.785  280.418   15.752  287.611   15.482 -7.192871 22.08628 
1 1 1   -8   13    4 o  115.934   9.2049  169.117   26.430  140.618   36.314  201.214   38.539  104.997   14.215  126.180   12.391 -21.18237 18.85773 
1 1 1   -8   13    5 o  330.469   12.042  1366.85   99.376  1338.19  140.019  1395.93  141.064  326.128   17.254  333.142   17.013 -7.014008 24.23137 
1 1 1   -8   13    6 o  213.170   9.8131  568.261   52.238  601.786   73.452  533.953   74.306  218.802   13.509  205.935   14.543 12.86696 19.84914 
1 1 1   -8   13    7 o  333.720   11.998  1393.74   99.983  1322.74  140.960  1465.63  141.840  324.228   17.474  341.859   16.615 -17.63083 24.11246 
1 1 1   -8   13    8 o  457.463   15.009  2622.28  171.463  2719.94  242.434  2524.53  242.536  465.133   20.872  447.993   21.680 17.14066 30.09410 
1 1 1   -8   13    9 o  483.155   15.847  2926.26  191.193  2990.49  270.308  2861.95  270.467  487.503   22.204  476.824   22.715 10.67831 31.76430 
1 1 1   -8   13   10 o  682.039   21.262  5849.79  362.135  5733.49  511.741  5966.45  512.533  672.710   30.463  686.423   29.901 -13.71277 42.68530 
1 1 1   -8   13   11 o  273.069   15.281  937.409  103.783  937.918  147.485  936.909  146.069  272.176   21.884  272.062   21.680 0.1133423 30.80497 
1 1 1   -8   13   12 o  209.790   13.680  553.531   71.276  571.773  101.861  536.030   99.771  212.473   19.412  205.628   19.670 6.845444 27.63591 
1 1 1   -8   13   13 o  265.882   15.166  888.916  100.278  820.492  142.491  956.057  141.148  254.271   22.679  274.966   20.708 -20.69576 30.71104 
1 1 1   -8   13   14 o  589.973   26.625  4399.58  392.252  4382.85  555.149  4416.27  554.308  583.913   38.284  586.235   38.070 -2.322144 53.99115 
1 1 1   -8   13   15 o  316.158   16.772  1257.94  131.941  1204.61  187.878  1309.84  185.333  307.948   24.638  321.492   23.242 -13.54333 33.87016 
1 1 1   -8   13   16 o  348.739   17.552  1531.43  152.369  1619.13  216.963  1446.08  214.031  357.219   24.470  337.236   25.606 19.98233 35.41813 
1 1 1   -8   13   17 o  311.156   16.799  1219.46  130.049  1082.64  185.236  1352.45  182.626  291.373   25.722  326.641   22.527 -35.26804 34.19200 
1 1 1   -8   13   18 o  188.589   13.781  448.321   64.451  373.665   93.480  515.963   88.981  170.605   22.490  201.790   17.842 -31.18501 28.70815 
1 1 1   -8   13   19 o  188.359   13.381  447.140   62.531  481.615   91.704  417.181   85.489  194.621   19.116  180.985   19.209 13.63548 27.09966 
1 1 1   -8   13   20 o  153.290   9.5079  295.226   36.216  286.571   50.578  304.333   51.882  150.520   13.603  155.162   13.525 -4.641861 19.18250 
1 1 1   -8   13   21 o  468.102   15.721  2755.76  183.771  2710.90  259.608  2800.83  260.176  462.539   22.476  470.245   22.156 -7.706390 31.56040 
1 1 1   -8   13   22 o  175.903   9.7363  388.701   42.602  380.557   59.745  397.125   60.763  173.491   13.907  177.263   13.836 -3.772018 19.61783 
1 1 1   -8   13   23 f  155.031   10.082  302.444   38.820  342.506   54.691  261.766   55.110  164.558   13.426  143.337   15.651 21.22047 20.62045 
1 1 1   -8   13   24 o  226.927   10.336  645.650   58.574  659.242   82.588  631.893   83.087  228.386   14.557  223.499   14.974 4.886826 20.88310 
1 1 1   -8   13   25 o  224.210   9.6108  630.101   53.810  522.632   75.312  742.178   76.910  203.105   14.954  242.653   12.737 -39.54791 19.64329 
1 1 1   -8   13   26 o  123.891   10.583  193.985   32.427  188.648   45.613  199.439   46.108  121.341   15.400  124.874   15.092 -3.533257 21.56236 
1 1 1   -8   13   27 o  251.555   11.307  794.791   71.031  778.065  100.445  811.523  100.461  247.585   16.338  252.961   15.986 -5.376602 22.85776 
1 1 1   -8   13   28 o  178.975   11.944  404.436   53.077  336.954   98.121  432.350   63.107  160.039   25.400  184.746   13.778 -24.70703 28.89652 
1 1 1   -8   13   29 f   87.496   15.007   99.285   31.609  145.793   69.520   87.165   35.489  104.291   26.608   81.364   17.948 22.92669 32.09532 
1 1 1   -8   13   30 o  256.281   22.927  847.867  145.180   0.0000   0.0000  847.867  145.180  ?   ?   256.281   22.927 0.000000 22.92721 
1 1 1   -8   13   31 o  350.266   26.834  1596.53  232.926   0.0000   0.0000  1596.53  232.926  ?   ?   350.266   26.834 0.000000 26.83393 
1 1 1   -8   13   32 o  246.689   13.106  768.801   80.448  763.582  150.852  770.875   95.100  242.064   25.331  246.446   15.532 -4.382263 29.71380 
1 1 1   -8   13   33 o  197.046   11.934  490.293   58.443  574.368  121.491  464.980   66.663  210.139   23.557  191.456   14.041 18.68335 27.42464 
1 1 1   -8   13   34 o  278.046   16.326  983.102  112.861   0.0000   0.0000  983.102  112.861  ?   ?   278.046   16.326 0.000000 16.32628 
1 1 1   -8   13   35 o  176.962   13.080  397.125   57.392  368.512  123.970  404.930   64.748  164.684   31.289  178.353   14.668 -13.66901 34.55639 
1 1 1   -8   13   36 o  414.729   16.835  2187.76  174.349  2270.37  315.269  2151.36  209.260  412.749   30.810  409.472   20.465 3.277374 36.98704 
1 1 1   -8   13   37 o  122.373   16.110  193.662   48.034  279.464  115.233  175.618   52.844  141.374   33.206  115.674   18.950 25.69950 38.23268 
1 1 1   -8   13   38 o   90.310   15.563  106.733   33.831  199.792  114.585   97.847   35.410  118.669   35.733   86.022   17.087 32.64725 39.60761 
1 1 1   -8   13   39 o   66.889   17.470   59.686   29.499   83.301  117.628   58.101   30.473   90.048   35.509   66.048   17.989 24.00049 39.80582 
1 1 1   -8   13   40 f  186.654   12.663  445.213   58.674  489.599  149.600  437.144   63.784  184.033   33.798  184.501   13.947 -0.4672699 36.56264 
1 1 1   -8   13   41 o  238.040   13.484  727.536   79.824  663.469  181.791  742.839   88.847  210.982   35.783  239.809   14.910 -28.82707 38.76544 
1 1 1   -8   13   42 o  135.212   13.460  236.977   44.845  214.479  143.498  239.413   47.209  115.870   40.388  135.657   14.144 -19.78664 42.79263 
1 1 1   -8   13   43 o   86.407   26.175  107.085   61.352   0.0000   0.0000  107.085   61.352  ?   ?    86.407   26.175 0.000000 26.17541 
1 1 1   -8   13   44 o  159.830   13.397  332.203   52.976  297.719  169.340  335.944   55.776  127.911   43.914  160.411   14.066 -32.50040 46.11156 
1 1 1   -8   13   45 o  138.157   14.181  250.936   48.231   15.584  174.983  270.287   50.175   83.264   37.979  143.422   14.196 -60.15843 40.54551 
1 1 1   -8   13   46 o   83.231   15.806   94.276   31.651  280.271  187.942   88.847   32.109  117.024   45.247   80.456   16.534 36.56772 48.17318 
1 1 1   -8   13   47 o  105.192   14.911  148.957   38.073   23.656  201.765  153.583   38.769   83.432   39.003  106.820   14.943 -23.38743 41.76766 
1 1 1   -8   14    1 o  298.124   16.092  1119.57  119.359  1093.71  168.176  1145.82  169.428  293.270   23.152  300.306   22.762 -7.036011 32.46741 
1 1 1   -8   14    2 o  434.686   20.723  2381.25  224.951  2510.10  317.972  2252.15  318.285  443.482   28.869  419.412   30.601 24.06982 42.06943 
1 1 1   -8   14    3 o  324.265   11.751  1316.59   95.157  1271.49  134.092  1362.34  135.059  317.732   16.961  329.408   16.419 -11.67590 23.60644 
1 1 1   -8   14    4 o  124.310   9.2052  194.322   28.372  179.535   38.944  211.049   41.419  118.967   13.339  129.148   13.020 -10.18061 18.64002 
1 1 1   -8   14    5 o  478.364   15.742  2870.62  188.053  2864.24  265.625  2877.03  266.271  476.708   22.313  477.771   22.318 -1.062500 31.55913 
1 1 1   -8   14    6 o  244.775   9.9185  749.447   60.627  687.505   84.811  814.176   86.698  233.743   14.603  254.553   13.689 -20.80949 20.01609 
1 1 1   -8   14    7 o  521.857   16.872  3417.86  219.874  3434.86  310.715  3400.82  311.185  521.821   23.845  519.194   24.001 2.626831 33.83243 
1 1 1   -8   14    8 o  539.377   17.328  3652.00  233.394  3733.11  329.961  3570.79  330.177  543.934   24.292  531.845   24.861 12.08887 34.75853 
1 1 1   -8   14    9 o  190.019   11.155  453.377   52.699  538.086   91.768  411.696   64.372  206.229   18.000  180.685   14.386 25.54396 23.04215 
1 1 1   -8   14   10 o  518.128   19.366  3374.39  250.575  3417.51  306.936  3288.23  433.877  520.585   23.611  506.723   34.494 13.86270 41.80026 
1 1 1   -8   14   11 o  520.084   16.728  3394.36  217.258  3311.32  306.836  3477.84  307.663  512.324   23.983  525.165   23.460 -12.84082 33.54963 
1 1 1   -8   14   12 o  620.050   19.257  4833.15  298.165  4769.50  421.438  4896.95  421.901  613.795   27.495  622.045   27.161 -8.250183 38.64828 
1 1 1   -8   14   13 o  467.013   15.314  2735.33  178.597  2656.26  252.110  2814.98  253.041  459.134   21.989  472.760   21.434 -13.62555 30.70688 
1 1 1   -8   14   14 o  141.199   9.6922  250.567   33.968  254.611   47.252  246.242   48.864  141.910   13.496  139.438   14.233 2.472046 19.61432 
1 1 1   -8   14   15 o  308.147   11.576  1188.89   89.076  1196.75  125.398  1180.88  126.554  308.314   16.346  306.216   16.612 2.098419 23.30539 
1 1 1   -8   14   16 o  352.762   12.570  1559.14  110.734  1600.46  155.991  1517.16  157.220  356.829   17.506  346.856   18.215 9.972198 25.26361 
1 1 1   -8   14   17 o  560.076   17.998  3946.21  251.725  4145.18  356.080  3747.43  355.906  572.059   24.926  543.508   26.223 28.55188 36.17944 
1 1 1   -8   14   18 f  320.588   11.451  1287.47   91.672  1237.75  128.999  1338.19  130.298  313.353   16.544  326.336   15.989 -12.98254 23.00780 
1 1 1   -8   14   19 o  186.553   9.5494  436.740   44.338  440.043   62.419  433.376   62.991  186.796   13.472  185.335   13.708 1.461426 19.21934 
1 1 1   -8   14   20 o  268.743   11.016  904.980   73.929  925.642  104.193  884.031  104.912  270.896   15.466  264.631   15.950 6.264801 22.21758 
1 1 1   -8   14   21 o  368.535   13.305  1705.44  122.447  1681.58  172.743  1729.54  173.593  364.390   19.050  369.611   18.871 -5.221313 26.81421 
1 1 1   -8   14   22 o  412.868   14.012  2142.99  144.463  2042.49  203.724  2244.64  204.883  401.041   20.410  421.206   19.479 -20.16501 28.21320 
1 1 1   -8   14   23 o  318.637   12.299  1274.99   97.864  1277.90  138.009  1272.05  138.796  317.613   17.467  316.846   17.611 0.7677307 24.80475 
1 1 1   -8   14   24 o  261.088   10.415  854.915   67.905  827.590   95.416  882.957   96.660  255.846   15.000  264.356   14.700 -8.510406 21.00244 
1 1 1   -8   14   25 o  337.572   12.388  1432.37  104.427  1388.36  147.310  1476.82  148.058  330.686   17.906  341.231   17.434 -10.54474 24.99073 
1 1 1   -8   14   26 o  346.571   13.200  1511.66  114.238  1544.95  161.404  1478.24  161.710  348.536   18.612  340.749   19.081 7.787415 26.65499 
1 1 1   -8   14   27 o  258.990   11.209  842.482   72.496  827.646  102.287  857.456  102.765  255.406   16.120  260.036   15.902 -4.629593 22.64372 
1 1 1   -8   14   28 o  212.637   10.566  567.615   56.103  571.508   79.347  563.724   79.336  212.257   15.068  210.776   15.174 1.481171 21.38464 
1 1 1   -8   14   29 o  109.605   13.434  153.549   36.000  100.050   74.234  169.999   41.165   88.890   29.054  115.175   14.644 -26.28545 32.53545 
1 1 1   -8   14   30 o  109.457   15.860  154.518   42.086   0.0000   0.0000  154.518   42.086  ?   ?   109.457   15.860 0.000000 15.85952 
1 1 1   -8   14   31 o  219.064   22.510  620.794  121.387   0.0000   0.0000  620.794  121.387  ?   ?   219.064   22.510 0.000000 22.50972 
1 1 1   -8   14   32 o  331.020   15.003  1384.48  124.021  1281.41  222.679  1430.83  149.325  312.366   28.874  335.226   17.903 -22.86014 33.97372 
1 1 1   -8   14   33 o  299.961   13.252  1134.28   99.267  1233.44  185.366  1094.41  117.543  308.494   24.258  293.555   16.096 14.93903 29.11205 
1 1 1   -8   14   34 o  260.811   26.345  890.870  169.230  890.870  169.230   0.0000   0.0000  260.811   26.345  ?   ?  0.000000 26.34483 
1 1 1   -8   14   35 o  174.846   13.221  387.899   57.298  331.985  124.811  402.830   64.497  155.364   33.179  177.879   14.650 -22.51566 36.26904 
1 1 1   -8   14   36 o  197.188   12.604  492.564   61.740  569.849  135.899  472.465   69.305  207.221   26.896  192.652   14.512 14.56889 30.56189 
1 1 1   -8   14   37 o  242.674   13.602  747.779   82.094  713.831  166.120  758.750   94.431  230.138   29.591  243.822   15.591 -13.68352 33.44724 
1 1 1   -8   14   38 o  213.752   16.009  586.274   84.830  651.946  153.516  557.407  101.780  219.291   28.724  206.867   19.950 12.42432 34.97266 
1 1 1   -8   14   39 o  142.106   12.953  258.452   45.460  205.535  127.297  266.187   48.669  118.971   37.974  144.028   13.697 -25.05722 40.36861 
1 1 1   -8   14   40 o  139.811   13.532  251.541   46.655  289.510  136.462  246.516   49.647  138.097   38.255  138.053   14.624 0.4360962E-01 40.95499 
1 1 1   -8   14   41 o  179.126   12.888  411.824   57.266  527.616  155.631  393.692   61.587  189.074   34.222  174.592   14.250 14.48288 37.07010 
1 1 1   -8   14   42 o   59.911   17.355   48.093   27.463  188.190  141.270   42.591   27.998  110.280   39.906   56.948   17.762 53.33123 43.68022 
1 1 1   -8   14   43 o  165.470   13.335  354.694   54.633  373.104  170.374  352.584   57.679  146.211   43.469  164.593   14.171 -18.38239 45.72080 
1 1 1   -8   14   44 o   51.313   22.307   1.0559   53.277   0.0000   0.0000   1.0559   53.277  ?   ?    51.313   22.307 0.000000 22.30686 
1 1 1   -8   14   45 o  158.585   13.440  328.196   52.722  319.872  189.634  328.893   54.886  127.453   46.217  158.458   14.015 -31.00498 48.29569 
1 1 1   -8   14   46 o  156.753   13.718  322.749   53.157  393.781  208.467  317.809   54.974  134.086   48.483  155.185   14.348 -21.09911 50.56190 
1 1 1   -8   14   47 o  124.022   14.262  204.841   43.366  218.947  215.053  204.243   44.276  103.931   44.998  123.646   14.623 -19.71429 47.31464 
1 1 1   -8   15    1 o  287.861   10.852  1038.07   78.010  951.896  109.744  1126.09  110.911  274.651   16.071  299.385   14.835 -24.73453 21.87157 
1 1 1   -8   15    2 f  698.804   21.875  6174.36  381.728  6176.72  539.626  6172.00  540.064  694.512   31.114  694.225   31.153 0.2867432 44.02948 
1 1 1   -8   15    3 o  287.462   15.932  1041.43  113.922  1118.53  160.617  963.375  161.609  296.771   21.826  274.854   23.780 21.91672 32.27802 
1 1 1   -8   15    4 o  189.822   13.843  454.316   65.169  542.552   91.139  362.003   93.221  206.929   17.811  167.753   22.848 39.17592 28.96959 
1 1 1   -8   15    5 o  271.683   10.802  924.055   73.286  896.194  102.941  952.689  104.358  266.736   15.522  275.082   15.252 -8.346893 21.76089 
1 1 1   -8   15    6 o  321.306   11.911  1293.04   95.571  1310.40  134.788  1275.48  135.532  322.533   16.793  318.139   17.123 4.393555 23.98323 
1 1 1   -8   15    7 o  835.870   25.587  8846.08  534.079  8406.40  754.521  9287.58  756.084  808.517   37.371  850.995   35.579 -42.47784 51.59870 
1 1 1   -8   15    8 o  248.812   14.744  779.201   91.203   0.0000   0.0000  779.201   91.203  ?   ?   248.812   14.744 0.000000 14.74442 
1 1 1   -8   15    9 o  535.161   24.424  3620.53  326.404  3620.53  326.404   0.0000   0.0000  535.161   24.424  ?   ?  0.000000 24.42418 
1 1 1   -8   15   10 o  632.414   19.882  5034.95  313.991  5133.05  443.932  4936.74  444.169  636.008   27.951  623.519   28.526 12.48828 39.93790 
1 1 1   -8   15   11 o  353.702   12.353  1567.08  109.108  1491.10  153.594  1644.48  155.022  343.950   17.945  361.792   17.159 -17.84216 24.82799 
1 1 1   -8   15   12 o  433.629   14.419  2358.25  156.137  2268.33  220.229  2449.11  221.398  424.268   20.787  440.981   20.105 -16.71310 28.91869 
1 1 1   -8   15   13 f  197.017   9.7771  485.668   48.102  501.482   67.445  469.296   68.623  199.544   13.616  192.909   14.348 6.634995 19.78046 
1 1 1   -8   15   14 o  225.395   9.9418  635.748   55.958  628.222   78.304  643.602   79.996  223.364   14.111  226.075   14.243 -2.710861 20.04928 
1 1 1   -8   15   15 o  204.229   9.8744  521.982   50.359  510.873   70.276  533.708   72.200  201.321   14.067  205.783   14.136 -4.461685 19.94253 
1 1 1   -8   15   16 o  380.517   13.229  1815.76  125.709  1778.19  177.317  1853.73  178.245  375.231   18.985  383.662   18.605 -8.430817 26.58135 
1 1 1   -8   15   17 o  253.830   10.572  806.833   67.012  821.612   93.846  791.456   95.722  255.367   14.779  250.527   15.375 4.839966 21.32648 
1 1 1   -8   15   18 o  199.151   9.7495  496.526   48.486  526.665   67.980  465.320   69.174  204.434   13.390  191.939   14.540 12.49506 19.76645 
1 1 1   -8   15   19 o  421.698   14.389  2234.20  151.523  2282.97  213.966  2185.14  214.606  425.009   20.160  415.673   20.675 9.336060 28.87695 
1 1 1   -8   15   20 o  212.087   10.139  563.510   53.699  558.427   75.402  568.740   76.493  210.282   14.447  212.212   14.522 -1.929825 20.48394 
1 1 1   -8   15   21 o  536.175   17.413  3627.79  233.147  3706.72  329.721  3548.88  329.717  539.200   24.488  527.347   25.038 11.85254 35.02182 
1 1 1   -8   15   22 o  376.533   13.501  1782.47  126.946  1738.94  179.012  1826.51  180.051  370.057   19.440  379.883   18.980 -9.826538 27.16867 
1 1 1   -8   15   23 o  429.555   14.909  2324.74  159.924  2325.21  225.827  2324.27  226.507  427.660   21.146  427.548   21.215 0.1116333 29.95387 
1 1 1   -8   15   24 o  466.084   15.735  2741.46  183.138  2726.89  258.634  2756.12  259.359  462.331   22.402  464.828   22.344 -2.497070 31.63997 
1 1 1   -8   15   25 o  232.792   10.904  680.302   63.388  713.041   89.272  647.011   90.020  237.269   15.146  225.765   16.072 11.50456 22.08436 
1 1 1   -8   15   26 o  238.828   11.078  716.302   66.068  733.440   93.019  698.855   93.856  240.510   15.571  234.617   16.117 5.892532 22.41066 
1 1 1   -8   15   27 o   84.907   11.106   92.066   22.984   77.055   31.130  110.055   34.079   76.587   16.744   92.168   15.346 -15.58042 22.71257 
1 1 1   -8   15   28 o  253.936   11.036  810.012   69.983  838.964   98.813  780.875   99.128  257.245   15.454  247.987   16.094 9.258484 22.31250 
1 1 1   -8   15   29 o  278.251   11.537  973.237   80.164  933.214  113.086  1013.66  113.656  270.958   16.796  282.616   16.172 -11.65826 23.31563 
1 1 1   -8   15   30 o  168.624   12.076  359.480   50.513  370.181   99.348  355.750   58.661  168.051   24.386  167.352   14.170 0.6985626 28.20399 
1 1 1   -8   15   31 o  225.450   22.910  658.192  127.186   0.0000   0.0000  658.192  127.186  ?   ?   225.450   22.910 0.000000 22.90953 
1 1 1   -8   15   32 o  106.530   27.491  152.891   73.626   0.0000   0.0000  152.891   73.626  ?   ?   106.530   27.491 0.000000 27.49145 
1 1 1   -8   15   33 o  203.996   13.937  527.579   70.571  357.693  136.531  589.514   82.437  161.148   34.935  215.333   15.433 -54.18475 38.19217 
1 1 1   -8   15   34 o  227.989   17.437  664.107   98.522  598.697  145.531  719.449  133.862  212.570   28.105  235.410   23.067 -22.84029 36.35927 
1 1 1   -8   15   35 o  127.957   13.830  209.172   43.488  190.474  108.402  212.758   47.476  117.777   34.585  128.799   15.044 -11.02224 37.71507 
1 1 1   -8   15   36 o  227.317   13.178  654.899   74.484  765.243  153.266  620.781   85.225  240.955   25.877  220.646   15.567 20.30951 30.19881 
1 1 1   -8   15   37 o  354.123   15.375  1594.15  135.962  1608.32  252.796  1588.39  161.273  346.528   29.494  351.677   18.428 -5.148865 34.77764 
1 1 1   -8   15   38 o  141.643   13.665  256.884   47.733  340.069  127.483  243.321   51.478  154.855   33.907  137.393   15.262 17.46193 37.18302 
1 1 1   -8   15   39 o  145.824   16.350  275.920   58.512  311.355  133.284  267.460   65.123  145.503   36.690  142.720   18.724 2.783539 41.19145 
1 1 1   -8   15   40 o  234.238   12.781  700.454   74.479  989.818  173.025  634.645   82.515  269.875   25.996  222.020   14.970 47.85414 29.99814 
1 1 1   -8   15   41 o  244.659   13.838  769.604   84.196  705.613  186.857  785.906   94.313  217.835   35.579  246.400   15.405 -28.56537 38.77085 
1 1 1   -8   15   42 o   46.748   17.036   24.104   25.811 -42.3546  137.209   26.542   26.280   72.544   33.292   48.136   17.238 24.40775 37.48997 
1 1 1   -8   15   43 o  105.864   14.753  147.748   37.942  244.539  156.488  141.703   39.109  120.088   42.158  103.306   15.650 16.78123 44.96923 
1 1 1   -8   15   44 o  111.320   15.478  164.488   41.862  161.633  165.758  164.683   43.264  103.161   41.655  111.145   16.053 -7.984619 44.64126 
1 1 1   -8   15   45 o  212.420   24.153  638.240  125.842   0.0000   0.0000  638.240  125.842  ?   ?   212.420   24.153 0.000000 24.15302 
1 1 1   -8   15   46 o  165.916   13.511  360.695   55.491  743.886  213.046  332.807   57.475  201.613   43.586  158.671   14.672 42.94208 45.98921 
1 1 1   -8   15   47 o  102.863   15.796  143.506   39.277  145.529  215.497  143.437   39.946   96.251   43.190  102.681   16.109 -6.429901 46.09596 
1 1 1   -8   16    1 o  698.090   21.807  6185.46  380.154  6035.58  537.253  6335.75  537.985  683.580   31.473  700.913   30.737 -17.33276 43.99192 
1 1 1   -8   16    2 o  361.612   12.619  1641.15  113.949  1572.74  160.648  1710.41  161.654  352.535   18.311  368.275   17.578 -15.73911 25.38273 
1 1 1   -8   16    3 o  276.056   10.310  954.604   71.074  823.178   99.676  1090.55  101.374  255.333   15.709  294.684   13.776 -39.35112 20.89366 
1 1 1   -8   16    4 o  227.095   9.7619  645.702   55.360  579.692   77.433  714.719   79.177  214.330   14.554  238.269   13.361 -23.93977 19.75669 
1 1 1   -8   16    5 o  425.613   20.538  2288.11  218.284  2483.16  308.366  2092.21  309.036  440.311   28.193  402.965   30.947 37.34543 41.86379 
1 1 1   -8   16    6 o   88.955   16.550  102.669   35.411  111.921   47.754   91.366   52.780   92.322   21.165   83.888   23.989 8.433525 31.99114 
1 1 1   -8   16    7 o  480.228   15.870  2898.19  190.321  2939.24  268.941  2857.00  269.369  482.094   22.340  475.204   22.700 6.890167 31.84849 
1 1 1   -8   16    8 o  404.095   13.730  2048.57  138.552  1960.28  195.302  2138.02  196.589  393.773   19.926  411.911   19.112 -18.13776 27.61019 
1 1 1   -8   16    9 o  409.720   13.550  2105.60  138.640  1986.84  195.204  2226.48  196.942  396.995   19.690  420.440   18.758 -23.44592 27.19495 
1 1 1   -8   16   10 o  145.563   9.2398  266.181   33.413  250.393   45.945  283.904   48.678  140.693   13.233  149.904   13.136 -9.210098 18.64588 
1 1 1   -8   16   11 o   78.119   11.783   78.156   22.271   70.975   30.389   86.487   32.733   73.682   16.879   81.486   16.648 -7.804443 23.70775 
1 1 1   -8   16   12 o  304.523   11.305  1161.59   85.971  1131.69  120.755  1192.33  122.424  299.643   16.198  307.624   15.992 -7.980896 22.76223 
1 1 1   -8   16   13 o  308.832   11.736  1195.08   90.507  1192.67  127.430  1197.53  128.570  307.531   16.655  308.137   16.772 -0.6062012 23.63686 
1 1 1   -8   16   14 o  569.677   18.147  4087.32  258.159  4061.22  364.654  4113.54  365.531  565.361   25.829  569.031   25.724 -3.670044 36.45340 
1 1 1   -8   16   15 o  233.116   10.390  680.529   60.485  688.154   85.132  672.756   85.953  233.625   14.667  230.938   14.985 2.687897 20.96831 
1 1 1   -8   16   16 o  374.287   13.026  1757.65  121.754  1687.30  171.216  1829.62  173.173  365.289   18.834  380.998   18.201 -15.70895 26.19171 
1 1 1   -8   16   17 o  245.310   10.499  753.855   64.317  754.668   90.153  753.012   91.786  244.601   14.829  244.282   15.121 0.3188934 21.17901 
1 1 1   -8   16   18 o  419.073   14.336  2207.15  150.029  2314.30  211.798  2099.23  212.549  427.859   19.823  406.670   21.002 21.18951 28.87939 
1 1 1   -8   16   19 o  219.988   10.208  606.388   56.080  697.451   79.038  514.067   79.583  235.236   13.512  201.426   15.952 33.81023 20.90553 
1 1 1   -8   16   20 o  170.900   9.7660  367.117   41.505  363.915   57.889  370.503   59.541  169.589   13.789  171.083   14.061 -1.493866 19.69371 
1 1 1   -8   16   21 o  437.264   15.034  2408.20  164.158  2561.89  232.075  2254.30  232.234  449.263   20.686  420.362   22.202 28.90149 30.34550 
1 1 1   -8   16   22 o  411.238   14.177  2129.08  145.586  2189.52  205.662  2068.38  206.119  415.405   19.826  403.018   20.549 12.38690 28.55374 
1 1 1   -8   16   23 o  469.400   15.960  2781.67  187.074  2800.09  264.310  2763.18  264.815  468.372   22.598  465.186   22.796 3.186462 32.09904 
1 1 1   -8   16   24 o  232.939   10.961  681.212   63.757  736.816   89.768  624.613   90.569  241.239   14.975  221.703   16.477 19.53618 22.26529 
1 1 1   -8   16   25 o  420.921   14.719  2234.89  154.717  2239.04  218.386  2230.72  219.224  419.168   20.863  417.807   21.080 1.361328 29.65869 
1 1 1   -8   16   26 o  414.107   14.848  2164.13  153.546  2197.54  216.896  2130.57  217.399  414.589   21.019  408.028   21.411 6.561188 30.00355 
1 1 1   -8   16   27 o  233.459   10.137  684.012   59.099  671.797   82.915  696.625   84.259  230.313   14.491  234.553   14.456 -4.240723 20.46819 
1 1 1   -8   16   28 o  186.394   9.9940  437.236   46.349  448.975   65.202  425.246   65.897  188.190   13.974  183.007   14.539 5.183212 20.16596 
1 1 1   -8   16   29 o  183.631   11.438  425.482   52.189  485.852   73.871  365.321   73.743  195.517   15.251  168.795   17.761 26.72234 23.41037 
1 1 1   -8   16   30 o  188.812   9.9229  448.633   46.622  392.370   65.372  506.874   66.510  175.609   15.053  200.111   13.387 -24.50101 20.14417 
1 1 1   -8   16   31 o  113.550   27.319  173.749   76.523   0.0000   0.0000  173.749   76.523  ?   ?   113.550   27.319 0.000000 27.31916 
1 1 1   -8   16   32 o  236.644   23.653  727.095  137.904   0.0000   0.0000  727.095  137.904  ?   ?   236.644   23.653 0.000000 23.65309 
1 1 1   -8   16   33 o  188.376   26.945  469.330  123.143  469.330  123.143   0.0000   0.0000  188.376   26.945  ?   ?  0.000000 26.94545 
1 1 1   -8   16   34 o  174.407   13.659  386.261   59.014  325.135  119.336  406.048   67.897  154.259   32.027  178.453   15.387 -24.19333 35.53133 
1 1 1   -8   16   35 o   75.964   18.456   76.476   34.665   19.507   93.927   85.459   37.298   72.907   30.583   80.263   18.918 -7.355293 35.96165 
1 1 1   -8   16   36 f  220.892   13.949  619.835   76.546  501.362  151.361  660.547   88.729  191.186   32.890  227.544   15.712 -36.35893 36.44974 
1 1 1   -8   16   37 o  197.325   18.431  503.142   89.768  528.899  141.088  485.624  116.359  197.429   29.524  191.204   24.966 6.225159 38.66457 
1 1 1   -8   16   38 o  380.460   15.739  1848.07  149.530  2107.33  277.910  1742.44  177.396  395.860   28.300  366.855   19.434 29.00519 34.32996 
1 1 1   -8   16   39 o  197.924   16.884  507.106   82.654  423.682  152.974  541.502   98.226  169.845   37.105  203.360   19.585 -33.51505 41.95664 
1 1 1   -8   16   40 o  191.412   16.174  475.099   76.587  568.697  153.319  443.979   88.407  199.861   31.784  183.415   19.606 16.44560 37.34429 
1 1 1   -8   16   41 o  109.820   15.195  158.120   40.553   83.878  136.031  165.362   42.485   90.991   37.361  112.214   15.582 -21.22334 40.47980 
1 1 1   -8   16   42 o  152.225   13.898  300.522   52.247  212.451  153.885  311.997   55.547  115.209   41.656  154.860   14.534 -39.65165 44.11833 
1 1 1   -8   16   43 o   96.667   16.188  124.915   37.695  198.369  154.458  120.263   38.870  110.777   41.440   94.464   17.108 16.31296 44.83200 
1 1 1   -8   16   44 o  145.893   14.075  278.169   50.641  454.785  180.323  263.047   52.765  159.821   43.856  141.324   15.190 18.49686 46.41182 
1 1 1   -8   16   45 o  167.189   14.019  365.811   57.989  565.486  191.789  345.720   60.836  177.387   43.604  161.839   15.232 15.54803 46.18820 
1 1 1   -8   16   46 f  117.124   27.624  208.306   79.485   0.0000   0.0000  208.306   79.485  ?   ?   117.124   27.624 0.000000 27.62437 
1 1 1   -8   16   47 o   60.305   18.528   50.334   30.596   85.826  212.097   49.580   30.919   90.441   41.464   59.934   18.661 30.50676 45.46932 
1 1 1   -8   17    1 o  327.192   11.754  1344.62   96.035  1296.18  135.420  1393.64  136.211  319.773   17.020  332.169   16.421 -12.39661 23.65008 
1 1 1   -8   17    2 o  185.155   8.3799  429.250   38.746  287.573   53.664  583.527   55.999  150.457   14.461  215.715   10.396 -65.25873 17.81001 
1 1 1   -8   17    3 o  341.943   12.306  1468.22  105.078  1423.50  147.998  1513.68  149.216  335.222   17.743  346.251   17.257 -11.02899 24.75120 
1 1 1   -8   17    4 o  425.327   14.236  2274.98  151.207  2190.96  213.339  2359.79  214.344  415.795   20.547  431.720   19.882 -15.92502 28.59116 
1 1 1   -8   17    5 o  385.716   13.231  1868.60  127.446  1830.66  179.742  1906.96  180.734  380.615   18.911  388.535   18.628 -7.920288 26.54457 
1 1 1   -8   17    6 o  342.335   12.399  1470.56  105.997  1410.98  149.199  1531.28  150.616  333.954   17.957  348.512   17.306 -14.55847 24.93893 
1 1 1   -8   17    7 o  219.864   11.781  607.909   64.446  613.348  111.844  605.206   78.852  219.241   20.673  218.970   14.502 0.2709656 25.25246 
1 1 1   -8   17    8 o  286.424   22.689  1046.60  160.957  1046.60  160.957   0.0000   0.0000  286.424   22.689  ?   ?  0.000000 22.68921 
1 1 1   -8   17    9 o  212.140   14.447  567.992   76.078  626.456  105.085  503.599  110.285  221.980   19.145  198.074   22.707 23.90681 29.70037 
1 1 1   -8   17   10 o  146.516   9.3989  269.835   34.207  266.949   47.230  273.019   49.609  145.259   13.164  146.837   13.687 -1.578552 18.98984 
1 1 1   -8   17   11 o  220.904   10.118  611.145   55.813  665.828   78.214  554.410   79.668  229.886   13.686  209.440   15.339 20.44533 20.55762 
1 1 1   -8   17   12 o  307.608   11.639  1186.23   89.402  1214.36  125.837  1157.55  127.038  310.216   16.301  302.738   16.871 7.478363 23.45979 
1 1 1   -8   17   13 o  424.628   14.162  2265.00  150.167  2213.45  211.577  2317.33  213.170  418.450   20.248  428.238   19.934 -9.788025 28.41340 
1 1 1   -8   17   14 o  296.864   11.417  1104.80   84.635  1108.14  118.995  1101.39  120.400  296.288   16.144  295.333   16.390 0.9551697 23.00538 
1 1 1   -8   17   15 o  132.479   9.6926  220.960   31.843  213.914   43.657  228.971   46.547  129.798   13.675  134.271   14.092 -4.473053 19.63653 
1 1 1   -8   17   16 o  435.047   14.665  2379.97  159.322  2353.88  224.680  2406.35  225.954  431.097   20.871  435.909   20.757 -4.811646 29.43572 
1 1 1   -8   17   17 o  321.206   11.767  1294.39   94.387  1221.35  132.185  1370.37  134.820  310.733   17.101  329.763   16.372 -19.02994 23.67456 
1 1 1   -8   17   18 o  341.100   12.529  1461.02  106.721  1436.67  150.170  1485.88  151.695  336.787   17.920  342.556   17.795 -5.768921 25.25435 
1 1 1   -8   17   19 o  550.544   17.826  3830.54  245.073  4075.30  346.503  3585.56  346.669  564.813   24.567  528.946   26.245 35.86761 35.94933 
1 1 1   -8   17   20 o  284.672   11.386  1017.14   80.940  1147.87  114.189  885.121  114.746  301.424   15.220  264.064   17.500 37.36032 23.19257 
1 1 1   -8   17   21 o  373.475   13.354  1754.81  124.540  1860.73  175.749  1647.97  176.504  383.297   18.361  359.819   19.719 23.47864 26.94384 
1 1 1   -8   17   22 o  406.882   14.144  2085.56  143.714  2266.69  203.364  1904.86  203.122  422.582   19.271  386.208   21.141 36.37399 28.60678 
1 1 1   -8   17   23 o  250.096   10.949  785.330   68.379  802.631   96.118  767.601   97.300  251.706   15.365  246.001   15.924 5.705139 22.12864 
1 1 1   -8   17   24 o  439.207   14.956  2434.49  164.032  2543.74  231.723  2324.77  232.230  446.749   20.771  426.086   21.900 20.66302 30.18324 
1 1 1   -8   17   25 o  145.076   9.7178  265.183   35.002  244.777   48.565  287.240   50.492  138.618   14.232  150.393   13.591 -11.77568 19.67920 
1 1 1   -8   17   26 o  234.140   10.976  688.657   64.174  698.283   90.107  678.749   91.418  234.582   15.469  231.150   15.935 3.431686 22.20823 
1 1 1   -8   17   27 o  171.323   10.509  369.922   44.745  353.473   62.458  387.265   64.132  166.607   15.179  174.516   14.857 -7.909607 21.23999 
1 1 1   -8   17   28 o  125.692   10.270  199.646   31.954  180.814   44.082  220.498   46.385  118.687   15.224  131.427   14.367 -12.73943 20.93320 
1 1 1   -8   17   29 f  293.005   11.304  1079.18   82.711  1064.49  116.506  1094.10  117.441  289.557   16.177  293.597   16.079 -4.040497 22.80900 
1 1 1   -8   17   30 o  141.927   9.8183  253.994   34.584  190.228   47.721  324.531   50.191  121.573   16.116  160.046   12.662 -38.47290 20.49491 
1 1 1   -8   17   31 o  128.384   13.704  210.191   43.257  155.212   50.540  360.773   83.642  108.865   19.297  166.917   20.497 -58.05159 28.15180 
1 1 1   -8   17   32 o  107.517   29.186  156.299   80.370   0.0000   0.0000  156.299   80.370  ?   ?   107.517   29.186 0.000000 29.18566 
1 1 1   -8   17   33 o   88.209   25.318  103.297   58.688  160.984   89.875   60.412   77.491  109.016   31.343   77.517   29.278 31.49898 42.89042 
1 1 1   -8   17   34 o  146.518   13.965  273.589   50.476  152.075  106.497  308.796   57.324  107.167   34.788  155.521   14.944 -48.35464 37.86212 
1 1 1   -8   17   35 o  123.215   15.017  195.064   45.251  206.388  105.209  192.494   50.124  122.089   33.497  121.934   16.917 0.1552505 37.52686 
1 1 1   -8   17   36 o  284.889   14.916  1032.31  105.747  926.327  198.733  1074.18  124.897  262.031   30.970  289.698   17.344 -27.66711 35.49634 
1 1 1   -8   17   37 o  248.428   14.663  786.719   90.559  647.204  174.147  838.430  106.021  216.234   33.321  255.725   16.694 -39.49138 37.26926 
1 1 1   -8   17   38 o  127.298   15.032  209.294   46.862  292.949  120.063  194.258   50.899  143.036   34.096  121.954   17.190 21.08161 38.18401 
1 1 1   -8   17   39 o  151.439   14.229  295.032   53.181  344.541  131.259  285.309   58.169  153.770   34.973  148.346   15.953 5.424011 38.43929 
1 1 1   -8   17   40 o  154.938   16.816  313.567   64.017  402.740  137.739  288.998   72.300  165.563   34.437  147.268   20.191 18.29559 39.92019 
1 1 1   -8   17   41 f   65.099   25.795   38.843   62.351  141.679  132.411   9.5430   70.678  101.262   38.266   60.815   26.057 40.44735 46.29591 
1 1 1   -8   17   42 o  137.633   13.844  246.097   46.934  356.969  150.834  234.211   49.386  148.025   39.900  133.769   15.045 14.25645 42.64199 
1 1 1   -8   17   43 o  143.969   14.277  270.571   50.652  141.192  160.971  284.789   53.363  100.712   40.914  147.557   14.677 -46.84502 43.46693 
1 1 1   -8   17   44 o  112.585   15.642  168.452   42.789  265.420  167.938  161.720   44.250  121.656   43.574  109.845   16.654 11.81013 46.64777 
1 1 1   -8   17   45 f  120.485   15.622  193.338   45.897  171.181  182.718  194.831   47.418  103.368   42.952  120.713   16.134 -17.34457 45.88190 
1 1 1   -8   17   46 o   87.296   17.693  105.250   37.250  103.543  206.487  105.307   37.871   94.227   42.280   87.194   17.990 7.033623 45.94775 
1 1 1   -8   17   47 o  118.357   28.128  218.048   81.909   0.0000   0.0000  218.048   81.909  ?   ?   118.357   28.128 0.000000 28.12797 
1 1 1   -8   18    1 o  461.707   15.279  2694.27  176.156  2678.48  248.917  2710.12  249.329  457.498   21.788  460.241   21.694 -2.742615 30.74631 
1 1 1   -8   18    2 o  109.067   12.434  151.552   33.260   69.265   45.896  242.555   48.266   73.530   22.710  137.985   14.211 -64.45539 26.78926 
1 1 1   -8   18    3 o  321.383   11.627  1297.71   93.316  1257.91  131.403  1338.19  132.541  314.932   16.769  324.966   16.386 -10.03345 23.44536 
1 1 1   -8   18    4 o  358.878   12.754  1619.54  114.298  1596.59  161.191  1642.76  162.095  354.561   18.267  359.719   18.103 -5.157593 25.71796 
1 1 1   -8   18    5 o  383.860   13.298  1853.31  127.475  1826.34  179.775  1880.58  180.782  379.628   18.964  385.276   18.790 -5.648132 26.69630 
1 1 1   -8   18    6 o  157.841   14.108  315.966   55.021   0.0000   0.0000  315.966   55.021  ?   ?   157.841   14.108 0.000000 14.10795 
1 1 1   -8   18    7 o  217.084   13.875  595.095   74.824  595.095   74.824   0.0000   0.0000  217.084   13.875  ?   ?  0.000000 13.87519 
1 1 1   -8   18    8 o  323.939   12.186  1317.45   98.577  1362.05  138.932  1272.23  139.892  328.098   17.015  316.880   17.750 11.21866 24.58832 
1 1 1   -8   18    9 o  464.347   15.566  2715.89  180.501  2789.67  254.824  2641.59  255.711  468.661   21.774  455.804   22.466 12.85654 31.28578 
1 1 1   -8   18   10 o  457.225   21.621  2653.94  246.863  2553.43  347.466  2756.38  350.793  443.367   31.590  461.253   30.629 -17.88565 44.00083 
1 1 1   -8   18   11 o  546.794   25.105  3816.77  342.801  3657.64  483.263  3977.93  486.341  527.500   36.920  551.216   35.521 -23.71613 51.23285 
1 1 1   -8   18   12 o  197.246   13.847  491.446   67.771  433.023   91.784  561.480  100.492  183.807   20.337  209.799   19.401 -25.99146 28.10690 
1 1 1   -8   18   13 o  397.009   13.505  1980.90  133.889  1945.29  188.619  2017.07  190.084  392.105   19.263  399.328   19.062 -7.222809 27.10049 
1 1 1   -8   18   14 o  129.252   9.7181  210.483   31.137  195.837   42.708  227.101   45.493  124.017   14.038  133.699   13.826 -9.682709 19.70285 
1 1 1   -8   18   15 o  211.597   9.7882  561.039   51.720  558.066   72.100  564.190   74.234  210.220   13.811  211.316   14.149 -1.095871 19.77254 
1 1 1   -8   18   16 o  158.023   9.4463  313.971   37.106  285.115   50.942  346.584   54.157  149.949   13.758  165.534   13.211 -15.58505 19.07399 
1 1 1   -8   18   17 o  236.021   10.207  698.433   60.156  684.737   84.014  712.843   86.175  232.762   14.527  237.494   14.601 -4.731964 20.59655 
1 1 1   -8   18   18 o  203.392   9.9532  518.643   50.553  504.616   70.362  533.609   72.680  199.710   14.201  205.383   14.259 -5.673447 20.12467 
1 1 1   -8   18   19 o  375.935   13.277  1778.01  124.645  1747.49  175.440  1809.11  177.122  370.767   19.013  377.788   18.775 -7.021515 26.72018 
1 1 1   -8   18   20 f  310.955   12.141  1215.29   94.274  1333.68  132.838  1095.16  133.813  324.459   16.449  293.403   18.356 31.05545 24.64749 
1 1 1   -8   18   21 o  155.145   9.6881  303.010   37.346  324.786   52.010  279.829   53.660  160.118   13.123  148.258   14.687 11.86058 19.69563 
1 1 1   -8   18   22 o  241.919   10.731  734.789   64.825  806.482   90.939  660.723   92.432  252.473   14.485  228.014   16.342 24.45914 21.83707 
1 1 1   -8   18   23 o  336.365   12.631  1423.82  106.095  1547.72  149.620  1298.51  150.466  349.545   17.141  319.127   18.966 30.41843 25.56429 
1 1 1   -8   18   24 o  200.518   10.203  505.954   50.921  482.171   71.044  531.081   73.023  194.915   14.704  204.685   14.378 -9.769501 20.56525 
1 1 1   -8   18   25 f  338.500   12.766  1442.67  107.913  1520.46  152.099  1363.82  153.130  345.761   17.675  327.012   18.831 18.74945 25.82677 
1 1 1   -8   18   26 o  259.757   11.039  847.841   71.605  947.526  101.002  747.109  101.530  273.515   14.843  242.250   16.889 31.26494 22.48461 
1 1 1   -8   18   27 o  106.991   10.986  145.326   28.934  152.430   39.712  137.287   42.244  108.856   15.008  102.763   17.060 6.092766 22.72209 
1 1 1   -8   18   28 o  209.205   10.922  551.437   56.861  556.985   79.570  545.647   81.285  209.354   15.327  207.077   15.839 2.276566 22.04063 
1 1 1   -8   18   29 o  111.924   10.950  158.900   30.212  137.362   41.266  183.782   44.354  102.871   16.631  119.658   15.186 -16.78638 22.52117 
1 1 1   -8   18   30 o  110.051   10.799  153.621   29.295  140.003   39.882  169.578   43.171  104.039   15.852  114.799   15.452 -10.76036 22.13682 
1 1 1   -8   18   31 o  312.835   17.466  1246.52  135.900  1274.44  184.490  1213.41  200.948  313.757   23.722  304.688   26.679 9.068512 35.70038 
1 1 1   -8   18   32 o  125.727   17.731  204.670   54.124  204.670   54.124   0.0000   0.0000  125.727   17.731  ?   ?  0.000000 17.73133 
1 1 1   -8   18   33 o  385.067   20.490  1902.78  196.321  1883.25  278.965  1921.94  276.333  377.458   29.839  381.773   29.207 -4.315399 41.75413 
1 1 1   -8   18   34 o  146.556   14.287  274.101   51.622  280.402  111.397  272.378   58.254  142.790   32.030  145.623   16.299 -2.832275 35.93841 
1 1 1   -8   18   35 o  298.543   14.670  1129.15  109.369  1060.53  200.048  1158.41  130.618  282.382   28.771  301.014   17.452 -18.63168 33.65009 
1 1 1   -8   18   36 o  157.795   14.585  318.418   56.820  219.331  120.209  346.927   64.478  124.687   36.364  164.408   15.904 -39.72123 39.68987 
1 1 1   -8   18   37 o  256.882   15.389  843.453   98.263  510.142  183.974  976.493  116.231  186.665   40.622  275.796   16.959 -89.13087 44.01971 
1 1 1   -8   18   38 o   94.671   17.376  118.534   39.565  162.948  114.292  112.487   42.172  108.158   36.084   91.732   19.034 16.42657 40.79652 
1 1 1   -8   18   39 o  160.427   14.123  330.925   56.001  401.870  136.951  316.680   61.366  166.650   34.059  156.292   15.947 10.35886 37.60686 
1 1 1   -8   18   40 o  119.534   15.248  186.451   44.478  179.169  126.874  187.471   47.492  110.349   38.004  119.492   16.344 -9.143021 41.36924 
1 1 1   -8   18   41 f  102.923   19.385  143.479   47.994   28.084  131.971  161.066   51.522   80.908   35.140  109.095   19.634 -28.18650 40.25314 
1 1 1   -8   18   42 o   78.174   18.627   83.669   35.845  181.621  139.052   76.697   37.099  108.256   39.527   74.658   19.636 33.59774 44.13620 
1 1 1   -8   18   43 o   79.624   18.514   87.116   36.116   46.945  147.842   89.665   37.244   84.776   37.001   80.701   18.826 4.074936 41.51521 
1 1 1   -8   18   44 o   79.545   27.786   87.996   67.936   45.322  161.616   97.155   74.872   85.846   38.029   82.935   29.158 2.911438 47.92105 
1 1 1   -8   18   45 o  122.719   26.277  221.765   78.098  250.429  185.642  215.601   86.087  115.362   44.867  118.852   29.213 -3.489510 53.53881 
1 1 1   -8   18   46 o   86.344   18.303  103.707   38.240  224.199  198.777   99.076   38.968  108.226   44.871   84.051   19.011 24.17515 48.73172 
1 1 1   -8   18   47 o   73.391   19.356   76.684   35.982   0.0000   0.0000   76.684   35.982  ?   ?    73.391   19.356 0.000000 19.35559 
1 1 1   -8   19    1 o  221.938   9.8136  618.689   54.389  579.032   76.572  659.072   77.269  213.498   14.447  228.044   13.631 -14.54611 19.86270 
1 1 1   -8   19    2 o  141.552   9.1008  252.425   31.999  236.945   44.625  268.808   45.910  136.428   13.266  145.488   12.766 -9.060745 18.41081 
1 1 1   -8   19    3 o  321.547   11.730  1300.87   94.186  1211.26  132.568  1392.21  133.840  308.443   17.281  331.509   16.167 -23.06610 23.66452 
1 1 1   -8   19    4 o  261.272   14.591  864.540   94.820  723.873  133.344  1008.42  134.861  236.515   22.862  280.789   19.351 -44.27390 29.95252 
1 1 1   -8   19    5 o  452.279   15.166  2583.79  171.292  2583.61  241.962  2583.97  242.527  449.637   21.549  449.643   21.599 -0.6744385E-02 30.51081 
1 1 1   -8   19    6 o  222.183   9.8969  619.296   54.911  582.719   76.570  658.026   78.790  214.493   14.379  228.091   13.899 -13.59793 19.99834 
1 1 1   -8   19    7 o  300.583   11.579  1135.17   86.914  1181.75  121.904  1087.00  123.952  305.413   16.040  292.604   17.038 12.80875 23.39989 
1 1 1   -8   19    8 o  211.305   9.9842  560.009   52.684  545.966   73.376  574.952   75.690  207.685   14.234  213.137   14.304 -5.452225 20.17935 
1 1 1   -8   19    9 o  290.754   11.358  1061.54   82.469  1059.51  115.833  1063.62  117.441  289.218   16.102  289.730   16.298 -0.5120850 22.91088 
1 1 1   -8   19   10 o  275.197   10.878  950.442   74.754  936.546  104.551  964.975  106.924  272.048   15.453  276.131   15.570 -4.083313 21.93702 
1 1 1   -8   19   11 o  255.033   10.412  815.878   66.310  747.033   92.652  888.172   94.943  242.909   15.353  265.155   14.393 -22.24644 21.04454 
1 1 1   -8   19   12 o  302.336   11.528  1147.77   87.036  1200.91  122.331  1093.29  123.858  308.063   15.957  293.641   16.963 14.42267 23.28879 
1 1 1   -8   19   13 o  359.165   18.401  1638.07  164.488  1622.98  230.038  1653.87  235.293  354.500   26.171  357.711   26.530 -3.211731 37.26552 
1 1 1   -8   19   14 o  237.236   15.012  712.298   88.478  722.662  121.133  700.445  129.543  237.565   20.623  233.305   22.515 4.259644 30.53256 
1 1 1   -8   19   15 o  255.473   15.342  826.166   97.421  820.451  133.938  832.586  141.961  252.968   21.403  254.474   22.574 -1.506516 31.10759 
1 1 1   -8   19   16 o  329.885   12.314  1367.96  101.438  1434.48  142.986  1300.56  143.930  336.354   17.079  319.927   18.090 16.42676 24.87862 
1 1 1   -8   19   17 o  463.036   15.456  2706.18  178.712  2671.16  252.192  2741.51  253.285  457.472   22.076  463.546   21.881 -6.073914 31.08241 
1 1 1   -8   19   18 o  217.325   10.281  592.630   55.795  611.099   77.711  572.979   80.157  219.742   14.238  212.547   15.202 7.195755 20.82893 
1 1 1   -8   19   19 o  218.719   10.341  600.371   56.480  637.849   78.769  560.713   81.027  224.516   14.121  210.141   15.551 14.37572 21.00604 
1 1 1   -8   19   20 o  268.469   11.411  905.710   76.504  964.253  107.730  846.148  108.663  275.794   15.707  257.966   16.963 17.82791 23.11831 
1 1 1   -8   19   21 o  191.436   10.246  461.297   48.804  490.695   67.870  429.821   70.228  196.808   13.899  183.810   15.443 12.99821 20.77671 
1 1 1   -8   19   22 o  109.022   10.567  150.633   28.409  186.182   38.876  109.896   41.616  120.893   13.086   91.371   18.864 29.52180 22.95856 
1 1 1   -8   19   23 o  153.889   9.8715  298.397   37.735  303.350   52.205  292.977   54.608  154.531   13.669  151.663   14.599 2.868103 19.99947 
1 1 1   -8   19   24 o  131.816   10.073  219.368   32.906  242.497   45.075  192.974   48.151  138.106   13.232  122.465   16.138 15.64166 20.86907 
1 1 1   -8   19   25 o  163.560   9.8356  336.952   39.986  339.285   55.075  334.351   58.147  163.483   13.614  162.098   14.519 1.384415 19.90328 
1 1 1   -8   19   26 o  305.177   12.129  1172.16   92.433  1223.05  130.213  1120.46  131.232  310.146   16.876  296.511   17.806 13.63443 24.53285 
1 1 1   -8   19   27 o  297.466   12.369  1114.10   91.880  1156.81  129.180  1070.37  130.708  301.470   17.231  289.642   18.163 11.82788 25.03613 
1 1 1   -8   19   28 o  122.828   10.513  190.884   31.936  192.887   43.478  188.537   47.062  122.768   14.459  121.033   15.960 1.734100 21.53610 
1 1 1   -8   19   29 o  117.852   10.818  175.992   31.483  143.330   42.952  213.913   46.281  105.036   16.953  129.335   14.584 -24.29816 22.36297 
1 1 1   -8   19   30 o  168.002   14.831  359.470   61.582   0.0000   0.0000  359.470   61.582  ?   ?   168.002   14.831 0.000000 14.83114 
1 1 1   -8   19   31 o  261.789   16.744  872.979  108.889  945.075  143.498  775.117  167.186  270.771   21.397  242.248   28.162 28.52306 35.36868 
1 1 1   -8   19   32 o  336.801   19.464  1452.84  163.002  1691.04  223.253  1180.90  238.547  360.611   24.945  296.741   32.737 63.86960 41.15758 
1 1 1   -8   19   33 o  472.435   20.404  2858.81  240.714  3358.03  294.543  1854.85  417.697  510.205   23.118  359.036   47.774 151.1684 53.07337 
1 1 1   -8   19   34 o  158.259   13.524  318.709   52.934  323.306  108.474  317.273   60.645  154.463   29.192  157.407   15.635 -2.943604 33.11542 
1 1 1   -8   19   35 o  498.290   20.194  3190.58  251.276  3370.85  441.896  3104.44  305.468  496.276   35.899  487.132   25.197 9.143951 43.85975 
1 1 1   -8   19   36 o  185.301   14.352  438.222   65.896  290.287  132.418  486.914   75.970  142.323   36.937  194.968   15.738 -52.64478 40.15014 
1 1 1   -8   19   37 o  151.034   15.454  293.785   57.466  172.309  127.068  325.018   64.431  111.749   38.044  158.605   16.510 -46.85583 41.47224 
1 1 1   -8   19   38 o  186.699   13.896  446.174   64.321  293.198  134.799  491.272   73.191  140.689   37.634  195.527   15.107 -54.83760 40.55290 
1 1 1   -8   19   39 o  137.768   15.064  245.965   50.980   56.123  122.503  285.729   56.065   84.971   35.227  148.501   15.340 -63.53003 38.42172 
1 1 1   -8   19   40 o  153.796   14.400  306.029   54.659  297.578  134.810  307.692   59.794  138.819   37.848  153.676   15.807 -14.85771 41.01609 
1 1 1   -8   19   41 o  172.187   17.592  391.165   74.581  258.602  147.586  436.627   86.429  126.165   40.953  180.974   19.429 -54.80887 45.32760 
1 1 1   -8   19   42 o  252.250   18.426  844.144  115.267  777.799  202.093  876.135  140.331  223.023   37.626  253.527   22.396 -30.50464 43.78691 
1 1 1   -8   19   43 o  108.867   16.456  158.309   43.341   51.799  147.951  168.308   45.330   85.241   37.115  112.213   16.684 -26.97138 40.69236 
1 1 1   -8   19   44 o   85.060   18.616   99.832   38.444   44.247  158.127  103.324   39.633   84.946   37.624   86.464   18.885 -1.517159 42.09756 
1 1 1   -8   19   45 o   62.639   19.923   53.368   35.063   45.959  171.539   53.691   35.819   85.795   38.513   62.866   20.152 22.92871 43.46671 
1 1 1   -8   19   46 o  124.794   15.795  208.930   48.120  245.172  193.817  206.549   49.675  110.945   44.957  123.696   16.493 -12.75070 47.88675 
1 1 1   -8   19   47 o   50.484   18.961   28.969   32.399 -66.5447  199.680   31.552   32.834   76.443   36.617   51.716   19.153 24.72710 41.32372 
1 1 1   -8   20    1 o  365.694   12.836  1689.20  117.222  1592.91  165.544  1786.02  166.010  352.303   18.886  374.063   17.772 -21.75940 25.93287 
1 1 1   -8   20    2 o  217.982   9.8229  597.166   53.470  570.162   75.230  624.735   76.012  211.763   14.310  221.848   13.789 -10.08444 19.87259 
1 1 1   -8   20    3 o  243.463   10.319  745.221   62.734  728.726   88.269  762.056   89.177  239.438   14.836  244.926   14.647 -5.488022 20.84824 
1 1 1   -8   20    4 o  128.720   9.3239  209.071   29.768  205.768   41.269  212.653   42.979  127.024   13.203  129.087   13.534 -2.063599 18.90753 
1 1 1   -8   20    5 o  360.385   15.120  1643.84  136.068  1752.41  236.746  1590.28  166.275  366.457   26.040  352.635   18.952 13.82202 32.20649 
1 1 1   -8   20    6 o  251.830   14.359  803.743   89.926  677.848  125.655  935.919  128.751  228.763   22.279  270.291   19.200 -41.52792 29.41052 
1 1 1   -8   20    7 o  331.700   16.916  1399.08  139.656  1252.04  196.681  1548.61  198.337  310.105   25.628  346.389   23.061 -36.28403 34.47595 
1 1 1   -8   20    8 o  455.774   15.284  2626.39  173.959  2580.54  245.159  2672.88  246.880  448.861   21.872  456.945   21.636 -8.083984 30.76497 
1 1 1   -8   20    9 o  317.735   11.940  1269.97   94.739  1228.31  133.130  1312.71  134.849  310.780   17.222  321.432   16.859 -10.65170 24.09981 
1 1 1   -8   20   10 o  366.815   13.109  1694.88  120.076  1748.37  169.244  1640.67  170.387  371.030   18.266  358.663   19.093 12.36652 26.42328 
1 1 1   -8   20   11 o  337.774   12.414  1435.67  104.707  1457.44  147.158  1413.34  149.017  338.615   17.463  333.264   17.972 5.350708 25.05887 
1 1 1   -8   20   12 o  288.461   11.274  1045.58   81.213  1054.56  113.945  1036.32  115.782  288.376   15.884  285.750   16.293 2.626190 22.75466 
1 1 1   -8   20   13 o  306.495   11.652  1180.89   89.182  1175.64  125.138  1186.30  127.130  304.346   16.527  305.671   16.718 -1.324646 23.50856 
1 1 1   -8   20   14 o  264.191   10.796  876.565   71.222  871.620   99.453  881.771  102.045  262.260   15.252  263.707   15.565 -1.447449 21.79164 
1 1 1   -8   20   15 o  160.403   9.6727  323.921   38.563  320.142   52.470  328.360   56.869  158.868   13.349  160.723   14.319 -1.854553 19.57673 
1 1 1   -8   20   16 o  124.705   14.780  198.979   45.132  187.408   57.508  217.532   72.823  119.809   19.921  128.321   23.595 -8.511780 30.88021 
1 1 1   -8   20   17 o  343.587   18.398  1503.68  157.279  1625.33  219.233  1374.67  225.763  354.385   24.932  324.192   28.167 30.19370 37.61608 
1 1 1   -8   20   18 o  204.594   14.771  531.232   74.959  574.123  100.551  477.576  112.462  211.581   19.241  191.345   24.069 20.23640 30.81460 
1 1 1   -8   20   19 o  309.519   14.028  1208.61  108.426  1328.01  185.298  1146.44  133.705  320.796   23.290  299.971   17.931 20.82480 29.39288 
1 1 1   -8   20   20 o   70.839   13.358   65.284   22.763   40.857   30.426   96.336   34.305   57.470   18.589   85.802   16.611 -28.33245 24.92907 
1 1 1   -8   20   21 o  247.407   10.699  768.990   66.103  763.912   92.166  774.371   94.861  245.392   15.114  246.983   15.458 -1.590958 21.61921 
1 1 1   -8   20   22 f  227.742   10.415  651.435   59.230  652.599   82.688  650.208   84.883  226.832   14.676  226.309   15.107 0.5232697 21.06209 
1 1 1   -8   20   23 o  315.402   12.452  1252.70   98.072  1323.62  137.886  1180.10  139.518  322.539   17.181  304.059   18.462 18.48001 25.22006 
1 1 1   -8   20   24 o  195.974   10.569  483.890   51.530  513.236   71.525  452.219   74.304  201.105   14.336  188.338   15.949 12.76741 21.44500 
1 1 1   -8   20   25 o  201.045   10.383  509.053   51.949  516.054   72.258  501.564   74.738  201.623   14.447  198.586   15.186 3.036926 20.96055 
1 1 1   -8   20   26 o  152.616   10.062  293.731   38.131  303.855   52.304  282.246   55.708  154.597   13.690  148.634   15.224 5.962585 20.47372 
1 1 1   -8   20   27 o  207.150   10.747  540.713   55.402  595.334   77.142  482.531   79.617  216.640   14.340  194.408   16.558 22.23209 21.90435 
1 1 1   -8   20   28 o  244.754   11.325  753.448   69.215  745.556   97.000  761.635   98.795  242.050   16.140  244.622   16.266 -2.572418 22.91470 
1 1 1   -8   20   29 o  259.909   13.693  854.893   88.561  966.962  147.418  791.609  110.779  273.779   21.742  248.876   17.945 24.90240 28.19089 
1 1 1   -8   20   30 o  190.165   15.733  461.089   74.041  539.576   94.084  333.395  120.005  205.020   18.579  156.355   31.818 48.66405 36.84452 
1 1 1   -8   20   31 o  191.003   16.314  466.023   77.066  582.981   97.814  274.585  125.141  213.119   18.565  140.400   35.633 72.71849 40.17878 
1 1 1   -8   20   32 o  321.057   20.713  1326.33  165.178  1940.07  227.773  645.539  239.893  386.844   23.693  210.262   46.883 176.5820 52.52987 
1 1 1   -8   20   33 o  340.471   16.413  1472.74  139.544  1765.09  169.592  859.881  245.550  371.974   18.257  246.816   41.299 125.1580 45.15438 
1 1 1   -8   20   34 o  176.671   11.167  394.623   49.013  417.773   68.297  370.039   70.380  180.848   15.266  169.707   16.829 11.14096 22.72141 
1 1 1   -8   20   35 o  283.422   15.085  1023.03  106.378  1174.55  198.651  962.115  125.961  297.542   27.031  273.455   18.556 24.08621 32.78672 
1 1 1   -8   20   36 o  319.144   16.420  1304.07  130.415  1122.20  234.151  1385.86  157.027  285.086   33.531  327.502   19.285 -42.41602 38.68172 
1 1 1   -8   20   37 o   73.592   19.699   72.574   36.919   82.360   98.950   70.991   39.792   86.476   32.983   72.920   20.821 13.55604 39.00541 
1 1 1   -8   20   38 o  186.358   14.187  445.561   65.525  582.176  138.549  406.200   74.368  206.145   27.607  176.835   17.052 29.30962 32.44920 
1 1 1   -8   20   39 o   83.175   18.959   93.555   38.502  101.565  114.420   92.532   40.886   91.993   35.378   82.478   20.047 9.514130 40.66262 
1 1 1   -8   20   40 o  177.735   14.807  409.246   65.120  393.058  149.216  413.054   72.375  159.295   38.036  177.806   16.488 -18.51044 41.45594 
1 1 1   -8   20   41 o   91.191   17.994  112.485   39.522  151.304  125.596  108.218   41.637  101.757   37.504   88.962   19.298 12.79517 42.17717 
1 1 1   -8   20   42 o  208.796   17.151  575.710   88.638  620.530  170.833  559.199  103.686  200.646   35.388  203.275   20.716 -2.628830 41.00591 
1 1 1   -8   20   43 o  128.163   15.987  217.829   50.054  169.129  149.991  223.932   53.098  104.065   40.369  129.586   16.804 -25.52100 43.72706 
1 1 1   -8   20   44 o   82.102   19.749   94.156   39.995   42.236  156.677   97.775   41.366   84.162   37.355   83.570   20.073 0.5919266 42.40710 
1 1 1   -8   20   45 o   87.194   19.069  106.032   40.365  113.822  166.440  105.545   41.607   93.317   39.986   86.738   19.663 6.579086 44.55857 
1 1 1   -8   20   46 o   81.325   19.880   93.942   40.035  326.890  196.100   83.811   40.896  123.071   46.554   76.499   20.842 46.57230 51.00633 
1 1 1   -8   20   47 f  177.985   15.126  423.296   66.594  417.464  224.533  423.858   69.731  128.762   49.548  177.503   15.900 -48.74158 52.03661 
1 1 1   -8   21    1 o  188.607   14.267  453.651   66.701  459.479   92.842  447.434   95.890  187.928   20.095  185.033   21.132 2.895096 29.16074 
1 1 1   -8   21    2 o  155.510   9.2377  304.946   35.712  335.749   50.776  274.791   50.238  162.540   12.608  146.663   13.882 15.87674 18.75339 
1 1 1   -8   21    3 o  351.887   12.508  1563.68  109.910  1431.62  154.958  1697.38  155.920  333.925   18.658  364.835   17.114 -30.91025 25.31799 
1 1 1   -8   21    4 o  471.632   22.704  2878.17  267.393   0.0000   0.0000  2878.17  267.393  ?   ?   471.632   22.704 0.000000 22.70367 
1 1 1   -8   21    5 o  323.832   16.841  1338.06  135.718  1338.06  135.718   0.0000   0.0000  323.832   16.841  ?   ?  0.000000 16.84105 
1 1 1   -8   21    6 f  143.254   9.3004  258.763   33.090  240.960   45.884  278.057   47.767  137.447   13.544  147.839   13.073 -10.39195 18.82434 
1 1 1   -8   21    7 o  227.996   10.124  653.309   57.638  615.815   80.345  693.064   82.732  220.091   14.703  233.667   14.246 -13.57599 20.47309 
1 1 1   -8   21    8 o  261.328   14.881  867.143   96.707  806.233  136.402  928.704  137.129  249.439   22.128  268.466   20.612 -19.02753 30.24043 
1 1 1   -8   21    9 o  253.337   14.602  814.317   91.987  707.471  129.594  922.815  130.591  233.488   22.505  268.064   19.645 -34.57607 29.87340 
1 1 1   -8   21   10 o  206.032   10.071  533.221   51.815  550.624   72.000  514.523   74.627  208.351   13.918  201.128   14.966 7.223770 20.43755 
1 1 1   -8   21   11 o  461.370   15.625  2695.76  180.024  2757.70  254.025  2633.26  255.162  463.474   21.948  452.534   22.580 10.94019 31.48907 
1 1 1   -8   21   12 o  177.723   9.5317  397.564   42.148  349.773   57.822  451.746   61.567  165.845   14.095  188.829   13.138 -22.98395 19.26894 
1 1 1   -8   21   13 o  298.901   11.359  1123.75   84.786  1092.84  118.762  1155.89  121.082  293.199   16.285  301.612   16.135 -8.413055 22.92400 
1 1 1   -8   21   14 o  187.717   9.6887  443.485   45.262  389.256   61.888  505.851   66.368  174.991   14.287  199.831   13.377 -24.84052 19.57213 
1 1 1   -8   21   15 f  382.990   13.527  1850.46  129.370  1884.39  182.028  1815.83  183.901  384.588   18.954  376.787   19.613 7.800598 27.27458 
1 1 1   -8   21   16 o  392.249   13.801  1941.82  135.184  1942.43  190.197  1941.20  192.177  389.739   19.605  389.512   19.823 0.2266235 27.88025 
1 1 1   -8   21   17 o  468.833   15.760  2783.16  184.516  2790.91  260.096  2775.31  261.801  466.225   22.340  464.797   22.556 1.428589 31.74662 
1 1 1   -8   21   18 o  290.800   11.317  1063.56   82.180  1050.62  114.814  1077.16  117.678  287.547   16.054  291.104   16.253 -3.557495 22.84468 
1 1 1   -8   21   19 o  338.846   14.799  1451.51  125.225  1537.20  151.838  1269.26  221.430  347.413   17.559  310.374   28.902 37.03897 33.81733 
1 1 1   -8   21   20 o   87.992   18.127  101.957   38.504  124.949   45.776   46.339   71.196   97.336   19.512   71.942   27.840 25.39385 33.99659 
1 1 1   -8   21   21 o  253.834   15.564  818.634   98.180  806.073  132.084  834.142  146.768  249.979   21.364  253.509   23.450 -3.529999 31.72246 
1 1 1   -8   21   22 o  304.096   17.023  1177.45  128.748  1181.55  175.855  1172.71  189.011  302.007   23.503  299.930   25.477 2.077728 34.66203 
1 1 1   -8   21   23 o  277.806   17.552  984.536  121.135  1245.89  166.053  687.239  177.103  311.050   21.510  226.010   32.298 85.03983 38.80534 
1 1 1   -8   21   24 o  345.888   19.875  1532.92  170.949  2012.63  237.848  1020.29  245.870  394.085   24.287  273.290   36.977 120.7950 44.23966 
1 1 1   -8   21   25 o  246.405   17.099  774.556  104.561  1020.92  141.495  478.167  155.195  281.915   20.233  186.860   34.531 95.05479 40.02240 
1 1 1   -8   21   26 o  184.230   15.210  432.328   69.350  467.596   87.862  374.048  112.946  190.719   18.688  167.315   28.024 23.40460 33.68354 
1 1 1   -8   21   27 o  113.952   16.673  168.077   46.042  212.201   54.220   54.003   87.180  128.121   17.397   78.496   30.686 49.62481 35.27420 
1 1 1   -8   21   28 o  294.763   17.834  1109.15  130.652  1238.35  176.017  950.632  194.972  309.349   22.949  267.634   29.672 41.71527 37.51132 
1 1 1   -8   21   29 o  216.928   25.589  618.063  135.951   0.0000   0.0000  618.063  135.951  ?   ?   216.928   25.589 0.000000 25.58919 
1 1 1   -8   21   30 o  403.217   28.912  2143.52  289.184  2143.52  289.184   0.0000   0.0000  403.217   28.912  ?   ?  0.000000 28.91202 
1 1 1   -8   21   31 o  172.263   14.715  378.186   62.693  348.890   75.218  444.849  113.463  164.383   18.654  183.524   25.442 -19.14044 31.54799 
1 1 1   -8   21   32 o  226.225   14.162  649.801   79.604  772.835   94.465  348.424  147.847  246.420   15.429  156.919   38.110 89.50079 41.11441 
1 1 1   -8   21   33 o  149.775   11.482  284.249   42.618  340.428   58.670  221.490   62.011  163.317   14.538  130.115   19.702 33.20244 24.48466 
1 1 1   -8   21   34 o  235.141   12.021  699.528   70.350  818.645   99.443  580.186   99.537  253.255   15.803  211.957   19.007 41.29820 24.71874 
1 1 1   -8   21   35 o  212.533   11.058  571.119   58.485  551.013   81.345  592.635   84.147  207.396   15.826  215.146   15.772 -7.750381 22.34339 
1 1 1   -8   21   36 o  372.244   17.149  1776.78  159.408  1949.18  284.797  1698.13  192.364  378.494   30.388  360.694   21.453 17.79938 37.19787 
1 1 1   -8   21   37 o   56.325   19.696   37.332   34.141   13.118  100.462   40.494   36.301   72.361   31.037   58.359   20.315 14.00254 37.09476 
1 1 1   -8   21   38 o  158.197   14.990  323.315   58.513  233.177  132.568  345.124   65.208  124.447   38.622  163.029   16.233 -38.58247 41.89513 
1 1 1   -8   21   39 o   79.911   19.283   86.798   38.039  126.758  109.859   81.354   40.547   96.706   35.161   77.198   20.636 19.50858 40.76913 
1 1 1   -8   21   40 o  107.889   17.060  154.852   44.433  147.538  121.738  155.976   47.726  101.365   36.989  107.778   18.393 -6.413628 41.30923 
1 1 1   -8   21   41 o  186.196   14.478  450.423   66.789  507.403  151.591  436.698   74.399  182.685   34.494  182.259   16.526 0.4265289 38.24820 
1 1 1   -8   21   42 o  161.277   18.098  347.597   71.628  222.603  152.946  382.714   81.068  115.192   41.547  168.351   19.653 -53.15899 45.96094 
1 1 1   -8   21   43 o  160.488   18.569  346.844   73.044  220.813  165.678  377.252   81.381  113.139   42.792  166.535   19.967 -53.39597 47.22141 
1 1 1   -8   21   44 o  175.384   15.675  406.741   67.927  450.837  177.338  399.159   73.535  157.116   43.641  172.710   17.282 -15.59418 46.93814 
1 1 1   -8   21   45 f   89.745   19.446  112.844   42.323  177.912  167.391  108.401   43.744  102.258   41.652   87.504   20.396 14.75390 46.37775 
1 1 1   -8   21   46 o  106.597   18.308  157.323   46.979  406.059  190.537  141.222   48.476  137.594   46.588   99.883   20.131 37.71110 50.75109 
1 1 1   -8   22    1 o  114.112   9.7494  165.069   27.515  143.106   40.125  184.563   37.803  104.852   15.816  120.092   12.803 -15.24070 20.34880 
1 1 1   -8   22    2 o  159.488   14.278  325.378   56.263  305.459   77.158  347.996   82.220  152.459   20.810  162.939   20.672 -10.48050 29.33234 
1 1 1   -8   22    3 o  135.645   22.441  244.493   73.357   0.0000   0.0000  244.493   73.357  ?   ?   135.645   22.441 0.000000 22.44111 
1 1 1   -8   22    4 o  261.197   12.486  862.156   81.440  864.886   98.304  856.182  145.412  260.449   15.180  255.747   23.015 4.702240 27.57084 
1 1 1   -8   22    5 o  192.333   9.8092  466.413   46.956  454.552   65.658  478.831   67.179  188.910   14.018  193.929   13.966 -5.019653 19.78755 
1 1 1   -8   22    6 o  360.834   12.911  1645.55  116.341  1611.00  164.054  1680.50  165.013  354.282   18.608  362.015   18.313 -7.733826 26.10808 
1 1 1   -8   22    7 o  271.736   11.095  930.064   75.288  936.830  105.748  923.109  107.214  271.119   15.686  268.997   16.034 2.121857 22.43064 
1 1 1   -8   22    8 o  200.799   9.6335  506.685   48.306  473.193   66.985  542.974   69.727  192.876   14.003  206.785   13.578 -13.90904 19.50525 
1 1 1   -8   22    9 o  387.077   13.494  1893.90  130.434  1894.30  183.483  1893.50  185.456  384.767   19.096  384.089   19.398 0.6779175 27.22064 
1 1 1   -8   22   10 o  131.544   12.563  220.244   40.766  131.225   56.544  316.597   58.827   98.857   23.288  157.344   15.160 -58.48611 27.78756 
1 1 1   -8   22   11 o  287.656   15.737  1052.86  112.617  975.389  158.831  1131.18  159.701  273.720   23.464  295.714   21.780 -21.99457 32.01405 
1 1 1   -8   22   12 o  131.987   9.8082  220.041   32.096  217.424   43.295  223.234   47.824  130.530   13.476  132.003   14.761 -1.473328 19.98739 
1 1 1   -8   22   13 o  215.617   10.127  584.256   54.526  594.054   75.578  573.620   78.743  216.329   14.067  212.336   14.946 3.992966 20.52430 
1 1 1   -8   22   14 o  140.351   9.7421  248.587   33.933  252.392   46.078  244.078   50.158  140.798   13.262  138.118   14.771 2.679886 19.85107 
1 1 1   -8   22   15 o  416.943   14.385  2198.52  149.771  2172.73  210.744  2224.84  212.890  411.802   20.493  416.730   20.457 -4.927887 28.95662 
1 1 1   -8   22   16 o  242.288   10.425  737.896   63.073  664.831   87.227  817.962   91.311  228.594   15.370  253.918   14.460 -25.32352 21.10293 
1 1 1   -8   22   17 o  300.496   11.731  1137.01   88.031  1129.39  122.960  1145.01  126.088  297.799   16.600  299.747   16.914 -1.947845 23.69927 
1 1 1   -8   22   18 o  441.019   15.036  2462.19  165.587  2457.00  233.118  2467.47  235.249  437.529   21.336  438.374   21.490 -0.8447266 30.28276 
1 1 1   -8   22   19 o  681.269   21.717  5962.53  369.466  5907.25  521.594  6018.20  523.419  668.116   31.263  674.595   31.071 -6.478638 44.07702 
1 1 1   -8   22   20 o  129.926   10.183  213.384   32.776  184.802   44.148  248.482   48.922  119.926   15.075  139.510   14.242 -19.58400 20.73878 
1 1 1   -8   22   21 o  254.009   10.677  811.216   67.725  784.071   93.830  840.738   97.853  248.397   15.200  257.217   15.303 -8.820404 21.56920 
1 1 1   -8   22   22 o  149.992   10.351  284.061   38.531  280.542   52.164  288.288   57.162  148.317   14.260  150.094   15.473 -1.777420 21.04149 
1 1 1   -8   22   23 o  379.294   15.756  1823.55  149.236  1806.19  180.092  1861.60  266.613  375.641   19.263  375.904   28.617 -0.2631836 34.49678 
1 1 1   -8   22   24 o  287.677   13.369  1044.61   96.040  1038.09  114.831  1059.77  175.195  285.634   16.165  285.040   24.862 0.5938416 29.65531 
1 1 1   -8   22   25 o  164.849   16.005  347.687   65.056  446.300   82.261  183.021  106.299  186.443   17.888  115.702   34.321 70.74072 38.70298 
1 1 1   -8   22   26 o  233.143   16.377  693.046   94.744  796.640  124.655  551.347  145.789  248.726   20.245  202.969   29.638 45.75710 35.89222 
1 1 1   -8   22   27 o  218.001   16.352  606.376   88.368  706.284  114.328  458.112  139.274  234.272   19.726  183.889   31.460 50.38254 37.13313 
1 1 1   -8   22   28 o  207.316   26.316  567.422  133.171   0.0000   0.0000  567.422  133.171  ?   ?   207.316   26.316 0.000000 26.31584 
1 1 1   -8   22   29 o  183.666   17.306  432.743   78.438  602.830   98.655  140.441  129.329  216.685   18.406  106.657   38.234 110.0280 42.43419 
1 1 1   -8   22   30 o  357.188   16.432  1620.80  146.563  1929.89  177.637  961.744  259.390  388.965   18.288  261.513   41.074 127.4517 44.96118 
1 1 1   -8   22   31 o  124.495   13.292  197.934   40.684  174.980   44.350  319.797  102.188  116.447   15.648  154.194   27.550 -37.74757 31.68357 
1 1 1   -8   22   32 f  141.255   11.318  252.919   39.586  301.751   53.927  195.857   58.295  153.755   14.206  122.162   19.786 31.59333 24.35740 
1 1 1   -8   22   33 f  142.456   11.185  257.263   39.471  302.454   53.869  204.871   58.002  153.875   14.179  125.079   19.182 28.79623 23.85312 
1 1 1   -8   22   34 o  213.736   11.611  578.213   61.740  627.332   85.923  525.781   88.774  221.465   15.637  201.935   17.786 19.53052 23.68242 
1 1 1   -8   22   35 o  226.666   12.107  651.645   68.283  775.426   95.878  524.244   97.270  246.057   15.686  200.618   19.669 45.43968 25.15767 
1 1 1   -8   22   36 o  192.032   11.134  467.625   53.165  503.077   74.398  430.630   76.000  197.930   15.167  182.431   16.874 15.49915 22.68867 
1 1 1   -8   22   37 o  113.528   16.807  169.217   46.209  162.710  111.080  170.579   50.814  107.053   35.567  113.403   18.588 -6.350090 40.13107 
1 1 1   -8   22   38 o  200.081   14.427  515.398   71.598  540.680  143.592  507.032   82.599  195.497   30.401  197.332   16.926 -1.835175 34.79483 
1 1 1   -8   22   39 o   58.350   19.978   42.226   35.043   55.133  105.619   40.629   37.147   79.959   32.886   58.194   20.530 21.76493 38.76847 
1 1 1   -8   22   40 o  102.436   17.793  140.962   43.863  122.972  119.905  143.741   47.130   95.225   36.311  102.979   19.028 -7.753799 40.99481 
1 1 1   -8   22   41 o  128.217   16.345  217.789   51.145  311.748  142.219  203.833   54.812  137.333   39.410  123.061   18.401 14.27258 43.49463 
1 1 1   -8   22   42 o   98.858   18.770  133.665   44.642  178.677  133.824  128.029   47.355  105.736   38.751   96.016   20.380 9.719582 43.78382 
1 1 1   -8   22   43 f  158.918   18.066  339.589   70.422  276.399  152.367  356.754   79.413  124.650   41.664  161.595   20.115 -36.94471 46.26506 
1 1 1   -8   22   44 o  150.779   17.690  306.603   65.342  489.741  164.159  272.126   71.227  168.953   39.599  139.870   21.044 29.08319 44.84359 
1 1 1   -8   22   45 o   97.787   19.204  133.474   45.222  157.950  166.639  131.528   46.986   98.420   40.967   96.579   20.134 1.840965 45.64752 
1 1 1   -8   22   46 o  100.737   18.769  141.898   45.477  213.576  181.291  137.085   46.980  104.387   43.027   98.400   19.804 5.986404 47.36603 
1 1 1   -8   23    1 o  158.876   9.8325  319.157   38.818  316.644   56.426  321.415   53.486  157.091   14.549  158.534   13.643 -1.442200 19.94536 
1 1 1   -8   23    2 o  395.582   13.979  1988.08  138.091  1846.07  195.291  2130.09  195.290  376.743   20.839  406.347   19.246 -29.60385 28.36657 
1 1 1   -8   23    3 o  463.928   15.741  2745.35  182.364  2576.27  257.709  2914.94  258.094  443.293   23.363  473.447   21.830 -30.15417 31.97457 
1 1 1   -8   23    4 o  256.659   22.415  863.104  142.221  863.104  142.221   0.0000   0.0000  256.659   22.415  ?   ?  0.000000 22.41475 
1 1 1   -8   23    5 o  170.817   14.693  373.376   62.067  427.003   85.306  313.057   90.473  181.301   19.131  152.976   24.511 28.32524 31.09318 
1 1 1   -8   23    6 o  265.736   10.892  890.089   72.279  800.150  101.386  983.045  103.072  249.991   16.330  277.747   14.915 -27.75639 22.11667 
1 1 1   -8   23    7 o  265.256   10.879  886.646   72.061  909.936  101.100  862.594  102.740  267.140   15.218  259.824   15.911 7.315826 22.01735 
1 1 1   -8   23    8 f  238.344   10.433  715.187   62.098  684.062   86.640  748.067   89.050  231.605   15.062  242.329   14.786 -10.72401 21.10699 
1 1 1   -8   23    9 o  319.433   12.000  1287.71   95.725  1255.41  134.228  1321.15  136.555  313.199   17.228  321.385   17.076 -8.186615 24.25725 
1 1 1   -8   23   10 o  144.892   9.7539  265.115   35.086  230.183   48.067  304.956   51.334  133.983   14.603  154.709   13.420 -20.72667 19.83287 
1 1 1   -8   23   11 o  171.423   9.5622  370.438   40.770  347.585   55.893  396.425   59.602  165.203   13.671  176.510   13.628 -11.30667 19.30318 
1 1 1   -8   23   12 o  253.985   11.023  812.336   69.915  844.955   97.454  777.744  100.359  257.621   15.216  246.748   16.381 10.87321 22.35727 
1 1 1   -8   23   13 o  540.215   25.418  3806.94  342.899  3864.12  484.976  3749.78  484.889  531.025   36.799  522.293   37.425 8.731750 52.48670 
1 1 1   -8   23   14 o  214.336   12.160  581.201   64.818  578.525  107.468  582.730   81.263  211.286   20.632  213.804   15.322 -2.517868 25.69880 
1 1 1   -8   23   15 f  291.333   11.607  1069.39   84.442  1122.43  118.045  1013.80  120.842  296.867   15.982  281.629   17.266 15.23843 23.52756 
1 1 1   -8   23   16 o  265.722   11.196  889.000   74.289  933.620  103.498  841.580  106.696  270.903   15.362  256.711   16.735 14.19186 22.71724 
1 1 1   -8   23   17 o  312.605   12.014  1231.82   93.782  1223.32  130.995  1240.76  134.324  309.616   17.008  311.695   17.326 -2.078735 24.27849 
1 1 1   -8   23   18 o  339.005   12.673  1450.11  107.286  1469.26  150.267  1430.21  153.227  339.075   17.809  334.255   18.428 4.819519 25.62753 
1 1 1   -8   23   19 o  271.664   11.175  929.011   75.810  904.115  105.257  955.846  109.279  266.448   15.892  273.939   16.045 -7.491180 22.58266 
1 1 1   -8   23   20 o  213.230   10.336  571.651   55.038  567.026   75.287  576.960   80.660  211.221   14.359  212.827   15.279 -1.605850 20.96688 
1 1 1   -8   23   21 o  149.337   10.123  281.567   37.526  257.871   50.408  311.025   56.204  142.059   14.409  156.104   14.587 -14.04523 20.50356 
1 1 1   -8   23   22 o  332.622   12.583  1395.53  104.520  1440.58  145.767  1347.86  149.948  335.965   17.435  324.465   18.584 11.50034 25.48176 
1 1 1   -8   23   23 o  162.565   10.547  333.692   42.584  326.239   57.626  342.659   63.206  159.917   14.591  163.665   15.656 -3.748688 21.40106 
1 1 1   -8   23   24 o  276.897   11.621  965.609   80.354  947.456  110.984  985.609  116.491  272.667   16.375  277.952   16.863 -5.285828 23.50556 
1 1 1   -8   23   25 o  152.091   10.522  292.230   39.718  309.575   53.590  271.091   59.161  155.899   13.912  145.173   16.619 10.72633 21.67274 
1 1 1   -8   23   26 o  176.017   10.883  391.250   47.601  435.991   64.943  339.306   69.975  185.153   14.153  162.358   17.538 22.79439 22.53613 
1 1 1   -8   23   27 o  200.312   10.773  506.201   53.693  535.155   73.159  472.398   79.049  205.173   14.370  192.107   16.642 13.06522 21.98752 
1 1 1   -8   23   28 o  110.770   13.195  157.070   35.781  156.230   51.355  157.863   49.880  108.944   19.598  109.712   18.888 -0.7674713 27.21792 
1 1 1   -8   23   29 o   70.519   15.383   65.454   26.326   75.936   33.450   48.393   42.676   75.695   17.965   63.903   22.039 11.79112 28.43378 
1 1 1   -8   23   30 o  257.290   11.933  834.623   76.670  912.494  106.245  750.009  110.749  267.551   15.975  241.611   18.496 25.94049 24.43997 
1 1 1   -8   23   31 o  118.574   11.931  179.062   34.849  180.050   46.310  177.771   52.914  117.962   16.145  116.491   18.832 1.470657 24.80558 
1 1 1   -8   23   32 o  104.410   12.151  139.417   31.090  141.371   40.843  136.724   47.941  104.222   16.221  101.589   19.608 2.632660 25.44750 
1 1 1   -8   23   33 o   83.610   13.599   90.759   27.416   85.534   35.283   98.723   43.557   80.201   18.052   85.812   20.590 -5.611740 27.38293 
1 1 1   -8   23   34 o  144.479   11.552  265.324   41.329  320.803   55.984  198.875   61.270  158.252   14.322  122.382   20.792 35.87011 25.24744 
1 1 1   -8   23   35 o  114.531   11.737  167.652   33.093  169.328   43.794  165.421   50.527  114.066   15.799  111.827   18.758 2.239632 24.52494 
1 1 1   -8   23   36 o  172.611   10.997  378.385   47.153  354.805   64.395  405.644   69.236  165.654   15.757  177.195   15.813 -11.54135 22.32323 
1 1 1   -8   23   37 o  219.482   12.561  614.952   68.558  726.521   96.558  501.523   97.359  236.832   16.428  194.667   20.328 42.16507 26.13611 
1 1 1   -8   23   38 o   68.049   20.443   62.122   37.536   49.641  103.780   64.000   40.262   78.705   32.509   69.143   21.256 9.561485 38.84144 
1 1 1   -8   23   39 o  132.719   15.836  231.212   51.449  301.084  128.799  217.947   56.120  139.027   36.598  127.883   18.077 11.14398 40.81913 
1 1 1   -8   23   40 o  106.614   17.821  152.899   45.771   14.668  121.302  175.848   49.424   75.527   33.225  114.472   17.874 -38.94501 37.72774 
1 1 1   -8   23   41 o   88.952   19.187  108.962   41.369  209.080  122.933   96.177   43.931  113.543   37.402   82.868   21.156 30.67510 42.97059 
1 1 1   -8   23   42 o   82.969   19.983   96.048   40.910  250.196  132.039   79.679   43.028  121.715   38.656   75.329   21.695 46.38569 44.32815 
1 1 1   -8   23   43 o   91.169   21.419  117.734   47.935  139.824  142.692  114.924   50.893   96.724   38.791   89.518   22.726 7.205681 44.95813 
1 1 1   -8   23   44 o   62.093   21.996   49.829   42.683   71.873  158.917   48.115   44.311   86.679   38.083   61.751   22.349 24.92836 44.15596 
1 1 1   -8   23   45 o   91.445   20.557  119.185   45.802   13.391  172.677  127.191   47.503   80.530   37.101   94.457   20.710 -13.92718 42.48991 
1 1 1   -8   23   46 o   86.048   21.009  107.348   44.751 -36.9586  175.571  117.374   46.280   74.971   35.460   90.079   20.967 -15.10835 41.19477 
1 1 1   -8   24    1 o  163.501   10.507  338.826   42.672  350.867   62.713  328.445   58.230  165.013   15.397  159.814   14.758 5.199326 21.32730 
1 1 1   -8   24    2 o  483.249   23.704  3075.01  286.050   0.0000   0.0000  3075.01  286.050  ?   ?   483.249   23.704 0.000000 23.70396 
1 1 1   -8   24    3 f  256.185   15.593  841.092   99.283  841.092   99.283   0.0000   0.0000  256.185   15.593  ?   ?  0.000000 15.59346 
1 1 1   -8   24    4 o  505.363   16.917  3272.27  213.493  3260.46  301.852  3284.09  301.996  497.762   24.284  499.646   24.204 -1.884949 34.28636 
1 1 1   -8   24    5 o  314.798   12.202  1253.75   95.920  1181.22  135.214  1327.21  136.093  302.768   17.964  321.496   17.012 -18.72855 24.74111 
1 1 1   -8   24    6 o  173.248   11.753  380.942   50.548  393.397   60.111  350.870   93.405  175.533   13.825  162.249   23.757 13.28372 27.48727 
1 1 1   -8   24    7 o   99.545   17.957  130.689   42.997  116.290   55.440  152.420   68.111   92.579   23.837  105.509   26.015 -12.92970 35.28471 
1 1 1   -8   24    8 o  186.633   9.9517  439.687   46.213  433.905   64.175  445.915   66.602  184.410   14.041  186.861   14.384 -2.451447 20.10097 
1 1 1   -8   24    9 o  127.194   10.017  204.873   31.558  187.199   43.092  225.317   46.345  120.573   14.610  132.529   14.226 -11.95605 20.39214 
1 1 1   -8   24   10 o   77.178   13.010   77.352   24.183   85.471   32.116   66.721   36.749   80.467   16.536   70.967   19.921 9.499870 25.88994 
1 1 1   -8   24   11 o  419.245   14.692  2231.43  153.818  2254.31  216.598  2208.15  218.478  417.972   20.752  412.854   21.264 5.118103 29.71161 
1 1 1   -8   24   12 o  233.214   10.467  684.769   60.959  647.928   84.485  724.779   88.043  225.368   15.099  238.492   14.857 -13.12439 21.18293 
1 1 1   -8   24   13 o  328.521   12.504  1363.36  102.581  1414.80  143.825  1310.10  146.352  332.446   17.385  319.389   18.428 13.05722 25.33424 
1 1 1   -8   24   14 o  108.507   10.785  149.691   28.836  149.158   38.202  150.397   43.964  107.518   14.606  107.394   16.956 0.1244736 22.37972 
1 1 1   -8   24   15 o  289.922   16.028  1072.19  115.589  1099.39  163.251  1044.84  163.684  290.561   22.679  282.853   23.383 7.707733 32.57481 
1 1 1   -8   24   16 o  436.418   21.180  2454.74  230.818  2449.98  326.501  2459.49  326.350  427.768   30.771  428.677   30.689 -0.9088745 43.45868 
1 1 1   -8   24   17 o  332.345   12.645  1394.77  104.946  1414.78  146.700  1373.80  150.195  332.481   17.733  327.288   18.452 5.193237 25.59186 
1 1 1   -8   24   18 o  245.646   10.856  759.669   66.593  785.622   91.866  730.932   96.671  248.491   14.873  239.210   16.280 9.280792 22.05095 
1 1 1   -8   24   19 o  171.091   10.275  369.471   43.697  391.830   59.358  343.018   64.564  175.504   13.651  163.555   16.013 11.94971 21.04251 
1 1 1   -8   24   20 o  154.301   10.420  300.834   39.914  308.304   53.828  291.710   59.489  155.482   14.014  150.710   16.054 4.772446 21.31034 
1 1 1   -8   24   21 f  223.619   10.620  629.184   59.303  653.693   81.436  601.514   86.530  226.754   14.457  217.012   16.082 9.741623 21.62468 
1 1 1   -8   24   22 o  387.227   13.650  1895.95  131.990  1897.98  184.581  1893.81  188.816  385.085   19.195  383.918   19.762 1.167603 27.54921 
1 1 1   -8   24   23 o  269.258   11.428  913.252   76.838  899.279  105.881  928.799  111.682  265.604   16.039  269.726   16.663 -4.121857 23.12769 
1 1 1   -8   24   24 o  350.241   12.983  1549.15  113.548  1558.60  158.349  1539.16  162.910  348.951   18.235  346.447   18.902 2.504272 26.26411 
1 1 1   -8   24   25 o  120.800   11.226  185.305   33.477  173.073   43.966  202.181   51.642  115.790   15.602  124.953   16.991 -9.163055 23.06783 
1 1 1   -8   24   26 o  154.954   10.696  303.547   41.134  286.081   55.172  325.405   61.721  149.512   14.979  159.363   15.714 -9.850906 21.70914 
1 1 1   -8   24   27 o  188.901   16.754  457.530   78.213   0.0000   0.0000  457.530   78.213  ?   ?   188.901   16.754 0.000000 16.75430 
1 1 1   -8   24   28 o  191.591   14.769  467.952   70.113  467.952   70.113   0.0000   0.0000  191.591   14.769  ?   ?  0.000000 14.76850 
1 1 1   -8   24   29 o  296.105   12.095  1106.21   89.437  1144.12  123.918  1064.99  129.213  299.318   16.644  288.187   18.046 11.13077 24.54974 
1 1 1   -8   24   30 o  166.101   11.188  349.201   46.135  377.007   62.260  315.340   68.705  171.811   14.651  156.117   17.950 15.69370 23.17040 
1 1 1   -8   24   31 o  114.333   11.735  166.634   33.029  142.654   43.194  200.394   51.252  104.428   17.160  124.239   16.963 -19.81085 24.12884 
1 1 1   -8   24   32 o  108.842   12.337  151.616   32.939  165.795   43.050  131.593   51.159  113.085   15.665   99.058   21.313 14.02746 26.45123 
1 1 1   -8   24   33 o  129.466   11.703  213.505   37.427  201.826   49.512  229.076   57.170  124.690   16.290  132.532   17.718 -7.842476 24.06848 
1 1 1   -8   24   34 o  108.817   12.182  151.788   32.536  147.389   42.825  157.793   50.038  106.016   16.731  109.056   19.068 -3.040512 25.36760 
1 1 1   -8   24   35 o  166.747   11.140  353.354   46.120  356.957   62.215  348.960   68.714  166.386   15.139  163.809   17.048 2.576935 22.79963 
1 1 1   -8   24   36 o  163.230   11.075  339.080   44.875  332.387   60.870  347.048   66.418  160.206   15.405  163.302   16.514 -3.096252 22.58387 
1 1 1   -8   24   37 o   64.529   15.505   55.730   24.674   48.912   30.830   67.878   41.154   60.894   18.580   71.005   21.422 -10.11139 28.35680 
1 1 1   -8   24   38 o   91.709   19.076  114.315   42.264   44.814  107.845  126.926   45.939   78.185   32.783   96.516   19.726 -18.33102 38.26027 
1 1 1   -8   24   39 o  142.604   15.457  266.657   54.162  299.413  122.744  258.737   60.355  138.662   35.343  139.419   17.737 -0.7571411 39.54449 
1 1 1   -8   24   40 o  198.307   14.997  513.553   73.716  668.210  162.667  473.585   82.694  211.717   31.746  188.746   17.753 22.97099 36.37317 
1 1 1   -8   24   41 o  177.735   15.175  414.687   66.708  470.847  149.321  400.684   74.562  172.114   35.904  173.341   17.463 -1.226700 39.92530 
1 1 1   -8   24   42 o  126.049   17.261  213.717   52.903  232.375  147.725  210.972   56.661  115.163   40.908  124.411   18.827 -9.247314 45.03199 
1 1 1   -8   24   43 o   67.537   21.359   63.194   40.343   1.1423  143.550   68.516   42.037   76.048   34.576   69.971   21.754 6.076546 40.85023 
1 1 1   -8   24   44 o   59.001   21.561   43.048   41.387  142.768  146.347   34.379   43.148   95.230   38.886   56.279   21.702 38.95043 44.53181 
1 1 1   -8   24   45 o   67.330   22.451   63.631   44.245 -70.7160  157.950   75.071   46.090   69.825   33.202   72.138   22.831 -2.313026 40.29428 
1 1 1   -8   24   46 o   96.476   21.339  135.498   50.046   67.590  185.120  140.852   51.981   84.726   38.804   98.134   21.780 -13.40835 44.49887 
1 1 1   -8   25    1 o  142.736   14.598  262.924   51.300   0.0000   0.0000  262.924   51.300  ?   ?   142.736   14.598 0.000000 14.59790 
1 1 1   -8   25    2 f  297.270   24.778  1182.29  182.258  1182.29  182.258   0.0000   0.0000  297.270   24.778  ?   ?  0.000000 24.77761 
1 1 1   -8   25    3 o  200.150   11.095  508.036   55.237  461.672   78.654  553.156   77.591  188.855   16.855  207.551   15.073 -18.69592 22.61187 
1 1 1   -8   25    4 o  193.030   10.167  471.294   48.835  473.241   69.591  469.405   68.547  192.126   14.615  191.398   14.448 0.7272339 20.55074 
1 1 1   -8   25    5 o   40.028   14.970   15.606   20.156  -1.4226   31.216   27.782   26.396   40.053   17.243   49.236   17.313 -9.183060 24.43456 
1 1 1   -8   25    6 o   95.577   11.444  117.045   26.771  100.054   38.769  132.531   37.012   86.593   18.491  100.898   15.158 -14.30511 23.91003 
1 1 1   -8   25    7 o   99.318   11.733  126.377   28.538   98.455   40.355  154.311   40.363   85.745   19.311  109.032   15.241 -23.28678 24.60106 
1 1 1   -8   25    8 o  158.794   12.114  320.741   47.675  325.612   55.559  307.136   92.843  159.491   14.095  150.767   25.574 8.724274 29.20099 
1 1 1   -8   25    9 o  184.837   15.336  438.109   70.147  475.711   93.983  390.815  105.402  190.958   20.006  170.593   25.527 20.36536 32.43218 
1 1 1   -8   25   10 o   89.580   12.102  103.209   26.379   58.163   35.679  157.520   39.176   66.643   19.910  110.425   14.562 -43.78267 24.66741 
1 1 1   -8   25   11 o  284.684   11.398  1022.90   81.031  1025.29  113.071  1020.38  116.182  283.098   16.060  282.204   16.559 0.8936157 23.06797 
1 1 1   -8   25   12 o  284.068   11.469  1018.41   81.359  974.932  113.462  1064.42  116.725  275.892   16.545  288.432   16.272 -12.53976 23.20618 
1 1 1   -8   25   13 o   95.901   11.527  117.672   27.053  128.503   36.203  103.977   40.711   99.493   15.041   88.381   19.010 11.11234 24.24080 
1 1 1   -8   25   14 o  220.434   10.670  612.168   58.735  693.035   80.863  521.853   85.456  233.412   13.937  201.430   17.152 31.98193 22.10067 
1 1 1   -8   25   15 o  431.452   15.148  2365.77  163.212  2494.80  229.743  2234.31  231.905  439.569   20.930  414.400   22.494 25.16977 30.72529 
1 1 1   -8   25   16 o  349.284   12.722  1542.18  110.966  1470.79  154.975  1617.29  158.960  338.381   18.410  355.102   17.985 -16.72067 25.73638 
1 1 1   -8   25   17 o  246.958   12.043  769.845   74.268  734.562   91.272  838.983  127.767  239.971   15.311  254.564   20.267 -14.59210 25.39999 
1 1 1   -8   25   18 o   56.654   18.114   40.324   28.957   6.7859   41.228   72.977   40.681   48.477   20.295   74.211   21.005 -25.73407 29.20723 
1 1 1   -8   25   19 o  248.255   14.974  784.971   92.396  787.655  131.126  782.324  130.215  246.126   21.552  245.322   21.472 0.8044586 30.42216 
1 1 1   -8   25   20 o  193.811   10.573  474.221   50.979  517.590   69.200  422.751   75.386  201.740   13.819  181.401   16.834 20.33957 21.77962 
1 1 1   -8   25   21 o  286.023   11.547  1031.39   82.473  998.895  113.808  1067.32  119.683  279.679   16.367  289.017   16.653 -9.337921 23.34959 
1 1 1   -8   25   22 o  146.630   10.456  271.920   38.034  252.483   50.398  297.634   57.969  140.402   14.587  152.339   15.452 -11.93776 21.24984 
1 1 1   -8   25   23 f  322.228   12.228  1310.46   98.390  1240.93  135.943  1386.96  142.585  311.338   17.557  329.268   17.403 -17.93045 24.72050 
1 1 1   -8   25   24 o  295.670   11.840  1102.62   87.423  1055.30  120.506  1155.18  127.021  287.309   16.870  300.591   16.991 -13.28162 23.94391 
1 1 1   -8   25   25 o  277.018   11.376  967.187   78.697  948.654  107.936  988.222  114.987  272.696   15.919  278.075   16.635 -5.378479 23.02534 
1 1 1   -8   25   26 o  220.029   13.029  614.059   71.269  594.339  120.807  624.586   88.264  212.957   23.087  221.014   16.103 -8.057495 28.14794 
1 1 1   -8   25   27 o  173.891   13.537  384.891   58.321  438.056   65.494  181.263  128.175  185.393   14.256  115.251   38.202 70.14183 40.77492 
1 1 1   -8   25   28 o  438.498   15.577  2444.86  170.566  2601.05  239.108  2283.03  243.382  448.758   21.337  418.468   23.384 30.28931 31.65543 
1 1 1   -8   25   29 o  226.815   11.542  650.637   65.160  691.257   88.697  603.011   96.041  232.686   15.351  216.377   17.936 16.30847 23.60839 
1 1 1   -8   25   30 o  122.434   11.781  190.962   35.574  179.124   46.598  207.499   55.077  117.459   16.328  126.095   18.002 -8.636116 24.30436 
1 1 1   -8   25   31 o  215.009   11.455  585.330   61.284  644.912   83.508  515.789   90.217  224.641   14.972  199.624   18.302 25.01634 23.64557 
1 1 1   -8   25   32 o  143.402   11.412  261.434   40.528  232.500   53.947  298.925   61.407  133.857   16.487  152.023   16.437 -18.16597 23.28119 
1 1 1   -8   25   33 o   94.503   13.148  115.502   30.187  111.860   38.539  121.284   48.557   91.853   17.440   94.744   21.069 -2.890724 27.35015 
1 1 1   -8   25   34 o  224.211   11.406  638.269   63.649  644.822   86.859  630.668   93.538  223.744   15.644  220.603   17.113 3.140671 23.18651 
1 1 1   -8   25   35 o  213.764   12.230  582.706   65.012  630.803   89.412  528.756   94.696  220.667   16.342  200.578   19.138 20.08853 25.16611 
1 1 1   -8   25   36 o  185.649   11.329  439.295   52.270  375.413   70.891  515.398   77.377  169.396   16.988  199.353   15.669 -29.95703 23.11073 
1 1 1   -8   25   37 o  261.774   11.978  873.890   78.301  930.518  108.361  812.015  113.271  267.308   16.311  248.254   18.402 19.05415 24.59087 
1 1 1   -8   25   38 o  233.618   11.912  699.037   69.262  752.069   95.965  641.377  100.065  239.880   16.114  219.969   18.385 19.91119 24.44734 
1 1 1   -8   25   39 o   71.944   20.929   71.532   39.865   34.991  102.937   77.980   43.239   74.096   31.589   74.868   21.802 -0.7715607 38.38260 
1 1 1   -8   25   40 o  124.210   17.210  206.794   51.947  171.581  124.456  214.223   57.164  103.881   37.477  125.663   18.794 -21.78264 41.92488 
1 1 1   -8   25   41 o  188.983   15.365  470.203   71.883  587.191  156.510  438.928   80.923  194.569   33.416  180.719   18.178 13.85039 38.04029 
1 1 1   -8   25   42 o   86.132   20.641  104.795   43.815  304.742  131.286   79.733   46.480  133.728   37.693   74.926   22.802 58.80266 44.05359 
1 1 1   -8   25   43 o  112.644   19.346  175.939   52.459  240.104  145.791  166.395   56.225  114.368   40.637  108.228   21.561 6.139511 46.00301 
1 1 1   -8   25   44 o  140.601   19.356  273.965   66.160  274.551  163.487  273.850   72.349  117.278   42.854  139.005   21.539 -21.72733 47.96256 
1 1 1   -8   25   45 o  105.112   21.670  160.071   54.990  316.189  180.581  144.115   57.732  119.821   44.810   98.246   23.786 21.57564 50.73195 
1 1 1   -8   26    1 o  124.151   11.356  197.124   34.816  215.141   54.162  184.437   45.450  127.807   17.424  118.774   15.709 9.032898 23.46038 
1 1 1   -8   26    2 o  220.213   10.702  613.817   58.849  653.875   85.495  577.746   81.128  225.227   15.291  211.577   15.462 13.64973 21.74642 
1 1 1   -8   26    3 o   97.449   12.757  122.717   30.298  107.971   45.894  134.108   40.337   89.091   20.976  100.854   16.593 -11.76275 26.74590 
1 1 1   -8   26    4 o   42.017   16.110   15.837   23.683 -14.5869   49.066   25.078   27.041   46.772   20.824   48.055   17.448 -1.282742 27.16808 
1 1 1   -8   26    5 o   97.231   12.224  121.709   29.025   93.658   43.008  145.170   39.332   83.135   20.775  105.483   15.385 -22.34766 25.85106 
1 1 1   -8   26    6 o   46.205   15.582   25.683   21.314   26.798   34.345   24.984   27.181   51.882   19.515   48.121   17.490 3.760220 26.20576 
1 1 1   -8   26    7 f   70.775   14.464   66.066   24.699   74.138   36.675   59.366   33.413   74.304   19.514   66.860   19.075 7.443672 27.28881 
1 1 1   -8   26    8 o  120.761   10.842  185.595   32.348  193.045   45.799  178.178   45.696  122.055   15.367  116.992   16.065 5.062752 22.23127 
1 1 1   -8   26    9 o  158.813   10.161  319.255   40.086  256.250   55.557  387.678   57.897  140.692   16.103  174.240   13.409 -33.54718 20.95524 
1 1 1   -8   26   10 o  178.205   10.401  401.802   46.084  419.951   63.610  381.751   66.858  181.199   14.171  172.234   15.718 8.965179 21.16267 
1 1 1   -8   26   11 o   92.629   20.525  115.240   46.227  110.246   57.048  124.789   78.887   90.023   24.653   95.772   29.805 -5.748474 38.67956 
1 1 1   -8   26   12 o  248.178   10.966  777.217   67.959  825.198   94.664  726.190   97.622  254.153   14.982  237.770   16.544 16.38329 22.31977 
1 1 1   -8   26   13 o  179.481   10.399  407.307   46.409  441.421   63.458  368.083   68.046  186.021   13.758  169.025   16.324 16.99611 21.34893 
1 1 1   -8   26   14 o  131.076   10.706  218.009   34.738  227.737   46.827  206.102   51.802  133.174   14.305  125.918   16.901 7.255821 22.14212 
1 1 1   -8   26   15 o  222.967   10.659  626.635   59.347  640.339   81.528  611.188   86.558  224.003   14.656  218.377   15.984 5.626587 21.68556 
1 1 1   -8   26   16 o   89.145   12.352  102.305   26.758   78.207   34.887  136.738   41.701   76.590   18.458  102.187   16.935 -25.59714 25.04932 
1 1 1   -8   26   17 o  239.786   10.933  724.886   65.469  753.174   89.927  692.985   95.498  242.993   14.892  232.462   16.559 10.53081 22.27039 
1 1 1   -8   26   18 o  232.240   11.094  680.093   64.340  744.840   88.269  606.694   93.981  241.732   14.692  217.132   17.481 24.60008 22.83507 
1 1 1   -8   26   19 f   97.476   12.297  121.886   29.266  116.037   38.072  130.334   45.754   94.016   16.835   99.170   19.169 -5.154060 25.51196 
1 1 1   -8   26   20 o  188.080   13.979  450.829   65.187  458.786   92.828  443.088   91.562  187.749   20.112  184.440   20.211 3.309525 28.51259 
1 1 1   -8   26   21 o  493.611   23.657  3175.67  291.602  3201.61  412.933  3149.88  411.845  483.528   34.423  479.328   34.641 4.200867 48.83574 
1 1 1   -8   26   22 o  229.728   14.883  672.989   84.919  601.950  120.466  743.157  119.725  214.169   22.879  239.404   20.215 -25.23511 30.53015 
1 1 1   -8   26   23 o  145.628   11.044  268.805   39.864  277.989   52.693  256.514   60.958  147.329   14.511  140.583   17.760 6.745483 22.93443 
1 1 1   -8   26   24 o  300.290   11.834  1138.23   88.740  1044.53  121.556  1245.16  129.849  285.500   17.129  311.979   16.728 -26.47916 23.94233 
1 1 1   -8   26   25 o  193.769   10.811  474.537   52.106  469.298   69.495  481.263   78.746  191.737   14.625  193.630   16.441 -1.892303 22.00430 
1 1 1   -8   26   26 o  312.868   14.397  1242.33  112.486  1265.27  185.056  1228.90  141.660  310.470   24.057  309.070   18.438 1.399994 30.31005 
1 1 1   -8   26   27 o  277.045   12.068  969.657   83.493  1053.63  114.319  873.655  122.232  287.107   16.009  260.134   18.947 26.97263 24.80430 
1 1 1   -8   26   28 o  314.486   13.089  1252.53  102.791  1370.46  142.085  1123.02  148.891  326.734   17.478  294.213   20.391 32.52023 26.85646 
1 1 1   -8   26   29 o  146.772   11.309  273.511   41.129  259.374   54.109  292.858   63.297  141.861   15.528  150.341   17.168 -8.479263 23.14820 
1 1 1   -8   26   30 o  197.658   10.905  494.555   53.619  488.841   71.884  501.720   80.501  195.380   14.844  197.386   16.483 -2.005615 22.18191 
1 1 1   -8   26   31 o  147.387   11.337  276.184   41.404  289.358   54.611  258.373   63.498  149.966   14.775  140.420   18.564 9.545837 23.72536 
1 1 1   -8   26   32 o  185.819   11.414  438.619   52.709  445.212   70.308  430.160   79.644  185.977   15.274  181.831   17.767 4.146194 23.43007 
1 1 1   -8   26   33 o  133.128   11.548  226.275   38.009  217.427   49.470  239.025   59.385  129.303   15.639  134.790   18.100 -5.487152 23.92036 
1 1 1   -8   26   34 o  133.144   11.939  226.989   39.273  265.039   51.865  175.849   60.127  143.074   14.727  113.647   21.982 29.42621 26.45875 
1 1 1   -8   26   35 o  128.614   11.836  212.169   37.587  192.975   48.977  239.671   58.628  121.046   16.643  134.610   17.884 -13.56454 24.42996 
1 1 1   -8   26   36 o  281.124   12.594  1010.36   88.410  970.451  121.477  1055.31  128.916  271.720   18.005  283.138   18.331 -11.41782 25.69462 
1 1 1   -8   26   37 o   58.671   15.768   46.286   23.597   43.531   28.502   52.289   42.074   57.468   17.920   63.904   21.891 -6.435570 28.29045 
1 1 1   -8   26   38 o  149.664   12.027  288.670   44.568  289.255   59.470  287.920   67.315  147.896   16.377  146.256   18.871 1.640045 24.98669 
1 1 1   -8   26   39 o  171.929   11.819  380.744   50.437  397.541   68.517  360.876   74.520  173.543   15.990  163.781   18.547 9.762604 24.48846 
1 1 1   -8   26   40 o  126.635   16.877  215.017   52.043  368.462  119.884  179.386   57.770  154.405   32.138  113.308   21.196 41.09673 38.49800 
1 1 1   -8   26   41 o  115.615   17.808  181.663   49.764  275.037  122.137  163.077   54.492  128.054   36.448  107.778   21.002 20.27574 42.06587 
1 1 1   -8   26   42 o  130.832   17.554  232.170   55.905  241.281  133.629  230.236   61.551  116.323   39.017  128.982   19.738 -12.65842 43.72537 
1 1 1   -8   26   43 f  128.303   17.597  224.582   54.895  283.967  146.641  214.904   59.199  122.392   40.873  124.151   19.757 -1.758919 45.39791 
1 1 1   -8   26   44 o  128.098   20.885  233.000   64.505   83.728  162.823  260.790   70.254   85.774   38.075  135.152   21.539 -49.37871 43.74540 
1 1 1   -8   26   45 f  114.687   23.374  195.303   64.671   0.0000   0.0000  195.303   64.671  ?   ?   114.687   23.374 0.000000 23.37422 
1 1 1   -8   27    1 o  102.229   13.076  135.802   32.617  200.944   51.520   92.229   42.136  123.136   17.226   81.852   20.623 41.28379 26.87142 
1 1 1   -8   27    2 o  146.952   11.355  276.027   41.346  236.306   62.119  307.622   55.401  133.013   19.262  154.070   14.573 -21.05724 24.15362 
1 1 1   -8   27    3 o  232.757   11.587  688.404   67.345  595.289   96.710  776.068   93.837  212.984   18.363  245.064   15.412 -32.07922 23.97338 
1 1 1   -8   27    4 o  166.615   10.780  353.063   44.613  280.258   64.444  420.066   61.823  145.893   18.076  180.788   13.798 -34.89511 22.74043 
1 1 1   -8   27    5 o   94.139   12.761  114.735   29.226   79.366   44.821  140.897   38.548   76.524   22.172  103.754   15.341 -27.22993 26.96184 
1 1 1   -8   27    6 o  122.221   13.937  192.975   41.776  209.780   68.028  182.800   52.932  124.326   22.750  117.384   18.684 6.941483 29.43887 
1 1 1   -8   27    7 o  107.701   11.590  148.613   30.681  175.494   46.456  127.816   40.861  115.746   16.543   98.245   17.286 17.50108 23.92671 
1 1 1   -8   27    8 o   53.741   16.595   37.190   24.510   16.061   37.545   52.882   32.356   49.259   19.848   63.385   18.966 -14.12679 27.45223 
1 1 1   -8   27    9 o   59.055   16.145   46.177   24.492   57.153   35.843   36.563   33.546   65.932   20.015   55.783   19.523 10.14904 27.95918 
1 1 1   -8   27   10 o  128.740   10.963  210.930   34.910  201.345   48.795  220.981   49.967  124.412   16.082  130.560   15.637 -6.148453 22.43090 
1 1 1   -8   27   11 o  261.591   11.289  865.211   73.744  785.052  102.234  952.156  106.474  246.846   16.683  272.409   15.719 -25.56325 22.92172 
1 1 1   -8   27   12 o  258.878   10.983  846.556   71.004  847.976   98.142  844.997  102.853  257.259   15.347  256.460   16.142 0.7984924 22.27331 
1 1 1   -8   27   13 o  212.196   16.520  579.930   86.848  697.475  115.763  428.597  131.351  231.113   20.263  175.440   31.121 55.67247 37.13649 
1 1 1   -8   27   14 o  183.875   12.515  430.180   57.125  435.468   94.706  427.155   71.620  181.901   21.250  182.190   15.901 -0.2885895 26.54062 
1 1 1   -8   27   15 o   91.325   12.996  107.750   28.802  105.069   37.902  111.414   44.310   89.016   17.674   91.152   20.015 -2.135994 26.70132 
1 1 1   -8   27   16 o  131.367   10.950  219.249   35.592  245.134   47.592  186.397   53.615  138.242   13.978  119.047   18.647 19.19514 23.30473 
1 1 1   -8   27   17 o   59.487   16.270   46.672   24.866   45.390   32.397   48.509   38.792   59.836   19.163   62.686   21.022 -2.849522 28.44568 
1 1 1   -8   27   18 o  317.704   12.594  1277.76   99.918  1359.51  138.729  1189.63  144.031  325.409   17.132  303.321   19.113 22.08844 25.66768 
1 1 1   -8   27   19 o  165.503   10.700  346.788   43.986  329.075   58.308  370.180   67.008  160.206   14.740  169.611   16.010 -9.404984 21.76195 
1 1 1   -8   27   20 o  272.833   11.789  940.512   80.320  1010.43  110.225  861.355  117.283  281.076   15.768  258.374   18.296 22.70193 24.15266 
1 1 1   -8   27   21 o  309.475   12.597  1212.03   97.349  1319.06  134.764  1095.23  140.778  320.738   16.885  290.903   19.492 29.83499 25.78836 
1 1 1   -8   27   22 o   52.682   17.012   34.648   25.491   33.606   32.608   36.284   40.876   54.337   19.228   58.295   21.409 -3.957264 28.77606 
1 1 1   -8   27   23 o  286.901   16.230  1053.87  115.804  1124.49  165.134  985.543  162.442  292.954   22.751  273.413   24.036 19.54111 33.09612 
1 1 1   -8   27   24 o  199.972   14.788  511.244   73.321  468.647  105.037  551.727  102.396  188.417   22.787  205.771   20.187 -17.35400 30.44310 
1 1 1   -8   27   25 o  103.588   23.041  145.140   58.061   0.0000   0.0000  145.140   58.061  ?   ?   103.588   23.041 0.000000 23.04062 
1 1 1   -8   27   26 o  257.886   15.552  850.973   99.683  850.973   99.683   0.0000   0.0000  257.886   15.552  ?   ?  0.000000 15.55167 
1 1 1   -8   27   27 o  334.951   12.647  1421.16  105.781  1361.91  144.353  1489.88  155.458  325.151   17.847  339.807   18.389 -14.65570 25.62499 
1 1 1   -8   27   28 o  305.203   12.825  1181.08   97.749  1285.22  134.428  1064.23  142.392  316.086   17.094  285.952   20.068 30.13391 26.36164 
1 1 1   -8   27   29 o  180.685   11.122  414.108   49.940  407.395   66.305  422.908   75.921  178.059   15.053  180.741   17.022 -2.682236 22.72274 
1 1 1   -8   27   30 o   87.823   13.805  100.451   29.276   96.652   37.140  106.684   47.576   85.039   18.048   88.590   21.682 -3.550789 28.21038 
1 1 1   -8   27   31 o  139.528   11.688  248.458   40.350  277.752   52.794  207.307   62.573  146.724   14.603  124.387   20.885 22.33752 25.48384 
1 1 1   -8   27   32 o  370.674   13.848  1755.48  128.184  1853.32  177.516  1648.88  185.295  377.228   18.844  353.457   21.089 23.77173 28.28184 
1 1 1   -8   27   33 o  213.182   11.249  578.389   59.675  604.709   79.877  545.143   89.774  216.486   14.866  204.075   17.794 12.41187 23.18655 
1 1 1   -8   27   34 o   96.335   13.198  120.775   30.915  108.072   39.029  142.166   50.648   89.534   18.079  102.088   20.578 -12.55449 27.39139 
1 1 1   -8   27   35 o  147.531   11.611  279.058   42.431  270.036   55.599  291.641   65.663  143.551   15.770  148.165   18.125 -4.614182 24.02484 
1 1 1   -8   27   36 o  314.534   12.960  1270.51  101.794  1425.12  141.115  1102.78  146.980  329.264   17.222  286.370   20.692 42.89487 26.92185 
1 1 1   -8   27   37 o  180.599   11.316  418.358   50.778  437.855   68.102  393.950   76.199  182.950   15.040  171.786   18.032 11.16441 23.48060 
1 1 1   -8   27   38 o  210.840   11.598  571.398   60.831  596.320   82.402  541.551   90.178  212.977   15.602  201.148   18.148 11.82976 23.93317 
1 1 1   -8   27   39 o  182.617   11.878  430.389   53.872  403.062   71.732  465.743   81.589  173.967   16.718  186.383   17.744 -12.41605 24.37901 
1 1 1   -8   27   40 o   88.920   14.139  105.261   30.344  112.073   37.911   93.118   50.618   90.482   17.410   80.325   23.646 10.15647 29.36430 
1 1 1   -8   27   41 o  170.822   16.287  389.767   68.634  506.913  147.075  357.153   77.602  177.155   34.486  161.098   19.700 16.05637 39.71663 
1 1 1   -8   27   42 o  105.799   19.913  157.263   50.680  297.472  134.564  134.089   54.708  128.280   38.744   95.741   23.139 32.53864 45.12807 
1 1 1   -8   27   43 o  105.924   20.661  159.981   52.689  138.535  136.904  163.710   57.086   92.218   37.628  106.172   22.243 -13.95316 43.71063 
1 1 1   -8   27   44 o  182.222   18.359  458.738   82.402  552.551  167.261  428.671   94.691  172.842   39.601  172.044   22.586 0.7977905 45.58957 
1 1 1   -8   28    1 o   70.482   15.345   67.023   26.242   49.617   50.543   73.447   30.706   64.382   23.779   73.369   17.079 -8.986893 29.27726 
1 1 1   -8   28    2 o  170.406   16.603  382.693   69.755  332.497   93.630  445.307  104.572  153.621   25.287  179.138   23.978 -25.51636 34.84771 
1 1 1   -8   28    3 o   71.471   15.580   68.599   27.023   58.012   47.737   73.591   32.780   67.345   23.305   73.510   18.001 -6.165138 29.44735 
1 1 1   -8   28    4 o  115.939   11.729  172.894   33.491  178.345   52.216  169.085   43.653  115.275   18.786  113.300   15.864 1.975433 24.58810 
1 1 1   -8   28    5 o  171.341   11.119  374.388   47.316  383.407   69.227  366.479   64.821  171.350   16.378  167.814   15.648 3.536362 22.65198 
1 1 1   -8   28    6 o  116.472   12.252  174.542   35.100  107.814   51.886  230.848   47.662   88.203   23.233  133.386   14.545 -45.18353 27.41066 
1 1 1   -8   28    7 o  217.533   10.973  601.333   59.417  627.240   84.553  576.058   83.513  220.316   15.467  210.853   15.980 9.462708 22.23874 
1 1 1   -8   28    8 o  105.822   15.348  146.534   39.375  144.496   65.680  147.678   49.196  101.631   25.826  104.870   19.503 -3.239304 32.36311 
1 1 1   -8   28    9 o   53.270   17.318   35.755   26.388   76.084   39.444   3.0836   35.502   74.980   20.485   43.877   18.625 31.10278 27.68589 
1 1 1   -8   28   10 o  205.891   10.584  537.400   54.231  572.369   75.879  500.885   77.538  211.138   14.479  196.886   15.906 14.25157 21.50934 
1 1 1   -8   28   11 f  157.844   10.876  316.584   42.607  318.994   59.035  313.964   61.556  157.155   15.234  155.610   16.073 1.544983 22.14511 
1 1 1   -8   28   12 o  153.539   11.015  299.657   41.951  296.255   57.613  303.497   61.206  151.376   15.458  152.954   16.275 -1.577896 22.44560 
1 1 1   -8   28   13 o  188.805   10.558  451.659   49.580  473.678   68.173  426.936   72.237  192.221   14.305  181.809   16.076 10.41119 21.51929 
1 1 1   -8   28   14 o  227.617   10.805  654.656   61.418  655.699   84.326  653.478   89.633  226.090   15.021  225.289   16.037 0.8010254 21.97332 
1 1 1   -8   28   15 o  219.545   16.671  621.915   90.715  650.545  119.104  582.362  139.993  222.113   21.753  206.635   27.839 15.47774 35.32924 
1 1 1   -8   28   16 o   78.660   22.854   83.188   47.561  131.230   55.143 -56.3612   93.982   98.169   22.912   59.528   27.405 38.64082 35.72110 
1 1 1   -8   28   17 f  155.246   10.886  305.845   41.937  279.116   55.768  340.632   63.622  147.072   15.414  162.465   15.885 -15.39352 22.13408 
1 1 1   -8   28   18 o  184.233   10.803  429.977   49.481  457.503   66.514  395.867   74.044  189.093   14.189  174.822   17.183 14.27104 22.28412 
1 1 1   -8   28   19 o  138.312   11.046  243.122   37.834  260.879   49.819  218.927   58.153  142.522   14.187  129.125   18.569 13.39680 23.36800 
1 1 1   -8   28   20 o  124.859   11.394  198.616   35.134  197.691   45.526  199.978   55.247  123.658   15.054  123.342   18.508 0.3154984 23.85690 
1 1 1   -8   28   21 o  255.630   11.423  825.965   72.918  866.715   98.842  777.304  108.011  260.196   15.279  245.301   17.753 14.89497 23.42248 
1 1 1   -8   28   22 o  165.751   10.974  348.401   45.166  342.992   59.552  355.725   69.300  163.445   14.749  165.751   16.983 -2.305130 22.49350 
1 1 1   -8   28   23 o  288.694   12.040  1054.99   86.798  1112.10  118.629  989.188  127.334  294.376   16.200  276.414   18.555 17.96167 24.63171 
1 1 1   -8   28   24 o  103.635   20.831  144.161   52.040   0.0000   0.0000  144.161   52.040  ?   ?   103.635   20.831 0.000000 20.83119 
1 1 1   -8   28   25 o  191.282   13.607  467.354   64.574  498.142   70.914  317.912  156.238  197.215   14.501  145.238   41.183 51.97675 43.66163 
1 1 1   -8   28   26 o  248.927   15.728  795.876   97.268  751.649  139.076  838.222  136.088  237.714   23.746  252.315   21.813 -14.60056 32.24441 
1 1 1   -8   28   27 o  104.357   17.928  144.086   45.036  171.759   69.261  123.815   59.279  111.590   25.423   94.850   24.761 16.74033 35.48839 
1 1 1   -8   28   28 o  240.085   15.595  741.660   92.989  748.468  134.752  735.471  128.485  237.129   23.047  235.630   22.094 1.499115 31.92689 
1 1 1   -8   28   29 o   89.212   19.955  107.678   43.342   74.961   69.833  128.179   55.278   78.159   28.087   96.556   23.212 -18.39706 36.43750 
1 1 1   -8   28   30 o  106.141   13.382  145.859   34.682  157.003   42.661  124.141   59.558  109.355   16.105   94.461   24.897 14.89381 29.65160 
1 1 1   -8   28   31 o  243.134   11.762  751.481   71.410  747.110   95.682  756.977  107.289  240.110   16.050  240.587   17.988 -0.4764099 24.10777 
1 1 1   -8   28   32 o  125.386   12.256  202.221   37.883  172.872   48.490  248.197   60.691  114.059   17.590  136.806   18.218 -22.74664 25.32382 
1 1 1   -8   28   33 o  119.846   12.132  185.067   35.809  189.755   45.967  177.833   57.110  120.159   15.694  114.199   20.792 5.959702 26.05074 
1 1 1   -8   28   34 o  220.512   11.518  621.896   63.204  636.813   84.198  602.640   95.666  221.145   15.341  213.384   18.125 7.760712 23.74588 
1 1 1   -8   28   35 o  218.736   12.144  614.749   66.074  663.339   88.938  554.896   98.708  224.994   15.932  203.177   19.703 21.81689 25.33834 
1 1 1   -8   28   36 o  176.070   11.639  398.676   50.885  421.405   67.097  367.907   78.068  179.280   15.128  165.000   19.312 14.28038 24.53222 
1 1 1   -8   28   37 o   97.162   13.151  123.983   31.089  119.001   38.694  133.054   52.217   93.607   17.187   96.880   22.076 -3.273689 27.97714 
1 1 1   -8   28   38 o  172.003   11.257  381.002   48.087  383.827   63.199  377.117   74.105  170.675   14.980  167.247   18.028 3.428207 23.43965 
1 1 1   -8   28   39 o  182.939   11.532  432.010   52.414  454.038   70.123  404.124   78.899  185.308   15.290  172.489   18.612 12.81906 24.08732 
1 1 1   -8   28   40 o  105.207   12.815  145.447   32.972  127.899   41.032  177.433   55.397   96.460   17.686  112.427   20.487 -15.96650 27.06464 
1 1 1   -8   28   41 o  192.152   11.790  478.829   56.299  424.621   74.850  549.449   85.433  177.309   17.118  201.859   17.109 -24.54961 24.20214 
1 1 1   -8   28   42 o  130.772   18.118  235.628   57.579  299.686  133.984  221.118   63.767  127.118   38.721  124.508   21.273 2.609169 44.17960 
1 1 1   -8   28   43 o  185.940   18.450  477.826   84.537  514.797  162.385  464.081   99.013  166.528   39.623  179.037   22.653 -12.50917 45.64187 
1 1 1   -8   28   44 o  153.119   23.190  346.306   85.895   0.0000   0.0000  346.306   85.895  ?   ?   153.119   23.190 0.000000 23.19004 
1 1 1   -8   29    1 o   26.584   12.067  -9.2033   17.395   5.5930   47.270 -11.5210   18.708   49.237   21.207   27.015   12.359 22.22173 24.54591 
1 1 1   -8   29    2 o   39.158   15.008   14.560   20.550   1.1857   47.426   17.651   22.802   48.447   21.054   41.870   15.866 6.576694 26.36247 
1 1 1   -8   29    3 o  110.480   12.431  158.922   33.699  182.527   58.536  147.221   41.214  114.394   21.274  104.786   16.279 9.608032 26.78776 
1 1 1   -8   29    4 o   96.079   22.327  130.193   52.548  108.373   66.037  167.860   86.764   86.611   27.320  105.075   30.966 -18.46414 41.29442 
1 1 1   -8   29    5 o  150.102   11.216  288.904   41.738  304.847   62.799  276.289   55.860  151.789   16.852  144.978   15.679 6.811111 23.01809 
1 1 1   -8   29    6 o  177.107   11.399  401.402   50.144  342.473   72.052  456.751   69.829  160.462   18.309  187.326   15.055 -26.86368 23.70392 
1 1 1   -8   29    7 o  171.913   10.359  376.328   44.263  402.811   65.028  353.466   60.420  176.083   14.929  164.915   14.830 11.16797 21.04311 
1 1 1   -8   29    8 o  194.882   10.237  482.651   49.643  582.789   71.442  389.154   69.032  212.859   13.510  172.623   16.204 40.23553 21.09719 
1 1 1   -8   29    9 o  152.642   10.833  297.039   41.026  324.039   58.884  271.569   57.192  157.973   15.111  144.097   16.173 13.87640 22.13406 
1 1 1   -8   29   10 o   99.866   15.980  131.588   38.507  178.517   65.402  106.688   47.639  113.580   23.819   88.056   21.785 25.52460 32.27908 
1 1 1   -8   29   11 o   84.255   17.284   95.068   35.146  152.154   58.588   62.977   43.928  105.116   22.962   69.259   22.328 35.85703 32.02859 
1 1 1   -8   29   12 o  208.718   10.871  553.298   56.466  553.570   78.154  553.001   81.671  207.105   15.218  206.670   15.948 0.4353180 22.04411 
1 1 1   -8   29   13 o  183.706   10.812  428.706   49.382  457.784   68.136  396.530   71.673  188.564   14.583  174.617   16.638 13.94740 22.12466 
1 1 1   -8   29   14 o   60.129   17.182   47.907   27.088   55.150   37.060   39.599   39.691   64.983   20.462   58.808   21.171 6.175369 29.44323 
1 1 1   -8   29   15 o  169.264   10.915  364.044   45.891  394.489   62.308  327.950   67.844  175.141   14.373  158.479   17.431 16.66269 22.59274 
1 1 1   -8   29   16 o  179.820   10.870  410.526   48.583  404.697   65.500  417.656   72.436  177.242   14.938  179.547   16.334 -2.304413 22.13498 
1 1 1   -8   29   17 o  216.206   13.283  597.157   71.371  637.200   81.854  470.175  145.762  222.766   14.799  181.200   33.446 41.56544 36.57320 
1 1 1   -8   29   18 o  160.380   17.457  335.340   68.785  351.197   84.247  303.634  119.130  162.574   21.261  144.846   33.588 17.72787 39.75180 
1 1 1   -8   29   19 o   99.235   13.335  127.427   32.209  111.310   41.633  151.457   50.835   91.118   18.916  106.355   19.871 -15.23694 27.43497 
1 1 1   -8   29   20 o  129.066   11.480  212.541   36.614  209.633   47.582  216.763   57.327  127.135   15.294  128.268   18.427 -1.133583 23.94701 
1 1 1   -8   29   21 o  125.547   11.644  201.318   36.092  181.646   46.483  231.182   57.272  117.947   16.210  132.790   17.713 -14.84332 24.01089 
1 1 1   -8   29   22 o  198.769   11.193  501.546   55.334  573.535   73.834  409.307   83.576  211.627   14.051  176.611   19.262 35.01579 23.84271 
1 1 1   -8   29   23 o  148.050   13.564  281.395   49.589  247.666   75.993  306.407   65.442  135.249   23.344  153.235   17.411 -17.98651 29.12203 
1 1 1   -8   29   24 o   98.676   13.689  126.323   32.823  115.405   41.151  145.417   54.418   92.918   18.386  103.482   21.749 -10.56419 28.47911 
1 1 1   -8   29   25 o  211.196   11.187  566.427   58.790  578.865   77.586  549.656   90.091  212.217   14.732  205.459   17.733 6.758423 23.05391 
1 1 1   -8   29   26 o  215.997   11.387  593.058   61.205  632.555   80.992  540.473   93.452  221.801   14.706  203.165   18.627 18.63647 23.73287 
1 1 1   -8   29   27 o  213.779   11.151  580.906   59.325  550.884   78.026  622.041   91.333  206.589   15.232  218.812   16.844 -12.22345 22.71014 
1 1 1   -8   29   28 o  131.208   11.921  220.603   38.632  203.203   49.160  248.699   62.468  124.539   16.190  136.951   18.759 -12.41154 24.77962 
1 1 1   -8   29   29 o  197.047   11.423  494.999   55.966  504.612   73.443  481.685   86.428  197.502   15.003  191.326   18.313 6.176697 23.67444 
1 1 1   -8   29   30 o  122.844   17.022  199.498   50.815  137.405   77.621  246.067   67.222   97.694   29.408  135.060   20.582 -37.36606 35.89483 
1 1 1   -8   29   31 o  135.004   16.271  239.764   53.748  297.692   84.264  200.030   69.788  146.755   23.809  119.583   24.201 27.17226 33.94915 
1 1 1   -8   29   32 o  175.695   15.453  403.206   67.110  448.137  103.563  370.680   88.115  180.318   23.563  164.814   21.956 15.50484 32.20638 
1 1 1   -8   29   33 o  143.313   16.359  271.432   57.496  283.965   93.158  263.721   73.074  140.018   27.624  138.363   21.877 1.655365 35.23767 
1 1 1   -8   29   34 o   84.047   21.056   99.017   44.099  178.688   80.930   65.371   52.593  109.160   29.143   70.319   24.454 38.84068 38.04318 
1 1 1   -8   29   35 o   53.759   17.054   38.034   25.704   42.971   30.933   27.020   46.203   57.239   18.757   55.383   22.122 1.855389 29.00368 
1 1 1   -8   29   36 o  122.293   12.762  195.087   38.400  215.748   47.661  156.861   64.828  127.541   15.268  103.405   25.310 24.13580 29.55889 
1 1 1   -8   29   37 o   52.876   16.474   37.206   24.093   50.559   28.618   4.7123   44.642   60.748   17.750   48.016   20.645 12.73218 27.22667 
1 1 1   -8   29   38 o   42.466   15.830   19.270   22.502   30.298   26.246 -11.3266   43.716   49.491   17.271   43.560   19.506 5.931381 26.05340 
1 1 1   -8   29   39 o  133.394   12.083  231.813   39.811  251.306   51.081  201.652   63.541  137.358   15.144  118.721   22.250 18.63747 26.91467 
1 1 1   -8   29   40 o  225.887   11.196  657.825   63.153  591.529   83.191  747.992   97.019  210.332   15.958  236.038   16.565 -25.70615 23.00087 
1 1 1   -8   29   41 o  184.680   12.157  444.898   55.751  396.613   69.768  530.198   92.731  171.276   16.517  195.663   19.227 -24.38719 25.34717 
1 1 1   -8   29   42 o   89.590   24.536  122.280   56.508  142.699  147.279  118.755   61.191   91.467   38.329   87.475   26.061 3.992065 46.34973 
1 1 1   -8   29   43 o  201.270   18.390  563.421   91.411  720.870  173.546  502.966  107.537  202.750   35.574  183.818   24.000 18.93156 42.91317 
1 1 1   -8   30    1 o   80.441   14.450   88.195   27.960  202.299   59.811   56.286   31.629  118.219   21.031   62.927   18.734 55.29260 28.16496 
1 1 1   -8   30    2 o   66.153   16.100   60.817   26.344   64.903   53.310   59.497   30.302   68.289   24.540   64.967   18.038 3.321815 30.45645 
1 1 1   -8   30    3 f  131.865   11.875  226.717   38.684  249.327   63.637  213.465   48.719  133.738   19.640  125.893   15.848 7.845711 25.23652 
1 1 1   -8   30    4 o   65.914   16.077   59.739   26.226   38.661   49.982   67.747   30.808   59.694   23.263   69.787   17.662 -10.09275 29.20817 
1 1 1   -8   30    5 o  131.394   11.659  223.640   37.858  244.033   60.858  210.767   48.353  133.696   18.743  125.694   15.751 8.001724 24.48260 
1 1 1   -8   30    6 o  124.074   20.808  213.438   62.189  141.430   77.391  344.678  104.480   96.589   29.430  152.435   28.495 -55.84571 40.96416 
1 1 1   -8   30    7 o   54.789   16.941   39.794   25.533   33.184   46.101   42.720   30.666   57.475   22.357   57.152   18.673 0.3232574 29.12951 
1 1 1   -8   30    8 f  156.409   11.239  313.904   43.605  312.058   64.647  315.445   59.063  153.257   17.188  154.967   15.469 -1.709976 23.12417 
1 1 1   -8   30    9 o  122.051   12.318  192.569   37.030  147.969   54.871  229.867   50.178  103.054   21.992  132.221   15.491 -29.16647 26.90004 
1 1 1   -8   30   10 o  148.134   11.120  280.936   40.836  315.363   59.082  249.447   56.505  155.283   15.441  137.355   16.825 17.92795 22.83692 
1 1 1   -8   30   11 o   95.022   13.658  118.127   31.478   81.201   46.546  149.249   42.732   76.731   22.700  105.950   16.704 -29.21899 28.18345 
1 1 1   -8   30   12 o  172.073   13.978  382.705   59.546  443.449   91.977  338.876   78.129  181.857   20.618  158.996   20.128 22.86018 28.81408 
1 1 1   -8   30   13 o  192.008   14.124  475.828   67.248  533.298  100.633  429.458   90.394  199.900   20.447  179.133   20.581 20.76630 29.01182 
1 1 1   -8   30   14 o  128.732   11.501  212.306   36.582  229.646   51.126  194.113   52.367  132.511   15.759  120.895   17.886 11.61562 23.83822 
1 1 1   -8   30   15 o   96.742   13.486  121.856   31.693  101.978   44.300  142.697   45.361   86.253   20.808  103.254   18.260 -17.00108 27.68388 
1 1 1   -8   30   16 o   72.636   16.289   70.717   28.818   55.211   39.660   88.061   41.945   65.195   21.233   80.225   20.773 -15.02945 29.70452 
1 1 1   -8   30   17 o  132.142   11.718  223.581   38.267  241.079   50.676  200.364   58.372  136.156   15.162  122.261   19.796 13.89466 24.93503 
1 1 1   -8   30   18 o  102.689   12.909  136.462   32.371  117.751   42.569  162.116   49.846   93.475   18.887  110.120   18.801 -16.64538 26.64945 
1 1 1   -8   30   19 o  152.799   11.422  297.964   43.267  303.133   56.656  290.731   67.019  152.941   15.029  148.383   18.488 4.557999 23.82571 
1 1 1   -8   30   20 o   96.261   22.473  127.595   53.038  143.811   60.076   70.299  112.926  101.769   24.025   85.119   34.377 16.65020 41.94052 
1 1 1   -8   30   21 o  136.312   13.993  240.118   46.956  278.616   72.482  212.275   61.641  144.238   20.718  125.753   20.322 18.48515 29.02108 
1 1 1   -8   30   22 f  137.332   11.888  241.484   40.368  242.536   52.793  240.004   62.638  136.363   15.796  134.305   19.225 2.058258 24.88201 
1 1 1   -8   30   23 o  165.195   11.252  347.933   46.140  427.373   60.638  238.686   71.109  182.404   13.406  132.535   22.276 49.86894 25.99876 
1 1 1   -8   30   24 o   91.379   14.770  109.786   32.554  109.361   39.840  110.642   56.471   90.104   18.330   89.069   24.584 1.034485 30.66544 
1 1 1   -8   30   25 o  229.861   11.342  671.464   65.103  688.188   86.048  649.073   99.563  230.752   15.015  222.384   18.085 8.368195 23.50548 
1 1 1   -8   30   26 o  320.484   12.708  1312.07  101.704  1322.03  138.219  1300.31  150.189  318.107   17.467  313.997   19.247 4.110016 25.99095 
1 1 1   -8   30   27 f  232.339   11.298  686.794   65.550  658.383   86.387  725.356  100.642  225.193   15.455  235.334   17.246 -10.14078 23.15767 
1 1 1   -8   30   28 o  153.958   11.399  303.458   43.512  306.424   55.732  298.828   69.633  153.467   14.723  149.545   19.081 3.922348 24.10118 
1 1 1   -8   30   29 o   76.348   15.917   78.325   29.363   92.705   36.517   52.016   49.393   82.511   18.211   65.383   23.606 17.12765 29.81390 
1 1 1   -8   30   30 o  260.354   11.970  867.123   77.822  930.781  103.875  785.678  117.494  267.090   15.642  242.381   19.579 24.70926 25.06027 
1 1 1   -8   30   31 o   70.421   16.304   67.286   28.105   71.059   34.734   60.131   47.832   71.820   19.053   67.778   23.335 4.041847 30.12550 
1 1 1   -8   30   32 o   90.514   14.162  108.455   30.960  101.775   38.614  120.479   51.809   86.048   18.519   92.097   22.678 -6.049889 29.27842 
1 1 1   -8   30   33 o  136.006   12.218  239.721   41.053  255.549   52.617  215.096   65.632  139.003   15.418  123.911   22.017 15.09219 26.87897 
1 1 1   -8   30   34 o   73.894   21.774   77.126   42.902   33.813   74.808   98.352   52.370   65.731   27.412   82.474   23.987 -16.74269 36.42532 
1 1 1   -8   30   35 o   78.325   21.897   87.739   44.495   75.112   78.854   93.637   53.895   76.203   29.352   80.270   24.579 -4.066971 38.28366 
1 1 1   -8   30   36 o  121.143   18.558  201.563   54.351  204.920   94.827  199.920   66.327  112.623   32.137  117.650   23.400 -5.026657 39.75291 
1 1 1   -8   30   37 o   63.799   22.058   54.675   42.763  129.552   87.447   31.142   49.024   90.783   31.535   56.963   22.775 33.81922 38.89919 
1 1 1   -8   30   38 o   70.521   22.772   70.847   45.675   35.221   92.314   82.395   52.559   69.085   29.695   75.265   24.439 -6.180626 38.45893 
1 1 1   -8   30   39 o   61.127   22.647   47.138   45.911 -84.5228   97.444   84.703   52.050   53.767   25.708   75.898   24.288 -22.13158 35.36697 
1 1 1   -8   30   40 o  123.066   20.577  215.497   61.005  200.770  120.374  220.586   70.766  104.550   36.950  121.868   24.107 -17.31796 44.11827 
1 1 1   -8   30   41 o  124.709   20.588  222.632   61.877  211.467  122.091  226.491   71.778  105.553   37.222  122.876   24.253 -17.32339 44.42630 
1 1 1   -8   30   42 o  152.278   19.264  327.576   71.617  374.747  139.808  310.794   83.388  138.848   38.813  143.877   24.059 -5.028397 45.66533 
1 1 1   -8   30   43 o  114.927   25.785  208.060   72.182   0.0000   0.0000  208.060   72.182  ?   ?   114.927   25.785 0.000000 25.78531 
1 1 1   -8   31    1 o   63.639   16.147   57.942   25.702   86.404   55.789   50.274   28.958   73.355   25.204   58.942   18.011 14.41375 30.97850 
1 1 1   -8   31    2 o  109.788   16.027  167.270   42.645  344.558  112.047  137.238   46.115  138.926   32.819   96.824   19.742 42.10258 38.29957 
1 1 1   -8   31    3 o   92.740   14.603  117.312   32.700  168.504   60.939   96.611   38.752  104.987   23.794   81.530   19.328 23.45662 30.65479 
1 1 1   -8   31    4 o   84.391   14.655   97.052   29.763  103.090   54.896   94.539   35.420   81.908   24.748   81.731   17.854 0.1771164 30.51626 
1 1 1   -8   31    5 o   87.884   14.039  103.972   29.774  140.416   56.076   89.665   35.135   97.014   23.415   79.720   18.067 17.29352 29.57438 
1 1 1   -8   31    6 o   85.995   14.848  100.037   30.733  104.386   54.652   98.026   37.166   83.520   24.566   83.574   18.314 -0.5361938E-01 30.64113 
1 1 1   -8   31    7 o  142.175   11.921  262.919   41.935  283.101   64.829  248.398   54.988  143.723   18.492  135.698   16.571 8.024506 24.83091 
1 1 1   -8   31    8 o  105.143   23.746  160.822   60.875  149.693   74.692  182.839  105.056   98.612   28.637  105.108   34.573 -6.495552 44.89299 
1 1 1   -8   31    9 o   52.211   16.887   35.667   25.110   56.953   44.975   26.027   30.266   65.473   22.622   48.946   18.337 16.52643 29.12090 
1 1 1   -8   31   10 o  206.411   10.829  546.244   55.622  659.862   80.034  440.101   77.357  224.764   14.334  181.562   17.270 43.20262 22.44345 
1 1 1   -8   31   11 o   84.735   14.685   95.770   29.947   74.738   47.075  110.068   38.814   73.263   23.061   89.734   17.948 -16.47131 29.22232 
1 1 1   -8   31   12 o  107.763   12.759  151.293   33.667  170.675   49.911  135.112   45.605  112.191   18.457   99.299   19.085 12.89173 26.55000 
1 1 1   -8   31   13 o   47.176   16.885   25.700   25.212   29.550   40.708   23.305   32.113   54.540   21.066   48.842   18.752 5.698269 28.20302 
1 1 1   -8   31   14 o   57.082   17.564   43.201   27.484   39.304   42.829   45.930   35.837   58.874   21.861   59.845   20.205 -0.9706612 29.76806 
1 1 1   -8   31   15 f   47.649   18.131   22.519   29.853   11.838   53.184   27.432   36.072   54.238   22.896   52.168   19.911 2.070000 30.34247 
1 1 1   -8   31   16 f  111.961   12.699  162.550   34.877  167.921   48.337  156.718   50.372  111.875   17.906  107.331   19.513 4.544411 26.48330 
1 1 1   -8   31   17 o   70.686   16.949   67.732   29.531   81.088   40.169   52.024   43.564   76.648   20.561   64.151   22.259 12.49738 30.30217 
1 1 1   -8   31   18 o  118.874   12.352  182.523   36.131  195.254   48.170  166.148   54.631  121.570   16.276  110.207   20.608 11.36330 26.26035 
1 1 1   -8   31   19 o   49.905   17.387   29.822   26.594 -24.3930   35.369  100.341   40.339   36.396   16.777   85.612   19.326 -49.21587 25.59226 
1 1 1   -8   31   20 o  195.271   11.353  487.323   55.121  569.663   73.907  384.117   82.744  209.855   14.187  169.205   19.967 40.64925 24.49392 
1 1 1   -8   31   21 o  115.831   12.563  173.551   35.755  126.824   46.158  243.650   56.536   96.292   19.855  135.686   17.063 -39.39387 26.17958 
1 1 1   -8   31   22 o  129.852   20.766  229.350   65.068  277.811   74.371   71.179  134.361  142.742   21.534   87.456   36.627 55.28675 42.48803 
1 1 1   -8   31   23 o  212.792   21.966  614.268  115.044  614.268  115.044   0.0000   0.0000  212.792   21.966  ?   ?  0.000000 21.96610 
1 1 1   -8   31   24 o  142.560   14.165  264.439   49.761  312.638   75.794  227.926   65.969  151.992   20.492  129.094   21.200 22.89784 29.48454 
1 1 1   -8   31   25 o  182.665   11.278  427.050   51.191  452.561   66.642  390.331   79.952  186.645   14.410  170.789   19.072 15.85617 23.90376 
1 1 1   -8   31   26 o   95.254   13.667  119.076   31.577   90.184   39.543  169.930   52.461   80.783   19.764  111.703   19.518 -30.92033 27.77675 
1 1 1   -8   31   27 o  116.137   12.293  174.730   35.109  145.539   44.022  225.748   58.197  103.914   17.592  129.473   18.528 -25.55905 25.54985 
1 1 1   -8   31   28 o   93.957   13.976  116.421   31.794  116.755   39.730  115.827   53.017   92.666   17.816   90.173   23.357 2.493126 29.37657 
1 1 1   -8   31   29 o  200.725   11.009  516.364   54.972  491.847   71.025  552.994   86.814  193.902   14.780  204.058   17.197 -10.15578 22.67539 
1 1 1   -8   31   30 o  129.566   11.982  217.401   38.329  218.463   48.126  215.560   63.383  128.469   15.302  124.566   21.131 3.902901 26.09028 
1 1 1   -8   31   31 o  117.227   12.398  178.992   35.744  187.061   44.952  165.119   58.942  118.511   15.566  107.659   22.642 10.85172 27.47658 
1 1 1   -8   31   32 o  128.858   12.081  215.790   38.420  216.801   48.433  214.074   63.099  127.582   15.522  123.599   21.207 3.982880 26.28061 
1 1 1   -8   31   33 o  172.004   11.388  382.158   48.639  389.890   62.291  370.081   77.853  171.897   14.651  164.258   19.351 7.639236 24.27211 
1 1 1   -8   31   34 o   97.491   13.866  126.341   32.806  146.506   40.831   89.613   55.104  104.012   16.252   78.293   24.984 25.71870 29.80469 
1 1 1   -8   31   35 o   74.356   16.048   75.973   28.924   64.113   35.114  101.006   51.013   67.455   19.648   82.835   23.548 -15.38007 30.66840 
1 1 1   -8   31   36 o   59.163   16.914   48.330   26.242   44.385   31.231   57.802   48.397   57.401   18.849   65.569   23.401 -8.168526 30.04853 
1 1 1   -8   31   37 o   59.754   17.107   49.511   26.825   48.744   31.916   51.357   49.508   59.547   19.015   63.289   23.503 -3.741859 30.23192 
1 1 1   -8   31   38 o   52.794   21.094   26.707   42.018  -0.9840   87.526   35.000   47.899   61.030   27.444   57.298   22.639 3.732822 35.57652 
1 1 1   -8   31   39 o  156.523   17.686  337.392   67.915  332.432  122.766  339.579   81.527  136.794   35.596  153.416   21.902 -16.62148 41.79472 
1 1 1   -8   31   40 o   65.427   23.136   60.268   47.203  176.138  102.452   29.045   53.184   98.851   34.145   56.575   23.310 42.27564 41.34286 
1 1 1   -8   31   41 o  123.488   21.324  222.946   63.380  179.711  122.946  238.594   73.965   96.171   36.746  124.932   24.584 -28.76091 44.21111 
1 1 1   -8   31   42 o   66.684   25.217   63.203   57.529   0.0000   0.0000   63.203   57.529  ?   ?    66.684   25.217 0.000000 25.21735 
1 1 1   -8   32    1 o   55.863   16.478   45.751   24.558   10.693   57.520   53.567   27.158   50.613   22.540   60.003   17.223 -9.390263 28.36667 
1 1 1   -8   32    2 o   43.870   15.769   24.679   22.013   40.614   54.636   21.591   24.051   57.521   23.655   42.938   16.289 14.58293 28.72052 
1 1 1   -8   32    3 o   39.902   15.081   17.848   20.567   54.814   52.759   11.224   22.334   62.004   23.973   37.583   15.250 24.42099 28.41258 
1 1 1   -8   32    4 o   27.304   12.371  -8.0753   18.182   42.776   98.690  -9.8619   18.499   66.896   29.672   26.996   12.327 39.90025 32.13059 
1 1 1   -8   32    5 o   53.740   16.432   40.430   24.097  108.102   54.239   23.787   26.898   82.516   24.525   45.582   17.242 36.93368 29.97938 
1 1 1   -8   32    6 o  136.335   11.931  245.100   40.211  298.229   65.954  213.665   50.731  145.317   18.602  124.086   16.804 21.23077 25.06804 
1 1 1   -8   32    7 o  151.973   11.327  301.741   42.679  382.408   68.714  251.076   54.457  167.048   16.696  135.289   16.458 31.75911 23.44411 
1 1 1   -8   32    8 o   52.267   16.835   36.840   24.976  -8.8560   48.197   53.617   29.203   45.642   20.457   61.718   17.902 -16.07608 27.18358 
1 1 1   -8   32    9 o   46.106   16.743   25.093   24.901  -8.4015   45.731   39.209   29.688   44.784   20.010   54.410   18.390 -9.625698 27.17664 
1 1 1   -8   32   10 o   42.585   19.466 -20.7790   46.280   8.0606   52.936 -114.3147   95.334   51.857   22.389   50.303   24.393 1.554142 33.11013 
1 1 1   -8   32   11 o   60.885   16.647   51.173   26.036   94.853   44.890   29.030   31.961   80.980   21.741   50.562   18.863 30.41756 28.78352 
1 1 1   -8   32   12 o  113.590   12.410  168.803   34.630  202.657   52.629  142.953   45.988  121.849   17.823  101.493   18.839 20.35559 25.93401 
1 1 1   -8   32   13 o  128.308   11.560  213.417   36.640  263.685   54.527  172.032   49.475  140.608   15.803  112.008   18.322 28.60020 24.19556 
1 1 1   -8   32   14 o   48.486   17.256   28.092   26.299   62.874   42.140   5.9026   33.658   67.537   21.880   42.968   18.181 24.56884 28.44737 
1 1 1   -8   32   15 o   70.483   16.393   67.979   28.309  109.931   42.843   35.469   37.715   88.654   19.847   55.397   20.525 33.25758 28.55158 
1 1 1   -8   32   16 o  114.862   12.381  171.756   34.952  193.673   49.461  149.893   49.398  120.022   16.976  104.052   19.733 15.96992 26.03047 
1 1 1   -8   32   17 o   95.737   16.816  123.963   38.735  187.141   62.797   85.162   49.213  115.029   22.668   77.457   23.439 37.57162 32.60670 
1 1 1   -8   32   18 o   52.401   17.457   35.148   26.752   28.088   37.500   42.465   38.175   52.615   20.248   58.536   20.795 -5.920231 29.02466 
1 1 1   -8   32   19 o   58.661   17.529   46.416   27.652   12.393   37.564   86.663   40.855   47.199   19.532   78.632   20.570 -31.43229 28.36634 
1 1 1   -8   32   20 o  157.537   11.447  319.413   44.726  335.769   59.629  298.374   67.629  159.807   15.122  148.671   18.625 11.13644 23.99077 
1 1 1   -8   32   21 o   98.488   16.775  130.758   39.779  131.616   62.719  130.180   51.452   94.900   25.791   96.013   21.939 -1.113213 33.86040 
1 1 1   -8   32   22 o   46.641   18.848   15.761   33.967   15.761   33.967   0.0000   0.0000   46.641   18.848  ?   ?  0.000000 18.84807 
1 1 1   -8   32   23 o  226.732   11.737  661.141   66.227  704.186   87.841  604.444  100.812  231.716   15.266  211.615   19.289 20.10043 24.59931 
1 1 1   -8   32   24 o  149.927   11.808  290.211   43.852  315.716   56.369  251.115   69.791  155.033   14.737  134.441   21.514 20.59222 26.07736 
1 1 1   -8   32   25 o  276.982   20.391  1044.28  140.045  1242.62  179.605  736.657  223.677  297.038   24.430  201.955   45.450 95.08281 51.59964 
1 1 1   -8   32   26 o  122.948   15.161  200.410   45.562  233.830   65.519  169.115   63.403  129.771   20.930  108.233   24.080 21.53783 31.90448 
1 1 1   -8   32   27 o   30.770   14.028 -13.3683   23.836 -12.9677   29.655 -14.0993   40.063   35.069   15.853   41.125   18.523 -6.056309 24.38086 
1 1 1   -8   32   28 o  149.318   11.416  288.069   42.245  246.451   53.411  357.614   69.043  135.828   16.057  163.162   17.205 -27.33472 23.53374 
1 1 1   -8   32   29 o  127.881   11.891  212.544   37.539  208.798   47.048  219.106   62.273  125.129   15.380  125.223   20.633 -0.9352875E-01 25.73503 
1 1 1   -8   32   30 o   80.632   15.141   88.023   29.367   72.806   36.314  116.784   49.924   71.819   19.669   89.816   22.349 -17.99651 29.77192 
1 1 1   -8   32   31 o  128.755   11.995  216.080   38.122  230.739   47.885  190.708   62.996  131.676   14.820  114.945   22.752 16.73077 27.15314 
1 1 1   -8   32   32 o  114.056   12.714  171.023   35.596  156.328   44.184  198.198   60.086  106.869   17.135  118.101   21.150 -11.23119 27.22054 
1 1 1   -8   32   33 o  153.027   11.448  304.123   43.430  300.897   54.651  309.651   71.544  150.334   14.747  149.053   19.704 1.281525 24.61184 
1 1 1   -8   32   34 o  164.505   11.632  351.992   47.475  371.193   60.242  320.524   77.121  167.080   14.585  150.346   21.124 16.73462 25.66991 
1 1 1   -8   32   35 o  141.500   12.060  261.882   42.206  246.551   52.594  289.615   70.737  135.062   15.898  143.245   20.347 -8.182983 25.82147 
1 1 1   -8   32   36 o  126.907   12.235  211.510   38.295  207.424   47.612  218.995   64.447  123.715   15.770  123.073   21.766 0.6422653 26.87843 
1 1 1   -8   32   37 o  116.181   13.138  179.199   37.448  208.509   46.467  124.892   63.251  124.164   15.311   89.233   26.476 34.93072 30.58415 
1 1 1   -8   32   38 o  122.545   12.974  199.315   39.098  199.407   48.635  199.148   65.740  120.386   16.621  115.163   23.651 5.222450 28.90723 
1 1 1   -8   32   39 o   26.826   12.384 -13.4401   19.383 -15.4784   21.248  -3.3323   47.316   27.810   12.883   46.138   20.501 -18.32770 24.21307 
1 1 1   -8   32   40 o   43.946   16.364   22.239   24.031   19.272   26.931   33.834   53.236   43.728   17.066   57.332   23.437 -13.60397 28.99186 
1 1 1   -8   32   41 o   70.836   23.888   77.051   50.091  167.888  108.258   52.306   56.504   92.778   34.696   62.918   24.674 29.86029 42.57465 
1 1 1   -8   33    1 o   46.650   20.984   6.6097   51.214   11.551   63.534  -2.5586   86.539   50.801   23.061   53.444   25.160 -2.642807 34.12987 
1 1 1   -8   33    2 o   52.793   16.369   41.219   23.818   82.058   58.463   33.092   26.081   67.851   25.473   48.436   17.190 19.41458 30.73042 
1 1 1   -8   33    3 o   39.862   15.382   17.823   21.688   11.098   56.047   19.008   23.520   49.870   22.226   41.141   15.979 8.728481 27.37378 
1 1 1   -8   33    4 o   28.579   12.706  -3.7385   18.198 -19.6421   54.097  -1.7093   19.324   43.948   20.428   30.183   13.270 13.76592 24.35933 
1 1 1   -8   33    5 f   70.076   15.743   70.666   26.877  144.708   57.914   50.342   30.342   93.312   24.530   58.303   18.532 35.00935 30.74379 
1 1 1   -8   33    6 o   35.623   14.768   7.7656   21.527  107.090  101.462   3.0836   22.029   76.979   31.998   34.060   14.569 42.91906 35.15904 
1 1 1   -8   33    7 o   50.053   16.359   34.594   23.536   87.496   53.120   21.673   26.254   73.802   24.599   44.125   16.952 29.67709 29.87433 
1 1 1   -8   33    8 o   43.026   15.901   21.855   22.606 -22.4722   49.729   33.400   25.379   42.817   19.791   49.834   17.002 -7.017612 26.09139 
1 1 1   -8   33    9 o   28.919   12.965  -6.4978   19.374   4.3058   49.460  -8.4558   21.056   48.417   21.259   29.623   13.378 18.79374 25.11820 
1 1 1   -8   33   10 o   62.963   16.788   56.203   26.878   54.895   49.695   56.744   31.956   63.309   23.540   62.843   18.858 0.4660149 30.16249 
1 1 1   -8   33   11 o   49.773   16.931   32.541   25.165   71.655   45.999   15.833   30.063   69.675   22.875   43.893   17.734 25.78276 28.94427 
1 1 1   -8   33   12 o   41.015   19.105 -31.1367   47.718 -48.0481   53.944   29.700  102.314   41.289   19.566   68.525   30.312 -27.23592 36.07825 
1 1 1   -8   33   13 o   39.303   15.630   12.834   22.968  -5.5636   43.021   20.169   27.163   44.021   19.555   44.584   17.212 -0.5634613 26.05074 
1 1 1   -8   33   14 o   46.116   16.619   25.428   24.466   43.932   42.635   16.344   29.874   59.053   21.835   44.291   17.754 14.76140 28.14173 
1 1 1   -8   33   15 o   34.940   14.988   1.1794   23.431 -25.7130   40.138   15.082   28.859   38.301   17.730   43.385   17.429 -5.084732 24.86251 
1 1 1   -8   33   16 o  100.466   13.491  134.085   32.990  145.771   49.181  124.525   44.482  101.389   20.135   93.799   19.621 7.589905 28.11419 
1 1 1   -8   33   17 o   84.306   15.168   96.380   30.759  117.847   44.995   77.547   42.143   90.930   20.326   73.414   21.566 17.51583 29.63520 
1 1 1   -8   33   18 o   37.001   15.553   4.8073   24.374   9.6842   36.685   0.9529   32.613   45.441   19.090   40.641   17.560 4.799900 25.93798 
1 1 1   -8   33   19 o  130.506   15.369  227.694   49.126  229.002   76.645  226.782   64.001  124.151   25.573  126.857   20.934 -2.705933 33.04862 
1 1 1   -8   33   20 o   70.623   21.977   70.857   42.891   0.0000   0.0000   70.857   42.891  ?   ?    70.623   21.977 0.000000 21.97695 
1 1 1   -8   33   21 o   78.372   19.742   87.052   38.617   93.702   40.313   12.994  134.535   81.232   20.005   74.683   33.763 6.548752 39.24458 
1 1 1   -8   33   22 o  100.703   13.599  134.411   33.324  164.685   44.086   94.058   50.898  110.230   16.525   80.164   23.742 30.06634 28.92720 
1 1 1   -8   33   23 o  128.532   12.179  215.532   38.623  199.924   50.238  238.091   60.397  121.320   17.053  131.380   18.958 -10.05949 25.49934 
1 1 1   -8   33   24 o   73.846   16.650   75.317   29.970   67.517   38.629   87.111   47.501   69.072   20.735   77.423   22.938 -8.351143 30.92071 
1 1 1   -8   33   25 o   78.282   16.130   84.079   30.483   67.953   38.635  110.674   49.616   69.224   20.727   87.055   22.618 -17.83141 30.67887 
1 1 1   -8   33   26 o  171.796   11.486  382.590   48.990  432.809   63.400  308.171   77.179  181.099   14.131  147.471   21.598 33.62766 25.80991 
1 1 1   -8   33   27 o   86.764   18.228  105.282   38.239   99.752   39.589  182.262  147.708   83.918   19.295  100.490   39.739 -16.57151 44.17538 
1 1 1   -8   33   28 f  119.975   20.969  204.783   60.534  223.353   65.652   99.408  156.392  124.761   21.870   87.454   38.116 37.30668 43.94467 
1 1 1   -8   33   29 o   81.038   18.209   92.412   35.951   89.276   49.483   95.917   52.319   77.701   23.501   80.178   24.146 -2.477524 33.69421 
1 1 1   -8   33   30 o   52.357   17.481   36.209   26.822   55.444   32.900  -1.9130   46.318   62.833   19.198   46.542   20.501 16.29122 28.08636 
1 1 1   -8   33   31 o   75.095   16.319   78.272   29.728   69.745   36.300   95.638   51.805   69.721   19.879   79.833   24.024 -10.11202 31.18194 
1 1 1   -8   33   32 o  121.660   12.521  195.062   37.495  186.889   46.534  210.190   63.310  116.948   16.384  120.363   21.869 -3.414413 27.32551 
1 1 1   -8   33   33 o  107.131   13.177  152.632   34.508  154.023   42.347  149.882   59.537  105.838   16.566   99.491   24.197 6.346764 29.32402 
1 1 1   -8   33   34 o  158.641   11.704  328.990   46.038  325.458   57.746  335.151   76.265  155.550   15.055  153.492   20.402 2.057297 25.35552 
1 1 1   -8   33   35 o   60.803   17.247   52.056   27.396   48.493   32.500   60.803   50.923   59.017   19.221   66.021   23.948 -7.004250 30.70766 
1 1 1   -8   33   36 o  139.812   12.199  257.589   42.165  246.202   52.340  278.643   71.169  134.259   15.922  138.600   21.240 -4.340820 26.54473 
1 1 1   -8   33   37 o   74.882   16.263   78.709   29.540   58.172   34.643  133.420   56.543   63.522   19.749   92.824   24.159 -29.30228 31.20377 
1 1 1   -8   33   38 o   67.913   17.142   65.884   29.074   79.183   34.370   32.421   54.519   73.837   18.638   57.207   23.589 16.63059 30.06411 
1 1 1   -8   33   39 o  158.411   12.478  333.338   48.960  349.461   61.388  305.153   81.163  159.593   15.603  141.104   23.886 18.48878 28.53061 
1 1 1   -8   33   40 o   53.968   21.905   30.945   46.097   34.881   91.572   29.609   53.349   64.749   28.657   55.525   23.152 9.223972 36.84076 
1 1 1   -8   34    1 f   53.705   23.002   42.204   55.040   24.304   68.159   75.753   93.313   51.913   23.689   61.732   27.994 -9.818855 36.67142 
1 1 1   -8   34    2 o   44.184   20.331  -2.7306   51.636  -0.5900   63.899  -6.7590   87.660   47.844   22.226   51.781   24.654 -3.936947 33.19364 
1 1 1   -8   34    3 o   53.098   22.812   34.131   54.433   50.404   67.309   3.3718   92.537   58.367   25.223   54.521   25.774 3.846390 36.06220 
1 1 1   -8   34    4 o   36.661   14.857   12.171   21.171   14.927   56.758   11.725   22.818   49.924   22.300   37.269   15.302 12.65490 27.04495 
1 1 1   -8   34    5 o   35.320   14.598   9.0850   20.944   26.940   58.506   6.4605   22.431   53.316   23.273   35.078   14.842 18.23783 27.60291 
1 1 1   -8   34    6 o   35.305   14.476   9.4666   20.387  -8.2378   56.008   12.171   21.888   46.174   21.220   37.299   15.110 8.875221 26.04987 
1 1 1   -8   34    7 o   24.581   11.398 -11.8481   16.689 -48.2007   52.500  -7.7617   17.602   38.970   18.696   26.680   12.122 12.28947 22.28134 
1 1 1   -8   34    8 o   99.338   16.943  142.768   40.522  264.386  115.226  125.604   43.287  107.567   36.230   90.929   19.638 16.63857 41.21007 
1 1 1   -8   34    9 o   39.329   15.323   15.929   21.680   16.198   53.626   15.876   23.704   51.389   22.360   40.221   15.915 11.16792 27.44527 
1 1 1   -8   34   10 o   35.495   14.773   7.1879   21.666   10.894   49.489   6.3091   24.098   49.142   21.429   36.583   15.426 12.55853 26.40401 
1 1 1   -8   34   11 o   65.160   16.471   61.059   26.815   58.317   48.995   62.232   32.040   63.212   23.400   64.910   18.729 -1.697701 29.97182 
1 1 1   -8   34   12 o   32.194   13.944   0.1403   20.667 -12.9517   45.309   3.5797   23.224   42.611   19.393   35.202   15.006 7.409008 24.52114 
1 1 1   -8   34   13 o   36.087   15.046   6.7720   22.530 -31.7550   45.038   19.631   26.019   39.071   18.316   43.357   16.815 -4.286282 24.86451 
1 1 1   -8   34   14 o   71.110   25.233   77.076   56.190   76.900   63.463   77.713  120.880   71.330   26.586   76.419   33.403 -5.089371 42.69173 
1 1 1   -8   34   15 o   50.610   17.039   34.291   25.486   54.479   44.388   24.362   31.128   62.398   22.396   47.515   18.402 14.88268 28.98674 
1 1 1   -8   34   16 o   86.839   14.720  103.194   30.780  153.247   48.030   68.311   40.096  103.314   19.327   68.153   21.256 35.16094 28.72865 
1 1 1   -8   34   17 o  169.433   11.024  374.128   46.390  472.643   65.375  274.211   65.839  188.160   14.014  138.911   19.518 49.24904 24.02826 
1 1 1   -8   34   18 o  116.419   12.574  179.530   35.975  222.441   52.401  141.274   49.477  126.941   16.954   98.411   20.785 28.53011 26.82239 
1 1 1   -8   34   19 o   73.144   21.458   78.861   41.747   0.0000   0.0000   78.861   41.747  ?   ?    73.144   21.458 0.000000 21.45773 
1 1 1   -8   34   20 o   38.452   17.275  -9.7860   34.584  -4.5847   35.893 -77.2375  129.255   40.519   17.937   61.825   29.574 -21.30595 34.58828 
1 1 1   -8   34   21 o   53.372   19.257   36.070   32.863   27.736   56.562   40.317   40.378   57.349   23.869   56.876   21.205 0.4736900 31.92793 
1 1 1   -8   34   22 o  111.658   15.567  169.619   42.226  252.651   69.174  120.304   53.310  131.999   21.743   89.194   23.577 42.80521 32.07217 
1 1 1   -8   34   23 o   80.006   16.020   88.631   30.890   49.707   41.080  139.273   46.858   60.716   21.572   98.639   19.712 -37.92357 29.22184 
1 1 1   -8   34   24 o   70.347   16.977   69.613   29.482   65.271   39.162   75.292   44.790   67.252   21.012   71.536   22.490 -4.283989 30.77848 
1 1 1   -8   34   25 o  134.696   11.893  237.968   39.593  244.694   51.358  228.115   62.163  134.355   15.597  126.309   20.404 8.046425 25.68251 
1 1 1   -8   34   26 o  162.804   11.633  346.346   46.984  369.373   60.800  312.212   74.024  165.903   14.832  147.834   20.612 18.06897 25.39415 
1 1 1   -8   34   27 o   76.683   16.338   82.008   30.328   82.725   38.158   80.778   49.972   75.439   19.950   73.507   23.827 1.931778 31.07638 
1 1 1   -8   34   28 o  140.130   12.044  258.035   41.736  233.572   52.859  298.533   68.010  130.432   16.605  145.579   19.175 -15.14661 25.36527 
1 1 1   -8   34   29 o   43.896   18.112   13.088   32.164   14.625   32.832 -23.5234  160.285   44.746   18.361   71.866   33.957 -27.11970 38.60376 
1 1 1   -8   34   30 o  152.449   19.392  328.634   72.154  319.169   77.642  388.579  195.399  148.216   21.613  124.169   46.578 24.04686 51.34809 
1 1 1   -8   34   31 o   55.066   20.824   36.902   39.232   43.238   40.247 -83.9841  175.788   57.723   21.237   69.228   33.462 -11.50429 39.63197 
1 1 1   -8   34   32 o   56.315   18.910   43.505   31.388   61.356   40.722   17.379   49.266   65.166   21.529   51.968   21.993 13.19803 30.77643 
1 1 1   -8   34   33 f  117.014   12.910  182.393   37.095  186.064   45.672  175.277   63.588  116.216   16.176  106.679   24.400 9.536957 29.27479 
1 1 1   -8   34   34 o   41.308   16.463   15.035   25.533   4.3416   29.890   43.901   49.110   39.610   16.958   59.471   23.091 -19.86079 28.64942 
1 1 1   -8   34   35 o   92.049   14.806  116.251   32.881  105.391   39.777  139.685   58.428   85.085   19.179   94.294   24.567 -9.208603 31.16717 
1 1 1   -8   34   36 o  115.862   12.917  179.769   36.738  151.784   44.566  239.112   64.897  103.247   17.936  127.272   21.163 -24.02517 27.74090 
1 1 1   -8   34   37 o   69.910   17.186   70.367   29.791   63.280   35.179   88.333   56.012   65.419   19.822   74.509   25.259 -9.089615 32.10825 
1 1 1   -8   34   38 o   69.885   17.455   70.900   30.372   72.379   35.583   66.930   58.296   69.604   19.625   66.945   25.368 2.658989 32.07346 
1 1 1   -8   34   39 o   93.950   15.194  123.188   34.429  118.895   41.016  133.430   63.349   89.788   18.891   88.668   26.539 1.119987 32.57632 
1 1 1   -8   35    2 o   56.247   24.005   59.144   59.555   36.852   73.183  102.853  102.475   52.775   24.254   62.351   28.672 -9.576031 37.55480 
1 1 1   -8   35    3 f   48.987   22.041   22.263   56.544   16.376   68.478   34.878  100.243   50.022   23.158   55.883   26.537 -5.860451 35.22049 
1 1 1   -8   35    4 o   39.773   18.990 -30.4242   52.790 -39.8051   62.990  -8.2881   96.761   41.843   20.177   52.235   25.142 -10.39217 32.23720 
1 1 1   -8   35    5 f   54.129   23.322   39.401   57.205   52.350   68.640   9.9567  103.506   58.066   25.281   55.817   26.635 2.249748 36.72245 
1 1 1   -8   35    6 o   36.852   14.918   12.801   21.318 -12.7714   58.225   16.760   22.909   44.946   20.992   39.322   15.618 5.624546 26.16461 
1 1 1   -8   35    7 o   34.598   14.521   7.3933   21.190  -2.1770   57.335   8.9074   22.805   46.829   21.502   36.086   15.099 10.74313 26.27409 
1 1 1   -8   35    8 o   40.039   15.781   17.341   23.223   45.395   59.647   12.329   25.213   57.625   24.282   38.767   16.019 18.85769 29.09027 
1 1 1   -8   35    9 o   61.857   17.176   57.659   27.474   16.562   57.777   69.667   31.230   51.259   22.721   67.432   18.147 -16.17302 29.07849 
1 1 1   -8   35   10 o   21.829   10.518 -23.4325   17.040  181.656  103.696 -29.1244   17.275   88.483   33.761   20.836   10.166 67.64684 35.25865 
1 1 1   -8   35   11 f   40.639   15.696   18.313   22.597   6.9060   53.161   20.828   24.965   48.598   21.654   42.711   16.497 5.887550 27.22239 
1 1 1   -8   35   12 o   36.820   15.097   10.131   22.171   28.394   48.121   5.2090   24.981   52.596   21.964   36.456   15.552 16.14056 26.91288 
1 1 1   -8   35   13 o   48.859   16.864   32.681   24.990   7.4194   49.450   41.346   28.960   47.976   21.155   53.791   18.163 -5.814651 27.88245 
1 1 1   -8   35   14 o   45.933   16.650   26.981   24.609   28.938   48.321   26.296   28.595   53.302   22.113   46.744   17.754 6.558399 28.35851 
1 1 1   -8   35   15 o   57.928   17.469   48.658   27.371   42.843   48.747   51.336   33.078   57.758   22.833   59.196   19.396 -1.437531 29.95897 
1 1 1   -8   35   16 o   37.807   17.991 -42.3511   46.552 -50.8849   50.751   2.9047  116.872   38.554   18.466   64.077   29.864 -25.52327 35.11184 
1 1 1   -8   35   17 o   77.454   16.009   85.001   29.940   96.188   48.796   78.247   37.916   78.018   23.279   72.035   20.240 5.983864 30.84739 
1 1 1   -8   35   18 o   77.749   20.845   91.609   41.299   0.0000   0.0000   91.609   41.299  ?   ?    77.749   20.845 0.000000 20.84492 
1 1 1   -8   35   19 o   52.535   20.669   31.466   39.767   47.137   41.819 -116.5526  128.526   58.706   21.640   56.510   27.607 2.195896 35.07771 
1 1 1   -8   35   20 o   72.712   16.698   75.394   29.680   61.230   43.833   87.387   40.333   64.515   22.331   76.251   20.666 -11.73579 30.42595 
1 1 1   -8   35   21 o   50.409   17.449   33.815   26.761   22.133   39.742   43.505   36.197   49.528   20.248   56.550   20.232 -7.022312 28.62425 
1 1 1   -8   35   22 o   75.237   16.402   80.108   29.947   93.628   42.420   66.675   42.284   78.836   21.121   66.892   21.930 11.94350 30.44753 
1 1 1   -8   35   23 o   53.794   19.409   38.092   33.383   34.215   59.924   39.836   40.198   58.847   24.537   55.911   21.095 2.935322 32.35816 
1 1 1   -8   35   24 f   30.790   14.534 -27.5637   29.222 -20.0553   53.056 -30.8335   35.012   44.916   20.646   33.835   15.952 11.08083 26.09031 
1 1 1   -8   35   25 o   44.363   17.020   21.317   26.446  -5.0046   35.763   53.079   39.285   39.978   17.791   61.109   21.141 -21.13043 27.63083 
1 1 1   -8   35   26 o   54.294   18.017   40.698   28.508   30.377   37.352   55.099   44.120   51.720   20.123   62.390   22.335 -10.67021 30.06297 
1 1 1   -8   35   27 o  150.280   12.089  298.549   44.982  322.328   58.026  262.738   71.208  153.674   15.325  132.672   22.283 21.00157 27.04431 
1 1 1   -8   35   28 o   75.647   16.716   81.165   30.736   90.460   38.928   65.779   50.085   78.249   19.882   66.851   23.812 11.39812 31.02058 
1 1 1   -8   35   29 o   81.295   16.147   92.770   31.625   85.083   39.619  106.269   52.500   75.542   20.486   82.323   24.038 -6.780304 31.58329 
1 1 1   -8   35   30 f   60.436   18.316   52.451   30.036   36.374   37.008   83.476   51.411   53.860   20.258   73.389   24.188 -19.52858 31.55019 
1 1 1   -8   35   31 o  103.563   13.991  145.660   35.258  164.612   43.827  110.898   59.357  108.427   16.724   82.746   25.871 25.68117 30.80571 
1 1 1   -8   35   32 f   75.866   19.779   85.439   37.858   79.939   38.523  240.544  204.585   73.104   20.352   96.025   42.650 -22.92091 47.25750 
1 1 1   -8   35   33 o   89.807   22.503  124.432   50.362  133.099   51.928 -12.8736  206.687   92.897   22.600   74.513   36.081 18.38403 42.57467 
1 1 1   -8   35   34 o   44.977   18.692   14.847   34.613   6.9939   35.085  301.142  211.843   42.718   18.333  100.203   43.998 -57.48493 47.66454 
1 1 1   -8   35   35 o   41.845   16.985   14.764   27.717   5.4411   33.091   36.683   50.739   41.207   17.746   56.616   22.981 -15.40883 29.03562 
1 1 1   -8   35   36 f  106.890   13.901  156.320   36.227  162.503   43.641  142.617   64.972  106.890   16.912   91.542   26.745 15.34761 31.64355 
1 1 1   -8   35   37 o   59.387   17.904   51.692   28.754   41.936   33.450   79.300   56.273   54.735   19.464   70.061   25.209 -15.32620 31.84879 
1 1 1   -8   36    3 o   44.469   21.130   0.1391   63.738 -39.1014   76.565   88.717  115.034   42.667   20.940   56.984   27.424 -14.31708 34.50483 
1 1 1   -8   36    4 o   44.906   20.998   4.6948   58.551 -14.1754   69.333   51.616  109.328   44.564   21.407   55.318   26.651 -10.75439 34.18433 
1 1 1   -8   36    5 o   51.569   23.050   36.546   60.746   13.766   72.907   88.267  109.854   49.481   23.231   60.461   28.428 -10.98045 36.71275 
1 1 1   -8   36    6 o   51.284   23.090   29.847   62.174   18.989   72.158   61.146  122.506   50.933   23.647   59.394   28.511 -8.461109 37.04120 
1 1 1   -8   36    7 o   54.663   23.784   43.895   60.669   56.607   69.054   0.8777  127.029   57.897   25.278   56.103   27.416 1.794880 37.29107 
1 1 1   -8   36    8 o   45.774   16.788   29.689   25.122   27.135   63.537   30.162   27.351   52.361   23.477   46.348   17.418 6.013130 29.23280 
1 1 1   -8   36    9 o   89.240   15.108  116.404   32.467  178.079   64.952   95.861   37.487   96.941   26.205   77.007   19.480 19.93427 32.65210 
1 1 1   -8   36   10 o  101.117   14.221  145.781   34.916  254.530   67.459  105.988   40.807  123.433   22.723   80.780   20.264 42.65288 30.44576 
1 1 1   -8   36   11 o   56.943   16.939   49.109   25.866  108.099   57.202   33.947   29.000   76.320   25.528   49.081   18.031 27.23857 31.25400 
1 1 1   -8   36   12 o   67.606   18.780   71.311   32.840  102.690  109.434   68.206   34.426   70.947   31.368   65.633   19.546 5.313309 36.95916 
1 1 1   -8   36   13 o   27.913   12.760  -9.4188   19.887 -25.3013   51.990  -6.6966   21.524   41.785   19.618   29.974   13.532 11.81103 23.83221 
1 1 1   -8   36   14 o   37.255   15.187   11.513   22.274  -5.1638   49.373   15.775   24.959   44.555   20.265   40.333   16.207 4.222546 25.94861 
1 1 1   -8   36   15 o   48.560   16.737   32.862   24.609   50.589   48.467   26.704   28.565   58.888   22.919   46.413   17.717 12.47479 28.96857 
1 1 1   -8   36   16 o   32.139   14.037  -0.2824   21.311  -8.0124   46.043   1.8250   24.041   43.019   19.568   34.644   15.022 8.375767 24.66927 
1 1 1   -8   36   17 o   47.782   18.122   28.575   29.764   0.0000   0.0000   28.575   29.764  ?   ?    47.782   18.122 0.000000 18.12201 
1 1 1   -8   36   18 f   53.208   22.817   23.892   54.271   11.471   58.703   96.952  142.371   51.680   22.905   75.077   34.250 -23.39688 41.20340 
1 1 1   -8   36   19 o   32.682   14.459  -3.0115   23.287  -4.1856   45.803  -2.6023   27.043   44.077   19.834   35.205   15.578 8.872005 25.21989 
1 1 1   -8   36   20 o   95.516   14.273  126.313   33.000  149.364   49.109  107.333   44.562   99.220   20.498   83.021   21.368 16.19876 29.61075 
1 1 1   -8   36   21 o   73.638   16.671   78.397   29.942   81.526   45.389   75.986   39.841   71.747   22.651   70.122   21.060 1.625328 30.92911 
1 1 1   -8   36   22 o   69.508   17.262   70.499   29.826  101.697   44.104   44.206   40.489   80.934   21.469   56.768   21.220 24.16595 30.18667 
1 1 1   -8   36   23 o   56.297   17.769   45.645   27.931   34.425   41.121   55.256   38.057   53.425   21.018   61.120   20.820 -7.694805 29.58466 
1 1 1   -8   36   24 o   36.928   15.689   5.3439   25.229   4.5885   37.882   5.9460   33.821   43.113   18.776   41.626   17.934 1.486980 25.96431 
1 1 1   -8   36   25 o   24.642   11.987 -37.3523   23.505 -39.8528   35.306 -35.3617   31.501   32.166   15.405   30.596   14.626 1.569347 21.24200 
1 1 1   -8   36   26 o   75.354   20.369   86.208   39.244  150.696   66.497   51.743   48.612   94.249   26.917   60.838   23.139 33.41045 35.49583 
1 1 1   -8   36   27 o  104.124   17.792  155.895   44.599  204.020   73.760  128.160   55.995  110.415   26.980   88.951   24.451 21.46441 36.41143 
1 1 1   -8   36   28 o   48.731   17.862   30.302   28.435 -30.6370   36.944  118.871   44.538   34.734   16.379   88.689   20.518 -53.95491 26.25335 
1 1 1   -8   36   29 o   51.138   18.136   35.171   29.025   38.517   36.860   29.711   47.086   54.094   20.242   53.549   21.983 0.5449028 29.88315 
1 1 1   -8   36   30 o   60.847   18.194   54.252   29.782   58.037   37.405   47.696   49.227   62.387   20.635   59.478   23.112 2.908649 30.98318 
1 1 1   -8   36   31 o   38.256   16.218   6.6018   26.863 -23.2065   32.814   67.176   46.777   33.708   15.748   66.058   23.057 -32.34965 27.92198 
1 1 1   -8   36   32 o   62.752   18.267   58.215   30.359   43.180   36.945   89.478   53.274   55.782   20.373   73.987   24.634 -18.20404 31.96699 
1 1 1   -8   36   33 o  100.336   14.524  139.621   35.333  135.408   43.294  148.022   61.141   95.738   18.780   94.081   25.422 1.656738 31.60613 
1 1 1   -8   36   34 o   55.284   18.099   44.232   28.804   59.488   34.289   7.6571   53.092   62.754   19.670   49.298   21.820 13.45583 29.37698 
1 1 1   -8   36   35 o   57.537   19.670   48.797   33.970   46.170   34.345  167.218  230.611   56.369   19.752   81.310   39.055 -24.94111 43.76539 
1 1 1   -8   36   36 o   52.870   20.092   37.496   36.635   34.724   37.052  158.496  244.815   51.894   20.083   79.541   38.690 -27.64761 43.59193 
1 1 1   -8   37    5 o   42.766   20.497  -5.4856   62.768 -37.0708   73.239   81.898  121.819   41.435   20.365   54.547   26.696 -13.11161 33.57684 
1 1 1   -8   37    6 o   58.198   25.378   81.944   69.405   58.977   80.531  148.264  136.848   53.974   25.032   60.712   29.389 -6.737206 38.60396 
1 1 1   -8   37    7 o   46.178   21.619   9.0712   62.377   2.0560   70.650   33.873  132.842   46.620   22.179   54.549   26.928 -7.928967 34.88583 
1 1 1   -8   37    8 o   43.699   20.809 -13.4518   62.489   5.1837   71.072 -76.9294  131.171   47.839   22.607   49.422   24.771 -1.582737 33.53580 
1 1 1   -8   37    9 o   51.868   23.313   34.041   63.077   40.168   71.231   11.779  135.768   53.781   24.415   55.802   27.484 -2.020138 36.76252 
1 1 1   -8   37   10 o   38.043   15.426   15.219   22.834   31.618   63.415   12.776   24.475   52.142   23.411   37.705   15.698 14.43728 28.18666 
1 1 1   -8   37   11 o   35.721   14.798   10.653   21.593   11.642   59.538   10.503   23.170   48.403   22.107   36.410   15.226 11.99316 26.84331 
1 1 1   -8   37   12 o   58.581   17.657   54.141   27.968   45.613   61.862   56.332   31.356   56.000   24.190   59.039   18.847 -3.039406 30.66541 
1 1 1   -8   37   13 o   60.246   17.976   57.172   29.098  -0.9612   61.874   73.680   32.972   47.678   22.051   67.789   18.813 -20.11043 28.98623 
1 1 1   -8   37   14 o   52.109   18.141   40.911   28.948 -23.9611  114.502   45.341   29.920   55.339   26.811   54.281   18.461 1.057499 32.55179 
1 1 1   -8   37   15 o   24.410   11.599 -19.8935   19.207  -9.4026   56.335 -21.2733   20.431   45.333   20.993   25.076   11.929 20.25605 24.14527 
1 1 1   -8   37   16 o   57.144   19.041   50.481   31.828   0.0000   0.0000   50.481   31.828  ?   ?    57.144   19.041 0.000000 19.04104 
1 1 1   -8   37   17 o   37.914   15.819   10.310   24.932   31.958   51.566   3.7050   28.483   53.147   22.496   37.405   16.285 15.74189 27.77225 
1 1 1   -8   37   18 o   27.072   12.614 -14.9767   20.828 -18.8071   47.125 -14.0468   23.219   40.926   19.037   29.101   13.477 11.82546 23.32453 
1 1 1   -8   37   19 o   36.360   15.301   7.6453   23.632   14.955   46.320   5.0732   27.476   47.887   20.808   37.491   16.158 10.39672 26.34541 
1 1 1   -8   37   20 o   78.636   26.306  111.719   60.740  116.232   65.473   83.845  162.712   79.148   27.298   71.763   34.000 7.385872 43.60215 
1 1 1   -8   37   21 o   60.138   23.901   52.987   53.682   62.063   57.331 -11.5792  152.912   63.096   24.819   64.081   31.031 -0.9845161 39.73528 
1 1 1   -8   37   22 o   58.606   17.928   51.332   28.681   53.629   45.425   49.808   36.986   59.748   22.449   57.743   20.473 2.005299 30.38281 
1 1 1   -8   37   23 o   51.052   17.787   36.696   27.831   35.828   43.597   37.293   36.157   53.553   21.454   52.613   19.969 0.9397049 29.30959 
1 1 1   -8   37   24 o   40.369   16.517   13.713   26.469   37.394   41.308  -2.7848   34.478   53.680   21.083   39.035   17.412 14.64549 27.34341 
1 1 1   -8   37   25 o   38.080   16.045   8.1877   26.041   3.2953   39.900   11.818   34.371   43.096   19.003   43.167   18.324 -0.7109451E-01 26.39873 
1 1 1   -8   37   26 o   56.902   18.274   47.854   29.444   58.710   42.260   37.612   41.048   61.803   21.888   53.779   21.047 8.024185 30.36522 
1 1 1   -8   37   27 o   77.271   16.987   87.522   31.885  112.994   43.915   59.123   46.369   85.061   20.838   62.077   22.801 22.98433 30.88918 
1 1 1   -8   37   28 o   47.669   19.452   23.136   36.589  -1.8214   66.287   34.072   43.879   51.105   23.336   53.190   21.448 -2.085541 31.69489 
1 1 1   -8   37   29 o   97.091   19.878  143.637   46.571  188.622   76.858  117.536   58.543  100.865   28.980   82.186   25.692 18.67800 38.72860 
1 1 1   -8   37   30 o   92.205   15.801  121.539   35.073  152.559   45.353   75.389   55.320  101.166   18.639   67.595   24.893 33.57035 31.09832 
1 1 1   -8   37   31 o  100.026   14.925  141.012   36.140  173.091   46.239   90.650   57.937  108.676   17.643   72.396   25.629 36.28067 31.11466 
1 1 1   -8   37   32 o   39.541   16.602   10.249   27.721   17.485   34.256  -3.4813   47.185   44.775   18.601   44.262   20.004 0.5131721 27.31562 
1 1 1   -8   37   33 o   41.432   16.898   15.631   27.598  -4.8249   33.189   61.468   49.681   37.671   16.923   62.403   23.471 -24.73175 28.93603 
1 1 1   -8   38    8 o   57.417   25.619   90.861   74.693   59.516   85.225  194.684  155.109   52.364   24.748   59.626   29.370 -7.262337 38.40643 
1 1 1   -8   38    9 o   54.801   24.691   66.991   71.250   95.276   80.352 -37.0790  154.126   58.956   26.419   50.163   25.357 8.793259 36.61921 
1 1 1   -8   38   10 o   52.892   23.962   50.005   68.178   63.772   76.932  -0.3743  147.162   55.280   25.202   52.571   26.333 2.708908 36.44939 
1 1 1   -8   38   11 f   53.386   23.982   48.277   66.642   36.520   72.873  108.338  164.713   51.884   23.974   59.608   29.527 -7.723724 38.03382 
1 1 1   -8   38   12 o   44.541   16.641   29.189   24.893   49.097   62.865   25.487   27.109   54.117   23.858   43.225   17.046 10.89186 29.32225 
1 1 1   -8   38   13 o   54.649   17.515   48.395   27.058   97.655   63.621   37.517   29.897   66.465   26.145   49.086   18.257 17.37875 31.88860 
1 1 1   -8   38   14 o   61.316   17.752   60.905   28.742   63.727   63.218   60.169   32.270   58.655   24.873   59.904   19.120 -1.248363 31.37213 
1 1 1   -8   38   15 o   36.939   15.532   10.674   24.317   0.0000   0.0000   10.674   24.317  ?   ?    36.939   15.532 0.000000 15.53155 
1 1 1   -8   38   16 o   75.725   33.507  184.129  125.111  184.129  125.111   0.0000   0.0000   75.725   33.507  ?   ?  0.000000 33.50675 
1 1 1   -8   38   17 o   34.658   15.176   2.5224   25.049   43.619  106.646   0.1227   25.770   59.638   28.031   34.290   15.188 25.34843 31.88119 
1 1 1   -8   38   18 o   64.788   18.004   66.281   30.174   50.730   56.393   72.518   35.717   57.155   23.815   66.270   19.949 -9.115879 31.06585 
1 1 1   -8   38   19 o   54.512   17.633   45.746   27.377  103.628   53.618   25.335   31.840   74.585   24.707   45.711   18.327 28.87457 30.76227 
1 1 1   -8   38   20 o   34.854   15.045   4.2585   23.895   28.772   50.132  -2.9481   27.182   51.213   21.945   34.409   15.397 16.80407 26.80713 
1 1 1   -8   38   21 o   52.931   17.791   42.290   27.783   51.406   49.644   38.132   33.525   57.622   22.958   51.362   19.288 6.259892 29.98511 
1 1 1   -8   38   22 o   55.412   22.347   44.213   47.641   34.319   49.681  157.314  167.978   52.901   22.220   74.186   34.965 -21.28499 41.42747 
1 1 1   -8   38   23 o   42.577   19.717 -13.0975   49.704 -28.7186   51.993  152.734  169.402   40.869   19.320   74.221   35.021 -33.35208 39.99669 
1 1 1   -8   38   24 o   55.032   18.292   45.999   29.380   8.0674   46.696   70.855   37.800   45.842   20.368   65.997   20.647 -20.15494 29.00249 
1 1 1   -8   38   25 o   63.821   18.332   63.186   30.760   44.248   46.783   77.608   40.825   55.623   22.246   68.490   21.462 -12.86610 30.91095 
1 1 1   -8   38   26 o   80.075   17.454   96.762   33.916  111.307   49.398   83.791   46.649   80.493   23.264   69.946   23.040 10.54662 32.74197 
1 1 1   -8   38   27 f   41.694   16.978   16.982   27.799   20.299   41.542   14.292   37.410   47.420   20.139   44.366   18.982 3.053974 27.67471 
1 1 1   -8   38   28 o   78.410   17.763   93.455   33.976   71.599   46.724  117.978   49.493   65.156   23.021   83.245   23.031 -18.08940 32.56363 
1 1 1   -8   38   29 o   43.428   17.492   20.240   29.151   23.172   40.656   17.138   41.820   47.962   20.120   46.589   20.005 1.373016 28.37305 
1 1 1   -8   38   30 o   41.929   17.331   16.001   29.523   15.874   39.947   16.153   43.826   45.594   19.564   46.894   20.308 -1.299587 28.19921 
1 1 1   -8   38   31 o   91.416   22.277  139.313   50.390  100.565   81.628  163.170   64.050   70.696   28.974   94.018   26.267 -23.32183 39.10856 
1 1 1   -8   39   13 o   34.567   17.267 -89.3841   61.304 -126.5594   66.696  113.033  155.631   33.595   16.946   56.957   28.297 -23.36179 32.98330 
1 1 1   -8   39   14 o   51.420   18.678   45.657   30.990   0.0000   0.0000   45.657   30.990  ?   ?    51.420   18.678 0.000000 18.67775 
1 1 1   -8   39   15 o   59.010   25.034   77.367   64.085  103.075   68.666 -96.2312  178.433   64.382   26.502   51.253   26.054 13.12869 37.16397 
1 1 1   -8   39   16 o   55.433   18.056   51.643   28.680   97.393   63.961   40.129   32.087   64.764   25.972   49.685   18.822 15.07932 32.07548 
1 1 1   -8   39   17 o   63.488   18.082   67.118   30.050   77.139   63.108   64.179   34.173   60.440   25.189   60.545   19.709 -0.1053505 31.98306 
1 1 1   -8   39   18 o   49.626   17.678   38.862   27.607   62.454   61.877   32.999   30.847   57.572   24.517   47.185   18.306 10.38652 30.59742 
1 1 1   -8   39   19 o   56.172   19.192   52.865   32.339  134.618  114.615   45.794   33.708   67.314   30.717   52.884   19.438 14.43072 36.35101 
1 1 1   -8   39   20 o   38.018   15.873   12.937   25.126   45.494   54.650   4.2114   28.293   54.062   23.032   36.445   16.039 17.61745 28.06632 
1 1 1   -8   39   21 o   79.784   17.306   99.743   33.487  114.842   57.460   91.977   41.208   75.008   25.583   72.216   21.357 2.792343 33.32578 
1 1 1   -8   39   22 o   47.805   17.397   33.916   26.904   87.305   51.610   13.994   31.526   67.312   24.151   41.028   17.486 26.28465 29.81666 
1 1 1   -8   39   23 o   77.291   17.530   93.666   33.057   94.435   54.613   93.222   41.530   69.376   24.848   73.103   21.389 -3.726990 32.78639 
1 1 1   -8   39   24 o   64.188   23.786   76.620   50.651   69.388   52.461  176.012  194.479   61.629   23.884   69.391   33.912 -7.761883 41.47881 
1 1 1   -8   39   25 o   55.576   23.452   47.160   55.763   50.269   57.927   7.8780  205.925   56.516   23.879   61.719   30.948 -5.202450 39.08962 
1 1 1   -8   39   26 o   31.840   14.548  -8.3301   25.811  -3.4851   44.663 -10.7597   31.628   41.668   19.075   34.498   15.888 7.170818 24.82523 
1 1 1   -8   39   27 f   58.776   18.796   55.848   31.177   49.211   47.511   60.867   41.316   55.620   22.356   59.705   21.585 -4.085220 31.07591 
1 1 1   -7  -39    1 o   30.845   14.112  -0.7201   24.399  120.090  146.643  -4.1599   24.744   49.917   25.172   30.105   13.931 19.81190 28.76988 
1 1 1   -7  -38    1 o   50.459   18.681   45.885   31.230  167.889  142.562   39.735   32.007   59.006   28.879   47.827   18.622 11.17889 34.36218 
1 1 1   -7  -38    2 o   31.923   14.379   1.3089   24.140   96.706  146.011  -1.3720   24.477   52.420   26.253   31.316   14.253 21.10458 29.87271 
1 1 1   -7  -38    3 o   44.803   17.959   36.258   30.569   44.023  155.576   35.946   31.176   48.103   24.440   44.668   18.055 3.434715 30.38550 
1 1 1   -7  -37    1 o   34.592   14.791   7.9144   22.688   18.801   65.916   6.4514   24.164   48.847   22.651   34.772   15.069 14.07492 27.20584 
1 1 1   -7  -37    2 o   79.252   20.498  113.525   40.871   27.341  142.935  121.199   42.651   53.971   26.864   81.533   20.862 -27.56185 34.01345 
1 1 1   -7  -37    3 o   46.928   17.989   36.551   29.525 -81.6963  145.777   41.609   30.150   47.653   24.153   49.102   18.320 -1.449165 30.31478 
1 1 1   -7  -37    4 o   30.678   13.896  -1.3671   22.917   1.9014  147.482  -1.4480   23.199   49.244   24.882   30.802   13.964 18.44259 28.53270 
1 1 1   -7  -37    5 o   26.320   12.484 -15.0055   22.063 -116.3947  150.847 -12.7893   22.302   43.755   22.388   26.980   12.723 16.77488 25.75082 
1 1 1   -7  -36    1 o   51.575   17.273   41.134   26.189   76.322   63.500   33.922   28.748   62.814   25.628   48.107   17.901 14.70642 31.26067 
1 1 1   -7  -36    2 o   54.777   17.990   48.505   28.449   15.668   65.421   56.163   31.593   49.606   22.848   58.084   18.952 -8.477806 29.68491 
1 1 1   -7  -36    3 o   60.909   18.378   62.209   30.289   59.810   70.866   62.745   33.503   56.784   25.167   60.178   19.510 -3.394070 31.84394 
1 1 1   -7  -36    4 o   57.976   19.210   59.167   32.411  -2.1061  144.318   62.421   33.260   53.281   26.596   59.295   19.451 -6.013996 32.94977 
1 1 1   -7  -36    5 o   79.592   20.280  115.310   40.423  156.635  153.058  112.211   41.912   59.948   29.459   77.112   21.136 -17.16450 36.25677 
1 1 1   -7  -36    6 o   55.003   19.478   57.588   33.467   40.541  159.425   58.374   34.230   51.687   26.087   55.138   19.680 -3.451794 32.67790 
1 1 1   -7  -35    1 o   74.623   17.046   83.763   31.069  122.816   63.233   71.334   35.672   80.276   26.840   66.772   19.899 13.50430 33.41202 
1 1 1   -7  -35    2 o  176.902   14.414  444.935   63.119  600.853  107.908  363.840   77.822  188.402   23.443  149.669   21.434 38.73199 31.76440 
1 1 1   -7  -35    3 o   69.013   17.879   75.288   31.060  102.240   68.425   68.293   34.858   69.796   27.213   64.150   19.788 5.646263 33.64675 
1 1 1   -7  -35    4 o   82.770   16.460  104.998   32.823  203.279   72.112   79.317   36.863   98.475   27.999   68.101   20.214 30.37430 34.53265 
1 1 1   -7  -35    5 o   31.276   13.830   0.2239   21.282  220.237  152.979  -4.1180   21.491   71.446   33.578   29.990   13.532 41.45533 36.20211 
1 1 1   -7  -35    6 o   88.751   19.500  134.024   42.036  257.739  165.321  125.472   43.465   69.744   33.384   83.943   20.833 -14.19901 39.35134 
1 1 1   -7  -35    7 o   36.970   15.650   12.895   24.957 -33.1494  163.385   13.995   25.254   51.557   26.067   37.485   15.798 14.07198 30.48076 
1 1 1   -7  -35    8 o   51.698   26.196   23.482  170.730   23.482  170.730   0.0000   0.0000   51.698   26.196  ?   ?  0.000000 26.19590 
1 1 1   -7  -34    1 o   43.779   15.870   24.142   22.356   2.7213   56.141   28.179   24.371   49.343   22.100   46.435   16.603 2.908707 27.64134 
1 1 1   -7  -34    2 o  133.920   12.971  244.767   42.835  368.117   74.648  184.212   52.303  156.669   19.503  110.210   19.729 46.45873 27.74121 
1 1 1   -7  -34    3 o  120.719   31.117  289.592   94.400  289.592   94.400   0.0000   0.0000  120.719   31.117  ?   ?  0.000000 31.11740 
1 1 1   -7  -34    4 o   48.288   16.799   33.558   24.822   93.485   65.148   23.380   26.847   69.820   26.732   43.792   17.054 26.02714 31.70815 
1 1 1   -7  -34    5 o  103.246   15.077  155.344   37.726  221.660   72.726  130.929   44.128  107.333   27.122   89.641   20.197 17.69260 33.81631 
1 1 1   -7  -34    6 o   74.050   17.374   86.041   31.574   94.535   69.222   83.810   35.479   66.727   26.927   71.100   19.430 -4.373291 33.20522 
1 1 1   -7  -34    7 o   47.064   17.339   33.217   26.842   58.468  156.929   32.456   27.243   59.993   29.549   46.747   17.420 13.24651 34.30148 
1 1 1   -7  -34    8 o   26.695   12.357 -10.0430   19.487  115.913  165.400 -11.8159   19.623   61.026   30.111   26.301   12.251 34.72478 32.50745 
1 1 1   -7  -34    9 o  102.845   19.812  183.446   49.036  257.808  181.578  177.596   50.928   64.915   31.936   98.970   21.242 -34.05575 38.35543 
1 1 1   -7  -33    1 o   81.445   17.849   94.783   35.300   9.1239  129.036  101.713   36.700   69.107   31.921   84.378   17.968 -15.27010 36.63065 
1 1 1   -7  -33    2 o   46.083   15.888   27.736   22.179   48.465   58.571   24.266   23.964   61.923   24.846   44.732   16.398 17.19099 29.76941 
1 1 1   -7  -33    3 o   46.012   16.314   27.514   23.485 -10.4111   59.922   34.396   25.527   48.457   22.150   50.075   17.052 -1.618576 27.95354 
1 1 1   -7  -33    4 o  126.227   26.788  271.998   81.825  271.998   81.825   0.0000   0.0000  126.227   26.788  ?   ?  0.000000 26.78758 
1 1 1   -7  -33    5 o   49.967   16.918   35.691   25.126   16.638   61.720   39.476   27.509   52.479   23.361   52.120   17.702 0.3590012 29.31042 
1 1 1   -7  -33    6 o  170.623   13.084  402.732   55.324  539.979   88.331  314.141   70.967  187.902   19.090  140.857   20.802 47.04512 28.23359 
1 1 1   -7  -33    7 o   85.297   16.144  108.520   33.129  175.447   70.709   89.696   37.499   93.032   28.082   74.106   19.860 18.92582 34.39564 
1 1 1   -7  -33    8 o   68.986   19.360   78.603   34.712 -23.4499  161.564   83.541   35.542   57.854   28.758   71.105   19.453 -13.25130 34.71975 
1 1 1   -7  -33    9 o   42.597   16.523   24.028   25.126   36.959  163.939   23.717   25.426   59.300   29.389   42.528   16.587 16.77274 33.74683 
1 1 1   -7  -33   10 o   37.665   15.646   14.016   24.237 -159.7553  176.150   17.370   24.470   50.355   25.625   39.103   15.926 11.25274 30.17126 
1 1 1   -7  -33   11 o   62.764   31.225  228.344  192.099  228.344  192.099   0.0000   0.0000   62.764   31.225  ?   ?  0.000000 31.22455 
1 1 1   -7  -32    1 o   88.891   14.644  106.512   31.374  145.462   61.693   92.925   36.437   98.265   25.062   81.311   18.377 16.95395 31.07814 
1 1 1   -7  -32    2 o   51.578   16.881   35.514   25.057  -6.8107  128.065   37.199   25.551   69.107   31.878   52.582   17.037 16.52502 36.14561 
1 1 1   -7  -32    3 f   53.533   16.247   39.603   23.621   94.287   59.277   29.280   25.754   77.820   25.987   48.174   17.084 29.64571 31.09976 
1 1 1   -7  -32    4 o   69.233   16.645   68.281   28.423   52.758   60.702   72.640   32.168   63.797   25.397   70.774   18.122 -6.976986 31.19975 
1 1 1   -7  -32    5 o   31.417   13.543   0.8737   19.306   15.197   56.539  -1.0168   20.541   52.618   22.926   31.597   13.791 21.02108 26.75438 
1 1 1   -7  -32    6 o   94.243   29.982  168.362   79.406  168.362   79.406   0.0000   0.0000   94.243   29.982  ?   ?  0.000000 29.98247 
1 1 1   -7  -32    7 o   58.305   17.027   50.588   26.340  119.725   63.998   36.489   28.901   80.629   27.002   50.861   18.091 29.76811 32.50203 
1 1 1   -7  -32    8 f  165.481   13.334  379.733   54.633  504.529   88.750  303.588   69.324  180.225   20.060  138.933   20.606 41.29213 28.75792 
1 1 1   -7  -32    9 o  104.397   18.335  168.087   46.054  202.492  169.345  165.339   47.858   75.875   35.553  102.333   19.439 -26.45786 40.52050 
1 1 1   -7  -32   10 o   50.931   17.792   39.807   27.857   79.873  172.488   38.734   28.227   64.190   31.488   50.411   17.885 13.77898 36.21285 
1 1 1   -7  -32   11 o  119.220   19.721  232.943   56.658   53.637  194.142  249.637   59.237   60.925   30.477  123.132   19.948 -62.20695 36.42463 
1 1 1   -7  -32   12 f  100.983   21.597  180.979   52.812 -282.9761  205.038  213.946   54.656   49.400   25.335  112.086   20.273 -62.68571 32.44822 
1 1 1   -7  -31    1 o   85.885   15.790   99.394   32.616   50.110   60.543  119.546   38.714   66.518   25.691   93.829   17.155 -27.31149 30.89244 
1 1 1   -7  -31    2 o   78.611   16.032   84.180   30.406   66.861   60.249   90.099   35.221   71.135   26.012   80.670   17.947 -9.535049 31.60219 
1 1 1   -7  -31    3 o  162.314   15.341  350.993   61.444  571.988  154.660  309.576   66.954  187.097   34.369  150.487   18.186 36.60989 38.88379 
1 1 1   -7  -31    4 o  157.190   13.068  325.317   50.832  367.133   79.356  296.220   66.196  161.667   20.090  146.248   18.542 15.41939 27.33866 
1 1 1   -7  -31    5 f   68.449   16.495   65.827   27.862   79.123   60.694   62.277   31.362   72.937   26.188   66.018   18.358 6.919250 31.98135 
1 1 1   -7  -31    6 o   63.578   16.991   57.691   27.492   52.056   61.868   59.077   30.688   64.003   25.587   63.963   18.292 0.3964233E-01 31.45325 
1 1 1   -7  -31    7 o  112.618   29.473  222.005   83.850  222.005   83.850   0.0000   0.0000  112.618   29.473  ?   ?  0.000000 29.47321 
1 1 1   -7  -31    8 o  112.828   14.461  176.405   39.807  197.885   71.436  166.731   47.940  107.527   26.721  106.268   18.751 1.258766 32.64380 
1 1 1   -7  -31    9 o   75.458   16.953   84.224   31.166  118.030   70.425   75.991   34.755   78.879   28.221   70.074   19.264 8.805580 34.16885 
1 1 1   -7  -31   10 o  102.431   15.469  151.403   38.336  200.631   75.991  134.597   44.400  101.562   28.695   92.605   19.799 8.956215 34.86275 
1 1 1   -7  -31   11 o  104.831   19.550  173.640   49.295   0.0000   0.0000  173.640   49.295  ?   ?   104.831   19.550 0.000000 19.54957 
1 1 1   -7  -31   12 o   60.603   30.205   3.9886  183.178   3.9886  183.178   0.0000   0.0000   60.603   30.205  ?   ?  0.000000 30.20493 
1 1 1   -7  -31   13 o   57.383   18.934   54.800   31.501 -91.2768  193.281   58.786   31.928   55.417   28.057   59.260   19.029 -3.842377 33.90138 
1 1 1   -7  -30    1 o  252.331   13.057  819.524   81.990  896.156  110.715  726.462  122.009  261.169   17.070  231.849   21.312 29.32082 27.30534 
1 1 1   -7  -30    2 o  102.725   14.849  139.417   36.987  128.138   71.705  143.506   43.174   93.493   28.292  103.265   17.358 -9.772316 33.19284 
1 1 1   -7  -30    3 o  267.725   13.867  930.907   92.392  964.557  122.889  887.156  140.125  268.621   18.431  253.715   22.345 14.90536 28.96544 
1 1 1   -7  -30    4 o  136.785   13.422  244.782   45.257  234.734   71.622  251.460   58.391  128.458   23.180  136.540   17.530 -8.082428 29.06229 
1 1 1   -7  -30    5 o   50.060   16.994   31.958   25.354  103.356  136.821   29.419   25.801   87.934   36.901   48.846   17.120 39.08806 40.67865 
1 1 1   -7  -30    6 o   82.692   15.183   93.130   30.196  184.011   63.750   66.843   34.287  111.633   23.606   68.593   19.238 43.04008 30.45229 
1 1 1   -7  -30    7 o  153.857   13.045  313.170   49.648  387.909   80.510  267.308   63.067  165.569   19.869  138.044   18.783 27.52504 27.34179 
1 1 1   -7  -30    8 o  192.147   12.332  487.695   58.859  700.164   91.744  339.073   76.732  225.788   16.383  152.821   20.634 72.96632 26.34725 
1 1 1   -7  -30    9 o  153.644   13.319  317.936   50.595  413.112   84.052  263.853   63.360  167.421   20.535  134.624   19.408 32.79695 28.25505 
1 1 1   -7  -30   10 o  112.366   18.697  185.924   50.619   0.0000   0.0000  185.924   50.619  ?   ?   112.366   18.697 0.000000 18.69665 
1 1 1   -7  -30   11 o  137.174   27.038  328.111   89.327  328.111   89.327   0.0000   0.0000  137.174   27.038  ?   ?  0.000000 27.03839 
1 1 1   -7  -30   12 o   32.642   14.219   1.2004   21.740 -65.2395  176.083   2.2288   21.907   60.656   30.129   33.123   14.352 27.53305 33.37255 
1 1 1   -7  -30   13 o  111.817   18.717  193.958   50.417  201.150  195.650  193.447   52.179   73.972   35.642  110.654   19.601 -36.68232 40.67601 
1 1 1   -7  -30   14 o   38.717   15.914   14.413   24.714   9.8556  193.658   14.488   24.917   61.117   30.553   38.829   15.972 22.28797 34.47573 
1 1 1   -7  -30   15 o   58.708   29.607   1.4191  203.076   1.4191  203.076   0.0000   0.0000   58.708   29.607  ?   ?  0.000000 29.60716 
1 1 1   -7  -29    1 o  200.390   12.352  514.092   61.509  573.049   86.676  454.280   87.302  209.520   16.705  185.130   19.161 24.38971 25.42092 
1 1 1   -7  -29    2 o  228.282   23.163  708.520  130.217  708.520  130.217   0.0000   0.0000  228.282   23.163  ?   ?  0.000000 23.16344 
1 1 1   -7  -29    3 o  226.998   13.632  664.753   76.916  626.004  103.993  711.553  114.286  216.723   19.421  230.686   20.038 -13.96277 27.90560 
1 1 1   -7  -29    4 o   68.755   16.671   64.196   28.327   11.854   55.807   82.363   32.877   55.217   23.390   77.809   17.361 -22.59104 29.12887 
1 1 1   -7  -29    5 o  101.741   15.066  137.321   37.120   72.874   64.236  169.631   45.483   74.501   26.917  112.591   16.681 -38.09013 31.66693 
1 1 1   -7  -29    6 o  319.567   18.060  1366.77  143.529  1667.71  242.076  1203.62  178.238  335.797   29.158  291.493   24.719 44.30356 38.22597 
1 1 1   -7  -29    7 o  296.998   14.259  1155.21  105.754  1247.87  140.671  1034.77  160.376  303.253   18.667  269.022   24.129 34.23108 30.50666 
1 1 1   -7  -29    8 o   80.319   16.083   88.751   31.134   90.471   64.800   88.235   35.500   77.984   27.142   79.125   18.327 -1.140259 32.75025 
1 1 1   -7  -29    9 o   87.517   18.434  108.810   39.014   0.0000   0.0000  108.810   39.014  ?   ?    87.517   18.434 0.000000 18.43366 
1 1 1   -7  -29   10 o  111.506   29.957  212.757   85.194  212.757   85.194   0.0000   0.0000  111.506   29.957  ?   ?  0.000000 29.95701 
1 1 1   -7  -29   11 o   39.048   15.310   14.828   21.750   69.323   64.619   7.8650   23.097   67.955   26.459   36.716   15.265 31.23879 30.54675 
1 1 1   -7  -29   12 o  149.175   13.743  304.610   50.618  403.586   86.934  253.844   62.260  161.465   22.144  130.340   19.747 31.12494 29.66983 
1 1 1   -7  -29   13 o  142.494   17.296  296.544   60.284  475.159  187.813  276.027   63.652  114.695   44.983  134.993   19.443 -20.29795 49.00535 
1 1 1   -7  -29   14 o   45.004   16.803   26.646   25.372  170.478  182.461   23.810   25.621   75.222   35.744   43.737   16.759 31.48483 39.47810 
1 1 1   -7  -29   15 o   79.097   19.193  100.085   37.526  151.270  194.707   98.110   38.243   70.478   34.331   77.820   19.670 -7.342682 39.56661 
1 1 1   -7  -29   16 o   67.563   19.496   75.954   34.718  101.266  205.019   75.207   35.226   64.903   32.284   67.010   19.726 -2.106827 37.83324 
1 1 1   -7  -28    1 o   44.628   15.197   23.849   20.277   48.080   46.625   18.198   22.517   63.888   22.951   42.491   15.837 21.39708 27.88469 
1 1 1   -7  -28    2 o  154.722   11.950  306.251   45.814  361.018   68.576  262.104   61.569  166.237   16.748  140.952   17.895 25.28580 24.50976 
1 1 1   -7  -28    3 o  114.694   25.255  184.506   70.376  184.506   70.376   0.0000   0.0000  114.694   25.255  ?   ?  0.000000 25.25475 
1 1 1   -7  -28    4 o   91.353   14.491  109.782   31.953  116.454   57.737  106.836   38.364   90.966   24.756   89.019   17.879 1.947411 30.53690 
1 1 1   -7  -28    5 o  170.316   12.863  373.534   54.305  377.822   80.100  369.888   73.875  168.119   19.438  167.106   17.987 1.012619 26.48299 
1 1 1   -7  -28    6 o   93.325   15.293  115.646   34.405   73.344   61.702  134.731   41.446   74.803   26.452  100.179   17.186 -25.37552 31.54490 
1 1 1   -7  -28    7 o  143.983   13.719  270.143   48.730  256.804   78.816  278.397   62.001  134.658   24.334  144.322   17.566 -9.663712 30.01159 
1 1 1   -7  -28    8 o   63.805   17.500   55.892   28.720 -20.4835   67.710   72.648   31.714   52.735   23.886   72.571   17.666 -19.83622 29.70916 
1 1 1   -7  -28    9 o  282.237   14.205  1045.07   99.793  1131.90  135.478  942.082  147.551  288.474   18.911  257.909   23.157 30.56512 29.89763 
1 1 1   -7  -28   10 o  317.411   14.781  1333.81  117.161  1457.99  155.542  1170.94  178.127  325.103   19.245  281.211   25.648 43.89197 32.06519 
1 1 1   -7  -28   11 o  115.496   29.927  220.984   87.016  220.984   87.016   0.0000   0.0000  115.496   29.927  ?   ?  0.000000 29.92715 
1 1 1   -7  -28   12 o  188.434   13.296  473.974   62.164  569.373   95.756  404.478   81.729  199.551   19.464  167.519   19.928 32.03239 27.85611 
1 1 1   -7  -28   13 o  198.968   13.965  537.222   68.948  604.718  104.801  485.714   91.552  201.223   21.174  180.990   20.625 20.23329 29.55868 
1 1 1   -7  -28   14 o  142.756   13.914  280.343   48.971  382.898   87.826  234.072   58.992  155.179   23.391  125.077   19.525 30.10275 30.46885 
1 1 1   -7  -28   15 o  170.495   17.822  428.853   74.759  581.151  209.431  406.613   80.031  119.664   47.320  162.714   20.125 -43.04975 51.42152 
1 1 1   -7  -28   16 o   54.502   18.261   45.278   29.271   55.260  193.354   45.044   29.612   67.161   33.025   54.378   18.366 12.78333 37.78850 
1 1 1   -7  -28   17 o   89.515   19.291  127.803   41.851  150.610  214.887  126.904   42.668   69.463   34.282   88.678   19.772 -19.21556 39.57525 
1 1 1   -7  -27    1 o  175.576   12.874  394.152   56.050  347.478   77.646  444.939   80.994  162.308   19.550  184.711   17.779 -22.40288 26.42546 
1 1 1   -7  -27    2 o   85.382   14.851   95.882   30.514   47.430   51.346  122.338   37.941   65.045   23.978   96.254   16.371 -31.20903 29.03415 
1 1 1   -7  -27    3 o  211.876   13.039  574.305   68.655  535.983   92.666  620.938  102.222  202.186   18.561  217.479   19.014 -15.29326 26.57094 
1 1 1   -7  -27    4 o  154.184   13.050  305.380   49.774  278.961   72.487  328.951   68.468  144.302   20.710  158.305   17.619 -14.00336 27.19004 
1 1 1   -7  -27    5 o  250.658   13.162  805.053   82.096  867.557  111.825  731.980  120.909  257.764   17.476  234.503   20.865 23.26114 27.21693 
1 1 1   -7  -27    6 f  121.900   13.804  192.851   41.281  161.090   66.801  212.473   52.507  106.802   25.415  126.846   17.004 -20.04437 30.57880 
1 1 1   -7  -27    7 o  346.378   15.581  1554.43  134.768  1556.79  173.537  1550.84  213.917  341.724   20.430  334.903   25.777 6.821014 32.89078 
1 1 1   -7  -27    8 o   68.735   17.330   64.291   29.738  -2.8910   65.368   81.824   33.394   55.786   24.469   77.519   17.647 -21.73288 30.16853 
1 1 1   -7  -27    9 o  214.050   38.915  741.019  200.347  741.019  200.347   0.0000   0.0000  214.050   38.915  ?   ?  0.000000 38.91497 
1 1 1   -7  -27   10 o  141.353   13.181  260.664   45.991  340.994   78.238  218.251   56.850  157.499   20.370  126.634   18.526 30.86566 27.53405 
1 1 1   -7  -27   11 o   75.841   16.539   79.174   30.441  130.797   66.011   65.231   34.307   92.743   26.918   68.154   19.289 24.58959 33.11566 
1 1 1   -7  -27   12 o  169.301   13.295  377.694   55.757  460.551   89.109  324.381   71.479  181.338   20.011  152.627   19.177 28.71164 27.71695 
1 1 1   -7  -27   13 o  130.827   14.666  230.953   47.088  279.327   88.859  212.065   55.525  132.495   27.746  122.536   18.741 9.958221 33.48241 
1 1 1   -7  -27   14 o  305.776   14.826  1265.27  113.206  1433.89  154.299  1068.70  166.602  316.061   19.647  260.660   25.940 55.40060 32.54021 
1 1 1   -7  -27   15 o   72.755   16.776   76.658   29.857  193.875   74.967   54.561   32.549  105.559   27.986   60.684   19.184 44.87573 33.92993 
1 1 1   -7  -27   16 o   59.273   18.431   52.744   30.175  220.417  202.644   48.942   30.515   84.175   39.262   57.306   18.623 26.86827 43.45463 
1 1 1   -7  -27   17 o   69.184   18.996   74.683   33.820 -33.1314  198.327   77.912   34.323   64.731   32.123   70.665   19.027 -5.933800 37.33528 
1 1 1   -7  -27   18 o   72.879   19.102   84.411   35.187  262.365  220.195   79.748   35.645   77.941   37.619   70.398   19.570 7.543098 42.40511 
1 1 1   -7  -27   19 o   55.988   28.461 -189.1135  212.981 -189.1135  212.981   0.0000   0.0000   55.988   28.461  ?   ?  0.000000 28.46073 
1 1 1   -7  -26    1 o  266.509   23.140  942.215  152.476  942.215  152.476   0.0000   0.0000  266.509   23.140  ?   ?  0.000000 23.14038 
1 1 1   -7  -26    3 o   61.037   23.210   37.457   48.903   37.457   48.903   0.0000   0.0000   61.037   23.210  ?   ?  0.000000 23.20974 
1 1 1   -7  -26    4 o   61.754   23.394   39.175   49.566   39.175   49.566   0.0000   0.0000   61.754   23.394  ?   ?  0.000000 23.39420 
1 1 1   -7  -26    5 o   80.918   16.563   87.310   32.341   40.171   58.824  107.732   38.718   64.882   25.250   89.714   17.910 -24.83184 30.95666 
1 1 1   -7  -26    6 o  174.072   22.525  408.037   95.619  408.037   95.619   0.0000   0.0000  174.072   22.525  ?   ?  0.000000 22.52525 
1 1 1   -7  -26    7 f  176.561   18.337  410.547   79.670   0.0000   0.0000  410.547   79.670  ?   ?   176.561   18.337 0.000000 18.33703 
1 1 1   -7  -26    8 o  257.128   17.601  865.533  112.338  865.533  112.338   0.0000   0.0000  257.128   17.601  ?   ?  0.000000 17.60131 
1 1 1   -7  -26    9 o  192.850   12.788  478.015   61.235  530.091   89.648  432.464   83.843  200.335   18.116  180.379   18.894 19.95546 26.17550 
1 1 1   -7  -26   10 o  186.522   16.577  457.704   76.410  526.075  183.283  443.321   84.063  178.021   41.922  182.284   18.734 -4.263626 45.91716 
1 1 1   -7  -26   11 o   78.226   16.430   82.988   31.074   82.025   63.638   83.290   35.608   77.387   26.900   77.711   18.598 -0.3237457 32.70299 
1 1 1   -7  -26   12 o  197.154   13.781  507.617   67.420  514.524   99.518  501.758   91.658  193.111   20.974  191.993   19.383 1.118011 28.55893 
1 1 1   -7  -26   13 o   83.236   17.122   95.711   34.402   27.786   68.992  118.189   39.688   61.932   26.107   92.377   17.851 -30.44519 31.62659 
1 1 1   -7  -26   14 o   86.036   30.296  119.080   80.854  119.080   80.854   0.0000   0.0000   86.036   30.296  ?   ?  0.000000 30.29602 
1 1 1   -7  -26   15 o  146.486   13.680  287.114   49.464  384.381   87.342  241.189   60.016  161.508   22.246  130.275   19.008 31.23318 29.26077 
1 1 1   -7  -26   16 o  146.551   14.468  292.752   52.258  314.897   90.032  281.500   64.175  139.046   26.902  139.771   18.869 -0.7246246 32.85936 
1 1 1   -7  -26   17 o   88.881   18.669  117.354   40.117   41.228  197.224  120.640   40.974   73.374   35.461   90.027   18.831 -16.65275 40.15042 
1 1 1   -7  -26   18 o   97.190   18.481  141.651   43.214  153.934  211.152  141.114   44.149   77.552   37.281   96.555   18.987 -19.00298 41.83755 
1 1 1   -7  -26   19 o   54.532   18.414   44.879   29.766 -105.5588  222.031   47.632   30.037   62.619   31.500   55.898   18.491 6.721073 36.52662 
1 1 1   -7  -26   20 f   42.392   16.648   21.365   25.758 -65.5278  229.425   22.474   25.922   62.180   31.372   42.932   16.747 19.24800 35.56206 
1 1 1   -7  -25    1 o  250.903   15.013  805.605   93.632  784.470  136.547  824.363  128.639  243.838   22.685  251.115   20.698 -7.277359 30.70889 
1 1 1   -7  -25    2 o  147.975   12.744  279.749   46.634  299.964   73.141  265.903   60.534  150.922   19.892  142.874   17.321 8.047729 26.37584 
1 1 1   -7  -25    3 o  246.151   20.737  794.713  126.277   0.0000   0.0000  794.713  126.277  ?   ?   246.151   20.737 0.000000 20.73653 
1 1 1   -7  -25    4 o  150.708   12.379  290.045   46.175  389.416   75.178  229.846   58.513  172.953   17.654  132.268   18.197 40.68456 25.35362 
1 1 1   -7  -25    5 o  148.012   13.222  280.876   48.356  296.129   78.002  271.355   61.627  148.923   21.605  144.069   17.488 4.854584 27.79610 
1 1 1   -7  -25    6 o  156.456   17.682  320.129   67.871   0.0000   0.0000  320.129   67.871  ?   ?   156.456   17.682 0.000000 17.68204 
1 1 1   -7  -25    7 o  185.220   22.190  458.824  100.591  458.824  100.591   0.0000   0.0000  185.220   22.190  ?   ?  0.000000 22.18977 
1 1 1   -7  -25    8 o   42.968   15.589   19.971   21.579   82.749   54.954   8.5256   23.464   78.412   24.942   38.506   15.629 39.90626 29.43400 
1 1 1   -7  -25    9 o   69.027   16.077   63.877   27.197  130.300   60.878   47.315   30.399   96.414   25.056   60.018   18.473 36.39553 31.12965 
1 1 1   -7  -25   10 o   38.604   15.058   12.322   20.956   32.606   58.890   9.3806   22.424   62.312   24.945   38.143   15.349 24.16924 29.28910 
1 1 1   -7  -25   11 o   68.380   18.046   63.526   31.265   54.519   73.762   65.498   34.519   72.057   28.210   69.342   19.252 2.715614 34.15310 
1 1 1   -7  -25   12 o  162.727   26.147  375.544  102.653  375.544  102.653   0.0000   0.0000  162.727   26.147  ?   ?  0.000000 26.14717 
1 1 1   -7  -25   13 o   67.032   17.724   61.684   30.121   37.390   69.957   67.213   33.372   65.716   26.866   69.760   18.753 -4.043526 32.76315 
1 1 1   -7  -25   14 o  220.611   13.664  635.715   74.904  690.384  108.963  586.734  103.138  224.839   19.603  206.588   20.253 18.25050 28.18593 
1 1 1   -7  -25   15 o  239.585   26.518  855.445  155.992  855.445  155.992   0.0000   0.0000  239.585   26.518  ?   ?  0.000000 26.51772 
1 1 1   -7  -25   16 o  141.406   14.149  267.357   49.294  303.391   85.859  249.639   60.204  141.426   25.237  133.550   18.554 7.876831 31.32312 
1 1 1   -7  -25   17 o   64.230   17.642   59.339   29.163   58.076   75.125   59.563   31.645   67.461   27.739   64.087   18.648 3.374519 33.42500 
1 1 1   -7  -25   18 o   97.750   16.148  134.868   38.041  157.240   81.492  128.635   43.015   92.096   30.457   93.344   19.097 -1.248322 35.94936 
1 1 1   -7  -25   19 o  141.701   17.381  290.095   60.214  577.290  229.545  268.872   62.399  119.097   48.674  134.566   19.106 -15.46921 52.28910 
1 1 1   -7  -25   20 f   86.414   18.819  114.100   39.460  235.653  224.709  110.232   40.083   81.033   38.823   84.375   19.426 -3.342445 43.41172 
1 1 1   -7  -25   21 o  101.819   18.680  159.199   45.746  348.254  242.868  152.245   46.580   82.629   39.787   98.580   19.612 -15.95106 44.35801 
1 1 1   -7  -24    1 o  208.960   12.794  554.864   66.440  675.586   99.545  457.885   89.220  228.974   17.543  187.609   19.320 41.36476 26.09647 
1 1 1   -7  -24    2 f   63.085   15.537   52.741   24.314   12.267   45.059   69.367   28.880   51.830   21.416   72.289   16.378 -20.45937 26.96028 
1 1 1   -7  -24    3 o   47.515   15.535   27.852   21.223 -24.1080   43.951   43.651   24.235   42.093   19.135   57.608   16.180 -15.51494 25.05908 
1 1 1   -7  -24    4 o  117.110   16.957  179.340   48.146   0.0000   0.0000  179.340   48.146  ?   ?   117.110   16.957 0.000000 16.95681 
1 1 1   -7  -24    5 o  116.966   13.616  176.226   39.027  177.445   66.624  175.589   48.153  113.994   24.155  115.730   17.184 -1.735954 29.64363 
1 1 1   -7  -24    6 o   88.140   14.555  101.586   30.918  125.600   57.992   92.049   36.545   95.600   24.253   82.930   18.151 12.67023 30.29328 
1 1 1   -7  -24    7 o  178.554   12.769  407.082   56.561  543.532   89.615  316.735   72.921  204.486   17.725  155.142   19.235 49.34427 26.15616 
1 1 1   -7  -24    8 o   44.013   20.023 -25.5527   48.231 -25.5527   48.231   0.0000   0.0000   44.013   20.023  ?   ?  0.000000 20.02289 
1 1 1   -7  -24    9 o  111.666   12.686  160.585   34.748  349.307   66.774   90.502   40.691  163.859   16.545   81.643   20.094 82.21597 26.02934 
1 1 1   -7  -24   10 o   53.982   16.642   37.779   24.660   47.844   58.355   35.590   27.209   66.968   25.380   53.324   17.597 13.64412 30.88402 
1 1 1   -7  -24   11 o  189.170   12.996  458.892   61.020  638.639   99.915  351.970   77.061  220.620   18.301  162.919   19.318 57.70087 26.61015 
1 1 1   -7  -24   12 o  204.680   13.823  539.736   70.236  651.110  112.333  468.247   89.998  220.909   20.601  187.740   19.480 33.16904 28.35245 
1 1 1   -7  -24   13 o   44.414   16.665   20.018   25.016   0.0000   0.0000   20.018   25.016  ?   ?    44.414   16.665 0.000000 16.66491 
1 1 1   -7  -24   14 o   94.164   15.388  117.993   34.935  206.325   77.044   95.132   39.196  119.371   26.534   83.053   19.271 36.31779 32.79341 
1 1 1   -7  -24   15 o  160.266   13.269  334.441   52.627  546.756   97.173  246.321   62.602  200.634   19.647  134.364   19.204 66.27013 27.47363 
1 1 1   -7  -24   16 o  147.738   28.849  333.262  102.613  333.262  102.613   0.0000   0.0000  147.738   28.849  ?   ?  0.000000 28.84877 
1 1 1   -7  -24   17 o  215.628   15.535  623.012   83.090  639.522  132.540  612.322  106.650  206.117   26.354  208.333   20.777 -2.215637 33.55898 
1 1 1   -7  -24   18 o  123.970   15.586  209.896   47.183  147.481   85.188  237.516   56.669   92.309   31.152  130.285   17.890 -37.97549 35.92336 
1 1 1   -7  -24   19 o  109.373   16.620  168.054   43.964   68.244   82.832  207.199   51.874   69.884   28.969  120.742   17.733 -50.85810 33.96533 
1 1 1   -7  -24   20 o  169.749   17.485  412.403   73.055  754.017  238.252  376.950   76.753  147.323   51.992  159.654   19.667 -12.33075 55.58744 
1 1 1   -7  -24   21 o  141.048   17.803  291.329   61.311  493.213  239.302  277.146   63.428  102.976   45.908  135.973   19.215 -32.99773 49.76742 
1 1 1   -7  -24   22 o   68.952   19.415   74.927   34.849   28.923  249.265   75.844   35.194   69.361   34.673   69.310   19.509 0.5161285E-01 39.78431 
1 1 1   -7  -23    1 o  106.607   21.618  151.807   55.581  151.807   55.581   0.0000   0.0000  106.607   21.618  ?   ?  0.000000 21.61784 
1 1 1   -7  -23    2 o  131.698   11.894  220.749   38.693  297.301   61.873  171.582   49.585  151.791   16.593  114.488   17.933 37.30363 24.43188 
1 1 1   -7  -23    3 o   59.930   15.352   47.460   23.078   39.954   44.257   50.264   27.047   60.821   22.286   61.730   17.004 -0.9090614 28.03171 
1 1 1   -7  -23    4 o  199.007   12.689  503.470   62.728  628.082   95.327  408.303   83.306  220.702   17.439  177.057   19.146 43.64545 25.89753 
1 1 1   -7  -23    5 o  245.180   20.644  784.906  125.219   0.0000   0.0000  784.906  125.219  ?   ?   245.180   20.644 0.000000 20.64404 
1 1 1   -7  -23    7 o  105.162   13.561  142.806   34.783  174.795   61.244  127.576   42.259  113.771   22.354   98.122   17.907 15.64938 28.64175 
1 1 1   -7  -23    8 o  211.248   13.630  570.146   71.517  641.351  108.476  515.401   95.116  221.390   19.831  198.480   19.440 22.91035 27.77050 
1 1 1   -7  -23    9 o  107.338   13.870  149.110   36.309  173.407   64.651  137.917   43.883  112.614   23.738  102.007   17.879 10.60716 29.71755 
1 1 1   -7  -23   10 o   48.672   16.818   27.976   24.857 -12.4392   55.631   38.057   27.785   50.465   22.336   54.869   17.765 -4.403687 28.53934 
1 1 1   -7  -23   11 o  149.565   13.619  287.651   50.307  320.079   84.176  269.633   62.746  154.208   22.523  143.255   17.933 10.95323 28.79025 
1 1 1   -7  -23   12 o   83.617   15.815   92.754   31.813  159.674   68.212   74.151   35.964  106.718   25.866   73.990   19.273 32.72847 32.25637 
1 1 1   -7  -23   13 o  115.535   14.074  173.420   39.767  250.084   76.313  144.842   46.593  135.047   23.481  103.923   18.639 31.12415 29.97964 
1 1 1   -7  -23   14 o   95.579   18.267  123.128   42.010   0.0000   0.0000  123.128   42.010  ?   ?    95.579   18.267 0.000000 18.26711 
1 1 1   -7  -23   15 o   53.417   17.317   36.692   26.394   35.423   72.689   36.885   28.327   66.777   27.352   53.950   17.963 12.82747 32.72293 
1 1 1   -7  -23   16 o   48.541   16.828   28.663   24.896  166.104   72.642   10.370   26.502  106.132   27.264   40.778   16.587 65.35367 31.91371 
1 1 1   -7  -23   17 o   86.994   16.736  103.192   35.036  136.781   79.893   95.194   38.985   94.250   30.084   82.491   19.273 11.75886 35.72780 
1 1 1   -7  -23   18 o   59.500   18.045   48.836   29.147   59.254   77.850   47.138   31.433   71.023   28.593   58.792   18.881 12.23146 34.26439 
1 1 1   -7  -23   19 o  104.326   17.505  151.626   43.989   7.4959   83.450  207.085   51.765   60.693   27.080  122.270   17.449 -61.57704 32.21478 
1 1 1   -7  -23   20 o  219.158   17.892  672.795   97.065  401.277  147.818  878.621  128.700  137.820   40.362  245.337   21.216 -107.5167 45.59811 
1 1 1   -7  -23   21 o  112.685   18.467  184.217   50.166   27.952  216.277  193.103   51.572   75.621   36.686  115.363   18.529 -39.74226 41.10016 
1 1 1   -7  -23   22 f   66.701   19.139   67.753   33.541   97.340  232.970   67.126   33.894   76.727   37.414   66.321   19.300 10.40592 42.09882 
1 1 1   -7  -23   23 o   95.910   18.811  139.428   43.444  355.760  260.128  133.221   44.063   86.702   41.600   92.990   19.594 -6.287766 45.98367 
1 1 1   -7  -23   24 o   66.681   19.453   70.885   34.397 -72.4439  258.799   73.463   34.704   64.947   32.834   67.878   19.465 -2.931190 38.16978 
1 1 1   -7  -22    1 o  322.191   16.584  1322.62  132.978  1398.46  191.085  1251.40  185.173  328.084   23.479  309.940   24.115 18.14450 33.65652 
1 1 1   -7  -22    2 o  180.669   19.885  423.394   88.228  423.394   88.228   0.0000   0.0000  180.669   19.885  ?   ?  0.000000 19.88474 
1 1 1   -7  -22    3 o  218.680   13.643  607.630   74.130  647.818  108.913  572.942  101.184  223.777   19.691  210.433   19.476 13.34358 27.69535 
1 1 1   -7  -22    4 o  132.644   16.967  228.059   54.912   0.0000   0.0000  228.059   54.912  ?   ?   132.644   16.967 0.000000 16.96667 
1 1 1   -7  -22    5 o  153.396   20.542  308.871   76.711  308.871   76.711   0.0000   0.0000  153.396   20.542  ?   ?  0.000000 20.54174 
1 1 1   -7  -22    6 o  228.532   13.869  665.372   78.774  734.007  116.773  608.054  106.713  237.653   19.858  216.105   20.001 21.54745 28.18511 
1 1 1   -7  -22    7 o  106.257   17.360  148.279   44.474   0.0000   0.0000  148.279   44.474  ?   ?   106.257   17.360 0.000000 17.36044 
1 1 1   -7  -22    8 o  383.869   17.958  1896.56  172.142  2201.85  248.462  1614.73  238.721  407.783   24.513  346.145   27.853 61.63760 37.10385 
1 1 1   -7  -22    9 o   87.300   14.676   99.666   30.860  117.990   57.032   92.080   36.695   92.827   24.314   83.001   18.205 9.825928 30.37415 
1 1 1   -7  -22   10 o  151.332   12.964  292.905   48.518  353.977   79.097  256.065   61.433  164.098   19.696  139.858   18.008 24.24039 26.68742 
1 1 1   -7  -22   11 o  126.401   24.057  217.699   73.161  217.699   73.161   0.0000   0.0000  126.401   24.057  ?   ?  0.000000 24.05679 
1 1 1   -7  -22   12 o   83.859   15.424   92.787   31.109  161.461   64.007   71.547   35.597  108.268   24.274   72.877   19.267 35.39079 30.99069 
1 1 1   -7  -22   13 o  121.498   13.892  190.830   41.391  249.859   75.787  165.738   49.412  135.607   23.215  111.699   18.352 23.90765 29.59288 
1 1 1   -7  -22   14 o  113.986   15.006  169.468   41.676  159.457   79.820  173.220   48.865  105.559   29.264  114.355   17.682 -8.795662 34.19094 
1 1 1   -7  -22   15 o   40.268   16.059   11.535   24.313   0.0000   0.0000   11.535   24.313  ?   ?    40.268   16.059 0.000000 16.05950 
1 1 1   -7  -22   16 o  179.033   13.703  413.959   60.796  573.827  106.436  336.540   74.068  206.691   20.909  158.856   19.052 47.83537 28.28676 
1 1 1   -7  -22   17 o   59.308   17.494   47.242   27.681  101.006   72.369   38.028   29.960   84.675   28.712   54.822   18.474 29.85329 34.14167 
1 1 1   -7  -22   18 o   41.791   16.076   16.497   23.631   15.164   64.524   16.703   25.395   58.649   25.007   42.779   16.606 15.86978 30.01884 
1 1 1   -7  -22   19 o   59.594   25.758   14.250   70.222   14.250   70.222   0.0000   0.0000   59.594   25.758  ?   ?  0.000000 25.75768 
1 1 1   -7  -22   20 o  240.671   18.695  799.320  111.475  456.928  168.022  1068.53  148.987  151.452   42.626  273.555   21.996 -122.1032 47.96618 
1 1 1   -7  -22   21 o   57.266   17.817   46.034   28.191   1.5128   77.007   52.924   30.294   57.265   25.747   60.939   18.378 -3.673939 31.63358 
1 1 1   -7  -22   22 o   70.722   19.970   74.936   36.817   0.0000   0.0000   74.936   36.817  ?   ?    70.722   19.970 0.000000 19.97026 
1 1 1   -7  -22   23 o   85.312   19.861  110.435   41.522   0.0000   0.0000  110.435   41.522  ?   ?    85.312   19.861 0.000000 19.86143 
1 1 1   -7  -22   24 o  104.416   19.000  163.925   47.716   27.832  252.207  168.977   48.593   72.344   35.956  105.989   19.060 -33.64520 40.69559 
1 1 1   -7  -22   25 o  140.080   18.776  296.678   64.028  384.069  285.675  292.056   65.699   83.645   40.925  137.913   19.631 -54.26880 45.38998 
1 1 1   -7  -21    1 o  160.728   12.715  327.311   50.619  330.953   76.257  324.442   67.679  160.092   19.476  159.037   17.322 1.054901 26.06433 
1 1 1   -7  -21    2 o  126.081   12.222  202.031   37.996  242.407   59.949  174.921   49.123  136.956   17.962  116.113   17.484 20.84305 25.06614 
1 1 1   -7  -21    4 o   94.961   13.031  115.948   30.086  192.515   51.167   75.489   37.194  121.791   17.311   75.382   19.582 46.40881 26.13700 
1 1 1   -7  -21    5 o  157.270   12.539  314.308   48.834  356.978   75.156  283.129   64.243  166.081   18.432  147.896   17.749 18.18456 25.58885 
1 1 1   -7  -21    6 o  107.946   12.904  149.398   34.095  172.245   56.260  136.137   42.862  114.005   20.516  101.870   17.478 12.13517 26.95201 
1 1 1   -7  -21    7 o  168.495   12.725  361.184   53.147  414.204   81.819  322.484   69.902  178.713   18.606  157.646   18.084 21.06702 25.94643 
1 1 1   -7  -21    8 o  272.655   21.920  972.367  147.987   0.0000   0.0000  972.367  147.987  ?   ?   272.655   21.920 0.000000 21.92034 
1 1 1   -7  -21    9 o   94.603   14.099  116.109   32.290  133.665   58.118  108.270   38.835   99.073   23.791   90.351   17.846 8.721962 29.74001 
1 1 1   -7  -21   10 o  204.411   13.654  533.185   69.296  582.862  105.082  494.958   92.180  211.164   20.173  194.878   19.191 16.28592 27.84323 
1 1 1   -7  -21   11 o  273.414   14.769  956.070  100.461  1127.24  149.175  814.010  135.897  293.833   20.458  248.555   22.126 45.27885 30.13447 
1 1 1   -7  -21   12 f  129.335   24.314  227.515   75.643  227.515   75.643   0.0000   0.0000  129.335   24.314  ?   ?  0.000000 24.31352 
1 1 1   -7  -21   13 o   73.012   16.311   71.020   28.988  101.954   60.887   61.953   32.964   86.471   26.049   68.076   18.780 18.39496 32.11331 
1 1 1   -7  -21   14 o   64.716   17.036   55.954   27.908   89.787   63.439   47.835   31.077   82.113   26.859   60.578   18.683 21.53513 32.71828 
1 1 1   -7  -21   15 o  131.906   15.573  226.404   50.307  113.285   88.845  279.786   61.033   91.789   31.791  146.272   17.028 -54.48332 36.06424 
1 1 1   -7  -21   16 o  172.765   15.481  387.081   66.079  273.047  108.740  453.845   83.203  136.526   32.384  185.929   18.152 -49.40292 37.12458 
1 1 1   -7  -21   17 o  109.859   15.759  158.882   41.994   86.906   77.550  188.745   49.952   82.016   29.584  119.340   17.263 -37.32386 34.25224 
1 1 1   -7  -21   18 f   37.778   15.299   8.7670   22.429   70.872   65.934   0.6395   23.852   74.847   27.235   35.484   15.169 39.36325 31.17453 
1 1 1   -7  -21   19 o   32.464   14.090  -1.9506   21.187 -66.0209   65.414   5.5588   22.395   45.157   21.442   36.272   15.051 8.885006 26.19707 
1 1 1   -7  -21   20 o  226.309   26.808  749.006  148.556  749.006  148.556   0.0000   0.0000  226.309   26.808  ?   ?  0.000000 26.80783 
1 1 1   -7  -21   21 o   86.657   17.714  104.625   37.039   36.834   81.095  122.495   41.635   66.526   28.188   93.550   18.478 -27.02437 33.70472 
1 1 1   -7  -21   22 o   36.890   15.180   8.1585   22.516  -5.1868   75.321   9.4681   23.594   56.063   25.311   38.078   15.588 17.98567 29.72649 
1 1 1   -7  -21   23 o   46.955   17.048   27.447   25.815  -2.9355   79.437   31.034   27.297   56.492   25.699   49.111   17.570 7.381096 31.13056 
1 1 1   -7  -21   24 o   89.342   19.128  118.475   41.387   0.0000   0.0000  118.475   41.387  ?   ?    89.342   19.128 0.000000 19.12756 
1 1 1   -7  -21   26 o   80.583   19.888  101.691   39.778 -149.7677  264.475  107.511   40.236   65.329   33.047   83.107   19.690 -17.77749 38.46764 
1 1 1   -7  -20    1 o  255.483   14.465  824.793   91.904  877.801  133.447  776.968  126.756  262.036   20.559  246.366   20.798 15.67012 29.24387 
1 1 1   -7  -20    2 o  359.454   17.895  1637.46  160.632  1685.07  229.673  1591.87  224.744  361.026   25.642  350.759   25.840 10.26669 36.40386 
1 1 1   -7  -20    3 o  298.286   16.288  1129.35  120.869  1104.95  174.025  1152.09  168.004  292.247   24.060  299.031   22.667 -6.784149 33.05531 
1 1 1   -7  -20    4 f  182.800   12.862  423.169   58.340  474.991   86.985  380.800   78.653  192.394   18.327  172.009   18.608 20.38492 26.11723 
1 1 1   -7  -20    5 o  170.813   19.870  377.889   83.174  377.889   83.174   0.0000   0.0000  170.813   19.870  ?   ?  0.000000 19.87039 
1 1 1   -7  -20    6 o  317.559   16.038  1284.26  126.771  1445.14  182.927  1135.59  175.847  334.065   22.052  294.943   24.085 39.12149 32.65564 
1 1 1   -7  -20    7 f  247.733   13.836  779.378   85.252  920.813  125.629  658.653  116.067  267.448   18.933  225.228   20.874 42.21947 28.18100 
1 1 1   -7  -20    8 o  109.844   13.491  154.985   36.227  152.779   60.653  156.208   45.169  106.428   23.454  109.392   17.095 -2.964050 29.02268 
1 1 1   -7  -20    9 o  286.921   22.606  1077.02  160.658   0.0000   0.0000  1077.02  160.658  ?   ?   286.921   22.606 0.000000 22.60582 
1 1 1   -7  -20   10 o  356.461   18.250  1636.33  161.905  1679.62  233.365  1596.15  224.812  355.279   26.494  346.557   26.170 8.722137 37.24004 
1 1 1   -7  -20   11 o  256.612   14.785  841.160   94.343  916.092  139.490  777.983  128.082  264.717   21.281  243.846   21.246 20.87128 30.07144 
1 1 1   -7  -20   12 o  155.626   13.521  309.830   52.026  321.185   83.751  302.695   66.389  155.456   22.205  152.501   17.766 2.954300 28.43751 
1 1 1   -7  -20   13 o   56.829   17.721   41.462   27.871 -44.2586   58.752   66.356   31.661   46.257   21.427   70.460   17.945 -24.20365 27.94877 
1 1 1   -7  -20   14 o   97.174   15.314  123.449   35.931   89.601   64.001  139.028   43.420   82.413   26.979  102.591   17.581 -20.17818 32.20173 
1 1 1   -7  -20   15 o  119.586   15.073  185.607   44.012   80.988   72.503  246.658   55.385   80.681   28.659  137.660   16.436 -56.97891 33.03745 
1 1 1   -7  -20   16 o   94.445   16.095  117.598   36.599   62.094   68.058  140.180   43.411   73.952   27.538  102.864   17.528 -28.91270 32.64344 
1 1 1   -7  -20   17 o  157.928   14.632  322.158   57.050  268.478   93.734  353.744   71.901  138.053   28.144  164.276   17.813 -26.22324 33.30709 
1 1 1   -7  -20   18 o   76.828   18.997   80.220   36.240   0.0000   0.0000   80.220   36.240  ?   ?    76.828   18.997 0.000000 18.99659 
1 1 1   -7  -20   19 f  133.661   15.533  234.095   50.879  136.985   88.861  281.458   62.059   97.071   31.790  145.893   17.376 -48.82285 36.22908 
1 1 1   -7  -20   20 o   33.549   14.462  -0.8207   22.015 -38.9119   68.854   3.5169   23.235   50.654   23.369   36.073   15.176 14.58136 27.86429 
1 1 1   -7  -20   21 o   83.591   30.115  100.086   80.329  100.086   80.329   0.0000   0.0000   83.591   30.115  ?   ?  0.000000 30.11532 
1 1 1   -7  -20   22 o  198.420   17.327  532.166   84.990  281.059  134.319  699.833  109.756  123.924   38.945  225.258   19.710 -101.3335 43.64869 
1 1 1   -7  -20   23 o   34.829   14.705   3.8365   21.941   18.543   76.655   2.5240   22.900   61.014   26.636   34.963   14.902 26.05043 30.52164 
1 1 1   -7  -20   24 o   72.036   18.459   75.272   33.356   7.3595   84.395   87.845   36.312   59.778   26.908   77.672   18.901 -17.89461 32.88313 
1 1 1   -7  -20   25 o   42.357   16.577   18.407   25.466   0.0000   0.0000   18.407   25.466  ?   ?    42.357   16.577 0.000000 16.57745 
1 1 1   -7  -20   26 o  139.704   19.227  288.415   65.299   0.0000   0.0000  288.415   65.299  ?   ?   139.704   19.227 0.000000 19.22689 
1 1 1   -7  -19    1 o  211.526   18.926  569.807   98.912   0.0000   0.0000  569.807   98.912  ?   ?   211.526   18.926 0.000000 18.92558 
1 1 1   -7  -19    2 o  297.586   22.660  1133.06  167.126   0.0000   0.0000  1133.06  167.126  ?   ?   297.586   22.660 0.000000 22.65978 
1 1 1   -7  -19    3 o  410.632   29.154  2188.81  297.005  2188.81  297.005   0.0000   0.0000  410.632   29.154  ?   ?  0.000000 29.15360 
1 1 1   -7  -19    4 o  312.774   16.521  1240.07  128.581  1264.68  185.352  1217.23  178.523  313.353   23.867  307.562   23.420 5.790985 33.43817 
1 1 1   -7  -19    5 o  104.862   13.455  140.770   34.421  144.104   58.007  138.958   42.764  104.104   22.932  103.405   17.163 0.6995850 28.64365 
1 1 1   -7  -19    6 o  399.270   29.021  2094.99  287.375  2094.99  287.375   0.0000   0.0000  399.270   29.021  ?   ?  0.000000 29.02097 
1 1 1   -7  -19    7 o  138.202   13.383  243.332   45.607  210.539   71.666  265.652   59.124  125.788   23.684  143.672   16.797 -17.88400 29.03548 
1 1 1   -7  -19    8 o  259.449   15.091  856.358   97.352  872.123  142.612  842.601  133.221  259.061   22.261  255.114   21.101 3.946335 30.67254 
1 1 1   -7  -19    9 o  374.007   18.605  1791.34  173.760  1860.87  250.006  1726.38  241.674  375.351   26.850  361.382   26.975 13.96887 38.05965 
1 1 1   -7  -19   10 o  130.615   13.534  218.290   43.504  192.889   69.993  234.280   55.535  119.617   24.262  134.492   16.909 -14.87461 29.57308 
1 1 1   -7  -19   11 o  207.318   19.104  557.136   97.790   0.0000   0.0000  557.136   97.790  ?   ?   207.318   19.104 0.000000 19.10384 
1 1 1   -7  -19   12 o  188.570   13.720  453.529   64.163  430.354   95.927  472.290   86.312  180.858   21.672  190.911   18.330 -10.05301 28.38384 
1 1 1   -7  -19   13 o  156.759   13.383  313.974   51.886  302.282   80.315  322.349   67.975  150.959   21.948  157.584   17.573 -6.624908 28.11650 
1 1 1   -7  -19   14 o  180.992   14.595  419.792   65.405  298.735   98.629  514.815   87.382  147.406   27.814  199.391   17.735 -51.98407 32.98676 
1 1 1   -7  -19   15 o  149.775   22.781  299.983   82.521  299.983   82.521   0.0000   0.0000  149.775   22.781  ?   ?  0.000000 22.78148 
1 1 1   -7  -19   16 o  128.308   14.332  212.365   45.136  177.167   75.475  231.962   56.315  112.807   27.126  133.224   17.338 -20.41758 32.19361 
1 1 1   -7  -19   17 o  118.983   14.747  183.541   42.876  155.637   75.522  196.813   52.084  105.236   28.177  122.376   17.545 -17.13966 33.19327 
1 1 1   -7  -19   18 o   88.153   16.684  103.216   35.381   56.352   68.993  119.938   41.213   72.442   27.563   94.775   18.073 -22.33257 32.95994 
1 1 1   -7  -19   19 o  279.065   22.854  1043.61  157.865   0.0000   0.0000  1043.61  157.865  ?   ?   279.065   22.854 0.000000 22.85362 
1 1 1   -7  -19   20 o  120.003   15.946  189.348   46.602   98.840   85.236  227.940   55.658   86.298   31.029  131.245   17.412 -44.94613 35.58032 
1 1 1   -7  -19   21 o   56.018   17.890   40.957   28.251   12.520   70.865   46.330   30.805   60.952   26.104   59.206   18.657 1.746632 32.08573 
1 1 1   -7  -19   22 o  143.468   15.952  273.005   56.184  153.067   97.901  331.905   68.606   99.157   33.396  157.271   17.781 -58.11382 37.83424 
1 1 1   -7  -19   23 o  131.066   15.819  230.081   50.730  187.225   94.214  247.580   60.202  107.215   32.427  134.478   18.410 -27.26311 37.28917 
1 1 1   -7  -19   24 o   88.006   17.354  107.932   36.782   88.976   84.050  112.422   40.907   78.234   30.256   89.018   18.982 -10.78399 35.71712 
1 1 1   -7  -19   25 o  128.798   15.944  227.615   50.186  203.104  100.179  235.828   57.987  105.080   33.703  129.210   18.499 -24.12973 38.44621 
1 1 1   -7  -19   26 o   95.001   19.247  132.314   44.096   0.0000   0.0000  132.314   44.096  ?   ?    95.001   19.247 0.000000 19.24702 
1 1 1   -7  -19   27 o   36.561   15.404   6.5598   23.997   0.0000   0.0000   6.5598   23.997  ?   ?    36.561   15.404 0.000000 15.40394 
1 1 1   -7  -18    1 o  253.354   20.595  815.910  129.171   0.0000   0.0000  815.910  129.171  ?   ?   253.354   20.595 0.000000 20.59504 
1 1 1   -7  -18    2 f  202.699   19.618  523.592   98.059  523.592   98.059   0.0000   0.0000  202.699   19.618  ?   ?  0.000000 19.61787 
1 1 1   -7  -18    3 o  264.790   21.151  893.782  138.688   0.0000   0.0000  893.782  138.688  ?   ?   264.790   21.151 0.000000 21.15067 
1 1 1   -7  -18    4 o  388.192   19.301  1907.28  187.098  1765.83  265.872  2046.05  263.338  369.346   29.061  398.843   26.592 -29.49686 39.39160 
1 1 1   -7  -18    5 f  111.225   13.206  157.705   35.964  105.511   54.753  197.311   47.695   89.348   24.021  124.120   15.742 -34.77150 28.71938 
1 1 1   -7  -18    6 o  155.990   12.652  308.024   48.858  312.321   72.959  304.531   65.787  155.734   19.165  154.165   17.392 1.568924 25.88014 
1 1 1   -7  -18    7 o  154.211   19.362  307.128   72.920  307.128   72.920   0.0000   0.0000  154.211   19.362  ?   ?  0.000000 19.36238 
1 1 1   -7  -18    8 o  106.558   13.107  145.268   34.141  141.234   53.716  148.002   44.223  103.164   21.546  106.691   17.182 -3.526619 27.55802 
1 1 1   -7  -18    9 o  240.828   15.134  737.553   90.551  598.826  130.517  866.300  125.734  213.506   24.950  259.564   19.541 -46.05814 31.69201 
1 1 1   -7  -18   10 o  250.179   15.099  796.696   93.886  747.246  136.167  841.507  129.623  239.234   23.079  255.125   20.520 -15.89061 30.88207 
1 1 1   -7  -18   11 o  259.006   15.309  855.155   98.576  815.447  142.854  891.249  136.200  249.628   23.181  262.116   20.984 -12.48801 31.26822 
1 1 1   -7  -18   12 o  199.394   18.828  514.513   92.639   0.0000   0.0000  514.513   92.639  ?   ?   199.394   18.828 0.000000 18.82787 
1 1 1   -7  -18   13 o  151.021   13.366  291.179   49.887  275.992   77.627  301.864   65.112  144.240   22.268  152.656   17.391 -8.415985 28.25453 
1 1 1   -7  -18   14 o  183.687   14.242  431.207   64.818  348.142   97.365  497.319   86.863  161.033   25.025  196.077   17.939 -35.04384 30.79049 
1 1 1   -7  -18   15 o  101.764   13.970  133.917   34.565  170.811   60.815  116.313   42.009  112.639   22.409   93.516   18.643 19.12307 29.15046 
1 1 1   -7  -18   16 o  233.723   22.768  721.364  131.197  721.364  131.197   0.0000   0.0000  233.723   22.768  ?   ?  0.000000 22.76772 
1 1 1   -7  -18   17 o  113.677   14.798  167.445   41.012  126.974   70.968  187.737   50.253   95.898   27.933  119.720   17.312 -23.82120 32.86231 
1 1 1   -7  -18   18 o  118.037   15.004  180.737   43.226  131.571   75.288  204.914   52.795   97.273   28.891  125.046   17.377 -27.77328 33.71432 
1 1 1   -7  -18   19 o  175.439   15.405  397.390   66.806  252.486  105.177  495.390   86.495  132.317   32.148  194.919   17.972 -62.60176 36.83086 
1 1 1   -7  -18   20 o  276.465   22.693  1020.62  155.290   0.0000   0.0000  1020.62  155.290  ?   ?   276.465   22.693 0.000000 22.69341 
1 1 1   -7  -18   21 o  143.164   15.415  267.115   54.242  184.537   94.621  307.536   66.200  111.824   32.162  152.759   17.681 -40.93482 36.70173 
1 1 1   -7  -18   22 f   99.386   16.651  131.874   39.865   84.887   81.239  146.777   45.752   81.343   30.127  104.356   18.219 -23.01319 35.20788 
1 1 1   -7  -18   23 o  183.465   15.979  443.844   72.475  319.402  118.627  517.956   91.547  142.769   33.798  196.268   18.913 -53.49950 38.72940 
1 1 1   -7  -18   24 o   99.457   31.275  156.519   86.609  156.519   86.609   0.0000   0.0000   99.457   31.275  ?   ?  0.000000 31.27543 
1 1 1   -7  -18   25 o  122.542   15.862  203.105   47.399  194.475   95.973  205.890   54.511  107.162   32.797  121.778   18.508 -14.61607 37.65859 
1 1 1   -7  -18   26 o  100.292   17.491  141.039   42.212   71.735   93.127  158.960   47.357   73.831   30.670  105.889   18.587 -32.05799 35.86274 
1 1 1   -7  -18   27 o   80.763   19.687   96.616   39.344   0.0000   0.0000   96.616   39.344  ?   ?    80.763   19.687 0.000000 19.68675 
1 1 1   -7  -18   28 o   39.577   16.104   12.643   24.987   0.0000   0.0000   12.643   24.987  ?   ?    39.577   16.104 0.000000 16.10356 
1 1 1   -7  -18   29 o   49.572   17.878   33.213   28.318   0.0000   0.0000   33.213   28.318  ?   ?    49.572   17.878 0.000000 17.87760 
1 1 1   -7  -17    1 o  181.726   12.935  415.943   58.317  428.254   85.277  405.129   79.927  183.528   18.876  178.571   18.177 4.956879 26.20545 
1 1 1   -7  -17    2 o  536.941   24.203  3650.90  324.522  3893.13  460.566  3412.04  457.337  549.922   33.701  513.661   35.879 36.26129 49.22474 
1 1 1   -7  -17    3 o  545.602   25.074  3779.17  341.623  3665.80  484.043  3891.70  482.218  531.245   36.712  548.163   35.417 -16.91809 51.01131 
1 1 1   -7  -17    4 o  113.140   17.112  164.743   46.836   0.0000   0.0000  164.743   46.836  ?   ?   113.140   17.112 0.000000 17.11187 
1 1 1   -7  -17    5 o  291.981   15.460  1075.78  112.324  1162.15  161.232  994.338  156.570  302.057   21.516  278.970   22.671 23.08725 31.25565 
1 1 1   -7  -17    6 f  100.044   13.223  127.924   32.226  133.636   50.982  124.123   41.588  100.837   20.932   97.679   17.701 3.157875 27.41285 
1 1 1   -7  -17    7 o  108.553   13.097  150.285   34.785  133.756   53.894  162.088   45.542  100.597   22.061  112.087   16.788 -11.48969 27.72201 
1 1 1   -7  -17    8 o  248.915   21.466  795.937  132.125  795.937  132.125   0.0000   0.0000  248.915   21.466  ?   ?  0.000000 21.46592 
1 1 1   -7  -17    9 o  311.279   16.504  1230.75  127.827  1254.19  183.246  1208.54  178.401  311.445   23.740  305.780   23.545 5.664642 33.43574 
1 1 1   -7  -17   10 o  139.423   12.689  247.015   43.696  262.074   66.946  235.838   57.675  142.069   19.375  135.137   17.502 6.931808 26.10984 
1 1 1   -7  -17   11 o  156.892   13.051  312.873   50.670  301.642   76.584  321.616   67.574  152.012   20.714  158.018   17.414 -6.006424 27.06130 
1 1 1   -7  -17   12 o   70.395   15.316   65.276   26.159   71.993   47.163   62.292   31.438   74.436   23.026   68.601   18.092 5.834534 29.28335 
1 1 1   -7  -17   13 o  164.410   17.796  349.365   71.896   0.0000   0.0000  349.365   71.896  ?   ?   164.410   17.796 0.000000 17.79569 
1 1 1   -7  -17   14 o  186.144   14.129  441.989   65.188  368.096   97.537  501.641   87.635  166.341   24.190  197.127   18.001 -30.78606 30.15287 
1 1 1   -7  -17   15 o  146.798   13.744  275.635   49.798  227.026   77.446  309.899   65.022  129.619   24.830  154.766   17.110 -25.14709 30.15485 
1 1 1   -7  -17   16 o  300.192   16.909  1156.91  126.238  1098.14  183.251  1209.99  174.153  287.280   25.820  303.446   23.157 -16.16550 34.68322 
1 1 1   -7  -17   17 o   70.896   25.285   59.126   56.494   59.126   56.494   0.0000   0.0000   70.896   25.285  ?   ?  0.000000 25.28544 
1 1 1   -7  -17   18 o  192.145   14.288  472.466   68.065  459.911  105.441  481.435   89.121  185.950   23.213  192.294   18.800 -6.344238 29.87082 
1 1 1   -7  -17   19 o  214.335   15.260  589.960   81.144  510.440  123.771  649.903  107.461  194.135   26.200  223.116   19.483 -28.98068 32.64988 
1 1 1   -7  -17   20 o   76.617   17.489   78.581   32.725   53.217   69.340   85.849   37.119   71.894   27.566   79.854   18.907 -7.959717 33.42661 
1 1 1   -7  -17   21 o  107.164   18.378  152.821   47.412   0.0000   0.0000  152.821   47.412  ?   ?   107.164   18.378 0.000000 18.37839 
1 1 1   -7  -17   22 o   80.282   17.239   86.604   33.529  148.920   78.205   72.570   37.113  101.884   29.221   73.085   19.830 28.79927 35.31419 
1 1 1   -7  -17   23 o  132.340   15.393  229.436   49.921  194.787   92.335  243.746   59.341  114.287   31.391  135.335   18.006 -21.04795 36.18850 
1 1 1   -7  -17   24 f   50.385   17.514   30.933   26.976   81.409   77.747   24.025   28.763   79.076   29.436   47.721   17.876 31.35454 34.43887 
1 1 1   -7  -17   25 o  162.036   29.947  399.240  116.713  399.240  116.713   0.0000   0.0000  162.036   29.947  ?   ?  0.000000 29.94723 
1 1 1   -7  -17   26 o   70.832   18.414   70.767   32.872   78.887   93.131   69.612   35.133   77.601   31.262   70.012   19.417 7.589157 36.80119 
1 1 1   -7  -17   27 o   60.144   27.063   2.5159   85.272   2.5159   85.272   0.0000   0.0000   60.144   27.063  ?   ?  0.000000 27.06292 
1 1 1   -7  -17   28 o   35.041   15.002   2.5975   23.391   0.0000   0.0000   2.5975   23.391  ?   ?    35.041   15.002 0.000000 15.00165 
1 1 1   -7  -17   29 o   43.416   16.910   20.008   26.399   0.0000   0.0000   20.008   26.399  ?   ?    43.416   16.910 0.000000 16.90991 
1 1 1   -7  -17   30 o   46.194   17.522   25.907   27.829   0.0000   0.0000   25.907   27.829  ?   ?    46.194   17.522 0.000000 17.52211 
1 1 1   -7  -17   31 o   39.878   16.349   13.520   25.998   0.0000   0.0000   13.520   25.998  ?   ?    39.878   16.349 0.000000 16.34856 
1 1 1   -7  -16    1 o  261.780   21.419  868.657  138.794  868.657  138.794   0.0000   0.0000  261.780   21.419  ?   ?  0.000000 21.41920 
1 1 1   -7  -16    2 o  512.391   23.066  3313.17  295.142  3597.50  418.981  3033.12  415.825  530.522   31.772  485.960   34.490 44.56213 46.89344 
1 1 1   -7  -16    3 o  617.750   27.381  4842.54  422.387  5171.52  598.987  4517.15  595.718  632.626   38.093  589.694   40.703 42.93231 55.74828 
1 1 1   -7  -16    4 o  256.481   14.636  828.218   93.353  845.251  134.056  812.181  130.074  258.000   20.989  252.914   20.779 5.086899 29.53505 
1 1 1   -7  -16    5 o  272.616   21.475  944.950  145.012   0.0000   0.0000  944.950  145.012  ?   ?   272.616   21.475 0.000000 21.47504 
1 1 1   -7  -16    6 o  698.820   31.230  6275.28  544.989  6475.12  772.263  6077.01  769.207  698.585   44.500  675.451   45.875 23.13391 63.91270 
1 1 1   -7  -16    7 o  123.835   12.716  194.511   38.766  198.079   58.905  191.786   51.488  123.667   19.738  122.132   17.372 1.534874 26.29352 
1 1 1   -7  -16    8 o  301.664   15.978  1150.46  119.939  1204.85  172.122  1099.11  167.222  306.862   22.621  292.879   23.050 13.98325 32.29605 
1 1 1   -7  -16    9 o  271.039   15.053  929.091  101.481  983.416  146.301  878.714  140.885  277.141   21.303  261.746   21.751 15.39493 30.44537 
1 1 1   -7  -16   10 o  388.785   28.127  1970.59  271.228  1970.59  271.228   0.0000   0.0000  388.785   28.127  ?   ?  0.000000 28.12651 
1 1 1   -7  -16   11 o  217.477   14.173  599.658   76.550  555.946  111.457  638.688  105.320  207.181   21.874  223.126   19.086 -15.94482 29.02974 
1 1 1   -7  -16   12 o  147.608   13.248  277.176   48.314  239.718   73.168  306.136   64.335  134.782   22.535  154.314   16.976 -19.53265 28.21309 
1 1 1   -7  -16   13 o  152.034   12.956  293.966   48.718  307.383   74.469  283.927   64.416  153.665   19.872  148.214   17.758 5.451019 26.65013 
1 1 1   -7  -16   14 o   76.997   18.162   78.756   34.355   0.0000   0.0000   78.756   34.355  ?   ?    76.997   18.162 0.000000 18.16180 
1 1 1   -7  -16   15 o  167.542   13.938  358.110   57.786  287.387   87.647  412.489   76.855  146.494   24.847  178.873   17.427 -32.37866 30.34920 
1 1 1   -7  -16   16 o  188.523   14.155  453.430   66.151  395.384   99.293  499.755   88.703  172.675   23.648  196.622   18.275 -23.94710 29.88672 
1 1 1   -7  -16   17 o  211.388   14.630  570.672   76.751  514.958  114.787  615.720  103.217  197.164   23.795  217.917   19.162 -20.75287 30.55146 
1 1 1   -7  -16   18 o  204.149   22.355  548.964  112.104  548.964  112.104   0.0000   0.0000  204.149   22.355  ?   ?  0.000000 22.35532 
1 1 1   -7  -16   19 o  121.699   14.430  190.978   43.000  189.817   74.367  191.561   52.703  117.599   26.013  120.852   18.014 -3.253593 31.64173 
1 1 1   -7  -16   20 o  100.684   15.638  132.439   38.042  110.618   71.393  141.092   44.956   90.369   28.392  103.278   18.091 -12.90882 33.66567 
1 1 1   -7  -16   21 o   60.216   17.609   47.706   28.154   79.717   66.487   40.712   31.077   79.377   27.501   57.067   18.806 22.31091 33.31610 
1 1 1   -7  -16   22 o  125.934   15.323  206.080   47.194  170.861   86.835  220.844   56.222  109.376   30.594  129.566   17.850 -20.19021 35.42064 
1 1 1   -7  -16   23 o  221.094   17.277  637.313   94.632  386.443  147.634  812.275  123.291  159.349   37.692  247.975   20.083 -88.62584 42.70789 
1 1 1   -7  -16   24 o  118.702   16.034  185.626   46.311  120.842   89.498  209.316   54.120   92.608   31.917  125.460   17.772 -32.85120 36.53143 
1 1 1   -7  -16   25 o   82.012   18.021   91.954   35.899   68.700   85.008   97.001   39.604   77.177   30.265   83.849   19.312 -6.672348 35.90180 
1 1 1   -7  -16   26 o   75.842   30.508   65.629   88.544   65.629   88.544   0.0000   0.0000   75.842   30.508  ?   ?  0.000000 30.50753 
1 1 1   -7  -16   27 o   80.671   18.740   91.694   37.030 -11.6094   87.196  114.424   40.902   59.847   27.107   90.333   18.746 -30.48579 32.95744 
1 1 1   -7  -16   28 o   44.268   16.844   20.967   25.766  102.735   87.866   13.275   26.950   81.061   31.042   41.494   16.782 39.56635 35.28816 
1 1 1   -7  -16   29 o  132.555   16.679  243.967   53.986  164.261  108.374  270.275   62.262   92.707   34.705  138.041   18.530 -45.33447 39.34211 
1 1 1   -7  -16   30 o   35.130   15.059   2.8425   23.626   0.0000   0.0000   2.8425   23.626  ?   ?    35.130   15.059 0.000000 15.05925 
1 1 1   -7  -16   31 o  100.448   19.773  151.400   47.833   0.0000   0.0000  151.400   47.833  ?   ?   100.448   19.773 0.000000 19.77325 
1 1 1   -7  -16   32 o   37.628   15.866   8.1037   25.493   0.0000   0.0000   8.1037   25.493  ?   ?    37.628   15.866 0.000000 15.86639 
1 1 1   -7  -15    1 o  431.116   29.443  2364.83  315.079  2364.83  315.079   0.0000   0.0000  431.116   29.443  ?   ?  0.000000 29.44281 
1 1 1   -7  -15    2 o  141.062   12.301  250.992   42.899  261.047   62.140  241.836   59.297  143.118   17.769  137.688   17.652 5.430344 25.04714 
1 1 1   -7  -15    3 o  219.172   13.448  604.037   73.248  668.450  105.572  544.247  101.712  229.914   18.546  207.085   19.914 22.82907 27.21236 
1 1 1   -7  -15    4 o  593.915   26.237  4464.65  389.121  4844.54  552.128  4089.74  548.489  613.957   36.172  562.481   39.296 51.47638 53.40961 
1 1 1   -7  -15    5 o  475.428   22.143  2852.41  262.892  2873.12  372.998  2831.97  370.585  473.531   31.727  470.104   31.754 3.426941 44.88763 
1 1 1   -7  -15    6 o  149.935   17.486  286.528   64.239   0.0000   0.0000  286.528   64.239  ?   ?   149.935   17.486 0.000000 17.48558 
1 1 1   -7  -15    7 o   77.708   15.005   78.408   28.064   44.469   45.396   99.403   35.704   63.758   22.674   87.417   16.968 -23.65867 28.31974 
1 1 1   -7  -15    8 o  162.966   13.064  335.466   52.716  300.578   77.720  365.193   71.742  152.761   20.924  169.398   17.198 -16.63687 27.08458 
1 1 1   -7  -15    9 o  279.483   15.730  986.881  109.334  924.487  156.623  1046.18  152.695  268.494   23.599  286.354   21.511 -17.85956 31.93190 
1 1 1   -7  -15   10 o  505.308   23.135  3257.44  291.924  3478.85  415.049  3040.67  410.672  516.089   32.369  480.992   34.418 35.09756 47.24774 
1 1 1   -7  -15   11 o  335.368   25.346  1453.86  210.703  1453.86  210.703   0.0000   0.0000  335.368   25.346  ?   ?  0.000000 25.34644 
1 1 1   -7  -15   12 o  261.917   15.207  869.893   99.034  845.660  142.880  892.300  137.393  255.879   22.593  263.453   21.060 -7.574097 30.88603 
1 1 1   -7  -15   13 o  284.331   15.961  1027.87  112.867  996.006  162.628  1057.48  156.769  276.886   23.750  286.084   22.116 -9.197968 32.45280 
1 1 1   -7  -15   14 o  159.126   13.382  322.060   52.681  286.559   79.526  349.821   70.324  147.622   22.265  164.905   17.337 -17.28343 28.21889 
1 1 1   -7  -15   15 o  150.269   13.745  287.998   51.008  239.411   79.523  321.961   66.487  133.725   24.724  158.082   17.116 -24.35643 30.07071 
1 1 1   -7  -15   16 o   67.579   16.401   60.448   27.398   65.905   53.145   58.472   31.974   72.944   24.605   66.584   18.543 6.360085 30.81012 
1 1 1   -7  -15   17 o  223.598   14.010  636.295   77.829  706.584  116.796  580.153  104.382  233.344   20.244  211.380   20.013 21.96349 28.46681 
1 1 1   -7  -15   18 o  110.618   13.695  157.395   37.021  230.952   65.484  122.841   44.882  132.341   20.476   96.108   19.370 36.23227 28.18619 
1 1 1   -7  -15   19 o  161.851   13.551  334.449   54.263  376.821   87.211  307.683   69.315  169.368   21.076  153.752   18.420 15.61572 27.99082 
1 1 1   -7  -15   20 f  222.770   23.093  655.262  126.598  655.262  126.598   0.0000   0.0000  222.770   23.093  ?   ?  0.000000 23.09273 
1 1 1   -7  -15   21 o  117.154   14.748  177.493   42.191  189.751   77.050  172.243   50.422  117.194   26.898  114.358   18.272 2.836021 32.51659 
1 1 1   -7  -15   22 o  102.731   15.481  137.757   38.482  192.039   77.725  120.130   44.291  117.620   27.030   94.710   19.380 22.90955 33.25934 
1 1 1   -7  -15   23 o  111.483   15.516  162.122   42.024  198.892   84.087  149.881   48.517  118.729   28.682  106.014   19.026 12.71510 34.41886 
1 1 1   -7  -15   24 o  153.469   18.320  310.220   68.824   0.0000   0.0000  310.220   68.824  ?   ?   153.469   18.320 0.000000 18.32049 
1 1 1   -7  -15   25 o  219.365   16.908  629.331   91.908  459.392  147.025  738.336  117.752  174.912   34.884  235.473   20.221 -60.56152 40.32106 
1 1 1   -7  -15   26 o   74.361   29.263   60.812   79.732   60.812   79.732   0.0000   0.0000   74.361   29.263  ?   ?  0.000000 29.26285 
1 1 1   -7  -15   27 f   50.610   18.683   28.947   31.193 -144.5818   82.290   58.065   33.709   43.793   21.536   64.945   19.341 -21.15246 28.94632 
1 1 1   -7  -15   28 o  178.878   16.879  431.474   74.507  245.860  124.925  533.951   92.823  117.040   37.646  197.153   19.093 -80.11252 42.21122 
1 1 1   -7  -15   29 o  178.269   16.398  431.949   72.179  357.014  127.240  467.504   87.645  141.126   35.992  182.504   19.535 -41.37793 40.95145 
1 1 1   -7  -15   30 o   88.197   18.378  111.631   39.163   67.794   98.833  119.796   42.654   72.905   31.014   90.806   19.399 -17.90069 36.58169 
1 1 1   -7  -15   31 o  144.411   19.348  301.972   68.020   0.0000   0.0000  301.972   68.020  ?   ?   144.411   19.348 0.000000 19.34830 
1 1 1   -7  -15   32 o   59.529   19.245   52.335   32.615   0.0000   0.0000   52.335   32.615  ?   ?    59.529   19.245 0.000000 19.24490 
1 1 1   -7  -15   33 o   56.322   19.316   47.018   32.759   0.0000   0.0000   47.018   32.759  ?   ?    56.322   19.316 0.000000 19.31583 
1 1 1   -7  -14    1 o  559.441   25.307  3946.67  353.543  3973.61  500.617  3919.86  499.355  557.397   36.161  553.540   36.327 3.857239 51.25675 
1 1 1   -7  -14    2 o  298.319   22.741  1126.69  168.136  1126.69  168.136   0.0000   0.0000  298.319   22.741  ?   ?  0.000000 22.74114 
1 1 1   -7  -14    3 o  258.608   14.437  840.506   92.861  937.057  132.478  747.244  130.202  272.392   19.607  242.744   21.708 29.64804 29.25221 
1 1 1   -7  -14    4 o  255.722   14.371  822.002   91.398  904.049  130.824  743.773  127.744  267.464   19.726  242.192   21.340 25.27229 29.06061 
1 1 1   -7  -14    5 o  770.206   33.764  7563.87  649.398  7960.43  919.910  7169.93  916.871  781.072   47.387  739.375   49.951 41.69647 68.85270 
1 1 1   -7  -14    6 o  333.755   16.565  1398.54  138.061  1549.65  197.202  1253.28  193.350  349.766   22.701  313.921   24.868 35.84503 33.67103 
1 1 1   -7  -14    7 o  442.136   30.041  2500.99  329.709   0.0000   0.0000  2500.99  329.709  ?   ?   442.136   30.041 0.000000 30.04058 
1 1 1   -7  -14    8 o  364.401   17.784  1671.33  161.832  1791.58  231.665  1556.73  226.164  375.071   24.875  349.152   26.129 25.91919 36.07621 
1 1 1   -7  -14    9 o  352.735   17.381  1567.11  153.100  1694.64  218.806  1444.79  214.298  364.577   24.171  336.032   25.734 28.54428 35.30497 
1 1 1   -7  -14   10 o  134.953   12.856  230.684   42.800  231.970   64.847  229.690   56.972  134.009   19.989  133.861   17.459 0.1479187 26.54053 
1 1 1   -7  -14   11 o  478.229   22.425  2910.40  267.803  2952.03  380.654  2869.61  376.837  475.937   32.218  469.131   32.365 6.806305 45.66697 
1 1 1   -7  -14   12 o  197.630   20.163  501.270   98.112  501.270   98.112   0.0000   0.0000  197.630   20.163  ?   ?  0.000000 20.16255 
1 1 1   -7  -14   13 o  127.318   12.981  206.185   40.694  216.290   62.840  198.887   53.404  128.840   20.195  124.029   17.748 4.810898 26.88594 
1 1 1   -7  -14   14 o  115.268   13.591  169.897   38.369  149.513   60.693  183.467   49.521  105.788   23.577  119.061   17.151 -13.27283 29.15530 
1 1 1   -7  -14   15 o   66.232   16.097   57.860   26.362   63.899   47.108   55.106   31.810   71.245   23.138   64.942   18.639 6.303246 29.71143 
1 1 1   -7  -14   16 o  183.286   13.633  427.048   61.951  414.552   93.162  436.954   82.949  178.297   21.348  184.128   18.282 -5.831085 28.10668 
1 1 1   -7  -14   17 o  259.402   21.347  873.304  137.053   0.0000   0.0000  873.304  137.053  ?   ?   259.402   21.347 0.000000 21.34696 
1 1 1   -7  -14   18 o  219.385   14.907  613.866   81.183  530.593  120.287  683.531  110.020  200.272   24.567  229.952   19.339 -29.68010 31.26558 
1 1 1   -7  -14   19 o  122.849   13.904  193.681   41.904  198.326   70.446  191.137   52.129  121.335   24.100  121.012   17.781 0.3219452 29.94901 
1 1 1   -7  -14   20 o  183.181   13.631  427.704   61.906  499.902   98.699  380.881   79.484  195.732   20.497  171.171   18.911 24.56187 27.88807 
1 1 1   -7  -14   21 o   70.245   26.283   52.343   62.139   52.343   62.139   0.0000   0.0000   70.245   26.283  ?   ?  0.000000 26.28278 
1 1 1   -7  -14   22 o  110.703   14.953  158.822   40.278  194.925   74.845  144.103   47.789  119.259   25.875  104.203   19.068 15.05581 32.14212 
1 1 1   -7  -14   23 o  103.802   15.915  140.831   39.939  142.295   78.502  140.320   46.392  101.108   29.357  102.777   18.767 -1.669342 34.84330 
1 1 1   -7  -14   24 o  162.204   15.261  339.540   61.087  255.884  101.916  386.446   76.315  134.009   31.061  172.077   18.027 -38.06818 35.91364 
1 1 1   -7  -14   25 o  319.913   25.113  1383.39  199.009   0.0000   0.0000  1383.39  199.009  ?   ?   319.913   25.113 0.000000 25.11270 
1 1 1   -7  -14   26 o  182.806   15.748  435.042   71.187  349.789  118.319  483.412   89.122  154.540   31.722  191.085   18.926 -36.54546 36.93888 
1 1 1   -7  -14   27 o   52.060   18.022   33.157   28.548 -25.0896   79.943   41.671   30.563   57.253   25.942   56.784   18.646 0.4690742 31.94761 
1 1 1   -7  -14   28 o  138.665   15.435  254.624   52.541  278.519  103.662  246.364   60.949  134.063   31.499  134.682   18.620 -0.6184387 36.59059 
1 1 1   -7  -14   29 o   96.251   18.240  128.533   42.237   52.740   94.030  147.691   47.275   72.906   30.592  102.874   19.106 -29.96754 36.06833 
1 1 1   -7  -14   30 o   51.033   18.061   33.016   28.769   69.871   94.773   29.275   30.193   74.725   30.982   49.695   18.374 25.02981 36.02101 
1 1 1   -7  -14   31 o  124.972   17.431  218.254   52.918  120.454  117.289  243.250   59.296   84.066   34.625  131.068   18.642 -47.00169 39.32430 
1 1 1   -7  -14   32 o  159.798   19.563  369.252   76.433   0.0000   0.0000  369.252   76.433  ?   ?   159.798   19.563 0.000000 19.56263 
1 1 1   -7  -14   33 o   60.277   19.422   53.719   33.240   0.0000   0.0000   53.719   33.240  ?   ?    60.277   19.422 0.000000 19.42216 
1 1 1   -7  -14   34 o   47.658   18.136   28.527   29.871   0.0000   0.0000   28.527   29.871  ?   ?    47.658   18.136 0.000000 18.13552 
1 1 1   -7  -13    1 o  713.394   31.546  6448.80  561.991  6418.07  795.178  6479.46  794.373  704.864   45.418  708.384   45.141 -3.519531 64.03520 
1 1 1   -7  -13    2 o  313.311   16.200  1233.77  126.314  1292.55  179.520  1176.14  177.763  319.730   22.630  304.756   23.541 14.97418 32.65421 
1 1 1   -7  -13    3 o  349.713   17.180  1533.96  150.036  1684.96  213.245  1385.94  211.137  365.063   23.517  330.505   25.786 34.55771 34.89930 
1 1 1   -7  -13    4 o  412.525   28.420  2161.84  290.980  2161.84  290.980   0.0000   0.0000  412.525   28.420  ?   ?  0.000000 28.41967 
1 1 1   -7  -13    5 o  143.077   12.439  258.180   44.002  254.940   63.925  261.098   60.661  141.297   18.566  143.226   17.312 -1.929077 25.38521 
1 1 1   -7  -13    6 o  190.969   12.322  458.453   58.447  589.229   85.299  342.718   80.245  216.177   15.913  163.907   20.021 52.27052 25.57486 
1 1 1   -7  -13    7 o  829.973   35.768  8810.11  741.324  9691.77  1050.85  7936.68  1045.94  860.316   49.118  774.172   54.449 86.14343 73.33005 
1 1 1   -7  -13    8 o  258.464   14.646  840.517   94.141  887.296  135.235  796.535  131.130  264.615   20.629  250.531   21.158 14.08366 29.54981 
1 1 1   -7  -13    9 o  197.570   18.658  495.673   90.961   0.0000   0.0000  495.673   90.961  ?   ?   197.570   18.658 0.000000 18.65766 
1 1 1   -7  -13   10 o  308.598   16.185  1200.78  124.291  1264.71  177.887  1139.80  173.734  315.260   22.748  299.023   23.455 16.23694 32.67426 
1 1 1   -7  -13   11 o  273.349   15.307  942.681  104.063  953.443  149.395  932.539  145.036  273.404   22.070  270.477   21.655 2.927185 30.91930 
1 1 1   -7  -13   12 o  230.829   13.806  672.221   79.213  756.290  115.356  597.209  108.966  243.785   19.102  216.152   20.430 27.63298 27.96856 
1 1 1   -7  -13   13 o  180.525   19.928  418.462   88.337  418.462   88.337   0.0000   0.0000  180.525   19.928  ?   ?  0.000000 19.92752 
1 1 1   -7  -13   14 f  284.752   15.940  1028.00  112.891  986.506  162.068  1067.11  157.342  276.398   23.710  288.178   22.031 -11.77957 32.36575 
1 1 1   -7  -13   15 o  171.100   13.190  371.171   55.921  377.491   83.853  366.109   75.046  170.903   20.028  168.803   18.085 2.099716 26.98460 
1 1 1   -7  -13   16 o  157.482   13.757  315.564   53.559  231.300   80.303  383.084   71.882  131.520   25.370  172.875   16.866 -41.35533 30.46453 
1 1 1   -7  -13   17 o  210.913   13.845  564.850   72.517  597.354  107.735  537.923   98.056  214.913   20.315  204.141   19.471 10.77174 28.13974 
1 1 1   -7  -13   18 o  232.802   20.251  701.139  116.558   0.0000   0.0000  701.139  116.558  ?   ?   232.802   20.251 0.000000 20.25129 
1 1 1   -7  -13   19 o  244.025   15.151  759.021   91.870  723.392  135.007  789.747  125.375  234.960   23.318  246.869   20.523 -11.90929 31.06323 
1 1 1   -7  -13   20 o  104.011   15.235  140.262   38.397   78.956   65.435  172.458   47.420   79.716   27.300  115.076   17.015 -35.36024 32.16817 
1 1 1   -7  -13   21 o  172.502   13.665  379.429   58.384  430.400   93.144  346.443   74.931  181.381   20.950  163.291   18.714 18.09018 28.09076 
1 1 1   -7  -13   22 o   98.705   27.441  133.549   70.084  133.549   70.084   0.0000   0.0000   98.705   27.441  ?   ?  0.000000 27.44117 
1 1 1   -7  -13   23 o  205.296   15.520  540.541   78.977  424.630  121.964  624.239  103.640  176.193   28.709  219.251   19.121 -43.05731 34.49331 
1 1 1   -7  -13   24 o  191.003   19.095  475.723   89.856   0.0000   0.0000  475.723   89.856  ?   ?   191.003   19.095 0.000000 19.09491 
1 1 1   -7  -13   25 o  244.241   25.558  803.256  153.575  803.256  153.575   0.0000   0.0000  244.241   25.558  ?   ?  0.000000 25.55821 
1 1 1   -7  -13   26 o  107.959   18.774  155.530   48.777   0.0000   0.0000  155.530   48.777  ?   ?   107.959   18.774 0.000000 18.77440 
1 1 1   -7  -13   27 o  146.053   14.799  277.212   53.232  351.191  101.647  249.256   62.485  158.314   26.659  136.801   18.787 21.51396 32.61337 
1 1 1   -7  -13   28 o   69.740   18.622   66.598   33.041   33.622   86.936   72.165   35.721   70.114   29.418   72.431   19.372 -2.317131 35.22376 
1 1 1   -7  -13   29 o   65.517   18.665   59.135   32.015   52.440   89.644   60.114   34.276   73.501   30.272   66.033   19.464 7.468750 35.98890 
1 1 1   -7  -13   30 o   66.376   29.026   20.068   91.367   20.068   91.367   0.0000   0.0000   66.376   29.026  ?   ?  0.000000 29.02584 
1 1 1   -7  -13   31 o   94.031   18.385  124.551   41.622   20.070  102.126  145.363   45.580   67.400   30.024  101.608   18.651 -34.20847 35.34496 
1 1 1   -7  -13   32 o   94.155   18.393  126.448   41.694   91.704  112.954  131.929   44.863   78.951   33.350   95.537   19.465 -16.58533 38.61516 
1 1 1   -7  -13   33 o   83.940   19.883  104.475   41.037   0.0000   0.0000  104.475   41.037  ?   ?    83.940   19.883 0.000000 19.88314 
1 1 1   -7  -13   34 o   93.183   19.893  130.116   44.882   0.0000   0.0000  130.116   44.882  ?   ?    93.183   19.893 0.000000 19.89334 
1 1 1   -7  -13   35 o   50.644   18.488   34.937   30.419   0.0000   0.0000   34.937   30.419  ?   ?    50.644   18.488 0.000000 18.48829 
1 1 1   -7  -12    1 o  667.516   29.539  5635.69  492.387  5824.78  697.083  5447.39  695.602  673.180   41.672  650.289   43.079 22.89026 59.93650 
1 1 1   -7  -12    2 o  448.923   21.093  2532.91  236.467  2448.94  334.792  2616.51  334.040  438.777   30.749  453.899   29.633 -15.12219 42.70408 
1 1 1   -7  -12    3 o  444.048   20.850  2477.81  231.202  2500.02  327.544  2455.75  326.396  443.612   29.740  439.607   29.910 4.005188 42.17907 
1 1 1   -7  -12    4 o  684.517   29.873  5928.73  510.632  6442.89  723.578  5418.63  720.715  708.331   41.084  647.673   44.837 60.65814 60.81300 
1 1 1   -7  -12    5 o  377.604   26.601  1808.25  249.234  1808.25  249.234   0.0000   0.0000  377.604   26.601  ?   ?  0.000000 26.60139 
1 1 1   -7  -12    6 o  585.329   26.351  4325.15  385.165  4373.19  545.475  4277.38  543.938  584.148   37.594  577.559   37.925 6.588928 53.40005 
1 1 1   -7  -12    7 o  579.681   25.921  4243.06  375.219  4473.51  531.949  4014.86  529.341  591.048   36.216  559.050   38.145 31.99768 52.59846 
1 1 1   -7  -12    8 o  407.473   19.200  2086.93  195.370  2269.98  278.015  1908.34  274.605  422.915   26.458  387.077   28.612 35.83801 38.97007 
1 1 1   -7  -12    9 o  403.734   19.143  2050.09  193.002  2203.63  274.736  1900.48  271.190  416.377   26.561  386.077   28.326 30.30017 38.83151 
1 1 1   -7  -12   10 o  365.210   25.973  1698.87  235.329   0.0000   0.0000  1698.87  235.329  ?   ?   365.210   25.973 0.000000 25.97295 
1 1 1   -7  -12   11 o  587.817   26.291  4391.78  385.920  4682.95  547.671  4104.62  543.896  601.001   36.667  561.138   39.058 39.86328 53.57249 
1 1 1   -7  -12   12 o  198.568   13.313  497.120   65.633  533.413   95.914  465.163   90.004  204.738   18.976  191.046   19.123 13.69218 26.93982 
1 1 1   -7  -12   13 f  209.183   13.530  552.089   70.300  593.567  102.773  515.615   96.374  215.817   19.272  200.992   19.444 14.82419 27.37710 
1 1 1   -7  -12   14 o  322.553   24.672  1338.31  197.216  1338.31  197.216   0.0000   0.0000  322.553   24.672  ?   ?  0.000000 24.67155 
1 1 1   -7  -12   15 o  114.527   13.565  167.438   38.042  164.442   59.244  169.539   49.623  111.651   22.031  114.342   17.972 -2.690948 28.43177 
1 1 1   -7  -12   16 o  126.915   13.136  205.090   41.029  226.284   64.346  190.569   53.260  131.766   20.200  121.207   18.155 10.55834 27.15952 
1 1 1   -7  -12   17 o  228.789   14.198  663.922   80.719  700.531  118.550  632.280  110.213  233.084   20.579  221.504   20.145 11.58008 28.79802 
1 1 1   -7  -12   18 o  135.417   13.518  233.899   45.102  223.146   70.731  241.268   58.550  129.834   22.639  136.588   17.574 -6.754135 28.65921 
1 1 1   -7  -12   19 o  111.033   17.927  161.058   48.013   0.0000   0.0000  161.058   48.013  ?   ?   111.033   17.927 0.000000 17.92699 
1 1 1   -7  -12   20 o  215.191   14.467  589.529   77.290  574.293  115.312  601.958  104.146  209.615   22.375  215.777   19.540 -6.161224 29.70626 
1 1 1   -7  -12   21 o   55.446   17.420   38.957   26.877  -1.4599   55.563   51.302   30.708   53.371   22.990   62.704   18.406 -9.332439 29.45052 
1 1 1   -7  -12   22 f   91.953   16.410  110.867   36.299   64.539   67.433  129.768   43.072   75.527   27.534   99.241   18.045 -23.71419 32.91990 
1 1 1   -7  -12   23 o  212.799   23.513  597.505  122.860  597.505  122.860   0.0000   0.0000  212.799   23.513  ?   ?  0.000000 23.51300 
1 1 1   -7  -12   24 o   25.369   12.004 -23.4315   20.158 -78.6328   65.569 -17.6696   21.184   44.749   21.311   27.762   12.862 16.98770 24.89126 
1 1 1   -7  -12   25 o  379.242   19.236  1863.04  181.580  1983.15  265.896  1758.08  248.565  383.787   27.936  361.435   27.751 22.35239 39.37709 
1 1 1   -7  -12   26 o  215.748   15.311  598.209   81.953  603.156  131.105  595.037  104.993  211.604   25.314  213.083   19.964 -1.478622 32.23895 
1 1 1   -7  -12   27 o   62.698   19.581   51.346   34.015   0.0000   0.0000   51.346   34.015  ?   ?    62.698   19.581 0.000000 19.58113 
1 1 1   -7  -12   28 o   64.521   19.081   55.768   32.894 -24.9564   84.065   70.362   35.744   59.434   26.795   71.912   19.440 -12.47773 33.10414 
1 1 1   -7  -12   29 o  113.025   16.607  170.045   45.474  130.514   95.864  181.523   51.656   94.602   33.008  116.050   18.442 -21.44863 37.81083 
1 1 1   -7  -12   30 o   58.030   18.564   44.821   30.409 -29.1095   90.041   54.339   32.307   59.373   27.145   63.059   18.970 -3.685909 33.11661 
1 1 1   -7  -12   31 o   76.241   31.446   66.799   96.916   66.799   96.916   0.0000   0.0000   76.241   31.446  ?   ?  0.000000 31.44649 
1 1 1   -7  -12   32 o   77.866   18.907   86.593   36.395   49.494  105.309   91.625   38.785   72.731   31.489   79.813   19.602 -7.082092 37.09206 
1 1 1   -7  -12   33 o  117.117   17.909  192.652   50.713   83.834  121.330  215.688   55.824   78.488   33.891  123.440   18.695 -44.95171 38.70526 
1 1 1   -7  -12   34 o  110.713   19.457  177.968   51.829   0.0000   0.0000  177.968   51.829  ?   ?   110.713   19.457 0.000000 19.45659 
1 1 1   -7  -12   35 o   50.646   17.997   34.449   28.596   0.0000   0.0000   34.449   28.596  ?   ?    50.646   17.997 0.000000 17.99747 
1 1 1   -7  -12   36 o   36.462   15.247   7.9465   23.233   0.0000   0.0000   7.9465   23.233  ?   ?    36.462   15.247 0.000000 15.24697 
1 1 1   -7  -11    1 o  736.438   47.129  7028.60  862.161   0.0000   0.0000  7028.60  862.161  ?   ?   736.438   47.129 0.000000 47.12871 
1 1 1   -7  -11    2 o  461.311   21.530  2675.65  248.016  2612.14  351.029  2738.96  350.467  453.049   31.218  464.189   30.402 -11.13962 43.57605 
1 1 1   -7  -11    3 o  365.229   17.992  1673.50  164.092  1671.80  232.534  1675.18  231.591  363.243   25.803  363.639   25.668 -0.3958435 36.39600 
1 1 1   -7  -11    4 o  547.684   24.737  3778.90  338.318  3917.08  479.203  3641.58  477.708  554.165   34.805  533.835   36.046 20.33002 50.10681 
1 1 1   -7  -11    5 o  612.683   27.046  4737.42  413.793  5119.56  586.448  4358.54  583.943  632.864   37.273  582.578   40.388 50.28577 54.95871 
1 1 1   -7  -11    6 o  626.699   40.488  5043.32  630.239  5043.32  630.239   0.0000   0.0000  626.699   40.488  ?   ?  0.000000 40.48779 
1 1 1   -7  -11    7 o  397.763   18.927  1986.40  188.001  2151.82  267.040  1823.83  264.721  412.180   26.079  378.867   28.182 33.31247 38.39675 
1 1 1   -7  -11    8 o  753.250   33.204  7211.15  624.567  7345.29  884.223  7077.58  882.321  752.122   47.320  737.734   48.158 14.38806 67.51530 
1 1 1   -7  -11    9 o  528.531   24.052  3523.01  317.445  3635.58  450.171  3411.67  447.710  533.254   33.983  516.159   34.940 17.09479 48.74085 
1 1 1   -7  -11   10 o  159.359   12.769  320.098   50.388  332.193   74.220  309.758   68.628  161.505   18.752  156.018   17.941 5.486618 25.95218 
1 1 1   -7  -11   11 o  356.982   25.541  1621.54  226.183   0.0000   0.0000  1621.54  226.183  ?   ?   356.982   25.541 0.000000 25.54127 
1 1 1   -7  -11   12 o  365.486   17.410  1680.53  158.898  1930.34  227.395  1442.17  222.129  389.837   23.468  335.868   26.705 53.96906 35.55115 
1 1 1   -7  -11   13 f  735.971   32.878  6975.25  604.248  7166.30  856.103  6785.59  852.976  733.227   47.004  712.221   48.244 21.00629 67.35564 
1 1 1   -7  -11   14 o  311.299   16.310  1224.12  126.349  1300.27  181.250  1152.13  176.223  319.108   22.897  300.042   23.713 19.06534 32.96354 
1 1 1   -7  -11   15 o  150.764   12.741  287.625   47.518  357.088   72.116  234.329   63.169  167.217   17.531  134.691   19.335 32.52582 26.09980 
1 1 1   -7  -11   16 o  234.066   21.278  703.689  123.012  703.689  123.012   0.0000   0.0000  234.066   21.278  ?   ?  0.000000 21.27788 
1 1 1   -7  -11   17 f  121.536   13.667  188.520   40.761  170.974   63.747  200.654   53.014  113.465   23.279  124.606   17.521 -11.14117 29.13592 
1 1 1   -7  -11   18 o  269.565   15.551  923.128  104.241  915.062  151.267  930.423  143.851  265.700   23.026  268.508   21.637 -2.807343 31.59703 
1 1 1   -7  -11   19 o  351.023   18.530  1576.23  161.849  1459.78  231.795  1687.02  226.090  332.604   28.173  359.504   25.347 -26.89996 37.89639 
1 1 1   -7  -11   20 o  227.939   20.107  671.199  113.275   0.0000   0.0000  671.199  113.275  ?   ?   227.939   20.107 0.000000 20.10659 
1 1 1   -7  -11   21 o  120.901   13.815  187.290   40.959  229.317   69.687  165.109   50.627  131.685   21.965  112.201   18.729 19.48409 28.86627 
1 1 1   -7  -11   22 o   81.112   17.022   86.921   33.379   46.716   63.516  102.261   39.233   69.267   26.424   87.825   18.474 -18.55856 32.24195 
1 1 1   -7  -11   23 o   75.664   19.556   76.325   37.219   0.0000   0.0000   76.325   37.219  ?   ?    75.664   19.556 0.000000 19.55619 
1 1 1   -7  -11   24 o  209.940   23.552  581.302  121.345  581.302  121.345   0.0000   0.0000  209.940   23.552  ?   ?  0.000000 23.55222 
1 1 1   -7  -11   25 o  197.511   14.489  498.452   70.963  568.596  115.037  455.362   90.163  207.820   22.527  186.962   19.603 20.85878 29.86250 
1 1 1   -7  -11   26 o  193.133   15.559  479.102   74.404  386.361  119.441  537.911   95.113  167.235   29.688  203.391   18.945 -36.15636 35.21761 
1 1 1   -7  -11   27 o  116.823   16.133  178.004   45.808  151.847   90.612  186.984   53.092  103.955   31.876  119.039   18.458 -15.08363 36.83473 
1 1 1   -7  -11   28 o   78.018   18.980   82.275   36.626   91.849   97.879   80.716   39.495   87.449   32.934   77.127   20.248 10.32150 38.66058 
1 1 1   -7  -11   29 o   96.048   17.623  123.600   40.711  109.244   92.330  127.065   45.358   90.023   32.302   96.777   19.443 -6.754227 37.70216 
1 1 1   -7  -11   30 o   88.073   17.961  105.453   38.165   98.103   94.265  106.894   41.739   86.065   32.338   88.150   19.480 -2.085213 37.75223 
1 1 1   -7  -11   31 o  110.536   16.826  164.531   44.979  187.554  103.459  159.166   49.946  107.948   34.211  107.498   19.316 0.4503937 39.28733 
1 1 1   -7  -11   32 o  112.629   35.693  219.332  112.617  219.332  112.617   0.0000   0.0000  112.629   35.693  ?   ?  0.000000 35.69285 
1 1 1   -7  -11   33 o   57.845   18.230   46.241   29.408 -27.9690  105.673   52.471   30.617   61.771   28.657   61.150   18.484 0.6211777 34.10072 
1 1 1   -7  -11   34 f   59.577   18.448   50.204   30.264 -10.1136  100.125   56.268   31.749   61.609   28.335   62.699   18.793 -1.090050 34.00067 
1 1 1   -7  -11   35 f   50.312   17.853   33.070   28.129   0.0000   0.0000   33.070   28.129  ?   ?    50.312   17.853 0.000000 17.85289 
1 1 1   -7  -11   36 o  114.548   19.073  192.122   52.640   0.0000   0.0000  192.122   52.640  ?   ?   114.548   19.073 0.000000 19.07316 
1 1 1   -7  -11   37 o   48.433   17.879   30.862   28.565   0.0000   0.0000   30.862   28.565  ?   ?    48.433   17.879 0.000000 17.87914 
1 1 1   -7  -10    1 o  833.483   36.640  8867.62  762.607  8911.81  1078.85  8823.50  1078.13  824.575   52.669  820.281   52.915 4.294006 74.65926 
1 1 1   -7  -10    2 o  498.810   32.992  3173.58  408.629   0.0000   0.0000  3173.58  408.629  ?   ?   498.810   32.992 0.000000 32.99159 
1 1 1   -7  -10    3 o  378.582   18.469  1798.87  174.607  1779.57  247.279  1818.06  246.586  374.590   26.608  378.721   26.235 -4.130707 37.36670 
1 1 1   -7  -10    4 o  759.882   33.475  7329.53  635.206  7284.99  898.571  7374.02  898.063  749.604   48.260  754.381   47.921 -4.777344 68.01028 
1 1 1   -7  -10    5 o  159.007   12.169  318.208   47.953  351.204   68.670  286.805   66.992  166.546   16.738  150.106   18.247 16.43951 24.76128 
1 1 1   -7  -10    6 o  1073.95   47.015 14862.02  1260.86 14991.65  1783.73 14732.57  1782.53  1059.33   67.785  1049.49   68.389 9.835083 96.29047 
1 1 1   -7  -10    7 f  670.125   43.073  5780.98  716.977  5780.98  716.977   0.0000   0.0000  670.125   43.073  ?   ?  0.000000 43.07304 
1 1 1   -7  -10    8 o  641.595   28.175  5201.21  451.408  5636.27  639.883  4770.19  636.902  663.334   38.798  608.663   42.163 54.67065 57.29756 
1 1 1   -7  -10    9 o  411.707   19.589  2129.22  201.397  2240.64  285.985  2019.59  283.667  420.275   27.399  398.608   28.690 21.66623 39.67143 
1 1 1   -7  -10   10 o  329.488   16.388  1361.65  134.841  1534.74  192.738  1195.71  188.713  348.448   22.267  306.890   24.838 41.55716 33.35725 
1 1 1   -7  -10   11 o  399.321   19.350  2004.83  192.958  2003.37  274.252  2006.26  271.535  396.778   27.856  397.146   27.550 -0.3681641 39.17812 
1 1 1   -7  -10   12 o  221.115   19.518  620.031  106.663   0.0000   0.0000  620.031  106.663  ?   ?   221.115   19.518 0.000000 19.51755 
1 1 1   -7  -10   13 o  508.415   23.402  3270.57  297.116  3353.05  421.822  3189.36  418.569  510.366   33.280  497.422   33.899 12.94348 47.50461 
1 1 1   -7  -10   14 o  512.387   23.001  3327.30  294.309  3686.44  418.689  2976.52  413.787  535.044   31.475  478.934   34.837 56.11041 46.94977 
1 1 1   -7  -10   15 o  347.920   17.393  1526.59  151.118  1626.90  216.368  1431.07  211.153  356.658   24.441  334.045   25.506 22.61313 35.32557 
1 1 1   -7  -10   16 o  347.591   17.690  1530.75  153.039  1578.01  218.787  1485.48  214.148  350.362   25.174  339.788   25.422 10.57410 35.77761 
1 1 1   -7  -10   17 o  133.176   21.271  231.251   68.360  231.251   68.360   0.0000   0.0000  133.176   21.271  ?   ?  0.000000 21.27133 
1 1 1   -7  -10   18 o  624.066   28.460  5067.80  443.526  5300.96  629.973  4838.63  624.543  624.314   40.629  594.281   42.362 30.03381 58.69623 
1 1 1   -7  -10   19 o  315.575   16.820  1267.24  132.073  1297.37  190.379  1239.28  183.377  316.140   24.301  309.115   23.943 7.025391 34.11455 
1 1 1   -7  -10   20 o  199.503   13.872  505.284   68.682  521.205  102.941  492.511   92.206  200.606   20.854  195.510   19.131 5.095612 28.29991 
1 1 1   -7  -10   21 o  147.924   17.995  282.913   65.105   0.0000   0.0000  282.913   65.105  ?   ?   147.924   17.995 0.000000 17.99549 
1 1 1   -7  -10   22 o  131.869   14.224  222.637   46.100  214.201   76.647  227.419   57.704  126.199   25.203  132.360   17.919 -6.160721 30.92401 
1 1 1   -7  -10   23 o  167.348   14.308  357.366   59.219  351.756   94.843  360.951   75.814  162.927   24.033  167.012   18.488 -4.084351 30.32138 
1 1 1   -7  -10   24 o  353.888   18.286  1607.40  161.047  1679.58  234.662  1543.12  221.425  356.504   26.549  341.939   26.129 14.56448 37.25042 
1 1 1   -7  -10   25 o  229.867   15.146  674.597   86.454  717.310  132.267  642.737  114.234  233.829   22.948  222.185   20.832 11.64377 30.99298 
1 1 1   -7  -10   26 o  124.107   15.569  199.148   47.189  167.945   85.238  212.936   56.664  109.915   30.148  127.597   18.308 -17.68208 35.27191 
1 1 1   -7  -10   27 o  325.462   18.282  1367.24  147.986  1323.19  219.855  1403.73  200.104  313.065   28.432  325.392   24.813 -12.32675 37.73721 
1 1 1   -7  -10   28 o  116.115   15.914  175.683   44.931  251.324   94.379  153.516   51.093  133.976   29.047  107.207   19.815 26.76852 35.16171 
1 1 1   -7  -10   29 o   63.636   19.109   53.551   32.804   39.491   86.581   55.908   35.447   72.891   29.853   65.091   19.934 7.800659 35.89668 
1 1 1   -7  -10   30 o   79.300   18.958   85.679   37.034   53.746   95.348   91.352   40.189   77.273   31.451   81.683   19.889 -4.409897 37.21200 
1 1 1   -7  -10   31 o   69.157   18.243   65.449   31.960   54.200   94.967   66.886   33.940   76.144   31.235   69.819   18.972 6.325302 36.54504 
1 1 1   -7  -10   32 o  157.957   14.637  328.050   57.079  575.818  123.553  260.822   64.359  200.713   25.207  138.252   19.156 62.46129 31.65970 
1 1 1   -7  -10   33 o   73.443   30.984   52.795   97.300   52.795   97.300   0.0000   0.0000   73.443   30.984  ?   ?  0.000000 30.98435 
1 1 1   -7  -10   34 o   66.554   18.436   62.886   31.692   34.725   98.897   66.109   33.457   69.123   30.213   68.062   18.973 1.061127 35.67695 
1 1 1   -7  -10   35 o   80.750   17.901   92.889   35.150  164.172  111.433   85.012   37.041   93.964   35.189   76.471   19.374 17.49309 40.16955 
1 1 1   -7  -10   36 o  115.743   16.961  187.865   47.569  247.177  127.322  178.243   51.283  107.600   38.004  111.066   19.184 -3.466019 42.57108 
1 1 1   -7  -10   37 o   34.533   14.785   3.0252   22.720   0.0000   0.0000   3.0252   22.720  ?   ?    34.533   14.785 0.000000 14.78465 
1 1 1   -7  -10   38 o   53.811   18.719   41.674   30.820   0.0000   0.0000   41.674   30.820  ?   ?    53.811   18.719 0.000000 18.71930 
1 1 1   -7   -9    1 o  458.137   21.396  2643.05  244.785  2647.14  346.339  2638.98  346.019  455.500   30.626  454.790   30.646 0.7105103 43.32618 
1 1 1   -7   -9    2 o  256.632   14.498  827.946   92.530  793.281  131.108  862.348  130.608  250.206   21.183  261.111   20.187 -10.90472 29.26147 
1 1 1   -7   -9    3 o  412.623   28.256  2163.38  289.400   0.0000   0.0000  2163.38  289.400  ?   ?   412.623   28.256 0.000000 28.25640 
1 1 1   -7   -9    4 o  507.716   23.304  3245.81  295.461  3199.05  418.060  3292.48  417.631  500.710   33.630  508.172   33.091 -7.461700 47.18033 
1 1 1   -7   -9    5 o  468.209   21.795  2756.55  254.825  2689.59  360.558  2823.39  360.197  459.673   31.603  471.247   30.777 -11.57388 44.11318 
1 1 1   -7   -9    6 o  701.384   30.962  6227.67  542.303  6397.02  767.645  6058.95  766.221  704.783   43.834  685.264   45.027 19.51929 62.83958 
1 1 1   -7   -9    7 o  1256.09   55.284 20561.65  1734.08 20825.55  2453.17 20298.10  2451.54  1234.25   80.024  1217.02   81.131 17.23413 113.9565 
1 1 1   -7   -9    8 o  185.326   18.632  435.258   85.059  435.258   85.059   0.0000   0.0000  185.326   18.632  ?   ?  0.000000 18.63196 
1 1 1   -7   -9    9 o  837.421   36.656  8929.66  766.542  9178.08  1085.03  8682.13  1083.08  839.346   52.023  815.310   53.494 24.03577 74.61879 
1 1 1   -7   -9   10 o  434.958   20.254  2377.16  219.992  2584.50  312.520  2173.50  309.729  451.440   27.858  413.262   30.222 38.17758 41.10327 
1 1 1   -7   -9   11 o  576.467   26.105  4195.98  375.796  4145.56  532.316  4246.09  530.601  568.405   37.717  575.525   37.117 -7.119934 52.91726 
1 1 1   -7   -9   12 o  685.714   30.398  5969.67  520.529  6154.40  737.472  5786.28  734.813  689.330   43.057  667.606   44.328 21.72443 61.79763 
1 1 1   -7   -9   13 o  628.549   40.935  5123.21  639.019   0.0000   0.0000  5123.21  639.019  ?   ?   628.549   40.935 0.000000 40.93548 
1 1 1   -7   -9   14 o  664.000   29.728  5622.11  492.933  5717.38  698.654  5527.68  695.581  661.249   42.536  649.749   43.115 11.49982 60.56553 
1 1 1   -7   -9   15 o  332.265   16.963  1393.13  140.277  1486.41  200.947  1304.47  195.912  341.559   23.706  319.578   24.742 21.98132 34.26580 
1 1 1   -7   -9   16 o  226.373   14.005  646.390   78.778  694.613  114.993  603.743  108.140  233.527   19.909  217.554   20.134 15.97295 28.31493 
1 1 1   -7   -9   17 o   99.439   13.978  126.780   33.752  168.464   55.199  101.888   42.655  113.639   20.191   87.960   19.886 25.67882 28.33970 
1 1 1   -7   -9   18 o  344.355   25.975  1533.60  221.721  1533.60  221.721   0.0000   0.0000  344.355   25.975  ?   ?  0.000000 25.97523 
1 1 1   -7   -9   19 o  101.807   14.451  133.326   35.707  131.842   58.002  134.232   45.310   99.400   23.701  101.264   18.604 -1.864143 30.13028 
1 1 1   -7   -9   20 o  110.444   14.421  156.630   38.824  131.084   62.540  172.648   49.522   98.811   25.251  115.280   17.774 -16.46839 30.87941 
1 1 1   -7   -9   21 o  176.605   13.417  395.948   58.728  452.098   90.608  355.269   77.121  187.100   19.688  165.844   18.963 21.25668 27.33523 
1 1 1   -7   -9   22 o  200.859   19.195  520.220   95.107   0.0000   0.0000  520.220   95.107  ?   ?   200.859   19.195 0.000000 19.19522 
1 1 1   -7   -9   23 o  170.011   22.966  379.908   95.007  379.908   95.007   0.0000   0.0000  170.011   22.966  ?   ?  0.000000 22.96610 
1 1 1   -7   -9   24 o  267.430   15.467  911.133  102.850  995.151  153.698  843.003  138.405  276.558   22.449  254.623   21.983 21.93430 31.41976 
1 1 1   -7   -9   25 o  109.165   15.543  154.335   41.175  176.596   76.010  145.090   48.984  113.702   27.145  104.780   19.437 8.923012 33.38649 
1 1 1   -7   -9   26 o  118.236   15.638  180.810   45.040  158.952   81.248  190.507   54.116  107.400   29.424  120.610   18.563 -13.20944 34.79036 
1 1 1   -7   -9   27 o  306.659   17.545  1208.20  133.802  1186.60  198.510  1226.18  181.132  298.309   26.939  305.288   23.952 -6.979614 36.04676 
1 1 1   -7   -9   28 o   89.162   17.799  105.496   38.241  168.566   86.912   90.355   42.585  109.750   30.575   81.910   20.785 27.83976 36.97134 
1 1 1   -7   -9   29 o   92.121   16.975  112.287   37.611  170.827   91.548  100.400   41.253  109.705   31.660   86.359   19.581 23.34653 37.22557 
1 1 1   -7   -9   30 o  308.773   17.065  1236.25  131.071  1397.38  203.516  1122.05  171.335  321.111   25.593  288.990   23.958 32.12024 35.05646 
1 1 1   -7   -9   31 o  175.452   18.748  408.139   80.869   0.0000   0.0000  408.139   80.869  ?   ?   175.452   18.748 0.000000 18.74768 
1 1 1   -7   -9   32 o   41.421   16.205   14.590   24.328   69.258   89.404   10.218   25.283   78.189   30.918   40.071   16.237 38.11792 34.92199 
1 1 1   -7   -9   33 o   90.557   17.443  112.148   38.015  112.221   96.274  112.135   41.377   87.785   32.740   89.876   19.029 -2.090523 37.86860 
1 1 1   -7   -9   34 o  137.115   35.429  320.613  122.180  320.613  122.180   0.0000   0.0000  137.115   35.429  ?   ?  0.000000 35.42949 
1 1 1   -7   -9   35 o   75.255   18.272   80.429   33.994  111.079  109.771   77.178   35.751   84.503   33.976   73.331   19.271 11.17153 39.06099 
1 1 1   -7   -9   36 o   51.967   17.863   35.777   28.024  -3.0138  114.299   38.258   28.906   65.616   30.213   53.371   18.146 12.24529 35.24363 
1 1 1   -7   -9   37 o   65.769   18.692   63.139   32.148   79.220  125.275   62.005   33.261   76.332   33.664   65.071   19.171 11.26082 38.74050 
1 1 1   -7   -9   38 o   57.496   18.847   47.954   31.231   0.0000   0.0000   47.954   31.231  ?   ?    57.496   18.847 0.000000 18.84738 
1 1 1   -7   -9   39 o   31.754   14.123  -3.7644   22.507   0.0000   0.0000  -3.7644   22.507  ?   ?    31.754   14.123 0.000000 14.12292 
1 1 1   -7   -8    1 o  188.818   12.602  448.672   59.078  436.146   83.727  461.093   83.372  185.331   18.332  190.711   17.708 -5.380142 25.48793 
1 1 1   -7   -8    2 o  577.341   26.091  4219.25  376.157  4202.41  532.116  4236.07  531.817  570.930   37.532  573.306   37.351 -2.376038 52.95038 
1 1 1   -7   -8    3 o  565.513   25.598  4041.08  361.491  3999.96  511.410  4082.14  511.042  557.938   36.914  563.846   36.491 -5.907898 51.90582 
1 1 1   -7   -8    4 o  786.885   50.520  8092.10  987.466   0.0000   0.0000  8092.10  987.466  ?   ?   786.885   50.520 0.000000 50.51981 
1 1 1   -7   -8    5 o  247.486   14.266  769.741   87.792  707.589  124.307  831.593  124.006  236.273   21.297  256.577   19.500 -20.30447 28.87604 
1 1 1   -7   -8    6 o  323.014   16.670  1311.61  134.007  1241.18  189.710  1381.74  189.320  312.963   24.469  330.564   23.079 -17.60086 33.63610 
1 1 1   -7   -8    7 o  314.257   16.312  1241.08  127.573  1275.98  181.015  1206.65  179.822  317.666   22.974  308.776   23.497 8.890137 32.86214 
1 1 1   -7   -8    8 o  454.689   21.308  2597.95  241.938  2555.98  342.537  2639.73  341.769  448.439   30.774  455.908   30.190 -7.469330 43.11058 
1 1 1   -7   -8    9 o  175.327   18.464  389.878   79.624  389.878   79.624   0.0000   0.0000  175.327   18.464  ?   ?  0.000000 18.46376 
1 1 1   -7   -8   10 o  421.641   20.080  2232.75  211.430  2274.41  299.632  2191.44  298.386  423.386   28.506  415.454   28.942 7.932129 40.62294 
1 1 1   -7   -8   11 o  1251.91   55.153 20472.90  1724.22 21048.35  2439.94 19898.90  2436.90  1238.75   79.292  1201.00   81.740 37.75073 113.8798 
1 1 1   -7   -8   12 o  487.661   22.480  2993.75  273.763  3088.85  388.507  2899.97  385.824  492.376   31.767  476.767   32.602 15.60870 45.51958 
1 1 1   -7   -8   13 f  355.958   17.716  1590.98  157.480  1649.12  224.386  1534.55  221.071  360.547   25.078  347.608   25.649 12.93921 35.87175 
1 1 1   -7   -8   14 o  616.117   40.182  4915.68  614.841   0.0000   0.0000  4915.68  614.841  ?   ?   616.117   40.182 0.000000 40.18211 
1 1 1   -7   -8   15 o  425.798   20.265  2286.08  215.479  2357.88  306.709  2216.10  302.794  429.405   28.769  416.046   29.332 13.35934 41.08586 
1 1 1   -7   -8   16 o  366.759   18.327  1695.39  167.851  1699.49  239.420  1691.41  235.385  364.449   26.488  363.708   26.090 0.7407227 37.17928 
1 1 1   -7   -8   17 o  309.388   16.582  1209.39  127.643  1208.21  183.054  1210.51  178.077  307.259   24.049  307.768   23.344 -0.5088501 33.51600 
1 1 1   -7   -8   18 o  438.546   20.741  2441.64  227.142  2572.85  323.790  2314.49  318.725  445.694   29.255  421.999   30.450 23.69473 42.22561 
1 1 1   -7   -8   19 o  202.274   20.805  526.039  103.590  526.039  103.590   0.0000   0.0000  202.274   20.805  ?   ?  0.000000 20.80476 
1 1 1   -7   -8   20 o   83.126   16.313   90.399   32.653   50.247   54.811  112.489   40.655   68.278   24.834   92.580   18.234 -24.30167 30.80908 
1 1 1   -7   -8   21 o  196.835   14.161  491.731   69.142  459.543  103.080  518.058   93.225  187.961   22.403  200.851   18.806 -12.89023 29.24956 
1 1 1   -7   -8   22 o  349.200   17.695  1555.42  153.803  1690.73  222.486  1431.57  212.854  360.469   24.868  330.964   25.963 29.50534 35.95131 
1 1 1   -7   -8   23 o  293.897   16.126  1099.73  117.901  1181.10  173.086  1029.30  161.039  301.582   23.160  281.446   23.117 20.13510 32.72297 
1 1 1   -7   -8   24 o  292.486   16.264  1090.44  118.322  1178.17  176.879  1019.39  159.182  300.660   23.752  279.934   22.974 20.72659 33.04477 
1 1 1   -7   -8   25 o   62.096   18.223   50.179   30.105   72.466   65.461   44.201   33.902   77.823   27.270   59.789   19.639 18.03350 33.60534 
1 1 1   -7   -8   26 o  177.854   14.670  403.802   64.572  399.634  104.947  406.340   81.913  173.453   24.947  177.192   18.799 -3.738815 31.23728 
1 1 1   -7   -8   27 o   86.525   17.176   98.791   35.803  128.048   78.050   90.995   40.292   97.276   29.536   82.521   19.805 14.75489 35.56109 
1 1 1   -7   -8   28 o  172.191   26.332  398.861  109.626  398.861  109.626   0.0000   0.0000  172.191   26.332  ?   ?  0.000000 26.33165 
1 1 1   -7   -8   29 o  297.722   16.593  1138.02  122.875  1251.41  186.995  1051.85  163.007  307.339   24.570  282.444   23.320 24.89575 33.87491 
1 1 1   -7   -8   30 o  120.075   15.569  187.437   45.586  228.943   93.951  174.656   52.134  127.229   30.050  114.811   18.837 12.41792 35.46624 
1 1 1   -7   -8   31 o  187.925   14.587  455.234   67.920  569.011  120.109  401.748   82.351  205.157   23.892  174.463   19.221 30.69389 30.66392 
1 1 1   -7   -8   32 o  154.598   18.376  317.362   69.552   0.0000   0.0000  317.362   69.552  ?   ?   154.598   18.376 0.000000 18.37570 
1 1 1   -7   -8   33 o   33.313   14.381  -1.0660   21.836   45.720   90.680  -3.9458   22.498   73.138   30.313   32.785   14.368 40.35242 33.54610 
1 1 1   -7   -8   34 o  149.643   15.793  297.756   58.125  326.776  119.741  288.809   66.484  142.277   34.138  145.618   18.716 -3.340515 38.93235 
1 1 1   -7   -8   35 o   57.795   18.901   45.120   31.417   85.055  104.413   41.145   32.943   80.468   32.850   56.139   19.363 24.32896 38.13240 
1 1 1   -7   -8   36 o   53.641   18.134   38.228   28.866 -89.2077  103.792   48.912   30.052   54.632   26.230   59.251   18.389 -4.619522 32.03376 
1 1 1   -7   -8   37 o   62.177   18.194   55.117   30.047  259.885  123.035   42.131   30.985  114.898   37.396   55.580   18.787 59.31837 41.85033 
1 1 1   -7   -8   38 o   89.275   18.144  114.818   39.070  190.170  133.602  107.771   40.856   94.274   37.631   85.529   19.555 8.745285 42.40867 
1 1 1   -7   -8   39 o   19.651   9.6494 -31.2862   16.329   0.0000   0.0000 -31.2862   16.329  ?   ?    19.651   9.6494 0.000000 9.649435 
1 1 1   -7   -7    1 o  212.440   13.170  568.131   69.524  560.376   98.476  575.838   98.168  210.058   18.978  213.022   18.642 -2.963837 26.60250 
1 1 1   -7   -7    2 o  279.103   15.135  980.694  105.093  990.127  148.830  971.313  148.419  279.289   21.505  276.575   21.663 2.714508 30.52429 
1 1 1   -7   -7    3 o  528.895   24.182  3536.34  319.388  3496.14  451.819  3576.50  451.546  521.333   34.907  527.507   34.468 -6.173828 49.05671 
1 1 1   -7   -7    4 o  638.092   28.458  5162.39  453.457  5332.23  641.847  4993.14  640.725  642.516   40.206  620.968   41.559 21.54779 57.82438 
1 1 1   -7   -7    5 o  605.509   39.268  4717.16  590.557   0.0000   0.0000  4717.16  590.557  ?   ?   605.509   39.268 0.000000 39.26803 
1 1 1   -7   -7    6 o  655.781   29.187  5441.75  477.971  5484.20  676.300  5399.39  675.607  652.621   41.716  647.393   42.017 5.228149 59.20903 
1 1 1   -7   -7    7 o  474.980   22.055  2837.23  261.599  2769.25  370.095  2905.11  369.821  466.375   31.971  477.957   31.155 -11.58206 44.64080 
1 1 1   -7   -7    8 o  300.496   15.936  1134.67  119.156  1121.31  168.881  1147.91  168.146  297.710   22.892  301.305   22.510 -3.595459 32.10498 
1 1 1   -7   -7    9 o  638.068   28.417  5140.71  452.781  5235.90  640.946  5045.88  639.714  639.152   40.365  627.116   41.076 12.03650 57.58991 
1 1 1   -7   -7   10 o  715.018   45.756  6594.42  812.712  6594.42  812.712   0.0000   0.0000  715.018   45.756  ?   ?  0.000000 45.75649 
1 1 1   -7   -7   11 o  412.287   19.732  2134.19  203.152  2156.80  288.049  2111.81  286.558  412.361   28.141  407.982   28.302 4.379425 39.91135 
1 1 1   -7   -7   12 o  574.303   25.915  4159.69  371.662  4235.60  526.489  4084.30  524.734  575.498   36.828  564.871   37.411 10.62695 52.49687 
1 1 1   -7   -7   13 o  534.755   24.278  3604.53  324.197  3739.00  459.854  3471.65  457.126  541.113   34.208  520.936   35.349 20.17645 49.19067 
1 1 1   -7   -7   14 o  204.500   13.666  526.235   69.389  517.005  100.351  534.692   96.052  201.765   20.188  205.423   18.938 -3.658005 27.68006 
1 1 1   -7   -7   15 o  235.210   20.120  701.516  117.037   0.0000   0.0000  701.516  117.037  ?   ?   235.210   20.120 0.000000 20.11953 
1 1 1   -7   -7   16 o  451.760   21.412  2576.52  241.557  2568.68  343.477  2584.20  339.779  447.420   30.932  448.944   30.488 -1.524750 43.43183 
1 1 1   -7   -7   17 o  444.677   21.076  2500.17  234.040  2553.33  332.885  2448.21  329.113  445.565   30.094  436.123   30.410 9.441956 42.78336 
1 1 1   -7   -7   18 o  208.144   13.809  546.750   71.369  575.694  105.018  521.911   97.286  212.395   20.037  202.262   19.503 10.13274 27.96153 
1 1 1   -7   -7   19 o  493.549   23.076  3105.65  284.411  3170.57  404.546  3042.21  399.928  492.374   33.094  482.045   33.430 10.32944 47.04031 
1 1 1   -7   -7   20 o  203.794   21.135  534.498  105.993  534.498  105.993   0.0000   0.0000  203.794   21.135  ?   ?  0.000000 21.13460 
1 1 1   -7   -7   21 o  131.073   18.030  221.988   57.451   0.0000   0.0000  221.988   57.451  ?   ?   131.073   18.030 0.000000 18.02963 
1 1 1   -7   -7   22 o  105.045   25.016  148.115   64.680  148.115   64.680   0.0000   0.0000  105.045   25.016  ?   ?  0.000000 25.01578 
1 1 1   -7   -7   23 o   74.078   17.640   72.546   32.162   63.729   59.189   76.240   38.312   73.798   25.926   75.862   19.956 -2.064346 32.71715 
1 1 1   -7   -7   24 o   94.474   16.257  116.369   36.971  105.965   67.133  120.898   44.292   89.599   27.431   95.667   19.208 -6.068604 33.48754 
1 1 1   -7   -7   25 o   87.217   18.810  100.778   39.763   0.0000   0.0000  100.778   39.763  ?   ?    87.217   18.810 0.000000 18.80999 
1 1 1   -7   -7   26 o  139.538   14.783  249.421   50.727  214.718   88.693  266.292   61.841  125.254   28.938  143.495   17.629 -18.24143 33.88507 
1 1 1   -7   -7   27 o  133.133   14.226  226.996   46.562  274.868   82.105  204.302   56.531  143.801   23.689  125.074   18.671 18.72717 30.16301 
1 1 1   -7   -7   28 o  196.429   14.512  492.140   70.678  523.361  112.948  472.047   90.611  199.494   23.100  190.827   19.279 8.667633 30.08792 
1 1 1   -7   -7   29 o   84.486   30.017   86.798   79.545   86.798   79.545   0.0000   0.0000   84.486   30.017  ?   ?  0.000000 30.01744 
1 1 1   -7   -7   30 o   92.008   17.606  112.095   38.978   42.089   82.487  132.219   44.227   73.202   29.446   99.896   18.407 -26.69453 34.72556 
1 1 1   -7   -7   31 o  218.541   15.028  613.522   81.515  734.329  137.229  547.654  101.329  234.490   23.763  204.151   20.139 30.33905 31.14899 
1 1 1   -7   -7   32 o  247.867   16.262  796.493  100.098  819.739  161.077  781.869  127.763  243.968   26.886  242.410   21.323 1.558548 34.31478 
1 1 1   -7   -7   33 o   60.150   19.047   47.568   32.074   0.0000   0.0000   47.568   32.074  ?   ?    60.150   19.047 0.000000 19.04674 
1 1 1   -7   -7   34 o  137.295   15.806  249.270   53.201  291.475  114.230  237.579   60.119  136.452   33.718  132.578   18.677 3.874847 38.54535 
1 1 1   -7   -7   35 o  100.242   17.252  136.973   41.628  125.326  104.910  139.150   45.351   90.806   34.116  100.304   18.796 -9.498535 38.95140 
1 1 1   -7   -7   36 o   88.935   18.188  110.508   39.030  148.938  113.599  105.365   41.560   94.266   35.484   86.042   19.759 8.224182 40.61487 
1 1 1   -7   -7   37 o   63.440   18.802   57.001   31.911   76.462  112.045   55.283   33.290   78.073   33.110   62.570   19.343 15.50277 38.34658 
1 1 1   -7   -7   38 o   23.837   11.305 -20.1982   18.079   59.251  126.155 -21.8640   18.267   75.382   33.486   23.597   11.241 51.78480 35.32254 
1 1 1   -7   -7   39 o   65.959   19.627   64.294   34.722 -183.8890  139.611   80.657   35.848   54.560   27.055   73.878   19.241 -19.31809 33.19864 
1 1 1   -7   -7   40 o   42.327   16.804   17.790   26.506   0.0000   0.0000   17.790   26.506  ?   ?    42.327   16.804 0.000000 16.80352 
1 1 1   -7   -6    1 o  414.698   15.896  2162.52  164.615  2318.42  285.679  2085.03  201.415  425.758   27.010  406.399   19.847 19.35944 33.51738 
1 1 1   -7   -6    2 o  229.307   9.9827  658.268   57.163  810.587   99.976  584.286   69.676  253.460   15.876  215.451   13.011 38.00900 20.52650 
1 1 1   -7   -6    3 o  210.895   13.155  559.830   68.936  533.653   97.544  585.949   97.437  204.922   19.289  214.984   18.325 -10.06245 26.60527 
1 1 1   -7   -6    4 o  147.615   11.828  274.646   43.235  265.440   61.405  283.697   60.886  144.305   17.391  149.380   16.603 -5.075089 24.04339 
1 1 1   -7   -6    5 o  125.690   11.714  199.485   36.344  195.579   51.835  203.261   50.973  123.623   17.262  126.187   16.577 -2.563660 23.93277 
1 1 1   -7   -6    6 o  767.294   49.315  7686.93  939.898   0.0000   0.0000  7686.93  939.898  ?   ?   767.294   49.315 0.000000 49.31454 
1 1 1   -7   -6    7 o  758.352   33.435  7306.71  633.166  7333.63  895.720  7279.83  895.144  751.558   47.977  748.690   48.134 2.868347 67.96038 
1 1 1   -7   -6    8 o  363.327   17.959  1656.02  162.945  1630.51  230.707  1681.41  230.172  358.698   25.931  364.375   25.456 -5.677002 36.33752 
1 1 1   -7   -6    9 o  646.258   28.773  5275.20  464.351  5318.55  657.122  5231.96  656.260  643.878   41.083  638.470   41.384 5.408691 58.31326 
1 1 1   -7   -6   10 o  739.008   32.585  6918.55  601.342  6915.67  850.776  6921.43  850.077  731.932   46.792  732.268   46.731 -0.3362427 66.13103 
1 1 1   -7   -6   11 o  345.169   25.007  1508.06  214.084  1508.06  214.084   0.0000   0.0000  345.169   25.007  ?   ?  0.000000 25.00667 
1 1 1   -7   -6   12 o  362.923   17.826  1651.97  161.550  1771.46  229.574  1534.75  227.375  374.255   24.703  347.919   26.367 26.33627 36.13095 
1 1 1   -7   -6   13 o  103.580   13.605  136.623   34.340  129.882   50.302  142.506   46.994   99.831   20.850  105.023   18.600 -5.192131 27.94069 
1 1 1   -7   -6   14 o  352.166   17.579  1556.27  154.595  1621.97  220.088  1492.29  217.200  357.815   24.784  342.986   25.542 14.82898 35.58992 
1 1 1   -7   -6   15 o  286.078   15.755  1029.54  112.117  1015.49  160.245  1043.00  156.922  282.947   22.875  286.931   22.070 -3.983734 31.78585 
1 1 1   -7   -6   16 o  208.034   19.257  549.128   98.907   0.0000   0.0000  549.128   98.907  ?   ?   208.034   19.257 0.000000 19.25729 
1 1 1   -7   -6   17 o  573.220   25.981  4171.07  371.896  4287.57  527.915  4056.29  523.989  575.311   36.941  559.073   37.753 16.23761 52.82019 
1 1 1   -7   -6   18 o  399.999   19.501  2019.88  194.788  2040.21  277.561  2000.15  273.430  398.764   28.052  394.864   27.910 3.899994 39.57113 
1 1 1   -7   -6   19 o  227.290   14.304  652.083   80.774  669.147  117.912  636.995  110.876  228.888   20.858  223.461   20.084 5.427704 28.95580 
1 1 1   -7   -6   20 o  339.256   17.599  1458.86  148.585  1482.47  213.197  1436.56  207.194  339.312   25.344  334.119   25.014 5.193237 35.60958 
1 1 1   -7   -6   21 o  232.673   21.801  696.582  125.192  696.582  125.192   0.0000   0.0000  232.673   21.801  ?   ?  0.000000 21.80085 
1 1 1   -7   -6   22 o  220.968   14.210  618.561   77.997  660.755  115.679  583.388  105.616  226.644   20.666  213.030   20.091 13.61455 28.82248 
1 1 1   -7   -6   23 o  192.421   13.758  469.569   65.671  504.769  100.597  443.427   86.692  197.681   20.685  185.660   18.965 12.02101 28.06289 
1 1 1   -7   -6   24 o  132.613   14.089  224.611   45.941  209.876   76.383  232.961   57.505  125.203   25.301  134.274   17.571 -9.070885 30.80402 
1 1 1   -7   -6   25 o   98.680   14.586  125.766   34.859  184.624   63.963  100.897   41.577  117.908   22.545   87.188   19.575 30.72057 29.85784 
1 1 1   -7   -6   26 o  189.784   18.815  464.363   87.996   0.0000   0.0000  464.363   87.996  ?   ?   189.784   18.815 0.000000 18.81535 
1 1 1   -7   -6   27 o  554.857   25.903  4020.97  358.912  4174.80  513.035  3873.50  502.292  551.355   37.485  530.103   38.200 21.25183 53.51960 
1 1 1   -7   -6   28 o  233.227   15.081  693.062   87.365  736.154  135.380  662.308  114.367  237.270   23.143  226.070   20.481 11.19998 30.90433 
1 1 1   -7   -6   29 o  164.008   14.489  343.801   58.729  378.669  100.291  325.605   72.450  168.784   24.511  158.367   18.679 10.41641 30.81765 
1 1 1   -7   -6   30 o   98.585   30.801  131.938   84.155  131.938   84.155   0.0000   0.0000   98.585   30.801  ?   ?  0.000000 30.80122 
1 1 1   -7   -6   31 o  184.799   14.926  438.057   68.291  484.703  117.239  414.102   84.016  189.962   25.347  178.105   19.193 11.85669 31.79398 
1 1 1   -7   -6   32 o  386.442   20.178  1954.13  194.049  2010.94  287.042  1906.32  263.341  381.230   30.404  373.382   28.457 7.848022 41.64432 
1 1 1   -7   -6   33 o  147.612   15.410  283.511   55.968  314.443  110.333  272.794   64.943  147.378   30.964  143.488   18.560 3.889542 36.09998 
1 1 1   -7   -6   34 o   65.128   19.351   57.320   33.772   0.0000   0.0000   57.320   33.772  ?   ?    65.128   19.351 0.000000 19.35143 
1 1 1   -7   -6   35 f  163.139   15.871  351.630   63.839  346.207  124.212  353.577   74.420  148.118   34.263  161.881   18.757 -13.76237 39.06138 
1 1 1   -7   -6   36 o  126.536   17.066  216.565   52.552  129.771  118.284  237.910   58.659   92.003   35.805  131.993   18.288 -39.98979 40.20494 
1 1 1   -7   -6   37 o  127.655   17.243  222.716   53.559  147.819  128.555  238.447   58.916   93.743   37.072  131.343   18.473 -37.60068 41.41994 
1 1 1   -7   -6   38 o   68.822   19.619   68.125   35.359 -43.8718  121.627   78.465   36.956   63.532   29.885   73.707   19.700 -10.17576 35.79370 
1 1 1   -7   -6   39 o  101.801   17.358  145.506   42.543  343.740  140.380  125.458   44.643  129.190   39.686   92.825   19.860 36.36581 44.37808 
1 1 1   -7   -6   40 o   42.480   16.741   17.779   26.131   0.6131  147.253   18.337   26.553   69.002   32.587   42.899   16.885 26.10304 36.70167 
1 1 1   -7   -6   41 o   51.250   18.417   35.721   30.025   0.0000   0.0000   35.721   30.025  ?   ?    51.250   18.417 0.000000 18.41698 
1 1 1   -7   -5    1 o  201.357   8.4257  507.297   42.367  501.257   59.945  513.326   59.886  199.572   12.085  201.989   11.926 -2.416977 16.97849 
1 1 1   -7   -5    2 o  290.673   12.089  1059.38   87.749  1190.83  152.555  994.388  107.270  306.428   20.047  280.845   15.354 25.58289 25.25096 
1 1 1   -7   -5    3 o  367.096   14.567  1692.32  133.540  1796.63  231.797  1640.49  163.377  375.402   24.867  360.402   18.212 15.00058 30.82311 
1 1 1   -7   -5    4 o  307.580   12.521  1185.86   96.168  933.565  166.182  1312.89  117.919  270.264   24.903  323.408   14.601 -53.14377 28.86808 
1 1 1   -7   -5    5 o  399.577   19.237  2009.83  191.951  2011.47  271.640  2008.20  271.281  397.144   27.561  396.824   27.547 0.3205872 38.96685 
1 1 1   -7   -5    6 o  324.737   23.805  1338.06  191.695   0.0000   0.0000  1338.06  191.695  ?   ?   324.737   23.805 0.000000 23.80479 
1 1 1   -7   -5    7 o  1020.19   66.468 14016.84  1684.10   0.0000   0.0000 14016.84  1684.10  ?   ?   1020.19   66.468 0.000000 66.46839 
1 1 1   -7   -5    8 o  213.117   13.337  570.862   70.619  571.132  100.299  570.596   99.449  212.432   19.112  212.357   18.953 0.7551575E-01 26.91579 
1 1 1   -7   -5    9 o  557.568   25.207  3917.17  350.972  4000.82  496.770  3833.80  495.931  559.868   35.718  547.758   36.465 12.10992 51.04367 
1 1 1   -7   -5   10 o  107.163   12.285  145.560   32.281  141.512   46.068  149.465   45.248  104.717   18.282  107.838   17.395 -3.121292 25.23515 
1 1 1   -7   -5   11 o  563.110   25.454  3993.92  357.930  4030.30  506.662  3957.67  505.718  562.048   36.293  556.850   36.571 5.198425 51.52311 
1 1 1   -7   -5   12 o  901.800   57.572 10649.84  1289.73 10649.84  1289.73   0.0000   0.0000  901.800   57.572  ?   ?  0.000000 57.57180 
1 1 1   -7   -5   13 o  396.084   19.111  1968.91  189.022  2050.01  268.124  1888.78  266.518  402.291   26.844  385.863   27.846 16.42761 38.67836 
1 1 1   -7   -5   14 o  461.972   21.568  2683.27  248.817  2760.09  352.848  2607.29  350.920  465.980   30.491  452.642   31.237 13.33749 43.65142 
1 1 1   -7   -5   15 o  217.566   14.019  595.359   75.762  567.007  109.260  621.615  105.146  211.322   20.982  221.644   19.186 -10.32210 28.43152 
1 1 1   -7   -5   16 o  304.815   16.224  1169.02  123.051  1207.46  175.803  1132.09  172.292  308.639   22.975  298.736   23.279 9.902863 32.70706 
1 1 1   -7   -5   17 o  388.747   27.279  1926.31  263.140   0.0000   0.0000  1926.31  263.140  ?   ?   388.747   27.279 0.000000 27.27895 
1 1 1   -7   -5   18 o  275.645   15.295  957.224  104.869  1032.28  151.907  888.888  144.951  285.078   21.497  264.272   22.169 20.80609 30.88002 
1 1 1   -7   -5   19 o  389.526   19.351  1915.86  188.231  1841.47  268.095  1988.19  264.342  378.410   28.582  393.860   27.040 -15.45023 39.34601 
1 1 1   -7   -5   20 o  322.996   24.172  1336.67  193.556   0.0000   0.0000  1336.67  193.556  ?   ?   322.996   24.172 0.000000 24.17242 
1 1 1   -7   -5   21 o  342.838   17.990  1491.33  153.478  1426.59  219.577  1553.16  214.610  332.131   26.700  347.398   24.904 -15.26691 36.51139 
1 1 1   -7   -5   22 f  412.884   29.753  2228.44  304.714  2228.44  304.714   0.0000   0.0000  412.884   29.753  ?   ?  0.000000 29.75317 
1 1 1   -7   -5   23 o  328.234   16.855  1368.85  137.689  1496.00  199.020  1252.12  190.689  340.438   23.555  310.773   24.777 29.66437 34.18720 
1 1 1   -7   -5   24 o  288.612   15.811  1057.81  113.520  1139.27  165.862  986.016  155.703  297.039   22.528  276.122   22.785 20.91766 32.04152 
1 1 1   -7   -5   25 o  181.501   13.823  418.353   62.179  439.998   96.460  402.964   81.332  184.083   21.382  176.881   18.697 7.201935 28.40353 
1 1 1   -7   -5   26 o  333.923   17.652  1423.18  146.672  1455.88  213.260  1393.82  202.045  333.700   25.792  326.953   24.934 6.747009 35.87418 
1 1 1   -7   -5   27 o  322.962   24.519  1360.09  196.268   0.0000   0.0000  1360.09  196.268  ?   ?   322.962   24.519 0.000000 24.51898 
1 1 1   -7   -5   28 o  254.453   15.579  824.699   98.517  855.709  149.368  800.823  131.066  256.002   23.632  248.607   21.318 7.394562 31.82633 
1 1 1   -7   -5   29 o  251.877   15.578  808.890   97.500  849.988  149.428  778.421  128.663  254.813   23.757  244.904   21.249 9.908661 31.87338 
1 1 1   -7   -5   30 o  233.264   14.855  693.594   86.079  827.711  137.734  607.638  110.265  251.902   22.120  216.178   20.678 35.72456 30.27956 
1 1 1   -7   -5   31 o  107.079   31.246  159.098   88.729  159.098   88.729   0.0000   0.0000  107.079   31.246  ?   ?  0.000000 31.24578 
1 1 1   -7   -5   32 o  432.634   21.301  2440.90  230.130  2588.53  337.301  2312.33  314.771  434.120   31.325  410.696   30.919 23.42337 44.01357 
1 1 1   -7   -5   33 o   58.416   19.056   43.294   31.942   20.385   91.844   46.446   34.069   70.631   29.967   60.376   19.680 10.25441 35.85131 
1 1 1   -7   -5   34 o  164.493   15.894  352.791   64.475  312.720  120.867  368.728   76.226  144.506   34.053  166.928   18.603 -22.42238 38.80245 
1 1 1   -7   -5   35 o  149.091   18.461  297.338   67.264   0.0000   0.0000  297.338   67.264  ?   ?   149.091   18.461 0.000000 18.46146 
1 1 1   -7   -5   36 o  197.335   16.218  515.493   79.213  527.219  145.135  510.518   94.534  184.985   32.610  193.726   19.820 -8.741135 38.16104 
1 1 1   -7   -5   37 o   44.239   17.085   18.995   26.774   17.468  107.452   19.097   27.646   69.981   31.004   44.680   17.332 25.30019 35.51980 
1 1 1   -7   -5   38 o   73.915   18.785   77.494   34.746  143.700  122.778   71.730   36.227   92.625   36.357   70.878   19.738 21.74717 41.36891 
1 1 1   -7   -5   40 o   65.196   19.026   61.637   32.897  101.589  144.342   59.448   33.786   81.937   36.136   64.041   19.430 17.89612 41.02826 
1 1 1   -7   -5   41 o   36.934   15.639   5.5990   24.934   0.0000   0.0000   5.5990   24.934  ?   ?    36.934   15.639 0.000000 15.63888 
1 1 1   -7   -4    1 o  214.756   8.8635  577.220   47.533  581.491   67.246  572.955   67.199  214.928   12.584  213.327   12.671 1.601120 17.85835 
1 1 1   -7   -4    2 o  249.273   9.8895  778.097   61.560  768.608   87.012  787.606   87.106  246.972   14.168  250.041   14.007 -3.069046 19.92265 
1 1 1   -7   -4    3 o  407.258   15.893  2086.00  161.629  2079.32  280.113  2089.33  197.896  402.634   28.034  406.845   19.479 -4.210358 34.13705 
1 1 1   -7   -4    4 o  429.207   16.571  2317.36  177.613  2249.88  307.750  2351.06  217.489  418.537   29.637  431.543   20.182 -13.00635 35.85593 
1 1 1   -7   -4    5 o  322.992   13.457  1308.41  108.543  1254.37  188.103  1335.39  132.901  313.806   24.191  325.548   16.401 -11.74295 29.22614 
1 1 1   -7   -4    6 o  354.388   14.119  1574.89  124.952  1695.78  217.084  1514.99  152.802  365.522   23.915  346.714   17.708 18.80798 29.75685 
1 1 1   -7   -4    7 o  567.949   37.126  4148.22  523.648   0.0000   0.0000  4148.22  523.648  ?   ?   567.949   37.126 0.000000 37.12577 
1 1 1   -7   -4    8 o  461.786   21.494  2682.81  247.867  2759.67  351.033  2606.39  350.042  465.670   30.353  452.261   31.185 13.40906 43.51772 
1 1 1   -7   -4    9 o  698.547   30.915  6180.29  539.282  6273.75  763.027  6087.01  762.294  697.486   44.034  686.654   44.700 10.83160 62.74619 
1 1 1   -7   -4   10 o  276.948   15.150  963.599  104.378  994.068  148.105  933.532  147.126  280.475   21.305  271.663   21.873 8.812561 30.53407 
1 1 1   -7   -4   11 o  272.318   14.939  931.481  101.200  1007.79  143.886  856.780  142.363  282.565   20.532  260.173   22.122 22.39191 30.18179 
1 1 1   -7   -4   12 o  368.647   18.175  1704.32  167.319  1716.95  237.029  1691.78  236.223  368.287   25.939  365.545   26.048 2.741852 36.76046 
1 1 1   -7   -4   13 o  133.903   18.442  229.079   60.032  229.079   60.032   0.0000   0.0000  133.903   18.442  ?   ?  0.000000 18.44246 
1 1 1   -7   -4   14 o  624.555   27.891  4923.86  434.996  5043.79  615.871  4804.48  614.486  627.542   39.502  612.049   40.432 15.49280 56.52588 
1 1 1   -7   -4   15 o  588.771   26.504  4374.22  389.683  4464.24  551.955  4284.76  550.240  590.541   37.624  578.235   38.323 12.30579 53.70559 
1 1 1   -7   -4   16 o  521.396   23.842  3426.66  310.428  3523.83  440.280  3330.59  437.754  525.242   33.746  510.299   34.556 14.94232 48.30021 
1 1 1   -7   -4   17 o  269.176   15.309  911.660  102.478  910.520  147.057  912.735  142.885  267.886   22.182  268.342   21.504 -0.4559937 30.89440 
1 1 1   -7   -4   18 o  376.273   26.662  1804.72  248.902   0.0000   0.0000  1804.72  248.902  ?   ?   376.273   26.662 0.000000 26.66220 
1 1 1   -7   -4   19 o  241.570   14.665  735.451   88.046  767.245  129.717  708.290  119.894  245.504   21.372  235.987   20.550 9.517212 29.64910 
1 1 1   -7   -4   20 o  573.385   38.497  4312.83  548.021  4312.83  548.021   0.0000   0.0000  573.385   38.497  ?   ?  0.000000 38.49701 
1 1 1   -7   -4   21 o  276.142   15.209  963.144  104.472  1062.40  151.458  873.060  144.293  288.564   21.166  261.112   22.345 27.45197 30.77795 
1 1 1   -7   -4   22 o  588.790   26.709  4462.12  392.710  4726.67  558.196  4202.85  552.597  596.259   37.683  560.215   39.759 36.04370 54.77902 
1 1 1   -7   -4   23 o  343.484   26.148  1530.17  222.597  1530.17  222.597   0.0000   0.0000  343.484   26.148  ?   ?  0.000000 26.14783 
1 1 1   -7   -4   24 o  383.623   19.046  1873.11  182.458  1929.74  261.613  1819.48  254.600  384.630   27.417  373.381   27.499 11.24899 38.83166 
1 1 1   -7   -4   25 o  161.964   13.697  333.307   54.877  347.189   86.261  323.869   71.126  163.272   21.694  158.563   18.299 4.708939 28.38091 
1 1 1   -7   -4   26 o  472.269   22.873  2871.89  269.746  2804.91  385.120  2936.40  377.938  457.469   33.954  469.506   32.434 -12.03696 46.95577 
1 1 1   -7   -4   27 o  277.045   16.405  977.629  112.987  915.212  166.095  1031.39  154.149  264.376   25.474  282.392   22.034 -18.01575 33.68076 
1 1 1   -7   -4   28 o  396.685   28.611  2077.66  281.515   0.0000   0.0000  2077.66  281.515  ?   ?   396.685   28.611 0.000000 28.61079 
1 1 1   -7   -4   29 o  181.717   14.794  421.059   66.551  395.231  107.439  437.138   84.773  172.454   25.736  184.058   18.704 -11.60406 31.81462 
1 1 1   -7   -4   30 o  348.608   18.411  1558.47  159.705  1614.98  235.881  1510.63  217.012  349.520   27.240  338.923   25.836 10.59753 37.54344 
1 1 1   -7   -4   31 o   74.742   18.406   74.355   34.126  120.967   80.785   64.230   37.651   95.185   30.237   69.851   20.345 25.33424 36.44504 
1 1 1   -7   -4   32 o  282.758   26.787  1068.49  186.889  1068.49  186.889   0.0000   0.0000  282.758   26.787  ?   ?  0.000000 26.78720 
1 1 1   -7   -4   33 o  195.510   15.618  492.039   75.613  484.685  128.893  495.898   93.366  187.872   28.356  194.695   19.465 -6.822922 34.39407 
1 1 1   -7   -4   34 o  299.412   17.854  1167.00  132.883  1163.01  205.454  1169.86  174.231  289.749   28.776  295.147   23.843 -5.398407 37.37011 
1 1 1   -7   -4   35 o  224.228   16.946  657.910   94.184  556.529  157.014  714.891  117.714  193.833   33.659  231.319   20.594 -37.48607 39.45950 
1 1 1   -7   -4   36 o  143.075   18.670  275.302   65.114   0.0000   0.0000  275.302   65.114  ?   ?   143.075   18.670 0.000000 18.66974 
1 1 1   -7   -4   37 o  200.045   16.405  531.544   81.228  545.506  150.768  525.834   96.418  186.406   33.626  196.206   19.957 -9.800034 39.10241 
1 1 1   -7   -4   38 o  136.085   17.357  251.569   57.641  130.325  129.822  281.340   64.330   91.824   36.939  143.318   18.400 -51.49424 41.26781 
1 1 1   -7   -4   39 f   97.854   17.559  132.768   41.331  283.998  130.531  115.916   43.573  123.417   38.328   90.072   19.902 33.34533 43.18735 
1 1 1   -7   -4   40 o   61.090   29.345 -86.6820  130.253 -86.6820  130.253   0.0000   0.0000   61.090   29.345  ?   ?  0.000000 29.34474 
1 1 1   -7   -4   41 o   71.866   20.022   76.429   37.270   0.0000   0.0000   76.429   37.270  ?   ?    71.866   20.022 0.000000 20.02242 
1 1 1   -7   -4   42 o   65.404   19.271   63.743   33.606  211.126  166.351   57.472   34.313   91.749   39.650   62.255   19.699 29.49439 44.27412 
1 1 1   -7   -3    1 o  509.910   16.479  3273.12  209.835  3229.98  296.671  3316.30  296.832  504.399   23.553  511.202   23.252 -6.802795 33.09720 
1 1 1   -7   -3    2 o  330.934   11.772  1373.14   97.284  1335.14  137.514  1411.22  137.647  325.157   16.995  334.826   16.463 -9.668518 23.66091 
1 1 1   -7   -3    3 o  438.805   14.439  2419.03  158.217  2382.23  223.672  2455.88  223.834  434.067   20.635  440.805   20.334 -6.738159 28.97044 
1 1 1   -7   -3    4 o  831.175   25.413  8785.15  527.468  8716.36  745.863  8853.96  746.042  820.121   36.419  826.805   36.133 -6.684143 51.30286 
1 1 1   -7   -3    5 f  132.539   9.2759  220.906   30.507  234.255   53.215  214.371   37.233  135.586   16.027  130.291   11.564 5.294434 19.76332 
1 1 1   -7   -3    6 o  293.933   12.609  1082.84   92.552  1116.02  160.669  1066.36  113.224  296.504   21.854  290.979   15.639 5.525513 26.87330 
1 1 1   -7   -3    7 o  408.329   15.655  2092.40  159.625  2247.65  277.223  2015.39  195.238  420.420   26.542  400.181   19.537 20.23929 32.95693 
1 1 1   -7   -3    8 o  148.002   17.079  278.516   61.965   0.0000   0.0000  278.516   61.965  ?   ?   148.002   17.079 0.000000 17.07932 
1 1 1   -7   -3    9 o  221.619   19.429  621.551  106.441  621.551  106.441   0.0000   0.0000  221.619   19.429  ?   ?  0.000000 19.42933 
1 1 1   -7   -3   10 o  253.529   14.485  807.595   91.327  787.435  129.435  827.582  128.879  249.472   20.971  255.894   20.336 -6.422302 29.21227 
1 1 1   -7   -3   11 o  1423.40   63.094 26671.46  2242.69 26816.21  3172.09 26526.79  3171.19  1385.30   92.223  1376.92   92.769 8.379272 130.8099 
1 1 1   -7   -3   12 f  765.753   33.661  7431.53  643.673  7516.41  910.717  7346.81  909.866  762.911   48.049  753.942   48.586 8.968689 68.33193 
1 1 1   -7   -3   13 o  549.901   24.902  3806.59  341.949  3910.77  484.151  3702.90  483.028  554.080   35.173  538.806   36.108 15.27405 50.40827 
1 1 1   -7   -3   14 o  554.947   36.266  3929.41  499.810  3929.41  499.810   0.0000   0.0000  554.947   36.266  ?   ?  0.000000 36.26586 
1 1 1   -7   -3   15 o  287.318   15.714  1037.42  112.319  1023.70  159.376  1050.95  158.315  284.420   22.627  288.282   22.161 -3.862152 31.67137 
1 1 1   -7   -3   16 o  980.516   43.011 12347.39  1053.13 12368.17  1489.99 12326.64  1488.72  965.229   62.147  963.551   62.203 1.678040 87.92850 
1 1 1   -7   -3   17 o  245.066   14.181  754.980   86.413  855.431  125.105  663.328  119.500  260.191   19.394  228.648   21.169 31.54283 28.70987 
1 1 1   -7   -3   18 o  417.932   19.869  2198.32  207.363  2324.73  295.192  2075.17  291.356  427.298   27.816  403.232   29.131 24.06534 40.27822 
1 1 1   -7   -3   19 o  244.731   20.603  760.546  124.739   0.0000   0.0000  760.546  124.739  ?   ?   244.731   20.603 0.000000 20.60254 
1 1 1   -7   -3   20 o  280.814   15.353  994.011  107.253  1104.13  155.870  894.988  147.809  294.756   21.320  264.926   22.557 29.83044 31.03815 
1 1 1   -7   -3   21 o  340.427   17.590  1465.65  149.024  1475.61  213.170  1456.13  208.413  339.289   25.343  337.170   24.930 2.119049 35.54904 
1 1 1   -7   -3   22 o  356.886   18.305  1615.17  162.585  1582.85  232.340  1646.18  227.594  350.243   26.767  357.685   25.651 -7.441650 37.07375 
1 1 1   -7   -3   23 o  194.917   13.652  480.626   66.030  511.207   98.352  455.531   89.093  199.614   20.000  188.527   19.192 11.08635 27.71863 
1 1 1   -7   -3   24 o  415.711   29.996  2264.81  309.303  2264.81  309.303   0.0000   0.0000  415.711   29.996  ?   ?  0.000000 29.99643 
1 1 1   -7   -3   25 o  116.971   14.074  175.056   40.285  198.536   66.239  161.273   50.749  122.665   22.452  111.113   18.971 11.55145 29.39353 
1 1 1   -7   -3   26 o  475.244   23.088  2905.63  273.999  2763.97  390.627  3042.83  384.434  454.120   34.709  478.703   32.349 -24.58371 47.44654 
1 1 1   -7   -3   27 o  102.906   15.575  137.013   38.773  135.849   69.397  137.540   46.750  100.408   27.063  102.317   18.997 -1.908539 33.06512 
1 1 1   -7   -3   28 o  567.234   26.538  4192.22  375.910  4273.35  536.302  4113.85  527.054  558.804   38.670  548.135   38.755 10.66888 54.74781 
1 1 1   -7   -3   29 o  336.402   25.282  1478.32  210.832   0.0000   0.0000  1478.32  210.832  ?   ?   336.402   25.282 0.000000 25.28216 
1 1 1   -7   -3   30 o  262.611   16.144  879.457  105.354  867.685  159.171  888.636  140.548  257.095   25.113  261.811   21.693 -4.715668 33.18502 
1 1 1   -7   -3   31 f  130.788   15.951  220.541   51.017  150.842   93.073  250.478   60.997  105.303   32.309  138.938   18.004 -33.63472 36.98688 
1 1 1   -7   -3   32 o  193.240   14.732  476.910   70.554  600.951  122.921  415.968   86.159  213.657   23.423  178.831   19.615 34.82567 30.55137 
1 1 1   -7   -3   33 o  278.163   27.131  1038.49  186.061  1038.49  186.061   0.0000   0.0000  278.163   27.131  ?   ?  0.000000 27.13126 
1 1 1   -7   -3   34 o  144.646   15.770  271.175   56.040  272.179  109.834  270.822   65.159  137.592   32.487  143.542   18.616 -5.950607 37.44258 
1 1 1   -7   -3   35 o  106.446   17.039  150.060   43.766  182.430  104.186  143.124   48.227  111.181   34.195  103.063   19.452 8.117615 39.34079 
1 1 1   -7   -3   36 o  125.623   16.988  209.211   51.924  130.790  113.225  230.096   58.431   96.418   35.595  131.241   18.329 -34.82292 40.03730 
1 1 1   -7   -3   37 o  271.792   23.325  1023.42  156.779   0.0000   0.0000  1023.42  156.779  ?   ?   271.792   23.325 0.000000 23.32541 
1 1 1   -7   -3   38 o   50.924   18.222   31.167   29.364   15.223  113.583   32.309   30.397   71.639   31.801   51.767   18.538 19.87143 36.81000 
1 1 1   -7   -3   39 o   42.201   16.751   14.952   26.335  115.175  120.804   9.9518   26.984   88.103   35.566   40.523   16.639 47.58009 39.26558 
1 1 1   -7   -3   40 o   52.541   18.645   34.946   30.680 -233.9972  129.750   50.873   31.575   51.525   25.638   60.452   18.864 -8.926945 31.82985 
1 1 1   -7   -3   41 o  102.498   40.926  226.549  158.067  226.549  158.067   0.0000   0.0000  102.498   40.926  ?   ?  0.000000 40.92611 
1 1 1   -7   -3   42 o  126.564   17.900  226.826   54.995  248.690  171.639  224.324   58.056  100.182   41.629  124.746   19.257 -24.56362 45.86665 
1 1 1   -7   -2    1 o  264.298   10.128  874.879   66.847  869.282   94.505  880.483   94.568  262.640   14.465  264.346   14.380 -1.705872 20.39660 
1 1 1   -7   -2    2 f  441.500   14.630  2449.48  161.300  2414.85  228.048  2484.16  228.177  436.912   20.902  443.215   20.616 -6.303833 29.35821 
1 1 1   -7   -2    3 o  362.470   12.170  1647.73  110.157  1600.58  155.712  1694.96  155.858  356.408   17.495  366.857   17.013 -10.44864 24.40361 
1 1 1   -7   -2    4 o  760.242   23.528  7333.13  446.673  7387.80  631.728  7278.46  631.654  756.969   33.420  751.166   33.674 5.803711 47.44257 
1 1 1   -7   -2    5 o  296.574   12.725  1103.16   94.240  1125.63  163.417  1091.97  115.353  297.437   22.160  294.302   15.753 3.134583 27.18906 
1 1 1   -7   -2    6 o  508.292   16.092  3247.16  204.255  3218.35  288.834  3275.98  288.885  504.329   22.934  508.884   22.733 -4.554596 32.29187 
1 1 1   -7   -2    7 o  544.385   20.165  3733.97  274.129  3661.93  474.903  3769.96  335.704  532.819   35.902  545.793   24.631 -12.97388 43.53846 
1 1 1   -7   -2    8 o  266.967   11.879  892.326   79.196  926.685  137.633  875.318   96.834  270.569   20.523  263.808   14.758 6.760773 25.27830 
1 1 1   -7   -2    9 o  614.381   39.789  4856.28  607.180   0.0000   0.0000  4856.28  607.180  ?   ?   614.381   39.789 0.000000 39.78947 
1 1 1   -7   -2   10 o  280.743   11.753  986.134   82.398  1105.58  143.788  927.729  100.544  296.087   19.557  271.732   14.874 24.35464 24.57046 
1 1 1   -7   -2   11 o  481.634   22.255  2916.32  267.670  3002.64  378.952  2830.36  378.133  486.102   31.386  471.648   32.300 14.45383 45.03709 
1 1 1   -7   -2   12 o  693.765   30.681  6084.68  531.543  6186.47  752.124  5983.12  751.308  693.922   43.626  682.058   44.352 11.86420 62.21178 
1 1 1   -7   -2   13 o  586.722   26.374  4337.12  386.421  4411.39  546.923  4263.09  546.040  587.927   37.447  577.714   38.063 10.21338 53.39541 
1 1 1   -7   -2   14 o  996.911   43.514 12717.88  1083.27 12834.85  1532.43 12601.04  1531.52  987.175   62.486  977.638   63.069 9.537720 88.78159 
1 1 1   -7   -2   15 o  773.877   49.394  7754.19  949.568  7754.19  949.568   0.0000   0.0000  773.877   49.394  ?   ?  0.000000 49.39412 
1 1 1   -7   -2   16 o  298.601   16.095  1120.68  119.570  1107.44  169.744  1133.73  168.458  295.780   23.166  299.371   22.703 -3.591217 32.43604 
1 1 1   -7   -2   17 o  351.388   17.471  1549.21  153.305  1653.75  218.692  1448.19  214.967  361.424   24.373  337.846   25.672 23.57874 35.39925 
1 1 1   -7   -2   18 o  284.927   22.207  1028.82  156.759   0.0000   0.0000  1028.82  156.759  ?   ?   284.927   22.207 0.000000 22.20705 
1 1 1   -7   -2   19 f  1024.47   68.399 14465.10  1739.79 14465.10  1739.79   0.0000   0.0000  1024.47   68.399  ?   ?  0.000000 68.39913 
1 1 1   -7   -2   20 o  433.249   29.759  2406.62  320.015   0.0000   0.0000  2406.62  320.015  ?   ?   433.249   29.759 0.000000 29.75934 
1 1 1   -7   -2   21 o  221.673   14.137  619.667   77.851  647.817  114.376  595.367  106.267  225.467   20.540  216.206   19.906 9.260513 28.60283 
1 1 1   -7   -2   22 o  558.921   25.599  3990.86  357.288  4111.59  507.401  3872.12  503.190  559.795   36.497  542.557   37.367 17.23755 52.23338 
1 1 1   -7   -2   23 o  371.436   18.513  1746.90  171.720  1802.21  245.789  1694.15  240.011  373.699   26.510  362.173   26.727 11.52646 37.64460 
1 1 1   -7   -2   24 o  184.380   13.676  430.458   62.520  441.413   93.964  421.755   83.749  185.108   20.681  181.388   18.760 3.720688 27.92235 
1 1 1   -7   -2   25 o  376.277   27.965  1847.06  260.889  1847.06  260.889   0.0000   0.0000  376.277   27.965  ?   ?  0.000000 27.96488 
1 1 1   -7   -2   26 o  414.473   20.653  2194.57  213.758  2099.60  305.545  2285.60  299.154  398.844   30.919  417.652   28.860 -18.80856 42.29567 
1 1 1   -7   -2   27 o  192.122   14.157  468.569   67.441  487.047  103.829  455.084   88.700  193.763   21.839  188.044   19.157 5.718933 29.05039 
1 1 1   -7   -2   28 o  463.682   21.863  2760.71  253.153  2947.78  363.443  2584.41  352.819  471.744   31.025  440.551   32.296 31.19287 44.78325 
1 1 1   -7   -2   29 o  414.229   19.866  2194.48  205.491  2400.56  297.668  2006.85  284.029  427.461   28.041  389.737   29.400 37.72379 40.62853 
1 1 1   -7   -2   30 o  219.627   20.097  622.672  109.001   0.0000   0.0000  622.672  109.001  ?   ?   219.627   20.097 0.000000 20.09722 
1 1 1   -7   -2   31 o  244.300   15.361  760.051   93.234  844.080  145.346  701.303  121.531  254.459   23.126  232.592   21.155 21.86661 31.34255 
1 1 1   -7   -2   32 o  199.344   14.910  506.970   73.685  593.359  123.592  459.329   91.780  212.492   23.695  188.141   19.834 24.35114 30.90054 
1 1 1   -7   -2   33 o  242.481   16.374  753.552   98.566  709.848  155.327  783.014  127.532  229.989   27.596  245.182   21.033 -15.19350 34.69796 
1 1 1   -7   -2   34 o  172.996   29.424  413.097  122.560  413.097  122.560   0.0000   0.0000  172.996   29.424  ?   ?  0.000000 29.42381 
1 1 1   -7   -2   35 o  110.282   17.636  160.781   46.931   79.238  101.793  182.793   52.888   85.404   33.221  117.376   18.669 -31.97221 38.10750 
1 1 1   -7   -2   36 o  148.595   15.974  288.442   58.343  306.130  119.525  282.909   66.847  143.099   33.958  145.948   18.777 -2.848892 38.80395 
1 1 1   -7   -2   37 o  351.598   19.031  1642.14  166.473  1843.60  258.008  1498.45  217.899  358.758   29.049  326.144   26.997 32.61395 39.65681 
1 1 1   -7   -2   38 o  166.189   19.093  373.912   77.797   0.0000   0.0000  373.912   77.797  ?   ?   166.189   19.093 0.000000 19.09274 
1 1 1   -7   -2   39 o   76.507   18.983   82.077   36.095  106.210  124.263   79.854   37.722   87.927   35.860   75.223   19.808 12.70422 40.96658 
1 1 1   -7   -2   40 f   88.360   19.631  110.667   42.189   0.0000   0.0000  110.667   42.189  ?   ?    88.360   19.631 0.000000 19.63051 
1 1 1   -7   -2   41 o   46.560   18.018   22.229   29.825   48.959  144.382   21.037   30.482   78.280   35.220   46.333   18.136 31.94760 39.61532 
1 1 1   -7   -2   42 o   59.463   29.084 -138.6448  143.929 -138.6448  143.929   0.0000   0.0000   59.463   29.084  ?   ?  0.000000 29.08434 
1 1 1   -7   -2   43 f   55.112   19.012   42.117   31.760   48.890  168.064   41.867   32.343   75.648   35.438   55.072   19.175 20.57609 40.29313 
1 1 1   -7   -1    1 o  361.199   12.494  1636.61  112.693  1635.41  159.346  1637.81  159.397  360.219   17.714  360.485   17.707 -0.2662964 25.04656 
1 1 1   -7   -1    2 o  216.025   9.1888  584.158   49.569  561.248   70.013  607.185   70.191  211.035   13.354  219.606   12.855 -8.570908 18.53630 
1 1 1   -7   -1    3 o  387.405   13.195  1883.70  127.648  1811.06  180.370  1956.59  180.674  378.308   19.155  393.871   18.369 -15.56351 26.53958 
1 1 1   -7   -1    4 o  737.186   22.915  6890.42  421.842  6879.11  596.550  6901.74  596.601  730.840   32.687  732.077   32.634 -1.237183 46.18921 
1 1 1   -7   -1    5 o  215.521   9.2053  581.357   49.543  579.876   70.050  582.839   70.078  214.584   13.136  215.137   13.107 -0.5538940 18.55623 
1 1 1   -7   -1    6 o  248.760   9.9057  774.653   61.534  766.944   87.011  782.366   87.033  246.783   14.179  249.280   14.038 -2.497375 19.95279 
1 1 1   -7   -1    7 o  276.101   10.567  954.344   72.855  960.682  103.029  948.004  103.036  276.247   14.991  274.397   15.095 1.850037 21.27439 
1 1 1   -7   -1    8 o  733.513   26.381  6814.04  483.227  6612.98  836.794  6914.63  591.893  710.140   47.460  736.375   32.188 -26.23505 57.34600 
1 1 1   -7   -1    9 o  635.260   22.311  5082.88  353.941  5047.29  613.433  5100.63  433.350  626.154   39.433  634.992   27.329 -8.837402 47.97726 
1 1 1   -7   -1   10 o  785.071   50.261  8026.61  980.177   0.0000   0.0000  8026.61  980.177  ?   ?   785.071   50.261 0.000000 50.26099 
1 1 1   -7   -1   11 o  229.201   11.138  657.078   63.747  650.027  111.074  660.541   77.844  226.685   19.821  229.298   13.657 -2.613495 24.07026 
1 1 1   -7   -1   12 o  911.044   32.269 10507.67  734.129 10496.10  1271.95 10513.46  898.980  895.915   57.151  908.124   39.642 -12.20898 69.55354 
1 1 1   -7   -1   13 o  484.665   18.277  2945.67  221.206  2941.82  383.753  2947.58  270.704  481.155   32.123  484.301   22.384 -3.145294 39.15258 
1 1 1   -7   -1   14 o  841.707   36.832  9000.87  774.166  9120.69  1095.32  8881.27  1094.35  838.369   52.585  826.837   53.285 11.53229 74.86284 
1 1 1   -7   -1   15 o  335.247   17.070  1412.31  142.436  1504.24  202.109  1321.60  200.767  345.040   23.598  323.053   25.083 21.98715 34.43915 
1 1 1   -7   -1   16 o  186.563   19.005  441.218   87.304  441.218   87.304   0.0000   0.0000  186.563   19.005  ?   ?  0.000000 19.00492 
1 1 1   -7   -1   17 o  350.482   17.681  1544.82  154.249  1586.64  219.201  1503.80  217.097  353.966   24.959  344.464   25.418 9.502014 35.62304 
1 1 1   -7   -1   18 o  583.310   26.261  4297.77  382.525  4445.80  542.267  4151.15  539.685  588.843   37.067  568.440   38.242 20.40271 53.25775 
1 1 1   -7   -1   19 o  340.358   17.409  1458.77  147.469  1510.28  210.113  1408.75  207.027  344.913   24.555  332.936   25.085 11.97726 35.10281 
1 1 1   -7   -1   20 o  391.804   19.114  1932.85  187.012  1992.09  266.127  1875.06  262.854  395.211   27.130  383.219   27.653 11.99307 38.73915 
1 1 1   -7   -1   21 o  238.236   20.409  721.743  120.243   0.0000   0.0000  721.743  120.243  ?   ?   238.236   20.409 0.000000 20.40875 
1 1 1   -7   -1   22 o  444.872   20.853  2505.63  231.657  2687.04  330.597  2330.63  324.708  456.863   29.129  424.587   30.835 32.27554 42.41867 
1 1 1   -7   -1   23 o  183.728   13.951  426.959   63.529  365.717   93.598  479.273   86.508  168.037   22.902  193.920   18.072 -25.88303 29.17380 
1 1 1   -7   -1   24 o  338.240   17.606  1451.40  148.192  1473.86  212.673  1430.20  206.609  338.013   25.381  333.094   25.022 4.919464 35.64104 
1 1 1   -7   -1   25 o  206.901   14.355  542.311   73.710  501.904  108.945  576.422  100.099  196.905   22.564  212.194   19.095 -15.28880 29.55911 
1 1 1   -7   -1   26 o  310.681   24.945  1251.11  191.896  1251.11  191.896   0.0000   0.0000  310.681   24.945  ?   ?  0.000000 24.94463 
1 1 1   -7   -1   27 o  197.250   13.932  493.314   68.183  546.770  103.548  452.395   90.594  205.995   20.398  187.421   19.649 18.57404 28.32227 
1 1 1   -7   -1   28 o  277.884   15.907  981.147  109.922  1029.59  162.155  939.955  149.520  281.973   23.236  269.683   22.405 12.29007 32.27821 
1 1 1   -7   -1   29 f  280.482   15.966  1000.15  111.368  1075.48  165.451  937.741  150.591  288.098   23.194  269.146   22.616 18.95203 32.39476 
1 1 1   -7   -1   30 o  312.182   16.605  1240.83  128.982  1407.78  191.795  1102.98  174.278  329.491   23.463  291.119   24.192 38.37170 33.70139 
1 1 1   -7   -1   31 f  538.975   37.843  3978.15  506.108   0.0000   0.0000  3978.15  506.108  ?   ?   538.975   37.843 0.000000 37.84295 
1 1 1   -7   -1   32 o  237.123   16.065  717.680   94.565  664.271  146.590  755.748  123.760  223.827   26.757  241.655   20.709 -17.82819 33.83453 
1 1 1   -7   -1   33 o  373.876   19.376  1799.49  180.285  1887.73  266.910  1725.46  244.487  376.408   28.610  360.772   27.341 15.63589 39.57341 
1 1 1   -7   -1   34 o  160.527   15.577  331.396   61.658  358.710  115.505  320.511   72.916  161.367   29.760  156.739   19.019 4.627914 35.31844 
1 1 1   -7   -1   35 o  278.141   27.902  1051.34  191.188  1051.34  191.188   0.0000   0.0000  278.141   27.902  ?   ?  0.000000 27.90222 
1 1 1   -7   -1   36 o  282.581   16.001  1031.79  112.452  1366.57  185.506  837.300  141.392  319.406   23.421  250.075   22.896 69.33067 32.75278 
1 1 1   -7   -1   37 o  143.777   16.514  271.744   58.216  253.184  122.692  277.137   66.135  127.586   36.603  144.170   18.819 -16.58340 41.15696 
1 1 1   -7   -1   38 o  135.690   16.938  244.938   56.143  211.514  125.514  253.299   62.774  114.197   37.801  137.060   18.839 -22.86259 42.23495 
1 1 1   -7   -1   39 o  142.742   18.809  277.058   65.412   0.0000   0.0000  277.058   65.412  ?   ?   142.742   18.809 0.000000 18.80895 
1 1 1   -7   -1   40 o  115.371   17.179  180.973   47.984  380.795  148.905  157.819   50.688  145.754   39.794  106.197   19.843 39.55695 44.46667 
1 1 1   -7   -1   41 f   73.730   19.332   77.362   36.030  124.130  138.387   73.961   37.317   89.881   37.366   71.929   20.033 17.95263 42.39786 
1 1 1   -7   -1   42 o   90.122   19.481  116.514   42.565   26.568  149.613  124.436   44.400   75.791   34.776   93.074   19.716 -17.28286 39.97604 
1 1 1   -7   -1   43 o  108.087   42.918  287.236  172.936  287.236  172.936   0.0000   0.0000  108.087   42.918  ?   ?  0.000000 42.91772 
1 1 1   -7    0    1 o  201.567   8.9490  508.514   45.045  507.816   63.700  509.212   63.706  200.779   12.771  201.059   12.754 -0.2790527 18.04939 
1 1 1   -7    0    2 o  282.342   10.563  998.668   74.477  1014.92  105.333  982.417  105.320  283.776   14.916  279.138   15.166 4.638184 21.27226 
1 1 1   -7    0    3 o  395.648   13.263  1964.79  131.043  1956.88  185.264  1972.72  185.381  393.805   18.839  395.409   18.775 -1.604675 26.59689 
1 1 1   -7    0    4 o  390.762   13.299  1916.47  129.773  1878.06  183.447  1954.95  183.606  385.778   19.042  393.674   18.677 -7.896790 26.67269 
1 1 1   -7    0    5 o  546.927   17.485  3767.40  238.806  3713.75  337.661  3821.09  337.783  540.584   25.013  548.474   24.662 -7.890259 35.12655 
1 1 1   -7    0    6 o  533.105   16.906  3575.83  225.066  3608.63  318.308  3543.04  318.276  533.517   23.892  528.571   24.113 4.945313 33.94478 
1 1 1   -7    0    7 o  337.477   11.969  1427.01  100.866  1416.40  142.602  1437.65  142.691  335.184   17.094  338.145   16.898 -2.961334 24.03640 
1 1 1   -7    0    8 o  308.318   10.944  1189.94   84.264  1164.26  119.088  1215.69  119.245  304.159   15.733  311.253   15.342 -7.093842 21.97479 
1 1 1   -7    0    9 o  376.129   12.834  1771.79  120.546  1786.23  170.463  1757.34  170.492  377.094   18.102  374.013   18.254 3.080811 25.70815 
1 1 1   -7    0   10 o  233.562   19.757  690.181  114.150   0.0000   0.0000  690.181  114.150  ?   ?   233.562   19.757 0.000000 19.75672 
1 1 1   -7    0   11 o  369.856   26.061  1733.14  239.163   0.0000   0.0000  1733.14  239.163  ?   ?   369.856   26.061 0.000000 26.06137 
1 1 1   -7    0   12 o  191.150   9.2132  456.740   43.978  630.654   78.029  375.774   53.240  224.010   14.019  172.858   12.417 51.15144 18.72737 
1 1 1   -7    0   13 o  536.567   19.116  3611.78  256.134  3000.59  442.738  3919.24  314.017  484.647   36.859  558.429   22.518 -73.78241 43.19285 
1 1 1   -7    0   14 o  338.095   13.582  1430.60  114.675  1178.39  198.612  1556.72  140.451  304.754   26.357  352.527   15.954 -47.77271 30.80998 
1 1 1   -7    0   15 o  488.611   18.419  2993.96  224.741  2928.05  389.926  3026.74  275.017  479.883   32.734  490.761   22.441 -10.87784 39.68747 
1 1 1   -7    0   16 o  588.444   21.546  4350.36  316.611  4351.49  548.991  4349.80  387.555  583.606   37.875  587.492   26.417 -3.886658 46.17721 
1 1 1   -7    0   18 o  476.344   32.029  2891.37  378.780  2891.37  378.780   0.0000   0.0000  476.344   32.029  ?   ?  0.000000 32.02927 
1 1 1   -7    0   19 o  577.731   25.989  4218.53  374.941  4438.54  531.634  4000.80  528.870  588.161   36.375  557.515   38.218 30.64648 52.76149 
1 1 1   -7    0   20 o  270.007   15.251  917.646  102.410  954.706  146.766  882.480  142.968  274.336   21.598  263.628   21.915 10.70770 30.76963 
1 1 1   -7    0   21 o  597.684   27.034  4541.77  403.492  4663.49  572.035  4421.23  569.224  599.087   38.440  582.718   39.348 16.36877 55.00819 
1 1 1   -7    0   22 o  206.721   19.384  544.045   98.896   0.0000   0.0000  544.045   98.896  ?   ?   206.721   19.384 0.000000 19.38412 
1 1 1   -7    0   23 o  391.404   19.180  1937.29  187.471  2008.72  267.830  1868.68  262.499  395.133   27.311  380.847   27.793 14.28641 38.96597 
1 1 1   -7    0   24 o  319.788   17.039  1295.33  135.579  1295.95  194.454  1294.74  189.131  317.392   24.729  317.500   24.032 -0.1083069 34.48322 
1 1 1   -7    0   25 o  211.285   14.275  565.038   74.876  560.856  110.600  568.578  101.737  208.719   21.529  210.716   19.557 -1.996887 29.08586 
1 1 1   -7    0   26 o  316.406   17.085  1271.56  134.492  1266.11  193.961  1276.62  186.649  312.715   25.048  314.495   23.946 -1.780060 34.65314 
1 1 1   -7    0   27 o  202.847   22.135  532.666  110.305  532.666  110.305   0.0000   0.0000  202.847   22.135  ?   ?  0.000000 22.13525 
1 1 1   -7    0   28 o  317.488   17.165  1282.50  135.585  1312.05  197.125  1255.97  186.785  317.844   25.038  311.328   24.216 6.515747 34.83309 
1 1 1   -7    0   29 o  266.023   16.035  899.700  106.024  870.691  156.482  924.319  144.156  258.623   24.523  267.672   21.755 -9.049561 32.78161 
1 1 1   -7    0   30 o  317.933   17.383  1288.30  137.487  1307.85  201.544  1271.28  188.030  316.581   25.716  312.839   24.259 3.742432 35.35238 
1 1 1   -7    0   31 o  286.024   15.988  1040.73  113.739  1196.42  172.593  921.211  151.220  303.864   22.914  266.418   22.954 37.44614 32.43343 
1 1 1   -7    0   32 o  313.013   24.222  1277.15  187.860   0.0000   0.0000  1277.15  187.860  ?   ?   313.013   24.222 0.000000 24.22225 
1 1 1   -7    0   33 o  589.477   27.536  4572.08  405.336  4763.65  581.130  4390.58  565.647  584.366   40.065  559.974   40.730 24.39191 57.13266 
1 1 1   -7    0   34 o  342.816   18.991  1513.67  161.940  1476.82  241.572  1543.74  218.238  331.605   29.480  341.903   25.750 -10.29770 39.14249 
1 1 1   -7    0   35 o  390.074   19.878  1974.05  192.990  2127.21  287.146  1847.86  260.635  396.525   29.204  370.229   28.408 26.29620 40.74181 
1 1 1   -7    0   36 o   81.397   32.737   59.707  101.943   59.707  101.943   0.0000   0.0000   81.397   32.737  ?   ?  0.000000 32.73722 
1 1 1   -7    0   37 o  127.297   16.985  213.414   52.644  160.130  111.961  228.539   59.650  104.946   35.711  131.084   18.757 -26.13865 40.33773 
1 1 1   -7    0   38 o  162.426   15.509  345.018   62.142  535.083  131.658  290.539   70.488  193.761   28.024  146.912   19.710 46.84918 34.26163 
1 1 1   -7    0   39 o  133.852   17.431  240.042   56.881  168.534  132.103  256.316   63.023  103.257   38.383  137.625   18.832 -34.36761 42.75412 
1 1 1   -7    0   40 o   71.118   32.423 -12.3223  127.325 -12.3223  127.325   0.0000   0.0000   71.118   32.423  ?   ?  0.000000 32.42289 
1 1 1   -7    0   41 o  167.897   16.777  379.492   69.398  478.849  163.789  357.753   76.615  163.055   40.426  161.032   19.446 2.022934 44.85995 
1 1 1   -7    0   42 f   98.861   18.829  137.411   44.787  184.468  154.440  133.091   46.798   99.344   40.175   96.556   20.064 2.788544 44.90626 
1 1 1   -7    0   43 o   46.251   17.988   21.954   29.840   1.3253  158.271   22.714   30.385   73.706   34.484   46.775   18.163 26.93116 38.97493 
1 1 1   -7    0   44 o   74.980   35.518   19.748  177.433   19.748  177.433   0.0000   0.0000   74.980   35.518  ?   ?  0.000000 35.51814 
1 1 1   -7    1    1 o  491.715   15.980  3041.97  196.223  2995.36  277.439  3088.62  277.565  486.008   22.860  493.630   22.517 -7.621429 32.08722 
1 1 1   -7    1    2 o  491.839   15.995  3043.50  196.458  3062.35  277.846  3024.64  277.822  491.495   22.638  488.413   22.779 3.081940 32.11446 
1 1 1   -7    1    3 o  755.012   23.305  7232.21  439.399  7206.97  621.347  7257.47  621.462  747.554   33.284  750.250   33.171 -2.695923 46.99109 
1 1 1   -7    1    4 f  274.316   10.488  942.575   71.842  976.585  101.647  908.628  101.555  278.416   14.672  268.436   15.212 9.980103 21.13479 
1 1 1   -7    1    5 o  661.047   20.728  5522.48  342.169  5456.76  483.793  5588.25  484.007  653.003   29.668  661.010   29.322 -8.007446 41.71320 
1 1 1   -7    1    6 o  242.617   9.4150  736.710   57.042  723.241   80.612  750.217   80.727  239.711   13.522  244.187   13.289 -4.475998 18.95868 
1 1 1   -7    1    7 o  283.414   10.721  1005.75   75.876  1015.55  107.286  995.945  107.324  283.991   15.183  281.202   15.342 2.788574 21.58466 
1 1 1   -7    1    8 o  504.816   16.335  3200.35  205.926  3204.70  291.228  3195.99  291.218  503.697   23.153  503.004   23.184 0.6925049 32.76576 
1 1 1   -7    1    9 o  480.985   15.289  2901.33  183.641  2852.01  259.598  2950.74  259.816  475.790   21.849  484.025   21.496 -8.235168 30.65036 
1 1 1   -7    1   10 o  544.885   17.356  3725.40  236.158  3699.29  333.911  3751.53  334.046  541.611   24.688  545.457   24.524 -3.846375 34.79874 
1 1 1   -7    1   11 o  216.236   19.150  591.493  102.338   0.0000   0.0000  591.493  102.338  ?   ?   216.236   19.150 0.000000 19.15012 
1 1 1   -7    1   12 o  185.040   10.156  429.401   46.749  449.412   81.724  419.669   56.995  188.517   17.562  182.707   12.568 5.809402 21.59606 
1 1 1   -7    1   13 o  253.770   11.463  805.457   72.639  859.456  126.670  778.998   88.667  260.991   19.578  249.040   14.318 11.95042 24.25499 
1 1 1   -7    1   14 o  499.546   18.671  3129.58  232.911  3212.61  404.061  3088.26  285.028  502.926   32.345  495.670   23.027 7.255615 39.70430 
1 1 1   -7    1   15 o  174.097   10.550  380.367   45.648  332.841   80.116  403.212   55.546  161.598   20.301  179.092   12.498 -17.49338 23.84013 
1 1 1   -7    1   16 o  467.107   17.574  2735.30  204.995  2852.74  356.283  2677.18  250.638  474.235   30.243  461.626   21.742 12.60947 37.24709 
1 1 1   -7    1   17 o  873.694   38.040  9721.66  829.953  9112.18  1172.44 10333.83  1175.03  834.334   56.608  891.187   53.039 -56.85260 77.57320 
1 1 1   -7    1   18 o  731.229   31.967  6778.94  583.716  7180.98  827.319  6380.43  823.692  746.054   44.612  701.700   47.283 44.35382 65.00648 
1 1 1   -7    1   19 o  259.938   15.006  849.670   96.992  856.569  138.397  843.011  135.970  260.031   21.506  257.988   21.296 2.043762 30.26599 
1 1 1   -7    1   20 o  464.828   21.815  2723.22  253.223  2762.94  359.186  2683.98  357.046  464.986   31.113  458.169   31.396 6.816437 44.20103 
1 1 1   -7    1   21 o  198.455   13.383  496.009   65.936  589.403   96.239  413.387   90.518  215.720   18.031  179.950   20.510 35.76973 27.30857 
1 1 1   -7    1   22 o  121.918   13.524  188.777   40.479  221.387   61.439  163.762   53.810  131.125   19.344  112.294   19.918 18.83081 27.76582 
1 1 1   -7    1   23 o  308.785   23.547  1218.43  180.199   0.0000   0.0000  1218.43  180.199  ?   ?   308.785   23.547 0.000000 23.54681 
1 1 1   -7    1   24 o  503.840   23.676  3236.50  297.882  3195.49  423.156  3276.78  419.407  493.886   34.527  500.679   33.742 -6.793121 48.27665 
1 1 1   -7    1   25 o  264.902   15.106  887.535   99.517  976.630  144.668  807.504  137.111  276.282   21.129  250.779   22.121 25.50319 30.59019 
1 1 1   -7    1   26 o  202.587   14.522  520.118   72.978  418.211  106.742  609.561  100.001  178.971   24.529  218.447   18.506 -39.47545 30.72692 
1 1 1   -7    1   27 o  439.668   21.246  2468.60  233.270  2510.42  333.202  2428.41  326.682  437.188   30.715  430.023   30.622 7.165253 43.37182 
1 1 1   -7    1   28 f  433.892   31.352  2483.97  337.411  2483.97  337.411   0.0000   0.0000  433.892   31.352  ?   ?  0.000000 31.35158 
1 1 1   -7    1   29 o  249.985   15.415  793.409   95.758  813.393  142.109  776.789  129.598  250.648   22.959  245.490   21.353 5.157654 31.35426 
1 1 1   -7    1   30 o  208.616   14.573  552.568   75.442  609.620  116.657  511.555   98.909  217.026   21.821  199.163   20.165 17.86304 29.71187 
1 1 1   -7    1   31 o  157.662   14.896  317.148   57.951  327.778   95.765  311.007   72.792  157.325   25.228  155.026   19.215 2.299423 31.71242 
1 1 1   -7    1   32 o  203.576   14.705  527.091   74.252  645.264  121.450  456.554   93.831  222.942   22.106  187.786   20.334 35.15546 30.03622 
1 1 1   -7    1   33 o  290.167   23.185  1095.27  166.596   0.0000   0.0000  1095.27  166.596  ?   ?   290.167   23.185 0.000000 23.18496 
1 1 1   -7    1   34 o  450.786   21.381  2622.96  240.681  2898.77  351.805  2380.29  329.990  465.368   30.441  420.392   31.666 44.97638 43.92482 
1 1 1   -7    1   35 o  100.983   17.847  134.319   43.359  247.977   98.632  107.093   48.273  133.504   30.281   89.120   21.858 44.38391 37.34581 
1 1 1   -7    1   36 o  300.063   17.366  1161.97  129.572  1265.46  202.348  1090.04  168.695  306.590   26.696  286.566   23.789 20.02374 35.75724 
1 1 1   -7    1   37 o  161.236   32.858  376.320  127.809  376.320  127.809   0.0000   0.0000  161.236   32.858  ?   ?  0.000000 32.85794 
1 1 1   -7    1   38 o  242.776   16.559  768.657   99.793  850.059  169.247  725.273  123.557  246.055   28.046  232.434   21.532 13.62035 35.35780 
1 1 1   -7    1   39 o  117.721   19.648  188.683   55.723   0.0000   0.0000  188.683   55.723  ?   ?   117.721   19.648 0.000000 19.64755 
1 1 1   -7    1   40 o   59.449   19.661   46.575   33.959  147.212  122.560   38.206   35.343   97.679   36.839   55.967   19.995 41.71228 41.91543 
1 1 1   -7    1   41 o  141.223   18.030  270.977   62.133  114.557  149.154  303.820   68.346   91.605   38.489  149.152   18.765 -57.54716 42.81982 
1 1 1   -7    1   42 o   89.406   19.508  113.009   42.330  126.268  147.814  111.825   44.180   91.445   38.363   88.485   20.410 2.959854 43.45493 
1 1 1   -7    1   43 o   69.269   20.071   69.053   36.728 -20.1834  147.494   74.952   37.923   71.222   33.312   71.999   20.246 -0.7761917 38.98165 
1 1 1   -7    1   44 o   51.498   18.867   33.146   31.718 -90.0758  166.341   37.795   32.311   66.802   32.352   53.711   19.126 13.09069 37.58285 
1 1 1   -7    2    1 o  189.474   8.6780  449.240   41.060  445.908   58.052  452.575   58.083  188.148   12.426  189.567   12.337 -1.419205 17.51002 
1 1 1   -7    2    2 o  223.821   9.2845  627.073   51.893  639.339   73.401  614.816   73.375  225.342   13.100  220.926   13.363 4.416107 18.71330 
1 1 1   -7    2    3 o  139.853   8.1372  245.507   28.295  247.105   40.020  243.909   40.012  139.936   11.556  139.012   11.633 0.9238129 16.39708 
1 1 1   -7    2    4 o  488.982   15.902  3006.98  194.170  2993.71  274.580  3020.25  274.615  486.122   22.619  488.303   22.521 -2.181061 31.91875 
1 1 1   -7    2    5 o  532.088   17.091  3563.64  227.094  3561.24  321.121  3566.03  321.198  529.747   24.274  530.107   24.264 -0.3597412 34.32175 
1 1 1   -7    2    6 o  176.984   8.5860  391.858   37.947  391.693   53.615  392.023   53.715  176.350   12.251  176.423   12.269 -0.7241821E-01 17.33787 
1 1 1   -7    2    7 o  285.387   10.737  1019.76   76.520  1003.54  108.163  1036.01  108.270  282.281   15.402  286.861   15.168 -4.579681 21.61729 
1 1 1   -7    2    8 o  323.720   10.807  1311.75   87.359  1292.62  123.436  1330.96  123.652  320.935   15.402  325.681   15.204 -4.745880 21.64210 
1 1 1   -7    2    9 o  382.650   13.079  1834.10  124.976  1790.42  176.603  1877.93  176.884  377.426   18.738  386.595   18.322 -9.169647 26.20704 
1 1 1   -7    2   10 o  210.117   9.2464  552.022   48.516  570.348   68.625  533.709   68.600  213.041   12.961  206.010   13.408 7.030869 18.64816 
1 1 1   -7    2   11 o  256.284   13.916  824.856   88.727  677.870  124.456  976.775  126.527  231.184   21.816  278.413   18.301 -47.22960 28.47552 
1 1 1   -7    2   12 o  155.787   11.714  305.306   45.239  251.475   62.767  363.499   65.260  140.421   18.338  169.634   15.580 -29.21312 24.06239 
1 1 1   -7    2   13 o  674.745   24.286  5728.05  409.209  5834.44  709.316  5674.98  500.983  674.559   42.323  670.294   29.930 4.265564 51.83658 
1 1 1   -7    2   14 o  432.318   16.561  2341.69  178.794  2503.10  310.609  2261.71  218.651  444.665   28.117  424.467   20.628 20.19858 34.87248 
1 1 1   -7    2   15 o  692.366   23.830  6028.16  412.012  5142.87  712.354  6473.19  505.061  632.128   45.430  716.443   28.230 -84.31586 53.48698 
1 1 1   -7    2   16 o  461.756   21.632  2678.25  249.434   0.0000   0.0000  2678.25  249.434  ?   ?   461.756   21.632 0.000000 21.63178 
1 1 1   -7    2   17 o  835.178   29.484  8811.20  614.912  7757.76  1063.60  9340.09  753.625  770.576   55.647  857.777   35.183 -87.20050 65.83659 
1 1 1   -7    2   18 o  867.819   38.085  9601.45  825.352  9204.09  1167.44  9998.51  1167.01  838.002   56.112  875.309   53.649 -37.30786 77.63223 
1 1 1   -7    2   19 o  433.998   16.469  2362.12  178.484  2394.55  310.450  2346.10  218.141  434.103   28.802  432.045   20.219 2.057770 35.19019 
1 1 1   -7    2   20 o  868.378   30.812  9582.78  668.164 10051.42  1159.29  9349.67  817.625  872.809   53.447  853.664   38.355 19.14557 65.78465 
1 1 1   -7    2   21 o  393.797   18.955  1951.47  186.401  2136.48  265.531  1771.73  261.731  409.827   26.081  372.412   28.357 37.41476 38.52711 
1 1 1   -7    2   22 o  601.123   22.103  4568.35  331.790  4667.88  576.555  4519.06  405.699  598.890   38.759  595.952   27.261 2.937927 47.38628 
1 1 1   -7    2   23 o  542.922   25.117  3750.43  340.531  3648.51  482.591  3851.50  480.583  528.763   36.777  544.086   35.567 -15.32269 51.16219 
1 1 1   -7    2   24 o  523.757   35.399  3590.90  460.267   0.0000   0.0000  3590.90  460.267  ?   ?   523.757   35.399 0.000000 35.39863 
1 1 1   -7    2   25 o  364.778   18.566  1688.82  168.563  1692.34  240.762  1685.44  236.075  362.001   26.824  361.475   26.334 0.5264893 37.59025 
1 1 1   -7    2   26 o  286.345   16.336  1039.36  116.328  949.969  167.162  1123.29  161.985  270.983   24.984  295.929   22.079 -24.94653 33.34180 
1 1 1   -7    2   27 o  229.330   14.574  666.038   83.029  697.026  122.264  639.516  113.110  232.821   21.264  223.155   20.528 9.665848 29.55584 
1 1 1   -7    2   28 o  364.765   18.659  1695.19  169.393  1735.26  243.546  1657.63  235.758  365.189   26.896  357.027   26.635 8.161926 37.85220 
1 1 1   -7    2   29 o  336.556   26.330  1474.77  219.523  1474.77  219.523   0.0000   0.0000  336.556   26.330  ?   ?  0.000000 26.32987 
1 1 1   -7    2   30 o  226.532   15.056  651.545   84.684  640.498  126.284  660.571  114.154  222.131   23.104  226.556   20.396 -4.424850 30.81882 
1 1 1   -7    2   31 o  365.837   18.942  1709.85  172.455  1738.54  250.094  1683.84  238.124  364.276   27.701  359.038   26.751 5.237488 38.50887 
1 1 1   -7    2   32 o  159.634   15.089  325.294   59.436  314.534   98.007  331.553   74.751  153.572   26.515  160.153   19.066 -6.581650 32.65769 
1 1 1   -7    2   33 o  115.834   16.274  173.512   45.777  270.238   88.243  137.898   53.545  142.174   25.805  101.744   21.735 40.43080 33.73862 
1 1 1   -7    2   34 o  225.443   20.647  658.307  114.947   0.0000   0.0000  658.307  114.947  ?   ?   225.443   20.647 0.000000 20.64714 
1 1 1   -7    2   35 o  241.059   16.315  743.839   97.633  738.290  155.426  747.455  125.478  235.303   26.937  239.656   21.185 -4.352905 34.26918 
1 1 1   -7    2   36 o  210.724   16.048  570.625   83.814  567.170  140.376  572.540  104.481  204.239   28.282  209.358   20.237 -5.118835 34.77699 
1 1 1   -7    2   37 o  155.574   16.389  314.285   62.714  267.190  118.589  332.569   73.891  134.968   34.920  159.074   18.976 -24.10646 39.74255 
1 1 1   -7    2   38 o  233.740   29.644  769.567  169.141  769.567  169.141   0.0000   0.0000  233.740   29.644  ?   ?  0.000000 29.64409 
1 1 1   -7    2   39 o   60.017   20.127   46.091   35.561 -24.0391  109.168   54.415   37.612   67.215   30.398   64.164   20.659 3.051704 36.75309 
1 1 1   -7    2   40 o  246.273   17.870  806.471  109.149  737.593  184.824  843.357  135.253  217.904   35.163  247.987   22.071 -30.08310 41.51618 
1 1 1   -7    2   41 o   81.133   19.687   92.248   39.481  153.300  125.923   85.592   41.578   98.361   37.282   77.793   20.940 20.56804 42.75979 
1 1 1   -7    2   42 o  126.474   17.898  218.259   54.949  184.920  142.189  224.112   59.577  102.919   39.471  127.311   19.349 -24.39197 43.95847 
1 1 1   -7    2   43 o  113.780   18.855  180.539   51.696   85.645  154.156  192.562   54.873   85.272   37.485  117.216   19.427 -31.94375 42.21999 
1 1 1   -7    2   44 o   84.007   20.231  102.683   41.935   47.120  163.580  106.591   43.385   79.377   36.400   85.431   20.581 -6.053482 41.81494 
1 1 1   -7    2   45 o  116.914   19.128  196.239   53.913  127.103  180.077  203.046   56.505   85.747   38.885  118.423   19.807 -32.67674 43.63923 
1 1 1   -7    3    1 o   69.849   8.6823   61.983   14.817   60.149   20.756   63.888   21.159   68.176   12.658   70.339   12.505 -2.163704 17.79288 
1 1 1   -7    3    2 o  360.366   12.539  1628.66  112.835  1620.02  159.548  1637.31  159.597  358.602   17.817  360.527   17.727 -1.924561 25.13333 
1 1 1   -7    3    3 o  169.301   8.4434  358.597   35.697  348.499   50.495  368.685   50.471  166.272   12.247  171.090   11.887 -4.818710 17.06744 
1 1 1   -7    3    4 f  393.875   13.286  1946.47  130.678  1918.39  184.742  1974.58  184.873  390.045   18.967  395.770   18.706 -5.724548 26.63948 
1 1 1   -7    3    5 o  434.316   14.379  2368.21  155.946  2415.88  220.630  2320.62  220.452  437.500   20.195  428.696   20.593 8.804138 28.84239 
1 1 1   -7    3    6 o  238.583   9.7329  712.416   57.987  709.373   81.946  715.468   82.067  237.381   13.884  238.407   13.844 -1.026459 19.60721 
1 1 1   -7    3    7 o  153.422   8.3503  295.244   31.871  291.058   45.032  299.445   45.114  151.960   11.964  154.166   11.808 -2.205704 16.80973 
1 1 1   -7    3    8 o  639.610   19.696  5149.20  314.592  5167.09  444.876  5131.29  444.925  638.151   27.917  635.899   28.019 2.251465 39.55239 
1 1 1   -7    3    9 o  331.783   11.840  1378.00   98.094  1355.98  138.639  1400.08  138.814  328.242   16.972  334.010   16.643 -5.768005 23.77014 
1 1 1   -7    3   10 o  260.615   10.204  849.484   66.407  846.819   93.887  852.153   93.941  259.575   14.543  260.398   14.504 -0.8225098 20.53930 
1 1 1   -7    3   11 o  224.224   9.5899  628.601   53.697  640.653   75.953  616.558   75.924  225.810   13.532  221.480   13.796 4.329514 19.32468 
1 1 1   -7    3   12 o  285.060   14.990  1020.51  106.328  898.304  149.421  1145.87  151.340  266.344   22.682  301.430   20.223 -35.08545 30.38775 
1 1 1   -7    3   13 o  150.892   8.5305  285.461   32.012  297.724   45.283  273.211   45.260  153.820   11.881  147.256   12.424 6.564438 17.19062 
1 1 1   -7    3   14 o  426.669   16.381  2280.71  174.531  2059.85  302.233  2391.21  213.779  402.751   30.272  436.565   19.609 -33.81378 36.06842 
1 1 1   -7    3   15 o  720.145   29.956  6547.99  538.709   0.0000   0.0000  6547.99  538.709  ?   ?   720.145   29.956 0.000000 29.95598 
1 1 1   -7    3   16 o  568.815   37.012  4126.55  522.864  4126.55  522.864   0.0000   0.0000  568.815   37.012  ?   ?  0.000000 37.01157 
1 1 1   -7    3   17 o  363.316   14.306  1652.58  129.792  1823.51  226.335  1568.83  158.430  379.978   23.976  353.256   18.020 26.72198 29.99242 
1 1 1   -7    3   18 o  879.183   31.219  9784.30  685.417  9623.65  1187.54  9864.56  839.332  857.692   55.748  879.809   38.203 -22.11713 67.58191 
1 1 1   -7    3   19 o  362.442   16.903  1647.52  152.984  1953.74  219.152  1356.47  213.657  393.407   22.400  326.798   26.407 66.60855 34.62777 
1 1 1   -7    3   20 o  414.619   16.046  2156.35  166.135  2357.14  290.040  2058.29  202.680  430.850   27.096  404.560   20.062 26.28976 33.71442 
1 1 1   -7    3   21 o  578.463   19.995  4212.84  288.836  4860.55  503.434  3895.02  352.650  616.223   32.834  554.794   25.454 61.42877 41.54502 
1 1 1   -7    3   22 o  551.519   20.578  3837.07  283.408  3779.73  492.521  3865.45  346.526  540.269   36.724  552.172   25.131 -11.90302 44.49969 
1 1 1   -7    3   23 o  311.090   13.730  1214.85  106.663  978.164  186.830  1329.30  129.917  275.653   27.509  325.102   16.003 -49.44894 31.82497 
1 1 1   -7    3   24 f  334.436   14.320  1406.12  119.592  1247.64  209.757  1482.45  145.571  311.150   27.271  342.915   17.000 -31.76492 32.13542 
1 1 1   -7    3   25 o  302.527   23.358  1173.29  175.099   0.0000   0.0000  1173.29  175.099  ?   ?   302.527   23.358 0.000000 23.35848 
1 1 1   -7    3   26 o  318.937   16.919  1289.31  134.266  1348.18  193.334  1234.46  186.606  323.722   24.088  309.602   24.332 14.12027 34.23895 
1 1 1   -7    3   27 o  164.665   13.961  344.035   56.868  346.192   86.325  342.381   75.587  163.380   21.695  163.193   18.898 0.1874695 28.77151 
1 1 1   -7    3   28 o  304.035   16.601  1173.36  125.561  1220.58  181.916  1130.39  173.522  307.471   23.880  295.910   23.681 11.56082 33.63101 
1 1 1   -7    3   29 o  266.817   15.834  903.544  105.028  904.579  153.823  902.640  143.752  264.412   23.543  264.729   21.943 -0.3174133 32.18314 
1 1 1   -7    3   30 o  404.381   29.877  2150.17  299.561  2150.17  299.561   0.0000   0.0000  404.381   29.877  ?   ?  0.000000 29.87652 
1 1 1   -7    3   31 o  367.064   19.006  1720.56  173.617  1735.76  251.036  1706.62  240.375  364.133   27.818  361.641   26.808 2.492432 38.63288 
1 1 1   -7    3   32 o  115.085   16.541  171.262   46.172  151.072   82.729  180.395   55.644  105.736   29.963  117.397   19.677 -11.66105 35.84653 
1 1 1   -7    3   33 o  351.403   18.860  1579.77  164.896  1552.48  241.014  1603.79  226.097  343.216   28.375  350.318   26.031 -7.102539 38.50679 
1 1 1   -7    3   34 o  121.614   16.600  191.288   49.096  218.961   92.797  180.531   57.856  126.405   29.872  117.045   20.544 9.359711 36.25414 
1 1 1   -7    3   35 o  138.060   19.568  249.062   65.576   0.0000   0.0000  249.062   65.576  ?   ?   138.060   19.568 0.000000 19.56845 
1 1 1   -7    3   36 o  191.874   16.292  473.157   77.326  379.321  128.927  525.875   96.637  164.811   32.481  201.163   19.481 -36.35115 37.87541 
1 1 1   -7    3   37 o  185.820   16.119  445.539   74.054  431.790  130.209  452.112   90.033  175.812   30.779  185.740   19.712 -9.927826 36.55047 
1 1 1   -7    3   38 o  210.231   15.792  571.532   82.302  795.233  155.707  484.801   96.953  241.349   26.259  191.205   20.632 50.14369 33.39496 
1 1 1   -7    3   39 o   96.062   35.225  127.211  110.595  127.211  110.595   0.0000   0.0000   96.062   35.225  ?   ?  0.000000 35.22452 
1 1 1   -7    3   40 o  216.260   16.297  614.017   87.365  729.271  157.529  562.821  104.991  224.985   28.692  203.823   20.924 21.16176 35.51120 
1 1 1   -7    3   41 o  172.674   17.228  397.720   73.295  317.053  146.898  424.460   84.575  135.054   40.412  176.916   19.466 -41.86185 44.85534 
1 1 1   -7    3   42 o   59.450   19.883   46.802   34.701  141.517  133.004   39.884   35.946   95.595   37.739   56.620   20.172 38.97466 42.79177 
1 1 1   -7    3   43 o  152.150   18.009  315.917   67.099  212.600  158.190  338.584   74.094  106.472   41.415  156.570   19.363 -50.09882 45.71790 
1 1 1   -7    3   44 o  126.314   18.096  221.077   55.451  319.020  170.775  209.534   58.627  121.174   43.872  121.648   19.994 -0.4740906 48.21285 
1 1 1   -7    3   45 o  224.612   19.237  710.823  106.859  648.520  219.055  730.279  122.412  162.058   49.541  223.557   22.222 -61.49890 54.29640 
1 1 1   -7    4    1 o  137.105   8.1785  235.942   27.874  221.982   39.328  250.032   39.511  132.554   12.012  140.828   11.331 -8.273895 16.51291 
1 1 1   -7    4    2 f  163.086   8.4790  333.605   34.412  328.229   48.593  339.014   48.739  161.375   12.148  164.040   11.981 -2.664764 17.06185 
1 1 1   -7    4    3 o  354.080   12.382  1571.62  109.481  1563.95  154.811  1579.30  154.849  352.504   17.587  354.243   17.505 -1.739014 24.81354 
1 1 1   -7    4    4 o  254.444   10.087  810.467   64.091  815.878   90.651  805.060   90.624  254.560   14.319  252.848   14.412 1.712219 20.31601 
1 1 1   -7    4    5 f  137.401   7.9901  236.894   27.297  229.286   38.536  244.556   38.672  134.798   11.560  139.288   11.213 -4.490021 16.10481 
1 1 1   -7    4    6 o  381.078   12.971  1820.36  123.436  1807.48  174.538  1833.26  174.592  378.966   18.443  381.680   18.318 -2.713165 25.99422 
1 1 1   -7    4    7 o  376.695   12.872  1778.12  121.079  1784.95  171.182  1771.28  171.281  376.745   18.195  375.287   18.277 1.457214 25.78967 
1 1 1   -7    4    8 o  327.952   11.748  1346.54   96.208  1346.99  136.031  1346.09  136.087  327.134   16.707  327.023   16.720 0.1113281 23.63700 
1 1 1   -7    4    9 o  228.690   9.5390  654.045   54.475  651.403   76.943  656.701   77.136  227.637   13.598  228.567   13.575 -0.9299774 19.21414 
1 1 1   -7    4   10 o  525.207   16.873  3459.67  221.295  3443.50  312.902  3475.85  313.014  522.786   23.968  525.256   23.864 -2.470459 33.82246 
1 1 1   -7    4   11 o  459.314   14.714  2642.42  168.763  2574.50  238.538  2710.48  238.797  452.625   21.104  464.496   20.587 -11.87158 29.48250 
1 1 1   -7    4   12 o  331.606   16.455  1378.03  136.264  1230.14  191.787  1528.80  193.640  311.612   24.853  348.027   22.400 -36.41504 33.45790 
1 1 1   -7    4   13 o  425.601   20.130  2273.47  213.939  2246.15  301.988  2300.99  303.126  420.917   28.906  426.104   28.654 -5.187134 40.70133 
1 1 1   -7    4   14 o  270.060   10.556  911.904   71.187  921.872  100.654  901.928  100.693  270.934   14.935  267.960   15.110 2.974091 21.24498 
1 1 1   -7    4   15 o  152.901   7.9038  292.912   30.075  299.107   42.900  286.925   42.175  154.249   11.214  151.054   11.262 3.194580 15.89285 
1 1 1   -7    4   16 o  380.241   15.191  1810.51  144.243  1854.05  250.774  1788.99  176.331  382.779   26.397  377.691   18.696 5.087738 32.34669 
1 1 1   -7    4   17 o  423.322   16.186  2245.18  171.107  2461.81  297.691  2138.29  209.098  441.098   27.158  412.720   20.288 28.37775 33.89934 
1 1 1   -7    4   18 o  234.596   11.369  688.404   66.603  784.921  117.948  643.221   80.700  249.376   19.085  226.194   14.362 23.18279 23.88504 
1 1 1   -7    4   19 o  567.650   20.526  4049.20  290.960  4441.40  505.866  3855.31  355.684  590.126   34.477  552.876   25.762 37.25000 43.03932 
1 1 1   -7    4   20 o  551.570   25.216  3840.50  347.316  3736.19  492.332  3943.83  490.033  539.568   36.758  554.901   35.551 -15.33246 51.13747 
1 1 1   -7    4   21 o  718.200   25.863  6527.04  463.855  6687.42  804.908  6447.29  567.581  715.993   45.251  711.317   31.953 4.676086 55.39531 
1 1 1   -7    4   22 o  365.087   15.086  1673.09  137.539  1470.59  239.813  1772.35  167.897  338.823   28.611  375.353   17.912 -36.52966 33.75534 
1 1 1   -7    4   23 o  334.393   14.218  1403.88  118.725  1348.90  208.324  1430.32  144.485  324.743   25.905  336.663   17.244 -11.91992 31.11928 
1 1 1   -7    4   24 o  378.030   15.350  1797.78  144.906  1788.92  253.845  1802.06  176.487  373.112   27.437  377.794   18.707 -4.681488 33.20758 
1 1 1   -7    4   25 o  513.224   19.541  3335.27  250.439  2937.82  435.316  3531.89  306.183  471.857   37.247  526.596   23.284 -54.73914 43.92559 
1 1 1   -7    4   26 o  149.838   18.806  288.709   68.815   0.0000   0.0000  288.709   68.815  ?   ?   149.838   18.806 0.000000 18.80557 
1 1 1   -7    4   27 o  339.329   14.594  1451.68  123.664  1193.81  217.809  1574.34  150.225  302.125   29.235  352.754   17.054 -50.62909 33.84544 
1 1 1   -7    4   28 o  122.832   11.603  191.269   35.168  111.726   71.492  216.662   40.394   92.481   28.307  130.645   12.535 -38.16397 30.95836 
1 1 1   -7    4   29 o  161.333   11.278  328.656   45.149  287.064   89.503  342.852   52.290  147.386   25.225  164.534   12.828 -17.14769 28.29942 
1 1 1   -7    4   30 o  286.592   13.297  1035.11   95.164  976.958  172.241  1060.66  114.172  274.012   25.463  289.123   15.874 -15.11029 30.00600 
1 1 1   -7    4   31 o   52.001   22.973 -15.6914   58.587 -15.6914   58.587   0.0000   0.0000   52.001   22.973  ?   ?  0.000000 22.97312 
1 1 1   -7    4   32 o  433.332   20.626  2401.04  223.197  2653.60  322.227  2168.10  309.456  449.742   28.843  404.964   30.832 44.77740 42.22042 
1 1 1   -7    4   33 o  550.623   25.683  3934.18  353.142  4118.38  505.624  3758.75  493.437  551.428   36.932  525.705   37.840 25.72321 52.87595 
1 1 1   -7    4   34 o  151.949   15.685  295.721   58.660  322.923  103.090  282.697   71.334  155.104   27.629  147.410   19.886 7.694260 34.04117 
1 1 1   -7    4   35 o  161.418   16.034  334.203   63.778  279.758  109.848  361.889   78.333  142.328   31.717  167.137   19.112 -24.80890 37.03033 
1 1 1   -7    4   36 f   56.559   20.955   33.056   39.310   0.0000   0.0000   33.056   39.310  ?   ?    56.559   20.955 0.000000 20.95520 
1 1 1   -7    4   37 f  128.410   17.259  215.069   53.943  198.632  109.376  220.352   62.009  117.927   34.771  129.146   19.864 -11.21830 40.04522 
1 1 1   -7    4   38 o   85.733   20.368   99.652   42.962   83.913  109.229  102.532   46.728   87.988   34.361   86.719   21.646 1.268852 40.61090 
1 1 1   -7    4   39 o  139.223   17.215  255.016   58.576  179.382  119.042  279.179   67.285  109.879   36.826  144.960   19.049 -35.08129 41.46098 
1 1 1   -7    4   40 o  165.232   34.620  415.850  138.273  415.850  138.273   0.0000   0.0000  165.232   34.620  ?   ?  0.000000 34.61965 
1 1 1   -7    4   41 o  132.188   18.777  236.277   60.239   4.2426  129.852  299.907   67.999   75.192   33.648  149.234   18.654 -74.04163 38.47291 
1 1 1   -7    4   42 o  279.125   18.989  1051.10  131.573  981.548  217.529  1091.23  165.223  247.278   36.309  278.387   24.001 -31.10910 43.52472 
1 1 1   -7    4   43 o   76.825   20.853   84.084   41.031 -26.9224  137.767   94.889   42.982   71.130   32.900   81.521   20.988 -10.39123 39.02472 
1 1 1   -7    4   44 f   56.639   19.769   41.785   34.387   8.2679  148.902   43.673   35.343   75.571   34.681   57.663   20.047 17.90830 40.05836 
1 1 1   -7    4   45 o  204.619   18.507  581.199   93.544  617.653  213.468  572.535  104.068  163.153   48.692  200.098   21.147 -36.94562 53.08553 
1 1 1   -7    5    1 f  431.810   14.287  2338.69  154.057  2270.57  217.762  2406.94  217.976  424.452   20.545  437.124   19.969 -12.67239 28.65040 
1 1 1   -7    5    2 o   88.463   8.3167   98.727   18.157   97.926   25.538   99.546   25.819   87.611   11.987   88.340   12.016 -0.7294769 16.97261 
1 1 1   -7    5    3 o  127.929   8.1843  205.493   26.009  202.058   36.637  208.983   36.929  126.473   11.734  128.653   11.620 -2.179764 16.51407 
1 1 1   -7    5    4 f  368.979   12.753  1706.23  117.508  1707.03  166.177  1705.43  166.187  368.378   18.065  368.204   18.074 0.1743469 25.55388 
1 1 1   -7    5    5 o  472.208   15.255  2798.53  179.884  2796.95  254.372  2800.10  254.418  470.850   21.634  471.117   21.626 -0.2669678 30.58912 
1 1 1   -7    5    6 o  549.327   17.503  3792.16  240.105  3873.05  339.649  3711.36  339.471  553.426   24.577  541.604   25.100 11.82208 35.12841 
1 1 1   -7    5    7 o  469.873   15.129  2769.17  177.520  2754.79  250.986  2783.56  251.116  467.577   21.495  470.033   21.394 -2.455475 30.32763 
1 1 1   -7    5    8 o   97.872   8.0824  120.559   19.577  126.651   27.675  114.457   27.697   99.967   11.284   94.876   11.956 5.091476 16.43950 
1 1 1   -7    5    9 f  210.667   9.2331  554.916   48.573  550.166   68.601  559.692   68.785  209.196   13.199  211.015   13.118 -1.818695 18.60972 
1 1 1   -7    5   10 o  362.752   12.588  1646.99  114.033  1644.28  161.202  1649.70  161.331  362.013   17.832  362.611   17.817 -0.5976868 25.20730 
1 1 1   -7    5   11 o  210.414   9.3190  553.488   48.966  561.895   69.242  545.078   69.255  211.469   13.178  208.245   13.389 3.223495 18.78565 
1 1 1   -7    5   12 o  512.937   23.301  3309.01  298.459  3132.69  421.344  3486.58  422.830  495.891   34.235  523.775   32.488 -27.88403 47.19607 
1 1 1   -7    5   13 o  763.029   33.452  7373.72  637.406  7183.54  900.694  7564.53  902.165  745.847   48.625  766.071   47.392 -20.22400 67.89975 
1 1 1   -7    5   14 o  674.549   29.906  5744.95  503.753   0.0000   0.0000  5744.95  503.753  ?   ?   674.549   29.906 0.000000 29.90566 
1 1 1   -7    5   15 o  184.380   13.023  427.476   59.575  427.476   59.575   0.0000   0.0000  184.380   13.023  ?   ?  0.000000 13.02272 
1 1 1   -7    5   16 o  556.487   17.781  3882.03  247.091  3944.37  349.536  3819.76  349.343  559.852   25.002  550.870   25.395 8.982788 35.63704 
1 1 1   -7    5   17 o  894.286   31.477 10114.73  702.944 10669.36  1219.01  9838.42  860.408  905.799   54.140  878.900   39.203 26.89825 66.84282 
1 1 1   -7    5   18 o  590.870   21.589  4387.29  318.544  4127.38  552.001  4517.05  390.041  567.685   39.179  598.662   26.090 -30.97736 47.07077 
1 1 1   -7    5   19 o  375.535   14.739  1766.62  138.216  1986.31  241.659  1659.82  168.497  396.316   24.539  363.181   18.642 33.13583 30.81653 
1 1 1   -7    5   20 o  378.216   14.287  1792.29  134.934  1927.45  235.379  1726.13  164.681  390.214   24.276  370.817   17.784 19.39685 30.09295 
1 1 1   -7    5   21 o  359.535   18.267  1628.68  163.470  1556.53  233.054  1698.56  229.354  349.609   26.901  365.708   25.269 -16.09845 36.90812 
1 1 1   -7    5   22 o  631.597   23.011  5040.91  362.935  4469.00  628.808  5326.61  444.438  584.458   43.394  647.605   27.482 -63.14740 51.36405 
1 1 1   -7    5   23 o  463.334   17.398  2701.95  201.305  2876.39  351.062  2616.50  245.715  473.543   29.840  454.962   21.627 18.58084 36.85348 
1 1 1   -7    5   24 o  182.405   10.969  418.462   49.729  409.487   91.329  422.244   59.289  178.736   20.854  182.955   13.063 -4.219086 24.60763 
1 1 1   -7    5   25 o  322.688   13.977  1309.22  112.626  1234.57  198.556  1344.63  136.754  309.744   25.908  326.088   16.852 -16.34412 30.90652 
1 1 1   -7    5   26 o  331.631   13.220  1382.92  109.483  1633.47  195.051  1267.66  132.289  357.589   21.949  316.397   16.803 41.19125 27.64280 
1 1 1   -7    5   27 o  240.872   20.962  743.811  124.831   0.0000   0.0000  743.811  124.831  ?   ?   240.872   20.962 0.000000 20.96226 
1 1 1   -7    5   28 o  381.573   15.286  1838.06  145.658  1947.96  257.701  1786.47  176.567  387.614   26.788  374.632   18.935 12.98282 32.80436 
1 1 1   -7    5   29 o  165.558   11.072  345.833   45.510  367.674   90.073  338.345   52.737  168.279   21.958  163.419   13.031 4.859543 25.53363 
1 1 1   -7    5   30 o  358.847   14.611  1625.60  130.926  1735.69  233.949  1575.39  157.983  365.790   25.777  351.817   18.043 13.97238 31.46390 
1 1 1   -7    5   31 o  199.100   11.761  500.301   58.216  451.118  113.296  517.945   67.859  185.480   25.106  202.251   13.514 -16.77112 28.51183 
1 1 1   -7    5   32 o  261.145   15.039  864.872   97.657  1008.88  150.235  759.499  128.511  279.880   21.664  242.706   21.423 37.17380 30.46805 
1 1 1   -7    5   33 o  123.038   11.850  192.265   35.960  250.319   89.671  181.140   39.254  136.518   27.258  119.096   13.434 17.42174 30.38837 
1 1 1   -7    5   34 o  250.594   12.348  791.394   77.269  903.320  152.413  752.674   89.643  263.667   23.391  243.462   14.815 20.20464 27.68805 
1 1 1   -7    5   35 o  164.883   11.035  343.683   45.173  531.958  111.182  306.458   49.438  201.954   22.425  155.301   12.864 46.65323 25.85217 
1 1 1   -7    5   36 f  140.073   10.883  248.595   37.769  556.913  111.931  208.979   40.122  206.435   22.054  127.992   12.722 78.44222 25.46028 
1 1 1   -7    5   37 o  104.262   21.164  145.654   53.220   0.0000   0.0000  145.654   53.220  ?   ?   104.262   21.164 0.000000 21.16355 
1 1 1   -7    5   38 o   62.803   28.400 -35.2886   95.267 -35.2886   95.267   0.0000   0.0000   62.803   28.400  ?   ?  0.000000 28.39987 
1 1 1   -7    5   39 o   57.119   20.243   38.319   36.155 -90.8134  101.663   57.016   38.684   57.518   27.137   65.958   20.921 -8.440483 34.26502 
1 1 1   -7    5   40 o  164.670   16.840  356.189   68.274  347.004  135.572  359.309   79.027  149.821   36.559  163.949   19.697 -14.12747 41.52763 
1 1 1   -7    5   41 o  115.706   37.963  216.572  126.694  216.572  126.694   0.0000   0.0000  115.706   37.963  ?   ?  0.000000 37.96250 
1 1 1   -7    5   42 o  181.319   16.796  436.830   75.188  524.268  155.217  410.022   85.945  181.813   35.461  173.325   20.238 8.488159 40.82937 
1 1 1   -7    5   43 o   76.842   20.742   83.616   40.729   81.628  138.327   83.805   42.618   85.916   36.624   76.773   21.418 9.142212 42.42685 
1 1 1   -7    5   44 o  134.597   18.485  248.919   60.491  218.613  162.712  253.779   65.161  107.408   41.940  134.961   19.934 -27.55241 46.43673 
1 1 1   -7    5   45 o  111.603   19.593  176.088   52.613   98.461  171.714  184.131   55.271   87.272   38.899  113.780   20.192 -26.50831 43.82780 
1 1 1   -7    5   46 o   76.018   20.937   85.558   41.010   92.066  192.751   85.250   41.971   84.874   39.137   75.730   21.300 9.143929 44.55783 
1 1 1   -7    6    1 o  143.613   11.942  259.985   42.441  292.256   59.854  227.353   60.188  151.791   16.033  133.244   18.596 18.54727 24.55314 
1 1 1   -7    6    2 o  293.766   10.958  1080.06   80.389  1067.03  113.633  1093.11  113.742  291.214   15.684  294.787   15.506 -3.572571 22.05449 
1 1 1   -7    6    3 o  109.708   8.1872  151.316   22.268  139.370   31.282  163.587   31.706  104.796   12.181  113.760   11.311 -8.964134 16.62260 
1 1 1   -7    6    4 o  678.186   21.038  5793.46  356.285  5560.63  503.521  6026.93  504.205  661.239   30.494  688.883   29.310 -27.64453 42.29557 
1 1 1   -7    6    5 o  146.306   8.3121  268.490   30.243  278.327   42.849  258.724   42.692  148.654   11.636  143.242   12.047 5.411240 16.74877 
1 1 1   -7    6    6 o  312.951   11.413  1225.86   89.196  1228.39  126.032  1223.32  126.253  312.472   16.207  311.814   16.271 0.6576538 22.96541 
1 1 1   -7    6    7 o  292.586   10.872  1071.12   79.433  1059.98  112.289  1082.29  112.381  290.333   15.544  293.400   15.392 -3.067413 21.87563 
1 1 1   -7    6    8 o  300.118   11.087  1126.93   83.093  1122.58  117.512  1131.28  117.510  298.810   15.805  299.976   15.742 -1.166046 22.30686 
1 1 1   -7    6    9 f  184.806   8.6529  426.933   39.933  388.215   56.224  466.346   56.726  175.631   12.910  192.689   11.846 -17.05734 17.52159 
1 1 1   -7    6   10 o  433.276   14.418  2351.08  156.001  2333.70  220.549  2368.48  220.689  431.006   20.491  434.224   20.352 -3.217926 28.88107 
1 1 1   -7    6   11 o  308.251   12.999  1189.17  100.064  1263.96  172.929  1151.52  122.691  316.356   22.027  302.697   16.291 13.65973 27.39711 
1 1 1   -7    6   12 o  146.142   11.685  268.852   42.287  219.478   58.587  322.547   61.098  131.024   18.414  159.727   15.514 -28.70253 24.07819 
1 1 1   -7    6   13 o  489.541   21.860  3010.48  267.235  3616.06  378.905  2411.11  376.958  534.662   28.482  434.713   35.022 99.94940 45.14141 
1 1 1   -7    6   14 o  531.833   19.390  3548.17  257.518  3448.75  315.100  3748.12  446.870  523.663   24.096  543.224   33.100 -19.56104 40.94180 
1 1 1   -7    6   15 o  173.635   8.8463  377.783   38.230  409.654   54.217  346.264   53.916  180.566   12.094  165.837   13.127 14.72876 17.84853 
1 1 1   -7    6   16 o  869.378   26.638  9521.75  578.316  9639.86  817.960  9403.69  817.766  870.916   37.610  859.992   38.079 10.92413 53.52125 
1 1 1   -7    6   17 o  816.012   25.002  8382.10  509.480  8489.90  720.619  8274.37  720.407  817.959   35.280  807.343   35.733 10.61646 50.21452 
1 1 1   -7    6   18 o  349.906   14.452  1533.13  126.281  1544.78  219.975  1527.40  154.225  349.286   25.394  348.546   17.778 0.7397156 30.99840 
1 1 1   -7    6   19 o  143.199   10.236  257.743   36.361  321.609   67.225  231.333   43.230  159.225   17.179  135.330   12.950 23.89529 21.51361 
1 1 1   -7    6   20 o  368.106   15.040  1698.35  138.253  1683.74  240.870  1705.53  168.833  364.094   26.678  368.541   18.345 -4.446991 32.37683 
1 1 1   -7    6   21 o  649.088   29.204  5347.68  473.359  4989.74  669.986  5704.44  668.878  619.469   43.589  664.293   40.515 -44.82385 59.50996 
1 1 1   -7    6   22 f  219.964   14.228  609.359   77.732  555.504  113.147  657.498  106.973  208.670   22.047  227.788   18.978 -19.11844 29.09072 
1 1 1   -7    6   23 o  213.031   11.584  570.283   61.393  501.679  109.952  601.360   74.003  197.894   22.658  218.515   13.630 -20.62111 26.44143 
1 1 1   -7    6   24 o  331.166   14.325  1377.84  118.467  1056.79  206.815  1534.63  144.527  285.830   29.394  349.136   16.577 -63.30630 33.74600 
1 1 1   -7    6   25 o  201.317   11.610  510.085   58.120  435.426  105.285  542.808   69.703  183.574   23.507  207.408   13.532 -23.83350 27.12364 
1 1 1   -7    6   26 o  220.832   11.702  613.884   64.302  608.747  116.685  616.124   77.059  217.755   21.749  220.842   14.046 -3.087128 25.89060 
1 1 1   -7    6   27 o  208.496   11.355  547.411   58.899  555.844  108.939  543.928   70.015  207.931   21.280  207.451   13.590 0.4796143 25.24965 
1 1 1   -7    6   28 o  220.174   20.331  621.822  110.521   0.0000   0.0000  621.822  110.521  ?   ?   220.174   20.331 0.000000 20.33111 
1 1 1   -7    6   29 o  356.359   14.436  1601.76  128.466  1757.94  228.892  1529.94  155.219  368.864   24.997  346.873   17.981 21.99091 30.79226 
1 1 1   -7    6   30 o  159.410   11.538  321.069   45.621  289.378   90.823  331.763   52.759  147.907   25.511  161.771   13.175 -13.86401 28.71243 
1 1 1   -7    6   31 o  490.293   18.230  3053.74  223.198  3319.51  393.574  2927.75  270.989  501.840   31.567  477.820   22.711 24.02005 38.88762 
1 1 1   -7    6   32 o  234.404   11.845  692.971   69.109  765.495  133.393  666.363   80.798  243.462   22.184  229.350   14.177 14.11137 26.32736 
1 1 1   -7    6   33 o  345.579   17.958  1522.10  154.442  1608.96  228.031  1448.49  209.921  351.389   26.175  333.735   25.379 17.65442 36.45799 
1 1 1   -7    6   34 o  369.177   15.362  1725.61  141.626  1748.66  256.717  1715.53  169.804  364.633   28.418  366.470   18.616 -1.836823 33.97250 
1 1 1   -7    6   35 o  292.795   12.697  1081.44   92.838  1294.20  180.698  1005.13  108.213  315.869   23.068  281.178   15.471 34.69171 27.77563 
1 1 1   -7    6   36 o  187.169   11.699  443.344   54.408  530.962  126.695  423.532   60.246  200.044   25.975  182.561   13.307 17.48239 29.18517 
1 1 1   -7    6   37 o  212.937   14.126  577.845   74.688   0.0000   0.0000  577.845   74.688  ?   ?   212.937   14.126 0.000000 14.12600 
1 1 1   -7    6   38 o  162.516   20.040  347.267   79.608   0.0000   0.0000  347.267   79.608  ?   ?   162.516   20.040 0.000000 20.04048 
1 1 1   -7    6   39 o  283.434   13.553  1024.76   95.930  1038.39  195.514  1020.43  110.092  274.048   29.010  281.407   15.729 -7.358948 33.00037 
1 1 1   -7    6   40 o  135.902   11.995  236.989   40.289  378.546  128.438  221.540   42.431  160.091   33.216  131.008   13.147 29.08282 35.72300 
1 1 1   -7    6   41 o  208.199   12.624  557.464   65.322  589.320  160.149  551.106   71.544  198.110   33.571  206.334   13.967 -8.224335 36.36042 
1 1 1   -7    6   42 o   93.350   17.737  118.515   39.836  168.457  130.542  113.387   41.832  103.406   38.212   90.734   19.068 12.67197 42.70500 
1 1 1   -7    6   43 o   75.025   14.853   75.831   26.843   32.840  139.776   77.477   27.352   79.794   35.356   75.812   14.979 3.982048 38.39841 
1 1 1   -7    6   44 o  170.967   12.474  380.227   52.888  562.887  175.659  362.019   55.461  178.975   40.276  166.249   13.475 12.72565 42.47062 
1 1 1   -7    6   45 o   99.642   13.590  132.148   32.933  120.592  165.696  132.624   33.603   90.861   39.419   99.698   13.873 -8.836967 41.78882 
1 1 1   -7    6   46 o  130.143   12.777  223.991   40.989  334.196  192.574  218.761   41.951  117.238   45.669  128.316   13.285 -11.07755 47.56181 
1 1 1   -7    7    1 o  270.462   10.444  914.971   70.536  911.573   99.670  918.380   99.837  269.306   14.878  270.316   14.847 -1.010132 21.01896 
1 1 1   -7    7    2 o  117.989   11.832  175.968   34.393  149.162   47.926  204.430   49.384  107.489   18.524  126.697   15.963 -19.20801 24.45290 
1 1 1   -7    7    3 o  460.336   21.479  2666.88  246.906  2666.39  348.998  2667.37  349.357  457.434   30.731  457.512   30.757 -0.7705688E-01 43.47855 
1 1 1   -7    7    4 o  516.699   23.608  3365.55  304.612  3268.83  430.401  3462.61  431.172  505.462   34.301  520.635   33.339 -15.17319 47.83393 
1 1 1   -7    7    5 o  223.738   13.537  629.261   75.278  601.558  105.951  657.502  106.974  217.905   19.684  228.003   18.960 -10.09850 27.33006 
1 1 1   -7    7    6 o  534.501   19.683  3590.19  262.722  3452.50  454.574  3659.25  321.935  519.358   35.259  538.791   23.927 -19.43286 42.61112 
1 1 1   -7    7    7 o  327.796   11.790  1344.61   96.508  1309.48  136.415  1379.81  136.551  322.658   16.990  331.707   16.485 -9.048828 23.67338 
1 1 1   -7    7    8 o  324.427   11.668  1316.95   94.527  1295.21  133.678  1338.68  133.684  320.951   16.737  326.344   16.457 -5.393036 23.47264 
1 1 1   -7    7    9 o  756.944   27.062  7231.11  511.534  7277.25  885.870  7208.03  626.545  749.697   47.565  753.675   33.290 -3.978271 58.05760 
1 1 1   -7    7   10 o  202.723   13.077  516.488   65.849  494.178   92.678  539.232   93.576  197.543   19.023  206.526   18.335 -8.982849 26.42026 
1 1 1   -7    7   11 o  370.170   18.060  1718.40  166.946  1640.69  235.456  1796.97  236.743  359.875   26.384  376.919   25.299 -17.04474 36.55369 
1 1 1   -7    7   12 o  739.080   32.165  6911.77  593.641  6399.84  838.241  7426.88  840.836  704.026   47.965  760.355   44.478 -56.32904 65.41328 
1 1 1   -7    7   13 o  417.611   19.687  2188.25  205.310  2040.61  289.498  2337.63  291.213  401.098   29.101  429.826   27.272 -28.72815 39.88313 
1 1 1   -7    7   14 o  581.621   18.253  4241.36  265.111  4097.83  374.479  4385.57  375.369  570.427   26.289  590.270   25.466 -19.84320 36.60094 
1 1 1   -7    7   15 o  748.215   23.130  7036.78  432.161  7152.45  611.249  6921.17  611.087  751.889   32.555  739.472   33.093 12.41772 46.42118 
1 1 1   -7    7   16 o  394.654   13.483  1949.21  132.880  2017.28  188.020  1881.29  187.820  401.050   18.774  386.743   19.511 14.30750 27.07628 
1 1 1   -7    7   17 o  450.903   14.967  2546.08  168.531  2582.80  238.362  2509.36  238.316  453.489   21.048  446.958   21.352 6.531494 29.98223 
1 1 1   -7    7   18 o  335.966   12.256  1412.29  102.824  1440.49  145.513  1384.16  145.318  338.518   17.271  331.773   17.603 6.744995 24.66066 
1 1 1   -7    7   19 o  171.262   9.5746  367.874   40.784  402.421   57.944  333.957   57.413  178.821   13.067  162.673   14.278 16.14830 19.35436 
1 1 1   -7    7   20 o  657.466   23.598  5448.42  387.436  5730.90  672.541  5308.12  473.989  667.064   40.567  647.291   29.324 19.77301 50.05516 
1 1 1   -7    7   21 o  337.467   14.386  1427.67  121.230  1292.40  211.305  1494.05  148.013  318.422   26.824  344.927   17.184 -26.50485 31.85591 
1 1 1   -7    7   22 o  218.695   12.491  601.187   67.935  826.281  101.543  418.804   91.403  256.033   15.961  181.159   20.569 74.87346 26.03579 
1 1 1   -7    7   23 o  411.068   16.147  2124.03  165.748  2237.93  289.454  2068.47  202.177  418.319   27.869  404.934   19.994 13.38416 34.29879 
1 1 1   -7    7   24 o  214.603   11.441  578.903   61.090  610.242  110.586  565.140   73.288  218.787   20.479  211.683   13.942 7.103409 24.77461 
1 1 1   -7    7   25 o  854.799   30.808  9421.29  657.627  9904.49  1141.56  9181.29  804.539  847.573   54.219  836.423   38.519 11.15039 66.50875 
1 1 1   -7    7   26 o  309.448   13.434  1204.03  103.811  1300.31  184.356  1159.33  125.621  318.550   23.338  302.633   16.687 15.91760 28.68996 
1 1 1   -7    7   27 o  357.059   14.620  1606.44  130.357  1714.26  230.457  1555.71  158.076  364.681   25.466  350.069   18.145 14.61115 31.26908 
1 1 1   -7    7   28 o  137.747   11.233  239.836   38.303  178.060   76.148  260.760   44.318  115.310   26.932  143.469   12.495 -28.15921 29.68943 
1 1 1   -7    7   29 o  398.823   28.636  2073.70  283.296   0.0000   0.0000  2073.70  283.296  ?   ?   398.823   28.636 0.000000 28.63589 
1 1 1   -7    7   30 o  375.754   15.557  1784.29  145.979  1736.23  258.437  1806.81  176.903  364.507   28.622  377.083   18.787 -12.57635 34.23696 
1 1 1   -7    7   31 o  214.065   11.299  577.499   60.185  744.393  117.225  517.760   70.134  241.024   19.647  202.149   13.979 38.87494 24.11296 
1 1 1   -7    7   32 f  104.455   12.284  139.169   31.430   81.025   76.603  150.939   34.465   83.307   29.472  108.717   12.950 -25.41034 32.19163 
1 1 1   -7    7   33 o  122.981   12.750  192.524   38.588   73.260   86.686  221.997   43.094   83.325   31.069  132.059   13.246 -48.73457 33.77512 
1 1 1   -7    7   34 o  302.794   18.240  1170.86  137.275  958.621  203.176  1349.12  186.204  268.277   30.892  322.921   23.246 -54.64374 38.66134 
1 1 1   -7    7   35 o  257.817   12.331  837.760   79.391  990.303  158.638  786.788   91.701  276.171   23.218  248.913   14.820 27.25821 27.54466 
1 1 1   -7    7   36 f  161.299   12.468  330.202   49.829  286.373  116.368  340.042   55.139  143.588   33.128  163.445   13.634 -19.85635 35.82399 
1 1 1   -7    7   37 o  163.517   16.986  344.796   68.349  351.019  120.745  341.862   82.911  159.325   31.465  161.468   21.064 -2.142319 37.86452 
1 1 1   -7    7   38 o  334.824   14.682  1427.86  122.756  1397.13  233.574  1439.59  144.290  320.743   29.492  334.495   17.334 -13.75165 34.20889 
1 1 1   -7    7   39 o  169.408   20.148  378.953   83.564   0.0000   0.0000  378.953   83.564  ?   ?   169.408   20.148 0.000000 20.14828 
1 1 1   -7    7   40 f  226.232   12.372  653.851   69.632  776.195  160.252  625.375   77.312  236.494   27.658  220.485   14.116 16.00854 31.05161 
1 1 1   -7    7   41 o  228.348   12.692  669.477   72.087  685.037  167.472  665.938   79.865  216.232   31.980  226.983   14.161 -10.75145 34.97463 
1 1 1   -7    7   42 o   50.050   15.892   32.452   22.317   1.6208  122.988   33.502   22.694   73.570   32.847   50.749   16.016 22.82188 36.54371 
1 1 1   -7    7   43 o   96.878   17.852  127.969   41.596  158.873  138.257  124.894   43.617  100.704   38.844   95.175   19.017 5.528656 43.24930 
1 1 1   -7    7   44 o  208.896   12.521  565.943   65.016  799.836  185.897  533.345   69.399  224.439   34.254  201.936   13.846 22.50360 36.94613 
1 1 1   -7    7   45 o   49.915   15.991   32.892   22.558   62.664  158.654   32.278   22.789   83.878   37.388   49.594   16.092 34.28443 40.70443 
1 1 1   -7    7   46 o  116.019   12.888  178.055   36.708   80.321  180.254  182.283   37.494   85.582   38.847  117.338   13.015 -31.75623 40.96902 
1 1 1   -7    8    1 o  428.104   14.284  2295.31  152.703  2312.12  215.864  2278.48  216.046  429.023   20.149  425.870   20.315 3.153656 28.61254 
1 1 1   -7    8    2 o  256.188   10.076  820.749   64.464  809.508   90.972  832.086   91.361  253.817   14.412  257.359   14.272 -3.542068 20.28289 
1 1 1   -7    8    3 o  291.545   10.918  1063.23   79.487  1066.61  112.332  1059.84  112.493  291.329   15.496  290.393   15.569 0.9355469 21.96696 
1 1 1   -7    8    4 o  258.522   10.193  835.823   65.806  870.499   93.054  801.133   93.073  263.251   14.208  252.443   14.829 10.80826 20.53691 
1 1 1   -7    8    5 o  147.734   12.224  274.995   44.690  346.196   62.982  202.794   63.422  165.502   15.417  125.354   21.004 40.14803 26.05434 
1 1 1   -7    8    6 o  431.655   20.364  2341.09  219.506  2285.03  310.012  2397.46  310.846  424.030   29.460  434.546   28.809 -10.51633 41.20513 
1 1 1   -7    8    7 o  401.096   19.204  2019.76  192.352  1933.48  271.562  2106.63  272.494  390.258   28.053  407.699   26.916 -17.44125 38.87733 
1 1 1   -7    8    8 o  739.945   32.461  6940.73  599.816  6616.77  847.390  7266.04  849.148  714.812   47.747  750.397   45.530 -35.58575 65.97565 
1 1 1   -7    8    9 o  629.306   27.937  4998.85  439.032  5390.83  621.341  4608.03  620.429  649.299   38.493  598.880   41.747 50.41962 56.78467 
1 1 1   -7    8   10 o  382.283   18.598  1833.26  177.545  1992.54  251.095  1674.00  251.079  396.940   25.466  363.207   27.896 33.73221 37.77139 
1 1 1   -7    8   11 o  379.421   18.501  1805.56  175.293  1948.01  247.955  1663.23  247.850  392.522   25.433  362.145   27.615 30.37695 37.54227 
1 1 1   -7    8   12 o  225.963   19.771  645.548  110.440   0.0000   0.0000  645.548  110.440  ?   ?   225.963   19.771 0.000000 19.77119 
1 1 1   -7    8   13 f  183.699   12.915  424.301   58.869  424.301   58.869   0.0000   0.0000  183.699   12.915  ?   ?  0.000000 12.91524 
1 1 1   -7    8   14 o  285.927   10.901  1022.30   77.837  1054.16  110.093  990.459  110.064  289.740   15.270  280.771   15.762 8.969147 21.94539 
1 1 1   -7    8   15 o  287.915   10.955  1036.60   78.766  1052.35  111.328  1020.80  111.457  289.469   15.457  285.055   15.718 4.413879 22.04516 
1 1 1   -7    8   16 o  535.895   17.006  3599.17  227.580  3728.23  322.016  3470.39  321.679  544.464   23.684  525.163   24.529 19.30139 34.09697 
1 1 1   -7    8   17 o  341.660   12.228  1460.43  104.328  1450.01  147.451  1470.88  147.633  339.643   17.444  342.099   17.338 -2.455719 24.59471 
1 1 1   -7    8   18 o  449.322   14.931  2528.82  167.531  2496.23  236.795  2561.48  237.055  445.689   21.276  451.511   21.025 -5.821777 29.91169 
1 1 1   -7    8   19 o  235.323   8.6859  692.242   51.042  672.131   72.169  712.370   72.200  231.396   12.536  238.276   12.175 -6.880096 17.47516 
1 1 1   -7    8   20 o  482.361   15.721  2917.60  189.369  3008.21  267.960  2827.21  267.658  488.802   21.953  473.746   22.625 15.05594 31.52455 
1 1 1   -7    8   21 o  496.493   18.755  3099.25  232.527  3138.70  404.077  3079.72  284.320  495.097   32.870  494.057   23.045 1.039978 40.14365 
1 1 1   -7    8   22 o  157.817   12.975  314.246   50.680  326.078   76.902  305.162   67.381  159.730   19.697  154.793   17.753 4.937042 26.51659 
1 1 1   -7    8   23 o  671.794   29.770  5764.51  499.424  6104.67  708.532  5428.63  704.073  682.860   41.751  642.033   44.184 40.82642 60.78943 
1 1 1   -7    8   24 o  165.484   11.385  344.860   46.761  228.617   84.729  395.772   56.074  131.660   26.684  177.154   12.761 -45.49435 29.57872 
1 1 1   -7    8   25 o  492.206   18.600  3060.79  228.613  3263.37  398.745  2961.59  279.027  501.597   32.001  482.612   23.152 18.98462 39.49793 
1 1 1   -7    8   26 o  279.642   12.539  982.329   87.564  1021.95  156.001  964.104  105.804  282.563   22.290  276.194   15.402 6.368164 27.09314 
1 1 1   -7    8   27 o  305.596   13.375  1174.91  102.066  1173.19  181.055  1175.72  123.572  301.891   24.221  304.724   16.298 -2.832764 29.19358 
1 1 1   -7    8   28 o  185.752   11.524  435.050   53.193  371.053   98.832  461.150   63.115  168.595   24.166  190.959   13.319 -22.36446 27.59312 
1 1 1   -7    8   29 f  116.488   13.419  173.080   38.320   0.0000   0.0000  173.080   38.320  ?   ?   116.488   13.419 0.000000 13.41861 
1 1 1   -7    8   30 o  357.025   18.187  1621.59  161.614  1808.68  235.380  1454.73  222.294  373.912   25.359  334.456   26.842 39.45621 36.92618 
1 1 1   -7    8   31 o  324.570   12.613  1326.04  102.231  1703.23  187.626  1166.77  121.918  364.827   20.680  303.261   16.157 61.56604 26.24330 
1 1 1   -7    8   32 o  139.632   11.964  247.025   41.313  230.645   89.701  251.435   46.543  130.878   28.272  140.622   13.417 -9.744080 31.29417 
1 1 1   -7    8   33 o  216.515   12.307  592.005   66.266  561.366  128.360  603.138   77.375  207.070   25.353  218.125   14.284 -11.05495 29.09993 
1 1 1   -7    8   34 o  393.818   15.899  1964.42  156.355  2084.71  281.111  1910.54  188.143  398.650   28.424  386.511   19.556 12.13864 34.50218 
1 1 1   -7    8   35 o   99.109   16.653  127.926   39.754   62.299   88.935  144.314   44.442   80.908   31.169  105.202   17.534 -24.29337 35.76270 
1 1 1   -7    8   36 o  179.084   13.694  407.693   60.775   0.0000   0.0000  407.693   60.775  ?   ?   179.084   13.694 0.000000 13.69368 
1 1 1   -7    8   37 o  204.452   12.186  529.566   61.932  559.120  135.633  521.781   69.613  204.487   27.239  202.513   13.848 1.973648 30.55710 
1 1 1   -7    8   38 o  311.898   13.690  1234.87  106.626  1346.25  208.546  1195.45  124.069  317.674   26.532  305.422   16.326 12.25180 31.15241 
1 1 1   -7    8   39 o  223.854   12.604  638.092   70.171  601.768  154.338  647.557   78.785  207.902   30.647  224.969   14.095 -17.06766 33.73296 
1 1 1   -7    8   40 o  164.128   20.138  357.904   80.804   0.0000   0.0000  357.904   80.804  ?   ?   164.128   20.138 0.000000 20.13764 
1 1 1   -7    8   41 o  187.752   11.872  451.114   55.376  726.667  150.691  408.092   59.542  228.048   26.984  177.900   13.504 50.14786 30.17459 
1 1 1   -7    8   42 o  117.143   12.848  178.158   36.966  167.104  133.011  179.083   38.482  104.443   38.576  117.262   13.381 -12.81922 40.83105 
1 1 1   -7    8   43 o  209.628   12.473  567.165   64.997  821.504  176.362  527.189   69.919  234.720   30.835  201.231   14.001 33.48885 33.86479 
1 1 1   -7    8   44 o  146.172   17.925  288.560   64.058   96.776  159.234  325.590   69.969   91.005   39.056  155.043   18.433 -64.03830 43.18712 
1 1 1   -7    8   45 o  130.221   12.846  222.084   41.230  275.990  169.278  218.685   42.511  118.198   43.543  128.952   13.397 -10.75462 45.55741 
1 1 1   -7    8   46 o  113.227   13.142  169.636   36.467  180.380  181.506  169.184   37.226   98.733   42.016  112.918   13.468 -14.18545 44.12187 
1 1 1   -7    9    1 o  272.370   10.507  927.724   71.464  891.201  100.781  964.662  101.351  266.296   15.218  277.146   14.697 -10.85025 21.15651 
1 1 1   -7    9    2 o  380.404   12.809  1811.06  121.682  1755.15  171.788  1867.35  172.383  374.021   18.393  385.841   17.891 -11.82034 25.65886 
1 1 1   -7    9    3 f  447.487   14.606  2507.91  163.215  2479.33  230.691  2536.56  230.950  444.232   20.796  449.358   20.581 -5.125763 29.25830 
1 1 1   -7    9    4 o  294.533   11.035  1085.05   81.162  1126.34  114.773  1043.75  114.786  299.444   15.401  288.153   16.015 11.29059 22.21885 
1 1 1   -7    9    5 o   63.124   10.268   51.111   15.630   58.802   21.995   43.264   22.215   67.339   13.549   57.735   15.200 9.604561 20.36198 
1 1 1   -7    9    6 f  200.601   9.2099  503.052   46.136  506.023   65.087  500.051   65.406  200.648   13.061  199.441   13.207 1.207458 18.57494 
1 1 1   -7    9    7 o  183.751   8.9799  422.060   41.205  431.803   58.229  412.287   58.316  185.328   12.658  181.037   12.986 4.290726 18.13415 
1 1 1   -7    9    8 o  248.643   9.8918  772.969   61.419  747.208   86.661  798.966   87.060  243.870   14.293  252.246   13.874 -8.375519 19.91939 
1 1 1   -7    9    9 o  536.660   17.109  3610.23  229.283  3635.75  324.286  3584.72  324.224  537.501   24.160  533.686   24.328 3.814758 34.28653 
1 1 1   -7    9   10 o  274.506   10.642  942.268   72.949  925.784  103.095  958.797  103.236  271.453   15.271  276.292   15.019 -4.839966 21.41896 
1 1 1   -7    9   11 o  275.924   10.441  951.953   71.940  911.523  101.468  992.817  102.010  269.367   15.146  281.220   14.576 -11.85278 21.02056 
1 1 1   -7    9   12 o  697.537   21.431  6110.86  373.306  6135.74  527.933  6085.98  527.936  696.914   30.335  694.049   30.461 2.865051 42.98944 
1 1 1   -7    9   13 o  657.001   20.501  5418.38  336.345  5402.82  475.562  5433.95  475.765  654.292   29.106  656.191   29.034 -1.899536 41.11157 
1 1 1   -7    9   14 o  485.289   15.715  2949.75  190.447  2933.56  269.196  2965.98  269.469  483.186   22.310  485.862   22.210 -2.676239 31.48044 
1 1 1   -7    9   15 o  389.569   13.376  1899.29  130.126  1939.45  184.044  1859.16  184.006  393.230   18.742  384.967   19.141 8.262878 26.78891 
1 1 1   -7    9   16 o  628.684   19.745  4960.48  309.977  4980.27  438.316  4940.68  438.431  628.320   27.935  625.790   28.056 2.530396 39.59185 
1 1 1   -7    9   17 o  288.384   11.161  1040.19   80.377  1081.40  113.644  998.936  113.698  293.394   15.567  281.876   16.221 11.51788 22.48217 
1 1 1   -7    9   18 o  384.169   12.882  1847.25  123.582  1782.56  174.526  1912.30  175.018  376.890   18.544  390.427   17.951 -13.53687 25.80912 
1 1 1   -7    9   19 o  487.372   15.386  2977.08  187.259  2924.16  264.694  3030.10  264.956  482.070   21.988  490.788   21.619 -8.717407 30.83557 
1 1 1   -7    9   20 o  475.535   15.734  2836.05  186.837  2896.59  264.278  2775.54  264.178  479.558   22.068  469.342   22.540 10.21542 31.54468 
1 1 1   -7    9   21 o  212.242   9.7117  563.530   51.473  536.510   72.784  590.563   72.802  206.384   14.209  216.662   13.523 -10.27855 19.61582 
1 1 1   -7    9   22 o  405.537   16.168  2065.83  163.734  2027.28  284.996  2084.82  200.043  398.151   28.860  406.807   19.692 -8.656433 34.93814 
1 1 1   -7    9   23 o  557.610   25.245  3947.50  351.525  4120.48  499.372  3777.60  494.920  564.084   35.634  539.275   36.975 24.80908 51.35103 
1 1 1   -7    9   24 o   85.966   12.840   94.747   26.719   79.215   55.384   99.459   30.503   79.346   25.018   87.850   14.404 -8.504143 28.86845 
1 1 1   -7    9   25 o  490.286   18.853  3038.18  230.828  2944.95  401.510  3084.20  282.109  475.164   34.064  492.556   22.936 -17.39243 41.06567 
1 1 1   -7    9   26 o  257.869   12.073  834.953   77.740  951.742  140.043  782.933   93.464  273.092   20.689  248.866   15.111 24.22554 25.61967 
1 1 1   -7    9   27 o  204.023   11.009  523.899   55.883  608.428  103.959  489.548   66.272  218.223   19.275  196.786   13.569 21.43745 23.57212 
1 1 1   -7    9   28 o  176.636   10.700  392.995   46.972  475.889   90.807  362.710   54.886  192.742   19.119  169.290   13.085 23.45111 23.16756 
1 1 1   -7    9   29 o  333.179   13.655  1398.29  113.612  1592.32  203.502  1310.44  136.940  351.905   23.289  321.299   17.129 30.60571 28.91022 
1 1 1   -7    9   30 o  185.792   20.230  444.514   92.342   0.0000   0.0000  444.514   92.342  ?   ?   185.792   20.230 0.000000 20.23019 
1 1 1   -7    9   31 o  213.109   11.548  572.529   61.224  613.921  117.508  557.106   71.729  218.101   21.870  209.787   13.768 8.313507 25.84303 
1 1 1   -7    9   32 o  229.158   11.957  662.305   68.185  749.071  130.882  629.984   79.882  241.000   21.990  222.970   14.424 18.03055 26.29838 
1 1 1   -7    9   33 o  142.940   12.388  259.095   43.782  138.351   93.686  292.832   49.522  102.629   32.558  151.878   13.188 -49.24920 35.12772 
1 1 1   -7    9   34 o  285.638   13.037  1028.46   92.990  1139.31  176.089  985.592  109.504  296.431   23.994  278.574   15.806 17.85730 28.73221 
1 1 1   -7    9   35 o  189.825   12.113  455.630   57.118  464.138  122.245  453.254   64.604  187.149   26.933  188.977   13.785 -1.828537 30.25597 
1 1 1   -7    9   36 o  241.224   26.449  767.133  156.708  767.133  156.708   0.0000   0.0000  241.224   26.449  ?   ?  0.000000 26.44856 
1 1 1   -7    9   37 o  144.728   11.623  265.761   41.653  346.695  110.270  252.291   44.986  159.875   28.673  140.716   12.947 19.15970 31.46112 
1 1 1   -7    9   38 o  204.075   12.555  528.912   63.674  540.373  139.452  525.894   71.570  199.455   28.835  203.012   14.207 -3.557175 32.14519 
1 1 1   -7    9   39 f   94.827   13.126  116.280   30.249  113.634  107.906  116.505   31.513   95.119   34.807   94.774   13.714 0.3455658 37.41078 
1 1 1   -7    9   40 o  129.986   12.859  217.141   41.194  104.478  119.697  232.277   43.874   93.632   36.135  134.367   13.248 -40.73543 38.48722 
1 1 1   -7    9   41 o  156.910   20.661  330.685   78.989   0.0000   0.0000  330.685   78.989  ?   ?   156.910   20.661 0.000000 20.66137 
1 1 1   -7    9   42 o  227.823   13.451  669.751   76.188  451.133  173.998  721.608   84.744  164.291   42.191  235.923   14.454 -71.63287 44.59851 
1 1 1   -7    9   43 o  198.069   12.705  506.617   62.509  496.292  166.255  508.317   67.459  173.714   39.251  197.852   13.739 -24.13838 41.58563 
1 1 1   -7    9   44 o  233.964   13.221  710.338   76.927  713.431  191.107  709.740   84.035  208.732   38.066  232.967   14.517 -24.23416 40.74048 
1 1 1   -7    9   45 o  107.218   17.921  157.445   46.289  105.770  160.832  162.113   48.334   91.186   39.196  108.528   18.498 -17.34176 43.34119 
1 1 1   -7    9   46 o  138.585   12.779  251.999   43.727  155.010  178.180  258.215   45.107   96.395   41.340  140.160   13.037 -43.76526 43.34676 
1 1 1   -7    9   47 o   73.955   15.211   75.312   27.154  324.545  195.026   70.385   27.421  116.131   45.745   71.197   15.833 44.93404 48.40774 
1 1 1   -7   10    1 o  567.435   18.013  4038.54  255.241  4079.60  360.910  3997.46  361.021  569.041   25.398  563.229   25.668 5.811646 36.11001 
1 1 1   -7   10    2 o  948.166   28.834 11355.88  682.714 11360.49  965.434 11351.27  965.571  942.823   41.005  942.428   41.028 0.3945923 58.00676 
1 1 1   -7   10    3 o  198.925   9.2570  494.673   45.984  492.476   64.753  496.909   65.315  197.926   13.176  198.813   13.231 -0.8871155 18.67297 
1 1 1   -7   10    4 o  300.543   11.150  1129.76   83.684  1141.43  118.213  1118.04  118.482  301.423   15.760  298.288   15.964 3.135773 22.43263 
1 1 1   -7   10    5 o  479.500   15.619  2880.48  187.022  2908.90  264.501  2852.07  264.478  481.059   22.018  476.305   22.236 4.754028 31.29257 
1 1 1   -7   10    6 o  247.827   10.051  767.933   62.203  791.246   87.918  744.565   88.021  251.001   14.083  243.411   14.547 7.589554 20.24770 
1 1 1   -7   10    7 o  300.118   11.047  1126.49   82.788  1127.59  116.886  1125.38  117.275  299.606   15.677  299.303   15.746 0.3034058 22.21981 
1 1 1   -7   10    8 o  230.155   9.6754  662.233   55.609  653.774   78.486  670.760   78.800  228.114   13.844  231.081   13.717 -2.967636 19.48854 
1 1 1   -7   10    9 o  395.442   13.431  1957.17  132.628  1973.80  187.415  1940.49  187.713  396.649   18.921  393.270   19.114 3.379517 26.89531 
1 1 1   -7   10   10 o  422.900   14.162  2238.92  149.554  2215.84  211.302  2262.09  211.701  420.150   20.140  424.530   19.969 -4.380615 28.36150 
1 1 1   -7   10   11 f  570.966   25.649  4105.24  365.704   0.0000   0.0000  4105.24  365.704  ?   ?   570.966   25.649 0.000000 25.64892 
1 1 1   -7   10   12 o  297.160   15.653  1109.09  115.742  1109.09  115.742   0.0000   0.0000  297.160   15.653  ?   ?  0.000000 15.65250 
1 1 1   -7   10   13 o  529.682   16.652  3515.66  220.261  3821.62  311.893  3211.24  311.100  551.414   22.650  505.155   24.662 46.25882 33.48504 
1 1 1   -7   10   14 o  512.889   16.492  3296.15  211.227  3278.52  298.630  3313.79  298.810  510.600   23.421  513.356   23.309 -2.755859 33.04316 
1 1 1   -7   10   15 o  237.283   10.098  703.954   59.836  719.319   84.482  688.487   84.760  239.283   14.202  234.042   14.575 5.241028 20.35015 
1 1 1   -7   10   16 o  798.493   24.597  8027.00  490.457  7892.28  693.368  8161.92  693.855  788.362   35.220  801.932   34.648 -13.56970 49.40585 
1 1 1   -7   10   17 o  390.415   13.273  1907.98  129.404  1856.86  182.700  1959.45  183.312  384.637   19.021  395.167   18.576 -10.53000 26.58728 
1 1 1   -7   10   18 o  117.744   9.3070  174.411   27.142  195.968   38.005  151.972   38.776  124.522   12.387  109.188   14.586 15.33381 19.13564 
1 1 1   -7   10   19 o  170.678   9.4771  365.398   40.234  396.704   56.796  333.863   57.003  177.534   12.899  162.635   14.177 14.89935 19.16739 
1 1 1   -7   10   20 o  301.846   11.639  1140.51   87.730  1121.66  123.854  1159.49  124.286  298.483   16.683  303.523   16.459 -5.040283 23.43578 
1 1 1   -7   10   21 o  528.276   17.055  3505.91  224.984  3449.27  317.949  3562.71  318.401  522.331   24.376  530.948   24.014 -8.616943 34.21812 
1 1 1   -7   10   22 o  232.848   9.9859  678.575   58.064  694.388   82.298  662.901   81.934  234.852   14.098  229.407   14.375 5.444672 20.13438 
1 1 1   -7   10   23 o  206.858   12.465  538.451   64.089  760.242   96.862  365.750   85.473  245.412   15.891  168.957   20.691 76.45512 26.08856 
1 1 1   -7   10   24 o  188.147   13.291  446.590   62.044  484.552   93.353  416.554   83.037  194.927   19.437  180.749   18.666 14.17798 26.94841 
1 1 1   -7   10   25 o  388.632   15.372  1901.44  149.185  1998.61  260.909  1854.24  181.844  394.371   26.649  382.944   19.016 11.42712 32.73822 
1 1 1   -7   10   26 o  309.981   13.403  1208.18  103.747  1272.29  183.590  1178.10  125.751  315.010   23.508  305.102   16.567 9.907745 28.75918 
1 1 1   -7   10   27 o  260.864   12.356  855.197   80.492  854.653  144.453  855.441   96.936  257.894   22.660  260.086   14.988 -2.192169 27.16870 
1 1 1   -7   10   28 o   56.663   15.215   41.890   21.983   16.474   55.031   46.716   23.980   58.150   23.806   59.771   15.819 -1.621120 28.58291 
1 1 1   -7   10   29 o  198.441   11.059  496.038   54.582  629.800  104.118  445.346   64.096  221.939   18.969  187.525   13.784 34.41422 23.44785 
1 1 1   -7   10   30 o  276.936   13.371  965.987   92.468  865.715  166.812  1010.47  111.100  257.789   26.280  282.324   15.822 -24.53519 30.67555 
1 1 1   -7   10   31 o  217.220   21.005  607.451  112.516   0.0000   0.0000  607.451  112.516  ?   ?   217.220   21.005 0.000000 21.00475 
1 1 1   -7   10   32 o  154.928   11.760  303.535   45.158  260.371   95.249  316.051   51.289  139.252   28.355  157.867   13.129 -18.61507 31.24678 
1 1 1   -7   10   33 o  203.647   12.107  523.667   61.291  505.418  120.905  529.978   71.104  196.445   25.230  204.491   14.009 -8.046387 28.85778 
1 1 1   -7   10   34 o  165.932   12.281  348.518   50.528  279.926  107.876  367.796   57.190  143.452   31.017  170.235   13.566 -26.78304 33.85399 
1 1 1   -7   10   35 o  128.900   13.765  212.062   43.622   0.0000   0.0000  212.062   43.622  ?   ?   128.900   13.765 0.000000 13.76492 
1 1 1   -7   10   36 o  189.961   15.379  460.187   72.328  442.188  125.739  469.087   88.421  181.635   28.673  190.834   18.799 -9.198380 34.28588 
1 1 1   -7   10   37 o  358.045   18.012  1641.54  160.528  1889.48  243.290  1450.36  213.632  379.319   25.838  332.052   25.971 47.26724 36.63459 
1 1 1   -7   10   38 o  176.718   12.347  396.714   54.147  469.887  127.807  380.707   59.776  186.168   28.390  172.680   13.982 13.48732 31.64644 
1 1 1   -7   10   39 f   54.581   16.055   38.829   23.342   16.995  102.470   40.024   23.972   73.832   31.498   55.382   16.264 18.44914 35.44926 
1 1 1   -7   10   40 o  116.536   12.599  174.596   36.080  252.230  117.333  166.488   37.918  130.588   35.187  113.484   13.654 17.10308 37.74345 
1 1 1   -7   10   41 o  157.366   12.498  317.733   48.711  257.668  136.737  326.463   52.131  128.304   39.124  159.273   13.227 -30.96872 41.29930 
1 1 1   -7   10   42 o  109.499   22.088  166.123   58.313   0.0000   0.0000  166.123   58.313  ?   ?   109.499   22.088 0.000000 22.08773 
1 1 1   -7   10   43 o  104.247   13.102  141.909   33.353  308.255  141.127  132.068   34.326  135.941   39.331  100.167   14.114 35.77458 41.78679 
1 1 1   -7   10   44 o  148.836   13.099  288.116   48.190  114.876  157.738  305.951   50.610   94.541   39.644  153.284   13.355 -58.74319 41.83353 
1 1 1   -7   10   45 o   81.665   14.633   89.535   28.746 -27.5498  153.681   93.780   29.262   74.778   34.644   83.658   14.534 -8.880821 37.56928 
1 1 1   -7   10   46 o  103.874   18.545  149.759   46.339   14.015  168.495  160.866   48.197   79.877   36.744  107.713   18.590 -27.83561 41.17948 
1 1 1   -7   10   47 o  158.855   12.654  331.542   49.781  606.593  205.653  314.422   51.307  167.563   47.157  154.177   13.461 13.38660 49.04083 
1 1 1   -7   11    1 o  398.743   19.130  1995.66  190.484  2098.16  269.392  1893.16  269.379  407.010   26.652  386.209   28.124 20.80142 38.74697 
1 1 1   -7   11    2 o  550.164   24.749  3812.08  340.013  3598.32  480.280  4026.85  481.423  530.669   36.464  562.182   34.459 -31.51257 50.17002 
1 1 1   -7   11    3 o  632.424   19.843  5021.49  313.370  5146.61  443.217  4896.42  443.127  638.568   27.794  622.681   28.498 15.88629 39.80778 
1 1 1   -7   11    4 f  486.432   15.781  2964.60  191.692  2985.95  270.989  2943.22  271.197  487.347   22.267  483.821   22.447 3.525970 31.61756 
1 1 1   -7   11    5 o  365.884   12.674  1675.21  115.796  1642.01  163.569  1708.57  163.951  361.367   18.184  369.114   17.787 -7.746918 25.43704 
1 1 1   -7   11    6 o  387.433   13.299  1878.73  128.668  1944.06  181.911  1813.32  182.016  393.667   18.505  379.645   19.262 14.02216 26.71053 
1 1 1   -7   11    7 f  359.592   12.492  1617.93  112.177  1614.63  158.448  1621.25  158.836  358.844   17.682  359.579   17.689 -0.7350464 25.01110 
1 1 1   -7   11    8 o  326.693   11.859  1335.12   96.749  1378.43  136.717  1291.68  136.932  331.655   16.508  320.549   17.169 11.10629 23.81744 
1 1 1   -7   11    9 o  155.297   8.7793  302.397   33.907  299.415   47.819  305.413   48.086  154.187   12.528  155.740   12.469 -1.552948 17.67534 
1 1 1   -7   11   10 o  580.370   21.254  4230.88  308.033  4556.21  534.004  4068.65  377.095  597.944   35.930  568.179   26.578 29.76520 44.69122 
1 1 1   -7   11   11 o  214.243   11.044  575.550   58.886  584.445   71.356  556.561  104.263  215.691   13.313  209.612   20.168 6.078583 24.16549 
1 1 1   -7   11   12 o  141.049   8.8031  249.628   30.852  241.038   43.566  258.268   43.697  138.207   12.768  143.149   12.345 -4.942123 17.75947 
1 1 1   -7   11   13 o  732.642   22.607  6747.67  413.608  6860.29  584.885  6635.01  584.975  736.293   31.810  723.935   32.358 12.35785 45.37584 
1 1 1   -7   11   14 o  465.204   15.031  2710.40  174.618  2809.16  247.107  2611.89  246.787  472.928   20.924  455.923   21.676 17.00565 30.12732 
1 1 1   -7   11   15 o  452.605   14.350  2565.06  162.184  2438.19  228.948  2692.85  229.781  440.578   20.810  463.138   19.868 -22.55936 28.77100 
1 1 1   -7   11   16 o  506.425   16.121  3214.20  203.872  3152.84  288.123  3275.73  288.513  500.595   23.048  510.326   22.640 -9.730804 32.30755 
1 1 1   -7   11   17 o  298.777   11.357  1116.77   84.735  1102.97  119.593  1130.69  120.076  296.185   16.231  299.911   16.092 -3.726563 22.85594 
1 1 1   -7   11   18 o  290.863   10.549  1058.24   76.623  1006.09  108.052  1111.00  108.673  282.906   15.352  297.777   14.614 -14.87109 21.19594 
1 1 1   -7   11   19 o  276.575   11.129  957.214   76.865  984.885  108.539  929.374  108.869  279.816   15.595  271.722   16.117 8.093567 22.42662 
1 1 1   -7   11   20 o  309.257   11.796  1197.46   91.098  1211.22  128.667  1183.63  128.999  310.161   16.673  306.560   16.916 3.600983 23.75216 
1 1 1   -7   11   21 o  689.584   21.657  5999.32  372.931  6005.45  527.334  5993.19  527.472  686.338   30.768  685.619   30.808 0.7194214 43.54087 
1 1 1   -7   11   22 f  222.040   10.122  617.156   56.123  619.343   79.236  614.954   79.505  221.684   14.391  220.880   14.495 0.8044739 20.42536 
1 1 1   -7   11   23 o  377.516   19.055  1802.16  179.058  1524.52  253.846  2077.11  252.610  343.926   29.853  403.520   25.195 -59.59415 39.06361 
1 1 1   -7   11   24 o  446.733   21.412  2528.43  238.863  2458.69  339.733  2596.60  335.908  435.888   31.422  448.614   30.160 -12.72592 43.55400 
1 1 1   -7   11   25 o  321.767   13.818  1301.60  111.026  1337.12  195.071  1284.58  135.031  322.955   24.367  318.653   17.031 4.302094 29.72920 
1 1 1   -7   11   26 o  295.286   12.799  1095.79   94.374  1223.24  167.575  1036.59  114.208  309.353   21.832  286.235   16.043 23.11853 27.09285 
1 1 1   -7   11   27 o  175.488   11.927  388.625   51.958  274.721   95.786  436.113   61.848  143.752   27.687  185.698   13.428 -41.94653 30.77175 
1 1 1   -7   11   28 o  146.655   10.973  271.501   39.894  320.898   79.006  254.596   46.220  157.551   20.572  141.632   13.221 15.91928 24.45440 
1 1 1   -7   11   29 o  363.073   14.690  1662.79  133.191  1805.48  236.214  1596.27  161.273  373.770   25.459  354.302   18.290 19.46713 31.34824 
1 1 1   -7   11   30 o  418.895   16.630  2220.68  173.957  2251.05  306.158  2206.20  211.396  414.757   29.758  416.146   20.342 -1.389343 36.04615 
1 1 1   -7   11   31 o  149.776   11.472  283.570   42.582  424.700   90.703  243.672   48.226  181.478   20.366  138.300   14.164 43.17752 24.80705 
1 1 1   -7   11   32 o   75.590   23.686   73.010   49.726   0.0000   0.0000   73.010   49.726  ?   ?    75.590   23.686 0.000000 23.68644 
1 1 1   -7   11   33 o  219.318   11.477  606.402   62.636  759.155  125.460  555.687   72.290  242.943   20.883  209.442   13.901 33.50146 25.08632 
1 1 1   -7   11   34 o  178.270   11.850  401.611   52.453  451.667  112.849  387.817   59.241  185.521   24.995  174.817   13.679 10.70399 28.49341 
1 1 1   -7   11   35 o  297.444   17.782  1128.81  131.477  1084.64  194.816  1165.76  178.171  287.336   27.486  299.698   24.008 -12.36182 36.49511 
1 1 1   -7   11   36 o   87.029   15.558   98.782   32.571   16.312   97.660  109.103   34.549   73.522   31.031   91.544   15.677 -18.02148 34.76614 
1 1 1   -7   11   37 o  161.320   12.436  330.349   49.710  411.462  120.863  313.834   54.537  174.648   28.711  156.848   14.074 17.79997 31.97449 
1 1 1   -7   11   38 o  364.003   19.358  1709.18  175.333  1753.58  263.430  1673.87  234.927  361.265   29.457  355.161   26.683 6.104004 39.74552 
1 1 1   -7   11   39 o  112.203   13.401  162.044   36.806  105.477  111.910  168.905   38.974   94.114   35.260  114.453   13.923 -20.33868 37.90949 
1 1 1   -7   11   40 o  108.355   13.768  151.975   36.412   66.891  116.186  161.242   38.343   85.853   34.801  111.570   14.076 -25.71740 37.53997 
1 1 1   -7   11   41 o   99.590   13.765  129.184   33.319  279.313  122.815  117.257   34.617  135.832   35.729   94.373   15.205 41.45869 38.82954 
1 1 1   -7   11   42 o  151.376   12.815  295.406   47.989  200.824  139.864  308.026   51.090  113.174   39.847  154.380   13.385 -41.20593 42.03474 
1 1 1   -7   11   43 o   78.047   23.604   85.315   49.919   0.0000   0.0000   85.315   49.919  ?   ?    78.047   23.604 0.000000 23.60365 
1 1 1   -7   11   44 o   62.423   16.279   53.038   25.640  159.932  143.709   49.524   26.058  101.614   39.488   60.370   16.715 41.24433 42.87986 
1 1 1   -7   11   45 f  217.690   12.817  614.771   69.367  955.664  200.606  568.476   73.928  247.697   33.273  208.356   14.295 39.34065 36.21422 
1 1 1   -7   11   46 f  138.874   13.173  253.018   45.137  194.489  180.889  256.904   46.611  103.650   42.875  139.766   13.524 -36.11608 44.95712 
1 1 1   -7   11   47 o  188.924   17.612  487.447   82.134  659.214  216.100  458.445   88.797  175.499   47.948  181.018   19.977 -5.519302 51.94349 
1 1 1   -7   12    1 o  184.193   9.3642  425.271   42.930  434.447   60.263  415.817   61.171  185.836   13.069  181.732   13.577 4.104187 18.84526 
1 1 1   -7   12    2 o  251.374   10.347  790.232   64.948  832.153   91.635  747.913   92.069  257.373   14.314  243.858   15.195 13.51460 20.87511 
1 1 1   -7   12    3 f  465.403   21.594  2722.90  250.964  2654.19  354.590  2791.86  355.245  456.777   31.275  468.729   30.516 -11.95233 43.69598 
1 1 1   -7   12    4 o  657.183   29.143  5458.51  478.263  5292.25  675.946  5625.18  676.789  641.482   42.436  662.003   41.143 -20.52063 59.10659 
1 1 1   -7   12    5 o  568.513   18.082  4054.30  256.710  4155.37  363.010  3953.21  363.075  574.282   25.313  560.007   25.963 14.27502 36.26040 
1 1 1   -7   12    6 f  527.551   16.753  3488.67  220.706  3385.54  311.847  3592.16  312.403  518.610   24.080  534.318   23.413 -15.70886 33.58600 
1 1 1   -7   12    7 o  467.468   15.313  2737.42  178.756  2743.51  252.676  2731.31  252.923  467.228   21.656  466.178   21.726 1.050079 30.67620 
1 1 1   -7   12    8 o  679.646   21.159  5803.21  359.119  5707.35  507.670  5899.22  508.071  671.852   30.259  683.186   29.781 -11.33380 42.45597 
1 1 1   -7   12    9 f  626.441   19.614  4925.78  306.823  4786.54  433.607  5065.41  434.220  615.795   28.197  633.662   27.441 -17.86646 39.34600 
1 1 1   -7   12   10 o  210.158   9.4260  552.131   49.468  470.916   69.687  634.625   70.233  193.383   14.537  224.857   12.558 -31.47362 19.21000 
1 1 1   -7   12   11 o  355.678   12.556  1582.98  111.525  1580.46  157.420  1585.51  158.023  354.564   17.836  355.125   17.876 -0.5612793 25.25267 
1 1 1   -7   12   12 f  401.802   13.632  2020.96  136.783  2045.66  193.246  1996.16  193.634  403.745   19.167  398.801   19.444 4.943268 27.30244 
1 1 1   -7   12   13 o  357.433   12.641  1598.75  112.832  1601.30  159.320  1596.18  159.820  357.323   17.855  356.286   18.022 1.036469 25.36888 
1 1 1   -7   12   14 o  326.755   11.952  1335.83   97.527  1311.34  137.568  1360.57  138.282  322.954   17.119  329.007   16.888 -6.053253 24.04707 
1 1 1   -7   12   15 o  687.112   21.241  5934.01  364.467  5844.15  515.203  6024.04  515.666  679.558   30.360  690.070   29.924 -10.51160 42.62857 
1 1 1   -7   12   16 o  557.954   17.873  3906.10  249.027  3886.64  351.965  3925.61  352.390  555.184   25.387  557.981   25.290 -2.797302 35.83429 
1 1 1   -7   12   17 o  390.748   13.560  1912.11  132.310  1885.76  186.899  1938.59  187.331  387.450   19.317  392.868   19.095 -5.417633 27.16170 
1 1 1   -7   12   18 o  277.643   11.071  964.563   76.761  960.065  108.326  969.101  108.790  276.244   15.769  277.546   15.761 -1.302002 22.29513 
1 1 1   -7   12   19 o  416.515   14.091  2174.44  146.561  2084.47  206.840  2265.16  207.699  406.448   20.444  424.356   19.600 -17.90787 28.32166 
1 1 1   -7   12   20 o  527.831   16.913  3499.89  222.936  3588.21  315.311  3411.61  315.246  532.896   23.694  519.457   24.302 13.43921 33.94160 
1 1 1   -7   12   21 o  206.274   9.5491  532.412   49.188  556.983   69.378  507.577   69.748  210.355   13.275  200.674   14.006 9.681274 19.29803 
1 1 1   -7   12   22 o  237.029   10.526  703.554   62.302  671.825   87.611  736.011   88.613  230.751   15.291  241.650   14.755 -10.89990 21.24919 
1 1 1   -7   12   23 o  400.377   14.012  2013.23  140.090  2082.34  198.087  1944.06  198.147  406.079   19.534  391.677   20.329 14.40256 28.19276 
1 1 1   -7   12   24 o  595.560   27.254  4538.76  405.326  3859.07  573.330  5217.92  573.106  538.122   43.025  631.618   36.491 -93.49603 56.41565 
1 1 1   -7   12   25 o  534.133   24.700  3643.13  329.450  3729.25  467.507  3558.17  464.334  533.269   35.307  520.391   35.952 12.87885 50.38939 
1 1 1   -7   12   26 o  111.579   11.310  157.838   31.077  208.208   63.635  142.061   35.613  126.432   20.884  105.367   13.872 21.06472 25.07176 
1 1 1   -7   12   27 o  222.401   10.572  620.607   58.717  684.421  107.997  593.828   69.960  231.604   18.836  216.904   12.976 14.69997 22.87298 
1 1 1   -7   12   28 f  291.564   13.294  1070.05   96.789  1061.51  172.133  1074.00  117.045  286.777   24.264  291.108   16.164 -4.331360 29.15528 
1 1 1   -7   12   29 o  422.448   16.939  2258.83  178.697  2224.73  313.180  2275.30  217.595  411.968   30.662  422.609   20.619 -10.64124 36.94979 
1 1 1   -7   12   30 o  395.623   15.949  1978.79  157.566  1966.27  277.912  1984.72  191.281  387.989   28.891  395.047   19.390 -7.058624 34.79429 
1 1 1   -7   12   31 o  383.480   14.928  1856.82  142.955  2067.57  254.952  1760.17  172.649  399.580   25.687  372.233   18.574 27.34708 31.69860 
1 1 1   -7   12   32 f  278.972   15.534  986.757  107.787   0.0000   0.0000  986.757  107.787  ?   ?   278.972   15.534 0.000000 15.53397 
1 1 1   -7   12   33 o  233.731   21.934  705.177  126.523   0.0000   0.0000  705.177  126.523  ?   ?   233.731   21.934 0.000000 21.93384 
1 1 1   -7   12   34 o   96.246   15.174  119.869   35.261   0.0000   0.0000  119.869   35.261  ?   ?    96.246   15.174 0.000000 15.17373 
1 1 1   -7   12   35 f  303.651   16.962  1173.96  128.104  1256.02  195.144  1111.82  169.818  310.480   25.392  292.927   23.411 17.55270 34.53693 
1 1 1   -7   12   36 o  275.124   13.433  955.789   92.288  927.036  177.848  966.384  107.961  265.188   27.244  275.641   15.750 -10.45334 31.46853 
1 1 1   -7   12   37 o  136.232   12.817  236.377   43.090  343.880  113.824  218.393   46.554  158.949   29.770  130.527   14.529 28.42282 33.12659 
1 1 1   -7   12   38 o  329.500   17.619  1393.11  144.446  1580.81  224.456  1260.43  188.717  345.566   26.206  309.422   24.627 36.14389 35.96165 
1 1 1   -7   12   39 o  106.106   16.293  147.160   41.791  254.217  114.415  130.678   44.893  133.049   34.237   99.157   18.819 33.89244 39.06847 
1 1 1   -7   12   40 f  117.801   13.291  178.775   38.414  121.267  124.439  184.833   40.386   98.413   37.119  119.674   13.765 -21.26075 39.58892 
1 1 1   -7   12   41 o  176.064   12.989  397.639   56.703  302.620  146.448  414.396   61.500  138.926   40.028  179.439   13.831 -40.51256 42.35056 
1 1 1   -7   12   42 o  193.701   12.406  481.366   59.694  713.325  160.387  444.069   64.314  223.427   29.465  185.337   13.999 38.09062 32.62166 
1 1 1   -7   12   43 o  169.496   12.423  370.163   52.217  491.563  157.547  355.181   55.346  176.768   36.883  165.549   13.505 11.21919 39.27822 
1 1 1   -7   12   44 o  182.915   21.547  459.492   96.531   0.0000   0.0000  459.492   96.531  ?   ?   182.915   21.547 0.000000 21.54655 
1 1 1   -7   12   45 o   93.926   14.247  117.125   32.368  151.143  159.068  115.656   33.060   99.439   40.565   93.150   14.700 6.288971 43.14639 
1 1 1   -7   12   46 o  150.377   13.283  296.241   49.368  207.004  181.323  303.385   51.307  106.175   43.311  151.988   13.664 -45.81290 45.41537 
1 1 1   -7   12   47 o  123.827   13.269  202.538   40.391  162.350  194.195  204.355   41.294   97.147   42.404  124.255   13.527 -27.10774 44.50886 
1 1 1   -7   13    1 o  128.721   8.8115  208.120   28.153  198.370   38.980  218.751   40.705  125.245   12.636  131.595   12.538 -6.350220 17.80107 
1 1 1   -7   13    2 o  668.407   20.796  5617.58  347.116  5564.68  490.667  5670.59  491.128  662.865   29.642  669.224   29.388 -6.358948 41.74113 
1 1 1   -7   13    3 o  1135.23   34.296 16390.26  972.255 16638.17  1375.16 16142.47  1374.80  1133.42   48.586  1115.78   49.341 17.63953 69.24685 
1 1 1   -7   13    4 o  270.653   10.754  916.265   72.685  934.038  102.533  898.311  103.052  272.613   15.121  267.287   15.506 5.326355 21.65806 
1 1 1   -7   13    5 o  296.383   11.409  1098.96   84.444  1148.23  119.213  1049.35  119.630  302.267   15.849  288.821   16.657 13.44662 22.99255 
1 1 1   -7   13    6 o  324.555   16.687  1324.12  134.787  1367.62  190.525  1280.54  190.712  328.816   23.355  317.966   24.200 10.85010 33.63203 
1 1 1   -7   13    7 o  281.325   15.301  994.498  107.087  926.185  151.358  1062.96  151.529  270.415   22.622  290.080   21.062 -19.66492 30.90900 
1 1 1   -7   13    8 o  243.673   9.9146  742.438   60.330  662.334   84.832  824.408   85.815  229.469   14.885  256.268   13.457 -26.79846 20.06574 
1 1 1   -7   13    9 o  418.382   20.104  2198.43  210.039   0.0000   0.0000  2198.43  210.039  ?   ?   418.382   20.104 0.000000 20.10368 
1 1 1   -7   13   10 o   90.718   13.955  105.433   30.601  105.433   30.601   0.0000   0.0000   90.718   13.955  ?   ?  0.000000 13.95515 
1 1 1   -7   13   11 o  604.605   19.004  4588.24  286.929  4731.48  405.951  4445.24  405.608  612.446   26.543  593.441   27.370 19.00580 38.12710 
1 1 1   -7   13   12 o  335.111   12.087  1405.18  101.147  1389.14  142.643  1421.40  143.447  332.383   17.245  336.243   17.141 -3.859589 24.31432 
1 1 1   -7   13   13 o  228.426   9.9074  652.453   56.514  693.310   79.814  611.373   80.031  234.919   13.664  220.448   14.621 14.47186 20.01222 
1 1 1   -7   13   14 o  145.330   9.2123  265.115   33.260  260.769   46.426  269.697   47.673  143.739   13.077  146.183   13.202 -2.443665 18.58217 
1 1 1   -7   13   15 o  409.372   13.987  2098.98  142.986  2152.06  201.950  2045.61  202.477  413.905   19.539  403.468   20.096 10.43710 28.02887 
1 1 1   -7   13   16 o  127.465   9.3426  204.246   29.531  212.290   41.428  195.937   42.106  129.568   12.978  124.315   13.796 5.252579 18.94123 
1 1 1   -7   13   17 o  280.364   11.178  983.637   78.259  970.499  110.415  996.900  110.936  277.707   15.989  281.491   15.846 -3.783264 22.51142 
1 1 1   -7   13   18 o  467.613   15.474  2742.87  180.698  2673.59  255.216  2812.51  255.876  460.547   22.191  472.461   21.688 -11.91400 31.02922 
1 1 1   -7   13   19 o  486.216   15.991  2967.70  194.160  2958.51  274.399  2976.90  274.767  484.146   22.696  485.658   22.656 -1.511871 32.06902 
1 1 1   -7   13   20 o  170.883   9.6444  366.542   40.987  381.532   57.503  351.062   58.436  173.943   13.340  166.699   14.172 7.243454 19.46297 
1 1 1   -7   13   21 o  183.255   10.037  421.640   45.755  459.755   64.407  382.803   65.013  190.963   13.595  173.943   15.118 17.02002 20.33137 
1 1 1   -7   13   22 o  202.195   9.6578  511.815   48.764  498.843   68.561  525.096   69.371  198.858   13.894  204.078   13.692 -5.219223 19.50639 
1 1 1   -7   13   23 o  161.136   8.9308  326.006   35.796  306.751   49.685  346.785   51.615  155.806   12.886  165.772   12.562 -9.966110 17.99558 
1 1 1   -7   13   24 o  401.450   19.554  2039.42  196.028  2075.02  279.444  2004.92  275.058  401.223   28.067  394.336   28.117 6.886566 39.72804 
1 1 1   -7   13   25 o  298.628   16.756  1129.04  124.449  990.463  178.614  1259.78  173.493  276.867   26.144  313.886   22.279 -37.01938 34.34857 
1 1 1   -7   13   26 o  174.674   9.7440  383.656   42.333  384.529   59.811  382.780   59.926  174.250   13.860  173.840   13.921 0.4103851 19.64427 
1 1 1   -7   13   27 o  360.720   14.422  1639.78  129.907  1777.89  228.236  1573.60  157.997  371.538   24.741  352.012   18.034 19.52603 30.61645 
1 1 1   -7   13   28 o  214.189   11.738  578.196   62.542  619.871  114.664  560.547   74.620  219.575   21.174  210.411   14.286 9.163620 25.54301 
1 1 1   -7   13   29 o  385.161   15.881  1874.86  152.747  1898.94  268.937  1863.40  185.585  381.670   28.421  382.346   19.502 -0.6763611 34.46846 
1 1 1   -7   13   30 o  123.030   11.985  192.107   36.355  192.730   77.886  191.933   41.108  119.922   26.695  122.680   13.650 -2.758865 29.98225 
1 1 1   -7   13   31 o  536.830   18.895  3663.54  253.295  4354.83  445.499  3333.33  307.905  575.883   31.094  509.159   24.217 66.72366 39.41158 
1 1 1   -7   13   32 o  169.748   11.679  363.996   49.205  560.693  103.896  307.120   55.868  208.807   20.177  155.321   14.574 53.48596 24.89002 
1 1 1   -7   13   33 o  337.563   26.145  1482.45  218.669   0.0000   0.0000  1482.45  218.669  ?   ?   337.563   26.145 0.000000 26.14456 
1 1 1   -7   13   34 o  100.356   21.692  133.741   52.777   98.267   91.238  151.580   64.700   90.902   32.164  106.346   24.816 -15.44405 40.62469 
1 1 1   -7   13   35 o  180.852   11.873  413.462   53.324  536.703  119.431  382.778   59.594  202.659   24.070  173.586   13.864 29.07347 27.77708 
1 1 1   -7   13   36 o  120.213   13.628  184.789   40.188  150.493  105.716  190.583   43.451  106.564   34.664  121.908   14.561 -15.34403 37.59780 
1 1 1   -7   13   37 o  305.053   13.855  1177.46  105.542  1277.05  203.551  1140.84  123.430  311.362   26.429  298.981   16.597 12.38055 31.20824 
1 1 1   -7   13   38 o  206.965   12.520  543.454   64.404  688.213  145.627  508.256   71.808  227.392   26.120  199.579   14.507 27.81320 29.87834 
1 1 1   -7   13   39 o   75.940   18.738   77.226   35.316 -69.5639  106.716   95.279   37.425   62.556   28.942   84.510   18.266 -21.95403 34.22413 
1 1 1   -7   13   40 o  181.331   12.847  420.007   57.798  369.167  140.609  430.343   63.402  158.280   36.342  183.189   13.965 -24.90903 38.93255 
1 1 1   -7   13   41 o   89.478   15.396  105.683   33.160 -19.5895  121.371  115.788   34.472   72.377   32.449   93.798   15.240 -21.42127 35.84991 
1 1 1   -7   13   42 o  182.199   12.366  425.899   55.929  570.909  158.627  405.313   59.767  196.260   33.573  177.223   13.609 19.03767 36.22643 
1 1 1   -7   13   43 o  258.511   13.926  864.460   89.568  731.452  199.840  897.896  100.196  214.820   38.675  262.503   15.352 -47.68269 41.61032 
1 1 1   -7   13   44 o  106.348   14.107  148.772   36.540  270.529  154.512  141.560   37.607  124.504   41.954  103.360   15.009 21.14436 44.55804 
1 1 1   -7   13   45 o  121.727   23.008  210.151   67.376   0.0000   0.0000  210.151   67.376  ?   ?   121.727   23.008 0.000000 23.00792 
1 1 1   -7   13   46 o  129.910   13.506  221.750   43.175  239.706  186.991  220.739   44.375  111.599   44.528  129.398   13.953 -17.79948 46.66302 
1 1 1   -7   13   47 o  128.940   13.459  219.542   42.698  162.135  199.317  222.303   43.713   97.860   42.830  129.623   13.713 -31.76274 44.97189 
1 1 1   -7   14    1 o  1015.53   30.967 13118.06  785.308 12682.26  1109.99 13554.81  1111.20  988.485   44.967  1023.18   43.490 -34.69666 62.55749 
1 1 1   -7   14    2 o  299.108   11.276  1119.70   84.225  1151.72  118.843  1087.38  119.382  302.608   15.782  293.934   16.329 8.673798 22.70869 
1 1 1   -7   14    3 o  292.819   11.017  1072.89   80.558  1037.00  113.529  1109.29  114.328  287.112   15.896  297.036   15.467 -9.924591 22.17910 
1 1 1   -7   14    4 o  338.748   12.274  1436.46  103.828  1503.52  146.674  1369.11  146.996  346.157   16.968  329.751   17.918 16.40594 24.67753 
1 1 1   -7   14    5 o  485.357   15.891  2953.73  192.607  3012.32  272.209  2894.98  272.565  489.157   22.285  479.449   22.766 9.708435 31.85702 
1 1 1   -7   14    6 o  324.738   11.892  1319.74   96.436  1280.89  135.945  1359.09  136.822  319.076   17.124  328.754   16.721 -9.679077 23.93394 
1 1 1   -7   14    7 o  363.592   12.864  1655.02  116.804  1831.29  165.193  1478.79  165.178  382.053   17.315  342.574   19.388 39.47885 25.99407 
1 1 1   -7   14    8 o  604.553   27.146  4616.91  409.823  4600.39  579.688  4633.42  579.466  598.623   38.991  600.847   38.828 -2.224243 55.02649 
1 1 1   -7   14    9 o  602.764   39.087  4663.99  585.165  4663.99  585.165   0.0000   0.0000  602.764   39.087  ?   ?  0.000000 39.08667 
1 1 1   -7   14   10 o  304.779   16.147  1167.83  122.451  1179.41  173.575  1156.35  172.773  305.233   22.940  302.195   23.069 3.037872 32.53344 
1 1 1   -7   14   11 o  327.103   11.837  1338.93   96.689  1294.57  136.156  1384.05  137.328  320.808   17.057  332.216   16.553 -11.40784 23.76887 
1 1 1   -7   14   12 o  596.705   18.900  4471.32  281.626  4518.28  398.128  4424.28  398.430  598.138   26.655  591.806   26.960 6.332275 37.91194 
1 1 1   -7   14   13 o  222.573   9.8579  619.526   54.791  600.517   77.010  639.011   77.970  218.489   14.192  225.442   13.918 -6.953110 19.87726 
1 1 1   -7   14   14 o  224.750   9.8866  631.739   55.488  621.333   77.972  642.416   78.981  222.256   14.122  226.017   14.063 -3.761703 19.93001 
1 1 1   -7   14   15 o  408.421   13.969  2089.94  142.469  2113.56  201.271  2066.22  201.694  410.031   19.657  405.375   19.924 4.656158 27.98883 
1 1 1   -7   14   16 o  463.309   15.285  2691.88  176.848  2666.59  249.615  2717.37  250.590  460.107   21.725  464.490   21.604 -4.382813 30.63852 
1 1 1   -7   14   17 o  259.109   10.575  840.148   68.426  796.056   96.324  885.064   97.219  251.436   15.416  265.262   14.735 -13.82530 21.32479 
1 1 1   -7   14   18 o  316.533   11.771  1254.74   93.040  1279.45  131.315  1229.82  131.844  318.750   16.554  312.423   16.963 6.327820 23.70195 
1 1 1   -7   14   19 o  409.792   13.974  2106.29  143.002  2078.64  202.051  2134.04  202.419  406.146   19.922  411.565   19.695 -5.419403 28.01397 
1 1 1   -7   14   20 o  410.792   14.048  2117.57  144.105  2103.02  203.528  2132.20  204.063  408.340   19.960  411.181   19.874 -2.841400 28.16648 
1 1 1   -7   14   21 o  352.391   12.877  1557.67  113.318  1592.28  159.993  1522.83  160.520  355.037   18.106  347.081   18.588 7.956696 25.94858 
1 1 1   -7   14   22 o  270.315   10.264  915.315   69.286  901.240   97.443  929.708   98.536  267.387   14.649  271.601   14.582 -4.214050 20.66929 
1 1 1   -7   14   23 o  137.031   13.472  238.133   45.503  235.314   69.839  240.212   59.981  134.633   21.496  136.814   17.993 -2.181915 28.03227 
1 1 1   -7   14   24 o  254.398   15.373  818.108   97.203  732.971  140.315  896.665  134.783  238.645   23.865  265.144   20.516 -26.49884 31.47150 
1 1 1   -7   14   25 o  457.743   22.041  2667.95  251.949  2511.14  357.970  2821.89  354.671  437.784   32.987  465.664   30.672 -27.88037 45.04315 
1 1 1   -7   14   26 o  179.073   8.5306  401.660   38.147  355.125   53.183  450.975   54.747  167.570   12.806  189.138   11.648 -21.56793 17.31119 
1 1 1   -7   14   27 o  335.328   11.751  1412.87   98.402  1380.22  139.103  1445.57  139.220  329.898   16.942  338.158   16.487 -8.260254 23.64011 
1 1 1   -7   14   28 o  215.595   12.615  586.706   67.621  428.622  120.917  658.644   81.568  180.142   27.772  228.114   14.393 -47.97263 31.28017 
1 1 1   -7   14   29 o  329.552   14.708  1370.41  121.037  1299.13  213.534  1404.16  146.919  315.773   27.350  332.334   17.768 -16.56104 32.61417 
1 1 1   -7   14   30 o   85.770   20.922   97.528   44.413  118.116   68.334   82.470   58.439   94.406   27.384   80.551   25.731 13.85483 37.57629 
1 1 1   -7   14   31 o  387.870   15.956  1902.91  154.551  1947.60  273.365  1881.92  187.370  386.041   28.560  383.998   19.605 2.043396 34.64119 
1 1 1   -7   14   32 o  348.755   15.291  1537.23  133.170  1303.78  236.446  1645.69  161.162  314.322   30.508  360.035   17.925 -45.71359 35.38425 
1 1 1   -7   14   33 o  293.498   16.674  1095.00  121.702   0.0000   0.0000  1095.00  121.702  ?   ?   293.498   16.674 0.000000 16.67388 
1 1 1   -7   14   34 o  181.029   22.204  426.170   98.270   0.0000   0.0000  426.170   98.270  ?   ?   181.029   22.204 0.000000 22.20352 
1 1 1   -7   14   35 o  132.399   13.023  223.114   42.500  286.126  103.811  210.426   46.583  145.351   29.606  128.173   14.828 17.17783 33.11158 
1 1 1   -7   14   36 o  208.898   12.491  552.147   64.863  626.431  137.832  531.017   73.512  218.122   25.805  204.379   14.498 13.74361 29.59843 
1 1 1   -7   14   37 o  340.346   14.136  1466.62  120.143  1862.97  230.077  1318.03  140.875  377.676   24.528  320.956   17.644 56.71991 30.21504 
1 1 1   -7   14   38 o  260.565   13.311  861.979   86.323  908.624  176.639  847.344   98.942  260.717   27.548  257.601   15.452 3.116364 31.58608 
1 1 1   -7   14   39 o  109.448   13.753  154.481   36.759  303.218  117.436  138.326   38.703  146.100   32.971  103.023   15.526 43.07706 36.44392 
1 1 1   -7   14   40 o  123.115   17.257  198.849   51.598   92.684  126.081  220.206   56.550   92.907   36.723  129.411   17.985 -36.50447 40.89026 
1 1 1   -7   14   41 o  150.799   12.804  291.904   47.760  330.525  136.657  286.531   50.975  147.447   37.135  149.051   13.854 -1.604675 39.63538 
1 1 1   -7   14   42 f  105.278   14.356  145.029   36.758  220.189  137.250  139.222   38.152  118.188   39.543  102.789   15.332 15.39893 42.41113 
1 1 1   -7   14   43 o  124.600   14.003  202.554   42.815  117.176  148.012  210.350   44.727   96.275   39.186  126.858   14.372 -30.58358 41.73824 
1 1 1   -7   14   44 o  100.075   14.364  132.184   34.866  101.355  149.498  133.957   35.855   92.615   38.698  100.632   14.702 -8.017609 41.39660 
1 1 1   -7   14   45 o  180.968   12.857  424.742   57.724  610.382  186.900  405.167   60.691  189.564   40.699  176.173   13.909 13.39078 43.00953 
1 1 1   -7   14   46 o   90.791   25.008  121.866   58.504   0.0000   0.0000  121.866   58.504  ?   ?    90.791   25.008 0.000000 25.00755 
1 1 1   -7   14   47 o  109.610   13.708  159.393   36.701  437.635  199.328  149.630   37.339  141.066   47.651  105.786   14.517 35.27991 49.81356 
1 1 1   -7   15    1 o   90.771   15.201  106.206   33.239  113.140   46.212   98.775   47.843   92.947   20.464   86.786   22.036 6.160530 30.07239 
1 1 1   -7   15    2 f  297.479   11.321  1108.07   84.098  1153.64  118.741  1062.21  119.126  302.727   15.762  290.335   16.499 12.39154 22.81760 
1 1 1   -7   15    3 o  233.546   9.8867  682.426   57.660  667.125   81.034  698.118   82.063  230.236   14.163  235.562   14.014 -5.325256 19.92420 
1 1 1   -7   15    4 o  261.809   10.497  857.721   68.628  864.121   96.631  851.207   97.483  262.085   14.825  260.079   15.074 2.005371 21.14310 
1 1 1   -7   15    5 o  421.510   14.095  2226.86  148.360  2167.55  209.506  2286.53  210.121  415.025   20.215  426.341   19.736 -11.31577 28.25167 
1 1 1   -7   15    6 o  183.382   9.2423  421.622   42.188  406.512   58.845  437.603   60.517  179.664   13.208  186.459   13.080 -6.794586 18.58878 
1 1 1   -7   15    7 o  551.539   17.710  3819.93  243.923  3955.99  344.919  3683.81  345.001  559.776   24.675  539.952   25.587 19.82397 35.54602 
1 1 1   -7   15    8 o  164.855   10.683  341.446   43.741  239.795   74.621  394.657   53.989  136.167   22.748  177.124   12.282 -40.95784 25.85166 
1 1 1   -7   15    9 o  257.241   11.942  828.334   76.711  855.067   94.073  775.281  132.525  260.802   14.502  247.222   21.685 13.58005 26.08759 
1 1 1   -7   15   10 o  489.647   15.742  3006.79  192.486  2923.30  271.615  3091.02  272.822  481.682   22.581  495.410   22.053 -13.72836 31.56304 
1 1 1   -7   15   11 o  522.480   23.928  3443.50  312.196  3470.14  441.755  3416.92  441.268  520.711   34.162  516.597   34.403 4.114502 48.48303 
1 1 1   -7   15   12 o  471.624   21.994  2801.73  259.030  2691.79  366.368  2911.61  366.279  458.939   32.171  477.823   30.862 -18.88391 44.58065 
1 1 1   -7   15   13 f  631.500   28.318  5053.82  446.565  4952.48  631.681  5155.07  631.394  618.877   41.107  631.915   40.221 -13.03735 57.51154 
1 1 1   -7   15   14 o  691.274   24.908  6038.09  429.971  6197.84  527.109  5720.42  743.310  698.406   30.223  662.549   45.196 35.85663 54.37039 
1 1 1   -7   15   15 o  451.962   14.964  2562.03  168.890  2506.31  238.379  2618.20  239.317  445.970   21.405  455.890   21.021 -9.919830 30.00111 
1 1 1   -7   15   16 o  290.284   11.315  1054.99   82.020  1068.92  115.598  1040.87  116.394  291.376   15.948  287.464   16.281 3.911194 22.79045 
1 1 1   -7   15   17 o  197.600   9.7660  488.570   48.190  510.541   67.196  465.305   69.147  201.357   13.441  192.047   14.526 9.309875 19.79018 
1 1 1   -7   15   18 o  258.966   10.803  839.707   69.863  889.224   98.467  789.511   99.140  265.745   14.898  250.194   15.951 15.55104 21.82634 
1 1 1   -7   15   19 o  413.332   14.254  2144.42  147.129  2151.61  207.767  2137.20  208.379  412.942   20.148  411.529   20.277 1.412750 28.58509 
1 1 1   -7   15   20 o  224.663   9.6372  631.857   54.067  618.625   75.801  645.560   77.141  221.576   13.768  226.374   13.711 -4.798248 19.43010 
1 1 1   -7   15   21 f  240.015   10.226  721.594   61.291  712.638   86.238  730.735   87.125  237.687   14.600  240.702   14.563 -3.015808 20.62150 
1 1 1   -7   15   22 o  537.447   24.841  3681.60  333.391  3662.40  472.801  3700.58  470.182  529.089   35.999  532.124   35.589 -3.034363 50.62099 
1 1 1   -7   15   23 o  328.475   17.178  1365.41  140.411  1376.40  200.837  1354.90  196.382  327.477   24.742  325.025   24.373 2.452637 34.73023 
1 1 1   -7   15   24 o  380.798   19.206  1841.67  182.041  1749.50  259.208  1931.37  255.718  367.425   28.473  387.019   26.621 -19.59445 38.97952 
1 1 1   -7   15   25 o  335.900   18.033  1432.33  150.706  1193.59  214.937  1663.20  211.368  302.638   28.787  359.967   23.645 -57.32928 37.25342 
1 1 1   -7   15   26 o  115.132   10.165  167.557   28.926  202.963   40.459  130.538   41.370  126.360   13.008  100.232   17.145 26.12852 21.52075 
1 1 1   -7   15   27 o  106.654   9.8948  143.891   26.053  149.040   35.881  138.149   37.891  107.954   13.613  103.584   15.092 4.369766 20.32401 
1 1 1   -7   15   28 o  368.973   13.692  1715.35  126.153  1793.83  178.501  1637.02  178.314  375.255   19.112  358.088   20.021 17.16702 27.67861 
1 1 1   -7   15   29 o  148.684   12.227  279.920   44.996  195.660   84.597  313.161   53.135  120.459   28.558  157.059   13.685 -36.60013 31.66728 
1 1 1   -7   15   30 o  122.801   13.003  191.979   39.267  125.360   79.344  213.587   45.189   97.571   29.814  129.370   14.222 -31.79954 33.03231 
1 1 1   -7   15   31 o  230.632   13.379  672.486   76.725  478.002  139.433  756.948   91.887  189.083   30.573  244.322   15.135 -55.23831 34.11452 
1 1 1   -7   15   32 o  404.293   17.367  2073.45  175.333  1617.85  307.432  2293.07  213.450  346.767   36.029  424.009   20.159 -77.24164 41.28492 
1 1 1   -7   15   33 o  105.501   31.304  149.200   88.421  149.200   88.421   0.0000   0.0000  105.501   31.304  ?   ?  0.000000 31.30386 
1 1 1   -7   15   34 o  191.652   22.510  477.598  105.680   0.0000   0.0000  477.598  105.680  ?   ?   191.652   22.510 0.000000 22.51022 
1 1 1   -7   15   35 o  183.581   22.774  439.705  102.162   0.0000   0.0000  439.705  102.162  ?   ?   183.581   22.774 0.000000 22.77399 
1 1 1   -7   15   36 o  171.276   12.433  371.796   52.813  500.525  121.214  341.632   58.676  194.738   25.542  163.696   14.504 31.04271 29.37269 
1 1 1   -7   15   37 o  414.801   15.896  2187.04  164.653  2750.24  303.028  1951.11  196.132  457.222   26.656  389.171   20.252 68.05112 33.47630 
1 1 1   -7   15   38 o  203.895   12.075  527.046   61.206  850.985  145.188  457.035   67.497  254.665   23.081  189.204   14.394 65.46053 27.20142 
1 1 1   -7   15   39 o  179.848   13.315  412.810   59.375  414.874  142.269  412.375   65.337  170.508   34.596  179.326   14.720 -8.818054 37.59706 
1 1 1   -7   15   40 o   85.300   15.963   96.209   32.752  115.301  118.412   94.628   34.081   96.351   36.236   84.373   16.766 11.97780 39.92716 
1 1 1   -7   15   41 o   76.379   18.910   79.089   35.876   5.3451  123.354   85.903   37.496   76.409   33.562   79.568   19.111 -3.158714 38.62140 
1 1 1   -7   15   42 o  187.004   12.848  449.432   59.635  522.582  157.255  437.145   64.449  186.373   35.076  183.867   14.145 2.505081 37.82066 
1 1 1   -7   15   43 o  149.260   13.553  288.964   49.966  143.726  155.051  305.795   52.782  101.473   40.528  153.418   13.929 -51.94556 42.85482 
1 1 1   -7   15   44 o  167.856   13.483  365.832   56.040  298.052  169.885  374.109   59.363  128.948   43.989  169.425   14.161 -40.47691 46.21227 
1 1 1   -7   15   45 o  164.568   13.353  352.530   54.403  404.377  185.967  347.677   56.892  145.956   45.818  163.040   14.113 -17.08350 47.94210 
1 1 1   -7   15   46 f  154.817   13.399  313.551   51.289  161.070  194.649  324.927   53.168  101.076   43.274  157.482   13.655 -56.40564 45.37719 
1 1 1   -7   15   47 o   88.209   25.188  116.907   58.233   0.0000   0.0000  116.907   58.233  ?   ?    88.209   25.188 0.000000 25.18828 
1 1 1   -7   16    1 o  251.938   8.9881  794.392   56.547  696.634   79.699  893.489   80.243  235.179   13.629  266.940   12.038 -31.76149 18.18408 
1 1 1   -7   16    2 o  556.835   17.564  3904.11  244.229  3849.67  345.208  3958.66  345.578  550.542   25.110  558.403   24.783 -7.860962 35.27989 
1 1 1   -7   16    3 o  490.077   22.837  3039.02  279.487  3116.65  395.112  2961.28  395.396  492.067   32.335  479.185   33.249 12.88208 46.37904 
1 1 1   -7   16    4 o  203.340   9.3019  517.343   47.233  444.169   65.930  594.500   67.701  187.624   14.176  217.434   12.521 -29.80949 18.91430 
1 1 1   -7   16    5 o  257.757   10.403  831.634   66.958  826.497   94.247  836.869   95.144  256.210   14.794  257.811   14.841 -1.600677 20.95497 
1 1 1   -7   16    6 o  216.457   9.6556  586.231   52.192  545.999   72.954  628.407   74.697  208.178   14.117  223.490   13.447 -15.31165 19.49628 
1 1 1   -7   16    7 o  333.332   17.572  1400.43  145.754   0.0000   0.0000  1400.43  145.754  ?   ?   333.332   17.572 0.000000 17.57237 
1 1 1   -7   16    8 o  777.985   34.530  7749.00  670.849  7749.00  670.849   0.0000   0.0000  777.985   34.530  ?   ?  0.000000 34.53046 
1 1 1   -7   16    9 o  281.267   10.659  990.135   74.868  890.398  104.889  1093.73  106.899  265.873   15.870  295.317   14.496 -29.44321 21.49397 
1 1 1   -7   16   10 o  518.543   16.420  3376.28  212.620  3186.45  300.005  3567.85  301.380  502.172   23.924  531.691   22.699 -29.51923 32.97840 
1 1 1   -7   16   11 o  525.261   16.592  3464.85  217.635  3317.76  307.199  3613.06  308.371  512.376   24.009  534.936   23.085 -22.55945 33.30679 
1 1 1   -7   16   12 o  198.040   9.4666  490.633   46.816  486.514   65.369  494.970   67.080  196.568   13.397  198.247   13.633 -1.679001 19.11371 
1 1 1   -7   16   13 o  528.204   16.919  3505.34  223.160  3438.57  315.072  3572.55  316.121  521.459   24.196  531.627   23.812 -10.16785 33.94766 
1 1 1   -7   16   14 o  632.328   28.396  5082.91  448.388  4837.03  633.953  5329.04  634.281  609.213   41.927  640.862   39.831 -31.64990 57.83026 
1 1 1   -7   16   15 o  144.403   13.178  263.561   46.996  233.609   68.166  290.697   64.881  134.546   20.972  151.051   17.526 -16.50508 27.33126 
1 1 1   -7   16   16 o  319.892   16.854  1290.07  134.162  1179.02  190.272  1399.87  189.200  303.921   25.300  331.941   22.966 -28.02020 34.16947 
1 1 1   -7   16   17 o  362.043   18.298  1654.84  164.891  1439.84  233.524  1868.62  232.860  335.057   28.172  383.165   24.464 -48.10751 37.31129 
1 1 1   -7   16   18 o  222.979   14.098  626.630   78.098  647.413  112.955  607.595  108.100  225.562   20.270  218.508   20.034 7.053543 28.49974 
1 1 1   -7   16   19 o  122.466   13.437  190.480   40.417  193.198   60.681  188.313   54.186  122.009   20.653  120.846   18.548 1.163086 27.75959 
1 1 1   -7   16   20 o  238.267   14.583  716.226   86.353  671.132  123.809  758.943  120.500  229.113   21.907  244.233   19.931 -15.11972 29.61692 
1 1 1   -7   16   21 o  188.296   13.528  447.720   63.188  441.109   92.379  453.533   86.620  185.605   20.260  188.583   18.637 -2.978806 27.52878 
1 1 1   -7   16   22 o  288.221   16.082  1050.32  115.285  997.770  165.219  1100.19  160.941  278.773   23.966  293.403   22.129 -14.62946 32.62012 
1 1 1   -7   16   23 o  439.056   21.207  2450.12  232.518  2387.03  330.801  2511.73  326.894  428.018   31.164  439.802   29.943 -11.78442 43.21730 
1 1 1   -7   16   24 o  207.752   14.463  546.275   74.565  431.200  108.554  649.074  102.600  182.012   24.506  225.667   18.366 -43.65509 30.62458 
1 1 1   -7   16   25 o  287.094   11.258  1035.02   80.713  1069.45  113.801  1000.16  114.492  290.632   15.739  280.864   16.395 9.768555 22.72709 
1 1 1   -7   16   26 o  150.926   9.5058  286.738   35.643  270.749   49.656  303.732   51.193  145.972   13.786  154.754   13.379 -8.781601 19.21010 
1 1 1   -7   16   27 o  262.995   11.123  868.796   73.051  897.189  103.057  840.124  103.563  266.056   15.579  257.269   16.203 8.786438 22.47780 
1 1 1   -7   16   28 o  421.665   15.050  2245.11  158.471  2290.31  223.888  2199.73  224.336  423.580   21.166  414.338   21.758 9.242432 30.35485 
1 1 1   -7   16   29 o  300.196   11.877  1133.30   89.038  1116.97  125.762  1149.72  126.075  296.432   17.061  300.826   16.851 -4.394470 23.97975 
1 1 1   -7   16   30 f  415.707   17.022  2190.16  176.702  1859.02  308.051  2352.55  215.721  374.007   33.333  429.586   20.109 -55.57950 38.92851 
1 1 1   -7   16   31 o  279.839   13.721  987.464   95.883  980.472  172.457  990.592  115.356  274.531   25.445  279.170   16.622 -4.638947 30.39332 
1 1 1   -7   16   32 o  166.438   15.196  352.970   62.461   0.0000   0.0000  352.970   62.461  ?   ?   166.438   15.196 0.000000 15.19582 
1 1 1   -7   16   33 o  115.480   13.760  170.555   38.900  194.335   89.239  164.976   43.223  119.558   29.952  113.138   15.724 6.419617 33.82868 
1 1 1   -7   16   34 o  127.745   13.672  208.215   42.937  133.176   96.981  226.509   47.886  101.271   33.213  133.096   14.650 -31.82493 36.30081 
1 1 1   -7   16   35 o  128.042   26.026  220.027   80.382   0.0000   0.0000  220.027   80.382  ?   ?   128.042   26.026 0.000000 26.02636 
1 1 1   -7   16   36 o  195.722   17.783  491.950   85.966  416.630  134.096  544.502  112.011  174.688   31.916  204.432   22.303 -29.74373 38.93663 
1 1 1   -7   16   37 o  303.781   13.575  1167.73  102.979  1443.46  199.851  1068.06  120.160  332.179   24.260  289.088   16.716 43.09079 29.46181 
1 1 1   -7   16   38 o  110.027   14.388  156.236   38.586  256.936  114.362  143.300   40.989  134.591   34.012  104.846   16.176 29.74464 37.66254 
1 1 1   -7   16   39 o  323.116   14.870  1331.60  119.982  1336.12  229.746  1329.90  140.692  312.881   29.763  321.116   17.612 -8.235168 34.58408 
1 1 1   -7   16   40 o  141.620   13.241  257.465   46.284  239.727  131.009  259.994   49.474  126.509   38.233  142.052   14.135 -15.54284 40.76250 
1 1 1   -7   16   41 f   79.412   16.917   84.551   32.520  208.033  125.706   75.694   33.666  117.228   37.770   74.818   18.195 42.40950 41.92363 
1 1 1   -7   16   42 o  215.605   17.510  610.795   93.458  524.164  174.524  645.627  110.662  182.405   39.462  219.799   20.394 -37.39459 44.41996 
1 1 1   -7   16   43 o  104.853   14.800  144.846   37.674  144.748  141.832  144.854   39.078  100.644   39.196  104.629   15.419 -3.985336 42.12000 
1 1 1   -7   16   44 o  198.727   13.156  511.053   64.918  628.748  184.217  494.365   69.368  197.005   38.826  194.790   14.362 2.214340 41.39734 
1 1 1   -7   16   45 o  153.111   13.440  305.567   50.866  385.285  180.487  298.689   53.015  143.166   45.166  150.985   14.229 -7.819321 47.35441 
1 1 1   -7   16   46 o  193.950   13.480  491.152   64.884  744.678  209.146  464.153   68.251  205.191   42.225  187.769   14.672 17.42278 44.70160 
1 1 1   -7   16   47 o   70.678   17.525   69.710   30.778  290.004  203.269   64.540   31.137  115.733   46.340   67.889   18.054 47.84401 49.73249 
1 1 1   -7   17    1 o  185.385   8.8402  430.332   40.925  373.339   57.788  487.675   57.966  171.817   13.579  196.776   11.852 -24.95953 18.02377 
1 1 1   -7   17    2 o  440.180   14.737  2437.06  161.986  2453.15  228.970  2420.95  229.197  440.025   20.838  437.079   20.999 2.946289 29.58328 
1 1 1   -7   17    3 o  232.059   9.6268  674.362   55.787  602.461   78.316  748.429   79.486  218.472   14.436  243.819   13.103 -25.34781 19.49603 
1 1 1   -7   17    4 o  469.898   15.456  2776.69  181.363  2703.22  256.153  2850.53  256.819  461.895   22.208  474.477   21.675 -12.58237 31.03217 
1 1 1   -7   17    5 o  179.986   13.504  408.835   60.254  509.658   85.177  307.845   85.248  200.477   17.180  154.293   22.813 46.18410 28.55847 
1 1 1   -7   17    6 o  225.418   14.295  640.512   80.053   0.0000   0.0000  640.512   80.053  ?   ?   225.418   14.295 0.000000 14.29524 
1 1 1   -7   17    7 o  126.988   10.975  203.483   34.461  192.379   40.273  233.842   66.593  123.131   13.310  134.635   20.450 -11.50389 24.39979 
1 1 1   -7   17    8 o  245.949   10.490  757.427   64.430  759.232   90.430  755.565   91.822  245.456   14.823  244.820   15.093 0.6366272 21.15440 
1 1 1   -7   17    9 o  136.621   9.5088  234.713   32.239  221.651   44.437  249.229   46.843  132.230   13.654  140.315   13.537 -8.084564 19.22691 
1 1 1   -7   17   10 o  208.822   9.1837  545.622   47.890  485.544   66.587  609.995   68.926  196.268   13.671  220.237   12.585 -23.96889 18.58180 
1 1 1   -7   17   11 o  236.253   10.088  698.687   59.514  686.555   83.403  711.274   84.951  233.450   14.377  237.630   14.384 -4.179443 20.33643 
1 1 1   -7   17   12 o  122.703   9.4468  189.523   28.724  150.499   39.317  234.194   42.065  108.486   14.907  136.117   12.516 -27.63073 19.46412 
1 1 1   -7   17   13 o  426.169   14.278  2279.60  151.951  2278.13  214.372  2281.09  215.414  424.921   20.203  425.178   20.289 -0.2579956 28.63177 
1 1 1   -7   17   14 o  632.846   19.866  5052.62  313.949  5042.46  443.599  5062.82  444.384  628.906   28.246  630.178   28.239 -1.272034 39.94060 
1 1 1   -7   17   15 o  199.019   9.8301  495.854   48.854  507.044   68.318  484.142   69.890  200.540   13.725  195.842   14.392 4.698730 19.88686 
1 1 1   -7   17   16 o  401.765   13.842  2026.38  138.878  1996.42  195.851  2056.69  196.962  397.677   19.722  403.676   19.539 -5.999329 27.76168 
1 1 1   -7   17   17 o  268.185   10.954  901.236   73.357  926.534  103.158  875.357  104.338  271.042   15.304  263.312   15.943 7.729828 22.09944 
1 1 1   -7   17   18 o  453.527   15.072  2586.53  170.697  2474.22  240.758  2700.05  242.053  441.859   21.820  461.838   20.988 -19.97922 30.27520 
1 1 1   -7   17   19 o  147.540   13.326  275.598   48.567  236.720   71.010  309.770   66.574  134.991   21.809  155.783   17.411 -20.79227 27.90624 
1 1 1   -7   17   20 o  184.800   13.144  431.165   60.261  503.373   88.821  369.580   82.028  198.836   18.086  169.778   19.715 29.05823 26.75398 
1 1 1   -7   17   21 o  132.992   13.229  224.465   43.353  237.955   65.206  213.778   58.038  135.673   19.832  128.729   18.593 6.944412 27.18468 
1 1 1   -7   17   22 o  320.398   14.299  1292.42  114.408  1518.99  198.626  1179.93  139.956  344.292   23.238  304.761   18.477 39.53152 29.68897 
1 1 1   -7   17   23 o  109.584   10.325  151.948   27.921  154.167   38.689  149.536   40.336  109.698   14.477  107.827   15.419 1.870865 21.15034 
1 1 1   -7   17   24 o  197.880   9.3917  490.871   46.408  461.504   64.748  521.897   66.552  190.967   13.668  203.226   13.185 -12.25940 18.99086 
1 1 1   -7   17   25 o  155.266   9.9623  303.649   38.423  306.950   53.727  300.194   54.970  155.459   13.990  153.629   14.500 1.830017 20.14833 
1 1 1   -7   17   26 o  156.879   9.5039  309.765   37.056  270.753   51.440  351.851   53.428  145.849   14.308  166.697   12.936 -20.84810 19.28876 
1 1 1   -7   17   27 o  337.470   13.080  1434.19  110.231  1504.30  155.667  1363.68  156.115  343.797   18.197  326.932   19.207 16.86493 26.45767 
1 1 1   -7   17   28 o  458.033   15.880  2653.37  181.636  2672.72  256.704  2633.97  257.039  456.768   22.505  452.768   22.807 3.999878 32.04145 
1 1 1   -7   17   29 o  205.322   10.502  530.762   53.666  533.009   75.352  528.449   76.451  204.923   14.825  203.973   15.117 0.9501495 21.17297 
1 1 1   -7   17   30 o  281.326   11.091  994.621   77.917  993.879  110.101  995.365  110.283  279.860   15.819  280.066   15.834 -0.2058411 22.38179 
1 1 1   -7   17   31 o  455.185   18.246  2633.28  207.398  2695.23  365.190  2603.79  251.977  450.890   32.655  450.629   22.392 0.2607727 39.59476 
1 1 1   -7   17   32 o  114.571   29.265  177.955   84.029  177.955   84.029   0.0000   0.0000  114.571   29.265  ?   ?  0.000000 29.26484 
1 1 1   -7   17   33 o  341.358   15.743  1475.35  134.200  1288.73  238.029  1562.31  162.486  311.616   31.000  349.826   18.667 -38.21021 36.18673 
1 1 1   -7   17   34 o  234.301   13.537  695.055   78.869  645.842  148.971  714.221   92.966  221.067   27.586  236.932   15.803 -15.86450 31.79168 
1 1 1   -7   17   35 o  115.488   15.894  172.152   44.623   0.0000   0.0000  172.152   44.623  ?   ?   115.488   15.894 0.000000 15.89389 
1 1 1   -7   17   36 o  134.255   26.541  242.946   85.826   0.0000   0.0000  242.946   85.826  ?   ?   134.255   26.541 0.000000 26.54061 
1 1 1   -7   17   37 o  251.628   14.158  804.913   88.605  694.653  170.742  845.549  103.654  226.171   31.050  257.215   16.221 -31.04417 35.03194 
1 1 1   -7   17   38 o  126.218   14.382  204.934   44.520  211.693  114.980  203.742   48.287  121.905   35.568  125.482   15.757 -3.577553 38.90194 
1 1 1   -7   17   39 o  293.169   18.355  1113.13  133.701  1274.89  204.698  992.769  176.570  307.678   26.913  271.695   26.356 35.98242 37.66877 
1 1 1   -7   17   40 o  221.202   13.643  626.317   74.996  605.458  164.923  631.755   84.206  205.805   33.222  221.461   15.320 -15.65585 36.58430 
1 1 1   -7   17   41 o   84.098   16.515   94.409   33.446   6.1328  128.402  100.834   34.641   77.586   34.156   86.969   16.555 -9.383095 37.95678 
1 1 1   -7   17   42 o   71.326   17.811   69.113   31.628  285.108  136.151   56.793   32.517  133.750   38.612   64.900   18.909 68.84992 42.99379 
1 1 1   -7   17   43 o   70.159   19.750   67.568   36.066 -28.4143  141.544   74.233   37.297   74.586   34.074   73.374   19.867 1.212341 39.44314 
1 1 1   -7   17   44 o  159.617   13.398  330.905   52.908  427.113  167.531  320.246   55.762  157.676   41.851  156.531   14.428 1.145554 44.26853 
1 1 1   -7   17   45 o  113.878   14.917  171.753   41.401  234.011  169.619  167.809   42.692  114.433   43.294  112.224   15.661 2.209061 46.03969 
1 1 1   -7   17   46 o  171.227   13.700  383.850   58.087  469.129  199.078  375.915   60.729  152.419   47.334  168.951   14.536 -16.53244 49.51529 
1 1 1   -7   17   47 o   50.116   17.771   30.920   27.867 -122.1691  198.544   33.996   28.146   73.521   35.543   51.710   17.895 21.81073 39.79346 
1 1 1   -7   18    1 o  231.558   9.8119  672.411   56.737  588.690   80.162  756.448   80.313  215.534   14.987  244.826   13.185 -29.29170 19.96132 
1 1 1   -7   18    2 o  625.738   19.636  4968.47  306.834  4728.80  433.584  5208.90  434.274  604.975   28.700  635.929   27.347 -30.95386 39.64272 
1 1 1   -7   18    3 o  429.821   14.292  2325.31  153.404  2268.17  216.726  2382.68  217.167  422.714   20.531  433.412   20.065 -10.69827 28.70780 
1 1 1   -7   18    4 o  283.949   10.521  1010.84   74.602  906.341  104.992  1117.40  106.021  267.737   15.773  298.033   14.245 -30.29593 21.25382 
1 1 1   -7   18    5 f  277.110   10.760  962.703   74.461  897.328  104.765  1029.44  105.850  266.452   15.816  285.644   14.891 -19.19235 21.72289 
1 1 1   -7   18    6 o  439.803   14.822  2432.99  162.789  2467.37  230.053  2398.51  230.385  441.308   20.875  435.005   21.209 6.303467 29.75875 
1 1 1   -7   18    7 o  164.631   14.216  343.112   57.871  386.001   78.566  292.238   85.567  173.942   18.365  149.914   23.640 24.02782 29.93537 
1 1 1   -7   18    8 o   76.526   18.675   76.845   35.372   73.547   45.175   82.072   56.869   75.578   22.364   80.630   25.341 -5.051529 33.79806 
1 1 1   -7   18    9 o  460.502   15.428  2667.21  177.417  2759.22  250.656  2574.84  251.156  466.778   21.504  450.669   22.317 16.10852 30.99137 
1 1 1   -7   18   10 o  304.515   11.727  1162.66   89.172  1237.79  125.712  1086.57  126.510  313.214   16.127  293.157   17.358 20.05743 23.69398 
1 1 1   -7   18   11 o  110.305   9.5717  153.478   26.104  119.754   35.361  193.866   38.698   96.454   15.183  123.662   12.712 -27.20772 19.80198 
1 1 1   -7   18   12 o  288.688   11.069  1044.45   79.798  1014.40  112.001  1075.44  113.723  283.514   15.884  291.988   15.654 -8.474274 22.30082 
1 1 1   -7   18   13 f  524.245   16.901  3461.64  221.258  3425.61  312.363  3497.91  313.453  519.185   24.093  524.700   23.923 -5.514771 33.95228 
1 1 1   -7   18   14 o  535.787   16.886  3616.26  225.926  3481.71  318.769  3752.06  320.252  523.217   24.397  543.471   23.597 -20.25397 33.94225 
1 1 1   -7   18   15 o  335.394   12.316  1411.37  103.152  1427.95  145.293  1394.51  146.472  336.119   17.370  332.066   17.728 4.052765 24.81877 
1 1 1   -7   18   16 o  372.273   13.064  1740.19  121.449  1716.51  171.168  1764.20  172.348  368.193   18.678  373.783   18.464 -5.589935 26.26384 
1 1 1   -7   18   17 o   85.456   11.267   93.149   23.457   95.853   32.188   90.087   34.254   85.963   15.568   83.034   17.090 2.929092 23.11731 
1 1 1   -7   18   18 f  164.003   9.4090  338.011   38.373  323.487   52.978  354.041   55.656  159.890   13.392  167.314   13.434 -7.423752 18.96877 
1 1 1   -7   18   19 o  185.153   9.8347  430.819   45.308  417.247   63.224  445.149   64.964  181.588   14.052  187.611   13.966 -6.023468 19.81197 
1 1 1   -7   18   20 o  239.850   10.671  721.592   63.914  784.822   89.346  655.325   91.466  249.263   14.415  227.334   16.218 21.92882 21.69874 
1 1 1   -7   18   21 o  334.129   12.444  1403.13  103.828  1469.41  146.363  1336.00  147.313  340.478   17.271  324.324   18.264 16.15445 25.13639 
1 1 1   -7   18   22 o  150.936   10.001  286.958   37.483  325.306   52.208  246.161   53.848  160.265   13.161  138.768   15.822 21.49753 20.58051 
1 1 1   -7   18   23 o  326.865   12.385  1343.57  101.091  1413.54  142.512  1272.70  143.422  333.757   17.157  316.315   18.234 17.44168 25.03704 
1 1 1   -7   18   24 o  206.764   9.8973  536.328   51.103  524.352   71.404  548.904   73.169  203.467   14.141  208.194   14.158 -4.726944 20.01040 
1 1 1   -7   18   25 o  308.005   11.942  1192.92   91.851  1177.26  129.028  1209.00  130.785  304.411   17.042  308.499   17.043 -4.088165 24.10156 
1 1 1   -7   18   26 o  161.170   9.5139  326.950   38.121  354.825   53.223  297.586   54.626  167.396   12.830  152.905   14.479 14.49139 19.34545 
1 1 1   -7   18   27 o  404.810   14.654  2068.93  148.139  2142.40  209.447  1995.37  209.555  409.790   20.467  394.579   21.347 15.21140 29.57355 
1 1 1   -7   18   28 o  285.917   11.841  1028.28   84.543  1091.01  119.273  964.927  119.853  293.094   16.361  275.236   17.529 17.85794 23.97845 
1 1 1   -7   18   29 o  182.147   9.9590  417.677   45.128  353.090   62.760  486.820   64.936  166.455   15.269  196.084   13.341 -29.62947 20.27583 
1 1 1   -7   18   30 o  303.829   12.087  1161.72   91.704  1159.06  129.581  1164.38  129.798  301.784   17.266  302.481   17.255 -0.6970215 24.41051 
1 1 1   -7   18   31 o  143.406   10.287  259.576   36.594  245.680   51.021  274.297   52.515  138.643   14.975  146.675   14.529 -8.031418 20.86432 
1 1 1   -7   18   32 o   96.495   15.394  120.616   35.848  138.078   79.517  116.161   40.161  101.501   29.568   94.154   17.732 7.346703 34.47729 
1 1 1   -7   18   33 o  148.397   14.216  280.644   52.036  144.203  102.049  328.586   60.491  104.797   34.055  160.440   15.283 -55.64313 37.32756 
1 1 1   -7   18   34 o  468.521   18.931  2800.23  221.495  2866.70  389.731  2768.52  269.195  462.279   33.999  462.768   23.370 -0.4888611 41.25660 
1 1 1   -7   18   35 o  244.786   14.185  760.271   86.336  589.961  163.774  825.815  101.600  208.430   32.528  254.593   16.063 -46.16331 36.27789 
1 1 1   -7   18   36 o   88.175   29.365   99.444   75.704   0.0000   0.0000   99.444   75.704  ?   ?    88.175   29.365 0.000000 29.36516 
1 1 1   -7   18   37 o  264.356   18.052  898.693  118.456  906.744  176.646  892.114  159.680  260.637   27.558  260.035   24.895 0.6015625 37.13785 
1 1 1   -7   18   38 o  149.590   14.199  286.875   52.406  135.748  122.544  320.699   57.974  102.833   37.174  158.044   14.864 -55.21067 40.03547 
1 1 1   -7   18   39 o  327.521   15.962  1374.76  130.549  1324.60  243.751  1394.93  154.591  308.502   32.111  327.698   18.972 -19.19598 37.29671 
1 1 1   -7   18   40 o  113.584   15.248  168.245   42.158  276.764  123.906  154.038   44.832  136.199   35.917  107.981   17.203 28.21770 39.82422 
1 1 1   -7   18   41 o   96.360   16.095  122.949   37.363  110.282  124.714  124.198   39.162   94.446   36.763   96.612   16.845 -2.165833 40.43807 
1 1 1   -7   18   42 o   88.137   17.431  104.730   37.005  147.651  133.382  101.151   38.517  101.624   38.406   86.258   18.440 15.36621 42.60323 
1 1 1   -7   18   43 o  103.971   40.012  162.716  146.433  162.716  146.433   0.0000   0.0000  103.971   40.012  ?   ?  0.000000 40.01196 
1 1 1   -7   18   44 o  115.827   18.691  182.169   52.222  168.589  160.494  183.777   55.228  104.350   41.373  115.798   19.811 -11.44866 45.87149 
1 1 1   -7   18   45 o   99.243   15.854  132.054   37.969  208.189  169.860  128.050   38.955  109.644   42.841   97.380   16.615 12.26372 45.95024 
1 1 1   -7   18   46 o   73.124   18.461   74.613   33.715   55.510  182.809   75.285   34.303   87.596   39.501   73.395   18.671 14.20120 43.69120 
1 1 1   -7   18   47 o  110.505   15.339  164.167   41.188  281.282  205.321  159.256   42.042  114.055   46.253  108.485   15.999 5.569199 48.94175 
1 1 1   -7   19    1 o  214.655   9.5974  578.264   51.445  523.169   72.923  632.852   72.587  203.017   14.479  223.704   13.050 -20.68724 19.49240 
1 1 1   -7   19    2 o  315.901   16.499  1266.99  129.703  1050.16  183.312  1484.37  183.543  283.921   26.149  339.989   21.732 -56.06802 34.00056 
1 1 1   -7   19    3 o  526.688   17.037  3512.84  224.075  3351.05  316.622  3675.17  317.159  510.404   24.841  535.205   23.730 -24.80115 34.35448 
1 1 1   -7   19    4 o  120.302   9.0907  182.415   27.108  129.145   37.428  241.192   39.315  100.015   15.486  138.095   11.505 -38.08016 19.29263 
1 1 1   -7   19    5 o  193.702   13.815  474.717   66.386   0.0000   0.0000  474.717   66.386  ?   ?   193.702   13.815 0.000000 13.81487 
1 1 1   -7   19    6 o  316.003   16.615  1264.52  130.655  1264.52  130.655   0.0000   0.0000  316.003   16.615  ?   ?  0.000000 16.61540 
1 1 1   -7   19    7 o  380.442   13.198  1819.75  125.390  1788.62  176.811  1851.24  177.850  375.350   18.924  382.411   18.624 -7.060822 26.55155 
1 1 1   -7   19    8 o  251.327   10.488  792.029   65.823  804.528   92.297  779.091   93.901  252.368   14.709  248.232   15.222 4.136978 21.16742 
1 1 1   -7   19    9 o  330.460   17.483  1382.93  143.760  1465.69  202.178  1298.30  204.457  338.136   24.101  317.454   26.020 20.68253 35.46707 
1 1 1   -7   19   10 o  591.343   27.168  4485.52  401.183  4834.26  567.182  4136.33  567.536  605.516   37.697  557.187   41.079 48.32916 55.75396 
1 1 1   -7   19   11 o  315.501   11.758  1249.16   92.638  1245.68  130.185  1252.73  131.851  313.834   16.671  314.684   16.840 -0.8498230 23.69625 
1 1 1   -7   19   12 o   98.685   10.082  123.308   24.497  108.318   33.168  141.299   36.337   91.598   15.022  105.059   14.216 -13.46129 20.68170 
1 1 1   -7   19   13 o  136.708   9.3320  235.178   31.668  239.230   43.455  230.589   46.245  137.419   12.811  134.709   13.949 2.709946 18.93937 
1 1 1   -7   19   14 o  157.195   9.2410  310.574   36.115  279.446   49.477  346.076   52.838  148.500   13.489  165.481   12.888 -16.98091 18.65646 
1 1 1   -7   19   15 o  485.767   15.970  2974.93  193.721  2967.25  273.368  2982.69  274.563  482.785   22.675  484.023   22.716 -1.237885 32.09592 
1 1 1   -7   19   16 o  316.307   11.779  1256.00   93.039  1269.11  130.855  1242.60  132.312  316.690   16.604  313.261   16.977 3.428192 23.74719 
1 1 1   -7   19   17 o  292.067   11.324  1070.60   82.590  1082.35  116.046  1058.55  117.570  292.503   15.947  289.165   16.349 3.337646 22.83858 
1 1 1   -7   19   18 o  200.814   9.6212  505.460   48.247  467.670   67.025  546.101   69.506  192.239   14.059  207.922   13.459 -15.68304 19.46298 
1 1 1   -7   19   19 f  191.442   9.7880  460.704   46.637  470.938   64.477  449.475   67.538  192.992   13.463  188.336   14.471 4.655273 19.76528 
1 1 1   -7   19   20 o  441.311   15.059  2456.68  165.960  2498.28  234.135  2414.68  235.274  442.838   21.172  435.168   21.650 7.669739 30.28218 
1 1 1   -7   19   21 o  202.874   10.244  517.731   51.731  572.391   72.004  459.417   74.372  212.758   13.624  190.071   15.812 22.68645 20.87227 
1 1 1   -7   19   22 o  228.071   10.534  652.985   59.993  709.201   84.027  594.531   85.683  236.736   14.280  216.302   15.976 20.43405 21.42798 
1 1 1   -7   19   23 o  339.377   12.567  1449.48  106.506  1525.38  150.133  1372.58  151.115  346.923   17.330  328.254   18.511 18.66974 25.35685 
1 1 1   -7   19   24 o  242.607   10.537  739.083   63.836  780.428   89.410  696.093   91.172  248.268   14.484  234.138   15.684 14.13081 21.34915 
1 1 1   -7   19   25 o  300.386   12.069  1135.20   90.532  1298.58  127.737  970.318  128.327  320.368   15.967  275.645   18.755 44.72305 24.63075 
1 1 1   -7   19   26 f  351.019   13.104  1552.49  114.863  1595.15  161.897  1509.25  162.989  353.811   18.387  343.871   19.055 9.940247 26.47996 
1 1 1   -7   19   27 o  608.772   19.849  4725.66  301.742  4982.18  426.702  4469.07  426.754  619.092   27.601  584.958   29.215 34.13379 40.19073 
1 1 1   -7   19   28 o  240.501   11.324  727.248   68.010  748.182   95.604  705.800   96.768  242.632   15.866  235.444   16.564 7.188049 22.93708 
1 1 1   -7   19   29 o  174.337   10.355  383.052   44.880  387.654   63.003  378.310   63.946  174.597   14.584  172.373   15.005 2.223724 20.92482 
1 1 1   -7   19   30 o  163.805   11.302  338.974   45.947  367.950   72.723  319.724   59.277  169.387   17.442  158.310   15.180 11.07724 23.12291 
1 1 1   -7   19   31 o  269.734   17.189  927.184  115.175  927.184  115.175   0.0000   0.0000  269.734   17.189  ?   ?  0.000000 17.18856 
1 1 1   -7   19   32 o  169.294   10.654  361.611   44.812  344.303   62.612  379.789   64.166  164.227   15.449  172.646   15.033 -8.419449 21.55599 
1 1 1   -7   19   33 o  132.692   13.916  224.740   45.424  190.518   94.139  235.126   51.861  117.978   31.400  135.381   15.627 -17.40298 35.07379 
1 1 1   -7   19   34 o  239.119   14.318  725.577   85.100  607.458  156.442  775.219  101.418  212.784   30.297  246.532   16.570 -33.74854 34.53259 
1 1 1   -7   19   35 o  132.504   14.729  225.015   47.913  113.121  104.583  254.739   53.903   96.422   34.402  140.877   15.583 -44.45437 37.76658 
1 1 1   -7   19   36 o  135.836   28.508  252.000   93.620   0.0000   0.0000  252.000   93.620  ?   ?   135.836   28.508 0.000000 28.50833 
1 1 1   -7   19   37 o  146.149   27.515  291.002   96.736   0.0000   0.0000  291.002   96.736  ?   ?   146.149   27.515 0.000000 27.51529 
1 1 1   -7   19   38 o   99.429   16.211  129.509   38.863   50.268  103.750  142.443   41.915   80.638   32.813  104.256   16.661 -23.61792 36.80030 
1 1 1   -7   19   39 o  282.774   14.962  1025.28  105.278  975.550  200.870  1044.11  123.617  264.857   30.955  283.999   17.516 -19.14212 35.56674 
1 1 1   -7   19   40 o   53.039   18.693   32.907   30.788  143.593  113.033   24.037   31.998  101.515   35.813   49.569   18.792 51.94517 40.44386 
1 1 1   -7   19   41 o  167.164   13.900  360.813   57.499  375.665  144.669  358.027   62.660  155.867   37.602  165.944   15.293 -10.07617 40.59261 
1 1 1   -7   19   42 o  178.994   13.868  414.694   61.503  389.629  152.969  419.527   67.171  155.544   39.352  179.444   15.131 -23.89973 42.16080 
1 1 1   -7   19   43 o  100.422   16.985  135.444   41.076   93.198  141.278  139.345   42.930   90.929   37.774  101.665   17.544 -10.73643 41.64957 
1 1 1   -7   19   44 o   97.703   20.258  132.488   47.803 -55.0676  148.803  154.071   50.478   72.460   33.746  105.746   19.845 -33.28618 39.14870 
1 1 1   -7   19   45 o  104.519   19.101  150.447   48.018  313.478  169.556  136.231   50.067  129.302   43.947   98.435   21.008 30.86659 48.71041 
1 1 1   -7   19   46 o  105.813   17.145  152.356   43.753  276.404  180.824  144.642   45.093  118.171   44.703  102.486   18.291 15.68502 48.30035 
1 1 1   -7   19   47 o  173.082   22.107  425.793   93.368  585.010  221.722  391.473  102.940  162.196   49.885  161.954   26.360 0.2411194 56.42090 
1 1 1   -7   20    1 f  432.126   14.156  2362.34  152.762  2120.81  215.984  2604.12  216.094  405.543   21.403  451.251   19.177 -45.70859 28.73728 
1 1 1   -7   20    2 o  168.185   9.2005  356.092   38.495  370.403   54.884  342.235   54.006  170.867   12.959  164.135   13.290 6.732040 18.56272 
1 1 1   -7   20    3 f  458.961   15.082  2665.55  172.858  2534.70  244.256  2796.83  244.662  444.224   22.019  467.238   20.969 -23.01331 30.40596 
1 1 1   -7   20    4 o  360.481   26.223  1692.96  234.442   0.0000   0.0000  1692.96  234.442  ?   ?   360.481   26.223 0.000000 26.22338 
1 1 1   -7   20    5 o  145.167   10.756  266.174   38.716  242.579   45.222  330.935   74.919  138.117   13.275  160.180   19.107 -22.06291 23.26578 
1 1 1   -7   20    6 o  517.296   16.712  3388.89  215.883  3270.14  304.824  3508.39  305.787  504.268   24.207  522.800   23.422 -18.53156 33.68352 
1 1 1   -7   20    7 o  514.438   16.733  3349.81  214.959  3290.67  303.513  3409.33  304.486  506.254   24.008  515.510   23.653 -9.256165 33.70216 
1 1 1   -7   20    8 f  141.102   9.2766  250.674   32.505  241.290   44.941  260.967   47.070  137.827   13.220  143.372   13.298 -5.545059 18.75131 
1 1 1   -7   20    9 o  461.996   15.294  2693.76  176.448  2622.81  248.967  2765.36  250.109  453.293   21.994  465.671   21.508 -12.37793 30.76270 
1 1 1   -7   20   10 o  640.616   20.484  5221.22  327.686  5381.33  463.235  5060.85  463.602  644.551   28.780  624.302   29.737 20.24854 41.38356 
1 1 1   -7   20   11 o  262.992   12.418  869.518   81.556  910.254   98.646  781.538  144.972  268.306   14.780  246.008   23.900 22.29822 28.10096 
1 1 1   -7   20   12 f  282.692   15.382  1011.13  108.179  846.799  149.195  1193.31  157.087  256.291   23.576  305.603   20.706 -49.31137 31.37781 
1 1 1   -7   20   13 o  349.045   14.546  1535.41  126.783  1445.94  217.968  1581.16  155.862  334.281   26.324  353.432   17.660 -19.15079 31.69926 
1 1 1   -7   20   14 o  138.161   9.3061  240.326   31.920  225.854   43.567  257.098   46.902  133.331   13.261  142.322   13.353 -8.990936 18.81890 
1 1 1   -7   20   15 o  154.282   9.4481  299.502   36.225  281.711   49.719  319.635   52.889  149.001   13.509  158.797   13.464 -9.796265 19.07316 
1 1 1   -7   20   16 o   84.427   11.299   91.083   23.224   66.408   31.059  122.373   34.976   71.044   17.598   97.433   14.844 -26.38916 23.02266 
1 1 1   -7   20   17 f  181.253   9.6888  413.154   43.695  429.042   60.431  395.748   63.254  184.156   13.229  176.597   14.471 7.558609 19.60618 
1 1 1   -7   20   18 o  185.858   9.6871  434.403   44.805  435.371   62.052  433.349   64.761  185.449   13.492  184.892   14.133 0.5563965 19.53927 
1 1 1   -7   20   19 f  324.674   12.005  1325.49   97.329  1309.98  136.718  1341.43  138.590  321.174   17.108  325.008   17.137 -3.833710 24.21474 
1 1 1   -7   20   20 o  354.318   12.946  1580.70  114.544  1595.46  160.820  1565.51  163.186  354.064   18.251  350.548   18.709 3.516296 26.13690 
1 1 1   -7   20   21 o   94.480   11.022  113.644   25.515  101.722   34.371  128.280   38.082   88.332   16.178   99.535   15.853 -11.20268 22.65049 
1 1 1   -7   20   22 o  118.860   10.152  178.625   29.842  166.490   40.616  192.862   43.993  113.937   14.612  122.755   14.640 -8.817635 20.68438 
1 1 1   -7   20   23 o  452.166   15.584  2585.86  175.962  2745.48  248.395  2425.06  249.304  463.260   21.472  434.022   23.085 29.23889 31.52706 
1 1 1   -7   20   24 o  180.672   10.027  411.029   45.059  408.678   62.160  413.632   65.411  179.444   13.982  180.392   14.647 -0.9483643 20.24937 
1 1 1   -7   20   25 o  158.756   9.8751  317.573   38.955  285.647   53.561  353.427   56.760  149.714   14.508  166.833   13.747 -17.11856 19.98657 
1 1 1   -7   20   26 o  160.340   10.242  324.155   40.795  395.069   56.579  247.366   58.876  176.605   12.919  138.565   17.399 38.03963 21.67058 
1 1 1   -7   20   27 f  393.937   14.403  1960.14  141.685  2199.41  200.098  1719.54  200.650  415.402   19.290  365.536   22.085 49.86581 29.32317 
1 1 1   -7   20   28 o  227.488   11.003  650.562   62.507  714.825   87.757  584.385   89.054  237.345   14.882  214.019   16.798 23.32616 22.44180 
1 1 1   -7   20   29 o  259.249   13.581  850.214   87.616  944.190  155.322  806.355  106.109  269.964   23.267  251.527   16.993 18.43658 28.81173 
1 1 1   -7   20   30 o  164.348   13.216  342.769   53.780  429.299   62.588   98.612  105.134  183.936   13.725   93.455   34.333 90.48008 36.97433 
1 1 1   -7   20   31 o  283.604   11.786  1012.45   83.469  1107.68  118.010  917.115  118.076  295.201   16.069  267.998   17.744 27.20297 23.93846 
1 1 1   -7   20   32 o  236.325   11.777  703.165   69.503  776.420   97.743  628.240   98.850  246.993   15.932  221.461   18.031 25.53210 24.06130 
1 1 1   -7   20   33 o  140.141   10.537  248.277   36.606  221.842   50.308  278.019   53.363  131.413   15.637  147.533   14.679 -16.11984 21.44772 
1 1 1   -7   20   34 o  243.524   13.589  751.677   82.309  729.063  151.907  761.075   97.930  235.095   26.327  244.303   16.143 -9.208832 30.88245 
1 1 1   -7   20   35 o   99.977   17.015  130.673   40.957 -24.1675  100.694  161.368   44.833   67.374   29.923  111.456   16.616 -44.08189 34.22722 
1 1 1   -7   20   36 o  171.055   15.460  374.973   65.324   0.0000   0.0000  374.973   65.324  ?   ?   171.055   15.460 0.000000 15.45981 
1 1 1   -7   20   37 o  202.296   25.863  548.043  127.663   0.0000   0.0000  548.043  127.663  ?   ?   202.296   25.863 0.000000 25.86321 
1 1 1   -7   20   38 o  168.542   19.689  372.793   81.305  441.608  126.215  323.982  106.298  178.800   29.282  152.825   28.912 25.97504 41.15020 
1 1 1   -7   20   39 o  134.517   15.460  234.877   50.988  214.114  124.063  239.097   55.930  120.174   37.374  135.232   16.933 -15.05789 41.03105 
1 1 1   -7   20   40 o  217.074   13.450  604.436   72.552  658.379  153.647  588.957   82.306  216.602   29.146  213.313   15.559 3.289154 33.03870 
1 1 1   -7   20   41 o   93.002   17.146  115.847   38.354  231.635  122.550  103.274   40.383  122.039   37.000   87.074   19.097 34.96423 41.63786 
1 1 1   -7   20   42 o  115.866   15.630  177.173   44.069  222.120  134.169  171.738   46.657  117.348   39.094  113.511   16.982 3.837181 42.62277 
1 1 1   -7   20   43 o  256.993   14.682  859.631   93.829  922.197  201.111  842.223  106.082  246.686   33.514  252.707   16.908 -6.021011 37.53784 
1 1 1   -7   20   44 o   77.783   18.698   83.687   35.869  217.872  147.412   75.242   36.981  113.017   40.784   73.539   19.729 39.47762 45.30553 
1 1 1   -7   20   45 o   58.854   20.576   44.139   37.259  -0.1742  166.714   46.468   38.226   80.381   36.818   60.050   20.850 20.33134 42.31191 
1 1 1   -7   20   46 o   94.060   17.648  121.718   39.930  157.154  178.681  119.855   40.966   98.977   41.885   93.023   18.287 5.954865 45.70298 
1 1 1   -7   20   47 o  137.273   16.044  254.045   53.961  203.621  203.165  257.872   55.971  102.779   44.112  137.981   16.576 -35.20224 47.12365 
1 1 1   -7   21    1 o  211.581   9.7382  562.913   51.452  525.576   73.426  598.934   72.121  203.064   14.577  217.179   13.363 -14.11591 19.77518 
1 1 1   -7   21    2 o  326.970   11.889  1348.42   97.072  1365.60  137.708  1331.45  136.858  326.956   16.924  322.781   17.039 4.174500 24.01601 
1 1 1   -7   21    3 o  379.219   13.416  1817.84  127.048  1719.91  179.809  1915.48  179.538  365.764   19.759  387.102   18.573 -21.33829 27.11804 
1 1 1   -7   21    4 o  240.695   10.144  728.281   60.970  633.279   85.862  824.905   86.592  222.928   15.520  255.119   13.641 -32.19165 20.66328 
1 1 1   -7   21    5 o  102.162   10.039  132.388   25.281  127.554   34.971  137.679   36.589   99.410   14.515  103.338   14.584 -3.927986 20.57634 
1 1 1   -7   21    6 o  259.443   14.767  854.250   95.275  767.779  134.489  941.369  134.991  243.354   22.382  270.569   20.123 -27.21503 30.09779 
1 1 1   -7   21    7 o  398.652   13.457  2005.43  133.965  1892.98  188.532  2120.10  190.391  384.538   19.700  407.900   18.691 -23.36127 27.15585 
1 1 1   -7   21    8 o  380.721   13.156  1827.64  125.076  1758.64  176.192  1897.74  177.585  371.016   19.082  386.151   18.416 -15.13507 26.51906 
1 1 1   -7   21    9 o  195.021   9.4374  477.220   45.960  408.398   63.840  551.268   66.221  179.276   14.381  208.803   12.761 -29.52756 19.22678 
1 1 1   -7   21   10 o  528.873   17.268  3548.69  228.056  3533.35  321.676  3564.19  323.371  523.467   24.608  525.731   24.631 -2.264221 34.81753 
1 1 1   -7   21   11 o  292.888   11.346  1078.40   82.982  1063.58  116.482  1093.68  118.248  289.421   16.182  293.495   16.197 -4.074432 22.89488 
1 1 1   -7   21   12 o  185.720   9.7275  433.969   44.957  451.006   62.347  415.516   64.887  188.723   13.315  180.870   14.488 7.853195 19.67685 
1 1 1   -7   21   13 o  225.466   9.9841  638.018   56.214  659.734   78.268  614.882   80.788  228.332   13.791  220.185   14.779 8.146530 20.21415 
1 1 1   -7   21   14 o  255.756   15.537  829.892   98.759  886.499  136.666  768.027  142.874  262.676   21.011  243.392   23.812 19.28326 31.75613 
1 1 1   -7   21   15 o  446.808   21.504  2552.82  239.933  2515.69  337.094  2590.94  341.584  437.041   31.090  443.598   31.031 -6.557129 43.92642 
1 1 1   -7   21   16 o  248.486   11.916  776.701   73.940  698.762  125.060  818.586   91.680  232.747   21.770  254.247   14.500 -21.50056 26.15698 
1 1 1   -7   21   17 o   98.729   10.519  123.782   25.534  107.917   34.120  143.978   38.497   91.161   15.546  105.742   14.999 -14.58161 21.60220 
1 1 1   -7   21   18 o  242.777   10.418  740.218   63.157  721.756   87.820  759.995   90.895  238.583   14.813  244.813   14.940 -6.229416 21.03876 
1 1 1   -7   21   19 o  220.939   10.145  612.896   55.974  602.746   77.484  623.973   80.949  218.051   14.309  221.781   14.700 -3.730148 20.51430 
1 1 1   -7   21   20 o  115.540   10.132  168.883   28.938  173.798   39.167  162.975   42.941  116.603   13.713  112.444   15.723 4.159332 20.86272 
1 1 1   -7   21   21 o  179.275   9.6401  404.511   42.999  415.006   59.090  392.700   62.688  180.979   13.165  175.767   14.409 5.212265 19.51754 
1 1 1   -7   21   22 o  167.481   9.5907  353.169   39.945  354.610   54.687  351.521   58.485  167.205   13.205  166.262   14.223 0.9423523 19.40794 
1 1 1   -7   21   23 o  155.389   9.9290  304.377   38.327  342.439   52.839  262.117   55.677  164.328   12.982  143.038   15.854 21.29076 20.49110 
1 1 1   -7   21   24 o   82.748   12.592   88.179   25.199  121.045   34.027   48.267   37.498   96.849   14.517   62.683   20.657 34.16648 25.24797 
1 1 1   -7   21   25 o  449.873   15.259  2560.81  171.420  2616.09  241.536  2504.70  243.323  451.822   21.407  441.749   22.058 10.07339 30.73777 
1 1 1   -7   21   26 o  181.917   10.399  417.123   47.046  429.643   64.790  403.158   68.426  183.897   14.219  177.798   15.568 6.099136 21.08447 
1 1 1   -7   21   27 o  240.322   10.902  726.102   65.423  768.439   91.481  681.781   93.601  246.050   14.960  231.347   16.306 14.70351 22.12883 
1 1 1   -7   21   28 f   92.661   11.833  109.791   26.755  132.374   35.919   81.644   40.100  101.333   14.617   78.468   20.308 22.86440 25.02140 
1 1 1   -7   21   29 o  197.686   11.795  493.655   57.960  511.651   92.960  482.210   74.133  199.509   18.883  194.585   15.382 4.923538 24.35538 
1 1 1   -7   21   30 o  337.439   13.257  1436.68  111.712  1599.92  157.270  1270.45  158.708  354.178   17.839  314.511   20.316 39.66751 27.03648 
1 1 1   -7   21   31 o  280.287   12.150  989.770   85.038  1102.38  119.637  874.774  120.898  294.306   16.343  261.299   18.651 33.00705 24.79782 
1 1 1   -7   21   32 o  153.033   10.551  295.823   40.076  287.292   54.965  305.506   58.557  149.943   14.876  154.548   15.377 -4.605865 21.39489 
1 1 1   -7   21   33 f  265.371   11.975  887.526   79.355  888.259  111.235  886.766  113.241  263.731   16.980  263.393   17.313 0.3379517 24.25026 
1 1 1   -7   21   34 o  176.267   10.692  392.417   46.841  387.622   65.473  397.444   67.040  174.172   15.206  176.335   15.378 -2.163300 21.62671 
1 1 1   -7   21   35 o  183.939   13.437  430.365   61.295  507.091  121.293  404.051   71.033  195.425   25.459  177.450   16.209 17.97473 30.18100 
1 1 1   -7   21   36 o  190.695   16.637  467.793   78.431   0.0000   0.0000  467.793   78.431  ?   ?   190.695   16.637 0.000000 16.63677 
1 1 1   -7   21   37 o  155.755   29.266  335.587  109.651   0.0000   0.0000  335.587  109.651  ?   ?   155.755   29.266 0.000000 29.26605 
1 1 1   -7   21   38 o  325.346   28.280  1442.51  227.479   0.0000   0.0000  1442.51  227.479  ?   ?   325.346   28.280 0.000000 28.28048 
1 1 1   -7   21   39 o  119.352   15.292  185.618   44.529  249.550  111.464  173.478   48.573  130.132   33.945  114.581   17.534 15.55103 38.20606 
1 1 1   -7   21   40 o  146.427   14.284  277.653   51.564  493.283  127.057  235.136   56.419  187.444   28.003  133.504   17.332 53.94008 32.93242 
1 1 1   -7   21   41 f  119.180   15.726  186.984   45.659  203.375  125.816  184.498   49.000  114.107   37.850  117.814   17.159 -3.707153 41.55754 
1 1 1   -7   21   42 f  191.118   14.004  473.843   66.368  706.258  159.648  425.285   72.972  220.400   29.768  179.740   16.440 40.65987 34.00634 
1 1 1   -7   21   43 o  194.431   14.918  494.313   71.877  452.316  170.408  503.401   79.274  162.582   41.755  195.310   16.406 -32.72749 44.86192 
1 1 1   -7   21   44 o   57.981   19.405   43.758   33.053   99.031  146.337   40.787   33.930   90.840   38.144   56.785   19.647 34.05582 42.90632 
1 1 1   -7   21   45 o   77.082   19.042   83.049   36.440  244.080  156.608   73.832   37.469  115.477   41.981   72.497   20.031 42.97977 46.51529 
1 1 1   -7   21   46 o   95.855   21.043  131.038   48.989   50.851  178.123  137.599   50.954   85.499   38.733   98.087   21.404 -12.58749 44.25339 
1 1 1   -7   21   47 o  142.934   15.749  274.935   55.282   18.229  200.482  296.060   57.511   83.066   38.847  148.362   15.765 -65.29621 41.92365 
1 1 1   -7   22    1 o  121.999   14.490  191.564   43.282  150.110   60.701  234.437   61.731  105.314   23.659  133.835   19.005 -28.52052 30.34644 
1 1 1   -7   22    2 o  204.659   9.6687  526.880   49.414  534.321   70.744  519.792   69.051  204.840   13.913  202.065   13.767 2.775009 19.57234 
1 1 1   -7   22    3 o  302.496   16.948  1171.19  127.509   0.0000   0.0000  1171.19  127.509  ?   ?   302.496   16.948 0.000000 16.94822 
1 1 1   -7   22    4 o  152.626   12.617  296.238   47.657  296.238   47.657   0.0000   0.0000  152.626   12.617  ?   ?  0.000000 12.61696 
1 1 1   -7   22    5 o  240.133   10.189  725.378   61.096  716.548   86.285  734.257   86.522  237.304   14.632  240.272   14.488 -2.968521 20.59121 
1 1 1   -7   22    6 o  164.474   9.4209  340.950   38.533  285.818   53.596  399.936   55.437  149.524   14.538  177.561   12.584 -28.03697 19.22779 
1 1 1   -7   22    7 o  127.655   9.4012  205.777   29.758  182.206   41.042  231.903   43.210  119.215   14.057  134.913   12.986 -15.69813 19.13715 
1 1 1   -7   22    8 o  235.370   14.198  703.327   83.058  651.506  117.474  755.127  117.450  224.212   21.234  242.151   19.591 -17.93939 28.89114 
1 1 1   -7   22    9 o  125.946   9.6220  200.373   30.033  184.939   40.789  218.648   44.385  120.203   13.841  130.837   13.793 -10.63371 19.54019 
1 1 1   -7   22   10 o  263.946   10.877  876.314   71.695  899.444  100.607  852.448  102.195  266.059   15.206  258.785   15.891 7.273895 21.99386 
1 1 1   -7   22   11 o  137.451   9.4489  238.291   32.236  189.537   44.126  294.089   47.206  121.521   14.850  152.239   12.528 -30.71822 19.42878 
1 1 1   -7   22   12 o  260.406   10.886  852.760   70.792  854.492   99.017  850.948  101.250  259.323   15.359  258.667   15.750 0.6553345 21.99894 
1 1 1   -7   22   13 o  240.476   10.431  726.747   62.640  731.193   87.247  722.017   89.989  240.035   14.625  238.366   15.197 1.668701 21.09146 
1 1 1   -7   22   14 o  191.889   9.6533  463.437   46.109  460.910   63.829  466.194   66.680  190.641   13.495  191.617   14.033 -0.9759674 19.46872 
1 1 1   -7   22   15 o  319.832   12.129  1288.32   96.870  1389.89  136.300  1184.65  137.701  330.993   16.490  304.551   18.189 26.44223 24.55156 
1 1 1   -7   22   16 o  199.183   11.407  500.759   56.501  486.029   66.668  538.310  106.448  195.749   13.725  203.940   21.212 -8.191147 25.26537 
1 1 1   -7   22   17 o  187.304   14.805  446.346   68.682  497.722   91.441  379.845  104.034  196.767   18.840  169.596   25.342 27.17111 31.57776 
1 1 1   -7   22   18 o  181.247   14.409  417.702   64.679  429.110   85.445  402.394   98.979  182.523   19.026  175.400   23.164 7.123810 29.97631 
1 1 1   -7   22   19 o  365.747   14.901  1692.15  136.099  1564.27  232.742  1758.59  167.774  345.562   27.191  371.728   18.074 -26.16571 32.64964 
1 1 1   -7   22   20 o  380.982   13.272  1831.20  126.263  1787.22  177.327  1876.43  179.826  373.883   19.056  383.684   18.768 -9.800629 26.74666 
1 1 1   -7   22   21 o  140.808   9.7534  250.128   34.084  217.691   46.062  289.383   50.672  130.482   14.375  150.820   13.600 -20.33746 19.78916 
1 1 1   -7   22   22 o  203.241   10.093  518.891   51.226  528.896   70.638  507.792   74.398  204.175   13.938  199.783   15.023 4.391998 20.49231 
1 1 1   -7   22   23 o  400.768   14.114  2029.35  141.255  2118.46  198.809  1938.51  200.736  407.274   19.548  388.529   20.765 18.74493 28.51826 
1 1 1   -7   22   24 o  198.103   10.492  494.604   51.720  586.061   71.840  396.195   74.521  215.079   13.443  175.783   17.197 39.29643 21.82768 
1 1 1   -7   22   25 o  379.140   13.889  1815.68  131.501  1997.97  185.265  1630.58  186.683  395.855   18.742  356.063   21.090 39.79239 28.21378 
1 1 1   -7   22   26 o  359.333   13.529  1629.98  121.403  1711.68  170.983  1546.91  172.405  365.936   18.774  347.301   19.963 18.63437 27.40415 
1 1 1   -7   22   27 o  216.797   10.683  590.900   57.834  613.560   79.885  565.942   83.837  219.787   14.639  210.680   16.056 9.107193 21.72786 
1 1 1   -7   22   28 o  260.233   16.895  863.680  109.196   0.0000   0.0000  863.680  109.196  ?   ?   260.233   16.895 0.000000 16.89467 
1 1 1   -7   22   29 o  314.156   16.769  1257.03  131.080  1257.03  131.080   0.0000   0.0000  314.156   16.769  ?   ?  0.000000 16.76918 
1 1 1   -7   22   30 o  318.665   12.712  1280.78  101.162  1463.77  142.222  1093.38  143.922  339.408   16.780  291.698   19.876 47.70966 26.01237 
1 1 1   -7   22   31 o  214.304   10.593  577.563   56.691  554.131   77.967  603.849   82.578  208.633   15.066  217.777   15.281 -9.144104 21.45967 
1 1 1   -7   22   32 o  175.529   10.442  388.815   45.566  389.004   62.423  388.600   66.666  174.736   14.435  174.388   15.469 0.3478851 21.15801 
1 1 1   -7   22   33 o  107.530   11.562  147.343   30.559  145.212   40.651  150.112   46.339  105.813   15.874  107.096   17.963 -1.283867 23.97222 
1 1 1   -7   22   34 o  170.156   10.613  365.908   44.871  391.301   61.641  337.288   65.443  175.168   14.214  161.967   16.407 13.20155 21.70764 
1 1 1   -7   22   35 o   88.793   12.987  101.800   27.946   74.233   36.699  139.846   43.113   74.601   19.487  103.279   17.330 -28.67822 26.07820 
1 1 1   -7   22   36 o  145.688   16.832  275.117   60.109   0.0000   0.0000  275.117   60.109  ?   ?   145.688   16.832 0.000000 16.83193 
1 1 1   -7   22   37 o  132.410   31.847  249.853  104.016   0.0000   0.0000  249.853  104.016  ?   ?   132.410   31.847 0.000000 31.84724 
1 1 1   -7   22   38 o  249.279   27.053  848.423  165.701   0.0000   0.0000  848.423  165.701  ?   ?   249.279   27.053 0.000000 27.05309 
1 1 1   -7   22   39 o   85.568   27.834  100.132   68.163  130.189  106.437   79.235   88.749   97.366   34.709   82.319   31.275 15.04607 46.72102 
1 1 1   -7   22   40 o  183.270   13.989  433.789   63.536  356.739  137.025  454.891   71.711  152.248   36.512  187.006   15.496 -34.75829 39.66428 
1 1 1   -7   22   41 o  215.999   14.910  606.457   79.929  564.405  167.718  618.815   90.917  191.102   36.476  216.989   16.912 -25.88631 40.20576 
1 1 1   -7   22   42 o  109.264   16.539  159.379   43.715  273.522  125.914  143.736   46.614  129.974   37.012  102.688   18.873 27.28571 41.54616 
1 1 1   -7   22   43 o  106.575   17.430  153.366   44.784   36.614  135.888  167.592   47.434   80.512   35.298  111.410   17.637 -30.89768 39.45880 
1 1 1   -7   22   44 o  109.863   16.884  162.690   44.839  353.022  148.774  143.673   47.026  142.394   40.122  102.072   19.153 40.32161 44.45868 
1 1 1   -7   22   45 o   80.264   19.958   90.932   39.833   4.6528  155.196   97.016   41.214   78.176   35.701   82.868   20.118 -4.692825 40.97897 
1 1 1   -7   22   46 o  190.507   15.349  482.745   72.402  586.537  206.020  468.120   77.335  169.813   46.991  186.478   16.787 -16.66452 49.89996 
1 1 1   -7   22   47 o   84.172   22.711  104.911   48.839   0.0000   0.0000  104.911   48.839  ?   ?    84.172   22.711 0.000000 22.71062 
1 1 1   -7   23    1 o  240.731   10.220  730.402   61.440  720.957   88.187  739.311   85.647  237.470   14.947  240.716   14.313 -3.245987 20.69489 
1 1 1   -7   23    2 o  174.651   14.057  389.804   60.787   0.0000   0.0000  389.804   60.787  ?   ?   174.651   14.057 0.000000 14.05677 
1 1 1   -7   23    3 o  165.602   20.177  358.843   81.715  358.843   81.715   0.0000   0.0000  165.602   20.177  ?   ?  0.000000 20.17699 
1 1 1   -7   23    4 o  194.254   9.6226  474.739   46.678  490.092   66.674  459.980   65.372  196.157   13.697  189.957   13.877 6.200378 19.49852 
1 1 1   -7   23    5 o  355.384   12.815  1597.61  113.729  1560.02  160.892  1635.16  160.781  348.259   18.567  356.824   18.103 -8.565643 25.93210 
1 1 1   -7   23    6 o  136.184   9.8172  234.475   33.162  140.577   46.588  330.920   47.215  103.227   18.764  161.515   11.788 -58.28800 22.15937 
1 1 1   -7   23    7 o  235.945   10.356  700.708   61.020  676.455   85.845  725.477   86.752  230.350   15.006  238.704   14.624 -8.354126 20.95312 
1 1 1   -7   23    8 o  294.025   11.450  1089.81   84.073  1066.82  117.917  1113.57  119.901  289.026   16.405  295.342   16.321 -6.316162 23.14075 
1 1 1   -7   23    9 o  130.323   9.8644  214.735   31.865  224.435   44.218  204.256   45.960  132.539   13.551  126.073   14.886 6.466072 20.12954 
1 1 1   -7   23   10 o   94.175   13.692  114.433   31.257   74.707   44.094  154.558   44.315   75.306   22.042  108.988   16.824 -33.68229 27.72873 
1 1 1   -7   23   11 f  195.132   11.176  481.024   54.231  448.065   66.951  543.907   92.478  187.574   14.403  205.639   18.197 -18.06482 23.20716 
1 1 1   -7   23   12 f  343.597   12.655  1490.01  108.584  1489.81  152.613  1490.22  154.527  341.282   17.971  341.225   18.201 0.5709839E-01 25.57736 
1 1 1   -7   23   13 o  149.204   9.3664  280.665   34.721  211.583   47.203  362.112   51.254  128.385   15.006  169.033   12.225 -40.64792 19.35564 
1 1 1   -7   23   14 o  179.722   9.6135  406.881   42.989  363.567   58.660  457.130   63.182  168.992   14.027  189.765   13.420 -20.77225 19.41252 
1 1 1   -7   23   15 o  369.069   13.182  1719.95  121.491  1731.55  170.733  1708.05  172.916  367.820   18.649  365.125   19.030 2.695190 26.64470 
1 1 1   -7   23   16 o  351.608   12.665  1559.58  111.203  1532.11  156.016  1587.94  158.545  346.210   18.109  352.494   18.072 -6.284424 25.58393 
1 1 1   -7   23   17 o  171.642   9.7469  371.257   41.605  364.478   56.753  379.134   61.173  169.341   13.534  172.553   14.326 -3.212433 19.70788 
1 1 1   -7   23   18 o  275.734   11.102  956.762   76.444  985.249  106.396  926.365  109.906  278.412   15.363  269.605   16.403 8.807312 22.47356 
1 1 1   -7   23   19 o  273.065   12.852  940.793   87.635  934.961  105.004  954.180  159.086  271.133   15.574  270.689   23.776 0.4441223 28.42244 
1 1 1   -7   23   20 o  395.944   19.914  2011.35  196.275  1981.64  273.218  2043.04  282.147  387.689   28.419  393.301   28.931 -5.611786 40.55416 
1 1 1   -7   23   21 o  370.801   19.207  1761.20  177.235  1775.94  245.821  1745.25  255.771  367.922   26.943  363.763   28.381 4.159668 39.13332 
1 1 1   -7   23   22 o  128.544   11.832  209.851   37.553  213.845   58.672  207.080   48.876  128.149   18.902  126.860   15.768 1.288956 24.61555 
1 1 1   -7   23   23 o  234.976   10.269  693.994   60.257  672.527   83.038  717.871   87.577  230.114   14.525  237.690   14.829 -7.575989 20.75726 
1 1 1   -7   23   24 o  140.073   10.524  248.054   36.541  282.591   49.354  206.152   54.362  149.016   13.406  126.084   17.758 22.93240 22.25002 
1 1 1   -7   23   25 o  221.682   10.793  618.100   59.750  648.567   82.758  584.926   86.355  225.906   14.751  214.074   16.276 11.83232 21.96560 
1 1 1   -7   23   26 o  138.497   10.564  242.558   36.260  258.343   48.937  223.343   53.994  142.314   13.949  131.564   16.819 10.74956 21.85134 
1 1 1   -7   23   27 o  374.394   16.086  1778.90  150.392  1904.56  260.069  1715.77  184.341  380.651   27.546  365.440   20.280 15.21112 34.20589 
1 1 1   -7   23   28 o  191.568   10.965  463.212   52.239  481.532   71.593  442.353   76.394  194.469   14.855  185.881   16.634 8.588242 22.30116 
1 1 1   -7   23   29 o  148.875   10.681  280.185   39.446  295.507   53.193  261.466   58.796  152.223   14.156  142.465   16.854 9.758270 22.00961 
1 1 1   -7   23   30 o  168.721   10.825  359.627   45.367  399.894   61.681  312.168   66.962  177.275   14.048  155.620   17.537 21.65472 22.46986 
1 1 1   -7   23   31 o  278.621   11.859  978.532   82.509  986.157  114.845  970.398  118.616  277.973   16.621  275.476   17.331 2.496765 24.01305 
1 1 1   -7   23   32 o  287.929   12.376  1046.32   88.984  1132.66  124.757  956.915  126.956  297.771   16.847  272.875   18.745 24.89563 25.20274 
1 1 1   -7   23   33 o  232.784   11.286  683.037   65.603  737.194   90.940  624.272   94.731  240.453   15.224  220.499   17.344 19.95390 23.07770 
1 1 1   -7   23   34 o  158.280   10.875  317.234   42.724  301.577   58.095  335.676   63.052  153.231   15.390  161.614   15.826 -8.382797 22.07561 
1 1 1   -7   23   35 o  155.762   12.604  309.125   48.606  379.524   72.911  252.811   65.211  171.286   17.282  138.809   19.338 32.47620 25.93499 
1 1 1   -7   23   36 o  100.306   12.801  129.622   31.334  120.333   42.658  140.506   46.177   95.038   18.640  102.878   18.661 -7.839897 26.37629 
1 1 1   -7   23   37 o  179.149   29.102  446.286  125.723   0.0000   0.0000  446.286  125.723  ?   ?   179.149   29.102 0.000000 29.10159 
1 1 1   -7   23   38 o   98.741   33.384  136.645   97.836   0.0000   0.0000  136.645   97.836  ?   ?    98.741   33.384 0.000000 33.38389 
1 1 1   -7   23   39 o  117.014   27.325  195.251   78.399  154.735  119.404  225.955  103.944  103.510   36.777  123.044   33.104 -19.53401 49.48132 
1 1 1   -7   23   40 o  164.642   15.179  353.408   61.703  342.012  136.729  356.322   69.143  147.617   37.127  164.412   17.091 -16.79445 40.87183 
1 1 1   -7   23   41 o  176.088   14.622  404.039   63.716  477.730  139.804  384.720   71.583  178.262   32.607  170.542   17.036 7.719528 36.78960 
1 1 1   -7   23   42 o  193.206   14.343  486.593   68.709  486.362  152.822  486.651   76.922  175.232   36.124  192.127   16.184 -16.89427 39.58386 
1 1 1   -7   23   43 o  181.792   14.921  433.743   67.138  606.761  159.832  396.674   73.981  197.960   33.529  172.288   17.436 25.67230 37.79159 
1 1 1   -7   23   44 o  155.096   15.776  319.390   60.250  436.449  166.493  301.751   64.630  156.137   41.850  149.626   17.636 6.510406 45.41386 
1 1 1   -7   23   45 o  121.589   17.114  200.488   50.527  149.727  162.362  205.931   53.167   97.196   40.446  122.840   17.855 -25.64433 44.21178 
1 1 1   -7   23   46 o  102.301   18.819  146.182   46.306  137.019  166.829  146.947   48.200   93.611   40.070  102.130   19.612 -8.518860 44.61174 
1 1 1   -7   23   47 o  122.963   17.542  208.719   52.338   0.0000   0.0000  208.719   52.338  ?   ?   122.963   17.542 0.000000 17.54213 
1 1 1   -7   24    1 o   61.953   14.541   50.821   22.109   23.458   39.840   62.998   26.577   52.982   20.735   68.874   15.790 -15.89260 26.06264 
1 1 1   -7   24    2 o  233.908   10.406  690.158   60.781  688.823   87.168  691.422   84.795  231.910   15.135  232.522   14.679 -0.6121826 21.08384 
1 1 1   -7   24    3 o   83.850   12.541   90.930   25.452   53.806   38.373  120.092   34.010   64.906   20.863   96.100   14.634 -31.19364 25.48393 
1 1 1   -7   24    4 o  143.959   14.512  266.145   51.458  270.154   71.245  261.773   74.402  143.135   20.519  140.339   21.949 2.796234 30.04690 
1 1 1   -7   24    5 o  129.580   15.106  216.525   47.964  172.365   65.956  266.092   69.878  112.721   24.158  142.197   20.251 -29.47600 31.52287 
1 1 1   -7   24    6 o  182.984   9.6916  422.549   44.128  425.242   62.321  419.842   62.491  182.590   13.769  181.384   13.902 1.206558 19.56701 
1 1 1   -7   24    7 o  221.884   10.234  620.032   56.707  599.789   79.719  640.767   80.682  216.739   14.818  224.158   14.491 -7.419373 20.72593 
1 1 1   -7   24    8 o   88.013   11.428   99.318   24.525   96.518   34.641  102.133   34.726   85.549   16.815   88.164   16.376 -2.614998 23.47115 
1 1 1   -7   24    9 o  224.873   10.168  636.521   57.098  619.260   79.838  654.593   81.691  220.407   14.588  226.658   14.509 -6.251236 20.57477 
1 1 1   -7   24   10 o  181.498   9.7824  415.510   44.174  367.038   61.180  468.302   63.847  169.472   14.599  191.893   13.408 -22.42116 19.82180 
1 1 1   -7   24   11 o  260.941   10.932  857.831   71.237  866.747   99.614  848.499  101.915  260.732   15.367  257.773   15.910 2.959259 22.11996 
1 1 1   -7   24   12 f  341.853   17.611  1496.29  149.831  1406.22  211.613  1586.84  212.175  326.533   26.172  348.057   24.569 -21.52414 35.89713 
1 1 1   -7   24   13 o  301.980   16.268  1163.70  122.225  1070.32  172.718  1257.37  172.987  285.730   24.442  310.978   22.426 -25.24789 33.17123 
1 1 1   -7   24   14 o  247.514   10.642  771.138   65.776  768.741   91.469  773.704   94.655  245.727   14.978  246.366   15.464 -0.6392670 21.52823 
1 1 1   -7   24   15 o  355.282   13.087  1595.14  116.108  1666.51  163.131  1521.86  165.292  360.723   18.168  344.110   19.314 16.61285 26.51591 
1 1 1   -7   24   16 o  312.973   12.058  1235.46   94.237  1294.50  132.120  1174.31  134.452  318.498   16.670  302.826   17.859 15.67258 24.42961 
1 1 1   -7   24   17 o  207.865   10.010  543.235   51.959  519.712   71.209  570.020   75.986  202.137   14.197  211.666   14.462 -9.529434 20.26621 
1 1 1   -7   24   18 o  308.103   11.752  1196.49   90.420  1168.91  126.092  1225.69  129.730  302.634   16.750  309.885   16.828 -7.251556 23.74295 
1 1 1   -7   24   19 o  157.370   9.8621  312.467   38.561  284.344   52.000  346.826   57.476  149.258   14.119  164.976   14.086 -15.71785 19.94433 
1 1 1   -7   24   20 o  105.347   10.908  141.143   28.280  142.908   37.339  138.768   43.308  105.269   14.597  103.027   17.457 2.242065 22.75548 
1 1 1   -7   24   21 o  241.194   10.715  731.978   64.538  760.200   89.192  700.963   93.501  244.561   14.672  234.387   16.072 10.17401 21.76178 
1 1 1   -7   24   22 o  172.655   12.201  377.729   52.265  409.608   60.264  280.984  104.983  179.532   13.542  143.307   30.284 36.22498 33.17382 
1 1 1   -7   24   23 o  366.273   18.837  1718.83  171.707  1647.92  235.902  1798.72  250.409  353.994   26.887  369.610   27.324 -15.61578 38.33418 
1 1 1   -7   24   24 o  107.448   17.249  150.450   44.716  162.890   52.168  116.000   86.816  111.318   19.476   94.768   31.441 16.55002 36.98465 
1 1 1   -7   24   25 o  218.354   15.399  607.530   83.426  581.405  105.683  650.730  135.900  212.053   20.202  222.555   24.879 -10.50290 32.04787 
1 1 1   -7   24   26 o  291.531   13.683  1074.42   99.615  1041.66  165.541  1093.02  124.724  282.729   23.664  292.546   17.148 -9.817017 29.22417 
1 1 1   -7   24   27 o  282.777   13.790  1011.15   97.380  1032.12  161.424  999.154  122.100  281.641   23.157  279.480   17.585 2.161835 29.07708 
1 1 1   -7   24   28 o  231.046   11.407  672.413   65.813  687.859   90.261  654.879   96.168  232.291   15.651  226.159   17.156 6.131561 23.22266 
1 1 1   -7   24   29 o  102.335   12.353  133.984   30.929  140.115   40.603  125.508   47.739  103.835   16.187   97.180   20.325 6.654778 25.98321 
1 1 1   -7   24   30 o  172.617   11.298  376.939   48.431  356.387   65.942  401.008   71.361  166.718   16.037  176.846   16.344 -10.12798 22.89781 
1 1 1   -7   24   31 o   82.835   13.683   89.044   27.317   78.375   35.044  105.564   43.608   76.783   18.496   88.968   20.102 -12.18530 27.31676 
1 1 1   -7   24   32 o  174.906   11.169  387.137   48.530  372.171   65.820  404.964   71.838  170.382   15.645  177.570   16.386 -7.187820 22.65475 
1 1 1   -7   24   33 o  131.637   12.433  220.964   40.386  237.703   57.961  205.168   56.305  135.234   17.579  125.194   18.573 10.04041 25.57296 
1 1 1   -7   24   34 o  137.084   12.392  239.696   41.962  252.898   60.434  227.406   58.309  139.347   17.772  131.903   18.186 7.443954 25.42802 
1 1 1   -7   24   35 o  126.430   12.448  204.485   38.792  226.166   55.137  183.235   54.587  131.676   17.177  117.653   19.245 14.02330 25.79615 
1 1 1   -7   24   36 o  126.297   16.407  208.120   50.524  237.842   56.965   98.539  109.381  134.827   17.320   91.394   34.721 43.43260 38.80148 
1 1 1   -7   24   37 o  208.937   17.387  568.639   89.891  710.872  113.234  326.247  147.821  232.445   19.693  145.474   39.620 86.97060 44.24412 
1 1 1   -7   24   38 o   78.616   31.745   57.572   96.277   0.0000   0.0000   57.572   96.277  ?   ?    78.616   31.745 0.000000 31.74545 
1 1 1   -7   24   39 o   95.712   28.604  132.133   73.631  105.690  105.415  157.326  102.892   90.150   34.125  102.951   34.232 -12.80005 48.33590 
1 1 1   -7   24   40 o   78.899   19.848   85.968   39.071  129.741  111.188   79.801   41.732   95.371   35.261   75.870   21.205 19.50020 41.14564 
1 1 1   -7   24   41 f  191.859   14.772  480.655   70.231  617.985  150.716  442.564   79.376  204.493   30.442  182.370   17.650 22.12317 35.18899 
1 1 1   -7   24   42 o  282.354   15.746  1047.27  110.581  1238.78  219.431  982.072  128.027  287.889   31.012  270.291   19.091 17.59882 36.41705 
1 1 1   -7   24   43 o  117.827   17.076  187.090   48.779  347.752  144.446  166.411   51.823  141.953   39.371  109.754   19.629 32.19875 43.99280 
1 1 1   -7   24   44 o   73.943   20.532   77.348   39.261  104.520  136.947   74.915   40.982   89.030   37.105   72.728   21.239 16.30112 42.75358 
1 1 1   -7   24   45 o  159.978   15.618  341.703   61.599  300.468  166.450  348.247   66.307  122.508   43.433  160.740   16.766 -38.23165 46.55662 
1 1 1   -7   24   46 o   78.844   21.605   90.681   43.799   0.0000   0.0000   90.681   43.799  ?   ?    78.844   21.605 0.000000 21.60507 
1 1 1   -7   25    1 f  282.375   15.743  1024.97  110.571  1108.45  164.727  956.515  149.170  289.086   23.009  268.833   22.425 20.25375 32.12922 
1 1 1   -7   25    2 o   60.841   15.760   49.157   24.137   45.197   37.221   52.032   31.708   60.667   20.591   62.923   18.763 -2.256084 27.85746 
1 1 1   -7   25    3 o  287.543   11.627  1046.32   83.491  1078.90  119.347  1015.10  116.840  289.564   16.574  280.760   16.741 8.803436 23.55756 
1 1 1   -7   25    4 o  129.575   10.677  213.341   34.240  145.999   50.586  270.278   46.514  104.514   20.112  145.402   12.946 -40.88875 23.91867 
1 1 1   -7   25    5 f  157.857   10.361  315.594   40.618  248.449   58.363  378.659   56.563  138.143   17.298  172.241   13.252 -34.09789 21.79070 
1 1 1   -7   25    6 o  241.421   15.515  746.681   93.041  734.847  128.769  759.608  134.584  236.477   22.061  240.104   22.716 -3.627060 31.66529 
1 1 1   -7   25    7 o  313.277   17.339  1261.95  135.115  1220.23  188.508  1306.03  193.762  303.289   25.116  313.972   24.918 -10.68271 35.37954 
1 1 1   -7   25    8 o  289.067   11.482  1055.37   82.880  1027.81  116.778  1083.33  117.647  283.068   16.593  290.785   16.267 -7.716888 23.23642 
1 1 1   -7   25    9 o  286.288   11.461  1034.84   81.938  993.903  114.607  1077.65  117.192  278.436   16.558  290.108   16.242 -11.67200 23.19382 
1 1 1   -7   25   10 o  195.853   10.058  484.229   49.025  479.821   68.017  488.995   70.726  193.927   14.143  195.653   14.580 -1.725342 20.31257 
1 1 1   -7   25   11 o  141.064   9.9452  251.682   34.809  264.977   47.911  236.818   50.658  144.008   13.480  135.639   15.219 8.369034 20.32995 
1 1 1   -7   25   12 o  358.860   13.021  1629.84  116.684  1563.59  163.889  1697.96  166.168  348.439   18.906  363.447   18.368 -15.00879 26.35959 
1 1 1   -7   25   13 o  267.169   10.839  899.496   72.315  833.496  100.624  969.996  103.998  255.386   15.856  275.842   15.156 -20.45534 21.93459 
1 1 1   -7   25   14 o  249.079   14.668  790.145   90.833  642.526  128.026  939.768  128.892  221.055   23.555  269.868   19.252 -48.81320 30.42207 
1 1 1   -7   25   15 o  588.081   27.669  4570.65  406.327  4609.09  574.644  4532.21  574.624  571.882   40.500  566.450   40.898 5.432068 57.55802 
1 1 1   -7   25   16 o  300.205   11.304  1136.10   84.746  987.114  117.758  1296.15  122.055  277.654   17.066  319.390   15.303 -41.73535 22.92274 
1 1 1   -7   25   17 o  162.755   9.9278  334.376   40.157  345.880   54.384  320.585   59.547  164.837   13.326  158.177   15.265 6.659668 20.26310 
1 1 1   -7   25   18 o   76.369   13.144   75.757   24.163   86.687   31.531   60.208   37.608   81.191   16.121   68.001   20.470 13.18955 26.05566 
1 1 1   -7   25   19 o  166.711   9.9757  350.750   41.339  352.912   55.746  348.108   61.617  166.490   13.525  164.948   15.128 1.541748 20.29234 
1 1 1   -7   25   20 f  249.785   10.752  785.510   67.065  813.259   92.298  754.474   97.612  252.854   14.681  243.032   16.176 9.821899 21.84479 
1 1 1   -7   25   21 o  222.833   10.476  624.833   58.297  608.362   79.555  643.935   85.672  218.597   14.659  224.716   15.359 -6.119156 21.23150 
1 1 1   -7   25   22 o  180.946   10.165  413.073   45.743  371.183   61.350  465.517   68.645  170.552   14.544  191.148   14.489 -20.59529 20.52909 
1 1 1   -7   25   23 o  155.713   10.377  306.361   40.119  281.849   53.436  338.026   60.735  148.448   14.604  162.560   15.135 -14.11147 21.03222 
1 1 1   -7   25   24 f  442.393   15.319  2484.08  169.235  2541.27  237.088  2424.66  241.645  444.045   21.381  432.533   22.449 11.51120 31.00205 
1 1 1   -7   25   25 o  307.238   14.047  1195.03  107.774  1204.49  127.874  1171.85  200.248  307.140   16.735  297.604   27.247 9.536133 31.97646 
1 1 1   -7   25   26 f  272.291   27.284  982.619  183.027   0.0000   0.0000  982.619  183.027  ?   ?   272.291   27.284 0.000000 27.28446 
1 1 1   -7   25   27 o  178.092   19.149  410.676   83.825  410.676   83.825   0.0000   0.0000  178.092   19.149  ?   ?  0.000000 19.14950 
1 1 1   -7   25   28 o  250.286   18.012  804.352  111.822  1013.38  146.718  514.653  172.725  279.666   21.165  190.982   37.555 88.68359 43.10885 
1 1 1   -7   25   29 o  269.741   17.577  932.851  117.754  1029.88  154.087  796.638  182.570  281.391   22.106  242.706   30.818 38.68513 37.92643 
1 1 1   -7   25   30 o  261.860   18.046  881.226  117.283  1050.39  153.403  643.239  181.955  284.210   21.780  215.099   35.084 69.11111 41.29508 
1 1 1   -7   25   31 o  152.819   16.624  301.259   62.416  349.496   73.209  172.888  119.428  164.245   18.153  112.254   36.859 51.99165 41.08672 
1 1 1   -7   25   32 o  115.816   16.972  174.885   47.628  185.887   52.892  127.714  109.516  119.060   18.382   99.739   35.244 19.32103 39.74983 
1 1 1   -7   25   33 o  111.308   17.112  162.171   46.040  177.429   50.775   91.618  109.184  116.241   18.079   90.802   34.644 25.43903 39.07770 
1 1 1   -7   25   34 o  123.011   17.171  197.868   51.307  241.006   57.582   31.687  113.019  135.903   17.364   79.301   33.421 56.60245 37.66274 
1 1 1   -7   25   35 o  264.470   18.284  909.255  120.010  1068.47  156.009  678.477  187.825  284.226   22.155  216.443   36.016 67.78334 42.28488 
1 1 1   -7   25   36 o  132.966   17.055  231.857   55.324  289.866   63.056   37.883  115.305  148.790   17.293   79.952   33.730 68.83788 37.90472 
1 1 1   -7   25   37 o  116.112   16.581  177.674   46.713  196.155   51.462   91.189  111.325  121.789   17.417   88.717   34.677 33.07254 38.80566 
1 1 1   -7   25   38 o  109.165   16.508  157.905   43.597  194.136   47.497 -35.9342  109.862  121.427   16.058   66.144   30.140 55.28298 34.15122 
1 1 1   -7   25   39 o   83.961   28.750   97.795   72.570  131.535  100.951   61.714  104.395   95.344   33.822   79.928   32.763 15.41626 47.08921 
1 1 1   -7   25   40 o  146.891   14.866  282.767   53.779  326.161  120.098  271.883   60.147  145.055   33.784  142.893   17.201 2.162262 37.91124 
1 1 1   -7   25   41 o   95.260   19.411  125.310   44.609  236.079  123.114  108.570   47.861  119.406   37.246   87.575   21.933 31.83061 43.22426 
1 1 1   -7   25   42 o  168.187   15.405  373.333   63.982  340.488  140.645  381.904   71.847  141.402   38.703  168.978   17.269 -27.57510 42.38064 
1 1 1   -7   25   43 o   49.928   19.619   23.256   35.789   29.330  127.119   22.734   37.297   76.452   33.804   50.342   19.949 26.10993 39.25174 
1 1 1   -7   25   44 o   70.433   21.191   70.275   40.311  160.467  140.854   62.228   42.071   98.143   38.807   66.934   21.872 31.20838 44.54647 
1 1 1   -7   25   45 o  189.284   15.878  479.900   74.359  527.945  189.744  471.182   80.824  161.925   45.200  186.135   17.597 -24.20947 48.50481 
1 1 1   -7   25   46 o   53.611   20.622   32.201   38.884   0.0000   0.0000   32.201   38.884  ?   ?    53.611   20.622 0.000000 20.62186 
1 1 1   -7   26    1 o  171.982   15.754  383.162   66.908  383.162   66.908   0.0000   0.0000  171.982   15.754  ?   ?  0.000000 15.75430 
1 1 1   -7   26    2 o  150.666   12.769  290.687   47.592  493.436   86.153  201.645   57.094  194.495   17.940  123.234   19.176 71.26095 26.26000 
1 1 1   -7   26    3 o   87.469   14.257  100.014   30.068  -8.8972   61.566  134.128   34.457   53.945   23.702  101.677   13.938 -47.73146 27.49624 
1 1 1   -7   26    4 o  112.812   10.902  162.351   30.329  171.531   46.326  155.465   40.122  114.429   16.704  109.310   15.102 5.119431 22.51880 
1 1 1   -7   26    5 f  202.082   9.9677  515.115   50.301  589.097   73.218  448.988   69.222  214.722   13.727  186.929   14.954 27.79294 20.29919 
1 1 1   -7   26    6 o   82.614   12.622   88.457   25.212   97.512   38.625   81.735   33.280   85.351   18.644   78.262   17.471 7.088356 25.55057 
1 1 1   -7   26    7 o  251.284   10.719  797.209   67.260  848.531   95.425  746.540   94.817  257.522   14.903  241.119   15.835 16.40274 21.74486 
1 1 1   -7   26    8 o  132.832   16.353  228.990   53.100  204.157   68.968  265.137   83.209  122.983   23.310  139.998   24.704 -17.01469 33.96570 
1 1 1   -7   26    9 o  176.202   15.419  398.963   67.161  405.098   89.625  391.105  101.427  175.556   20.852  170.894   24.465 4.661362 32.14563 
1 1 1   -7   26   10 o  100.783   10.994  129.671   27.220  140.814   38.436  118.460   38.554  104.085   15.239   94.872   16.892 9.212799 22.75038 
1 1 1   -7   26   11 o   84.986   12.158   93.127   25.068  110.189   35.213   75.595   35.695   91.678   15.961   75.193   19.002 16.48470 24.81556 
1 1 1   -7   26   12 o  223.424   10.480  629.189   58.470  611.731   81.285  647.908   84.170  218.755   14.970  225.127   15.059 -6.371857 21.23358 
1 1 1   -7   26   13 o  172.085   10.002  374.108   42.796  383.930   58.726  362.984   62.497  173.474   13.667  168.270   15.031 5.204041 20.31579 
1 1 1   -7   26   14 o  198.572   10.203  497.868   50.421  484.765   69.416  512.502   73.360  194.872   14.366  200.273   14.773 -5.401611 20.60623 
1 1 1   -7   26   15 o  405.384   14.396  2086.68  145.734  2093.89  204.764  2079.27  207.459  402.219   20.454  400.560   20.812 1.658478 29.18039 
1 1 1   -7   26   16 o  126.185   13.457  203.882   41.749  236.712   59.495  172.031   58.600  134.807   18.133  113.610   21.442 21.19749 28.08107 
1 1 1   -7   26   17 o  315.360   16.859  1273.13  132.288  1283.26  187.104  1263.00  187.062  312.623   24.154  310.004   24.360 2.618866 34.30510 
1 1 1   -7   26   18 o  324.703   12.725  1333.13  103.180  1516.43  144.322  1141.49  147.568  344.722   16.765  297.127   20.005 47.59509 26.10117 
1 1 1   -7   26   19 o  107.839   11.206  148.145   29.736  173.296   38.998  113.213   45.961  116.199   13.703   92.021   20.523 24.17738 24.67771 
1 1 1   -7   26   20 o  363.767   13.119  1674.04  119.169  1705.01  166.327  1641.38  170.824  364.435   18.335  357.065   19.229 7.370361 26.56931 
1 1 1   -7   26   21 f  156.619   10.289  310.041   40.018  327.619   53.565  287.837   60.202  160.330   13.505  149.469   16.399 10.86089 21.24350 
1 1 1   -7   26   22 o  379.657   13.370  1824.09  126.755  1784.04  176.598  1866.65  182.044  372.465   19.050  380.925   19.199 -8.460266 27.04681 
1 1 1   -7   26   23 o  164.354   10.011  341.058   40.893  264.271   53.837  445.773   62.870  143.460   15.262  187.189   13.541 -43.72865 20.40349 
1 1 1   -7   26   24 o  249.449   11.250  784.361   70.080  815.276   95.951  749.013  102.600  252.876   15.266  241.702   17.109 11.17447 22.92998 
1 1 1   -7   26   25 o  248.921   13.302  786.164   82.385  686.664  136.871  842.694  103.167  228.301   24.385  256.779   16.172 -28.47754 29.26011 
1 1 1   -7   26   26 o  103.575   14.874  138.829   37.367  130.441   39.788  201.507  108.763   99.937   16.521  119.924   34.479 -19.98694 38.23275 
1 1 1   -7   26   27 o  166.899   10.633  352.211   44.086  338.071   58.247  371.173   67.454  162.624   14.495  170.020   16.079 -7.395065 21.64760 
1 1 1   -7   26   28 o  374.691   14.136  1780.43  132.266  1968.84  184.649  1581.89  189.551  391.655   18.880  348.845   21.870 42.81036 28.89166 
1 1 1   -7   26   29 o  312.447   15.003  1241.07  117.061  1366.82  138.660  929.107  218.406  326.629   17.059  258.912   34.649 67.71658 38.62083 
1 1 1   -7   26   30 o  110.988   14.865  159.275   40.164  149.715   43.030  223.965  111.935  107.091   16.630  125.571   34.592 -18.48006 38.38201 
1 1 1   -7   26   31 o  174.393   14.179  388.910   61.213  451.040   68.995  159.154  132.678  187.686   14.842  109.272   38.773 78.41392 41.51701 
1 1 1   -7   26   32 o  216.996   13.696  600.642   73.834  627.504   84.321  512.350  152.871  221.219   15.359  190.811   33.294 30.40775 36.66562 
1 1 1   -7   26   33 o   74.111   19.088   73.787   35.541   79.589   37.569   24.341  109.673   76.887   19.529   76.964   32.704 -0.7620239E-01 38.09140 
1 1 1   -7   26   34 o  204.935   17.757  546.639   89.975  689.172  111.322  278.108  152.798  229.271   19.633  134.541   41.417 94.72995 45.83475 
1 1 1   -7   26   35 o  187.988   17.173  460.717   79.726  551.151   95.991  259.589  143.153  204.815   18.984  129.656   40.118 75.15927 44.38242 
1 1 1   -7   26   36 o  187.984   13.193  453.767   61.541  437.691   68.391  522.171  141.075  183.857   15.027  191.154   30.585 -7.297592 34.07733 
1 1 1   -7   26   37 o   76.122   17.686   78.566   32.979   89.998   34.556 -38.1766  110.428   81.619   17.481   66.011   30.133 15.60786 34.83688 
1 1 1   -7   26   38 o  110.308   14.923  160.068   40.051  152.357   42.584  219.137  117.864  106.999   16.465  117.872   36.390 -10.87300 39.94210 
1 1 1   -7   26   39 o  145.600   15.822  279.531   56.601  313.544  120.451  269.892   64.121  141.632   34.399  141.661   18.574 -0.2925110E-01 39.09269 
1 1 1   -7   26   40 o   77.454   20.763   84.085   40.980  125.226  106.681   76.964   44.385   92.541   34.474   74.134   22.220 18.40682 41.01496 
1 1 1   -7   26   41 o  162.924   15.048  349.628   60.531  460.198  130.163  319.118   68.374  173.911   31.114  153.812   18.151 20.09927 36.02112 
1 1 1   -7   26   42 o  139.527   16.494  260.604   56.357  369.859  130.607  235.607   62.473  150.429   35.364  130.743   19.750 19.68604 40.50571 
1 1 1   -7   26   43 o   71.934   21.480   73.479   41.534  137.870  126.720   65.729   43.962   93.800   36.898   68.619   22.355 25.18105 43.14180 
1 1 1   -7   26   44 o   87.854   21.400  111.440   46.515 -102.7492  146.170  135.575   49.066   65.071   31.212   97.445   20.797 -32.37389 37.50580 
1 1 1   -7   26   45 o  116.695   19.993  192.678   56.166   0.0000   0.0000  192.678   56.166  ?   ?   116.695   19.993 0.000000 19.99342 
1 1 1   -7   27    1 o  136.532   11.495  238.553   38.828  231.931   62.299  242.758   49.651  131.686   19.537  136.676   14.783 -4.989700 24.49978 
1 1 1   -7   27    2 o  249.276   11.543  789.302   71.852  761.681  104.741  813.854   98.751  241.682   17.473  250.792   15.850 -9.109985 23.59033 
1 1 1   -7   27    3 o  141.115   11.331  254.138   39.592  217.433   60.340  281.887   52.465  127.719   19.540  147.719   14.406 -19.99940 24.27664 
1 1 1   -7   27    4 o   84.232   15.942   94.020   32.304  100.994   65.863   91.811   37.069   86.064   27.298   82.580   18.442 3.483368 32.94391 
1 1 1   -7   27    5 o   88.299   12.550  100.967   26.895  120.978   44.829   89.715   33.616   94.791   19.586   82.017   16.973 12.77376 25.91693 
1 1 1   -7   27    6 o  111.372   11.481  158.716   31.473  142.233   48.051  171.101   41.652  103.111   19.373  114.779   14.882 -11.66767 24.42916 
1 1 1   -7   27    7 o  107.997   11.599  149.342   30.791  139.378   46.343  157.217   41.198  102.276   18.839  109.828   15.449 -7.551704 24.36352 
1 1 1   -7   27    8 o  124.369   10.776  196.863   33.136  198.362   48.729  195.573   45.192  123.406   16.204  122.869   15.043 0.5360947 22.11037 
1 1 1   -7   27    9 o  130.402   10.511  216.028   33.938  185.365   48.335  245.845   47.663  119.118   16.709  138.296   13.994 -19.17716 21.79504 
1 1 1   -7   27   10 o   87.935   20.880  104.471   45.168   66.110   55.361  180.850   78.116   72.950   25.105  114.015   27.708 -41.06465 37.38977 
1 1 1   -7   27   11 o  152.767   16.060  301.615   60.350  292.620   78.386  314.707   94.570  148.386   21.804  152.261   25.793 -3.875320 33.77440 
1 1 1   -7   27   12 o  251.231   11.083  797.155   69.531  750.774   96.968  846.238   99.754  241.772   16.154  256.972   15.619 -15.19989 22.47017 
1 1 1   -7   27   13 o  216.662   10.555  592.115   57.109  642.380   79.190  537.645   82.435  224.327   14.210  204.436   16.283 19.89191 21.61103 
1 1 1   -7   27   14 o  192.798   10.383  469.934   49.805  471.062   68.597  468.675   72.429  191.937   14.417  191.165   15.301 0.7715302 21.02296 
1 1 1   -7   27   15 o  248.948   11.021  782.130   68.516  807.505   94.872  754.466   99.058  251.328   15.188  242.409   16.461 8.918732 22.39743 
1 1 1   -7   27   16 o  233.386   10.772  686.961   62.781  767.886   86.589  597.273   91.158  245.464   14.187  215.370   17.090 30.09431 22.21102 
1 1 1   -7   27   17 o  465.950   16.304  2772.59  189.711  2872.34  267.092  2671.03  269.508  469.295   22.791  450.953   24.019 18.34189 33.11118 
1 1 1   -7   27   18 o  203.424   10.534  522.888   53.329  547.498   72.241  493.416   79.057  207.228   14.043  195.969   16.303 11.25912 21.51691 
1 1 1   -7   27   19 o  270.784   15.536  936.881  104.617  933.184  147.874  940.585  148.029  267.023   22.383  268.127   22.311 -1.103912 31.60329 
1 1 1   -7   27   20 o  288.052   16.071  1061.25  115.144  1127.16  163.048  995.672  162.628  293.662   22.403  275.054   23.915 18.60840 32.76928 
1 1 1   -7   27   21 o   72.483   14.719   69.085   25.733   48.374   32.928  101.579   41.244   61.477   19.276   87.228   19.432 -25.75135 27.37154 
1 1 1   -7   27   22 o  154.603   10.419  302.419   39.991  278.248   52.785  334.987   61.270  147.333   14.536  161.551   15.373 -14.21794 21.15730 
1 1 1   -7   27   23 o  104.237   11.923  138.962   30.476  122.770   39.505  162.766   47.898   96.702   16.979  111.461   17.808 -14.75819 24.60489 
1 1 1   -7   27   24 o  448.170   15.513  2557.27  173.619  2623.74  243.189  2488.18  247.948  449.861   21.648  436.680   22.817 13.18085 31.45219 
1 1 1   -7   27   25 o  233.378   11.014  686.827   64.186  707.171   86.479  661.873   95.777  235.442   14.784  226.958   17.023 8.483536 22.54660 
1 1 1   -7   27   26 o  150.313   11.003  286.420   41.014  271.254   53.268  308.504   64.278  145.345   14.886  154.501   16.938 -9.156830 22.54967 
1 1 1   -7   27   27 o  210.566   10.901  560.617   57.125  537.080   75.970  591.242   86.655  204.958   14.946  214.634   16.289 -9.676483 22.10713 
1 1 1   -7   27   28 o  331.162   13.128  1389.84  108.569  1442.42  150.027  1332.04  157.310  334.751   18.014  320.688   19.740 14.06332 26.72335 
1 1 1   -7   27   29 o  230.652   11.262  671.867   64.868  714.214   87.410  619.958   96.778  236.374   14.885  219.034   17.849 17.33954 23.24070 
1 1 1   -7   27   30 o  146.401   11.006  272.163   39.942  283.997   52.229  255.492   61.989  148.751   14.234  139.811   18.186 8.940491 23.09399 
1 1 1   -7   27   31 o  114.048   11.914  166.439   33.430  162.665   43.123  172.122   52.920  111.689   15.911  113.887   19.297 -2.197685 25.01077 
1 1 1   -7   27   32 o  165.951   11.069  349.936   45.609  367.335   60.221  326.529   69.847  169.049   14.403  158.029   18.022 11.01999 23.06990 
1 1 1   -7   27   33 o  103.642   12.786  138.642   32.391  152.908   41.534  116.494   51.750  108.025   15.870   92.104   22.656 15.92026 27.66111 
1 1 1   -7   27   34 o  199.718   11.607  508.281   57.641  531.174   77.366  479.720   86.416  202.654   15.403  191.162   18.327 11.49202 23.94037 
1 1 1   -7   27   35 o  151.063   10.728  290.923   40.207  273.226   52.240  316.641   62.975  145.096   14.617  155.542   16.464 -10.44498 22.01583 
1 1 1   -7   27   36 o  131.166   11.551  220.818   37.448  254.699   48.739  171.993   58.509  140.039   14.131  111.785   21.743 28.25417 25.93087 
1 1 1   -7   27   37 o  156.113   11.086  312.092   42.936  332.140   56.847  285.464   65.514  159.733   14.406  146.147   18.356 13.58611 23.33450 
1 1 1   -7   27   38 o  127.922   11.615  210.984   36.700  203.083   47.749  222.391   57.369  123.856   15.798  128.450   18.412 -4.593788 24.26037 
1 1 1   -7   27   39 o  187.657   11.385  452.543   53.101  499.848   72.028  396.222   78.593  195.336   14.878  171.507   18.651 23.82898 23.85850 
1 1 1   -7   27   40 o   78.872   21.105   87.962   42.385   8.7053  101.786  104.587   46.619   68.315   30.226   85.750   21.741 -17.43522 37.23215 
1 1 1   -7   27   41 o  207.675   14.715  566.923   75.818  839.784  152.810  477.815   87.325  241.309   25.757  187.561   18.902 53.74841 31.94830 
1 1 1   -7   27   42 o   81.918   21.469   96.244   44.450  203.818  123.406   80.207   47.648  108.315   37.470   74.778   23.146 33.53724 44.04294 
1 1 1   -7   27   43 o   94.463   20.557  127.126   47.114  198.733  129.379  116.179   50.587  105.311   38.177   89.159   22.670 16.15205 44.40072 
1 1 1   -7   27   44 f   64.424   22.028   57.347   42.600  168.458  129.361   43.832   45.116   97.384   37.571   59.661   22.381 37.72236 43.73170 
1 1 1   -7   28    1 o   83.413   13.513   91.559   27.184  101.442   51.193   87.678   32.080   84.905   23.396   80.680   16.480 4.224251 28.61702 
1 1 1   -7   28    2 o   64.379   14.980   55.566   23.631   80.495   47.967   47.577   27.154   76.487   23.139   59.642   17.251 16.84491 28.86215 
1 1 1   -7   28    3 o  106.087   12.251  145.338   31.859  104.921   54.203  166.671   39.379   86.654   24.148  113.075   14.263 -26.42059 28.04553 
1 1 1   -7   28    4 o  197.380   11.040  495.998   54.196  462.031   80.287  524.431   73.456  187.860   17.309  201.501   14.700 -13.64119 22.70860 
1 1 1   -7   28    5 o  222.626   11.061  628.679   61.491  608.894   89.419  646.430   84.697  216.379   16.677  223.704   15.252 -7.324860 22.60012 
1 1 1   -7   28    6 o  159.671   14.414  328.990   56.855  272.541   91.538  364.443   72.544  139.563   27.243  166.804   17.686 -27.24106 32.48013 
1 1 1   -7   28    7 o  230.377   11.168  672.580   64.250  662.129   91.647  682.680   90.099  226.161   16.337  229.926   15.788 -3.764648 22.71923 
1 1 1   -7   28    8 o  101.453   12.636  132.783   31.320  155.391   48.044  116.074   41.303  108.108   18.459   93.133   18.412 14.97501 26.07177 
1 1 1   -7   28    9 o  253.639   11.102  814.360   70.320  843.076   99.516  785.724   99.379  255.919   15.647  246.756   16.218 9.163635 22.53564 
1 1 1   -7   28   10 o  178.127   10.979  402.828   48.598  345.266   68.748  460.321   68.706  162.884   17.160  189.280   14.650 -26.39558 22.56291 
1 1 1   -7   28   11 o  141.971   10.766  256.162   37.886  241.092   53.461  271.366   53.697  136.259   16.017  144.970   15.052 -8.710861 21.97994 
1 1 1   -7   28   12 o  255.281   13.163  830.335   83.628  836.182   99.367  816.137  154.840  255.122   15.673  246.448   25.530 8.673721 29.95707 
1 1 1   -7   28   13 o  204.740   15.971  539.847   81.010  498.230  106.433  597.161  124.902  193.820   22.403  211.470   24.082 -17.64999 32.89095 
1 1 1   -7   28   14 o  192.116   10.398  467.077   49.697  536.014   68.626  391.059   72.065  204.941   13.485  173.821   16.812 31.11983 21.55216 
1 1 1   -7   28   15 o  219.805   10.626  609.854   58.324  601.397   80.566  619.166   84.542  216.638   14.985  219.628   15.514 -2.990067 21.56927 
1 1 1   -7   28   16 o  111.522   11.691  158.958   32.075   80.581   42.672  260.767   48.634   77.428   21.370  142.590   13.832 -65.16167 25.45602 
1 1 1   -7   28   17 o  288.610   12.258  1054.69   88.349  1186.05  122.618  912.869  127.408  304.081   16.206  265.129   19.378 38.95218 25.26153 
1 1 1   -7   28   18 o  253.379   11.427  811.301   72.303  900.953   99.819  712.343  104.872  265.422   15.123  234.719   18.030 30.70226 23.53239 
1 1 1   -7   28   19 o  136.206   10.872  235.586   36.671  250.337   48.733  216.330   55.680  139.641   14.172  128.665   17.807 10.97552 22.75780 
1 1 1   -7   28   20 o  168.885   10.528  361.053   44.181  347.204   58.541  379.381   67.343  164.627   14.384  171.676   15.889 -7.049255 21.43257 
1 1 1   -7   28   21 o  215.799   14.321  594.633   76.734  615.678  108.815  573.816  108.224  217.229   20.295  209.348   20.984 7.881042 29.19258 
1 1 1   -7   28   22 o  208.935   14.271  557.435   74.011  547.424  104.926  567.348  104.411  204.513   20.836  208.466   20.315 -3.953171 29.10056 
1 1 1   -7   28   23 o  230.174   11.125  668.848   63.946  690.712   86.198  642.090   95.360  232.439   14.929  223.203   17.242 9.235504 22.80763 
1 1 1   -7   28   24 o  297.943   13.769  1127.31  102.443  1055.29  169.278  1168.93  128.683  282.468   24.233  301.548   17.160 -19.08020 29.69332 
1 1 1   -7   28   25 o  276.010   12.985  965.825   89.500  962.434  109.141  972.786  156.387  274.012   16.020  271.645   23.279 2.367004 28.25865 
1 1 1   -7   28   26 o  185.162   10.867  434.211   50.025  403.435   65.567  477.079   77.384  177.332   14.946  192.490   16.251 -15.15805 22.07834 
1 1 1   -7   28   27 o   77.149   15.387   78.529   28.603   87.828   36.093   62.828   46.901   81.067   18.267   70.209   23.101 10.85856 29.45007 
1 1 1   -7   28   28 o  189.639   10.813  455.647   50.995  411.398   66.560  518.531   79.348  178.940   15.035  200.686   15.965 -21.74651 21.93022 
1 1 1   -7   28   29 o  160.327   11.123  326.556   44.258  307.703   57.450  354.080   69.416  154.491   15.084  165.122   17.082 -10.63043 22.78817 
1 1 1   -7   28   30 o   94.484   13.588  115.895   31.138  118.889   39.488  110.974   50.632   94.674   17.341   90.090   22.557 4.584183 28.45226 
1 1 1   -7   28   31 f  179.408   11.073  409.163   49.367  384.262   64.660  443.964   76.440  172.502   15.164  184.863   16.740 -12.36104 22.58737 
1 1 1   -7   28   32 o  142.142   11.602  258.168   40.824  281.345   52.891  224.014   64.207  147.493   14.550  129.187   20.594 18.30608 25.21548 
1 1 1   -7   28   33 o  178.743   11.207  407.248   49.771  420.265   65.664  389.672   76.302  180.276   14.714  172.079   18.024 8.197372 23.26757 
1 1 1   -7   28   34 o  256.665   11.932  839.847   76.477  909.570  103.719  756.778  113.212  264.666   15.765  239.178   19.115 25.48886 24.77672 
1 1 1   -7   28   35 o  150.831   11.036  291.061   41.280  307.037   53.857  268.310   64.271  153.757   14.187  141.695   18.614 12.06175 23.40406 
1 1 1   -7   28   36 o  186.724   11.076  446.140   51.414  432.440   68.153  464.235   78.324  181.933   15.139  187.538   16.906 -5.604660 22.69369 
1 1 1   -7   28   37 o  157.413   11.466  318.643   44.761  324.408   58.867  310.742   68.918  157.151   15.190  151.979   18.544 5.171951 23.97093 
1 1 1   -7   28   38 o   92.945   12.892  113.389   29.117  101.837   36.138  134.764   49.157   86.375   17.357   98.170   20.703 -11.79489 27.01642 
1 1 1   -7   28   39 o  113.962   12.378  169.281   34.658  158.251   44.122  187.052   56.005  108.252   16.872  116.218   20.020 -7.965607 26.18135 
1 1 1   -7   28   40 o  124.234   12.138  200.845   37.174  223.208   48.252  168.191   58.307  129.602   15.198  108.608   22.247 20.99337 26.94221 
1 1 1   -7   28   41 o   75.947   21.983   82.781   44.078   45.981  110.079   89.808   48.103   75.117   32.359   78.723   23.016 -3.605789 39.70917 
1 1 1   -7   28   42 f   89.901   20.978  115.962   46.236  224.482  115.015   95.045   50.496  113.288   36.089   80.396   23.603 32.89242 43.12210 
1 1 1   -7   28   43 o   38.556   17.598 -17.7236   37.649  -1.6946  117.544 -19.5560   39.743   68.354   31.159   39.332   18.001 29.02246 35.98506 
1 1 1   -7   28   44 o   96.610   23.203  139.522   55.274   0.0000   0.0000  139.522   55.274  ?   ?    96.610   23.203 0.000000 23.20253 
1 1 1   -7   29    1 o   62.112   15.675   52.554   24.313   48.197   51.293   53.816   27.612   63.631   23.865   62.673   17.146 0.9579468 29.38621 
1 1 1   -7   29    2 o   81.042   22.230   92.846   46.341   96.985   61.631   87.463   70.290   82.353   26.437   79.730   28.229 2.622978 38.67556 
1 1 1   -7   29    3 o  105.602   12.125  144.583   31.394  148.718   54.666  142.548   38.348  103.210   21.889  103.763   15.255 -0.5530167 26.68022 
1 1 1   -7   29    4 o  231.871   11.413  685.739   66.083  737.969   97.954  642.112   89.525  237.245   16.639  221.444   16.304 15.80142 23.29550 
1 1 1   -7   29    5 o   79.701   14.968   84.476   28.697   67.031   50.467   92.811   34.885   71.306   23.977   82.890   17.407 -11.58389 29.62996 
1 1 1   -7   29    6 o  160.133   10.834  327.072   43.067  353.946   65.162  306.227   57.388  164.600   16.058  153.370   15.184 11.23033 22.09943 
1 1 1   -7   29    7 o  136.899   11.471  239.852   38.854  251.964   58.525  230.305   51.957  138.259   17.332  132.615   16.013 5.643509 23.59700 
1 1 1   -7   29    8 o   83.425   16.396   92.831   32.940  139.462   67.046   77.994   37.819   99.345   26.527   75.704   19.785 23.64090 33.09231 
1 1 1   -7   29    9 o  304.456   12.215  1179.40   92.866  1180.93  131.355  1177.87  131.311  301.232   17.538  300.828   17.556 0.4043579 24.81508 
1 1 1   -7   29   10 o  220.783   10.922  617.564   60.216  630.629   85.078  604.449   85.239  220.992   15.515  216.154   15.903 4.838089 22.21772 
1 1 1   -7   29   11 o  103.451   12.086  137.691   30.634  125.438   45.772  147.633   41.228   96.460   19.669  106.035   16.074 -9.574425 25.40178 
1 1 1   -7   29   12 o  211.097   10.837  565.378   56.936  556.162   79.938  574.865   81.112  207.642   15.529  211.138   15.492 -3.496475 21.93535 
1 1 1   -7   29   13 o   89.572   13.520  104.371   29.299   78.890   41.832  128.907   41.050   76.365   21.190   98.653   17.293 -22.28785 27.35114 
1 1 1   -7   29   14 o  205.350   10.886  534.816   55.624  498.646   76.450  575.503   81.082  196.614   15.702  211.403   15.466 -14.78894 22.03984 
1 1 1   -7   29   15 o  173.768   16.690  391.547   71.532  402.872   91.612  373.858  114.494  174.220   21.514  163.922   29.033 10.29790 36.13535 
1 1 1   -7   29   16 o  207.865   10.839  547.621   56.066  523.868   77.105  574.270   81.671  201.766   15.420  211.229   15.594 -9.463135 21.93036 
1 1 1   -7   29   17 o  340.094   13.191  1470.33  112.028  1549.97  156.205  1385.99  160.757  346.027   18.141  326.029   19.840 19.99789 26.88285 
1 1 1   -7   29   18 o   95.214   13.107  117.223   30.338  136.988   40.528   92.030   45.756  102.157   16.445   82.381   21.875 19.77600 27.36664 
1 1 1   -7   29   19 o  220.598   11.167  616.821   61.314  655.847   83.447  571.029   90.392  226.211   14.855  209.998   17.394 16.21312 22.87370 
1 1 1   -7   29   20 o  135.391   11.009  233.142   36.899  252.368   48.423  206.520   56.981  140.129   14.027  125.159   18.813 14.96990 23.46659 
1 1 1   -7   29   21 o  144.302   10.842  264.493   38.783  268.994   51.325  258.501   59.212  144.607   14.405  140.863   17.190 3.744492 22.42724 
1 1 1   -7   29   22 o  111.472   11.915  159.072   32.654  159.928   42.548  157.845   50.935  110.756   15.834  108.920   19.440 1.836105 25.07237 
1 1 1   -7   29   23 o  134.824   18.509  238.686   60.672   0.0000   0.0000  238.686   60.672  ?   ?   134.824   18.509 0.000000 18.50907 
1 1 1   -7   29   24 o  108.517   22.864  160.003   60.003  160.003   60.003   0.0000   0.0000  108.517   22.864  ?   ?  0.000000 22.86389 
1 1 1   -7   29   25 o  109.096   16.345  155.801   43.157  186.333   61.694  126.541   60.394  117.650   21.802   95.840   24.980 21.81064 33.15615 
1 1 1   -7   29   26 o  164.582   11.002  344.053   44.956  365.634   58.519  312.978   70.223  168.818   14.008  154.517   18.571 14.30101 23.26185 
1 1 1   -7   29   27 o  328.450   12.399  1369.90  101.700  1279.97  137.854  1477.29  150.649  314.370   17.631  337.589   17.934 -23.21887 25.14961 
1 1 1   -7   29   28 o  246.078   11.334  767.325   69.650  766.508   92.823  768.378  105.365  244.040   15.309  243.255   17.462 0.7845917 23.22230 
1 1 1   -7   29   29 o  130.242   11.715  216.990   37.693  200.883   47.778  243.539   61.341  124.069   15.778  135.734   18.585 -11.66550 24.37944 
1 1 1   -7   29   30 o  172.784   11.084  380.158   47.572  400.684   62.135  351.081   73.953  176.315   14.233  163.222   18.469 13.09242 23.31697 
1 1 1   -7   29   31 o  200.270   11.208  510.953   55.830  530.082   73.140  484.246   86.422  202.634   14.551  191.831   18.261 10.80273 23.34955 
1 1 1   -7   29   32 o   94.320   13.455  116.127   30.793  113.376   38.562  120.967   51.154   91.907   17.440   93.365   22.255 -1.457832 28.27438 
1 1 1   -7   29   33 o  222.995   11.367  635.123   63.087  631.095   83.520  640.476   96.268  220.317   15.275  220.523   17.629 -0.2061005 23.32597 
1 1 1   -7   29   34 o  197.077   11.098  496.606   54.396  545.227   71.711  430.718   83.479  205.085   14.088  179.525   18.905 25.55940 23.57673 
1 1 1   -7   29   35 o   81.479   13.923   87.988   27.312   77.910   33.722  107.204   46.564   75.328   18.143   87.401   21.486 -12.07269 28.12139 
1 1 1   -7   29   36 o   74.861   15.038   75.418   27.137   93.414   33.494   41.037   46.297   82.917   16.753   60.126   22.649 22.79098 28.17162 
1 1 1   -7   29   37 o   82.356   14.124   90.413   28.001   86.273   34.357   98.600   48.322   79.113   17.819   82.985   22.674 -3.872818 28.83788 
1 1 1   -7   29   38 o   53.613   16.059   38.610   23.188   32.126   27.486   54.617   43.189   50.855   17.679   64.187   22.169 -13.33288 28.35520 
1 1 1   -7   29   39 o  228.545   11.993  675.824   68.210  705.167   91.686  639.456  102.075  230.341   16.040  216.636   19.063 13.70535 24.91295 
1 1 1   -7   29   40 o   89.113   13.857  105.899   29.835  112.960   36.646   92.019   51.377   90.848   16.771   79.323   23.936 11.52415 29.22707 
1 1 1   -7   29   41 o  117.526   11.943  180.482   34.565  159.517   43.058  218.471   57.961  108.322   16.434  125.427   19.109 -17.10530 25.20402 
1 1 1   -7   29   42 o  100.280   21.195  145.092   51.414  140.858  118.368  146.076   57.080   91.790   35.791   99.222   23.414 -7.431961 42.76962 
1 1 1   -7   29   43 o   81.437   24.276  100.594   53.083   0.0000   0.0000  100.594   53.083  ?   ?    81.437   24.276 0.000000 24.27558 
1 1 1   -7   30    1 o   83.028   14.075   92.844   28.141  111.885   55.984   86.406   32.552   86.101   24.732   78.805   17.038 7.295998 30.03268 
1 1 1   -7   30    2 o   89.060   13.674  105.698   29.439  104.897   54.926  106.021   34.871   84.078   24.598   88.026   16.469 -3.948326 29.60202 
1 1 1   -7   30    3 o   97.977   13.489  126.861   32.127   99.837   57.854  138.910   38.630   82.467   25.501  101.647   15.727 -19.17989 29.96080 
1 1 1   -7   30    4 o   64.511   22.645   54.119   45.148   48.381   58.682   62.442   70.676   65.444   25.289   71.982   27.770 -6.537102 37.55962 
1 1 1   -7   30    5 o   33.719   14.008   4.4743   19.426   18.870   48.564   1.7321   21.196   53.918   22.252   33.868   14.384 20.05032 26.49637 
1 1 1   -7   30    6 o   58.504   16.250   46.167   24.589   28.054   49.130   52.220   28.402   57.030   22.801   62.050   17.547 -5.020027 28.77090 
1 1 1   -7   30    7 o   84.355   14.304   94.195   29.054   98.530   51.761   92.200   35.107   83.595   23.705   82.387   17.599 1.208130 29.52316 
1 1 1   -7   30    8 o   70.322   15.882   66.599   27.231   24.997   46.968   87.664   33.422   55.594   22.270   80.529   17.146 -24.93466 28.10534 
1 1 1   -7   30    9 o  193.182   10.986  475.979   52.781  541.596   76.658  416.832   72.780  204.231   15.139  178.370   16.527 25.86018 22.41274 
1 1 1   -7   30   10 f   34.868   14.893   0.4972   22.959   46.061   59.324  -7.5295   24.900   66.269   25.476   33.561   14.894 32.70810 29.51072 
1 1 1   -7   30   11 o   81.657   15.072   88.373   29.602  117.600   46.334   68.214   38.480   92.717   20.552   70.938   20.541 21.77945 29.05724 
1 1 1   -7   30   12 o   36.882   15.094   6.8929   22.110  -5.7888   38.831   12.977   26.896   43.116   18.887   42.384   16.895 0.7319489 25.34044 
1 1 1   -7   30   13 o  182.583   10.898  424.131   49.462  421.029   69.636  427.290   70.267  180.161   15.633  181.495   15.657 -1.334473 22.12564 
1 1 1   -7   30   14 o  181.201   10.731  417.354   48.341  452.436   67.607  380.656   69.147  187.324   14.567  171.003   16.394 16.32175 21.93067 
1 1 1   -7   30   15 o  149.714   10.978  285.499   40.757  273.234   56.563  298.743   58.778  144.890   15.894  151.622   15.754 -6.732376 22.37864 
1 1 1   -7   30   16 o  325.499   12.512  1348.08  101.699  1377.26  141.833  1317.20  145.903  325.687   17.503  317.802   18.464 7.885010 25.44200 
1 1 1   -7   30   17 o  298.128   18.999  1161.71  140.709  1386.09  190.842  894.425  208.286  321.636   23.932  249.263   34.377 72.37328 41.88662 
1 1 1   -7   30   18 o  143.474   13.625  264.843   48.229  282.373   77.673  253.844   61.528  144.866   22.177  138.863   18.180 6.002701 28.67604 
1 1 1   -7   30   19 o   94.080   13.425  114.955   30.645  157.367   40.901   60.669   46.273  109.795   15.336   68.850   22.960 40.94578 27.61052 
1 1 1   -7   30   20 f   66.198   16.363   58.580   26.895   51.682   35.424   67.968   41.324   63.116   20.020   71.334   21.454 -8.217686 29.34391 
1 1 1   -7   30   21 o   71.337   16.058   67.896   27.916   84.510   36.482   44.425   43.363   79.160   18.745   61.786   22.140 17.37386 29.00987 
1 1 1   -7   30   22 o  203.374   17.972  539.581   90.334   0.0000   0.0000  539.581   90.334  ?   ?   203.374   17.972 0.000000 17.97198 
1 1 1   -7   30   23 o   96.194   16.476  122.255   38.154  118.963   40.202  152.109  121.066   94.495   17.687  104.552   37.044 -10.05683 41.05019 
1 1 1   -7   30   24 o  217.147   11.209  599.151   60.572  637.596   80.715  549.588   91.645  222.702   14.594  205.110   18.077 17.59186 23.23335 
1 1 1   -7   30   25 o  248.551   11.328  783.544   70.308  776.497   93.885  792.542  106.090  245.379   15.400  246.884   17.318 -1.504242 23.17442 
1 1 1   -7   30   26 o  143.464   14.615  266.455   51.629  239.112   73.640  292.888   72.404  132.400   23.114  148.271   20.071 -15.87177 30.61180 
1 1 1   -7   30   27 o  109.081   16.525  156.980   43.603  196.512   63.292  121.268   60.155  120.145   21.903   93.065   25.245 27.07972 33.42176 
1 1 1   -7   30   28 o   75.832   19.451   78.333   37.012   54.795   54.768   98.119   50.213   68.045   24.813   84.158   23.163 -16.11300 33.94388 
1 1 1   -7   30   29 o  132.651   11.474  225.474   37.634  219.271   47.664  235.744   61.327  129.640   15.000  132.829   19.033 -3.188797 24.23328 
1 1 1   -7   30   30 o  198.620   11.104  503.347   54.854  506.889   71.404  498.248   85.685  197.815   14.557  194.370   17.853 3.444473 23.03533 
1 1 1   -7   30   31 o  121.188   11.954  189.311   35.705  221.518   45.443  137.357   57.717  130.389   14.185   98.686   23.715 31.70282 27.63413 
1 1 1   -7   30   32 o   71.315   15.571   68.509   26.952   58.894   32.907   88.106   46.977   65.780   18.981   79.338   22.612 -13.55798 29.52277 
1 1 1   -7   30   33 o  121.361   11.938  190.405   35.711  199.152   45.076  175.662   58.521  122.972   14.989  112.349   21.644 10.62255 26.32725 
1 1 1   -7   30   34 o   98.317   13.160  126.781   31.500  122.307   39.198  134.936   52.926   95.019   17.151   97.646   22.207 -2.626785 28.05897 
1 1 1   -7   30   35 o  115.942   12.608  175.275   35.916  177.805   45.363  171.025   58.795  115.252   16.210  109.960   22.177 5.291733 27.46962 
1 1 1   -7   30   36 o  141.295   11.592  258.295   40.542  236.395   51.587  293.671   65.564  133.153   15.824  147.137   18.235 -13.98416 24.14380 
1 1 1   -7   30   37 o   53.902   16.333   39.106   23.885   27.034   28.424   68.113   44.059   48.604   17.852   69.692   22.351 -21.08765 28.60504 
1 1 1   -7   30   38 o  162.847   11.579  343.515   46.781  344.017   60.652  342.778   73.500  160.856   15.283  158.025   19.007 2.831009 24.38921 
1 1 1   -7   30   39 o   47.117   16.000   28.096   22.474   19.775   25.900   53.451   45.210   44.118   16.863   63.567   22.625 -19.44926 28.21836 
1 1 1   -7   30   40 o   94.045   13.700  118.007   31.229  108.100   38.265  137.767   54.040   87.984   18.022   96.925   22.722 -8.940948 29.00144 
1 1 1   -7   30   41 o  146.779   11.594  280.838   42.149  250.799   53.777  328.683   67.868  136.018   16.148  154.575   17.914 -18.55676 24.11799 
1 1 1   -7   30   42 o  155.789   16.556  331.057   63.421  427.404  129.980  300.952   72.656  158.089   33.939  145.244   20.610 12.84517 39.70697 
1 1 1   -7   30   43 o   59.318   22.823   43.476   47.637   0.0000   0.0000   43.476   47.637  ?   ?    59.318   22.823 0.000000 22.82311 
1 1 1   -7   31    1 o  101.712   17.525  146.166   42.906   95.139  127.246  152.712   45.575   79.596   34.538  103.481   18.306 -23.88535 39.08935 
1 1 1   -7   31    2 o  109.322   12.990  159.271   34.767  212.960   63.152  135.922   41.647  120.449   21.798   98.383   17.598 22.06612 28.01499 
1 1 1   -7   31    3 o   65.020   16.079   58.927   25.961   23.355   53.069   70.118   29.766   55.270   23.072   70.635   17.066 -15.36415 28.69798 
1 1 1   -7   31    4 o   45.808   15.948   26.013   22.373   37.746   52.115   23.362   24.772   59.441   23.573   45.242   16.659 14.19884 28.86530 
1 1 1   -7   31    5 o   29.926   13.035  -2.0218   18.264   61.512   49.134 -12.2072   19.673   67.205   23.621   27.622   12.651 39.58304 26.79549 
1 1 1   -7   31    6 o   47.804   20.811   0.9136   46.498  -3.7801   56.203   11.096   82.778   50.943   22.504   62.950   27.575 -12.00721 35.59221 
1 1 1   -7   31    7 o  100.054   12.941  131.439   31.577  140.474   56.391  127.312   38.113   98.712   23.258   97.111   16.294 1.601204 28.39765 
1 1 1   -7   31    8 o  110.577   12.713  159.542   34.466  178.550   57.090  148.640   43.234  113.232   20.962  104.914   17.091 8.318359 27.04629 
1 1 1   -7   31    9 o   76.170   15.081   77.945   27.670   97.248   48.000   68.338   33.863   82.827   22.585   70.366   18.879 12.46054 29.43634 
1 1 1   -7   31   10 o  137.932   11.338  244.600   38.706  304.862   58.916  198.840   51.340  152.178   15.731  121.894   17.357 30.28370 23.42437 
1 1 1   -7   31   11 f   39.296   15.372   12.888   21.887   24.074   41.971   8.7098   25.652   53.210   21.138   39.715   16.256 13.49505 26.66601 
1 1 1   -7   31   12 o   87.838   16.858  103.799   35.632   78.947   68.727  112.935   41.670   77.739   27.872   90.961   18.960 -13.22182 33.70914 
1 1 1   -7   31   13 o   40.542   16.295   11.148   25.239   5.6567   57.475   12.460   28.093   54.634   23.456   42.691   17.180 11.94284 29.07465 
1 1 1   -7   31   14 o  111.434   12.241  160.378   33.501  142.024   49.033  176.448   45.880  102.071   19.952  115.523   16.361 -13.45204 25.80254 
1 1 1   -7   31   15 o  165.046   11.017  347.750   45.147  361.574   62.925  333.083   64.813  166.653   15.291  159.355   16.528 7.298233 22.51592 
1 1 1   -7   31   16 o   50.447   16.836   31.669   24.879   62.325   38.959   10.559   32.328   68.133   20.903   44.367   18.215 23.76509 27.72592 
1 1 1   -7   31   17 o  157.613   11.139  317.183   43.559  358.976   60.709  272.839   62.535  166.382   14.765  143.644   17.816 22.73849 23.13902 
1 1 1   -7   31   18 o  166.204   10.850  352.067   44.784  402.144   61.171  294.223   65.744  176.528   13.991  149.192   18.011 27.33594 22.80661 
1 1 1   -7   31   19 o   84.737   23.363   99.685   51.032   96.307   58.056  111.166  107.031   83.391   25.506   92.306   34.502 -8.914299 42.90656 
1 1 1   -7   31   20 f   82.757   23.438   94.839   50.635  107.228   57.740   53.589  105.358   87.573   25.106   79.715   32.823 7.857971 41.32340 
1 1 1   -7   31   21 o  192.911   13.372  478.396   64.022  504.502  104.517  462.717   80.996  193.559   22.015  187.828   17.469 5.731003 28.10371 
1 1 1   -7   31   22 o  171.505   11.316  375.435   48.192  425.403   63.509  307.608   73.994  181.539   14.120  151.637   20.031 29.90213 24.50771 
1 1 1   -7   31   23 o   71.981   16.276   69.629   28.570   60.418   36.446   84.312   46.015   67.073   20.142   78.270   22.404 -11.19740 30.12748 
1 1 1   -7   31   24 o  133.695   11.440  229.005   37.826  205.059   48.636  265.663   60.177  124.956   15.950  141.868   17.348 -16.91152 23.56602 
1 1 1   -7   31   25 o  158.029   11.237  319.216   44.054  336.496   57.504  294.663   68.545  161.078   14.449  148.708   18.884 12.36967 23.77798 
1 1 1   -7   31   26 o   57.433   17.026   43.819   26.166   46.166   32.924   39.795   43.111   59.623   19.342   59.408   21.958 0.2148323 29.26214 
1 1 1   -7   31   27 o   43.884   16.415   19.681   24.237   26.580   30.265   7.3464   40.469   49.663   18.390   47.424   19.994 2.239433 27.16461 
1 1 1   -7   31   28 o   49.522   16.866   30.161   24.973   30.302   31.177   29.910   41.715   51.608   18.736   55.197   21.324 -3.589287 28.38555 
1 1 1   -7   31   29 o   45.587   18.501   13.781   32.878 -16.3887   49.129   38.251   44.246   45.763   20.572   58.903   22.151 -13.14034 30.23000 
1 1 1   -7   31   30 o  132.722   15.633  232.454   50.820  225.025   76.177  238.412   68.221  125.513   25.180  131.438   21.531 -5.924866 33.13019 
1 1 1   -7   31   31 f   41.449   17.646   3.3364   32.038   15.484   50.909  -4.6294   41.226   53.932   22.563   44.241   19.418 9.691849 29.76790 
1 1 1   -7   31   32 o   70.488   15.772   67.505   27.068   84.881   33.157   32.788   46.866   78.699   17.339   57.419   22.484 21.27976 28.39361 
1 1 1   -7   31   33 o   70.530   15.653   67.689   26.850   54.636   32.593   95.251   47.361   63.136   19.068   81.558   22.515 -18.42231 29.50449 
1 1 1   -7   31   34 o   74.874   15.563   76.230   28.148   67.505   34.065   95.012   49.981   69.515   19.056   81.018   23.396 -11.50263 30.17452 
1 1 1   -7   31   35 o  175.044   11.331  395.783   49.265  380.583   63.174  419.371   78.698  169.483   15.084  175.737   18.196 -6.253952 23.63568 
1 1 1   -7   31   36 o   94.823   13.878  119.727   31.889  147.712   39.511   67.432   54.011  104.715   15.585   70.006   24.750 34.70979 29.24756 
1 1 1   -7   31   37 o   94.341   13.771  118.607   31.488  132.577   38.634   90.964   54.343   98.703   16.239   78.515   24.785 20.18792 29.63118 
1 1 1   -7   31   38 o   90.306   13.997  109.249   30.543  108.247   37.071  111.365   53.893   88.338   17.424   86.363   24.083 1.974823 29.72477 
1 1 1   -7   31   39 o   67.711   16.074   63.596   26.773   67.262   31.529   54.119   50.689   69.027   18.077   64.291   23.800 4.735695 29.88707 
1 1 1   -7   31   40 o  123.637   11.811  200.318   36.023  183.005   44.656  232.575   60.954  116.007   15.828  128.363   19.640 -12.35551 25.22442 
1 1 1   -7   31   41 f  103.271   13.065  142.145   32.940  132.357   40.115  162.409   57.717   97.498   17.100  104.378   22.783 -6.880699 28.48614 
1 1 1   -7   31   42 o   73.134   24.795   81.266   53.971   0.0000   0.0000   81.266   53.971  ?   ?    73.134   24.795 0.000000 24.79486 
1 1 1   -7   32    1 o   47.036   16.238   29.883   23.169   9.1349   56.303   34.112   25.421   50.586   22.426   49.683   17.016 0.9027443 28.15051 
1 1 1   -7   32    2 o   41.044   15.249   19.688   20.844   32.847   56.917   17.650   22.400   56.765   23.810   40.640   15.647 16.12513 28.49062 
1 1 1   -7   32    3 o   61.640   17.577   54.871   28.377  136.053  117.596   49.851   29.241   84.696   34.752   58.873   18.117 25.82287 39.19109 
1 1 1   -7   32    4 o   53.209   16.081   39.389   23.175   31.507   54.156   41.157   25.642   56.848   23.483   54.339   17.006 2.509392 28.99408 
1 1 1   -7   32    5 f   35.942   14.481   9.5738   19.987   22.892   52.373   7.3036   21.623   54.477   22.844   35.939   14.841 18.53757 27.24175 
1 1 1   -7   32    6 o   22.015   10.447 -17.8791   15.479 -29.4904   48.525 -16.5637   16.333   41.733   19.381   23.213   10.929 18.52008 22.24992 
1 1 1   -7   32    7 o   74.113   14.865   75.048   26.554  133.934   52.280   54.575   30.826   95.476   22.326   62.367   18.478 33.10970 28.98121 
1 1 1   -7   32    8 o   52.244   21.913   16.612   48.210   7.8304   57.988   36.267   86.754   53.729   23.314   67.844   28.964 -14.11550 37.18161 
1 1 1   -7   32    9 o   57.563   16.116   45.391   24.084   89.746   49.796   31.848   27.516   78.438   23.542   50.538   17.681 27.90055 29.44223 
1 1 1   -7   32   10 o   51.894   16.438   35.663   23.889   35.416   46.082   35.754   27.936   57.624   22.370   52.727   17.839 4.896961 28.61185 
1 1 1   -7   32   11 o   55.007   16.322   40.807   24.039   46.761   46.033   38.574   28.188   61.749   22.713   54.331   17.910 7.418026 28.92495 
1 1 1   -7   32   12 o   82.085   14.654   90.226   28.936   86.322   48.047   92.447   36.247   77.816   23.072   81.811   18.211 -3.994057 29.39341 
1 1 1   -7   32   13 o   89.398   13.863  105.792   29.947   93.528   48.087  113.561   38.275   81.029   22.803   91.318   17.420 -10.28880 28.69529 
1 1 1   -7   32   14 o  106.038   15.466  149.532   39.749  211.814   72.736  123.011   47.464  121.517   24.809   93.800   20.808 27.71632 32.37974 
1 1 1   -7   32   15 o   45.274   17.244   20.285   27.020   75.189   59.155   5.8097   30.374   74.638   25.936   41.336   17.368 33.30178 31.21438 
1 1 1   -7   32   16 o  120.586   12.223  188.280   36.299  199.392   52.713  178.259   50.058  121.790   17.863  114.967   18.029 6.823402 25.38004 
1 1 1   -7   32   17 o   35.878   15.162   2.7778   23.364   25.101   37.753 -11.0786   29.744   51.826   20.212   35.813   16.059 16.01341 25.81513 
1 1 1   -7   32   18 o   31.749   14.202  -8.5998   23.106   31.548   36.770 -34.8005   29.704   53.951   20.212   30.338   14.418 23.61219 24.82711 
1 1 1   -7   32   19 o  227.651   11.783  664.464   66.756  776.328   91.792  538.878   97.259  244.086   15.134  200.278   19.702 43.80798 24.84344 
1 1 1   -7   32   20 o  251.267   12.304  809.107   77.203  797.856  106.459  821.589  112.123  245.818   17.456  248.908   18.164 -3.090469 25.19244 
1 1 1   -7   32   21 o   79.109   23.774   87.713   50.760   99.064   56.604   41.098  114.708   83.576   25.103   77.998   33.302 5.578804 41.70350 
1 1 1   -7   32   22 o   95.940   24.848  131.869   60.005  131.869   60.005   0.0000   0.0000   95.940   24.848  ?   ?  0.000000 24.84788 
1 1 1   -7   32   23 o  115.607   12.567  173.371   35.695  161.587   46.533  190.220   55.640  109.650   17.589  118.252   19.524 -8.601898 26.27794 
1 1 1   -7   32   24 o  286.250   12.452  1051.62   89.013  1096.86  120.662  997.602  131.845  288.730   16.808  272.956   19.471 15.77383 25.72171 
1 1 1   -7   32   25 o   60.313   17.089   49.220   26.913   40.071   34.279   63.922   43.454   56.750   19.742   68.697   22.214 -11.94759 29.71889 
1 1 1   -7   32   26 o   97.381   13.606  124.622   32.183  123.859   40.884  125.864   52.183   95.489   17.801   94.324   22.474 1.164322 28.66952 
1 1 1   -7   32   27 f  223.677   11.347  641.841   63.173  648.124   83.331  633.350   96.871  222.518   15.086  217.887   17.964 4.631058 23.45800 
1 1 1   -7   32   28 o  130.885   11.443  221.063   37.025  218.083   47.173  225.844   59.753  128.540   14.977  128.723   19.174 -0.1821136 24.33013 
1 1 1   -7   32   29 o   85.577   14.348   97.611   29.577  113.852   36.861   68.256   49.557   91.636   16.725   70.612   23.760 21.02351 29.05620 
1 1 1   -7   32   30 o  119.405   11.870  185.133   34.925  186.764   44.028  182.365   57.358  118.510   15.230  114.184   20.885 4.326073 25.84850 
1 1 1   -7   32   31 o   97.424   13.165  125.138   31.207  125.233   38.529  124.956   53.212   96.005   16.676   92.872   23.052 3.133354 28.45157 
1 1 1   -7   32   32 o   41.664   17.811   3.4763   32.888 -33.1186   52.183   27.589   42.359   43.453   20.151   53.738   21.271 -10.28508 29.30083 
1 1 1   -7   32   33 o  180.838   15.071  433.870   67.441  464.261   99.151  407.703   92.002  180.966   22.421  169.625   22.257 11.34090 31.59199 
1 1 1   -7   32   34 o   46.097   19.002   13.788   35.362 -11.9379   56.647   30.214   45.264   49.143   22.090   55.321   21.960 -6.177986 31.14837 
1 1 1   -7   32   35 o   73.453   16.079   74.422   28.674   61.033   34.000  107.399   53.358   65.791   19.383   84.853   24.070 -19.06219 30.90396 
1 1 1   -7   32   36 o  143.569   11.979  269.161   42.556  270.864   53.581  266.252   70.040  142.081   15.345  136.786   21.190 5.295059 26.16268 
1 1 1   -7   32   37 o  128.449   12.023  216.121   38.117  205.528   47.212  235.955   64.600  123.264   15.694  128.697   20.811 -5.432716 26.06539 
1 1 1   -7   32   38 o  144.937   11.968  275.071   42.929  269.698   53.887  284.404   71.022  141.323   15.525  141.214   20.760 0.1087646 25.92306 
1 1 1   -7   32   39 o   57.250   16.463   45.655   24.794   44.824   28.673   48.120   49.369   56.895   18.008   61.477   23.334 -4.582268 29.47445 
1 1 1   -7   32   40 o   88.344   14.719  106.575   31.329  111.567   37.651   95.341   56.484   88.909   17.581   78.382   25.325 10.52734 30.82904 
1 1 1   -7   32   41 o   59.645   23.466   43.210   51.259   0.0000   0.0000   43.210   51.259  ?   ?    59.645   23.466 0.000000 23.46593 
1 1 1   -7   33    1 o   49.853   16.363   36.086   23.537  -0.5305   57.362   43.499   25.810   47.595   21.723   53.989   17.085 -6.394444 27.63671 
1 1 1   -7   33    2 o   33.543   13.936   6.9619   19.231   18.207   54.863   5.3868   20.534   51.150   22.427   33.680   14.223 17.47042 26.55637 
1 1 1   -7   33    3 o   42.734   15.542   23.090   21.469   21.595   56.161   23.346   23.233   52.788   22.925   43.402   16.104 9.386429 28.01614 
1 1 1   -7   33    4 o   42.364   15.593   21.918   21.702   32.242   60.730   20.407   23.237   56.879   24.257   42.142   16.005 14.73734 29.06133 
1 1 1   -7   33    5 o   57.328   18.059   47.567   28.862  -4.8405  112.130   51.285   29.868   62.126   29.053   59.261   18.323 2.864693 34.34851 
1 1 1   -7   33    6 o  103.977   13.082  145.915   33.216  197.072   61.644  124.986   39.430  113.588   22.528   93.441   17.542 20.14658 28.55246 
1 1 1   -7   33    7 o   54.594   16.270   41.813   23.847   97.804   53.909   28.191   26.590   78.678   24.664   47.603   17.300 31.07447 30.12621 
1 1 1   -7   33    8 o   65.594   15.460   60.172   24.909  160.175   52.489   31.106   28.298  104.491   20.847   49.650   17.876 54.84054 27.46129 
1 1 1   -7   33    9 o   54.843   16.747   41.631   25.042   46.718   51.978   40.093   28.577   61.377   23.777   54.341   18.039 7.035961 29.84577 
1 1 1   -7   33   10 f   41.368   19.209 -29.1971   47.642 -23.1252   54.790 -48.0192   96.465   45.759   21.014   56.753   26.670 -10.99435 33.95393 
1 1 1   -7   33   11 o   93.196   14.219  116.840   32.043  105.438   55.380  122.578   39.287   83.387   24.781   93.937   17.389 -10.54971 30.27345 
1 1 1   -7   33   12 o   82.232   14.837   91.740   29.347  144.616   50.208   64.300   36.168  100.530   20.690   67.293   20.033 33.23737 28.79914 
1 1 1   -7   33   13 o   61.730   17.195   52.873   27.489   45.319   59.761   54.900   30.959   63.802   25.262   62.767   18.497 1.035011 31.31005 
1 1 1   -7   33   14 o   74.465   15.454   75.692   27.796   96.708   47.094   64.456   34.433   81.559   22.425   67.698   19.382 13.86124 29.64030 
1 1 1   -7   33   15 f   51.246   16.402   34.665   23.737   93.627   43.644   9.8983   28.286   80.791   21.322   41.300   17.006 39.49107 27.27319 
1 1 1   -7   33   16 o  108.298   15.593  157.330   40.953  204.012   75.818  138.099   48.663  116.755   26.598   99.035   20.357 17.71974 33.49447 
1 1 1   -7   33   17 o  148.629   14.037  290.411   51.481  369.195   84.353  243.650   64.987  162.818   21.254  132.510   20.285 30.30775 29.38004 
1 1 1   -7   33   18 f  136.160   11.753  240.239   39.571  241.366   56.461  239.151   55.477  133.736   17.313  133.251   17.064 0.4850159 24.30857 
1 1 1   -7   33   19 o   45.487   16.756   22.961   25.066   19.462   39.557   25.309   32.402   50.168   20.317   49.434   18.870 0.7342873 27.72793 
1 1 1   -7   33   20 o  131.520   11.787  224.147   38.301  234.708   52.900  212.511   55.526  132.468   16.338  124.910   18.348 7.558029 24.56772 
1 1 1   -7   33   21 o  131.674   11.990  224.922   38.992  311.035   50.888  102.471   60.682  154.358   13.333   83.647   26.159 70.71055 29.36059 
1 1 1   -7   33   22 o   66.816   16.740   61.337   27.873   87.359   38.472   32.587   40.439   78.934   19.606   55.092   21.068 23.84123 28.77990 
1 1 1   -7   33   23 f   90.380   18.204  112.612   39.666  125.782   41.745  -9.7935  127.268   95.676   18.136   71.522   32.533 24.15366 37.24648 
1 1 1   -7   33   24 o  123.248   20.908  212.120   62.050  236.435   69.410  115.364  138.460  129.372   22.289   91.436   37.636 37.93564 43.74073 
1 1 1   -7   33   25 o   81.545   17.921   92.011   35.498   78.826   52.512  103.107   48.172   74.550   24.439   84.625   22.432 -10.07497 33.17366 
1 1 1   -7   33   26 o  104.427   12.780  143.134   32.632  147.950   42.157  135.935   51.541  104.478   16.722   97.590   21.710 6.887978 27.40341 
1 1 1   -7   33   27 o   81.444   15.012   89.576   29.407   95.153   37.159   80.229   48.106   82.603   18.477   74.786   23.275 7.817131 29.71721 
1 1 1   -7   33   28 o  135.683   11.845  239.350   39.731  232.529   50.493  250.440   64.380  131.827   15.644  134.326   19.785 -2.499634 25.22260 
1 1 1   -7   33   29 o  151.886   11.326  298.829   42.651  340.850   54.808  234.310   67.913  160.915   13.772  128.194   22.007 32.72195 25.96128 
1 1 1   -7   33   30 o   80.353   14.822   87.468   28.645   75.614   35.541  109.442   48.390   73.048   19.223   86.618   22.253 -13.57077 29.40609 
1 1 1   -7   33   31 o  104.453   12.466  143.630   31.873  157.054   39.697  119.273   53.470  108.036   15.129   89.618   23.576 18.41808 28.01249 
1 1 1   -7   33   32 o  147.875   11.432  284.382   41.889  312.106   52.710  236.859   69.010  153.529   13.899  127.969   22.412 25.55982 26.37191 
1 1 1   -7   33   33 o   96.046   13.521  123.113   31.531  124.878   38.701  119.630   54.381   95.111   16.914   89.224   23.919 5.887184 29.29505 
1 1 1   -7   33   34 o  132.390   12.100  229.800   39.562  242.420   49.231  206.793   66.472  134.389   14.922  118.350   23.321 16.03983 27.68623 
1 1 1   -7   33   35 o   55.306   20.442   37.850   37.366   1.9736   59.202   61.605   48.173   52.408   23.126   66.326   23.382 -13.91806 32.88668 
1 1 1   -7   33   36 o   40.268   17.917  -6.3882   36.262  -3.7746   59.454  -7.9364   45.758   51.210   22.853   44.666   19.982 6.544147 30.35646 
1 1 1   -7   33   37 o   59.836   21.487   48.069   40.863   50.224   67.252   46.809   51.450   65.400   26.489   61.339   23.686 4.061512 35.53414 
1 1 1   -7   33   38 o   58.110   16.802   47.450   25.763   34.525   29.565   88.229   52.514   51.667   18.306   75.874   24.408 -24.20739 30.51044 
1 1 1   -7   33   39 o   61.441   16.576   53.472   26.018   36.397   29.936  106.191   52.602   52.488   18.438   82.594   24.046 -30.10540 30.30120 
1 1 1   -7   33   40 o  146.841   17.454  302.322   62.747  226.565  104.935  344.485   78.285  108.695   34.455  153.294   21.003 -44.59899 40.35154 
1 1 1   -7   33   41 o   57.174   23.174   37.032   51.517   0.0000   0.0000   37.032   51.517  ?   ?    57.174   23.174 0.000000 23.17441 
1 1 1   -7   34    1 o   51.547   22.118   32.491   51.057   61.140   65.596 -11.5402   81.322   59.759   25.338   50.133   23.834 9.626270 34.78651 
1 1 1   -7   34    2 o   54.829   22.800   42.481   51.545   42.719   65.963   42.108   82.606   56.673   24.726   58.429   26.431 -1.755894 36.19387 
1 1 1   -7   34    3 o   45.893   15.874   29.632   22.148   19.422   57.842   31.387   23.975   51.133   22.696   47.085   16.503 4.048016 28.06200 
1 1 1   -7   34    4 o   55.027   16.384   44.976   24.190   92.619   60.123   35.774   26.423   71.247   25.995   49.905   17.334 21.34226 31.24452 
1 1 1   -7   34    5 o   61.033   16.627   55.325   26.029   83.812   62.732   49.401   28.608   69.160   26.290   57.345   17.965 11.81528 31.84215 
1 1 1   -7   34    6 o   79.091   19.045   95.228   37.164   2.7390  130.626  103.374   38.766   63.335   30.139   82.384   19.199 -19.04880 35.73433 
1 1 1   -7   34    7 o  112.960   16.273  181.437   44.578  385.580  124.670  151.510   47.733  135.804   36.130  100.261   19.768 35.54252 41.18435 
1 1 1   -7   34    8 o   73.208   16.047   76.779   28.527   94.408   57.710   71.079   32.817   75.256   25.639   69.042   18.611 6.214386 31.68164 
1 1 1   -7   34    9 o   31.400   13.560   0.5848   19.426   34.726   50.098  -5.4575   21.075   55.849   22.772   30.455   13.597 25.39319 26.52262 
1 1 1   -7   34   10 o   54.353   16.487   41.676   24.329   58.481   52.383   37.054   27.472   63.990   24.094   52.058   17.690 11.93200 29.89095 
1 1 1   -7   34   11 o   86.116   14.995  102.472   31.075  123.556   57.168   93.629   37.022   88.048   24.893   80.143   18.820 7.905838 31.20646 
1 1 1   -7   34   12 o   48.003   21.368  -2.0556   51.631   20.080   57.946 -87.3298  113.733   55.165   23.614   56.275   27.130 -1.110367 35.96786 
1 1 1   -7   34   13 o  135.047   11.847  239.983   39.548  259.386   61.263  226.120   51.783  135.680   18.569  128.027   16.587 7.652740 24.89816 
1 1 1   -7   34   14 f   50.406   16.658   33.922   24.379  111.510   46.926   5.2390   28.531   86.606   21.733   39.301   16.690 47.30457 27.40188 
1 1 1   -7   34   15 o   70.670   16.107   69.653   27.792   95.677   47.273   55.907   34.357   79.956   22.647   62.787   19.691 17.16893 30.01007 
1 1 1   -7   34   16 o   51.719   16.717   35.938   24.611   72.061   43.777   19.246   29.759   70.297   22.251   45.279   17.859 25.01810 28.53161 
1 1 1   -7   34   17 o   56.627   16.976   44.288   25.903   6.2090   43.548   65.138   32.224   47.245   20.352   67.727   18.520 -20.48176 27.51772 
1 1 1   -7   34   18 o  118.259   12.505  184.120   36.369  270.745   56.533  122.960   47.503  141.269   16.326   92.063   21.112 49.20567 26.68851 
1 1 1   -7   34   19 o   53.698   18.584   37.436   30.358   3.1686   67.126   46.247   34.038   55.696   24.599   58.500   19.691 -2.803913 31.50964 
1 1 1   -7   34   20 f   97.837   19.791  135.928   46.693  135.928   46.693   0.0000   0.0000   97.837   19.791  ?   ?  0.000000 19.79139 
1 1 1   -7   34   21 o   79.984   15.184   87.236   29.218   90.140   42.225   84.568   40.471   78.859   21.049   76.536   20.684 2.322571 29.51047 
1 1 1   -7   34   22 o   91.281   13.943  111.629   30.774  145.721   43.585   77.738   43.457  102.649   17.639   73.194   21.998 29.45462 28.19629 
1 1 1   -7   34   23 o  112.392   12.444  166.140   34.340  198.163   47.113  129.844   50.158  120.989   15.985   94.509   21.710 26.47984 26.95972 
1 1 1   -7   34   24 o   92.489   14.134  114.804   31.608  112.075   42.428  118.208   47.383   88.695   19.671   90.237   21.359 -1.542061 29.03762 
1 1 1   -7   34   25 o  116.173   12.606  177.740   35.985  206.153   47.216  138.367   55.581  123.563   15.653   96.553   23.316 27.01065 28.08268 
1 1 1   -7   34   26 o   94.268   22.808  131.407   53.109  122.596   57.297  185.151  141.514   89.901   24.742   99.742   39.067 -9.840683 46.24289 
1 1 1   -7   34   27 o   62.818   22.436   53.084   44.493   47.156   46.933  105.691  139.819   61.069   22.843   85.969   36.738 -24.89919 43.26044 
1 1 1   -7   34   28 o   49.612   17.312   31.260   26.369   6.3476   33.415   72.381   42.931   42.473   18.050   70.564   21.992 -28.09049 28.45081 
1 1 1   -7   34   29 o  220.621   11.384  632.676   62.503  647.476   81.384  611.394   97.592  220.154   14.891  209.901   18.818 10.25237 23.99746 
1 1 1   -7   34   30 o   52.529   17.541   36.786   27.008   38.406   33.304   33.675   46.158   54.551   19.418   56.103   22.205 -1.551964 29.49834 
1 1 1   -7   34   31 o   66.764   16.650   62.597   27.664   51.915   34.229   82.719   46.977   60.863   19.719   74.506   22.970 -13.64293 30.27295 
1 1 1   -7   34   32 o   61.482   16.986   53.184   26.944   61.764   32.811   35.416   47.218   65.685   18.953   56.801   22.466 8.884415 29.39287 
1 1 1   -7   34   33 o  100.260   13.154  134.289   32.139  118.055   39.290  167.118   55.872   91.502   17.836  106.610   21.724 -15.10871 28.10799 
1 1 1   -7   34   34 o  119.826   12.205  189.633   36.012  194.348   44.252  180.386   61.967  119.620   15.154  109.417   23.388 10.20261 27.86829 
1 1 1   -7   34   35 o  121.648   12.349  195.897   36.994  206.542   45.541  175.245   63.432  123.266   15.111  106.799   24.328 16.46626 28.63902 
1 1 1   -7   34   36 o   95.143   14.031  122.756   32.336  113.885   38.989  142.303   57.875   89.340   18.096   95.756   24.194 -6.416237 30.21305 
1 1 1   -7   34   37 o   82.645   21.110  102.426   43.723  138.388   71.312   80.765   55.346   90.673   28.358   72.400   25.091 18.27248 37.86450 
1 1 1   -7   34   38 o   56.305   21.370   40.575   41.408   13.404   67.474   56.989   52.446   56.042   24.712   63.757   24.085 -7.714123 34.50760 
1 1 1   -7   34   39 o   90.006   22.103  124.598   49.316  169.984   81.048   97.914   62.145   97.374   30.195   77.179   26.597 20.19495 40.23853 
1 1 1   -7   34   40 o   71.516   25.777   82.145   58.857   0.0000   0.0000   82.145   58.857  ?   ?    71.516   25.777 0.000000 25.77655 
1 1 1   -7   35    1 o   48.887   21.851   26.910   54.585  -3.9157   68.399   80.970   90.580   46.414   22.006   59.987   27.348 -13.57278 35.10181 
1 1 1   -7   35    2 o   50.090   22.100   29.290   54.043   51.256   67.882  -8.7304   89.309   56.043   24.745   50.305   24.199 5.738224 34.61063 
1 1 1   -7   35    3 o   44.130   20.461  -4.5517   53.755 -47.7709   66.703   75.518   90.791   42.094   20.411   62.078   27.930 -19.98346 34.59284 
1 1 1   -7   35    4 o   70.319   26.101   98.744   61.043  119.441   78.909   67.899   96.331   72.759   28.959   62.295   28.324 10.46359 40.50722 
1 1 1   -7   35    5 o   50.289   16.588   37.640   24.178   92.910   64.866   28.723   26.055   68.966   26.605   45.844   17.045 23.12254 31.59723 
1 1 1   -7   35    6 o  114.830   13.878  185.788   38.987  237.448   72.565  164.826   46.225  115.267   25.848  103.750   18.521 11.51746 31.79853 
1 1 1   -7   35    7 o   80.023   15.998   93.917   30.852  136.573   65.382   81.697   34.993   84.613   27.237   72.208   19.109 12.40572 33.27155 
1 1 1   -7   35    8 o   43.840   16.613   23.725   25.002   25.556  126.169   23.650   25.508   63.588   30.071   43.958   16.751 19.62982 34.42190 
1 1 1   -7   35    9 o   27.291   12.333  -6.7527   17.934   26.612   59.764 -10.0546   18.801   54.461   23.651   26.941   12.349 27.52048 26.68037 
1 1 1   -7   35   10 o   50.758   16.488   36.655   23.923   8.6447   53.181   43.761   26.786   49.179   21.799   54.774   17.412 -5.594345 27.89965 
1 1 1   -7   35   11 o   43.835   15.911   24.283   22.483   2.9187   51.761   29.251   24.961   47.782   21.323   47.056   16.805 0.7253990 27.14891 
1 1 1   -7   35   12 f   76.773   15.159   83.218   28.031  127.528   54.689   67.430   32.645   88.430   24.105   67.159   18.749 21.27183 30.53789 
1 1 1   -7   35   13 o   43.191   16.002   22.343   22.922   45.568   49.947   16.146   25.800   58.924   23.170   41.461   16.541 17.46277 28.46797 
1 1 1   -7   35   14 o   53.263   22.521   23.410   51.590   15.193   58.450   52.385  109.758   53.336   23.272   69.699   31.081 -16.36309 38.82792 
1 1 1   -7   35   15 o   27.324   12.388  -8.3011   18.262 -11.0498   44.362  -7.7402   20.039   42.583   19.307   28.972   13.070 13.61041 23.31469 
1 1 1   -7   35   16 o   86.224   14.575  102.384   30.265  120.982   50.619   92.036   37.757   88.479   22.775   79.057   19.295 9.422455 29.84943 
1 1 1   -7   35   17 o   30.208   13.447  -5.1754   20.451 -33.4035   43.986   2.6093   23.099   38.313   18.006   34.866   14.917 3.447540 23.38222 
1 1 1   -7   35   18 o   79.982   16.683   90.374   32.242   78.120   64.290   94.492   37.268   71.806   26.760   80.639   18.846 -8.833603 32.73014 
1 1 1   -7   35   19 o  124.977   18.935  222.579   57.243  222.579   57.243   0.0000   0.0000  124.977   18.935  ?   ?  0.000000 18.93474 
1 1 1   -7   35   20 o   50.899   17.117   34.717   25.720   57.554   42.453   21.474   32.329   63.466   21.976   46.841   18.570 16.62503 28.77139 
1 1 1   -7   35   21 o  164.967   13.916  364.321   56.792  538.587   94.095  264.461   71.229  194.653   19.626  133.866   22.077 60.78674 29.53930 
1 1 1   -7   35   22 o  117.798   12.371  183.904   35.849  219.620   50.858  148.635   50.539  126.128   16.547  100.686   20.789 25.44145 26.57011 
1 1 1   -7   35   23 f   78.650   15.609   85.885   29.575   70.074   42.242  101.089   41.422   68.867   21.864   83.007   20.179 -14.13927 29.75277 
1 1 1   -7   35   24 o   29.352   13.453 -12.9066   22.301 -20.3699   34.248  -7.4124   29.384   35.637   16.455   35.833   16.023 -0.1962509 22.96745 
1 1 1   -7   35   25 o   74.918   16.248   78.703   29.522   58.044   41.096  100.732   42.437   63.704   21.636   82.605   20.633 -18.90117 29.89722 
1 1 1   -7   35   26 o   85.485   15.097  100.505   31.050   87.035   41.516  117.603   46.774   76.521   21.062   88.942   21.334 -12.42124 29.97889 
1 1 1   -7   35   27 o   33.994   14.933  -2.7454   24.427  -3.0958   32.710  -2.3036   36.729   38.981   17.196   41.349   18.233 -2.368351 25.06260 
1 1 1   -7   35   28 o   88.792   19.092  113.837   41.074  110.083   42.515  166.427  159.120   86.712   20.037   91.756   39.201 -5.044449 44.02443 
1 1 1   -7   35   29 o   97.579   22.275  143.162   53.083  134.817   56.024  216.443  166.019   93.407   23.915   98.592   40.952 -5.184586 47.42405 
1 1 1   -7   35   30 o   62.508   19.147   56.209   32.701   73.098   45.562   38.266   46.963   69.885   22.758   57.169   22.471 12.71623 31.98193 
1 1 1   -7   35   31 o   51.738   17.473   36.029   26.800   52.770   33.332   5.4198   45.073   60.771   19.435   47.081   20.492 13.69072 28.24298 
1 1 1   -7   35   32 o   99.676   13.591  134.106   32.948  135.087   40.650  132.228   56.252   97.923   17.254   92.045   24.165 5.877754 29.69292 
1 1 1   -7   35   33 o  146.764   11.780  284.029   42.808  321.398   53.653  218.569   71.011  154.478   14.062  118.461   24.800 36.01699 28.50995 
1 1 1   -7   35   34 o  104.099   13.309  146.057   33.804  150.138   41.572  138.090   58.079  103.532   16.643   93.408   24.570 10.12424 29.67620 
1 1 1   -7   35   35 o   78.517   15.765   86.603   29.836   89.483   36.040   80.329   53.188   78.218   18.704   71.800   24.613 6.417961 30.91354 
1 1 1   -7   35   36 o   54.207   17.334   41.373   26.514   51.467   31.312   15.797   49.843   59.616   18.813   50.927   21.853 8.688156 28.83553 
1 1 1   -7   35   37 o   53.315   17.434   39.930   26.729   28.122   31.249   72.123   51.599   48.583   18.534   68.246   24.184 -19.66337 30.46920 
1 1 1   -7   35   38 o   38.250   15.708   10.554   24.053  -2.0489   27.451   52.211   49.908   35.749   15.763   60.940   23.382 -25.19021 28.19866 
1 1 1   -7   36    2 o   40.980   19.534 -13.1432   55.374   2.2857   68.351 -42.6077   94.456   45.645   21.743   45.408   22.469 0.2368507 31.26681 
1 1 1   -7   36    3 o   72.243   26.842  125.849   64.591   97.290   82.228  171.863  104.374   61.733   27.247   70.504   30.922 -8.771431 41.21400 
1 1 1   -7   36    4 o   57.966   24.276   65.171   59.020   70.176   74.169   56.530   97.453   58.732   25.903   57.114   26.829 1.618504 37.29236 
1 1 1   -7   36    5 o   45.553   21.165   0.4908   57.984 -34.6331   68.712   87.370  108.066   43.555   21.020   62.259   28.916 -18.70463 35.74940 
1 1 1   -7   36    6 o   46.116   16.318   31.101   23.485   87.040   64.529   22.561   25.214   65.307   26.123   42.255   16.507 23.05237 30.90175 
1 1 1   -7   36    7 f   35.918   14.751   11.166   21.212   21.459   60.898   9.7446   22.630   51.010   22.919   36.019   15.054 14.99127 27.42089 
1 1 1   -7   36    8 o   63.503   16.983   62.062   27.455  108.602   62.613   50.984   30.548   73.889   26.591   56.887   18.640 17.00115 32.47356 
1 1 1   -7   36    9 o   36.196   14.780   11.235   21.144  -1.8734   59.227   13.150   22.635   47.366   21.787   37.748   15.340 9.617802 26.64569 
1 1 1   -7   36   10 o   56.685   18.332   49.266   29.594   31.763  123.144   50.339   30.487   62.498   29.601   57.161   18.616 5.337467 34.96810 
1 1 1   -7   36   11 o   71.255   16.577   75.528   28.940  135.392   63.827   60.036   32.470   85.071   26.861   62.075   19.089 22.99595 32.95368 
1 1 1   -7   36   12 o   61.620   16.770   56.612   26.494   49.141   56.010   58.766   30.072   58.900   24.054   62.077   18.212 -3.177807 30.17073 
1 1 1   -7   36   13 o   31.393   13.491   2.0507   19.045   55.009   50.593  -6.6920   20.556   60.449   23.447   29.366   13.244 31.08370 26.92873 
1 1 1   -7   36   14 o   47.968   16.430   31.812   23.701  -3.4314   51.204   41.421   26.737   45.917   20.787   53.437   17.435 -7.520279 27.13092 
1 1 1   -7   36   15 o   55.994   17.080   45.788   26.056   25.788   51.470   52.680   30.214   52.809   22.421   59.447   18.437 -6.638092 29.02769 
1 1 1   -7   36   16 o   46.903   21.147  -2.4576   52.372  -5.0869   57.795   9.6128  123.832   48.279   21.946   64.299   30.216 -16.01982 37.34502 
1 1 1   -7   36   17 o   65.940   18.012   64.467   30.499   57.080   64.706   66.578   34.582   63.776   25.928   66.319   19.551 -2.542961 32.47311 
1 1 1   -7   36   18 o   63.123   23.408   59.304   49.074   59.304   49.074   0.0000   0.0000   63.123   23.408  ?   ?  0.000000 23.40807 
1 1 1   -7   36   19 o   49.644   16.873   33.685   24.994   42.172   46.771   30.293   29.571   57.207   22.444   48.930   18.166 8.277405 28.87458 
1 1 1   -7   36   20 o  101.702   13.312  140.562   32.996  188.864   52.406  108.837   42.472  113.624   19.151   84.878   20.310 28.74601 27.91499 
1 1 1   -7   36   21 o   65.879   16.749   62.619   27.616   50.768   45.191   69.682   34.888   60.144   22.431   68.282   19.496 -8.137787 29.71940 
1 1 1   -7   36   22 o   38.296   15.672   10.658   23.837 -27.5548   40.414   31.045   29.519   37.256   17.429   49.429   18.187 -12.17368 25.18998 
1 1 1   -7   36   23 o   57.330   18.668   47.064   30.657  125.369   67.627   26.809   34.395   85.593   27.716   49.099   19.252 36.49330 33.74633 
1 1 1   -7   36   24 o  105.813   13.362  151.584   34.520  163.905   49.245  139.683   48.402  105.906   19.333   96.553   20.697 9.353119 28.32155 
1 1 1   -7   36   25 o   61.305   17.551   54.339   28.236   45.100   41.129   62.576   38.832   57.703   21.424   64.783   21.005 -7.079857 30.00290 
1 1 1   -7   36   26 o   35.555   15.201   3.2860   23.960 -28.9965   35.818   29.432   32.234   34.514   16.229   49.571   18.845 -15.05704 24.87015 
1 1 1   -7   36   27 o   70.618   16.690   71.416   28.966   79.086   40.112   63.056   41.873   72.238   20.988   65.010   21.841 7.227837 30.29075 
1 1 1   -7   36   28 o  103.357   13.683  145.098   34.449  140.114   45.914  151.517   52.107   97.708   19.501  100.148   21.480 -2.440102 29.01132 
1 1 1   -7   36   29 f   69.825   17.182   70.330   29.755   73.151   38.862   66.334   46.259   69.640   20.774   66.359   22.942 3.281097 30.94967 
1 1 1   -7   36   30 o  130.786   15.789  237.087   50.523  246.786   52.463  113.189  187.506  133.206   16.098   82.191   38.145 51.01548 41.40283 
1 1 1   -7   36   31 o   46.789   19.845   13.470   40.256   19.111   41.245 -99.9241  184.938   48.820   20.356   66.375   32.569 -17.55489 38.40749 
1 1 1   -7   36   32 o   55.451   18.967   43.229   31.586   23.313   41.248   71.462   49.112   50.033   20.562   68.071   23.633 -18.03807 31.32582 
1 1 1   -7   36   33 o   75.482   16.699   81.853   30.642  104.855   37.926   38.615   51.998   84.545   18.480   57.339   23.268 27.20658 29.71370 
1 1 1   -7   36   34 o  105.450   13.382  151.319   34.445  150.309   42.197  153.338   59.633  102.583   17.072   97.224   24.555 5.358719 29.90700 
1 1 1   -7   36   35 o   46.886   17.288   27.724   26.692   15.296   31.496   59.400   50.282   43.489   17.931   63.194   23.643 -19.70457 29.67333 
1 1 1   -7   36   36 o   32.256   14.398  -5.0801   23.620  -2.8199   27.177 -12.0586   47.753   35.231   15.602   43.287   19.782 -8.055225 25.19366 
1 1 1   -7   36   37 f   38.268   15.825   10.386   24.633   28.762   28.748 -40.3813   47.783   47.668   17.869   38.286   18.221 9.382439 25.52084 
1 1 1   -7   37    4 o   44.752   21.098   10.124   61.242   11.029   76.796   8.5426  101.498   46.911   22.533   48.889   24.017 -1.978813 32.93307 
1 1 1   -7   37    5 o   61.051   25.985   93.880   69.440   56.077   83.157  180.964  126.214   53.952   25.160   65.280   30.622 -11.32780 39.63277 
1 1 1   -7   37    6 o   42.412   20.360 -20.5479   62.497 -26.0881   73.005  -5.3506  120.912   44.087   21.371   51.811   25.598 -7.723946 33.34636 
1 1 1   -7   37    7 o   55.053   24.012   53.026   62.164   65.013   72.289   19.000  121.797   57.611   25.482   54.732   26.767 2.878628 36.95668 
1 1 1   -7   37    8 o   62.855   17.009   63.028   27.347  106.886   64.856   53.544   30.159   69.250   26.634   56.886   18.515 12.36407 32.43740 
1 1 1   -7   37    9 o   45.135   16.456   29.292   24.087 -23.6294   63.367   38.230   26.042   43.815   20.889   49.852   17.215 -6.037094 27.06847 
1 1 1   -7   37   10 o   37.185   14.922   14.265   21.128   43.186   61.447   10.388   22.499   55.172   23.970   36.132   15.048 19.03963 28.30208 
1 1 1   -7   37   11 o   24.546   11.431 -12.1616   17.074 -33.0598   56.051 -10.0241   17.926   41.057   19.594   25.897   11.939 15.16067 22.94487 
1 1 1   -7   37   12 o   36.256   14.980   10.565   22.044   76.123  124.285   8.4351   22.399   65.371   30.576   35.567   14.928 29.80403 34.02563 
1 1 1   -7   37   13 f   27.217   12.371  -7.3446   18.363 -38.9513  118.875  -6.5720   18.586   55.184   26.869   27.645   12.519 27.53967 29.64227 
1 1 1   -7   37   14 o   27.358   12.341  -5.8735   17.859 -47.0816   52.525  -0.4868   18.990   38.537   18.543   30.156   13.209 8.381695 22.76641 
1 1 1   -7   37   15 o   39.676   15.626   16.822   22.750   30.910   54.465   13.845   25.039   53.485   22.895   39.367   16.081 14.11872 27.97767 
1 1 1   -7   37   16 o   32.847   14.155   2.5399   21.082 -12.6890   62.896   4.4675   22.377   47.516   22.066   34.382   14.695 13.13387 26.51147 
1 1 1   -7   37   17 o   39.593   18.720 -32.0947   48.851 -32.0947   48.851   0.0000   0.0000   39.593   18.720  ?   ?  0.000000 18.72012 
1 1 1   -7   37   18 f   59.220   24.010   49.288   55.316   35.226   61.023  114.097  131.004   56.591   24.229   74.732   33.593 -18.14065 41.41925 
1 1 1   -7   37   19 f   25.073   11.776 -16.5585   18.761  -2.2920   46.132 -19.3854   20.535   44.183   19.891   25.827   12.189 18.35538 23.32827 
1 1 1   -7   37   20 o   83.655   15.209   99.466   30.602  140.381   52.757   78.720   37.568   93.111   22.858   71.084   20.208 22.02714 30.51009 
1 1 1   -7   37   21 o   67.848   16.453   67.236   27.589  147.830   48.663   29.063   33.491   98.089   20.526   48.963   19.053 49.12596 28.00590 
1 1 1   -7   37   22 o   58.227   16.789   49.585   25.755   93.733   45.335   28.546   31.296   76.352   22.350   48.239   18.514 28.11250 29.02205 
1 1 1   -7   37   23 o   46.523   16.759   28.293   24.877  -2.9490   43.085   43.918   30.469   43.138   19.337   55.128   18.630 -11.98997 26.85188 
1 1 1   -7   37   24 f   41.989   16.336   18.986   24.617  -0.2967   41.438   29.502   30.602   43.099   19.166   48.565   18.386 -5.465843 26.55905 
1 1 1   -7   37   25 o   32.347   14.685  -9.7064   25.777   3.6054   65.789 -12.1206   28.017   52.382   23.652   33.163   15.154 19.21887 28.08992 
1 1 1   -7   37   26 o   65.587   19.424   65.080   34.067  178.824   72.994   33.405   38.519  100.544   28.024   52.125   20.392 48.41874 34.65762 
1 1 1   -7   37   27 o   37.755   15.798   8.3758   24.963   11.050   37.990   6.3441   33.116   44.713   19.130   41.190   17.746 3.522430 26.09342 
1 1 1   -7   37   28 o  114.193   12.941  176.998   36.252  202.516   49.775  148.173   52.903  118.733   17.296   97.088   22.291 21.64529 28.21444 
1 1 1   -7   37   29 o   65.443   17.778   63.427   29.808   78.888   41.406   46.797   42.944   70.920   21.508   57.754   21.800 13.16564 30.62441 
1 1 1   -7   37   30 o   50.595   17.776   35.178   27.825   24.111   37.448   48.820   41.578   48.524   19.726   58.285   21.560 -9.760864 29.22194 
1 1 1   -7   37   31 o   76.534   17.012   85.523   31.670   77.881   40.982   96.851   49.899   70.377   21.410   76.771   23.674 -6.393387 31.91922 
1 1 1   -7   37   32 o   36.256   15.660   3.0009   25.919   24.810   32.626 -34.3107   42.675   47.138   18.665   36.796   17.427 10.34219 25.53609 
1 1 1   -7   37   33 o   49.569   20.197   26.257   39.370   25.920   40.019   36.416  219.524   49.648   20.311   72.821   35.682 -23.17330 41.05735 
1 1 1   -7   37   34 f   49.412   19.961   27.255   38.081   28.837   38.593 -31.2122  234.574   50.087   20.143   69.731   34.661 -19.64447 40.08880 
1 1 1   -7   37   35 o   55.782   18.002   46.095   28.547   46.244   34.667   45.781   50.315   56.004   19.825   57.623   23.061 -1.619247 30.41151 
1 1 1   -7   38    6 o   53.109   24.004   68.226   67.963  -6.4423   78.881  283.340  133.887   44.292   21.636   68.333   31.887 -24.04173 38.53392 
1 1 1   -7   38    7 o   62.312   26.497  110.962   72.088  127.373   83.888   64.624  140.960   62.905   27.652   53.508   26.641 9.396843 38.39764 
1 1 1   -7   38    8 o   44.291   20.953   2.3872   61.346   0.5545   70.128   8.3602  126.604   45.544   21.785   51.386   25.529 -5.842564 33.56046 
1 1 1   -7   38    9 f   59.076   25.130   78.547   64.883  127.364   74.659 -72.1204  131.160   68.572   27.861   48.586   24.409 19.98667 37.04133 
1 1 1   -7   38   10 o   29.971   13.231   0.3846   19.400   24.329   65.235  -1.9386   20.320   49.593   22.832   29.757   13.314 19.83597 26.43014 
1 1 1   -7   38   11 o   37.607   15.160   15.610   21.915   39.037   64.427   12.545   23.304   52.742   23.644   36.858   15.329 15.88434 28.17882 
1 1 1   -7   38   12 o   30.733   13.546   0.2704   20.257   52.302   62.814  -5.7692   21.401   55.957   24.273   29.500   13.388 26.45748 27.72086 
1 1 1   -7   38   13 o   31.357   13.646   2.1593   19.978   16.838   58.224   0.2005   21.269   48.824   22.129   31.463   13.874 17.36148 26.11844 
1 1 1   -7   38   14 o   33.573   14.355   5.4930   21.369 -78.6228  131.250   7.7835   21.658   52.121   25.910   34.632   14.615 17.48936 29.74808 
1 1 1   -7   38   15 o   44.869   17.099   27.003   26.578   0.0000   0.0000   27.003   26.578  ?   ?    44.869   17.099 0.000000 17.09880 
1 1 1   -7   38   16 o   44.704   20.784  -9.4844   56.052  -9.4844   56.052   0.0000   0.0000   44.704   20.784  ?   ?  0.000000 20.78385 
1 1 1   -7   38   17 o   41.084   15.891   20.214   23.190   2.4475   55.836   23.917   25.493   46.951   21.431   43.499   16.706 3.452065 27.17276 
1 1 1   -7   38   18 o   52.478   17.241   41.357   26.128   6.3857   55.207   51.451   29.659   47.745   21.602   57.547   18.326 -9.801456 28.32841 
1 1 1   -7   38   19 o   73.223   16.811   80.671   30.090  130.065   58.214   62.663   35.150   84.153   25.498   62.508   19.955 21.64437 32.37838 
1 1 1   -7   38   20 o   84.039   27.391  136.435   65.999  146.201   72.662   90.396  157.768   85.044   28.770   69.607   33.123 15.43733 43.87311 
1 1 1   -7   38   21 o   33.654   14.541   2.7480   22.366 -19.7853   48.828   8.7311   25.161   41.288   19.263   37.421   15.770 3.867611 24.89502 
1 1 1   -7   38   22 o   57.586   17.474   50.055   27.326   63.360   48.614   43.910   33.039   62.407   23.267   54.364   19.342 8.042179 30.25708 
1 1 1   -7   38   23 o   66.629   17.217   66.848   28.851   57.179   48.475   72.152   35.903   60.439   23.078   67.510   19.926 -7.071568 30.49008 
1 1 1   -7   38   24 o   43.080   16.430   22.433   24.553   33.783   45.051   17.637   29.285   52.637   21.543   42.733   17.416 9.904152 27.70247 
1 1 1   -7   38   25 o   74.559   16.468   81.920   29.843   87.089   48.137   78.693   38.035   71.727   23.394   70.291   20.442 1.436302 31.06659 
1 1 1   -7   38   26 o   32.509   14.412  -2.5933   23.254  -7.9049   41.765  -0.2068   27.995   40.911   18.620   36.105   15.919 4.805840 24.49708 
1 1 1   -7   38   27 o   40.818   17.060   12.498   29.066 -24.3046   72.557   19.533   31.722   48.827   23.003   44.391   18.113 4.436863 29.27788 
1 1 1   -7   38   28 o   42.104   17.612   13.836   31.012   12.310   74.018   14.161   34.155   54.518   24.803   43.465   18.348 11.05294 30.85198 
1 1 1   -7   38   29 f   79.101   16.759   92.374   32.074   72.178   45.076  113.087   45.650   66.228   22.659   83.489   21.697 -17.26096 31.37160 
1 1 1   -7   38   30 o   51.287   17.814   37.873   27.905   30.680   40.060   44.653   38.894   50.571   20.458   55.349   20.777 -4.778664 29.15812 
1 1 1   -7   38   31 o   75.258   17.338   84.963   31.914   63.801   43.255  110.245   47.278   62.852   22.156   81.417   22.503 -18.56441 31.57998 
1 1 1   -7   38   32 o   36.209   15.718   3.2948   26.376   28.712   35.922 -26.4404   38.854   48.736   19.492   35.743   16.837 12.99298 25.75720 
1 1 1   -7   38   33 o   56.556   18.159   48.635   29.077   34.591   37.531   69.717   45.985   51.085   20.085   64.650   22.839 -13.56487 30.41441 
1 1 1   -7   39   10 o   49.493   22.831   42.720   65.686   44.469   73.608   35.886  145.542   50.058   23.451   51.373   25.796 -1.315559 34.86243 
1 1 1   -7   39   11 o   60.543   26.061   99.138   71.298   92.526   81.105  121.623  149.572   58.075   26.238   57.120   28.267 0.9547462 38.56734 
1 1 1   -7   39   12 o   23.616   11.136 -13.6955   17.081 -34.1387   65.446 -12.2011   17.694   40.900   19.919   24.516   11.489 16.38392 22.99475 
1 1 1   -7   39   13 o   54.865   17.939   51.084   28.299   53.383   69.657   50.629   30.970   54.007   24.366   54.070   18.768 -0.6277847E-01 30.75579 
1 1 1   -7   39   14 o   79.966   18.224  105.755   35.580   19.384   79.533  127.366   39.783   50.545   23.894   87.361   18.794 -36.81648 30.39955 
1 1 1   -7   39   15 o   58.027   24.872   66.524   64.439   66.524   64.439   0.0000   0.0000   58.027   24.872  ?   ?  0.000000 24.87234 
1 1 1   -7   39   16 f   53.180   18.082   46.001   28.705  151.096  138.228   41.265   29.344   66.667   31.511   50.830   18.213 15.83720 36.39630 
1 1 1   -7   39   17 o   46.755   17.379   32.288   27.082   14.062  132.116   33.088   27.669   56.565   27.709   47.186   17.561 9.379292 32.80534 
1 1 1   -7   39   18 o   51.638   17.412   41.742   26.615   26.410   59.285   45.612   29.785   50.775   22.728   53.374   18.412 -2.599216 29.24948 
1 1 1   -7   39   19 o   35.285   14.785   9.2291   21.914   52.801   57.302   1.7649   23.717   56.715   23.844   33.511   14.718 23.20428 28.02082 
1 1 1   -7   39   20 o   65.858   17.398   68.251   29.041  104.293   59.262   56.860   33.315   71.876   25.870   58.798   19.475 13.07818 32.38096 
1 1 1   -7   39   21 o   33.590   14.557   3.5080   22.551   1.0892   53.908   4.0211   24.828   45.549   20.890   35.026   15.227 10.52280 25.85104 
1 1 1   -7   39   22 o   58.396   24.331   55.646   58.863   43.415   62.551  150.281  173.995   55.863   24.227   70.060   33.720 -14.19677 41.52135 
1 1 1   -7   39   23 f   51.619   17.790   40.478   27.806   22.902   52.068   47.490   32.888   49.798   21.841   54.920   19.324 -5.121830 29.16195 
1 1 1   -7   39   24 o   37.512   15.542   11.682   23.827   62.890   47.633  -5.4062   27.517   60.696   22.948   33.804   15.277 26.89181 27.56779 
1 1 1   -7   39   25 o   52.936   17.698   42.790   27.494   13.120   48.223   57.078   33.466   46.818   20.755   59.525   19.510 -12.70696 28.48515 
1 1 1   -7   39   26 o   32.452   14.455  -2.3757   23.669   13.033   45.066  -8.2450   27.814   45.924   20.226   33.266   15.161 12.65791 25.27730 
1 1 1   -7   39   27 o   37.932   15.782   11.542   24.715  -9.2933   44.193   21.024   29.813   40.807   18.789   43.538   17.636 -2.731411 25.76893 
1 1 1   -7   39   28 o   36.006   15.450   6.1076   24.909   40.408   42.586 -11.7298   30.710   53.088   21.227   34.050   15.672 19.03821 26.38548 
1 1 1   -7   39   29 o   77.092   20.711   98.477   40.720   58.499   89.123  109.024   45.777   61.529   27.678   79.680   22.187 -18.15101 35.47335 
1 1 1   -7   39   30 o   72.990   21.056   89.577   40.500  100.623   87.948   86.604   45.626   68.694   29.240   70.088   22.771 -1.393730 37.06112 
1 1 1   -7   40   16 o   39.213   15.733   20.016   23.484   24.646   64.773   19.315   25.198   47.819   22.269   39.363   16.111 8.456264 27.48594 
1 1 1   -7   40   17 o   58.074   17.936   58.009   28.628   50.503   65.873   59.757   31.787   52.729   23.751   57.887   19.016 -5.157639 30.42554 
1 1 1   -7   40   18 o   42.665   16.614   25.957   25.478  -1.1624   65.947   30.715   27.623   45.303   21.516   45.050   17.367 0.2531052 27.65048 
1 1 1   -7   40   19 o   48.643   18.113   38.098   29.445   48.460  146.224   37.660   30.060   56.320   27.884   48.454   18.251 7.866650 33.32608 
1 1 1   -7   40   20 o   49.560   17.202   39.379   26.019   42.961   60.931   38.580   28.775   52.483   23.295   49.070   17.971 3.412560 29.42151 
1 1 1   -7   40   21 o   19.594   9.6238 -29.0668   16.272 -57.1416   55.747 -26.4522   17.012   36.724   17.992   20.753   10.118 15.97060 20.64143 
1 1 1   -7   40   22 o   44.067   16.789   27.659   25.619   29.210   56.204   27.252   28.784   49.797   22.221   44.444   17.553 5.353409 28.31721 
1 1 1   -7   40   23 o   42.037   16.572   22.926   25.613   34.248   53.714   19.594   29.139   50.737   22.219   41.668   17.220 9.068672 28.11086 
1 1 1   -7   40   24 o   57.363   24.073   60.224   58.233   64.767   61.125   15.590  191.595   58.453   24.604   58.599   29.448 -0.1459236 38.37374 
1 1 1   -7   40   25 o   61.405   19.246   63.833   32.828   32.591   62.298   75.843   38.626   51.833   23.243   65.306   20.926 -13.47281 31.27468 
1 1 1   -6  -39    1 o   33.377   15.339   1.5369   29.267   41.701  129.866  -0.6121   30.040   46.704   23.569   33.150   15.344 13.55410 28.12332 
1 1 1   -6  -39    2 o   46.885   23.821  103.978  147.768  103.978  147.768   0.0000   0.0000   46.885   23.821  ?   ?  0.000000 23.82056 
1 1 1   -6  -38    1 f   61.516   20.650   75.040   37.432   13.933  125.215   81.037   39.226   49.861   24.870   63.339   21.140 -13.47760 32.64081 
1 1 1   -6  -38    2 o   39.848   16.990   20.496   29.784   63.889  136.238   18.318   30.523   50.831   25.443   39.309   16.986 11.52230 30.59192 
1 1 1   -6  -38    3 o   58.861   20.598   75.139   37.342  152.848  141.077   69.285   38.723   52.842   26.364   55.859   20.778 -3.017212 33.56733 
1 1 1   -6  -37    1 o   33.482   14.552   4.9431   22.662   14.803   59.152   3.2469   24.534   47.064   21.695   33.865   14.918 13.19898 26.32893 
1 1 1   -6  -37    2 o   28.633   13.314 -10.9970   23.012  136.428  123.895 -16.2646   23.419   61.784   29.387   27.620   13.029 34.16454 32.14538 
1 1 1   -6  -37    3 o   72.631   20.621   99.811   39.144   49.174  138.184  104.229   40.816   53.074   26.417   73.576   21.113 -20.50134 33.81720 
1 1 1   -6  -37    4 o   44.447   17.724   32.389   29.608   60.303  136.021   31.000   30.336   51.580   25.758   43.957   17.795 7.622601 31.30744 
1 1 1   -6  -37    5 o   55.464   27.635  199.518  152.810  199.518  152.810   0.0000   0.0000   55.464   27.635  ?   ?  0.000000 27.63455 
1 1 1   -6  -36    1 o   57.152   17.730   51.972   27.939   51.658   56.574   52.073   32.130   56.486   23.717   56.538   19.131 -0.5196381E-01 30.47168 
1 1 1   -6  -36    2 o   46.186   16.946   31.420   25.603   5.1287   56.775   38.131   28.685   46.053   21.237   49.600   17.977 -3.547459 27.82436 
1 1 1   -6  -36    3 o  103.871   15.844  164.884   39.797  189.765   68.885  152.419   48.757   92.798   27.652   92.767   21.472 0.3042603E-01 35.00939 
1 1 1   -6  -36    4 f   96.216   20.421  162.021   47.546   47.764  136.459  177.809   50.725   55.711   27.462  100.163   20.953 -44.45267 34.54240 
1 1 1   -6  -36    5 o   47.771   18.313   37.949   30.598   2.1996  133.161   39.942   31.439   51.125   25.524   48.596   18.578 2.529545 31.56954 
1 1 1   -6  -36    6 o   54.408   19.512   56.470   33.683 -55.8177  143.298   63.037   34.654   47.343   23.990   57.030   19.849 -9.687042 31.13700 
1 1 1   -6  -35    1 o   42.720   19.859 -16.0640   51.148 -16.0640   51.148   0.0000   0.0000   42.720   19.859  ?   ?  0.000000 19.85865 
1 1 1   -6  -35    2 o   36.590   14.993   11.516   21.849   28.963   53.583   8.0368   23.929   51.883   22.462   36.230   15.330 15.65242 27.19468 
1 1 1   -6  -35    3 o  120.033   14.118  206.703   41.508  259.316   68.496  176.170   52.180  122.326   23.273  103.162   20.970 19.16434 31.32716 
1 1 1   -6  -35    4 o   78.068   16.444   93.733   31.045  197.921   61.918   58.744   35.882  103.540   24.355   58.779   20.212 44.76111 31.64977 
1 1 1   -6  -35    5 o   96.071   18.759  150.421   43.389  240.637  135.807  140.166   45.789   76.567   34.327   90.098   20.776 -13.53053 40.12439 
1 1 1   -6  -35    6 o   41.154   16.637   21.320   26.477  127.493  130.438   16.758   27.040   62.389   29.806   39.549   16.486 22.84043 34.06170 
1 1 1   -6  -35    7 o  111.759   19.895  217.473   53.489  202.907  153.321  219.491   57.075   63.648   30.881  109.431   21.653 -45.78294 37.71524 
1 1 1   -6  -35    8 o   54.801   27.328  101.442  150.839  101.442  150.839   0.0000   0.0000   54.801   27.328  ?   ?  0.000000 27.32841 
1 1 1   -6  -34    1 o  162.585   12.714  355.983   51.209  407.122   75.129  311.604   69.987  167.784   18.224  144.864   19.870 22.92023 26.96175 
1 1 1   -6  -34    2 o   69.122   16.390   69.953   27.861  108.098   54.862   56.697   32.342   79.320   24.884   61.087   19.096 18.23332 31.36652 
1 1 1   -6  -34    3 o   69.249   26.594   86.342   64.604   86.342   64.604   0.0000   0.0000   69.249   26.594  ?   ?  0.000000 26.59432 
1 1 1   -6  -34    4 o   60.561   17.156   56.104   27.127   96.754   57.188   44.302   30.815   72.051   25.468   53.969   18.721 18.08265 31.60822 
1 1 1   -6  -34    5 o   87.916   15.991  115.158   33.813  150.395   63.674  101.319   39.905   87.236   26.716   78.358   20.248 8.877983 33.52243 
1 1 1   -6  -34    6 o   74.399   17.362   86.852   31.668  102.336   63.731   81.775   36.492   69.672   26.495   69.649   19.956 0.2301025E-01 33.16999 
1 1 1   -6  -34    7 o   47.223   17.733   33.309   28.336 -35.6904  135.489   36.465   28.976   53.329   26.479   48.700   18.002 4.628937 32.01893 
1 1 1   -6  -34    8 o   67.464   19.783   80.044   35.490  147.667  147.674   75.899   36.561   63.615   30.730   65.015   20.300 -1.399715 36.82973 
1 1 1   -6  -34    9 o  107.205   19.484  197.351   50.240  256.789  154.728  190.346   53.118   68.094   32.513  102.123   21.508 -34.02892 38.98330 
1 1 1   -6  -33    1 o   76.950   18.112   85.024   34.226  162.885  121.507   78.314   35.670   92.272   36.184   73.297   19.243 18.97484 40.98248 
1 1 1   -6  -33    2 o   62.885   16.900   56.720   27.108   51.932   53.969   58.335   31.350   62.249   24.197   63.276   18.604 -1.027573 30.52167 
1 1 1   -6  -33    3 o   56.593   16.958   46.109   25.853   43.128   53.144   47.032   29.591   58.689   23.625   57.033   18.320 1.656048 29.89591 
1 1 1   -6  -33    4 o   80.745   26.097  113.684   59.980  113.684   59.980   0.0000   0.0000   80.745   26.097  ?   ?  0.000000 26.09733 
1 1 1   -6  -33    5 o   39.742   15.596   16.763   22.591   21.982   55.200   15.713   24.759   52.039   22.664   40.196   16.145 11.84299 27.82666 
1 1 1   -6  -33    6 o   68.476   17.296   71.422   29.584   90.170   60.895   65.630   33.846   69.734   26.033   64.238   19.438 5.496216 32.48893 
1 1 1   -6  -33    7 o  100.597   15.461  148.202   37.596  171.476   68.485  138.163   44.980   92.785   27.554   92.550   20.043 0.2358780 34.07257 
1 1 1   -6  -33    8 o  114.072   18.196  203.253   50.090  231.763  147.771  199.552   53.242   77.801   35.259  110.817   19.974 -33.01620 40.52385 
1 1 1   -6  -33    9 o   42.693   16.870   23.469   26.600   72.441  145.758   21.782   27.054   60.953   29.694   42.108   16.890 18.84504 34.16137 
1 1 1   -6  -33   10 o   35.511   15.385   7.1029   25.173 -22.3035  154.754   7.9021   25.513   53.931   27.012   35.937   15.529 17.99393 31.15801 
1 1 1   -6  -33   11 o   58.406   29.007  114.809  162.943  114.809  162.943   0.0000   0.0000   58.406   29.007  ?   ?  0.000000 29.00656 
1 1 1   -6  -32    1 o   58.806   16.182   47.658   24.510   44.191   50.250   48.740   28.077   61.187   23.465   59.411   17.642 1.776596 29.35742 
1 1 1   -6  -32    2 o   42.554   15.963   19.645   22.952 -17.8895  115.241   21.195   23.421   65.308   30.166   43.529   16.166 21.77849 34.22454 
1 1 1   -6  -32    3 o  137.060   13.296  250.008   44.935  248.861   69.018  250.851   59.201  130.228   22.007  133.865   18.180 -3.636490 28.54513 
1 1 1   -6  -32    4 o   79.422   15.630   88.117   29.894   98.852   56.907   84.025   35.133   78.743   25.417   75.956   18.657 2.786156 31.52961 
1 1 1   -6  -32    5 o   87.581   14.963  106.767   31.550  171.113   61.030   83.298   36.857  103.849   24.013   74.580   19.551 29.26873 30.96582 
1 1 1   -6  -32    6 o   51.649   23.016   9.0903   60.077   9.0903   60.077   0.0000   0.0000   51.649   23.016  ?   ?  0.000000 23.01589 
1 1 1   -6  -32    7 o   73.463   16.298   79.072   29.117  121.895   60.103   65.939   33.284   82.483   26.068   65.336   19.158 17.14686 32.35077 
1 1 1   -6  -32    8 o  103.566   14.313  151.930   36.028  225.100   66.665  121.743   42.820  115.293   23.938   87.707   19.995 27.58596 31.19030 
1 1 1   -6  -32    9 o   45.824   16.963   28.906   25.749 -92.4209  142.620   32.994   26.179   54.132   26.926   47.892   17.199 6.239868 31.95002 
1 1 1   -6  -32   10 o   65.704   18.830   70.401   32.485  157.926  151.454   66.181   33.259   70.168   33.110   63.320   19.293 6.848087 38.32100 
1 1 1   -6  -32   11 o  128.464   20.303  274.004   62.967   0.0000   0.0000  274.004   62.967  ?   ?   128.464   20.303 0.000000 20.30293 
1 1 1   -6  -32   12 o   49.892   25.303 -136.2777  161.615 -136.2777  161.615   0.0000   0.0000   49.892   25.303  ?   ?  0.000000 25.30305 
1 1 1   -6  -31    1 o   88.382   14.170  103.700   30.217  128.227   53.790   92.392   36.524   94.696   22.980   81.845   18.327 12.85053 29.39298 
1 1 1   -6  -31    2 o  133.510   12.319  231.839   40.608  284.120   64.095  196.781   52.486  144.755   18.129  120.211   18.041 24.54411 25.57610 
1 1 1   -6  -31    3 o  121.082   16.409  198.091   48.338  130.813  125.394  209.833   52.387   91.683   36.501  124.121   17.378 -32.43806 40.42645 
1 1 1   -6  -31    4 o  182.606   12.592  436.600   57.069  481.362   81.918  394.390   79.548  187.679   17.688  168.440   19.258 19.23932 26.14807 
1 1 1   -6  -31    5 o   92.285   14.608  115.661   32.544  128.581   59.669  110.191   38.828   90.885   25.339   88.157   18.239 2.727394 31.22076 
1 1 1   -6  -31    6 f   41.580   15.473   19.598   21.478   45.688   54.112   14.719   23.400   60.864   24.058   40.077   15.827 20.78737 28.79689 
1 1 1   -6  -31    7 f  144.805   26.307  338.468   91.625  338.468   91.625   0.0000   0.0000  144.805   26.307  ?   ?  0.000000 26.30741 
1 1 1   -6  -31    8 o  104.651   14.066  151.147   35.829  211.577   64.956  124.721   42.954  115.409   23.341   91.079   19.475 24.32902 30.39867 
1 1 1   -6  -31    9 o   45.489   16.314   27.516   23.547   24.206   58.755   28.149   25.701   53.617   23.366   46.301   16.980 7.316017 28.88390 
1 1 1   -6  -31   10 o   91.971   19.285  131.399   42.876   0.0000   0.0000  131.399   42.876  ?   ?    91.971   19.285 0.000000 19.28486 
1 1 1   -6  -31   11 o   64.978   31.380   63.914  153.735   63.914  153.735   0.0000   0.0000   64.978   31.380  ?   ?  0.000000 31.37998 
1 1 1   -6  -31   12 o   55.708   18.335   49.521   29.545  195.387  160.862   44.429   30.057   72.884   34.310   53.149   18.486 19.73477 38.97313 
1 1 1   -6  -31   13 o   78.874   19.915  105.185   39.231 -51.6541  169.000  114.118   40.333   55.364   27.800   82.422   19.836 -27.05777 34.15099 
1 1 1   -6  -30    1 o   95.237   14.268  119.352   32.888  107.511   55.276  125.841   40.919   87.136   24.422   96.650   17.603 -9.514107 30.10462 
1 1 1   -6  -30    2 o  265.254   12.612  903.416   83.543  999.518  109.989  772.362  128.442  276.292   16.010  238.043   21.851 38.24844 27.08878 
1 1 1   -6  -30    3 o  124.627   12.350  201.434   37.929  264.192   61.386  162.679   48.240  140.224   17.942  109.446   18.296 30.77857 25.62550 
1 1 1   -6  -30    4 o   71.446   15.493   69.319   26.845  114.571   54.266   54.657   30.890   88.860   23.924   63.098   18.443 25.76215 30.20754 
1 1 1   -6  -30    5 o   82.884   17.317   94.821   34.688  153.271  131.865   90.476   35.954   96.768   37.764   80.533   18.294 16.23436 41.96213 
1 1 1   -6  -30    6 o   54.102   16.962   39.636   25.496 -50.3959   54.165   65.262   28.898   41.363   19.603   68.381   16.997 -27.01785 25.94507 
1 1 1   -6  -30    7 o  102.275   14.185  140.827   35.253  156.761   62.606  133.428   42.660  100.994   24.966   97.321   18.223 3.673592 30.90906 
1 1 1   -6  -30    8 o   51.260   16.784   35.740   24.771   22.586   56.365   38.888   27.576   55.256   23.462   53.324   17.722 1.932125 29.40247 
1 1 1   -6  -30    9 o  170.049   14.509  393.922   61.022  429.754  101.490  373.634   76.368  164.557   25.525  160.478   19.454 4.078781 32.09309 
1 1 1   -6  -30   10 o   25.612   11.821 -11.5773   17.649 -18.6178   57.568 -10.8469   18.542   45.881   21.238   26.603   12.220 19.27804 24.50205 
1 1 1   -6  -30   11 o   38.331   15.278   14.150   21.991  -4.8627   61.105   16.979   23.570   48.607   22.274   40.321   15.897 8.286163 27.36465 
1 1 1   -6  -30   12 o   40.905   15.955   19.027   23.526   66.590  155.301   17.910   23.801   67.510   32.326   40.498   15.972 27.01241 36.05648 
1 1 1   -6  -30   13 o   85.628   19.706  117.787   41.262 -120.8523  165.257  133.654   42.612   55.273   27.717   91.981   19.173 -36.70753 33.70262 
1 1 1   -6  -30   14 o  116.824   18.337  213.490   51.732  293.016  178.042  206.156   54.065   79.273   36.917  112.802   19.922 -33.52914 41.94956 
1 1 1   -6  -30   15 o   58.839   29.396   24.944  177.990   24.944  177.990   0.0000   0.0000   58.839   29.396  ?   ?  0.000000 29.39568 
1 1 1   -6  -29    1 o  148.967   11.964  284.423   44.132  318.591   64.738  254.760   60.319  155.795   16.912  138.762   17.819 17.03270 24.56679 
1 1 1   -6  -29    2 f  126.025   23.350  219.756   70.779  219.756   70.779   0.0000   0.0000  126.025   23.350  ?   ?  0.000000 23.35020 
1 1 1   -6  -29    3 o  152.522   12.700  299.839   47.932  297.132   70.369  302.183   65.467  148.830   19.395  150.958   17.703 -2.127243 26.25926 
1 1 1   -6  -29    4 o  142.387   12.076  261.217   42.532  325.439   65.747  214.998   55.775  156.765   17.071  126.606   18.162 30.15881 24.92502 
1 1 1   -6  -29    5 o  113.748   12.821  168.451   35.784  225.104   60.819  138.455   44.255  128.566   19.560  100.896   18.236 27.67011 26.74225 
1 1 1   -6  -29    6 f  192.873   15.457  490.351   73.819  670.062  156.370  438.815   83.738  210.979   30.571  180.080   18.903 30.89902 35.94281 
1 1 1   -6  -29    7 o  200.872   12.136  523.084   60.590  651.679   88.196  408.152   83.380  221.303   16.069  172.204   19.746 49.09932 25.45834 
1 1 1   -6  -29    8 o  174.567   12.945  399.586   56.030  446.287   83.980  362.122   75.218  179.787   18.993  161.830   18.973 17.95668 26.84576 
1 1 1   -6  -29    9 f  159.059   12.849  333.822   50.600  425.670   81.503  276.217   64.545  174.452   19.017  140.351   18.896 34.10106 26.80895 
1 1 1   -6  -29   10 o   78.139   27.889   98.255   68.742   98.255   68.742   0.0000   0.0000   78.139   27.889  ?   ?  0.000000 27.88943 
1 1 1   -6  -29   11 o   68.600   16.893   67.891   28.747   97.011   62.204   59.983   32.416   76.569   26.596   63.769   18.961 12.79980 32.66352 
1 1 1   -6  -29   12 o  121.150   13.958  201.956   41.455  291.896   76.234  164.193   49.397  135.829   23.315  104.603   19.632 31.22661 30.47944 
1 1 1   -6  -29   13 o   92.451   15.523  122.519   34.567  164.455   69.030  108.483   39.935   94.372   27.566   83.834   19.452 10.53790 33.73812 
1 1 1   -6  -29   14 o  154.650   17.397  355.172   66.018  510.449  185.000  332.513   70.671  114.437   44.711  146.268   19.862 -31.83107 48.92377 
1 1 1   -6  -29   15 o   74.138   19.360   88.745   36.232   47.785  173.381   90.615   37.050   64.161   31.494   74.708   19.611 -10.54662 37.10020 
1 1 1   -6  -29   16 o   76.578   19.564   96.877   37.548  118.299  178.765   95.888   38.405   65.838   32.247   75.688   20.014 -9.850227 37.95275 
1 1 1   -6  -28    1 o  130.450   12.541  218.568   40.350  197.593   59.030  236.964   55.281  121.332   20.192  134.441   16.835 -13.10896 26.28987 
1 1 1   -6  -28    2 o  160.886   12.258  331.406   48.878  328.833   69.162  333.973   69.085  158.121   17.827  159.444   17.647 -1.323059 25.08393 
1 1 1   -6  -28    3 o  144.129   22.057  281.825   76.862  281.825   76.862   0.0000   0.0000  144.129   22.057  ?   ?  0.000000 22.05710 
1 1 1   -6  -28    4 o  154.701   12.193  307.087   46.720  337.631   68.807  280.958   63.640  160.067   17.499  145.706   17.865 14.36072 25.00726 
1 1 1   -6  -28    5 o  119.092   13.266  184.001   38.781  176.509   61.597  188.921   49.917  112.811   22.652  119.200   17.273 -6.389160 28.48639 
1 1 1   -6  -28    6 o  227.760   13.207  668.850   74.793  672.749  101.237  664.166  110.980  225.317   18.146  222.351   20.208 2.966568 27.15992 
1 1 1   -6  -28    7 o  112.154   13.178  164.108   36.204  217.530   63.167  137.973   44.182  125.729   20.849  100.759   18.230 24.96964 27.69545 
1 1 1   -6  -28    8 o  153.461   18.009  317.194   67.704   0.0000   0.0000  317.194   67.704  ?   ?   153.461   18.009 0.000000 18.00937 
1 1 1   -6  -28    9 o  135.689   22.309  261.250   72.965  261.250   72.965   0.0000   0.0000  135.689   22.309  ?   ?  0.000000 22.30946 
1 1 1   -6  -28   10 f  125.869   13.480  209.576   41.711  250.649   70.383  187.342   51.783  132.039   22.129  116.178   18.467 15.86095 28.82222 
1 1 1   -6  -28   11 o  123.909   25.264  234.601   75.522  234.601   75.522   0.0000   0.0000  123.909   25.264  ?   ?  0.000000 25.26386 
1 1 1   -6  -28   12 o  140.051   13.309  262.509   45.987  339.672   77.579  220.707   57.101  152.513   20.921  124.170   19.021 28.34245 28.27530 
1 1 1   -6  -28   13 o   42.054   15.777   20.408   22.420  132.245   61.327   3.1558   24.087   88.958   25.982   35.478   15.207 53.47982 30.10514 
1 1 1   -6  -28   14 o  164.916   13.481  371.325   55.034  443.981   87.403  323.596   70.840  170.783   20.932  147.020   19.799 23.76328 28.81244 
1 1 1   -6  -28   15 o   95.522   18.616  138.141   42.810  104.152  171.363  140.404   44.212   72.727   34.582   95.841   19.143 -23.11398 39.52700 
1 1 1   -6  -28   16 o  106.843   19.075  176.592   49.026   18.564  180.509  189.178   50.941   64.625   31.803  110.577   19.141 -45.95198 37.11907 
1 1 1   -6  -28   17 o   46.313   17.216   29.930   26.576   65.088  181.025   29.156   26.867   64.892   31.918   46.000   17.268 18.89161 36.28971 
1 1 1   -6  -27    1 o  477.660   18.027  2954.70  215.026  3090.16  266.578  2702.44  363.786  484.203   22.047  437.069   33.588 47.13477 40.17710 
1 1 1   -6  -27    2 o  221.388   12.045  624.254   66.339  652.442   88.018  587.180  100.941  224.788   15.780  211.453   19.330 13.33501 24.95310 
1 1 1   -6  -27    3 o  207.662   11.696  549.198   60.406  611.198   81.722  474.526   89.686  217.706   15.126  189.839   19.182 27.86618 24.42810 
1 1 1   -6  -27    4 o  269.931   13.648  933.917   91.700  912.299  118.233  966.552  145.271  264.264   18.024  269.350   21.784 -5.085999 28.27408 
1 1 1   -6  -27    5 o  131.499   13.071  222.941   42.353  272.652   70.995  195.476   52.772  142.528   20.540  121.352   17.956 21.17596 27.28225 
1 1 1   -6  -27    6 o  264.697   13.738  900.815   90.493  894.630  118.374  909.513  140.374  260.915   18.283  260.406   21.787 0.5089722 28.44202 
1 1 1   -6  -27    7 o  168.989   18.086  378.095   75.137   0.0000   0.0000  378.095   75.137  ?   ?   168.989   18.086 0.000000 18.08586 
1 1 1   -6  -27    8 o  298.752   19.068  1186.27  141.513  1186.27  141.513   0.0000   0.0000  298.752   19.068  ?   ?  0.000000 19.06803 
1 1 1   -6  -27    9 o  153.857   16.602  313.680   62.775  232.791  154.010  329.797   68.745  116.919   41.743  157.118   17.837 -40.19913 45.39471 
1 1 1   -6  -27   10 o   96.354   14.150  122.987   33.034  187.555   62.537   97.999   38.904  115.076   22.569   84.004   18.991 31.07165 29.49615 
1 1 1   -6  -27   11 o   99.874   14.293  132.884   34.632  165.850   64.631  119.607   41.017  105.885   24.867   92.866   18.338 13.01897 30.89748 
1 1 1   -6  -27   12 o  143.628   13.030  271.645   46.227  346.608   76.790  229.038   57.892  157.222   20.012  128.449   18.589 28.77383 27.31378 
1 1 1   -6  -27   13 o  121.101   28.228  236.081   83.788  236.081   83.788   0.0000   0.0000  121.101   28.228  ?   ?  0.000000 28.22803 
1 1 1   -6  -27   14 f  140.630   13.975  267.094   48.428  276.691   79.624  261.459   61.010  133.216   24.849  135.446   18.523 -2.229904 30.99364 
1 1 1   -6  -27   15 o  123.010   14.079  207.269   42.470  283.085   77.917  175.225   50.656  133.564   24.255  108.950   19.327 24.61395 31.01287 
1 1 1   -6  -27   16 o   68.928   19.100   72.754   34.012 -91.2502  170.694   79.535   34.708   61.621   30.439   72.161   19.000 -10.53980 35.88191 
1 1 1   -6  -27   17 o   30.872   13.605  -1.5265   20.425 -127.4037  175.903   0.1939   20.564   58.460   29.209   31.589   13.793 26.87069 32.30175 
1 1 1   -6  -27   18 o   82.489   19.474  108.161   39.471 -48.7780  190.811  115.177   40.343   61.364   30.623   85.316   19.378 -23.95279 36.23857 
1 1 1   -6  -27   19 o   59.772   29.983 -40.0020  194.173 -40.0020  194.173   0.0000   0.0000   59.772   29.983  ?   ?  0.000000 29.98349 
1 1 1   -6  -26    1 o  234.751   11.949  700.094   69.815  752.043   91.057  625.996  108.750  242.090   15.138  218.496   20.159 23.59407 25.20976 
1 1 1   -6  -26    2 o  227.047   15.252  662.620   85.976  710.402  143.760  636.015  107.274  229.451   25.522  220.336   19.705 9.115372 32.24370 
1 1 1   -6  -26    3 o  232.421   12.947  689.173   74.846  646.682   97.092  751.404  117.500  223.130   17.567  239.375   19.835 -16.24593 26.49613 
1 1 1   -6  -26    4 o  268.390   12.840  916.692   86.059  949.765  111.169  867.233  135.947  271.078   16.501  256.006   21.463 15.07205 27.07313 
1 1 1   -6  -26    5 o  169.984   12.337  369.269   52.011  361.711   72.776  377.159   74.360  166.188   17.814  169.736   17.809 -3.548294 25.18909 
1 1 1   -6  -26    6 o  235.254   23.070  743.425  133.788  743.425  133.788   0.0000   0.0000  235.254   23.070  ?   ?  0.000000 23.07043 
1 1 1   -6  -26    7 o  158.121   12.672  320.821   49.616  312.976   72.224  327.832   68.276  153.522   19.263  157.922   17.613 -4.399948 26.10180 
1 1 1   -6  -26    8 o  156.980   12.463  316.341   48.454  347.556   72.074  290.598   65.451  162.230   18.099  148.212   18.057 14.01826 25.56670 
1 1 1   -6  -26    9 o  320.597   13.527  1319.42  108.294  1491.67  141.244  1073.76  168.684  338.454   16.712  279.981   24.370 58.47333 29.54921 
1 1 1   -6  -26   10 o  118.499   16.223  185.976   46.745  231.280  143.991  180.639   49.422  118.782   40.498  116.197   17.582 2.585533 44.15022 
1 1 1   -6  -26   11 o  127.790   13.603  213.105   42.741  218.162   71.559  210.300   53.291  124.092   23.960  125.214   17.523 -1.122253 29.68421 
1 1 1   -6  -26   12 f   95.827   14.884  122.509   34.462  126.914   63.592  120.677   41.005   92.510   26.289   93.709   18.179 -1.199623 31.96205 
1 1 1   -6  -26   13 o  130.525   12.987  223.558   41.768  318.055   72.377  176.374   51.143  151.628   19.572  112.843   18.812 38.78412 27.14646 
1 1 1   -6  -26   14 o   96.082   28.964  148.959   75.254  148.959   75.254   0.0000   0.0000   96.082   28.964  ?   ?  0.000000 28.96380 
1 1 1   -6  -26   15 o  106.119   15.008  153.576   38.661  159.244   72.137  151.292   45.793   98.415   28.011  103.202   18.446 -4.786163 33.53881 
1 1 1   -6  -26   16 o   89.216   15.604  111.237   33.498  160.582   69.237   96.156   38.276   97.673   27.318   80.647   19.269 17.02547 33.42998 
1 1 1   -6  -26   17 o   61.662   18.001   56.315   29.444 -39.8025   67.965   78.523   32.669   46.441   21.994   72.723   18.069 -26.28216 28.46494 
1 1 1   -6  -26   18 f   48.755   17.247   32.879   26.234 -133.8912  174.733   36.725   26.535   59.251   29.526   50.761   17.385 8.490242 34.26390 
1 1 1   -6  -26   19 o   48.527   17.390   33.160   26.752   55.911  184.982   32.674   27.036   68.025   33.208   48.329   17.462 19.69576 37.51915 
1 1 1   -6  -26   20 o  123.793   18.173  234.378   54.506  397.654  211.622  222.777   56.409   87.321   40.525  118.845   19.697 -31.52408 45.05828 
1 1 1   -6  -25    1 o  181.129   11.647  416.581   52.400  406.414   69.858  429.661   79.233  177.620   15.919  182.040   17.652 -4.419479 23.76931 
1 1 1   -6  -25    2 o  229.005   11.721  665.385   66.803  707.437   87.040  605.109  104.207  235.014   14.908  215.296   19.597 19.71721 24.62322 
1 1 1   -6  -25    3 o  322.190   17.234  1339.19  138.154  1441.82  209.590  1260.34  183.714  327.952   25.801  307.871   24.088 20.08063 35.29734 
1 1 1   -6  -25    4 o  543.099   19.238  3828.30  260.903  4098.17  322.873  3320.50  442.893  557.115   23.208  480.597   37.193 76.51834 43.83980 
1 1 1   -6  -25    5 o  194.255   12.313  480.861   59.419  464.637   80.193  500.611   88.479  189.152   17.164  195.886   18.300 -6.734207 25.08978 
1 1 1   -6  -25    6 o  240.370   12.989  737.406   77.676  728.449  102.432  749.527  119.157  236.860   17.440  238.757   20.174 -1.896774 26.66770 
1 1 1   -6  -25    7 o  318.530   25.896  1375.58  204.201  1375.58  204.201   0.0000   0.0000  318.530   25.896  ?   ?  0.000000 25.89596 
1 1 1   -6  -25    8 o  265.731   12.435  898.898   82.517  1010.91  109.494  751.660  125.538  279.796   15.735  237.801   21.368 41.99512 26.53672 
1 1 1   -6  -25    9 o   46.542   15.743   26.281   21.757   44.882   48.833   21.674   24.303   63.205   23.368   45.057   16.514 18.14786 28.61403 
1 1 1   -6  -25   10 o  128.563   13.523  213.876   42.765  192.445   68.037  227.873   54.984  117.678   23.967  131.397   17.167 -13.71890 29.48096 
1 1 1   -6  -25   11 o  233.964   13.674  705.403   79.545  685.575  108.188  728.736  117.359  227.231   19.247  233.525   20.328 -6.294281 27.99382 
1 1 1   -6  -25   12 o  146.486   16.317  283.069   58.673  289.060  163.000  282.178   62.888  129.616   43.085  145.604   17.657 -15.98721 46.56321 
1 1 1   -6  -25   13 o   64.574   16.887   56.923   27.539   53.644   60.566   57.778   30.921   67.815   25.819   64.951   18.288 2.864182 31.63991 
1 1 1   -6  -25   14 o  198.823   12.449  512.570   61.500  674.312   93.564  389.535   81.605  224.860   16.784  168.529   19.766 56.33054 25.93032 
1 1 1   -6  -25   15 o  213.352   20.869  637.242  109.765  637.242  109.765   0.0000   0.0000  213.352   20.869  ?   ?  0.000000 20.86947 
1 1 1   -6  -25   16 o  136.718   13.912  249.340   46.837  263.858   78.771  241.400   58.252  132.266   24.759  131.631   18.209 0.6354828 30.73405 
1 1 1   -6  -25   17 o  153.588   13.915  317.146   52.790  344.567   86.740  301.014   66.530  150.568   23.866  145.563   18.738 5.004059 30.34257 
1 1 1   -6  -25   18 o   45.958   16.622   26.772   24.506 -15.1721   66.750   33.307   26.346   50.085   23.072   49.721   17.307 0.3648376 28.84187 
1 1 1   -6  -25   19 o  101.215   18.373  151.463   44.727   53.165  188.282  157.342   46.045   72.552   34.960  103.022   18.582 -30.46936 39.59100 
1 1 1   -6  -25   20 o   64.741   18.343   64.265   31.008  265.248  187.166   58.593   31.443   86.493   39.385   61.700   18.750 24.79332 43.62023 
1 1 1   -6  -25   21 f   51.645   17.901   39.514   28.171 -181.2212  192.704   44.335   28.477   56.880   28.705   54.083   18.010 2.796978 33.88708 
1 1 1   -6  -24    1 o  370.133   14.759  1742.51  136.416  1816.12  169.918  1609.04  228.806  376.141   18.090  347.794   26.545 28.34647 32.12319 
1 1 1   -6  -24    2 o   86.036   12.534   95.598   26.137  100.122   41.290   92.572   33.762   86.452   19.580   83.662   16.745 2.790077 25.76377 
1 1 1   -6  -24    3 o  252.875   12.195  809.534   77.010  847.124   99.502  753.381  121.613  257.133   15.569  240.205   20.470 16.92830 25.71805 
1 1 1   -6  -24    4 o  142.967   11.917  260.451   42.158  259.176   60.643  261.644   58.647  140.968   17.611  141.886   16.884 -0.9184723 24.39710 
1 1 1   -6  -24    5 o  124.182   16.839  201.343   50.871   0.0000   0.0000  201.343   50.871  ?   ?   124.182   16.839 0.000000 16.83868 
1 1 1   -6  -24    6 o   98.178   21.200  130.396   50.455  130.396   50.455   0.0000   0.0000   98.178   21.200  ?   ?  0.000000 21.20014 
1 1 1   -6  -24    7 o  373.938   14.977  1788.66  139.852  1859.01  175.877  1667.69  230.630  378.778   18.594  351.497   26.469 27.28043 32.34753 
1 1 1   -6  -24    8 o  205.229   12.901  537.836   65.783  500.885   87.946  584.766   99.113  195.891   18.186  211.376   18.979 -15.48511 26.28572 
1 1 1   -6  -24    9 o  143.002   22.660  276.255   78.220  276.255   78.220   0.0000   0.0000  143.002   22.660  ?   ?  0.000000 22.65965 
1 1 1   -6  -24   10 o   64.939   16.214   56.465   26.214   43.829   53.433   60.470   30.083   64.302   24.306   67.075   17.702 -2.772789 30.06929 
1 1 1   -6  -24   11 o  435.725   16.459  2456.27  179.091  2637.80  225.689  2147.59  294.299  447.612   20.191  390.553   30.416 57.05939 36.50734 
1 1 1   -6  -24   12 o  142.035   12.919  259.879   45.321  280.196   71.487  246.226   58.603  144.396   20.393  136.452   17.609 7.943375 26.94378 
1 1 1   -6  -24   13 o  137.070   15.724  246.495   52.847  405.509  158.503  226.607   56.055  158.560   40.026  130.549   17.647 28.01068 43.74358 
1 1 1   -6  -24   14 o  137.419   13.444  245.408   45.543  263.051   75.116  235.152   57.271  137.706   22.630  132.615   17.738 5.090866 28.75352 
1 1 1   -6  -24   15 o  114.602   14.593  173.466   40.815  152.589   72.041  183.334   49.531  101.007   27.721  116.504   17.571 -15.49752 32.82091 
1 1 1   -6  -24   16 o  115.810   14.193  177.718   40.186  207.740   72.410  164.355   48.308  118.685   25.210  109.271   18.354 9.413719 31.18371 
1 1 1   -6  -24   17 o  142.699   27.786  314.353   95.451  314.353   95.451   0.0000   0.0000  142.699   27.786  ?   ?  0.000000 27.78562 
1 1 1   -6  -24   18 o  221.685   14.214  656.790   78.273  678.552  112.952  636.685  108.569  217.070   21.104  210.450   20.937 6.619720 29.72763 
1 1 1   -6  -24   19 o  178.165   13.306  425.568   58.773  552.436   95.508  348.244   74.562  195.282   19.862  154.984   19.712 40.29852 27.98269 
1 1 1   -6  -24   20 o   66.590   18.496   66.191   31.854  138.755  191.824   64.133   32.302   81.054   37.935   65.443   18.783 15.61133 42.33066 
1 1 1   -6  -24   21 o   95.149   18.779  136.179   43.035   44.767  203.413  140.462   44.032   71.343   34.827   96.527   18.944 -25.18327 39.64548 
1 1 1   -6  -24   22 o   55.682   18.362   46.923   29.627  198.541  206.746   43.744   29.936   77.874   37.291   54.093   18.466 23.78063 41.61230 
1 1 1   -6  -24   23 o   64.991   32.399   19.924  211.231   19.924  211.231   0.0000   0.0000   64.991   32.399  ?   ?  0.000000 32.39886 
1 1 1   -6  -23    1 o   81.543   21.662   88.976   44.858   88.976   44.858   0.0000   0.0000   81.543   21.662  ?   ?  0.000000 21.66225 
1 1 1   -6  -23    2 o  226.501   13.487  652.047   75.939  722.043  111.087  590.641  104.047  236.410   18.977  213.377   19.751 23.03246 27.38997 
1 1 1   -6  -23    3 o  123.803   12.021  195.446   36.696  247.958   58.777  161.901   46.977  138.167   17.423  111.212   17.493 26.95556 24.68929 
1 1 1   -6  -23    4 o   64.388   17.128   54.965   28.021   0.0000   0.0000   54.965   28.021  ?   ?    64.388   17.128 0.000000 17.12827 
1 1 1   -6  -23    5 o  166.154   20.241  362.319   82.248  362.319   82.248   0.0000   0.0000  166.154   20.241  ?   ?  0.000000 20.24092 
1 1 1   -6  -23    6 o  315.571   24.195  1319.76  189.214   0.0000   0.0000  1319.76  189.214  ?   ?   315.571   24.195 0.000000 24.19500 
1 1 1   -6  -23    7 o  313.334   15.459  1255.25  120.958  1492.39  176.011  1043.03  166.505  337.786   20.970  280.170   24.031 57.61621 31.89429 
1 1 1   -6  -23    8 o  130.653   11.935  218.012   38.511  352.213   65.740  147.898   47.518  164.999   16.163  105.514   18.720 59.48507 24.73158 
1 1 1   -6  -23    9 o  114.789   12.624  169.258   35.588  259.480   63.610  128.152   42.936  140.477   18.590   98.152   18.187 42.32563 26.00669 
1 1 1   -6  -23   10 o  163.318   21.749  355.883   86.496  355.883   86.496   0.0000   0.0000  163.318   21.749  ?   ?  0.000000 21.74930 
1 1 1   -6  -23   11 o   85.159   25.779   99.398   59.524   99.398   59.524   0.0000   0.0000   85.159   25.779  ?   ?  0.000000 25.77926 
1 1 1   -6  -23   12 o  199.837   14.067  513.372   69.750  531.605  106.756  499.791   92.133  199.494   21.784  194.792   19.190 4.701492 29.03054 
1 1 1   -6  -23   13 o  279.574   12.860  997.643   89.780  1139.46  120.477  820.536  134.635  296.411   16.339  247.628   22.002 48.78226 27.40533 
1 1 1   -6  -23   14 o  228.123   15.882  676.656   89.909  971.461  184.989  585.478  102.878  262.555   28.681  209.779   19.876 52.77678 34.89479 
1 1 1   -6  -23   15 o  118.178   13.471  181.642   39.044  240.002   69.040  154.201   47.342  132.338   21.639  106.940   18.391 25.39837 28.39880 
1 1 1   -6  -23   16 o  162.879   13.505  344.638   54.436  351.576   84.581  339.733   71.125  159.803   21.761  159.244   18.213 0.5593262 28.37720 
1 1 1   -6  -23   17 o  179.229   13.187  418.358   58.606  477.429   90.521  375.730   76.897  186.989   19.681  166.297   18.850 20.69221 27.25215 
1 1 1   -6  -23   18 o  107.823   29.944  185.458   83.499  185.458   83.499   0.0000   0.0000  107.823   29.944  ?   ?  0.000000 29.94419 
1 1 1   -6  -23   19 o   46.225   16.566   26.012   24.277   27.266   67.348   25.825   26.026   60.278   25.621   46.707   17.094 13.57168 30.80009 
1 1 1   -6  -23   20 o   98.538   15.880  134.634   37.748  125.306   76.453  137.641   43.407   85.734   29.502   98.058   18.403 -12.32369 34.77143 
1 1 1   -6  -23   21 o   44.937   16.668   24.494   24.885   38.685  189.042   24.244   25.104   74.821   35.784   44.886   16.723 29.93552 39.49878 
1 1 1   -6  -23   22 o  133.456   17.773  258.749   57.758  307.771  215.950  254.972   59.941   92.433   42.173  131.421   18.800 -38.98853 46.17391 
1 1 1   -6  -23   23 o  111.639   18.509  186.795   49.793  197.045  222.766  186.256   51.086   79.141   38.107  110.846   19.148 -31.70551 42.64724 
1 1 1   -6  -23   24 o   22.999   10.950 -19.0089   17.285 -106.0607  218.163 -18.4590   17.339   61.768   31.091   23.187   11.018 38.58118 32.98574 
1 1 1   -6  -22    1 o   46.898   14.538   27.725   18.790   16.111   36.301   31.975   21.960   49.086   19.608   50.386   15.733 -1.299480 25.13972 
1 1 1   -6  -22    2 o  209.816   20.134  569.541  104.199  569.541  104.199   0.0000   0.0000  209.816   20.134  ?   ?  0.000000 20.13447 
1 1 1   -6  -22    3 o  194.223   12.695  478.516   61.231  553.185   91.462  417.868   82.429  207.374   17.835  179.781   18.631 27.59239 25.79174 
1 1 1   -6  -22    4 o   95.185   12.610  116.448   29.235  175.010   49.644   85.357   36.173  115.742   17.742   80.084   18.465 35.65710 25.60760 
1 1 1   -6  -22    5 o  193.528   11.984  474.942   57.633  651.201   87.402  339.348   76.660  225.603   15.610  161.311   19.421 64.29222 24.91671 
1 1 1   -6  -22    6 o  134.675   11.800  230.892   39.284  329.293   63.474  169.801   50.013  159.844   16.122  113.684   18.233 46.15977 24.33885 
1 1 1   -6  -22    7 o  120.394   16.897  189.000   49.401   0.0000   0.0000  189.000   49.401  ?   ?   120.394   16.897 0.000000 16.89678 
1 1 1   -6  -22    8 o  161.892   12.467  333.974   50.013  401.471   77.845  286.529   65.265  175.788   17.987  148.226   18.002 27.56227 25.44753 
1 1 1   -6  -22    9 o  138.354   12.485  244.586   42.671  300.002   68.658  209.709   54.468  151.428   18.544  126.525   17.725 24.90233 25.65306 
1 1 1   -6  -22   10 f  215.571   13.270  592.894   71.087  713.939  107.642  499.272   94.667  234.337   18.546  195.224   19.687 39.11256 27.04698 
1 1 1   -6  -22   11 o   57.384   22.756   26.372   48.559   26.372   48.559   0.0000   0.0000   57.384   22.756  ?   ?  0.000000 22.75554 
1 1 1   -6  -22   12 o  159.812   12.497  326.383   49.475  450.218   80.824  252.176   62.566  185.910   17.620  138.357   18.578 47.55386 25.60490 
1 1 1   -6  -22   13 o  215.898   13.781  597.433   73.909  697.516  113.859  524.552   97.162  230.171   20.008  199.527   19.760 30.64357 28.12095 
1 1 1   -6  -22   14 o  230.306   14.169  681.506   81.090  791.849  124.712  600.683  106.733  244.588   20.611  213.010   20.312 31.57800 28.93708 
1 1 1   -6  -22   15 o  113.741   14.341  168.463   39.826  253.798   78.217  138.594   46.274  135.755   23.948  101.450   18.963 34.30460 30.54639 
1 1 1   -6  -22   16 o  277.885   26.130  1070.63  179.192  1070.63  179.192   0.0000   0.0000  277.885   26.130  ?   ?  0.000000 26.12961 
1 1 1   -6  -22   17 o  118.438   14.291  183.647   41.414  179.083   72.968  185.816   50.300  111.194   26.630  117.773   17.647 -6.579399 31.94617 
1 1 1   -6  -22   18 o   42.313   16.005   17.998   23.177 -18.2110   63.125   23.639   24.917   51.416   23.196   45.881   16.735 5.534916 28.60304 
1 1 1   -6  -22   19 o  157.505   27.277  369.967  103.399  369.967  103.399   0.0000   0.0000  157.505   27.277  ?   ?  0.000000 27.27664 
1 1 1   -6  -22   20 o  181.941   13.620  437.084   61.433  496.589   97.047  397.295   79.357  187.184   21.132  169.075   19.132 18.10927 28.50599 
1 1 1   -6  -22   21 o   72.305   17.567   74.558   31.407   48.283   76.649   79.860   34.430   66.268   27.701   74.411   18.584 -8.142235 33.35746 
1 1 1   -6  -22   22 o   46.219   16.693   26.852   24.704   42.714   73.737   24.846   26.220   63.077   26.810   45.703   17.078 17.37468 31.78744 
1 1 1   -6  -22   23 o  102.516   18.349  153.993   45.248   77.182  209.106  157.766   46.346   76.599   36.892  103.582   18.601 -26.98286 41.31657 
1 1 1   -6  -22   24 o  141.102   17.962  292.143   61.855  407.316  229.085  283.087   64.241   96.996   43.935  137.436   19.246 -40.43983 47.96515 
1 1 1   -6  -22   25 o   72.721   19.445   83.235   35.996 -46.5429  235.999   86.326   36.422   66.088   33.138   74.095   19.441 -8.007309 38.42008 
1 1 1   -6  -21    1 o  109.991   12.040  153.942   32.530  189.572   51.951  130.961   41.722  121.044   17.711  100.295   17.282 20.74898 24.74590 
1 1 1   -6  -21    2 o  135.904   12.961  234.826   43.455  187.611   66.021  270.916   57.721  118.951   23.058  145.388   16.172 -26.43701 28.16452 
1 1 1   -6  -21    3 o  155.986   12.680  308.746   48.963  315.410   74.610  303.706   64.891  155.989   19.586  153.674   17.205 2.314804 26.06910 
1 1 1   -6  -21    4 o  166.001   19.588  357.324   79.636  357.324   79.636   0.0000   0.0000  166.001   19.588  ?   ?  0.000000 19.58834 
1 1 1   -6  -21    5 o  117.937   12.872  177.751   37.294  161.339   58.562  188.948   48.370  109.949   22.096  120.794   16.464 -10.84507 27.55520 
1 1 1   -6  -21    6 o   54.091   15.212   38.215   21.407   40.680   41.700   37.333   24.945   60.380   21.704   54.123   16.747 6.257828 27.41354 
1 1 1   -6  -21    7 o  212.695   12.696  574.291   67.125  717.372   99.858  456.340   90.666  236.324   17.035  187.287   19.680 49.03674 26.02894 
1 1 1   -6  -21    8 o  272.109   21.835  968.043  147.119   0.0000   0.0000  968.043  147.119  ?   ?   272.109   21.835 0.000000 21.83484 
1 1 1   -6  -21    9 o  273.580   14.919  956.094  101.540  1062.76  148.354  862.085  139.274  285.421   20.961  256.379   21.966 29.04218 30.36222 
1 1 1   -6  -21   10 o  336.617   16.808  1452.86  141.291  1611.57  204.162  1306.98  195.735  349.502   23.529  313.350   25.228 36.15131 34.49752 
1 1 1   -6  -21   11 o  255.444   13.979  832.832   88.833  1012.03  132.141  685.060  119.995  279.131   19.072  228.305   21.293 50.82582 28.58520 
1 1 1   -6  -21   12 o  136.634   22.454  250.531   73.950  250.531   73.950   0.0000   0.0000  136.634   22.454  ?   ?  0.000000 22.45368 
1 1 1   -6  -21   13 o  249.642   14.279  797.650   88.648  929.764  132.105  689.427  119.565  266.546   19.993  228.683   21.178 37.86322 29.12396 
1 1 1   -6  -21   14 o  172.932   13.120  382.751   56.235  480.812   91.088  322.357   71.485  191.367   19.326  156.645   18.640 34.72168 26.85042 
1 1 1   -6  -21   15 o  232.632   13.716  693.287   79.330  881.391  122.975  559.217  103.821  259.413   19.118  205.619   20.492 53.79391 28.02576 
1 1 1   -6  -21   16 o   63.881   17.474   54.694   28.680  -2.6626   65.285   68.410   31.925   56.484   24.622   71.196   17.959 -14.71199 30.47579 
1 1 1   -6  -21   17 o  197.021   19.166  514.072   93.101   0.0000   0.0000  514.072   93.101  ?   ?   197.021   19.166 0.000000 19.16574 
1 1 1   -6  -21   18 o   60.905   16.895   49.961   26.597  150.594   68.655   32.191   28.850  102.230   26.628   51.771   18.106 50.45945 32.20052 
1 1 1   -6  -21   19 o   83.269   29.277   97.143   75.486   97.143   75.486   0.0000   0.0000   83.269   29.277  ?   ?  0.000000 29.27747 
1 1 1   -6  -21   20 o  125.050   15.024  207.526   45.977  191.716   82.758  214.584   55.296  111.575   29.320  125.548   18.165 -13.97255 34.49075 
1 1 1   -6  -21   21 o  128.785   14.097  220.139   44.596  305.086   83.918  186.708   52.645  144.469   24.111  115.871   18.841 28.59827 30.59946 
1 1 1   -6  -21   22 o  188.732   13.964  474.198   65.347  522.019  102.878  441.854   84.607  189.620   22.143  177.153   19.445 12.46722 29.46918 
1 1 1   -6  -21   23 o  121.178   16.123  203.554   47.579  122.018   89.608  235.566   56.148   83.372   31.486  129.053   17.905 -45.68100 36.22086 
1 1 1   -6  -21   24 o   56.585   18.346   46.204   29.624 -110.8820  216.983   49.187   29.904   68.075   33.751   58.124   18.390 9.950638 38.43583 
1 1 1   -6  -21   25 o  112.788   18.520  187.937   50.350  108.004  224.108  192.186   51.671   76.958   37.337  113.774   18.846 -36.81663 41.82396 
1 1 1   -6  -21   26 o  102.629   18.469  158.355   45.592  424.620  240.348  148.416   46.436   93.559   43.338   98.223   19.618 -4.664627 47.57150 
1 1 1   -6  -20    1 o  183.224   17.845  428.394   80.611   0.0000   0.0000  428.394   80.611  ?   ?   183.224   17.845 0.000000 17.84464 
1 1 1   -6  -20    2 o  437.612   30.251  2498.41  328.556   0.0000   0.0000  2498.41  328.556  ?   ?   437.612   30.251 0.000000 30.25126 
1 1 1   -6  -20    3 f  320.647   24.422  1328.28  194.082  1328.28  194.082   0.0000   0.0000  320.647   24.422  ?   ?  0.000000 24.42221 
1 1 1   -6  -20    4 o  105.936   12.321  143.137   31.984  173.915   51.395  123.683   40.861  115.605   18.421   97.314   17.456 18.29065 25.37813 
1 1 1   -6  -20    5 o  240.105   21.110  744.331  125.285  744.331  125.285   0.0000   0.0000  240.105   21.110  ?   ?  0.000000 21.10978 
1 1 1   -6  -20    6 o  137.751   12.805  241.490   43.543  214.551   66.105  262.136   57.871  127.550   21.520  142.702   16.547 -15.15249 27.14596 
1 1 1   -6  -20    7 o  314.157   15.446  1253.52  121.177  1477.51  175.057  1047.45  167.906  338.160   20.832  282.934   23.991 55.22656 31.77277 
1 1 1   -6  -20    8 o  339.935   16.280  1472.49  138.198  1730.42  199.218  1233.23  191.873  364.922   21.964  305.850   25.351 59.07147 33.54182 
1 1 1   -6  -20    9 o  160.662   12.116  327.959   48.252  419.467   75.035  263.439   63.006  180.466   16.845  142.288   18.145 38.17827 24.75903 
1 1 1   -6  -20   10 o  110.188   17.001  158.721   45.275   0.0000   0.0000  158.721   45.275  ?   ?   110.188   17.001 0.000000 17.00126 
1 1 1   -6  -20   11 o  403.684   18.812  2100.22  189.643  2397.45  272.445  1820.84  264.140  424.874   25.801  367.163   29.046 57.71097 38.85015 
1 1 1   -6  -20   12 o  107.055   13.171  147.526   34.468  199.943   60.025  121.740   42.100  122.731   20.294   95.770   18.270 26.96082 27.30697 
1 1 1   -6  -20   13 o   73.875   15.403   72.200   27.496  103.400   54.549   61.573   31.836   87.121   24.206   67.947   18.337 19.17477 30.36733 
1 1 1   -6  -20   14 o  152.282   22.431  309.927   82.744  309.927   82.744   0.0000   0.0000  152.282   22.431  ?   ?  0.000000 22.43089 
1 1 1   -6  -20   15 o  320.720   15.848  1319.34  126.922  1580.55  186.704  1094.91  173.061  346.476   21.688  286.142   24.455 60.33414 32.68644 
1 1 1   -6  -20   16 o  141.452   13.013  256.714   45.450  384.095   79.998  196.001   55.230  170.925   19.067  121.595   18.795 49.33035 26.77340 
1 1 1   -6  -20   17 o   62.397   17.307   51.957   27.913   23.116   63.689   58.814   31.054   61.851   25.499   66.221   18.211 -4.370232 31.33473 
1 1 1   -6  -20   18 o  287.655   23.292  1114.36  165.877   0.0000   0.0000  1114.36  165.877  ?   ?   287.655   23.292 0.000000 23.29207 
1 1 1   -6  -20   19 o  191.066   13.323  470.195   63.169  681.046  107.316  358.404   78.141  226.642   19.140  163.810   19.485 62.83209 27.31319 
1 1 1   -6  -20   20 o  249.298   14.233  806.106   88.238  1084.76  141.276  627.877  112.986  284.279   20.029  214.964   21.330 69.31580 29.25932 
1 1 1   -6  -20   21 o   45.518   16.445   23.739   23.978   67.211   72.966   18.476   25.387   73.715   28.274   43.560   16.685 30.15436 32.83006 
1 1 1   -6  -20   22 o   68.281   28.393   43.810   79.931   43.810   79.931   0.0000   0.0000   68.281   28.393  ?   ?  0.000000 28.39329 
1 1 1   -6  -20   23 o  157.109   15.652  333.200   60.592  180.658   94.286  440.518   79.084  102.323   32.684  178.788   17.956 -76.46569 37.29128 
1 1 1   -6  -20   24 o  106.803   16.038  157.818   41.454  103.078   79.620  178.175   48.554   79.415   29.744  112.307   17.915 -32.89129 34.72216 
1 1 1   -6  -20   25 o   62.714   18.667   57.809   31.405 -172.9599  223.449   62.460   31.720   66.894   33.343   65.094   18.591 1.799538 38.17572 
1 1 1   -6  -20   26 f   82.303   19.143  101.988   38.602 -99.2389  239.252  107.366   39.114   68.850   34.348   84.632   18.976 -15.78261 39.24083 
1 1 1   -6  -20   27 o   85.545   19.459  112.356   40.632   0.0000   0.0000  112.356   40.632  ?   ?    85.545   19.459 0.000000 19.45945 
1 1 1   -6  -20   28 o  108.508   49.482  848.192  296.812  848.192  296.812   0.0000   0.0000  108.508   49.482  ?   ?  0.000000 49.48222 
1 1 1   -6  -19    1 o  219.250   19.089  611.640  103.470   0.0000   0.0000  611.640  103.470  ?   ?   219.250   19.089 0.000000 19.08892 
1 1 1   -6  -19    2 o  160.000   17.333  326.680   68.146   0.0000   0.0000  326.680   68.146  ?   ?   160.000   17.333 0.000000 17.33276 
1 1 1   -6  -19    3 o  315.738   16.082  1260.46  126.383  1368.31  181.080  1158.02  176.475  327.164   22.297  300.386   23.719 26.77850 32.55403 
1 1 1   -6  -19    4 o  130.999   12.372  217.571   39.993  217.100   60.867  217.928   53.052  129.444   19.430  130.304   16.687 -0.8606262 25.61217 
1 1 1   -6  -19    5 o  266.476   14.914  898.923   98.843  924.243  142.400  875.381  137.309  268.289   21.434  261.123   21.241 7.166138 30.17607 
1 1 1   -6  -19    6 f  109.283   20.519  157.193   53.939  157.193   53.939   0.0000   0.0000  109.283   20.519  ?   ?  0.000000 20.51881 
1 1 1   -6  -19    7 o  464.941   21.231  2772.92  246.504  3082.53  351.296  2472.61  345.983  483.750   29.218  430.498   32.421 53.25137 43.64424 
1 1 1   -6  -19    8 o  362.966   18.061  1680.91  163.702  1744.24  234.053  1620.25  229.047  364.884   25.854  351.334   26.298 13.54965 36.87819 
1 1 1   -6  -19    9 o  316.526   16.313  1278.40  128.505  1381.28  185.125  1182.73  178.523  325.718   22.906  300.698   23.974 25.01938 33.15746 
1 1 1   -6  -19   10 o  191.347   13.313  465.626   63.218  478.479   94.495  455.214   85.055  191.836   20.021  187.651   18.387 4.185043 27.18287 
1 1 1   -6  -19   11 o  321.138   24.373  1357.46  193.998   0.0000   0.0000  1357.46  193.998  ?   ?   321.138   24.373 0.000000 24.37289 
1 1 1   -6  -19   12 o  164.920   12.782  346.403   52.230  400.584   81.349  308.404   68.127  175.505   18.857  154.031   18.054 21.47411 26.10633 
1 1 1   -6  -19   13 o   94.561   14.286  116.121   32.684  107.440   57.777  120.206   39.635   88.909   24.986   95.471   17.260 -6.562050 30.36795 
1 1 1   -6  -19   14 o  120.493   13.001  186.216   38.500  255.456   66.787  151.755   47.117  139.251   19.761  107.205   18.254 32.04609 26.90148 
1 1 1   -6  -19   15 o  131.539   23.452  233.505   74.211  233.505   74.211   0.0000   0.0000  131.539   23.452  ?   ?  0.000000 23.45227 
1 1 1   -6  -19   16 o  234.641   13.911  703.568   81.149  848.482  123.697  594.078  107.520  254.988   19.576  212.676   20.499 42.31218 28.34459 
1 1 1   -6  -19   17 o   81.362   15.528   87.473   30.398  172.518   64.032   62.729   34.538  112.314   23.581   68.500   19.342 43.81349 30.49904 
1 1 1   -6  -19   18 o  107.197   14.796  149.706   38.552  177.069   74.665  139.759   45.017  112.336   26.960  102.436   18.268 9.900429 32.56603 
1 1 1   -6  -19   19 o  279.498   22.794  1045.86  157.707   0.0000   0.0000  1045.86  157.707  ?   ?   279.498   22.794 0.000000 22.79398 
1 1 1   -6  -19   20 o  144.143   14.677  269.959   52.094  258.778   92.564  275.142   63.022  134.362   28.472  144.212   17.884 -9.850906 33.62304 
1 1 1   -6  -19   21 o  203.304   15.583  539.743   78.508  478.270  126.936  577.826   99.910  182.112   28.876  207.899   19.471 -25.78716 34.82720 
1 1 1   -6  -19   22 o  149.816   15.996  297.266   58.920  130.347   97.944  391.927   73.759   93.303   33.292  171.314   17.486 -78.01140 37.60457 
1 1 1   -6  -19   23 o  103.230   30.179  167.808   82.703  167.808   82.703   0.0000   0.0000  103.230   30.179  ?   ?  0.000000 30.17854 
1 1 1   -6  -19   24 o   48.316   17.083   28.947   25.734 -25.3511   72.673   36.732   27.517   52.618   24.178   52.748   17.705 -0.1297340 29.96723 
1 1 1   -6  -19   25 o   97.935   17.816  135.451   41.965   69.526   84.159  157.268   48.414   72.018   29.457  104.758   19.215 -32.74066 35.16986 
1 1 1   -6  -19   26 o   37.775   15.538   9.5908   23.581   0.3686  215.379   9.7027   23.723   75.658   36.683   37.901   15.587 37.75784 39.85699 
1 1 1   -6  -19   27 o  143.462   17.641  295.344   61.868  679.136  263.301  272.915   63.650  125.819   51.856  136.258   19.242 -10.43962 55.31129 
1 1 1   -6  -19   28 o  206.670   18.399  626.422   93.962  1354.08  297.534  545.812   99.030  191.769   57.543  188.003   21.479 3.766068 61.42080 
1 1 1   -6  -19   29 o  213.220   20.043  699.614  105.466  986.422  304.158  660.418  112.442  121.411   53.029  202.044   22.677 -80.63334 57.67466 
1 1 1   -6  -18    1 o  713.750   31.331  6521.15  558.432  6992.89  791.695  6054.05  787.802  729.618   43.653  676.097   46.952 53.52161 64.10993 
1 1 1   -6  -18    2 o  143.464   12.101  259.856   42.947  294.010   64.387  232.483   57.643  151.858   17.287  134.768   17.544 17.09006 24.63000 
1 1 1   -6  -18    3 o  197.610   18.320  496.732   89.377   0.0000   0.0000  496.732   89.377  ?   ?   197.610   18.320 0.000000 18.32041 
1 1 1   -6  -18    4 f  193.955   12.204  473.959   58.809  594.255   87.098  373.164   79.726  216.585   16.222  170.797   19.015 45.78810 24.99459 
1 1 1   -6  -18    5 f   97.112   13.045  120.611   30.836  114.487   49.205  124.572   39.571   93.105   21.584   98.020   16.769 -4.914597 27.33240 
1 1 1   -6  -18    6 o  391.811   18.567  1945.61  181.661  2124.05  259.362  1773.77  254.520  405.890   25.722  369.807   27.764 36.08371 37.84739 
1 1 1   -6  -18    7 o  350.623   17.373  1557.84  152.112  1659.07  217.446  1460.83  212.864  358.519   24.433  335.792   25.578 22.72699 35.37242 
1 1 1   -6  -18    8 o  233.891   20.930  704.821  120.951  704.821  120.951   0.0000   0.0000  233.891   20.930  ?   ?  0.000000 20.92950 
1 1 1   -6  -18    9 o  129.554   12.596  213.568   40.235  228.675   63.306  203.330   52.116  132.393   19.753  125.388   17.089 7.004692 26.11898 
1 1 1   -6  -18   10 o  101.432   13.041  132.014   32.266  145.794   53.136  123.965   40.611  104.742   21.045   97.264   17.357 7.478020 27.27939 
1 1 1   -6  -18   11 o  355.649   17.750  1616.27  157.637  1706.06  226.095  1531.32  219.899  360.428   25.280  340.885   26.029 19.54254 36.28495 
1 1 1   -6  -18   12 o  224.685   19.685  654.106  109.333   0.0000   0.0000  654.106  109.333  ?   ?   224.685   19.685 0.000000 19.68461 
1 1 1   -6  -18   13 o  230.244   14.042  675.180   80.348  725.940  118.918  632.544  108.987  236.285   20.353  220.608   20.001 15.67728 28.53540 
1 1 1   -6  -18   14 o  140.240   13.200  251.411   45.683  255.487   73.323  248.825   58.404  138.683   21.899  138.381   17.277 0.3015747 27.89412 
1 1 1   -6  -18   15 o  196.121   13.591  490.588   66.151  525.513  100.883  464.244   87.617  200.436   20.442  188.941   18.820 11.49490 27.78608 
1 1 1   -6  -18   16 f  196.171   22.005  507.979  105.940  507.979  105.940   0.0000   0.0000  196.171   22.005  ?   ?  0.000000 22.00517 
1 1 1   -6  -18   17 o  130.396   13.313  218.175   42.743  291.859   74.955  182.668   52.032  148.469   20.787  117.754   18.288 30.71441 27.68659 
1 1 1   -6  -18   18 o  104.908   14.511  142.938   36.998  188.694   71.286  126.068   43.285  117.135   25.124   97.275   18.495 19.86010 31.19731 
1 1 1   -6  -18   19 o   43.477   16.308   18.588   23.953 -77.3918   61.823   35.541   25.982   42.842   20.482   53.092   17.178 -10.25003 26.73222 
1 1 1   -6  -18   20 o   68.917   17.935   63.891   31.162   16.521   75.028   73.767   34.257   64.310   27.174   73.910   18.581 -9.600151 32.91903 
1 1 1   -6  -18   21 o  193.396   15.752  485.776   75.413  335.870  117.988  589.316   98.057  151.486   32.183  211.478   18.763 -59.99190 37.25289 
1 1 1   -6  -18   22 o   69.109   18.010   64.983   31.395   15.945   71.411   76.733   34.955   62.111   26.391   74.915   18.734 -12.80387 32.36430 
1 1 1   -6  -18   23 o   52.189   17.620   34.347   27.254 -60.7618   70.619   50.991   29.543   48.131   22.680   61.344   18.066 -13.21367 28.99632 
1 1 1   -6  -18   24 o  152.300   28.130  347.126  103.041  347.126  103.041   0.0000   0.0000  152.300   28.130  ?   ?  0.000000 28.12957 
1 1 1   -6  -18   25 o   70.719   18.150   70.477   32.214   7.9842   77.399   83.570   35.428   59.953   26.450   76.862   18.648 -16.90873 32.36267 
1 1 1   -6  -18   26 o   78.906   18.030   88.735   34.749   15.223   89.877  101.655   37.680   63.158   28.147   84.390   18.399 -21.23199 33.62722 
1 1 1   -6  -18   27 o   73.521   30.090   80.951   87.882   80.951   87.882   0.0000   0.0000   73.521   30.090  ?   ?  0.000000 30.09004 
1 1 1   -6  -18   28 o  151.065   17.626  325.757   65.242  632.914  254.419  304.137   67.499  126.016   51.343  144.303   19.209 -18.28679 54.81823 
1 1 1   -6  -18   29 f  242.372   19.372  869.365  116.267  1543.24  313.482  761.881  125.197  213.712   57.485  219.770   23.161 -6.057343 61.97599 
1 1 1   -6  -18   30 o   88.700   19.592  121.771   42.237  143.021  286.219  121.298   42.705   75.389   37.603   88.285   19.852 -12.89638 42.52174 
1 1 1   -6  -17    1 o  243.826   20.675  754.178  124.700  754.178  124.700   0.0000   0.0000  243.826   20.675  ?   ?  0.000000 20.67511 
1 1 1   -6  -17    2 o  156.140   12.082  307.225   46.741  350.513   69.256  271.016   63.342  166.165   16.927  145.751   17.771 20.41426 24.54244 
1 1 1   -6  -17    3 o  318.420   16.488  1277.90  130.654  1301.18  186.512  1255.46  183.083  319.788   23.521  314.092   23.513 5.695557 33.25769 
1 1 1   -6  -17    4 o  176.808   17.657  397.505   76.915   0.0000   0.0000  397.505   76.915  ?   ?   176.808   17.657 0.000000 17.65658 
1 1 1   -6  -17    5 o  196.191   13.446  485.518   65.479  454.711   95.692  512.643   89.791  188.508   20.667  200.820   18.100 -12.31148 27.47198 
1 1 1   -6  -17    6 o  543.737   24.367  3767.96  330.860  4094.51  469.979  3447.11  465.862  560.739   33.720  512.433   36.648 48.30579 49.80058 
1 1 1   -6  -17    7 o  200.992   13.603  510.363   67.873  473.648   99.060  542.850   93.183  192.021   21.001  206.380   18.270 -14.35863 27.83554 
1 1 1   -6  -17    8 o  236.771   13.935  708.459   82.028  759.649  119.346  662.625  112.930  243.765   19.776  227.477   20.087 16.28767 28.18825 
1 1 1   -6  -17    9 o  360.124   26.558  1685.78  237.146  1685.78  237.146   0.0000   0.0000  360.124   26.558  ?   ?  0.000000 26.55758 
1 1 1   -6  -17   10 o  210.591   13.300  561.551   69.584  616.614  102.514  514.506   94.756  219.208   18.912  200.012   19.208 19.19615 26.95583 
1 1 1   -6  -17   11 o   77.028   15.013   77.652   27.841   37.960   47.578   98.321   34.333   61.517   23.002   86.611   16.476 -25.09372 28.29385 
1 1 1   -6  -17   12 o  150.969   12.510  289.623   46.737  334.865   72.541  257.513   61.112  160.887   18.386  141.017   17.747 19.86995 25.55379 
1 1 1   -6  -17   13 o  185.636   12.978  437.805   59.785  494.961   90.924  394.275   79.350  195.658   18.842  174.557   18.485 21.10110 26.39555 
1 1 1   -6  -17   14 o  121.790   13.957  190.428   41.683  149.221   69.713  213.358   52.002  104.431   26.645  128.310   16.620 -23.87907 31.40385 
1 1 1   -6  -17   15 o   92.056   14.167  109.967   31.523  131.785   56.711  100.211   37.922   98.616   23.384   86.880   18.068 11.73667 29.55064 
1 1 1   -6  -17   16 o  142.782   12.907  260.300   45.524  326.238   75.364  222.417   57.124  157.931   19.525  130.489   18.010 27.44115 26.56335 
1 1 1   -6  -17   17 o  199.033   13.269  504.739   65.571  613.558  101.243  426.110   86.060  217.423   18.833  180.719   19.372 36.70401 27.01753 
1 1 1   -6  -17   18 o  128.339   13.717  211.618   43.279  263.046   77.365  188.194   52.213  140.105   22.904  119.707   18.025 20.39739 29.14669 
1 1 1   -6  -17   19 o  106.019   15.212  146.340   39.119  103.054   71.223  165.040   46.812   87.723   28.447  112.094   17.279 -24.37110 33.28362 
1 1 1   -6  -17   20 o  119.769   14.762  185.889   43.218  127.555   73.843  216.281   53.300   95.812   28.648  128.598   17.015 -32.78593 33.31990 
1 1 1   -6  -17   21 o   51.080   17.103   32.051   25.677   30.527   62.608   32.359   28.154   63.494   25.614   51.990   17.902 11.50348 31.24973 
1 1 1   -6  -17   22 o  168.778   18.409  375.319   76.328   0.0000   0.0000  375.319   76.328  ?   ?   168.778   18.409 0.000000 18.40860 
1 1 1   -6  -17   23 o   85.080   16.868   97.238   34.571   77.683   73.175  102.857   39.225   78.416   28.668   87.001   18.617 -8.585182 34.18244 
1 1 1   -6  -17   24 o  129.488   16.314  222.391   51.583   68.186   91.691  293.793   62.392   78.238   31.192  148.655   17.120 -70.41634 35.58157 
1 1 1   -6  -17   25 o  122.803   31.169  235.712   95.746  235.712   95.746   0.0000   0.0000  122.803   31.169  ?   ?  0.000000 31.16885 
1 1 1   -6  -17   26 o   53.392   17.756   37.590   27.681   4.4268   82.209   41.831   29.397   60.934   27.052   55.860   18.285 5.073570 32.65137 
1 1 1   -6  -17   27 o   42.080   16.344   17.348   24.608 -28.2600   79.853   22.134   25.866   54.066   25.022   44.825   16.919 9.241837 30.20513 
1 1 1   -6  -17   28 o   52.984   17.603   38.539   27.210   21.507   85.991   40.434   28.684   62.239   27.647   54.141   18.077 8.098549 33.03274 
1 1 1   -6  -17   30 o   70.072   19.067   74.305   34.254  271.058  261.769   70.877   34.551   87.646   41.968   68.285   19.368 19.36040 46.22141 
1 1 1   -6  -17   31 o   85.356   19.426  112.125   40.475  493.832  283.132  104.162   40.895   93.597   44.490   81.529   20.192 12.06721 48.85794 
1 1 1   -6  -16    1 o  599.500   39.034  4628.96  581.179  4628.96  581.179   0.0000   0.0000  599.500   39.034  ?   ?  0.000000 39.03411 
1 1 1   -6  -16    2 o  133.267   12.418  224.321   40.849  209.820   60.628  236.377   55.281  127.712   19.639  136.242   16.591 -8.530029 25.70939 
1 1 1   -6  -16    3 o  846.438   37.190  9199.74  786.085  9563.25  1113.14  8838.11  1110.25  849.900   52.708  815.008   54.871 34.89233 76.08547 
1 1 1   -6  -16    4 o  210.855   13.413  559.588   70.260  566.547  101.826  553.264   97.070  211.235   19.525  208.847   18.814 2.387634 27.11451 
1 1 1   -6  -16    5 o  370.683   18.118  1729.71  167.708  1789.93  238.976  1671.27  235.413  374.708   25.695  361.861   26.230 12.84735 36.71807 
1 1 1   -6  -16    6 o  793.465   52.518  8497.09  1034.73   0.0000   0.0000  8497.09  1034.73  ?   ?   793.465   52.518 0.000000 52.51845 
1 1 1   -6  -16    7 o  320.377   16.194  1295.44  129.139  1420.29  185.066  1176.97  180.287  333.931   22.322  303.372   23.994 30.55914 32.77131 
1 1 1   -6  -16    8 o  245.118   14.049  757.963   85.638  831.741  124.494  691.693  117.989  255.597   19.656  232.745   20.510 22.85197 28.40801 
1 1 1   -6  -16    9 o  118.690   12.430  178.910   36.294  218.165   57.093  152.288   47.017  130.123   18.057  108.328   18.013 21.79475 25.50553 
1 1 1   -6  -16   10 o  178.706   19.658  410.642   86.275  410.642   86.275   0.0000   0.0000  178.706   19.658  ?   ?  0.000000 19.65783 
1 1 1   -6  -16   11 o  334.793   16.914  1424.60  140.949  1529.90  202.394  1325.45  196.406  344.111   23.698  319.674   24.798 24.43640 34.30006 
1 1 1   -6  -16   12 o   57.555   15.856   43.292   23.518   25.147   44.627   50.269   27.672   56.048   21.942   61.977   17.248 -5.929234 27.90964 
1 1 1   -6  -16   13 o  211.260   13.109  565.794   68.818  666.529  102.517  483.165   92.847  227.851   18.168  193.352   19.496 34.49948 26.64909 
1 1 1   -6  -16   14 o  215.807   14.178  592.434   75.984  567.915  112.188  613.214  103.278  208.656   21.855  217.943   19.172 -9.286911 29.07240 
1 1 1   -6  -16   15 f   64.477   17.703   54.849   29.372   0.0000   0.0000   54.849   29.372  ?   ?    64.477   17.703 0.000000 17.70262 
1 1 1   -6  -16   16 o  214.508   14.206  586.403   75.668  599.272  114.651  576.471  100.720  214.012   21.756  210.872   19.343 3.139725 29.11076 
1 1 1   -6  -16   17 o  171.631   14.039  376.352   59.642  321.854   92.068  415.758   78.289  154.982   24.612  179.286   17.718 -24.30347 30.32632 
1 1 1   -6  -16   18 o  160.557   13.698  329.491   54.395  291.945   83.974  356.635   71.399  147.753   23.550  165.918   17.496 -18.16547 29.33781 
1 1 1   -6  -16   19 o   85.038   26.097   97.028   60.720   97.028   60.720   0.0000   0.0000   85.038   26.097  ?   ?  0.000000 26.09709 
1 1 1   -6  -16   20 o  109.501   15.165  155.782   40.353   85.657   70.261  190.299   49.294   82.083   28.280  120.730   16.806 -38.64773 32.89729 
1 1 1   -6  -16   21 o  161.201   14.620  334.250   58.213  265.510   94.117  376.841   74.084  138.103   28.243  170.129   17.697 -32.02600 33.32957 
1 1 1   -6  -16   22 o  157.452   15.243  320.431   59.183  189.506   95.310  402.591   75.502  114.684   32.043  175.779   17.430 -61.09525 36.47682 
1 1 1   -6  -16   23 o   45.687   17.135   20.889   26.440   0.0000   0.0000   20.889   26.440  ?   ?    45.687   17.135 0.000000 17.13460 
1 1 1   -6  -16   24 f  203.870   15.582  540.320   78.727  458.309  124.961  594.297  101.376  179.419   28.870  211.627   19.399 -32.20789 34.78166 
1 1 1   -6  -16   25 o  104.622   16.640  146.310   42.018   93.239   90.733  160.800   47.408   84.270   31.714  109.203   18.013 -24.93321 36.47276 
1 1 1   -6  -16   26 o   77.492   29.575   77.717   79.590   77.717   79.590   0.0000   0.0000   77.492   29.575  ?   ?  0.000000 29.57535 
1 1 1   -6  -16   27 o   75.027   17.878   78.701   33.019  109.959   81.094   72.489   36.152   84.910   30.293   71.504   19.643 13.40579 36.10429 
1 1 1   -6  -16   28 o  122.638   16.440  205.920   49.081  114.309   97.045  237.407   56.893   84.304   32.536  130.789   17.889 -46.48532 37.12979 
1 1 1   -6  -16   29 o   44.262   16.641   22.231   24.969   27.952   86.253   21.708   26.086   63.643   28.007   44.444   16.939 19.19906 32.73069 
1 1 1   -6  -16   30 o   82.124   19.315   99.986   38.948   0.0000   0.0000   99.986   38.948  ?   ?    82.124   19.315 0.000000 19.31545 
1 1 1   -6  -16   32 o  101.474   18.973  155.097   46.311  167.962  285.173  154.748   46.934   78.228   38.768  101.061   19.301 -22.83314 43.30731 
1 1 1   -6  -15    1 o   68.390   13.332   60.582   21.951   73.649   32.908   50.106   29.463   75.111   17.814   62.486   17.940 12.62551 25.28197 
1 1 1   -6  -15    2 o  159.717   17.861  324.164   70.016  324.164   70.016   0.0000   0.0000  159.717   17.861  ?   ?  0.000000 17.86061 
1 1 1   -6  -15    3 o  726.715   31.487  6710.56  571.411  7329.20  810.032  6097.81  806.176  752.568   43.285  683.763   47.509 68.80420 64.27079 
1 1 1   -6  -15    4 o  572.868   24.405  4143.92  349.126  4790.96  496.754  3512.36  490.777  612.482   32.596  522.050   37.905 90.43201 49.99262 
1 1 1   -6  -15    5 o  550.695   24.412  3832.92  335.715  4177.91  476.889  3493.99  472.683  570.947   33.596  520.703   36.584 50.24487 49.67004 
1 1 1   -6  -15    6 o  371.567   17.467  1735.78  162.068  1973.65  231.658  1507.75  226.816  394.405   23.630  343.759   26.630 50.64594 35.60228 
1 1 1   -6  -15    7 o  267.604   21.173  909.876  140.333   0.0000   0.0000  909.876  140.333  ?   ?   267.604   21.173 0.000000 21.17281 
1 1 1   -6  -15    8 o  304.569   15.684  1169.55  118.881  1291.19  170.854  1055.39  165.519  318.715   21.594  287.583   23.247 31.13123 31.72911 
1 1 1   -6  -15    9 o  664.834   29.607  5680.18  491.543  6014.10  697.219  5350.19  693.093  673.745   41.644  633.131   44.113 40.61389 60.66497 
1 1 1   -6  -15   10 o  150.539   12.820  286.760   47.733  281.382   72.371  290.901   63.504  147.677   20.151  150.848   17.164 -3.171066 26.46949 
1 1 1   -6  -15   11 o  244.231   21.455  765.387  129.527  765.387  129.527   0.0000   0.0000  244.231   21.455  ?   ?  0.000000 21.45520 
1 1 1   -6  -15   12 o  130.191   13.077  215.561   41.940  215.143   66.608  215.835   53.984  128.124   21.586  129.441   17.121 -1.316757 27.55130 
1 1 1   -6  -15   13 o   83.124   15.231   90.077   30.452   43.918   52.908  112.941   37.237   65.444   24.298   93.024   16.641 -27.58012 29.45039 
1 1 1   -6  -15   14 o   54.793   15.479   39.078   22.115   72.984   42.274   26.303   25.949   74.485   21.519   48.539   17.155 25.94620 27.52045 
1 1 1   -6  -15   15 o  102.808   13.558  135.885   33.958  105.470   54.016  155.762   43.667   88.628   23.872  109.507   16.479 -20.87949 29.00739 
1 1 1   -6  -15   16 o  244.337   20.557  773.818  124.262   0.0000   0.0000  773.818  124.262  ?   ?   244.337   20.557 0.000000 20.55668 
1 1 1   -6  -15   17 o  257.029   15.800  844.097  100.923  726.262  146.675  950.046  139.081  234.073   25.506  270.571   20.742 -36.49782 32.87543 
1 1 1   -6  -15   18 o   98.119   14.340  124.683   34.100  111.188   58.375  131.672   42.013   90.581   24.993  100.093   17.443 -9.512199 30.47733 
1 1 1   -6  -15   19 o  190.514   14.333  463.667   67.687  395.339  102.291  516.889   90.278  172.101   24.493  199.838   18.294 -27.73712 30.57037 
1 1 1   -6  -15   20 o  172.856   22.289  395.227   93.968  395.227   93.968   0.0000   0.0000  172.856   22.289  ?   ?  0.000000 22.28854 
1 1 1   -6  -15   21 o  213.164   15.012  582.193   79.401  508.429  120.142  639.398  105.800  194.612   25.321  221.641   19.308 -27.02908 31.84299 
1 1 1   -6  -15   22 f   64.652   17.341   55.634   28.574   52.644   63.337   56.398   32.017   70.321   26.491   65.226   18.694 5.094284 32.42270 
1 1 1   -6  -15   23 o  149.996   14.652  290.089   54.182  251.041   91.783  310.975   67.126  133.906   28.332  154.251   17.750 -20.34453 33.43315 
1 1 1   -6  -15   24 o  234.682   20.698  728.752  120.056   0.0000   0.0000  728.752  120.056  ?   ?   234.682   20.698 0.000000 20.69778 
1 1 1   -6  -15   25 o   30.955   13.695  -5.9604   20.892 -122.4876   72.398   4.6251   21.821   42.449   20.734   35.688   14.837 6.761520 25.49597 
1 1 1   -6  -15   26 o   30.142   13.520  -8.6367   21.094 -82.6050   71.008  -1.4772   22.092   45.774   21.902   33.396   14.441 12.37751 26.23442 
1 1 1   -6  -15   27 o   49.793   17.370   30.324   26.545 -32.7761   76.813   38.882   28.288   54.286   24.912   54.630   17.939 -0.3439560 30.69850 
1 1 1   -6  -15   28 f   71.256   29.039   55.845   81.415   55.845   81.415   0.0000   0.0000   71.256   29.039  ?   ?  0.000000 29.03927 
1 1 1   -6  -15   29 o  102.579   17.109  145.666   42.282   78.858   94.886  162.219   47.231   76.597   31.298  107.695   18.212 -31.09822 36.21081 
1 1 1   -6  -15   30 o   94.057   18.038  125.880   40.825   30.716   97.755  145.984   44.931   66.560   29.526  101.175   18.464 -34.61502 34.82436 
1 1 1   -6  -15   31 o   43.596   16.942   20.036   26.452   0.0000   0.0000   20.036   26.452  ?   ?    43.596   16.942 0.000000 16.94166 
1 1 1   -6  -15   32 o  107.554   19.036  170.403   49.257   0.0000   0.0000  170.403   49.257  ?   ?   107.554   19.036 0.000000 19.03606 
1 1 1   -6  -15   33 o   45.269   18.258   21.156   31.808   0.0000   0.0000   21.156   31.808  ?   ?    45.269   18.258 0.000000 18.25841 
1 1 1   -6  -15   34 o   71.377   36.129   78.614  319.208   78.614  319.208   0.0000   0.0000   71.377   36.129  ?   ?  0.000000 36.12851 
1 1 1   -6  -14    1 o  197.459   12.866  490.134   63.092  491.069   90.047  489.233   88.427  196.938   18.528  196.613   18.217 0.3247986 25.98374 
1 1 1   -6  -14    2 o  221.083   13.627  614.376   74.864  564.328  106.551  663.170  105.208  210.925   20.488  229.104   18.548 -18.17892 27.63675 
1 1 1   -6  -14    3 o  315.143   23.462  1257.82  183.314  1257.82  183.314   0.0000   0.0000  315.143   23.462  ?   ?  0.000000 23.46172 
1 1 1   -6  -14    4 o  148.831   12.283  279.154   45.243  261.814   65.328  295.136   62.718  143.189   18.718  152.480   16.747 -9.291000 25.11645 
1 1 1   -6  -14    5 o  381.537   18.383  1828.53  175.148  1936.54  248.901  1722.58  246.510  390.729   25.652  368.097   27.006 22.63232 37.24716 
1 1 1   -6  -14    6 o  471.566   21.932  2802.17  258.266  2826.31  366.266  2778.29  364.229  470.370   31.362  466.307   31.463 4.062683 44.42398 
1 1 1   -6  -14    7 f  276.429   15.263  961.646  104.950  956.891  150.102  966.193  146.796  274.570   22.079  276.032   21.465 -1.461853 30.79308 
1 1 1   -6  -14    8 o  268.558   21.216  915.621  141.126   0.0000   0.0000  915.621  141.126  ?   ?   268.558   21.216 0.000000 21.21622 
1 1 1   -6  -14    9 o  721.393   31.394  6671.40  565.554  7336.61  802.237  6014.17  797.414  746.820   43.201  672.118   47.822 74.70190 64.44614 
1 1 1   -6  -14   10 o  395.923   19.136  1979.52  189.198  2036.43  269.433  1924.16  265.737  398.416   27.244  387.064   27.675 11.35147 38.83526 
1 1 1   -6  -14   11 o  226.624   14.183  648.370   79.863  606.855  115.297  686.661  110.728  217.654   21.494  232.196   19.270 -14.54205 28.86741 
1 1 1   -6  -14   12 o  294.816   15.788  1099.53  115.812  1147.67  166.090  1053.98  161.569  299.286   22.385  286.619   22.761 12.66675 31.92432 
1 1 1   -6  -14   13 o  182.594   13.186  421.910   59.720  424.133   87.386  419.963   81.805  181.641   19.575  181.050   18.347 0.5907135 26.82876 
1 1 1   -6  -14   14 o  141.231   13.106  253.503   45.697  211.897   69.039  285.943   60.962  126.729   22.647  149.314   16.632 -22.58454 28.09807 
1 1 1   -6  -14   15 o  161.245   13.226  330.280   52.788  289.731   78.932  363.091   71.003  148.688   21.915  168.179   17.146 -19.49095 27.82590 
1 1 1   -6  -14   16 o  185.257   13.334  435.839   61.271  439.126   91.260  433.140   82.676  183.999   20.193  183.333   18.303 0.6652679 27.25418 
1 1 1   -6  -14   17 o  100.369   17.626  132.130   42.565   0.0000   0.0000  132.130   42.565  ?   ?   100.369   17.626 0.000000 17.62552 
1 1 1   -6  -14   18 o   93.052   14.467  112.310   32.526   97.076   55.565  120.250   40.117   85.176   24.690   95.632   17.441 -10.45633 30.22873 
1 1 1   -6  -14   19 o  393.109   20.192  1997.48  197.553  1882.08  282.821  2107.43  276.066  373.469   30.594  397.702   27.976 -24.23376 41.45625 
1 1 1   -6  -14   20 o  241.404   15.797  745.789   94.702  612.114  139.671  859.538  128.842  213.746   26.753  257.296   20.215 -43.54948 33.53199 
1 1 1   -6  -14   21 o  121.904   24.781  201.645   72.867  201.645   72.867   0.0000   0.0000  121.904   24.781  ?   ?  0.000000 24.78106 
1 1 1   -6  -14   22 o  176.715   14.239  399.643   62.303  372.406   98.253  417.960   80.574  166.751   24.310  179.380   18.241 -12.62828 30.39301 
1 1 1   -6  -14   23 o   99.963   16.136  130.946   38.907   63.311   73.966  156.819   45.748   76.146   28.639  109.234   17.351 -33.08764 33.48510 
1 1 1   -6  -14   24 f  143.932   18.012  271.342   63.322   0.0000   0.0000  271.342   63.322  ?   ?   143.932   18.012 0.000000 18.01198 
1 1 1   -6  -14   26 o  181.576   15.381  428.085   69.087  359.894  114.692  466.919   86.552  158.149   30.142  188.023   18.681 -29.87337 35.46124 
1 1 1   -6  -14   27 o  153.043   15.505  307.038   58.440  223.530  102.354  347.428   71.184  120.807   32.996  161.638   17.938 -40.83078 37.55685 
1 1 1   -6  -14   28 o   94.335   16.545  120.161   37.554  155.279   86.236  111.942   41.718  100.368   31.151   89.916   19.165 10.45125 36.57409 
1 1 1   -6  -14   29 o   67.033   28.386   34.975   82.154   34.975   82.154   0.0000   0.0000   67.033   28.386  ?   ?  0.000000 28.38570 
1 1 1   -6  -14   30 o  141.154   16.084  270.338   55.682  204.660  107.223  294.590   65.156  106.867   34.917  145.769   18.303 -38.90134 39.42331 
1 1 1   -6  -14   31 o   47.578   17.392   27.565   26.933 -65.2883   88.003   37.161   28.290   51.533   24.582   52.626   17.951 -1.093227 30.43849 
1 1 1   -6  -14   32 o   43.802   16.835   20.876   25.902   0.0000   0.0000   20.876   25.902  ?   ?    43.802   16.835 0.000000 16.83536 
1 1 1   -6  -14   33 o   82.406   19.534  101.938   39.584   0.0000   0.0000  101.938   39.584  ?   ?    82.406   19.534 0.000000 19.53356 
1 1 1   -6  -14   34 f   36.773   15.457   7.5848   24.072   0.0000   0.0000   7.5848   24.072  ?   ?    36.773   15.457 0.000000 15.45713 
1 1 1   -6  -14   35 o   66.948   34.217 -162.7825  343.405 -162.7825  343.405   0.0000   0.0000   66.948   34.217  ?   ?  0.000000 34.21657 
1 1 1   -6  -13    1 o  423.842   20.136  2256.87  213.121  2138.22  301.652  2375.12  301.146  410.056   29.659  432.691   28.021 -22.63449 40.80234 
1 1 1   -6  -13    2 o  753.212   32.835  7199.79  617.599  7673.84  874.681  6728.46  872.158  770.616   45.656  719.680   48.818 50.93634 66.84101 
1 1 1   -6  -13    3 o  194.766   12.867  476.900   62.229  468.007   88.747  485.502   87.282  192.190   18.730  195.883   18.046 -3.692337 26.00902 
1 1 1   -6  -13    4 f  581.799   37.829  4337.93  546.610  4337.93  546.610   0.0000   0.0000  581.799   37.829  ?   ?  0.000000 37.82859 
1 1 1   -6  -13    5 o  527.783   23.913  3510.17  315.160  3674.32  446.596  3347.33  444.818  536.641   33.493  511.595   35.029 25.04630 48.46460 
1 1 1   -6  -13    6 o  520.061   22.955  3407.17  298.112  3857.94  423.360  2963.84  419.849  550.590   30.917  480.977   35.200 69.61292 46.84967 
1 1 1   -6  -13    7 o  583.486   26.206  4303.77  381.845  4431.80  541.133  4176.81  538.893  587.421   37.080  569.765   38.095 17.65656 53.16142 
1 1 1   -6  -13    8 o  747.964   33.040  7136.20  617.131  7318.56  873.991  6954.86  871.523  748.120   47.022  728.408   48.185 19.71161 67.32662 
1 1 1   -6  -13    9 o  304.146   22.855  1174.73  172.318   0.0000   0.0000  1174.73  172.318  ?   ?   304.146   22.855 0.000000 22.85516 
1 1 1   -6  -13   10 o  128.610   12.886  209.447   40.827  178.816   61.247  233.944   54.771  117.156   21.735  135.425   16.539 -18.26926 27.31225 
1 1 1   -6  -13   11 o  409.020   19.287  2111.69  196.997  2282.46  280.675  1945.88  276.561  422.344   26.751  389.126   28.663 33.21793 39.20659 
1 1 1   -6  -13   12 o  370.742   18.662  1740.79  172.219  1674.65  245.154  1805.22  241.987  360.670   27.425  375.105   25.994 -14.43442 37.78645 
1 1 1   -6  -13   13 o  312.662   16.163  1236.43  125.769  1333.02  180.410  1145.09  175.423  322.774   22.524  298.647   23.717 24.12747 32.70841 
1 1 1   -6  -13   14 o   44.203   18.770   1.2220   36.083   1.2220   36.083   0.0000   0.0000   44.203   18.770  ?   ?  0.000000 18.77049 
1 1 1   -6  -13   15 o  289.372   15.914  1062.67  114.553  1058.23  164.761  1066.83  159.378  286.173   23.257  287.706   22.359 -1.532806 32.26149 
1 1 1   -6  -13   16 o  285.325   16.135  1035.49  114.494  964.795  164.750  1101.52  159.228  272.133   24.506  292.056   21.994 -19.92258 32.92850 
1 1 1   -6  -13   17 f  185.132   13.078  434.840   60.071  479.875   90.385  399.209   80.397  192.895   19.011  175.909   18.583 16.98665 26.58506 
1 1 1   -6  -13   18 o  242.834   20.504  762.936  123.174   0.0000   0.0000  762.936  123.174  ?   ?   242.834   20.504 0.000000 20.50403 
1 1 1   -6  -13   19 o  245.320   15.208  767.150   92.706  718.236  136.109  809.480  126.617  233.986   23.617  249.991   20.462 -16.00475 31.24829 
1 1 1   -6  -13   20 o   55.623   16.938   39.739   25.640   24.857   52.051   44.508   29.463   58.746   23.475   58.922   18.195 -0.1753006 29.70080 
1 1 1   -6  -13   21 o  236.032   15.414  711.895   90.351  619.606  133.764  789.330  122.527  215.978   25.280  246.682   20.064 -30.70390 32.27446 
1 1 1   -6  -13   22 o  200.211   22.672  528.097  111.354  528.097  111.354   0.0000   0.0000  200.211   22.672  ?   ?  0.000000 22.67212 
1 1 1   -6  -13   23 o  198.908   14.524  505.904   71.644  489.529  111.210  517.522   93.672  191.982   23.700  199.541   19.029 -7.559204 30.39431 
1 1 1   -6  -13   24 o   63.493   18.421   53.141   30.919 -26.6862   70.869   71.907   34.361   54.862   24.680   73.283   18.711 -18.42133 30.97154 
1 1 1   -6  -13   25 o   99.611   16.068  130.184   38.608  147.605   78.790  124.679   44.290  102.617   29.298   96.577   19.041 6.040131 34.94167 
1 1 1   -6  -13   26 o  193.751   15.505  484.879   74.391  408.133  121.240  531.219   94.210  170.434   29.558  201.234   18.971 -30.79976 35.12249 
1 1 1   -6  -13   27 o  129.184   15.944  218.613   50.344  138.325   97.042  248.178   58.889   98.428   33.248  137.083   17.610 -38.65529 37.62397 
1 1 1   -6  -13   28 o   79.352   17.555   85.581   33.864  114.787   83.477   79.829   37.049   89.810   30.832   76.164   19.420 13.64529 36.43859 
1 1 1   -6  -13   29 o   47.866   17.223   26.613   26.265   54.936   78.708   23.064   27.862   71.917   28.822   46.800   17.582 25.11715 33.76104 
1 1 1   -6  -13   30 o   79.101   30.732   84.871   87.026   84.871   87.026   0.0000   0.0000   79.101   30.732  ?   ?  0.000000 30.73182 
1 1 1   -6  -13   31 o   72.286   18.290   74.174   33.041   71.235   89.712   74.635   35.540   74.613   30.454   72.157   19.333 2.455246 36.07214 
1 1 1   -6  -13   32 o   55.093   18.262   41.671   29.290 -66.6491   94.608   53.154   30.804   53.442   25.491   61.075   18.558 -7.632973 31.53062 
1 1 1   -6  -13   33 o   52.973   18.240   38.178   29.224   0.0000   0.0000   38.178   29.224  ?   ?    52.973   18.240 0.000000 18.23969 
1 1 1   -6  -13   34 o   45.244   17.419   23.200   27.763   0.0000   0.0000   23.200   27.763  ?   ?    45.244   17.419 0.000000 17.41923 
1 1 1   -6  -13   35 o   41.481   16.311   18.093   24.755   0.0000   0.0000   18.093   24.755  ?   ?    41.481   16.311 0.000000 16.31131 
1 1 1   -6  -13   36 o   48.275   17.976   31.604   29.000   0.0000   0.0000   31.604   29.000  ?   ?    48.275   17.976 0.000000 17.97631 
1 1 1   -6  -12    1 o  327.381   16.676  1347.49  135.882  1372.11  192.979  1323.29  191.363  329.237   23.629  323.251   23.875 5.986267 33.59129 
1 1 1   -6  -12    2 o  687.581   30.482  5986.93  523.380  5906.76  740.433  6067.00  739.908  676.508   44.070  685.984   43.417 -9.476074 61.86411 
1 1 1   -6  -12    3 o  308.362   15.914  1194.94  122.123  1279.58  173.553  1111.93  171.876  318.224   21.974  296.290   23.421 21.93405 32.11549 
1 1 1   -6  -12    4 o  308.320   15.775  1194.47  121.049  1323.49  172.172  1068.35  170.222  323.761   21.416  290.346   23.684 33.41461 31.93083 
1 1 1   -6  -12    5 o   92.677   18.328  111.539   40.914  111.539   40.914   0.0000   0.0000   92.677   18.328  ?   ?  0.000000 18.32782 
1 1 1   -6  -12    6 o   85.111   12.991   92.756   26.736  107.568   39.106   79.756   36.636   91.036   17.840   78.154   18.964 12.88140 26.03698 
1 1 1   -6  -12    7 o  714.844   30.510  6477.16  544.633  7340.09  772.500  5624.32  767.974  755.362   41.108  657.887   47.057 97.47522 62.48391 
1 1 1   -6  -12    8 f  184.703   13.010  429.307   59.625  399.694   85.969  456.756   82.766  177.243   19.759  189.946   17.651 -12.70293 26.49514 
1 1 1   -6  -12    9 o  674.292   29.737  5771.58  500.722  6090.88  709.635  5454.98  706.632  686.198   41.609  647.969   43.930 38.22827 60.50779 
1 1 1   -6  -12   10 o  218.705   19.251  606.426  104.066   0.0000   0.0000  606.426  104.066  ?   ?   218.705   19.251 0.000000 19.25080 
1 1 1   -6  -12   11 o  535.132   24.361  3626.97  325.540  3741.86  462.115  3513.79  458.671  538.695   34.534  521.521   35.429 17.17365 49.47569 
1 1 1   -6  -12   12 o  281.421   15.503  998.474  108.531  1001.65  155.606  995.465  151.450  280.411   22.409  279.675   21.859 0.7367859 31.30470 
1 1 1   -6  -12   13 o  407.239   19.585  2096.65  199.167  2156.35  283.513  2038.48  279.851  409.529   27.889  397.942   28.347 11.58633 39.76601 
1 1 1   -6  -12   14 o  400.727   19.386  2033.78  193.995  2093.05  276.542  1976.36  272.210  402.720   27.666  391.103   28.058 11.61755 39.40398 
1 1 1   -6  -12   15 o  216.471   20.560  601.171  109.805  601.171  109.805   0.0000   0.0000  216.471   20.560  ?   ?  0.000000 20.55977 
1 1 1   -6  -12   16 o  103.240   13.534  136.565   34.051  130.568   54.123  140.495   43.807   99.102   22.397  103.902   17.506 -4.800308 28.42691 
1 1 1   -6  -12   17 o  138.971   12.951  245.547   44.428  250.717   68.752  241.840   58.215  138.639   20.475  136.924   17.420 1.714951 26.88285 
1 1 1   -6  -12   18 o  256.120   14.950  833.503   95.201  852.252  138.729  816.814  130.883  256.506   21.867  251.417   21.040 5.088730 30.34559 
1 1 1   -6  -12   19 o  254.389   15.439  824.101   97.613  771.408  142.933  870.156  133.627  242.817   23.881  259.401   20.804 -16.58417 31.67193 
1 1 1   -6  -12   20 o  238.892   14.897  726.725   88.427  718.938  131.472  733.157  119.493  234.619   22.725  237.991   20.300 -3.371811 30.47165 
1 1 1   -6  -12   21 o  544.212   25.956  3888.18  352.736  3841.98  502.196  3933.16  495.557  524.714   38.598  532.469   37.509 -7.754456 53.82085 
1 1 1   -6  -12   22 o  148.995   14.224  284.063   52.281  233.272   83.991  316.189   66.799  130.989   26.586  156.371   17.402 -25.38202 31.77444 
1 1 1   -6  -12   23 o  187.601   18.788  456.404   86.834   0.0000   0.0000  456.404   86.834  ?   ?   187.601   18.788 0.000000 18.78794 
1 1 1   -6  -12   24 o  205.439   23.477  558.530  118.277  558.530  118.277   0.0000   0.0000  205.439   23.477  ?   ?  0.000000 23.47664 
1 1 1   -6  -12   25 o  101.264   16.216  134.218   39.622   93.855   78.118  148.198   45.974   85.930   29.807  105.997   18.013 -20.06752 34.82769 
1 1 1   -6  -12   26 o  175.125   14.375  393.537   62.308  432.109  105.259  372.731   77.308  179.424   24.102  168.860   18.645 10.56329 30.47175 
1 1 1   -6  -12   27 o   72.506   17.894   70.695   32.202   59.527   74.347   73.274   35.727   74.643   28.562   73.674   19.218 0.9687729 34.42526 
1 1 1   -6  -12   28 o  114.922   18.198  176.055   50.486   0.0000   0.0000  176.055   50.486  ?   ?   114.922   18.198 0.000000 18.19826 
1 1 1   -6  -12   29 o   74.396   17.912   75.519   32.879   63.360   81.615   77.874   35.923   75.668   29.660   75.302   19.080 0.3663330 35.26713 
1 1 1   -6  -12   30 o   29.825   13.416  -8.9511   20.937  -5.6869   79.464  -9.1946   21.704   59.693   26.544   30.371   13.661 29.32239 29.85303 
1 1 1   -6  -12   31 f   61.354   27.300   1.0991   84.181   1.0991   84.181   0.0000   0.0000   61.354   27.300  ?   ?  0.000000 27.29959 
1 1 1   -6  -12   32 o   65.725   18.468   61.188   31.567   65.595   93.215   60.617   33.549   73.971   30.703   65.329   19.256 8.642052 36.24154 
1 1 1   -6  -12   33 o   41.269   15.810   17.629   22.799   46.823   97.943   15.957   23.443   69.692   30.271   40.778   15.920 28.91470 34.20194 
1 1 1   -6  -12   34 o   47.253   17.072   28.014   25.840   47.748  105.502   26.754   26.652   69.600   30.784   46.875   17.276 22.72447 35.30067 
1 1 1   -6  -12   35 o   80.748   19.187   97.142   38.118   0.0000   0.0000   97.142   38.118  ?   ?    80.748   19.187 0.000000 19.18694 
1 1 1   -6  -12   36 o   48.248   17.411   31.151   26.866   0.0000   0.0000   31.151   26.866  ?   ?    48.248   17.411 0.000000 17.41114 
1 1 1   -6  -12   37 o   40.670   16.085   17.697   24.203   0.0000   0.0000   17.697   24.203  ?   ?    40.670   16.085 0.000000 16.08513 
1 1 1   -6  -11    1 o  448.375   21.000  2528.96  235.131  2524.20  332.941  2533.70  332.113  445.239   30.122  446.120   29.986 -0.8806152 42.50274 
1 1 1   -6  -11    2 o  406.365   27.874  2097.26  281.149   0.0000   0.0000  2097.26  281.149  ?   ?   406.365   27.874 0.000000 27.87421 
1 1 1   -6  -11    3 o  173.943   12.425  380.602   53.615  337.049   76.344  422.987   75.314  162.732   19.153  182.913   16.672 -20.18100 25.39277 
1 1 1   -6  -11    4 o  250.117   13.914  785.794   86.562  902.278  123.281  672.521  121.571  267.487   18.571  230.318   21.381 37.16925 28.32050 
1 1 1   -6  -11    5 o  764.129   33.576  7413.56  640.687  7578.71  906.803  7248.93  905.336  764.820   47.717  747.325   48.780 17.49487 68.23770 
1 1 1   -6  -11    6 o  440.990   20.740  2443.79  228.392  2449.81  323.465  2437.80  322.526  439.105   29.673  438.024   29.661 1.080414 41.95550 
1 1 1   -6  -11    7 o  262.917   21.219  874.540  138.124  874.540  138.124   0.0000   0.0000  262.917   21.219  ?   ?  0.000000 21.21853 
1 1 1   -6  -11    8 o  713.249   31.531  6451.65  561.600  6535.14  795.050  6368.50  793.398  710.886   45.019  701.450   45.541 9.435913 64.03619 
1 1 1   -6  -11    9 o  683.606   30.201  5923.86  515.554  6153.46  730.295  5695.76  727.918  690.446   42.564  663.333   44.197 27.11340 61.36002 
1 1 1   -6  -11   10 o  459.202   21.275  2654.48  243.967  2788.72  346.411  2522.37  343.648  467.942   29.800  444.534   31.154 23.40771 43.11145 
1 1 1   -6  -11   11 o  182.979   12.752  421.437   57.902  470.855   84.826  378.321   79.232  192.768   17.823  172.470   18.696 20.29825 25.83040 
1 1 1   -6  -11   12 o  499.052   33.291  3202.83  412.498   0.0000   0.0000  3202.83  412.498  ?   ?   499.052   33.291 0.000000 33.29083 
1 1 1   -6  -11   13 o  170.578   12.355  366.689   52.273  453.009   77.795  295.635   70.581  189.053   16.648  151.985   19.013 37.06889 25.27159 
1 1 1   -6  -11   14 o  137.250   12.650  238.372   42.869  255.168   64.834  225.324   57.144  140.950   18.896  132.542   17.708 8.407257 25.89609 
1 1 1   -6  -11   15 o  276.841   15.732  968.757  108.307  892.403  155.341  1040.98  151.085  263.561   23.861  285.581   21.340 -22.01990 32.01155 
1 1 1   -6  -11   16 o  252.453   21.713  817.721  135.551  817.721  135.551   0.0000   0.0000  252.453   21.713  ?   ?  0.000000 21.71294 
1 1 1   -6  -11   17 o  145.890   12.663  269.866   45.675  305.449   69.863  243.304   60.361  154.027   18.536  137.352   18.034 16.67502 25.86124 
1 1 1   -6  -11   18 o  291.978   16.360  1083.97  118.805  1016.75  171.090  1146.56  165.101  279.516   24.768  298.034   22.346 -18.51837 33.35870 
1 1 1   -6  -11   19 o  226.064   14.613  649.241   82.051  593.770  119.972  697.987  112.466  213.495   22.858  232.902   19.517 -19.40755 30.05701 
1 1 1   -6  -11   20 o  170.735   14.259  371.403   60.238  258.230   90.667  460.836   80.598  138.286   27.224  189.501   17.220 -51.21457 32.21326 
1 1 1   -6  -11   21 o  336.193   25.147  1481.75  209.590   0.0000   0.0000  1481.75  209.590  ?   ?   336.193   25.147 0.000000 25.14716 
1 1 1   -6  -11   22 o  110.380   14.514  157.032   39.037  139.426   67.647  165.822   47.799  101.209   26.466  112.712   17.554 -11.50317 31.75807 
1 1 1   -6  -11   23 o  319.112   17.804  1306.47  141.307  1218.26  205.935  1384.96  194.254  302.542   27.560  325.026   24.105 -22.48413 36.61443 
1 1 1   -6  -11   24 o  210.110   14.533  563.208   75.783  571.963  116.738  556.831   99.631  208.589   22.782  207.171   19.487 1.418213 29.97931 
1 1 1   -6  -11   25 o  182.362   23.928  441.927  106.337  441.927  106.337   0.0000   0.0000  182.362   23.928  ?   ?  0.000000 23.92823 
1 1 1   -6  -11   26 o  170.720   14.771  373.837   62.352  331.682  102.407  398.672   78.601  155.861   27.306  175.156   18.238 -19.29533 32.83669 
1 1 1   -6  -11   27 o  203.398   15.436  531.911   77.817  457.085  123.366  581.358  100.285  182.604   27.943  211.055   19.239 -28.45131 33.92576 
1 1 1   -6  -11   28 o  203.675   15.181  534.594   76.659  526.013  124.524  539.830   97.278  196.324   26.042  202.686   19.459 -6.362045 32.50903 
1 1 1   -6  -11   29 o   77.510   19.231   81.816   37.044   0.0000   0.0000   81.816   37.044  ?   ?    77.510   19.231 0.000000 19.23087 
1 1 1   -6  -11   30 o  180.949   16.104  429.532   72.007  303.352  121.428  497.970   89.428  139.807   34.892  193.319   18.761 -53.51271 39.61583 
1 1 1   -6  -11   31 o   84.986   17.418   98.712   35.723   43.654   89.499  109.146   38.961   71.789   29.965   89.191   18.111 -17.40233 35.01252 
1 1 1   -6  -11   32 o  126.709   16.756  217.162   51.717   99.246  105.461  254.497   59.342   84.176   33.486  136.655   17.813 -52.47945 37.92910 
1 1 1   -6  -11   33 o   39.967   15.637   14.591   22.655   10.967   87.496   14.852   23.455   62.773   27.886   40.497   15.892 22.27567 32.09669 
1 1 1   -6  -11   34 f   61.706   17.539   54.039   28.302  135.803   96.411   46.328   29.606   88.268   32.795   57.564   18.307 30.70411 37.55838 
1 1 1   -6  -11   35 o  107.952   17.085  163.915   44.525  148.699  117.773  166.452   48.094   88.051   35.267  107.773   18.539 -19.72253 39.84268 
1 1 1   -6  -11   36 o   47.776   17.233   29.493   26.315   0.0000   0.0000   29.493   26.315  ?   ?    47.776   17.233 0.000000 17.23317 
1 1 1   -6  -11   37 o   87.189   19.326  115.237   40.973   0.0000   0.0000  115.237   40.973  ?   ?    87.189   19.326 0.000000 19.32610 
1 1 1   -6  -10    1 o  258.398   14.449  839.657   92.863  850.653  131.615  828.755  131.042  259.165   20.504  255.752   20.696 3.413132 29.13292 
1 1 1   -6  -10    2 o  341.966   17.254  1471.63  146.864  1419.71  207.940  1523.31  207.455  334.400   25.084  346.662   24.115 -12.26208 34.79538 
1 1 1   -6  -10    3 o  581.881   37.804  4346.15  546.344   0.0000   0.0000  4346.15  546.344  ?   ?   581.881   37.804 0.000000 37.80441 
1 1 1   -6  -10    4 o  537.311   24.457  3639.04  328.149  3559.68  464.329  3718.24  463.818  527.574   35.450  539.541   34.607 -11.96704 49.54197 
1 1 1   -6  -10    5 f  407.445   19.425  2084.75  197.646  2141.96  280.075  2028.00  278.957  410.943   27.450  399.656   28.131 11.28677 39.30460 
1 1 1   -6  -10    6 o  759.877   33.332  7328.58  632.488  7594.29  895.352  7063.90  893.596  766.097   47.029  737.788   48.777 28.30920 67.75636 
1 1 1   -6  -10    7 o  934.747   40.596 11174.43  947.596 11810.53  1341.58 10541.14  1338.63  948.766   56.888  893.458   60.352 55.30756 82.93678 
1 1 1   -6  -10    8 o  661.560   42.555  5633.23  699.286  5633.23  699.286   0.0000   0.0000  661.560   42.555  ?   ?  0.000000 42.55453 
1 1 1   -6  -10    9 o  389.264   18.493  1901.91  179.765  2099.75  255.433  1707.77  253.036  407.333   25.236  366.630   27.846 40.70303 37.57982 
1 1 1   -6  -10   10 o  409.524   19.092  2106.42  195.247  2338.45  277.735  1879.71  274.533  429.649   26.009  384.383   28.811 45.26639 38.81360 
1 1 1   -6  -10   11 o  237.457   14.070  708.936   83.059  735.763  119.252  683.659  115.754  241.092   19.988  232.312   20.153 8.780014 28.38392 
1 1 1   -6  -10   12 o  473.557   21.861  2826.32  258.524  2957.19  367.094  2697.56  364.142  481.307   30.703  459.184   31.956 22.12274 44.31493 
1 1 1   -6  -10   13 o  226.146   19.602  648.814  109.603   0.0000   0.0000  648.814  109.603  ?   ?   226.146   19.602 0.000000 19.60194 
1 1 1   -6  -10   14 o  200.542   13.352  506.720   66.482  529.667   96.985  486.379   91.310  204.085   19.258  195.554   18.935 8.531189 27.00770 
1 1 1   -6  -10   15 o  461.482   21.709  2697.96  250.176  2733.46  355.492  2663.12  352.137  460.069   31.126  454.027   31.249 6.041779 44.10540 
1 1 1   -6  -10   16 o  229.755   14.207  666.436   81.109  660.956  117.599  671.409  112.014  227.346   20.950  229.451   19.742 -2.105469 28.78586 
1 1 1   -6  -10   17 f  338.958   25.471  1482.16  214.025  1482.16  214.025   0.0000   0.0000  338.958   25.471  ?   ?  0.000000 25.47149 
1 1 1   -6  -10   18 o  101.738   13.995  132.870   34.613  103.589   54.797  152.308   44.648   88.369   24.146  108.408   17.056 -20.03918 29.56200 
1 1 1   -6  -10   19 o  147.861   13.772  278.206   50.265  183.516   75.634  353.112   67.270  116.758   26.542  166.134   16.430 -49.37661 31.21576 
1 1 1   -6  -10   20 o   95.352   14.260  117.381   32.912  134.206   55.532  108.271   40.863  100.199   22.717   90.561   18.689 9.637817 29.41685 
1 1 1   -6  -10   21 o  257.886   15.575  846.611   99.832  779.520  145.550  906.216  137.188  244.130   24.193  264.850   20.913 -20.72021 31.97928 
1 1 1   -6  -10   22 o  176.543   18.272  402.145   79.387   0.0000   0.0000  402.145   79.387  ?   ?   176.543   18.272 0.000000 18.27165 
1 1 1   -6  -10   23 o  124.459   24.021  207.596   71.953  207.596   71.953   0.0000   0.0000  124.459   24.021  ?   ?  0.000000 24.02106 
1 1 1   -6  -10   24 o  146.411   13.485  273.542   48.750  340.283   81.840  236.837   60.692  161.256   20.809  134.824   18.516 26.43172 27.85401 
1 1 1   -6  -10   25 o  406.954   20.565  2142.49  208.307  2127.23  300.327  2156.65  289.172  397.350   30.500  401.464   29.040 -4.114166 42.11370 
1 1 1   -6  -10   26 o  306.220   26.080  1245.67  197.531  1245.67  197.531   0.0000   0.0000  306.220   26.080  ?   ?  0.000000 26.08002 
1 1 1   -6  -10   27 o  198.718   14.682  505.322   72.344  529.571  116.785  490.222   92.154  199.611   23.904  194.026   19.275 5.584869 30.70736 
1 1 1   -6  -10   28 o  274.490   16.645  970.429  113.553  950.237  172.690  985.810  150.719  265.615   26.385  273.419   22.268 -7.804169 34.52541 
1 1 1   -6  -10   29 o  113.362   15.837  168.045   43.608  162.608   88.859  169.770   50.049  106.595   31.316  113.120   18.346 -6.524750 36.29391 
1 1 1   -6  -10   30 o  214.150   19.909  608.787  105.249   0.0000   0.0000  608.787  105.249  ?   ?   214.150   19.909 0.000000 19.90908 
1 1 1   -6  -10   31 o  245.928   17.022  795.591  103.894  676.951  162.608  877.431  135.054  214.527   31.273  254.616   21.440 -40.08885 37.91705 
1 1 1   -6  -10   32 o   46.154   16.450   24.966   23.907   69.576   80.319   20.630   25.042   75.702   29.492   44.435   16.673 31.26659 33.87918 
1 1 1   -6  -10   33 o  112.348   16.955  171.736   46.087   61.459   97.854  203.169   52.244   75.404   31.390  121.949   17.670 -46.54549 36.02233 
1 1 1   -6  -10   34 o   95.227   17.100  125.662   39.170  150.175  102.889  121.507   42.360   93.507   34.023   92.606   18.956 0.9007568 38.94687 
1 1 1   -6  -10   35 o  117.290   16.468  189.729   46.905  195.502  113.832  188.549   51.479  101.186   35.913  115.582   18.456 -14.39596 40.37810 
1 1 1   -6  -10   36 o   67.394   18.259   65.967   31.491   88.172  107.066   63.864   32.949   76.622   32.423   66.107   18.969 10.51505 37.56451 
1 1 1   -6  -10   37 o   63.287   18.870   59.321   32.070   0.0000   0.0000   59.321   32.070  ?   ?    63.287   18.870 0.000000 18.86957 
1 1 1   -6  -10   38 f   54.539   18.222   43.272   29.146   0.0000   0.0000   43.272   29.146  ?   ?    54.539   18.222 0.000000 18.22225 
1 1 1   -6   -9    1 o  382.479   18.599  1841.55  177.642  1784.10  251.320  1898.90  251.127  373.835   27.105  386.002   26.208 -12.16672 37.70366 
1 1 1   -6   -9    2 o  406.514   19.467  2080.16  197.617  2059.10  279.688  2101.16  279.257  401.780   28.052  405.986   27.710 -4.205719 39.43100 
1 1 1   -6   -9    3 o  330.939   16.865  1378.46  138.914  1346.54  196.710  1410.21  196.198  325.662   24.365  333.458   23.716 -7.795471 34.00165 
1 1 1   -6   -9    4 o  559.531   36.545  4015.81  507.823   0.0000   0.0000  4015.81  507.823  ?   ?   559.531   36.545 0.000000 36.54517 
1 1 1   -6   -9    5 o  530.148   24.171  3542.57  319.995  3444.96  452.679  3640.06  452.403  518.970   35.137  533.889   34.111 -14.91827 48.97125 
1 1 1   -6   -9    6 o  214.177   13.274  576.487   70.647  587.017  100.656  566.265   99.181  215.426   18.902  211.542   18.977 3.883926 26.78431 
1 1 1   -6   -9    7 o  743.479   32.538  7009.57  604.093  7387.67  855.405  6633.38  853.233  756.499   45.492  715.351   48.042 41.14801 66.16355 
1 1 1   -6   -9    8 o  448.526   20.986  2527.95  235.056  2575.93  332.998  2480.30  331.844  450.369   29.777  441.772   30.263 8.596649 42.45593 
1 1 1   -6   -9    9 o  651.706   41.944  5460.15  678.987  5460.15  678.987   0.0000   0.0000  651.706   41.944  ?   ?  0.000000 41.94418 
1 1 1   -6   -9   10 o  639.339   28.546  5166.37  455.754  5125.53  645.078  5207.08  643.991  631.466   41.133  636.672   40.719 -5.206360 57.87852 
1 1 1   -6   -9   11 o  236.828   13.546  704.623   79.780  857.474  114.749  561.609  110.996  260.815   17.724  210.249   21.441 50.56625 27.81786 
1 1 1   -6   -9   12 o  291.116   15.554  1065.56  112.664  1122.29  160.961  1011.08  157.749  297.814   21.795  282.454   22.553 15.35992 31.36322 
1 1 1   -6   -9   13 o  267.213   14.944  898.124   99.316  927.588  142.376  870.198  138.608  270.578   21.242  261.999   21.372 8.579315 30.13267 
1 1 1   -6   -9   14 o  369.004   26.165  1734.33  239.540   0.0000   0.0000  1734.33  239.540  ?   ?   369.004   26.165 0.000000 26.16505 
1 1 1   -6   -9   15 o  261.302   14.742  860.041   95.803  912.886  137.972  810.842  133.128  268.111   20.770  252.473   21.315 15.63722 29.76076 
1 1 1   -6   -9   16 o  428.780   20.406  2324.98  218.501  2387.43  310.892  2264.03  307.156  430.807   29.069  419.284   29.524 11.52301 41.43274 
1 1 1   -6   -9   17 o  346.651   17.844  1521.62  153.946  1486.93  219.839  1554.99  215.645  339.989   26.092  348.147   24.970 -8.158051 36.11542 
1 1 1   -6   -9   18 o  183.330   13.301  425.001   60.477  453.499   88.834  400.385   82.563  188.175   19.172  176.739   19.006 11.43671 26.99627 
1 1 1   -6   -9   19 o  156.336   13.141  309.899   50.827  308.581   76.390  310.946   68.084  154.393   20.306  155.616   17.843 -1.222748 27.03141 
1 1 1   -6   -9   20 o  283.656   15.927  1021.95  112.358  1008.85  162.405  1033.98  155.608  279.062   23.524  283.099   22.189 -4.036163 32.33792 
1 1 1   -6   -9   21 o  118.521   13.686  179.670   39.761  190.504   65.076  173.217   50.226  119.868   22.568  115.351   18.026 4.517845 28.88391 
1 1 1   -6   -9   22 o  201.433   14.265  515.792   71.293  483.104  106.856  542.017   95.710  192.313   22.687  205.173   18.893 -12.85986 29.52357 
1 1 1   -6   -9   23 o   77.941   18.878   80.721   36.353   0.0000   0.0000   80.721   36.353  ?   ?    77.941   18.878 0.000000 18.87787 
1 1 1   -6   -9   24 f  230.823   15.067  678.794   86.371  623.580  128.337  724.507  116.774  217.881   23.985  236.768   19.936 -18.88699 31.18818 
1 1 1   -6   -9   25 o  409.213   20.063  2153.71  205.022  2241.07  295.760  2072.89  284.460  410.076   29.070  394.304   29.095 15.77209 41.12892 
1 1 1   -6   -9   26 o  263.334   15.429  884.868  101.017  957.568  152.477  827.998  134.858  270.631   22.774  252.097   21.631 18.53374 31.40952 
1 1 1   -6   -9   27 o  271.184   25.070  973.303  167.855  973.303  167.855   0.0000   0.0000  271.184   25.070  ?   ?  0.000000 25.07050 
1 1 1   -6   -9   28 o  128.263   14.897  212.165   46.825  198.865   87.892  217.435   55.331  119.331   29.631  129.072   17.628 -9.740326 34.47753 
1 1 1   -6   -9   29 o  181.928   15.236  425.743   68.579  351.130  112.802  469.491   86.376  158.840   29.525  189.851   18.452 -31.01056 34.81703 
1 1 1   -6   -9   30 o  174.899   14.965  394.712   64.732  382.062  111.902  401.073   79.358  165.682   28.047  174.874   18.451 -9.192123 33.57214 
1 1 1   -6   -9   31 o  263.222   22.157  931.025  144.287   0.0000   0.0000  931.025  144.287  ?   ?   263.222   22.157 0.000000 22.15709 
1 1 1   -6   -9   32 f   77.437   18.094   82.009   34.360 -30.5562   83.747  104.793   37.677   57.785   26.325   87.844   17.786 -30.05843 31.77039 
1 1 1   -6   -9   33 o   43.048   16.196   19.116   23.660 -45.2550   81.982   24.964   24.712   54.314   25.213   46.420   16.705 7.893871 30.24477 
1 1 1   -6   -9   34 o   85.547   16.998  100.825   35.033  172.275   96.353   89.941   37.607  102.004   33.088   79.831   19.117 22.17321 38.21388 
1 1 1   -6   -9   35 o  106.941   35.832  208.164  112.699  208.164  112.699   0.0000   0.0000  106.941   35.832  ?   ?  0.000000 35.83167 
1 1 1   -6   -9   36 o   22.285   10.561 -17.6539   15.724  -9.4941   99.888 -17.8612   15.923   61.775   28.370   22.424   10.627 39.35060 30.29560 
1 1 1   -6   -9   37 o   46.693   17.002   26.919   25.700   12.975  113.314   27.675   26.388   66.111   30.308   47.265   17.225 18.84552 34.86112 
1 1 1   -6   -9   38 o   62.403   18.912   57.647   32.021   0.0000   0.0000   57.647   32.021  ?   ?    62.403   18.912 0.000000 18.91160 
1 1 1   -6   -9   39 o   36.894   15.381   8.6309   23.541   0.0000   0.0000   8.6309   23.541  ?   ?    36.894   15.381 0.000000 15.38088 
1 1 1   -6   -8    1 o  571.749   25.934  4158.20  370.273  4251.86  523.935  4064.76  523.355  571.740   36.894  558.447   37.750 13.29254 52.78484 
1 1 1   -6   -8    2 o  262.380   14.598  866.937   95.267  852.190  134.886  881.614  134.569  258.949   21.041  263.502   20.615 -4.552673 29.45712 
1 1 1   -6   -8    3 o  175.880   12.274  389.451   53.571  374.387   76.009  404.320   75.515  171.598   18.006  178.538   17.148 -6.940567 24.86565 
1 1 1   -6   -8    4 o  523.712   23.958  3464.92  313.318  3418.54  443.250  3511.24  442.948  515.872   34.608  523.060   34.098 -7.188354 48.58421 
1 1 1   -6   -8    5 o  575.039   37.477  4250.25  535.220   0.0000   0.0000  4250.25  535.220  ?   ?   575.039   37.477 0.000000 37.47696 
1 1 1   -6   -8    6 o   60.743   13.233   47.998   19.505   42.965   28.570   52.393   26.693   58.480   17.894   63.484   16.637 -5.003998 24.43291 
1 1 1   -6   -8    7 o  565.283   25.555  4029.71  360.733  3952.65  510.330  4106.67  509.978  555.700   36.987  566.749   36.223 -11.04926 51.77018 
1 1 1   -6   -8    8 o  302.878   15.907  1152.76  119.889  1189.97  170.124  1116.06  168.978  306.799   22.359  296.964   22.965 9.834717 32.05206 
1 1 1   -6   -8    9 o  576.094   25.851  4183.64  371.900  4333.27  526.759  4034.93  525.136  582.527   36.394  561.594   37.664 20.93335 52.37410 
1 1 1   -6   -8   10 o  676.057   43.400  5883.49  728.826  5883.49  728.826   0.0000   0.0000  676.057   43.400  ?   ?  0.000000 43.40015 
1 1 1   -6   -8   11 o  494.781   22.677  3079.96  280.188  3209.75  397.188  2951.39  395.310  502.300   31.830  481.212   33.098 21.08780 45.91946 
1 1 1   -6   -8   12 o  496.622   22.925  3104.77  284.310  3094.34  402.860  3115.12  401.294  492.611   32.939  494.346   32.692 -1.734589 46.40828 
1 1 1   -6   -8   13 o  189.972   12.868  453.933   60.684  507.895   88.372  405.783   83.478  200.363   17.849  178.739   18.994 21.62408 26.06430 
1 1 1   -6   -8   14 o  174.927   12.433  385.108   53.958  479.675   79.501  304.339   73.472  194.811   16.497  154.368   19.494 40.44348 25.53785 
1 1 1   -6   -8   15 o  421.578   28.939  2270.38  302.809   0.0000   0.0000  2270.38  302.809  ?   ?   421.578   28.939 0.000000 28.93863 
1 1 1   -6   -8   16 o  525.720   24.334  3504.21  319.457  3405.37  453.000  3602.00  450.572  512.717   35.602  528.019   34.359 -15.30194 49.47716 
1 1 1   -6   -8   17 o  633.338   28.626  5134.92  452.744  5202.40  641.814  5068.08  638.750  628.164   41.143  619.671   41.518 8.493103 58.45060 
1 1 1   -6   -8   18 o  344.799   17.814  1505.45  152.860  1462.93  218.275  1546.38  214.137  337.185   26.127  347.199   24.863 -10.01385 36.06621 
1 1 1   -6   -8   19 o  404.275   19.719  2074.87  199.073  2095.21  283.834  2055.18  279.284  401.780   28.474  398.007   28.284 3.772858 40.13415 
1 1 1   -6   -8   20 o  327.267   25.197  1386.83  204.338  1386.83  204.338   0.0000   0.0000  327.267   25.197  ?   ?  0.000000 25.19698 
1 1 1   -6   -8   21 o  304.101   23.347  1196.07  175.940   0.0000   0.0000  1196.07  175.940  ?   ?   304.101   23.347 0.000000 23.34660 
1 1 1   -6   -8   22 o  246.391   22.317  786.569  135.821  786.569  135.821   0.0000   0.0000  246.391   22.317  ?   ?  0.000000 22.31664 
1 1 1   -6   -8   23 o  261.856   15.256  871.762   99.325  901.625  145.751  845.867  135.720  263.668   22.346  255.704   21.453 7.964325 30.97727 
1 1 1   -6   -8   24 o  154.667   17.906  308.943   67.881   0.0000   0.0000  308.943   67.881  ?   ?   154.667   17.906 0.000000 17.90625 
1 1 1   -6   -8   25 o  305.781   16.200  1192.17  123.263  1311.55  181.660  1090.30  167.803  317.460   23.073  289.120   23.444 28.34009 32.89316 
1 1 1   -6   -8   26 f  272.453   16.115  947.621  109.150  932.182  162.686  960.261  147.198  266.320   24.745  271.799   21.872 -5.478943 33.02607 
1 1 1   -6   -8   27 o  371.102   18.700  1770.25  172.737  1872.55  251.455  1678.84  237.700  376.000   26.960  355.951   26.941 20.04947 38.11365 
1 1 1   -6   -8   28 o  127.681   26.929  222.763   83.158  222.763   83.158   0.0000   0.0000  127.681   26.929  ?   ?  0.000000 26.92876 
1 1 1   -6   -8   29 o  176.742   14.928  400.538   65.270  362.205  108.815  422.081   81.574  162.929   27.739  180.279   18.377 -17.34999 33.27380 
1 1 1   -6   -8   30 o  248.825   15.320  794.448   94.728  885.049  148.718  732.593  122.882  258.253   23.312  236.096   21.064 22.15681 31.41842 
1 1 1   -6   -8   31 o   74.635   17.771   74.962   32.646   97.029   84.385   71.078   35.403   86.685   30.905   72.538   19.232 14.14653 36.40004 
1 1 1   -6   -8   32 o  106.718   18.174  152.616   46.696   0.0000   0.0000  152.616   46.696  ?   ?   106.718   18.174 0.000000 18.17352 
1 1 1   -6   -8   33 f  137.616   15.895  249.893   53.620  172.372  103.835  278.081   62.614  105.565   34.355  144.342   17.745 -38.77773 38.66665 
1 1 1   -6   -8   34 o  140.938   15.988  264.445   55.275  193.664  108.450  289.285   64.246  108.669   35.089  146.337   17.958 -37.66773 39.41710 
1 1 1   -6   -8   35 o  122.837   16.301  203.952   48.767  168.221  107.276  213.260   54.751   99.663   34.910  124.572   18.132 -24.90903 39.33803 
1 1 1   -6   -8   36 o   58.539   27.034 -25.9941   92.488 -25.9941   92.488   0.0000   0.0000   58.539   27.034  ?   ?  0.000000 27.03410 
1 1 1   -6   -8   37 o   49.595   17.278   31.812   26.262  135.732  109.067   25.416   27.058   87.912   34.335   46.689   17.368 41.22301 38.47757 
1 1 1   -6   -8   38 o   63.379   18.344   58.258   30.695   83.534  120.397   56.501   31.744   76.622   33.418   62.388   18.812 14.23396 38.34925 
1 1 1   -6   -8   39 o   32.779   14.178   0.8648   21.306   0.0000   0.0000   0.8648   21.306  ?   ?    32.779   14.178 0.000000 14.17788 
1 1 1   -6   -8   40 o   38.851   15.877   12.446   24.420   0.0000   0.0000   12.446   24.420  ?   ?    38.851   15.877 0.000000 15.87656 
1 1 1   -6   -7    1 o  211.352   13.073  562.773   68.659  549.420   97.162  576.092   97.036  207.801   18.932  212.924   18.432 -5.123184 26.42211 
1 1 1   -6   -7    2 o  327.551   16.732  1354.09  136.402  1364.73  193.115  1343.49  192.690  327.066   23.808  324.457   23.951 2.609009 33.77113 
1 1 1   -6   -7    3 o  329.328   16.811  1368.08  137.794  1349.08  194.956  1387.04  194.783  325.273   24.174  329.946   23.800 -4.673035 33.92423 
1 1 1   -6   -7    4 o  584.798   26.438  4342.93  386.085  4205.36  545.925  4480.59  546.089  568.892   38.658  588.024   37.383 -19.13226 53.77680 
1 1 1   -6   -7    5 o  652.426   29.164  5410.92  475.149  5430.71  672.201  5391.16  671.724  646.357   41.871  643.907   42.005 2.449158 59.30973 
1 1 1   -6   -7    6 o  451.739   30.415  2602.42  341.109   0.0000   0.0000  2602.42  341.109  ?   ?   451.739   30.415 0.000000 30.41524 
1 1 1   -6   -7    7 o  521.425   23.814  3426.51  310.082  3249.12  438.481  3603.97  438.563  503.884   35.066  531.456   33.212 -27.57111 48.29760 
1 1 1   -6   -7    8 o  470.960   21.879  2789.61  257.311  2634.18  363.922  2944.99  363.862  454.638   32.264  481.357   30.427 -26.71927 44.34847 
1 1 1   -6   -7    9 o  455.467   21.317  2607.21  242.456  2503.48  343.006  2710.78  342.763  443.632   31.160  462.055   29.866 -18.42258 43.16142 
1 1 1   -6   -7   10 o  366.375   18.051  1683.73  165.149  1685.99  234.099  1681.48  233.017  364.853   25.862  364.380   25.775 0.4734192 36.51240 
1 1 1   -6   -7   11 o  358.547   25.617  1628.10  227.856  1628.10  227.856   0.0000   0.0000  358.547   25.617  ?   ?  0.000000 25.61721 
1 1 1   -6   -7   12 o  311.441   16.100  1218.89  124.789  1321.42  177.773  1119.29  175.212  323.419   22.145  297.246   23.804 26.17316 32.51212 
1 1 1   -6   -7   13 o  235.123   13.974  694.772   81.680  759.341  117.124  633.638  113.966  245.157   19.287  223.604   20.643 21.55327 28.25136 
1 1 1   -6   -7   14 o  298.177   16.064  1118.16  119.168  1089.67  169.978  1145.69  167.117  293.152   23.415  300.831   22.406 -7.677979 32.40825 
1 1 1   -6   -7   15 o  580.620   26.340  4265.13  381.911  4195.25  541.059  4334.52  539.152  570.573   38.194  580.373   37.400 -9.799988 53.45619 
1 1 1   -6   -7   16 o  491.945   32.885  3107.67  401.662   0.0000   0.0000  3107.67  401.662  ?   ?   491.945   32.885 0.000000 32.88535 
1 1 1   -6   -7   17 o  404.031   19.171  2057.99  193.429  2223.61  275.850  1897.78  271.306  417.326   26.608  384.796   28.436 32.53055 38.94348 
1 1 1   -6   -7   18 f  610.023   27.667  4757.60  421.460  4823.34  597.701  4692.60  594.383  605.644   39.740  597.077   40.097 8.566833 56.45413 
1 1 1   -6   -7   19 o  149.446   13.065  282.728   48.268  289.857   72.970  277.182   64.362  149.998   19.978  147.080   17.892 2.917709 26.81855 
1 1 1   -6   -7   20 o  431.406   20.776  2367.55  223.817  2383.31  318.935  2352.25  314.168  427.618   30.058  424.966   29.793 2.651428 42.32159 
1 1 1   -6   -7   21 o  271.819   22.895  952.906  153.960  952.906  153.960   0.0000   0.0000  271.819   22.895  ?   ?  0.000000 22.89492 
1 1 1   -6   -7   22 o  315.487   16.752  1265.58  131.506  1311.90  190.040  1223.03  182.166  318.210   24.094  307.262   23.930 10.94788 33.95860 
1 1 1   -6   -7   23 o  174.932   13.778  388.745   59.701  354.987   91.198  414.059   78.974  164.658   22.791  179.561   17.849 -14.90269 28.94820 
1 1 1   -6   -7   24 o  205.040   13.811  533.606   70.303  577.440  107.085  500.401   93.201  211.315   20.553  197.033   19.186 14.28192 28.11619 
1 1 1   -6   -7   25 o  245.538   20.686  779.216  125.654   0.0000   0.0000  779.216  125.654  ?   ?   245.538   20.686 0.000000 20.68577 
1 1 1   -6   -7   26 o  288.658   16.061  1062.05  115.314  1110.49  169.927  1020.71  156.998  291.850   23.515  280.171   22.633 11.67896 32.63779 
1 1 1   -6   -7   27 o  202.292   13.634  520.086   68.469  634.613  108.308  443.848   88.367  221.515   19.788  185.100   19.406 36.41502 27.71589 
1 1 1   -6   -7   28 o  197.660   13.887  497.367   68.110  598.421  109.945  434.434   86.763  214.486   20.788  183.012   19.275 31.47374 28.34866 
1 1 1   -6   -7   29 o  149.820   26.332  303.426   94.919  303.426   94.919   0.0000   0.0000  149.820   26.332  ?   ?  0.000000 26.33172 
1 1 1   -6   -7   30 o   64.182   18.559   54.266   31.432 -30.2507   74.288   72.695   34.690   55.804   25.171   73.735   18.787 -17.93144 31.40876 
1 1 1   -6   -7   31 o  219.379   15.271  618.329   83.135  642.546  135.110  603.574  105.463  218.533   25.221  214.652   19.901 3.881775 32.12756 
1 1 1   -6   -7   32 o  247.808   15.294  791.958   94.178  929.234  151.322  705.167  120.322  263.195   23.263  230.468   21.142 32.72737 31.43515 
1 1 1   -6   -7   33 o  133.375   16.154  233.826   52.705  154.698  108.479  258.276   60.300  102.411   35.148  139.594   17.695 -37.18259 39.35125 
1 1 1   -6   -7   34 o  120.997   16.163  194.427   47.614  150.488  103.955  206.092   53.563   99.383   34.390  123.857   17.832 -24.47340 38.73862 
1 1 1   -6   -7   35 o   48.292   16.927   28.406   25.223   53.933   89.760   26.218   26.282   73.321   30.255   47.540   17.211 25.78120 34.80814 
1 1 1   -6   -7   36 o   82.682   17.919   95.452   35.930   48.145  100.285  102.419   38.485   72.868   31.126   85.415   18.572 -12.54688 36.24543 
1 1 1   -6   -7   37 o   78.667   33.094   80.124  110.490   80.124  110.490   0.0000   0.0000   78.667   33.094  ?   ?  0.000000 33.09370 
1 1 1   -6   -7   38 o   98.440   17.226  135.687   40.802  245.870  123.012  122.066   43.251  111.454   37.435   91.934   19.447 19.52029 42.18462 
1 1 1   -6   -7   39 o   44.003   16.730   21.643   25.405   10.860  123.682   22.118   25.958   67.242   31.127   44.430   16.906 22.81180 35.42175 
1 1 1   -6   -7   40 o   61.413   18.947   55.975   31.958   0.0000   0.0000   55.975   31.958  ?   ?    61.413   18.947 0.000000 18.94720 
1 1 1   -6   -6    1 o  406.291   28.160  2121.50  283.944  2121.50  283.944   0.0000   0.0000  406.291   28.160  ?   ?  0.000000 28.16001 
1 1 1   -6   -6    2 o  152.066   11.675  291.636   43.996  295.724   62.367  287.586   62.074  152.357   16.664  150.189   16.841 2.167969 23.69203 
1 1 1   -6   -6    3 o  617.244   27.880  4868.05  429.742  4905.85  607.935  4830.30  607.559  611.154   40.056  606.180   40.367 4.974304 56.86795 
1 1 1   -6   -6    4 o  752.998   33.625  7305.01  632.278  7410.00  894.477  7200.16  893.877  744.982   48.342  733.598   49.077 11.38440 68.88797 
1 1 1   -6   -6    5 o  301.720   15.889  1146.95  119.293  1134.81  168.873  1159.05  168.537  298.698   22.813  301.961   22.513 -3.263184 32.05051 
1 1 1   -6   -6    6 o  379.066   18.476  1807.33  174.894  1743.96  247.361  1870.67  247.314  369.904   26.965  383.444   25.982 -13.54068 37.44504 
1 1 1   -6   -6    7 o  550.755   36.067  3893.10  493.309   0.0000   0.0000  3893.10  493.309  ?   ?   550.755   36.067 0.000000 36.06746 
1 1 1   -6   -6    8 f  631.452   28.216  5043.38  444.919  5024.67  629.466  5062.07  628.957  624.806   40.563  627.225   40.370 -2.418335 57.22865 
1 1 1   -6   -6    9 o  304.588   16.043  1166.03  121.598  1136.43  172.311  1195.39  171.622  299.603   23.212  307.445   22.510 -7.841888 32.33466 
1 1 1   -6   -6   10 o  833.378   36.498  8835.79  759.569  8983.89  1074.81  8688.02  1073.57  830.959   52.059  816.559   52.935 14.40021 74.24466 
1 1 1   -6   -6   11 o  1253.56   55.131 20450.77  1725.79 20474.02  2441.06 20427.53  2440.21  1224.86   80.251  1223.37   80.323 1.488403 113.5426 
1 1 1   -6   -6   12 o  922.509   58.995 11181.97  1351.94 11181.97  1351.94   0.0000   0.0000  922.509   58.995  ?   ?  0.000000 58.99511 
1 1 1   -6   -6   13 o  556.422   25.123  3901.09  349.086  4025.39  494.537  3777.65  492.830  561.650   35.442  543.662   36.513 17.98822 50.88520 
1 1 1   -6   -6   14 o  239.599   14.382  721.642   85.655  687.596  122.336  754.381  119.967  232.908   21.268  244.269   19.839 -11.36128 29.08464 
1 1 1   -6   -6   15 o  735.530   32.529  6876.30  597.469  6945.23  846.079  6807.73  843.822  731.150   46.582  723.628   46.950 7.522034 66.13794 
1 1 1   -6   -6   16 o  322.386   16.661  1308.10  133.669  1366.77  190.969  1251.75  187.161  328.301   23.448  313.982   24.053 14.31812 33.59122 
1 1 1   -6   -6   17 o  401.759   27.907  2060.46  278.247   0.0000   0.0000  2060.46  278.247  ?   ?   401.759   27.907 0.000000 27.90720 
1 1 1   -6   -6   18 o  282.432   15.721  1005.67  110.438  992.992  158.864  1017.52  153.633  279.116   22.997  282.824   21.924 -3.708160 31.77329 
1 1 1   -6   -6   19 o  595.542   27.188  4533.16  404.336  4515.67  573.474  4550.46  570.174  585.854   39.428  588.418   39.025 -2.563843 55.47552 
1 1 1   -6   -6   20 o  234.755   20.186  703.644  117.183   0.0000   0.0000  703.644  117.183  ?   ?   234.755   20.186 0.000000 20.18568 
1 1 1   -6   -6   21 o  311.728   24.444  1252.55  188.755  1252.55  188.755   0.0000   0.0000  311.728   24.444  ?   ?  0.000000 24.44371 
1 1 1   -6   -6   22 o  254.463   22.363  834.844  140.660  834.844  140.660   0.0000   0.0000  254.463   22.363  ?   ?  0.000000 22.36267 
1 1 1   -6   -6   23 o  522.911   24.252  3526.35  316.679  3678.25  450.845  3378.42  444.916  524.566   34.612  501.552   35.757 23.01401 49.76507 
1 1 1   -6   -6   24 o  301.751   16.044  1157.47  120.462  1252.34  175.431  1072.83  165.702  311.181   22.733  287.663   23.266 23.51837 32.52874 
1 1 1   -6   -6   25 o  296.814   16.337  1121.70  120.621  1139.23  175.693  1106.08  165.895  295.875   23.985  292.020   22.934 3.855225 33.18538 
1 1 1   -6   -6   26 o  113.078   17.688  166.581   48.311   0.0000   0.0000  166.581   48.311  ?   ?   113.078   17.688 0.000000 17.68829 
1 1 1   -6   -6   27 o  252.023   15.273  808.521   95.667  829.636  143.624  791.682  128.262  252.284   23.052  247.302   20.967 4.981461 31.16090 
1 1 1   -6   -6   28 o  119.120   14.627  182.459   42.597  162.554   74.894  191.977   51.790  109.115   27.497  121.484   17.583 -12.36839 32.63784 
1 1 1   -6   -6   29 o  290.487   16.634  1079.16  120.158  1089.32  179.598  1070.93  161.671  287.487   25.274  286.434   22.791 1.052917 34.03210 
1 1 1   -6   -6   30 o   76.094   17.830   77.056   33.288   49.738   76.132   83.513   37.013   73.569   28.699   79.086   18.983 -5.516586 34.40893 
1 1 1   -6   -6   31 o  494.674   23.649  3213.49  292.132  3375.04  422.108  3064.99  404.715  492.613   34.532  468.989   34.805 23.62469 49.02919 
1 1 1   -6   -6   32 o  117.490   15.626  179.725   44.709  197.911   94.125  174.427   50.807  117.634   31.440  114.859   18.330 2.774559 36.39277 
1 1 1   -6   -6   33 o  177.012   15.219  405.717   66.620  416.090  119.550  401.045   80.233  171.824   28.887  174.420   18.713 -2.596100 34.41881 
1 1 1   -6   -6   34 f  155.320   15.548  315.450   59.496  275.133  112.981  330.921   69.986  134.480   33.708  157.904   18.074 -23.42381 38.24832 
1 1 1   -6   -6   35 o  160.583   16.387  341.476   64.792  231.428  123.692  383.089   76.062  118.535   37.390  169.008   18.315 -50.47237 41.63486 
1 1 1   -6   -6   36 o  145.510   15.244  280.985   54.568  404.717  119.319  248.264   61.360  162.145   30.590  134.698   18.751 27.44647 35.87938 
1 1 1   -6   -6   37 o  129.421   16.349  226.727   51.659  195.072  117.890  234.250   57.470  104.729   36.601  130.462   18.130 -25.73266 40.84563 
1 1 1   -6   -6   38 o   67.574   30.581   9.4806  110.705   9.4806  110.705   0.0000   0.0000   67.574   30.581  ?   ?  0.000000 30.58056 
1 1 1   -6   -6   39 o   43.006   16.705   18.620   25.710 -20.2127  122.902   20.397   26.292   65.135   30.447   44.043   16.953 21.09215 34.84829 
1 1 1   -6   -6   40 o  106.402   17.847  161.603   45.742  147.776  140.587  163.240   48.374   86.196   36.837  106.138   18.946 -19.94144 41.42353 
1 1 1   -6   -6   41 o   44.718   17.100   23.226   26.637   0.0000   0.0000   23.226   26.637  ?   ?    44.718   17.100 0.000000 17.09953 
1 1 1   -6   -5    1 o  213.818   13.040  575.863   69.294  471.619   97.935  680.367   98.057  192.032   20.753  231.806   17.059 -39.77379 26.86453 
1 1 1   -6   -5    2 o  206.790   12.748  538.616   65.508  598.774   93.038  479.469   92.253  217.318   17.287  193.921   19.307 23.39777 25.91527 
1 1 1   -6   -5    3 o  377.672   18.438  1799.79  173.891  1773.15  245.911  1826.43  245.926  371.863   26.658  377.587   26.245 -5.723328 37.40940 
1 1 1   -6   -5    4 o  664.988   29.891  5670.55  496.371  5754.33  702.214  5586.89  701.735  659.633   42.863  649.369   43.526 10.26410 61.08800 
1 1 1   -6   -5    5 f  329.498   16.806  1369.88  137.824  1401.11  195.109  1338.77  194.717  331.549   23.722  323.903   24.249 7.646301 33.92319 
1 1 1   -6   -5    6 o  143.537   11.705  259.825   41.588  255.316   59.187  264.223   58.450  141.476   17.100  144.051   16.549 -2.575485 23.79669 
1 1 1   -6   -5    7 o  416.632   19.856  2185.55  206.587  2180.55  292.385  2190.54  291.931  413.406   28.496  414.392   28.382 -0.9853516 40.21904 
1 1 1   -6   -5    8 o  380.015   26.559  1834.58  250.448   0.0000   0.0000  1834.58  250.448  ?   ?   380.015   26.559 0.000000 26.55866 
1 1 1   -6   -5    9 o  217.823   13.424  596.356   72.661  580.792  103.085  611.724  102.433  214.159   19.489  219.930   18.833 -5.770660 27.10155 
1 1 1   -6   -5   10 o  922.376   40.378 10876.62  930.041 10756.75  1315.34 10996.46  1315.21  904.106   58.575  914.709   57.877 -10.60242 82.34537 
1 1 1   -6   -5   11 f  767.417   33.715  7470.02  646.116  7599.85  914.401  7340.56  913.093  766.580   48.009  752.898   48.829 13.68237 68.47733 
1 1 1   -6   -5   12 o  1018.68   44.513 13308.49  1132.34 13313.24  1601.78 13303.74  1600.96  1002.87   64.299  1002.52   64.289 0.3504028 90.92507 
1 1 1   -6   -5   13 o  807.587   51.521  8473.21  1033.60  8473.21  1033.60   0.0000   0.0000  807.587   51.521  ?   ?  0.000000 51.52113 
1 1 1   -6   -5   14 o  321.230   16.745  1297.10  133.860  1243.56  189.856  1350.02  188.762  313.310   24.460  326.735   23.287 -13.42532 33.77264 
1 1 1   -6   -5   15 o  535.407   24.338  3612.09  325.401  3719.38  461.268  3505.80  459.113  539.826   34.397  523.729   35.311 16.09711 49.29474 
1 1 1   -6   -5   16 o  484.059   22.126  2950.30  267.454  3157.26  380.012  2747.15  376.488  497.925   30.712  463.713   32.723 34.21222 44.87756 
1 1 1   -6   -5   17 o  389.830   19.004  1911.11  184.995  1933.79  263.265  1888.99  260.012  389.769   27.219  385.211   27.205 4.558228 38.48327 
1 1 1   -6   -5   18 o  377.905   26.683  1821.56  250.193   0.0000   0.0000  1821.56  250.193  ?   ?   377.905   26.683 0.000000 26.68347 
1 1 1   -6   -5   19 o  494.460   23.014  3097.77  284.164  3123.84  404.138  3072.28  399.638  491.722   33.105  487.674   33.010 4.047394 46.75082 
1 1 1   -6   -5   20 o  110.399   22.708  160.238   60.514  160.238   60.514   0.0000   0.0000  110.399   22.708  ?   ?  0.000000 22.70824 
1 1 1   -6   -5   21 f  526.568   24.082  3540.93  316.663  3738.73  450.584  3347.90  445.125  534.307   33.946  504.359   35.570 29.94785 49.16889 
1 1 1   -6   -5   22 o  159.189   13.174  321.043   51.898  314.950   78.863  325.697   68.925  156.007   20.758  159.457   17.603 -3.449829 27.21722 
1 1 1   -6   -5   23 o  455.785   32.206  2743.60  364.203  2743.60  364.203   0.0000   0.0000  455.785   32.206  ?   ?  0.000000 32.20602 
1 1 1   -6   -5   24 o  129.973   13.132  215.064   42.036  231.595   67.078  204.373   53.943  133.099   20.868  125.680   17.676 7.419083 27.34789 
1 1 1   -6   -5   25 o  312.693   16.577  1244.11  128.979  1316.71  187.395  1178.76  177.791  318.651   23.720  301.362   23.819 17.28851 33.61525 
1 1 1   -6   -5   26 o  208.023   13.781  549.043   71.182  613.715  108.246  499.771   94.484  218.107   20.100  196.850   19.476 21.25719 27.98849 
1 1 1   -6   -5   27 o  238.148   14.975  721.177   88.605  730.535  133.542  713.818  118.428  236.903   22.857  235.135   20.370 1.767426 30.61693 
1 1 1   -6   -5   28 o  231.685   15.152  683.419   87.180  671.562  133.092  692.331  115.378  226.462   23.895  231.500   20.160 -5.038269 31.26326 
1 1 1   -6   -5   29 o  215.705   14.646  592.455   78.426  624.714  122.768  570.215  101.937  218.589   22.828  209.971   19.670 8.618744 30.13353 
1 1 1   -6   -5   30 o  265.611   15.573  900.078  102.842  996.169  158.134  829.648  135.383  276.012   23.157  252.449   21.686 23.56328 31.72552 
1 1 1   -6   -5   31 o  359.509   18.152  1662.01  162.432  1842.61  240.449  1510.42  220.299  373.035   25.974  337.304   26.364 35.73108 37.00948 
1 1 1   -6   -5   32 o  239.243   15.390  733.536   91.460  841.659  145.259  662.518  117.724  252.287   23.321  224.718   21.230 27.56895 31.53682 
1 1 1   -6   -5   33 o  211.933   15.523  578.862   81.581  585.900  136.161  574.921  101.894  206.985   26.985  209.229   19.735 -2.243988 33.43129 
1 1 1   -6   -5   34 o  137.341   15.442  245.908   52.042  248.557  104.368  245.032   60.038  129.818   32.320  136.039   18.124 -6.220352 37.05475 
1 1 1   -6   -5   35 o   86.198   17.355  100.441   36.064  147.995   97.530   92.908   38.816   99.714   33.334   82.260   19.239 17.45402 38.48722 
1 1 1   -6   -5   36 o  236.880   21.377  769.261  125.090   0.0000   0.0000  769.261  125.090  ?   ?   236.880   21.377 0.000000 21.37709 
1 1 1   -6   -5   37 o  130.824   16.282  229.890   52.042  203.669  116.733  236.395   58.140  108.969   36.468  131.591   18.178 -22.62187 40.74715 
1 1 1   -6   -5   38 o   44.697   16.848   21.498   25.627   18.023  109.733   21.698   26.356   69.533   31.037   45.093   17.065 24.43975 35.41855 
1 1 1   -6   -5   39 f   61.068   28.923 -58.6675  117.561 -58.6675  117.561   0.0000   0.0000   61.068   28.923  ?   ?  0.000000 28.92309 
1 1 1   -6   -5   40 o   66.297   18.847   63.636   32.677   95.196  132.966   61.607   33.711   80.647   35.148   65.180   19.326 15.46704 40.11069 
1 1 1   -6   -5   41 o   76.017   19.317   85.801   36.744   10.941  154.752   90.273   37.825   70.623   33.369   77.905   19.491 -7.282150 38.64437 
1 1 1   -6   -4    1 o  414.152   13.409  2152.56  138.676  2200.31  196.183  2104.86  196.053  417.694   18.808  408.444   19.222 9.250427 26.89293 
1 1 1   -6   -4    2 o  226.565   13.464  646.592   75.834  600.675  107.303  692.410  107.189  217.168   20.012  233.598   18.527 -16.42978 27.27116 
1 1 1   -6   -4    3 o  734.701   25.954  6878.39  476.182  6506.10  824.004  7065.06  583.473  696.811   47.640  741.058   31.530 -44.24689 57.12897 
1 1 1   -6   -4    4 o  214.716   10.660  577.662   57.159  542.788   99.082  595.057   69.976  206.413   19.452  217.364   12.951 -10.95155 23.36853 
1 1 1   -6   -4    5 o  528.035   24.225  3542.68  319.426  3594.53  451.894  3490.91  451.580  526.170   34.585  518.200   35.104 7.969421 49.27876 
1 1 1   -6   -4    6 o  333.343   16.956  1402.06  140.679  1407.51  199.084  1396.61  198.816  332.220   24.163  330.906   24.228 1.313293 34.21770 
1 1 1   -6   -4    7 o  442.076   20.827  2465.93  229.916  2474.86  325.358  2457.03  324.944  439.527   29.820  437.908   29.894 1.618561 42.22362 
1 1 1   -6   -4    8 o  433.969   20.504  2371.75  222.202  2363.99  314.418  2379.50  314.063  430.362   29.433  431.820   29.298 -1.457397 41.52946 
1 1 1   -6   -4    9 o  735.799   47.312  7048.27  864.711   0.0000   0.0000  7048.27  864.711  ?   ?   735.799   47.312 0.000000 47.31183 
1 1 1   -6   -4   10 o  262.838   14.708  868.130   96.149  851.075  136.256  885.044  135.698  259.333   21.226  264.574   20.704 -5.240997 29.65123 
1 1 1   -6   -4   11 o  491.652   22.663  3040.21  278.243  3056.05  393.838  3024.43  393.155  490.065   32.364  487.480   32.483 2.585052 45.85366 
1 1 1   -6   -4   12 o  616.486   27.588  4794.71  424.718  4744.63  600.935  4844.69  600.348  608.686   39.754  615.279   39.278 -6.592834 55.88491 
1 1 1   -6   -4   13 o  802.994   35.246  8186.17  706.761  8139.41  999.846  8232.85  999.177  792.226   50.808  796.974   50.466 -4.748840 71.61139 
1 1 1   -6   -4   14 o  613.197   39.635  4815.18  603.675  4815.18  603.675   0.0000   0.0000  613.197   39.635  ?   ?  0.000000 39.63538 
1 1 1   -6   -4   15 o  807.760   35.452  8295.25  715.109  8433.44  1012.06  8157.47  1010.57  805.640   50.562  791.795   51.388 13.84442 72.09150 
1 1 1   -6   -4   16 o  190.077   13.361  454.587   63.015  447.924   90.584  460.836   87.720  187.837   19.600  190.697   18.660 -2.860687 27.06205 
1 1 1   -6   -4   17 o  432.642   20.215  2354.03  218.401  2531.51  310.820  2180.95  306.947  446.337   28.029  413.643   29.918 32.69455 40.99609 
1 1 1   -6   -4   18 o  735.204   32.408  6896.10  594.997  7219.86  843.308  6575.18  839.609  743.288   45.655  707.709   47.789 35.57892 66.09156 
1 1 1   -6   -4   19 o  456.605   30.952  2675.60  350.839   0.0000   0.0000  2675.60  350.839  ?   ?   456.605   30.952 0.000000 30.95205 
1 1 1   -6   -4   20 o  277.399   15.624  970.634  107.791  954.458  155.062  985.760  149.945  273.481   22.917  278.253   21.753 -4.772125 31.59655 
1 1 1   -6   -4   21 o  411.543   19.989  2144.00  205.424  2141.60  292.624  2146.33  288.448  407.336   28.956  407.998   28.490 -0.6624146 40.62213 
1 1 1   -6   -4   22 o  371.462   18.415  1746.74  170.817  1800.94  244.178  1694.79  239.048  373.677   26.336  362.328   26.606 11.34982 37.43605 
1 1 1   -6   -4   23 o  314.372   16.574  1253.26  129.655  1309.20  186.949  1201.42  179.971  318.837   23.649  305.306   23.794 13.53079 33.54701 
1 1 1   -6   -4   24 o  216.717   21.185  605.443  113.181  605.443  113.181   0.0000   0.0000  216.717   21.185  ?   ?  0.000000 21.18465 
1 1 1   -6   -4   25 o  265.256   15.276  892.860  100.756  924.286  147.307  865.231  138.118  267.537   22.251  259.062   21.545 8.474335 30.97260 
1 1 1   -6   -4   26 f  359.770   18.149  1651.65  162.525  1741.93  234.686  1568.46  225.292  365.504   25.880  346.547   26.228 18.95718 36.84647 
1 1 1   -6   -4   27 o  291.349   16.214  1080.33  117.499  1107.18  171.925  1056.81  160.956  291.821   23.800  285.548   22.761 6.272919 32.93182 
1 1 1   -6   -4   28 o  297.735   16.542  1129.65  122.503  1152.71  180.305  1109.87  166.955  297.245   24.509  292.356   23.056 4.888245 33.64919 
1 1 1   -6   -4   29 o  400.514   28.813  2124.10  286.248   0.0000   0.0000  2124.10  286.248  ?   ?   400.514   28.813 0.000000 28.81277 
1 1 1   -6   -4   30 o  199.737   14.851  508.634   73.544  494.430  117.023  517.906   94.550  193.420   24.799  200.213   19.144 -6.793335 31.32903 
1 1 1   -6   -4   31 o   61.595   18.453   49.220   30.616   27.168   74.528   53.697   33.580   67.679   27.706   64.288   19.341 3.391396 33.78856 
1 1 1   -6   -4   32 o  212.046   14.819  574.552   77.978  654.307  128.742  528.339   97.999  222.667   23.509  201.520   19.727 21.14754 30.68899 
1 1 1   -6   -4   33 o  141.050   30.156  278.952  102.999  278.952  102.999   0.0000   0.0000  141.050   30.156  ?   ?  0.000000 30.15564 
1 1 1   -6   -4   34 o  293.392   17.530  1117.53  127.844  1098.64  196.374  1131.43  168.425  282.562   28.207  290.965   23.378 -8.402557 36.63558 
1 1 1   -6   -4   35 o   76.427   18.247   79.281   34.343   38.864   93.838   85.532   36.903   73.901   30.750   79.257   18.910 -5.355499 36.09915 
1 1 1   -6   -4   36 o  232.664   15.881  708.485   91.719  808.333  156.884  656.636  113.052  239.011   26.743  220.398   20.786 18.61250 33.87164 
1 1 1   -6   -4   37 o  136.799   18.282  253.430   60.892   0.0000   0.0000  253.430   60.892  ?   ?   136.799   18.282 0.000000 18.28228 
1 1 1   -6   -4   38 o   39.705   15.894   12.022   23.904 -41.7360  107.548   14.816   24.517   61.986   28.809   41.269   16.231 20.71652 33.06638 
1 1 1   -6   -4   39 o   50.724   17.660   32.681   27.434   10.659  117.759   33.945   28.211   69.985   31.618   51.545   17.911 18.43987 36.33831 
1 1 1   -6   -4   40 o  158.659   41.464  497.780  166.106  497.780  166.106   0.0000   0.0000  158.659   41.464  ?   ?  0.000000 41.46371 
1 1 1   -6   -4   41 o   62.899   30.162 -65.1862  136.310 -65.1862  136.310   0.0000   0.0000   62.899   30.162  ?   ?  0.000000 30.16215 
1 1 1   -6   -4   42 o  101.504   18.297  149.207   44.672  207.942  160.872  144.299   46.500   92.300   39.424   98.855   19.529 -6.555260 43.99594 
1 1 1   -6   -3    1 o  573.055   18.166  4136.14  259.964  4089.83  367.583  4182.48  367.707  567.285   25.948  573.785   25.663 -6.499329 36.49478 
1 1 1   -6   -3    2 o  481.662   15.694  2916.62  188.770  2921.11  266.950  2912.13  266.972  480.379   22.253  479.630   22.290 0.7491760 31.49688 
1 1 1   -6   -3    3 o  891.106   39.096 10357.82  869.989  9245.03  1228.66 11476.76  1232.05  816.066   60.726  919.288   53.905 -103.2220 81.19978 
1 1 1   -6   -3    4 o  549.548   20.309  3818.04  278.700  3663.08  482.531  3895.62  341.404  529.796   36.699  553.463   24.702 -23.66614 44.23763 
1 1 1   -6   -3    5 o  395.794   15.545  1970.46  153.645  1994.93  266.361  1958.26  188.090  394.389   27.212  393.823   19.126 0.5658875 33.26081 
1 1 1   -6   -3    6 o  162.349   9.4258  331.059   38.049  381.397   66.519  306.580   46.387  173.483   15.519  155.911   12.007 17.57246 19.62108 
1 1 1   -6   -3    7 o  232.107   13.717  678.382   79.150  667.129  112.032  689.596  111.837  229.127   19.774  233.056   19.393 -3.929321 27.69612 
1 1 1   -6   -3    8 o  136.325   11.649  234.454   39.275  219.938   55.716  248.791   55.372  131.134   17.447  139.825   16.156 -8.691269 23.77851 
1 1 1   -6   -3    9 o  478.179   22.180  2882.12  264.851  2872.75  374.743  2891.48  374.368  474.036   31.842  475.633   31.701 -1.597595 44.93169 
1 1 1   -6   -3   10 o  216.612   19.013  593.762  101.803   0.0000   0.0000  593.762  101.803  ?   ?   216.612   19.013 0.000000 19.01268 
1 1 1   -6   -3   11 o  585.027   26.279  4317.10  383.915  4433.59  543.385  4201.00  542.491  588.806   37.146  572.721   38.150 16.08490 53.24709 
1 1 1   -6   -3   12 o  491.704   22.680  3040.23  278.479  3033.44  394.123  3046.99  393.537  488.310   32.507  489.438   32.382 -1.127930 45.88309 
1 1 1   -6   -3   13 o  242.083   14.208  736.216   85.516  733.190  121.485  739.188  120.397  240.807   20.394  241.836   20.119 -1.029831 28.64756 
1 1 1   -6   -3   14 o  278.800   15.304  976.475  106.141  987.240  150.699  965.877  149.519  279.475   21.765  276.404   21.840 3.071106 30.83338 
1 1 1   -6   -3   15 o  455.675   30.721  2637.76  347.536  2637.76  347.536   0.0000   0.0000  455.675   30.721  ?   ?  0.000000 30.72108 
1 1 1   -6   -3   16 o  621.124   27.740  4871.44  430.267  5000.92  609.369  4742.69  607.614  624.690   39.263  607.887   40.255 16.80292 56.23187 
1 1 1   -6   -3   17 o  413.616   19.563  2149.27  202.058  2292.92  287.512  2009.08  284.026  425.156   27.223  397.476   28.811 27.68024 39.63805 
1 1 1   -6   -3   18 o  615.368   39.994  4886.35  611.253   0.0000   0.0000  4886.35  611.253  ?   ?   615.368   39.994 0.000000 39.99440 
1 1 1   -6   -3   19 o  438.079   30.170  2454.61  328.042  2454.61  328.042   0.0000   0.0000  438.079   30.170  ?   ?  0.000000 30.17047 
1 1 1   -6   -3   20 o  337.918   17.327  1440.49  145.722  1487.22  209.376  1396.59  202.939  341.590   24.712  330.958   24.734 10.63196 34.96382 
1 1 1   -6   -3   21 o  594.821   26.614  4513.73  395.314  4819.61  561.749  4213.64  556.405  607.520   37.207  566.269   39.597 41.25128 54.33504 
1 1 1   -6   -3   22 o  411.945   20.007  2149.82  205.809  2156.86  293.343  2142.99  288.823  408.490   28.944  407.345   28.574 1.145355 40.67282 
1 1 1   -6   -3   23 f  114.062   13.410  165.886   37.467  198.878   60.966  145.865   47.494  123.554   20.477  105.805   18.657 17.74826 27.70199 
1 1 1   -6   -3   24 o  298.127   16.325  1127.29  121.071  1128.35  174.693  1126.30  167.948  295.686   23.862  295.786   22.917 -0.9936523E-01 33.08422 
1 1 1   -6   -3   25 o  417.292   30.110  2288.54  311.650  2288.54  311.650   0.0000   0.0000  417.292   30.110  ?   ?  0.000000 30.10950 
1 1 1   -6   -3   26 o  423.648   20.145  2292.25  213.125  2464.84  305.896  2129.43  297.105  433.749   28.398  402.085   29.802 31.66431 41.16549 
1 1 1   -6   -3   27 o  248.676   14.584  784.446   90.167  889.326  134.847  699.633  121.263  262.804   20.715  232.785   21.089 30.01891 29.56164 
1 1 1   -6   -3   28 o  361.871   18.000  1667.77  162.663  1810.18  236.439  1539.81  224.133  372.535   25.570  343.000   26.369 29.53506 36.73139 
1 1 1   -6   -3   29 o  320.534   17.006  1310.10  135.638  1399.25  200.013  1234.18  184.560  327.627   24.627  307.817   24.205 19.81012 34.53125 
1 1 1   -6   -3   30 o  156.564   18.060  316.632   69.315   0.0000   0.0000  316.632   69.315  ?   ?   156.564   18.060 0.000000 18.06023 
1 1 1   -6   -3   31 o  181.008   14.857  418.218   66.565  400.266  109.685  428.685   83.751  173.187   26.179  182.144   18.677 -8.957169 32.15839 
1 1 1   -6   -3   32 o  126.978   15.948  208.316   49.453  133.569   93.265  237.551   58.327   99.974   32.560  135.227   17.697 -35.25319 37.05883 
1 1 1   -6   -3   33 o  129.733   15.143  217.110   48.135  279.799   96.811  196.524   55.478  142.704   28.167  122.293   18.766 20.41147 33.84558 
1 1 1   -6   -3   34 o  120.589   32.444  208.501   99.840  208.501   99.840   0.0000   0.0000  120.589   32.444  ?   ?  0.000000 32.44394 
1 1 1   -6   -3   35 o  154.644   14.912  309.542   56.874  399.738  112.485  278.565   65.921  169.453   27.527  145.207   18.608 24.24606 33.22627 
1 1 1   -6   -3   36 o  146.300   15.681  280.054   56.395  274.608  115.451  281.760   64.630  134.288   34.304  145.643   18.165 -11.35458 38.81649 
1 1 1   -6   -3   37 o   51.302   17.782   32.252   27.799   18.019   98.543   33.483   28.975   69.860   30.354   52.249   18.152 17.61110 35.36713 
1 1 1   -6   -3   38 o  181.839   19.266  450.158   86.151   0.0000   0.0000  450.158   86.151  ?   ?   181.839   19.266 0.000000 19.26594 
1 1 1   -6   -3   39 o   57.613   18.266   45.024   29.492  -7.8428  114.908   48.752   30.515   67.810   30.871   59.637   18.533 8.172970 36.00677 
1 1 1   -6   -3   40 o  208.864   20.724  614.292  106.662   0.0000   0.0000  614.292  106.662  ?   ?   208.864   20.724 0.000000 20.72366 
1 1 1   -6   -3   41 o   44.791   17.467   20.025   28.193   59.287  137.342   18.297   28.807   77.468   34.640   44.337   17.544 33.13126 38.82941 
1 1 1   -6   -3   42 o  133.747   17.117  250.157   55.857  400.716  167.745  231.381   59.237  129.048   43.713  126.796   19.319 2.252151 47.79154 
1 1 1   -6   -2    1 o  377.132   12.199  1782.56  114.885  1799.11  162.492  1766.02  162.453  378.174   17.206  374.655   17.364 3.519836 24.44508 
1 1 1   -6   -2    2 o  288.889   10.593  1045.12   76.418  1039.21  108.057  1051.03  108.086  287.242   15.118  288.888   15.035 -1.646149 21.32104 
1 1 1   -6   -2    3 o  505.202   22.781  3233.08  287.395  2805.71  405.747  3663.37  407.133  464.840   35.216  533.868   30.668 -69.02740 46.69745 
1 1 1   -6   -2    4 o  273.154   14.764  940.268  100.337  1012.29  142.210  868.876  141.587  282.324   20.307  261.076   21.920 21.24878 29.88074 
1 1 1   -6   -2    5 o  175.068   8.2315  383.468   35.986  373.280   50.877  393.668   50.907  172.128   11.910  176.828   11.593 -4.700348 16.62019 
1 1 1   -6   -2    6 o  186.207   8.7815  433.934   40.833  599.701   71.758  354.554   49.657  218.186   13.233  167.733   11.933 50.45334 17.81872 
1 1 1   -6   -2    7 o  205.218   10.209  527.400   52.318  403.601   90.465  589.612   64.130  177.531   20.800  216.545   11.905 -39.01390 23.96600 
1 1 1   -6   -2    8 o  311.300   13.092  1215.25  101.776  1235.48  176.606  1205.19  124.535  311.701   22.848  309.241   16.183 2.459534 27.99866 
1 1 1   -6   -2    9 f  124.878   11.581  196.930   35.704  195.066   50.831  198.744   50.161  123.486   16.930  124.735   16.509 -1.249306 23.64670 
1 1 1   -6   -2   10 o  154.144   12.014  299.220   45.881  290.890   65.199  307.391   64.576  151.217   17.595  155.611   16.889 -4.393585 24.38898 
1 1 1   -6   -2   11 o  258.527   20.730  845.358  132.704   0.0000   0.0000  845.358  132.704  ?   ?   258.527   20.730 0.000000 20.72971 
1 1 1   -6   -2   12 o  916.448   40.091 10724.95  917.497 10712.05  1297.76 10737.83  1297.32  903.549   57.820  904.711   57.724 -1.162781 81.70160 
1 1 1   -6   -2   13 f  616.984   27.600  4801.61  425.243  4778.38  601.662  4824.79  601.107  611.013   39.646  614.073   39.408 -3.060303 55.89992 
1 1 1   -6   -2   14 o  465.795   21.641  2725.71  251.717  2807.61  356.562  2644.34  355.405  470.368   30.521  456.215   31.387 14.15326 43.78015 
1 1 1   -6   -2   15 o  800.334   35.069  8129.00  700.887  8303.66  991.983  7954.89  990.425  800.928   49.845  783.266   50.913 17.66180 71.25018 
1 1 1   -6   -2   16 o  522.958   34.468  3485.52  447.601  3485.52  447.601   0.0000   0.0000  522.958   34.468  ?   ?  0.000000 34.46792 
1 1 1   -6   -2   17 o  233.857   14.178  687.401   82.408  722.846  117.519  653.110  115.589  239.092   19.863  227.069   20.609 12.02246 28.62316 
1 1 1   -6   -2   18 o  284.469   15.337  1017.30  108.545  1107.06  155.879  932.813  151.238  295.901   21.237  271.263   22.530 24.63724 30.96148 
1 1 1   -6   -2   19 o  673.305   29.936  5759.93  503.326  5942.60  713.286  5578.76  710.346  676.851   42.415  654.988   43.680 21.86285 60.88499 
1 1 1   -6   -2   20 o  630.407   28.143  5053.13  443.044  5294.41  628.342  4814.57  624.792  638.583   39.598  607.764   41.414 30.81964 57.29854 
1 1 1   -6   -2   21 o  696.966   30.892  6224.54  537.666  6567.29  762.964  5886.40  757.810  705.961   43.490  666.322   45.822 39.63959 63.17480 
1 1 1   -6   -2   22 o  382.152   18.030  1842.84  172.059  2099.42  247.732  1603.74  239.152  405.360   24.589  353.119   27.334 52.24069 36.76642 
1 1 1   -6   -2   23 o  383.505   18.981  1861.98  181.779  1875.14  259.572  1849.31  254.647  381.112   27.458  378.620   27.112 2.492035 38.58812 
1 1 1   -6   -2   24 f  243.034   14.277  746.689   86.264  837.903  126.386  667.132  118.034  256.061   19.922  228.020   20.964 28.04103 28.92029 
1 1 1   -6   -2   25 f  191.121   13.602  462.532   64.495  486.371   97.047  443.674   86.313  194.396   20.290  185.966   18.846 8.429916 27.69277 
1 1 1   -6   -2   26 f  169.808   21.268  374.022   88.205  374.022   88.205   0.0000   0.0000  169.808   21.268  ?   ?  0.000000 21.26754 
1 1 1   -6   -2   27 o  188.096   13.560  448.589   63.266  505.105   97.659  407.717   83.050  197.954   20.032  177.952   18.982 20.00146 27.59669 
1 1 1   -6   -2   28 o  190.141   13.932  458.955   65.690  496.277  101.972  432.480   85.886  195.725   21.202  183.229   19.049 12.49588 28.50278 
1 1 1   -6   -2   29 o  442.885   20.881  2514.64  230.942  2723.20  332.625  2320.52  320.893  454.246   29.483  418.035   30.960 36.21106 42.75195 
1 1 1   -6   -2   30 o  244.805   15.185  762.119   92.370  807.473  141.196  728.187  122.130  249.182   22.949  237.387   20.812 11.79500 30.98079 
1 1 1   -6   -2   31 o  231.678   20.322  693.734  116.382   0.0000   0.0000  693.734  116.382  ?   ?   231.678   20.322 0.000000 20.32173 
1 1 1   -6   -2   32 o  239.684   15.544  732.769   92.537  751.101  144.659  720.072  120.393  238.984   24.591  235.703   20.663 3.281143 32.11937 
1 1 1   -6   -2   33 f   84.415   18.097   94.610   37.003  104.148   85.152   92.390   41.085   90.494   31.136   83.087   20.035 7.407150 37.02481 
1 1 1   -6   -2   34 f  384.699   20.339  1923.35  194.693  1896.22  286.981  1946.48  265.005  372.364   31.149  380.348   28.100 -7.983826 41.95079 
1 1 1   -6   -2   35 o  177.089   28.974  435.901  123.696  435.901  123.696   0.0000   0.0000  177.089   28.974  ?   ?  0.000000 28.97360 
1 1 1   -6   -2   36 o   98.745   17.254  129.849   40.997  129.084   99.967  130.004   44.951   96.352   33.703   98.206   19.017 -1.854012 38.69744 
1 1 1   -6   -2   37 o  101.400   16.921  137.443   41.337  162.899  105.763  132.854   44.909  103.858   34.712   98.911   18.870 4.946396 39.50954 
1 1 1   -6   -2   38 o  250.588   17.301  833.323  107.598  798.411  177.974  853.434  135.079  230.126   31.822  249.245   21.926 -19.11873 38.64378 
1 1 1   -6   -2   39 o  103.962   18.734  149.178   46.847   0.0000   0.0000  149.178   46.847  ?   ?   103.962   18.734 0.000000 18.73418 
1 1 1   -6   -2   40 o  144.927   17.311  285.493   61.409  204.157  151.388  301.513   67.185  104.818   40.586  148.102   18.575 -43.28374 44.63456 
1 1 1   -6   -2   41 o   95.792   17.615  127.796   40.584  285.231  140.085  113.371   42.402  120.405   39.938   89.049   19.600 31.35615 44.48838 
1 1 1   -6   -2   42 o   46.290   17.299   24.703   26.905  101.934  144.757   21.940   27.382   83.104   36.433   45.210   17.325 37.89465 40.34269 
1 1 1   -6   -2   43 o   76.748   19.093   86.733   36.443  224.559  163.500   79.527   37.383   96.680   40.439   73.034   19.938 23.64635 45.08757 
1 1 1   -6   -1    1 o  275.792   10.393  952.269   71.579  952.599  101.218  951.939  101.239  275.069   14.790  274.971   14.798 0.9698486E-01 20.92195 
1 1 1   -6   -1    2 o  223.543   9.3397  625.341   52.137  637.122   73.749  613.571   73.716  225.008   13.183  220.762   13.436 4.246048 18.82299 
1 1 1   -6   -1    3 o  314.371   11.212  1238.18   88.022  1216.58  124.411  1259.82  124.552  310.652   16.093  316.583   15.755 -5.931610 22.52078 
1 1 1   -6   -1    4 o  463.454   21.637  2717.82  250.411  2639.33  354.088  2796.36  354.181  452.355   31.543  466.111   30.599 -13.75540 43.94618 
1 1 1   -6   -1    5 o  540.568   16.989  3680.02  229.335  3712.01  324.373  3648.04  324.284  540.607   24.028  535.851   24.234 4.756897 34.12671 
1 1 1   -6   -1    6 o  241.482   9.6866  730.173   58.413  726.008   82.569  734.347   82.646  240.047   13.833  241.437   13.765 -1.389938 19.51468 
1 1 1   -6   -1    7 o  249.905   11.320  782.705   70.644  827.725  122.674  760.367   86.410  255.361   19.382  245.655   14.146 9.705704 23.99524 
1 1 1   -6   -1    8 o  415.412   16.134  2169.73  167.365  2176.26  290.083  2166.46  204.909  412.149   28.358  414.372   19.802 -2.222931 34.58740 
1 1 1   -6   -1    9 o  280.104   12.182  982.977   85.208  866.499  147.614  1041.18  104.349  260.901   22.888  287.703   14.572 -26.80286 27.13309 
1 1 1   -6   -1   10 o  367.958   13.847  1696.76  127.231  1963.57  221.343  1565.10  155.485  394.001   22.591  352.990   17.639 41.01114 28.66163 
1 1 1   -6   -1   11 o  625.078   27.577  4938.83  430.453  5325.91  610.022  4554.94  607.491  644.517   38.071  594.554   41.170 49.96228 56.07443 
1 1 1   -6   -1   12 o  979.959   62.956 12726.44  1532.47   0.0000   0.0000 12726.44  1532.47  ?   ?   979.959   62.956 0.000000 62.95626 
1 1 1   -6   -1   13 f  556.983   25.209  3906.90  350.626  3909.19  496.086  3904.62  495.635  553.560   36.085  553.239   36.073 0.3212280 51.02312 
1 1 1   -6   -1   14 o  284.452   15.457  1016.40  109.384  1006.18  155.111  1026.52  154.277  282.108   22.197  285.019   21.842 -2.910889 31.14154 
1 1 1   -6   -1   15 o  494.204   22.759  3070.16  280.875  3129.04  397.729  3011.59  396.707  496.235   32.271  486.646   32.836 9.589935 46.03974 
1 1 1   -6   -1   16 o  689.862   30.578  6016.77  526.770  5975.80  745.334  6057.67  744.597  681.689   44.019  686.521   43.660 -4.831299 61.99865 
1 1 1   -6   -1   18 o  183.538   19.318  427.655   87.213  427.655   87.213   0.0000   0.0000  183.538   19.318  ?   ?  0.000000 19.31847 
1 1 1   -6   -1   19 o  303.429   15.879  1157.86  119.902  1272.80  171.696  1048.45  167.515  317.203   21.808  287.425   23.545 29.77823 32.09330 
1 1 1   -6   -1   20 o  593.131   26.757  4458.79  396.307  4556.37  561.872  4362.18  559.065  593.980   38.081  580.786   38.770 13.19452 54.34420 
1 1 1   -6   -1   21 o  601.821   27.133  4605.27  407.774  4748.12  578.334  4464.05  575.038  604.499   38.512  585.437   39.566 19.06232 55.21476 
1 1 1   -6   -1   22 o  518.447   23.897  3412.72  309.389  3496.15  439.884  3331.05  435.237  519.296   34.111  506.561   34.614 12.73434 48.59719 
1 1 1   -6   -1   23 o  387.931   27.450  1937.55  264.203   0.0000   0.0000  1937.55  264.203  ?   ?   387.931   27.450 0.000000 27.45024 
1 1 1   -6   -1   24 o  354.887   17.505  1592.31  155.136  1749.10  222.870  1444.93  216.079  369.087   24.317  334.624   26.064 34.46335 35.64631 
1 1 1   -6   -1   25 o  158.819   12.995  319.478   51.085  381.867   79.368  275.349   66.750  172.518   18.724  146.184   18.715 26.33348 26.47298 
1 1 1   -6   -1   26 o  290.394   16.154  1070.06  116.680  1077.46  169.258  1063.35  161.069  288.784   23.679  287.288   22.635 1.495453 32.75702 
1 1 1   -6   -1   27 o  308.758   24.854  1237.13  190.007  1237.13  190.007   0.0000   0.0000  308.758   24.854  ?   ?  0.000000 24.85394 
1 1 1   -6   -1   28 o  209.258   13.987  555.206   72.670  621.795  110.876  505.062   96.217  219.683   20.446  198.033   19.719 21.65018 28.40532 
1 1 1   -6   -1   29 o  223.481   15.316  635.075   84.959  541.959  127.363  709.726  114.038  202.997   25.701  234.997   19.612 -32.00041 32.32889 
1 1 1   -6   -1   30 o  188.107   13.942  449.433   65.026  541.425  105.064  392.315   82.787  204.550   20.860  174.273   19.350 30.27737 28.45309 
1 1 1   -6   -1   31 o  208.682   14.825  554.084   76.755  572.486  122.140  542.074   98.672  209.145   23.811  205.006   19.509 4.138535 30.78250 
1 1 1   -6   -1   32 o   63.384   19.318   51.770   33.343   0.0000   0.0000   51.770   33.343  ?   ?    63.384   19.318 0.000000 19.31806 
1 1 1   -6   -1   33 o  160.526   14.406  329.198   57.133  439.999  105.613  283.357   67.931  182.615   23.720  147.608   18.860 35.00658 30.30412 
1 1 1   -6   -1   34 o  298.033   16.748  1138.46  124.140  1256.86  190.891  1051.69  163.415  308.432   24.999  283.001   23.331 25.43063 34.19530 
1 1 1   -6   -1   35 o  346.568   17.961  1551.25  154.910  1755.91  234.989  1393.95  206.010  362.194   26.157  322.865   25.766 39.32932 36.71622 
1 1 1   -6   -1   36 o  137.802   32.941  276.616  111.818  276.616  111.818   0.0000   0.0000  137.802   32.941  ?   ?  0.000000 32.94140 
1 1 1   -6   -1   37 o  173.051   15.096  388.856   64.583  522.642  127.526  342.709   74.898  193.252   27.176  160.566   19.051 32.68597 33.18896 
1 1 1   -6   -1   38 o   95.908   17.334  124.018   39.987  219.381  110.453  109.634   42.897  118.151   34.971   89.155   19.784 28.99596 40.17969 
1 1 1   -6   -1   39 o  124.401   16.760  207.432   50.739  189.470  123.413  211.085   55.661  107.074   37.447  124.647   18.438 -17.57281 41.74051 
1 1 1   -6   -1   41 o   69.549   18.976   68.423   33.874   47.007  130.267   69.976   35.081   77.535   34.255   70.224   19.374 7.310928 39.35396 
1 1 1   -6   -1   42 o   45.297   17.202   22.146   26.839   80.280  143.342   20.034   27.323   81.814   36.050   44.554   17.245 37.25994 39.96206 
1 1 1   -6   -1   43 o   69.909   19.378   71.357   35.003   38.210  151.591   73.224   35.975   75.303   34.718   70.697   19.663 4.605827 39.89940 
1 1 1   -6    0    1 o  263.155   10.137  866.915   66.615  868.013   94.236  865.818   94.180  262.580   14.427  262.245   14.437 0.3348083 20.40981 
1 1 1   -6    0    2 o  104.606   7.5086  137.529   19.484  143.630   27.532  131.409   27.576  106.593   10.479  101.840   11.019 4.753273 15.20600 
1 1 1   -6    0    3 o  109.529   7.6394  150.751   20.764  153.360   29.323  148.128   29.407  110.130   10.801  108.186   11.040 1.944542 15.44479 
1 1 1   -6    0    4 o  475.387   22.034  2860.50  261.568  2985.08  370.203  2736.31  369.623  481.555   30.949  460.329   32.360 21.22614 44.77756 
1 1 1   -6    0    5 o  312.388   16.170  1231.04  125.706  1264.38  177.961  1197.85  177.589  315.039   22.774  306.428   23.385 8.611267 32.64209 
1 1 1   -6    0    6 o  340.178   11.987  1451.15  101.827  1451.10  143.993  1451.20  144.016  339.004   17.064  339.016   17.066 -0.1165771E-01 24.13353 
1 1 1   -6    0    7 o  646.572   19.746  5280.23  318.818  5301.74  450.887  5258.72  450.866  644.157   28.030  641.478   28.146 2.679016 39.72254 
1 1 1   -6    0    8 o  132.570   8.0387  220.634   26.486  220.468   37.446  220.800   37.469  132.149   11.461  132.249   11.459 -0.1005707 16.20662 
1 1 1   -6    0    9 o   81.002   9.1536   83.134   18.191  106.684   32.184   72.080   22.051   91.070   14.648   74.886   12.213 16.18400 19.07156 
1 1 1   -6    0   10 o  454.293   17.193  2592.45  195.050  2652.20  338.199  2562.68  238.759  455.819   29.877  450.972   21.201 4.846985 36.63512 
1 1 1   -6    0   11 o  437.806   16.810  2404.79  183.786  2313.48  318.482  2450.38  225.036  426.142   30.122  441.433   20.414 -15.29153 36.38814 
1 1 1   -6    0   12 o  266.318   21.093  896.939  139.127   0.0000   0.0000  896.939  139.127  ?   ?   266.318   21.093 0.000000 21.09253 
1 1 1   -6    0   13 o  715.757   30.807  6480.20  550.646  7201.64  780.781  5766.29  776.696  749.378   41.891  668.066   46.853 81.31256 62.84947 
1 1 1   -6    0   14 o  536.566   24.412  3622.80  327.092  3615.39  462.826  3630.20  462.331  532.759   34.983  533.886   34.869 -1.127563 49.39318 
1 1 1   -6    0   15 o  428.893   20.309  2308.98  217.520  2338.70  307.962  2279.39  307.277  429.550   28.878  423.973   29.201 5.577545 41.06852 
1 1 1   -6    0   16 o  615.037   27.535  4769.90  422.903  4768.37  598.418  4771.43  597.732  610.597   39.457  610.815   39.397 -0.2175903 55.75879 
1 1 1   -6    0   17 o  645.911   28.813  5268.31  464.741  5203.58  657.494  5332.94  656.993  636.820   41.573  644.951   41.006 -8.131226 58.39355 
1 1 1   -6    0   18 o  171.984   19.058  375.779   80.476  375.779   80.476   0.0000   0.0000  171.984   19.058  ?   ?  0.000000 19.05847 
1 1 1   -6    0   19 o  388.846   18.972  1899.14  184.217  1917.99  261.561  1880.58  259.496  388.662   27.119  384.822   27.178 3.840332 38.39433 
1 1 1   -6    0   20 o  174.660   13.045  384.259   56.485  412.165   82.850  360.022   77.212  180.132   18.691  168.224   18.696 11.90820 26.43653 
1 1 1   -6    0   21 o  251.322   14.679  795.189   91.727  829.031  132.246  763.814  127.336  255.578   20.904  245.232   20.996 10.34595 29.62755 
1 1 1   -6    0   22 o  319.988   16.792  1291.67  133.709  1319.35  191.336  1265.25  186.928  321.719   23.988  315.030   23.940 6.688843 33.89086 
1 1 1   -6    0   23 o  292.994   16.017  1083.83  116.743  1103.09  168.058  1065.86  162.293  293.867   23.087  288.952   22.674 4.915192 32.35909 
1 1 1   -6    0   24 o  257.370   21.117  846.342  134.523   0.0000   0.0000  846.342  134.523  ?   ?   257.370   21.117 0.000000 21.11700 
1 1 1   -6    0   25 o  199.382   13.689  502.694   67.743  532.387  100.631  478.086   91.610  203.793   20.033  193.220   19.242 10.57333 27.77732 
1 1 1   -6    0   26 o  279.262   15.659  988.239  108.760  1029.44  157.957  951.102  149.973  282.855   22.550  271.913   22.283 10.94189 31.70202 
1 1 1   -6    0   27 o  212.307   13.981  570.869   73.708  628.459  111.088  525.575   98.519  221.121   20.346  202.229   19.761 18.89188 28.36327 
1 1 1   -6    0   28 o  100.864   26.313  136.617   66.972  136.617   66.972   0.0000   0.0000  100.864   26.313  ?   ?  0.000000 26.31313 
1 1 1   -6    0   29 o  224.052   14.929  637.447   83.051  611.979  124.465  657.887  111.505  216.913   23.345  226.175   19.947 -9.261765 30.70627 
1 1 1   -6    0   30 o  321.267   17.763  1316.46  141.954  1249.32  207.062  1375.99  194.989  308.649   27.141  325.609   24.153 -16.95975 36.33160 
1 1 1   -6    0   31 o  274.440   16.256  958.886  110.908  959.959  166.387  958.027  148.781  271.163   24.848  272.126   22.084 -0.9630127 33.24395 
1 1 1   -6    0   32 o  170.420   15.110  370.767   63.638  319.878  106.031  399.419   79.561  153.874   28.648  176.042   18.369 -22.16791 34.03138 
1 1 1   -6    0   33 o  138.723   18.220  249.718   61.590   0.0000   0.0000  249.718   61.590  ?   ?   138.723   18.220 0.000000 18.21977 
1 1 1   -6    0   34 o  186.259   14.891  443.235   68.682  520.234  121.277  406.880   83.333  198.031   25.087  177.087   19.149 20.94383 31.56008 
1 1 1   -6    0   35 o  233.226   14.981  695.409   86.788  898.186  145.691  583.873  108.051  261.524   22.528  211.338   20.741 50.18640 30.62230 
1 1 1   -6    0   36 o  410.070   20.803  2201.60  212.327  2332.38  314.827  2092.48  287.572  410.898   30.909  390.528   29.711 20.36942 42.87279 
1 1 1   -6    0   37 o  123.566   35.142  228.666  113.588  228.666  113.588   0.0000   0.0000  123.566   35.142  ?   ?  0.000000 35.14210 
1 1 1   -6    0   38 o   96.717   17.958  126.038   41.775   34.005  108.082  142.201   45.295   76.046   32.394  102.733   18.328 -26.68741 37.21915 
1 1 1   -6    0   39 o   60.758   19.210   49.282   32.635   0.0000   0.0000   49.282   32.635  ?   ?    60.758   19.210 0.000000 19.20981 
1 1 1   -6    0   40 o  122.315   16.533  200.792   49.205  283.646  128.306  186.506   53.279  129.037   37.551  116.584   18.952 12.45293 42.06200 
1 1 1   -6    0   41 o  130.180   18.619  232.889   58.803   0.0000   0.0000  232.889   58.803  ?   ?   130.180   18.619 0.000000 18.61882 
1 1 1   -6    0   42 o  103.400   18.035  148.522   44.873  138.837  141.748  149.601   47.306   92.051   38.005  103.202   19.058 -11.15088 42.51607 
1 1 1   -6    0   43 o   54.540   18.408   40.045   29.746   72.543  149.551   38.706   30.352   80.634   36.095   53.985   18.588 26.64952 40.60007 
1 1 1   -6    0   44 o   62.646   19.213   56.891   32.917   88.381  164.908   55.584   33.593   80.774   36.854   61.984   19.476 18.78994 41.68336 
1 1 1   -6    1    1 o  417.634   13.973  2189.09  145.728  2202.49  206.109  2175.70  206.072  417.834   19.753  415.258   19.872 2.575195 28.01983 
1 1 1   -6    1    2 o  107.753   7.7226  145.944   20.642  152.472   29.197  139.420   29.188  109.811   10.787  104.886   11.323 4.924988 15.63871 
1 1 1   -6    1    3 o  132.271   16.251  223.272   52.550   0.0000   0.0000  223.272   52.550  ?   ?   132.271   16.251 0.000000 16.25137 
1 1 1   -6    1    4 o  225.857   13.182  642.228   74.024  516.067  104.337  770.090  105.038  200.968   21.106  246.733   17.155 -45.76529 27.19789 
1 1 1   -6    1    5 o  269.028   14.743  912.136   98.665  941.620  139.666  882.763  139.401  272.146   20.706  263.295   21.387 8.850861 29.76817 
1 1 1   -6    1    6 o  184.365   8.6489  425.360   39.819  422.807   56.303  427.915   56.323  183.183   12.381  184.301   12.309 -1.117599 17.45819 
1 1 1   -6    1    7 f  586.721   18.620  4342.49  272.813  4251.45  385.698  4433.65  385.935  577.412   26.749  589.906   26.199 -12.49371 37.44185 
1 1 1   -6    1    8 o  332.121   11.792  1382.63   97.795  1381.74  138.259  1383.51  138.348  330.940   16.785  331.152   16.785 -0.2119751 23.73726 
1 1 1   -6    1    9 o  442.706   14.622  2460.23  161.650  2396.83  228.488  2523.77  228.728  435.729   20.999  447.239   20.480 -11.50943 29.33228 
1 1 1   -6    1   10 o  341.597   13.552  1462.63  115.599  1170.39  199.716  1609.87  141.760  302.768   26.688  358.123   15.851 -55.35477 31.04059 
1 1 1   -6    1   11 o  171.731   9.9625  370.113   42.540  359.384   74.157  375.375   51.935  168.240   17.927  172.743   12.116 -4.502991 21.63758 
1 1 1   -6    1   12 o  363.529   14.235  1655.22  129.229  1785.72  224.512  1590.55  158.034  375.757   24.053  356.048   17.774 19.70908 29.90760 
1 1 1   -6    1   13 f  636.151   40.921  5190.83  646.623   0.0000   0.0000  5190.83  646.623  ?   ?   636.151   40.921 0.000000 40.92139 
1 1 1   -6    1   14 o  192.540   10.407  464.882   49.852  458.624   87.490  467.891   60.663  190.321   18.648  192.966   12.659 -2.644913 22.53907 
1 1 1   -6    1   15 o  555.731   20.373  3876.57  282.735  4045.36  490.613  3792.63  345.961  563.766   35.022  548.907   25.239 14.85852 43.16909 
1 1 1   -6    1   16 o  201.542   18.946  513.942   94.235   0.0000   0.0000  513.942   94.235  ?   ?   201.542   18.946 0.000000 18.94621 
1 1 1   -6    1   17 o  530.216   34.845  3581.30  458.789  3581.30  458.789   0.0000   0.0000  530.216   34.845  ?   ?  0.000000 34.84455 
1 1 1   -6    1   18 o  500.765   23.075  3154.64  288.557  3180.45  408.772  3129.00  407.394  499.842   32.933  495.718   33.100 4.124359 46.69319 
1 1 1   -6    1   19 o  799.704   51.303  8342.98  1019.13  8342.98  1019.13   0.0000   0.0000  799.704   51.303  ?   ?  0.000000 51.30337 
1 1 1   -6    1   20 o  329.775   17.137  1368.65  140.637  1326.19  199.874  1410.29  197.922  323.170   24.960  333.539   23.922 -10.36877 34.57263 
1 1 1   -6    1   21 o  175.979   13.469  390.403   58.738  348.742   85.653  427.389   80.705  165.011   21.282  183.548   17.833 -18.53702 27.76586 
1 1 1   -6    1   22 o  898.451   39.847 10478.69  893.999 10864.26  1266.02 10095.19  1262.60  895.909   56.883  860.898   59.088 35.01086 82.01884 
1 1 1   -6    1   23 o  496.885   23.086  3131.32  286.456  3203.95  406.837  3059.91  403.406  497.660   32.923  486.032   33.441 11.62845 46.92767 
1 1 1   -6    1   24 o  601.715   27.299  4638.67  410.198  4799.35  582.517  4480.62  577.727  603.164   38.881  581.809   40.007 21.35504 55.78846 
1 1 1   -6    1   25 o  196.033   18.902  491.076   91.383   0.0000   0.0000  491.076   91.383  ?   ?   196.033   18.902 0.000000 18.90164 
1 1 1   -6    1   26 f  100.376   14.590  129.596   35.500  143.324   58.881  121.756   44.496  103.896   23.273   96.313   19.175 7.582893 30.15435 
1 1 1   -6    1   27 o  551.811   25.729  3926.75  354.540  3945.13  504.363  3908.80  498.480  542.519   37.458  540.284   37.173 2.235229 52.77249 
1 1 1   -6    1   28 o  262.923   15.595  877.110  101.933  860.736  149.312  891.402  139.498  257.890   23.441  263.235   21.407 -5.344971 31.74488 
1 1 1   -6    1   29 o  553.103   38.807  4151.45  532.604  4151.45  532.604   0.0000   0.0000  553.103   38.807  ?   ?  0.000000 38.80666 
1 1 1   -6    1   30 o  515.016   24.420  3424.52  314.067  3434.13  448.398  3415.27  440.036  505.325   35.765  504.546   35.144 0.7790833 50.14239 
1 1 1   -6    1   31 o  203.621   13.893  525.945   70.219  666.490  112.061  435.084   90.102  227.572   19.920  183.507   19.985 44.06583 28.21716 
1 1 1   -6    1   32 o  259.416   16.085  856.893  103.687  827.726  156.206  879.866  138.632  251.440   25.218  260.939   21.466 -9.498978 33.11647 
1 1 1   -6    1   33 o  206.949   15.286  545.816   78.437  531.112  125.988  555.121  100.231  200.475   25.762  207.391   19.586 -6.915955 32.36184 
1 1 1   -6    1   34 o  122.097   18.739  194.880   55.309   0.0000   0.0000  194.880   55.309  ?   ?   122.097   18.739 0.000000 18.73870 
1 1 1   -6    1   35 o   98.629   17.660  128.031   41.900  114.418   95.349  131.289   46.644   94.682   32.926   99.425   19.484 -4.742805 38.25911 
1 1 1   -6    1   36 o  563.341   26.344  4227.89  370.602  4557.48  535.666  3925.27  513.271  564.919   38.196  521.552   39.708 43.36670 55.09644 
1 1 1   -6    1   37 o  304.396   17.397  1201.13  131.689  1321.60  206.448  1118.48  170.995  311.718   26.782  289.042   23.905 22.67578 35.89836 
1 1 1   -6    1   38 o  224.428   29.355  712.323  160.572  712.323  160.572   0.0000   0.0000  224.428   29.355  ?   ?  0.000000 29.35473 
1 1 1   -6    1   39 o  256.497   16.935  864.637  107.864  944.136  181.926  821.541  133.947  256.434   28.915  245.805   22.056 10.62836 36.36675 
1 1 1   -6    1   40 f  141.682   16.214  266.642   56.332  326.344  131.865  253.315   62.304  140.837   37.010  136.717   18.742 4.120224 41.48536 
1 1 1   -6    1   41 o   62.604   18.781   53.917   31.697  119.833  123.278   49.251   32.799   90.732   36.170   60.339   19.277 30.39289 40.98610 
1 1 1   -6    1   42 o   56.421   18.884   42.213   31.303   0.0000   0.0000   42.213   31.303  ?   ?    56.421   18.884 0.000000 18.88423 
1 1 1   -6    1   43 o  103.061   18.387  148.675   45.584   85.833  151.987  154.887   47.784   84.065   37.077  104.905   18.937 -20.83999 41.63341 
1 1 1   -6    1   44 o   33.081   14.517  -2.6722   23.031  117.686  158.741  -5.2602   23.277   85.853   37.878   32.401   14.389 53.45222 40.51852 
1 1 1   -6    2    1 o  458.991   21.331  2664.53  244.489  2836.48  346.146  2493.35  345.375  469.917   29.650  439.591   31.675 30.32681 43.38642 
1 1 1   -6    2    2 o  293.880   15.551  1088.72  113.718  1102.33  160.963  1075.15  160.681  294.312   22.062  290.580   22.314 3.732330 31.37883 
1 1 1   -6    2    3 o  318.274   16.388  1277.82  129.811  1269.28  183.618  1286.35  183.544  315.528   23.472  317.702   23.297 -2.174530 33.07106 
1 1 1   -6    2    4 o  167.538   11.531  353.474   47.949  472.118   68.288  238.091   67.342  193.367   14.242  135.799   20.496 57.56810 24.95868 
1 1 1   -6    2    5 o   65.754   11.850   55.859   18.742   56.092   26.611   55.630   26.400   65.491   16.328   65.223   16.265 0.2681580 23.04663 
1 1 1   -6    2    6 o  171.633   8.4365  368.595   36.159  370.250   51.130  366.940   51.143  171.414   12.021  170.634   12.080 0.7800598 17.04229 
1 1 1   -6    2    7 o  304.996   10.702  1165.41   81.506  1153.89  115.234  1176.94  115.301  302.572   15.301  305.991   15.089 -3.419098 21.48962 
1 1 1   -6    2    8 f  473.275   15.382  2815.24  181.798  2798.07  257.050  2832.42  257.154  470.247   21.890  473.160   21.764 -2.913544 30.86784 
1 1 1   -6    2    9 o  694.919   21.696  6101.11  376.497  6051.99  532.365  6150.25  532.528  687.935   30.989  693.627   30.744 -5.691223 43.65265 
1 1 1   -6    2   10 o  416.590   13.942  2176.00  145.035  2089.11  204.964  2263.14  205.258  407.260   20.154  424.022   19.385 -16.76187 27.96325 
1 1 1   -6    2   11 f  125.825   8.1022  198.732   25.322  187.485   35.671  210.158   35.954  121.808   11.878  129.099   11.265 -7.291580 16.37062 
1 1 1   -6    2   12 o  332.047   13.282  1380.43  110.131  1482.56  191.303  1329.80  134.688  342.516   22.491  325.227   16.640 17.28952 27.97739 
1 1 1   -6    2   13 o  184.257   9.8932  425.713   45.354  471.023   79.352  403.730   55.272  193.145   16.614  179.195   12.429 13.94986 20.74834 
1 1 1   -6    2   14 o  152.415   17.433  294.973   65.157   0.0000   0.0000  294.973   65.157  ?   ?   152.415   17.433 0.000000 17.43253 
1 1 1   -6    2   15 o  431.263   16.401  2330.20  176.629  2564.48  307.341  2214.66  215.831  450.222   27.468  420.022   20.577 30.19980 34.32081 
1 1 1   -6    2   16 o  660.628   42.357  5594.42  695.088  5594.42  695.088   0.0000   0.0000  660.628   42.357  ?   ?  0.000000 42.35714 
1 1 1   -6    2   17 f  1018.82   35.915 13177.53  913.736 12994.63  1582.94 13268.93  1118.99  992.158   64.235  1018.14   44.012 -25.98059 77.86607 
1 1 1   -6    2   18 o  969.600   32.216 11905.49  780.041 10202.91  1348.41 12761.85  956.298  879.390   61.795  1000.99   38.257 -121.5974 72.67924 
1 1 1   -6    2   19 f  282.510   15.297  1002.91  107.517  1118.87  153.378  890.887  150.758  297.681   20.763  265.095   23.001 32.58582 30.98659 
1 1 1   -6    2   20 o  439.269   30.026  2456.87  327.391  2456.87  327.391   0.0000   0.0000  439.269   30.026  ?   ?  0.000000 30.02595 
1 1 1   -6    2   21 o  573.493   25.936  4161.32  371.437  4297.44  526.344  4026.27  524.243  577.951   36.659  558.834   37.788 19.11749 52.64848 
1 1 1   -6    2   22 o  397.103   19.047  1985.58  188.879  2153.52  268.945  1822.13  265.323  411.189   26.330  377.486   28.354 33.70322 38.69395 
1 1 1   -6    2   23 o  282.598   15.703  1006.96  110.376  1010.91  158.045  1003.21  154.215  281.683   22.660  280.718   22.180 0.9647827 31.70833 
1 1 1   -6    2   24 o  802.477   35.998  8380.90  721.385  8615.70  1021.88  8147.65  1018.52  795.394   51.729  771.604   53.184 23.79041 74.19189 
1 1 1   -6    2   25 o  344.627   17.724  1504.50  152.016  1537.36  218.011  1473.41  212.078  345.793   25.425  338.548   25.268 7.244568 35.84556 
1 1 1   -6    2   26 o  239.877   20.485  736.537  121.530   0.0000   0.0000  736.537  121.530  ?   ?   239.877   20.485 0.000000 20.48458 
1 1 1   -6    2   27 o  222.905   14.395  629.033   79.699  651.851  118.107  609.956  107.993  225.142   21.259  218.077   20.055 7.065308 29.22598 
1 1 1   -6    2   28 o  108.651   14.752  151.654   38.990  115.808   64.245  172.553   49.057   93.364   26.386  115.406   17.578 -22.04210 31.70487 
1 1 1   -6    2   29 o  129.795   14.020  214.939   44.721  264.964   74.943  187.274   55.732  142.381   21.769  119.874   19.271 22.50719 29.07336 
1 1 1   -6    2   30 o  426.901   31.120  2408.07  329.473  2408.07  329.473   0.0000   0.0000  426.901   31.120  ?   ?  0.000000 31.12022 
1 1 1   -6    2   31 o  242.185   14.567  743.818   87.691  903.609  134.628  626.066  115.570  265.112   20.495  220.139   21.289 44.97269 29.55093 
1 1 1   -6    2   32 o  181.494   14.426  418.927   64.841  483.292  107.137  381.724   81.453  192.585   22.715  171.938   19.304 20.64713 29.80952 
1 1 1   -6    2   33 o  290.466   16.363  1074.49  118.204  1174.02  178.418  996.635  157.805  300.368   23.987  277.062   23.017 23.30521 33.24363 
1 1 1   -6    2   34 o  227.561   15.383  659.800   86.904  704.740  139.029  630.982  111.334  231.823   24.381  220.835   20.420 10.98875 31.80286 
1 1 1   -6    2   35 o   60.034   19.934   44.338   34.896   0.0000   0.0000   44.338   34.896  ?   ?    60.034   19.934 0.000000 19.93429 
1 1 1   -6    2   36 o  474.616   23.385  2947.81  277.162  2993.32  403.116  2907.02  381.694  464.323   35.024  459.520   33.494 4.803711 48.46144 
1 1 1   -6    2   37 o  164.363   15.777  349.079   63.962  362.573  123.408  344.123   74.792  159.811   32.039  162.041   18.835 -2.230057 37.16490 
1 1 1   -6    2   38 o  146.861   16.604  281.891   59.824  219.475  126.417  299.902   67.909  120.405   37.773  150.785   18.418 -30.38034 42.02399 
1 1 1   -6    2   39 o  170.336   33.233  432.144  136.286  432.144  136.286   0.0000   0.0000  170.336   33.233  ?   ?  0.000000 33.23336 
1 1 1   -6    2   40 o  247.257   16.773  805.842  102.955  903.718  177.994  756.632  126.210  249.397   29.129  235.447   21.711 13.94987 36.32957 
1 1 1   -6    2   41 o  123.536   16.886  205.016   50.729  234.083  131.202  199.907   55.007  116.724   38.648  120.971   18.821 -4.247284 42.98713 
1 1 1   -6    2   42 f   97.592   17.891  131.046   41.995  219.109  137.268  121.952   44.110  110.592   39.417   93.269   19.563 17.32247 44.00491 
1 1 1   -6    2   43 o   95.796   19.472  129.586   44.994   0.0000   0.0000  129.586   44.994  ?   ?    95.796   19.472 0.000000 19.47212 
1 1 1   -6    2   44 o  158.489   17.253  344.992   67.182  419.133  177.651  332.619   72.571  137.434   44.946  153.895   19.309 -16.46046 48.91838 
1 1 1   -6    2   45 o  139.215   17.637  271.354   59.941  366.681  183.643  259.987   63.414  119.474   45.085  134.770   19.402 -15.29616 49.08265 
1 1 1   -6    3    1 o  485.209   15.743  2961.39  190.749  2906.44  269.677  3016.40  269.842  478.830   22.553  487.935   22.146 -9.105591 31.60861 
1 1 1   -6    3    2 o  485.556   17.708  2971.22  214.715  2808.42  371.347  3052.98  263.166  466.168   32.095  491.129   21.458 -24.96118 38.60754 
1 1 1   -6    3    3 o  185.004   10.076  429.901   46.373  356.293   79.940  467.234   56.932  166.877   19.554  192.677   11.891 -25.79991 22.88526 
1 1 1   -6    3    4 o  383.632   13.019  1846.93  124.724  1830.40  176.327  1863.48  176.445  380.923   18.537  384.383   18.382 -3.460052 26.10570 
1 1 1   -6    3    5 o  429.283   14.268  2315.08  152.949  2361.82  216.393  2268.43  216.214  432.312   20.044  423.577   20.441 8.734985 28.62886 
1 1 1   -6    3    6 o  122.050   7.9037  187.119   23.960  194.891   33.875  179.339   33.893  124.224   11.035  119.056   11.545 5.167572 15.97060 
1 1 1   -6    3    7 o  407.412   13.526  2083.53  137.609  2068.16  194.544  2098.91  194.674  404.808   19.245  407.835   19.115 -3.027161 27.12471 
1 1 1   -6    3    8 o  215.319   9.2373  580.236   49.668  581.926   70.212  578.544   70.270  214.979   13.142  214.344   13.192 0.6342316 18.62116 
1 1 1   -6    3    9 o  366.841   12.669  1686.96  116.057  1657.84  164.059  1716.14  164.200  362.909   18.103  369.284   17.806 -6.375427 25.39224 
1 1 1   -6    3   10 o  670.694   20.912  5669.05  350.243  5538.82  495.140  5799.47  495.497  659.698   30.056  675.325   29.382 -15.62744 42.03158 
1 1 1   -6    3   11 o   92.880   8.0737  108.654   18.540  102.775   26.115  114.628   26.325   89.827   11.938   95.037   11.315 -5.209816 16.44771 
1 1 1   -6    3   12 o  108.090   8.1217  146.853   21.762  131.348   30.670  162.575   30.883  101.705   12.328  113.466   11.039 -11.76102 16.54800 
1 1 1   -6    3   13 o  446.311   17.013  2497.35  189.611  2275.99  328.284  2608.16  232.271  422.901   31.308  455.695   20.411 -32.79431 37.37408 
1 1 1   -6    3   14 o  249.260   14.312  780.409   88.709   0.0000   0.0000  780.409   88.709  ?   ?   249.260   14.312 0.000000 14.31160 
1 1 1   -6    3   15 f  839.688   53.363  9155.28  1113.13   0.0000   0.0000  9155.28  1113.13  ?   ?   839.688   53.363 0.000000 53.36272 
1 1 1   -6    3   16 o  591.508   21.652  4394.40  319.817  4368.08  554.352  4407.52  391.548  584.956   38.159  591.526   26.507 -6.569275 46.46216 
1 1 1   -6    3   17 o  243.258   11.724  740.147   71.217  699.039  124.223  760.273   86.919  234.969   21.406  246.034   14.208 -11.06497 25.69167 
1 1 1   -6    3   18 o  451.604   17.107  2556.45  192.923  2751.41  335.629  2460.26  235.764  465.935   28.989  442.545   21.334 23.39044 35.99335 
1 1 1   -6    3   19 o  871.389   30.383  9607.58  661.135  8777.78  1144.42 10023.24  809.971  818.174   56.357  887.425   36.550 -69.25153 67.17112 
1 1 1   -6    3   20 o  303.009   13.114  1149.59   99.231  1153.97  174.030  1147.47  120.790  301.814   23.270  302.098   16.069 -0.2839966 28.27933 
1 1 1   -6    3   21 o  302.956   15.907  1154.57  119.922  1224.84  171.937  1088.01  167.347  310.977   22.289  292.847   23.071 18.13013 32.07847 
1 1 1   -6    3   22 o  158.871   13.229  318.529   52.005  285.714   75.892  347.578   71.405  149.134   20.957  165.372   17.559 -16.23792 27.34072 
1 1 1   -6    3   23 o  331.714   17.395  1388.41  143.590  1310.31  204.437  1464.44  201.723  320.208   25.785  339.135   23.974 -18.92728 35.20847 
1 1 1   -6    3   24 o  292.514   16.081  1080.02  117.013  1075.44  167.559  1084.37  163.479  290.179   23.320  291.576   22.630 -1.397003 32.49511 
1 1 1   -6    3   25 o  240.370   14.635  729.602   87.429  740.935  126.588  719.267  120.895  240.753   21.275  237.352   20.601 3.400452 29.61453 
1 1 1   -6    3   26 o  155.133   13.544  305.015   51.943  319.400   80.260  294.648   68.136  157.211   20.967  151.501   18.387 5.710144 27.88682 
1 1 1   -6    3   27 o  242.794   20.734  755.629  124.507   0.0000   0.0000  755.629  124.507  ?   ?   242.794   20.734 0.000000 20.73420 
1 1 1   -6    3   28 o  295.822   16.396  1110.31  120.644  1115.81  174.584  1105.28  166.907  293.924   23.995  292.918   23.003 1.006653 33.24014 
1 1 1   -6    3   29 o  136.917   14.087  238.880   47.476  233.107   75.579  242.642   61.018  132.904   23.639  137.080   18.281 -4.175705 29.88269 
1 1 1   -6    3   30 o  272.225   15.968  941.077  108.074  927.178  158.590  953.128  147.673  267.409   24.005  271.975   21.929 -4.566742 32.51366 
1 1 1   -6    3   31 o  312.167   25.613  1268.55  197.907  1268.55  197.907   0.0000   0.0000  312.167   25.613  ?   ?  0.000000 25.61346 
1 1 1   -6    3   32 o  351.445   17.840  1574.37  156.054  1744.79  228.324  1424.97  213.779  366.434   25.103  330.460   26.119 35.97388 36.22649 
1 1 1   -6    3   33 o  327.608   18.247  1371.18  148.688  1291.86  218.302  1439.83  203.077  313.074   28.226  332.692   24.618 -19.61740 37.45397 
1 1 1   -6    3   34 o  364.723   19.065  1704.29  173.036  1746.28  254.588  1668.24  235.899  363.769   28.248  356.534   26.689 7.235626 38.86180 
1 1 1   -6    3   35 o  120.602   16.121  188.033   47.335  228.633   96.157  175.047   54.381  128.783   30.390  115.373   19.575 13.41087 36.14861 
1 1 1   -6    3   36 o  284.278   22.972  1058.18  161.686   0.0000   0.0000  1058.18  161.686  ?   ?   284.278   22.972 0.000000 22.97238 
1 1 1   -6    3   37 o  223.624   15.411  641.533   85.532  810.225  148.438  557.684  104.652  246.730   24.412  206.255   20.594 40.47513 31.93847 
1 1 1   -6    3   38 o  298.319   23.985  1191.56  177.169   0.0000   0.0000  1191.56  177.169  ?   ?   298.319   23.985 0.000000 23.98514 
1 1 1   -6    3   39 o  127.230   16.400  212.764   50.892  252.387  116.382  203.396   56.589  128.960   35.169  123.338   18.982 5.621429 39.96430 
1 1 1   -6    3   40 o  165.654   35.073  422.470  140.568  422.470  140.568   0.0000   0.0000  165.654   35.073  ?   ?  0.000000 35.07323 
1 1 1   -6    3   41 o   88.218   18.800  107.256   40.150  108.647  118.482  107.076   42.675   89.913   35.580   87.703   19.937 2.209984 40.78491 
1 1 1   -6    3   42 o   65.778   19.232   59.950   33.585  113.076  125.324   55.840   34.860   89.961   36.257   63.795   19.806 26.16585 41.31399 
1 1 1   -6    3   43 f  140.676   16.698  267.004   57.513  393.901  153.230  246.195   62.049  146.827   40.484  133.496   19.163 13.33188 44.78999 
1 1 1   -6    3   44 o  224.133   21.648  714.071  119.658   0.0000   0.0000  714.071  119.658  ?   ?   224.133   21.648 0.000000 21.64844 
1 1 1   -6    3   45 o   89.061   19.262  114.171   41.592  105.415  166.817  114.752   42.948   85.274   38.150   88.953   19.839 -3.678993 43.00049 
1 1 1   -6    4    1 o  315.307   11.425  1246.30   89.960  1211.05  127.164  1281.62  127.280  309.719   16.501  318.734   16.043 -9.015228 23.01423 
1 1 1   -6    4    2 o  140.623   8.1210  248.227   28.397  253.577   40.151  242.873   40.167  141.771   11.439  138.691   11.707 3.079605 16.36747 
1 1 1   -6    4    3 o  206.665   9.0608  534.616   46.761  509.193   66.053  560.157   66.207  200.979   13.235  210.924   12.628 -9.945435 18.29298 
1 1 1   -6    4    4 o  128.950   7.9438  208.799   25.455  204.359   35.876  213.302   36.124  127.176   11.418  129.974   11.241 -2.797836 16.02261 
1 1 1   -6    4    5 o  189.840   8.7392  451.016   41.429  448.859   58.587  453.174   58.593  188.751   12.500  189.669   12.440 -0.9181061 17.63542 
1 1 1   -6    4    6 o  202.824   9.0219  514.877   45.695  520.758   64.611  508.991   64.634  203.338   12.790  200.997   12.946 2.341309 18.19823 
1 1 1   -6    4    7 o  338.089   11.980  1433.01  101.144  1429.52  143.005  1436.50  143.074  336.553   17.072  337.383   17.037 -0.8303223 24.11839 
1 1 1   -6    4    8 o  251.091   9.8091  789.206   61.505  786.734   86.940  791.683   87.023  249.985   13.983  250.776   13.951 -0.7911987 19.75264 
1 1 1   -6    4    9 o  373.826   12.814  1751.68  119.624  1729.51  169.113  1773.88  169.235  370.709   18.268  375.470   18.049 -4.761017 25.68091 
1 1 1   -6    4   10 o  658.969   20.594  5469.52  338.883  5411.70  479.141  5527.39  479.364  652.533   29.404  659.589   29.103 -7.056152 41.37160 
1 1 1   -6    4   11 o  128.332   8.1074  206.691   25.848  211.707   36.533  201.664   36.577  129.566   11.408  126.396   11.722 3.170044 16.35650 
1 1 1   -6    4   12 o  686.559   21.358  5927.06  366.175  5800.80  517.667  6053.49  518.033  676.699   30.634  691.484   30.000 -14.78473 42.87728 
1 1 1   -6    4   13 o  443.100   14.529  2458.79  160.769  2407.88  227.253  2509.80  227.472  437.807   20.786  447.029   20.377 -9.222382 29.10828 
1 1 1   -6    4   14 o  302.771   15.834  1151.49  119.303   0.0000   0.0000  1151.49  119.303  ?   ?   302.771   15.834 0.000000 15.83428 
1 1 1   -6    4   16 o  717.748   31.442  6511.95  563.553  6910.85  798.066  6115.21  795.908  734.012   43.738  689.109   46.524 44.90289 63.85515 
1 1 1   -6    4   17 o  481.392   17.609  2904.87  211.680  3282.17  368.130  2718.50  258.732  509.177   29.073  465.146   22.275 44.03076 36.62495 
1 1 1   -6    4   18 o  304.482   13.080  1160.18   99.456  1204.19  173.628  1138.69  121.335  308.689   22.683  301.036   16.200 7.652802 27.87403 
1 1 1   -6    4   19 o  218.183   10.703  595.344   58.315  660.060  103.618  565.343   70.548  228.658   18.300  212.099   13.389 16.55887 22.67467 
1 1 1   -6    4   20 o  679.055   24.346  5811.05  412.850  5266.51  714.995  6083.42  505.665  637.869   45.179  693.385   29.204 -55.51593 53.79617 
1 1 1   -6    4   21 f  242.247   11.684  734.528   70.680  757.386  125.117  723.815   85.656  244.491   20.687  239.897   14.364 4.594025 25.18495 
1 1 1   -6    4   22 o  179.167   13.532  404.628   60.098  330.541   88.177  468.897   82.127  160.307   22.658  192.422   17.276 -32.11526 28.49288 
1 1 1   -6    4   23 o  149.162   10.796  280.052   39.942  200.489   73.360  313.574   47.618  123.688   24.617  157.718   12.185 -34.02993 27.46735 
1 1 1   -6    4   24 o  105.721   11.208  141.623   29.138   97.065   57.297  157.166   33.841   86.466   25.074  111.266   12.390 -24.79996 27.96778 
1 1 1   -6    4   25 o  239.787   11.883  721.392   71.157  668.729  127.218  745.369   85.841  228.377   22.604  243.082   14.203 -14.70560 26.69591 
1 1 1   -6    4   26 o  218.792   14.207  604.936   77.204  625.916  112.878  586.494  105.829  221.120   20.683  214.152   20.022 6.967377 28.78599 
1 1 1   -6    4   27 o  239.470   20.633  734.526  122.179   0.0000   0.0000  734.526  122.179  ?   ?   239.470   20.633 0.000000 20.63277 
1 1 1   -6    4   28 o  433.026   20.584  2388.49  222.580  2558.31  319.195  2227.75  310.534  443.028   29.012  412.473   30.362 30.55536 41.99459 
1 1 1   -6    4   29 o  561.355   26.147  4069.82  366.527  4102.00  521.122  4038.32  515.618  552.434   38.007  548.228   37.896 4.205872 53.67108 
1 1 1   -6    4   30 o  146.813   14.010  274.288   50.740  299.282   81.393  258.401   64.892  151.403   22.186  141.371   18.851 10.03218 29.11350 
1 1 1   -6    4   31 o  280.454   15.537  997.869  108.391  1146.77  160.934  874.252  146.637  298.523   21.738  260.051   22.811 38.47214 31.50983 
1 1 1   -6    4   32 o  154.567   24.534  315.116   91.531  315.116   91.531   0.0000   0.0000  154.567   24.534  ?   ?  0.000000 24.53355 
1 1 1   -6    4   33 o  243.599   15.197  753.771   91.984  858.360  141.560  677.339  121.012  257.608   22.223  228.926   21.417 28.68188 30.86343 
1 1 1   -6    4   34 o  325.614   18.277  1355.32  148.010  1276.39  218.006  1422.82  201.593  310.920   28.391  330.589   24.596 -19.66891 37.56345 
1 1 1   -6    4   35 o  184.610   14.894  434.568   68.080  513.751  115.494  392.403   84.279  197.821   23.861  173.977   19.749 23.84447 30.97372 
1 1 1   -6    4   36 o  144.126   16.340  267.782   57.771  173.365  106.228  307.434   68.841  112.053   34.540  153.983   18.259 -41.92959 39.06886 
1 1 1   -6    4   37 o  188.068   19.402  460.760   89.812   0.0000   0.0000  460.760   89.812  ?   ?   188.068   19.402 0.000000 19.40235 
1 1 1   -6    4   38 o  279.068   28.325  1063.83  194.654  1063.83  194.654   0.0000   0.0000  279.068   28.325  ?   ?  0.000000 28.32459 
1 1 1   -6    4   39 o  350.184   18.868  1605.48  164.388  1753.39  251.391  1494.98  217.282  355.701   28.542  330.528   26.549 25.17316 38.98069 
1 1 1   -6    4   40 f   99.905   18.190  134.476   43.709   98.154  111.705  141.043   47.496   89.201   34.773  101.914   19.371 -12.71328 39.80401 
1 1 1   -6    4   41 o  144.527   36.667  335.368  132.545  335.368  132.545   0.0000   0.0000  144.527   36.667  ?   ?  0.000000 36.66702 
1 1 1   -6    4   42 o  119.674   17.129  192.812   49.730  298.885  132.177  175.322   53.673  132.936   37.944  112.698   19.794 20.23827 42.79676 
1 1 1   -6    4   43 o   83.371   19.123   97.350   38.966  148.213  133.583   92.619   40.738   96.426   37.899   80.879   20.224 15.54690 42.95736 
1 1 1   -6    4   44 o  146.132   17.036  289.839   61.001  361.236  159.511  277.609   66.019  135.691   42.407  141.527   19.174 -5.836319 46.54058 
1 1 1   -6    4   45 f   92.261   18.963  120.979   42.230  321.582  173.626  108.365   43.538  119.682   44.097   86.374   20.494 33.30730 48.62689 
1 1 1   -6    5    1 o  356.619   12.439  1595.14  110.774  1605.12  156.678  1585.16  156.640  356.929   17.578  354.683   17.685 2.245453 24.93514 
1 1 1   -6    5    2 o  254.686   10.021  812.317   63.735  795.623   90.079  829.053   90.192  251.249   14.418  256.536   14.133 -5.286621 20.18952 
1 1 1   -6    5    3 o   97.656   7.9168  120.078   19.140  111.813   26.962  128.475   27.176   93.710   11.782  100.665   10.989 -6.955185 16.11166 
1 1 1   -6    5    4 o  586.771   18.342  4341.68  268.760  4134.01  379.754  4550.07  380.414  569.433   26.706  597.957   25.476 -28.52405 36.90869 
1 1 1   -6    5    5 o  153.742   8.3181  296.579   31.816  286.821   45.004  306.331   44.987  150.770   12.054  155.898   11.639 -5.128311 16.75644 
1 1 1   -6    5    6 o  608.529   19.164  4671.66  291.213  4707.82  411.869  4635.50  411.806  607.748   27.138  602.966   27.350 4.782227 38.52911 
1 1 1   -6    5    7 o  397.192   13.393  1979.31  132.839  1938.65  187.777  2020.05  187.950  392.102   19.177  400.325   18.801 -8.223145 26.85613 
1 1 1   -6    5    8 o  483.503   15.743  2936.95  190.083  2936.00  268.798  2937.91  268.837  481.927   22.335  482.085   22.331 -0.1578369 31.58417 
1 1 1   -6    5    9 o  124.039   8.0692  193.195   24.858  198.992   35.041  187.321   35.270  125.561   11.296  121.738   11.748 3.822975 16.29790 
1 1 1   -6    5   10 o  333.080   11.793  1388.99   98.091  1429.13  138.766  1348.92  138.678  337.422   16.469  327.323   17.025 10.10001 23.68672 
1 1 1   -6    5   11 o  421.768   14.044  2228.55  147.915  2191.89  209.087  2265.28  209.281  417.559   20.052  424.536   19.741 -6.977295 28.13860 
1 1 1   -6    5   12 o  361.400   12.563  1634.71  113.379  1606.07  160.283  1663.40  160.402  357.319   18.021  364.132   17.640 -6.813354 25.21771 
1 1 1   -6    5   13 o  345.599   12.164  1494.39  104.980  1492.65  148.429  1496.13  148.499  345.040   17.227  345.443   17.215 -0.4028015 24.35356 
1 1 1   -6    5   14 o  723.513   22.385  6579.04  404.434  6509.84  571.826  6648.31  572.087  717.277   31.925  724.962   31.601 -7.685120 44.91980 
1 1 1   -6    5   15 o  826.377   24.575  8591.89  507.131  8961.07  717.825  8224.02  716.559  840.963   34.182  805.124   35.640 35.83856 49.38210 
1 1 1   -6    5   16 o  251.329   20.687  798.187  128.679   0.0000   0.0000  798.187  128.679  ?   ?   251.329   20.687 0.000000 20.68658 
1 1 1   -6    5   17 o  716.585   25.413  6463.85  454.747  6913.07  789.001  6240.39  556.472  734.277   43.220  702.503   31.721 31.77386 53.61152 
1 1 1   -6    5   18 o  459.987   17.516  2652.51  201.204  2745.28  349.564  2606.55  246.048  465.166   30.258  455.504   21.631 9.662201 37.19450 
1 1 1   -6    5   19 o  428.996   16.462  2306.60  176.354  2257.81  306.451  2330.76  215.639  421.737   29.280  430.845   20.043 -9.107666 35.48264 
1 1 1   -6    5   20 o  376.291   15.214  1774.26  142.963  1689.09  248.798  1816.24  174.681  364.678   27.523  380.406   18.389 -15.72729 33.10077 
1 1 1   -6    5   21 o  218.028   11.460  596.539   62.175  575.955  110.254  606.137   75.289  212.939   21.008  219.533   13.804 -6.593674 25.13721 
1 1 1   -6    5   22 o  347.395   14.570  1513.41  126.399  1338.66  220.216  1599.26  154.357  323.821   27.493  356.792   17.325 -32.97110 32.49601 
1 1 1   -6    5   23 o  238.511   14.741  716.679   87.370  634.696  126.189  792.168  121.088  222.912   23.000  249.996   19.552 -27.08350 30.18718 
1 1 1   -6    5   24 o  108.042   10.748  147.655   28.613  184.989   57.091  135.132   33.065  119.525   19.822  102.957   13.162 16.56828 23.79378 
1 1 1   -6    5   25 o  355.751   14.655  1591.41  130.189  1069.13  226.775  1848.17  159.002  286.109   32.306  382.990   16.625 -96.88132 36.33303 
1 1 1   -6    5   26 o  223.430   10.835  626.094   60.452  795.013  111.296  555.403   71.998  250.189   17.933  209.701   13.827 40.48869 22.64423 
1 1 1   -6    5   27 o  506.933   19.328  3259.87  244.669  3198.10  426.749  3290.12  298.623  492.375   34.934  507.341   23.571 -14.96597 42.14254 
1 1 1   -6    5   28 o  308.808   23.712  1228.31  181.460   0.0000   0.0000  1228.31  181.460  ?   ?   308.808   23.712 0.000000 23.71211 
1 1 1   -6    5   29 o  507.287   23.782  3302.35  301.266  3397.75  429.566  3210.00  422.628  506.389   34.170  491.759   34.637 14.63019 48.65481 
1 1 1   -6    5   30 f  251.296   15.004  800.325   93.725  881.166  138.633  732.271  127.198  261.789   21.393  238.431   21.598 23.35796 30.39945 
1 1 1   -6    5   31 o  316.569   17.201  1274.53  135.465  1295.04  197.320  1256.23  186.308  315.852   25.228  311.558   24.135 4.294128 34.91296 
1 1 1   -6    5   32 o  400.260   20.293  2050.39  202.174  2012.13  290.957  2086.11  281.132  390.899   30.036  399.147   28.390 -8.247894 41.33019 
1 1 1   -6    5   33 o   87.163   28.868   95.934   73.197   95.934   73.197   0.0000   0.0000   87.163   28.868  ?   ?  0.000000 28.86765 
1 1 1   -6    5   34 o  486.302   22.455  3042.57  272.687  3381.22  393.007  2728.19  378.667  504.859   31.328  451.093   33.863 53.76608 46.13142 
1 1 1   -6    5   35 o  178.757   15.205  407.721   67.231  433.303  112.914  393.671   83.681  180.896   25.720  174.416   19.549 6.480011 32.30624 
1 1 1   -6    5   36 o  375.542   19.095  1811.33  178.486  1977.27  264.762  1673.10  241.652  386.673   27.601  355.686   27.418 30.98694 38.90441 
1 1 1   -6    5   37 f  156.739   19.215  320.392   73.634   0.0000   0.0000  320.392   73.634  ?   ?   156.739   19.215 0.000000 19.21511 
1 1 1   -6    5   38 o   52.827   19.610   28.891   34.457   0.0000   0.0000   28.891   34.457  ?   ?    52.827   19.610 0.000000 19.60975 
1 1 1   -6    5   39 o  315.884   18.057  1298.18  141.847  1379.01  219.738  1240.43  185.728  316.842   28.063  303.501   24.720 13.34070 37.39801 
1 1 1   -6    5   40 f  273.428   17.518  978.118  118.985  987.591  191.949  972.206  151.632  264.036   29.623  268.393   22.841 -4.357178 37.40638 
1 1 1   -6    5   41 o   92.816   18.453  117.213   41.264  151.847  114.580  112.051   44.232  100.696   36.000   90.080   20.166 10.61657 41.26321 
1 1 1   -6    5   42 o   93.952   36.301  127.391  120.908  127.391  120.908   0.0000   0.0000   93.952   36.301  ?   ?  0.000000 36.30116 
1 1 1   -6    5   43 o   57.910   19.177   44.228   32.302  170.404  127.995   35.646   33.382  101.790   37.793   54.177   19.425 47.61333 42.49256 
1 1 1   -6    5   44 o  157.220   17.924  336.194   69.113  179.305  158.362  373.106   76.814  101.295   40.780  164.897   19.002 -63.60219 44.99024 
1 1 1   -6    5   45 o  166.383   18.215  380.982   74.445  220.962  174.096  416.788   82.354  104.497   42.512  173.055   19.390 -68.55788 46.72480 
1 1 1   -6    5   46 o  157.965   18.194  347.931   70.457  285.021  189.064  358.077   75.926  108.632   44.260  159.057   19.526 -50.42566 48.37523 
1 1 1   -6    6    1 o  184.571   8.6743  426.192   39.981  457.296   56.557  395.122   56.525  190.650   11.940  177.044   12.873 13.60535 17.55793 
1 1 1   -6    6    2 o  550.431   17.548  3814.43  241.208  3933.65  341.246  3695.39  340.995  556.772   24.544  539.370   25.317 17.40173 35.26095 
1 1 1   -6    6    3 o  104.586   8.0309  137.619   20.814  132.071   29.333  143.245   29.539  101.990   11.731  106.330   11.298 -4.340179 16.28678 
1 1 1   -6    6    4 o  689.409   21.454  6009.32  369.345  5908.47  522.192  6110.27  522.474  679.126   30.791  690.914   30.282 -11.78760 43.18714 
1 1 1   -6    6    5 o  305.269   11.167  1167.45   85.127  1118.85  120.246  1216.29  120.531  297.863   16.227  311.106   15.515 -13.24326 22.45049 
1 1 1   -6    6    6 o  383.534   13.133  1844.85  125.786  1836.91  177.854  1852.80  177.923  381.846   18.652  383.507   18.578 -1.660858 26.32590 
1 1 1   -6    6    7 o  114.407   8.0269  164.486   22.787  174.949   32.288  154.103   32.165  117.674   11.120  110.274   11.867 7.399185 16.26265 
1 1 1   -6    6    8 o   79.090   8.2458   79.069   16.046   70.019   22.648   88.191   22.738   73.705   12.767   83.178   11.235 -9.472557 17.00656 
1 1 1   -6    6    9 o  281.675   10.468  992.859   73.632  947.876  103.966  1038.13  104.298  274.462   15.229  287.359   14.582 -12.89697 21.08461 
1 1 1   -6    6   10 o  351.840   12.236  1549.85  107.510  1532.42  151.976  1567.31  152.110  349.370   17.420  353.346   17.239 -3.975891 24.50752 
1 1 1   -6    6   11 o  187.368   8.8357  438.894   41.341  422.491   58.367  455.409   58.564  183.259   12.835  190.344   12.388 -7.084793 17.83858 
1 1 1   -6    6   12 o  195.596   8.7865  478.226   42.917  452.526   60.517  504.227   60.871  189.712   12.850  200.365   12.224 -10.65297 17.73560 
1 1 1   -6    6   13 o  627.624   27.969  4971.19  438.353   0.0000   0.0000  4971.19  438.353  ?   ?   627.624   27.969 0.000000 27.96881 
1 1 1   -6    6   14 o  697.436   24.613  6121.18  428.661  5770.70  524.453  6826.56  744.021  675.607   31.086  730.426   40.956 -54.81934 51.41681 
1 1 1   -6    6   15 o  477.161   15.295  2851.24  182.255  2871.01  257.789  2831.47  257.706  478.115   21.591  474.792   21.736 3.322754 30.63699 
1 1 1   -6    6   16 o  698.936   30.617  6170.99  534.378  5831.41  754.588  6512.62  756.867  673.487   45.128  712.943   42.709 -39.45691 62.13388 
1 1 1   -6    6   17 o  290.293   22.386  1065.03  161.027   0.0000   0.0000  1065.03  161.027  ?   ?   290.293   22.386 0.000000 22.38602 
1 1 1   -6    6   18 o  539.984   19.529  3658.89  263.331  4011.42  457.643  3484.40  321.973  561.955   32.754  526.199   24.503 35.75592 40.90483 
1 1 1   -6    6   19 o  579.572   21.306  4220.63  308.368  4234.54  534.884  4213.70  377.400  575.623   37.414  578.178   26.139 -2.554688 45.64051 
1 1 1   -6    6   20 o  415.899   15.599  2167.76  162.005  2435.52  282.552  2036.63  197.735  438.666   25.909  402.684   19.664 35.98264 32.52581 
1 1 1   -6    6   21 o  296.435   13.227  1100.52   97.913  896.540  170.856  1200.27  119.478  265.152   26.144  309.405   15.464 -44.25290 30.37494 
1 1 1   -6    6   22 o  383.590   15.389  1845.97  147.410  1852.43  257.113  1842.80  179.915  381.426   27.171  382.810   18.821 -1.383698 33.05292 
1 1 1   -6    6   23 o  392.578   19.588  1941.62  192.029  1674.54  272.778  2204.02  270.377  361.083   30.538  416.035   26.158 -54.95178 40.20973 
1 1 1   -6    6   24 f  175.163   12.002  386.388   52.181  519.662   80.296  288.957   68.655  202.683   15.994  150.286   18.698 52.39719 24.60557 
1 1 1   -6    6   25 o  544.823   20.386  3755.59  277.363  3275.87  481.237  3994.21  339.407  498.947   38.932  560.337   24.256 -61.38986 45.86987 
1 1 1   -6    6   26 o  230.228   11.151  664.859   64.110  789.903  116.788  610.928   76.699  249.192   18.909  219.962   14.037 29.22942 23.54922 
1 1 1   -6    6   27 o  144.542   11.076  263.707   39.675  194.268   76.236  289.498   46.462  120.850   26.031  151.287   12.408 -30.43720 28.83650 
1 1 1   -6    6   28 o  216.923   11.376  592.577   61.406  638.625  112.965  573.263   73.159  223.153   20.501  212.912   13.835 10.24139 24.73241 
1 1 1   -6    6   29 o  222.615   20.190  635.735  111.019   0.0000   0.0000  635.735  111.019  ?   ?   222.615   20.190 0.000000 20.19025 
1 1 1   -6    6   30 o  207.686   10.801  543.162   55.826  744.058  109.427  472.475   64.909  241.435   18.286  193.176   13.541 48.25851 22.75352 
1 1 1   -6    6   31 o  419.906   16.948  2234.53  177.718  2079.50  313.059  2308.25  215.875  396.648   31.875  425.404   20.321 -28.75607 37.80184 
1 1 1   -6    6   32 o  176.217   11.163  391.845   48.870  428.868   99.806  380.170   56.049  181.616   22.487  173.224   13.053 8.391968 26.00113 
1 1 1   -6    6   33 o  196.400   11.679  486.961   57.023  484.394  114.409  487.809   65.774  192.436   24.353  196.211   13.506 -3.775314 27.84777 
1 1 1   -6    6   34 o  427.723   18.200  2328.66  194.398  3006.71  287.145  1754.94  264.135  482.751   23.819  364.870   29.235 117.8802 37.70980 
1 1 1   -6    6   35 o   99.623   12.709  127.130   30.896   38.317   86.056  140.271   33.103   74.400   30.024  104.678   12.939 -30.27725 32.69311 
1 1 1   -6    6   36 o  207.378   16.010  549.479   82.268  502.935  134.356  577.397  104.055  193.591   28.658  211.314   19.955 -17.72263 34.92117 
1 1 1   -6    6   37 o  384.378   19.779  1905.90  189.209  2022.88  279.919  1807.50  256.744  388.983   29.026  368.339   28.125 20.64435 40.41721 
1 1 1   -6    6   38 o  101.498   18.042  136.126   44.054  200.885  103.143  121.676   48.721  118.825   33.381   95.038   21.081 23.78691 39.48007 
1 1 1   -6    6   39 o  224.708   20.749  665.502  115.113   0.0000   0.0000  665.502  115.113  ?   ?   224.708   20.749 0.000000 20.74852 
1 1 1   -6    6   40 o  347.406   18.731  1581.76  161.900  1773.97  250.147  1443.21  212.382  357.507   28.250  324.312   26.455 33.19485 38.70269 
1 1 1   -6    6   41 o   24.151   11.683 -34.0391   21.538 -106.6619  103.537 -30.7544   22.019   55.745   26.611   25.219   12.101 30.52642 29.23319 
1 1 1   -6    6   42 o  153.691   16.095  311.947   60.857  450.172  136.920  277.917   67.936  171.635   33.146  143.187   19.507 28.44740 38.46013 
1 1 1   -6    6   43 o  115.760   39.494  231.441  136.937  231.441  136.937   0.0000   0.0000  115.760   39.494  ?   ?  0.000000 39.49371 
1 1 1   -6    6   44 o  167.019   16.396  372.860   67.504  625.498  163.719  321.113   74.095  197.401   34.466  152.564   19.924 44.83717 39.81099 
1 1 1   -6    6   45 o  206.785   17.266  578.845   88.340  737.834  190.845  535.489   99.660  205.664   38.577  195.590   20.720 10.07378 43.78909 
1 1 1   -6    6   46 o  161.807   18.494  363.855   73.385  201.408  180.468  396.037   80.326   99.369   42.075  167.932   19.519 -68.56317 46.38145 
1 1 1   -6    7    1 o  105.380   8.0234  139.653   20.955  153.729   29.517  125.351   29.754  110.289   10.858   99.288   12.261 11.00037 16.37773 
1 1 1   -6    7    2 o  319.524   11.497  1278.62   91.738  1280.82  129.730  1276.43  129.745  318.896   16.346  318.342   16.376 0.5538330 23.13802 
1 1 1   -6    7    3 o  358.492   12.404  1610.45  111.039  1600.66  156.967  1620.25  157.099  356.749   17.620  358.939   17.527 -2.189972 24.85233 
1 1 1   -6    7    4 o  346.469   12.196  1504.11  105.516  1522.71  149.242  1485.52  149.204  348.004   17.173  343.254   17.464 4.750824 24.49332 
1 1 1   -6    7    5 o  225.351   9.4019  635.381   52.909  641.187   74.776  629.560   74.872  225.755   13.323  223.674   13.467 2.081345 18.94399 
1 1 1   -6    7    6 o  214.177   9.2711  573.864   49.585  552.299   69.996  595.587   70.254  209.463   13.453  217.607   12.988 -8.143326 18.69923 
1 1 1   -6    7    7 o  392.868   13.099  1934.23  128.505  1859.35  181.594  2009.34  181.873  384.425   18.916  399.740   18.220 -15.31470 26.26379 
1 1 1   -6    7    8 o  367.573   12.711  1692.41  116.670  1691.47  164.963  1693.35  165.030  366.877   18.006  367.082   18.003 -0.2041016 25.46225 
1 1 1   -6    7    9 o  243.559   9.6602  741.944   58.755  707.535   83.001  776.503   83.183  237.205   14.075  248.609   13.449 -11.40378 19.46750 
1 1 1   -6    7   10 f  401.168   13.489  2015.54  135.131  2033.91  191.164  1997.20  191.043  402.390   19.024  398.721   19.187 3.668518 27.01988 
1 1 1   -6    7   11 o  512.827   16.483  3297.40  211.083  3226.06  298.398  3368.84  298.635  506.145   23.609  517.315   23.117 -11.16998 33.04192 
1 1 1   -6    7   12 o  203.154   10.670  517.572   53.943  467.327   93.693  542.485   65.975  191.918   19.836  207.809   12.775 -15.89075 23.59382 
1 1 1   -6    7   13 o  648.362   28.779  5307.19  465.955  5307.19  465.955   0.0000   0.0000  648.362   28.779  ?   ?  0.000000 28.77904 
1 1 1   -6    7   14 o  209.073   9.2592  546.382   48.342  534.592   68.155  558.319   68.578  206.258   13.303  210.824   13.091 -4.566696 18.66400 
1 1 1   -6    7   15 o  558.541   17.761  3910.67  247.726  3966.33  350.394  3855.06  350.280  561.414   24.993  553.421   25.346 7.992004 35.59607 
1 1 1   -6    7   16 o  889.245   38.086 10052.74  845.750  9107.93  1193.98 11004.20  1198.18  835.161   57.602  921.820   52.265 -86.65912 77.77966 
1 1 1   -6    7   17 o  318.568   15.399  1270.96  122.499  1016.29  171.357  1537.13  175.185  283.190   24.472  349.393   20.164 -66.20334 31.70886 
1 1 1   -6    7   18 o  423.453   13.959  2244.64  147.603  2296.77  208.861  2192.62  208.624  427.815   19.550  417.955   19.989 9.859772 27.95993 
1 1 1   -6    7   19 o  409.750   15.943  2103.79  163.131  2198.08  283.856  2057.29  199.337  416.507   27.445  404.815   19.719 11.69174 33.79447 
1 1 1   -6    7   20 o  303.205   11.642  1150.26   88.146  1419.24  155.394  1022.65  107.032  335.747   18.607  285.298   15.077 50.44891 23.94838 
1 1 1   -6    7   21 o  552.339   20.436  3836.83  281.867  3387.57  488.288  4061.35  345.188  513.021   38.393  567.410   24.362 -54.38904 45.46983 
1 1 1   -6    7   22 o  348.047   13.401  1517.95  116.474  1716.48  204.214  1422.23  141.799  368.285   22.310  336.113   16.949 32.17188 28.01803 
1 1 1   -6    7   23 o  240.824   10.859  726.120   65.302  927.241  117.434  636.092   78.569  271.007   17.445  224.759   14.070 46.24770 22.41172 
1 1 1   -6    7   24 o  360.097   17.367  1632.23  156.167  1818.29  224.051  1456.42  217.789  378.001   23.858  337.509   26.042 40.49219 35.31839 
1 1 1   -6    7   25 o  601.009   21.973  4578.61  329.776  4867.94  573.661  4435.80  403.027  609.776   37.860  589.122   27.395 20.65411 46.73244 
1 1 1   -6    7   26 o  411.666   16.008  2135.64  164.562  2248.04  288.159  2081.25  200.467  417.664   27.787  405.401   19.802 12.26288 34.12085 
1 1 1   -6    7   27 o  251.117   12.252  792.189   76.829  748.967  137.461  811.825   92.651  241.273   23.097  253.457   14.702 -12.18413 27.37922 
1 1 1   -6    7   28 o  236.034   12.268  702.140   72.058  586.892  129.580  753.734   86.700  212.564   24.883  244.181   14.281 -31.61749 28.68941 
1 1 1   -6    7   29 o  341.150   14.530  1467.67  123.781  1400.76  218.918  1499.11  150.073  328.367   26.935  343.579   17.550 -15.21130 32.14773 
1 1 1   -6    7   30 o  383.802   27.710  1917.82  263.792   0.0000   0.0000  1917.82  263.792  ?   ?   383.802   27.710 0.000000 27.70985 
1 1 1   -6    7   31 o  333.999   14.350  1407.61  119.685  1390.17  214.292  1415.52  144.287  326.883   26.480  333.693   17.375 -6.809845 31.67130 
1 1 1   -6    7   32 o  369.784   15.292  1728.41  141.211  1680.57  252.038  1750.30  170.482  358.344   28.398  371.107   18.396 -12.76282 33.83577 
1 1 1   -6    7   33 o  133.069   11.766  224.465   38.695  177.774   85.622  236.449   43.378  114.478   29.698  136.404   12.888 -21.92579 32.37341 
1 1 1   -6    7   34 o  243.592   12.732  749.746   77.179  662.048  147.585  782.756   90.546  224.271   26.888  248.439   14.660 -24.16722 30.62502 
1 1 1   -6    7   35 o   84.491   17.517   94.014   35.745   35.780   85.696  106.280   39.330   73.771   29.894   89.825   18.158 -16.05312 34.97643 
1 1 1   -6    7   36 o  116.991   13.294  175.032   38.148   0.0000   0.0000  175.032   38.148  ?   ?   116.991   13.294 0.000000 13.29360 
1 1 1   -6    7   37 f  123.823   15.425  197.670   46.662  284.689  102.782  175.078   52.370  144.109   29.553  115.529   18.799 28.57938 35.02551 
1 1 1   -6    7   38 o  301.551   13.233  1152.90   99.645  1369.89  197.999  1079.30  115.312  321.806   24.831  290.357   15.965 31.44879 29.52008 
1 1 1   -6    7   39 o   50.010   15.641   31.865   21.693   19.491   99.443   32.484   22.229   73.131   31.110   50.506   15.838 22.62500 34.90977 
1 1 1   -6    7   40 o  131.740   19.293  230.892   61.590   0.0000   0.0000  230.892   61.590  ?   ?   131.740   19.293 0.000000 19.29324 
1 1 1   -6    7   41 o   77.963   13.920   80.254   26.107  134.358  117.726   77.456   26.774   98.063   36.277   76.381   14.569 21.68165 39.09349 
1 1 1   -6    7   42 o  115.240   12.056  171.753   34.181  154.051  126.873  173.139   35.494  101.282   37.622  115.560   12.499 -14.27799 39.64418 
1 1 1   -6    7   43 o   56.492   15.631   43.103   22.796 -148.9944  125.202   49.689   23.183   57.828   28.021   60.542   15.321 -2.714363 31.93627 
1 1 1   -6    7   44 o   77.989   18.356   84.483   35.155  251.985  142.983   73.706   36.268  118.675   40.357   72.537   19.571 46.13809 44.85184 
1 1 1   -6    7   45 o   41.161   15.067   18.869   20.224  110.459  152.135   17.222   20.405   90.021   38.392   40.350   15.068 49.67131 41.24282 
1 1 1   -6    7   46 o  196.167   12.945  505.282   63.058  564.213  199.266  498.724   66.474  162.613   46.645  194.246   13.794 -31.63377 48.64204 
1 1 1   -6    8    1 o  190.915   12.659  458.401   60.010  417.245   84.595  500.090   85.141  181.245   18.972  198.851   17.319 -17.60504 25.68801 
1 1 1   -6    8    2 o  171.662   12.179  370.805   51.870  331.075   72.881  411.586   73.840  161.293   18.425  180.343   16.582 -19.04979 24.78804 
1 1 1   -6    8    3 o  244.077   9.7039  745.203   59.146  730.635   83.528  759.851   83.762  241.047   13.936  245.863   13.697 -4.816086 19.54034 
1 1 1   -6    8    4 o   90.031   8.3179  102.207   18.489   97.124   25.983  107.421   26.316   87.219   12.269   91.889   11.737 -4.669510 16.97837 
1 1 1   -6    8    5 o  277.523   10.489  963.746   72.695  974.575  102.723  952.882  102.889  278.387   14.830  275.236   15.027 3.150391 21.11215 
1 1 1   -6    8    6 o  444.390   14.497  2475.75  160.879  2441.39  227.405  2510.18  227.629  440.377   20.679  446.585   20.411 -6.208282 29.05573 
1 1 1   -6    8    7 o  435.890   14.337  2381.31  156.063  2300.63  220.540  2462.24  220.874  427.576   20.655  442.448   19.991 -14.87155 28.74478 
1 1 1   -6    8    8 o  292.941   10.907  1073.70   79.786  1029.32  112.710  1118.29  112.959  286.061   15.840  298.285   15.215 -12.22400 21.96374 
1 1 1   -6    8    9 o  589.568   18.604  4364.65  273.904  4345.36  387.311  4383.94  387.408  586.576   26.441  589.203   26.330 -2.626221 37.31519 
1 1 1   -6    8   10 o  349.792   12.141  1531.19  106.052  1501.71  149.849  1560.78  150.111  345.559   17.421  352.766   17.040 -7.207581 24.36942 
1 1 1   -6    8   11 o  527.530   16.483  3488.45  217.138  3323.93  306.816  3653.53  307.343  513.823   23.912  538.891   22.839 -25.06848 33.06639 
1 1 1   -6    8   12 o  532.092   17.044  3549.18  226.464  3669.95  320.495  3428.76  320.042  540.053   23.765  521.868   24.558 18.18451 34.17407 
1 1 1   -6    8   13 o  691.763   21.473  6011.28  370.939  6006.58  524.526  6015.99  524.648  689.386   30.469  689.930   30.452 -0.5440063 43.07732 
1 1 1   -6    8   14 f  531.034   17.026  3534.08  225.782  3546.44  319.266  3521.71  319.341  530.980   24.078  529.111   24.169 1.869385 34.11592 
1 1 1   -6    8   15 o  245.955   10.028  756.280   61.591  748.044   87.060  764.534   87.147  244.032   14.350  246.730   14.204 -2.698959 20.19077 
1 1 1   -6    8   16 o  362.163   17.981  1644.36  162.615  1734.05  229.481  1553.91  230.467  370.394   24.956  350.246   26.548 20.14798 36.43580 
1 1 1   -6    8   17 o  417.247   19.804  2184.70  206.342  2583.03  291.922  1786.97  291.701  452.153   25.963  374.661   31.470 77.49234 40.79725 
1 1 1   -6    8   18 o  250.180   12.078  783.017   75.455  844.583   92.244  658.517  131.176  259.336   14.299  227.647   23.408 31.68967 27.43025 
1 1 1   -6    8   19 o  319.154   11.858  1274.35   94.509  1299.48  133.742  1249.29  133.571  321.539   16.714  315.211   17.032 6.328583 23.86336 
1 1 1   -6    8   20 o  140.241   10.414  247.331   36.209  261.622   66.545  241.320   43.158  143.104   19.098  138.278   12.638 4.825577 22.90091 
1 1 1   -6    8   21 o  402.692   16.017  2033.86  161.062  1784.36  279.594  2157.77  197.040  373.886   30.204  414.393   19.041 -40.50650 35.70477 
1 1 1   -6    8   22 o  461.451   17.624  2675.40  203.091  2299.69  352.254  2862.47  248.563  423.120   33.615  476.712   20.880 -53.59152 39.57205 
1 1 1   -6    8   23 o  197.652   10.359  490.331   50.950  603.954   92.916  441.476   60.927  218.525   17.165  187.209   13.116 31.31616 21.60227 
1 1 1   -6    8   24 o  670.981   24.144  5709.59  404.542  6078.48  702.781  5526.78  494.726  681.007   41.524  657.322   30.140 23.68567 51.30905 
1 1 1   -6    8   25 o  242.760   14.303  743.057   86.323  784.891  126.153  706.222  118.376  248.277   20.532  235.467   20.331 12.80907 28.89485 
1 1 1   -6    8   26 o  411.699   16.131  2136.10  165.844  2259.93  290.218  2076.06  202.090  418.766   27.912  404.869   19.988 13.89642 34.33139 
1 1 1   -6    8   27 o  217.572   11.815  596.104   63.950  527.253  115.413  626.609   76.821  202.043   23.302  222.734   13.881 -20.69054 27.12305 
1 1 1   -6    8   28 o  521.067   19.976  3449.73  259.932  3160.43  452.306  3592.38  317.619  487.078   37.474  529.698   24.012 -42.62061 44.50701 
1 1 1   -6    8   29 o  199.617   11.501  502.233   57.085  499.127  106.465  503.487   67.629  196.564   22.071  199.485   13.658 -2.921371 25.95535 
1 1 1   -6    8   30 o  256.432   12.581  827.404   80.565  787.253  145.829  845.043   96.655  246.586   23.986  258.300   15.050 -11.71378 28.31650 
1 1 1   -6    8   31 o   80.718   21.316   86.197   43.603   0.0000   0.0000   86.197   43.603  ?   ?    80.718   21.316 0.000000 21.31586 
1 1 1   -6    8   32 o  381.663   14.763  1839.46  140.703  2182.17  252.947  1685.91  169.316  410.857   24.770  363.698   18.706 47.15845 31.03961 
1 1 1   -6    8   33 o  323.431   14.423  1320.76  116.488  1170.92  209.802  1387.53  140.060  298.602   28.482  330.367   17.035 -31.76465 33.18731 
1 1 1   -6    8   34 o  209.584   11.902  554.557   62.035  586.291  124.865  544.157   71.481  212.068   24.001  207.189   13.896 4.878555 27.73370 
1 1 1   -6    8   35 o  325.336   13.991  1336.92  113.670  1463.28  211.822  1285.81  134.710  335.068   25.507  317.746   17.039 17.32227 30.67493 
1 1 1   -6    8   36 o  274.109   15.124  954.661  103.126  1238.15  165.480  774.655  131.863  309.649   21.535  244.493   21.827 65.15552 30.66209 
1 1 1   -6    8   37 o   95.664   13.264  117.826   30.834  249.606   98.222  103.420   32.475  134.753   29.964   89.103   15.137 45.65008 33.57051 
1 1 1   -6    8   38 o  232.447   12.062  684.636   69.775  951.892  150.740  611.759   78.716  269.567   22.602  218.979   14.477 50.58789 26.84039 
1 1 1   -6    8   39 o  147.477   11.694  276.923   42.713  307.145  119.064  272.460   45.759  146.503   33.300  146.029   12.674 0.4741364 35.63026 
1 1 1   -6    8   40 o  201.483   11.369  516.259   56.970  856.708  143.856  452.933   62.043  253.213   23.001  188.043   13.298 65.16942 26.56896 
1 1 1   -6    8   41 o  126.828   19.658  215.981   60.245   0.0000   0.0000  215.981   60.245  ?   ?   126.828   19.658 0.000000 19.65805 
1 1 1   -6    8   42 o   73.626   14.358   72.206   25.450   84.598  119.841   71.621   26.044   87.008   35.318   73.210   14.756 13.79731 38.27676 
1 1 1   -6    8   43 f  191.872   12.599  475.428   60.033  407.108  158.136  486.932   64.891  155.115   40.418  193.719   13.498 -38.60385 42.61219 
1 1 1   -6    8   44 o  101.590   12.719  135.101   31.560  208.890  143.619  131.357   32.351  110.117   40.177   99.945   13.292 10.17238 42.31824 
1 1 1   -6    8   45 o  121.191   12.542  191.998   37.406  308.889  157.120  184.975   38.514  127.463   42.298  118.640   13.225 8.823288 44.31706 
1 1 1   -6    8   46 o  123.826   12.408  201.117   37.850  292.860  171.369  196.412   38.809  118.201   43.761  122.110   12.923 -3.908653 45.62919 
1 1 1   -6    8   47 f  161.777   12.411  344.112   49.757  515.693  201.457  332.966   51.348  147.712   47.837  158.688   13.074 -10.97585 49.59183 
1 1 1   -6    9    1 o  512.127   16.479  3288.86  210.743  3259.05  297.925  3318.72  298.147  508.682   23.454  513.354   23.258 -4.672058 33.03007 
1 1 1   -6    9    2 o  504.555   16.294  3192.39  205.301  3256.25  290.351  3128.55  290.326  508.514   22.865  498.357   23.329 10.15689 32.66567 
1 1 1   -6    9    3 o  343.736   17.170  1482.51  147.379  1423.46  208.087  1541.94  208.765  334.993   25.056  348.926   24.107 -13.93228 34.77020 
1 1 1   -6    9    4 o  411.448   18.994  2126.53  195.158  1774.26  275.016  2483.86  276.986  373.066   29.768  442.985   25.143 -69.91925 38.96540 
1 1 1   -6    9    5 o  544.796   17.351  3724.59  236.054  3646.59  333.741  3802.68  333.922  537.641   24.858  549.141   24.351 -11.49988 34.79763 
1 1 1   -6    9    6 o  318.097   11.493  1266.16   91.294  1224.40  128.988  1308.08  129.231  311.999   16.616  322.987   16.022 -10.98785 23.08235 
1 1 1   -6    9    7 o  307.987   11.279  1186.81   86.748  1173.79  122.541  1199.89  122.820  305.544   16.117  308.951   15.974 -3.406250 22.69236 
1 1 1   -6    9    8 o  439.172   14.529  2416.20  159.339  2349.70  225.202  2482.87  225.478  432.326   20.860  444.486   20.314 -12.16043 29.11685 
1 1 1   -6    9    9 o  630.050   19.710  4985.55  310.113  4956.27  438.498  5014.85  438.635  626.330   28.036  630.063   27.878 -3.732361 39.53753 
1 1 1   -6    9   10 o  359.973   12.454  1621.57  111.954  1566.96  158.184  1676.38  158.470  352.974   18.006  365.619   17.357 -12.64517 25.00943 
1 1 1   -6    9   11 o  650.658   28.704  5346.59  466.385   0.0000   0.0000  5346.59  466.385  ?   ?   650.658   28.704 0.000000 28.70389 
1 1 1   -6    9   12 f  886.287   38.509 10002.74  852.287 10002.74  852.287   0.0000   0.0000  886.287   38.509  ?   ?  0.000000 38.50888 
1 1 1   -6    9   13 o  1150.78   34.894 16797.23  1002.75 16618.48  1417.87 16976.10  1418.33  1135.34   50.011  1147.87   49.481 -12.53235 70.35193 
1 1 1   -6    9   14 o  544.937   17.187  3721.75  233.883  3659.06  330.617  3784.54  330.904  539.276   24.551  548.511   24.158 -9.235291 34.44357 
1 1 1   -6    9   15 o  411.235   13.876  2116.71  142.492  2131.53  201.497  2101.89  201.531  412.175   19.577  409.285   19.718 2.890472 27.78576 
1 1 1   -6    9   16 o  578.696   26.088  4217.79  377.005  4320.08  532.798  4115.21  533.534  582.079   36.845  567.728   37.850 14.35089 52.82208 
1 1 1   -6    9   17 o  634.375   28.059  5076.53  444.499  5706.63  629.084  4448.29  628.151  668.808   37.822  588.323   43.055 80.48584 57.30805 
1 1 1   -6    9   18 o  137.777   12.810  239.583   43.568  293.690   59.406  176.611   64.088  152.291   15.853  116.536   22.839 35.75442 27.80201 
1 1 1   -6    9   19 o  147.090   9.1678  271.517   33.507  300.406   47.446  242.773   47.326  154.443   12.407  138.560   13.864 15.88286 18.60456 
1 1 1   -6    9   20 o  507.607   16.217  3230.71  205.563  3360.99  290.792  3100.57  290.629  516.735   22.535  496.146   23.457 20.58936 32.52822 
1 1 1   -6    9   21 o  325.599   14.015  1328.38  113.957  1108.89  198.092  1436.95  139.318  294.845   27.211  338.414   16.486 -43.56879 31.81565 
1 1 1   -6    9   22 o  225.345   11.167  635.666   62.840  712.466  112.208  600.572   75.850  237.236   19.102  218.437   13.979 18.79936 23.67066 
1 1 1   -6    9   23 o  657.952   23.281  5474.36  382.519  6038.41  664.946  5195.38  467.645  682.151   39.200  638.604   29.325 43.54633 48.95480 
1 1 1   -6    9   24 o  178.823   9.6266  401.430   42.830  577.074   80.499  332.077   50.583  213.787   15.177  162.253   12.583 51.53436 19.71477 
1 1 1   -6    9   25 o  247.014   12.230  765.416   75.437  708.224  133.481  792.255   91.440  235.145   23.027  250.629   14.674 -15.48409 27.30546 
1 1 1   -6    9   26 o  351.906   18.381  1569.09  160.971  1435.74  230.124  1696.85  225.248  333.403   27.897  363.806   24.944 -30.40259 37.42244 
1 1 1   -6    9   27 o  252.116   12.370  798.519   77.876  790.015  139.423  802.375   93.887  247.989   22.768  251.929   14.991 -3.939804 27.26037 
1 1 1   -6    9   28 o  261.510   12.847  860.060   83.895  712.521  149.235  928.232  101.442  234.146   25.960  270.908   15.054 -36.76231 30.00933 
1 1 1   -6    9   29 o  159.637   10.913  321.420   43.243  329.348   83.696  318.532   50.507  159.343   21.590  158.605   12.863 0.7380524 25.13143 
1 1 1   -6    9   30 o  190.707   11.298  458.488   53.563  508.441  102.104  439.522   62.914  198.676   20.893  186.299   13.618 12.37660 24.93930 
1 1 1   -6    9   31 o   89.138   11.968  101.674   25.968  128.559   65.100   96.586   28.318   98.071   26.116   86.545   13.547 11.52612 29.42093 
1 1 1   -6    9   32 o  356.190   26.427  1649.20  233.384   0.0000   0.0000  1649.20  233.384  ?   ?   356.190   26.427 0.000000 26.42686 
1 1 1   -6    9   33 o  269.482   12.849  914.703   86.466  891.771  160.417  924.094  102.654  261.930   24.822  269.957   15.290 -8.027008 29.15317 
1 1 1   -6    9   34 o  171.080   11.139  369.483   47.327  445.724  102.704  348.930   53.326  185.052   22.701  165.905   12.975 19.14725 26.14734 
1 1 1   -6    9   35 o  181.046   13.583  415.908   60.960   0.0000   0.0000  415.908   60.960  ?   ?   181.046   13.583 0.000000 13.58263 
1 1 1   -6    9   36 o  435.247   20.139  2425.45  218.887  2801.80  320.973  2098.27  299.270  461.800   27.965  397.650   30.367 64.15048 41.28225 
1 1 1   -6    9   37 o  104.361   17.307  142.273   43.522 -14.9514   95.167  183.853   48.940   66.922   29.435  119.043   16.941 -52.12139 33.96155 
1 1 1   -6    9   38 o  139.813   12.452  248.996   43.019  225.145  108.732  253.423   46.841  126.312   33.805  140.822   13.485 -14.51030 36.39531 
1 1 1   -6    9   39 o  210.576   12.546  563.898   65.673  521.750  145.604  574.663   73.583  193.855   31.131  212.126   13.969 -18.27058 34.12181 
1 1 1   -6    9   40 o  133.718   11.645  228.342   38.498  373.656  119.220  211.425   40.677  162.650   30.472  128.313   12.868 34.33719 33.07788 
1 1 1   -6    9   41 o  136.936   12.083  240.519   40.894  214.888  122.978  243.705   43.361  118.708   37.258  137.639   12.761 -18.93106 39.38264 
1 1 1   -6    9   42 o   88.010   13.935  101.919   29.607   0.0000   0.0000  101.919   29.607  ?   ?    88.010   13.935 0.000000 13.93537 
1 1 1   -6    9   43 o  198.817   12.185  508.728   60.205  723.128  164.074  475.369   64.719  221.509   30.468  191.452   13.626 30.05724 33.37648 
1 1 1   -6    9   44 o  153.516   12.002  304.553   45.645  480.512  157.074  288.323   47.704  171.087   37.775  148.931   12.956 22.15652 39.93493 
1 1 1   -6    9   45 o  100.581   13.033  133.079   31.965  161.121  154.123  131.818   32.676   99.751   40.206   99.942   13.433 -0.1910553 42.39029 
1 1 1   -6    9   46 o  150.939   12.489  297.634   46.649  345.211  178.060  294.128   48.337  128.552   44.979  149.736   13.058 -21.18423 46.83610 
1 1 1   -6    9   47 o   64.671   15.645   58.018   24.990  301.758  180.909   53.277   25.232  115.570   44.474   61.845   16.160 53.72445 47.31880 
1 1 1   -6   10    1 o  489.780   15.902  3006.38  194.496  3083.36  275.068  2929.41  275.050  495.128   22.247  482.516   22.827 12.61188 31.87477 
1 1 1   -6   10    2 o  583.278   18.246  4269.04  265.761  4138.10  375.596  4400.33  376.090  572.744   26.261  590.786   25.492 -18.04224 36.59917 
1 1 1   -6   10    3 o  318.640   11.480  1270.24   91.348  1242.99  128.951  1297.70  129.423  314.445   16.479  321.347   16.180 -6.901886 23.09466 
1 1 1   -6   10    4 o  337.729   11.993  1427.27  101.149  1478.76  143.021  1375.75  143.072  343.416   16.677  330.728   17.384 12.68787 24.09054 
1 1 1   -6   10    5 o  504.679   22.998  3205.84  289.842  2991.98  409.299  3420.96  410.501  484.116   34.074  518.505   31.858 -34.38879 46.64711 
1 1 1   -6   10    6 o  295.514   15.731  1097.53  115.670  1195.88  163.576  999.167  163.588  307.683   21.423  280.744   23.552 26.93918 31.83766 
1 1 1   -6   10    7 o  540.401   24.511  3678.98  330.770  3590.89  467.374  3767.38  468.187  530.194   35.506  543.400   34.683 -13.20605 49.63440 
1 1 1   -6   10    8 o  328.760   16.804  1358.58  137.494  1328.38  193.829  1389.18  195.069  323.924   24.135  331.366   23.731 -7.441376 33.84771 
1 1 1   -6   10    9 o  373.633   12.869  1747.17  120.076  1740.61  169.739  1753.74  169.888  372.488   18.248  373.895   18.195 -1.407196 25.76951 
1 1 1   -6   10   10 o  357.801   12.491  1601.93  111.603  1578.29  157.787  1625.59  157.873  354.303   17.892  360.054   17.559 -5.750824 25.06827 
1 1 1   -6   10   11 o  657.754   20.400  5432.20  335.071  5164.22  473.369  5701.31  474.357  639.346   29.649  672.129   28.262 -32.78387 40.96113 
1 1 1   -6   10   12 o  369.715   12.615  1710.27  116.472  1925.87  165.069  1496.52  164.364  392.003   16.863  344.843   19.162 47.16052 25.52548 
1 1 1   -6   10   13 o  614.801   18.831  4741.12  289.105  5151.67  409.381  4332.68  408.332  639.621   25.630  586.122   27.898 53.49878 37.88430 
1 1 1   -6   10   14 o  377.004   12.933  1778.47  121.755  1759.67  172.203  1797.26  172.171  374.595   18.409  378.592   18.211 -3.997070 25.89472 
1 1 1   -6   10   15 o  529.955   19.595  3524.03  259.316  3340.73  448.248  3616.23  317.915  512.021   35.273  536.226   23.742 -24.20526 42.51857 
1 1 1   -6   10   16 f  238.074   13.810  711.829   81.748  636.027  114.135  791.679  117.143  224.144   20.622  250.523   18.863 -26.37930 27.94829 
1 1 1   -6   10   17 o  790.867   34.739  7936.39  686.068  8272.77  970.184  7599.92  970.310  799.918   48.802  765.343   51.063 34.57513 70.63336 
1 1 1   -6   10   18 o  191.303   9.8315  458.772   46.808  441.830   56.960  494.010   82.146  187.518   12.231  197.814   16.788 -10.29654 20.77102 
1 1 1   -6   10   19 o  367.834   12.419  1693.31  114.071  1639.48  161.091  1747.44  161.551  361.493   17.845  373.257   17.332 -11.76318 24.87670 
1 1 1   -6   10   20 o  328.322   11.674  1348.97   95.713  1361.53  135.032  1336.29  135.687  329.483   16.412  325.965   16.726 3.518433 23.43261 
1 1 1   -6   10   21 o  327.023   11.568  1338.65   94.467  1346.99  133.649  1330.32  133.543  327.634   16.335  325.171   16.500 2.462555 23.21833 
1 1 1   -6   10   22 o  215.535   11.472  583.292   61.521  556.297  109.222  595.837   74.456  209.037   21.218  217.582   13.774 -8.545059 25.29678 
1 1 1   -6   10   23 o  425.915   16.693  2280.30  177.550  2207.76  308.928  2316.07  216.962  414.980   30.014  428.561   20.273 -13.58063 36.21906 
1 1 1   -6   10   24 o  332.996   14.029  1392.09  116.654  1433.25  204.457  1372.22  142.044  335.141   24.602  329.700   17.313 5.441376 30.08315 
1 1 1   -6   10   25 o  478.925   18.115  2893.89  216.648  2975.73  377.376  2853.65  264.594  479.614   31.687  474.305   22.339 5.308868 38.77036 
1 1 1   -6   10   26 o  480.888   22.810  2941.90  273.918  2844.73  389.407  3037.06  385.382  466.779   33.633  483.290   32.115 -16.51083 46.50324 
1 1 1   -6   10   27 o  574.867   26.148  4240.24  375.363  4425.86  533.560  4058.36  528.168  578.480   37.132  552.696   38.509 25.78479 53.49458 
1 1 1   -6   10   28 o  284.644   13.382  1019.59   95.117  865.402  168.396  1091.82  115.265  258.093   26.504  293.701   15.774 -35.60785 30.84293 
1 1 1   -6   10   29 o  261.857   13.038  862.896   85.259  681.054  151.894  946.543  103.019  228.234   27.186  273.478   15.144 -45.24451 31.11923 
1 1 1   -6   10   30 o  341.019   13.496  1464.83  114.929  1755.43  206.366  1334.18  138.374  369.843   22.451  324.152   17.155 45.69095 28.25498 
1 1 1   -6   10   31 o  232.562   11.889  681.821   68.815  721.579  128.238  665.743   81.551  236.620   21.953  229.304   14.313 7.316254 26.20674 
1 1 1   -6   10   32 o  358.243   15.106  1621.20  135.139  1584.31  240.916  1638.14  163.240  348.318   27.932  358.705   18.284 -10.38702 33.38477 
1 1 1   -6   10   33 o  230.742   21.027  685.480  119.826   0.0000   0.0000  685.480  119.826  ?   ?   230.742   21.027 0.000000 21.02662 
1 1 1   -6   10   34 o  130.995   12.373  217.925   39.994  177.347   91.581  227.487   44.457  114.247   31.214  133.652   13.506 -19.40488 34.01081 
1 1 1   -6   10   35 o  106.628   13.470  145.642   35.066   32.988   90.690  165.445   38.024   74.834   30.590  113.711   13.664 -38.87698 33.50333 
1 1 1   -6   10   36 o  177.485   11.840  398.431   52.177  460.481  116.328  382.803   58.379  186.786   25.614  173.602   13.574 13.18373 28.98891 
1 1 1   -6   10   37 o  123.456   12.196  194.041   37.108  169.590  100.801  197.874   39.911  111.308   33.514  124.515   13.029 -13.20662 35.95765 
1 1 1   -6   10   38 o  175.760   14.830  394.976   64.481  469.827  121.709  365.769   76.028  187.230   26.795  168.017   18.423 19.21349 32.51754 
1 1 1   -6   10   39 o  317.815   14.820  1286.82  117.614  1077.04  221.819  1368.86  138.719  279.102   32.431  326.315   17.083 -47.21252 36.65484 
1 1 1   -6   10   40 o   88.921   13.402  102.775   28.836  202.516  108.927   95.259   29.903  117.952   34.677   85.242   14.571 32.71025 37.61447 
1 1 1   -6   10   41 o   86.398   13.854   97.741   28.880   93.459  113.520   98.037   29.863   89.788   35.039   86.396   14.345 3.392784 37.86198 
1 1 1   -6   10   42 o   71.783   14.611   68.676   25.301  210.030  119.151   62.001   25.892  116.290   36.699   67.923   15.594 48.36651 39.87458 
1 1 1   -6   10   43 o   53.302   15.771   37.735   22.467   0.0000   0.0000   37.735   22.467  ?   ?    53.302   15.771 0.000000 15.77139 
1 1 1   -6   10   44 o  154.092   12.528  307.455   47.790  178.208  151.484  321.740   50.362  105.186   40.635  157.476   12.921 -52.28993 42.63992 
1 1 1   -6   10   45 o   60.026   15.582   49.098   23.561 -161.0167  141.976   55.049   23.893   60.889   29.582   63.602   15.242 -2.712708 33.27781 
1 1 1   -6   10   46 o  251.662   13.515  828.510   84.626  956.353  217.840  805.787   91.839  237.417   38.026  246.917   14.965 -9.500183 40.86522 
1 1 1   -6   10   47 o   64.290   15.108   56.911   23.845  216.004  177.236   53.978   24.064  103.474   42.584   62.496   15.496 40.97802 45.31607 
1 1 1   -6   11    1 o  452.739   14.920  2567.51  168.676  2645.96  238.570  2489.09  238.518  458.907   20.818  445.008   21.464 13.89886 29.90110 
1 1 1   -6   11    2 o  804.308   24.440  8146.95  490.887  8223.14  694.185  8070.74  694.252  804.634   34.548  797.012   34.882 7.622253 49.09520 
1 1 1   -6   11    3 o  233.668   9.5395  682.638   55.664  655.207   78.499  710.382   78.945  228.345   13.832  237.848   13.345 -9.503387 19.22026 
1 1 1   -6   11    4 o  415.910   13.574  2165.56  140.982  2116.43  199.096  2214.97  199.663  410.596   19.418  420.091   19.033 -9.494904 27.18992 
1 1 1   -6   11    5 o  421.769   14.072  2227.43  148.207  2250.72  209.525  2204.10  209.666  423.378   19.818  418.943   20.041 4.434509 28.18506 
1 1 1   -6   11    6 o  255.303   10.141  815.025   64.653  783.458   91.187  846.937   91.683  249.680   14.690  259.686   14.192 -10.00620 20.42535 
1 1 1   -6   11    7 o  158.961   8.6118  316.758   34.057  315.864   48.060  317.659   48.270  158.413   12.244  158.864   12.262 -0.4503632 17.32856 
1 1 1   -6   11    8 o  497.980   18.565  3111.20  230.859  3183.05  282.783  2967.63  399.751  503.131   22.507  482.687   33.369 20.44412 40.25032 
1 1 1   -6   11    9 o  155.897   12.136  305.905   46.874  238.480   64.664  380.566   68.045  136.483   19.530  173.565   15.875 -37.08160 25.16793 
1 1 1   -6   11   10 o  257.146   14.561  830.622   93.117  774.835  131.026  887.548  132.358  247.435   21.416  265.135   20.141 -17.70018 29.39975 
1 1 1   -6   11   11 o  204.139   18.789  527.137   94.708  527.137   94.708   0.0000   0.0000  204.139   18.789  ?   ?  0.000000 18.78948 
1 1 1   -6   11   12 o  214.379   13.613  577.538   72.498  639.461  101.957  514.209  103.107  225.076   18.298  201.307   20.811 23.76949 27.71155 
1 1 1   -6   11   13 o  640.909   28.502  5183.31  456.164  5487.30  645.304  4879.67  644.923  655.106   39.632  616.691   42.130 38.41541 57.84210 
1 1 1   -6   11   14 o  385.159   18.371  1860.44  176.697  2300.88  250.413  1423.67  249.366  427.089   23.571  334.371   30.190 92.71887 38.30187 
1 1 1   -6   11   15 o  860.689   37.643  9422.57  809.066  9359.04  1143.59  9486.22  1144.80  847.883   54.296  853.856   53.968 -5.972168 76.55455 
1 1 1   -6   11   16 o  257.287   14.725  831.634   94.213  837.359  131.775  825.647  134.748  257.410   20.675  255.496   21.314 1.914124 29.69411 
1 1 1   -6   11   17 o  554.334   25.131  3870.65  347.884  3864.01  491.138  3877.34  492.829  550.239   35.941  551.170   36.004 -0.9309692 50.87321 
1 1 1   -6   11   18 o  338.516   11.907  1433.80  100.650  1385.27  142.056  1482.71  142.628  331.923   17.197  343.903   16.608 -11.97995 23.90771 
1 1 1   -6   11   19 o  246.841   10.262  762.043   63.254  744.644   89.162  779.671   89.749  243.349   14.742  249.055   14.493 -5.705948 20.67321 
1 1 1   -6   11   20 o  477.014   15.730  2853.42  187.371  2912.21  265.004  2794.64  264.960  480.898   22.067  471.006   22.527 9.891815 31.53458 
1 1 1   -6   11   21 o  265.416   10.007  881.312   66.322  898.262   93.723  864.310   93.865  267.331   14.089  262.177   14.392 5.153015 20.14034 
1 1 1   -6   11   22 o  393.163   13.238  1937.55  129.974  1808.06  183.280  2068.54  184.346  378.461   19.459  405.536   18.203 -27.07535 26.64602 
1 1 1   -6   11   23 o  530.897   17.207  3545.48  228.125  3601.40  322.720  3489.63  322.515  533.124   24.241  524.667   24.616 8.457458 34.54792 
1 1 1   -6   11   24 o  151.273   10.650  288.057   39.974  322.533   74.466  274.101   47.379  158.772   19.170  147.240   13.020 11.53279 23.17321 
1 1 1   -6   11   25 o  388.153   15.931  1896.83  154.421  1547.11  268.463  2069.75  188.777  345.142   31.495  404.835   18.673 -59.69269 36.61479 
1 1 1   -6   11   26 o  230.833   11.948  670.568   68.638  691.299  123.178  661.232   82.661  232.391   21.468  228.782   14.544 3.608521 25.93114 
1 1 1   -6   11   27 o  141.960   12.658  255.242   44.401  340.151   73.082  205.561   55.902  162.967   18.273  126.200   18.270 36.76761 25.83958 
1 1 1   -6   11   28 o  322.959   14.198  1313.90  114.506  1255.08  201.930  1341.78  139.017  311.359   26.215  325.268   17.176 -13.90952 31.34060 
1 1 1   -6   11   29 o  284.488   13.138  1018.63   93.337  998.669  166.760  1027.74  112.632  278.068   24.258  284.804   15.900 -6.735992 29.00494 
1 1 1   -6   11   30 o   93.004   12.355  110.664   27.983  175.537   65.949   96.419   30.903  115.021   23.747   86.224   14.891 28.79675 28.02976 
1 1 1   -6   11   31 o  511.350   19.704  3328.18  251.612  3169.26  439.602  3405.61  306.844  486.831   36.424  514.983   23.860 -28.15222 43.54341 
1 1 1   -6   11   32 o  210.494   11.066  558.198   57.962  731.329  114.383  498.383   67.233  239.005   19.330  198.387   13.654 40.61786 23.66656 
1 1 1   -6   11   33 o  395.312   16.362  1978.67  161.521  1863.98  287.079  2031.79  195.380  376.012   30.845  399.384   19.590 -23.37207 36.54063 
1 1 1   -6   11   34 o  249.892   21.984  805.881  135.791   0.0000   0.0000  805.881  135.791  ?   ?   249.892   21.984 0.000000 21.98418 
1 1 1   -6   11   35 o  239.922   25.068  751.651  147.971  751.651  147.971   0.0000   0.0000  239.922   25.068  ?   ?  0.000000 25.06783 
1 1 1   -6   11   36 o  159.546   11.896  322.298   47.056  354.391  109.022  314.950   52.165  162.707   27.832  157.412   13.398 5.294952 30.88937 
1 1 1   -6   11   37 o   70.411   15.870   65.375   27.237   42.863   90.669   67.608   28.556   76.634   30.855   71.561   16.339 5.072891 34.91450 
1 1 1   -6   11   38 o  112.000   12.717  160.519   34.937  200.939  105.645  155.556   37.020  119.805   33.828  110.001   13.779 9.804466 36.52673 
1 1 1   -6   11   39 o  320.380   18.973  1327.40  151.116  1196.01  229.477  1428.00  200.802  295.232   31.618  328.511   24.657 -33.27890 40.09586 
1 1 1   -6   11   40 o  173.850   11.913  384.809   51.405  654.882  134.768  338.825   55.609  220.709   24.886  162.524   13.833 58.18478 28.47275 
1 1 1   -6   11   41 o   97.714   12.863  123.666   30.623  253.428  116.924  114.110   31.730  130.182   35.146   93.483   14.025 36.69804 37.84111 
1 1 1   -6   11   42 o  146.114   12.106  274.154   43.775  348.025  135.025  265.478   46.274  150.265   36.374  143.446   13.061 6.819031 38.64804 
1 1 1   -6   11   43 o  132.074   12.834  225.886   41.794  154.869  136.470  233.236   43.903  102.169   38.791  134.053   13.290 -31.88430 41.00441 
1 1 1   -6   11   44 o  100.552   13.605  132.811   33.284   0.0000   0.0000  132.811   33.284  ?   ?   100.552   13.605 0.000000 13.60478 
1 1 1   -6   11   45 f   66.652   15.515   60.439   25.339 -232.4225  141.510   70.140   25.755   56.238   27.768   72.110   14.799 -15.87156 31.46498 
1 1 1   -6   11   46 o  101.674   13.511  136.702   33.456   53.290  163.764  140.335   34.176   84.463   37.793  102.989   13.623 -18.52565 40.17308 
1 1 1   -6   11   47 o  109.907   12.554  159.024   33.838  456.132  182.226  148.414   34.436  148.356   45.149  105.792   13.331 42.56406 47.07618 
1 1 1   -6   12    1 o  360.063   17.740  1626.26  159.512  1657.91  225.363  1594.48  225.805  361.872   25.094  354.736   25.664 7.135773 35.89335 
1 1 1   -6   12    2 o  583.209   18.432  4267.88  268.439  4263.94  379.555  4271.83  379.705  581.493   26.138  582.034   26.124 -0.5407715 36.95542 
1 1 1   -6   12    3 o  361.990   12.578  1639.84  113.701  1706.64  160.769  1573.00  160.827  368.901   17.452  353.624   18.275 15.27737 25.26929 
1 1 1   -6   12    4 o  725.558   22.440  6620.32  406.573  6843.74  575.185  6397.23  574.777  735.210   31.329  710.481   32.396 24.72894 45.06688 
1 1 1   -6   12    5 f  544.694   17.394  3720.38  236.589  3737.93  334.454  3702.79  334.722  544.817   24.583  542.224   24.720 2.592896 34.86285 
1 1 1   -6   12    6 o  287.292   10.844  1032.26   77.794  1080.83  109.926  983.517  110.108  293.367   15.056  279.724   15.828 13.64337 21.84488 
1 1 1   -6   12    7 f  118.132   8.7265  175.379   25.561  208.087   35.677  140.884   36.638  128.495   11.232  105.111   14.332 23.38395 18.20868 
1 1 1   -6   12    8 o  170.709   8.8114  365.218   37.434  353.058   52.553  377.743   53.336  167.496   12.658  173.310   12.406 -5.813431 17.72362 
1 1 1   -6   12    9 o  335.005   17.234  1410.65  143.685   0.0000   0.0000  1410.65  143.685  ?   ?   335.005   17.234 0.000000 17.23390 
1 1 1   -6   12   10 o  290.704   15.559  1061.63  112.538  1061.63  112.538   0.0000   0.0000  290.704   15.559  ?   ?  0.000000 15.55883 
1 1 1   -6   12   11 o  125.372   8.7093  197.401   27.098  188.954   37.975  206.163   38.678  122.240   12.622  127.783   12.272 -5.543526 17.60458 
1 1 1   -6   12   12 o  166.267   10.467  347.042   43.235  414.146   52.625  207.684   75.838  181.585   11.667  126.286   24.933 55.29942 27.52778 
1 1 1   -6   12   13 o  393.736   18.447  1944.51  181.374  1657.60  255.056  2238.02  257.972  361.308   28.500  420.954   24.648 -59.64691 37.68017 
1 1 1   -6   12   14 o  364.849   18.053  1669.39  164.478  1668.23  231.720  1670.57  233.504  363.017   25.728  363.238   25.913 -0.2214355 36.51569 
1 1 1   -6   12   15 o  283.320   15.590  1008.62  109.877  1051.50  154.228  964.411  156.577  288.487   21.564  275.994   22.926 12.49298 31.47422 
1 1 1   -6   12   16 o  461.884   17.672  2675.48  203.830  2695.00  249.405  2636.21  353.710  463.068   21.568  455.317   31.299 7.750885 38.01050 
1 1 1   -6   12   17 o  510.279   16.285  3263.86  207.516  3093.77  293.051  3434.93  293.894  495.730   23.673  522.552   22.522 -26.82169 32.67485 
1 1 1   -6   12   18 o  314.528   11.763  1237.88   92.387  1249.35  130.494  1226.36  130.816  315.207   16.637  312.258   16.839 2.949188 23.67159 
1 1 1   -6   12   19 o  400.330   13.290  2007.05  132.860  1895.21  187.510  2119.81  188.277  388.368   19.334  410.865   18.350 -22.49716 26.65628 
1 1 1   -6   12   20 o  342.079   12.377  1465.29  105.727  1461.01  149.327  1469.59  149.716  340.630   17.615  341.633   17.609 -1.002441 24.90752 
1 1 1   -6   12   21 f  286.890   11.380  1030.46   81.525  1052.80  115.127  1007.98  115.461  289.166   16.006  282.863   16.416 6.302643 22.92773 
1 1 1   -6   12   22 o  216.106   9.9534  584.472   53.714  553.802   75.767  615.462   76.161  209.583   14.567  221.091   13.865 -11.50754 20.11072 
1 1 1   -6   12   23 o  362.879   12.863  1651.38  116.562  1658.47  164.711  1644.27  164.977  362.406   18.259  360.822   18.370 1.584045 25.90084 
1 1 1   -6   12   24 o  411.361   13.199  2123.91  135.590  2000.09  191.428  2248.58  192.081  398.019   19.260  422.267   18.216 -24.24765 26.50945 
1 1 1   -6   12   25 o  456.774   17.554  2632.41  200.234  2701.19  348.757  2598.59  244.557  456.897   30.746  452.612   21.637 4.284912 37.59637 
1 1 1   -6   12   26 o  201.399   11.554  510.666   57.864  473.178  104.366  527.304   69.529  191.672   22.217  204.325   13.706 -12.65300 26.10426 
1 1 1   -6   12   27 o  189.758   13.691  455.403   64.442  453.834   97.434  456.623   85.918  187.790   21.145  189.042   18.435 -1.251968 28.05274 
1 1 1   -6   12   28 o  328.693   17.691  1371.60  144.671  1276.77  208.172  1460.19  201.197  313.737   26.829  336.848   24.077 -23.11102 36.04867 
1 1 1   -6   12   29 o  372.313   14.957  1748.88  139.065  1836.46  245.061  1707.28  168.893  376.680   26.216  366.405   18.519 10.27515 32.09701 
1 1 1   -6   12   30 o  103.807   12.473  137.465   31.686  168.211   71.052  129.833   35.401  112.123   25.898  100.451   14.535 11.67162 29.69843 
1 1 1   -6   12   31 o  542.433   20.606  3751.93  279.119  3716.13  487.391  3769.40  340.480  526.447   37.316  540.905   25.207 -14.45856 45.03194 
1 1 1   -6   12   32 o  161.569   11.802  329.975   47.287  274.516   96.429  347.534   54.258  143.212   27.967  165.579   13.233 -22.36806 30.93963 
1 1 1   -6   12   33 o  189.398   12.115  453.144   57.001  442.560  112.711  456.781   66.073  183.682   25.239  189.784   14.041 -6.101822 28.88232 
1 1 1   -6   12   34 o  306.425   13.749  1184.45  105.207  1199.05  196.764  1178.60  124.498  303.251   26.242  304.583   16.429 -1.331360 30.96041 
1 1 1   -6   12   35 o  591.549   41.345  4811.03  606.911   0.0000   0.0000  4811.03  606.911  ?   ?   591.549   41.345 0.000000 41.34504 
1 1 1   -6   12   36 o  186.786   11.693  440.901   54.264  559.075  119.821  410.410   60.863  206.939   23.609  179.786   13.659 27.15265 27.27558 
1 1 1   -6   12   37 o  237.269   12.713  712.435   75.051  647.680  151.140  733.627   86.464  220.564   28.077  240.310   14.476 -19.74611 31.58921 
1 1 1   -6   12   38 o  190.887   12.164  461.842   57.679  480.618  132.289  457.435   64.092  188.518   29.033  189.611   13.627 -1.092209 32.07149 
1 1 1   -6   12   39 o  300.180   14.141  1145.06  106.004  1078.83  205.773  1168.99  123.677  281.943   29.672  301.951   16.464 -20.00806 33.93362 
1 1 1   -6   12   40 f  345.904   18.107  1549.07  155.863  1776.68  241.371  1386.27  204.128  363.005   26.817  321.493   25.639 41.51221 37.10150 
1 1 1   -6   12   41 o  200.743   11.552  513.096   57.667  847.322  148.059  453.328   62.611  250.843   23.927  188.005   13.424 62.83788 27.43527 
1 1 1   -6   12   42 f   57.836   15.521   44.723   22.885  249.699  120.079   36.998   23.312  127.318   36.105   53.163   16.142 74.15474 39.54952 
1 1 1   -6   12   43 o   99.061   13.456  128.328   32.424  176.349  130.177  125.152   33.479  106.827   38.353   97.578   14.152 9.248428 40.88057 
1 1 1   -6   12   44 o   98.507   13.299  127.192   31.878  103.332  138.234  128.532   32.761   91.628   37.647   98.923   13.623 -7.294441 40.03596 
1 1 1   -6   12   45 o   79.549   14.575   84.735   27.887   0.0000   0.0000   84.735   27.887  ?   ?    79.549   14.575 0.000000 14.57550 
1 1 1   -6   12   46 o   45.380   18.672   12.821   34.063 -56.8511  158.418   16.198   34.879   72.566   34.126   46.928   19.052 25.63854 39.08366 
1 1 1   -6   12   47 o  134.984   12.405  238.439   41.347  438.038  189.561  228.468   42.367  143.501   46.396  131.795   13.044 11.70598 48.19496 
1 1 1   -6   13    1 o  183.309   9.3180  421.207   42.513  453.255   59.927  388.736   60.320  189.865   12.713  175.641   13.865 14.22449 18.81132 
1 1 1   -6   13    2 o  217.880   13.319  596.542   72.117  598.080  101.490  594.972  102.494  217.464   18.876  216.858   19.122 0.6057739 26.86974 
1 1 1   -6   13    3 o  227.302   12.827  648.739   72.510  473.878  101.574  830.447  103.544  192.987   21.439  256.884   16.225 -63.89659 26.88633 
1 1 1   -6   13    4 o  857.222   26.022  9266.69  557.031  9872.38  788.391  8662.93  787.131  880.894   35.840  824.109   38.248 56.78510 52.41592 
1 1 1   -6   13    5 o  132.288   8.6865  219.686   28.536  219.913   39.888  219.449   40.841  132.007   12.239  131.828   12.558 0.1790466 17.53591 
1 1 1   -6   13    6 o  481.360   15.693  2903.33  188.637  3046.12  266.850  2760.70  266.696  492.262   21.708  468.470   22.797 23.79132 31.47946 
1 1 1   -6   13    7 o  276.025   10.754  952.867   74.126  994.287  104.717  911.268  104.944  281.350   14.958  269.232   15.677 12.11865 21.66849 
1 1 1   -6   13    8 o  436.362   14.415  2384.44  157.073  2264.38  221.868  2505.08  222.403  424.547   20.928  446.668   19.939 -22.12109 28.90554 
1 1 1   -6   13    9 o  229.489   9.6919  658.440   55.542  604.037   78.182  713.875   78.920  219.166   14.364  238.447   13.307 -19.28082 19.58094 
1 1 1   -6   13   10 o  349.085   12.382  1524.80  107.936  1531.69  152.410  1517.86  152.879  349.505   17.463  347.462   17.678 2.042450 24.84843 
1 1 1   -6   13   11 o  297.215   11.255  1104.91   83.535  1108.74  117.913  1101.05  118.361  297.043   15.955  295.993   16.073 1.049988 22.64744 
1 1 1   -6   13   12 o  587.678   18.592  4332.98  272.849  4378.47  385.804  4287.46  385.930  589.361   26.214  583.143   26.502 6.218506 37.27663 
1 1 1   -6   13   13 o  365.348   12.815  1670.45  116.920  1783.62  165.375  1557.35  165.325  377.141   17.560  351.789   18.889 25.35175 25.78985 
1 1 1   -6   13   14 o  355.276   12.471  1579.48  110.644  1549.87  156.153  1609.33  156.797  351.074   17.871  358.232   17.528 -7.158722 25.03152 
1 1 1   -6   13   15 o  399.430   13.579  1997.41  135.442  2051.54  191.402  1943.11  191.685  404.292   18.958  393.402   19.512 10.88956 27.20547 
1 1 1   -6   13   16 o  745.587   22.956  6996.15  427.410  7015.89  604.368  6976.39  604.530  743.681   32.544  741.547   32.646 2.133301 46.09592 
1 1 1   -6   13   17 o  353.752   12.524  1566.38  110.631  1552.63  156.257  1580.20  156.657  351.297   17.871  354.873   17.678 -3.576172 25.13713 
1 1 1   -6   13   18 o  231.181   9.9994  668.436   57.727  640.268   81.197  697.224   82.086  225.587   14.490  235.500   14.022 -9.913254 20.16375 
1 1 1   -6   13   19 o  214.408   9.7655  574.998   52.286  559.685   73.573  590.623   74.320  210.872   14.052  216.676   13.807 -5.804153 19.70044 
1 1 1   -6   13   20 o  410.005   14.062  2107.40  143.977  2078.20  203.379  2136.72  203.851  406.315   20.044  412.035   19.812 -5.719727 28.18318 
1 1 1   -6   13   21 o  643.230   20.189  5213.52  324.283  5191.68  458.398  5235.40  458.815  638.901   28.731  641.625   28.636 -2.723938 40.56466 
1 1 1   -6   13   22 o  520.965   16.995  3413.41  221.100  3463.65  312.628  3363.14  312.738  522.928   23.941  515.170   24.310 7.757629 34.11909 
1 1 1   -6   13   23 o  275.029   10.990  947.672   75.479  927.032  106.569  968.448  106.918  271.074   15.812  277.136   15.512 -6.062561 22.15000 
1 1 1   -6   13   24 o  211.763   9.8507  561.639   52.092  527.036   73.290  596.968   74.054  204.271   14.461  217.586   13.699 -13.31474 19.91948 
1 1 1   -6   13   25 o  217.579   10.171  593.268   55.263  632.390   78.183  554.203   78.125  223.833   14.059  209.310   15.047 14.52255 20.59290 
1 1 1   -6   13   26 o  166.480   11.590  349.546   47.884  261.997   86.796  387.850   57.411  141.021   25.589  175.156   13.223 -34.13474 28.80400 
1 1 1   -6   13   27 o  307.278   13.481  1188.08  103.444  1255.07  182.150  1156.19  125.677  312.553   23.510  302.053   16.727 10.50061 28.85305 
1 1 1   -6   13   28 o  335.972   17.892  1433.72  149.569  1342.37  214.865  1519.60  208.332  321.587   27.006  343.435   24.452 -21.84796 36.43064 
1 1 1   -6   13   29 o  161.508   11.464  329.338   45.935  307.348   87.006  337.835   54.087  153.283   23.478  163.266   13.384 -9.983871 27.02494 
1 1 1   -6   13   30 o  368.216   14.920  1711.34  137.188  1787.24  242.497  1675.61  166.371  371.249   26.328  362.885   18.420 8.364044 32.13169 
1 1 1   -6   13   31 o  181.467   11.702  415.681   52.744  416.681  102.853  415.324   61.438  178.772   23.617  181.028   13.692 -2.255112 27.29914 
1 1 1   -6   13   32 o  449.345   17.575  2561.07  197.207  2474.18  346.862  2602.57  239.722  432.658   32.338  451.335   21.270 -18.67682 38.70572 
1 1 1   -6   13   33 o  440.782   21.298  2483.90  234.430   0.0000   0.0000  2483.90  234.430  ?   ?   440.782   21.298 0.000000 21.29796 
1 1 1   -6   13   34 o  291.853   25.849  1109.88  186.445  1109.88  186.445   0.0000   0.0000  291.853   25.849  ?   ?  0.000000 25.84947 
1 1 1   -6   13   35 o  543.086   25.035  3814.31  339.526   0.0000   0.0000  3814.31  339.526  ?   ?   543.086   25.035 0.000000 25.03532 
1 1 1   -6   13   36 o  262.897   22.765  896.003  147.979   0.0000   0.0000  896.003  147.979  ?   ?   262.897   22.765 0.000000 22.76517 
1 1 1   -6   13   37 o  170.068   12.473  366.754   52.604  273.699  119.233  389.244   58.617  140.077   34.349  175.002   13.518 -34.92487 36.91329 
1 1 1   -6   13   38 o  268.158   13.102  909.438   87.733  976.822  174.596  886.676  101.475  271.804   26.042  263.689   15.478 8.114960 30.29478 
1 1 1   -6   13   39 o   98.560   13.445  125.374   32.228  241.623  108.820  114.197   33.742  130.477   33.290   93.628   14.933 36.84941 36.48584 
1 1 1   -6   13   40 o  355.488   18.872  1640.20  166.929  1893.56  253.724  1446.83  221.658  374.430   27.324  327.034   27.394 47.39584 38.69184 
1 1 1   -6   13   41 o  290.785   17.799  1100.28  128.625  1117.63  206.258  1089.23  164.537  283.344   29.587  285.270   23.301 -1.925964 37.66029 
1 1 1   -6   13   42 o  150.492   12.589  291.105   46.876  364.616  137.492  281.436   49.864  154.492   36.261  147.575   13.686 6.916428 38.75791 
1 1 1   -6   13   43 o  159.104   12.376  325.877   48.784  354.658  147.140  322.323   51.709  147.917   39.203  157.889   13.237 -9.972870 41.37752 
1 1 1   -6   13   44 o  202.555   12.966  530.140   65.241  469.832  174.759  539.906   70.325  165.849   42.118  203.914   13.893 -38.06511 44.34993 
1 1 1   -6   13   45 o  114.526   12.949  171.249   36.382  154.794  151.244  172.259   37.482  100.470   40.059  114.719   13.333 -14.24947 42.21964 
1 1 1   -6   13   46 o  135.116   13.031  238.629   43.423   0.0000   0.0000  238.629   43.423  ?   ?   135.116   13.031 0.000000 13.03119 
1 1 1   -6   13   47 o  137.414   18.846  260.559   62.967  351.561  191.005  249.464   66.695  127.435   46.358  133.138   20.736 -5.703751 50.78371 
1 1 1   -6   13   48 o   74.724   14.474   76.087   26.032  297.549  194.408   72.043   26.269  113.363   45.344   72.456   15.012 40.90670 47.76440 
1 1 1   -6   14    1 o  306.105   11.233  1172.51   85.868  1206.52  121.441  1138.52  121.429  309.789   15.750  300.845   16.223 8.943420 22.61101 
1 1 1   -6   14    2 o  630.553   19.795  4996.98  311.689  4999.65  440.739  4994.30  440.851  628.649   28.075  628.306   28.098 0.3430786 39.72015 
1 1 1   -6   14    3 o  261.402   10.437  854.688   68.132  869.320   96.185  839.953   96.523  262.995   14.705  258.463   15.020 4.532074 21.01932 
1 1 1   -6   14    4 o  464.167   15.128  2699.85  175.353  2744.39  247.829  2655.20  248.145  467.162   21.244  459.449   21.628 7.713074 30.31623 
1 1 1   -6   14    5 o  635.997   28.356  5113.39  450.350  5175.02  636.837  5051.73  636.946  634.631   40.394  626.765   40.920 7.865967 57.49929 
1 1 1   -6   14    6 o  274.333   10.835  941.357   74.227  980.514  104.758  901.879  105.187  279.345   15.073  267.789   15.800 11.55618 21.83651 
1 1 1   -6   14    7 o  353.609   12.570  1564.94  110.999  1607.40  156.824  1522.33  157.129  357.971   17.543  347.847   18.152 10.12445 25.24414 
1 1 1   -6   14    8 o  240.193   11.506  721.764   69.015  691.133  120.155  736.845   84.309  233.612   20.815  242.173   14.001 -8.561874 25.08531 
1 1 1   -6   14    9 o  422.789   20.116  2245.22  212.386  2245.22  212.386   0.0000   0.0000  422.789   20.116  ?   ?  0.000000 20.11646 
1 1 1   -6   14   10 o  391.485   13.132  1918.46  128.376  1936.52  181.273  1900.30  181.829  392.836   18.479  389.119   18.712 3.716858 26.29862 
1 1 1   -6   14   11 o  579.325   18.403  4211.43  266.232  4330.29  376.516  4092.58  376.501  586.055   25.727  569.581   26.470 16.47369 36.91309 
1 1 1   -6   14   12 o  214.117   9.7186  573.231   51.964  618.629   73.241  527.213   73.739  221.905   13.278  204.656   14.523 17.24915 19.67788 
1 1 1   -6   14   13 o  1058.73   32.165 14213.19  850.398 13933.49  1202.28 14493.24  1203.02  1039.77   46.304  1061.08   45.402 -21.31860 64.84863 
1 1 1   -6   14   14 o  206.549   9.4704  533.412   48.847  530.870   68.565  536.033   69.608  205.478   13.436  206.464   13.577 -0.9860840 19.10138 
1 1 1   -6   14   15 o  487.837   15.943  2983.41  194.224  3176.35  274.787  2790.78  274.561  502.474   21.899  470.747   23.356 31.72699 32.01706 
1 1 1   -6   14   16 o  567.420   18.086  4041.70  256.272  4146.20  362.375  3937.15  362.471  573.236   25.315  558.440   25.992 14.79645 36.28279 
1 1 1   -6   14   17 o  239.928   10.125  720.043   60.665  671.897   85.250  769.435   86.347  231.059   14.853  247.423   14.033 -16.36490 20.43394 
1 1 1   -6   14   18 o  165.053   9.1539  341.728   37.582  350.167   52.706  332.999   53.602  166.728   12.756  162.498   13.327 4.229736 18.44759 
1 1 1   -6   14   19 o   88.581   10.119   99.449   21.982   86.534   30.647  113.134   31.547   81.703   15.590   94.010   13.853 -12.30606 20.85563 
1 1 1   -6   14   20 o  249.436   10.595  778.799   65.994  789.395   92.986  768.044   93.678  250.379   14.940  246.911   15.268 3.467834 21.36158 
1 1 1   -6   14   21 o  459.378   15.364  2650.20  176.250  2647.61  249.073  2652.79  249.437  457.819   21.786  458.264   21.797 -0.4447937 30.81792 
1 1 1   -6   14   22 o  265.884   11.024  885.609   73.194  896.713  103.285  874.406  103.740  266.661   15.578  263.265   15.854 3.395294 22.22665 
1 1 1   -6   14   23 o  529.111   17.271  3527.25  228.206  3566.51  322.590  3487.92  322.874  529.687   24.388  523.703   24.689 5.983948 34.70327 
1 1 1   -6   14   24 o  197.856   10.073  491.731   49.604  519.562   69.954  463.585   70.349  202.860   13.893  191.412   14.833 11.44743 20.32339 
1 1 1   -6   14   25 o  187.378   10.060  441.309   46.900  457.575   66.174  424.892   66.481  190.227   14.029  183.161   14.658 7.065323 20.28980 
1 1 1   -6   14   26 o  207.566   9.3033  539.851   48.222  518.071   67.988  561.899   68.406  202.496   13.523  211.007   13.046 -8.510681 18.79014 
1 1 1   -6   14   27 o  188.841   11.022  449.145   51.751  539.368   95.005  411.081   61.709  205.449   18.723  180.175   13.821 25.27397 23.27181 
1 1 1   -6   14   28 o  234.598   15.354  697.546   89.456  540.863  130.257  837.408  123.067  203.390   26.259  256.060   19.390 -52.66982 32.64252 
1 1 1   -6   14   29 o  274.804   23.398  974.113  159.036  974.113  159.036   0.0000   0.0000  274.804   23.398  ?   ?  0.000000 23.39784 
1 1 1   -6   14   30 o  234.104   11.968  690.909   69.732  730.853  127.851  673.995   83.196  238.248   21.728  230.693   14.516 7.555084 26.13098 
1 1 1   -6   14   31 o  294.496   13.235  1092.51   97.330  1122.38  175.625  1079.27  116.929  294.616   24.082  291.659   16.117 2.957550 28.97753 
1 1 1   -6   14   32 o  357.024   15.248  1610.68  135.949  1637.05  242.061  1598.54  164.310  354.243   27.581  354.173   18.644 0.7043457E-01 33.29111 
1 1 1   -6   14   33 o  504.582   19.541  3243.39  246.224  3262.37  432.562  3234.28  299.476  494.076   35.292  501.398   23.918 -7.322510 42.63306 
1 1 1   -6   14   34 o  198.401   12.176  497.300   60.031  518.410  121.780  490.523   68.997  198.959   25.068  196.637   14.146 2.321442 28.78336 
1 1 1   -6   14   35 o  497.292   18.277  3146.91  226.974  3538.87  403.163  2965.03  274.632  517.201   31.364  480.140   22.905 37.06158 38.83712 
1 1 1   -6   14   36 o  166.960   21.418  363.066   87.240   0.0000   0.0000  363.066   87.240  ?   ?   166.960   21.418 0.000000 21.41829 
1 1 1   -6   14   37 o  195.772   16.469  490.437   79.764  589.329  134.138  436.341   99.210  211.186   25.983  182.758   22.194 28.42813 34.17148 
1 1 1   -6   14   38 o  332.801   13.991  1403.33  116.275  1712.50  224.047  1289.36  136.028  361.185   24.994  317.377   17.228 43.80774 30.35631 
1 1 1   -6   14   39 o  148.706   12.664  281.944   46.580  322.644  122.932  275.121   50.334  151.002   33.479  146.568   13.919 4.433563 36.25745 
1 1 1   -6   14   40 o  199.658   12.390  507.479   61.468  561.166  146.373  495.984   67.730  201.231   30.049  196.901   13.863 4.330063 33.09266 
1 1 1   -6   14   41 f  209.403   12.952  560.673   67.397  527.939  156.320  568.147   74.696  190.815   34.055  210.259   14.311 -19.44420 36.94002 
1 1 1   -6   14   42 o  148.551   16.410  289.151   59.858  239.030  134.444  301.543   66.849  123.515   38.983  150.995   18.089 -27.47975 42.97573 
1 1 1   -6   14   43 o  162.609   12.473  340.386   50.262  239.950  146.495  353.786   53.510  121.013   40.851  165.564   13.048 -44.55182 42.88418 
1 1 1   -6   14   44 o  131.464   13.312  224.814   43.099  104.933  148.059  235.912   45.050   93.370   38.720  134.588   13.590 -41.21781 41.03529 
1 1 1   -6   14   45 o   96.060   13.986  121.897   32.565   88.209  153.694  123.481   33.321   90.266   38.544   96.598   14.241 -6.332397 41.09076 
1 1 1   -6   14   46 o  174.281   12.624  394.538   54.568  665.257  186.459  369.180   57.066  198.649   38.980  167.970   13.725 30.67934 41.32555 
1 1 1   -6   14   47 o  115.189   13.450  175.192   37.959   0.0000   0.0000  175.192   37.959  ?   ?   115.189   13.450 0.000000 13.44961 
1 1 1   -6   14   48 o   86.773   21.637  110.257   46.725  256.861  203.897  102.132   48.002  107.455   45.067   83.047   22.561 24.40841 50.39898 
1 1 1   -6   15    1 o  243.423   9.3214  741.159   56.662  683.592   80.124  798.749   80.141  233.126   13.825  252.188   12.767 -19.06128 18.81841 
1 1 1   -6   15    2 o  451.640   14.939  2557.81  168.489  2598.52  238.341  2517.13  238.218  454.272   21.010  447.041   21.339 7.230255 29.94645 
1 1 1   -6   15    3 o  372.857   12.929  1741.16  120.381  1714.87  170.071  1767.55  170.417  369.448   18.434  375.110   18.193 -5.662048 25.89997 
1 1 1   -6   15    4 o  352.461   12.476  1555.39  109.810  1533.67  155.046  1577.24  155.544  349.042   17.848  354.450   17.573 -5.407654 25.04714 
1 1 1   -6   15    5 o  140.665   8.9363  248.389   31.227  203.700   43.209  297.250   45.181  126.769   13.876  153.654   11.867 -26.88449 18.25834 
1 1 1   -6   15    6 o  697.011   21.586  6113.37  375.712  6436.10  531.640  5791.37  531.036  712.649   29.874  675.462   31.483 37.18652 43.40057 
1 1 1   -6   15    7 o  455.511   30.636  2642.02  346.453   0.0000   0.0000  2642.02  346.453  ?   ?   455.511   30.636 0.000000 30.63571 
1 1 1   -6   15    8 o  439.376   29.736  2455.74  324.339  2455.74  324.339   0.0000   0.0000  439.376   29.736  ?   ?  0.000000 29.73559 
1 1 1   -6   15    9 o  553.992   17.499  3850.94  242.081  3787.79  341.980  3914.36  342.729  548.034   24.989  557.193   24.632 -9.159851 35.08778 
1 1 1   -6   15   10 o  615.881   19.369  4764.58  297.888  4866.65  421.213  4662.45  421.341  620.643   27.178  607.323   27.782 13.32043 38.86457 
1 1 1   -6   15   11 o  165.624   9.2089  344.034   37.937  361.401   53.118  325.951   54.201  169.445   12.644  160.760   13.630 8.685577 18.59170 
1 1 1   -6   15   12 o  670.089   20.734  5645.63  346.949  5724.86  490.578  5566.34  490.743  672.478   29.213  662.968   29.642 9.509949 41.61818 
1 1 1   -6   15   13 o  894.095   27.252 10103.92  608.462 10033.56  860.219 10174.38  860.772  885.416   38.906  891.749   38.654 -6.332397 54.84319 
1 1 1   -6   15   14 o  188.644   9.4953  446.134   44.587  435.794   62.511  456.843   63.616  186.044   13.548  190.518   13.458 -4.473663 19.09639 
1 1 1   -6   15   15 o  579.753   18.293  4221.38  264.841  4277.29  374.423  4165.41  374.661  581.907   25.767  574.151   26.131 7.755737 36.69832 
1 1 1   -6   15   16 o  272.905   10.785  931.912   73.496  924.996  103.469  938.955  104.415  271.166   15.343  273.206   15.367 -2.040497 21.71529 
1 1 1   -6   15   17 o  675.632   21.177  5749.80  357.286  5954.94  505.355  5544.78  505.203  684.749   29.554  660.330   30.638 24.41852 42.56863 
1 1 1   -6   15   18 o  351.486   12.631  1547.73  110.869  1647.43  156.665  1447.70  156.921  362.096   17.326  338.773   18.621 23.32358 25.43444 
1 1 1   -6   15   19 o  259.918   10.458  845.613   67.881  838.614   95.634  852.719   96.366  258.086   14.902  260.257   14.889 -2.170868 21.06581 
1 1 1   -6   15   20 o   94.831   9.9537  113.790   23.220  102.643   32.257  125.776   33.450   89.221   15.011   99.180   13.887 -9.958450 20.44927 
1 1 1   -6   15   21 o  281.093   10.995  989.791   77.175  947.614  108.887  1032.36  109.398  274.084   15.978  286.225   15.362 -12.14087 22.16505 
1 1 1   -6   15   22 o  339.519   12.091  1445.57  102.511  1389.04  144.540  1502.79  145.408  331.572   17.519  345.465   16.855 -13.89252 24.31059 
1 1 1   -6   15   23 o  415.181   14.386  2166.99  149.150  2172.31  210.663  2161.64  211.198  414.281   20.363  413.233   20.467 1.047119 28.87097 
1 1 1   -6   15   24 o  318.992   11.427  1276.56   91.022  1229.53  128.252  1324.30  129.203  311.830   16.529  324.172   15.961 -12.34219 22.97716 
1 1 1   -6   15   25 o  282.821   11.302  1003.80   79.822  992.763  112.614  1014.95  113.158  280.068   16.171  283.215   16.066 -3.147064 22.79502 
1 1 1   -6   15   26 o  171.655   9.8972  370.667   42.245  389.369   59.597  351.780   59.890  175.361   13.719  166.477   14.552 8.883194 19.99954 
1 1 1   -6   15   27 o   84.230   10.976   90.549   22.539   94.208   31.304   86.611   32.478   85.155   15.283   81.348   16.551 3.807434 22.52755 
1 1 1   -6   15   28 o   86.036   15.803   96.375   32.701  125.864   58.663   83.081   39.389   97.188   24.250   79.304   19.917 17.88445 31.38058 
1 1 1   -6   15   29 o  351.484   18.383  1572.14  160.791  1520.49  231.462  1620.30  223.530  341.780   27.349  353.824   25.469 -12.04385 37.37136 
1 1 1   -6   15   30 o  158.320   11.445  316.633   44.942  340.984   86.507  307.631   52.597  161.936   21.959  155.653   13.670 6.283218 25.86613 
1 1 1   -6   15   31 o  190.624   11.725  458.602   55.542  466.927  105.196  455.384   65.401  189.657   22.660  189.540   13.915 0.1172028 26.59167 
1 1 1   -6   15   32 o  402.834   29.355  2127.06  293.260   0.0000   0.0000  2127.06  293.260  ?   ?   402.834   29.355 0.000000 29.35451 
1 1 1   -6   15   33 o  416.728   21.085  2225.30  218.711  2142.88  315.580  2301.49  303.389  402.552   31.648  418.989   29.179 -16.43652 43.04673 
1 1 1   -6   15   34 o  206.760   12.866  540.691   66.099  456.494  128.947  570.700   76.983  185.099   28.836  212.051   14.627 -26.95197 32.33403 
1 1 1   -6   15   35 o  155.049   12.168  304.550   46.734  486.071  108.202  262.921   51.817  193.178   22.874  143.501   14.666 49.67725 27.17194 
1 1 1   -6   15   36 o  397.821   16.896  2010.79  167.848  1770.76  300.970  2119.14  202.214  362.965   33.586  407.042   19.894 -44.07687 39.03581 
1 1 1   -6   15   37 o  101.001   25.306  137.866   63.696   0.0000   0.0000  137.866   63.696  ?   ?   101.001   25.306 0.000000 25.30626 
1 1 1   -6   15   38 o  270.266   14.158  928.389   95.223  757.702  185.402  989.548  110.979  235.434   32.393  278.364   16.033 -42.93050 36.14369 
1 1 1   -6   15   39 o  133.486   12.885  227.761   42.417  247.796  117.048  224.732   45.511  131.482   35.022  132.315   13.986 -0.8329926 37.71092 
1 1 1   -6   15   40 o  194.018   12.196  479.070   58.789  631.836  144.522  448.780   64.353  215.317   27.507  187.241   13.862 28.07605 30.80240 
1 1 1   -6   15   41 o   80.538   15.889   86.160   30.821   80.209  121.225   86.571   31.868   88.948   35.726   80.606   16.391 8.342834 39.30615 
1 1 1   -6   15   42 f  184.999   13.272  440.131   60.904  195.534  149.645  488.690   66.676  113.399   41.066  194.758   13.799 -81.35900 43.32244 
1 1 1   -6   15   43 f  130.377   16.952  225.314   53.886  181.707  140.711  232.808   58.332  108.550   39.743  132.006   18.178 -23.45629 43.70282 
1 1 1   -6   15   44 o  228.200   13.214  672.860   74.981  801.715  189.883  649.057   81.613  229.199   34.224  223.211   14.724 5.988068 37.25753 
1 1 1   -6   15   45 o  110.681   14.188  161.316   38.310 -18.6914  157.313  172.665   39.499   77.691   35.652  114.596   14.100 -36.90479 38.33897 
1 1 1   -6   15   46 o  125.726   13.554  207.419   41.881  212.472  173.774  207.107   43.153  109.019   43.106  125.424   14.017 -16.40555 45.32743 
1 1 1   -6   15   47 o   59.455   16.695   48.636   25.805  101.257  180.135   47.534   26.074   91.136   40.272   58.818   16.874 32.31887 43.66375 
1 1 1   -6   15   48 o   57.561   16.398   45.803   24.710   0.0000   0.0000   45.803   24.710  ?   ?    57.561   16.398 0.000000 16.39791 
1 1 1   -6   16    1 o  422.220   20.171  2248.56  212.670  2321.06  301.177  2176.47  300.345  425.950   28.479  412.097   29.378 13.85358 40.91603 
1 1 1   -6   16    2 o  255.593   10.056  817.605   64.186  789.014   90.741  846.235   90.805  250.342   14.578  259.361   14.073 -9.019226 20.26263 
1 1 1   -6   16    3 o  316.171   11.640  1251.84   91.902  1265.85  129.895  1237.81  130.044  317.045   16.463  313.471   16.673 3.574738 23.43119 
1 1 1   -6   16    4 o  409.812   13.752  2105.21  140.739  2049.14  198.849  2161.50  199.221  403.479   19.736  414.475   19.248 -10.99631 27.56774 
1 1 1   -6   16    5 o  157.897   8.8084  312.742   34.593  285.950   48.171  341.274   49.709  150.531   12.940  164.635   12.177 -14.10399 17.76919 
1 1 1   -6   16    6 o   61.770   12.089   49.426   17.980   41.221   24.457   59.077   26.524   56.714   16.363   67.280   16.017 -10.56594 22.89770 
1 1 1   -6   16    7 o  563.460   17.984  3988.27  253.053  3986.74  357.652  3989.80  358.089  561.636   25.501  561.845   25.523 -0.2095947 36.07901 
1 1 1   -6   16    8 o  568.716   18.213  4063.19  258.659  4056.44  365.460  4069.97  366.138  566.498   25.834  567.440   25.839 -0.9425049 36.53823 
1 1 1   -6   16    9 o  577.392   26.066  4214.31  375.833  4177.50  531.309  4251.17  531.707  569.987   37.538  575.152   37.220 -5.165894 52.86203 
1 1 1   -6   16   10 o  1034.49   45.615 13868.57  1178.38 13798.03  1666.32 13939.14  1666.64  1009.72   66.457  1015.31   66.095 -5.589050 93.72847 
1 1 1   -6   16   11 o  435.219   14.640  2374.28  159.109  2463.77  224.879  2284.58  225.150  442.542   20.349  426.015   21.164 16.52759 29.35972 
1 1 1   -6   16   12 o  706.665   21.116  6286.53  372.626  6110.72  526.417  6463.08  527.530  693.685   30.389  713.712   29.599 -20.02679 42.42143 
1 1 1   -6   16   13 o  268.187   10.507  899.908   70.366  932.573   99.025  866.592  100.008  272.360   14.613  262.427   15.327 9.933136 21.17703 
1 1 1   -6   16   14 o  312.943   11.643  1226.01   90.986  1221.43  128.325  1230.63  129.024  311.509   16.556  312.679   16.584 -1.169952 23.43310 
1 1 1   -6   16   15 o  681.183   21.314  5846.82  362.553  5931.06  512.627  5762.51  512.828  683.006   30.056  673.047   30.512 9.959412 42.82924 
1 1 1   -6   16   16 o  318.175   11.786  1267.75   93.645  1271.79  131.971  1263.65  132.901  317.783   16.689  316.732   16.864 1.051117 23.72536 
1 1 1   -6   16   17 o  240.055   10.176  721.195   61.003  745.642   85.787  696.186   86.765  243.417   14.174  235.086   14.856 8.330933 20.53335 
1 1 1   -6   16   18 o  224.957   9.8766  633.331   55.483  655.802   77.996  610.312   78.941  228.255   13.748  220.073   14.444 8.182373 19.94106 
1 1 1   -6   16   19 o  370.356   13.131  1720.20  121.446  1800.70  171.542  1639.31  171.960  378.161   18.165  360.145   19.190 18.01590 26.42390 
1 1 1   -6   16   20 o  125.012   9.2943  196.671   28.807  180.552   39.829  214.354   41.716  119.180   13.628  130.079   13.017 -10.89878 18.84571 
1 1 1   -6   16   21 f  390.622   13.606  1915.83  132.721  2055.60  187.733  1776.17  187.657  403.641   18.625  374.355   20.148 29.28622 27.43781 
1 1 1   -6   16   22 f  142.343   9.3095  254.786   32.909  252.929   45.839  256.760   47.275  141.326   13.139  142.353   13.459 -1.026962 18.80865 
1 1 1   -6   16   23 o  231.802   10.010  673.328   57.942  669.247   81.708  677.457   82.179  230.236   14.282  231.650   14.276 -1.414444 20.19342 
1 1 1   -6   16   24 o  189.465   9.9169  451.160   46.757  475.157   65.752  426.611   66.503  193.896   13.667  183.504   14.634 10.39209 20.02377 
1 1 1   -6   16   25 o  313.620   11.776  1235.31   92.228  1199.97  129.938  1271.19  130.929  307.682   16.977  316.809   16.607 -9.126556 23.74934 
1 1 1   -6   16   26 o  186.542   9.9899  437.673   46.367  417.260   64.914  458.936   66.253  181.396   14.450  190.372   14.035 -8.975906 20.14464 
1 1 1   -6   16   27 o  275.510   11.136  953.297   76.617  1006.41  108.226  899.937  108.481  281.921   15.431  266.302   16.392 15.61810 22.51306 
1 1 1   -6   16   28 o  135.064   9.6221  229.941   32.241  211.559   44.939  249.438   46.282  128.777   14.211  140.108   13.391 -11.33113 19.52648 
1 1 1   -6   16   29 o  255.901   16.120  831.433  102.486  634.370  148.852  1009.05  141.316  219.672   27.754  280.709   20.297 -61.03751 34.38385 
1 1 1   -6   16   30 o  327.526   17.420  1363.91  141.967  1370.89  205.613  1357.55  196.256  325.057   25.536  323.974   24.438 1.083466 35.34554 
1 1 1   -6   16   31 o  139.848   12.233  247.932   42.289  237.488   85.145  251.353   48.724  133.352   26.502  140.477   14.079 -7.125916 30.00998 
1 1 1   -6   16   32 o  430.113   21.300  2365.53  228.772  2428.39  325.303  2304.02  321.791  429.584   30.523  418.021   31.048 11.56274 43.53899 
1 1 1   -6   16   33 o  138.829   13.606  245.328   46.562  153.909   94.465  274.666   53.515  107.230   32.479  146.725   14.808 -39.49516 35.69563 
1 1 1   -6   16   34 o  176.104   12.422  392.477   54.279  343.074  109.094  408.731   62.574  160.106   28.322  179.395   14.081 -19.28897 31.62956 
1 1 1   -6   16   35 o  190.451   16.732  463.685   78.770  428.907  121.567  488.853  103.415  179.394   28.056  194.094   21.708 -14.69958 35.47366 
1 1 1   -6   16   36 o  334.470   15.078  1416.71  125.935  1315.22  230.836  1459.72  150.268  314.792   29.716  338.111   17.861 -23.31882 34.67095 
1 1 1   -6   16   37 o  177.830   12.873  401.361   56.778  396.475  127.146  402.578   63.457  170.468   31.011  177.734   14.422 -7.266556 34.20007 
1 1 1   -6   16   38 o  114.290   24.751  176.792   68.596   0.0000   0.0000  176.792   68.596  ?   ?   114.290   24.751 0.000000 24.75129 
1 1 1   -6   16   39 o  199.321   12.446  504.879   61.640  649.590  142.803  471.743   68.334  219.908   26.541  192.088   14.349 27.82053 30.17159 
1 1 1   -6   16   40 o  135.666   13.584  236.470   45.402   49.608  124.900  264.920   48.736   85.034   35.437  143.616   13.758 -58.58215 38.01414 
1 1 1   -6   16   41 o  106.621   13.902  147.575   36.134  227.969  126.398  140.420   37.708  122.905   37.642  103.638   15.007 19.26675 40.52294 
1 1 1   -6   16   42 o   90.251   15.079  107.555   32.785   5.4405  127.755  114.754   33.921   76.908   33.953   93.289   15.075 -16.38151 37.14927 
1 1 1   -6   16   43 o  108.058   13.852  152.562   36.518  295.469  139.979  142.125   37.828  134.845   39.216  103.838   15.025 31.00668 41.99587 
1 1 1   -6   16   44 o  121.692   17.401  198.277   51.374  169.340  151.641  202.029   54.603  104.868   40.616  122.372   18.441 -17.50425 44.60623 
1 1 1   -6   16   45 f  130.012   13.787  221.149   44.077  283.837  165.625  216.371   45.726  125.174   43.403  128.266   14.532 -3.091553 45.77169 
1 1 1   -6   16   46 o   62.658   17.068   53.904   27.431   52.391  171.334   53.944   27.789   86.571   38.702   62.669   17.224 23.90199 42.36145 
1 1 1   -6   16   47 o  132.408   13.356  230.503   43.557  257.066  198.923  229.165   44.640  112.283   45.529  131.817   13.764 -19.53394 47.56438 
1 1 1   -6   16   48 o   62.152   17.074   53.895   27.313   45.933  204.736   54.039   27.559   85.423   39.717   62.218   17.175 23.20484 43.27132 
1 1 1   -6   17    1 f   91.031   9.3180  104.825   20.883  101.736   30.357  107.600   28.774   88.911   14.146   91.706   12.923 -2.794441 19.16060 
1 1 1   -6   17    2 o  191.875   9.0542  460.773   43.383  474.772   61.590  446.988   61.118  194.126   12.776  188.294   13.079 5.831924 18.28400 
1 1 1   -6   17    3 f  457.599   21.518  2647.40  245.889  2767.65  348.042  2527.57  347.439  464.188   30.189  442.916   31.621 21.27264 43.71796 
1 1 1   -6   17    4 o  308.026   11.003  1188.34   84.635  1131.31  119.524  1245.69  119.860  299.605   16.034  314.924   15.241 -15.31918 22.12170 
1 1 1   -6   17    5 o  164.757   9.2118  340.686   37.748  329.297   52.679  352.705   54.118  161.527   13.175  167.221   13.064 -5.694046 18.55341 
1 1 1   -6   17    6 o  597.218   27.031  4529.42  403.132   0.0000   0.0000  4529.42  403.132  ?   ?   597.218   27.031 0.000000 27.03108 
1 1 1   -6   17    7 o  600.841   26.944  4581.59  404.267  4581.59  404.267   0.0000   0.0000  600.841   26.944  ?   ?  0.000000 26.94378 
1 1 1   -6   17    8 o  218.667   9.7720  598.275   53.360  579.587   74.702  617.744   76.247  214.534   14.021  221.534   13.852 -6.999969 19.70971 
1 1 1   -6   17    9 o   91.850   9.8780  106.772   22.301   72.206   30.489  146.540   32.703   74.358   16.814  107.446   12.417 -33.08868 20.90199 
1 1 1   -6   17   10 o  247.757   10.349  768.200   64.029  744.350   89.907  792.744   91.207  243.133   14.880  250.976   14.616 -7.843277 20.85751 
1 1 1   -6   17   11 o  644.725   23.329  5251.06  375.595  5045.20  459.950  5663.10  650.713  629.873   29.242  661.299   39.586 -31.42615 49.21531 
1 1 1   -6   17   12 o  450.445   21.191  2558.21  238.366  2564.85  337.109  2551.57  337.091  447.800   30.325  446.606   30.406 1.193726 42.94373 
1 1 1   -6   17   13 o  811.291   35.880  8453.41  726.905  8764.79  1028.63  8142.78  1027.37  813.417   50.896  782.120   52.914 31.29767 73.41833 
1 1 1   -6   17   14 f  242.734   10.108  737.383   61.269  734.470   85.888  740.402   87.427  241.556   14.302  242.505   14.503 -0.9491882 20.36916 
1 1 1   -6   17   15 o  402.678   13.637  2033.48  137.133  2076.66  193.536  1989.94  194.337  406.080   19.085  397.422   19.582 8.658813 27.34403 
1 1 1   -6   17   16 f  572.306   18.287  4123.25  261.347  4160.99  369.329  4085.39  369.873  572.597   25.829  567.271   26.110 5.325378 36.72742 
1 1 1   -6   17   17 o  171.071   9.3932  367.340   39.974  384.604   55.699  349.003   57.403  174.666   12.860  166.190   13.961 8.475845 18.98155 
1 1 1   -6   17   18 o  263.035   12.583  867.626   82.648  835.736  143.599  883.422  101.065  255.949   22.703  264.703   15.355 -8.753815 27.40813 
1 1 1   -6   17   19 f  362.395   12.930  1647.81  117.013  1742.42  165.202  1552.55  165.764  371.845   17.791  350.272   19.022 21.57300 26.04560 
1 1 1   -6   17   20 o  266.065   10.857  887.163   72.136  979.644  101.898  794.254  102.134  278.783   14.689  250.632   16.409 28.15086 22.02315 
1 1 1   -6   17   21 o  333.320   12.322  1394.38  102.561  1464.96  144.674  1323.07  145.414  340.863   16.996  323.241   18.087 17.62250 24.82003 
1 1 1   -6   17   22 o  241.041   10.581  728.426   63.692  747.674   89.501  708.679   90.657  243.289   14.802  236.718   15.420 6.571487 21.37510 
1 1 1   -6   17   23 o  278.577   10.985  973.608   76.420  998.160  107.618  948.635  108.537  281.015   15.394  273.811   15.943 7.203796 22.16189 
1 1 1   -6   17   24 o  331.565   12.289  1381.47  101.752  1365.37  143.501  1397.74  144.300  328.083   17.579  331.992   17.467 -3.909119 24.78165 
1 1 1   -6   17   25 o  299.082   11.982  1124.10   89.486  1168.93  126.465  1079.16  126.640  303.614   16.745  291.485   17.479 12.12866 24.20544 
1 1 1   -6   17   26 o  215.253   9.2184  580.847   49.551  554.314   69.332  608.551   70.845  209.410   13.327  219.521   12.981 -10.11052 18.60466 
1 1 1   -6   17   27 o  247.639   10.633  769.933   65.756  796.256   92.556  743.107   93.437  250.758   14.847  242.052   15.540 8.706467 21.49264 
1 1 1   -6   17   28 o  235.886   15.084  705.452   88.385  638.549  129.554  763.702  120.886  221.865   23.753  244.103   20.007 -22.23842 31.05602 
1 1 1   -6   17   29 o  285.722   16.531  1036.93  117.447  927.980  169.981  1136.45  162.464  266.970   25.819  297.248   22.044 -30.27747 33.94967 
1 1 1   -6   17   30 o  549.770   25.813  3905.51  354.381  3855.27  504.072  3954.61  498.320  534.777   37.993  542.680   36.992 -7.902954 53.02734 
1 1 1   -6   17   31 o  200.033   14.247  507.448   70.702   0.0000   0.0000  507.448   70.702  ?   ?   200.033   14.247 0.000000 14.24710 
1 1 1   -6   17   32 o  317.754   14.832  1275.67  117.690  1219.86  208.673  1301.71  142.520  305.211   27.680  319.640   17.928 -14.42896 32.97840 
1 1 1   -6   17   33 o  101.620   14.564  133.007   35.901   52.442   79.155  153.873   40.282   75.965   29.366  109.315   15.165 -33.35091 33.05055 
1 1 1   -6   17   34 o  240.737   12.611  732.169   75.547  744.146  143.275  727.557   88.911  238.980   24.348  239.411   14.946 -0.4306488 28.56983 
1 1 1   -6   17   35 o  102.104   14.720  134.460   36.448  137.913   90.663  133.794   39.806  101.937   31.990  101.508   16.252 0.4287415 35.88133 
1 1 1   -6   17   36 o  213.537   13.357  578.029   70.866  502.679  139.340  604.318   82.305  193.340   29.819  217.875   15.223 -24.53539 33.48053 
1 1 1   -6   17   37 f  262.342   14.048  873.692   91.696  741.042  174.392  924.379  107.801  234.459   30.508  269.175   16.112 -34.71606 34.50147 
1 1 1   -6   17   38 o   80.187   26.713   81.877   62.647   0.0000   0.0000   81.877   62.647  ?   ?    80.187   26.713 0.000000 26.71349 
1 1 1   -6   17   39 o  172.344   22.651  394.117   95.124   0.0000   0.0000  394.117   95.124  ?   ?   172.344   22.651 0.000000 22.65123 
1 1 1   -6   17   40 o  155.000   13.571  308.128   51.998  176.688  132.938  331.869   56.499  111.713   38.877  160.697   14.226 -48.98339 41.39802 
1 1 1   -6   17   41 o   91.405   15.415  110.100   33.935   56.642  122.743  114.524   35.311   84.711   35.202   93.168   15.738 -8.457626 38.55952 
1 1 1   -6   17   42 o   65.635   17.199   58.129   28.531 -61.9846  125.764   64.646   29.294   67.808   31.388   69.180   17.063 -1.372581 35.72657 
1 1 1   -6   17   43 o  103.185   14.934  140.331   37.361   0.0000   0.0000  140.331   37.361  ?   ?   103.185   14.934 0.000000 14.93365 
1 1 1   -6   17   44 o  109.458   14.372  157.552   38.335  136.647  153.883  158.935   39.583   99.158   40.101  109.775   14.818 -10.61717 42.75166 
1 1 1   -6   17   45 o   72.877   19.200   73.705   35.429  241.857  161.083   65.157   36.319  117.035   42.572   68.642   19.979 48.39344 47.02739 
1 1 1   -6   17   46 o  154.452   13.711  312.282   52.333  337.164  189.501  310.228   54.450  129.890   46.312  153.600   14.363 -23.70918 48.48765 
1 1 1   -6   17   47 o   79.400   16.288   86.430   31.213  269.170  195.302   81.641   31.619  114.343   45.543   76.878   16.928 37.46539 48.58753 
1 1 1   -6   17   48 o  175.319   13.776  406.123   59.826  298.629  224.892  414.309   62.062  112.386   47.243  176.803   14.176 -64.41756 49.32409 
1 1 1   -6   18    1 o  189.479   9.1602  449.743   43.343  421.904   61.727  476.818   60.874  182.663   13.631  194.415   12.607 -11.75255 18.56663 
1 1 1   -6   18    2 o  174.532   9.0159  382.471   39.161  400.041   55.891  365.527   54.885  178.038   12.654  170.088   13.021 7.949371 18.15655 
1 1 1   -6   18    3 o  239.148   10.052  716.535   60.028  714.285   85.082  718.764   84.704  237.922   14.388  238.689   14.276 -0.7667847 20.26887 
1 1 1   -6   18    4 o  209.261   9.3659  548.288   48.943  513.984   68.916  583.193   69.518  201.824   13.756  215.156   13.000 -13.33134 18.92688 
1 1 1   -6   18    5 f  237.169   20.955  716.921  122.830   0.0000   0.0000  716.921  122.830  ?   ?   237.169   20.955 0.000000 20.95497 
1 1 1   -6   18    6 o  259.660   13.892  848.903   89.751  848.903   89.751   0.0000   0.0000  259.660   13.892  ?   ?  0.000000 13.89185 
1 1 1   -6   18    7 o  228.604   9.6679  654.206   55.191  574.568   77.351  736.794   78.771  213.395   14.603  241.997   13.084 -28.60190 19.60708 
1 1 1   -6   18    8 o  394.820   13.492  1955.91  133.027  1897.27  187.646  2015.15  188.613  387.851   19.374  399.817   18.891 -11.96625 27.05990 
1 1 1   -6   18    9 o  195.629   9.3891  478.961   45.868  466.755   64.046  491.813   65.721  192.427   13.412  197.550   13.401 -5.122940 18.96006 
1 1 1   -6   18   10 o  657.260   20.708  5454.24  339.877  5431.48  480.359  5477.06  480.958  652.180   29.495  654.954   29.407 -2.774109 41.64974 
1 1 1   -6   18   11 o  388.560   13.567  1894.14  131.638  1907.94  185.724  1880.21  186.608  389.060   19.116  385.687   19.438 3.373016 27.26257 
1 1 1   -6   18   12 o  757.294   23.333  7262.48  441.254  6985.36  623.340  7540.81  624.717  737.007   33.869  766.546   32.636 -29.53931 47.03413 
1 1 1   -6   18   13 f  340.108   11.730  1449.56   99.628  1270.60  139.853  1633.95  141.961  317.202   17.727  360.565   15.767 -43.36322 23.72373 
1 1 1   -6   18   14 o  374.077   18.438  1763.25  172.232  1732.53  243.633  1793.94  243.515  368.068   26.688  374.727   26.188 -6.659790 37.39057 
1 1 1   -6   18   15 o  307.962   16.285  1196.17  124.791  1212.62  176.934  1179.89  176.031  308.520   23.134  304.250   23.347 4.270721 32.86742 
1 1 1   -6   18   16 o  427.266   20.426  2306.86  217.940  2274.88  308.544  2338.71  307.885  420.607   29.564  426.695   29.068 -6.087891 41.46039 
1 1 1   -6   18   17 o  455.980   15.137  2614.00  172.355  2681.47  243.231  2545.96  244.265  460.320   21.160  448.350   21.817 11.97046 30.39258 
1 1 1   -6   18   18 o  293.645   11.252  1080.95   82.510  1079.48  115.927  1082.47  117.462  292.432   15.935  292.800   16.127 -0.3683167 22.67170 
1 1 1   -6   18   19 o  223.868   10.096  627.904   56.439  659.840   78.993  594.602   80.667  228.728   13.896  216.900   14.985 11.82837 20.43630 
1 1 1   -6   18   20 o  286.557   11.285  1029.97   80.757  1070.86  113.382  987.865  115.050  291.170   15.651  279.431   16.562 11.73941 22.78690 
1 1 1   -6   18   21 o  317.111   12.007  1262.52   95.081  1324.07  133.985  1200.08  134.951  323.517   16.641  307.707   17.636 15.81097 24.24784 
1 1 1   -6   18   22 o  365.455   13.210  1679.48  120.552  1832.49  170.387  1526.12  170.585  380.606   17.927  346.304   19.808 34.30191 26.71583 
1 1 1   -6   18   23 o  217.411   10.091  592.795   54.785  643.432   76.918  540.658   78.049  225.681   13.713  206.503   15.243 19.17767 20.50388 
1 1 1   -6   18   24 o  299.769   11.624  1128.96   87.018  1148.72  122.419  1108.78  123.716  301.049   16.345  295.622   16.828 5.427673 23.45965 
1 1 1   -6   18   25 o  217.262   10.478  592.471   56.848  675.793   79.999  507.476   80.798  231.167   13.923  199.687   16.346 31.48042 21.47233 
1 1 1   -6   18   26 o  120.902   9.6017  184.481   28.750  187.785   39.602  180.799   41.805  121.404   13.279  118.890   14.373 2.513809 19.56828 
1 1 1   -6   18   27 o  131.374   10.023  217.836   32.632  220.935   45.429  214.532   46.905  131.641   14.036  129.554   14.762 2.086411 20.36943 
1 1 1   -6   18   28 f  318.485   17.379  1289.96  137.693  1192.99  197.867  1381.02  191.734  302.633   26.448  327.089   23.633 -24.45596 35.46826 
1 1 1   -6   18   29 o  166.268   14.820  351.846   60.888  208.790   92.889  459.617   80.624  123.988   30.266  189.639   17.213 -65.65092 34.81795 
1 1 1   -6   18   30 o  271.670   16.920  939.100  114.219  734.463  167.278  1117.84  156.336  235.742   29.028  294.905   21.374 -59.16284 36.04841 
1 1 1   -6   18   31 o  427.930   31.029  2416.40  329.333  2416.40  329.333   0.0000   0.0000  427.930   31.029  ?   ?  0.000000 31.02942 
1 1 1   -6   18   32 o  371.872   15.747  1750.38  146.231  1785.37  257.650  1733.75  177.608  369.189   28.159  368.346   19.377 0.8428345 34.18184 
1 1 1   -6   18   33 o  139.626   12.689  247.611   43.760  317.353   93.348  227.968   49.540  154.955   24.973  133.434   15.135 21.52182 29.20126 
1 1 1   -6   18   34 o  150.929   13.469  289.668   50.232  233.957  101.668  307.660   57.777  130.662   31.522  155.232   15.096 -24.56915 34.95043 
1 1 1   -6   18   35 o  148.208   13.133  279.281   48.103  261.318  102.274  284.384   54.509  138.343   30.432  149.204   14.826 -10.86093 33.85102 
1 1 1   -6   18   36 o  175.014   13.175  388.957   57.157  372.540  118.799  393.902   65.199  165.804   29.787  175.697   15.004 -9.892303 33.35263 
1 1 1   -6   18   37 o   98.432   16.214  126.353   38.467 -22.9283  102.381  150.890   41.508   68.064   30.204  107.849   15.888 -39.78519 34.12807 
1 1 1   -6   18   38 o   81.186   17.081   87.302   33.533   77.650  102.334   88.463   35.493   86.674   33.422   81.573   17.914 5.100937 37.92067 
1 1 1   -6   18   39 o   90.666   27.340  111.933   67.046   0.0000   0.0000  111.933   67.046  ?   ?    90.666   27.340 0.000000 27.34013 
1 1 1   -6   18   40 o  166.036   23.209  370.484   93.598   0.0000   0.0000  370.484   93.598  ?   ?   166.036   23.209 0.000000 23.20863 
1 1 1   -6   18   41 o  119.805   21.921  195.204   63.167  205.780  125.159  191.589   73.169  116.869   37.691  117.023   25.738 -0.1544418 45.64041 
1 1 1   -6   18   42 o  136.486   20.473  251.422   67.628  296.504  139.347  237.532   77.347  136.623   38.947  130.500   24.638 6.122498 46.08556 
1 1 1   -6   18   43 o   46.328   16.823   23.918   25.139  205.227  137.173   17.617   25.573  113.276   39.487   43.504   16.726 69.77246 42.88362 
1 1 1   -6   18   44 o  120.747   14.260  191.159   42.167   67.569  152.995  201.319   43.867   88.290   38.090  123.874   14.453 -35.58367 40.74012 
1 1 1   -6   18   45 o  109.854   14.784  159.685   39.528  158.640  163.243  159.750   40.740  101.879   41.268  109.667   15.292 -7.787567 44.00987 
1 1 1   -6   18   46 o  210.677   18.533  599.834   96.508  507.930  207.111  625.324  109.073  159.049   48.073  213.119   20.758 -54.07016 52.36364 
1 1 1   -6   18   47 o  100.344   15.394  135.568   37.343  173.792  190.570  134.042   38.081  100.734   42.965   99.559   15.848 1.174568 45.79432 
1 1 1   -6   18   48 o  147.992   13.835  290.153   50.536  522.899  227.450  278.067   51.831  145.495   50.840  144.406   14.572 1.088943 52.88708 
1 1 1   -6   19    1 o   74.560   10.311   71.077   18.684   76.592   28.084   66.698   25.026   76.577   15.222   71.456   14.520 5.120903 21.03703 
1 1 1   -6   19    2 o   77.820   10.368   77.306   19.647   56.737   29.034   94.680   26.684   65.790   17.404   85.834   12.844 -20.04391 21.63006 
1 1 1   -6   19    3 o  285.494   10.867  1022.78   77.474  1034.64  109.872  1011.06  109.259  286.015   15.440  282.705   15.536 3.309814 21.90388 
1 1 1   -6   19    4 o  302.818   11.404  1150.86   86.235  1085.72  122.194  1215.49  121.716  292.782   16.783  310.089   15.770 -17.30658 23.02995 
1 1 1   -6   19    5 o  365.087   12.760  1674.42  116.333  1698.46  164.289  1650.24  164.751  366.610   17.945  360.825   18.345 5.785248 25.66264 
1 1 1   -6   19    6 o  365.084   12.783  1673.94  116.537  1747.76  164.568  1599.70  165.050  372.052   17.713  355.254   18.670 16.79770 25.73574 
1 1 1   -6   19    7 o  292.175   16.150  1078.63  117.372  1152.68  165.242  1003.22  166.747  300.531   22.175  279.700   24.109 20.83115 32.75608 
1 1 1   -6   19    8 o  460.382   15.327  2667.10  176.206  2708.33  248.984  2625.74  249.402  462.171   21.573  454.946   21.953 7.225250 30.77880 
1 1 1   -6   19    9 o  287.410   10.998  1035.45   78.932  1016.03  110.935  1055.36  112.331  283.700   15.720  289.175   15.614 -5.474792 22.15642 
1 1 1   -6   19   10 o  471.848   15.484  2801.16  182.443  2723.06  257.205  2880.25  258.829  463.360   22.229  476.706   21.743 -13.34613 31.09419 
1 1 1   -6   19   11 o  598.986   19.056  4531.25  285.038  4623.32  402.922  4439.02  403.287  601.698   26.816  589.292   27.405 12.40607 38.34237 
1 1 1   -6   19   12 o  401.488   13.680  2024.56  137.152  2007.86  193.430  2041.44  194.499  398.637   19.431  401.971   19.376 -3.333130 27.44094 
1 1 1   -6   19   13 o  159.151   9.0806  318.113   35.939  294.165   49.757  344.234   51.966  152.508   13.195  165.137   12.699 -12.62874 18.31327 
1 1 1   -6   19   14 o   93.983   10.095  111.911   23.320  104.194   31.705  121.006   34.421   89.908   14.624   97.043   14.661 -7.135460 20.70786 
1 1 1   -6   19   15 o  287.803   10.817  1038.22   77.739  964.427  108.872  1114.98  111.038  276.335   15.843  297.354   15.002 -21.01920 21.81909 
1 1 1   -6   19   16 o  244.473   10.290  748.939   62.818  751.014   87.850  746.769   89.861  243.960   14.485  243.198   14.868 0.7616577 20.75753 
1 1 1   -6   19   17 o  328.432   17.046  1364.24  139.321  1358.31  197.611  1370.11  196.455  325.523   24.489  327.031   24.228 -1.507690 34.44886 
1 1 1   -6   19   18 o  291.756   15.862  1075.82  115.135  1080.09  163.600  1071.63  162.061  290.509   22.733  289.403   22.604 1.106079 32.05806 
1 1 1   -6   19   19 o  185.062   19.437  438.443   88.484  438.443   88.484   0.0000   0.0000  185.062   19.437  ?   ?  0.000000 19.43717 
1 1 1   -6   19   20 o  125.997   13.364  201.861   41.406  186.681   61.003  214.829   56.384  119.487   21.222  129.130   17.973 -9.642853 27.81001 
1 1 1   -6   19   21 o  455.305   21.713  2641.01  246.873  2600.66  350.148  2680.89  348.122  445.872   31.654  453.178   30.947 -7.306030 44.26797 
1 1 1   -6   19   22 o  210.492   11.219  557.924   58.759  565.831   72.578  542.881  100.105  211.526   13.816  205.818   19.718 5.708069 24.07686 
1 1 1   -6   19   23 o  143.034   9.9307  257.857   35.251  292.165   48.352  218.936   51.500  151.842   12.873  130.665   16.126 21.17715 20.63375 
1 1 1   -6   19   24 o  296.053   11.339  1101.29   83.832  1091.57  117.189  1111.47  119.971  293.398   16.056  295.999   16.293 -2.601654 22.87491 
1 1 1   -6   19   25 f  291.103   12.789  1066.83   92.968  1096.67  114.510  1009.13  159.241  294.147   15.646  279.700   23.003 14.44687 27.81923 
1 1 1   -6   19   26 o  138.302   14.027  243.654   47.774  162.590   72.207  306.768   63.713  110.004   26.582  154.759   16.754 -44.75558 31.42121 
1 1 1   -6   19   27 o  151.984   13.865  293.682   52.041  259.301   80.007  318.897   68.517  140.287   23.681  157.569   17.720 -17.28233 29.57725 
1 1 1   -6   19   28 o  349.415   18.541  1556.69  161.205  1403.57  230.780  1702.58  225.276  327.117   28.537  362.434   25.044 -35.31686 37.96839 
1 1 1   -6   19   29 o  256.856   16.163  838.626  103.143  699.821  151.392  958.869  140.906  230.934   26.747  273.181   20.812 -42.24734 33.89012 
1 1 1   -6   19   30 o  204.594   19.552  538.145   98.675   0.0000   0.0000  538.145   98.675  ?   ?   204.594   19.552 0.000000 19.55173 
1 1 1   -6   19   31 o  313.816   12.766  1240.79  100.039  1361.90  141.362  1119.30  141.590  327.087   17.369  295.769   19.276 31.31744 25.94688 
1 1 1   -6   19   32 o  495.063   19.555  3126.81  241.748  3381.56  422.832  3003.09  294.657  503.338   33.837  481.643   24.580 21.69458 41.82244 
1 1 1   -6   19   33 o  188.960   12.933  452.233   60.659  468.005  114.601  446.094   71.495  188.751   24.923  187.105   15.440 1.645706 29.31799 
1 1 1   -6   19   34 o   79.674   17.394   83.743   33.636  174.564   81.344   65.012   36.942  113.307   28.713   70.396   20.048 42.91096 35.01941 
1 1 1   -6   19   35 o  393.715   16.332  1968.49  160.575  2049.12  285.280  1931.10  194.272  393.583   29.235  387.794   20.131 5.789185 35.49512 
1 1 1   -6   19   36 o  144.071   13.528  264.657   48.099  255.027  109.078  266.982   53.591  135.515   32.625  144.348   15.090 -8.832291 35.94560 
1 1 1   -6   19   37 o   79.146   17.903   83.181   34.556   75.557   94.313   84.364   37.138   84.760   32.232   79.567   18.960 5.193275 37.39498 
1 1 1   -6   19   38 o  146.989   13.372  276.131   48.546  322.841  114.175  265.823   53.636  152.232   31.085  143.719   15.174 8.512939 34.59127 
1 1 1   -6   19   39 f  166.824   13.260  355.735   54.785  267.400  126.871  375.982   60.739  135.005   36.679  171.204   14.339 -36.19926 39.38192 
1 1 1   -6   19   40 o  188.508   23.508  477.828  108.257   0.0000   0.0000  477.828  108.257  ?   ?   188.508   23.508 0.000000 23.50821 
1 1 1   -6   19   41 o   82.717   25.295   94.195   57.102   94.679  117.794   94.047   65.286   90.546   35.589   83.177   27.249 7.368431 44.82278 
1 1 1   -6   19   42 o  187.830   13.695  455.346   63.794  364.552  150.865  475.115   70.398  150.896   39.555  191.344   14.849 -40.44769 42.25031 
1 1 1   -6   19   43 o  114.342   14.742  171.763   41.114  116.297  135.076  177.426   43.162   94.660   37.820  116.036   15.266 -21.37633 40.78498 
1 1 1   -6   19   44 o   90.436   16.550  110.211   35.999   60.082  139.507  113.787   37.261   84.941   36.508   91.803   16.875 -6.862000 40.21924 
1 1 1   -6   19   45 o  169.993   20.366  395.270   84.733  324.869  176.451  416.370   96.599  131.534   44.831  172.545   22.991 -41.01117 50.38312 
1 1 1   -6   19   46 f   38.712   18.315 -46.1488   46.887   47.753  169.740 -53.9054   48.785   85.495   38.349   38.534   18.359 46.96043 42.51754 
1 1 1   -6   19   47 f  185.683   17.220  465.490   78.936  940.833  219.382  394.798   84.603  233.477   39.003  168.276   20.561 65.20111 44.09102 
1 1 1   -6   19   48 o   71.021   18.280   71.379   32.611   0.0000   0.0000   71.379   32.611  ?   ?    71.021   18.280 0.000000 18.27996 
1 1 1   -6   20    1 o  134.737   9.1047  228.822   30.454  213.038   44.547  242.671   41.728  129.126   14.041  138.269   12.211 -9.143097 18.60802 
1 1 1   -6   20    2 o  130.845   12.407  217.497   40.056  189.966   59.052  240.960   54.515  120.406   20.366  136.989   16.253 -16.58289 26.05630 
1 1 1   -6   20    3 o  136.733   9.0808  235.472   30.830  193.467   44.244  275.117   42.983  122.934   14.704  147.441   11.773 -24.50742 18.83609 
1 1 1   -6   20    4 o  293.697   11.093  1083.60   81.359  1120.64  115.717  1047.38  114.412  297.389   15.637  287.375   16.007 10.01389 22.37677 
1 1 1   -6   20    5 o  269.997   14.671  922.033   98.543  922.033   98.543   0.0000   0.0000  269.997   14.671  ?   ?  0.000000 14.67062 
1 1 1   -6   20    6 o  538.158   17.211  3663.97  231.292  3635.03  326.974  3692.96  327.217  532.417   24.593  536.746   24.413 -4.328186 34.65251 
1 1 1   -6   20    7 o  188.669   9.1836  446.055   43.268  381.802   60.493  513.357   61.912  173.577   14.077  201.740   12.349 -28.16336 18.72607 
1 1 1   -6   20    8 o  205.540   9.5224  529.462   48.876  532.244   67.940  526.478   70.366  205.291   13.325  204.071   13.891 1.220276 19.24831 
1 1 1   -6   20    9 o  654.797   29.869  5544.69  488.398  5771.87  690.584  5317.37  690.815  655.628   42.407  627.097   44.401 28.53162 61.39896 
1 1 1   -6   20   10 o  305.083   11.368  1168.02   86.604  1078.23  121.703  1260.13  123.264  291.792   16.773  316.179   15.612 -24.38666 22.91415 
1 1 1   -6   20   11 o  249.827   10.423  782.565   65.028  824.230   91.308  739.682   92.633  255.516   14.368  241.808   15.421 13.70822 21.07750 
1 1 1   -6   20   12 o  212.943   9.9255  568.314   52.780  580.501   73.720  555.498   75.598  214.395   13.844  209.585   14.534 4.809814 20.07205 
1 1 1   -6   20   13 o  160.067   9.1225  321.969   36.313  300.174   49.692  346.946   53.196  154.006   13.044  165.661   12.962 -11.65498 18.38913 
1 1 1   -6   20   14 o  385.750   13.433  1871.01  129.401  1869.61  182.423  1872.43  183.584  384.263   19.011  384.522   19.119 -0.2594604 26.96188 
1 1 1   -6   20   15 o  403.893   13.848  2052.30  139.673  2040.26  196.815  2064.51  198.246  401.178   19.646  403.547   19.673 -2.369232 27.80233 
1 1 1   -6   20   16 o  145.753   9.2224  267.219   33.394  231.373   45.484  309.133   49.184  134.938   13.688  156.330   12.709 -21.39220 18.67796 
1 1 1   -6   20   17 o  288.832   11.004  1046.89   79.371  990.000  111.105  1106.18  113.426  279.655   15.976  295.794   15.409 -16.13895 22.19617 
1 1 1   -6   20   18 o  255.430   10.670  818.641   68.057  857.768   95.328  777.970   97.192  260.486   14.715  247.799   15.789 12.68672 21.58286 
1 1 1   -6   20   19 o  544.689   17.804  3756.90  242.171  3843.59  342.077  3669.79  342.888  547.215   25.033  534.307   25.699 12.90735 35.87592 
1 1 1   -6   20   20 o  262.125   10.539  862.324   68.983  821.369   96.067  905.923   99.119  254.687   15.174  267.584   14.893 -12.89748 21.26102 
1 1 1   -6   20   21 o  349.867   17.983  1556.05  156.587  1473.73  222.250  1637.20  220.654  336.905   26.634  356.004   24.978 -19.09821 36.51435 
1 1 1   -6   20   22 o  138.811   13.248  244.833   45.365  257.086   67.562  234.774   61.218  140.842   19.753  134.741   18.698 6.100876 27.19912 
1 1 1   -6   20   23 o  491.145   23.455  3096.83  287.670  2891.48  408.081  3299.68  405.585  465.442   35.375  499.680   32.684 -34.23804 48.16251 
1 1 1   -6   20   24 o  197.202   13.998  492.931   68.487  427.933   99.381  551.718   94.514  181.500   22.402  207.597   18.423 -26.09747 29.00449 
1 1 1   -6   20   25 o  258.001   15.342  844.412   98.397  788.334  141.600  896.776  136.831  246.739   23.256  264.164   20.913 -17.42537 31.27612 
1 1 1   -6   20   26 f  518.422   24.332  3463.58  315.003  3492.11  447.371  3435.53  443.614  510.898   35.282  506.731   35.277 4.167206 49.89288 
1 1 1   -6   20   27 o  326.317   17.402  1355.32  141.294  1312.76  202.396  1395.78  197.339  317.586   25.742  328.273   24.244 -10.68689 35.36157 
1 1 1   -6   20   28 o  189.323   14.040  454.841   65.904  449.917   98.930  458.770   88.367  186.251   21.676  188.905   18.990 -2.654037 28.81757 
1 1 1   -6   20   29 o  241.582   20.802  751.468  124.272   0.0000   0.0000  751.468  124.272  ?   ?   241.582   20.802 0.000000 20.80248 
1 1 1   -6   20   30 o  120.934   13.628  186.786   40.440  186.786   40.440   0.0000   0.0000  120.934   13.628  ?   ?  0.000000 13.62848 
1 1 1   -6   20   31 o   92.829   12.138  110.302   27.463  131.961   37.508   85.274   40.320  101.023   15.351   80.172   20.160 20.85093 25.33928 
1 1 1   -6   20   32 o  273.016   11.948  938.497   81.456  1105.05  115.651  774.539  114.748  294.943   15.759  245.833   18.835 49.10966 24.55841 
1 1 1   -6   20   33 o  155.045   13.181  305.425   50.551  253.303   98.660  323.979   58.865  136.419   29.795  159.329   14.970 -22.91054 33.34484 
1 1 1   -6   20   34 o  207.077   12.761  542.888   65.668  484.866  123.624  565.695   77.507  191.266   26.603  210.903   14.810 -19.63762 30.44811 
1 1 1   -6   20   35 o  328.628   15.615  1370.43  128.145  1433.88  231.685  1342.47  153.814  329.039   28.477  323.439   19.129 5.600250 34.30570 
1 1 1   -6   20   36 o  395.459   17.000  1993.71  167.878  1996.07  298.049  1992.61  203.172  385.386   31.239  392.861   20.784 -7.475159 37.52098 
1 1 1   -6   20   37 o  367.208   15.520  1716.55  142.315  1792.86  256.767  1682.71  170.981  366.338   28.287  361.386   19.013 4.951965 34.08294 
1 1 1   -6   20   38 o  227.379   13.715  659.034   77.508  660.461  152.945  658.540   89.909  220.481   28.442  226.462   16.001 -5.980988 32.63413 
1 1 1   -6   20   39 o   99.000   16.400  128.894   39.125  159.968  111.499  124.531   41.782  106.739   35.641   96.826   17.941 9.912918 39.90176 
1 1 1   -6   20   40 o  178.950   15.346  414.036   67.915   0.0000   0.0000  414.036   67.915  ?   ?   178.950   15.346 0.000000 15.34631 
1 1 1   -6   20   41 o   91.451   28.311  118.044   71.283   0.0000   0.0000  118.044   71.283  ?   ?    91.451   28.311 0.000000 28.31120 
1 1 1   -6   20   42 o   97.994   25.008  136.494   61.399  161.954  126.234  128.604   70.272  104.229   37.722   94.438   27.878 9.791107 46.90526 
1 1 1   -6   20   43 o  111.665   15.518  164.942   42.101   71.065  133.228  175.357   44.375   86.290   36.322  115.052   15.867 -28.76258 39.63684 
1 1 1   -6   20   44 o  217.009   13.777  611.509   74.271  721.094  184.575  590.337   81.129  214.614   35.694  212.184   15.417 2.429764 38.88076 
1 1 1   -6   20   45 o  147.899   14.599  287.566   53.213   81.245  162.914  312.207   56.301   89.900   39.044  154.041   14.819 -64.14061 41.76194 
1 1 1   -6   20   46 f  113.426   15.146  171.527   41.829  140.900  172.936  173.430   43.109   97.277   41.188  113.864   15.569 -16.58715 44.03227 
1 1 1   -6   20   47 o  172.764   14.742  395.686   62.993  200.301  200.028  417.197   66.370  103.518   44.082  177.141   15.149 -73.62281 46.61222 
1 1 1   -6   20   48 o   74.501   21.686   81.078   42.788   0.0000   0.0000   81.078   42.788  ?   ?    74.501   21.686 0.000000 21.68619 
1 1 1   -6   21    1 o  170.550   8.9348  366.216   37.920  396.205   55.362  339.711   52.047  176.706   12.629  163.508   12.850 13.19781 18.01757 
1 1 1   -6   21    2 f  142.787   8.9146  256.902   31.627  266.925   46.081  247.976   43.487  144.857   12.873  139.634   12.608 5.223038 18.01851 
1 1 1   -6   21    3 o  217.735   13.676  601.263   73.984   0.0000   0.0000  601.263   73.984  ?   ?   217.735   13.676 0.000000 13.67642 
1 1 1   -6   21    4 o  219.089   19.909  618.337  107.735  618.337  107.735   0.0000   0.0000  219.089   19.909  ?   ?  0.000000 19.90907 
1 1 1   -6   21    5 o  297.227   11.098  1110.87   82.376  1098.65  116.469  1123.10  116.524  294.085   15.919  297.403   15.746 -3.318176 22.39062 
1 1 1   -6   21    6 o  243.819   10.075  746.393   61.342  647.996   86.401  846.400   87.104  225.839   15.412  258.722   13.529 -32.88312 20.50797 
1 1 1   -6   21    7 o  445.057   14.762  2501.55  164.061  2386.33  231.620  2617.58  232.417  431.958   21.473  452.855   20.552 -20.89633 29.72310 
1 1 1   -6   21    8 o  734.557   22.898  6916.52  420.015  6687.03  593.627  7146.57  594.357  711.941   33.390  737.288   32.282 -25.34735 46.44381 
1 1 1   -6   21    9 o  492.748   15.953  3069.59  196.297  3040.02  277.213  3099.33  278.000  487.242   22.783  492.058   22.624 -4.815155 32.10839 
1 1 1   -6   21   10 o  391.789   13.588  1933.59  132.940  2011.54  187.778  1855.27  188.234  397.975   18.895  381.394   19.832 16.58090 27.39210 
1 1 1   -6   21   11 o  674.327   30.858  5933.20  519.623  5811.48  733.752  6055.66  735.968  650.035   45.489  664.782   44.592 -14.74683 63.69985 
1 1 1   -6   21   12 o  360.738   15.039  1642.00  135.472  1540.88  233.894  1693.06  166.185  344.313   27.430  365.411   18.212 -21.09882 32.92585 
1 1 1   -6   21   13 o  355.925   12.822  1593.86  113.960  1613.97  160.613  1573.47  161.719  356.382   18.107  351.744   18.476 4.637939 25.86937 
1 1 1   -6   21   14 o  480.928   15.905  2922.01  191.013  2866.27  269.507  2978.28  270.765  473.413   22.797  482.742   22.461 -9.329132 32.00307 
1 1 1   -6   21   15 o  383.766   13.430  1854.50  128.701  1833.98  181.354  1875.31  182.674  379.514   19.198  384.284   19.036 -4.770203 27.03592 
1 1 1   -6   21   16 o  214.221   9.8333  575.630   52.603  567.564   72.999  584.342   75.868  211.792   13.879  214.842   14.222 -3.049667 19.87184 
1 1 1   -6   21   17 o  144.012   9.2824  261.099   33.204  224.327   45.070  304.748   49.103  132.730   13.800  155.098   12.792 -22.36786 18.81668 
1 1 1   -6   21   18 o  350.657   12.328  1546.85  107.948  1446.30  151.507  1650.53  153.842  337.167   18.060  360.982   17.066 -23.81458 24.84789 
1 1 1   -6   21   19 f  260.495   10.345  851.868   67.295  763.169   93.513  947.142   96.917  245.306   15.343  273.659   14.231 -28.35364 20.92663 
1 1 1   -6   21   20 o  336.916   12.418  1428.65  104.474  1470.10  146.902  1386.23  148.610  340.062   17.357  329.935   18.106 10.12723 25.08178 
1 1 1   -6   21   21 o  175.167   9.8388  386.277   42.863  410.054   59.166  360.014   62.181  179.909   13.263  168.168   14.963 11.74107 19.99522 
1 1 1   -6   21   22 o  331.288   12.342  1381.62  102.103  1412.30  143.394  1350.08  145.416  333.214   17.292  325.535   17.958 7.678345 24.92989 
1 1 1   -6   21   23 o  247.402   10.971  769.277   67.780  833.841   94.758  701.633   96.991  256.461   14.860  234.711   16.656 21.74991 22.32126 
1 1 1   -6   21   24 o  265.287   11.311  884.970   74.931  981.829  105.123  784.937  106.833  278.243   15.187  248.087   17.354 30.15599 23.06074 
1 1 1   -6   21   25 o  138.846   10.568  243.593   36.366  272.526   50.325  211.972   52.610  146.298   13.944  128.233   16.836 18.06537 21.86054 
1 1 1   -6   21   26 f  355.546   13.601  1594.97  120.757  1755.27  169.975  1431.61  171.588  371.413   18.326  333.987   20.675 37.42651 27.62815 
1 1 1   -6   21   27 o  123.394   10.377  192.614   31.678  184.288   43.034  202.461   46.801  119.890   14.681  125.624   15.230 -5.734360 21.15377 
1 1 1   -6   21   28 o  214.511   13.081  582.299   69.737  759.463  124.164  500.658   84.287  242.838   20.672  197.845   17.232 44.99316 26.91238 
1 1 1   -6   21   29 o  127.133   13.442  206.122   42.027  242.929   47.828   81.398   88.043  138.002   14.076   85.649   31.425 52.35283 34.43365 
1 1 1   -6   21   30 f  159.990   10.258  322.871   40.766  363.689   56.132  277.311   59.302  169.268   13.389  146.997   16.437 22.27034 21.19958 
1 1 1   -6   21   31 o  141.659   10.230  253.412   35.945  286.619   49.616  216.729   52.148  150.134   13.374  129.716   16.470 20.41821 21.21609 
1 1 1   -6   21   32 o  173.676   10.602  380.596   45.763  408.576   63.716  350.784   65.769  179.212   14.358  165.556   16.113 13.65633 21.58163 
1 1 1   -6   21   33 o  237.800   10.950  711.408   65.022  768.567   91.476  653.039   92.440  245.933   14.966  226.196   16.479 19.73729 22.26062 
1 1 1   -6   21   34 o  331.832   15.404  1396.42  127.646  1752.18  231.565  1241.14  152.988  366.056   25.491  310.691   19.822 55.36478 32.29123 
1 1 1   -6   21   35 o  143.807   13.540  263.778   48.052  307.573   99.873  250.587   54.813  150.954   27.508  139.543   16.020 11.41135 31.83289 
1 1 1   -6   21   36 o  128.496   14.792  212.258   46.599  201.918  102.397  214.959   52.332  120.128   33.083  128.836   16.656 -8.708054 37.03896 
1 1 1   -6   21   37 o  459.205   19.137  2716.76  219.447  2965.04  388.674  2600.57  265.880  463.959   33.779  444.795   24.026 19.16376 41.45232 
1 1 1   -6   21   38 o  124.317   15.070  199.962   45.828  153.640  111.877  209.301   50.237  105.602   35.699  126.884   16.226 -21.28275 39.21383 
1 1 1   -6   21   39 o  192.709   13.111  474.716   62.719  671.469  134.773  420.327   70.859  223.361   24.569  180.286   15.902 43.07483 29.26611 
1 1 1   -6   21   40 o  182.640   14.207  429.687   64.287  218.471  136.976  489.355   72.804  119.709   39.482  194.598   15.100 -74.88897 42.27141 
1 1 1   -6   21   41 o   99.342   18.333  132.816   43.804   0.0000   0.0000  132.816   43.804  ?   ?    99.342   18.333 0.000000 18.33312 
1 1 1   -6   21   42 o  229.287   24.938  729.522  140.484   0.0000   0.0000  729.522  140.484  ?   ?   229.287   24.938 0.000000 24.93777 
1 1 1   -6   21   43 o  152.662   14.377  304.263   54.163  253.878  142.126  312.824   58.583  122.831   40.204  154.321   15.408 -31.49072 43.05492 
1 1 1   -6   21   44 o   99.306   16.332  132.393   39.093   27.036  137.001  141.732   40.789   79.343   35.088  102.772   16.448 -23.42812 38.75150 
1 1 1   -6   21   45 o  199.361   13.770  518.451   68.133  503.826  175.936  521.032   73.900  169.181   41.870  199.089   14.974 -29.90794 44.46727 
1 1 1   -6   21   46 o  130.490   15.020  226.298   48.051  429.252  176.860  210.123   49.929  149.334   44.264  124.979   16.393 24.35489 47.20230 
1 1 1   -6   21   47 o  101.517   16.561  140.637   40.535  153.575  178.005  139.929   41.629   96.499   41.350  100.973   17.122 -4.473488 44.75472 
1 1 1   -6   22    1 o   84.735   9.8998   91.548   20.553  116.679   32.957   75.554   26.292   94.880   14.359   75.966   14.387 18.91418 20.32594 
1 1 1   -6   22    2 o  170.146   13.333  368.530   56.196   0.0000   0.0000  368.530   56.196  ?   ?   170.146   13.333 0.000000 13.33275 
1 1 1   -6   22    3 o  185.056   10.966  432.846   50.451  431.136   61.333  436.423   88.720  184.133   13.431  183.402   19.679 0.7309265 23.82599 
1 1 1   -6   22    4 o  166.903   9.2239  350.956   38.295  366.902   55.122  336.079   53.241  169.908   13.092  162.541   13.232 7.367325 18.61430 
1 1 1   -6   22    5 o  382.196   19.084  1868.98  182.140  1695.52  258.071  2041.16  257.103  357.334   29.176  394.445   26.252 -37.11115 39.24751 
1 1 1   -6   22    6 o  185.322   13.074  435.682   60.117  410.779   86.459  458.993   83.649  178.115   19.772  188.959   17.942 -10.84464 26.69946 
1 1 1   -6   22    7 o  281.543   10.783  996.957   75.811  1009.81  107.121  984.060  107.304  281.929   15.272  278.227   15.506 3.702301 21.76411 
1 1 1   -6   22    8 o  287.865   11.090  1042.41   79.719  974.883  112.232  1111.16  113.254  276.735   16.313  295.811   15.385 -19.07620 22.42313 
1 1 1   -6   22    9 o  267.014   10.781  896.318   71.885  892.597  101.061  900.130  102.271  265.113   15.331  266.197   15.452 -1.084259 21.76650 
1 1 1   -6   22   10 o  272.713   10.572  934.592   71.997  883.300  101.023  987.530  102.632  263.747   15.406  279.104   14.778 -15.35751 21.34765 
1 1 1   -6   22   11 o  367.109   13.052  1698.91  119.652  1662.67  168.606  1735.68  169.827  360.880   18.774  369.321   18.414 -8.440735 26.29733 
1 1 1   -6   22   12 o  235.518   10.170  696.568   59.811  713.240   83.466  678.970   85.751  237.278   14.151  231.299   14.926 5.978653 20.56762 
1 1 1   -6   22   13 o  180.166   14.471  412.511   64.558  518.271   88.429  291.814   94.468  201.246   17.779  148.030   26.530 53.21632 31.93637 
1 1 1   -6   22   14 o   75.473   18.611   75.295   34.855   55.264   43.441  111.495   58.399   67.105   22.240   91.438   24.903 -24.33359 33.38768 
1 1 1   -6   22   15 o  171.784   9.2569  371.249   39.563  344.170   54.439  401.561   57.597  164.697   13.351  178.042   13.045 -13.34445 18.66661 
1 1 1   -6   22   16 o  246.571   10.434  763.663   64.247  801.787   89.739  723.573   92.022  251.591   14.343  238.667   15.525 12.92384 21.13603 
1 1 1   -6   22   17 o  354.566   12.612  1583.53  111.670  1531.83  156.814  1636.72  159.059  346.653   18.178  358.939   17.745 -12.28528 25.40387 
1 1 1   -6   22   18 o  141.053   9.4776  250.776   33.190  215.349   44.546  294.983   49.761  129.902   13.951  152.409   13.205 -22.50677 19.20927 
1 1 1   -6   22   19 o  174.239   9.5996  382.176   41.607  382.948   57.223  381.310   60.606  173.773   13.288  173.224   14.134 0.5488586 19.39900 
1 1 1   -6   22   20 o  334.167   12.011  1405.73  100.227  1365.62  140.392  1447.43  143.134  327.527   17.226  337.285   17.049 -9.757782 24.23626 
1 1 1   -6   22   21 o  263.645   10.893  873.794   71.714  874.781   99.935  872.746  102.971  262.500   15.312  262.052   15.809 0.4481201 22.00879 
1 1 1   -6   22   22 o  121.712   10.040  187.286   30.244  192.774   40.653  180.482   45.259  122.900   13.467  118.399   15.694 4.500870 20.67997 
1 1 1   -6   22   23 o  108.544   10.289  149.319   27.556  163.212   37.124  132.273   41.121  112.970   13.422  100.780   16.941 12.18958 21.61339 
1 1 1   -6   22   24 o   67.981   13.444   60.310   22.015   63.030   29.408   56.842   33.204   69.114   17.126   66.029   19.070 3.085243 25.63163 
1 1 1   -6   22   25 o  181.286   10.153  414.117   45.779  432.986   63.132  393.194   66.480  184.687   13.788  175.603   15.314 9.084106 20.60642 
1 1 1   -6   22   26 o  442.053   15.391  2474.27  169.899  2652.78  239.667  2293.96  240.883  454.951   21.096  421.494   22.972 33.45679 31.18908 
1 1 1   -6   22   27 o  122.847   10.864  191.208   32.984  198.241   45.119  183.135   48.339  124.347   14.822  119.015   16.726 5.331429 22.34888 
1 1 1   -6   22   28 o  217.027   12.181  595.143   65.748  649.531  107.669  562.803   83.026  224.791   19.370  210.137   15.941 14.65363 25.08567 
1 1 1   -6   22   29 o  203.415   10.723  521.646   54.276  548.386   74.874  492.035   78.791  207.762   14.523  196.319   16.217 11.44331 21.76941 
1 1 1   -6   22   30 o  101.363   11.305  130.855   28.127  128.217   37.505  134.245   42.520   99.450   15.616  101.397   17.420 -1.946541 23.39535 
1 1 1   -6   22   31 o  191.636   10.215  462.815   48.706  431.206   66.988  498.267   70.943  184.035   14.699  197.970   14.450 -13.93588 20.61230 
1 1 1   -6   22   32 o  209.441   11.006  553.437   57.361  644.480   80.033  457.266   82.255  225.285   14.300  188.718   17.659 36.56686 22.72336 
1 1 1   -6   22   33 o  184.974   10.284  431.511   47.318  442.937   65.456  419.004   68.481  186.596   14.153  181.176   15.279 5.420212 20.82664 
1 1 1   -6   22   34 o  192.531   10.847  468.092   51.936  460.172   72.169  476.601   74.800  189.824   15.356  193.123   15.645 -3.298798 21.92178 
1 1 1   -6   22   35 o  132.731   13.954  225.546   45.560  341.633   98.070  193.598   51.449  159.876   25.415  121.999   17.379 37.87731 30.78836 
1 1 1   -6   22   36 o  322.225   15.643  1322.84  125.871  1480.67  228.823  1254.37  150.723  332.888   27.780  311.522   19.473 21.36578 33.92538 
1 1 1   -6   22   37 o  140.047   14.879  252.596   51.238  295.262  114.562  241.926   57.288  144.350   32.557  136.329   17.211 8.021149 36.82662 
1 1 1   -6   22   38 o  183.739   13.846  432.386   63.062  291.240  126.578  478.986   72.731  140.823   35.889  192.947   15.218 -52.12370 38.98256 
1 1 1   -6   22   39 o  254.811   14.532  833.834   92.082  979.693  176.789  779.531  107.870  267.757   26.800  244.670   17.777 23.08720 32.15971 
1 1 1   -6   22   40 o  126.957   15.213  210.292   47.271  185.193  118.679  215.025   51.536  111.198   36.755  127.918   16.519 -16.72047 40.29628 
1 1 1   -6   22   41 o  212.543   14.458  584.786   76.282  507.889  166.844  605.109   85.772  180.248   38.251  215.336   16.066 -35.08806 41.48819 
1 1 1   -6   22   42 f  223.448   25.414  698.677  139.283   0.0000   0.0000  698.677  139.283  ?   ?   223.448   25.414 0.000000 25.41375 
1 1 1   -6   22   43 o   62.788   26.399   23.663   70.244   0.0000   0.0000   23.663   70.244  ?   ?    62.788   26.399 0.000000 26.39894 
1 1 1   -6   22   44 o  201.756   13.913  530.369   69.669  669.778  169.688  502.104   76.406  207.745   33.877  195.102   15.819 12.64276 37.38818 
1 1 1   -6   22   45 o  174.338   14.684  399.900   63.331  223.702  171.444  427.741   68.151  111.010   43.133  179.947   15.312 -68.93607 45.77017 
1 1 1   -6   22   46 o  162.388   14.571  348.525   58.460  417.625  182.853  340.658   61.699  144.100   45.461  159.860   15.656 -15.75987 48.08173 
1 1 1   -6   22   47 o   85.496   18.799  103.101   39.044   0.0000   0.0000  103.101   39.044  ?   ?    85.496   18.799 0.000000 18.79913 
1 1 1   -6   23    1 o  178.888   13.856  408.604   61.413  363.660   87.559  452.123   86.159  166.066   21.627  186.582   18.745 -20.51555 28.62030 
1 1 1   -6   23    2 o  134.162   9.2947  227.448   30.948  240.755   46.900  217.184   41.188  137.073   13.894  130.380   12.816 6.692795 18.90210 
1 1 1   -6   23    3 o  142.793   9.2318  257.413   32.743  288.341   47.727  229.914   45.003  150.428   12.828  134.018   13.637 16.40915 18.72229 
1 1 1   -6   23    4 o  244.263   10.660  751.682   65.026  652.632   92.610  847.998   91.323  225.620   16.553  258.172   14.220 -32.55185 21.82205 
1 1 1   -6   23    5 o  128.726   9.6904  209.541   30.921  209.837   44.514  209.265   42.985  127.909   14.175  127.850   13.676 0.5856323E-01 19.69641 
1 1 1   -6   23    6 o  153.564   9.4101  297.471   35.912  287.490   51.249  307.099   50.337  150.068   13.831  155.311   13.101 -5.243179 19.05095 
1 1 1   -6   23    7 o  118.473   12.888  179.361   37.513  118.096   55.171  232.041   51.159   93.616   23.605  134.311   15.540 -40.69568 28.26121 
1 1 1   -6   23    8 o  112.773   13.168  162.818   36.385   30.596   52.593  284.200   50.391   60.827   23.819  149.295   13.668 -88.46786 27.46151 
1 1 1   -6   23    9 o  431.951   14.559  2363.35  157.042  2369.74  221.727  2356.91  222.456  429.432   20.676  428.193   20.804 1.239868 29.33141 
1 1 1   -6   23   10 o  244.305   10.086  750.270   61.530  671.897   86.255  831.471   87.798  229.757   15.118  256.083   13.780 -26.32617 20.45598 
1 1 1   -6   23   11 o  537.757   17.494  3682.82  234.918  3676.73  331.788  3688.95  332.661  531.929   24.978  532.792   25.003 -0.8627930 35.34193 
1 1 1   -6   23   12 o  207.199   8.9843  538.816   46.486  351.938   64.066  746.609   67.556  165.890   15.650  243.571   11.107 -77.68100 19.19077 
1 1 1   -6   23   13 o  695.057   22.304  6221.81  387.121  6409.08  547.338  6034.37  547.606  694.921   31.541  672.959   32.586 21.96155 45.35024 
1 1 1   -6   23   14 o  207.806   9.6043  542.295   49.839  472.308   69.065  618.341   71.993  192.715   14.457  220.977   13.105 -28.26239 19.51249 
1 1 1   -6   23   15 o  229.869   15.262  672.104   87.112  740.930  119.020  592.695  127.843  239.847   20.056  212.693   24.519 27.15364 31.67657 
1 1 1   -6   23   16 o  207.339   14.703  546.547   75.633  611.234  103.346  471.947  110.983  218.006   19.179  189.745   23.956 28.26050 30.68765 
1 1 1   -6   23   17 o  295.098   11.401  1096.02   84.017  1084.00  117.676  1108.51  119.994  291.866   16.209  295.110   16.346 -3.244263 23.02074 
1 1 1   -6   23   18 o  291.616   11.191  1069.99   81.492  1008.00  113.645  1135.60  116.918  281.411   16.241  298.921   15.718 -17.51013 22.60150 
1 1 1   -6   23   19 o  336.164   12.245  1424.00  102.792  1367.60  143.842  1482.87  146.948  327.379   17.660  341.076   17.310 -13.69669 24.72859 
1 1 1   -6   23   20 o  429.359   14.509  2331.61  155.560  2290.36  218.786  2373.77  221.224  422.739   20.725  430.444   20.581 -7.705444 29.20793 
1 1 1   -6   23   21 o  469.006   15.498  2787.20  181.514  2655.17  255.166  2922.46  258.261  454.102   22.502  476.926   21.685 -22.82455 31.25014 
1 1 1   -6   23   22 o  420.279   14.419  2233.80  151.325  2254.34  212.784  2212.79  215.249  419.594   20.308  415.483   20.746 4.110474 29.03106 
1 1 1   -6   23   23 o  207.592   9.8588  541.314   51.108  478.121   69.988  613.508   74.807  193.890   14.561  219.983   13.685 -26.09250 19.98303 
1 1 1   -6   23   24 o  275.831   11.303  957.505   77.855  959.048  108.279  955.853  112.023  274.572   15.860  273.921   16.453 0.6506653 22.85244 
1 1 1   -6   23   25 o  173.428   10.163  379.226   43.820  418.426   60.128  334.820   63.995  181.583   13.354  161.705   16.060 19.87776 20.88686 
1 1 1   -6   23   26 o  365.969   13.524  1691.32  123.597  1837.71  173.992  1542.20  175.606  379.686   18.351  346.439   20.388 33.24680 27.43044 
1 1 1   -6   23   27 o  141.433   15.563  256.437   54.057   0.0000   0.0000  256.437   54.057  ?   ?   141.433   15.563 0.000000 15.56325 
1 1 1   -6   23   28 o  439.187   21.175  2476.10  232.234  2476.10  232.234   0.0000   0.0000  439.187   21.175  ?   ?  0.000000 21.17515 
1 1 1   -6   23   29 o  387.027   13.855  1893.03  133.907  2055.11  188.921  1729.40  189.828  401.203   18.857  366.617   20.821 34.58609 28.09041 
1 1 1   -6   23   30 o  199.156   10.907  500.483   54.035  558.513   74.583  436.372   78.393  209.645   14.332  184.437   17.220 25.20799 22.40414 
1 1 1   -6   23   31 o  271.557   11.973  929.433   81.190  1007.20  113.297  847.338  116.405  281.158   16.205  257.100   18.249 24.05716 24.40613 
1 1 1   -6   23   32 o  258.071   11.513  839.028   74.193  933.438  103.779  740.328  106.109  270.837   15.408  240.320   17.808 30.51730 23.54856 
1 1 1   -6   23   33 f  207.133   9.9944  539.483   51.696  515.679   71.020  566.311   75.395  201.311   14.219  210.959   14.398 -9.647995 20.23540 
1 1 1   -6   23   34 o  135.944   10.705  234.145   36.048  224.453   48.590  246.008   53.759  132.159   14.988  138.210   15.864 -6.050507 21.82440 
1 1 1   -6   23   35 o  110.977   11.717  157.172   31.981  190.311   42.875  115.606   48.018  121.627   14.396   92.789   21.189 28.83781 25.61626 
1 1 1   -6   23   36 o  220.215   13.951  618.561   76.323  800.078  146.058  550.376   89.518  245.723   24.113  206.400   17.534 39.32257 29.81440 
1 1 1   -6   23   37 o   70.429   19.382   66.358   35.160   81.448   90.402   63.669   38.165   84.325   31.672   69.298   20.567 15.02656 37.76384 
1 1 1   -6   23   38 f  270.232   14.574  936.614   97.983  1197.66  183.417  832.364  115.908  298.468   24.834  252.661   18.499 45.80792 30.96715 
1 1 1   -6   23   39 o  157.787   14.468  321.774   56.373  336.861  126.380  318.027   62.986  150.754   34.338  156.116   16.402 -5.361862 38.05418 
1 1 1   -6   23   40 o   89.669   17.864  108.371   38.595  144.734  109.975  103.264   41.217  100.218   35.328   86.988   19.461 13.23047 40.33393 
1 1 1   -6   23   41 o  184.259   14.521  441.081   66.272  342.952  141.416  468.696   75.019  146.239   38.278  189.182   16.030 -42.94334 41.49903 
1 1 1   -6   23   42 o  166.954   16.453  368.083   67.704   0.0000   0.0000  368.083   67.704  ?   ?   166.954   16.453 0.000000 16.45325 
1 1 1   -6   23   43 o   59.185   26.005   0.7237   74.119   0.0000   0.0000   0.7237   74.119  ?   ?    59.185   26.005 0.000000 26.00535 
1 1 1   -6   23   44 o   46.736   22.042 -57.6201   66.952   0.0000   0.0000 -57.6201   66.952  ?   ?    46.736   22.042 0.000000 22.04151 
1 1 1   -6   23   45 f  132.749   15.177  234.117   49.409  214.683  153.469  236.364   52.187  109.229   41.216  132.934   16.045 -23.70485 44.22936 
1 1 1   -6   23   46 o   90.509   18.881  114.747   41.294   8.8369  161.704  122.136   42.710   78.481   36.063   93.409   18.958 -14.92825 40.74224 
1 1 1   -6   24    1 o  381.052   19.206  1881.34  182.167   0.0000   0.0000  1881.34  182.167  ?   ?   381.052   19.206 0.000000 19.20586 
1 1 1   -6   24    2 o  232.116   15.128  689.749   87.210  689.749   87.210   0.0000   0.0000  232.116   15.128  ?   ?  0.000000 15.12834 
1 1 1   -6   24    3 o  197.570   14.199  498.645   69.587  538.245   97.945  458.282   98.883  203.318   19.531  186.603   21.621 16.71461 29.13653 
1 1 1   -6   24    4 o  153.646   9.3413  298.074   35.671  308.156   52.331  289.324   48.751  155.275   13.634  150.555   13.097 4.720428 18.90584 
1 1 1   -6   24    5 o  260.516   10.567  855.428   68.747  854.359   97.860  856.469   96.598  258.634   15.219  259.038   14.997 -0.4048462 21.36682 
1 1 1   -6   24    6 o  207.718   9.7625  542.954   50.639  551.336   72.482  534.961   70.776  208.003   14.036  204.913   13.914 3.090164 19.76407 
1 1 1   -6   24    7 o  118.325   9.9993  177.438   29.269  137.743   41.953  215.083   40.855  102.592   16.969  129.802   12.769 -27.21008 21.23673 
1 1 1   -6   24    8 o  152.093   9.5596  292.007   36.123  278.014   51.037  306.053   51.134  147.456   14.029  154.941   13.346 -7.484940 19.36334 
1 1 1   -6   24    9 o  212.739   13.515  575.134   71.426  608.098  102.419  543.922   99.660  216.931   19.101  204.849   19.726 12.08174 27.45857 
1 1 1   -6   24   10 o  257.537   14.807  844.247   94.825  862.270  134.909  826.647  133.312  257.769   21.145  252.257   21.364 5.512161 30.05834 
1 1 1   -6   24   11 o  205.459   9.7883  530.746   50.221  498.261   70.129  564.941   71.952  197.808   14.293  210.839   13.741 -13.03114 19.82724 
1 1 1   -6   24   12 o  174.240   9.6522  382.735   41.834  320.168   57.915  451.000   60.494  158.234   14.830  188.505   12.929 -30.27167 19.67443 
1 1 1   -6   24   13 o  457.109   15.342  2652.04  175.124  2652.69  246.730  2651.37  248.605  453.432   21.790  453.200   21.967 0.2319031 30.94114 
1 1 1   -6   24   14 o  281.733   11.095  999.498   78.056  983.913  109.389  1015.67  111.416  277.889   15.829  282.337   15.867 -4.448517 22.41239 
1 1 1   -6   24   15 o  421.173   14.631  2247.27  153.881  2309.33  216.940  2184.42  218.309  424.020   20.488  411.422   21.322 12.59726 29.57000 
1 1 1   -6   24   16 o  175.483   9.3787  387.868   40.950  335.597   55.904  448.387   60.153  162.309   13.928  188.021   12.889 -25.71227 18.97668 
1 1 1   -6   24   17 o   89.162   13.019  102.427   28.134  100.716   31.176  109.934   65.300   88.043   14.698   90.774   26.894 -2.731735 30.64828 
1 1 1   -6   24   18 o  187.042   14.404  445.372   66.760  430.993   88.275  464.585  102.041  182.470   19.685  188.695   22.072 -6.225327 29.57484 
1 1 1   -6   24   19 o  249.576   15.761  793.536   97.723  840.772  132.967  738.054  144.107  254.966   21.073  237.248   24.685 17.71806 32.45660 
1 1 1   -6   24   20 o  320.210   11.922  1292.28   95.329  1229.11  132.976  1359.07  136.733  310.266   17.231  326.466   16.829 -16.19980 24.08566 
1 1 1   -6   24   21 o  289.170   11.712  1053.51   84.571  1105.33  117.999  998.767  121.271  294.608   16.100  279.518   17.461 15.09006 23.75096 
1 1 1   -6   24   22 o  182.917   9.8610  421.636   44.876  397.129   61.137  450.267   66.081  176.680   13.971  188.148   14.169 -11.46756 19.89800 
1 1 1   -6   24   23 o  292.825   11.398  1079.76   83.344  1052.44  115.666  1109.25  120.195  287.436   16.180  295.042   16.378 -7.606262 23.02265 
1 1 1   -6   24   24 o  319.363   12.277  1286.05   97.911  1312.88  136.615  1257.70  140.397  320.772   17.117  313.583   18.004 7.189117 24.84237 
1 1 1   -6   24   25 o  164.909   10.255  343.177   42.020  349.994   56.768  334.916   62.495  165.837   13.834  161.768   15.667 4.069916 20.90054 
1 1 1   -6   24   26 o  411.497   17.356  2155.88  178.352  2394.27  308.213  2035.86  218.684  425.375   29.192  396.922   22.151 28.45358 36.64491 
1 1 1   -6   24   27 o  301.579   14.879  1152.09  112.055  1355.41  134.383  688.092  203.002  326.161   16.553  222.221   37.944 103.9404 41.39754 
1 1 1   -6   24   28 o  311.444   12.155  1222.94   94.533  1280.08  131.922  1162.62  135.531  316.852   16.732  301.395   18.091 15.45795 24.64252 
1 1 1   -6   24   29 o  335.838   12.783  1423.67  107.206  1478.67  149.751  1365.85  153.544  340.152   17.691  326.343   18.922 13.80954 25.90403 
1 1 1   -6   24   30 o  194.881   10.269  478.904   49.797  466.242   67.622  493.906   73.606  191.412   14.249  196.816   15.091 -5.404602 20.75530 
1 1 1   -6   24   31 f  313.879   12.404  1243.32   97.227  1343.44  136.283  1139.55  138.751  324.395   16.882  297.928   18.745 26.46753 25.22662 
1 1 1   -6   24   32 o  234.844   11.157  694.828   65.430  776.266   90.187  604.332   95.070  247.002   14.688  216.880   17.708 30.12234 23.00689 
1 1 1   -6   24   33 o  104.185   11.671  138.594   29.843  122.077   38.744  162.692   46.797   96.568   16.669  111.647   17.348 -15.07814 24.05853 
1 1 1   -6   24   34 o  228.861   11.062  660.559   63.221  702.528   87.531  614.784   91.413  234.584   15.021  218.750   16.864 15.83423 22.58401 
1 1 1   -6   24   35 o  256.064   11.917  829.166   76.202  933.666  106.742  720.560  108.819  269.956   15.904  235.903   18.624 34.05331 24.49057 
1 1 1   -6   24   36 o  168.892   11.124  362.079   46.652  420.022   64.410  298.138   67.661  181.010   14.368  151.012   18.317 29.99847 23.27966 
1 1 1   -6   24   37 o   74.109   19.276   74.036   36.011  143.600   85.652   59.099   39.689  100.980   30.996   67.224   21.177 33.75595 37.53977 
1 1 1   -6   24   38 o  174.459   14.246  392.115   61.522  422.525  123.164  382.004   71.016  172.997   29.572  171.148   16.834 1.848694 34.02786 
1 1 1   -6   24   39 f  166.959   14.259  360.443   58.879  425.849  124.683  341.672   66.795  172.338   30.065  161.450   16.814 10.88756 34.44761 
1 1 1   -6   24   40 o  122.651   15.528  197.728   46.493  217.974  111.536  193.470   51.149  118.731   35.142  120.509   17.509 -1.777855 39.26231 
1 1 1   -6   24   41 o   78.659   19.375   85.376   37.809  137.273  111.442   78.626   40.193   96.807   35.380   75.287   20.724 21.51959 41.00290 
1 1 1   -6   24   42 o   68.263   19.953   64.179   36.156  133.561  132.882   58.631   37.574   96.377   37.825   65.699   20.590 30.67820 43.06622 
1 1 1   -6   24   43 o  107.420   31.942  180.398   91.988   0.0000   0.0000  180.398   91.988  ?   ?   107.420   31.942 0.000000 31.94183 
1 1 1   -6   24   44 o   77.616   30.000   77.599   82.597   0.0000   0.0000   77.599   82.597  ?   ?    77.616   30.000 0.000000 29.99960 
1 1 1   -6   24   45 o   55.820   24.576   1.3782   66.491   58.008  138.979 -15.4316   75.720   81.637   35.746   56.026   25.329 25.61098 43.81025 
1 1 1   -6   24   46 o   83.816   19.931  100.197   41.106   0.0000   0.0000  100.197   41.106  ?   ?    83.816   19.931 0.000000 19.93078 
1 1 1   -6   25    1 o  294.204   16.645  1115.18  121.784  1115.18  121.784   0.0000   0.0000  294.204   16.645  ?   ?  0.000000 16.64465 
1 1 1   -6   25    2 o  129.748   10.842  214.114   34.805  146.862   53.616  263.095   45.757  104.389   21.290  143.406   12.916 -39.01681 24.90120 
1 1 1   -6   25    3 o  103.166   10.914  135.885   27.691  103.869   43.574  157.573   35.864   87.805   20.282  110.646   13.243 -22.84096 24.22227 
1 1 1   -6   25    4 o  135.901   9.9600  233.992   33.566  225.380   50.633  240.743   44.832  131.958   15.672  137.106   13.260 -5.147964 20.52888 
1 1 1   -6   25    5 o  184.207   14.580  434.538   66.520  423.422   92.141  446.638   96.132  179.476   20.953  184.242   21.286 -4.765945 29.86876 
1 1 1   -6   25    6 o  266.393   11.176  896.041   74.343  865.190  105.679  926.266  104.603  259.635   16.384  268.994   15.640 -9.358856 22.65006 
1 1 1   -6   25    7 o   96.072   10.756  117.817   25.363  127.086   37.891  110.294   34.138   98.629   15.927   91.859   15.429 6.770500 22.17513 
1 1 1   -6   25    8 o  246.383   10.443  765.021   64.253  768.093   91.044  761.972   90.692  245.269   14.936  244.285   14.939 0.9840851 21.12458 
1 1 1   -6   25    9 o  149.777   9.9625  283.630   37.049  242.410   52.362  324.956   52.429  137.132   15.566  159.630   13.273 -22.49843 20.45683 
1 1 1   -6   25   10 o  270.092   10.945  919.737   73.817  961.487  104.132  877.566  104.657  274.509   15.251  261.904   16.080 12.60461 22.16187 
1 1 1   -6   25   11 o  275.588   11.259  957.881   77.486  940.458  108.877  975.763  110.300  271.189   16.150  276.286   16.056 -5.097382 22.77364 
1 1 1   -6   25   12 o  201.304   13.542  515.435   67.677  414.908   96.146  614.162   95.281  177.707   22.146  218.493   17.613 -40.78616 28.29594 
1 1 1   -6   25   13 o  197.552   10.165  492.417   49.975  482.426   69.265  503.265   72.175  194.525   14.361  198.619   14.655 -4.094452 20.51836 
1 1 1   -6   25   14 o  174.754   9.7292  385.199   42.289  309.196   58.331  469.408   61.399  155.302   15.237  192.282   12.861 -36.97955 19.93930 
1 1 1   -6   25   15 o  315.382   12.049  1255.35   94.891  1238.82  133.095  1272.44  135.327  311.136   17.197  315.317   17.252 -4.181122 24.35890 
1 1 1   -6   25   16 o  360.401   13.311  1642.91  119.796  1780.36  168.580  1502.69  170.268  373.146   18.092  341.364   20.062 31.78271 27.01472 
1 1 1   -6   25   17 o  201.290   10.020  509.592   50.365  568.141   69.563  445.086   73.016  211.573   13.233  186.480   15.829 25.09291 20.63170 
1 1 1   -6   25   18 o  114.695   10.095  166.705   28.618  159.414   38.181  176.053   43.231  111.364   14.041  116.852   15.174 -5.487564 20.67361 
1 1 1   -6   25   19 o  166.242   9.6351  348.493   39.827  351.991   53.703  344.216   59.371  166.406   13.027  164.166   14.636 2.240265 19.59403 
1 1 1   -6   25   20 o  163.267   15.184  341.016   61.196  364.609   78.400  304.227   97.900  167.749   19.054  150.268   27.086 17.48065 33.11616 
1 1 1   -6   25   21 o  511.099   24.882  3403.58  317.570  3604.33  445.878  3196.90  452.417  514.816   34.889  481.164   37.961 33.65250 51.55824 
1 1 1   -6   25   22 o  166.713   11.765  352.066   48.664  332.146   78.179  364.668   62.179  159.736   20.040  168.972   14.888 -9.236343 24.96550 
1 1 1   -6   25   23 o  386.858   13.477  1892.16  130.197  1799.44  181.975  1989.41  186.356  374.236   19.540  394.298   18.926 -20.06192 27.20331 
1 1 1   -6   25   24 o  176.568   10.072  393.239   44.226  396.504   59.492  389.204   66.121  176.575   13.597  174.505   15.329 2.070068 20.49000 
1 1 1   -6   25   25 o  156.139   10.199  307.862   39.550  278.731   52.509  346.055   60.125  147.682   14.422  164.610   14.784 -16.92798 20.65391 
1 1 1   -6   25   26 o  203.818   12.265  525.917   62.135  543.193   99.003  514.691   79.810  205.018   19.576  200.639   16.064 4.379318 25.32280 
1 1 1   -6   25   27 o  182.972   10.751  422.794   48.907  452.176   66.154  387.379   72.628  188.482   14.159  173.632   16.967 14.85030 22.09884 
1 1 1   -6   25   28 o  282.778   12.016  1008.56   84.852  1063.61  117.373  948.292  122.809  288.727   16.346  271.874   18.194 16.85251 24.45844 
1 1 1   -6   25   29 o  468.526   15.935  2790.50  186.439  2873.00  261.931  2705.78  265.432  471.438   22.249  456.183   23.379 15.25519 32.27380 
1 1 1   -6   25   30 o  112.718   11.410  161.729   31.674  145.177   41.424  185.029   49.148  105.674   16.216  119.377   16.964 -13.70289 23.46748 
1 1 1   -6   25   31 o  259.771   11.283  850.627   73.189  863.249  100.443  836.339  106.866  260.152   15.532  255.579   16.838 4.572311 22.90799 
1 1 1   -6   25   32 o  372.572   13.905  1759.60  129.371  1889.85  181.023  1623.62  184.955  383.685   18.893  353.931   21.021 29.75397 28.26373 
1 1 1   -6   25   33 o  100.237   12.251  128.845   30.028  134.119   38.727  120.894   47.550  101.458   15.800   95.001   20.634 6.457169 25.98860 
1 1 1   -6   25   34 o  165.473   11.147  347.260   45.793  374.654   62.030  314.444   67.890  170.962   14.672  155.542   17.799 15.41997 23.06651 
1 1 1   -6   25   35 o  182.331   10.927  421.522   49.521  419.235   67.238  424.233   73.210  180.611   15.045  181.229   16.353 -0.6173401 22.22091 
1 1 1   -6   25   36 o  223.363   11.891  634.468   66.089  699.170   91.103  562.594   96.018  232.942   15.754  207.499   18.733 25.44298 24.47646 
1 1 1   -6   25   37 o  180.777   10.666  415.191   47.935  370.479   65.314  467.392   70.572  169.045   15.650  190.305   14.971 -21.25955 21.65757 
1 1 1   -6   25   38 o  258.704   14.907  864.016   95.898  885.220  174.680  854.869  114.735  251.592   28.294  255.354   18.110 -3.761917 33.59383 
1 1 1   -6   25   39 f  202.837   14.232  532.206   71.633  741.622  138.072  455.079   83.792  232.510   24.132  185.365   18.343 47.14519 30.31143 
1 1 1   -6   25   40 o   69.776   19.674   66.783   35.761  227.451   98.200   42.219   38.397  122.457   31.822   58.837   20.861 63.61997 38.05013 
1 1 1   -6   25   41 o   72.158   20.295   72.202   38.103   53.106  109.863   74.813   40.625   78.488   33.008   73.330   21.069 5.157669 39.15927 
1 1 1   -6   25   42 o   71.144   20.153   70.446   37.434   93.707  117.572   67.822   39.489   86.598   35.042   69.904   20.960 16.69447 40.83194 
1 1 1   -6   25   43 o  129.053   17.486  224.750   54.900   0.0000   0.0000  224.750   54.900  ?   ?   129.053   17.486 0.000000 17.48553 
1 1 1   -6   25   44 o  137.311   32.261  299.865  108.741   0.0000   0.0000  299.865  108.741  ?   ?   137.311   32.261 0.000000 32.26061 
1 1 1   -6   25   45 o   84.503   31.861  106.550   91.658   0.0000   0.0000  106.550   91.658  ?   ?    84.503   31.861 0.000000 31.86057 
1 1 1   -6   26    1 o  181.473   13.917  422.666   62.587  484.555  105.897  389.445   77.587  190.301   22.734  172.455   18.296 17.84610 29.18149 
1 1 1   -6   26    2 o  130.851   10.230  217.536   33.163  225.528   53.305  212.489   42.358  131.457   16.609  128.527   13.394 2.930206 21.33680 
1 1 1   -6   26    3 f  300.492   11.562  1143.56   86.757  1176.80  125.098  1112.77  120.422  302.134   16.645  293.870   16.476 8.263763 23.42035 
1 1 1   -6   26    4 o  156.955   10.304  312.262   40.163  305.261   60.606  317.743   53.630  153.561   16.042  157.417   13.782 -3.856888 21.14862 
1 1 1   -6   26    5 o  241.271   10.880  735.471   65.550  728.765   94.196  741.767   91.276  238.081   15.936  240.482   15.279 -2.401703 22.07681 
1 1 1   -6   26    6 o  116.117   16.826  176.250   47.367  118.150   63.692  248.154   70.855   92.800   26.288  136.505   21.497 -43.70563 33.95846 
1 1 1   -6   26    7 o  160.992   15.082  333.302   59.926  311.324   81.659  358.952   88.218  153.086   21.992  164.554   22.021 -11.46748 31.12174 
1 1 1   -6   26    8 o  441.650   14.882  2485.48  164.129  2484.52  232.335  2486.45  231.892  436.982   21.291  437.194   21.240 -0.2116699 30.07434 
1 1 1   -6   26    9 o  126.112   10.669  202.011   33.285  122.390   47.069  281.648   47.074   95.550   20.350  148.563   12.814 -53.01245 24.04844 
1 1 1   -6   26   10 o  173.627   9.6776  380.675   41.793  353.835   58.912  407.870   59.299  166.254   14.330  178.851   13.374 -12.59752 19.60121 
1 1 1   -6   26   11 o  196.280   10.077  486.502   49.228  392.313   68.524  586.958   70.767  174.687   15.882  214.796   13.258 -40.10950 20.68851 
1 1 1   -6   26   12 o  190.493   9.8662  458.017   46.772  496.033   65.545  418.576   66.764  197.391   13.376  180.815   14.919 16.57620 20.03778 
1 1 1   -6   26   13 o  164.617   10.019  342.410   40.990  322.898   56.591  363.945   59.453  158.824   14.426  168.740   14.242 -9.916000 20.27197 
1 1 1   -6   26   14 o  194.046   13.477  479.307   64.900  430.732   92.570  526.263   91.014  181.497   20.800  201.813   18.257 -20.31538 27.67610 
1 1 1   -6   26   15 o  261.414   11.104  861.714   72.486  833.731  100.642  891.876  104.487  255.373   15.860  264.137   15.915 -8.764359 22.46868 
1 1 1   -6   26   16 o  328.117   12.560  1361.05  102.911  1400.03  144.413  1320.82  146.690  330.408   17.566  320.485   18.406 9.923004 25.44311 
1 1 1   -6   26   17 o  193.874   10.116  474.314   48.807  473.132   66.819  475.667   71.460  192.713   13.980  192.958   14.947 -0.2448273 20.46579 
1 1 1   -6   26   18 o  355.206   13.165  1596.43  116.776  1673.75  163.951  1516.80  166.368  361.100   18.241  343.040   19.502 18.05984 26.70283 
1 1 1   -6   26   19 o  179.415   10.068  406.263   44.924  421.849   60.948  387.723   66.474  182.070   13.501  173.993   15.460 8.077148 20.52578 
1 1 1   -6   26   20 o  425.696   14.881  2300.40  158.191  2380.52  222.251  2218.13  225.210  429.756   20.710  413.576   21.884 16.18024 30.12978 
1 1 1   -6   26   21 o  191.941   10.068  464.720   48.088  422.802   64.794  516.120   71.749  182.079   14.367  201.279   14.369 -19.19987 20.31948 
1 1 1   -6   26   22 o  241.441   12.432  738.073   74.701  725.987   87.460  770.669  143.635  238.782   14.740  242.258   24.061 -3.475769 28.21681 
1 1 1   -6   26   23 f  482.780   22.700  3020.83  273.673  2779.23  380.760  3279.03  393.625  451.970   33.985  493.204   32.135 -41.23364 46.77217 
1 1 1   -6   26   24 o  189.309   15.431  458.157   72.312  457.917   90.895  458.571  119.352  187.916   19.661  185.319   26.549 2.597137 33.03630 
1 1 1   -6   26   25 o  285.592   13.710  1032.48   97.773  1034.45  162.285  1031.36  122.502  281.414   23.303  283.773   17.371 -2.358459 29.06478 
1 1 1   -6   26   26 o  160.565   14.035  328.960   55.710  328.960   55.710   0.0000   0.0000  160.565   14.035  ?   ?  0.000000 14.03532 
1 1 1   -6   26   27 o  150.906   10.499  288.024   39.318  264.713   51.237  321.413   61.320  143.797   14.465  158.255   15.725 -14.45735 21.36577 
1 1 1   -6   26   28 o  301.337   12.273  1146.65   92.356  1230.51  127.806  1054.99  133.610  310.327   16.552  286.327   18.791 23.99994 25.04116 
1 1 1   -6   26   29 o  141.908   10.963  255.230   38.548  255.977   50.765  254.212   59.240  141.316   14.596  140.103   17.300 1.213562 22.63444 
1 1 1   -6   26   30 o  176.094   10.533  391.932   46.106  384.179   61.519  401.868   69.640  173.443   14.332  176.962   15.930 -3.519012 21.42801 
1 1 1   -6   26   31 o  232.975   11.535  685.151   67.107  742.294   91.701  619.265   98.466  241.042   15.314  219.047   18.165 21.99501 23.75890 
1 1 1   -6   26   32 o  307.115   12.492  1193.74   95.807  1338.30  133.012  1037.89  138.115  323.154   16.538  282.950   19.669 40.20316 25.69810 
1 1 1   -6   26   33 o   68.313   15.181   61.776   25.225   69.914   31.496   47.219   42.126   72.380   17.597   62.887   21.885 9.493034 28.08169 
1 1 1   -6   26   34 o   98.954   12.011  125.807   29.071  112.098   36.987  147.964   47.021   92.130   16.691  105.626   18.501 -13.49572 24.91733 
1 1 1   -6   26   35 o  119.911   11.102  183.521   32.866  161.544   42.521  216.138   51.801  111.188   15.755  128.649   16.505 -17.46057 22.81744 
1 1 1   -6   26   36 o  232.278   11.420  684.640   66.240  779.087   92.337  584.503   95.078  245.883   15.111  211.349   18.192 34.53401 23.64972 
1 1 1   -6   26   37 o  334.940   13.230  1434.73  110.658  1546.16  154.432  1317.14  158.641  343.807   18.051  315.410   20.248 28.39713 27.12605 
1 1 1   -6   26   38 o  163.279   10.913  340.402   44.239  343.721   59.659  336.349   65.937  162.567   14.860  159.947   16.757 2.619934 22.39689 
1 1 1   -6   26   39 o  171.165   14.397  381.098   60.966  466.576  122.925  353.213   70.210  180.132   28.257  163.199   17.501 16.93381 33.23770 
1 1 1   -6   26   40 o   66.302   20.607   59.762   37.723  190.588  102.047   39.056   40.599  110.298   33.829   57.975   21.329 52.32363 39.99191 
1 1 1   -6   26   41 o  126.628   16.206  213.574   50.069  195.523  112.310  218.051   55.935  109.788   35.729  126.994   18.155 -17.20574 40.07690 
1 1 1   -6   26   42 o   75.239   20.633   79.695   39.929  158.643  110.835   67.920   42.804   99.706   35.432   69.887   21.988 29.81928 41.70031 
1 1 1   -6   26   43 o  216.805   17.779  632.368   95.409   0.0000   0.0000  632.368   95.409  ?   ?   216.805   17.779 0.000000 17.77902 
1 1 1   -6   26   44 o   72.023   22.401   74.017   44.568   0.0000   0.0000   74.017   44.568  ?   ?    72.023   22.401 0.000000 22.40082 
1 1 1   -6   26   45 o   80.805   32.123   91.729   96.987   0.0000   0.0000   91.729   96.987  ?   ?    80.805   32.123 0.000000 32.12289 
1 1 1   -6   27    1 o   79.356   13.181   82.392   25.204   79.989   47.165   83.352   29.818   76.703   22.887   79.181   15.635 -2.477753 27.71738 
1 1 1   -6   27    2 o   54.338   15.314   38.998   21.671   25.355   44.184   43.320   24.868   55.110   21.753   57.249   16.495 -2.138588 27.29962 
1 1 1   -6   27    3 o  158.345   15.200  324.362   59.366  205.448   98.853  391.441   74.245  118.889   32.408  173.188   17.403 -54.29951 36.78486 
1 1 1   -6   27    4 o   66.057   14.294   57.806   22.895   0.0950   43.083   80.516   27.026   47.161   20.280   78.231   14.364 -31.06919 24.85108 
1 1 1   -6   27    5 o  171.914   10.678  375.046   45.616  319.213   67.637  421.629   61.781  156.343   17.632  181.391   13.741 -25.04752 22.35440 
1 1 1   -6   27    6 o  248.350   10.998  780.071   68.205  740.054   97.868  817.860   95.104  239.491   16.464  252.430   15.157 -12.93886 22.37903 
1 1 1   -6   27    7 f  132.306   11.998  223.560   39.210   87.630   56.923  346.285   54.088   80.967   25.338  164.532   13.277 -83.56492 28.60599 
1 1 1   -6   27    8 o  139.839   15.965  253.404   54.751  268.470   73.340  234.436   82.289  142.060   21.333  130.649   26.135 11.41130 33.73607 
1 1 1   -6   27    9 o  192.929   15.097  477.832   72.153  446.337   97.634  515.732  107.101  183.780   21.692  197.510   22.093 -13.73047 30.96227 
1 1 1   -6   27   10 o  184.203   10.098  429.040   46.271  402.454   65.772  455.090   65.107  177.036   15.019  188.686   13.916 -11.64996 20.47510 
1 1 1   -6   27   11 o  213.809   10.117  576.254   54.016  560.069   76.054  592.728   76.730  209.220   14.649  215.364   14.349 -6.144348 20.50631 
1 1 1   -6   27   12 o  237.889   10.684  713.975   63.468  698.269   89.242  730.049   90.280  233.490   15.392  238.834   15.216 -5.343170 21.64379 
1 1 1   -6   27   13 o  102.898   11.214  135.218   28.349   77.938   39.887  193.685   40.299   76.265   20.502  122.883   13.347 -46.61806 24.46369 
1 1 1   -6   27   14 o  191.041   10.375  461.325   49.311  465.192   68.584  457.187   70.949  190.742   14.507  188.879   15.170 1.863251 20.99044 
1 1 1   -6   27   15 o  274.165   11.453  949.162   78.411  991.065  109.882  905.685  111.927  278.296   15.877  265.542   16.968 12.75400 23.23779 
1 1 1   -6   27   16 o  129.266   13.286  213.886   42.277  176.413   60.684  249.228   58.933  114.816   21.965  138.505   17.425 -23.68919 28.03739 
1 1 1   -6   27   17 o  216.926   11.457  595.605   61.846  582.450   76.706  620.044  104.549  213.656   14.462  218.670   19.346 -5.014069 24.15382 
1 1 1   -6   27   18 o  172.517   10.180  376.058   43.660  376.433   59.299  375.613   64.520  171.719   13.949  171.168   15.255 0.5519104 20.67067 
1 1 1   -6   27   19 o  136.635   10.183  236.341   34.494  265.889   46.431  199.946   51.530  144.372   13.019  123.997   17.096 20.37479 21.48890 
1 1 1   -6   27   20 f  271.487   11.297  929.759   76.585  917.078  105.732  943.756  111.082  267.860   15.878  271.507   16.461 -3.647736 22.87101 
1 1 1   -6   27   21 o  286.890   11.715  1038.96   83.930  1079.20  116.021  994.788  121.563  290.596   16.050  278.325   17.581 12.27054 23.80530 
1 1 1   -6   27   22 o   68.331   14.429   61.426   23.848   33.603   30.437  105.671   38.383   53.658   18.606   89.388   17.820 -35.72981 25.76344 
1 1 1   -6   27   23 o  135.778   10.507  233.553   35.349  210.888   46.274  265.313   54.778  128.063   14.738  143.617   15.521 -15.55345 21.40363 
1 1 1   -6   27   24 o  119.411   18.069  186.395   52.197   0.0000   0.0000  186.395   52.197  ?   ?   119.411   18.069 0.000000 18.06945 
1 1 1   -6   27   25 o  235.935   13.422  707.157   78.753  788.230   91.027  465.859  157.038  248.709   14.722  181.670   35.889 67.03938 38.79084 
1 1 1   -6   27   26 o  157.728   16.297  320.346   63.266  333.032   74.909  288.785  118.158  159.962   19.132  143.218   33.615 16.74396 38.67827 
1 1 1   -6   27   27 o  301.299   17.749  1165.97  132.953  1166.04  175.083  1165.88  204.336  298.094   23.716  295.276   28.049 2.818756 36.73133 
1 1 1   -6   27   28 o  344.105   15.369  1507.13  132.069  1492.39  220.803  1515.34  164.798  335.254   26.593  342.654   19.339 -7.399231 32.88074 
1 1 1   -6   27   29 o  137.078   11.147  238.594   37.827  204.440   49.192  288.009   59.171  125.651   16.044  149.439   16.111 -23.78783 22.73671 
1 1 1   -6   27   30 o  285.666   11.824  1031.44   84.347  1010.27  115.114  1055.99  123.945  280.661   16.497  286.540   17.404 -5.878937 23.98053 
1 1 1   -6   27   31 o  290.024   12.410  1065.23   89.878  1066.54  123.244  1063.74  131.357  287.862   17.224  286.862   18.435 0.9994507 25.22885 
1 1 1   -6   27   32 o  122.217   11.269  190.386   34.005  207.565   44.088  165.158   53.427  126.943   14.149  111.335   19.949 15.60793 24.45715 
1 1 1   -6   27   33 o   74.908   14.708   74.028   26.531   79.374   33.240   64.644   44.040   76.992   17.664   70.313   22.325 6.679276 28.46745 
1 1 1   -6   27   34 o  240.266   11.307  731.584   67.838  772.188   92.363  684.024   99.963  244.969   15.173  229.336   17.589 15.63303 23.22921 
1 1 1   -6   27   35 o  135.154   10.913  232.994   36.518  214.400   47.391  260.171   57.294  128.382   15.069  141.018   16.587 -12.63622 22.40989 
1 1 1   -6   27   36 o  165.820   10.533  350.028   43.390  347.701   57.420  353.125   66.247  164.013   14.158  164.378   16.356 -0.3647308 21.63284 
1 1 1   -6   27   37 o  222.072   11.620  630.307   64.217  714.269   87.865  534.035   94.086  234.627   15.076  200.493   19.020 34.13411 24.27021 
1 1 1   -6   27   38 o  117.438   11.139  177.335   32.276  152.120   41.337  216.715   51.659  107.053   15.950  127.857   16.569 -20.80415 22.99883 
1 1 1   -6   27   39 o  209.630   14.590  572.960   75.901  736.354  147.190  513.773   88.588  227.529   26.396  196.100   18.302 31.42810 32.12010 
1 1 1   -6   27   40 o  144.121   15.272  274.105   54.126  216.696  110.908  292.052   62.012  115.556   35.235  147.824   17.115 -32.26826 39.17225 
1 1 1   -6   27   41 o  150.712   15.632  301.114   57.976  317.320  120.975  296.282   66.055  139.993   34.764  147.966   18.265 -7.972382 39.26983 
1 1 1   -6   27   42 o   63.215   21.490   53.345   40.544   26.773  113.242   57.252   43.422   73.195   32.153   65.237   22.240 7.958603 39.09501 
1 1 1   -6   27   43 o  173.288   15.792  400.303   67.588  372.822  147.352  407.625   76.061  144.077   39.689  173.413   17.818 -29.33562 43.50504 
1 1 1   -6   27   44 o   70.372   22.289   70.830   43.921   0.0000   0.0000   70.830   43.921  ?   ?    70.372   22.289 0.000000 22.28897 
1 1 1   -6   28    1 o  113.454   11.654  165.639   32.548  129.275   56.766  183.448   39.726   95.933   23.808  118.836   13.634 -22.90273 27.43534 
1 1 1   -6   28    2 o   50.384   15.174   33.124   20.661   64.137   45.810   25.204   23.149   69.745   22.825   46.378   16.219 23.36737 28.00013 
1 1 1   -6   28    3 o  168.146   11.501  360.909   48.002  292.115   73.840  411.262   63.172  147.615   20.592  178.516   14.291 -30.90041 25.06505 
1 1 1   -6   28    4 o  112.377   13.722  163.708   37.707  110.400   57.244  204.564   50.115   89.094   24.812  124.870   16.474 -35.77586 29.78260 
1 1 1   -6   28    5 o  112.451   14.664  164.576   40.199  193.160   82.492  155.674   46.035  116.515   28.570  108.367   17.616 8.147697 33.56499 
1 1 1   -6   28    6 o   60.970   15.362   49.534   23.379   25.031   43.949   59.204   27.609   54.972   21.696   66.497   16.661 -11.52499 27.35509 
1 1 1   -6   28    7 o  127.835   10.339  207.850   32.722  259.150   51.729  173.630   42.249  141.563   14.854  115.549   14.996 26.01443 21.10737 
1 1 1   -6   28    8 o  158.764   10.621  320.045   41.864  295.321   61.149  341.856   57.435  150.701   16.520  163.053   14.249 -12.35184 21.81582 
1 1 1   -6   28    9 o   83.003   12.772   89.457   25.624  100.681   40.533   81.985   33.071   86.496   19.260   78.317   17.365 8.179108 25.93296 
1 1 1   -6   28   10 o  150.266   16.319  292.904   60.251  316.896   80.212  261.841   91.269  154.402   21.377  137.433   27.553 16.96889 34.87341 
1 1 1   -6   28   11 o  198.444   15.817  507.224   77.730  550.755  105.045  454.543  115.559  204.601   20.851  183.134   25.999 21.46657 33.32716 
1 1 1   -6   28   12 o  270.644   11.484  926.636   77.613  923.423  108.856  929.959  110.689  267.934   16.348  268.776   16.572 -0.8414917 23.27859 
1 1 1   -6   28   13 o  431.005   14.931  2370.00  160.698  2458.63  226.921  2280.82  227.603  434.558   20.911  417.216   21.923 17.34149 30.29638 
1 1 1   -6   28   14 o  163.317   10.371  337.767   42.075  271.189   58.262  410.341   60.828  144.666   16.418  179.187   13.698 -34.52148 21.38187 
1 1 1   -6   28   15 o  157.434   10.428  313.954   40.763  226.033   55.882  413.944   59.594  131.639   17.428  180.109   13.345 -48.47000 21.95030 
1 1 1   -6   28   16 o  310.099   12.179  1217.10   94.311  1218.74  131.926  1215.39  134.875  307.791   17.234  307.139   17.659 0.6514282 24.67488 
1 1 1   -6   28   17 o  157.172   10.255  312.671   40.028  340.444   54.832  280.985   58.568  163.228   13.575  147.453   16.171 15.77515 21.11399 
1 1 1   -6   28   18 o  292.806   16.105  1098.43  117.305  1166.31  166.800  1032.00  165.004  298.164   22.569  279.587   23.862 18.57703 32.84458 
1 1 1   -6   28   19 o  144.793   13.490  268.163   48.215  231.437   68.569  304.081   67.809  131.961   21.552  152.880   18.114 -20.91884 28.15326 
1 1 1   -6   28   20 o  290.134   11.902  1064.09   86.235  1046.32  119.282  1083.54  124.815  285.512   16.804  290.329   17.294 -4.817780 24.11372 
1 1 1   -6   28   21 o  436.847   15.301  2431.30  166.915  2623.62  234.375  2233.36  237.767  449.957   20.859  412.848   23.156 37.10822 31.16571 
1 1 1   -6   28   22 o  176.282   10.270  392.839   45.015  359.342   59.900  436.301   68.231  167.548   14.458  184.590   14.930 -17.04224 20.78322 
1 1 1   -6   28   23 o  161.353   12.487  331.328   49.923  402.243   79.205  284.586   64.304  176.104   18.277  148.003   17.753 28.10104 25.47961 
1 1 1   -6   28   24 o  276.055   11.462  962.288   79.012  1020.65  108.000  895.077  115.896  282.656   15.358  263.657   17.705 18.99918 23.43854 
1 1 1   -6   28   25 o  159.178   10.812  320.996   42.722  358.599   56.215  269.586   65.730  167.623   13.545  143.662   18.771 23.96048 23.14768 
1 1 1   -6   28   26 o  366.294   13.300  1701.21  121.657  1694.16  168.280  1708.92  176.082  362.435   18.656  363.502   19.469 -1.067047 26.96469 
1 1 1   -6   28   27 o  251.407   10.967  797.649   68.850  825.582   92.799  763.448  102.686  254.308   14.675  243.611   16.986 10.69691 22.44733 
1 1 1   -6   28   28 o  310.160   14.380  1223.93  111.378  1203.75  130.027  1279.53  215.837  305.987   17.085  307.922   28.389 -1.934967 33.13386 
1 1 1   -6   28   29 o  211.495   17.568  578.485   91.942  714.472  115.309  341.113  152.346  234.079   19.916  151.459   39.771 82.62004 44.47869 
1 1 1   -6   28   30 o  182.947   16.060  431.687   72.626  407.537   85.025  496.856  139.671  176.333   19.643  189.061   30.632 -12.72842 36.38897 
1 1 1   -6   28   31 o  255.094   13.050  829.268   82.853  738.765  130.276  890.736  107.364  236.154   22.357  262.868   16.438 -26.71420 27.75008 
1 1 1   -6   28   32 o  117.341   13.290  177.487   38.255  176.806   53.380  178.206   54.852  115.227   19.229  115.513   19.724 -0.2867203 27.54586 
1 1 1   -6   28   33 o  109.592   12.123  154.442   32.622  155.125   41.510  153.339   52.755  108.789   15.737  106.487   20.584 2.302261 25.91010 
1 1 1   -6   28   34 o  112.264   11.554  161.779   31.927  142.245   40.603  193.422   51.678  103.820   16.189  120.856   17.643 -17.03549 23.94551 
1 1 1   -6   28   35 o   70.248   14.742   65.790   25.037   59.582   30.901   77.651   42.716   66.388   18.129   75.265   21.599 -8.876152 28.19866 
1 1 1   -6   28   36 o   48.096   15.615   29.321   21.455   32.853   25.530   20.828   39.587   51.170   17.053   51.272   20.478 -0.1023369 26.64918 
1 1 1   -6   28   37 o   61.551   15.783   51.200   24.376   53.444   29.601   46.471   42.964   62.796   17.967   61.619   22.043 1.177399 28.43793 
1 1 1   -6   28   38 o   59.536   15.691   47.990   23.658   57.317   28.491   27.277   42.460   64.779   17.290   54.254   21.353 10.52509 27.47540 
1 1 1   -6   28   39 o  114.940   12.227  171.735   34.556  187.378   44.411  147.736   55.010  118.839   15.322  102.118   22.205 16.72166 26.97829 
1 1 1   -6   28   40 o   43.607   18.617   4.1297   35.842 -54.4085   91.095   14.851   38.986   56.127   26.228   48.452   19.960 7.674271 32.95922 
1 1 1   -6   28   41 f   64.204   21.786   55.412   41.666   58.283  112.975   54.960   44.825   78.129   33.196   64.486   22.568 13.64263 40.14058 
1 1 1   -6   28   42 o   53.339   20.760   29.164   39.770   6.2097  114.666   32.303   42.401   69.896   31.423   55.306   21.461 14.58986 38.05279 
1 1 1   -6   28   43 o  103.043   21.111  151.908   52.496   0.0000   0.0000  151.908   52.496  ?   ?   103.043   21.111 0.000000 21.11103 
1 1 1   -6   28   44 o   38.425   17.526 -17.1050   37.260   0.0000   0.0000 -17.1050   37.260  ?   ?    38.425   17.526 0.000000 17.52643 
1 1 1   -6   29    1 o   43.732   18.904   0.0645   37.836 -27.9828   52.403   30.610   54.687   44.978   20.617   59.566   23.970 -14.58807 31.61665 
1 1 1   -6   29    2 o   90.515   13.038  107.249   28.620   67.623   53.790  122.897   33.802   71.628   24.741   96.531   14.468 -24.90353 28.66059 
1 1 1   -6   29    3 o  132.898   11.688  226.986   38.394  220.776   64.002  230.477   47.988  127.273   20.861  132.842   14.713 -5.569458 25.52709 
1 1 1   -6   29    4 f   93.939   12.559  114.646   28.724  128.613   52.438  108.659   34.333   96.230   22.263   90.429   15.778 5.800842 27.28731 
1 1 1   -6   29    5 o  152.667   11.867  298.541   44.884  243.040   69.398  338.454   58.851  133.822   21.494  161.539   14.752 -27.71736 26.06947 
1 1 1   -6   29    6 o   80.028   16.570   85.743   32.023  133.343   82.136   77.210   34.775   96.700   30.465   75.449   18.580 21.25150 35.68377 
1 1 1   -6   29    7 o  278.214   16.337  1003.10  113.003  1026.41  171.128  985.087  150.477  274.678   25.231  271.405   22.403 3.272095 33.74131 
1 1 1   -6   29    8 o   45.920   15.603   25.362   21.373   10.368   41.622   30.732   24.908   49.232   20.482   50.089   16.845 -0.8571510 26.51906 
1 1 1   -6   29    9 o  281.694   11.246  1005.95   79.108  1022.93  113.029  989.655  110.757  281.397   16.153  276.803   16.093 4.593750 22.80092 
1 1 1   -6   29   10 o  191.382   10.712  464.862   50.989  417.181   73.320  509.522   70.958  179.237   16.569  199.133   14.366 -19.89600 21.92936 
1 1 1   -6   29   11 o   94.365   13.419  115.576   30.731   39.585   46.500  174.503   40.948   60.962   22.751  116.020   14.446 -55.05791 26.94966 
1 1 1   -6   29   12 o  256.531   16.510  849.671  105.201  828.265  143.501  874.542  154.681  249.251   23.326  255.306   24.565 -6.054291 33.87577 
1 1 1   -6   29   13 o  207.780   15.819  556.568   81.462  516.172  108.043  609.784  124.009  197.009   22.357  213.558   23.650 -16.54886 32.54522 
1 1 1   -6   29   14 o  128.398   10.907  209.875   34.639  211.753   49.316  208.046   48.665  127.658   15.808  126.540   15.741 1.118088 22.30827 
1 1 1   -6   29   15 o  129.704   10.619  213.873   34.093  232.326   48.177  195.362   48.252  134.191   14.613  122.465   16.174 11.72545 21.79764 
1 1 1   -6   29   16 o  163.133   10.421  337.269   42.229  333.100   58.566  341.785   60.947  160.937   14.736  162.903   15.156 -1.966400 21.13906 
1 1 1   -6   29   17 o  116.581   11.069  173.263   31.839  165.563   44.092  181.652   46.024  112.645   16.136  118.120   16.016 -5.475784 22.73483 
1 1 1   -6   29   18 o  283.330   11.737  1015.94   83.039  1060.24  115.381  968.325  119.603  287.312   16.147  273.827   17.584 13.48502 23.87313 
1 1 1   -6   29   19 o  147.470   10.943  276.154   40.011  243.298   53.737  317.031   59.938  137.035   16.005  156.809   15.510 -19.77472 22.28698 
1 1 1   -6   29   20 o  102.898   15.278  137.891   38.067  144.890   55.698  131.756   52.146  103.494   22.216   98.730   21.739 4.764313 31.08232 
1 1 1   -6   29   21 o  293.816   16.336  1108.52  119.385  1108.62  169.361  1108.42  168.317  289.535   23.630  289.613   23.475 -0.7806396E-01 33.30875 
1 1 1   -6   29   22 o  128.671   11.371  210.832   36.161  193.492   47.514  234.702   55.748  122.052   15.972  134.289   17.005 -12.23682 23.32995 
1 1 1   -6   29   23 o   85.836   13.667   95.816   28.313   74.745   37.012  125.541   43.960   74.661   19.602   97.136   18.803 -22.47454 27.16200 
1 1 1   -6   29   24 o  170.771   13.983  373.273   59.106  373.273   59.106   0.0000   0.0000  170.771   13.983  ?   ?  0.000000 13.98277 
1 1 1   -6   29   25 f  253.096   11.263  809.666   71.188  812.575   96.200  806.145  105.839  251.798   15.373  250.060   17.051 1.737961 22.95794 
1 1 1   -6   29   26 o  103.098   12.150  136.423   30.680  124.771   39.188  154.872   49.312   97.364   16.720  108.041   18.970 -10.67709 25.28652 
1 1 1   -6   29   27 o  379.050   14.028  1829.83  132.785  1874.31  183.730  1781.19  192.123  379.783   19.438  369.058   20.933 10.72513 28.56596 
1 1 1   -6   29   28 o  164.384   10.748  342.901   43.877  292.175   56.581  419.419   69.492  150.418   15.275  180.368   15.582 -29.94952 21.82014 
1 1 1   -6   29   29 o  383.426   13.751  1873.92  131.664  1852.04  180.930  1898.54  191.961  377.050   19.280  380.952   20.251 -3.902008 27.96166 
1 1 1   -6   29   30 o  329.990   12.997  1386.50  107.098  1425.91  146.727  1341.56  156.682  331.430   17.793  320.081   19.698 11.34848 26.54459 
1 1 1   -6   29   31 o  255.091   13.682  833.647   86.841  844.593   98.426  795.189  184.493  255.863   15.477  236.326   32.092 19.53665 35.62934 
1 1 1   -6   29   32 o  184.568   16.413  443.705   74.858  441.174   86.939  450.961  147.201  182.586   19.363  174.291   35.036 8.294846 40.03053 
1 1 1   -6   29   33 o   30.983   14.079 -13.2398   23.758 -19.3441   24.243  134.825  119.395   29.723   13.766   98.748   36.533 -69.02538 39.04083 
1 1 1   -6   29   34 o  120.488   17.336  192.989   50.658  200.106   55.034  153.507  129.626  122.180   18.627  102.762   38.057 19.41814 42.37078 
1 1 1   -6   29   35 o  124.437   13.196  201.027   40.380  201.541   55.116  200.432   59.328  122.378   18.623  121.240   20.314 1.137848 27.55866 
1 1 1   -6   29   36 o  121.476   13.135  192.050   39.212  204.051   53.676  178.317   57.421  123.186   17.978  113.570   21.021 9.616531 27.66062 
1 1 1   -6   29   37 o  129.313   12.905  217.568   41.115  232.882   56.928  200.869   59.446  131.558   17.784  120.668   20.459 10.88981 27.10788 
1 1 1   -6   29   38 o  103.689   12.808  140.754   32.458  108.584   41.930  188.857   51.273   88.268   19.539  117.954   17.975 -29.68604 26.54948 
1 1 1   -6   29   39 o  103.527   13.291  141.093   33.568  132.618   43.662  153.343   52.492   98.065   18.508  104.401   20.864 -6.336319 27.88990 
1 1 1   -6   29   40 o  120.734   12.875  190.964   38.218  181.926   50.753  202.801   58.083  115.196   18.251  120.748   19.960 -5.552376 27.04663 
1 1 1   -6   29   41 o  160.797   18.667  354.079   73.561   0.0000   0.0000  354.079   73.561  ?   ?   160.797   18.667 0.000000 18.66701 
1 1 1   -6   29   42 o  112.248   21.449  180.379   57.931   0.0000   0.0000  180.379   57.931  ?   ?   112.248   21.449 0.000000 21.44938 
1 1 1   -6   29   43 o  135.245   20.920  260.353   68.373   0.0000   0.0000  260.353   68.373  ?   ?   135.245   20.920 0.000000 20.92006 
1 1 1   -6   30    1 o   44.877   15.052   25.424   19.887   77.925   49.707   15.418   21.699   73.745   23.749   40.092   15.409 33.65327 28.31038 
1 1 1   -6   30    2 o   72.276   22.064   73.688   43.469   91.228   60.098   54.444   62.951   79.494   26.149   67.933   26.209 11.56056 37.02274 
1 1 1   -6   30    3 o   39.240   14.976   14.720   20.409 -43.9350   50.197   26.336   22.338   40.975   19.250   46.377   15.948 -5.401943 24.99799 
1 1 1   -6   30    4 o   69.595   14.943   65.188   25.194   30.307   52.259   75.751   28.757   58.686   23.497   74.864   15.875 -16.17801 28.35683 
1 1 1   -6   30    5 o   49.785   15.924   31.907   22.375   10.250   49.457   37.481   25.089   52.201   22.060   53.542   16.833 -1.341099 27.74852 
1 1 1   -6   30    6 o  203.814   11.475  531.385   58.164  505.410   87.353  552.074   77.959  195.323   18.115  205.887   15.272 -10.56432 23.69372 
1 1 1   -6   30    7 o   26.632   12.035  -8.7095   17.073   20.053   45.042 -13.5355   18.450   53.378   21.658   26.350   12.135 27.02838 24.82572 
1 1 1   -6   30    8 o  135.729   14.509  239.541   48.417  275.840   94.842  226.747   56.306  138.807   28.320  130.771   17.697 8.036636 33.39510 
1 1 1   -6   30    9 f  114.836   15.393  172.809   43.030  135.124   84.443  186.026   50.009   97.101   30.922  118.467   17.425 -21.36658 35.49345 
1 1 1   -6   30   10 o  125.327   10.988  200.751   34.043  217.536   52.993  188.956   44.421  128.566   16.917  120.326   15.117 8.239967 22.68700 
1 1 1   -6   30   11 o  112.406   12.104  162.505   33.440  152.146   51.535  170.039   43.949  106.088   20.191  113.858   15.890 -7.770905 25.69359 
1 1 1   -6   30   12 o  252.550   11.486  809.602   72.437  798.186  102.483  820.998  102.400  248.050   16.641  251.730   16.379 -3.679962 23.34951 
1 1 1   -6   30   13 o   50.277   15.877   32.246   22.297   33.160   38.549   31.786   27.334   55.816   20.737   51.408   17.643 4.408352 27.22714 
1 1 1   -6   30   14 o  139.824   17.967  257.105   61.284  243.834   76.987  280.060  101.253  133.604   23.955  140.414   29.799 -6.809128 38.23389 
1 1 1   -6   30   15 o   56.139   22.020   27.191   45.012   57.446   52.743 -53.9177   86.359   68.939   24.448   56.591   26.131 12.34825 35.78430 
1 1 1   -6   30   16 o  148.215   10.561  279.127   38.831  315.499   54.510  241.651   55.331  156.606   14.089  136.075   16.629 20.53064 21.79536 
1 1 1   -6   30   17 o  142.289   10.747  257.464   37.906  304.180   53.215  209.348   54.007  153.805   14.009  126.224   17.614 27.58124 22.50549 
1 1 1   -6   30   18 o   53.258   16.571   36.429   24.387   11.887   35.349   58.718   33.687   46.707   19.096   66.433   19.215 -19.72542 27.08983 
1 1 1   -6   30   19 o  257.831   12.029  843.161   77.448  963.969  107.198  711.243  112.018  273.752   15.748  233.207   19.412 40.54514 24.99591 
1 1 1   -6   30   20 o   58.679   16.352   45.554   24.854   29.416   34.110   63.821   36.290   52.822   19.530   69.151   19.926 -16.32903 27.90128 
1 1 1   -6   30   21 f  138.553   11.226  244.482   38.507  212.964   51.398  284.807   58.137  127.773   16.493  148.219   15.959 -20.44535 22.95041 
1 1 1   -6   30   22 o   94.049   22.222  120.630   51.362   0.0000   0.0000  120.630   51.362  ?   ?    94.049   22.222 0.000000 22.22229 
1 1 1   -6   30   23 o  106.951   22.542  155.665   58.307  155.665   58.307   0.0000   0.0000  106.951   22.542  ?   ?  0.000000 22.54204 
1 1 1   -6   30   24 o  258.240   11.831  845.505   76.296  928.105  103.723  748.119  112.624  268.681   15.525  239.405   18.995 29.27640 24.53224 
1 1 1   -6   30   25 o  127.586   11.308  207.704   35.653  200.696   46.134  218.096   56.181  124.339   15.173  128.754   17.963 -4.414551 23.51315 
1 1 1   -6   30   26 o  258.113   11.403  844.299   73.500  918.598   98.828  752.338  109.949  267.480   14.854  240.168   18.474 27.31236 23.70550 
1 1 1   -6   30   27 o  145.385   10.870  269.055   39.178  249.674   50.337  298.833   62.398  138.904   14.737  151.350   16.793 -12.44527 22.34212 
1 1 1   -6   30   28 o   69.571   15.625   64.597   26.482   70.093   33.060   54.754   44.240   72.073   18.327   65.962   22.448 6.110764 28.97946 
1 1 1   -6   30   29 o  191.742   10.720  467.342   51.123  441.354   66.325  505.383   80.246  184.969   14.475  197.108   16.453 -12.13857 21.91409 
1 1 1   -6   30   30 o  212.693   11.245  576.247   59.513  603.497   77.814  537.846   92.374  216.283   14.491  202.082   18.511 14.20148 23.50842 
1 1 1   -6   30   31 o  116.830   11.396  175.222   32.825  169.189   41.278  185.600   54.137  113.695   14.897  117.543   19.099 -3.847511 24.22212 
1 1 1   -6   30   32 o   92.572   12.642  111.537   28.460   84.835   35.057  163.161   48.744   78.954   18.159  110.189   18.361 -31.23463 25.82368 
1 1 1   -6   30   33 o  162.935   10.690  339.199   43.253  352.402   55.329  318.453   69.358  164.968   13.551  154.502   18.335 10.46629 22.79867 
1 1 1   -6   30   34 f  143.562   13.861  268.460   49.074  276.148   52.289  211.649  142.146  145.293   14.610  113.419   40.145 31.87371 42.72074 
1 1 1   -6   30   35 o  163.477   16.867  355.202   67.868  357.562   75.692  345.524  153.286  162.750   18.981  141.279   41.023 21.47061 45.20172 
1 1 1   -6   30   36 o   68.537   19.087   65.110   33.876   67.744   35.046   27.611  132.255   69.816   19.403   77.924   34.467 -8.107986 39.55280 
1 1 1   -6   30   37 o  256.439   19.122  891.228  121.574  1008.26  151.365  678.487  204.076  268.497   22.791  195.035   43.053 73.46194 48.71353 
1 1 1   -6   30   38 o   94.534   17.848  122.989   40.589  125.943   42.515   92.588  136.403   95.372   18.519   86.817   36.659 8.554848 41.07153 
1 1 1   -6   30   39 o   46.010   16.803   24.255   25.128   27.500   25.610 -59.5349  130.137   47.810   17.027   65.781   30.933 -17.97103 35.30988 
1 1 1   -6   30   40 o   80.027   14.959   86.821   28.795   76.199   35.183  108.369   50.112   73.438   19.030   85.975   22.922 -12.53668 29.79202 
1 1 1   -6   30   41 o  206.389   13.437  559.828   68.875  587.194  101.728  536.667   93.587  205.258   20.105  196.995   19.271 8.262543 27.84939 
1 1 1   -6   30   42 o  104.875   22.610  161.763   57.471   0.0000   0.0000  161.763   57.471  ?   ?   104.875   22.610 0.000000 22.61006 
1 1 1   -6   31    1 o   30.055   12.922   0.2845   17.489 -16.0503   50.843   2.4767   18.626   45.173   20.553   31.866   13.506 13.30704 24.59374 
1 1 1   -6   31    2 o   98.995   13.411  130.670   32.300  132.825   61.252  129.840   38.015   92.892   25.589   97.317   16.213 -4.424599 30.29304 
1 1 1   -6   31    3 o   36.052   14.130   11.139   18.523 -15.4413   49.674   15.432   19.963   45.310   20.497   39.110   14.839 6.200005 25.30471 
1 1 1   -6   31    4 o   52.923   21.271   24.541   43.004   43.458   57.402   0.3402   64.926   63.046   24.823   55.010   24.249 8.035511 34.70178 
1 1 1   -6   31    5 o  109.321   13.073  156.842   34.980  119.805   62.554  173.692   42.193   89.751   26.248  114.201   15.171 -24.45007 30.31701 
1 1 1   -6   31    6 o   42.279   15.196   20.360   20.442   28.143   48.734   18.699   22.518   56.538   22.672   42.327   15.825 14.21091 27.64832 
1 1 1   -6   31    7 o   24.275   11.225 -12.5496   16.019 -77.8269   48.231  -4.4557   16.983   35.225   17.143   28.022   12.375 7.203547 21.14300 
1 1 1   -6   31    8 o  103.055   13.080  138.665   32.902  105.537   56.807  155.388   40.362   85.902   24.982  108.340   15.348 -22.43813 29.32033 
1 1 1   -6   31    9 o  194.943   11.221  486.225   54.396  479.859   80.972  491.461   73.435  190.616   17.196  194.025   15.280 -3.408951 23.00385 
1 1 1   -6   31   10 o   43.684   16.383   19.375   24.170   99.919   76.869   10.538   25.461   85.125   29.566   40.396   16.321 44.72900 33.77157 
1 1 1   -6   31   11 o   32.201   13.771   0.1350   19.670   20.048   45.048  -4.5560   21.864   53.362   21.656   32.180   14.132 21.18141 25.85954 
1 1 1   -6   31   12 o   35.400   14.469   6.5036   20.286  -8.6011   41.894   11.130   23.186   43.981   19.429   39.360   15.688 4.620918 24.97132 
1 1 1   -6   31   13 o   40.895   15.418   16.327   21.465   41.524   40.720   6.6313   25.259   59.520   21.442   38.790   16.031 20.73010 26.77228 
1 1 1   -6   31   14 o  168.172   10.946  360.493   45.718  366.688   65.913  354.749   63.467  167.740   15.927  165.115   15.577 2.625168 22.27761 
1 1 1   -6   31   15 f   61.069   16.000   49.934   24.692  103.340   41.344   20.323   30.785   87.176   19.482   47.392   18.316 39.78323 26.73979 
1 1 1   -6   31   16 f  142.383   14.426  262.573   50.583  260.399   56.977  270.664  109.900  141.024   16.491  135.467   32.831 5.557617 36.73939 
1 1 1   -6   31   17 o  108.219   21.433  159.594   55.871  179.783   67.527  115.776   99.482  113.747   24.497   93.051   33.515 20.69666 41.51312 
1 1 1   -6   31   18 o  344.036   12.974  1510.00  111.466  1622.18  156.191  1393.56  159.125  352.914   17.780  325.538   19.667 27.37552 26.51239 
1 1 1   -6   31   19 o  173.970   10.999  385.197   47.540  352.564   65.292  422.016   69.354  164.630   16.087  180.474   15.540 -15.84398 22.36763 
1 1 1   -6   31   20 o  121.080   11.744  187.905   35.063  193.160   47.990  181.887   51.355  121.397   16.237  117.066   18.155 4.331696 24.35674 
1 1 1   -6   31   21 o  102.630   19.770  142.060   48.830   0.0000   0.0000  142.060   48.830  ?   ?   102.630   19.770 0.000000 19.77022 
1 1 1   -6   31   22 o   90.601   18.204  110.224   39.756  110.224   39.756   0.0000   0.0000   90.601   18.204  ?   ?  0.000000 18.20350 
1 1 1   -6   31   23 o  234.790   11.268  699.572   66.066  711.643   89.185  684.894   98.347  234.769   15.296  229.246   17.307 5.523163 23.09766 
1 1 1   -6   31   24 o  339.915   13.378  1476.52  113.553  1590.83  155.909  1347.38  165.716  349.249   17.937  318.900   20.925 30.34872 27.56111 
1 1 1   -6   31   25 o  178.813   14.127  412.268   62.566  419.407   89.811  405.537   87.210  177.262   20.678  174.419   20.409 2.843765 29.05310 
1 1 1   -6   31   26 o  148.795   14.266  286.599   52.356  348.795   76.256  231.133   72.012  162.084   19.214  129.809   23.060 32.27545 30.01586 
1 1 1   -6   31   27 o  105.327   12.191  143.228   31.473  164.352   40.503  111.035   50.000  112.091   14.834   89.451   22.426 22.64023 26.88846 
1 1 1   -6   31   28 o   42.466   16.031   17.695   23.223   6.8157   28.848   37.727   39.146   41.039   17.061   57.488   20.975 -16.44861 27.03761 
1 1 1   -6   31   29 o   89.365   13.184  104.429   28.537   88.629   35.526  133.163   47.911   80.752   18.069   98.641   20.132 -17.88884 27.05129 
1 1 1   -6   31   30 o   72.038   15.176   69.571   26.438   67.079   32.758   74.228   44.778   70.078   18.461   73.503   22.383 -3.424316 29.01449 
1 1 1   -6   31   31 o   62.879   15.952   53.483   25.087   65.502   30.614   28.912   43.772   69.271   17.648   55.484   21.729 13.78713 27.99262 
1 1 1   -6   31   32 o   87.724   13.351  101.267   28.324   87.390   34.956  127.792   48.330   79.879   17.960   95.821   20.795 -15.94183 27.47742 
1 1 1   -6   31   33 o   69.463   15.227   65.226   25.684   44.195   31.186  109.565   45.282   57.925   18.826   88.368   20.856 -30.44318 28.09614 
1 1 1   -6   31   34 o  119.936   11.520  186.159   34.080  165.326   42.541  223.480   56.939  111.281   15.748  128.342   18.283 -17.06151 24.13025 
1 1 1   -6   31   35 o  148.212   11.319  283.602   41.577  303.999   52.851  250.484   67.345  152.150   14.069  134.212   20.764 17.93785 25.08184 
1 1 1   -6   31   36 o  102.273   12.308  136.961   30.802  107.342   37.364  199.786   54.417   88.279   17.567  120.579   18.676 -32.30074 25.63951 
1 1 1   -6   31   37 o  199.766   14.188  525.189   70.317  570.247   76.925  296.204  173.415  207.626   14.936  121.191   44.159 86.43504 46.61621 
1 1 1   -6   31   38 o   71.473   17.303   71.143   30.552   73.115   31.272   29.804  143.173   72.405   17.492   77.748   35.018 -5.342987 39.14347 
1 1 1   -6   31   39 o   54.834   17.917   40.249   28.234   32.226   28.769  249.924  147.071   50.917   18.056  113.452   40.762 -62.53519 44.58190 
1 1 1   -6   31   40 o  103.291   17.196  147.109   42.796  140.391   44.620  224.231  151.194  100.124   18.529  106.627   40.747 -6.503036 44.76192 
1 1 1   -6   31   41 o  102.697   41.510  216.155  164.790   0.0000   0.0000  216.155  164.790  ?   ?   102.697   41.510 0.000000 41.51020 
1 1 1   -6   31   42 o   91.330   38.829  151.197  154.752   0.0000   0.0000  151.197  154.752  ?   ?    91.330   38.829 0.000000 38.82940 
1 1 1   -6   32    1 o   77.973   17.483   88.200   33.201  359.159  147.398   73.718   34.077  122.735   40.979   70.399   18.960 52.33618 45.15270 
1 1 1   -6   32    2 o   70.053   16.161   69.596   27.695   67.137   61.136   70.231   31.066   67.794   25.910   69.636   17.798 -1.842194 31.43365 
1 1 1   -6   32    3 o   36.968   14.370   12.909   19.035   51.324   52.254   7.0317   20.439   62.457   23.934   35.004   14.440 27.45369 27.95252 
1 1 1   -6   32    4 o   24.419   11.167  -9.2152   15.253 -19.7583   50.358  -8.1502   16.004   44.260   20.259   25.510   11.578 18.75019 23.33413 
1 1 1   -6   32    5 o   57.367   15.893   45.549   23.552   74.437   53.730   38.677   26.204   71.590   24.727   53.511   17.245 18.07877 30.14633 
1 1 1   -6   32    6 o   58.606   22.975   37.562   48.977   34.161   61.486   43.466   81.011   61.047   25.098   67.878   28.435 -6.830509 37.92671 
1 1 1   -6   32    7 o   39.370   15.097   14.978   20.799  -6.9148   50.938   19.359   22.785   47.814   21.257   42.557   15.917 5.257416 26.55599 
1 1 1   -6   32    8 o   86.279   14.165   99.467   29.460   85.359   55.113  105.110   34.859   76.932   25.028   87.795   16.506 -10.86239 29.98088 
1 1 1   -6   32    9 o   72.937   15.378   72.189   27.126   35.428   51.249   86.497   31.972   59.379   23.431   79.552   16.630 -20.17270 28.73246 
1 1 1   -6   32   10 o  171.515   10.910  377.767   46.483  428.637   71.696  340.879   61.053  179.885   16.132  160.696   15.403 19.18944 22.30464 
1 1 1   -6   32   11 o   94.277   12.868  116.472   29.504  179.030   52.687   87.891   35.612  114.489   19.101   79.889   18.251 34.60030 26.41873 
1 1 1   -6   32   12 o  153.522   14.660  308.552   55.518  335.856  100.664  296.616   66.556  152.090   27.518  148.619   18.321 3.470963 33.05900 
1 1 1   -6   32   13 o  113.059   12.353  165.745   34.309  177.227   54.656  158.278   44.074  113.800   19.961  108.807   16.759 4.993622 26.06335 
1 1 1   -6   32   14 o   91.674   13.202  110.089   29.352  114.641   47.814  107.337   37.182   90.630   21.459   89.095   17.336 1.534531 27.58629 
1 1 1   -6   32   15 o   46.113   16.171   25.075   23.022   23.647   41.407   25.714   27.698   52.899   21.002   48.212   17.636 4.686890 27.42421 
1 1 1   -6   32   16 o  132.968   11.490  227.086   37.776  200.328   55.393  250.350   51.651  122.025   18.781  138.269   15.210 -16.24392 24.16755 
1 1 1   -6   32   17 o  148.453   11.217  282.209   41.275  271.906   58.967  292.105   57.793  143.532   16.768  149.291   15.739 -5.758606 22.99732 
1 1 1   -6   32   18 o  131.996   15.001  227.813   48.569  243.444   54.018  161.857  110.964  135.997   16.226  103.918   35.551 32.07921 39.07903 
1 1 1   -6   32   19 o   92.760   23.404  120.824   54.212  130.285   63.595   95.668  103.696   95.529   25.974   87.490   33.670 8.038506 42.52479 
1 1 1   -6   32   20 o   84.842   19.579   98.645   40.638   0.0000   0.0000   98.645   40.638  ?   ?    84.842   19.579 0.000000 19.57870 
1 1 1   -6   32   21 o   87.855   18.393  104.769   39.059  116.859   41.688   17.887  111.753   92.818   18.633   74.291   32.302 18.52653 37.29052 
1 1 1   -6   32   22 o   92.321   13.499  111.540   30.201  100.564   41.316  124.135   44.258   85.614   19.730   95.500   19.224 -9.886513 27.54689 
1 1 1   -6   32   23 o  164.658   11.162  346.689   45.626  361.250   60.615  327.653   69.304  166.678   14.714  157.154   17.983 9.524567 23.23582 
1 1 1   -6   32   24 o  201.527   11.010  518.441   55.197  593.378   73.980  424.342   82.900  214.279   13.901  178.470   18.888 35.80925 23.45178 
1 1 1   -6   32   25 o  146.203   11.282  273.996   40.872  295.672   53.843  244.523   62.786  150.679   14.488  134.817   19.191 15.86186 24.04601 
1 1 1   -6   32   26 o  121.589   11.678  190.456   35.022  214.842   45.492  154.973   54.873  128.200   14.463  105.759   21.510 22.44035 25.91994 
1 1 1   -6   32   27 o  121.193   14.981  193.085   44.375  207.440   64.365  180.080   61.261  122.466   21.848  113.651   22.382 8.814522 31.27743 
1 1 1   -6   32   28 o   71.967   19.438   71.464   35.756   40.114   53.096   97.479   48.367   62.018   24.030   83.103   22.675 -21.08573 33.03934 
1 1 1   -6   32   29 o   96.135   12.778  120.823   29.915  126.617   37.838  111.163   48.857   97.224   16.152   88.701   22.130 8.523178 27.39702 
1 1 1   -6   32   30 o   29.014   13.172 -11.0514   20.740 -17.6143   25.275   2.4750   36.286   30.797   14.191   43.505   18.656 -12.70807 23.44015 
1 1 1   -6   32   31 o   64.441   15.687   56.545   25.007   64.612   30.802   40.947   42.832   68.442   17.840   59.015   21.872 9.427158 28.22493 
1 1 1   -6   32   32 o  155.206   10.885  309.988   41.923  332.272   53.193  273.454   68.109  159.474   13.484  140.964   19.902 18.50974 24.03950 
1 1 1   -6   32   33 o   65.172   15.914   58.215   25.675   73.614   31.426   27.302   44.525   72.903   17.487   54.492   21.733 18.41018 27.89442 
1 1 1   -6   32   34 o   87.539   13.588  101.966   28.740  107.807   35.377   90.628   49.287   88.831   16.557   78.939   23.360 9.891930 28.63268 
1 1 1   -6   32   35 o   37.539   15.079   10.247   21.600   27.735   25.492 -34.2721   40.672   47.831   16.993   37.106   17.399 10.72468 24.32038 
1 1 1   -6   32   36 o   58.246   16.172   46.720   24.357   34.532   28.950   76.256   45.067   52.114   18.142   72.681   22.513 -20.56696 28.91287 
1 1 1   -6   32   37 o  137.895   11.302  247.125   38.575  242.810   48.187  254.824   64.367  134.989   14.523  134.968   19.676 0.2105713E-01 24.45585 
1 1 1   -6   32   38 o   85.059   13.728   97.129   28.167   84.383   33.742  126.431   51.160   77.464   17.814   92.702   22.359 -15.23735 28.58799 
1 1 1   -6   32   39 o   93.855   13.129  117.435   29.928  115.189   35.890  122.563   54.226   91.440   16.316   90.160   23.753 1.280754 28.81692 
1 1 1   -6   32   40 o   57.902   17.581   46.774   27.654   48.001   28.082   7.4331  159.018   58.582   17.701   74.903   34.885 -16.32021 39.11838 
1 1 1   -6   32   41 o   85.182   37.921  109.504  162.656   0.0000   0.0000  109.504  162.656  ?   ?    85.182   37.921 0.000000 37.92149 
1 1 1   -6   33    1 o   24.404   11.246  -9.9725   15.880   6.1057   54.119 -11.4874   16.612   48.426   21.693   24.592   11.392 23.83381 24.50201 
1 1 1   -6   33    2 o   32.843   13.548   6.8373   17.992   37.111   55.068   3.2197   19.036   56.408   23.521   31.954   13.603 24.45389 27.17112 
1 1 1   -6   33    3 o   39.317   15.280   15.975   21.518  135.310  134.794   12.854   21.797   80.966   35.335   37.975   15.186 42.99182 38.45967 
1 1 1   -6   33    4 o   40.224   15.042   18.426   20.347 -43.6813   54.457   28.503   21.936   41.239   19.576   46.310   15.807 -5.071033 25.16121 
1 1 1   -6   33    5 o   42.961   15.403   22.716   20.989   16.406   54.007   23.839   22.779   52.627   22.668   44.158   16.018 8.468937 27.75598 
1 1 1   -6   33    6 o   38.992   14.788   16.045   19.821  -4.6154   51.794   19.590   21.454   47.517   21.258   41.589   15.467 5.928459 26.28918 
1 1 1   -6   33    7 o   82.277   14.457   92.402   28.620   85.848   58.038   94.507   32.897   74.956   25.710   82.190   16.600 -7.234390 30.60333 
1 1 1   -6   33    8 o   44.186   19.943 -12.3330   46.719   4.5321   56.770 -47.7234   82.237   51.969   22.799   52.404   24.626 -0.4359665 33.55900 
1 1 1   -6   33    9 o   68.957   15.329   65.510   25.713  107.497   53.254   52.745   29.363   84.495   24.073   61.386   17.992 23.10841 30.05405 
1 1 1   -6   33   10 o  103.711   13.176  142.456   33.355  152.167   58.408  137.757   40.632  101.487   23.509  100.228   16.831 1.259331 28.91230 
1 1 1   -6   33   11 o   68.938   15.697   65.278   26.418   95.855   51.785   54.521   30.715   80.664   23.961   62.629   18.415 18.03553 30.22012 
1 1 1   -6   33   12 o   93.278   13.352  115.274   30.213  173.747   54.333   89.100   36.351  111.269   20.302   79.787   18.590 31.48154 27.52728 
1 1 1   -6   33   13 o   23.033   10.922 -19.5351   16.861  -9.8244   43.824 -21.2222   18.267   43.995   19.627   23.931   11.353 20.06391 22.67457 
1 1 1   -6   33   14 o   42.600   16.272   17.880   24.103 -29.5003   71.839   23.891   25.586   52.671   24.142   46.144   16.939 6.526878 29.49165 
1 1 1   -6   33   15 o   66.301   17.938   60.675   30.420   67.669   73.387   59.224   33.426   73.776   28.342   65.495   19.197 8.280579 34.23140 
1 1 1   -6   33   16 o  173.979   10.963  388.803   47.388  435.002   68.671  346.803   65.476  181.741   15.273  161.467   16.469 20.27451 22.46075 
1 1 1   -6   33   17 o  110.297   11.932  157.938   32.341  185.141   50.332  138.808   42.208  116.998   17.787  101.224   17.321 15.77500 24.82727 
1 1 1   -6   33   18 o  172.637   10.792  382.149   46.293  428.888   66.365  337.852   64.608  180.886   14.822  159.533   16.454 21.35294 22.14544 
1 1 1   -6   33   19 o   34.203   15.053  -4.9083   24.921   0.0000   0.0000  -4.9083   24.921  ?   ?    34.203   15.053 0.000000 15.05262 
1 1 1   -6   33   20 o   65.883   20.937   58.928   38.729   82.159   41.297 -110.6215  111.567   76.565   20.978   57.169   27.381 19.39649 34.49339 
1 1 1   -6   33   21 o   58.562   22.320   37.227   45.292   23.526   49.431  108.902  113.060   55.588   22.638   89.518   34.959 -33.93036 41.64820 
1 1 1   -6   33   22 o  112.813   12.442  165.491   34.468  172.514   48.012  158.022   49.513  113.093   17.571  107.416   19.161 5.677193 25.99798 
1 1 1   -6   33   23 o   82.845   14.547   91.545   28.997   79.586   40.297  104.388   41.759   75.413   20.747   86.648   19.740 -11.23515 28.63759 
1 1 1   -6   33   24 o   80.906   14.615   87.493   28.441   79.182   39.061   96.871   41.493   75.262   20.312   83.236   20.173 -7.973816 28.62722 
1 1 1   -6   33   25 o   61.258   16.905   51.168   26.704   63.025   35.210   35.112   40.973   67.541   19.676   56.377   21.291 11.16367 28.99013 
1 1 1   -6   33   26 o  116.826   11.889  177.053   34.202  188.905   44.970  160.789   52.678  119.230   15.468  107.552   20.359 11.67815 25.56870 
1 1 1   -6   33   27 o   49.421   16.711   30.790   24.516   27.611   31.859   35.407   38.390   50.256   18.816   55.583   20.686 -5.326607 27.96331 
1 1 1   -6   33   28 o   33.957   14.603   0.0286   22.345  -5.5837   28.532   8.9308   35.935   36.372   16.052   45.109   18.919 -8.736828 24.81145 
1 1 1   -6   33   29 o   42.482   17.476   10.630   29.832   7.2116   46.046   13.102   39.163   49.265   21.068   47.879   19.889 1.385723 28.97338 
1 1 1   -6   33   30 o   66.356   19.603   61.491   34.735   71.423   51.538   53.225   47.018   71.437   24.229   64.056   23.044 7.380890 33.43793 
1 1 1   -6   33   31 o   73.918   19.263   77.152   35.918  119.940   54.904   45.139   47.490   90.123   23.977   61.098   22.954 29.02552 33.19272 
1 1 1   -6   33   32 o  139.566   11.352  252.760   39.221  263.741   49.203  233.623   64.956  141.146   14.150  128.597   20.948 12.54823 25.27965 
1 1 1   -6   33   33 o  230.070   11.367  683.737   65.306  703.397   84.678  654.881  102.591  230.308   14.802  218.117   19.026 12.19145 24.10542 
1 1 1   -6   33   34 o   52.637   16.521   37.370   24.180   47.509   29.058   14.543   43.601   58.665   18.062   49.721   20.846 8.943974 27.58226 
1 1 1   -6   33   35 o  104.052   12.453  142.852   31.715  145.641   38.883  137.310   54.817  103.616   15.504   96.189   23.110 7.426743 27.82871 
1 1 1   -6   33   36 o  132.068   11.659  227.965   38.057  238.784   47.079  207.566   64.647  133.713   14.322  119.126   22.557 14.58685 26.72002 
1 1 1   -6   33   37 o   48.338   16.245   30.443   23.164   17.474   27.046   66.153   44.877   43.325   17.045   67.795   22.611 -24.46974 28.31579 
1 1 1   -6   33   38 o   90.612   13.393  110.195   29.392  111.774   35.241  106.588   53.273   89.844   16.308   83.455   24.170 6.388733 29.15776 
1 1 1   -6   33   39 o   88.362   13.541  105.297   28.927   82.532   34.446  159.763   53.280   75.820   18.383  104.363   21.168 -28.54272 28.03631 
1 1 1   -6   33   40 o   43.692   19.624  -8.1998   44.602   0.0000   0.0000  -8.1998   44.602  ?   ?    43.692   19.624 0.000000 19.62416 
1 1 1   -6   34    1 o   38.569   15.143   16.503   21.304 -34.7763   59.173   24.139   22.835   42.103   20.104   42.848   15.952 -0.7453232 25.66393 
1 1 1   -6   34    2 o   36.422   14.583   12.719   20.130 -12.8300   57.821   16.242   21.474   45.287   21.073   38.705   15.201 6.582043 25.98331 
1 1 1   -6   34    3 o   46.655   16.207   30.331   23.097 -77.2438   59.051   49.761   25.096   37.820   18.526   57.733   16.552 -19.91252 24.84304 
1 1 1   -6   34    4 o   63.793   16.622   60.311   26.746   17.364   62.790   69.830   29.562   53.080   23.600   68.308   17.309 -15.22817 29.26699 
1 1 1   -6   34    5 o   25.797   11.734  -7.8408   16.554 -33.9678  137.111  -7.4543   16.676   61.409   29.651   26.035   11.817 35.37426 31.91903 
1 1 1   -6   34    6 o   52.122   16.405   38.637   23.824   24.078   56.427   41.795   26.281   54.031   23.220   53.964   17.257 0.6706238E-01 28.93097 
1 1 1   -6   34    7 o   67.559   16.506   65.803   27.609   61.567   60.501   66.917   31.028   65.093   25.531   67.407   18.066 -2.313530 31.27603 
1 1 1   -6   34    8 o   62.695   16.153   56.102   25.445   49.905   55.717   57.735   28.602   61.675   24.401   63.128   17.523 -1.452496 30.04146 
1 1 1   -6   34    9 o   97.132   13.277  127.339   31.362  174.562   59.752  109.383   36.845  106.784   23.081   87.610   17.454 19.17368 28.93701 
1 1 1   -6   34   10 o   45.251   20.277  -6.6469   47.324   32.517   56.426 -99.5240   86.895   57.850   23.939   47.649   23.148 10.20099 33.30047 
1 1 1   -6   34   11 o   36.071   14.411   10.334   19.612 -15.4271   48.903   15.271   21.409   44.324   20.163   39.476   15.269 4.847420 25.29224 
1 1 1   -6   34   12 o   56.178   16.374   43.835   24.380   40.860   51.079   44.713   27.744   59.496   23.419   56.772   17.677 2.723915 29.34148 
1 1 1   -6   34   13 f  174.043   11.652  395.067   50.347  436.406   76.321  363.217   66.992  178.495   17.341  163.286   16.663 15.20895 24.04927 
1 1 1   -6   34   14 f   84.278   14.303   95.989   29.026  120.068   52.186   85.204   34.926   89.785   23.132   77.591   18.319 12.19418 29.50751 
1 1 1   -6   34   15 o  110.409   12.193  160.098   33.056  212.348   55.339  131.110   41.219  123.753   18.473   97.238   17.624 26.51467 25.53111 
1 1 1   -6   34   16 o   41.121   16.089   15.356   23.982 -69.1246   71.862   25.943   25.440   46.584   22.219   46.818   16.936 -0.2336960 27.93731 
1 1 1   -6   34   17 o   37.622   15.433   8.2921   23.183 -25.4729   69.721   12.490   24.582   51.914   23.790   40.208   16.109 11.70562 28.73130 
1 1 1   -6   34   18 o   59.099   17.890   47.987   28.668   77.104   78.659   43.527   30.785   75.837   29.286   56.993   18.714 18.84363 34.75449 
1 1 1   -6   34   19 o  122.602   11.666  195.613   35.286  234.770   53.049  164.540   47.256  131.923   16.461  109.404   17.917 22.51930 24.33104 
1 1 1   -6   34   20 f   59.031   16.207   47.853   24.619   66.117   41.043   37.589   30.769   68.509   21.528   54.155   18.712 14.35389 28.52310 
1 1 1   -6   34   21 f   39.292   15.339   13.720   21.761   39.430   37.799   0.9747   26.614   56.662   20.621   37.090   15.944 19.57147 26.06567 
1 1 1   -6   34   22 o   19.684   9.7545 -41.3376   18.048 -36.7412   32.302 -43.4239   21.762   31.522   14.996   22.536   11.081 8.985800 18.64635 
1 1 1   -6   34   23 o   92.613   23.392  125.700   54.113  174.305   60.575 -66.3406  120.407  109.818   22.833   62.657   29.553 47.16106 37.34599 
1 1 1   -6   34   24 o   96.263   15.396  124.966   35.763  150.347   57.879  109.291   45.486  101.451   23.333   87.303   21.098 14.14805 31.45720 
1 1 1   -6   34   25 o   75.908   15.083   78.334   27.583   93.114   38.515   62.771   39.522   81.189   19.284   66.891   21.139 14.29841 28.61295 
1 1 1   -6   34   26 o   86.265   14.063   99.726   29.251   94.207   39.713  106.271   43.247   81.421   19.737   86.260   20.397 -4.838867 28.38329 
1 1 1   -6   34   27 o   46.906   16.767   26.443   24.856   15.344   33.199   40.599   37.495   45.613   18.561   56.870   20.562 -11.25639 27.70031 
1 1 1   -6   34   28 o  112.496   12.188  165.978   33.691  184.734   44.127  139.762   52.169  117.121   15.466   98.178   21.843 18.94345 26.76372 
1 1 1   -6   34   29 o   91.041   13.587  110.722   29.943   97.255   38.525  131.273   47.589   82.806   19.030   95.703   20.528 -12.89690 27.99196 
1 1 1   -6   34   30 o  128.658   11.604  216.070   36.881  205.109   47.063  233.514   59.371  123.197   15.651  129.411   18.932 -6.213943 24.56339 
1 1 1   -6   34   31 o   77.984   14.802   82.954   27.772   94.975   34.864   62.080   45.940   82.346   17.494   66.436   22.869 15.90985 28.79321 
1 1 1   -6   34   32 o   85.113   18.941  103.210   39.220   67.768   58.370  132.380   52.955   69.565   25.578   94.362   22.740 -24.79695 34.22499 
1 1 1   -6   34   33 o  115.835   16.590  184.204   46.617  169.268   69.313  196.541   62.993  103.911   26.599  115.487   22.652 -11.57571 34.93737 
1 1 1   -6   34   34 o  119.959   12.006  189.310   35.481  220.130   44.167  133.222   59.582  128.302   14.013   92.818   25.102 35.48389 28.74809 
1 1 1   -6   34   35 o   38.948   15.372   13.353   22.062   11.740   25.923   17.591   42.018   40.302   16.401   49.541   20.592 -9.238834 26.32548 
1 1 1   -6   34   36 o  182.812   11.504  436.889   52.249  454.961   66.053  406.677   85.404  184.201   14.477  168.221   20.772 15.97987 25.31862 
1 1 1   -6   34   37 o   54.766   16.613   41.751   24.701   48.118   28.964   24.774   47.298   58.406   18.041   53.233   21.964 5.173790 28.42320 
1 1 1   -6   34   38 o   71.066   15.682   70.780   27.084   66.429   31.963   81.855   50.999   67.737   18.413   73.042   24.092 -5.305412 30.32238 
1 1 1   -6   34   39 o   78.120   21.044   91.947   41.972   77.853   64.507  102.295   55.272   71.388   26.765   80.118   24.951 -8.729866 36.59139 
1 1 1   -6   34   40 o   64.314   23.638   60.244   49.844   0.0000   0.0000   60.244   49.844  ?   ?    64.314   23.638 0.000000 23.63781 
1 1 1   -6   35    1 o   55.741   23.082   53.198   52.507   13.458   70.884  101.517   78.161   50.074   23.311   65.923   27.789 -15.84903 36.27147 
1 1 1   -6   35    2 o   61.695   24.200   70.944   54.365   63.331   72.477   80.737   82.206   59.650   25.974   62.993   27.540 -3.343040 37.85645 
1 1 1   -6   35    3 o   46.034   16.129   30.521   22.899   23.450   61.207   31.672   24.692   51.537   23.079   46.839   16.715 4.698788 28.49662 
1 1 1   -6   35    4 o   23.169   10.885 -13.9729   16.053 -23.8316   60.513 -13.2266   16.649   44.090   20.843   23.918   11.189 20.17115 23.65584 
1 1 1   -6   35    5 o   30.260   13.125   1.0355   18.363 -15.6889   60.365   2.7410   19.277   45.648   21.338   31.567   13.569 14.08157 25.28691 
1 1 1   -6   35    6 o   28.483   12.495  -1.2028   17.050 -39.4320   58.156   2.3920   17.833   41.893   19.983   30.535   13.086 11.35878 23.88691 
1 1 1   -6   35    7 o   41.976   15.878   21.192   22.810   42.557  139.224   20.603   23.123   66.643   31.538   41.796   15.944 24.84679 35.33900 
1 1 1   -6   35    8 o   48.538   16.086   33.081   22.726   72.951   58.097   25.878   24.693   66.680   25.311   45.047   16.625 21.63275 30.28271 
1 1 1   -6   35    9 o   25.581   11.586  -6.9284   15.926 -66.9753   53.125  -0.9989   16.694   37.163   18.064   28.501   12.437 8.662464 21.93151 
1 1 1   -6   35   10 o   80.072   15.522   90.891   29.917   95.536   58.605   89.255   34.792   75.372   25.836   77.644   18.252 -2.271980 31.63262 
1 1 1   -6   35   11 o   51.442   16.309   37.122   23.510   52.990   52.603   33.161   26.281   61.652   23.910   49.613   17.285 12.03939 29.50292 
1 1 1   -6   35   12 o   69.854   24.770   76.109   54.139   98.014   63.754   19.463  102.521   76.914   26.914   64.136   29.183 12.77850 39.69908 
1 1 1   -6   35   13 f   44.363   15.754   24.753   21.908   18.471   50.731   26.193   24.290   52.051   22.183   45.830   16.553 6.220306 27.67837 
1 1 1   -6   35   14 o   47.213   16.184   29.223   22.996  -2.4644   50.853   37.369   25.783   47.419   21.150   52.178   17.126 -4.758949 27.21416 
1 1 1   -6   35   15 o   78.493   14.939   85.160   28.212   88.556   51.280   83.686   33.784   75.661   24.097   76.271   18.023 -0.6103210 30.09149 
1 1 1   -6   35   16 o   68.955   15.953   66.737   26.925   87.481   50.923   58.688   31.722   75.518   24.009   63.874   18.695 11.64408 30.42916 
1 1 1   -6   35   17 f   29.772   13.329  -6.6807   20.403 -26.2465   79.783  -5.3116   21.104   54.007   25.000   30.774   13.682 23.23305 28.49914 
1 1 1   -6   35   18 f   49.368   17.517   30.864   27.078 -39.2355   75.509   41.210   29.008   50.953   23.833   54.953   18.171 -3.999664 29.96992 
1 1 1   -6   35   19 o   54.935   17.636   41.415   27.425  173.660   73.783   20.215   29.542  103.773   27.879   45.447   17.835 58.32588 33.09550 
1 1 1   -6   35   20 o   61.974   16.244   53.764   25.444   83.696   44.422   39.147   31.041   75.064   22.167   54.351   18.793 20.71325 29.06127 
1 1 1   -6   35   21 o   55.210   16.481   42.149   24.455   54.217   42.770   36.287   29.808   62.689   22.038   52.769   18.406 9.920376 28.71376 
1 1 1   -6   35   22 f   57.795   16.535   46.535   25.071   24.767   40.694   59.851   31.828   51.429   20.684   64.832   18.655 -13.40311 27.85396 
1 1 1   -6   35   23 o   45.129   16.268   24.466   23.446   32.476   38.145   19.601   29.724   53.328   20.446   45.349   17.860 7.978828 27.14816 
1 1 1   -6   35   24 o   79.288   14.914   86.076   28.445   80.580   41.665   90.874   38.930   74.039   21.356   79.248   19.744 -5.209282 29.08449 
1 1 1   -6   35   25 o   73.587   23.597   80.756   49.111  100.613   52.819 -45.9354  133.417   81.245   24.215   65.589   30.988 15.65572 39.32712 
1 1 1   -6   35   26 o   43.353   17.248   16.664   27.985   45.913   45.097  -1.6520   35.687   59.879   22.393   41.178   18.070 18.70061 28.77462 
1 1 1   -6   35   27 o   71.144   15.797   70.435   27.334   87.640   38.178   52.341   39.152   77.744   19.654   61.408   21.113 16.33602 28.84564 
1 1 1   -6   35   28 o  105.629   12.693  148.231   32.811  151.890   44.133  143.710   49.060  104.229   17.582   99.533   20.423 4.695679 26.94849 
1 1 1   -6   35   29 o   64.990   16.701   59.574   27.251   96.992   36.225   10.788   41.363   82.562   18.072   47.226   20.076 35.33545 27.01209 
1 1 1   -6   35   30 o  100.212   13.095  134.281   31.986  147.251   41.611  115.547   50.009  102.972   16.758   87.448   22.701 15.52412 28.21691 
1 1 1   -6   35   31 o  139.501   11.488  255.156   39.665  278.689   50.959  218.982   63.180  143.953   14.368  122.303   21.470 21.65006 25.83410 
1 1 1   -6   35   32 o   49.525   16.944   32.226   25.205   30.186   31.671   35.750   41.628   50.220   18.769   55.122   21.300 -4.901127 28.38918 
1 1 1   -6   35   33 o   66.243   16.406   61.991   26.998   55.920   33.188   73.868   46.422   62.401   19.318   70.251   22.976 -7.850426 30.01774 
1 1 1   -6   35   34 o   39.446   17.312  -1.3152   32.762 -28.1662   51.623   16.792   42.393   43.002   19.977   49.093   20.568 -6.090820 28.67235 
1 1 1   -6   35   35 o  134.645   16.280  250.494   53.627  260.098   80.441  242.812   71.947  128.372   25.985  126.179   23.704 2.192619 35.17228 
1 1 1   -6   35   36 o   95.815   13.832  124.738   32.138  113.754   38.807  148.717   57.337   88.984   18.081   97.748   23.729 -8.763802 29.83212 
1 1 1   -6   35   37 o   70.400   16.062   70.305   27.613   69.466   33.079   72.232   50.150   68.776   18.747   68.774   23.881 0.1960754E-02 30.36041 
1 1 1   -6   35   38 o  129.355   16.434  234.181   51.886  238.574   80.388  231.044   67.931  119.675   27.479  122.493   23.054 -2.817375 35.86895 
1 1 1   -6   35   39 o  100.147   25.059  163.516   62.516   0.0000   0.0000  163.516   62.516  ?   ?   100.147   25.059 0.000000 25.05879 
1 1 1   -6   36    1 o   53.293   23.094   54.593   56.738   50.498   74.264   60.336   87.937   52.876   24.350   54.505   25.565 -1.628826 35.30561 
1 1 1   -6   36    2 o   59.214   24.128   73.351   56.194  160.058   74.341 -42.2332   85.832   78.137   28.844   45.062   22.127 33.07479 36.35301 
1 1 1   -6   36    3 o   47.098   21.237   18.761   52.826   50.870   67.941 -30.3245   84.003   55.103   24.521   46.627   22.676 8.475433 33.39921 
1 1 1   -6   36    4 o   48.216   21.860   16.921   56.861   25.533   70.872   1.3626   95.258   52.023   23.894   52.268   25.104 -0.2448845 34.65730 
1 1 1   -6   36    5 o   32.055   13.723   4.4260   19.570 -12.8295   61.081   6.3999   20.659   44.915   21.143   33.486   14.210 11.42936 25.47476 
1 1 1   -6   36    6 o   43.139   15.979   25.072   22.854   26.675   65.165   24.848   24.404   52.819   23.722   43.384   16.420 9.434296 28.85042 
1 1 1   -6   36    7 o   27.960   12.452  -3.1385   17.557 -121.0873   60.633   7.6570   18.343   34.048   17.032   32.951   13.644 1.097134 21.82311 
1 1 1   -6   36    8 o   26.826   12.039  -4.6792   16.750 -141.8087   61.894   6.1573   17.399   33.221   16.701   31.774   13.233 1.447466 21.30762 
1 1 1   -6   36    9 o   59.642   18.106   54.715   29.333  -2.6049  139.181   57.379   30.007   61.273   29.655   60.940   18.271 0.3325920 34.83169 
1 1 1   -6   36   10 o   57.938   16.515   49.942   25.057   92.699   59.528   40.735   27.624   71.737   25.913   52.660   17.739 19.07637 31.40309 
1 1 1   -6   36   11 o   37.705   14.691   14.870   19.931   29.422   53.833   12.558   21.456   53.627   22.853   37.334   15.018 16.29301 27.34575 
1 1 1   -6   36   12 o   37.544   14.839   13.706   20.587   19.150   52.728   12.727   22.361   51.226   22.230   37.967   15.310 13.25840 26.99235 
1 1 1   -6   36   13 o   52.733   16.741   39.973   24.766   21.606   53.995   44.866   27.870   52.446   22.628   55.431   17.776 -2.984562 28.77506 
1 1 1   -6   36   14 o   51.387   21.947   20.921   49.845   28.089   56.683  -3.5249  104.680   54.962   23.437   60.010   28.066 -5.047508 36.56496 
1 1 1   -6   36   15 o   40.348   15.143   18.681   20.658   6.5898   49.150   21.275   22.766   47.911   21.110   42.488   15.906 5.423752 26.43225 
1 1 1   -6   36   16 o   48.292   16.545   31.495   24.033   80.827  103.216   28.667   24.712   72.774   31.342   46.936   16.725 25.83817 35.52501 
1 1 1   -6   36   17 o   24.514   11.387 -12.8719   16.769   8.3028   48.464 -15.7519   17.873   48.389   21.150   24.686   11.562 23.70293 24.10435 
1 1 1   -6   36   18 o   37.797   14.904   13.230   20.722   57.501   47.639   2.8996   23.013   62.944   23.113   34.769   14.882 28.17525 27.48972 
1 1 1   -6   36   19 o   31.299   13.503   0.5599   19.226  -3.7402   44.700   1.5360   21.297   44.307   19.791   33.152   14.257 11.15478 24.39112 
1 1 1   -6   36   20 o   75.067   17.702   81.526   32.644   69.760   79.979   83.878   35.758   70.074   28.695   75.467   18.990 -5.393806 34.40955 
1 1 1   -6   36   21 o   47.240   17.152   27.915   26.130  -6.5334   73.967   32.827   27.931   54.301   24.739   50.093   17.788 4.207680 30.47045 
1 1 1   -6   36   22 o   62.339   16.100   55.186   25.238  128.565   43.918   19.005   30.839   93.790   19.392   45.057   18.047 48.73250 26.49025 
1 1 1   -6   36   23 o   67.077   15.899   63.629   26.224   98.189   43.288   43.590   32.961   80.618   21.214   56.125   19.368 24.49367 28.72595 
1 1 1   -6   36   24 o   53.471   16.708   39.903   24.763   13.197   40.564   55.767   31.264   47.120   19.949   62.067   18.659 -14.94719 27.31575 
1 1 1   -6   36   25 o   57.447   18.483   46.761   30.111 -24.4647   66.382   65.212   33.786   49.221   22.791   66.691   19.229 -17.47016 29.81973 
1 1 1   -6   36   26 o   42.784   16.174   20.388   23.661   23.047   37.669   18.655   30.409   49.134   19.851   44.793   17.928 4.340897 26.74814 
1 1 1   -6   36   27 o   47.187   20.199   10.792   42.401   14.922   44.311 -34.0444  145.993   49.050   20.813   66.667   31.762 -17.61730 37.97392 
1 1 1   -6   36   28 o   87.436   23.709  119.672   53.072  135.850   56.566   0.7099  153.387   92.950   24.151   70.724   33.357 22.22604 41.18167 
1 1 1   -6   36   29 o   40.127   15.995   14.249   24.105   22.786   34.790   6.3671   33.429   47.999   19.188   41.915   17.939 6.083580 26.26754 
1 1 1   -6   36   30 o   50.011   16.979   33.591   25.308   68.210   34.913  -4.7395   36.737   68.002   19.530   40.468   18.018 27.53430 26.57227 
1 1 1   -6   36   31 o  103.483   13.118  144.230   33.138  141.010   43.308  148.779   51.470   99.180   18.155   99.573   21.341 -0.3929214 28.01895 
1 1 1   -6   36   32 o   59.207   17.143   50.190   26.801   44.866   34.241   58.612   43.064   56.755   19.732   63.345   22.122 -6.589912 29.64357 
1 1 1   -6   36   33 o   63.492   16.833   57.923   27.122   50.231   34.354   70.651   44.190   59.137   19.783   68.150   22.423 -9.012741 29.90276 
1 1 1   -6   36   34 o   49.043   16.907   32.184   25.114   25.046   30.922   46.017   43.047   47.294   18.334   58.266   21.861 -10.97187 28.53145 
1 1 1   -6   36   35 o   55.368   17.121   43.738   26.077   46.345   31.648   38.226   46.020   56.908   18.988   55.995   22.169 0.9128265 29.18957 
1 1 1   -6   36   36 o   72.003   21.099   79.840   40.383   57.888   64.620   93.907   51.727   64.489   26.019   76.131   24.197 -11.64194 35.53167 
1 1 1   -6   36   37 o   36.852   16.909 -15.1024   35.372 -53.1263   58.044   7.3611   44.613   41.183   19.731   46.426   20.293 -5.243252 28.30379 
1 1 1   -6   36   38 o  115.139   25.457  219.563   71.250   0.0000   0.0000  219.563   71.250  ?   ?   115.139   25.457 0.000000 25.45683 
1 1 1   -6   37    3 o   49.399   22.283   39.996   58.232  -2.2698   74.728  105.341   92.916   45.301   21.878   58.658   27.092 -13.35628 34.82232 
1 1 1   -6   37    4 o   51.085   23.033   42.040   62.133   71.892   75.990 -18.1747  107.923   56.476   25.467   48.854   24.146 7.621994 35.09403 
1 1 1   -6   37    5 o   62.469   25.399   88.307   62.100   99.025   76.887   68.197  105.321   62.805   27.049   57.237   27.186 5.568638 38.35022 
1 1 1   -6   37    6 o   51.958   22.918   38.856   58.080   43.672   70.778   28.929  101.626   53.970   24.435   54.450   26.093 -0.4802971 35.74813 
1 1 1   -6   37    7 f   61.518   17.222   60.584   27.503   26.750   68.634   67.056   30.019   51.791   23.686   64.124   18.006 -12.33347 29.75341 
1 1 1   -6   37    8 o   43.294   16.025   25.900   22.979 -64.3332   65.927   38.379   24.517   40.100   19.629   50.055   16.713 -9.954601 25.77967 
1 1 1   -6   37    9 o   47.531   16.459   33.293   23.812   35.113   63.582   32.996   25.681   53.967   23.882   47.519   17.037 6.447495 29.33675 
1 1 1   -6   37   10 o   27.222   12.219  -4.4430   17.264 -69.2586   60.261   1.3522   18.019   38.358   18.774   29.985   13.004 8.373751 22.83766 
1 1 1   -6   37   11 o   22.430   10.553 -13.7837   15.182 -115.8913  141.569 -12.5958   15.270   53.172   26.509   22.865   10.702 30.30693 28.58807 
1 1 1   -6   37   12 o   27.202   12.186  -4.4497   17.083 -10.5658   54.410  -3.7809   17.993   44.593   20.644   28.168   12.571 16.42579 24.16982 
1 1 1   -6   37   13 o   27.410   12.341  -5.5809   17.765 -16.0553   53.879  -4.3032   18.818   43.737   20.348   28.681   12.824 15.05628 24.05201 
1 1 1   -6   37   14 o   62.688   16.869   58.949   26.989   77.677   56.174   53.329   30.773   67.062   25.010   58.969   18.655 8.093380 31.20068 
1 1 1   -6   37   15 o   25.448   11.754 -11.1774   17.490 -15.5616   56.072 -10.7048   18.408   45.015   20.880   26.370   12.136 18.64524 24.15085 
1 1 1   -6   37   16 o   43.284   20.061 -17.2486   51.605 -18.9548   57.296  -9.9174  118.770   45.083   20.978   60.042   28.618 -14.95963 35.48285 
1 1 1   -6   37   17 o   34.603   14.256   8.2045   19.891   14.892   51.164   7.0137   21.589   49.774   21.744   35.100   14.689 14.67475 26.24112 
1 1 1   -6   37   18 o   33.893   14.051   7.0412   19.489  -1.4291   50.483   8.5247   21.127   46.156   20.791   35.521   14.670 10.63436 25.44509 
1 1 1   -6   37   19 o   33.457   13.936   6.2247   19.302  -6.5840   49.296   8.5441   20.977   44.795   20.326   35.491   14.633 9.303764 25.04561 
1 1 1   -6   37   20 o   33.723   14.164   5.4357   20.189   27.633   48.120   0.6938   22.241   52.618   21.968   33.224   14.428 19.39315 26.28203 
1 1 1   -6   37   21 o   45.292   15.960   26.925   22.444   75.357   46.876   12.520   25.565   68.781   23.109   39.678   16.233 29.10321 28.24027 
1 1 1   -6   37   22 o   53.085   17.817   39.889   27.865   48.868   81.393   38.697   29.658   64.182   27.736   52.684   18.361 11.49887 33.26276 
1 1 1   -6   37   23 o   58.386   17.993   49.838   28.830  156.211   80.322   34.107   30.888   91.307   30.240   50.814   18.618 40.49247 35.51185 
1 1 1   -6   37   24 o   42.502   15.912   21.226   22.782   4.9925   42.037   27.977   27.109   44.878   19.655   47.146   17.415 -2.267761 26.26011 
1 1 1   -6   37   25 o   32.033   13.890   0.2850   20.550   34.680   39.507 -12.4727   24.061   53.069   20.682   30.492   13.974 22.57687 24.96007 
1 1 1   -6   37   26 o   41.550   15.839   19.213   22.809   25.815   40.009   16.033   27.763   50.203   20.397   42.246   17.051 7.956882 26.58512 
1 1 1   -6   37   27 o   47.396   16.683   29.643   24.516   14.480   39.837   38.886   31.104   46.665   19.764   53.158   18.783 -6.492886 27.26557 
1 1 1   -6   37   28 o   57.771   16.974   48.202   26.105   69.176   40.198   32.906   34.328   67.186   21.328   51.216   19.453 15.96992 28.86699 
1 1 1   -6   37   29 o   80.950   24.029  106.334   52.092   91.531   54.526  261.112  176.314   74.802   24.922   96.564   41.260 -21.76166 48.20230 
1 1 1   -6   37   30 f   39.460   18.004 -13.0020   39.362 -10.4073   40.428 -60.2961  172.597   40.548   18.402   66.007   32.190 -25.45899 37.07912 
1 1 1   -6   37   31 o   79.018   15.649   88.566   29.787  112.432   41.346   62.813   42.949   86.562   19.585   64.208   22.111 22.35458 29.53790 
1 1 1   -6   37   32 o   71.053   16.669   73.186   29.066   91.064   39.303   51.605   43.182   77.209   20.165   59.729   21.994 17.47977 29.83901 
1 1 1   -6   37   33 o   38.963   15.854   12.366   24.221   7.1269   31.955   19.441   37.133   40.882   17.519   46.951   19.424 -6.068691 26.15727 
1 1 1   -6   37   34 o   39.001   15.943   12.091   24.634   26.603   31.295 -11.5458   39.940   47.524   18.439   39.830   18.159 7.694199 25.87901 
1 1 1   -6   37   35 o   32.692   14.506  -3.4051   23.605  -2.7102   29.073  -4.7492   40.435   36.265   16.094   41.476   18.652 -5.210587 24.63568 
1 1 1   -6   37   36 o   30.089   13.676  -9.0659   22.438 -13.9343   27.007   1.7839   40.317   31.908   14.690   42.857   18.989 -10.94935 24.00816 
1 1 1   -6   38    4 o   53.311   23.882   75.341   65.603   95.850   80.232   33.968  113.953   55.027   25.329   48.517   24.123 6.509895 34.97792 
1 1 1   -6   38    5 o   34.650   17.290 -78.1419   60.782 -59.1799   73.410 -119.4840  108.394   39.115   19.434   41.324   20.932 -2.208946 28.56253 
1 1 1   -6   38    6 o   53.789   23.827   62.614   63.433   99.144   76.814 -15.7122  112.479   59.467   26.287   48.126   23.934 11.34084 35.55054 
1 1 1   -6   38    7 o   49.810   22.770   35.161   63.341   66.137   76.694 -31.3003  112.340   55.332   25.202   48.262   23.989 7.069710 34.79351 
1 1 1   -6   38    8 o   36.791   18.043 -55.0226   56.505 -38.7064   65.030 -105.3026  114.158   40.912   19.910   45.263   22.744 -4.351501 30.22737 
1 1 1   -6   38    9 o   46.534   16.130   33.278   22.874  127.864   65.575   20.175   24.407   73.651   27.106   40.291   16.084 33.36004 31.51854 
1 1 1   -6   38   10 o   43.989   16.388   27.697   24.107  -7.5169   65.372   33.240   25.935   45.774   21.646   46.915   17.080 -1.140938 27.57320 
1 1 1   -6   38   11 o   36.261   14.709   13.095   20.770 -20.6319   62.982   17.210   22.000   43.925   20.909   38.644   15.319 5.281586 25.92063 
1 1 1   -6   38   12 o   47.496   16.526   33.563   24.021   43.907   66.574   32.015   25.756   55.523   24.511   46.834   17.025 8.689133 29.84372 
1 1 1   -6   38   13 f   45.439   16.779   28.911   25.161   0.6689  150.313   29.725   25.521   59.107   29.075   45.894   16.907 13.21287 33.63329 
1 1 1   -6   38   14 o   23.897   11.157 -12.4984   16.428   12.507   62.413 -14.3598   17.028   50.036   22.768   23.894   11.221 26.14195 25.38309 
1 1 1   -6   38   15 o   49.583   16.565   36.331   24.086  107.170   57.976   21.554   26.479   74.880   25.696   42.737   16.849 32.14323 30.72711 
1 1 1   -6   38   16 o   32.899   14.011   4.6491   20.214   50.706   54.673  -2.6435   21.755   57.878   23.716   31.235   13.889 26.64252 27.48361 
1 1 1   -6   38   17 o   25.046   11.614 -11.6791   17.327 -39.4278   54.285  -8.5312   18.284   40.215   19.217   26.816   12.249 13.39910 22.78898 
1 1 1   -6   38   18 o   54.784   23.441   34.789   57.055   26.405   62.980   73.162  134.736   54.078   23.859   67.715   31.724 -13.63707 39.69468 
1 1 1   -6   38   19 o   28.966   12.849  -2.9632   18.513 -62.0661   51.412   5.8422   19.844   36.412   17.716   33.345   14.026 3.067547 22.59599 
1 1 1   -6   38   20 o   39.266   15.370   16.488   21.893   15.344   51.461   16.741   24.191   49.405   21.689   40.341   16.041 9.064117 26.97680 
1 1 1   -6   38   21 o   42.101   15.779   21.723   22.414   64.096   51.097   11.627   24.942   63.111   23.790   38.602   15.940 24.50883 28.63675 
1 1 1   -6   38   22 o   42.890   16.176   22.416   23.632   6.2747   50.322   26.982   26.767   47.311   21.075   45.972   17.240 1.338032 27.22829 
1 1 1   -6   38   23 o   51.006   16.861   37.345   24.974   18.811   47.074   44.605   29.463   49.333   21.205   54.975   18.320 -5.642147 28.02277 
1 1 1   -6   38   24 o   49.238   17.482   33.460   26.977   62.929   84.284   30.096   28.475   65.511   28.267   47.927   17.819 17.58406 33.41523 
1 1 1   -6   38   25 f   34.879   14.954   3.8348   23.303   73.478   82.068  -2.2727   24.303   67.580   28.480   33.409   14.776 34.17122 32.08537 
1 1 1   -6   38   26 o   58.700   16.644   50.720   25.519   71.667   44.735   40.615   31.071   66.683   22.574   53.269   18.778 13.41463 29.36329 
1 1 1   -6   38   27 o   83.180   15.171   98.454   30.351  108.549   47.997   91.728   39.179   81.454   22.732   76.720   20.180 4.734451 30.39675 
1 1 1   -6   38   28 o   57.281   17.135   48.429   26.414   49.280   43.054   47.916   33.448   58.058   21.847   56.820   19.516 1.238022 29.29457 
1 1 1   -6   38   29 o  104.959   13.856  152.753   35.428  163.550   51.432  143.005   48.872  102.733   20.762   95.609   21.040 7.123764 29.55951 
1 1 1   -6   38   30 o   38.063   15.716   10.797   24.239  -2.6855   37.883   20.143   31.541   40.593   18.169   44.765   18.137 -4.171215 25.67242 
1 1 1   -6   38   31 o   57.471   21.115   48.932   39.766   40.996   40.601  235.956  197.096   54.584   21.051   84.969   39.319 -30.38532 44.59955 
1 1 1   -6   38   32 o   64.126   22.997   66.232   46.791   67.428   47.966   42.721  212.651   64.533   23.268   71.033   34.869 -6.500450 41.91966 
1 1 1   -6   38   33 o   31.049   14.053  -7.6636   23.387 -28.2507   32.954   13.226   33.195   32.344   15.317   42.822   18.083 -10.47744 23.69882 
1 1 1   -6   38   34 o   32.767   14.518  -2.3338   23.567   6.8133   32.190 -12.9002   34.597   40.299   17.429   36.354   16.696 3.944347 24.13540 
1 1 1   -6   39    7 o   42.012   20.364  -2.9669   66.256   24.824   79.129 -68.1535  121.189   46.213   22.365   43.649   22.112 2.563389 31.45053 
1 1 1   -6   39    8 o   48.018   22.497   36.563   67.768   2.1033   79.272  130.115  130.614   45.036   21.931   55.747   27.358 -10.71079 35.06279 
1 1 1   -6   39    9 o   45.232   21.388   12.879   63.794   14.805   74.227   7.4338  124.787   46.732   22.369   49.756   24.820 -3.023651 33.41257 
1 1 1   -6   39   10 o   34.846   17.333 -78.1115   59.087 -62.4306   67.009 -132.9143  125.271   38.358   18.971   44.183   22.393 -5.824749 29.34887 
1 1 1   -6   39   11 o   38.949   15.504   19.315   22.621   54.860   67.318   14.790   24.017   53.825   24.147   37.472   15.572 16.35302 28.73219 
1 1 1   -6   39   12 o   51.621   17.145   43.580   25.812  111.076   70.585   33.161   27.733   66.451   27.055   46.370   17.515 20.08104 32.22983 
1 1 1   -6   39   13 o   55.715   17.692   51.238   27.657   34.018   73.821   54.050   29.830   52.381   24.177   56.660   18.412 -4.278336 30.38995 
1 1 1   -6   39   14 o   30.713   13.514   0.7771   20.079  -3.9250   69.234   1.2090   20.981   46.976   22.234   31.426   13.821 15.55068 26.17949 
1 1 1   -6   39   15 o   34.930   14.735   8.7130   22.003   42.746  158.799   8.0469   22.217   59.556   29.407   34.772   14.745 24.78313 32.89683 
1 1 1   -6   39   16 o   33.435   14.075   7.3425   20.007 -21.8316   57.816   11.311   21.325   42.489   20.170   35.793   14.756 6.695713 24.99103 
1 1 1   -6   39   17 o   33.008   13.928   6.5648   19.667   2.8531   58.626   7.0354   20.876   46.777   21.575   33.884   14.327 12.89296 25.89837 
1 1 1   -6   39   18 o   56.745   17.155   50.257   26.371   45.728   60.243   51.331   29.331   55.803   23.988   56.797   18.238 -0.9940262 30.13382 
1 1 1   -6   39   19 o   56.009   17.780   49.093   27.935   20.395   60.345   56.919   31.515   50.879   22.841   59.483   18.885 -8.604050 29.63675 
1 1 1   -6   39   20 o   49.218   22.090   14.974   56.407   3.0481   61.122   83.463  146.470   48.203   22.158   65.988   31.542 -17.78468 38.54713 
1 1 1   -6   39   21 o   35.476   14.714   9.4998   21.389 -13.4035   53.648   13.828   23.322   43.475   20.253   38.238   15.558 5.237648 25.53871 
1 1 1   -6   39   22 o   40.580   15.751   19.310   22.843  -7.6545   52.718   25.543   25.346   44.278   20.435   44.266   16.739 0.1168060E-01 26.41539 
1 1 1   -6   39   23 o   45.508   16.226   28.753   23.264   61.147   50.310   19.943   26.237   60.706   23.427   42.094   16.716 18.61147 28.77949 
1 1 1   -6   39   24 o   38.632   15.409   15.304   22.385 -17.9387   48.243   24.426   25.271   41.064   19.155   43.844   16.681 -2.780117 25.40013 
1 1 1   -6   39   25 o   37.922   15.370   13.369   22.657  -9.4067   45.649   20.814   26.099   41.672   19.153   42.508   16.738 -0.8366508 25.43607 
1 1 1   -6   39   26 o   40.678   16.031   18.313   23.961   31.907   48.379   13.894   27.581   52.098   21.907   40.317   16.715 11.78045 27.55502 
1 1 1   -6   39   27 o  108.117   17.312  174.350   45.163  234.248  102.918  160.064   50.261   97.943   34.200   99.959   20.812 -2.016251 40.03440 
1 1 1   -6   39   28 o   35.019   14.874   6.1966   22.667   42.932   43.825  -7.2185   26.484   54.659   21.636   32.942   14.928 21.71787 26.28629 
1 1 1   -6   39   29 o  104.566   14.242  155.018   36.222  119.929   53.911  183.894   48.906   81.903   24.476  109.840   18.487 -27.93702 30.67259 
1 1 1   -6   39   30 o   74.375   16.697   83.045   30.252   77.090   47.007   87.255   39.524   66.831   23.126   72.964   20.722 -6.133507 31.05179 
1 1 1   -6   39   31 o   39.002   15.900   14.138   24.419   20.000   40.448   10.776   30.632   46.715   19.856   40.446   17.237 6.269379 26.29432 
1 1 1   -6   39   32 o   47.271   17.128   31.359   26.036   20.526   39.843   39.431   34.396   46.604   19.753   51.979   19.533 -5.374813 27.78036 
1 1 1   -6   40   12 o   50.924   25.618   38.930  146.939   0.0000   0.0000   38.930  146.939  ?   ?    50.924   25.618 0.000000 25.61799 
1 1 1   -6   40   13 o   29.262   13.123  -0.9859   19.866   34.530   68.180  -4.2812   20.768   48.785   22.761   28.773   13.109 20.01190 26.26635 
1 1 1   -6   40   14 o   34.476   14.591   10.221   21.689   40.165   67.919   6.8210   22.887   50.363   23.226   33.740   14.644 16.62291 27.45730 
1 1 1   -6   40   15 o   51.803   17.216   44.932   26.025   55.935   67.622   43.019   28.197   53.717   24.142   50.475   17.878 3.241344 30.04129 
1 1 1   -6   40   16 o   37.080   14.981   15.758   21.453  124.254   68.607   4.0000   22.586   69.693   27.228   32.929   14.415 36.76416 30.80832 
1 1 1   -6   40   17 o   31.768   13.795   3.8533   20.333  243.422  172.106   0.4622   20.476   67.703   32.818   30.629   13.554 37.07374 35.50631 
1 1 1   -6   40   18 o   35.400   14.632   11.691   21.045   58.057   63.061   5.8795   22.325   55.940   24.294   33.712   14.547 22.22838 28.31599 
1 1 1   -6   40   19 o   31.371   13.676   2.5879   20.146 -36.4797   59.949   7.5615   21.390   40.503   19.569   33.970   14.439 6.532818 24.31931 
1 1 1   -6   40   20 o   47.608   16.930   34.649   25.310   22.364   60.215   37.285   27.894   49.447   22.448   48.974   17.731 0.4734268 28.60558 
1 1 1   -6   40   21 o   37.683   15.302   14.855   22.503   30.626   57.386   11.990   24.462   50.873   22.593   37.314   15.628 13.55914 27.47102 
1 1 1   -6   40   22 o   69.912   26.616  106.436   64.360  117.944   69.488   36.982  170.708   71.933   27.592   59.965   29.765 11.96767 40.58673 
1 1 1   -6   40   23 o   58.489   17.433   54.624   27.376  111.884   58.840   38.804   30.927   73.520   25.849   50.210   18.590 23.30918 31.83934 
1 1 1   -6   40   24 o   29.508   13.152  -2.3903   19.627 -54.1427   49.894   7.0836   21.348   35.616   17.356   34.087   14.454 1.529278 22.58631 
1 1 1   -6   40   25 o   60.237   17.481   57.692   27.841   47.424   54.070   61.396   32.477   55.108   23.165   60.936   19.150 -5.828754 30.05568 
1 1 1   -6   40   26 o   40.369   15.846   19.567   23.324   19.499   48.898   19.587   26.537   47.614   21.014   41.415   16.687 6.198696 26.83324 
1 1 1   -6   40   27 o   68.811   16.959   73.774   28.954  113.082   52.483   56.577   34.715   77.000   24.363   58.326   19.885 18.67352 31.44757 
1 1 1   -6   40   28 o   50.991   17.302   40.025   26.279   64.249   49.537   30.538   31.001   60.047   23.226   46.992   18.319 13.05475 29.58060 
1 1 1   -5  -39    1 o   39.595   17.561   20.945   34.558  -3.6026  115.641   23.352   36.213   44.120   22.262   40.458   17.958 3.662674 28.60223 
1 1 1   -5  -39    2 o   44.290   22.398   36.979  121.041   36.979  121.041   0.0000   0.0000   44.290   22.398  ?   ?  0.000000 22.39820 
1 1 1   -5  -38    1 o   60.990   21.019   75.496   38.812  124.589  113.690   69.020   41.293   57.594   27.599   57.532   21.445 0.6202698E-01 34.95139 
1 1 1   -5  -38    2 o   48.815   19.319   45.490   34.934  202.014  118.897   30.702   36.547   61.549   29.133   43.918   18.776 17.63100 34.65867 
1 1 1   -5  -38    3 o   18.181   9.2125 -64.0979   21.114 -50.1965  114.722 -64.5853   21.481   42.790   21.659   18.379   9.3105 24.41054 23.57508 
1 1 1   -5  -37    1 o   64.958   18.611   71.955   31.739   97.911   57.359   60.500   38.104   66.474   25.170   57.606   20.743 8.868397 32.61563 
1 1 1   -5  -37    2 o  158.056   17.753  408.288   68.859  588.779  144.284  355.054   78.359  123.745   40.508  135.270   24.080 -11.52505 47.12457 
1 1 1   -5  -37    3 o   55.504   20.082   58.844   35.773   91.433  119.082   55.611   37.505   55.646   27.048   53.848   20.362 1.798222 33.85524 
1 1 1   -5  -37    4 o   47.109   18.874   39.483   33.742 -11.5174  122.390   43.678   35.103   47.329   23.750   48.588   19.322 -1.258545 30.61752 
1 1 1   -5  -37    5 o   48.656   24.431   49.761  130.481   49.761  130.481   0.0000   0.0000   48.656   24.431  ?   ?  0.000000 24.43095 
1 1 1   -5  -36    1 o  120.100   13.492  205.799   39.765  339.915   63.341  118.556   51.087  148.867   17.365   79.633   23.832 69.23413 29.48774 
1 1 1   -5  -36    2 o   74.664   17.914   89.771   32.974  117.188   56.975   75.963   40.433   75.269   25.476   64.897   21.453 10.37186 33.30556 
1 1 1   -5  -36    3 o   42.827   16.904   24.657   26.682   63.639   53.297   11.620   30.822   57.604   23.488   39.339   17.034 18.26543 29.01424 
1 1 1   -5  -36    4 o   46.798   18.502   33.782   32.012 -32.5227  118.127   39.037   33.256   49.550   24.624   48.921   19.000 0.6293869 31.10191 
1 1 1   -5  -36    5 o   57.202   19.951   61.382   35.020  180.493  125.301   51.290   36.473   64.027   30.183   52.712   20.044 11.31452 36.23242 
1 1 1   -5  -36    6 o   51.578   19.482   50.348   34.311  113.254  130.811   45.700   35.556   55.266   27.173   49.633   19.538 5.632668 33.46857 
1 1 1   -5  -35    1 o   53.664   22.438   35.676   50.311   35.676   50.311   0.0000   0.0000   53.664   22.438  ?   ?  0.000000 22.43842 
1 1 1   -5  -35    2 o   77.990   16.724   91.885   31.593  101.558   56.564   87.500   38.087   73.202   25.366   73.040   20.202 0.1626434 32.42749 
1 1 1   -5  -35    3 o   58.314   17.629   53.703   27.850   47.940   52.557   55.953   32.840   55.605   23.065   58.540   19.333 -2.935268 30.09583 
1 1 1   -5  -35    4 o  108.469   14.595  172.456   38.528  222.964   62.926  142.166   48.730  111.784   23.298   90.140   21.871 21.64407 31.95536 
1 1 1   -5  -35    5 o   79.762   20.136  109.414   40.113   80.430  120.651  113.016   42.532   60.327   28.778   79.994   21.018 -19.66678 35.63633 
1 1 1   -5  -35    6 o   98.303   19.919  165.681   47.223  143.960  130.168  168.973   50.675   63.647   30.228   97.023   21.483 -33.37585 37.08442 
1 1 1   -5  -35    7 o   82.020   20.144  120.982   40.958  192.305  132.474  113.444   43.068   64.966   30.750   77.087   21.540 -12.12146 37.54390 
1 1 1   -5  -35    8 o   54.287   26.905   91.881  137.409   91.881  137.409   0.0000   0.0000   54.287   26.905  ?   ?  0.000000 26.90518 
1 1 1   -5  -34    1 o  118.515   13.283  191.225   38.634  221.367   59.658  169.454   50.702  121.320   20.417  106.405   19.811 14.91446 28.44834 
1 1 1   -5  -34    2 o  184.674   12.536  461.461   57.471  521.959   79.873  396.514   82.757  190.545   16.964  160.365   21.184 30.18008 27.13900 
1 1 1   -5  -34    3 o   72.936   26.477   97.974   62.261   97.974   62.261   0.0000   0.0000   72.936   26.477  ?   ?  0.000000 26.47708 
1 1 1   -5  -34    4 o   32.660   14.093   2.8647   20.953   8.2531   47.880   1.5883   23.303   45.981   20.514   33.641   14.686 12.34064 25.22951 
1 1 1   -5  -34    5 o   52.798   17.264   42.803   26.211   49.694   52.512   40.516   30.249   56.419   23.195   51.597   18.492 4.821857 29.66353 
1 1 1   -5  -34    6 o  112.328   14.067  182.395   38.594  253.850   64.289  142.134   48.257  122.073   21.894   90.817   21.595 31.25635 30.75191 
1 1 1   -5  -34    7 o   46.751   17.750   32.301   28.574 -97.4131  121.932   39.838   29.393   48.303   24.162   50.211   18.198 -1.908318 30.24785 
1 1 1   -5  -34    8 f   67.407   19.596   79.618   34.958  240.951  130.951   67.238   36.275   74.801   33.609   61.006   20.328 13.79511 39.27808 
1 1 1   -5  -34    9 o   82.014   20.314  121.134   41.388  218.443  138.864  111.647   43.359   66.982   31.637   76.347   21.712 -9.364975 38.37019 
1 1 1   -5  -33    1 o  184.548   11.866  447.473   54.395  547.645   76.714  346.185   77.140  200.905   15.408  154.957   20.434 45.94814 25.59197 
1 1 1   -5  -33    2 o   42.747   15.619   21.889   21.715   28.900   45.687   19.842   24.682   53.395   21.756   42.860   16.443 10.53549 27.27093 
1 1 1   -5  -33    3 o   47.691   16.386   30.555   23.581   17.763   47.797   34.671   27.110   50.344   21.496   50.483   17.557 -0.1388817 27.75467 
1 1 1   -5  -33    4 o  146.182   25.015  349.871   88.033  349.871   88.033   0.0000   0.0000  146.182   25.015  ?   ?  0.000000 25.01513 
1 1 1   -5  -33    5 o  121.959   13.391  205.538   40.112  244.339   62.853  178.876   52.102  125.261   20.825  107.574   20.135 17.68725 28.96743 
1 1 1   -5  -33    6 o   33.803   14.330   5.6128   20.976   29.727   50.127   0.4936   23.096   51.876   22.078   33.206   14.555 18.66969 26.44434 
1 1 1   -5  -33    7 o   41.111   15.981   20.307   23.543   0.1561   53.068   25.245   26.270   45.449   20.801   44.146   16.957 1.303066 26.83734 
1 1 1   -5  -33    8 o   41.397   16.587   19.924   26.061 -18.3983  119.619   21.833   26.702   54.404   26.590   42.388   16.854 12.01593 31.48120 
1 1 1   -5  -33    9 o   77.103   19.614  100.148   37.854  129.599  131.084   97.469   39.538   65.681   30.935   74.941   20.524 -9.259628 37.12433 
1 1 1   -5  -33   10 o   32.430   14.484  -0.3693   23.939 -44.6438  131.669   1.1443   24.345   51.034   25.463   33.119   14.711 17.91452 29.40721 
1 1 1   -5  -32    1 o  188.204   11.700  459.689   54.717  538.228   75.793  374.206   79.073  201.147   15.201  164.175   19.680 36.97192 24.86702 
1 1 1   -5  -32    2 o  170.315   15.091  388.655   63.519  501.703  127.899  351.643   73.182  177.890   29.849  159.055   18.788 18.83543 35.26934 
1 1 1   -5  -32    3 f  100.752   13.498  136.203   33.107  174.152   54.414  113.898   41.717  109.525   20.653   88.875   19.346 20.64933 28.29827 
1 1 1   -5  -32    4 o   64.952   16.393   59.952   26.590   46.882   48.722   65.496   31.732   60.040   23.086   67.147   18.385 -7.106815 29.51274 
1 1 1   -5  -32    5 o  143.579   12.900  276.952   45.759  287.348   66.996  267.861   62.648  140.098   19.694  135.908   18.977 4.190536 27.34889 
1 1 1   -5  -32    6 o   58.310   17.557   49.971   27.663   59.933   57.113   46.918   31.619   63.411   24.824   56.642   18.979 6.769939 31.24790 
1 1 1   -5  -32    7 f   42.035   15.862   21.299   22.729   27.531   50.578   19.722   25.443   52.380   22.232   42.255   16.561 10.12561 27.72221 
1 1 1   -5  -32    8 o   62.776   17.374   60.160   28.160   44.534   55.211   65.655   32.739   56.714   23.592   64.570   19.019 -7.856396 30.30358 
1 1 1   -5  -32    9 o   77.115   19.396   95.674   37.314   2.2083  124.043  104.973   39.127   58.140   28.104   80.714   19.606 -22.57425 34.26730 
1 1 1   -5  -32   10 o  133.936   16.581  270.440   54.273  552.367  148.199  226.775   58.324  135.582   40.595  117.363   20.655 18.21918 45.54747 
1 1 1   -5  -32   11 o   90.047   20.162  136.534   44.209  130.464  142.929  137.176   46.488   65.366   31.221   88.876   21.236 -23.50983 37.75896 
1 1 1   -5  -32   12 o   51.540   18.809   44.124   31.479  239.008  144.464   34.409   32.255   72.090   33.466   47.494   18.637 24.59636 38.30542 
1 1 1   -5  -31    1 o  148.064   11.999  283.379   43.985  316.321   63.484  252.967   60.998  154.087   16.770  136.808   18.314 17.27869 24.83210 
1 1 1   -5  -31    2 o   88.081   15.036  104.139   31.884   59.056   51.529  132.109   40.587   67.215   24.130   98.537   17.115 -31.32198 29.58371 
1 1 1   -5  -31    3 o   50.749   17.471   32.645   26.814 -158.3855  100.735   47.212   27.817   48.696   23.923   58.680   17.592 -9.983410 29.69500 
1 1 1   -5  -31    4 o  139.845   12.693  256.972   43.842  266.349   65.345  249.295   59.125  137.971   19.510  134.427   18.071 3.544235 26.59292 
1 1 1   -5  -31    5 o   70.892   16.405   70.411   28.467   40.565   50.929   83.974   34.331   59.328   23.375   76.745   18.191 -17.41702 29.61922 
1 1 1   -5  -31    6 o  185.847   12.552  457.296   57.912  503.225   81.757  411.043   82.044  190.150   17.411  169.290   19.780 20.85976 26.35157 
1 1 1   -5  -31    7 o   60.670   24.418   46.364   56.760   46.364   56.760   0.0000   0.0000   60.670   24.418  ?   ?  0.000000 24.41830 
1 1 1   -5  -31    8 o   42.099   15.947   20.496   23.030   19.531   51.282   20.740   25.776   51.446   22.124   43.232   16.745 8.214489 27.74623 
1 1 1   -5  -31    9 o   90.009   16.104  117.115   34.867   99.925   62.476  124.891   42.020   74.453   26.587   90.507   19.187 -16.05426 32.78717 
1 1 1   -5  -31   10 o   96.042   15.664  133.852   36.274  185.834   66.820  112.134   43.192  101.184   26.228   83.229   20.831 17.95461 33.49392 
1 1 1   -5  -31   11 f   26.091   12.197 -14.6095   19.737   14.308  146.429 -15.1446   19.919   60.934   29.702   26.094   12.216 34.83990 32.11605 
1 1 1   -5  -31   12 o   44.111   17.244   25.267   27.532  230.186  151.478   18.266   27.998   77.171   35.253   41.422   16.972 35.74949 39.12580 
1 1 1   -5  -31   13 o   41.328   16.683   20.252   26.580 -24.9736  152.108   21.676   26.995   55.341   27.573   42.025   16.866 13.31591 32.32227 
1 1 1   -5  -30    1 o  181.284   12.266  422.323   55.201  426.336   75.301  417.662   81.161  179.864   16.965  177.069   18.635 2.795517 25.20065 
1 1 1   -5  -30    2 o  137.628   11.547  243.689   39.318  311.212   58.426  187.801   53.154  153.987   15.400  117.856   18.684 36.13087 24.21297 
1 1 1   -5  -30    3 o   40.850   15.123   17.639   20.466  -1.9674   44.353   22.943   23.069   46.486   20.278   44.836   16.140 1.650234 25.91755 
1 1 1   -5  -30    4 o  138.399   12.607  249.117   43.094  268.403   65.193  234.150   57.431  140.252   19.112  131.520   17.956 8.732208 26.22328 
1 1 1   -5  -30    5 o   82.148   17.381   93.225   34.542   76.889  116.399   94.803   36.172   81.385   34.088   82.583   18.044 -1.198761 38.56925 
1 1 1   -5  -30    6 o   63.257   16.101   55.439   25.500   76.007   50.230   48.298   29.597   72.444   23.910   59.147   18.232 13.29705 30.06782 
1 1 1   -5  -30    7 o  187.973   12.877  465.653   60.079  485.085   84.165  445.465   85.786  187.071   18.249  177.855   19.643 9.215988 26.81193 
1 1 1   -5  -30    8 o   63.513   17.075   57.500   27.667   44.271   53.237   62.395   32.384   60.335   23.858   65.611   18.800 -5.276031 30.37482 
1 1 1   -5  -30    9 o   70.071   19.067   72.820   34.253   0.0000   0.0000   72.820   34.253  ?   ?    70.071   19.067 0.000000 19.06682 
1 1 1   -5  -30   10 o  158.548   21.057  381.114   81.307  381.114   81.307   0.0000   0.0000  158.548   21.057  ?   ?  0.000000 21.05677 
1 1 1   -5  -30   11 o  165.429   12.365  370.979   50.709  526.958   78.936  261.377   66.169  191.347   16.687  129.468   21.200 61.87889 26.97974 
1 1 1   -5  -30   12 o   70.661   18.903   78.358   34.006   92.290  139.045   77.472   35.071   69.224   32.367   69.870   19.407 -0.6453400 37.73916 
1 1 1   -5  -30   13 o  112.430   18.003  193.613   48.840  251.350  152.052  186.971   51.573   82.935   36.806  108.461   19.770 -25.52544 41.77951 
1 1 1   -5  -30   14 o   74.848   19.557   92.551   36.958   64.009  150.618   94.380   38.124   62.420   30.359   75.184   19.969 -12.76365 36.33745 
1 1 1   -5  -30   15 o   56.150   27.909  -4.3332  152.015  -4.3332  152.015   0.0000   0.0000   56.150   27.909  ?   ?  0.000000 27.90863 
1 1 1   -5  -29    1 o  179.379   12.071  411.853   53.756  406.246   72.459  418.716   80.169  176.223   16.663  178.120   18.283 -1.896835 24.73742 
1 1 1   -5  -29    2 o  298.920   25.091  1227.39  185.565  1227.39  185.565   0.0000   0.0000  298.920   25.091  ?   ?  0.000000 25.09148 
1 1 1   -5  -29    3 o   85.903   13.959   97.204   28.917  112.934   49.893   89.248   35.484   89.912   22.324   81.018   18.006 8.893906 28.68086 
1 1 1   -5  -29    4 o   94.654   14.221  118.036   32.575   83.157   53.040  139.161   41.278   77.395   24.492  101.971   16.795 -24.57533 29.69724 
1 1 1   -5  -29    5 o  198.693   12.375  508.951   61.094  535.036   83.561  478.992   89.551  201.135   16.790  188.580   19.288 12.55428 25.57189 
1 1 1   -5  -29    6 o  104.078   15.700  144.849   39.536  268.022  119.468  129.700   41.897  127.481   35.965   97.453   17.875 30.02744 40.16219 
1 1 1   -5  -29    7 o   87.898   14.644  103.628   31.013   98.916   54.399  105.897   37.749   82.105   24.597   87.516   17.877 -5.411362 30.40758 
1 1 1   -5  -29    8 o   88.882   18.181  110.487   38.992   0.0000   0.0000  110.487   38.992  ?   ?    88.882   18.181 0.000000 18.18058 
1 1 1   -5  -29    9 o  162.245   20.010  372.650   79.353  372.650   79.353   0.0000   0.0000  162.245   20.010  ?   ?  0.000000 20.00991 
1 1 1   -5  -29   10 o  139.447   25.664  303.316   86.076  303.316   86.076   0.0000   0.0000  139.447   25.664  ?   ?  0.000000 25.66411 
1 1 1   -5  -29   11 o   82.116   15.820   95.095   31.263  110.808   59.687   89.154   36.700   81.702   25.995   77.547   19.082 4.155197 32.24635 
1 1 1   -5  -29   12 o   57.609   16.823   48.423   25.712   91.578   56.777   37.290   28.838   73.663   25.420   51.721   18.101 21.94180 31.20599 
1 1 1   -5  -29   13 o   92.241   15.079  121.179   33.533  187.512   65.383   97.505   39.062  104.286   25.353   79.005   19.830 25.28124 32.18693 
1 1 1   -5  -29   14 o   65.894   18.440   67.822   31.538  216.395  146.503   60.602   32.296   82.701   36.443   61.993   19.034 20.70763 41.11384 
1 1 1   -5  -29   15 o  133.589   17.858  272.333   58.083  309.922  166.234  267.106   61.990   86.626   38.462  129.818   19.744 -43.19166 43.23390 
1 1 1   -5  -29   16 o   62.809   18.872   64.866   31.989  175.091  156.655   60.070   32.677   70.486   33.385   60.221   19.242 10.26432 38.53282 
1 1 1   -5  -28    1 o  282.173   12.887  1015.14   90.809  1064.90  115.558  934.798  146.837  286.885   16.196  264.517   22.441 22.36813 27.67554 
1 1 1   -5  -28    2 o  231.790   12.792  687.338   73.758  667.951   95.554  715.918  116.016  226.410   17.025  232.515   20.181 -6.105453 26.40345 
1 1 1   -5  -28    3 o  129.627   22.024  228.868   68.741  228.868   68.741   0.0000   0.0000  129.627   22.024  ?   ?  0.000000 22.02398 
1 1 1   -5  -28    4 o  172.353   11.826  380.189   50.593  416.815   70.933  342.264   72.180  178.711   16.066  160.772   18.305 17.93872 24.35570 
1 1 1   -5  -28    5 o  190.965   11.597  466.517   55.040  533.918   76.272  393.283   79.505  202.654   15.182  171.916   18.827 30.73814 24.18576 
1 1 1   -5  -28    6 o   91.028   13.913  109.029   30.621  123.276   52.482  101.676   37.704   93.657   22.681   86.463   18.046 7.194527 28.98399 
1 1 1   -5  -28    7 f  140.468   17.494  263.606   60.034   0.0000   0.0000  263.606   60.034  ?   ?   140.468   17.494 0.000000 17.49380 
1 1 1   -5  -28    8 o  201.774   12.747  527.339   63.898  564.388   89.367  488.585   91.399  205.507   17.583  189.645   19.582 15.86150 26.31754 
1 1 1   -5  -28    9 o  209.971   12.593  572.932   65.725  636.595   91.492  505.046   94.478  217.992   16.940  191.466   20.058 26.52631 26.25423 
1 1 1   -5  -28   10 o   79.821   16.240   87.785   31.269   35.661   55.574  111.930   37.824   59.812   24.131   89.786   17.499 -29.97364 29.80761 
1 1 1   -5  -28   11 o   81.826   26.229  104.487   60.682  104.487   60.682   0.0000   0.0000   81.826   26.229  ?   ?  0.000000 26.22901 
1 1 1   -5  -28   12 o  152.468   13.331  310.844   50.246  320.714   76.660  303.410   66.529  147.667   21.414  146.196   18.648 1.471359 28.39543 
1 1 1   -5  -28   13 o  171.954   12.834  396.526   54.714  471.936   82.588  337.541   73.042  181.220   18.510  151.776   19.739 29.44395 27.05977 
1 1 1   -5  -28   14 o   26.270   11.962  -8.3168   17.263 -34.9690   56.793  -5.6037   18.120   42.819   20.227   27.911   12.524 14.90781 23.79017 
1 1 1   -5  -28   15 o   93.053   18.152  130.233   40.665  138.206  151.341  129.613   42.217   75.837   34.863   92.090   18.989 -16.25301 39.69873 
1 1 1   -5  -28   16 o  148.545   17.307  328.661   62.997  456.404  169.866  308.289   67.834  111.213   43.011  140.389   19.907 -29.17542 47.39489 
1 1 1   -5  -28   17 o   26.340   12.192 -11.3413   18.968 -107.8987  155.117  -9.8757   19.111   54.196   27.130   26.882   12.369 27.31395 29.81677 
1 1 1   -5  -27    1 o  193.893   12.242  479.278   58.971  435.423   77.162  540.864   91.439  182.984   17.084  203.583   18.177 -20.59920 24.94556 
1 1 1   -5  -27    2 o  316.135   13.873  1276.51  109.521  1300.09  137.750  1235.97  180.576  316.526   17.495  303.604   24.014 12.92230 29.71098 
1 1 1   -5  -27    3 o  106.566   12.685  146.533   33.094  128.765   49.915  160.471   44.208   97.193   21.165  110.415   16.543 -13.22198 26.86318 
1 1 1   -5  -27    4 o  124.143   12.746  198.410   38.953  163.349   56.384  230.423   53.878  109.557   21.377  132.558   16.643 -23.00170 27.09197 
1 1 1   -5  -27    5 o   66.224   15.460   58.702   25.102   76.606   47.842   51.901   29.486   75.194   23.180   62.326   17.962 12.86786 29.32474 
1 1 1   -5  -27    6 o   71.446   15.460   68.294   26.783   55.354   48.206   74.071   32.212   66.671   23.399   73.964   17.680 -7.292473 29.32751 
1 1 1   -5  -27    7 o   41.622   15.389   18.083   21.177 -26.2575   45.547   30.313   23.920   42.053   19.256   49.376   16.508 -7.322704 25.36316 
1 1 1   -5  -27    8 o  212.840   12.556  582.436   66.439  615.981   90.478  543.180   97.876  216.439   16.873  201.333   19.721 15.10527 25.95408 
1 1 1   -5  -27    9 o   94.559   17.503  121.117   39.807   28.376  128.739  130.921   41.859   78.433   34.372   98.318   17.700 -19.88515 38.66191 
1 1 1   -5  -27   10 o  204.964   12.284  542.828   62.583  610.538   87.890  473.191   89.133  214.553   16.532  186.697   19.402 27.85626 25.48962 
1 1 1   -5  -27   11 o  111.317   14.630  164.980   39.683  101.793   63.841  204.765   50.658   82.726   26.939  122.977   16.946 -40.25134 31.82523 
1 1 1   -5  -27   12 o  179.003   12.552  419.385   55.755  484.992   81.878  362.662   76.133  188.514   17.596  161.507   19.257 27.00720 26.08541 
1 1 1   -5  -27   13 o   74.815   26.991   84.821   64.554   84.821   64.554   0.0000   0.0000   74.815   26.991  ?   ?  0.000000 26.99072 
1 1 1   -5  -27   14 o  267.544   14.484  966.557   96.411  993.852  128.451  931.342  145.901  263.116   19.692  247.271   23.928 15.84422 30.98911 
1 1 1   -5  -27   15 o  126.437   14.097  218.937   43.750  234.760   73.867  210.387   54.299  120.019   25.436  120.110   18.713 -0.9064484E-01 31.57827 
1 1 1   -5  -27   16 o   69.190   18.472   72.561   32.514  135.268  152.374   69.569   33.281   77.939   35.508   67.464   18.965 10.47566 40.25522 
1 1 1   -5  -27   17 o   47.152   17.235   30.203   26.448 -93.1681  154.507   33.927   26.845   57.613   28.549   49.044   17.437 8.569645 33.45294 
1 1 1   -5  -27   18 o  114.338   18.594  201.014   51.265  136.175  170.423  207.465   53.755   71.324   34.074  115.312   19.354 -43.98798 39.18642 
1 1 1   -5  -27   19 o   37.994   15.713   12.848   24.286   60.152  167.843   11.837   24.545   63.414   31.099   37.710   15.712 25.70457 34.84225 
1 1 1   -5  -26    1 o  166.870   11.300  353.897   46.811  354.369   62.779  353.306   70.252  165.772   15.339  164.808   17.329 0.9631958 23.14303 
1 1 1   -5  -26    2 o  134.685   14.422  234.072   47.752  237.922   95.687  232.795   55.104  129.521   30.149  133.522   16.905 -4.000992 34.56494 
1 1 1   -5  -26    3 o  344.634   14.520  1518.23  124.957  1552.56  156.447  1457.75  207.673  345.815   18.180  329.095   25.468 16.71997 31.29151 
1 1 1   -5  -26    4 o   68.415   14.471   62.017   23.952   63.134   40.669   61.424   29.637   69.089   21.384   67.682   17.429 1.407059 27.58711 
1 1 1   -5  -26    5 o  300.253   13.824  1151.92  103.652  1155.06  131.479  1146.77  168.479  298.001   17.748  292.815   23.232 5.186157 29.23559 
1 1 1   -5  -26    7 o  106.499   21.113  154.568   54.165  154.568   54.165   0.0000   0.0000  106.499   21.113  ?   ?  0.000000 21.11282 
1 1 1   -5  -26    8 f  255.856   14.019  842.631   89.228  783.082  115.545  930.611  140.444  243.485   19.158  263.708   21.514 -20.22278 28.80797 
1 1 1   -5  -26    9 o  160.209   12.302  329.714   48.841  355.156   71.157  307.049   67.160  163.961   17.657  152.163   18.025 11.79791 25.23263 
1 1 1   -5  -26   10 o  151.183   15.298  299.247   56.961  423.339  139.673  274.491   62.384  166.124   34.784  143.589   17.778 22.53595 39.06413 
1 1 1   -5  -26   11 o  331.448   14.603  1426.65  120.867  1503.76  155.567  1309.21  191.982  335.850   18.622  305.123   25.428 30.72662 31.51746 
1 1 1   -5  -26   12 o  121.948   13.300  194.713   39.846  207.268   64.904  187.118   50.479  121.178   22.269  117.463   17.764 3.715324 28.48638 
1 1 1   -5  -26   13 o  206.331   12.673  554.613   64.979  636.942   92.738  475.213   91.073  217.444   17.220  185.330   19.995 32.11427 26.38807 
1 1 1   -5  -26   14 f  204.152   24.434  614.417  122.091  614.417  122.091   0.0000   0.0000  204.152   24.434  ?   ?  0.000000 24.43399 
1 1 1   -5  -26   15 o  101.443   14.573  139.862   35.857  167.104   64.997  127.945   42.991  103.244   25.388   94.458   18.886 8.785439 31.64194 
1 1 1   -5  -26   16 o  137.959   13.405  256.437   45.600  322.694   76.057  219.255   56.976  147.332   21.290  123.000   19.175 24.33173 28.65193 
1 1 1   -5  -26   17 o   42.386   15.877   21.287   22.689   39.166   61.779   18.500   24.394   58.738   24.730   41.700   16.251 17.03757 29.59173 
1 1 1   -5  -26   18 o   26.656   12.251 -10.5843   18.672  234.736  158.812 -14.0229   18.802   88.215   38.430   25.763   11.998 62.45138 40.25908 
1 1 1   -5  -26   19 o  112.352   18.401  191.283   49.838  114.230  172.436  198.306   52.060   71.592   34.222  113.799   18.989 -42.20667 39.13713 
1 1 1   -5  -26   20 o   60.799   18.854   59.010   31.598 -142.9558  173.531   65.935   32.135   55.261   27.805   64.214   18.823 -8.952728 33.57701 
1 1 1   -5  -25    1 o   65.207   14.463   56.200   22.935   16.759   36.129   82.822   29.682   48.928   19.556   79.237   15.556 -30.30944 24.98837 
1 1 1   -5  -25    2 o  352.522   14.696  1584.98  129.367  1586.94  161.151  1581.42  216.955  350.162   18.495  344.240   25.418 5.922668 31.43469 
1 1 1   -5  -25    3 o  288.803   15.844  1071.39  113.832  1191.23  173.886  981.518  150.582  299.738   23.417  272.675   22.310 27.06271 32.34345 
1 1 1   -5  -25    4 o  292.615   13.714  1090.65  100.214  1050.42  126.083  1159.67  165.140  284.739   17.822  296.111   22.501 -11.37213 28.70405 
1 1 1   -5  -25    5 o  214.231   19.319  600.956  102.242   0.0000   0.0000  600.956  102.242  ?   ?   214.231   19.319 0.000000 19.31950 
1 1 1   -5  -25    6 f   92.051   20.716  115.024   46.469  115.024   46.469   0.0000   0.0000   92.051   20.716  ?   ?  0.000000 20.71595 
1 1 1   -5  -25    7 o   94.646   21.305  122.154   49.140  122.154   49.140   0.0000   0.0000   94.646   21.305  ?   ?  0.000000 21.30513 
1 1 1   -5  -25    8 o  220.236   12.796  620.133   70.070  607.956   92.531  636.503  107.287  215.986   17.301  219.647   19.772 -3.661011 26.27287 
1 1 1   -5  -25    9 o  298.139   13.205  1135.78   98.312  1232.70  126.982  990.764  155.329  308.197   16.560  271.341   23.145 36.85611 28.45928 
1 1 1   -5  -25   10 o  211.837   12.562  574.784   66.155  597.705   90.125  548.005   97.416  213.824   17.020  203.321   19.423 10.50316 25.82457 
1 1 1   -5  -25   11 o   95.834   13.927  120.321   32.354  127.599   56.124  116.698   39.595   95.281   23.689   93.103   17.677 2.178658 29.55761 
1 1 1   -5  -25   12 o  147.968   15.197  286.757   55.357  489.074  146.780  253.208   59.771  179.411   34.006  137.779   17.788 41.63208 38.37757 
1 1 1   -5  -25   13 o  188.857   13.123  462.136   61.504  457.418   87.816  466.679   86.168  184.027   19.401  186.335   18.774 -2.308228 26.99784 
1 1 1   -5  -25   14 o   78.563   15.814   83.877   29.952  108.788   58.640   75.084   34.839   85.939   25.491   73.308   18.908 12.63110 31.73792 
1 1 1   -5  -25   15 o   62.807   24.619   44.855   56.229   44.855   56.229   0.0000   0.0000   62.807   24.619  ?   ?  0.000000 24.61869 
1 1 1   -5  -25   16 o   64.645   17.323   58.973   28.531   45.509   60.455   62.831   32.361   63.065   25.265   66.348   18.719 -3.282631 31.44328 
1 1 1   -5  -25   17 o  189.337   13.674  479.760   64.215  500.041   94.656  462.467   87.404  185.543   20.786  179.499   19.831 6.044830 28.72852 
1 1 1   -5  -25   18 o  163.701   13.511  362.323   54.739  416.993   86.564  325.894   70.661  166.883   21.254  149.432   19.393 17.45125 28.77221 
1 1 1   -5  -25   19 o  138.787   17.280  277.883   58.592  341.661  176.721  270.006   62.105  102.905   42.456  135.053   18.935 -32.14844 46.48763 
1 1 1   -5  -25   20 o  102.647   18.488  158.737   45.646   85.371  172.038  164.293   47.343   71.183   34.068  104.053   18.917 -32.86998 38.96805 
1 1 1   -5  -25   21 o   30.346   13.483  -2.7340   20.463  190.451  178.883  -5.2953   20.598   76.401   36.031   29.590   13.309 46.81098 38.41026 
1 1 1   -5  -24    1 o  193.703   11.276  475.128   54.306  472.542   70.407  478.926   85.328  192.215   14.782  192.443   17.963 -0.2280273 23.26314 
1 1 1   -5  -24    2 o  153.088   11.579  297.757   43.938  257.701   58.634  349.054   66.353  140.912   17.007  164.483   16.372 -23.57132 23.60672 
1 1 1   -5  -24    3 o  220.395   11.739  615.988   64.374  621.591   82.727  607.389  102.493  220.285   15.130  216.098   19.193 4.187271 24.43962 
1 1 1   -5  -24    4 o  133.234   16.753  230.963   54.506   0.0000   0.0000  230.963   54.506  ?   ?   133.234   16.753 0.000000 16.75293 
1 1 1   -5  -24    5 o   45.614   16.284   23.122   23.437 -86.4369   80.866   33.169   24.488   50.469   23.928   51.478   16.679 -1.008324 29.16727 
1 1 1   -5  -24    6 o  137.049   12.190  239.987   41.284  202.112   57.675  279.788   59.122  123.510   19.334  146.785   16.410 -23.27516 25.35931 
1 1 1   -5  -24    7 o  115.254   12.715  170.725   35.986  128.232   52.631  208.030   49.314   96.975   22.211  126.405   15.980 -29.42992 27.36201 
1 1 1   -5  -24    8 o  257.972   12.024  844.660   77.461  936.315  101.129  714.552  120.489  269.978   15.060  232.653   20.964 37.32466 25.81292 
1 1 1   -5  -24    9 o  177.533   20.996  419.018   91.280  419.018   91.280   0.0000   0.0000  177.533   20.996  ?   ?  0.000000 20.99620 
1 1 1   -5  -24   10 o  210.030   11.904  562.332   62.177  622.066   84.489  491.763   91.833  219.396   15.522  193.145   19.298 26.25131 24.76573 
1 1 1   -5  -24   11 o  129.221   12.259  214.464   39.084  270.626   61.671  176.764   50.527  143.346   17.598  115.258   18.156 28.08844 25.28486 
1 1 1   -5  -24   12 o  205.521   11.858  539.717   60.598  637.700   85.280  439.781   86.125  221.714   15.500  182.050   19.236 39.66414 24.70397 
1 1 1   -5  -24   13 o  117.498   16.042  182.211   45.840  203.057  134.841  179.487   48.743  113.712   39.178  116.090   17.346 -2.377205 42.84595 
1 1 1   -5  -24   14 o   85.092   14.656   96.177   30.019  153.856   58.651   75.704   34.943  104.480   23.094   74.189   18.829 30.29168 29.79720 
1 1 1   -5  -24   15 o  110.652   13.604  160.698   36.799  189.951   63.925  146.200   45.004  115.790   22.919  103.613   18.049 12.17705 29.17296 
1 1 1   -5  -24   16 f  173.026   13.228  391.336   56.721  416.570   85.254  371.296   75.976  173.740   20.016  164.859   18.791 8.880936 27.45403 
1 1 1   -5  -24   17 o  171.288   25.739  438.368  106.690  438.368  106.690   0.0000   0.0000  171.288   25.739  ?   ?  0.000000 25.73880 
1 1 1   -5  -24   18 o  239.879   13.711  765.073   81.791  833.898  114.110  692.354  117.294  243.988   18.876  218.368   21.801 25.61981 28.83712 
1 1 1   -5  -24   19 o  116.922   14.329  186.363   40.962  224.652   74.398  169.707   49.069  118.239   25.912  108.376   18.813 9.863586 32.02174 
1 1 1   -5  -24   20 o   26.568   12.166 -10.0541   18.187 -97.0555  160.998  -8.9295   18.304   61.634   30.272   27.026   12.310 34.60783 32.67959 
1 1 1   -5  -24   21 o   48.879   17.415   32.822   26.792 -116.7125  172.492   36.519   27.121   60.076   29.837   50.781   17.566 9.294716 34.62436 
1 1 1   -5  -24   22 o   52.183   17.931   40.058   28.238  226.871  184.465   35.575   28.575   81.277   37.759   50.021   17.968 31.25642 41.81637 
1 1 1   -5  -24   23 o   57.727   18.400   52.227   29.893  217.885  193.786   48.189   30.256   75.931   36.291   55.644   18.566 20.28691 40.76432 
1 1 1   -5  -23    1 o  223.488   20.347  647.580  112.312  647.580  112.312   0.0000   0.0000  223.488   20.347  ?   ?  0.000000 20.34719 
1 1 1   -5  -23    2 o  428.716   16.781  2346.04  179.649  2354.32  221.912  2330.28  306.021  426.973   20.813  416.973   29.582 9.999817 36.16957 
1 1 1   -5  -23    3 o  150.894   12.238  289.672   45.716  212.648   60.758  390.180   69.405  127.082   19.790  174.190   16.139 -47.10880 25.53644 
1 1 1   -5  -23    4 o  148.028   11.718  278.565   42.963  251.450   58.107  311.263   63.809  139.177   17.077  155.157   16.733 -15.98004 23.90907 
1 1 1   -5  -23    5 o  387.914   14.784  1916.77  143.212  2045.63  178.385  1683.11  240.204  398.903   17.908  354.270   27.364 44.63266 32.70258 
1 1 1   -5  -23    6 o  300.346   16.720  1159.99  124.909  1213.54  189.790  1119.06  165.906  301.608   25.436  291.264   22.997 10.34427 34.29081 
1 1 1   -5  -23    7 o  206.139   11.145  538.713   57.156  608.479   75.897  447.312   86.872  218.188   14.004  185.044   19.073 33.14369 23.66205 
1 1 1   -5  -23    8 o  183.200   11.583  426.560   52.717  441.804   71.416  408.310   78.144  185.158   15.591  177.070   17.919 8.087891 23.75214 
1 1 1   -5  -23    9 f   85.495   13.611   95.256   28.084   93.599   46.575   96.203   35.204   82.932   22.093   85.009   17.175 -2.076607 27.98306 
1 1 1   -5  -23   10 o  178.761   20.742  423.157   90.871  423.157   90.871   0.0000   0.0000  178.761   20.742  ?   ?  0.000000 20.74192 
1 1 1   -5  -23   11 o   77.453   14.367   79.030   26.764  108.597   48.156   65.815   32.194   89.082   21.820   69.943   18.242 19.13863 28.44137 
1 1 1   -5  -23   12 o  263.468   12.397  883.562   81.565  998.779  108.529  734.015  123.645  278.130   15.690  235.015   21.300 43.11566 26.45482 
1 1 1   -5  -23   13 o  143.788   12.330  265.236   43.843  298.149   66.863  240.409   58.070  150.271   18.188  134.960   17.654 15.31155 25.34686 
1 1 1   -5  -23   14 o  152.643   15.767  304.320   59.233  342.517  145.360  296.714   64.862  147.290   38.931  149.878   17.670 -2.587524 42.75331 
1 1 1   -5  -23   15 o  220.046   13.060  623.367   71.443  650.441   99.564  594.630  102.574  221.750   18.139  210.913   19.703 10.83717 26.78131 
1 1 1   -5  -23   16 o  115.073   13.727  173.264   38.666  204.171   67.011  157.838   47.342  120.501   23.110  107.937   18.212 12.56445 29.42386 
1 1 1   -5  -23   17 o  257.683   13.250  862.807   84.970  982.351  117.267  730.669  123.290  271.223   17.406  229.623   21.761 41.59940 27.86585 
1 1 1   -5  -23   18 o  232.185   25.476  789.930  145.283  789.930  145.283   0.0000   0.0000  232.185   25.476  ?   ?  0.000000 25.47562 
1 1 1   -5  -23   19 o  207.152   13.570  567.792   69.808  603.122  100.893  535.344   96.688  207.234   19.735  194.692   20.180 12.54150 28.22579 
1 1 1   -5  -23   20 o  106.820   14.502  155.344   37.684  218.705   73.280  132.565   43.938  117.765   25.645   95.787   19.040 21.97723 31.94014 
1 1 1   -5  -23   21 o   94.922   15.841  126.673   36.226  116.980   72.101  129.947   41.898   81.592   28.618   94.370   18.440 -12.77785 34.04420 
1 1 1   -5  -23   22 o   87.561   18.788  114.902   39.851   42.579  177.893  118.724   40.891   71.329   34.271   88.879   18.999 -17.54967 39.18562 
1 1 1   -5  -23   23 o   44.910   16.958   25.355   25.989  225.845  184.606   21.301   26.251   83.219   38.348   43.161   16.848 40.05811 41.88570 
1 1 1   -5  -23   24 o   51.355   18.104   38.803   28.882 -38.0633  195.551   40.517   29.202   62.927   31.338   52.207   18.218 10.71962 36.24870 
1 1 1   -5  -22    1 o  296.194   12.474  1105.89   92.263  1153.15  115.584  1022.90  153.172  301.328   15.412  281.290   21.981 20.03796 26.84546 
1 1 1   -5  -22    2 o  231.087   12.318  675.379   70.828  629.000   89.684  752.252  115.463  221.920   16.297  241.755   19.286 -19.83539 25.24983 
1 1 1   -5  -22    4 o  348.263   17.632  1554.57  152.845  1554.57  152.845   0.0000   0.0000  348.263   17.632  ?   ?  0.000000 17.63235 
1 1 1   -5  -22    5 o  192.354   10.698  467.744   51.184  532.040   67.654  381.682   78.272  204.518   13.320  171.500   18.573 33.01790 22.85558 
1 1 1   -5  -22    6 o  308.692   14.399  1211.26  110.999  1124.79  138.504  1366.51  185.585  295.042   18.898  322.643   23.189 -27.60104 29.91403 
1 1 1   -5  -22    7 o   73.532   16.289   71.737   29.123   48.493   87.073   74.665   30.902   76.010   30.366   74.933   16.916 1.076981 34.75998 
1 1 1   -5  -22    8 o   70.597   14.042   65.534   23.884   70.444   40.135   62.842   29.720   72.693   20.958   68.655   17.333 4.038246 27.19668 
1 1 1   -5  -22    9 o   18.307   8.7589 -15.6994   11.349 -33.2653   33.102 -13.3594   12.082   33.327   15.649   19.903   9.3794 13.42445 18.24470 
1 1 1   -5  -22   10 o   79.917   14.063   83.633   27.041   76.290   45.137   87.743   33.772   75.482   22.359   81.151   17.199 -5.669647 28.20891 
1 1 1   -5  -22   11 f  261.920   16.314  884.324  106.175  884.324  106.175   0.0000   0.0000  261.920   16.314  ?   ?  0.000000 16.31417 
1 1 1   -5  -22   12 o  467.842   16.834  2820.73  196.674  3096.27  246.074  2333.44  327.243  486.791   20.243  407.864   32.396 78.92682 38.20079 
1 1 1   -5  -22   13 o  178.778   12.290  408.095   54.536  429.426   77.237  386.886   77.016  181.517   17.247  171.793   18.231 9.723724 25.09620 
1 1 1   -5  -22   14 o  124.796   13.337  200.948   40.919  192.080   64.911  206.796   52.712  118.519   22.759  125.284   17.311 -6.764870 28.59484 
1 1 1   -5  -22   15 o  138.361   12.994  246.558   44.370  266.203   70.123  233.441   57.298  140.776   20.553  132.891   17.707 7.884964 27.12868 
1 1 1   -5  -22   16 o  344.609   18.255  1561.43  156.534  1888.34  255.060  1363.89  198.263  366.891   28.052  314.666   25.449 52.22568 37.87563 
1 1 1   -5  -22   17 o  132.993   13.140  229.398   43.068  274.241   71.317  203.656   54.034  141.887   20.740  123.202   18.103 18.68498 27.52945 
1 1 1   -5  -22   18 o  166.856   13.562  362.574   56.018  347.577   85.053  374.064   74.445  158.153   22.143  166.850   18.161 -8.696426 28.63765 
1 1 1   -5  -22   19 o  213.602   20.125  628.378  106.083  628.378  106.083   0.0000   0.0000  213.602   20.125  ?   ?  0.000000 20.12525 
1 1 1   -5  -22   20 o  124.841   14.715  208.745   44.992  169.408   76.953  229.175   55.459  102.931   28.804  129.037   17.676 -26.10625 33.79487 
1 1 1   -5  -22   21 o  175.422   13.600  410.014   59.112  444.414   91.643  385.504   77.354  174.973   21.421  165.198   19.104 9.775024 28.70224 
1 1 1   -5  -22   22 o  120.922   14.776  200.454   43.690  197.958   79.428  201.537   52.316  107.079   28.992  118.625   18.245 -11.54656 34.25528 
1 1 1   -5  -22   23 o   28.455   12.714  -5.0487   18.465   9.6844  168.887  -5.2269   18.576   69.510   33.396   28.482   12.737 41.02799 35.74269 
1 1 1   -5  -22   24 o  136.855   17.871  274.702   59.616  314.589  201.305  270.867   62.416   92.215   41.529  134.513   19.120 -42.29764 45.71930 
1 1 1   -5  -22   25 o  131.714   18.902  263.248   60.390  102.998  213.608  277.169   62.959   71.880   35.216  134.746   19.259 -62.86652 40.13764 
1 1 1   -5  -21    1 o   70.925   14.022   65.590   23.955   57.061   38.620   70.923   30.539   67.016   20.854   73.410   16.995 -6.394257 26.90172 
1 1 1   -5  -21    2 o  148.553   16.917  283.240   61.636   0.0000   0.0000  283.240   61.636  ?   ?   148.553   16.917 0.000000 16.91676 
1 1 1   -5  -21    3 o  376.087   27.380  1853.20  255.373  1853.20  255.373   0.0000   0.0000  376.087   27.380  ?   ?  0.000000 27.37969 
1 1 1   -5  -21    4 o  354.027   26.283  1643.20  230.702  1643.20  230.702   0.0000   0.0000  354.027   26.283  ?   ?  0.000000 26.28298 
1 1 1   -5  -21    5 o   79.226   13.636   81.572   26.004   64.691   42.548   91.638   32.854   70.719   21.869   83.505   16.340 -12.78559 27.29984 
1 1 1   -5  -21    6 o  360.948   17.797  1666.34  160.410  1783.57  229.104  1553.59  224.670  368.435   25.050  342.784   26.451 25.65079 36.43037 
1 1 1   -5  -21    7 f   63.067   14.680   52.515   22.687   86.508   40.082   36.490   27.520   80.384   20.038   54.226   17.688 26.15826 26.72825 
1 1 1   -5  -21    8 o  142.040   19.858  264.962   68.511  264.962   68.511   0.0000   0.0000  142.040   19.858  ?   ?  0.000000 19.85819 
1 1 1   -5  -21    9 o  188.730   18.539  462.608   86.244   0.0000   0.0000  462.608   86.244  ?   ?   188.730   18.539 0.000000 18.53860 
1 1 1   -5  -21   10 o  202.320   13.208  521.693   66.364  582.996   98.735  471.174   89.630  211.761   18.869  190.104   19.141 21.65747 26.87751 
1 1 1   -5  -21   11 o  206.672   12.269  543.121   63.039  530.299   83.590  560.031   95.991  202.676   16.663  207.435   18.733 -4.759521 25.07186 
1 1 1   -5  -21   12 o   37.445   14.259   12.704   18.475 -20.6672   39.735   21.908   20.868   40.271   18.264   43.840   15.395 -3.569447 23.88657 
1 1 1   -5  -21   13 o  259.240   23.080  893.155  147.850  893.155  147.850   0.0000   0.0000  259.240   23.080  ?   ?  0.000000 23.07993 
1 1 1   -5  -21   14 o   88.320   14.358  102.050   30.579  107.605   53.258   99.318   37.348   88.482   23.650   86.144   17.945 2.338272 29.68689 
1 1 1   -5  -21   15 o  330.204   13.480  1391.35  111.157  1565.88  144.307  1136.72  174.307  348.380   16.588  290.782   24.225 57.59729 29.35991 
1 1 1   -5  -21   16 o  317.479   13.599  1288.69  107.811  1441.62  141.272  1075.43  166.831  333.189   17.036  282.432   23.878 50.75696 29.33252 
1 1 1   -5  -21   17 o  144.486   15.978  273.025   56.684  344.785  158.253  262.463   60.712  146.150   41.450  140.950   17.635 5.199707 45.04555 
1 1 1   -5  -21   18 o  149.523   12.750  288.347   47.152  365.257   76.573  241.370   59.844  165.482   18.867  134.436   18.302 31.04651 26.28552 
1 1 1   -5  -21   19 o  144.723   13.359  272.282   47.733  295.133   77.230  258.157   60.720  146.202   21.821  138.735   17.947 7.467712 28.25383 
1 1 1   -5  -21   20 o  132.548   13.845  230.809   45.149  245.828   76.223  222.692   56.037  130.658   24.255  128.043   18.024 2.614319 30.21843 
1 1 1   -5  -21   21 o  226.577   25.909  758.840  143.959  758.840  143.959   0.0000   0.0000  226.577   25.909  ?   ?  0.000000 25.90906 
1 1 1   -5  -21   22 o   98.939   15.905  134.389   37.965   99.262   73.479  147.182   44.342   79.665   28.787  102.402   17.997 -22.73676 33.95024 
1 1 1   -5  -21   23 o  106.768   15.197  156.790   39.374  170.623   78.006  152.060   45.611   99.436   29.378  103.009   18.407 -3.572998 34.66783 
1 1 1   -5  -21   24 o   38.172   15.378   12.246   22.537 -26.0375  182.365   12.840   22.711   69.338   33.650   38.524   15.467 30.81371 37.03397 
1 1 1   -5  -21   25 o   47.684   17.230   30.224   26.323 -30.0068  185.688   31.459   26.591   66.973   32.816   48.349   17.337 18.62393 37.11425 
1 1 1   -5  -21   26 o   54.562   18.295   44.241   29.382 -199.8655  202.323   49.500   29.696   58.914   29.691   57.230   18.349 1.684254 34.90340 
1 1 1   -5  -20    1 o  282.344   21.800  1019.37  152.512   0.0000   0.0000  1019.37  152.512  ?   ?   282.344   21.800 0.000000 21.79982 
1 1 1   -5  -20    2 o  124.954   11.482  197.673   35.428  259.547   54.646  152.810   46.532  142.615   15.599  108.540   17.784 34.07511 23.65521 
1 1 1   -5  -20    3 o   52.398   14.189   35.753   19.024   44.667   34.555   31.876   22.788   60.423   19.826   50.633   16.057 9.789505 25.51260 
1 1 1   -5  -20    4 o   66.214   13.940   57.349   22.320   54.921   38.190   58.609   27.507   65.904   20.774   66.732   16.580 -0.8283005 26.57962 
1 1 1   -5  -20    5 o  213.167   19.938  585.298  104.900  585.298  104.900   0.0000   0.0000  213.167   19.938  ?   ?  0.000000 19.93789 
1 1 1   -5  -20    6 o   75.737   13.259   74.488   24.163   91.940   40.543   64.874   30.092   83.141   19.809   70.042   17.305 13.09916 26.30342 
1 1 1   -5  -20    7 o  192.314   11.771  468.038   56.257  628.911   84.170  338.145   75.632  222.096   15.269  161.437   19.133 60.65875 24.47914 
1 1 1   -5  -20    8 o  132.352   11.935  222.848   39.022  269.668   60.666  189.804   50.965  144.388   17.161  120.743   17.406 23.64512 24.44301 
1 1 1   -5  -20    9 o   69.588   14.647   63.757   24.647   36.097   42.920   77.366   30.106   58.970   21.887   76.503   16.260 -17.53320 27.26555 
1 1 1   -5  -20   10 o  111.191   16.739  161.355   45.038   0.0000   0.0000  161.355   45.038  ?   ?   111.191   16.739 0.000000 16.73905 
1 1 1   -5  -20   11 o   47.628   15.209   28.396   20.419   13.052   41.052   33.440   23.537   50.140   20.548   51.467   16.318 -1.327278 26.23970 
1 1 1   -5  -20   12 o   67.226   15.568   59.961   25.620   20.731   46.915   76.632   30.583   55.143   22.198   75.947   16.590 -20.80417 27.71222 
1 1 1   -5  -20   13 f  213.136   13.534  579.702   71.662  641.437  107.444  530.232   96.180  221.695   19.610  201.539   19.348 20.15562 27.54851 
1 1 1   -5  -20   14 o   82.634   24.844   92.250   55.424   92.250   55.424   0.0000   0.0000   82.634   24.844  ?   ?  0.000000 24.84426 
1 1 1   -5  -20   15 o  271.253   15.228  944.614  102.734  1051.48  151.607  853.877  139.699  282.363   21.666  253.935   22.255 28.42795 31.05976 
1 1 1   -5  -20   16 o  243.678   13.361  758.804   80.991  754.143  108.338  764.708  121.941  240.615   18.164  240.983   20.457 -0.3677368 27.35728 
1 1 1   -5  -20   17 o   79.050   15.538   82.919   29.579   96.841   56.369   77.629   34.747   83.973   25.012   75.814   18.514 8.158676 31.11851 
1 1 1   -5  -20   18 o  187.900   15.427  457.698   71.749  760.600  172.147  394.018   78.931  231.478   30.526  172.815   18.582 58.66257 35.73656 
1 1 1   -5  -20   19 o  164.115   13.222  347.228   53.728  347.469   81.767  347.045   71.276  160.531   20.892  161.987   17.920 -1.456284 27.52493 
1 1 1   -5  -20   20 o  220.247   13.097  625.870   71.710  709.757  103.532  548.513   99.420  231.312   18.067  201.871   19.984 29.44043 26.94046 
1 1 1   -5  -20   21 o  192.253   12.844  479.232   61.307  591.564   94.008  396.107   80.869  209.999   18.104  170.784   19.301 39.21484 26.46227 
1 1 1   -5  -20   22 o  229.696   26.036  774.195  146.704  774.195  146.704   0.0000   0.0000  229.696   26.036  ?   ?  0.000000 26.03624 
1 1 1   -5  -20   23 o   96.526   15.832  127.452   36.839  121.829   74.131  129.297   42.451   87.156   29.060   95.848   18.405 -8.691902 34.39822 
1 1 1   -5  -20   24 o   63.426   17.298   57.447   28.156   59.294   70.920   57.101   30.677   67.473   27.246   63.002   18.369 4.471294 32.85978 
1 1 1   -5  -20   25 o   60.725   18.426   53.838   30.384 -45.1971  185.651   56.564   30.799   69.364   33.729   62.121   18.485 7.243034 38.46204 
1 1 1   -5  -20   26 o   73.384   19.119   81.519   35.388 -110.4722  202.584   87.562   35.940   65.245   32.393   76.215   18.961 -10.97031 37.53428 
1 1 1   -5  -20   27 o   97.546   18.484  142.562   43.377  390.080  215.653  132.125   44.282   96.857   43.351   92.734   19.729 4.123039 47.62931 
1 1 1   -5  -20   28 o  106.488   18.833  173.543   48.248  201.604  214.499  172.048   49.517   76.679   37.039  105.274   19.555 -28.59542 41.88459 
1 1 1   -5  -19    1 o  214.672   14.273  581.503   76.076  460.659  109.761  693.227  105.538  189.039   23.777  233.753   18.224 -44.71404 29.95808 
1 1 1   -5  -19    3 o  184.948   12.182  431.299   55.947  503.718   82.082  368.463   76.459  199.147   16.658  169.771   18.326 29.37640 24.76542 
1 1 1   -5  -19    4 o  390.245   17.988  1927.23  175.297  2211.24  250.202  1653.41  245.676  415.102   24.242  357.212   27.759 57.89017 36.85493 
1 1 1   -5  -19    5 o  203.659   12.435  523.541   62.940  629.640   92.320  431.403   86.032  222.498   16.738  183.383   19.065 39.11458 25.37052 
1 1 1   -5  -19    6 f  161.993   12.651  332.382   50.772  326.172   74.630  337.732   69.273  159.006   19.183  162.297   17.362 -3.291824 25.87289 
1 1 1   -5  -19    7 o  135.208   12.259  232.128   40.941  239.740   61.719  226.146   54.711  135.983   18.668  132.442   16.930 3.541214 25.20151 
1 1 1   -5  -19    8 o  170.151   11.576  366.312   48.893  496.559   74.184  266.281   65.012  197.379   15.167  143.299   18.607 54.08002 24.00511 
1 1 1   -5  -19    9 o   56.865   14.718   42.530   21.061   48.770   38.998   39.961   25.024   63.063   21.078   55.689   16.683 7.373402 26.88150 
1 1 1   -5  -19   10 o  115.420   12.109  170.009   34.380  213.443   55.072  142.273   44.009  128.080   17.691  104.183   17.539 23.89621 24.91164 
1 1 1   -5  -19   11 o   91.019   17.035  109.124   37.295   0.0000   0.0000  109.124   37.295  ?   ?    91.019   17.035 0.000000 17.03470 
1 1 1   -5  -19   12 o  297.744   15.280  1132.21  113.227  1301.77  164.144  978.291  156.391  316.309   20.899  272.747   23.181 43.56125 31.21090 
1 1 1   -5  -19   13 o   43.669   15.028   22.251   19.836   30.495   43.661   20.106   22.267   57.084   21.877   43.545   15.830 13.53897 27.00348 
1 1 1   -5  -19   14 o  143.524   12.785  263.176   45.343  316.282   73.988  231.232   57.382  155.278   19.512  133.047   17.711 22.23108 26.35136 
1 1 1   -5  -19   15 o  357.587   27.627  1725.43  244.784  1725.43  244.784   0.0000   0.0000  357.587   27.627  ?   ?  0.000000 27.62690 
1 1 1   -5  -19   16 o  100.229   14.178  130.417   34.495  126.011   61.180  132.470   41.767   95.597   25.252  100.142   17.329 -4.545540 30.62593 
1 1 1   -5  -19   17 o  279.382   14.731  1000.49  102.408  1203.81  152.495  833.484  138.209  303.120   20.263  250.742   22.306 52.37801 30.13512 
1 1 1   -5  -19   18 o  132.605   13.868  226.787   45.244  269.439   77.041  204.332   55.899  141.267   22.601  124.225   18.591 17.04234 29.26481 
1 1 1   -5  -19   19 f  151.511   13.897  295.973   51.993  331.212   88.188  277.198   64.371  156.171   23.328  144.978   18.180 11.19240 29.57559 
1 1 1   -5  -19   20 o  223.135   13.133  639.072   72.856  720.250  105.534  565.154  100.704  234.076   18.198  206.248   19.796 27.82813 26.88916 
1 1 1   -5  -19   21 o  145.839   14.226  276.771   51.149  219.512   81.670  313.726   65.610  123.321   27.246  153.884   17.378 -30.56335 32.31657 
1 1 1   -5  -19   22 o   86.852   17.036  102.483   35.628   20.752   70.082  130.969   41.374   61.905   26.216   98.270   17.502 -36.36483 31.52112 
1 1 1   -5  -19   23 o  261.770   26.874  1005.91  173.182  1005.91  173.182   0.0000   0.0000  261.770   26.874  ?   ?  0.000000 26.87442 
1 1 1   -5  -19   24 o  138.809   13.875  255.689   47.450  322.955   84.958  225.195   57.203  148.499   23.708  127.342   18.532 21.15672 30.09147 
1 1 1   -5  -19   25 o  108.305   16.316  162.084   42.758   76.652   82.972  192.975   49.893   73.556   29.552  117.493   17.542 -43.93707 34.36621 
1 1 1   -5  -19   26 o   96.164   18.713  134.295   43.320   0.0000   0.0000  134.295   43.320  ?   ?    96.164   18.713 0.000000 18.71316 
1 1 1   -5  -19   27 o  103.929   45.447  399.344  223.975  399.344  223.975   0.0000   0.0000  103.929   45.447  ?   ?  0.000000 45.44662 
1 1 1   -5  -19   28 o  185.183   17.658  497.776   80.667  980.194  247.063  440.212   85.344  171.007   52.669  170.138   20.500 0.8689880 56.51771 
1 1 1   -5  -19   29 o   63.869   19.217   63.852   33.150  138.149  231.238   62.293   33.496   74.108   36.375   63.027   19.390 11.08096 41.22031 
1 1 1   -5  -18    1 o  370.499   26.356  1751.38  242.255  1751.38  242.255   0.0000   0.0000  370.499   26.356  ?   ?  0.000000 26.35588 
1 1 1   -5  -18    2 o  381.695   18.562  1835.96  176.924  1864.28  251.554  1808.24  248.883  381.934   26.540  376.079   26.674 5.855042 37.62814 
1 1 1   -5  -18    3 o  258.526   20.666  850.297  132.303   0.0000   0.0000  850.297  132.303  ?   ?   258.526   20.666 0.000000 20.66614 
1 1 1   -5  -18    4 o  191.052   12.841  460.270   60.908  478.287   89.198  444.531   83.370  193.739   18.668  186.829   18.096 6.909592 25.99933 
1 1 1   -5  -18    5 o  299.486   14.870  1129.11  111.212  1324.84  159.890  945.661  154.789  322.772   19.935  271.617   23.038 51.15479 30.46534 
1 1 1   -5  -18    6 o   93.381   12.228  111.396   27.829  152.764   45.181   86.106   35.326  108.653   17.227   80.949   17.946 27.70399 24.87633 
1 1 1   -5  -18    7 o   82.146   13.174   87.030   26.111   89.422   43.014   85.634   32.858   82.214   20.905   80.813   16.829 1.401230 26.83690 
1 1 1   -5  -18    8 o  302.644   23.577  1184.40  176.782  1184.40  176.782   0.0000   0.0000  302.644   23.577  ?   ?  0.000000 23.57737 
1 1 1   -5  -18    9 o  100.407   12.720  129.079   31.178  136.109   50.373  124.714   39.695  101.381   20.600   97.779   16.866 3.601891 26.62337 
1 1 1   -5  -18   10 o  232.614   13.594  686.276   78.622  771.178  114.720  611.080  107.963  244.908   18.904  217.426   20.112 27.48207 27.60203 
1 1 1   -5  -18   11 o   90.207   13.065  104.928   28.574  127.442   48.098   92.648   35.521   97.850   20.347   83.702   17.555 14.14817 26.87348 
1 1 1   -5  -18   12 o  123.725   12.616  195.457   38.433  215.982   62.101  182.716   48.930  128.115   20.070  118.500   17.024 9.614647 26.31756 
1 1 1   -5  -18   13 o  145.135   12.933  268.696   46.380  294.553   75.350  252.923   58.850  149.673   20.715  139.626   17.245 10.04713 26.95376 
1 1 1   -5  -18   14 f  288.832   15.070  1065.12  108.317  1228.19  157.761  919.686  148.982  307.295   20.679  264.595   22.770 42.70059 30.75823 
1 1 1   -5  -18   15 o  246.323   14.431  774.573   88.381  835.124  130.182  722.802  120.374  252.886   20.799  235.207   20.705 17.67924 29.34800 
1 1 1   -5  -18   16 o  132.748   13.764  226.273   44.964  193.046   71.812  247.699   57.667  118.886   24.983  137.969   17.105 -19.08297 30.27711 
1 1 1   -5  -18   17 o  222.715   13.183  632.198   72.990  814.761  111.380  494.783   96.631  250.876   17.896  194.206   20.222 56.67067 27.00342 
1 1 1   -5  -18   18 o   56.297   16.280   41.606   24.186  172.928   59.303   15.405   26.489  113.211   21.767   43.371   16.926 69.83932 27.57347 
1 1 1   -5  -18   19 o  239.189   13.579  731.403   80.772  954.127  124.524  569.629  106.127  270.670   18.535  207.726   20.736 62.94389 27.81217 
1 1 1   -5  -18   20 o  150.510   13.273  291.028   49.376  379.437   85.414  246.656   60.511  168.902   20.683  136.769   18.167 32.13374 27.52852 
1 1 1   -5  -18   21 o  186.219   19.011  458.312   87.168   0.0000   0.0000  458.312   87.168  ?   ?   186.219   19.011 0.000000 19.01143 
1 1 1   -5  -18   22 o  117.871   14.948  182.100   43.010  159.328   76.498  192.626   52.009  104.555   28.512  120.108   17.886 -15.55302 33.65804 
1 1 1   -5  -18   23 o  277.026   14.148  996.481   97.546  1082.79  134.191  899.776  142.045  284.497   18.998  255.901   22.455 28.59544 29.41333 
1 1 1   -5  -18   24 o  156.525   13.405  320.271   51.893  424.578   88.211  265.069   64.171  175.441   20.522  139.238   18.948 36.20311 27.93182 
1 1 1   -5  -18   25 o   40.082   15.747   14.171   23.052 -17.5994   69.826   18.057   24.421   53.076   24.125   42.566   16.350 10.50971 29.14349 
1 1 1   -5  -18   26 o   43.658   16.383   21.193   24.177   20.936   79.051   21.219   25.394   61.620   26.971   44.158   16.741 17.46204 31.74425 
1 1 1   -5  -18   27 o  108.089   16.779  163.942   43.821   47.225   82.502  209.811   51.720   65.942   28.201  121.945   17.485 -56.00282 33.18126 
1 1 1   -5  -18   28 f  168.346   17.096  401.161   70.874  853.494  235.430  356.083   74.321  171.644   51.114  155.862   19.523 15.78159 54.71603 
1 1 1   -5  -18   29 o   89.372   18.465  118.883   39.847  427.447  229.422  109.285   40.462  102.025   45.247   84.779   19.516 17.24604 49.27690 
1 1 1   -5  -18   30 o  188.218   18.773  530.343   87.060  786.743  265.504  499.453   92.155  120.939   51.111  179.045   21.011 -58.10575 55.26109 
1 1 1   -5  -17    1 o  340.085   16.885  1452.43  143.397  1522.30  204.126  1384.35  201.488  346.417   23.740  330.075   24.622 16.34268 34.20260 
1 1 1   -5  -17    2 o  225.852   13.192  641.461   74.076  720.604  106.778  568.031  102.852  238.727   18.045  211.510   19.700 27.21687 26.71476 
1 1 1   -5  -17    3 f  590.894   26.022  4429.69  383.979  4842.05  544.758  4022.53  541.315  612.543   35.769  556.290   39.218 56.25323 53.08016 
1 1 1   -5  -17    4 o  189.498   12.625  452.228   59.402  487.276   86.778  421.324   81.485  195.918   17.936  182.020   18.170 13.89819 25.53145 
1 1 1   -5  -17    5 o  179.524   17.637  409.913   78.046   0.0000   0.0000  409.913   78.046  ?   ?   179.524   17.637 0.000000 17.63680 
1 1 1   -5  -17    6 o  150.736   12.056  286.872   45.002  318.097   67.322  261.651   60.506  157.898   17.361  143.040   17.290 14.85820 24.50163 
1 1 1   -5  -17    7 o  346.467   16.749  1514.76  144.913  1693.76  207.245  1343.52  202.706  364.024   22.915  323.203   25.318 40.82159 34.14825 
1 1 1   -5  -17    8 o  112.393   12.453  160.688   34.363  157.679   53.381  162.817   44.906  109.758   20.221  112.384   16.491 -2.626526 26.09319 
1 1 1   -5  -17    9 o  245.236   21.117  772.744  128.058  772.744  128.058   0.0000   0.0000  245.236   21.117  ?   ?  0.000000 21.11667 
1 1 1   -5  -17   10 o  167.186   12.195  353.740   50.563  416.369   75.798  303.525   67.872  180.382   17.029  153.517   18.049 26.86504 24.81418 
1 1 1   -5  -17   11 o   82.184   13.562   87.489   26.861  112.071   46.906   75.493   32.766   91.728   20.939   75.540   17.682 16.18764 27.40616 
1 1 1   -5  -17   12 o  168.529   12.252  360.175   51.212  429.417   77.584  306.712   68.173  182.815   17.197  154.005   18.070 28.81013 24.94510 
1 1 1   -5  -17   13 o  180.889   12.455  415.215   55.917  498.711   84.930  351.326   74.291  196.884   17.455  164.717   18.374 32.16728 25.34375 
1 1 1   -5  -17   14 o  128.462   16.887  214.099   52.860   0.0000   0.0000  214.099   52.860  ?   ?   128.462   16.887 0.000000 16.88708 
1 1 1   -5  -17   15 o  170.399   12.617  369.349   53.307  439.827   82.480  318.792   69.857  184.317   18.156  156.646   18.197 27.67067 25.70532 
1 1 1   -5  -17   16 o   99.490   13.363  127.676   32.360  164.595   56.643  109.789   39.427  110.955   21.217   90.993   17.989 19.96210 27.81630 
1 1 1   -5  -17   17 o  147.354   13.047  277.415   47.513  306.488   76.080  258.826   60.836  152.545   20.490  140.956   17.672 11.58946 27.05804 
1 1 1   -5  -17   18 o  252.695   23.129  844.310  144.331  844.310  144.331   0.0000   0.0000  252.695   23.129  ?   ?  0.000000 23.12894 
1 1 1   -5  -17   19 o  164.588   12.803  345.852   52.207  474.593   86.542  272.198   65.459  190.910   18.380  144.055   18.633 46.85452 26.17302 
1 1 1   -5  -17   20 o  128.988   14.553  215.009   46.056  162.122   79.209  242.022   56.609  107.259   28.915  136.141   17.023 -28.88236 33.55402 
1 1 1   -5  -17   21 o  139.629   13.369  250.660   46.046  371.080   84.462  199.734   54.926  167.174   20.673  122.841   18.478 44.33311 27.72709 
1 1 1   -5  -17   22 o   70.706   18.443   67.570   32.905   0.0000   0.0000   67.570   32.905  ?   ?    70.706   18.443 0.000000 18.44316 
1 1 1   -5  -17   23 o  112.083   14.862  164.596   40.571  189.150   81.193  156.425   46.837  114.178   28.551  108.082   17.986 6.096581 33.74397 
1 1 1   -5  -17   24 o  159.914   27.143  367.627  104.517  367.627  104.517   0.0000   0.0000  159.914   27.143  ?   ?  0.000000 27.14316 
1 1 1   -5  -17   25 o  129.684   17.871  227.695   56.337   0.0000   0.0000  227.695   56.337  ?   ?   129.684   17.871 0.000000 17.87105 
1 1 1   -5  -17   26 o   84.538   29.594  109.467   77.086  109.467   77.086   0.0000   0.0000   84.538   29.594  ?   ?  0.000000 29.59386 
1 1 1   -5  -17   27 o   89.796   18.068  113.881   39.111 -52.5222   75.533  174.841   45.717   49.400   23.332  112.592   16.772 -63.19169 28.73505 
1 1 1   -5  -17   28 o   70.215   17.720   71.057   31.071   37.844   74.343   78.086   34.202   62.864   26.824   73.204   18.655 -10.33958 32.67366 
1 1 1   -5  -17   29 o  177.557   18.089  450.282   79.085  589.962  245.609  434.125   83.534  125.715   50.725  172.286   19.774 -46.57071 54.44326 
1 1 1   -5  -17   30 o   49.217   17.653   32.511   27.572  213.094  225.312   29.765   27.781   85.208   40.261   47.952   17.644 37.25644 43.95777 
1 1 1   -5  -17   31 o   84.465   19.166  109.333   39.498  210.857  248.558  106.702   40.007   79.849   38.873   83.043   19.606 -3.194077 43.53717 
1 1 1   -5  -16    1 o  772.723   49.725  7808.80  954.422  7808.80  954.422   0.0000   0.0000  772.723   49.725  ?   ?  0.000000 49.72540 
1 1 1   -5  -16    2 o  587.378   26.284  4363.09  385.524  4530.23  546.209  4197.16  544.223  593.774   37.022  570.834   38.402 22.94000 53.34120 
1 1 1   -5  -16    3 o  565.533   25.060  4043.06  353.908  4392.73  501.989  3697.50  499.027  585.329   34.496  535.543   37.552 49.78638 50.99147 
1 1 1   -5  -16    4 o  395.362   18.643  1966.25  184.058  2125.39  261.932  1811.02  258.693  408.897   25.784  376.796   27.687 32.10202 37.83401 
1 1 1   -5  -16    5 o  133.098   12.128  223.782   39.868  230.258   59.871  218.622   53.439  134.046   18.369  130.845   16.739 3.201141 24.85163 
1 1 1   -5  -16    6 o  206.572   18.561  541.925   94.727   0.0000   0.0000  541.925   94.727  ?   ?   206.572   18.561 0.000000 18.56146 
1 1 1   -5  -16    7 f  478.969   22.173  2907.09  265.202  2999.08  376.633  2816.63  373.492  481.986   31.465  466.651   32.249 15.33435 45.05549 
1 1 1   -5  -16    8 o  321.984   15.390  1305.07  123.746  1564.85  178.090  1062.56  172.072  350.930   20.410  287.876   24.159 63.05399 31.62686 
1 1 1   -5  -16    9 o  575.114   25.026  4232.37  359.417  4813.03  511.085  3664.24  505.544  606.394   33.887  525.075   38.831 81.31897 51.53786 
1 1 1   -5  -16   10 f  207.203   19.925  550.503  101.826  550.503  101.826   0.0000   0.0000  207.203   19.925  ?   ?  0.000000 19.92519 
1 1 1   -5  -16   11 o  266.483   14.784  899.494   97.994  954.400  141.358  848.695  135.967  272.613   20.924  256.823   21.395 15.79019 29.92640 
1 1 1   -5  -16   12 o  131.005   12.765  218.352   41.229  196.915   63.168  234.263   54.419  122.261   21.473  134.933   16.494 -12.67224 27.07669 
1 1 1   -5  -16   13 o  128.052   12.276  208.619   38.772  241.360   60.792  186.169   50.340  136.390   18.311  119.756   17.338 16.63482 25.21694 
1 1 1   -5  -16   14 o  151.878   12.748  293.371   47.901  302.663   73.621  286.549   63.079  152.378   19.816  148.959   17.279 3.419296 26.29155 
1 1 1   -5  -16   15 o  347.252   25.733  1589.76  221.555   0.0000   0.0000  1589.76  221.555  ?   ?   347.252   25.733 0.000000 25.73284 
1 1 1   -5  -16   16 o   73.332   15.223   70.845   26.964   65.253   50.350   73.093   31.928   72.034   23.946   74.148   17.521 -2.114479 29.67185 
1 1 1   -5  -16   17 o   91.776   14.325  109.422   31.758  100.007   56.068  113.870   38.535   86.120   24.754   92.936   17.239 -6.816376 30.16562 
1 1 1   -5  -16   18 o  174.003   13.591  386.484   58.587  372.192   90.121  396.946   77.103  167.808   22.039  174.983   17.897 -7.175156 28.39068 
1 1 1   -5  -16   19 o  117.802   24.820  189.206   70.710  189.206   70.710   0.0000   0.0000  117.802   24.820  ?   ?  0.000000 24.82003 
1 1 1   -5  -16   20 o  179.901   13.605  413.672   60.670  443.974   95.586  393.229   78.512  183.471   21.257  173.728   18.376 9.743317 28.09879 
1 1 1   -5  -16   21 o  104.242   14.321  140.999   36.293  212.424   71.429  116.142   42.138  125.026   23.747   93.215   18.752 31.81054 30.25793 
1 1 1   -5  -16   22 o   56.930   17.195   42.281   26.504   23.852   64.683   46.000   29.055   62.593   25.739   59.328   18.022 3.265408 31.42122 
1 1 1   -5  -16   23 o  173.344   18.343  394.886   78.194   0.0000   0.0000  394.886   78.194  ?   ?   173.344   18.343 0.000000 18.34265 
1 1 1   -5  -16   24 o   45.505   16.626   22.447   24.609 -88.0639   71.549   37.273   26.207   45.685   21.893   53.846   17.235 -8.160561 27.86285 
1 1 1   -5  -16   25 o  138.524   15.373  252.088   52.282  213.021   99.682  266.913   61.405  117.814   32.717  141.445   17.777 -23.63132 37.23505 
1 1 1   -5  -16   26 o   79.113   17.792   86.207   34.298   63.040   74.773   92.380   38.598   72.947   28.446   81.423   19.281 -8.475555 34.36455 
1 1 1   -5  -16   27 o   52.133   23.718 -20.1404   67.680 -20.1404   67.680   0.0000   0.0000   52.133   23.718  ?   ?  0.000000 23.71763 
1 1 1   -5  -16   28 o   54.921   17.345   41.330   26.613   31.943   71.642   42.833   28.664   62.438   26.478   55.927   18.037 6.511673 32.03760 
1 1 1   -5  -16   29 o  160.425   15.508  351.243   61.350  259.456  100.711  405.402   77.360  120.418   32.664  169.402   18.593 -48.98437 37.58497 
1 1 1   -5  -16   30 o   50.821   17.606   34.918   27.248  264.510  220.399   31.354   27.459   94.942   43.041   49.092   17.616 45.84962 46.50610 
1 1 1   -5  -16   31 o  136.718   17.681  269.053   58.950  492.853  250.197  255.899   60.658  107.824   47.563  132.077   18.933 -24.25335 51.19244 
1 1 1   -5  -16   32 o   79.042   19.533   96.412   38.332   71.390  256.172   96.985   38.769   74.056   36.709   79.159   19.693 -5.103378 41.65735 
1 1 1   -5  -16   33 o   62.158   19.204   60.946   32.818  265.652  269.734   57.870   33.063   77.492   38.275   60.599   19.354 16.89306 42.89053 
1 1 1   -5  -15    1 o  585.909   26.191  4334.02  383.207  4498.50  542.808  4170.58  541.070  592.669   36.859  570.032   38.232 22.63708 53.10595 
1 1 1   -5  -15    2 o  461.701   30.992  2715.87  355.253  2715.87  355.253   0.0000   0.0000  461.701   30.992  ?   ?  0.000000 30.99218 
1 1 1   -5  -15    3 o  318.111   16.184  1272.52  128.137  1358.32  182.349  1188.82  180.100  327.651   22.421  306.172   23.741 21.47858 32.65522 
1 1 1   -5  -15    4 f  107.717   12.206  147.122   32.253  140.388   48.114  152.617   43.464  104.061   19.223  109.083   16.469 -5.021973 25.31326 
1 1 1   -5  -15    5 o  426.928   20.037  2293.87  213.617  2394.27  303.337  2195.08  300.877  433.638   28.165  414.819   29.233 18.81909 40.59309 
1 1 1   -5  -15    6 f  407.959   19.081  2094.48  194.392  2276.06  276.507  1917.03  273.344  423.006   26.307  387.456   28.450 35.55038 38.74855 
1 1 1   -5  -15    7 o  382.864   26.766  1870.81  254.295   0.0000   0.0000  1870.81  254.295  ?   ?   382.864   26.766 0.000000 26.76596 
1 1 1   -5  -15    8 o  589.284   26.280  4419.12  386.724  4710.15  548.661  4131.78  545.177  602.046   36.669  562.251   39.072 39.79529 53.58362 
1 1 1   -5  -15    9 o  256.222   14.783  828.086   94.184  809.542  135.455  845.443  131.047  251.846   21.752  257.707   20.534 -5.860703 29.91276 
1 1 1   -5  -15   10 o  386.121   18.026  1883.75  173.808  2126.97  248.434  1650.57  243.251  407.566   24.524  357.707   27.441 49.85959 36.80255 
1 1 1   -5  -15   11 o  144.150   12.273  262.962   43.759  288.842   66.277  242.964   58.263  150.029   18.053  137.576   17.344 12.45296 25.03464 
1 1 1   -5  -15   12 o   96.953   21.548  124.566   50.818  124.566   50.818   0.0000   0.0000   96.953   21.548  ?   ?  0.000000 21.54843 
1 1 1   -5  -15   13 o  141.943   12.809  255.893   44.914  234.439   68.338  272.209   59.594  133.843   21.149  145.609   16.691 -11.76561 26.94172 
1 1 1   -5  -15   14 o  146.130   12.391  271.091   44.791  307.937   69.301  244.656   58.699  154.395   18.333  137.620   17.474 16.77496 25.32680 
1 1 1   -5  -15   15 o  148.388   12.799  280.048   46.962  278.233   71.915  281.398   62.009  145.933   20.282  147.696   17.131 -1.763397 26.54882 
1 1 1   -5  -15   16 o  152.040   17.303  298.584   64.524   0.0000   0.0000  298.584   64.524  ?   ?   152.040   17.303 0.000000 17.30283 
1 1 1   -5  -15   17 o  123.359   13.233  194.738   40.127  185.545   65.172  200.352   50.925  117.645   23.008  124.234   16.850 -6.588737 28.51821 
1 1 1   -5  -15   18 o  183.986   13.077  430.721   59.690  486.525   91.573  389.495   78.708  193.596   19.195  173.285   18.474 20.31131 26.64046 
1 1 1   -5  -15   19 f  198.049   13.822  500.135   67.932  512.987  103.641  490.456   89.948  197.833   21.316  194.435   18.758 3.397873 28.39400 
1 1 1   -5  -15   20 o   90.443   25.915  111.288   61.538  111.288   61.538   0.0000   0.0000   90.443   25.915  ?   ?  0.000000 25.91531 
1 1 1   -5  -15   21 o  270.362   14.767  934.232   99.319  1105.84  149.097  797.334  133.165  291.100   20.644  246.305   21.878 44.79591 30.08073 
1 1 1   -5  -15   22 o  158.598   13.458  322.003   52.798  387.613   88.813  286.141   65.660  171.192   21.231  147.933   18.155 23.25938 27.93472 
1 1 1   -5  -15   23 o  117.591   14.948  179.489   42.901  169.270   82.288  183.304   50.275  109.369   29.466  118.017   17.597 -8.648132 34.32082 
1 1 1   -5  -15   24 o   45.871   16.919   22.050   25.569   0.0000   0.0000   22.050   25.569  ?   ?    45.871   16.919 0.000000 16.91927 
1 1 1   -5  -15   25 o   57.419   24.709   5.0805   64.051   5.0805   64.051   0.0000   0.0000   57.419   24.709  ?   ?  0.000000 24.70917 
1 1 1   -5  -15   26 o   72.302   17.317   71.146   30.854   62.806   71.851   73.032   34.164   73.453   28.085   72.987   18.670 0.4661865 33.72404 
1 1 1   -5  -15   27 o   33.690   14.180   2.9927   20.299 -45.4216   68.331   7.6789   21.259   49.116   22.872   36.372   14.833 12.74442 27.26093 
1 1 1   -5  -15   28 o   66.720   27.652   41.020   75.454   41.020   75.454   0.0000   0.0000   66.720   27.652  ?   ?  0.000000 27.65220 
1 1 1   -5  -15   29 o   33.183   14.259   0.7534   21.271 -42.8760   70.600   5.1092   22.308   49.096   22.990   35.599   14.917 13.49644 27.40532 
1 1 1   -5  -15   30 o  115.855   15.306  183.549   43.199  213.437   87.094  173.798   49.750  111.593   30.420  110.434   18.708 1.159302 35.71187 
1 1 1   -5  -15   31 o   42.489   16.394   19.223   24.634   4.8925  236.857   19.380   24.768   77.260   37.685   42.617   16.440 34.64341 41.11529 
1 1 1   -5  -15   32 f   92.496   18.580  125.981   41.426  310.614  251.871  120.848   41.998   92.990   43.505   90.035   19.262 2.954468 47.57829 
1 1 1   -5  -15   33 o   89.988   19.298  123.036   42.064   11.717  263.701  125.942   42.609   72.478   36.142   91.039   19.339 -18.56089 40.99084 
1 1 1   -5  -15   34 o   33.185   14.507   0.7422   22.810 -44.5505  274.142   1.0579   22.889   67.129   33.920   33.343   14.556 33.78639 36.91097 
1 1 1   -5  -14    1 o  130.585   11.812  215.114   38.103  178.432   54.858  249.307   52.963  117.687   19.338  140.215   15.379 -22.52866 24.70778 
1 1 1   -5  -14    2 o  622.726   27.703  4900.43  430.802  5057.84  610.019  4743.81  608.477  627.817   39.104  607.413   40.345 20.40399 56.18553 
1 1 1   -5  -14    3 o  482.745   21.809  2932.00  262.911  3236.87  372.912  2630.71  370.722  504.749   29.717  453.945   32.928 50.80417 44.35431 
1 1 1   -5  -14    4 o  373.720   18.107  1753.36  168.979  1861.26  239.728  1646.81  238.224  383.280   25.187  360.097   26.682 23.18356 36.69206 
1 1 1   -5  -14    5 o  225.464   13.418  638.935   75.205  691.991  107.950  588.901  104.830  233.985   18.629  215.570   19.691 18.41473 27.10702 
1 1 1   -5  -14    6 o  243.644   13.894  746.243   84.182  802.995  121.076  693.133  117.127  251.992   19.389  233.868   20.256 18.12364 28.03996 
1 1 1   -5  -14    7 o  227.120   13.546  648.727   76.477  690.102  110.267  610.377  106.160  233.479   19.079  219.400   19.582 14.07828 27.34009 
1 1 1   -5  -14    8 f  314.524   16.637  1246.29  130.203  1201.94  186.111  1288.80  182.220  307.265   24.458  318.571   23.062 -11.30582 33.61576 
1 1 1   -5  -14    9 o  221.275   13.217  616.262   72.696  703.896  106.828  540.681   99.210  235.727   18.291  206.192   19.499 29.53470 26.73545 
1 1 1   -5  -14   10 o  290.556   15.213  1064.17  109.999  1171.20  158.111  963.782  153.133  303.598   20.984  274.895   22.505 28.70273 30.76996 
1 1 1   -5  -14   11 o  411.397   19.485  2140.78  200.178  2266.90  285.099  2018.15  281.134  419.916   27.337  395.547   28.656 24.36880 39.60435 
1 1 1   -5  -14   12 o  370.348   18.345  1735.56  169.659  1749.87  241.915  1721.71  238.001  368.369   26.475  365.476   26.253 2.893433 37.28438 
1 1 1   -5  -14   13 o  218.364   20.373  611.797  109.811  611.797  109.811   0.0000   0.0000  218.364   20.373  ?   ?  0.000000 20.37320 
1 1 1   -5  -14   14 o  288.511   15.659  1055.97  112.396  1084.35  161.811  1029.51  156.240  289.969   22.523  282.580   22.323 7.389435 31.71114 
1 1 1   -5  -14   15 o   95.545   13.393  117.391   31.078  112.933   51.338  119.970   39.044   91.920   22.538   95.841   16.933 -3.920837 28.19051 
1 1 1   -5  -14   16 o   64.470   15.617   54.819   24.876   41.527   46.572   60.125   29.425   62.411   22.862   67.452   17.366 -5.040970 28.70977 
1 1 1   -5  -14   17 o  194.150   12.858  478.273   61.987  573.923   94.653  406.447   82.022  211.185   18.124  177.253   18.818 33.93208 26.12661 
1 1 1   -5  -14   18 o  183.068   18.183  432.914   82.027   0.0000   0.0000  432.914   82.027  ?   ?   183.068   18.183 0.000000 18.18339 
1 1 1   -5  -14   19 f  103.285   14.238  137.780   35.747  119.189   62.975  146.619   43.421   93.687   26.000  105.905   16.993 -12.21838 31.06091 
1 1 1   -5  -14   20 f  152.674   13.372  297.561   50.466  316.289   81.607  285.965   64.218  154.802   21.707  148.438   17.672 6.363281 27.99109 
1 1 1   -5  -14   21 o  217.699   14.821  605.773   80.093  560.185  120.585  641.763  107.142  205.532   23.943  222.266   19.501 -16.73393 30.87947 
1 1 1   -5  -14   22 o  122.304   14.867  193.198   44.471  158.053   79.963  208.936   53.509  106.554   29.190  126.518   17.397 -19.96463 33.98095 
1 1 1   -5  -14   23 o  113.828   15.619  168.512   43.227   47.538   74.123  230.859   53.212   71.958   28.247  133.320   16.324 -61.36177 32.62518 
1 1 1   -5  -14   24 o   57.485   17.507   42.949   27.392   36.013   66.744   44.354   30.038   66.536   26.585   58.677   18.413 7.858650 32.33865 
1 1 1   -5  -14   25 o  173.767   14.401  388.801   61.925  390.615  102.092  387.746   77.890  169.317   24.888  171.900   18.432 -2.583603 30.97077 
1 1 1   -5  -14   26 o   87.200   18.403  102.748   38.814   0.0000   0.0000  102.748   38.814  ?   ?    87.200   18.403 0.000000 18.40266 
1 1 1   -5  -14   27 o   68.242   17.441   63.351   29.833   51.887   71.536   65.765   32.824   70.536   27.731   69.379   18.576 1.156982 33.37751 
1 1 1   -5  -14   28 o   56.762   17.548   43.045   27.398   11.790   73.321   48.117   29.537   60.962   26.334   59.704   18.179 1.257702 31.99965 
1 1 1   -5  -14   29 o   56.108   25.038  -5.8353   71.367  -5.8353   71.367   0.0000   0.0000   56.108   25.038  ?   ?  0.000000 25.03822 
1 1 1   -5  -14   30 o   37.256   15.241   8.7032   22.535 -24.7411   77.229   11.816   23.560   54.115   24.887   39.192   15.747 14.92372 29.45048 
1 1 1   -5  -14   31 o   95.320   16.798  126.998   38.524  108.970   85.944  131.531   43.096   81.398   30.812   95.896   18.668 -14.49895 36.02629 
1 1 1   -5  -14   32 o   43.413   16.286   21.672   23.890   61.807   85.852   18.303   24.872   69.076   29.121   42.220   16.422 26.85635 33.43253 
1 1 1   -5  -14   33 o   43.214   16.660   20.625   25.420   7.7554  254.787   20.754   25.548   75.982   37.468   43.321   16.701 32.66056 41.02148 
1 1 1   -5  -14   34 f   32.081   14.082  -1.2018   21.689 -115.3694  256.333  -0.3785   21.767   67.973   34.146   32.423   14.173 35.54962 36.97044 
1 1 1   -5  -14   35 o   99.815   19.111  153.064   45.901  462.568  282.341  144.661   46.520   87.583   42.352   96.053   20.043 -8.469757 46.85481 
1 1 1   -5  -13    1 o  604.643   27.098  4617.31  409.148  4545.08  578.858  4689.41  578.388  595.026   39.176  604.717   38.502 -9.690735 54.92867 
1 1 1   -5  -13    2 o  512.646   23.457  3309.40  300.285  3281.86  425.084  3336.83  424.253  507.155   33.758  511.517   33.397 -4.362091 47.48595 
1 1 1   -5  -13    3 o  457.660   21.169  2633.34  241.928  2761.37  342.888  2506.43  341.393  466.222   29.605  443.717   31.005 22.50482 42.86944 
1 1 1   -5  -13    4 o  276.760   14.882  962.433  102.477  1025.11  145.820  901.276  144.046  284.853   20.640  266.809   21.810 18.04471 30.02806 
1 1 1   -5  -13    5 o  770.412   49.378  7727.41  944.961  7727.41  944.961   0.0000   0.0000  770.412   49.378  ?   ?  0.000000 49.37789 
1 1 1   -5  -13    6 o  435.045   20.258  2379.27  220.082  2536.77  312.266  2223.82  310.229  446.966   28.120  417.902   29.925 29.06342 41.06437 
1 1 1   -5  -13    7 o  371.794   18.003  1735.79  167.149  1826.98  237.697  1646.59  235.094  379.594   25.219  360.028   26.332 19.56583 36.46045 
1 1 1   -5  -13    8 o  227.368   13.427  649.934   75.897  714.084  109.521  590.664  105.274  237.651   18.603  215.816   19.753 21.83438 27.13403 
1 1 1   -5  -13    9 o  614.202   27.364  4784.85  419.700  5000.65  594.985  4571.13  592.116  622.099   38.489  593.793   40.168 28.30627 55.63158 
1 1 1   -5  -13   10 o  232.924   19.659  688.462  113.279   0.0000   0.0000  688.462  113.279  ?   ?   232.924   19.659 0.000000 19.65901 
1 1 1   -5  -13   11 o  440.056   20.910  2447.47  229.785  2423.83  326.364  2470.70  323.585  434.081   30.298  438.514   29.725 -4.432892 42.44479 
1 1 1   -5  -13   12 o  130.184   12.822  214.767   41.142  192.643   63.043  231.180   54.299  121.564   21.557  134.494   16.514 -12.92937 27.15546 
1 1 1   -5  -13   13 o  180.971   12.792  413.474   57.436  439.881   84.860  391.151   78.023  185.599   18.558  175.008   18.115 10.59122 25.93406 
1 1 1   -5  -13   14 o  289.133   23.028  1074.65  164.889  1074.65  164.889   0.0000   0.0000  289.133   23.028  ?   ?  0.000000 23.02813 
1 1 1   -5  -13   15 o  129.818   12.761  214.181   40.834  212.105   63.585  215.638   53.271  127.410   20.695  129.425   16.885 -2.014565 26.70912 
1 1 1   -5  -13   16 o  157.189   12.732  313.424   49.547  326.919   75.310  303.125   65.792  158.973   19.371  153.504   17.475 5.469635 26.08826 
1 1 1   -5  -13   17 o  294.968   15.772  1106.93  115.756  1175.93  167.500  1043.86  160.154  301.242   22.427  283.553   22.811 17.68872 31.98919 
1 1 1   -5  -13   18 o  394.680   19.339  1995.99  190.602  2061.82  272.971  1933.36  266.257  394.932   27.857  382.200   28.094 12.73190 39.56385 
1 1 1   -5  -13   19 o  313.443   23.883  1285.20  185.534   0.0000   0.0000  1285.20  185.534  ?   ?   313.443   23.883 0.000000 23.88329 
1 1 1   -5  -13   20 o  226.184   15.074  652.868   84.654  586.258  126.941  706.215  113.603  210.523   24.611  233.558   19.661 -23.03560 31.50000 
1 1 1   -5  -13   21 o   98.160   14.330  124.754   34.092  116.007   59.586  129.011   41.568   92.460   25.143   99.068   17.439 -6.607971 30.59924 
1 1 1   -5  -13   22 o  400.090   20.839  2077.72  207.479  1878.97  297.153  2266.79  289.823  370.589   32.436  411.378   28.386 -40.78970 43.10331 
1 1 1   -5  -13   24 o   92.212   27.604  116.164   68.529  116.164   68.529   0.0000   0.0000   92.212   27.604  ?   ?  0.000000 27.60381 
1 1 1   -5  -13   25 o  111.310   15.006  160.964   40.647  148.524   75.971  165.953   48.113  103.032   28.544  112.218   17.760 -9.186226 33.61856 
1 1 1   -5  -13   26 o   92.701   15.926  113.321   35.539  133.816   73.688  107.109   40.570   97.608   28.472   89.251   18.797 8.356987 34.11722 
1 1 1   -5  -13   27 o   98.469   18.252  130.091   43.227   0.0000   0.0000  130.091   43.227  ?   ?    98.469   18.252 0.000000 18.25169 
1 1 1   -5  -13   28 o  129.504   14.948  219.642   47.453  216.353   89.518  220.928   55.963  120.925   29.829  128.628   17.908 -7.702377 34.79240 
1 1 1   -5  -13   29 o   31.907   13.851  -1.9138   20.483   10.590   71.459  -3.0331   21.380   60.145   25.990   32.196   14.061 27.94954 29.54961 
1 1 1   -5  -13   30 o   29.841   13.469  -9.5256   21.313 -39.9905   74.219  -6.7876   22.250   51.678   23.989   31.450   14.011 20.22811 27.78130 
1 1 1   -5  -13   31 o   69.740   17.927   68.755   31.393   75.454   84.672   67.687   33.802   74.998   29.951   68.900   19.021 6.098427 35.48073 
1 1 1   -5  -13   32 o   93.475   17.649  123.365   39.688  111.156   94.578  125.974   43.723   82.181   32.007   93.422   19.377 -11.24142 37.41573 
1 1 1   -5  -13   33 o   85.246   17.640  104.184   36.312   69.597   90.013  110.906   39.685   71.325   29.931   87.318   18.759 -15.99265 35.32338 
1 1 1   -5  -13   34 o   87.165   18.301  111.274   38.566  409.413  258.506  104.488   39.002  101.802   46.329   83.882   19.054 17.92004 50.09410 
1 1 1   -5  -13   35 o  119.804   18.142  210.648   52.578  463.184  280.949  201.482   53.524   95.921   45.211  116.226   19.105 -20.30525 49.08247 
1 1 1   -5  -13   36 o  110.976   18.350  185.576   49.075  622.899  300.476  173.591   49.743   94.590   45.204  106.140   19.485 -11.55008 49.22459 
1 1 1   -5  -12    1 o  308.196   22.816  1202.69  174.352   0.0000   0.0000  1202.69  174.352  ?   ?   308.196   22.816 0.000000 22.81631 
1 1 1   -5  -12    2 o  548.279   24.741  3790.36  338.745  3900.74  479.855  3680.72  478.263  552.489   34.961  536.277   35.921 16.21216 50.12537 
1 1 1   -5  -12    3 f  158.572   12.046  316.475   47.342  294.364   67.736  337.590   66.195  152.083   18.197  163.268   16.460 -11.18544 24.53719 
1 1 1   -5  -12    4 o  846.504   36.888  9134.45  779.757  9595.15  1103.90  8675.66  1101.59  857.734   51.781  813.571   54.537 44.16302 75.20349 
1 1 1   -5  -12    5 o  444.366   20.691  2481.67  229.605  2588.44  325.521  2375.96  323.906  451.508   29.025  432.201   30.201 19.30646 41.88731 
1 1 1   -5  -12    6 o  406.199   27.985  2094.74  282.131  2094.74  282.131   0.0000   0.0000  406.199   27.985  ?   ?  0.000000 27.98454 
1 1 1   -5  -12    7 o  373.706   17.954  1752.76  167.552  1900.61  238.064  1607.64  235.860  387.492   24.732  355.819   26.740 31.67249 36.42365 
1 1 1   -5  -12    8 o  255.415   14.679  820.182   93.234  777.160  132.988  861.765  130.746  247.571   21.731  261.048   20.214 -13.47682 29.67909 
1 1 1   -5  -12    9 o  207.056   13.317  539.224   68.489  539.759   98.841  538.731   94.991  206.318   19.413  206.242   18.646 0.7632446E-01 26.91666 
1 1 1   -5  -12   10 o  366.352   17.662  1686.29  161.584  1828.39  230.343  1548.61  226.727  379.643   24.426  348.831   26.220 30.81168 35.83464 
1 1 1   -5  -12   11 o  147.297   17.079  276.295   61.657   0.0000   0.0000  276.295   61.657  ?   ?   147.297   17.079 0.000000 17.07929 
1 1 1   -5  -12   12 o  246.919   14.201  767.841   87.195  816.528  125.957  723.039  120.828  253.604   20.053  238.461   20.490 15.14301 28.66957 
1 1 1   -5  -12   13 f  214.433   13.434  579.574   71.574  616.757  104.636  546.878   98.119  220.180   19.223  207.246   19.176 12.93399 27.15279 
1 1 1   -5  -12   14 o  246.828   14.422  769.017   88.509  787.302  128.184  752.356  122.360  248.309   20.866  242.826   20.367 5.482910 29.15795 
1 1 1   -5  -12   15 o  235.408   20.971  710.216  121.990  710.216  121.990   0.0000   0.0000  235.408   20.971  ?   ?  0.000000 20.97118 
1 1 1   -5  -12   16 o  198.275   12.798  496.886   63.029  585.717   93.570  423.099   85.280  214.233   17.647  181.486   19.104 32.74687 26.00756 
1 1 1   -5  -12   17 o  171.934   13.364  375.043   56.927  358.296   86.489  387.843   75.615  165.993   21.361  173.855   17.662 -7.861969 27.71697 
1 1 1   -5  -12   18 o  316.090   16.850  1273.39  132.524  1279.58  191.347  1267.67  183.720  313.281   24.658  312.294   23.736 0.9869690 34.22599 
1 1 1   -5  -12   19 o  152.910   13.273  297.595   50.181  255.718   75.929  330.070   66.865  139.090   22.639  160.175   16.975 -21.08440 28.29669 
1 1 1   -5  -12   20 o  267.419   21.578  928.438  142.867   0.0000   0.0000  928.438  142.867  ?   ?   267.419   21.578 0.000000 21.57758 
1 1 1   -5  -12   21 o   80.989   14.830   85.766   28.887  125.924   54.485   70.064   34.069   96.659   22.921   72.590   18.685 24.06861 29.57141 
1 1 1   -5  -12   22 o  410.915   21.347  2190.03  218.292  1922.11  312.005  2446.93  305.519  374.642   33.711  428.034   28.750 -53.39200 44.30555 
1 1 1   -5  -12   23 f   56.822   17.745   41.191   27.934 -85.9993   59.424   77.271   31.649   40.848   19.672   76.309   17.039 -35.46183 26.02536 
1 1 1   -5  -12   24 o  172.501   23.021  394.635   96.693  394.635   96.693   0.0000   0.0000  172.501   23.021  ?   ?  0.000000 23.02109 
1 1 1   -5  -12   25 o   79.958   16.713   84.800   32.297   53.547   65.332   94.908   37.154   71.310   26.896   84.363   18.173 -13.05283 32.45959 
1 1 1   -5  -12   26 o  181.808   14.559  424.186   65.544  409.309  106.399  433.284   83.206  174.032   25.217  182.260   18.540 -8.227432 31.29917 
1 1 1   -5  -12   27 o  190.614   15.329  468.751   72.349  379.609  116.198  525.188   92.457  164.536   29.357  200.306   18.700 -35.76978 34.80730 
1 1 1   -5  -12   28 o  111.017   17.999  164.184   48.191   0.0000   0.0000  164.184   48.191  ?   ?   111.017   17.999 0.000000 17.99916 
1 1 1   -5  -12   29 o   95.231   16.691  121.390   38.245   79.333   82.753  132.813   43.127   80.032   30.250   99.183   18.078 -19.15130 35.24012 
1 1 1   -5  -12   30 o   96.509   16.099  125.032   37.432  174.072   85.449  113.386   41.641  106.554   30.540   90.643   19.004 15.91010 35.96951 
1 1 1   -5  -12   31 o   83.644   17.383   96.592   35.123   91.163   86.363   97.669   38.446   80.712   30.807   83.490   18.883 -2.777695 36.13371 
1 1 1   -5  -12   32 o   94.784   17.074  124.387   38.926   92.926   94.518  130.814   42.716   80.031   31.744   96.539   18.391 -16.50800 36.68648 
1 1 1   -5  -12   33 o   99.410   16.380  136.970   39.245  155.023  100.906  133.753   42.599   92.665   33.697   97.105   18.237 -4.439995 38.31517 
1 1 1   -5  -12   34 o   72.629   30.324   74.387   91.698   74.387   91.698   0.0000   0.0000   72.629   30.324  ?   ?  0.000000 30.32399 
1 1 1   -5  -12   35 o   98.317   18.302  140.594   43.281  172.269  260.244  139.693   43.893   85.290   41.098   97.723   18.667 -12.43288 45.13905 
1 1 1   -5  -12   36 o   96.272   18.502  137.726   42.864  629.240  290.744  126.805   43.338  106.741   48.792   91.401   19.577 15.33950 52.57273 
1 1 1   -5  -12   37 o   52.197   18.135   39.889   28.921  271.877  303.185   37.759   29.053   78.421   39.049   51.175   18.146 27.24577 43.05870 
1 1 1   -5  -11    1 o  546.741   24.730  3775.88  337.639  3893.15  477.991  3659.09  476.998  550.996   34.920  533.671   36.003 17.32532 50.15583 
1 1 1   -5  -11    2 o  427.875   29.026  2330.17  308.307   0.0000   0.0000  2330.17  308.307  ?   ?   427.875   29.026 0.000000 29.02635 
1 1 1   -5  -11    3 o  356.001   17.630  1590.64  156.729  1554.24  221.997  1626.82  221.299  350.005   25.576  358.275   24.890 -8.269196 35.68816 
1 1 1   -5  -11    4 o  259.127   14.536  843.824   93.683  816.371  132.954  870.896  132.026  253.939   21.159  262.475   20.301 -8.535599 29.32261 
1 1 1   -5  -11    5 o  344.072   17.084  1484.78  146.787  1549.88  208.186  1420.41  206.996  349.983   23.965  334.790   24.938 15.19275 34.58655 
1 1 1   -5  -11    6 o  654.023   28.879  5408.37  471.650  5686.53  667.915  5131.70  666.117  665.545   40.379  631.187   42.509 34.35840 58.62954 
1 1 1   -5  -11    7 o  762.779   48.814  7555.42  924.924  7555.42  924.924   0.0000   0.0000  762.779   48.814  ?   ?  0.000000 48.81353 
1 1 1   -5  -11    8 o  423.551   19.187  2252.79  202.933  2593.03  288.854  1921.18  285.164  452.691   25.658  388.526   29.615 64.16437 39.18339 
1 1 1   -5  -11    9 o  623.294   26.814  4907.69  417.352  5520.88  592.665  4304.50  587.813  656.999   36.264  577.939   40.995 79.06030 54.73308 
1 1 1   -5  -11   10 o  176.173   12.469  390.511   54.502  445.169   81.037  345.368   73.647  187.516   17.508  164.853   18.193 22.66252 25.24930 
1 1 1   -5  -11   11 o  479.728   21.122  2898.26  253.033  3312.63  360.706  2496.80  355.048  510.361   28.415  441.601   32.423 68.75983 43.11230 
1 1 1   -5  -11   12 o  291.664   22.240  1079.74  160.762   0.0000   0.0000  1079.74  160.762  ?   ?   291.664   22.240 0.000000 22.24005 
1 1 1   -5  -11   13 o  317.533   16.230  1270.68  128.265  1363.83  183.796  1182.25  179.085  327.607   22.605  304.634   23.729 22.97266 32.77212 
1 1 1   -5  -11   14 o  259.487   14.561  848.702   93.973  903.684  135.461  797.692  130.475  266.588   20.505  250.239   21.076 16.34819 29.40504 
1 1 1   -5  -11   15 o  197.277   13.183  491.064   64.569  503.814   94.067  479.704   88.790  198.694   19.198  193.976   18.557 4.717743 26.70017 
1 1 1   -5  -11   16 o  243.009   14.441  746.320   87.240  741.427  125.875  750.844  121.020  240.561   21.169  242.375   20.178 -1.813431 29.24568 
1 1 1   -5  -11   17 o  180.336   19.644  418.301   87.032  418.301   87.032   0.0000   0.0000  180.336   19.644  ?   ?  0.000000 19.64398 
1 1 1   -5  -11   18 o   90.625   14.259  106.138   31.202   62.712   50.530  132.902   39.669   71.595   23.993  101.214   16.244 -29.61906 28.97465 
1 1 1   -5  -11   19 o  339.724   17.740  1472.97  149.973  1441.08  214.868  1503.27  209.426  331.855   26.140  339.712   24.860 -7.857300 36.07343 
1 1 1   -5  -11   20 o  200.831   13.905  512.449   69.305  481.079  102.740  538.644   93.883  192.145   21.798  204.567   18.581 -12.42230 28.64242 
1 1 1   -5  -11   21 o  239.614   20.335  742.730  120.526   0.0000   0.0000  742.730  120.526  ?   ?   239.614   20.335 0.000000 20.33467 
1 1 1   -5  -11   22 o  361.447   26.570  1724.94  238.137   0.0000   0.0000  1724.94  238.137  ?   ?   361.447   26.570 0.000000 26.56968 
1 1 1   -5  -11   23 o  169.674   21.956  378.346   90.849  378.346   90.849   0.0000   0.0000  169.674   21.956  ?   ?  0.000000 21.95646 
1 1 1   -5  -11   24 o  334.314   17.796  1435.22  148.038  1434.40  215.196  1435.97  203.970  328.831   26.430  330.073   24.930 -1.242157 36.33232 
1 1 1   -5  -11   25 o  146.070   24.300  286.204   85.523  286.204   85.523   0.0000   0.0000  146.070   24.300  ?   ?  0.000000 24.29976 
1 1 1   -5  -11   26 o   81.761   16.779   88.575   33.110   57.999   67.397   98.302   38.014   73.211   27.376   85.885   18.285 -12.67415 32.92115 
1 1 1   -5  -11   27 o  106.542   15.313  147.820   39.571  167.122   79.401  141.441   45.644  109.225   28.727  103.288   18.369 5.937004 34.09796 
1 1 1   -5  -11   28 f  106.378   15.444  147.914   39.826  163.915   80.156  142.669   45.892  107.523   29.130  103.507   18.430 4.015747 34.47063 
1 1 1   -5  -11   29 o   47.740   17.499   24.587   27.292   0.0000   0.0000   24.587   27.292  ?   ?    47.740   17.499 0.000000 17.49935 
1 1 1   -5  -11   30 o  135.395   14.814  239.663   49.270  266.135   97.116  230.488   57.175  134.535   29.701  131.430   17.885 3.105179 34.67059 
1 1 1   -5  -11   31 o   43.744   16.002   21.130   22.803 -29.1261   78.717   25.734   23.825   55.661   25.422   46.565   16.440 9.096672 30.27435 
1 1 1   -5  -11   32 o   51.282   17.123   34.054   25.736 -36.8282   76.433   43.118   27.332   52.933   24.491   56.455   17.540 -3.521965 30.12400 
1 1 1   -5  -11   33 o  173.308   30.267  478.064  126.222  478.064  126.222   0.0000   0.0000  173.308   30.267  ?   ?  0.000000 30.26665 
1 1 1   -5  -11   34 o   47.033   16.427   28.143   23.744   56.185   87.012   25.887   24.681   69.806   29.367   46.126   16.682 23.68023 33.77444 
1 1 1   -5  -11   35 o   46.932   16.629   28.099   24.397   7.5992   92.134   29.645   25.300   61.288   27.801   47.964   16.941 13.32345 32.55631 
1 1 1   -5  -11   36 o   92.340   19.011  125.666   42.376  514.551  317.003  118.590   42.760  103.148   48.432   89.103   19.737 14.04566 52.29951 
1 1 1   -5  -11   37 o  115.711   18.387  197.233   51.353  301.093  299.407  194.085   52.125   85.834   41.975  114.269   18.930 -28.43533 46.04642 
1 1 1   -5  -11   38 o   38.631   15.635   13.788   23.414 -165.0865  310.925   14.808   23.480   66.121   33.686   39.104   15.717 27.01742 37.17245 
1 1 1   -5  -10    1 o  493.140   22.728  3073.14  279.885  3112.27  396.140  3034.14  395.494  492.258   32.407  485.855   32.789 6.402893 46.10163 
1 1 1   -5  -10    2 o  450.339   21.088  2556.05  237.154  2539.94  335.641  2572.11  335.134  445.733   30.335  448.643   30.088 -2.910370 42.72550 
1 1 1   -5  -10    3 o  230.164   13.725  666.148   78.525  623.597  111.571  707.916  110.539  221.696   20.381  236.577   18.868 -14.88091 27.77377 
1 1 1   -5  -10    4 f  323.800   16.607  1318.78  133.834  1309.37  189.868  1328.07  188.676  321.396   23.827  323.761   23.497 -2.364777 33.46371 
1 1 1   -5  -10    5 o  625.732   27.966  4950.57  436.988  4869.75  618.187  5031.29  617.801  615.198   40.465  625.681   39.747 -10.48273 56.72102 
1 1 1   -5  -10    6 o  197.078   12.547  488.082   61.428  550.874   87.662  427.501   86.105  208.905   16.950  183.551   19.063 25.35443 25.50917 
1 1 1   -5  -10    7 o  361.992   17.759  1643.89  160.534  1694.91  227.693  1593.46  226.373  365.877   25.072  354.573   25.742 11.30420 35.93398 
1 1 1   -5  -10    8 o  376.326   26.415  1795.20  246.665  1795.20  246.665   0.0000   0.0000  376.326   26.415  ?   ?  0.000000 26.41513 
1 1 1   -5  -10    9 o  756.528   33.102  7265.54  625.358  7640.98  885.499  6891.97  883.284  768.529   46.357  728.360   48.846 40.16974 67.34138 
1 1 1   -5  -10   10 f  570.287   25.331  4102.19  360.741  4427.26  511.531  3780.57  508.810  588.799   34.946  542.914   37.765 45.88489 51.45310 
1 1 1   -5  -10   11 o  241.606   14.055  733.748   84.434  762.244  120.966  706.674  117.908  245.462   19.906  236.241   20.180 9.221100 28.34580 
1 1 1   -5  -10   12 o  159.421   12.203  320.065   48.211  364.756   70.847  281.521   65.794  169.631   16.952  148.623   18.102 21.00830 24.79983 
1 1 1   -5  -10   13 o  241.320   20.065  738.298  119.817   0.0000   0.0000  738.298  119.817  ?   ?   241.320   20.065 0.000000 20.06458 
1 1 1   -5  -10   14 o  156.775   12.664  310.101   49.156  306.235   72.606  313.372   66.790  154.745   19.202  156.900   17.336 -2.155457 25.86996 
1 1 1   -5  -10   15 o  504.321   23.496  3227.33  295.901  3143.52  419.720  3310.14  417.224  492.196   34.364  505.746   33.221 -13.55002 47.79650 
1 1 1   -5  -10   16 o  171.243   13.241  370.532   56.183  306.868   82.179  426.403   76.985  154.010   21.993  183.112   17.031 -29.10213 27.81606 
1 1 1   -5  -10   17 o  218.692   13.411  603.789   72.886  671.431  106.523  544.244   99.944  229.507   18.750  206.257   19.642 23.24985 27.15442 
1 1 1   -5  -10   18 o  183.498   19.735  432.944   89.008  432.944   89.008   0.0000   0.0000  183.498   19.735  ?   ?  0.000000 19.73466 
1 1 1   -5  -10   19 o  261.906   15.048  869.921   98.007  876.181  141.821  864.198  135.594  260.592   21.999  259.112   21.140 1.480682 30.51015 
1 1 1   -5  -10   20 f  197.647   13.864  495.819   67.992  452.162  100.446  532.740   92.372  186.383   22.006  203.696   18.357 -17.31252 28.65690 
1 1 1   -5  -10   21 o  167.169   12.985  354.845   53.782  389.510   82.675  329.412   70.814  173.488   19.416  159.771   18.066 13.71719 26.52139 
1 1 1   -5  -10   22 o  273.272   21.900  969.081  148.195   0.0000   0.0000  969.081  148.195  ?   ?   273.272   21.900 0.000000 21.90040 
1 1 1   -5  -10   23 o   73.473   15.925   71.210   28.375   93.399   55.023   63.171   33.118   83.784   24.650   69.094   18.727 14.68944 30.95684 
1 1 1   -5  -10   24 o  127.067   13.863  206.858   43.276  206.007   72.848  207.322   53.797  123.739   24.443  126.271   17.534 -2.532242 30.08141 
1 1 1   -5  -10   25 o  132.025   14.061  223.443   45.646  221.425   78.081  224.490   56.261  127.962   25.331  131.398   17.587 -3.436020 30.83831 
1 1 1   -5  -10   26 o  188.724   23.385  471.272  107.847  471.272  107.847   0.0000   0.0000  188.724   23.385  ?   ?  0.000000 23.38473 
1 1 1   -5  -10   27 o  173.806   14.705  387.159   63.224  343.943  103.006  413.282   80.085  159.054   26.892  178.416   18.231 -19.36140 32.48950 
1 1 1   -5  -10   28 o  254.341   16.031  831.551  101.296  803.154  155.485  852.491  133.519  244.458   25.863  254.864   21.171 -10.40517 33.42279 
1 1 1   -5  -10   29 o   66.751   17.521   59.678   29.576   13.124   76.999   67.735   32.033   64.448   27.395   70.993   18.034 -6.544937 32.79771 
1 1 1   -5  -10   30 o  167.152   18.153  368.341   74.553   0.0000   0.0000  368.341   74.553  ?   ?   167.152   18.153 0.000000 18.15263 
1 1 1   -5  -10   31 o   52.927   16.951   36.208   25.350  -4.4197   72.165   41.926   27.075   58.101   25.591   56.387   17.447 1.713951 30.97247 
1 1 1   -5  -10   32 o   72.243   17.173   71.589   30.526   43.560   79.785   76.395   33.040   69.517   28.586   74.430   17.978 -4.913200 33.76955 
1 1 1   -5  -10   33 o   66.587   18.117   61.849   30.927 -26.8109   85.536   75.183   33.171   57.426   26.329   73.313   18.203 -15.88711 32.00866 
1 1 1   -5  -10   34 o   74.481   30.331   70.771   88.734   70.771   88.734   0.0000   0.0000   74.481   30.331  ?   ?  0.000000 30.33084 
1 1 1   -5  -10   35 o   34.898   14.392   6.8584   20.298   44.907   86.363   4.6337   20.883   67.529   28.866   34.338   14.413 33.19077 32.26395 
1 1 1   -5  -10   36 o   71.737   18.096   74.570   32.414   14.148   99.505   81.743   34.285   63.805   28.923   74.985   18.438 -11.18011 34.30028 
1 1 1   -5  -10   37 o   57.836   18.834   48.437   31.205   0.0000   0.0000   48.437   31.205  ?   ?    57.836   18.834 0.000000 18.83376 
1 1 1   -5  -10   38 o   29.672   13.226  -4.4101   19.853 -162.3414  300.384  -3.7172   19.897   69.359   35.101   29.944   13.300 39.41500 37.53596 
1 1 1   -5   -9    1 o  205.393   12.863  531.265   65.644  534.017   93.082  528.542   92.589  205.025   18.376  203.962   18.376 1.062866 25.98736 
1 1 1   -5   -9    2 o  449.981   21.090  2557.56  236.988  2580.73  335.449  2534.47  334.856  448.407   30.132  444.260   30.365 4.147278 42.77876 
1 1 1   -5   -9    3 o  189.131   12.556  450.212   58.962  403.391   83.581  496.597   83.191  177.996   19.102  198.056   16.985 -20.05945 25.56140 
1 1 1   -5   -9    4 o  173.709   12.244  379.767   52.771  349.325   75.003  409.610   74.262  165.691   18.440  179.850   16.727 -14.15891 24.89598 
1 1 1   -5   -9    5 o  390.008   27.013  1932.81  261.461   0.0000   0.0000  1932.81  261.461  ?   ?   390.008   27.013 0.000000 27.01260 
1 1 1   -5   -9    6 o  423.498   20.100  2254.25  212.566  2149.21  300.800  2359.03  300.429  410.937   29.509  431.003   28.066 -20.06537 40.72467 
1 1 1   -5   -9    7 o  265.589   14.652  886.306   96.797  910.881  137.440  862.119  136.348  268.436   20.662  261.039   21.097 7.396576 29.52972 
1 1 1   -5   -9    8 o  625.169   27.714  4935.75  432.654  5194.93  612.730  4678.03  611.003  636.869   38.711  603.395   40.790 33.47382 56.23453 
1 1 1   -5   -9    9 o  549.117   24.725  3798.74  339.044  3994.90  480.233  3603.80  478.731  559.746   34.525  530.943   36.325 28.80389 50.11503 
1 1 1   -5   -9   10 o  820.119   52.438  8773.85  1068.31  8773.85  1068.31   0.0000   0.0000  820.119   52.438  ?   ?  0.000000 52.43816 
1 1 1   -5   -9   11 o  1128.85   49.104 16507.95  1384.22 17593.85  1959.94 15427.27  1955.23  1143.88   68.936  1065.22   73.962 78.66296 101.1066 
1 1 1   -5   -9   12 o  524.646   23.745  3469.05  311.091  3645.79  441.173  3294.26  438.735  534.502   33.217  507.428   34.835 27.07306 48.13371 
1 1 1   -5   -9   13 o  336.160   16.047  1417.63  134.709  1692.48  192.802  1155.48  188.293  366.070   21.181  301.429   25.247 64.64136 32.95583 
1 1 1   -5   -9   14 f  590.051   26.435  4410.91  389.507  4581.67  552.810  4242.55  548.903  596.034   37.329  572.841   38.597 23.19226 53.69526 
1 1 1   -5   -9   15 o  506.186   23.401  3242.48  295.795  3256.35  420.214  3228.86  416.445  502.662   33.671  500.603   33.506 2.058868 47.50209 
1 1 1   -5   -9   16 o   76.114   14.456   75.161   26.472  110.601   44.300   55.477   33.015   91.856   19.889   65.643   19.032 26.21289 27.52813 
1 1 1   -5   -9   17 o  309.422   16.348  1209.72  125.868  1232.20  180.258  1188.33  175.832  310.385   23.429  304.825   23.275 5.559448 33.02508 
1 1 1   -5   -9   18 o  225.588   14.088  643.008   78.967  633.766  114.682  651.341  108.895  222.388   20.896  225.845   19.500 -3.457169 28.58080 
1 1 1   -5   -9   19 o  254.018   21.791  829.604  136.886  829.604  136.886   0.0000   0.0000  254.018   21.791  ?   ?  0.000000 21.79059 
1 1 1   -5   -9   20 o  177.862   13.691  401.328   60.341  325.803   89.185  465.086   81.943  157.648   23.361  190.672   17.402 -33.02396 29.13026 
1 1 1   -5   -9   21 o  195.825   18.614  492.935   89.929   0.0000   0.0000  492.935   89.929  ?   ?   195.825   18.614 0.000000 18.61381 
1 1 1   -5   -9   22 o  282.405   23.524  1037.76  164.390  1037.76  164.390   0.0000   0.0000  282.405   23.524  ?   ?  0.000000 23.52450 
1 1 1   -5   -9   23 f  117.991   14.275  178.704   41.205  134.235   69.414  202.900   51.202   99.530   27.168  125.222   16.798 -25.69186 31.94125 
1 1 1   -5   -9   24 o  386.106   19.478  1916.54  187.201  1930.57  269.719  1903.50  260.030  381.341   28.530  379.334   27.641 2.006989 39.72382 
1 1 1   -5   -9   25 o  197.595   14.132  497.179   69.271  498.348  106.829  496.332   90.992  195.052   22.335  195.969   18.825 -0.9162140 29.21054 
1 1 1   -5   -9   26 o  205.910   13.223  538.770   67.630  709.536  108.957  431.741   86.258  234.475   18.766  182.402   19.227 52.07248 26.86681 
1 1 1   -5   -9   27 o   93.984   15.458  115.255   35.017  124.098   71.234  112.436   40.211   95.482   28.035   92.145   18.121 3.337105 33.38172 
1 1 1   -5   -9   28 o   93.469   15.577  114.245   35.079  111.850   69.642  115.060   40.606   90.973   27.954   93.153   18.108 -2.180199 33.30645 
1 1 1   -5   -9   29 o  142.469   14.473  261.235   50.777  231.893   88.681  275.546   61.934  129.039   28.300  145.423   17.400 -16.38373 33.22111 
1 1 1   -5   -9   30 o   47.120   16.567   25.576   24.172   21.034   70.692   26.177   25.722   63.966   26.659   48.033   17.069 15.93225 31.65535 
1 1 1   -5   -9   31 o  177.550   15.598  409.822   68.457  291.447  112.599  479.234   86.222  140.322   32.733  190.712   18.330 -50.39059 37.51629 
1 1 1   -5   -9   32 o  111.359   16.188  164.599   43.697   80.044   90.185  190.539   49.952   81.202   31.358  119.511   17.236 -38.30971 35.78270 
1 1 1   -5   -9   33 o  115.592   15.687  177.963   44.112  132.821   90.750  191.929   50.476   93.461   32.144  119.262   17.466 -25.80112 36.58273 
1 1 1   -5   -9   34 o  161.870   15.849  350.262   63.242  283.759  117.188  377.587   75.119  129.255   35.307  166.270   18.400 -37.01492 39.81440 
1 1 1   -5   -9   35 o   73.763   30.576   65.279   92.272   65.279   92.272   0.0000   0.0000   73.763   30.576  ?   ?  0.000000 30.57582 
1 1 1   -5   -9   36 o   72.750   17.715   75.440   31.884   75.976   99.938   75.380   33.642   75.447   31.592   72.382   18.532 3.064934 36.62668 
1 1 1   -5   -9   37 o   49.043   17.054   31.587   25.579  -9.8938  103.970   34.259   26.390   61.538   28.505   50.592   17.337 10.94581 33.36322 
1 1 1   -5   -9   38 f   37.994   15.241   12.374   22.032   0.0000   0.0000   12.374   22.032  ?   ?    37.994   15.241 0.000000 15.24070 
1 1 1   -5   -9   39 o   65.588   19.538   66.072   34.394 -426.2784  341.324   71.123   34.570   65.608   33.578   68.065   19.397 -2.456573 38.77779 
1 1 1   -5   -8    1 o  673.849   30.195  5833.37  508.095  6080.16  719.071  5587.29  718.040  677.387   42.728  647.518   44.680 29.86841 61.82228 
1 1 1   -5   -8    2 o  207.336   12.913  541.526   66.524  548.699   94.363  534.439   93.798  207.779   18.376  205.011   18.522 2.767380 26.09082 
1 1 1   -5   -8    3 o  351.828   17.492  1558.80  153.677  1507.28  217.406  1610.25  217.258  343.427   25.533  355.298   24.639 -11.87146 35.48271 
1 1 1   -5   -8    4 f  352.670   17.476  1564.73  153.909  1589.65  217.982  1539.95  217.340  353.276   24.868  347.588   25.211 5.688080 35.41171 
1 1 1   -5   -8    5 o  251.409   14.265  795.157   89.188  766.271  126.392  823.807  125.873  245.739   20.792  255.021   19.924 -9.282318 28.79649 
1 1 1   -5   -8    6 o  430.934   29.234  2365.66  312.734   0.0000   0.0000  2365.66  312.734  ?   ?   430.934   29.234 0.000000 29.23418 
1 1 1   -5   -8    7 o  642.851   28.641  5230.00  459.776  5285.33  650.636  5174.82  649.807  640.615   40.885  633.662   41.291 6.952576 58.10776 
1 1 1   -5   -8    8 f  398.551   19.176  1994.52  190.853  1953.52  270.254  2035.31  269.562  392.279   27.768  400.598   27.106 -8.318970 38.80438 
1 1 1   -5   -8    9 o  380.080   18.350  1812.67  174.164  1899.35  247.096  1727.08  245.522  387.320   25.693  369.022   26.827 18.29761 37.14588 
1 1 1   -5   -8   10 o  707.986   31.154  6346.56  550.803  6597.43  779.806  6096.78  778.102  715.770   43.839  687.122   45.607 28.64862 63.25987 
1 1 1   -5   -8   11 o  224.318   19.675  636.612  109.101  636.612  109.101   0.0000   0.0000  224.318   19.675  ?   ?  0.000000 19.67529 
1 1 1   -5   -8   12 o  138.485   11.524  241.595   39.491  362.288   58.346  139.556   53.648  169.525   13.905  103.471   21.466 66.05349 25.57624 
1 1 1   -5   -8   13 o  780.426   34.380  7752.11  670.017  7810.05  948.384  7694.38  946.713  774.226   49.310  768.254   49.612 5.971313 69.94877 
1 1 1   -5   -8   14 o  393.484   18.812  1945.61  184.842  2064.00  262.951  1829.97  259.890  403.240   26.256  379.250   27.632 23.99005 38.11720 
1 1 1   -5   -8   15 o  319.154   15.905  1278.53  126.763  1453.20  181.607  1112.58  177.021  338.843   21.575  295.754   24.180 43.08875 32.40608 
1 1 1   -5   -8   16 o  262.853   21.044  877.481  136.970   0.0000   0.0000  877.481  136.970  ?   ?   262.853   21.044 0.000000 21.04354 
1 1 1   -5   -8   17 o  323.445   16.833  1320.52  135.491  1326.28  193.569  1314.98  189.717  322.303   24.228  321.034   23.835 1.268585 33.98645 
1 1 1   -5   -8   18 o  138.693   12.253  243.278   42.001  311.653   64.770  193.664   55.173  156.341   16.857  122.467   18.628 33.87422 25.12294 
1 1 1   -5   -8   19 f  437.910   21.132  2438.42  231.082  2366.53  328.730  2508.64  324.903  425.941   31.121  439.378   29.788 -13.43719 43.07950 
1 1 1   -5   -8   20 o  193.158   20.264  479.910   96.289  479.910   96.289   0.0000   0.0000  193.158   20.264  ?   ?  0.000000 20.26440 
1 1 1   -5   -8   21 o  323.425   16.913  1329.93  136.127  1374.21  196.137  1288.78  189.082  325.728   24.288  315.435   24.189 10.29233 34.27798 
1 1 1   -5   -8   22 f  196.951   13.334  491.654   65.191  544.584   98.233  449.996   87.149  205.701   19.351  186.952   18.928 18.74913 27.06912 
1 1 1   -5   -8   23 o  159.128   13.383  321.967   52.685  320.156   82.024  323.238   68.739  156.484   21.563  158.398   17.680 -1.913834 27.88433 
1 1 1   -5   -8   24 o  377.859   18.783  1825.19  177.230  1886.18  255.400  1768.53  246.139  378.495   27.203  366.530   27.084 11.96454 38.38654 
1 1 1   -5   -8   25 o  116.360   17.160  176.015   48.367   0.0000   0.0000  176.015   48.367  ?   ?   116.360   17.160 0.000000 17.16044 
1 1 1   -5   -8   26 o  174.655   13.325  387.997   57.676  434.431   91.114  356.952   74.503  182.758   20.308  166.131   18.260 16.62775 27.30992 
1 1 1   -5   -8   27 o   79.261   16.187   82.810   30.956   70.915   63.399   86.533   35.472   76.701   26.839   80.714   18.051 -4.013130 32.34463 
1 1 1   -5   -8   28 o   93.571   15.136  114.053   34.160  132.407   68.759  108.038   39.362   98.407   27.113   90.305   18.085 8.102112 32.59143 
1 1 1   -5   -8   29 o   87.804   28.621  101.789   72.060  101.789   72.060   0.0000   0.0000   87.804   28.621  ?   ?  0.000000 28.62148 
1 1 1   -5   -8   30 o  130.771   15.094  221.115   48.387  156.650   88.085  248.974   57.906  105.548   31.228  138.212   17.146 -32.66372 35.62495 
1 1 1   -5   -8   31 o  152.199   15.124  299.748   56.720  233.573  100.462  330.714   68.721  127.071   31.750  158.986   17.605 -31.91495 36.30422 
1 1 1   -5   -8   32 o  151.702   15.002  299.222   56.086  260.269  100.389  316.897   67.624  133.422   30.760  154.945   17.800 -21.52307 35.53935 
1 1 1   -5   -8   33 o  120.041   17.825  193.256   51.809   0.0000   0.0000  193.256   51.809  ?   ?   120.041   17.825 0.000000 17.82454 
1 1 1   -5   -8   34 o   80.553   17.233   88.944   33.617   79.421   89.298   90.517   36.287   79.300   31.041   80.861   18.386 -1.561600 36.07747 
1 1 1   -5   -8   35 o  102.233   16.614  142.398   40.959  107.147   96.538  150.137   45.232   84.902   32.532  104.303   18.018 -19.40092 37.18847 
1 1 1   -5   -8   36 o   72.308   30.590   55.911   95.258   55.911   95.258   0.0000   0.0000   72.308   30.590  ?   ?  0.000000 30.58967 
1 1 1   -5   -8   37 o   46.158   16.780   25.703   25.021 -24.8196   98.570   29.182   25.868   59.498   27.628   48.165   17.117 11.33351 32.50117 
1 1 1   -5   -8   38 o   54.269   17.494   41.095   26.966  111.751  112.589   36.795   27.775   81.036   33.698   52.110   17.787 28.92604 38.10385 
1 1 1   -5   -8   39 o   86.280   17.817  108.340   37.115  202.594  129.124   99.851   38.751   93.864   37.143   81.757   19.292 12.10753 41.85454 
1 1 1   -5   -8   40 o   58.309   19.727   51.057   34.161   0.0000   0.0000   51.057   34.161  ?   ?    58.309   19.727 0.000000 19.72666 
1 1 1   -5   -7    1 o  142.307   16.439  258.322   57.345  258.322   57.345   0.0000   0.0000  142.307   16.439  ?   ?  0.000000 16.43934 
1 1 1   -5   -7    2 o  425.138   20.196  2286.22  214.410  2281.16  303.301  2291.27  303.143  420.866   29.037  421.838   28.953 -0.9716492 41.00452 
1 1 1   -5   -7    3 o  217.253   13.211  594.690   71.333  588.034  101.038  601.304  100.723  214.992   19.016  217.482   18.729 -2.491013 26.69033 
1 1 1   -5   -7    4 o  539.343   24.591  3696.52  331.201  3827.24  468.793  3566.25  467.986  543.112   34.747  523.461   36.020 19.65167 50.04861 
1 1 1   -5   -7    5 o  253.628   14.234  809.909   89.787  851.168  127.388  769.177  126.572  259.036   19.844  245.974   20.801 13.06284 28.74861 
1 1 1   -5   -7    6 o  648.455   29.021  5348.20  469.937  5265.53  664.680  5430.82  664.501  635.805   42.102  646.186   41.398 -10.38025 59.04541 
1 1 1   -5   -7    7 o  152.455   16.791  295.213   62.865   0.0000   0.0000  295.213   62.865  ?   ?   152.455   16.791 0.000000 16.79117 
1 1 1   -5   -7    8 o  342.158   17.257  1472.64  146.972  1440.35  208.170  1504.74  207.531  337.024   24.911  344.647   24.268 -7.623169 34.77816 
1 1 1   -5   -7    9 o  343.758   17.343  1485.94  148.395  1422.33  210.142  1549.20  209.583  334.957   25.310  349.885   24.135 -14.92804 34.97262 
1 1 1   -5   -7   10 o  591.454   26.582  4412.62  392.608  4345.68  555.539  4479.42  554.925  582.564   38.403  591.743   37.750 -9.179382 53.85037 
1 1 1   -5   -7   11 o  263.062   14.203  869.044   92.956  1021.87  132.615  721.430  130.333  284.757   18.754  238.539   22.132 46.21844 29.00957 
1 1 1   -5   -7   12 o  404.291   27.925  2073.36  280.197  2073.36  280.197   0.0000   0.0000  404.291   27.925  ?   ?  0.000000 27.92470 
1 1 1   -5   -7   13 o  145.229   12.397  265.871   44.529  239.654   64.151  290.247   61.859  136.831   19.311  151.246   16.654 -14.41446 25.50065 
1 1 1   -5   -7   14 o  574.492   25.837  4165.60  370.659  4295.06  525.224  4037.16  523.163  579.194   36.500  561.057   37.557 18.13708 52.37197 
1 1 1   -5   -7   15 o  151.278   12.041  288.294   45.109  370.853   67.227  220.679   60.839  171.223   15.905  131.160   19.139 40.06224 24.88446 
1 1 1   -5   -7   16 o  231.983   13.701  676.925   79.020  758.121  114.210  602.362  109.445  244.792   18.828  217.770   20.362 27.02211 27.73248 
1 1 1   -5   -7   17 o  757.736   49.621  7634.02  933.755   0.0000   0.0000  7634.02  933.755  ?   ?   757.736   49.621 0.000000 49.62147 
1 1 1   -5   -7   18 o  202.770   13.628  518.471   68.603  489.891   99.673  544.197   94.566  195.794   20.700  206.928   18.496 -11.13345 27.75894 
1 1 1   -5   -7   19 o  408.703   19.797  2114.36  202.048  2126.99  287.711  2102.07  283.809  406.040   28.557  403.747   28.329 2.292908 40.22430 
1 1 1   -5   -7   20 o  320.723   23.942  1321.81  190.367   0.0000   0.0000  1321.81  190.367  ?   ?   320.723   23.942 0.000000 23.94158 
1 1 1   -5   -7   21 o  157.930   20.178  322.388   77.758  322.388   77.758   0.0000   0.0000  157.930   20.178  ?   ?  0.000000 20.17770 
1 1 1   -5   -7   22 o  208.924   13.637  552.819   70.755  578.767  105.044  531.270   95.728  212.087   20.073  203.421   19.067 8.666443 27.68526 
1 1 1   -5   -7   23 o  177.957   13.955  402.365   61.519  324.062   92.287  464.985   82.529  156.702   24.376  190.477   17.548 -33.77536 30.03539 
1 1 1   -5   -7   24 o  409.805   19.956  2149.84  204.224  2208.29  292.590  2094.31  285.184  409.054   28.828  398.283   28.870 10.77075 40.79849 
1 1 1   -5   -7   25 o   88.845   14.414  102.372   30.884  129.403   57.708   91.523   36.560   98.082   23.802   83.164   18.117 14.91856 29.91273 
1 1 1   -5   -7   26 o  170.628   17.882  375.347   75.062   0.0000   0.0000  375.347   75.062  ?   ?   170.628   17.882 0.000000 17.88209 
1 1 1   -5   -7   27 o  293.353   16.387  1098.62  119.563  1100.61  175.188  1096.88  163.582  289.789   24.437  290.201   22.755 -0.4114990 33.39096 
1 1 1   -5   -7   28 o  130.435   13.695  217.736   43.941  247.971   77.467  203.393   53.355  136.329   23.610  125.027   17.574 11.30135 29.43284 
1 1 1   -5   -7   29 o   86.581   15.692   98.266   32.678  141.323   70.614   86.532   36.863  101.550   27.270   80.557   18.687 20.99249 33.05807 
1 1 1   -5   -7   30 o  230.438   24.275  704.502  137.585  704.502  137.585   0.0000   0.0000  230.438   24.275  ?   ?  0.000000 24.27451 
1 1 1   -5   -7   31 o  217.393   14.704  605.749   79.355  665.547  127.672  568.104  101.299  223.781   23.183  208.374   19.701 15.40697 30.42348 
1 1 1   -5   -7   32 o   66.769   17.466   59.833   29.454   60.658   77.784   59.695   31.824   75.592   29.142   66.711   18.472 8.880707 34.50304 
1 1 1   -5   -7   33 o   65.753   17.940   58.430   30.276 -24.1918   80.407   72.080   32.682   58.090   26.196   72.852   18.056 -14.76242 31.81551 
1 1 1   -5   -7   34 f   97.887   17.962  129.901   42.289   0.0000   0.0000  129.901   42.289  ?   ?    97.887   17.962 0.000000 17.96202 
1 1 1   -5   -7   35 o  169.721   15.300  380.637   64.148  393.587  119.446  375.388   76.045  160.096   30.997  166.393   18.621 -6.297485 36.16031 
1 1 1   -5   -7   36 o  115.061   16.167  179.133   45.170  160.885  104.316  183.344   50.111   97.881   34.417  115.427   17.970 -17.54608 38.82585 
1 1 1   -5   -7   37 o   64.954   18.363   59.754   31.110  129.961  103.326   52.755   32.624   88.468   33.714   61.339   19.180 27.12894 38.78788 
1 1 1   -5   -7   38 o   79.382   17.801   89.694   34.417  164.993  111.437   81.754   36.186   94.232   35.209   75.066   19.221 19.16564 40.11358 
1 1 1   -5   -7   39 o   99.798   17.388  141.253   41.757  164.526  123.365  138.242   44.377   90.417   36.137   97.699   18.872 -7.281662 40.76824 
1 1 1   -5   -7   40 o   87.064   18.487  111.656   38.952   66.652  132.098  115.941   40.764   72.500   33.042   88.367   19.035 -15.86775 38.13266 
1 1 1   -5   -6    1 f  408.640   19.543  2108.08  199.430  2079.42  282.052  2136.73  282.020  402.547   28.237  408.236   27.830 -5.689026 39.64662 
1 1 1   -5   -6    2 o  364.647   25.870  1702.13  234.042  1702.13  234.042   0.0000   0.0000  364.647   25.870  ?   ?  0.000000 25.87019 
1 1 1   -5   -6    3 o  201.587   12.777  512.036   63.987  507.012   90.535  517.051   90.447  199.630   18.367  201.654   18.156 -2.024673 25.82613 
1 1 1   -5   -6    4 o  223.010   13.384  626.684   74.191  619.282  105.063  634.047  104.783  220.608   19.264  223.304   18.970 -2.696136 27.03679 
1 1 1   -5   -6    5 o  211.345   13.089  562.669   68.739  545.573   97.306  579.699   97.118  207.074   19.031  213.633   18.384 -6.559021 26.45970 
1 1 1   -5   -6    6 o  388.277   18.812  1900.04  182.405  1826.59  257.993  1973.44  257.927  377.758   27.539  393.096   26.429 -15.33783 38.16895 
1 1 1   -5   -6    7 o  505.815   23.261  3233.05  293.817  3220.18  415.765  3245.89  415.276  500.602   33.451  502.682   33.270 -2.079590 47.17939 
1 1 1   -5   -6    8 o  444.002   29.976  2513.31  330.412   0.0000   0.0000  2513.31  330.412  ?   ?   444.002   29.976 0.000000 29.97582 
1 1 1   -5   -6    9 o  511.869   23.420  3300.75  299.357  3334.07  423.770  3267.55  422.939  511.083   33.387  505.844   33.674 5.239227 47.42019 
1 1 1   -5   -6   10 o  415.892   19.839  2172.38  206.038  2067.89  291.597  2276.55  291.167  403.393   29.143  423.704   27.671 -20.31158 40.18694 
1 1 1   -5   -6   11 o  1112.57   48.735 15979.14  1353.99 15967.14  1915.26 15991.14  1914.41  1090.81   70.693  1091.73   70.600 -0.9219971 99.90869 
1 1 1   -5   -6   12 o  1175.90   51.499 17908.54  1512.25 18297.85  2139.71 17520.02  2137.57  1164.81   73.945  1137.73   75.668 27.07556 105.7993 
1 1 1   -5   -6   13 o  369.253   26.135  1727.42  239.435  1727.42  239.435   0.0000   0.0000  369.253   26.135  ?   ?  0.000000 26.13533 
1 1 1   -5   -6   14 o  281.810   15.310  997.993  107.338  1025.73  152.775  970.958  150.842  284.814   21.642  277.006   21.987 7.808075 30.85155 
1 1 1   -5   -6   15 o  672.073   29.661  5720.34  497.791  5997.03  705.322  5445.74  702.651  682.347   41.592  649.131   43.600 33.21539 60.25646 
1 1 1   -5   -6   16 o  492.895   22.835  3062.32  281.066  3043.13  398.601  3081.29  396.383  487.835   32.913  491.036   32.510 -3.201202 46.26147 
1 1 1   -5   -6   17 o  616.298   27.768  4820.74  427.356  4807.57  605.538  4833.81  603.214  608.968   40.043  610.787   39.765 -1.819275 56.43322 
1 1 1   -5   -6   18 o  257.774   20.896  844.164  133.353   0.0000   0.0000  844.164  133.353  ?   ?   257.774   20.896 0.000000 20.89617 
1 1 1   -5   -6   19 o  258.864   14.979  845.125   96.415  841.364  139.202  848.593  133.670  256.834   21.914  258.184   20.912 -1.350311 30.29092 
1 1 1   -5   -6   20 o  395.616   19.483  1980.94  192.477  1937.18  274.182  2023.47  270.267  387.278   28.552  396.335   27.477 -9.056824 39.62593 
1 1 1   -5   -6   21 o  413.680   19.616  2171.83  202.635  2322.98  289.553  2026.76  283.676  423.732   27.513  394.935   28.966 28.79721 39.95000 
1 1 1   -5   -6   22 o   96.269   13.635  119.029   31.862  112.431   52.284  122.927   40.187   91.943   22.867   97.133   17.197 -5.190742 28.61199 
1 1 1   -5   -6   23 o  206.843   13.965  542.306   71.711  504.751  105.158  574.951   98.045  197.429   21.687  211.772   18.733 -14.34279 28.65727 
1 1 1   -5   -6   24 o  282.166   15.593  1011.37  109.443  1052.88  159.134  974.114  150.758  285.321   22.518  274.521   22.181 10.79984 31.60755 
1 1 1   -5   -6   25 o   84.308   15.010   92.593   30.442   80.853   54.782   97.839   36.617   79.128   24.872   86.184   17.609 -7.055817 30.47447 
1 1 1   -5   -6   26 o  174.973   13.452  389.016   58.329  403.048   90.832  379.168   76.090  175.962   21.092  171.551   18.032 4.410599 27.74880 
1 1 1   -5   -6   27 o  188.747   18.448  459.183   85.840   0.0000   0.0000  459.183   85.840  ?   ?   188.747   18.448 0.000000 18.44787 
1 1 1   -5   -6   28 o  268.226   15.103  915.760  100.750  1021.86  150.950  830.527  135.296  280.611   21.710  252.861   21.635 27.75056 30.64987 
1 1 1   -5   -6   29 o  137.675   14.106  242.637   47.810  242.001   83.238  242.950   58.405  133.875   25.834  136.876   17.487 -3.000717 31.19639 
1 1 1   -5   -6   30 o  384.756   19.374  1909.54  185.549  1995.77  271.005  1833.45  254.577  386.514   28.274  370.892   27.686 15.62228 39.57203 
1 1 1   -5   -6   31 o  172.058   25.683  398.680  106.972  398.680  106.972   0.0000   0.0000  172.058   25.683  ?   ?  0.000000 25.68337 
1 1 1   -5   -6   32 o  145.685   14.521  273.384   52.124  305.061   97.830  260.826   61.595  148.688   27.356  141.167   17.873 7.520813 32.67707 
1 1 1   -5   -6   33 o   93.291   16.252  115.231   36.486  145.596   85.370  108.444   40.357  100.916   30.940   89.732   18.620 11.18423 36.11085 
1 1 1   -5   -6   34 o  196.950   15.537  505.116   75.795  469.161  128.349  524.368   93.920  180.675   29.463  198.603   19.176 -17.92744 35.15380 
1 1 1   -5   -6   35 o  206.901   19.807  577.841  101.088   0.0000   0.0000  577.841  101.088  ?   ?   206.901   19.807 0.000000 19.80737 
1 1 1   -5   -6   36 o   82.177   17.600   93.129   35.028   85.027   97.013   94.343   37.562   81.076   32.160   82.291   18.703 -1.215660 37.20272 
1 1 1   -5   -6   37 o   79.274   17.987   88.022   34.792   9.6523  101.810   98.384   37.021   66.800   29.850   83.811   18.209 -17.01141 34.96588 
1 1 1   -5   -6   38 o   76.123   18.261   82.286   34.266   49.296  107.539   86.014   36.151   72.959   31.704   77.598   18.844 -4.638824 36.88169 
1 1 1   -5   -6   39 o  103.541   17.404  150.239   43.402  157.371  123.212  149.229   46.375   91.596   36.271  102.254   18.856 -10.65817 40.87984 
1 1 1   -5   -6   40 o   48.652   17.182   30.850   26.024  107.133  124.049   27.338   26.617   79.973   34.401   47.072   17.277 32.90127 38.49561 
1 1 1   -5   -6   41 o   56.885   18.234   47.089   29.326  159.504  142.962   42.151   29.963   84.283   36.590   54.415   18.474 29.86749 40.98936 
1 1 1   -5   -5    1 f  544.652   24.767  3761.15  336.856  3873.80  476.605  3648.69  476.169  547.582   35.038  530.805   36.138 16.77777 50.33540 
1 1 1   -5   -5    2 o  161.642   11.754  329.172   47.120  335.286   66.769  323.107   66.506  162.417   16.700  159.362   16.973 3.055298 23.81164 
1 1 1   -5   -5    3 o  281.087   21.668  1005.90  150.923  1005.90  150.923   0.0000   0.0000  281.087   21.668  ?   ?  0.000000 21.66845 
1 1 1   -5   -5    4 o  152.673   11.635  293.942   44.026  307.440   62.425  280.584   62.101  155.439   16.326  148.280   17.084 7.158951 23.63062 
1 1 1   -5   -5    5 o  310.738   16.151  1218.70  124.898  1222.77  176.725  1214.64  176.542  309.559   23.026  308.506   23.083 1.053284 32.60414 
1 1 1   -5   -5    6 o  214.473   13.180  579.448   70.246  557.961   99.417  600.871   99.269  209.393   19.228  217.516   18.450 -8.123260 26.64752 
1 1 1   -5   -5    7 f  244.929   14.049  755.360   85.570  762.666  121.303  748.123  120.727  245.073   19.995  242.688   20.102 2.385254 28.35299 
1 1 1   -5   -5    8 o  698.379   31.099  6218.69  542.358  6124.24  767.049  6313.11  766.971  683.959   45.164  694.984   44.425 -11.02496 63.35144 
1 1 1   -5   -5    9 f  480.396   31.998  2947.29  381.662   0.0000   0.0000  2947.29  381.662  ?   ?   480.396   31.998 0.000000 31.99780 
1 1 1   -5   -5   10 o  519.181   23.737  3395.69  307.742  3345.59  435.391  3445.71  435.035  511.803   34.264  519.624   33.708 -7.820404 48.06541 
1 1 1   -5   -5   11 o  1275.23   56.211 21242.91  1790.04 21574.41  2532.38 20911.87  2530.61  1253.35   81.351  1231.99   82.736 21.35889 116.0312 
1 1 1   -5   -5   12 o  609.875   27.181  4692.16  413.966  4862.36  586.220  4522.86  584.655  616.639   38.258  594.127   39.634 22.51215 55.08699 
1 1 1   -5   -5   13 o  815.895   35.738  8459.02  728.144  8596.87  1030.49  8321.57  1029.01  813.811   50.964  800.144   51.777 13.66730 72.65120 
1 1 1   -5   -5   14 o  396.933   27.573  1997.72  271.615  1997.72  271.615   0.0000   0.0000  396.933   27.573  ?   ?  0.000000 27.57335 
1 1 1   -5   -5   15 o  515.469   23.653  3345.48  304.464  3300.20  431.143  3390.53  430.013  508.595   34.145  515.719   33.573 -7.123444 47.88553 
1 1 1   -5   -5   16 o  172.006   12.812  372.441   54.637  394.919   79.292  352.120   75.392  176.435   18.261  166.465   18.447 9.970047 25.95656 
1 1 1   -5   -5   17 f  718.389   31.740  6565.10  569.395  6769.64  806.691  6362.02  803.810  721.562   44.994  698.584   46.340 22.97839 64.58972 
1 1 1   -5   -5   18 o  242.050   14.082  737.185   84.750  796.031  122.844  683.740  117.073  250.655   19.787  232.075   20.409 18.57971 28.42589 
1 1 1   -5   -5   19 o  854.928   56.679  9925.01  1203.18   0.0000   0.0000  9925.01  1203.18  ?   ?   854.928   56.679 0.000000 56.67878 
1 1 1   -5   -5   20 o  427.243   20.340  2308.60  217.009  2391.45  308.793  2227.75  305.036  431.185   28.845  415.794   29.571 15.39105 41.30914 
1 1 1   -5   -5   21 o  369.297   18.275  1724.06  168.530  1768.71  240.649  1681.08  236.092  370.816   26.156  361.394   26.342 9.421936 37.12185 
1 1 1   -5   -5   22 o  341.146   17.350  1475.97  147.317  1537.03  211.295  1418.22  205.502  345.468   24.654  331.640   24.998 13.82819 35.11021 
1 1 1   -5   -5   23 o   59.616   15.443   46.578   23.174   63.520   42.645   39.478   27.606   70.555   21.907   56.102   17.660 14.45318 28.13852 
1 1 1   -5   -5   24 o  283.039   23.311  1036.63  163.299  1036.63  163.299   0.0000   0.0000  283.039   23.311  ?   ?  0.000000 23.31129 
1 1 1   -5   -5   25 o  146.601   13.064  273.135   47.326  283.180   74.003  266.185   61.559  147.424   20.670  143.707   17.516 3.717300 27.09367 
1 1 1   -5   -5   26 o  202.762   14.111  522.119   71.004  498.550  106.752  540.818   95.087  195.684   22.241  205.075   18.776 -9.390915 29.10683 
1 1 1   -5   -5   27 o  170.542   13.918  370.079   58.755  321.488   90.540  405.427   77.223  155.949   24.020  177.580   17.648 -21.63054 29.80651 
1 1 1   -5   -5   28 o  113.781   17.356  168.467   47.754   0.0000   0.0000  168.467   47.754  ?   ?   113.781   17.356 0.000000 17.35645 
1 1 1   -5   -5   29 o  119.243   14.172  182.495   41.374  182.749   74.016  182.380   49.897  116.062   26.163  118.412   17.393 -2.350548 31.41699 
1 1 1   -5   -5   30 o  113.804   14.757  166.981   40.950  169.218   77.031  166.100   48.347  111.100   27.825  112.726   17.763 -1.626152 33.01173 
1 1 1   -5   -5   31 o  167.889   14.694  360.780   60.983  331.263  103.381  376.532   75.522  156.177   27.513  170.519   18.008 -14.34134 32.88222 
1 1 1   -5   -5   32 o   53.410   24.027 -26.0370   67.161 -26.0370   67.161   0.0000   0.0000   53.410   24.027  ?   ?  0.000000 24.02664 
1 1 1   -5   -5   33 o  231.965   15.153  691.470   87.293  764.584  140.945  645.972  111.183  239.090   23.928  221.688   20.310 17.40186 31.38518 
1 1 1   -5   -5   34 o  222.229   15.177  638.195   83.721  702.046  138.248  601.217  105.206  227.003   24.791  213.042   20.010 13.96190 31.85887 
1 1 1   -5   -5   35 o  129.858   15.149  220.950   48.203  259.110  102.380  210.081   54.638  131.652   31.553  125.418   17.958 6.234184 36.30544 
1 1 1   -5   -5   36 o   57.717   18.072   44.395   28.953   0.0000   0.0000   44.395   28.953  ?   ?    57.717   18.072 0.000000 18.07220 
1 1 1   -5   -5   37 o  109.295   15.995  160.731   42.364  218.044  105.775  149.781   46.234  114.636   34.289  104.252   18.434 10.38361 38.93011 
1 1 1   -5   -5   38 o  120.950   16.327  198.442   48.054  185.570  117.071  201.050   52.698  102.351   36.410  120.745   18.030 -18.39375 40.62993 
1 1 1   -5   -5   39 o  104.840   16.901  151.791   42.743  155.459  116.103  151.216   45.971   93.537   35.716  103.743   18.420 -10.20580 40.18589 
1 1 1   -5   -5   40 o   88.749   36.885  145.620  134.789  145.620  134.789   0.0000   0.0000   88.749   36.885  ?   ?  0.000000 36.88501 
1 1 1   -5   -5   41 o   73.008   33.352   53.129  135.595   53.129  135.595   0.0000   0.0000   73.008   33.352  ?   ?  0.000000 33.35215 
1 1 1   -5   -4    1 o  381.827   15.063  1829.43  143.624  1853.89  248.917  1817.22  175.848  381.575   26.283  380.066   18.528 1.508972 32.15739 
1 1 1   -5   -4    2 o  747.435   26.870  7095.87  501.518  7114.50  868.684  7086.55  614.221  733.875   47.659  743.699   33.073 -9.823425 58.01070 
1 1 1   -5   -4    3 o  398.909   19.160  2006.01  190.865  2025.25  270.028  1986.81  269.819  397.974   27.337  394.077   27.592 3.897644 38.84113 
1 1 1   -5   -4    4 f  431.280   29.491  2391.25  315.713  2391.25  315.713   0.0000   0.0000  431.280   29.491  ?   ?  0.000000 29.49143 
1 1 1   -5   -4    5 o  619.387   27.954  4905.73  432.375  5021.06  611.725  4790.60  611.216  618.069   39.846  602.911   40.838 15.15881 57.05647 
1 1 1   -5   -4    6 o  249.454   14.176  784.305   87.944  773.766  124.468  794.812  124.275  246.536   20.401  249.963   20.079 -3.426788 28.62436 
1 1 1   -5   -4    7 o  250.850   14.241  792.840   88.839  762.396  125.693  823.230  125.582  244.721   20.764  254.552   19.915 -9.830338 28.77037 
1 1 1   -5   -4    8 o  418.122   19.924  2204.86  208.028  2167.40  294.273  2242.28  294.120  411.376   28.828  418.641   28.300 -7.265472 40.39744 
1 1 1   -5   -4    9 f  457.091   21.374  2633.67  243.971  2584.94  345.147  2682.33  344.908  449.520   30.935  458.161   30.318 -8.640717 43.31470 
1 1 1   -5   -4   10 o  355.572   25.263  1603.91  222.857   0.0000   0.0000  1603.91  222.857  ?   ?   355.572   25.263 0.000000 25.26296 
1 1 1   -5   -4   11 o  271.859   14.983  928.778  101.325  890.600  143.657  966.575  142.938  265.214   21.886  276.539   20.852 -11.32431 30.22948 
1 1 1   -5   -4   12 f  398.793   19.208  1996.15  191.281  1885.01  270.640  2107.08  270.386  385.349   28.323  407.889   26.693 -22.53943 38.91913 
1 1 1   -5   -4   13 o  320.572   16.572  1291.38  132.210  1283.03  187.541  1299.64  186.411  318.462   23.753  320.579   23.448 -2.117432 33.37712 
1 1 1   -5   -4   14 o  702.850   31.099  6249.85  545.834  6163.26  772.264  6336.29  771.589  691.717   44.952  701.727   44.259 -10.00964 63.08340 
1 1 1   -5   -4   15 o  244.797   20.594  757.952  124.724  757.952  124.724   0.0000   0.0000  244.797   20.594  ?   ?  0.000000 20.59439 
1 1 1   -5   -4   16 o  294.179   15.775  1087.70  115.466  1107.70  164.438  1068.24  162.174  295.899   22.421  290.532   22.529 5.367493 31.78433 
1 1 1   -5   -4   17 o  441.280   20.920  2449.19  230.528  2404.24  327.261  2493.45  324.784  434.459   30.355  442.709   29.548 -8.249725 42.36177 
1 1 1   -5   -4   18 o  267.639   14.665  900.763   97.637  990.725  140.725  817.261  135.578  279.859   20.274  253.803   21.597 26.05547 29.62175 
1 1 1   -5   -4   19 o  576.708   38.086  4307.82  545.399  4307.82  545.399   0.0000   0.0000  576.708   38.086  ?   ?  0.000000 38.08554 
1 1 1   -5   -4   20 o  331.600   24.309  1402.22  199.895   0.0000   0.0000  1402.22  199.895  ?   ?   331.600   24.309 0.000000 24.30942 
1 1 1   -5   -4   21 o  243.492   14.518  747.956   87.872  745.364  127.258  750.319  121.482  241.648   21.307  242.716   20.227 -1.068207 29.37902 
1 1 1   -5   -4   22 o  284.914   15.488  1025.95  109.782  1078.27  158.636  977.859  152.083  290.347   22.044  276.367   22.224 13.98050 31.30269 
1 1 1   -5   -4   23 o   81.145   14.679   85.511   28.650   87.901   50.126   84.351   34.914   81.858   23.367   80.073   17.910 1.784859 29.44127 
1 1 1   -5   -4   24 o  206.225   13.658  538.359   69.936  554.267  103.608  525.043   94.788  207.603   20.243  202.365   18.979 5.237427 27.74823 
1 1 1   -5   -4   25 o  208.951   21.086  563.820  108.519  563.820  108.519   0.0000   0.0000  208.951   21.086  ?   ?  0.000000 21.08585 
1 1 1   -5   -4   26 o  170.247   13.918  368.387   58.653  309.893   89.739  412.010   77.497  153.219   24.262  179.221   17.541 -26.00133 29.93876 
1 1 1   -5   -4   27 o  370.318   18.939  1754.67  174.554  1740.31  251.242  1768.06  242.694  363.749   27.871  367.456   26.629 -3.707520 38.54767 
1 1 1   -5   -4   28 o  203.425   14.121  525.753   71.289  523.036  108.218  527.835   94.753  200.484   21.976  202.445   18.964 -1.960983 29.02704 
1 1 1   -5   -4   29 o  121.090   17.412  190.376   51.137   0.0000   0.0000  190.376   51.137  ?   ?   121.090   17.412 0.000000 17.41225 
1 1 1   -5   -4   30 o  149.749   13.524  285.855   50.029  363.672   87.324  247.834   61.039  166.715   21.475  138.184   18.126 28.53076 28.10189 
1 1 1   -5   -4   31 o  174.132   13.881  386.477   59.860  456.004  101.331  349.209   74.188  186.475   22.197  164.184   18.412 22.29102 28.83907 
1 1 1   -5   -4   32 o  282.057   15.623  1016.60  109.609  1180.61  168.549  896.402  144.284  300.359   22.638  261.707   22.290 38.65201 31.76999 
1 1 1   -5   -4   33 o   82.087   30.049   79.422   80.436   79.422   80.436   0.0000   0.0000   82.087   30.049  ?   ?  0.000000 30.04929 
1 1 1   -5   -4   34 o  155.408   14.732  311.654   56.487  335.044  104.707  302.052   67.087  155.094   28.069  151.757   18.057 3.336243 33.37534 
1 1 1   -5   -4   35 o  138.705   14.440  249.646   49.283  381.633  103.195  210.650   56.092  165.883   25.746  125.808   18.398 40.07494 31.64443 
1 1 1   -5   -4   36 o  156.206   14.803  318.509   57.052  396.212  112.805  291.802   66.134  165.774   28.263  147.782   18.313 17.99229 33.67752 
1 1 1   -5   -4   37 o   79.085   18.472   86.548   35.820   0.0000   0.0000   86.548   35.820  ?   ?    79.085   18.472 0.000000 18.47173 
1 1 1   -5   -4   38 o  153.071   15.717  312.638   59.226  336.536  124.208  305.605   67.379  142.005   35.202  149.582   18.428 -7.576782 39.73384 
1 1 1   -5   -4   39 o  148.612   15.956  297.601   58.289  305.060  126.694  295.599   65.650  130.270   37.137  146.429   18.357 -16.15883 41.42618 
1 1 1   -5   -4   40 o   79.155   18.954   89.834   36.971   0.0000   0.0000   89.834   36.971  ?   ?    79.155   18.954 0.000000 18.95446 
1 1 1   -5   -4   41 o  110.143   41.001  275.414  150.846  275.414  150.846   0.0000   0.0000  110.143   41.001  ?   ?  0.000000 41.00142 
1 1 1   -5   -4   42 o   31.270   13.766  -2.6285   20.855   51.255  134.230  -3.9613   21.111   72.110   33.032   31.001   13.738 41.10915 35.77549 
1 1 1   -5   -3    1 f  235.500   9.5452  693.729   56.134  694.748   79.377  692.710   79.394  235.067   13.580  234.718   13.604 0.3485870 19.22191 
1 1 1   -5   -3    2 o  923.890   28.345 10839.58  653.960 10866.43  924.886 10812.75  924.792  917.141   40.383  914.797   40.483 2.343567 57.18085 
1 1 1   -5   -3    3 o  720.585   25.956  6585.69  467.066  6552.09  809.031  6602.49  572.021  705.691   46.164  718.669   31.874 -12.97797 56.09822 
1 1 1   -5   -3    4 o  1163.95   52.747 18142.84  1533.13 18049.77  2168.05 18235.93  2168.31  1114.87   78.373  1121.55   77.903 -6.676392 110.5043 
1 1 1   -5   -3    5 o  419.363   28.826  2258.62  300.045  2258.62  300.045   0.0000   0.0000  419.363   28.826  ?   ?  0.000000 28.82648 
1 1 1   -5   -3    6 o  251.202   14.213  795.283   88.793  791.261  125.628  799.298  125.516  249.353   20.353  250.654   20.225 -1.300888 28.69308 
1 1 1   -5   -3    7 o  511.654   23.579  3324.42  301.267  3331.41  426.157  3317.44  425.955  506.685   33.876  505.585   33.935 1.100433 47.94933 
1 1 1   -5   -3    8 f  590.880   26.760  4447.41  394.856  4458.34  558.560  4436.50  558.261  584.351   38.493  582.861   38.573 1.490540 54.49409 
1 1 1   -5   -3    9 o  436.600   20.584  2404.23  224.421  2452.08  317.673  2356.55  317.085  437.783   29.226  428.934   29.788 8.848511 41.73108 
1 1 1   -5   -3   10 o  440.991   20.744  2448.65  228.443  2352.97  323.051  2544.35  323.084  429.242   30.334  446.820   29.115 -17.57825 42.04504 
1 1 1   -5   -3   11 o  648.756   41.806  5425.78  673.671   0.0000   0.0000  5425.78  673.671  ?   ?   648.756   41.806 0.000000 41.80557 
1 1 1   -5   -3   12 o  551.910   25.015  3838.32  344.763  3775.22  487.786  3901.30  487.350  543.537   36.144  552.798   35.492 -9.260925 50.65588 
1 1 1   -5   -3   13 o  424.407   20.151  2261.56  213.562  2145.31  302.151  2377.62  301.894  411.000   29.638  433.154   28.061 -22.15366 40.81486 
1 1 1   -5   -3   14 o  823.569   36.071  8617.25  741.846  8709.04  1049.67  8525.64  1048.59  819.170   51.576  810.148   52.108 9.021301 73.31647 
1 1 1   -5   -3   15 o  138.880   12.346  243.220   42.371  233.672   61.201  252.009   58.719  135.233   18.616  140.773   17.051 -5.540253 25.24500 
1 1 1   -5   -3   16 o  356.997   25.572  1614.10  226.457  1614.10  226.457   0.0000   0.0000  356.997   25.572  ?   ?  0.000000 25.57153 
1 1 1   -5   -3   17 o  941.768   41.244 11364.34  969.958 11525.64  1372.64 11203.47  1370.82  934.364   59.134  920.464   59.966 13.89984 84.21786 
1 1 1   -5   -3   18 o  462.693   20.538  2692.58  237.307  3089.99  338.843  2310.02  332.454  493.483   27.607  425.375   31.522 68.10785 41.90195 
1 1 1   -5   -3   19 o  514.649   23.490  3344.18  301.883  3487.25  428.534  3203.23  425.337  521.737   33.062  499.467   34.310 22.27078 47.64739 
1 1 1   -5   -3   20 o  418.672   19.335  2208.40  202.146  2485.52  288.372  1940.66  283.448  441.758   26.259  389.164   29.383 52.59406 39.40717 
1 1 1   -5   -3   21 o  819.707   54.595  9140.70  1111.15   0.0000   0.0000  9140.70  1111.15  ?   ?   819.707   54.595 0.000000 54.59517 
1 1 1   -5   -3   22 o  232.482   14.088  681.893   81.401  714.134  118.630  653.206  111.901  236.654   20.269  226.322   20.006 10.33131 28.47939 
1 1 1   -5   -3   23 o  339.175   17.391  1457.76  146.802  1493.05  210.503  1424.35  204.832  340.672   24.917  332.737   24.830 7.935242 35.17674 
1 1 1   -5   -3   24 o  210.095   14.047  558.647   73.273  521.602  107.509  590.782  100.132  201.072   21.758  214.954   18.844 -13.88229 28.78425 
1 1 1   -5   -3   25 o  227.681   13.805  656.012   78.118  735.068  115.475  589.307  106.073  239.533   19.474  214.132   20.071 25.40050 27.96548 
1 1 1   -5   -3   26 o  134.071   21.886  235.894   70.746  235.894   70.746   0.0000   0.0000  134.071   21.886  ?   ?  0.000000 21.88606 
1 1 1   -5   -3   27 o  385.129   19.133  1892.05  184.011  1929.04  264.284  1857.24  256.359  383.541   27.782  376.511   27.455 7.029724 39.05917 
1 1 1   -5   -3   28 o  413.528   20.030  2188.11  206.844  2285.11  297.350  2097.16  287.922  416.440   28.770  398.617   29.126 17.82382 40.93949 
1 1 1   -5   -3   29 o  222.423   14.798  629.013   81.723  600.804  123.422  651.037  109.054  214.483   23.424  224.795   19.624 -10.31210 30.55798 
1 1 1   -5   -3   30 o  185.812   18.515  445.061   84.768   0.0000   0.0000  445.061   84.768  ?   ?   185.812   18.515 0.000000 18.51519 
1 1 1   -5   -3   31 o   68.946   17.470   62.954   30.115   11.811   67.314   75.753   33.673   61.579   25.864   75.542   18.090 -13.96309 31.56232 
1 1 1   -5   -3   32 o  273.134   15.208  950.860  103.320  1133.43  159.428  818.660  135.664  295.224   21.779  250.619   21.897 44.60510 30.88358 
1 1 1   -5   -3   33 o  223.063   14.606  635.272   80.910  750.836  131.845  565.459  102.475  239.214   22.329  208.405   19.934 30.80910 29.93261 
1 1 1   -5   -3   34 o   64.761   27.425   13.447   76.691   13.447   76.691   0.0000   0.0000   64.761   27.425  ?   ?  0.000000 27.42477 
1 1 1   -5   -3   35 o  256.240   15.911  848.155  101.308  931.201  162.352  795.198  129.647  262.241   25.098  244.798   21.424 17.44325 32.99853 
1 1 1   -5   -3   36 f   75.521   17.825   77.356   33.075   20.214   89.142   86.479   35.618   68.814   29.369   79.794   18.269 -10.97938 34.58709 
1 1 1   -5   -3   37 o  138.550   16.657  254.686   56.477   92.590  110.519  311.978   65.704   86.562   34.329  153.065   17.504 -66.50258 38.53392 
1 1 1   -5   -3   38 o  195.154   16.771  507.375   80.935  433.629  151.958  536.581   95.628  160.291   38.456  198.558   19.539 -38.26726 43.13511 
1 1 1   -5   -3   39 o   86.094   17.829  102.863   37.070   47.423  113.493  109.484   39.222   75.586   32.708   88.661   18.321 -13.07532 37.48925 
1 1 1   -5   -3   40 o   68.744   19.135   67.189   34.056 -102.3984  126.092   80.534   35.370   59.796   28.761   75.271   18.857 -15.47489 34.39199 
1 1 1   -5   -3   41 o  201.391   16.547  553.091   82.482  691.585  170.052  510.486   94.320  198.642   35.589  189.591   20.235 9.051071 40.93884 
1 1 1   -5   -3   42 o   97.240   39.277  208.410  147.424  208.410  147.424   0.0000   0.0000   97.240   39.277  ?   ?  0.000000 39.27703 
1 1 1   -5   -3   43 o   51.037   17.663   35.583   27.422   11.218  156.123   36.358   27.855   69.737   33.116   51.494   17.803 18.24300 37.59815 
1 1 1   -5   -2    1 o  361.784   12.069  1638.74  109.035  1638.94  154.201  1638.55  154.197  361.307   17.091  361.264   17.092 0.4248047E-01 24.17101 
1 1 1   -5   -2    2 o  375.998   12.819  1770.91  120.366  1781.46  170.234  1760.36  170.213  376.512   18.106  374.262   18.212 2.250427 25.68087 
1 1 1   -5   -2    3 o  297.306   10.944  1106.46   81.249  1101.40  114.880  1111.51  114.926  295.833   15.606  297.201   15.539 -1.368866 22.02295 
1 1 1   -5   -2    4 o  842.683   29.983  9056.45  630.952  8669.67  1092.28  9250.15  772.955  803.582   54.758  847.352   36.529 -43.77087 65.82424 
1 1 1   -5   -2    5 o  207.304   9.7365  537.938   50.404  637.456   87.725  488.894   61.584  224.671   15.735  197.067   12.580 27.60458 20.14577 
1 1 1   -5   -2    6 f  260.164   20.726  861.021  133.534  861.021  133.534   0.0000   0.0000  260.164   20.726  ?   ?  0.000000 20.72584 
1 1 1   -5   -2    7 o  296.756   15.680  1110.91  115.785  1084.58  163.745  1137.24  163.744  291.590   22.666  298.776   22.104 -7.185852 31.65917 
1 1 1   -5   -2    8 o  393.845   19.031  1957.58  187.173  1956.41  264.811  1958.75  264.593  390.641   27.318  390.890   27.277 -0.2492371 38.60493 
1 1 1   -5   -2    9 o  250.246   14.187  788.543   88.293  820.266  125.158  757.115  124.574  254.238   19.872  244.037   20.635 10.20093 28.64784 
1 1 1   -5   -2   10 o  191.478   12.648  461.365   60.137  456.440   85.332  466.224   84.765  189.653   18.243  191.747   17.910 -2.093781 25.56491 
1 1 1   -5   -2   11 o  415.930   19.803  2175.14  205.681  2179.22  291.119  2171.06  290.635  413.894   28.337  413.113   28.344 0.7810059 40.07957 
1 1 1   -5   -2   12 o  359.547   25.474  1638.20  227.236   0.0000   0.0000  1638.20  227.236  ?   ?   359.547   25.474 0.000000 25.47363 
1 1 1   -5   -2   13 o  517.192   23.652  3366.15  305.475  3334.83  432.253  3397.40  431.760  511.573   34.030  516.480   33.660 -4.906616 47.86520 
1 1 1   -5   -2   14 o  964.969   42.128 11903.82  1015.17 11977.64  1436.11 11830.08  1435.22  954.548   60.561  948.342   60.927 6.205261 85.90544 
1 1 1   -5   -2   15 o  216.580   13.523  589.374   72.771  569.598  103.351  608.818  102.481  212.135   19.736  219.497   18.880 -7.362503 27.31275 
1 1 1   -5   -2   16 o  220.920   13.686  613.272   75.133  611.227  107.164  615.248  105.367  219.799   19.735  220.587   19.323 -0.7880402 27.61938 
1 1 1   -5   -2   18 o  415.643   28.702  2195.29  296.079  2195.29  296.079   0.0000   0.0000  415.643   28.702  ?   ?  0.000000 28.70155 
1 1 1   -5   -2   19 o  809.493   35.745  8372.34  722.578  8368.70  1022.88  8375.97  1020.88  798.123   51.598  798.569   51.467 -0.4454956 72.87837 
1 1 1   -5   -2   20 o  776.436   34.430  7720.07  667.569  7801.54  945.333  7639.03  942.844  769.021   49.489  760.594   49.918 8.427917 70.29163 
1 1 1   -5   -2   21 o  447.900   20.905  2533.02  233.816  2672.85  332.736  2396.62  328.634  456.771   29.326  431.911   30.669 24.85919 42.43351 
1 1 1   -5   -2   22 f  454.723   30.995  2669.01  349.863   0.0000   0.0000  2669.01  349.863  ?   ?   454.723   30.995 0.000000 30.99549 
1 1 1   -5   -2   23 o  327.268   17.252  1355.51  140.491  1313.80  201.197  1395.21  196.263  319.681   25.413  330.002   23.980 -10.32162 34.94074 
1 1 1   -5   -2   24 o  232.895   14.234  685.597   82.387  705.746  120.351  667.828  113.021  234.726   20.746  228.490   20.010 6.235916 28.82324 
1 1 1   -5   -2   25 o  212.542   14.042  571.848   74.107  560.374  109.196  581.645  100.902  208.564   21.263  213.128   19.164 -4.563187 28.62480 
1 1 1   -5   -2   26 o  413.822   19.925  2183.14  205.904  2284.53  294.654  2086.37  287.849  418.080   28.391  399.019   29.089 19.06104 40.64735 
1 1 1   -5   -2   27 o  496.889   35.021  3308.18  431.764  3308.18  431.764   0.0000   0.0000  496.889   35.021  ?   ?  0.000000 35.02070 
1 1 1   -5   -2   28 o  409.315   20.089  2141.82  205.336  2175.68  294.919  2109.96  286.061  406.377   29.258  400.491   28.795 5.885956 41.05098 
1 1 1   -5   -2   29 o  164.769   13.999  345.433   57.053  317.093   90.215  364.322   73.652  154.992   24.091  168.306   17.794 -13.31390 29.94990 
1 1 1   -5   -2   30 o  132.419   14.317  224.286   46.590  201.786   79.421  236.092   57.529  122.175   26.771  135.145   17.454 -12.96996 31.95845 
1 1 1   -5   -2   31 o  245.130   14.925  764.211   90.925  855.157  141.332  699.988  118.767  256.576   22.280  232.613   20.661 23.96384 30.38521 
1 1 1   -5   -2   32 o  235.416   14.774  705.474   86.411  802.258  136.481  640.719  111.636  248.206   22.256  222.402   20.326 25.80403 30.14072 
1 1 1   -5   -2   33 o  259.550   16.064  861.340  103.607  870.834  160.431  854.548  135.701  256.592   25.370  256.220   21.405 0.3720703 33.19345 
1 1 1   -5   -2   34 o  102.248   15.667  136.280   38.728  193.916   86.711  121.918   43.285  117.875   29.522   95.775   18.769 22.10002 34.98326 
1 1 1   -5   -2   35 o  249.812   16.301  804.614  101.133  790.834  159.766  813.827  130.638  241.234   26.984  248.544   21.253 -7.310059 34.34800 
1 1 1   -5   -2   36 o  102.365   16.086  138.156   39.764  213.458   97.869  123.268   43.518  120.707   31.964   95.672   18.885 25.03491 37.12581 
1 1 1   -5   -2   37 o  117.269   15.502  180.942   44.284  239.193  103.559  167.906   48.989  125.839   32.668  111.864   18.160 13.97500 37.37636 
1 1 1   -5   -2   38 o  112.229   16.259  168.077   44.241  176.540  111.964  166.512   48.160  105.476   35.713  110.923   18.004 -5.447731 39.99425 
1 1 1   -5   -2   39 o  205.954   17.512  569.427   89.213  392.646  156.534  654.472  108.571  148.068   40.956  218.503   20.124 -70.43468 45.63270 
1 1 1   -5   -2   40 o   54.532   26.402 -121.9308  110.581 -121.9308  110.581   0.0000   0.0000   54.532   26.402  ?   ?  0.000000 26.40235 
1 1 1   -5   -2   41 o  204.613   16.497  566.361   83.578  673.432  166.195  530.117   96.694  200.132   34.500  194.257   20.230 5.874481 39.99399 
1 1 1   -5   -2   42 o  112.517   17.730  177.233   48.168  106.125  142.089  186.466   51.200   83.742   36.417  114.962   18.459 -31.21960 40.82793 
1 1 1   -5   -2   43 o   77.500   35.262   75.187  149.655   75.187  149.655   0.0000   0.0000   77.500   35.262  ?   ?  0.000000 35.26211 
1 1 1   -5   -1    1 o  454.995   14.340  2594.61  162.937  2551.11  230.383  2638.13  230.473  450.284   20.489  457.956   20.153 -7.672028 28.73918 
1 1 1   -5   -1    2 f  668.900   20.817  5632.70  347.728  5571.32  491.678  5694.12  491.846  662.434   29.723  669.812   29.405 -7.378052 41.81040 
1 1 1   -5   -1    3 o  289.728   10.727  1050.53   77.610  1053.92  109.754  1047.14  109.760  289.457   15.238  288.516   15.289 0.9419250 21.58556 
1 1 1   -5   -1    4 o  320.030   10.777  1282.12   86.124  1289.35  121.799  1274.89  121.795  320.519   15.217  318.707   15.303 1.811737 21.58156 
1 1 1   -5   -1    5 o  654.410   20.513  5403.32  335.214  5408.01  474.059  5398.63  474.070  651.250   29.150  650.673   29.176 0.5771484 41.24265 
1 1 1   -5   -1    6 o  235.853   10.918  696.869   64.303  674.073  111.280  708.297   78.788  230.321   19.532  237.212   13.355 -6.891068 23.66123 
1 1 1   -5   -1    7 o   85.995   11.083   94.195   23.245   98.922   33.247   89.675   32.513   87.361   15.822   83.009   16.267 4.351982 22.69259 
1 1 1   -5   -1    8 o  217.716   9.8102  593.566   53.336  405.268   91.747  689.684   65.550  177.771   21.078  234.579   11.190 -56.80801 23.86387 
1 1 1   -5   -1    9 o  247.620   14.131  772.361   87.019  786.941  123.222  757.854  122.907  248.874   19.996  244.128   20.346 4.746063 28.52712 
1 1 1   -5   -1   10 o  597.239   26.953  4531.66  401.986  4459.48  568.475  4603.84  568.512  585.778   39.087  595.609   38.428 -9.830200 54.81329 
1 1 1   -5   -1   11 f  904.438   39.904 10534.00  901.246 10465.97  1274.60 10602.01  1274.50  885.172   57.983  891.337   57.567 -6.164612 81.70723 
1 1 1   -5   -1   12 o  400.493   19.230  2014.73  192.323  2021.83  272.259  2007.67  271.712  399.043   27.490  397.629   27.534 1.413879 38.90728 
1 1 1   -5   -1   13 o  155.560   17.214  307.114   65.750   0.0000   0.0000  307.114   65.750  ?   ?   155.560   17.214 0.000000 17.21413 
1 1 1   -5   -1   14 o  382.609   18.613  1836.36  177.835  1833.36  251.899  1839.35  251.096  380.456   26.683  381.105   26.550 -0.6487427 37.64135 
1 1 1   -5   -1   15 o  380.274   18.537  1813.73  176.032  1823.66  249.403  1803.87  248.493  379.530   26.481  377.446   26.533 2.084076 37.48626 
1 1 1   -5   -1   16 o  709.705   31.330  6370.75  555.248  6448.02  785.832  6293.71  784.646  708.025   44.675  699.239   45.178 8.786743 63.53651 
1 1 1   -5   -1   17 o  516.069   23.632  3350.99  304.549  3380.23  431.410  3321.93  429.989  515.232   33.716  510.694   33.910 4.537415 47.81884 
1 1 1   -5   -1   18 o  446.214   30.285  2531.05  335.456  2531.05  335.456   0.0000   0.0000  446.214   30.285  ?   ?  0.000000 30.28452 
1 1 1   -5   -1   19 o  453.117   21.151  2582.68  239.324  2680.81  339.759  2486.04  337.167  459.053   29.800  441.723   30.758 17.33020 42.82642 
1 1 1   -5   -1   20 o  707.006   31.289  6360.64  552.424  6574.14  782.728  6148.76  779.771  710.882   44.313  686.511   45.747 24.37158 63.69002 
1 1 1   -5   -1   21 o  988.447   43.754 12740.76  1080.00 13234.32  1529.30 12249.71  1525.40  984.396   62.536  943.552   65.138 40.84412 90.29800 
1 1 1   -5   -1   22 o  354.697   17.971  1588.85  158.660  1587.32  226.435  1590.32  222.377  352.393   25.913  352.885   25.405 -0.4922485 36.28941 
1 1 1   -5   -1   23 o  349.042   17.993  1541.38  156.296  1514.54  224.321  1566.69  217.892  343.422   26.358  349.756   25.115 -6.334747 36.40742 
1 1 1   -5   -1   24 o  259.757   14.933  852.541   96.456  886.031  140.567  822.740  132.600  263.169   21.579  253.663   21.125 9.506226 30.19833 
1 1 1   -5   -1   25 f  233.181   14.318  687.672   82.971  708.921  121.571  669.145  113.519  235.100   20.926  228.599   20.090 6.500336 29.00866 
1 1 1   -5   -1   26 o  429.565   20.860  2354.10  223.762  2339.20  319.332  2368.48  313.641  422.187   30.494  425.348   29.715 -3.161194 42.57792 
1 1 1   -5   -1   27 o  319.943   17.156  1301.79  136.568  1285.80  197.287  1316.50  189.237  314.632   25.324  319.042   23.927 -4.410217 34.83973 
1 1 1   -5   -1   28 o  300.668   24.621  1174.35  183.242  1174.35  183.242   0.0000   0.0000  300.668   24.621  ?   ?  0.000000 24.62141 
1 1 1   -5   -1   29 o   90.912   15.076  107.248   33.027  129.609   62.913   98.742   38.803   98.206   25.447   86.471   18.528 11.73443 31.47705 
1 1 1   -5   -1   30 o  341.224   17.508  1484.72  148.684  1588.61  217.190  1393.09  203.975  349.241   25.070  326.881   25.182 22.36041 35.53407 
1 1 1   -5   -1   31 o  211.234   15.084  567.989   79.042  515.689  122.831  604.953  103.263  197.739   25.467  216.752   19.279 -19.01337 31.94153 
1 1 1   -5   -1   32 o  200.432   14.566  511.393   72.406  548.001  118.008  489.290   91.695  204.488   23.539  194.691   19.106 9.797089 30.31747 
1 1 1   -5   -1   33 o  422.457   20.399  2296.31  215.197  2488.74  316.926  2131.69  293.134  432.024   29.554  399.690   29.579 32.33368 41.81349 
1 1 1   -5   -1   34 o  334.182   18.522  1437.64  153.966  1394.71  229.248  1472.91  207.809  322.426   28.775  334.144   25.088 -11.71835 38.17578 
1 1 1   -5   -1   35 o   90.164   17.368  107.688   37.687   60.054   88.316  118.294   41.672   78.878   30.871   94.338   18.350 -15.46031 35.91302 
1 1 1   -5   -1   36 o  223.705   15.603  645.294   86.620  671.598  143.194  630.114  108.779  222.001   26.344  218.773   20.137 3.227936 33.15882 
1 1 1   -5   -1   37 o   59.990   27.077 -26.5056   86.133 -26.5056   86.133   0.0000   0.0000   59.990   27.077  ?   ?  0.000000 27.07710 
1 1 1   -5   -1   38 o   64.060   18.429   55.630   31.064 -66.5527   95.149   70.206   32.864   57.034   26.701   71.629   18.305 -14.59499 32.37302 
1 1 1   -5   -1   39 o  196.547   19.556  523.694   94.710   0.0000   0.0000  523.694   94.710  ?   ?   196.547   19.556 0.000000 19.55621 
1 1 1   -5   -1   40 o  197.355   16.663  520.918   81.350  483.402  151.787  536.037   96.358  170.028   36.815  197.588   19.795 -27.56038 41.79979 
1 1 1   -5   -1   41 o  103.662   17.387  147.771   43.415  174.210  142.525  145.067   45.581   99.170   39.093  102.056   18.569 -2.885277 43.27909 
1 1 1   -5   -1   42 o   65.636   18.925   61.307   32.725 -76.8103  132.991   70.209   33.763   63.067   30.121   70.089   18.871 -7.021835 35.54419 
1 1 1   -5   -1   43 o   63.068   18.504   57.081   31.044  196.606  148.723   50.725   31.743   96.804   39.327   59.798   18.950 37.00659 43.65405 
1 1 1   -5   -1   44 o   71.050   33.681   8.2165  160.122   8.2165  160.122   0.0000   0.0000   71.050   33.681  ?   ?  0.000000 33.68085 
1 1 1   -5    0    1 o  632.818   19.788  5036.54  312.710  4961.70  442.144  5111.44  442.333  625.739   28.296  635.246   27.884 -9.506775 39.72613 
1 1 1   -5    0    2 o  237.356   9.5930  704.660   56.860  718.758   80.424  690.571   80.400  239.134   13.523  234.350   13.799 4.784531 19.32094 
1 1 1   -5    0    3 o  312.517   11.262  1222.55   87.889  1205.55  124.257  1239.56  124.331  309.513   16.132  313.894   15.914 -4.380981 22.66042 
1 1 1   -5    0    4 o  682.672   21.144  5874.91  360.462  5718.89  509.590  6031.14  509.951  670.128   30.452  688.526   29.659 -18.39734 42.50844 
1 1 1   -5    0    5 o  531.472   16.877  3550.96  223.983  3489.08  316.656  3612.93  316.863  524.952   24.156  534.311   23.748 -9.359314 33.87419 
1 1 1   -5    0    6 o  213.197   9.1243  568.784   48.577  550.151   68.643  587.478   68.754  209.008   13.220  216.065   12.800 -7.056992 18.40101 
1 1 1   -5    0    7 o  144.351   11.306  262.733   40.429  296.872   57.558  229.486   56.800  152.927   15.276  133.885   17.400 19.04245 23.15474 
1 1 1   -5    0    8 o  309.072   16.097  1205.30  123.805  1161.88  175.162  1248.65  175.012  301.676   23.435  313.052   22.538 -11.37643 32.51425 
1 1 1   -5    0    9 o  284.250   12.190  1013.19   86.530  889.820  149.753  1075.03  106.021  263.996   22.944  292.534   14.513 -28.53766 27.14885 
1 1 1   -5    0   10 o  266.646   11.807  890.930   78.619  761.581  136.100  955.707   96.313  244.381   22.556  275.613   14.040 -31.23260 26.56910 
1 1 1   -5    0   11 o  197.773   12.811  492.105   62.931  484.991   89.181  499.161   88.815  195.527   18.484  198.446   18.122 -2.919144 25.88589 
1 1 1   -5    0   12 o  202.033   12.959  513.210   65.033  497.498   92.114  528.825   91.828  198.124   18.845  204.422   18.178 -6.298279 26.18371 
1 1 1   -5    0   13 o  845.802   37.099  9116.36  783.581  9002.66  1108.19  9230.04  1108.11  829.838   53.767  840.787   53.049 -10.94989 75.53194 
1 1 1   -5    0   14 o  462.614   30.932  2718.84  355.282   0.0000   0.0000  2718.84  355.282  ?   ?   462.614   30.932 0.000000 30.93239 
1 1 1   -5    0   15 o  820.422   35.940  8546.89  736.329  8581.12  1041.69  8512.71  1040.97  813.465   51.546  810.102   51.727 3.363037 73.02557 
1 1 1   -5    0   16 o  660.541   42.318  5595.85  694.354   0.0000   0.0000  5595.85  694.354  ?   ?   660.541   42.318 0.000000 42.31758 
1 1 1   -5    0   17 o  214.490   19.526  582.047  103.439  582.047  103.439   0.0000   0.0000  214.490   19.526  ?   ?  0.000000 19.52573 
1 1 1   -5    0   18 o  697.930   30.905  6164.25  538.624  6186.55  762.473  6142.03  760.988  693.050   44.288  690.501   44.368 2.548828 62.68910 
1 1 1   -5    0   19 o  335.480   24.686  1426.04  205.352  1426.04  205.352   0.0000   0.0000  335.480   24.686  ?   ?  0.000000 24.68552 
1 1 1   -5    0   20 o  731.865   32.347  6812.80  591.166  6984.29  837.172  6642.24  834.903  732.923   45.974  713.992   47.091 18.93121 65.81142 
1 1 1   -5    0   21 o  386.399   18.855  1878.24  181.935  1914.44  259.054  1843.01  255.572  387.714   26.923  380.335   27.086 7.379181 38.19037 
1 1 1   -5    0   22 o  275.797   15.176  958.077  104.119  1024.96  149.823  895.602  144.799  284.129   21.270  265.321   22.054 18.80872 30.64027 
1 1 1   -5    0   23 o  369.027   18.018  1716.91  166.041  1839.66  237.419  1599.40  232.298  379.462   25.198  353.263   26.527 26.19974 36.58713 
1 1 1   -5    0   24 o  141.001   13.718  252.220   47.690  181.352   73.143  304.626   62.898  116.955   25.742  154.586   16.551 -37.63108 30.60324 
1 1 1   -5    0   25 o  100.501   14.041  129.548   34.276  168.489   59.910  110.601   41.791  113.193   21.987   91.814   18.859 21.37862 28.96711 
1 1 1   -5    0   26 o  248.300   15.061  780.762   92.942  746.946  135.508  810.802  127.717  240.658   22.821  251.566   20.509 -10.90759 30.68254 
1 1 1   -5    0   27 o  303.005   16.204  1164.91  122.165  1233.47  177.278  1102.91  168.584  309.318   23.118  292.334   23.286 16.98401 32.81312 
1 1 1   -5    0   28 o  345.595   17.681  1520.30  152.076  1592.54  219.655  1453.79  210.758  350.301   25.280  334.549   25.418 15.75229 35.84865 
1 1 1   -5    0   29 o  339.677   26.401  1505.58  222.182  1505.58  222.182   0.0000   0.0000  339.677   26.401  ?   ?  0.000000 26.40077 
1 1 1   -5    0   30 o  120.583   14.785  186.525   43.588  128.951   74.517  216.469   53.740   98.151   28.632  129.514   17.029 -31.36344 33.31364 
1 1 1   -5    0   31 o  214.313   14.736  583.747   78.383  575.850  121.059  589.448  102.853  210.062   23.480  213.984   19.461 -3.921860 30.49622 
1 1 1   -5    0   32 o  278.632   16.372  989.362  113.419  978.006  170.016  998.467  152.247  273.306   25.195  277.620   22.145 -4.313690 33.54354 
1 1 1   -5    0   33 o  216.856   14.435  598.113   77.721  727.454  127.364  521.373   98.104  236.626   21.799  200.746   19.829 35.88068 29.46879 
1 1 1   -5    0   34 o  312.498   24.072  1279.23  186.405   0.0000   0.0000  1279.23  186.405  ?   ?   312.498   24.072 0.000000 24.07228 
1 1 1   -5    0   35 o  226.997   14.839  658.263   83.654  822.313  140.944  569.042  103.943  250.157   22.813  208.966   20.170 41.19119 30.45086 
1 1 1   -5    0   36 o  190.849   15.120  468.218   71.470  503.630  126.005  451.422   86.780  192.289   26.984  185.862   18.963 6.427658 32.98074 
1 1 1   -5    0   37 o  106.307   16.476  148.937   42.322  121.938   99.146  154.953   46.800   94.909   33.535  107.962   17.992 -13.05241 38.05644 
1 1 1   -5    0   38 o  233.166   29.196  773.518  166.268  773.518  166.268   0.0000   0.0000  233.166   29.196  ?   ?  0.000000 29.19574 
1 1 1   -5    0   39 o  123.975   17.096  205.281   51.518   75.066  117.797  236.078   57.287   84.099   34.676  132.776   17.720 -48.67675 38.94139 
1 1 1   -5    0   40 o  151.999   15.543  306.041   58.166  382.437  128.435  286.329   65.240  154.921   34.121  145.356   18.384 9.565125 38.75848 
1 1 1   -5    0   41 o   63.005   18.368   55.022   30.675 -10.8893  119.949   59.635   31.730   68.881   31.429   65.409   18.564 3.472549 36.50184 
1 1 1   -5    0   42 o  108.004   18.298  162.063   47.589   0.0000   0.0000  162.063   47.589  ?   ?   108.004   18.298 0.000000 18.29833 
1 1 1   -5    0   43 o   50.724   17.703   33.159   27.575 -59.8414  141.758   36.816   28.112   65.894   31.368   52.679   17.895 13.21469 36.11296 
1 1 1   -5    0   44 o  140.507   17.781  277.351   60.993  191.728  172.876  289.524   65.184   93.460   40.405  142.742   18.740 -49.28235 44.53913 
1 1 1   -5    1    1 o  161.543   8.2247  327.107   33.069  322.067   46.742  332.157   46.791  159.960   11.785  162.480   11.609 -2.519287 16.54203 
1 1 1   -5    1    2 o  407.332   13.652  2079.22  138.864  2059.48  196.358  2098.98  196.409  404.639   19.433  408.528   19.253 -3.889069 27.35478 
1 1 1   -5    1    3 o  550.146   17.474  3802.43  240.059  3843.56  339.542  3761.31  339.447  551.431   24.658  545.428   24.922 6.003784 35.05863 
1 1 1   -5    1    4 f  341.002   11.299  1455.93   96.213  1404.40  135.955  1507.62  136.177  334.416   16.280  346.553   15.736 -12.13654 22.64185 
1 1 1   -5    1    5 f  340.813   11.964  1455.24  101.818  1438.43  143.956  1472.07  144.030  337.810   17.121  342.203   16.855 -4.392761 24.02507 
1 1 1   -5    1    6 f  289.394   10.784  1048.88   77.929  1025.52  110.145  1072.30  110.272  285.272   15.520  291.781   15.187 -6.509125 21.71417 
1 1 1   -5    1    7 o  221.476   8.3920  613.700   46.414  590.105   65.576  637.386   65.701  216.595   12.173  225.190   11.724 -8.594208 16.90103 
1 1 1   -5    1    8 o  686.835   30.655  6057.59  525.775  5670.16  743.007  6446.17  744.111  652.096   45.921  698.262   42.882 -46.16547 62.83010 
1 1 1   -5    1    9 o  404.189   15.738  2054.71  158.848  1915.33  274.971  2124.53  194.605  386.000   28.732  410.320   18.992 -24.31967 34.44213 
1 1 1   -5    1   10 o  509.210   18.596  3267.47  236.470  2876.14  409.023  3463.93  289.812  471.115   35.018  523.283   22.178 -52.16846 41.45007 
1 1 1   -5    1   11 o  109.975   8.9389  152.277   24.336  181.095   42.776  138.485   29.592  119.260   14.673  104.531   11.528 14.72944 18.65989 
1 1 1   -5    1   12 f  566.712   20.588  4041.12  291.361  4291.89  505.413  3916.30  356.574  578.797   35.134  556.710   25.649 22.08716 43.50029 
1 1 1   -5    1   13 o  203.533   13.020  520.704   65.829  519.531   93.320  521.866   92.873  202.592   18.656  203.072   18.518 -0.4797821 26.28579 
1 1 1   -5    1   14 o  587.725   26.420  4354.98  387.761  4315.05  548.558  4394.86  548.196  580.862   38.028  586.370   37.637 -5.508118 53.50377 
1 1 1   -5    1   15 o  584.574   37.829  4364.13  549.260   0.0000   0.0000  4364.13  549.260  ?   ?   584.574   37.829 0.000000 37.82874 
1 1 1   -5    1   16 o  580.631   26.136  4246.39  378.961  4143.74  535.912  4349.06  535.950  569.660   37.889  583.975   36.942 -14.31470 52.91781 
1 1 1   -5    1   17 o  1081.42   47.218 15026.36  1275.12 15073.52  1803.72 14979.25  1802.86  1065.15   68.170  1061.62   68.369 3.535156 96.54764 
1 1 1   -5    1   18 o  410.979   19.678  2120.06  201.951  2158.46  286.156  2081.97  285.050  412.671   27.933  405.170   28.352 7.501068 39.80021 
1 1 1   -5    1   19 o  645.274   28.689  5262.10  462.288  5402.75  654.785  5122.32  652.768  648.765   40.621  631.199   41.648 17.56525 58.17748 
1 1 1   -5    1   20 o  625.523   40.598  5038.76  630.727  5038.76  630.727   0.0000   0.0000  625.523   40.598  ?   ?  0.000000 40.59775 
1 1 1   -5    1   21 o  299.284   16.123  1127.28  120.056  1114.01  171.312  1140.09  168.299  296.232   23.347  299.846   22.644 -3.613647 32.52443 
1 1 1   -5    1   22 o  241.721   14.231  735.473   85.525  786.803  123.652  688.396  118.419  249.088   20.049  232.783   20.583 16.30446 28.73384 
1 1 1   -5    1   23 o  486.611   22.693  2998.53  275.758  3021.77  391.701  2975.69  388.282  483.908   32.605  480.202   32.572 3.706207 46.08709 
1 1 1   -5    1   24 o  249.741   13.851  786.026   86.045  959.611  125.946  634.087  117.832  275.098   18.440  222.694   21.454 52.40463 28.28988 
1 1 1   -5    1   25 o  336.463   17.032  1432.88  142.638  1549.08  205.224  1324.29  198.390  347.691   23.779  320.934   24.951 26.75644 34.46712 
1 1 1   -5    1   26 o  514.616   35.086  3499.92  448.196   0.0000   0.0000  3499.92  448.196  ?   ?   514.616   35.086 0.000000 35.08586 
1 1 1   -5    1   27 o  160.048   13.851  325.164   54.814  272.045   83.955  364.631   72.366  143.756   24.250  168.789   17.419 -25.03244 29.85751 
1 1 1   -5    1   28 o  353.074   18.134  1587.08  159.350  1608.28  229.329  1567.29  221.579  351.746   26.299  347.510   25.716 4.236084 36.78225 
1 1 1   -5    1   29 o  217.326   13.566  597.906   73.258  740.085  112.511  493.267   96.522  240.424   18.892  195.667   20.037 44.75677 27.53867 
1 1 1   -5    1   30 f  482.323   34.347  3112.30  410.990  3112.30  410.990   0.0000   0.0000  482.323   34.347  ?   ?  0.000000 34.34708 
1 1 1   -5    1   31 o  134.087   14.367  229.721   47.357  214.934   81.229  237.335   58.288  126.423   26.574  135.557   17.637 -9.134216 31.89360 
1 1 1   -5    1   32 f  172.770   14.109  379.696   60.342  423.745  100.892  355.164   75.293  180.001   22.969  165.954   18.482 14.04716 29.48193 
1 1 1   -5    1   33 o  104.766   16.058  142.402   40.671  127.281   82.324  147.284   46.778   97.806   30.449  106.030   18.330 -8.224052 35.54084 
1 1 1   -5    1   34 o  192.672   14.929  473.500   71.266  482.538  119.657  468.532   88.718  190.673   25.792  190.455   18.904 0.2186279 31.97783 
1 1 1   -5    1   35 o  321.123   24.569  1355.95  195.522   0.0000   0.0000  1355.95  195.522  ?   ?   321.123   24.569 0.000000 24.56872 
1 1 1   -5    1   36 o   94.380   16.904  117.358   38.376  164.283   94.424  108.073   42.001  108.262   32.401   89.889   19.289 18.37241 37.70742 
1 1 1   -5    1   37 o  214.540   14.934  591.726   79.510  757.656  140.517  513.578   96.433  237.786   23.992  197.642   19.805 40.14331 31.11068 
1 1 1   -5    1   38 o  136.855   15.279  243.958   51.326  361.426  118.410  216.781   56.954  158.134   31.094  127.737   18.385 30.39738 36.12231 
1 1 1   -5    1   39 o  106.263   35.636  172.776  111.474  172.776  111.474   0.0000   0.0000  106.263   35.636  ?   ?  0.000000 35.63628 
1 1 1   -5    1   40 o  189.094   15.032  468.737   70.398  708.868  143.665  392.860   80.758  222.684   26.346  170.410   19.319 52.27469 32.66977 
1 1 1   -5    1   41 o  133.977   15.860  239.473   52.033  341.897  131.284  220.385   56.674  142.768   36.640  127.100   18.391 15.66795 40.99659 
1 1 1   -5    1   42 o  105.195   17.637  152.007   44.691   82.542  131.976  161.004   47.497   83.715   35.731  107.985   18.265 -24.26949 40.12910 
1 1 1   -5    1   43 o   45.686   17.056   23.339   26.138   0.0000   0.0000   23.339   26.138  ?   ?    45.686   17.056 0.000000 17.05553 
1 1 1   -5    1   44 o  129.632   17.549  233.816   55.349  177.759  162.903  241.132   58.850   94.375   39.968  130.944   18.514 -36.56893 44.04776 
1 1 1   -5    2    1 o  168.915   8.3184  356.771   35.088  348.331   49.620  365.213   49.624  166.343   12.026  170.378   11.735 -4.034729 16.80312 
1 1 1   -5    2    2 o  325.326   11.629  1325.23   94.471  1317.67  133.604  1332.79  133.601  323.505   16.594  325.375   16.497 -1.870636 23.39885 
1 1 1   -5    2    3 o  272.826   10.337  931.517   70.425  937.177   99.631  925.866   99.560  272.948   14.671  271.279   14.752 1.668335 20.80545 
1 1 1   -5    2    4 o  744.367   23.085  7002.47  429.109  7072.45  606.921  6932.52  606.782  743.598   32.685  736.028   33.013 7.570374 46.45596 
1 1 1   -5    2    5 o  299.639   10.997  1124.35   82.289  1088.48  116.277  1160.33  116.470  293.926   15.901  303.579   15.414 -9.653015 22.14582 
1 1 1   -5    2    6 o  250.723   9.8022  786.899   61.372  784.912   86.785  788.887   86.800  249.692   13.974  250.330   13.941 -0.6373901 19.73902 
1 1 1   -5    2    7 o  401.762   13.519  2026.04  135.635  2036.51  191.800  2015.56  191.833  401.744   19.118  399.650   19.222 2.093933 27.11057 
1 1 1   -5    2    8 o  553.358   25.200  3896.47  348.221  3732.29  492.278  4060.88  492.642  534.625   37.103  558.783   35.489 -24.15839 51.34297 
1 1 1   -5    2    9 o  115.520   11.185  168.790   31.862  135.720   45.201  201.452   44.921  102.234   18.381  125.801   14.569 -23.56710 23.45457 
1 1 1   -5    2   10 o  330.774   11.700  1371.19   96.647  1345.83  136.641  1396.57  136.717  326.636   16.809  333.222   16.430 -6.586182 23.50504 
1 1 1   -5    2   11 o  408.577   15.843  2096.47  161.643  2095.70  280.143  2096.85  197.911  405.153   27.858  408.021   19.424 -2.867889 33.96148 
1 1 1   -5    2   12 o  634.061   23.022  5070.39  364.529  4890.60  631.283  5160.33  446.490  614.666   41.368  638.128   28.019 -23.46204 49.96405 
1 1 1   -5    2   13 o  451.822   16.903  2560.47  190.717  2194.35  329.938  2744.19  233.720  414.659   32.114  467.326   20.027 -52.66626 37.84692 
1 1 1   -5    2   14 o  486.071   17.204  2962.39  208.824  3327.17  362.885  2781.79  255.339  512.504   28.467  470.434   21.735 42.06946 35.81577 
1 1 1   -5    2   15 o  205.118   12.719  528.460   64.829   0.0000   0.0000  528.460   64.829  ?   ?   205.118   12.719 0.000000 12.71924 
1 1 1   -5    2   16 o  680.609   43.545  5946.46  736.215   0.0000   0.0000  5946.46  736.215  ?   ?   680.609   43.545 0.000000 43.54506 
1 1 1   -5    2   17 o  763.436   33.565  7382.40  639.897  7338.97  905.109  7425.79  904.794  754.049   48.322  758.674   48.005 -4.624451 68.11382 
1 1 1   -5    2   18 o  195.033   13.157  478.179   63.706  480.794   90.338  475.591   89.852  194.884   18.796  193.815   18.801 1.069534 26.58528 
1 1 1   -5    2   19 o  296.449   15.900  1104.35  117.275  1098.11  166.779  1110.47  164.939  294.603   22.849  296.333   22.456 -1.729736 32.03654 
1 1 1   -5    2   20 o  1067.70   46.851 14726.42  1249.15 14972.15  1767.66 14481.30  1765.48  1056.21   67.370  1037.44   68.533 18.76465 96.10194 
1 1 1   -5    2   21 o  370.747   26.516  1746.77  243.870  1746.77  243.870   0.0000   0.0000  370.747   26.516  ?   ?  0.000000 26.51595 
1 1 1   -5    2   22 o  499.561   23.225  3152.27  289.730  3067.84  410.655  3235.96  408.831  488.591   33.866  502.302   32.773 -13.71182 47.12745 
1 1 1   -5    2   23 o  401.032   19.568  2027.75  195.964  2000.74  278.799  2054.14  275.501  395.269   28.435  400.789   27.697 -5.519714 39.69485 
1 1 1   -5    2   24 o  398.924   19.613  2010.25  195.385  1940.59  278.002  2078.25  274.661  388.354   28.873  402.508   27.490 -14.15387 39.86641 
1 1 1   -5    2   25 o  348.870   17.722  1540.68  153.890  1590.13  220.316  1493.56  215.045  352.010   25.231  341.028   25.435 10.98239 35.82611 
1 1 1   -5    2   26 o  417.743   20.500  2217.04  213.856  2134.06  304.862  2297.42  300.070  404.705   30.388  420.907   28.720 -16.20245 41.81217 
1 1 1   -5    2   27 o  546.529   37.257  3984.75  505.444   0.0000   0.0000  3984.75  505.444  ?   ?   546.529   37.257 0.000000 37.25696 
1 1 1   -5    2   28 o  590.655   27.307  4518.63  402.770  4564.30  572.492  4473.87  566.757  581.090   39.690  575.279   39.695 5.810730 56.13346 
1 1 1   -5    2   29 o   99.303   15.168  127.371   36.419   98.460   63.498  141.544   44.458   86.930   26.689  104.233   17.714 -17.30325 32.03289 
1 1 1   -5    2   30 o  347.361   17.631  1536.16  152.439  1654.99  221.386  1429.02  210.209  357.183   24.978  331.477   25.593 25.70581 35.76161 
1 1 1   -5    2   31 o   58.133   24.184   12.263   58.022   12.263   58.022   0.0000   0.0000   58.133   24.184  ?   ?  0.000000 24.18358 
1 1 1   -5    2   32 o  241.472   15.312  741.027   91.852  741.518  139.508  740.651  122.034  238.677   23.721  239.735   20.584 -1.057968 31.40676 
1 1 1   -5    2   33 o  177.981   14.148  402.910   62.362  480.733  105.496  361.108   77.317  192.037   22.421  167.224   18.844 24.81371 29.28798 
1 1 1   -5    2   34 o  128.557   15.168  212.288   47.755  232.946   92.788  204.844   55.699  130.586   29.188  125.457   18.319 5.128319 34.46035 
1 1 1   -5    2   35 o  346.912   18.484  1544.63  159.552  1590.07  237.785  1507.43  215.185  346.224   27.736  338.496   25.648 7.728363 37.77649 
1 1 1   -5    2   36 o  359.823   26.810  1723.00  239.171   0.0000   0.0000  1723.00  239.171  ?   ?   359.823   26.810 0.000000 26.80988 
1 1 1   -5    2   37 o   76.519   18.705   78.603   35.442   13.631   94.836   89.151   38.211   70.787   30.253   81.443   19.116 -10.65556 35.78669 
1 1 1   -5    2   38 o   89.112   18.985  107.094   40.954   0.0000   0.0000  107.094   40.954  ?   ?    89.112   18.985 0.000000 18.98501 
1 1 1   -5    2   39 o  124.528   16.476  204.467   49.977  143.795  111.813  219.614   55.868   99.999   35.582  128.544   17.889 -28.54462 39.82640 
1 1 1   -5    2   40 o   85.916   34.110   89.931  109.226   89.931  109.226   0.0000   0.0000   85.916   34.110  ?   ?  0.000000 34.10999 
1 1 1   -5    2   41 o  153.588   16.289  313.641   61.522  286.953  133.435  320.846   69.331  129.705   38.448  154.119   18.377 -24.41376 42.61429 
1 1 1   -5    2   42 o   42.145   16.310   16.699   24.439   67.400  119.586   14.489   24.966   80.521   34.181   41.419   16.351 39.10215 37.89011 
1 1 1   -5    2   43 f  151.614   16.698  310.858   62.173  317.469  153.121  309.552   68.034  127.438   41.731  149.985   18.561 -22.54727 45.67232 
1 1 1   -5    2   44 o   83.286   19.154   99.272   39.007   0.0000   0.0000   99.272   39.007  ?   ?    83.286   19.154 0.000000 19.15443 
1 1 1   -5    2   45 o  157.335   17.176  343.529   66.388  449.812  183.977  327.618   71.184  135.748   45.780  151.782   19.211 -16.03438 49.64722 
1 1 1   -5    3    1 o  270.869   10.308  918.431   69.723  902.946   98.541  933.955   98.667  267.814   14.792  272.422   14.556 -4.608398 20.75291 
1 1 1   -5    3    2 o  260.563   10.088  849.739   65.637  822.874   92.762  876.676   92.887  255.667   14.590  263.983   14.142 -8.316162 20.31893 
1 1 1   -5    3    3 o  140.602   8.0039  248.007   27.986  243.949   39.532  252.084   39.624  139.090   11.484  141.425   11.315 -2.335571 16.12171 
1 1 1   -5    3    4 o  340.937   11.666  1456.19   99.326  1423.41  140.374  1489.07  140.562  336.488   16.706  344.211   16.353 -7.722931 23.37727 
1 1 1   -5    3    5 o  408.214   13.566  2090.56  138.291  2171.40  195.718  2009.96  195.428  415.109   18.881  399.237   19.602 15.87183 27.21623 
1 1 1   -5    3    6 o  305.386   11.155  1168.47   85.067  1153.10  120.253  1183.88  120.351  302.408   15.981  306.465   15.780 -4.057373 22.45842 
1 1 1   -5    3    7 o  294.055   10.870  1083.38   79.817  1062.72  112.826  1104.09  112.931  290.292   15.622  295.957   15.333 -5.665680 21.88911 
1 1 1   -5    3    8 o  471.383   21.965  2814.81  258.552  2833.00  365.764  2796.65  365.533  468.430   31.451  465.307   31.646 3.122864 44.61670 
1 1 1   -5    3    9 o  647.780   29.135  5370.33  471.299  5436.20  666.754  5304.54  666.281  642.369   41.793  634.096   42.321 8.272583 59.47835 
1 1 1   -5    3   10 o  243.817   9.6807  744.135   58.941  723.462   83.284  764.879   83.427  239.676   13.976  246.518   13.605 -6.841858 19.50423 
1 1 1   -5    3   11 o  398.640   13.340  1992.42  132.792  1928.61  187.687  2056.37  187.906  391.338   19.206  404.196   18.616 -12.85815 26.74758 
1 1 1   -5    3   12 o   93.778   9.1386  111.023   21.129  118.743   37.051  107.303   25.721   96.011   16.018   91.880   11.460 4.131134 19.69500 
1 1 1   -5    3   13 o  318.333   13.341  1268.90  106.054  1213.75  183.904  1296.38  129.813  309.447   23.986  321.134   16.240 -11.68741 28.96703 
1 1 1   -5    3   14 o  954.065   41.324 11644.00  984.528   0.0000   0.0000 11644.00  984.528  ?   ?   954.065   41.324 0.000000 41.32373 
1 1 1   -5    3   15 o  375.956   26.393  1789.61  246.213  1789.61  246.213   0.0000   0.0000  375.956   26.393  ?   ?  0.000000 26.39276 
1 1 1   -5    3   16 o  388.242   15.234  1887.61  147.699  2033.17  257.080  1815.89  180.454  401.017   25.809  380.483   18.992 20.53406 32.04382 
1 1 1   -5    3   17 o  515.986   33.915  3386.66  434.566   0.0000   0.0000  3386.66  434.566  ?   ?   515.986   33.915 0.000000 33.91505 
1 1 1   -5    3   18 o  496.737   22.872  3101.87  283.716  3142.04  401.638  3061.86  400.833  497.208   32.527  490.696   32.902 6.512299 46.26613 
1 1 1   -5    3   19 o  831.714   36.466  8795.64  757.379  8830.30  1071.58  8761.04  1070.61  824.051   52.346  820.698   52.515 3.352356 74.14738 
1 1 1   -5    3   20 o  497.599   22.925  3116.17  284.867  3176.17  403.662  3056.64  402.068  499.363   32.549  489.681   33.074 9.681854 46.40377 
1 1 1   -5    3   21 o  339.453   17.098  1449.60  144.468  1567.75  205.847  1334.93  202.803  351.896   23.561  324.249   25.245 27.64694 34.53198 
1 1 1   -5    3   22 o  478.525   32.275  2932.04  383.416  2932.04  383.416   0.0000   0.0000  478.525   32.275  ?   ?  0.000000 32.27451 
1 1 1   -5    3   23 o  742.594   33.144  7067.27  614.624  7044.89  870.048  7089.58  868.375  729.873   48.004  732.414   47.740 -2.541077 67.70119 
1 1 1   -5    3   24 o  314.828   16.333  1250.24  127.968  1359.60  183.544  1146.81  178.510  326.862   22.626  299.685   24.056 27.17630 33.02446 
1 1 1   -5    3   25 o  685.071   30.973  6050.07  529.872  6080.89  750.945  6019.51  747.769  674.104   44.866  670.636   44.910 3.468689 63.48157 
1 1 1   -5    3   26 o  337.376   17.380  1441.73  145.928  1488.74  209.286  1397.25  203.580  340.373   24.793  329.652   24.914 10.72101 35.14836 
1 1 1   -5    3   27 o  366.559   18.533  1707.40  169.094  1729.02  242.378  1686.89  236.019  365.483   26.742  361.165   26.351 4.317352 37.54379 
1 1 1   -5    3   28 o  391.176   27.883  1991.10  270.584   0.0000   0.0000  1991.10  270.584  ?   ?   391.176   27.883 0.000000 27.88251 
1 1 1   -5    3   29 o  528.214   24.540  3591.12  323.689  3712.15  461.213  3473.65  454.394  527.824   35.193  509.861   35.918 17.96265 50.28600 
1 1 1   -5    3   30 o  313.406   16.654  1248.00  129.873  1326.69  189.617  1178.46  178.247  320.299   23.878  301.796   23.846 18.50311 33.74593 
1 1 1   -5    3   31 o  149.795   14.013  285.611   51.810  297.512   85.750  278.768   65.020  150.411   23.607  147.046   18.088 3.364777 29.74035 
1 1 1   -5    3   32 o  213.984   23.124  595.454  121.600  595.454  121.600   0.0000   0.0000  213.984   23.124  ?   ?  0.000000 23.12394 
1 1 1   -5    3   33 o   95.188   16.811  118.300   38.498  101.332   77.646  123.831   44.331   89.392   29.738   96.951   18.990 -7.558334 35.28413 
1 1 1   -5    3   34 o  182.579   15.259  425.230   68.933  347.500  112.291  472.235   87.322  160.417   29.103  191.563   18.484 -31.14612 34.47670 
1 1 1   -5    3   35 o  274.465   15.470  959.122  105.598  1168.37  165.884  816.553  136.925  300.007   22.302  250.628   22.104 49.37881 31.40001 
1 1 1   -5    3   36 o  242.540   16.014  752.380   96.445  766.733  155.417  743.392  122.991  240.127   26.351  239.151   20.802 0.9753571 33.57237 
1 1 1   -5    3   37 o  281.849   22.771  1045.42  158.899   0.0000   0.0000  1045.42  158.899  ?   ?   281.849   22.771 0.000000 22.77086 
1 1 1   -5    3   38 o  230.073   28.251  727.663  158.900  727.663  158.900   0.0000   0.0000  230.073   28.251  ?   ?  0.000000 28.25068 
1 1 1   -5    3   39 o   55.757   17.925   39.874   28.325  125.668   98.639   32.163   29.571   95.302   33.470   52.198   18.326 43.10386 38.15855 
1 1 1   -5    3   40 o  298.096   16.944  1164.82  125.610  1406.52  204.960  1019.45  158.960  317.712   26.063  272.871   23.559 44.84015 35.13282 
1 1 1   -5    3   41 o   94.368   35.949  129.293  117.453  129.293  117.453   0.0000   0.0000   94.368   35.949  ?   ?  0.000000 35.94903 
1 1 1   -5    3   42 o  125.081   16.942  210.595   51.556  146.853  129.605  222.578   56.194   96.934   37.547  128.025   18.080 -31.09144 41.67365 
1 1 1   -5    3   43 o  181.697   16.656  443.028   74.734  498.666  165.409  428.757   83.772  167.551   40.073  176.675   19.302 -9.124191 44.47920 
1 1 1   -5    3   44 o   52.078   17.906   35.072   28.159   2.1190  142.226   36.416   28.728   73.382   33.757   52.872   18.089 20.50971 38.29831 
1 1 1   -5    3   45 o  163.487   19.173  376.110   76.788   0.0000   0.0000  376.110   76.788  ?   ?   163.487   19.173 0.000000 19.17272 
1 1 1   -5    4    1 o  275.038   10.463  947.343   71.860  945.953  101.622  948.734  101.630  274.016   14.907  274.423   14.886 -0.4073181 21.06706 
1 1 1   -5    4    2 o   70.740   8.0123   63.388   13.904   70.374   19.600   56.310   19.727   74.173   10.908   65.950   12.435 8.223045 16.54063 
1 1 1   -5    4    3 o  177.862   8.4547  395.740   37.552  388.388   53.071  403.111   53.142  175.606   12.177  178.945   11.961 -3.338760 17.06923 
1 1 1   -5    4    4 o  162.198   8.2984  329.954   33.499  339.697   47.375  320.211   47.375  164.236   11.626  159.387   11.991 4.849213 16.70178 
1 1 1   -5    4    5 o  115.946   7.7214  168.879   22.229  180.408   31.487  157.424   31.386  119.543   10.660  111.503   11.433 8.039543 15.63174 
1 1 1   -5    4    6 o  302.784   11.103  1148.80   83.952  1135.96  118.687  1161.66  118.765  300.113   15.893  303.530   15.723 -3.417236 22.35631 
1 1 1   -5    4    7 o  223.088   9.3686  623.040   52.191  628.544   73.789  617.530   73.831  223.385   13.288  221.393   13.418 1.991440 18.88380 
1 1 1   -5    4    8 o  211.863   12.814  565.252   67.474  440.070   95.128  692.000   95.721  185.388   20.914  233.894   16.494 -48.50523 26.63533 
1 1 1   -5    4    9 o  213.727   13.090  575.300   69.526  520.772   98.231  630.034   98.418  202.166   19.708  222.914   17.829 -20.74818 26.57641 
1 1 1   -5    4   10 o  294.067   10.394  1082.82   76.325  1058.10  107.803  1107.67  108.077  289.871   14.944  297.012   14.572 -7.140900 20.87221 
1 1 1   -5    4   11 o  504.282   16.288  3194.45  205.115  3226.86  290.099  3162.05  290.054  505.324   22.989  500.163   23.223 5.161438 32.67734 
1 1 1   -5    4   12 o  309.489   10.922  1198.68   84.409  1182.06  119.336  1215.32  119.409  306.575   15.640  311.283   15.361 -4.707855 21.92203 
1 1 1   -5    4   13 o  623.679   18.851  4884.55  293.590  4765.13  415.023  5004.18  415.374  614.154   27.061  629.542   26.422 -15.38806 37.82083 
1 1 1   -5    4   14 o  565.263   20.777  4014.31  293.279  3954.84  508.157  4044.02  359.127  556.262   36.790  566.489   25.387 -10.22717 44.69868 
1 1 1   -5    4   15 o  282.836   12.276  1000.83   86.705  983.281  150.518  1009.54  106.071  278.914   21.784  283.528   15.035 -4.614044 26.46839 
1 1 1   -5    4   16 o  247.466   11.157  765.847   68.950  826.193  120.316  736.337   84.136  255.956   18.959  242.142   13.974 13.81381 23.55191 
1 1 1   -5    4   17 o  177.176   18.092  397.616   78.924   0.0000   0.0000  397.616   78.924  ?   ?   177.176   18.092 0.000000 18.09223 
1 1 1   -5    4   18 o  387.506   26.999  1901.39  259.634   0.0000   0.0000  1901.39  259.634  ?   ?   387.506   26.999 0.000000 26.99938 
1 1 1   -5    4   19 o  267.360   11.640  894.146   77.713  1080.28  137.024  805.886   94.356  292.842   18.838  253.230   14.988 39.61232 24.07260 
1 1 1   -5    4   20 o  403.120   15.747  2036.43  158.516  2151.80  276.188  1979.76  193.572  412.080   26.989  397.083   19.521 14.99652 33.30863 
1 1 1   -5    4   21 o  357.066   14.477  1597.45  129.082  1669.15  225.201  1562.37  157.527  362.911   25.002  352.343   17.963 10.56851 30.78599 
1 1 1   -5    4   22 o  447.892   20.881  2526.00  233.542  2704.14  331.810  2351.11  328.768  460.763   28.986  428.923   30.901 31.83932 42.36813 
1 1 1   -5    4   23 o  525.588   35.054  3560.24  457.439  3560.24  457.439   0.0000   0.0000  525.588   35.054  ?   ?  0.000000 35.05378 
1 1 1   -5    4   24 o  537.795   24.554  3670.10  329.759  3822.21  467.858  3519.94  464.857  543.532   34.650  520.814   35.963 22.71875 49.93972 
1 1 1   -5    4   25 o  440.714   21.111  2459.74  232.339  2423.52  330.166  2495.27  327.013  433.077   30.729  439.836   29.951 -6.758972 42.91082 
1 1 1   -5    4   26 o  101.032   13.969  130.758   34.300  169.064   55.316  106.830   43.719  113.875   20.192   90.111   19.955 23.76394 28.38836 
1 1 1   -5    4   27 o  619.476   28.325  4955.12  438.176  5037.85  621.728  4873.47  617.642  612.718   40.868  602.135   41.327 10.58337 58.12151 
1 1 1   -5    4   28 o  132.186   13.576  222.298   44.178  228.698   69.947  218.051   56.981  132.215   21.956  129.984   18.041 2.230972 28.41702 
1 1 1   -5    4   29 o  337.607   25.037  1474.67  209.574   0.0000   0.0000  1474.67  209.574  ?   ?   337.607   25.037 0.000000 25.03694 
1 1 1   -5    4   30 o  340.960   17.803  1479.34  151.057  1498.20  218.193  1461.97  209.336  339.610   25.924  335.843   25.143 3.766327 36.11426 
1 1 1   -5    4   31 f  276.797   15.962  972.915  109.860  981.145  161.739  965.866  149.691  275.210   23.767  273.715   22.088 1.494720 32.44651 
1 1 1   -5    4   32 o  211.479   14.778  567.885   77.553  555.566  119.354  576.886  102.026  206.545   23.562  211.866   19.503 -5.321625 30.58668 
1 1 1   -5    4   33 o  396.507   29.894  2075.18  293.822  2075.18  293.822   0.0000   0.0000  396.507   29.894  ?   ?  0.000000 29.89431 
1 1 1   -5    4   34 o  203.135   14.649  524.630   73.811  588.983  119.570  485.009   93.822  212.680   22.873  193.872   19.651 18.80821 30.15518 
1 1 1   -5    4   35 o  373.330   19.495  1788.50  181.118  1785.79  265.836  1790.84  247.434  366.959   29.253  369.043   27.037 -2.084351 39.83401 
1 1 1   -5    4   36 o  232.260   16.614  690.552   95.727  558.467  151.294  778.730  123.617  202.666   30.870  245.240   20.370 -42.57439 36.98452 
1 1 1   -5    4   37 o  175.362   18.751  399.589   80.838   0.0000   0.0000  399.589   80.838  ?   ?   175.362   18.751 0.000000 18.75058 
1 1 1   -5    4   38 o   98.423   19.389  129.563   45.958   0.0000   0.0000  129.563   45.958  ?   ?    98.423   19.389 0.000000 19.38857 
1 1 1   -5    4   39 o  114.647   16.561  172.803   46.040  163.110  106.728  175.019   51.032  106.264   34.842  114.738   18.435 -8.473373 39.41855 
1 1 1   -5    4   40 o  183.253   16.049  438.409   72.704  417.142  136.883  446.767   85.809  166.962   33.986  183.429   19.009 -16.46693 38.94127 
1 1 1   -5    4   41 o   64.091   18.418   55.848   31.041   60.530  110.828   55.450   32.335   80.441   33.440   63.936   18.921 16.50557 38.42217 
1 1 1   -5    4   42 o  116.965   38.844  233.514  132.499  233.514  132.499   0.0000   0.0000  116.965   38.844  ?   ?  0.000000 38.84407 
1 1 1   -5    4   43 o  218.888   16.440  638.151   89.204  825.185  177.625  575.070  103.156  231.277   31.581  204.263   20.500 27.01402 37.65083 
1 1 1   -5    4   44 o  104.026   17.971  149.475   44.994  130.600  146.994  151.427   47.263   92.124   38.423  104.235   18.851 -12.11077 42.79800 
1 1 1   -5    4   45 o  102.127   18.507  146.534   45.460   46.802  157.087  155.650   47.492   79.534   36.164  105.164   18.773 -25.62979 40.74659 
1 1 1   -5    4   46 o   75.967   19.638   84.436   37.526   0.0000   0.0000   84.436   37.526  ?   ?    75.967   19.638 0.000000 19.63787 
1 1 1   -5    5    1 o  352.646   17.426  1567.09  153.454  1661.51  217.179  1472.96  216.854  360.803   24.245  339.127   25.800 21.67673 35.40455 
1 1 1   -5    5    2 o  117.880   11.090  175.664   32.262  174.952   45.648  176.376   45.602  116.853   16.068  117.351   15.977 -0.4976273 22.65933 
1 1 1   -5    5    3 o  151.586   11.654  289.740   43.778  274.309   61.971  305.112   61.852  146.591   17.260  154.891   16.232 -8.299683 23.69349 
1 1 1   -5    5    4 o  132.958   11.353  223.169   37.333  223.434   52.982  222.906   52.614  132.259   16.393  132.119   16.292 0.1399231 23.11210 
1 1 1   -5    5    5 o  389.615   18.685  1915.19  181.794  2073.98  257.448  1757.27  256.746  402.814   25.728  369.848   28.007 32.96542 38.03043 
1 1 1   -5    5    6 o  253.984   14.218  812.872   89.813  863.792  127.240  762.311  126.790  260.778   19.684  244.603   20.960 16.17545 28.75369 
1 1 1   -5    5    7 f  320.137   16.461  1293.52  131.152  1288.46  185.564  1298.58  185.389  317.737   23.555  319.024   23.435 -1.287567 33.22668 
1 1 1   -5    5    8 o  210.846   12.962  559.928   67.915  610.773   96.307  509.630   95.788  219.452   17.725  200.000   19.424 19.45213 26.29610 
1 1 1   -5    5    9 o  557.706   25.386  3954.08  353.556  3994.93  500.129  3913.28  499.878  554.378   36.327  548.430   36.712 5.947754 51.64723 
1 1 1   -5    5   10 o  155.971   8.1143  305.074   31.495  304.175   44.442  305.980   44.640  155.395   11.535  155.856   11.552 -0.4607849 16.32485 
1 1 1   -5    5   11 o  272.884   10.439  931.991   71.137  918.011  100.560  945.996  100.646  270.081   14.969  274.209   14.753 -4.128448 21.01662 
1 1 1   -5    5   12 o  341.739   11.987  1462.06  102.292  1450.10  144.628  1474.03  144.698  339.445   17.117  342.684   16.909 -3.239319 24.06057 
1 1 1   -5    5   13 o  559.592   24.267  3946.36  339.114   0.0000   0.0000  3946.36  339.114  ?   ?   559.592   24.267 0.000000 24.26740 
1 1 1   -5    5   14 f  349.698   17.328  1533.44  151.321  1533.44  151.321   0.0000   0.0000  349.698   17.328  ?   ?  0.000000 17.32830 
1 1 1   -5    5   15 o  255.601   11.373  817.126   72.593  943.987  126.606  754.991   88.605  273.706   18.634  245.130   14.540 28.57628 23.63546 
1 1 1   -5    5   16 o  372.027   14.566  1732.77  135.317  1847.93  235.086  1675.71  165.480  382.439   24.748  365.580   18.126 16.85959 30.67660 
1 1 1   -5    5   17 o  594.472   21.625  4438.43  321.028  4518.83  556.701  4398.38  392.944  595.187   37.650  590.893   26.630 4.293762 46.11570 
1 1 1   -5    5   18 o  423.712   28.891  2275.69  303.868   0.0000   0.0000  2275.69  303.868  ?   ?   423.712   28.891 0.000000 28.89099 
1 1 1   -5    5   19 o  941.502   32.011 11219.52  752.601 12616.86  1306.62 10525.77  920.660  985.408   53.297  908.204   40.594 77.20490 66.99590 
1 1 1   -5    5   20 o  612.890   21.731  4722.13  332.596  5281.44  578.183  4445.51  406.605  643.383   36.133  593.476   27.436 49.90692 45.36887 
1 1 1   -5    5   21 o  364.719   14.856  1666.81  135.306  1534.14  235.538  1732.15  165.302  347.391   27.373  371.510   17.818 -24.11874 32.66142 
1 1 1   -5    5   22 o  395.714   15.140  1963.59  149.612  2215.49  261.581  1841.13  182.390  418.019   25.176  382.692   19.085 35.32770 31.59258 
1 1 1   -5    5   23 o  192.989   11.054  467.805   53.053  309.253   94.505  540.763   64.107  154.345   25.403  207.388   12.436 -53.04297 28.28412 
1 1 1   -5    5   24 o  587.282   26.346  4384.05  386.379  4610.65  548.518  4160.88  544.351  596.121   37.030  565.148   38.807 30.97375 53.63960 
1 1 1   -5    5   25 o  460.474   21.655  2685.51  249.012  2776.67  353.733  2595.96  350.599  463.994   30.703  448.193   31.526 15.80161 44.00610 
1 1 1   -5    5   26 o  236.159   14.304  703.977   83.957  754.584  121.914  658.328  115.789  243.247   20.255  226.997   20.653 16.24994 28.92703 
1 1 1   -5    5   27 o  542.293   25.149  3767.10  340.564  3787.27  483.556  3747.25  479.727  535.370   36.385  532.603   36.286 2.766968 51.38631 
1 1 1   -5    5   28 o  351.790   17.943  1571.63  157.105  1623.49  225.094  1522.38  219.376  354.526   25.597  343.167   25.788 11.35815 36.33534 
1 1 1   -5    5   29 o  121.272   14.147  187.844   42.036  152.804   67.476  210.068   53.738  106.879   25.616  127.676   17.300 -20.79684 30.91056 
1 1 1   -5    5   30 o  357.095   26.131  1655.28  231.402   0.0000   0.0000  1655.28  231.402  ?   ?   357.095   26.131 0.000000 26.13113 
1 1 1   -5    5   31 o  117.933   14.647  178.227   42.207  165.436   70.455  185.387   52.713  111.038   25.886  119.509   18.241 -8.470886 31.66753 
1 1 1   -5    5   32 o   63.658   18.105   52.815   30.149   66.783   61.675   48.429   34.560   75.551   26.469   62.129   19.782 13.42126 33.04459 
1 1 1   -5    5   33 f  411.674   20.211  2165.14  207.773  2235.38  299.908  2100.32  288.117  412.287   29.321  399.761   29.060 12.52594 41.28210 
1 1 1   -5    5   34 o  211.699   15.431  570.406   81.012  507.501  124.374  616.761  106.767  196.180   26.031  218.892   19.745 -22.71211 32.67203 
1 1 1   -5    5   35 f  520.640   23.979  3508.30  311.755  3798.17  448.846  3238.10  433.339  531.499   33.996  488.780   35.751 42.71918 49.33400 
1 1 1   -5    5   36 f  288.327   17.115  1062.74  122.677  1037.95  186.256  1081.73  163.037  280.194   26.952  288.325   22.831 -8.130829 35.32211 
1 1 1   -5    5   37 o  182.100   14.840  423.977   66.895  556.342  120.976  365.679   80.286  205.175   24.069  167.558   19.556 37.61719 31.01177 
1 1 1   -5    5   38 o  219.063   15.454  615.671   83.998  684.193  141.996  578.785  104.182  225.939   25.620  210.446   20.068 15.49333 32.54369 
1 1 1   -5    5   39 o  198.207   19.454  516.058   95.049   0.0000   0.0000  516.058   95.049  ?   ?   198.207   19.454 0.000000 19.45409 
1 1 1   -5    5   40 o   92.357   18.198  114.795   40.478   33.526  103.753  129.385   43.962   75.615   31.953   98.037   18.638 -22.42287 36.99161 
1 1 1   -5    5   41 o  267.910   17.796  946.720  118.382  889.380  192.312  981.704  150.215  245.674   32.116  268.526   22.612 -22.85167 39.27753 
1 1 1   -5    5   42 o  193.501   16.005  493.396   76.642  575.382  151.130  465.012   88.925  194.958   32.165  185.518   19.486 9.439835 37.60673 
1 1 1   -5    5   43 o   87.523   35.918   97.918  125.645   97.918  125.645   0.0000   0.0000   87.523   35.918  ?   ?  0.000000 35.91779 
1 1 1   -5    5   44 o  182.102   16.297  443.434   73.327  583.960  162.918  407.735   82.114  187.801   36.050  172.219   19.433 15.58241 40.95433 
1 1 1   -5    5   45 o  139.111   17.126  264.024   58.237  259.498  157.744  264.738   62.664  113.150   41.966  138.273   18.622 -25.12251 45.91244 
1 1 1   -5    5   46 o   74.549   19.099   80.166   35.714   95.992  163.053   79.368   36.603   84.426   37.748   74.004   19.524 10.42146 42.49810 
1 1 1   -5    6    1 o  280.410   10.324  985.033   72.290  960.570  102.141  1009.59  102.326  276.022   14.874  283.059   14.525 -7.037445 20.78956 
1 1 1   -5    6    2 o  266.283   10.282  888.262   68.371  902.890   96.671  873.621   96.712  267.643   14.518  263.212   14.773 4.431000 20.71320 
1 1 1   -5    6    3 o   98.420   7.8567  121.947   19.149  131.660   27.105  112.270   27.056  101.935   10.813   93.892   11.800 8.042625 16.00526 
1 1 1   -5    6    4 o  243.275   13.973  745.834   84.533  714.489  119.590  777.135  119.505  236.844   20.420  247.284   19.511 -10.43942 28.24259 
1 1 1   -5    6    5 o  153.838   11.709  298.440   44.645  276.318   63.128  320.575   63.146  147.055   17.537  158.796   16.149 -11.74121 23.83942 
1 1 1   -5    6    6 o  300.510   15.702  1139.07  117.426  1219.31  166.340  1059.36  165.792  309.565   21.654  288.023   23.249 21.54214 31.77105 
1 1 1   -5    6    7 o  180.018   12.191  408.258   54.479  445.421   77.341  371.656   76.754  187.372   16.704  170.733   18.287 16.63934 24.76792 
1 1 1   -5    6    8 o  396.879   19.118  1987.26  189.477  1953.14  267.927  2021.40  267.995  390.343   27.666  397.316   27.174 -6.972778 38.77917 
1 1 1   -5    6    9 o  293.948   15.402  1088.55  112.666  916.093  159.074  1262.14  159.595  267.797   24.043  315.574   20.361 -47.77774 31.50612 
1 1 1   -5    6   10 o  178.140   8.5121  396.907   37.866  369.521   53.433  424.534   53.669  171.254   12.583  183.720   11.760 -12.46625 17.22254 
1 1 1   -5    6   11 o  291.636   10.864  1064.52   79.122  1088.71  111.912  1040.35  111.879  294.192   15.286  287.514   15.641 6.677887 21.87050 
1 1 1   -5    6   12 o  623.645   19.285  4887.87  300.344  5010.32  424.950  4765.65  424.551  629.443   27.035  613.687   27.703 15.75574 38.70894 
1 1 1   -5    6   13 o  204.005   10.095  520.460   51.427  469.005   62.699  626.238   89.898  193.116   13.079  222.913   16.262 -29.79677 20.86856 
1 1 1   -5    6   14 o  314.771   11.453  1239.40   90.026  1253.58  127.307  1225.22  127.326  315.866   16.194  312.239   16.387 3.626770 23.03883 
1 1 1   -5    6   15 o  318.167   11.456  1266.13   91.021  1345.73  128.831  1186.80  128.615  327.764   15.740  307.276   16.825 20.48819 23.04016 
1 1 1   -5    6   16 o  280.237   12.402  982.469   86.790  960.728  150.806  993.236  106.126  275.667   22.093  281.227   15.168 -5.559631 26.79830 
1 1 1   -5    6   17 o  302.757   12.992  1146.90   98.226  965.029  170.309  1237.56  120.239  275.825   24.997  314.365   15.317 -38.53986 29.31671 
1 1 1   -5    6   18 o  404.760   15.907  2052.18  160.782  1987.92  279.033  2084.12  196.722  395.996   28.406  407.586   19.328 -11.59048 34.35794 
1 1 1   -5    6   19 o  146.248   17.818  272.106   63.727   0.0000   0.0000  272.106   63.727  ?   ?   146.248   17.818 0.000000 17.81791 
1 1 1   -5    6   20 o  417.246   15.820  2181.51  164.831  2373.41  287.172  2087.23  201.291  432.991   26.689  407.722   19.770 25.26950 33.21399 
1 1 1   -5    6   21 o  494.018   18.284  3063.46  225.557  3361.77  392.593  2916.48  275.579  514.163   30.717  481.292   22.929 32.87085 38.33133 
1 1 1   -5    6   22 o  417.863   15.176  2189.39  158.363  2670.03  277.321  1956.81  192.909  459.333   24.263  394.493   19.582 64.84045 31.17956 
1 1 1   -5    6   23 o  219.575   10.831  603.502   59.387  761.792  107.129  533.280   71.354  245.576   17.586  205.766   13.969 39.80968 22.45867 
1 1 1   -5    6   24 o  358.655   14.361  1614.46  128.618  1750.78  225.784  1548.97  156.491  370.887   24.516  350.350   17.947 20.53760 30.38352 
1 1 1   -5    6   25 o  446.370   20.582  2518.98  229.418  2745.70  327.114  2299.51  321.843  462.614   28.454  422.259   30.733 40.35547 41.88241 
1 1 1   -5    6   26 o  262.574   11.772  864.985   77.189  988.191  138.193  809.114   93.060  278.714   19.988  253.182   14.783 25.53198 24.86098 
1 1 1   -5    6   27 o  173.945   10.782  380.968   46.603  371.509   87.285  384.740   55.116  169.782   21.038  174.521   12.735 -4.738907 24.59183 
1 1 1   -5    6   28 o  358.694   14.424  1621.21  129.197  1781.97  228.620  1545.78  156.601  372.030   24.750  348.912   18.035 23.11761 30.62370 
1 1 1   -5    6   29 o  232.856   14.635  686.484   84.669  689.134  124.007  684.170  115.886  231.415   21.713  231.006   20.295 0.4090271 29.72059 
1 1 1   -5    6   30 o  300.690   16.310  1147.10  122.013  1211.63  177.519  1089.32  167.982  306.550   23.365  290.589   23.346 15.96164 33.03011 
1 1 1   -5    6   31 o  228.480   20.194  670.429  114.034   0.0000   0.0000  670.429  114.034  ?   ?   228.480   20.194 0.000000 20.19432 
1 1 1   -5    6   32 o  110.484   15.240  157.098   40.929  169.205   71.659  151.237   49.862  112.256   26.064  107.449   19.292 4.807381 32.42682 
1 1 1   -5    6   33 o  212.293   14.340  571.630   75.574  648.034  116.725  516.487   99.164  224.151   21.102  200.218   20.105 23.93327 29.14604 
1 1 1   -5    6   34 o  221.015   15.238  620.936   83.589  602.151  129.238  634.446  109.600  214.634   24.554  222.023   19.982 -7.388489 31.65740 
1 1 1   -5    6   35 o  220.192   14.956  616.411   81.750  708.263  129.746  555.938  105.275  233.573   22.524  207.379   20.601 26.19423 30.52425 
1 1 1   -5    6   36 o  301.464   23.673  1183.62  176.780   0.0000   0.0000  1183.62  176.780  ?   ?   301.464   23.673 0.000000 23.67301 
1 1 1   -5    6   37 o  469.857   35.356  3029.21  411.796  3029.21  411.796   0.0000   0.0000  469.857   35.356  ?   ?  0.000000 35.35581 
1 1 1   -5    6   38 o  397.458   19.750  2041.18  196.026  2225.47  290.547  1887.20  265.579  406.586   28.803  374.459   28.618 32.12750 40.60274 
1 1 1   -5    6   39 o   48.952   18.010   25.257   28.946   29.823   91.397   24.748   30.517   72.684   30.304   49.389   18.431 23.29454 35.46883 
1 1 1   -5    6   40 o   82.409   19.700   92.351   39.989   0.0000   0.0000   92.351   39.989  ?   ?    82.409   19.700 0.000000 19.69951 
1 1 1   -5    6   41 o  224.740   16.020  658.580   89.317  743.198  157.058  618.133  108.585  229.371   28.002  214.842   20.488 14.52863 34.69647 
1 1 1   -5    6   42 o  208.931   15.881  572.765   82.236  707.799  155.917  520.722   96.795  220.849   28.970  196.410   20.015 24.43935 35.21164 
1 1 1   -5    6   43 o  219.249   16.997  638.913   92.332  640.122  170.619  638.412  109.799  201.190   35.245  216.173   20.588 -14.98326 40.81749 
1 1 1   -5    6   44 o   61.283   29.218 -95.5246  123.994 -95.5246  123.994   0.0000   0.0000   61.283   29.218  ?   ?  0.000000 29.21768 
1 1 1   -5    6   45 o  148.801   16.831  299.565   61.442  367.852  158.960  287.571   66.619  137.798   42.215  144.330   18.941 -6.531815 46.26929 
1 1 1   -5    6   46 o   63.943   19.048   57.955   32.692  176.413  158.367   52.683   33.411   96.704   40.069   61.325   19.442 35.37854 44.53640 
1 1 1   -5    7    1 o  239.199   9.6936  716.340   57.902  699.767   81.807  732.978   81.965  235.667   13.963  241.259   13.661 -5.592453 19.53429 
1 1 1   -5    7    2 o  277.938   10.387  967.618   72.089  925.988  101.817  1009.47  102.082  270.999   15.105  283.094   14.489 -12.09491 20.93071 
1 1 1   -5    7    3 o  116.940   7.8951  171.840   22.920  178.503   32.347  165.120   32.482  118.847   11.025  114.194   11.549 4.653305 15.96662 
1 1 1   -5    7    4 o  215.352   9.1674  580.504   49.300  611.855   69.743  549.194   69.698  220.473   12.722  208.738   13.443 11.73561 18.50798 
1 1 1   -5    7    5 o  343.027   12.091  1475.54  103.568  1475.59  146.446  1475.49  146.490  341.857   17.210  341.844   17.216 0.1217651E-01 24.34243 
1 1 1   -5    7    6 o  247.793   9.5567  768.688   59.136  716.685   83.474  821.085   83.788  238.487   14.079  255.460   13.179 -16.97267 19.28483 
1 1 1   -5    7    7 o  218.463   9.1694  597.305   50.023  561.234   70.644  633.579   70.843  211.054   13.474  224.404   12.694 -13.34944 18.51197 
1 1 1   -5    7    8 o  112.085   7.9611  157.910   22.138  151.297   31.368  164.473   31.248  109.269   11.676  114.052   11.113 -4.783310 16.11932 
1 1 1   -5    7    9 o  477.596   15.462  2864.42  184.412  2800.39  260.655  2928.59  260.941  470.808   22.170  481.582   21.698 -10.77448 31.02143 
1 1 1   -5    7   10 o  167.038   8.4831  349.812   35.269  344.159   49.938  355.437   49.818  165.316   12.182  168.045   11.949 -2.728577 17.06463 
1 1 1   -5    7   11 o  100.315   8.0112  126.600   19.901  120.487   28.047  132.799   28.243   97.403   11.769  102.399   11.229 -4.995888 16.26702 
1 1 1   -5    7   12 f  199.088   10.278  497.072   50.921  453.272   87.750  519.310   62.526  189.057   18.838  203.309   12.374 -14.25175 22.53846 
1 1 1   -5    7   13 o  425.690   13.878  2269.10  147.527  2194.76  208.378  2343.81  208.891  418.020   19.962  432.056   19.361 -14.03604 27.80890 
1 1 1   -5    7   14 o  152.404   8.4007  291.174   31.848  306.663   45.040  275.685   45.040  156.142   11.635  147.930   12.304 8.212418 16.93382 
1 1 1   -5    7   15 o  152.810   8.5330  292.741   32.431  303.301   45.871  282.187   45.859  155.259   11.922  149.676   12.380 5.583176 17.18775 
1 1 1   -5    7   16 o  993.059   29.826 12451.89  739.635 12307.09  1045.77 12596.81  1046.23  981.566   42.665  993.306   42.179 -11.73969 59.99429 
1 1 1   -5    7   17 o  242.609   10.064  735.849   60.972  764.004   86.370  707.880   86.085  246.658   14.081  237.343   14.595 9.315109 20.28012 
1 1 1   -5    7   18 o  138.902   10.053  242.471   34.634  224.023   61.419  251.072   41.937  132.287   19.149  141.166   12.011 -8.878616 22.60420 
1 1 1   -5    7   19 o  311.762   15.306  1217.36  119.158   0.0000   0.0000  1217.36  119.158  ?   ?   311.762   15.306 0.000000 15.30564 
1 1 1   -5    7   20 o  207.327   19.260  544.117   98.575   0.0000   0.0000  544.117   98.575  ?   ?   207.327   19.260 0.000000 19.25976 
1 1 1   -5    7   21 o  595.366   21.584  4458.48  320.904  4726.42  557.256  4325.54  392.522  607.681   36.897  585.246   26.858 22.43518 45.63696 
1 1 1   -5    7   22 o  383.281   14.744  1841.51  141.122  2212.60  247.204  1662.10  171.882  418.156   23.772  363.170   19.019 54.98630 30.44368 
1 1 1   -5    7   23 o  616.885   22.084  4800.58  340.202  5236.85  591.568  4584.99  415.847  637.289   37.335  601.114   27.703 36.17456 46.49044 
1 1 1   -5    7   24 o  276.336   12.626  957.208   87.128  625.421  152.188  1118.98  106.267  219.919   28.374  298.614   14.251 -78.69495 31.75139 
1 1 1   -5    7   25 o  347.267   14.419  1514.81  125.042  1522.11  219.182  1511.28  152.249  344.987   25.625  345.901   17.685 -0.9145203 31.13522 
1 1 1   -5    7   26 o  105.865   12.486  142.593   32.374  224.881   55.377   99.870   39.902  132.477   17.141   87.269   18.860 45.20837 25.48592 
1 1 1   -5    7   27 o  107.300   10.840  145.863   28.648  128.937   57.918  151.345   32.963   98.618   23.792  109.095   12.315 -10.47710 26.79085 
1 1 1   -5    7   28 o  147.867   11.121  275.987   40.763  143.584   77.014  327.515   48.044  103.780   28.735  161.014   12.036 -57.23502 31.15433 
1 1 1   -5    7   29 o  174.888   11.239  385.694   48.825  286.010   91.544  425.322   57.719  147.107   25.864  183.453   12.677 -36.34602 28.80377 
1 1 1   -5    7   30 o  399.681   15.609  2018.37  155.788  2224.00  275.524  1921.73  188.880  414.051   26.791  388.235   19.545 25.81613 33.16260 
1 1 1   -5    7   31 o  228.706   12.016  659.685   68.387  589.446  126.772  688.514   81.218  212.842   24.286  233.252   14.009 -20.40984 28.03676 
1 1 1   -5    7   32 o   92.248   19.934  112.479   44.579   0.0000   0.0000  112.479   44.579  ?   ?    92.248   19.934 0.000000 19.93376 
1 1 1   -5    7   33 o  418.885   16.414  2222.93  171.699  2358.20  305.311  2160.36  207.646  424.146   28.999  411.418   20.211 12.72809 35.34762 
1 1 1   -5    7   34 o  285.166   13.190  1025.38   93.929  999.617  173.552  1036.05  111.703  276.899   25.381  285.647   15.720 -8.747192 29.85543 
1 1 1   -5    7   35 o  139.689   15.092  249.708   51.808  306.115   93.602  224.796   62.205  151.785   25.606  131.349   19.562 20.43591 32.22311 
1 1 1   -5    7   36 f  270.893   16.433  935.452  110.641  977.119  169.354  904.424  146.141  273.236   25.101  264.053   22.373 9.182190 33.62478 
1 1 1   -5    7   37 o  215.425   15.957  593.140   85.233  547.008  136.462  622.648  109.139  202.200   27.758  219.274   20.157 -17.07391 34.30523 
1 1 1   -5    7   38 o  163.740   16.090  345.099   64.941  261.728  116.479  382.705   78.228  135.698   34.343  171.698   18.539 -35.99950 39.02797 
1 1 1   -5    7   39 o  150.656   15.433  292.984   57.243  352.674  114.933  273.293   66.013  158.970   30.053  144.333   18.759 14.63625 35.42698 
1 1 1   -5    7   40 o  100.765   17.850  135.113   43.270   76.628  104.085  147.332   47.576   85.033   33.443  104.992   18.838 -19.95894 38.38427 
1 1 1   -5    7   41 o  151.943   18.601  306.471   69.105   0.0000   0.0000  306.471   69.105  ?   ?   151.943   18.601 0.000000 18.60128 
1 1 1   -5    7   42 o  150.737   16.268  299.474   60.267  302.699  131.460  298.616   67.812  137.411   37.338  149.355   18.584 -11.94429 41.70686 
1 1 1   -5    7   43 o  284.640   17.886  1078.29  126.486  1159.71  209.417  1031.53  158.703  279.622   30.485  272.315   23.570 7.307281 38.53442 
1 1 1   -5    7   44 o   69.056   19.002   66.335   33.799  117.880  129.655   62.577   35.010   91.494   36.877   67.147   19.636 24.34722 41.77908 
1 1 1   -5    7   45 f  184.494   40.871  606.328  183.339  606.328  183.339   0.0000   0.0000  184.494   40.871  ?   ?  0.000000 40.87084 
1 1 1   -5    7   46 o  251.535   18.219  866.366  113.662  990.573  218.967  820.555  132.981  237.560   38.206  239.356   22.513 -1.796204 44.34544 
1 1 1   -5    7   47 f  107.650   18.366  163.391   47.601  169.615  174.418  162.890   49.480   93.611   40.527  106.905   19.242 -13.29475 44.86324 
1 1 1   -5    8    1 o  224.686   9.4539  631.691   53.044  619.657   74.841  643.838   75.193  221.874   13.573  226.204   13.371 -4.329971 19.05271 
1 1 1   -5    8    2 o   92.743   7.9339  108.350   18.198  112.437   25.623  104.191   25.849   94.099   11.119   90.444   11.721 3.654648 16.15577 
1 1 1   -5    8    3 f  282.239   10.558  997.532   74.415  969.728  105.093  1025.49  105.385  277.430   15.228  285.382   14.839 -7.951508 21.26206 
1 1 1   -5    8    4 o  205.492   8.9945  528.375   46.156  500.803   65.163  556.136   65.385  199.386   13.162  210.243   12.510 -10.85648 18.15869 
1 1 1   -5    8    5 f  283.626   10.686  1007.44   75.689  991.980  106.975  1022.94  107.106  280.586   15.325  284.980   15.104 -4.393890 21.51759 
1 1 1   -5    8    6 o  248.952   9.9309  775.807   61.738  767.949   87.273  783.680   87.350  246.957   14.212  249.501   14.077 -2.544525 20.00340 
1 1 1   -5    8    7 o  469.114   15.184  2763.31  177.872  2738.49  251.486  2788.16  251.612  465.654   21.627  469.904   21.442 -4.249237 30.45503 
1 1 1   -5    8    8 o  471.707   15.350  2793.24  180.813  2725.91  255.595  2860.69  255.821  464.665   22.027  476.135   21.516 -11.46988 30.79166 
1 1 1   -5    8    9 o  295.089   10.960  1090.00   80.762  1065.98  114.129  1114.09  114.299  291.007   15.764  297.569   15.435 -6.562622 22.06205 
1 1 1   -5    8   10 o  413.631   13.812  2144.00  142.667  2104.54  201.664  2183.54  201.859  409.033   19.743  416.693   19.399 -7.659180 27.67893 
1 1 1   -5    8   11 o  653.977   28.873  5416.13  471.528   0.0000   0.0000  5416.13  471.528  ?   ?   653.977   28.873 0.000000 28.87315 
1 1 1   -5    8   12 o  655.379   29.150  5433.84  477.066  5433.84  477.066   0.0000   0.0000  655.379   29.150  ?   ?  0.000000 29.14976 
1 1 1   -5    8   13 o  245.589   9.9297  754.146   60.897  740.802   86.037  767.542   86.206  242.810   14.252  247.193   14.023 -4.382523 19.99415 
1 1 1   -5    8   14 o  562.901   17.793  3973.16  250.115  3927.56  353.599  4018.82  353.833  558.439   25.356  564.941   25.081 -6.502563 35.66502 
1 1 1   -5    8   15 o  540.870   17.053  3666.37  230.325  3765.29  325.817  3567.56  325.641  547.140   23.847  532.473   24.490 14.66626 34.18215 
1 1 1   -5    8   16 o  380.176   13.079  1808.54  124.166  1769.34  175.536  1847.80  175.658  375.609   18.715  383.882   18.324 -8.272400 26.19161 
1 1 1   -5    8   17 o  603.667   19.052  4570.90  287.205  4579.60  406.139  4562.19  406.200  602.862   26.978  601.703   27.034 1.158752 38.19199 
1 1 1   -5    8   18 o  350.602   12.405  1537.84  108.604  1623.48  153.735  1452.52  153.444  359.911   17.105  339.877   18.145 20.03488 24.93625 
1 1 1   -5    8   19 o  409.025   15.974  2096.09  163.161  1870.13  282.977  2208.62  199.699  383.616   29.773  419.556   19.060 -35.94046 35.35137 
1 1 1   -5    8   20 o  540.633   35.438  3730.62  475.782   0.0000   0.0000  3730.62  475.782  ?   ?   540.633   35.438 0.000000 35.43757 
1 1 1   -5    8   21 o  575.994   25.939  4187.02  373.103  4365.04  528.610  4010.29  526.692  584.039   36.426  559.129   37.947 24.91010 52.60039 
1 1 1   -5    8   22 o  271.617   11.565  923.417   78.440  1104.08  138.858  838.750   95.060  295.809   18.897  258.246   14.802 37.56281 24.00393 
1 1 1   -5    8   23 o  590.084   21.097  4388.56  310.870  4860.35  540.650  4155.54  379.962  614.888   35.359  572.639   26.571 42.24835 44.23002 
1 1 1   -5    8   24 o  373.535   15.063  1751.88  140.509  1306.34  244.008  1972.91  171.863  318.280   31.098  396.034   17.378 -77.75351 35.62380 
1 1 1   -5    8   25 o  376.044   15.266  1777.44  143.356  1763.41  250.636  1784.27  174.766  370.939   27.248  376.159   18.605 -5.220367 32.99439 
1 1 1   -5    8   26 o   98.015   11.417  122.084   27.420   95.485   55.320  130.748   31.572   85.579   24.586  101.268   12.768 -15.68884 27.70353 
1 1 1   -5    8   27 o  364.754   19.134  1688.88  173.673  1245.31  246.825  2123.82  244.415  308.117   32.573  407.246   24.141 -99.12878 40.54382 
1 1 1   -5    8   28 o  132.144   10.225  220.293   33.478  246.156   67.180  211.749   38.614  137.859   20.106  129.268   12.103 8.590485 23.46760 
1 1 1   -5    8   29 o  366.461   15.098  1694.33  138.161  1677.66  243.318  1702.26  167.844  359.526   27.305  365.953   18.426 -6.426514 32.94079 
1 1 1   -5    8   30 o  285.324   11.926  1023.47   84.973  1277.31  155.288  914.981  101.520  316.290   19.760  268.796   15.187 47.49432 24.92151 
1 1 1   -5    8   31 o  232.044   12.207  679.174   70.484  580.378  129.581  720.686   83.996  210.940   25.092  238.641   14.158 -27.70067 28.81092 
1 1 1   -5    8   32 o  144.710   10.790  264.483   38.711  292.491   82.313  256.530   43.864  149.491   22.769  142.230   12.476 7.260880 25.96295 
1 1 1   -5    8   33 o  270.751   22.099  944.932  148.112   0.0000   0.0000  944.932  148.112  ?   ?   270.751   22.099 0.000000 22.09904 
1 1 1   -5    8   34 o  168.914   11.276  360.332   47.291  397.229  100.555  349.853   53.587  174.208   23.732  166.113   13.023 8.095810 27.07030 
1 1 1   -5    8   35 o  145.229   11.232  266.843   40.416  411.214   99.303  238.180   44.247  177.427   22.950  136.820   13.111 40.60765 26.43129 
1 1 1   -5    8   36 o  161.249   27.526  348.131  106.860  348.131  106.860   0.0000   0.0000  161.249   27.526  ?   ?  0.000000 27.52594 
1 1 1   -5    8   37 o  289.978   12.582  1061.46   91.108  1291.33  178.573  980.565  105.933  315.192   22.843  277.573   15.342 37.61841 27.51683 
1 1 1   -5    8   38 o  151.676   12.021  292.323   45.158  203.352  108.723  310.871   49.642  120.184   34.449  156.256   12.836 -36.07259 36.76287 
1 1 1   -5    8   39 o  184.797   12.225  434.285   56.095  309.425  129.672  463.029   62.217  146.115   35.816  190.572   13.154 -44.45651 38.15533 
1 1 1   -5    8   40 o  225.754   12.177  648.916   68.395  701.584  151.739  635.487   76.619  226.302   27.410  222.771   13.841 3.530518 30.70640 
1 1 1   -5    8   41 o  183.191   12.000  428.993   54.592  413.682  137.607  431.853   59.472  167.159   34.120  183.409   13.071 -16.24936 36.53796 
1 1 1   -5    8   42 o  196.969   13.547  500.991   66.227   0.0000   0.0000  500.991   66.227  ?   ?   196.969   13.547 0.000000 13.54682 
1 1 1   -5    8   43 o   98.062   12.474  125.343   29.854  216.054  127.545  120.085   30.707  114.746   38.111   95.716   13.198 19.02938 40.33181 
1 1 1   -5    8   44 o   65.649   14.411   58.128   22.977  284.338  135.120   51.393   23.316  128.760   38.810   61.517   15.253 67.24248 41.69955 
1 1 1   -5    8   45 o  236.110   12.863  724.701   75.555  1016.85  199.883  675.999   81.610  255.981   31.966  226.824   14.484 29.15724 35.09418 
1 1 1   -5    8   46 o  191.190   12.589  477.293   59.767  586.278  185.940  464.736   63.116  176.212   42.703  188.013   13.534 -11.80086 44.79619 
1 1 1   -5    8   47 o  146.428   12.314  281.721   44.611  327.354  184.007  278.872   45.982  118.494   45.030  145.398   12.795 -26.90437 46.81256 
1 1 1   -5    9    1 o  597.709   26.821  4522.55  400.322  4359.07  565.878  4686.33  566.403  581.099   39.226  603.307   37.786 -22.20721 54.46516 
1 1 1   -5    9    2 o  463.074   14.878  2689.61  172.051  2637.19  243.178  2742.15  243.457  457.458   21.287  466.551   20.896 -9.092804 29.82975 
1 1 1   -5    9    3 o  384.632   13.092  1853.93  125.745  1858.61  177.758  1849.25  177.904  384.418   18.517  383.439   18.580 0.9787292 26.23150 
1 1 1   -5    9    4 o  289.499   10.829  1049.11   78.285  1068.42  110.671  1029.78  110.753  291.392   15.262  286.014   15.565 5.377045 21.79941 
1 1 1   -5    9    5 o  313.813   11.347  1233.05   88.923  1221.55  125.676  1244.58  125.836  311.478   16.214  314.429   16.080 -2.951141 22.83514 
1 1 1   -5    9    6 o  534.267   17.038  3586.19  227.318  3637.57  321.504  3534.81  321.449  536.450   24.000  528.725   24.346 7.725586 34.18664 
1 1 1   -5    9    7 o  761.990   23.557  7332.83  448.243  7301.59  633.855  7364.08  633.968  755.956   33.577  759.256   33.437 -3.299438 47.38626 
1 1 1   -5    9    8 o  434.198   14.324  2363.42  155.312  2377.53  219.651  2349.30  219.638  434.626   20.238  432.018   20.359 2.608521 28.70649 
1 1 1   -5    9    9 o  284.656   10.679  1013.82   75.913  980.700  107.273  1047.05  107.440  279.232   15.444  288.614   14.959 -9.382172 21.50081 
1 1 1   -5    9   10 o  363.236   12.393  1651.67  112.410  1534.17  158.675  1770.06  159.269  349.078   18.266  375.602   16.981 -26.52383 24.93978 
1 1 1   -5    9   11 o  408.966   13.776  2094.54  140.692  2093.44  198.996  2095.64  198.941  408.247   19.520  408.464   19.504 -0.2165222 27.59375 
1 1 1   -5    9   12 o  521.069   16.636  3403.88  216.463  3379.57  306.060  3428.21  306.190  518.133   23.655  521.877   23.495 -3.743713 33.33986 
1 1 1   -5    9   13 f  840.268   25.590  8895.63  536.959  8695.14  759.063  9096.46  759.686  826.801   36.764  846.003   35.959 -19.20178 51.42655 
1 1 1   -5    9   14 o  378.163   12.961  1789.54  122.394  1811.12  173.100  1767.96  173.082  380.024   18.240  375.449   18.461 4.574829 25.95220 
1 1 1   -5    9   15 o  357.274   12.364  1596.90  110.313  1573.59  155.902  1620.27  156.109  354.299   17.621  359.534   17.388 -5.234741 24.75537 
1 1 1   -5    9   16 o  926.852   28.129 10833.79  651.060 11022.94  920.962 10644.83  920.515  930.361   39.641  913.950   40.333 16.41071 56.55177 
1 1 1   -5    9   17 f  907.807   27.630 10390.05  626.350 10112.92  885.376 10667.72  886.210  891.013   39.792  915.592   38.760 -24.57874 55.54932 
1 1 1   -5    9   18 o  582.897   18.243  4260.79  265.547  4182.94  375.386  4338.78  375.695  576.243   26.087  586.969   25.631 -10.72601 36.57163 
1 1 1   -5    9   19 o  315.330   11.607  1243.81   91.394  1295.42  129.383  1192.40  129.119  321.124   16.186  307.976   16.853 13.14771 23.36708 
1 1 1   -5    9   20 o  195.511   13.424  480.775   65.142   0.0000   0.0000  480.775   65.142  ?   ?   195.511   13.424 0.000000 13.42401 
1 1 1   -5    9   21 o  782.617   50.257  7991.09  977.001   0.0000   0.0000  7991.09  977.001  ?   ?   782.617   50.257 0.000000 50.25710 
1 1 1   -5    9   22 o  436.031   16.931  2386.56  184.357  2336.48  320.540  2411.31  225.361  427.950   30.188  437.724   20.617 -9.774384 36.55645 
1 1 1   -5    9   23 o  298.017   12.840  1112.85   95.557  1155.61  167.703  1092.29  116.279  301.800   22.412  294.557   15.867 7.242523 27.46010 
1 1 1   -5    9   24 o  193.994   11.420  473.032   55.078  349.458   98.503  529.240   66.433  164.301   24.778  205.038   13.043 -40.73746 28.00119 
1 1 1   -5    9   25 o  734.501   26.250  6869.64  481.479  7391.14  836.473  6611.25  588.801  746.745   45.068  716.586   32.904 30.15930 55.80149 
1 1 1   -5    9   26 o  196.850   11.050  487.313   54.097  480.747   98.171  490.176   64.828  193.809   20.600  197.123   13.247 -3.314240 24.49147 
1 1 1   -5    9   27 o  362.012   15.034  1650.38  135.913  1581.26  238.056  1683.81  165.546  349.900   27.466  364.944   18.165 -15.04413 32.92918 
1 1 1   -5    9   28 o  284.873   16.434  1028.11  116.409  898.459  167.988  1147.89  161.459  263.392   25.874  299.491   21.737 -36.09866 33.79301 
1 1 1   -5    9   29 o  351.220   14.636  1555.22  128.365  1567.24  226.386  1549.53  155.839  347.979   26.245  349.296   17.927 -1.317383 31.78341 
1 1 1   -5    9   30 o   80.410   12.484   83.214   24.255  115.199   56.965   76.131   26.806   93.044   24.265   76.459   14.572 16.58513 28.30432 
1 1 1   -5    9   31 o  276.845   12.629  964.567   87.309  980.136  158.158  957.743  104.709  275.608   23.196  274.944   15.311 0.6643982 27.79345 
1 1 1   -5    9   32 o  259.431   11.785  846.368   76.351  1006.18  142.547  782.076   90.414  280.154   20.518  248.489   14.635 31.66415 25.20308 
1 1 1   -5    9   33 o  350.234   15.186  1550.26  132.813  1339.73  237.199  1646.40  160.296  318.772   30.156  360.112   17.825 -41.34003 35.03031 
1 1 1   -5    9   34 o   56.091   20.119   34.342   35.814   0.0000   0.0000   34.342   35.814  ?   ?    56.091   20.119 0.000000 20.11893 
1 1 1   -5    9   35 f  351.161   15.059  1559.82  132.055  1493.00  241.656  1588.27  157.680  336.648   29.029  352.963   17.949 -16.31512 34.12999 
1 1 1   -5    9   36 o  256.371   11.793  827.648   75.497  1083.31  151.883  743.748   87.008  289.909   21.125  242.102   14.458 47.80769 25.59859 
1 1 1   -5    9   37 o  195.944   11.501  485.280   56.030  598.518  124.536  456.542   62.738  213.761   23.731  189.634   13.333 24.12697 27.21972 
1 1 1   -5    9   38 o  226.799   11.540  650.461   65.141  901.710  141.739  583.182   73.346  263.174   21.763  214.130   13.790 49.04362 25.76382 
1 1 1   -5    9   39 o  243.311   14.457  755.777   87.446  1120.22  152.229  576.294  106.830  293.059   20.939  209.896   20.649 83.16286 29.40801 
1 1 1   -5    9   40 o  147.930   11.592  278.855   42.479  310.630  116.853  274.016   45.599  147.077   32.666  146.367   12.598 0.7099304 35.01106 
1 1 1   -5    9   41 o  257.558   12.796  845.968   82.298  967.506  177.098  812.493   92.944  264.927   27.153  251.084   14.890 13.84393 30.96749 
1 1 1   -5    9   42 o  193.950   11.820  481.505   56.976  607.884  145.674  458.680   61.908  206.314   29.082  188.700   13.221 17.61429 31.94603 
1 1 1   -5    9   43 o  170.346   12.984  375.204   54.818   0.0000   0.0000  375.204   54.818  ?   ?   170.346   12.984 0.000000 12.98434 
1 1 1   -5    9   44 o   59.628   15.386   48.202   23.063   7.8881  130.731   49.497   23.431   75.350   33.737   60.402   15.467 14.94796 37.11350 
1 1 1   -5    9   45 o  108.978   12.455  155.159   33.287   52.241  145.130  160.874   34.199   82.711   36.365  110.946   12.565 -28.23452 38.47448 
1 1 1   -5    9   46 o   48.706   15.067   31.512   20.194  260.395  155.921   27.607   20.366  115.905   41.927   46.301   15.222 69.60393 44.60464 
1 1 1   -5    9   47 o  180.729   12.130  426.776   54.429  855.964  201.634  393.045   56.527  219.891   38.101  172.703   13.207 47.18814 40.32484 
1 1 1   -5   10    1 o  415.646   13.869  2163.94  143.953  2265.44  203.681  2062.64  203.480  424.666   19.207  405.094   20.115 19.57181 27.81186 
1 1 1   -5   10    2 o  179.092   12.426  403.448   55.231  439.651   78.130  367.287   78.085  186.431   16.968  169.996   18.703 16.43542 25.25338 
1 1 1   -5   10    3 o  548.726   24.761  3799.86  339.288  3572.53  479.398  4028.00  480.254  527.571   36.615  561.196   34.436 -33.62457 50.26433 
1 1 1   -5   10    4 o  454.193   14.810  2585.85  167.975  2496.02  237.359  2675.98  237.745  445.297   21.345  461.191   20.643 -15.89404 29.69470 
1 1 1   -5   10    5 o  247.751   9.9497  767.757   61.557  798.545   87.042  736.952   87.067  252.078   13.881  242.062   14.470 10.01682 20.05159 
1 1 1   -5   10    6 o  258.554   10.029  836.187   64.751  820.281   91.408  852.208   91.737  255.440   14.389  260.406   14.161 -4.966431 20.18788 
1 1 1   -5   10    7 o  666.260   20.786  5584.33  345.840  5590.90  489.064  5577.77  489.119  664.138   29.489  663.345   29.527 0.7937012 41.73069 
1 1 1   -5   10    8 o  619.822   19.286  4826.81  298.511  5039.51  422.432  4614.67  421.885  631.511   26.787  603.982   27.972 27.52930 38.72937 
1 1 1   -5   10    9 o  430.674   14.322  2323.57  154.031  2304.33  217.766  2342.84  217.900  428.164   20.367  431.749   20.210 -3.584808 28.69287 
1 1 1   -5   10   10 o  583.395   26.261  4294.58  382.580   0.0000   0.0000  4294.58  382.580  ?   ?   583.395   26.261 0.000000 26.26086 
1 1 1   -5   10   11 o  324.606   16.498  1324.26  133.291  1324.26  133.291   0.0000   0.0000  324.606   16.498  ?   ?  0.000000 16.49772 
1 1 1   -5   10   12 o  485.308   15.709  2950.90  190.382  2878.36  269.128  3023.55  269.354  478.436   22.526  490.435   21.993 -11.99915 31.48219 
1 1 1   -5   10   13 o  436.573   14.243  2386.26  155.277  2542.34  219.799  2230.77  219.393  450.082   19.556  421.455   20.846 28.62747 28.58311 
1 1 1   -5   10   14 o  258.392   10.259  834.788   66.195  810.049   93.579  859.564   93.649  253.915   14.823  261.631   14.389 -7.716248 20.65827 
1 1 1   -5   10   15 o  457.335   15.064  2619.11  172.039  2666.36  243.346  2571.91  243.255  460.792   21.148  452.510   21.527 8.281891 30.17693 
1 1 1   -5   10   16 o  195.864   9.1338  479.508   44.675  500.909   63.142  458.057   63.216  199.684   12.729  190.854   13.348 8.830185 18.44453 
1 1 1   -5   10   17 o  531.411   16.649  3538.69  220.942  3607.06  312.505  3470.34  312.414  535.591   23.365  525.270   23.818 10.32068 33.36494 
1 1 1   -5   10   18 o  621.878   19.307  4852.81  299.829  4980.31  424.158  4725.46  423.888  628.500   27.025  612.051   27.734 16.44904 38.72397 
1 1 1   -5   10   19 o  389.511   13.372  1899.12  130.071  1832.72  183.630  1965.98  184.269  381.637   19.331  395.840   18.642 -14.20343 26.85529 
1 1 1   -5   10   20 o  302.951   11.077  1148.09   83.800  1208.12  118.628  1088.29  118.394  310.509   15.299  294.207   16.177 16.30246 22.26558 
1 1 1   -5   10   21 o  415.708   19.750  2171.92  205.030  2586.14  290.216  1759.18  289.697  451.862   25.827  370.979   31.571 80.88309 40.78939 
1 1 1   -5   10   22 o  709.309   45.925  6560.04  809.085   0.0000   0.0000  6560.04  809.085  ?   ?   709.309   45.925 0.000000 45.92457 
1 1 1   -5   10   23 f  214.635   11.120  578.303   59.395  594.047  106.117  571.121   71.674  216.298   19.868  213.017   13.544 3.280441 24.04596 
1 1 1   -5   10   24 o  249.459   11.947  779.806   74.423  810.044  131.957  765.701   90.125  252.432   21.128  246.533   14.706 5.899384 25.74185 
1 1 1   -5   10   25 o  453.676   17.187  2592.04  194.718  2764.55  339.541  2507.51  237.687  463.837   29.467  445.176   21.381 18.66159 36.40658 
1 1 1   -5   10   26 o  235.367   12.066  696.877   70.681  565.437  125.495  757.943   85.538  209.371   24.464  245.177   14.029 -35.80586 28.20124 
1 1 1   -5   10   27 o  419.681   16.735  2222.69  175.382  2048.31  305.787  2308.17  214.096  396.679   31.119  426.680   20.094 -30.00058 37.04254 
1 1 1   -5   10   28 o  427.858   19.811  2323.60  211.671  2575.84  303.030  2083.26  295.798  446.464   27.311  400.039   29.825 46.42535 40.44019 
1 1 1   -5   10   29 o  125.925   13.659  201.949   42.262  161.021   68.785  226.769   53.565  109.837   25.558  132.971   16.485 -23.13465 30.41353 
1 1 1   -5   10   30 o   76.449   12.549   75.405   23.126   74.978   56.275   75.492   25.367   77.499   25.295   76.261   13.829 1.237907 28.82840 
1 1 1   -5   10   31 o  251.814   12.769  800.132   80.032  685.423  144.932  850.456   95.996  229.263   25.761  259.149   14.896 -29.88606 29.75799 
1 1 1   -5   10   32 o  167.029   11.690  352.453   48.451  249.311   94.985  388.729   56.331  136.086   28.846  175.227   12.966 -39.14128 31.62619 
1 1 1   -5   10   33 o  282.905   13.603  1009.01   96.100  819.652  174.609  1091.30  115.100  249.533   28.534  293.323   15.772 -43.79015 32.60297 
1 1 1   -5   10   34 o  220.787   12.201  615.396   67.009  604.024  132.352  619.316   77.703  214.984   25.127  221.077   14.149 -6.092072 28.83703 
1 1 1   -5   10   36 f  167.608   10.699  354.584   44.548  564.261  105.834  309.434   49.111  209.014   20.542  156.165   12.704 52.84860 24.15286 
1 1 1   -5   10   37 o  182.053   11.759  419.285   53.172  445.903  117.740  412.465   59.596  183.161   26.513  180.224   13.337 2.936829 29.67844 
1 1 1   -5   10   38 o  163.363   11.902  338.473   48.220  273.853  114.467  352.414   53.167  139.890   33.256  166.491   12.888 -26.60092 35.66573 
1 1 1   -5   10   39 o  208.824   11.520  552.459   59.843  704.817  136.769  516.384   66.551  230.703   24.096  201.379   13.309 29.32330 27.52695 
1 1 1   -5   10   40 o  133.716   15.134  231.292   49.645  318.344  112.898  210.423   55.276  150.032   31.153  126.556   17.998 23.47562 35.97776 
1 1 1   -5   10   41 o  347.037   15.344  1548.06  132.971  1507.25  254.349  1563.40  155.984  326.698   31.570  346.411   18.095 -19.71338 36.38821 
1 1 1   -5   10   42 o  199.271   12.275  508.702   60.785  507.856  148.019  508.874   66.666  185.458   33.179  198.775   13.511 -13.31725 35.82459 
1 1 1   -5   10   43 o   93.665   12.866  114.566   29.299  191.138  122.476  109.918   30.176  110.055   37.351   91.472   13.626 18.58324 39.75922 
1 1 1   -5   10   44 o   90.761   13.045  108.170   28.717   69.079  132.159  110.107   29.420   84.796   35.961   91.512   13.260 -6.716042 38.32740 
1 1 1   -5   10   45 o   38.746   16.267   5.2258   26.610 -117.1938  133.023   10.329   27.159   62.159   29.804   41.002   16.748 21.15697 34.18745 
1 1 1   -5   10   46 o   97.802   12.641  125.821   30.150  428.592  163.096  115.108   30.678  152.592   41.641   93.119   13.594 59.47216 43.80337 
1 1 1   -5   10   47 o  177.412   12.369  411.272   54.456  622.433  198.385  394.065   56.631  176.774   44.865  173.115   13.199 3.658569 46.76612 
1 1 1   -5   11    1 f  608.153   18.929  4643.14  287.472  4777.57  406.677  4508.87  406.418  615.300   26.467  597.561   27.236 17.73920 37.97775 
1 1 1   -5   11    2 o  427.700   14.208  2291.14  151.745  2348.26  214.611  2234.02  214.588  432.357   19.877  421.644   20.380 10.71356 28.46868 
1 1 1   -5   11    3 o  549.040   17.343  3781.54  237.782  4025.52  336.529  3538.30  336.020  565.298   23.839  529.669   25.404 35.62903 34.83825 
1 1 1   -5   11    4 o  160.103   12.164  322.643   48.270  314.696   68.163  330.638   68.367  157.399   17.645  161.447   17.224 -4.047485 24.65802 
1 1 1   -5   11    5 o  110.179   11.946  153.692   32.341  162.871   45.306  144.155   46.182  112.779   16.582  105.704   18.149 7.074722 24.58393 
1 1 1   -5   11    6 o  296.071   10.911  1096.55   80.670  1062.25  113.916  1131.06  114.255  290.685   15.752  300.035   15.300 -9.349945 21.95951 
1 1 1   -5   11    7 o  357.042   12.426  1595.53  110.788  1608.11  156.617  1582.92  156.740  358.022   17.518  355.191   17.671 2.830048 24.88262 
1 1 1   -5   11    8 o  457.970   14.957  2627.72  171.052  2588.27  241.814  2667.23  241.993  453.717   21.343  460.632   21.038 -6.914368 29.96814 
1 1 1   -5   11    9 o  283.390   12.379  1005.03   87.607  1096.78  152.054  959.443  107.185  294.714   20.794  276.268   15.600 18.44629 25.99556 
1 1 1   -5   11   10 f  211.653   10.842  561.745   57.109  557.617   69.464  570.355  100.320  210.646   13.273  212.320   19.126 -1.674637 23.28090 
1 1 1   -5   11   11 o  481.321   15.483  2902.33  186.095  2893.94  263.129  2910.73  263.228  479.812   21.961  481.210   21.905 -1.398102 31.01786 
1 1 1   -5   11   12 o  472.919   15.370  2801.48  181.514  2702.96  256.420  2900.42  256.981  463.733   22.143  480.475   21.418 -16.74194 30.80642 
1 1 1   -5   11   13 o  354.334   12.305  1570.80  108.882  1524.50  153.861  1617.26  154.103  348.247   17.751  359.193   17.180 -10.94580 24.70387 
1 1 1   -5   11   14 o  559.485   17.650  3924.29  246.593  3924.86  348.711  3923.73  348.761  558.386   25.008  558.304   25.015 0.8215332E-01 35.37188 
1 1 1   -5   11   15 o  641.147   20.023  5159.34  320.584  5064.44  453.183  5254.39  453.566  633.507   28.646  645.397   28.143 -11.88965 40.15747 
1 1 1   -5   11   16 o  363.994   12.291  1657.55  111.716  1623.98  157.880  1691.21  158.101  359.920   17.566  367.322   17.236 -7.401886 24.60981 
1 1 1   -5   11   17 o  412.794   13.951  2133.11  143.814  2167.35  203.332  2098.83  203.436  415.571   19.593  408.914   19.923 6.657227 27.94299 
1 1 1   -5   11   18 o  412.871   13.863  2134.04  142.934  2170.21  202.113  2097.84  202.167  415.820   19.464  408.791   19.804 7.029297 27.76809 
1 1 1   -5   11   19 o  267.331   10.688  893.808   71.348  889.975  100.705  897.672  101.100  266.098   15.218  267.250   15.212 -1.151917 21.51736 
1 1 1   -5   11   20 o  204.356   9.4275  522.164   48.110  485.947   67.738  559.028   68.340  196.493   13.895  210.911   13.040 -14.41814 19.05494 
1 1 1   -5   11   21 o  468.288   22.075  2761.68  258.146  3114.26  364.579  2407.19  365.569  494.744   29.646  433.404   34.051 61.33960 45.14857 
1 1 1   -5   11   22 o  371.871   18.720  1743.08  173.285  2137.36  244.630  1346.01  245.497  410.710   23.956  323.913   30.718 86.79614 38.95473 
1 1 1   -5   11   23 o  174.350   10.501  381.874   45.506  391.283   82.452  377.753   54.570  175.278   19.149  173.158   12.709 2.119644 22.98255 
1 1 1   -5   11   24 o  645.447   23.401  5276.06  377.185  5374.91  654.595  5226.92  461.500  640.965   41.113  640.081   28.873 0.8837891 50.23885 
1 1 1   -5   11   25 f  251.398   12.484  792.812   78.371  608.868  137.901  880.564   95.248  217.199   25.938  264.344   14.484 -47.14531 29.70808 
1 1 1   -5   11   26 o  229.231   12.098  661.202   69.008  521.019  122.727  726.015   83.450  200.678   25.035  239.931   13.989 -39.25308 28.67779 
1 1 1   -5   11   27 o  396.768   16.172  1985.47  160.238  1707.50  279.329  2121.81  195.626  361.857   31.218  409.345   19.138 -47.48801 36.61676 
1 1 1   -5   11   28 o  294.818   12.753  1092.76   93.892  1220.18  167.369  1034.24  113.421  308.764   21.848  285.832   15.954 22.93259 27.05295 
1 1 1   -5   11   29 o  203.448   13.831  523.646   69.853  526.708  105.036  521.218   93.536  202.320   21.100  201.876   18.769 0.4449768 28.23996 
1 1 1   -5   11   30 f   67.891   13.546   60.073   22.160   79.444   54.825   56.290   24.227   78.944   24.892   65.501   15.118 13.44302 29.12341 
1 1 1   -5   11   31 o  274.464   12.800  948.192   87.728  957.271  158.669  944.195  105.284  272.239   23.572  272.947   15.511 -0.7084351 28.21748 
1 1 1   -5   11   32 o  131.202   11.920  218.232   38.627  139.815   79.887  242.158   44.128  102.308   29.589  138.084   12.949 -35.77646 32.29836 
1 1 1   -5   11   33 o  254.542   12.615  815.706   80.188  743.548  148.346  845.493   95.312  238.891   25.250  258.330   14.837 -19.43846 29.28639 
1 1 1   -5   11   34 o  337.703   17.806  1452.09  149.629   0.0000   0.0000  1452.09  149.629  ?   ?   337.703   17.806 0.000000 17.80606 
1 1 1   -5   11   35 o  240.789   14.656  735.304   87.708   0.0000   0.0000  735.304   87.708  ?   ?   240.789   14.656 0.000000 14.65630 
1 1 1   -5   11   36 o  166.315   19.508  357.661   79.482   0.0000   0.0000  357.661   79.482  ?   ?   166.315   19.508 0.000000 19.50816 
1 1 1   -5   11   37 o  458.842   17.642  2681.80  202.142  2867.45  362.025  2597.71  243.663  463.713   31.450  449.305   21.717 14.40802 38.21905 
1 1 1   -5   11   38 f  117.079   12.260  174.854   35.312  233.224  100.537  166.640   37.714  129.672   31.385  114.002   13.511 15.67023 34.16987 
1 1 1   -5   11   39 o  373.261   15.115  1773.68  140.884  1903.06  262.432  1721.30  166.987  377.032   28.074  366.091   18.266 10.94101 33.49363 
1 1 1   -5   11   40 o  204.851   11.876  533.182   60.492  659.860  139.133  503.655   67.173  221.426   25.636  198.532   13.632 22.89455 29.03536 
1 1 1   -5   11   41 o  174.898   16.028  396.771   69.222  333.976  131.919  420.630   81.317  149.865   35.750  179.061   18.450 -29.19609 40.23015 
1 1 1   -5   11   42 o  160.144   11.904  328.424   47.267  328.363  129.134  328.433   50.791  146.902   35.579  159.824   12.834 -12.92168 37.82303 
1 1 1   -5   11   43 o   87.427   13.469  100.385   28.462   8.7640  119.435  105.902   29.306   74.337   32.823   89.841   13.479 -15.50459 35.48259 
1 1 1   -5   11   44 o   95.033   12.985  118.262   30.009  -1.3827  128.304  125.186   30.866   74.122   33.288   97.829   12.953 -23.70670 35.71960 
1 1 1   -5   11   45 o   47.141   14.984   28.798   19.836   50.364  136.076   28.329   20.050   81.822   35.610   46.894   15.082 34.92752 38.67195 
1 1 1   -5   11   46 o   87.350   19.559  107.140   41.602   92.382  166.218  108.126   42.970   89.930   39.242   87.529   20.085 2.401276 44.08374 
1 1 1   -5   11   47 o   75.527   13.974   76.929   25.386   98.217  164.540   76.410   25.693   88.291   38.771   75.178   14.207 13.11343 41.29238 
1 1 1   -5   11   48 o  127.598   12.393  214.466   38.990  245.758  190.813  213.103   39.830  104.913   43.768  127.010   12.729 -22.09769 45.58155 
1 1 1   -5   12    1 o  253.356   9.7394  802.588   61.619  793.495   87.116  811.692   87.168  251.348   13.934  254.239   13.781 -2.890762 19.59794 
1 1 1   -5   12    2 o  300.950   11.040  1132.91   82.969  1132.56  117.254  1133.26  117.419  300.221   15.694  300.313   15.712 -0.9143066E-01 22.20757 
1 1 1   -5   12    3 o  563.013   17.897  3976.65  251.624  3972.04  355.770  3981.26  355.929  561.346   25.380  562.001   25.362 -0.6550903 35.87950 
1 1 1   -5   12    4 o  288.221   10.833  1039.03   77.972  1060.14  110.187  1017.86  110.350  290.491   15.243  284.583   15.587 5.907959 21.80147 
1 1 1   -5   12    5 o  318.224   11.528  1266.90   91.609  1276.92  129.461  1256.85  129.648  318.753   16.319  316.211   16.476 2.542358 23.18958 
1 1 1   -5   12    6 o  176.466   12.673  391.734   55.474  398.166   77.843  385.096   79.077  177.279   17.825  174.221   18.457 3.058212 25.65946 
1 1 1   -5   12    7 o  183.765   12.607  424.601   57.505  385.605   80.702  464.822   81.960  174.282   18.843  191.755   17.303 -17.47224 25.58196 
1 1 1   -5   12    8 o  203.767   13.109  521.851   66.353  484.278   93.326  560.258   94.357  195.469   19.375  210.562   18.121 -15.09273 26.52852 
1 1 1   -5   12    9 o  374.638   12.894  1756.57  120.630  1803.30  170.665  1709.92  170.529  379.163   18.025  368.703   18.581 10.46021 25.88718 
1 1 1   -5   12   10 o  156.283   8.6567  306.216   33.653  307.626   47.075  304.741   48.126  156.334   12.154  155.559   12.494 0.7750549 17.43065 
1 1 1   -5   12   11 o  191.340   8.7527  457.601   41.821  460.216   59.025  454.966   59.264  191.384   12.417  190.272   12.543 1.112167 17.65003 
1 1 1   -5   12   12 o  468.775   15.349  2752.50  179.684  2769.92  254.086  2735.08  254.136  469.518   21.671  466.537   21.814 2.981232 30.74846 
1 1 1   -5   12   13 o  246.699   9.9933  760.909   61.564  874.547   87.222  648.088   86.909  264.349   13.213  226.949   15.427 37.40013 20.31162 
1 1 1   -5   12   14 o  210.380   9.3875  553.272   49.318  628.407   69.887  478.740   69.606  223.757   12.558  195.017   14.395 28.74022 19.10283 
1 1 1   -5   12   15 o  245.559   9.8173  753.855   60.200  685.645   84.850  822.991   85.424  233.550   14.622  256.082   13.405 -22.53191 19.83691 
1 1 1   -5   12   16 o  119.415   8.7409  179.186   25.884  183.483   36.421  174.800   36.794  120.480   12.277  117.506   12.743 2.973732 17.69524 
1 1 1   -5   12   17 o  238.130   9.8514  708.977   58.582  684.428   82.631  733.786   83.066  233.368   14.247  241.711   13.819 -8.343628 19.84832 
1 1 1   -5   12   18 o  275.773   10.747  951.156   74.009  916.503  104.337  986.247  104.995  270.014   15.540  280.188   15.061 -10.17349 21.64077 
1 1 1   -5   12   19 o  352.899   12.585  1558.77  110.905  1576.81  156.722  1540.68  156.965  354.512   17.703  349.940   18.023 4.572205 25.26337 
1 1 1   -5   12   20 o  236.245   10.142  698.066   59.830  684.266   84.384  712.016   84.842  233.235   14.561  237.960   14.345 -4.724976 20.44003 
1 1 1   -5   12   21 o  480.084   22.494  2905.15  269.677  3067.69  380.486  2741.07  382.282  490.253   31.242  462.616   33.314 27.63757 45.67151 
1 1 1   -5   12   22 o  339.083   17.730  1449.02  149.607  1828.52  210.979  1065.19  212.179  380.047   22.329  287.896   29.952 92.15161 37.35866 
1 1 1   -5   12   23 o  159.370   9.6641  319.000   38.279  322.698   53.971  315.257   54.300  159.831   13.653  157.930   13.911 1.901474 19.49143 
1 1 1   -5   12   24 o  473.847   18.164  2828.69  214.935  2746.47  373.258  2869.48  262.896  461.312   32.612  476.230   22.106 -14.91809 39.39796 
1 1 1   -5   12   25 o  182.128   11.434  417.470   51.740  317.832   92.780  462.441   62.332  156.301   24.582  191.496   13.114 -35.19475 27.86132 
1 1 1   -5   12   26 o  154.995   10.338  302.412   39.784  373.774   75.252  274.730   46.869  171.158   17.870  147.353   12.866 23.80495 22.01999 
1 1 1   -5   12   27 o  423.725   16.735  2266.54  177.075  2171.57  308.645  2313.14  216.195  408.608   30.467  426.967   20.277 -18.35843 36.59800 
1 1 1   -5   12   28 o  226.782   12.040  647.950   67.938  577.220  122.106  679.662   81.761  211.291   23.542  231.884   14.188 -20.59306 27.48719 
1 1 1   -5   12   29 o  141.324   10.759  252.127   37.684  316.717   74.961  230.284   43.592  156.746   19.578  134.652   13.131 22.09474 23.57380 
1 1 1   -5   12   30 o  265.178   15.639  891.256  103.101  853.838  151.117  923.841  141.020  257.029   23.815  268.353   21.217 -11.32379 31.89501 
1 1 1   -5   12   31 o  397.682   15.749  1998.93  156.397  2144.72  275.944  1929.94  189.831  406.166   27.366  389.000   19.605 17.16611 33.66349 
1 1 1   -5   12   32 o  122.659   11.811  190.898   35.730  187.813   77.783  191.723   40.225  118.260   26.941  122.655   13.348 -4.395775 30.06604 
1 1 1   -5   12   33 o  136.875   11.986  237.433   40.555  202.401   89.264  246.545   45.524  122.237   29.566  139.272   13.249 -17.03508 32.39885 
1 1 1   -5   12   34 o  484.422   34.645  3131.84  416.335  3131.84  416.335   0.0000   0.0000  484.422   34.645  ?   ?  0.000000 34.64532 
1 1 1   -5   12   35 o  360.125   15.558  1641.33  139.910  1435.52  251.061  1734.04  168.499  329.139   30.908  369.216   18.275 -40.07764 35.90643 
1 1 1   -5   12   36 o  185.215   13.150  434.815   60.427   0.0000   0.0000  434.815   60.427  ?   ?   185.215   13.150 0.000000 13.15043 
1 1 1   -5   12   37 o  358.643   26.783  1687.92  238.141   0.0000   0.0000  1687.92  238.141  ?   ?   358.643   26.783 0.000000 26.78343 
1 1 1   -5   12   38 o  274.335   13.251  951.595   90.780  977.574  176.929  942.312  105.763  271.979   26.382  271.900   15.643 0.7925415E-01 30.67094 
1 1 1   -5   12   39 o  138.564   12.126  244.477   41.538  242.347  109.951  244.832   44.862  130.852   33.504  138.434   13.135 -7.581924 35.98661 
1 1 1   -5   12   40 o  214.986   11.795  586.764   63.080  780.222  144.359  541.107   70.130  242.015   24.211  205.822   13.723 36.19315 27.83006 
1 1 1   -5   12   41 o  276.505   13.369  974.775   92.313  1007.13  188.680  964.594  105.846  270.388   28.367  273.658   15.553 -3.270874 32.35060 
1 1 1   -5   12   42 o  177.592   15.077  408.943   66.230  599.457  140.627  354.642   75.077  206.848   27.940  163.665   18.706 43.18323 33.62337 
1 1 1   -5   12   43 o  126.872   11.874  207.256   37.181  352.029  130.059  194.372   38.800  151.158   35.124  122.506   12.876 28.65240 37.41010 
1 1 1   -5   12   44 o   42.051   14.692   20.819   18.996   71.052  126.127   19.653   19.215   84.700   35.480   41.451   14.750 43.24841 38.42443 
1 1 1   -5   12   45 o  125.752   12.259  205.191   38.008  187.046  148.612  206.462   39.315  106.369   40.457  125.986   12.668 -19.61616 42.39425 
1 1 1   -5   12   46 o   97.079   13.007  124.061   30.740   33.209  154.536  127.803   31.366   81.525   36.579   98.529   13.071 -17.00362 38.84378 
1 1 1   -5   12   47 f   81.729   20.623   95.751   42.089   0.0000   0.0000   95.751   42.089  ?   ?    81.729   20.623 0.000000 20.62259 
1 1 1   -5   12   48 o   98.159   13.153  128.263   31.431   6.9540  178.074  132.163   31.932   78.291   36.613   99.661   13.152 -21.36926 38.90369 
1 1 1   -5   13    1 o  646.826   28.056  5286.40  453.178  5970.60  642.013  4606.97  639.773  683.164   37.780  597.608   43.161 85.55554 57.35998 
1 1 1   -5   13    2 o   96.001   8.6595  116.138   20.536  110.263   28.914  122.118   29.172   92.994   12.790   98.039   12.178 -5.044785 17.66004 
1 1 1   -5   13    3 o   88.545   8.4272   98.882   18.409   66.748   25.714  132.668   26.367   71.683   14.853  102.467   10.451 -30.78426 18.16111 
1 1 1   -5   13    4 o  369.616   12.826  1709.90  118.380  1751.36  167.349  1668.37  167.482  373.641   17.936  364.167   18.477 9.474060 25.75073 
1 1 1   -5   13    5 o  516.636   16.569  3345.99  213.766  3350.18  302.142  3341.79  302.479  515.929   23.452  515.273   23.508 0.6558838 33.20509 
1 1 1   -5   13    6 o  164.274   8.7257  338.267   35.667  347.596   50.097  328.677   50.791  166.231   12.153  161.563   12.691 4.668564 17.57135 
1 1 1   -5   13    7 o  379.432   13.101  1802.01  124.129  1889.41  175.503  1714.52  175.588  388.091   18.109  369.108   19.115 18.98270 26.33132 
1 1 1   -5   13    8 o  430.343   20.334  2325.91  218.514   0.0000   0.0000  2325.91  218.514  ?   ?   430.343   20.334 0.000000 20.33360 
1 1 1   -5   13    9 o  286.109   22.052  1035.03  156.337  1035.03  156.337   0.0000   0.0000  286.109   22.052  ?   ?  0.000000 22.05166 
1 1 1   -5   13   10 o  741.224   32.346  6959.52  598.709  6469.02  845.579  7452.64  847.831  707.015   48.180  760.837   44.822 -53.82227 65.80544 
1 1 1   -5   13   11 o  742.030   32.694  6975.90  605.809  6979.89  856.430  6971.90  857.058  735.287   46.887  734.834   46.951 0.4538574 66.35358 
1 1 1   -5   13   12 o  267.539   10.500  895.050   70.147  879.760   99.051  910.435   99.355  264.609   15.052  269.221   14.836 -4.611847 21.13453 
1 1 1   -5   13   13 o  777.765   23.945  7611.97  465.067  7602.33  657.651  7621.62  657.758  774.224   34.016  775.219   33.977 -0.9947510 48.07838 
1 1 1   -5   13   14 o  346.021   12.221  1498.00  105.600  1648.10  149.475  1348.43  149.208  362.639   16.506  327.370   18.325 35.26849 24.66298 
1 1 1   -5   13   15 o  354.101   12.461  1568.94  110.183  1553.17  155.618  1584.80  156.027  351.481   17.788  355.509   17.575 -4.027832 25.00586 
1 1 1   -5   13   16 o  291.107   10.931  1059.89   79.463  1007.24  112.107  1113.05  112.649  283.073   15.924  297.699   15.204 -14.62592 22.01654 
1 1 1   -5   13   17 o  277.920   10.586  965.989   73.465  905.870  103.537  1026.95  104.258  268.437   15.512  285.969   14.649 -17.53217 21.33535 
1 1 1   -5   13   18 o  545.674   17.383  3735.14  236.865  3686.20  334.761  3784.21  335.195  540.791   24.789  547.994   24.495 -7.203491 34.84927 
1 1 1   -5   13   19 o  351.000   12.519  1542.27  109.727  1541.04  155.008  1543.50  155.346  349.953   17.796  350.228   17.821 -0.2758484 25.18525 
1 1 1   -5   13   20 o  424.224   16.598  2258.29  175.839  2579.22  304.276  2097.37  215.458  450.703   27.162  407.645   21.239 43.05865 34.47996 
1 1 1   -5   13   21 o  301.049   16.490  1141.18  123.494  1515.05  174.082  762.411  175.217  346.335   20.216  243.308   29.437 103.0268 35.71033 
1 1 1   -5   13   22 o  345.680   17.476  1506.07  150.365  1479.29  210.723  1533.85  214.627  340.944   24.923  347.207   24.920 -6.263031 35.24397 
1 1 1   -5   13   23 o  214.113   11.870  576.212   63.218  592.796   76.928  541.718  110.945  216.866   14.285  205.918   21.912 10.94772 26.15732 
1 1 1   -5   13   24 o  270.454   10.714  916.309   72.361  901.168  102.249  931.500  102.418  267.310   15.383  271.826   15.148 -4.515991 21.58925 
1 1 1   -5   13   25 o  193.698   10.964  471.787   52.816  498.681   94.679  459.637   63.639  197.717   19.427  190.839   13.440 6.878784 23.62251 
1 1 1   -5   13   26 o  355.328   14.713  1588.98  130.554  1610.01  227.903  1578.71  159.278  353.854   25.973  353.010   18.130 0.8436279 31.67447 
1 1 1   -5   13   27 o  258.798   12.499  841.571   80.777  775.348  143.191  872.482   97.829  245.362   23.663  262.734   14.973 -17.37227 28.00250 
1 1 1   -5   13   28 o   91.336   12.497  106.784   27.756  119.653   58.511  103.047   31.529   94.884   24.518   89.293   14.648 5.590668 28.56050 
1 1 1   -5   13   29 o   90.830   12.495  105.657   27.591  104.888   60.870  105.856   30.954   89.260   25.832   90.608   14.142 -1.348457 29.44998 
1 1 1   -5   13   30 o  145.944   10.007  268.469   36.249  430.844   76.248  221.053   41.203  183.776   16.800  131.955   12.660 51.82056 21.03610 
1 1 1   -5   13   31 o  586.528   25.910  4439.15  379.500  4950.88  541.373  3944.73  532.135  609.755   35.710  540.099   39.734 69.65668 53.42250 
1 1 1   -5   13   32 o  449.288   17.312  2559.04  194.237  2688.41  341.882  2497.37  236.031  452.551   30.429  442.093   21.380 10.45767 37.18911 
1 1 1   -5   13   33 o  217.969   12.198  599.652   66.130  532.883  126.047  625.011   77.680  201.723   25.598  222.155   14.075 -20.43175 29.21276 
1 1 1   -5   13   34 o  326.335   14.064  1343.86  114.611  1345.58  208.134  1343.12  137.303  321.461   26.155  325.042   16.975 -3.580994 31.18009 
1 1 1   -5   13   35 o  315.378   14.382  1256.33  113.268  1129.01  206.517  1311.11  135.461  292.846   28.605  321.037   16.957 -28.19150 33.25369 
1 1 1   -5   13   36 f  196.449   11.875  487.608   57.979  501.569  121.841  483.521   65.921  195.209   25.613  195.263   13.604 -0.5401611E-01 29.00142 
1 1 1   -5   13   37 o  254.046   14.789  819.764   93.416   0.0000   0.0000  819.764   93.416  ?   ?   254.046   14.789 0.000000 14.78903 
1 1 1   -5   13   38 o  394.147   21.748  2010.95  213.226  1735.51  312.796  2250.05  291.430  355.620   35.705  411.853   28.512 -56.23318 45.69196 
1 1 1   -5   13   39 o   79.507   14.254   82.581   27.261  110.140  102.174   80.469   28.286   94.425   33.970   78.297   15.013 16.12801 37.13958 
1 1 1   -5   13   40 o  208.285   12.370  551.666   64.053  563.719  143.665  548.676   71.559  202.587   29.245  207.225   13.909 -4.637344 32.38408 
1 1 1   -5   13   41 o  127.341   12.288  207.823   38.590  151.277  115.763  214.893   40.931  104.126   36.276  129.356   12.841 -25.22997 38.48193 
1 1 1   -5   13   42 o   96.088   13.446  120.245   31.381  -1.4990  113.020  130.414   32.665   72.345   31.937  100.152   13.397 -27.80753 34.63295 
1 1 1   -5   13   43 o  180.244   16.376  426.016   72.905  387.286  146.872  438.679   83.982  156.520   37.966  181.579   18.793 -25.05844 42.36251 
1 1 1   -5   13   44 o   83.577   13.174   91.906   26.584  203.166  130.770   87.110   27.151  111.981   38.582   81.095   13.908 30.88565 41.01196 
1 1 1   -5   13   45 o   94.200   12.751  116.224   29.225  107.244  142.185  116.620   29.862   92.004   38.031   94.268   13.034 -2.264359 40.20264 
1 1 1   -5   13   46 o  170.640   11.865  376.503   50.245  708.215  175.780  346.988   52.433  211.189   34.524  163.240   12.969 47.94946 36.87974 
1 1 1   -5   13   47 o   67.434   14.898   62.004   24.419  118.064  165.920   60.763   24.687   92.079   39.696   66.663   15.171 25.41667 42.49638 
1 1 1   -5   13   48 o  148.321   19.582  308.020   70.755   0.0000   0.0000  308.020   70.755  ?   ?   148.321   19.582 0.000000 19.58202 
1 1 1   -5   14    1 o  791.426   23.730  7892.39  468.990  8198.40  663.656  7587.12  662.848  803.182   33.089  772.121   34.378 31.06042 47.71468 
1 1 1   -5   14    2 o  153.031   11.898  294.816   45.112  302.354   63.524  287.146   64.076  154.376   16.747  150.300   17.393 4.075745 24.14487 
1 1 1   -5   14    3 o  278.188   14.239  971.818   98.586  734.318  138.563  1215.30  140.296  240.390   23.378  310.668   18.163 -70.27773 29.60474 
1 1 1   -5   14    4 o  426.370   14.255  2276.85  151.776  2295.92  214.582  2257.75  214.706  427.502   20.100  423.910   20.282 3.591949 28.55527 
1 1 1   -5   14    5 o  362.516   12.487  1644.71  113.044  1606.19  159.708  1683.37  160.029  357.810   17.874  366.343   17.493 -8.532745 25.00965 
1 1 1   -5   14    6 o  536.644   17.196  3611.50  230.437  3722.04  325.966  3501.07  325.809  543.673   24.010  527.148   24.750 16.52460 34.48235 
1 1 1   -5   14    7 o  149.915   10.125  282.311   37.682  253.152   63.984  297.794   46.625  140.823   18.654  153.783   12.242 -12.96024 22.31243 
1 1 1   -5   14    8 o  462.082   17.549  2677.87  202.495  2762.13  247.662  2507.95  351.705  468.824   21.154  443.812   31.948 25.01196 38.31683 
1 1 1   -5   14    9 o  311.568   11.520  1214.38   89.628  1257.05  126.633  1171.54  126.874  316.306   16.085  305.253   16.708 11.05304 23.19210 
1 1 1   -5   14   10 o  201.126   9.1561  505.681   45.986  497.054   64.666  514.507   65.409  198.851   13.096  202.335   13.014 -3.484039 18.46297 
1 1 1   -5   14   11 o  626.416   19.575  4926.10  306.212  5008.11  432.944  4844.00  433.154  629.945   27.522  619.422   28.003 10.52350 39.26353 
1 1 1   -5   14   12 o  641.955   28.600  5205.25  458.474  5505.06  648.463  4905.60  648.298  655.551   39.800  617.684   42.284 37.86639 58.06920 
1 1 1   -5   14   13 o  375.972   18.510  1773.57  173.787  1830.31  245.073  1716.17  246.476  380.188   25.969  367.871   27.020 12.31683 37.47578 
1 1 1   -5   14   14 o  821.770   35.884  8588.24  736.382  9225.81  1042.06  7952.27  1040.74  843.404   49.697  780.372   53.734 63.03259 73.19218 
1 1 1   -5   14   15 o  806.268   35.449  8266.51  713.722  8326.59  1008.82  8206.30  1009.89  800.205   50.748  794.101   51.200 6.103027 72.08846 
1 1 1   -5   14   16 f  822.768   29.323  8562.23  602.474  8683.36  1043.29  8501.63  737.955  816.337   51.441  817.122   36.165 -0.7856445 62.88202 
1 1 1   -5   14   17 o  693.215   24.909  6058.90  431.200  6375.16  746.894  5900.80  528.098  703.297   42.730  682.297   30.995 20.99976 52.78759 
1 1 1   -5   14   18 o  364.892   14.849  1668.59  135.304  1730.06  233.426  1637.48  166.043  369.389   25.461  360.643   18.499 8.745728 31.47205 
1 1 1   -5   14   19 o  416.678   20.213  2183.88  210.325  2450.45  296.769  1914.86  298.126  439.265   27.188  387.048   31.108 52.21686 41.31449 
1 1 1   -5   14   20 o  299.280   16.571  1127.86  123.366  1373.48  173.340  875.754  175.612  329.534   21.177  261.549   27.289 67.98468 34.54207 
1 1 1   -5   14   21 o  272.542   15.926  935.749  107.921  1191.42  151.314  671.037  153.966  306.952   19.847  228.359   27.556 78.59334 33.95960 
1 1 1   -5   14   22 o  215.897   14.072  587.256   75.453  640.323  104.172  528.691  109.437  224.736   18.733  203.452   21.884 21.28336 28.80709 
1 1 1   -5   14   23 o  246.957   12.121  764.552   74.751  775.196   90.881  742.291  131.431  248.002   14.741  241.256   22.060 6.746674 26.53180 
1 1 1   -5   14   24 o  131.163   8.9735  216.337   29.215  212.923   40.900  219.894   41.745  129.639   12.801  131.756   12.851 -2.117035 18.13914 
1 1 1   -5   14   25 o  224.572   9.7151  631.753   54.482  624.147   77.025  639.368   77.074  222.406   13.939  225.138   13.775 -2.732727 19.59734 
1 1 1   -5   14   26 o  277.220   12.699  965.499   87.909  931.038  154.725  981.926  106.826  269.354   23.230  278.750   15.406 -9.395935 27.87477 
1 1 1   -5   14   27 o  339.059   14.610  1448.27  123.705  1244.77  215.746  1547.95  150.990  309.450   28.230  349.912   17.280 -40.46274 33.09863 
1 1 1   -5   14   28 o  190.884   11.638  459.386   55.212  309.555   98.969  527.084   66.526  152.945   26.894  204.262   13.111 -51.31615 29.92030 
1 1 1   -5   14   29 o  319.965   13.861  1289.85  110.752  1248.45  195.508  1309.42  134.396  310.570   25.432  321.285   16.810 -10.71484 30.48520 
1 1 1   -5   14   30 o  266.273   12.445  891.968   82.753  907.293  149.053  885.139   99.496  265.342   22.714  264.359   15.134 0.9827881 27.29407 
1 1 1   -5   14   31 o  548.551   25.078  3876.11  343.530  4098.91  489.916  3660.60  481.836  554.648   35.559  522.540   37.168 32.10779 51.43829 
1 1 1   -5   14   32 o  239.547   20.382  736.707  120.762   0.0000   0.0000  736.707  120.762  ?   ?   239.547   20.382 0.000000 20.38160 
1 1 1   -5   14   33 o  306.047   25.481  1216.82  192.972  1216.82  192.972   0.0000   0.0000  306.047   25.481  ?   ?  0.000000 25.48120 
1 1 1   -5   14   34 o  174.031   11.747  382.680   50.751  377.780  104.800  384.181   58.006  169.275   25.591  174.055   13.450 -4.780670 28.91033 
1 1 1   -5   14   35 o  240.070   12.675  728.104   75.717  694.995  146.470  740.178   88.453  230.320   25.917  241.568   14.733 -11.24828 29.81172 
1 1 1   -5   14   36 f  192.979   11.431  470.199   54.843  585.465  119.972  439.749   61.663  212.105   23.020  186.223   13.348 25.88147 26.61030 
1 1 1   -5   14   37 o  113.715   12.951  165.232   36.121  179.142   99.553  163.123   38.763  114.290   33.024  112.745   14.075 1.545174 35.89820 
1 1 1   -5   14   38 o   97.989   14.302  124.082   33.966   0.0000   0.0000  124.082   33.966  ?   ?    97.989   14.302 0.000000 14.30229 
1 1 1   -5   14   39 o  111.559   18.912  164.028   50.804  233.678  108.832  144.621   57.448  128.546   33.547  103.531   22.834 25.01505 40.58080 
1 1 1   -5   14   40 o  250.004   13.093  795.547   81.455  750.672  167.550  809.436   93.212  234.211   29.288  251.478   14.909 -17.26720 32.86441 
1 1 1   -5   14   41 o   79.106   14.912   82.578   28.378 -61.5432  110.162   92.821   29.369   64.082   29.563   84.093   14.510 -20.01083 32.93153 
1 1 1   -5   14   42 o  174.669   12.282  390.542   53.229  328.366  137.006  401.596   57.767  146.227   37.377  176.810   13.178 -30.58372 39.63257 
1 1 1   -5   14   43 o   75.056   14.772   75.063   26.702   68.325  124.998   75.385   27.333   85.458   35.519   75.133   15.092 10.32527 38.59231 
1 1 1   -5   14   44 o   91.915   18.520  115.315   41.041 -110.9418  132.271  139.418   43.171   63.609   30.285  101.653   17.647 -38.04393 35.05162 
1 1 1   -5   14   45 o   62.102   15.569   52.328   24.099 -52.0784  141.003   55.469   24.459   70.870   32.954   63.951   15.482 6.919720 36.40951 
1 1 1   -5   14   46 o  151.229   12.302  296.678   46.055  368.437  169.475  290.956   47.855  140.284   43.691  149.455   12.950 -9.170792 45.56948 
1 1 1   -5   14   47 o   46.545   15.164   28.002   20.227 -10.6039  168.235   28.568   20.375   77.981   36.170   46.928   15.215 31.05376 39.24005 
1 1 1   -5   14   48 o  186.123   13.073  454.979   60.376  400.892  204.438  460.147   63.195  130.500   47.886  186.774   13.644 -56.27385 49.79141 
1 1 1   -5   15    1 f  441.518   14.609  2443.50  161.075  2467.37  228.020  2419.72  227.569  442.815   20.621  438.492   20.783 4.322968 29.27671 
1 1 1   -5   15    2 o  236.598   9.9160  700.151   58.586  711.129   83.084  689.295   82.625  237.829   14.052  234.120   14.200 3.708817 19.97723 
1 1 1   -5   15    3 o  332.584   12.016  1384.47   99.797  1422.64  141.242  1346.41  141.028  336.747   16.796  327.101   17.327 9.645874 24.13165 
1 1 1   -5   15    4 o  604.786   27.080  4621.93  408.972  4760.36  578.503  4483.62  578.244  609.081   38.229  590.532   39.439 18.54938 54.92561 
1 1 1   -5   15    5 o  467.875   21.666  2753.84  253.142  2665.56  357.695  2842.42  358.299  457.382   31.509  472.667   30.519 -15.28500 43.86604 
1 1 1   -5   15    6 o  160.081   8.7424  321.300   34.816  264.383   48.832  380.144   49.652  144.662   13.680  173.928   11.497 -29.26643 17.86948 
1 1 1   -5   15    7 o  149.330   8.8620  279.747   32.899  271.854   46.348  287.763   46.705  146.820   12.769  151.117   12.489 -4.297546 17.86068 
1 1 1   -5   15    8 o  460.127   15.231  2652.88  175.012  2828.01  247.472  2477.66  247.537  474.332   20.893  443.199   22.439 31.13300 30.65975 
1 1 1   -5   15    9 o  429.815   14.291  2313.82  153.392  2556.93  217.068  2071.33  216.790  451.261   19.263  405.321   21.495 45.94003 28.86352 
1 1 1   -5   15   10 o  499.008   16.136  3121.34  201.070  3195.79  284.209  3046.75  284.503  503.977   22.583  491.988   23.157 11.98886 32.34542 
1 1 1   -5   15   11 o  452.432   14.914  2564.39  168.502  2615.81  238.214  2512.89  238.381  456.209   20.910  447.082   21.352 9.126862 29.88524 
1 1 1   -5   15   12 o  498.283   15.925  3112.00  198.160  3075.02  279.995  3149.11  280.486  494.341   22.682  500.301   22.451 -5.959717 31.91370 
1 1 1   -5   15   13 o  181.488   9.0311  411.772   40.930  415.728   57.255  407.638   58.533  181.807   12.691  179.976   13.114 1.831482 18.24907 
1 1 1   -5   15   14 f  185.282   9.0252  429.176   41.758  403.522   58.409  455.996   59.722  179.053   13.155  190.452   12.629 -11.39992 18.23612 
1 1 1   -5   15   15 o  846.092   36.947  9133.17  780.631  8679.25  1102.64  9589.31  1105.32  813.018   54.628  856.751   51.909 -43.73358 75.35692 
1 1 1   -5   15   16 f  608.057   27.097  4672.63  411.444  4454.37  580.367  4893.16  583.384  588.405   39.731  617.580   38.012 -29.17468 54.98610 
1 1 1   -5   15   17 o  306.726   16.400  1183.52  125.162  1213.19  175.314  1152.67  178.748  309.486   22.846  301.413   23.945 8.073273 33.09546 
1 1 1   -5   15   18 o  412.234   19.961  2137.60  205.483  2526.60  290.317  1747.10  290.877  446.260   26.166  369.294   31.853 76.96558 41.22260 
1 1 1   -5   15   19 o  300.904   15.736  1139.24  117.828  1037.64  164.196  1247.11  169.185  285.814   23.206  313.816   21.723 -28.00272 31.78656 
1 1 1   -5   15   20 o  273.868   15.682  944.600  106.800  1044.68  149.162  839.323  152.988  287.126   20.948  256.532   24.167 30.59418 31.98185 
1 1 1   -5   15   21 o  386.281   19.311  1879.92  186.281  2268.24  262.746  1487.45  264.143  422.316   25.026  339.741   31.492 82.57492 40.22522 
1 1 1   -5   15   22 o  309.567   13.770  1202.63  106.451  1239.00  129.873  1128.19  185.826  313.413   16.654  297.035   25.293 16.37787 30.28354 
1 1 1   -5   15   23 f  337.914   12.341  1432.18  104.139  1463.77  147.166  1400.50  147.385  340.436   17.369  332.884   17.794 7.551727 24.86597 
1 1 1   -5   15   24 o  379.511   13.305  1808.91  126.094  1851.57  178.171  1766.10  178.478  382.885   18.635  373.336   19.209 9.548340 26.76260 
1 1 1   -5   15   25 o  330.490   11.644  1370.58   96.101  1297.54  135.547  1444.41  136.269  320.224   17.012  338.503   16.121 -18.27951 23.43659 
1 1 1   -5   15   26 o  440.797   14.531  2446.78  159.953  2362.61  225.930  2531.37  226.486  431.171   20.983  446.551   20.310 -15.38031 29.20303 
1 1 1   -5   15   27 o  203.731   11.876  523.176   60.160  408.392  107.009  576.220   72.744  176.882   24.917  213.519   13.716 -36.63680 28.44215 
1 1 1   -5   15   28 o   94.566   12.573  114.406   28.954  103.399   58.897  117.913   33.249   88.574   25.345   95.695   14.357 -7.121910 29.12869 
1 1 1   -5   15   29 o  193.565   11.773  472.635   56.636  419.238  102.951  495.808   67.821  179.459   23.541  197.898   13.810 -18.43881 27.29249 
1 1 1   -5   15   30 o  353.368   14.328  1574.99  126.435  1688.30  223.280  1521.52  153.399  361.422   24.891  345.929   17.818 15.49280 30.61120 
1 1 1   -5   15   31 o  597.020   27.719  4624.73  413.253  4719.44  585.845  4530.94  583.021  590.183   39.987  577.438   40.693 12.74573 57.05107 
1 1 1   -5   15   32 o  113.950   15.346  166.945   42.557   99.335   76.572  197.164   51.191   88.928   29.529  123.627   17.034 -34.69934 34.09005 
1 1 1   -5   15   33 o  358.597   17.776  1632.51  159.185  1793.57  232.634  1490.70  218.293  372.029   25.189  338.612   26.015 33.41696 36.21140 
1 1 1   -5   15   34 o  258.745   12.365  842.910   79.897  934.777  150.308  806.731   94.327  269.022   22.583  252.197   15.046 16.82443 27.13631 
1 1 1   -5   15   35 o  142.646   12.158  258.010   42.896  277.551   97.909  253.368   47.720  143.627   28.305  141.052   13.722 2.574738 31.45551 
1 1 1   -5   15   36 o  170.773   11.745  368.833   49.782  321.205  110.837  380.869   55.719  154.039   29.892  173.312   12.968 -19.27315 32.58398 
1 1 1   -5   15   37 o  125.225   12.847  199.895   39.604  177.145  102.285  203.907   42.955  113.710   33.652  126.282   13.848 -12.57212 36.39050 
1 1 1   -5   15   38 o  300.493   14.185  1143.88  106.446  1068.58  202.854  1172.49  125.044  282.749   29.148  303.005   16.589 -20.25598 33.53774 
1 1 1   -5   15   39 o  146.280   21.196  282.245   75.170   0.0000   0.0000  282.245   75.170  ?   ?   146.280   21.196 0.000000 21.19582 
1 1 1   -5   15   40 o   91.721   20.976  113.617   47.000  124.941  111.019  111.144   51.878   98.414   35.409   90.340   22.950 8.073051 42.19624 
1 1 1   -5   15   41 o  185.201   12.578  437.974   57.826  274.476  139.146  472.105   63.576  134.406   39.102  192.052   13.339 -57.64603 41.31484 
1 1 1   -5   15   42 o  124.829   12.843  200.855   39.463  253.516  128.170  195.340   41.478  128.294   37.587  122.804   13.762 5.490501 40.02737 
1 1 1   -5   15   43 o   90.010   13.695  106.272   29.812  234.079  126.666   98.778   30.673  121.683   37.751   86.392   14.747 35.29115 40.52914 
1 1 1   -5   15   44 o  149.462   12.200  288.006   45.139  425.601  148.499  273.999   47.381  163.553   37.199  145.371   13.196 18.18213 39.47012 
1 1 1   -5   15   45 o   99.270   17.659  133.676   42.172  108.726  143.520  136.034   44.120   92.686   38.253   99.854   18.371 -7.167686 42.43534 
1 1 1   -5   15   46 o   95.855   13.574  121.303   31.584  129.817  158.126  120.949   32.233   95.868   39.906   95.586   13.912 0.2821579 42.26160 
1 1 1   -5   15   47 o   50.651   15.835   34.065   22.238   14.894  168.962   34.403   22.433   80.816   37.035   50.884   15.904 29.93264 40.30548 
1 1 1   -5   15   48 o  151.077   13.014  300.050   48.617  187.366  199.299  307.180   50.132  100.094   43.328  152.717   13.278 -52.62290 45.31656 
1 1 1   -5   16    1 o  140.438   8.5255  247.552   29.758  264.797   43.045  231.767   41.184  144.909   12.003  135.468   12.309 9.441101 17.19250 
1 1 1   -5   16    2 o  471.480   15.445  2789.03  181.847  2829.60  257.360  2748.58  256.982  473.771   21.753  466.879   22.042 6.891937 30.96841 
1 1 1   -5   16    3 o  245.710   9.8595  755.239   60.496  768.245   85.814  742.388   85.297  247.194   13.959  242.965   14.119 4.228943 19.85466 
1 1 1   -5   16    4 o  351.409   11.814  1545.87  103.669  1560.26  146.650  1531.49  146.571  352.590   16.656  349.309   16.803 3.280884 23.65906 
1 1 1   -5   16    5 o   99.284   9.0332  124.274   22.151  127.448   30.804  120.876   31.876  100.105   12.602   97.317   13.479 2.788528 18.45218 
1 1 1   -5   16    6 o  173.697   17.891  382.763   76.495   0.0000   0.0000  382.763   76.495  ?   ?   173.697   17.891 0.000000 17.89148 
1 1 1   -5   16    7 o  416.293   28.446  2203.54  293.942  2203.54  293.942   0.0000   0.0000  416.293   28.446  ?   ?  0.000000 28.44590 
1 1 1   -5   16    8 o  705.910   21.849  6271.90  385.144  6347.45  544.612  6196.32  544.740  707.356   30.832  698.745   31.219 8.611145 43.87746 
1 1 1   -5   16    9 o  218.919   9.5239  599.300   52.065  582.002   72.959  617.251   74.323  215.136   13.651  221.598   13.495 -6.461731 19.19573 
1 1 1   -5   16   10 o  419.492   14.065  2204.41  147.333  2224.58  208.118  2184.14  208.604  420.731   19.809  416.858   20.039 3.873596 28.17726 
1 1 1   -5   16   11 o  888.164   26.814  9966.84  594.708  9759.68  840.596 10174.44  841.493  873.415   38.540  892.206   37.769 -18.79138 53.96158 
1 1 1   -5   16   12 o  225.584   9.4655  636.338   53.322  570.018   74.664  705.370   76.175  212.846   14.128  237.003   12.920 -24.15651 19.14439 
1 1 1   -5   16   13 o  246.470   10.036  759.781   61.769  752.059   86.804  767.703   87.916  244.589   14.274  247.125   14.308 -2.536224 20.21017 
1 1 1   -5   16   14 o  516.030   16.596  3340.70  213.862  3465.02  302.412  3216.32  302.480  524.380   23.094  505.030   23.984 19.35040 33.29553 
1 1 1   -5   16   15 o  326.511   11.613  1334.32   94.689  1288.59  133.430  1380.72  134.394  320.019   16.755  331.760   16.222 -11.74133 23.32128 
1 1 1   -5   16   16 o  324.262   11.917  1316.33   96.498  1345.20  136.165  1287.20  136.774  326.958   16.733  319.742   17.193 7.215240 23.99171 
1 1 1   -5   16   17 o  425.896   14.266  2273.92  151.722  2293.16  214.293  2254.58  214.842  426.849   20.104  423.206   20.329 3.643341 28.59092 
1 1 1   -5   16   18 o  242.492   9.7394  735.680   58.977  674.254   82.632  799.461   84.202  231.436   14.369  252.206   13.418 -20.77010 19.65961 
1 1 1   -5   16   19 o  256.216   10.417  821.685   66.651  872.217   94.114  770.841   94.405  263.297   14.368  247.335   15.361 15.96196 21.03318 
1 1 1   -5   16   20 o  142.808   9.2266  256.233   32.728  246.397   45.477  266.801   47.136  139.561   13.206  145.283   13.134 -5.721222 18.62547 
1 1 1   -5   16   21 o  302.989   11.639  1150.43   88.064  1203.65  124.400  1096.98  124.684  308.979   16.179  294.778   17.010 14.20148 23.47589 
1 1 1   -5   16   22 o  391.987   13.633  1929.08  133.450  1904.53  188.375  1953.81  189.082  387.901   19.509  393.423   19.246 -5.522064 27.40466 
1 1 1   -5   16   23 o  269.215   10.734  908.352   72.163  881.329  101.826  935.618  102.283  264.198   15.502  272.316   15.100 -8.117676 21.64076 
1 1 1   -5   16   24 o  415.699   14.371  2173.73  149.180  2243.20  210.907  2104.17  211.037  420.811   20.070  406.828   20.843 13.98376 28.93514 
1 1 1   -5   16   25 o  281.565   11.302  994.865   79.465  1003.35  112.090  986.293  112.674  281.612   16.005  279.147   16.234 2.464111 22.79691 
1 1 1   -5   16   26 o  352.765   12.938  1564.92  113.976  1592.17  160.971  1537.52  161.402  354.125   18.265  347.857   18.648 6.268188 26.10319 
1 1 1   -5   16   27 o  394.278   14.022  1958.39  138.063  1969.83  195.122  1946.92  195.380  393.172   19.939  390.815   20.088 2.357513 28.30303 
1 1 1   -5   16   28 o  108.404   12.025  149.513   32.005   94.030   62.542  169.197   37.252   85.382   26.533  115.201   13.187 -29.81902 29.62924 
1 1 1   -5   16   29 o  161.602   11.578  329.876   46.415  228.427   85.156  372.754   55.362  130.719   26.982  171.587   13.017 -40.86835 29.95781 
1 1 1   -5   16   30 o  131.509   12.207  219.392   39.631  158.692   76.666  241.527   46.297  108.577   28.070  137.781   13.635 -29.20348 31.20612 
1 1 1   -5   16   31 o  243.622   15.366  752.972   93.005   0.0000   0.0000  752.972   93.005  ?   ?   243.622   15.366 0.000000 15.36622 
1 1 1   -5   16   32 o  245.383   23.228  779.395  140.642  779.395  140.642   0.0000   0.0000  245.383   23.228  ?   ?  0.000000 23.22841 
1 1 1   -5   16   33 o  323.943   17.354  1335.09  139.876  1368.20  204.412  1305.94  191.816  324.542   25.426  317.529   24.377 7.012909 35.22355 
1 1 1   -5   16   34 o  159.258   16.094  324.346   63.128  329.719   98.697  320.627   82.122  157.743   25.959  156.899   21.527 0.8441925 33.72373 
1 1 1   -5   16   35 o  250.372   11.824  789.010   73.924  1008.54  145.701  712.907   85.786  279.943   20.995  237.073   14.561 42.86961 25.55022 
1 1 1   -5   16   36 o  286.949   13.944  1040.24   99.921  913.442  186.055  1091.63  118.453  262.584   28.850  292.910   16.258 -30.32660 33.11547 
1 1 1   -5   16   37 o  269.387   13.079  916.312   87.986  1018.94  171.321  879.546  102.543  279.081   24.842  262.839   15.695 16.24164 29.38487 
1 1 1   -5   16   38 f  211.985   13.298  570.545   70.038  384.035  144.287  628.037   80.108  165.007   36.027  222.102   14.524 -57.09511 38.84401 
1 1 1   -5   16   39 o  250.726   12.832  797.919   80.073  885.208  166.697  771.737   91.295  257.690   26.272  245.856   14.941 11.83411 30.22351 
1 1 1   -5   16   40 o  116.339   22.657  182.870   63.456   0.0000   0.0000  182.870   63.456  ?   ?   116.339   22.657 0.000000 22.65695 
1 1 1   -5   16   41 o  167.380   16.990  364.867   70.029  435.358  135.972  339.419   81.698  174.436   32.408  159.672   20.999 14.76384 38.61621 
1 1 1   -5   16   42 o  104.707   13.118  142.118   33.548  210.736  126.454  136.923   34.795  117.489   37.885  102.501   13.956 14.98825 40.37369 
1 1 1   -5   16   43 o  172.236   12.553  381.440   53.621  376.579  150.508  382.147   57.387  153.408   39.156  172.025   13.466 -18.61731 41.40693 
1 1 1   -5   16   44 o  143.323   12.891  265.936   45.642  103.331  148.495  282.901   47.964   93.590   38.791  147.757   13.136 -54.16666 40.95476 
1 1 1   -5   16   45 o  103.116   13.714  139.708   34.438   76.094  150.542  143.221   35.376   88.558   37.989  104.347   13.924 -15.78893 40.46053 
1 1 1   -5   16   46 o  173.494   16.650  401.011   71.252  564.019  181.262  371.221   77.490  180.575   41.118  165.250   19.132 15.32489 45.35149 
1 1 1   -5   16   47 o   78.507   14.851   83.280   28.047  206.127  179.646   80.211   28.396  106.072   43.172   76.837   15.336 29.23512 45.81473 
1 1 1   -5   16   48 o  173.694   12.822  395.290   55.224  505.540  211.952  387.260   57.199  148.687   49.117  171.503   13.464 -22.81602 50.92895 
1 1 1   -5   17    1 f  261.800   14.840  863.588   96.622  877.473  137.214  849.931  136.082  262.706   21.094  258.485   21.271 4.220978 29.95664 
1 1 1   -5   17    2 o  428.706   14.214  2306.43  152.165  2216.52  215.388  2396.02  215.000  419.107   20.580  435.928   19.750 -16.82077 28.52383 
1 1 1   -5   17    3 o  171.816   8.9213  370.273   38.145  363.504   54.547  376.753   53.364  169.801   12.962  172.951   12.439 -3.149231 17.96508 
1 1 1   -5   17    4 o  329.097   11.525  1356.27   94.711  1339.52  133.962  1373.02  133.920  326.145   16.502  330.647   16.219 -4.501404 23.13828 
1 1 1   -5   17    5 o  622.985   27.604  4924.17  429.433   0.0000   0.0000  4924.17  429.433  ?   ?   622.985   27.604 0.000000 27.60370 
1 1 1   -5   17    6 o  295.125   12.617  1091.04   92.986  1103.74  113.256  1064.79  162.880  296.214   15.364  289.645   22.701 6.568756 27.41126 
1 1 1   -5   17    7 o  735.924   22.786  6831.71  418.741  6761.09  591.985  6902.43  592.393  728.264   32.552  735.984   32.232 -7.720459 45.80963 
1 1 1   -5   17    8 o  635.230   27.524  5112.29  436.606  4414.21  616.031  5816.87  618.888  583.022   42.607  672.750   36.981 -89.72766 56.41792 
1 1 1   -5   17    9 o  144.299   11.809  262.407   42.180  176.254   58.671  354.567   60.682  116.596   20.919  167.539   14.652 -50.94337 25.53989 
1 1 1   -5   17   10 o  280.078   10.940  981.666   76.513  999.601  107.869  963.506  108.544  281.899   15.381  276.694   15.775 5.205383 22.03242 
1 1 1   -5   17   11 o  299.629   11.316  1123.68   84.667  1133.01  119.317  1114.21  120.161  300.090   15.980  297.547   16.233 2.542725 22.77865 
1 1 1   -5   17   12 o  360.165   12.659  1624.63  113.858  1641.34  160.627  1607.75  161.416  361.474   17.795  357.261   18.153 4.213470 25.41987 
1 1 1   -5   17   13 o  251.972   10.222  794.343   64.320  798.864   90.434  789.714   91.501  252.027   14.429  250.541   14.689 1.485687 20.59057 
1 1 1   -5   17   14 o  402.544   13.656  2030.78  137.270  2002.79  193.721  2059.00  194.539  399.000   19.443  404.590   19.255 -5.590424 27.36352 
1 1 1   -5   17   15 o  166.454   8.9503  347.520   37.067  292.941   51.221  407.527   53.708  152.279   13.613  179.995   12.018 -27.71539 18.15910 
1 1 1   -5   17   16 f  132.213   9.0544  219.665   29.714  243.486   41.127  193.651   42.978  138.919   11.972  123.465   14.198 15.45462 18.57202 
1 1 1   -5   17   17 o  249.511   10.347  779.226   64.467  765.347   90.564  793.483   91.789  246.531   14.779  251.047   14.706 -4.516479 20.84879 
1 1 1   -5   17   18 o  471.208   15.545  2788.60  182.915  2816.17  258.199  2760.83  259.166  472.178   21.898  467.440   22.202 4.737762 31.18423 
1 1 1   -5   17   19 o  110.408   9.5825  153.709   26.158  154.260   35.988  153.091   38.087  110.100   13.363  109.534   14.263 0.5661621 19.54486 
1 1 1   -5   17   20 o  183.137   9.4009  420.898   42.848  423.682   60.038  418.008   61.170  183.293   13.205  182.007   13.556 1.286011 18.92461 
1 1 1   -5   17   21 o  194.341   9.6577  472.908   46.869  493.479   65.686  451.572   66.896  197.822   13.375  189.063   14.274 8.759125 19.56174 
1 1 1   -5   17   22 o  262.521   10.651  863.731   69.826  897.828   98.268  828.958   99.236  266.785   14.808  256.174   15.587 10.61133 21.49964 
1 1 1   -5   17   23 o  130.597   9.1070  214.623   29.514  220.977   41.285  207.983   42.209  132.054   12.675  127.962   13.408 4.092125 18.45127 
1 1 1   -5   17   24 o  250.978   10.785  790.091   67.594  823.688   95.260  756.021   95.928  255.286   15.009  244.375   15.804 10.91019 21.79529 
1 1 1   -5   17   25 o  401.629   13.973  2030.77  140.143  2132.50  198.298  1929.26  198.085  410.015   19.367  389.129   20.457 20.88596 28.17034 
1 1 1   -5   17   26 o  222.506   10.602  621.313   58.910  645.743   83.070  596.597   83.554  225.826   14.813  216.871   15.531 8.954575 21.46231 
1 1 1   -5   17   27 o  446.617   15.144  2517.66  168.898  2556.89  238.636  2478.29  239.080  447.708   21.345  440.604   21.729 7.104340 30.45906 
1 1 1   -5   17   28 f  424.220   14.726  2270.95  156.006  2281.39  220.372  2260.46  220.880  422.953   20.865  420.945   21.013 2.008087 29.61196 
1 1 1   -5   17   29 o  238.867   12.438  719.890   73.935  664.242  131.685  745.507   89.347  226.346   23.647  242.569   14.821 -16.22322 27.90770 
1 1 1   -5   17   30 o  141.357   12.220  253.250   42.710  190.214   82.000  276.717   50.033  118.763   28.090  147.531   13.739 -28.76794 31.26943 
1 1 1   -5   17   31 o  470.506   18.242  2812.58  214.335  2890.70  374.058  2774.39  261.526  467.596   32.231  465.208   22.512 2.387421 39.31477 
1 1 1   -5   17   32 o  290.603   13.893  1065.33  100.823  952.847  179.283  1117.36  121.931  269.864   26.965  296.545   16.531 -26.68173 31.62883 
1 1 1   -5   17   33 o  291.101   17.405  1079.23  125.945  891.667  184.213  1243.86  172.581  259.999   28.859  310.651   22.397 -50.65134 36.53082 
1 1 1   -5   17   34 o  268.038   16.296  913.678  108.557  867.445  162.673  950.798  145.762  257.722   25.616  271.579   21.673 -13.85718 33.55449 
1 1 1   -5   17   35 o  235.679   12.319  701.559   72.248  777.385  139.204  673.604   84.523  244.753   23.047  230.343   14.772 14.41043 27.37502 
1 1 1   -5   17   36 o  304.448   14.601  1172.62  111.003  1026.67  202.717  1235.12  132.658  277.948   29.665  311.247   17.134 -33.29922 34.25718 
1 1 1   -5   17   37 o  182.164   16.578  425.280   74.586  472.836  122.977  397.608   93.810  188.447   26.896  174.375   22.035 14.07214 34.76963 
1 1 1   -5   17   38 o  304.951   13.944  1178.20  106.189  1309.16  203.780  1129.38  124.416  314.849   26.155  297.139   16.837 17.70996 31.10571 
1 1 1   -5   17   39 o   98.819   14.270  126.504   34.194  227.597  108.807  115.426   36.018  126.545   33.794   93.897   15.931 32.64801 37.36098 
1 1 1   -5   17   40 o   85.208   15.002   95.272   30.756   46.841  108.429   99.509   32.074   80.818   33.290   87.047   15.314 -6.228882 36.64335 
1 1 1   -5   17   41 o   69.450   24.067   60.032   50.921   0.0000   0.0000   60.032   50.921  ?   ?    69.450   24.067 0.000000 24.06718 
1 1 1   -5   17   42 f  215.182   17.559  606.255   93.533  595.673  165.393  611.230  113.409  201.252   34.129  213.615   21.555 -12.36287 40.36612 
1 1 1   -5   17   43 o  110.930   13.397  160.093   36.361  197.336  134.023  157.134   37.778  112.306   39.038  109.643   14.126 2.663391 41.51518 
1 1 1   -5   17   44 o  103.378   13.671  139.989   34.427  249.552  145.595  133.500   35.432  121.904   40.727  100.620   14.522 21.28384 43.23878 
1 1 1   -5   17   45 f  104.846   13.870  144.534   35.423   28.187  152.838  151.139   36.415   82.485   36.737  107.230   13.928 -24.74477 39.28882 
1 1 1   -5   17   46 o  155.375   12.462  313.207   47.946  616.394  179.876  290.018   49.746  192.201   38.814  148.986   13.518 43.21516 41.10068 
1 1 1   -5   17   47 o  225.140   17.592  682.794   98.118  931.093  219.570  620.839  109.678  233.724   38.994  211.355   21.061 22.36899 44.31802 
1 1 1   -5   17   48 o  115.957   13.376  177.928   38.022  -9.1879  197.504  185.130   38.747   80.737   38.010  118.319   13.347 -37.58211 40.28498 
1 1 1   -5   18    1 o  306.536   11.367  1178.38   87.012  1201.86  123.719  1155.40  122.397  308.484   16.116  302.414   16.267 6.069885 22.89898 
1 1 1   -5   18    2 o  132.653   8.7014  221.175   28.664  245.463   41.747  199.511   39.427  139.371   12.116  125.448   12.764 13.92248 17.59828 
1 1 1   -5   18    3 o  425.802   20.022  2290.42  212.898  2556.94  302.035  2027.23  300.140  446.938   27.191  396.468   30.551 50.46930 40.89894 
1 1 1   -5   18    4 o  382.641   13.130  1836.83  125.461  1814.80  177.583  1858.78  177.275  379.407   18.743  384.026   18.486 -4.619446 26.32553 
1 1 1   -5   18    5 o  119.650   9.3129  180.233   27.606  183.484   39.233  177.045   38.853  120.223   13.290  118.050   13.418 2.173302 18.88597 
1 1 1   -5   18    6 o  114.592   9.0226  165.305   25.610  198.439   35.915  131.029   36.529  125.325   11.608  101.091   14.918 24.23358 18.90227 
1 1 1   -5   18    7 o  321.980   11.610  1298.65   93.348  1286.72  131.748  1310.67  132.282  319.541   16.568  322.523   16.479 -2.982666 23.36781 
1 1 1   -5   18    8 o  457.164   15.034  2623.39  171.637  2573.11  242.464  2673.90  242.999  451.516   21.504  460.358   21.138 -8.841644 30.15351 
1 1 1   -5   18    9 o  523.049   16.827  3438.19  219.786  3423.42  310.560  3453.00  311.087  520.210   23.907  522.471   23.843 -2.260864 33.76439 
1 1 1   -5   18   10 o  239.766   12.174  722.047   72.650  807.132  123.105  676.579   89.992  252.393   19.688  231.616   15.651 20.77681 25.15075 
1 1 1   -5   18   11 o  523.981   23.977  3472.84  313.728  3406.53  443.428  3539.30  443.930  514.258   34.733  524.522   34.077 -10.26447 48.65837 
1 1 1   -5   18   12 o  252.234   11.901  796.950   74.960  754.472   92.022  880.723  129.230  244.715   15.133  263.691   19.769 -18.97551 24.89622 
1 1 1   -5   18   13 o  348.259   12.276  1519.64  106.764  1504.21  150.501  1535.26  151.480  345.432   17.504  349.437   17.359 -4.004852 24.65262 
1 1 1   -5   18   14 o  671.566   21.000  5690.06  352.181  5610.53  497.665  5769.85  498.453  663.271   30.047  672.799   29.668 -9.528076 42.22544 
1 1 1   -5   18   15 o  416.129   14.042  2172.53  145.915  2173.18  205.901  2171.89  206.813  415.196   19.859  415.053   19.954 0.1423645 28.15178 
1 1 1   -5   18   16 o  326.685   11.636  1337.12   94.923  1320.91  133.603  1353.65  134.888  323.711   16.583  327.717   16.536 -4.005615 23.41877 
1 1 1   -5   18   17 o   79.076   10.983   79.815   21.103   80.661   28.658   78.812   31.190   78.836   15.107   77.707   16.579 1.128632 22.42922 
1 1 1   -5   18   18 o  534.885   17.327  3602.40  231.443  3654.40  327.085  3550.25  327.535  536.524   24.413  528.680   24.809 7.843323 34.80652 
1 1 1   -5   18   19 o  247.918   10.394  769.906   64.351  786.433   90.275  752.832   91.756  249.766   14.537  244.257   15.117 5.508255 20.97268 
1 1 1   -5   18   20 o  178.530   9.5288  400.246   42.328  435.052   59.164  363.751   60.582  185.739   12.834  169.515   14.450 16.22424 19.32645 
1 1 1   -5   18   21 o  147.814   9.2874  274.686   34.107  283.474   47.318  265.184   49.207  149.719   12.779  144.617   13.793 5.102676 18.80252 
1 1 1   -5   18   22 o  272.046   10.727  928.025   72.871  892.002  102.281  965.159  103.847  265.661   15.485  276.456   15.100 -10.79495 21.62811 
1 1 1   -5   18   23 o  242.393   10.470  736.827   63.376  730.984   88.930  742.857   90.339  240.445   14.884  242.374   15.000 -1.928772 21.13114 
1 1 1   -5   18   24 o  223.805   10.313  628.264   57.637  663.483   80.952  592.055   82.081  229.095   14.220  216.145   15.306 12.94926 20.89257 
1 1 1   -5   18   25 o  281.602   11.207  995.802   78.807  1121.74  111.495  870.074  111.404  297.832   15.040  261.692   17.142 36.14072 22.80456 
1 1 1   -5   18   26 o  108.228   9.6766  148.064   25.877  153.714   35.756  141.849   37.496  109.704   13.326  105.059   14.694 4.645157 19.83685 
1 1 1   -5   18   27 o  296.044   12.073  1102.19   89.249  1168.23  126.186  1036.09  126.249  303.346   16.723  285.302   17.809 18.04337 24.42984 
1 1 1   -5   18   28 o  356.729   13.088  1602.76  116.587  1684.48  164.742  1520.78  165.015  364.272   18.110  345.261   19.215 19.01080 26.40493 
1 1 1   -5   18   29 o  255.771   11.358  822.303   72.543  842.807  102.314  801.576  102.871  257.624   15.983  251.081   16.499 6.542908 22.97072 
1 1 1   -5   18   30 o  264.493   15.938  888.323  104.778   0.0000   0.0000  888.323  104.778  ?   ?   264.493   15.938 0.000000 15.93818 
1 1 1   -5   18   31 o  463.071   18.425  2726.31  213.064  2907.71  371.203  2637.19  260.193  469.012   31.883  452.590   23.099 16.42291 39.37128 
1 1 1   -5   18   32 o  239.059   12.275  721.281   73.031  739.232  133.051  713.540   87.369  239.046   22.555  237.188   14.825 1.858932 26.99125 
1 1 1   -5   18   33 o  230.786   12.777  673.099   73.350  695.614  135.273  663.721   87.298  231.309   23.756  228.553   15.385 2.756302 28.30305 
1 1 1   -5   18   34 o  380.962   20.547  1861.28  194.744  1540.36  280.135  2161.42  270.915  339.069   33.524  406.921   26.811 -67.85226 42.92643 
1 1 1   -5   18   35 o  317.148   18.269  1285.03  144.076  1116.95  211.236  1431.24  197.014  290.311   29.550  332.137   23.914 -41.82584 38.01360 
1 1 1   -5   18   36 o  273.855   14.568  951.651   99.270  702.573  183.576  1054.59  118.013  227.417   33.313  287.687   16.496 -60.26997 37.17339 
1 1 1   -5   18   37 o  315.966   14.957  1265.96  118.013  1113.37  216.620  1330.36  140.732  288.080   30.579  322.533   17.539 -34.45273 35.25198 
1 1 1   -5   18   38 o  248.374   14.121  784.682   87.222  548.807  167.917  871.840  102.073  198.063   35.242  261.285   15.717 -63.22214 38.58766 
1 1 1   -5   18   39 o  140.507   13.266  252.530   45.994  148.122  115.021  272.403   50.181  104.990   36.183  145.796   13.953 -40.80573 38.78068 
1 1 1   -5   18   40 o  188.250   17.450  460.082   81.098  408.190  138.289  487.282  100.121  168.664   34.007  192.067   21.230 -23.40282 40.08995 
1 1 1   -5   18   41 o   83.441   15.809   92.284   31.736  134.331  117.701   88.988   32.956   99.898   36.383   81.665   16.723 18.23320 40.04227 
1 1 1   -5   18   42 o  282.578   24.597  1088.26  171.834   0.0000   0.0000  1088.26  171.834  ?   ?   282.578   24.597 0.000000 24.59650 
1 1 1   -5   18   43 o  124.592   19.371  209.425   58.311  365.772  137.091  174.891   64.430  153.231   36.372  111.595   23.844 41.63672 43.49086 
1 1 1   -5   18   44 o   87.404   14.835  101.555   31.222  188.072  137.872   96.878   32.054  108.536   39.400   85.043   15.671 23.49264 42.40258 
1 1 1   -5   18   45 o  105.484   13.975  146.415   35.905  309.834  155.356  137.194   36.904  132.520   41.914  101.675   14.984 30.84473 44.51200 
1 1 1   -5   18   46 o  115.273   13.671  174.659   38.587  204.536  169.186  173.020   39.632  108.315   42.626  114.522   14.160 -6.207130 44.91640 
1 1 1   -5   18   47 o  138.175   12.835  249.648   43.780  634.797  194.585  229.111   44.932  186.745   42.661  131.836   13.855 54.90865 44.85436 
1 1 1   -5   18   48 o   85.274   19.227  103.069   39.965  243.448  192.661   96.757   40.853  108.009   44.419   82.188   20.077 25.82051 48.74528 
1 1 1   -5   19    1 o  186.368   9.2426  435.261   43.014  417.766   61.930  451.567   59.789  181.676   13.753  189.098   12.736 -7.422577 18.74389 
1 1 1   -5   19    2 o   86.630   9.3875   95.123   19.983  101.209   30.412   90.499   26.509   88.593   14.228   83.874   13.083 4.718849 19.32924 
1 1 1   -5   19    3 o  238.369   10.154  712.149   60.443  667.182   86.080  755.881   84.891  229.712   15.090  244.779   13.946 -15.06660 20.54725 
1 1 1   -5   19    4 o  525.369   35.402  3609.71  461.743   0.0000   0.0000  3609.71  461.743  ?   ?   525.369   35.402 0.000000 35.40174 
1 1 1   -5   19    5 f  189.738   19.497  459.685   91.066  459.685   91.066   0.0000   0.0000  189.738   19.497  ?   ?  0.000000 19.49723 
1 1 1   -5   19    6 o  542.295   17.350  3706.34  234.952  3656.93  332.189  3755.81  332.356  536.070   24.815  543.401   24.492 -7.331482 34.86632 
1 1 1   -5   19    7 o  220.470   9.6766  608.604   53.275  583.706   75.005  633.954   75.684  215.132   14.038  224.308   13.576 -9.175919 19.52884 
1 1 1   -5   19    8 o  357.463   12.285  1602.43  109.659  1568.56  154.749  1636.58  155.416  352.865   17.562  360.488   17.264 -7.623077 24.62675 
1 1 1   -5   19    9 o  635.254   19.688  5093.89  312.314  4761.63  440.938  5428.40  442.424  610.364   28.929  652.599   27.148 -42.23547 39.67278 
1 1 1   -5   19   10 o  427.763   14.506  2298.07  154.957  2342.93  218.841  2252.95  219.444  430.707   20.347  422.245   20.812 8.462646 29.10535 
1 1 1   -5   19   11 o  727.729   22.588  6705.63  410.483  6478.65  579.947  6933.49  581.076  709.911   32.714  735.081   31.655 -25.17023 45.52217 
1 1 1   -5   19   12 o  466.680   15.503  2737.39  180.670  2722.71  255.089  2752.16  255.924  463.872   22.021  466.387   21.974 -2.515228 31.10961 
1 1 1   -5   19   13 o  656.264   29.490  5507.80  483.283  5606.22  683.555  5409.43  683.375  652.949   42.147  640.719   42.960 12.22980 60.18251 
1 1 1   -5   19   14 f  560.385   25.416  3992.95  355.673  3742.45  502.508  4244.42  503.488  535.531   37.819  571.950   35.426 -36.41888 51.81971 
1 1 1   -5   19   15 o  270.998   10.545  919.937   71.363  884.286  100.037  956.877  101.831  264.809   15.191  275.556   14.853 -10.74637 21.24621 
1 1 1   -5   19   16 o  208.339   9.5746  543.450   49.813  539.004   69.423  548.169   71.516  206.768   13.520  208.482   13.815 -1.713806 19.32966 
1 1 1   -5   19   17 o  285.209   11.071  1019.56   78.851  1029.58  110.782  1009.27  112.257  285.655   15.589  282.744   15.964 2.910919 22.31319 
1 1 1   -5   19   18 o  591.686   18.846  4422.26  278.455  4511.88  393.533  4332.39  394.057  594.302   26.517  582.063   27.111 12.23889 37.92264 
1 1 1   -5   19   19 o  139.758   9.3512  245.704   32.447  256.720   44.770  233.516   47.093  142.433   12.721  135.570   14.118 6.863388 19.00340 
1 1 1   -5   19   20 o  105.550   9.6368  140.730   25.120  172.078   34.387  104.856   36.785  116.480   11.993   89.716   17.042 26.76431 20.83947 
1 1 1   -5   19   21 o  343.712   11.937  1483.32  102.453  1396.56  143.842  1572.65  145.962  332.030   17.409  353.004   16.558 -20.97363 24.02588 
1 1 1   -5   19   22 o  116.982   9.9538  172.800   28.801  177.384   40.026  167.878   41.474  117.930   13.856  114.497   14.856 3.432655 20.31425 
1 1 1   -5   19   23 o  149.832   9.3106  282.453   34.664  252.860   47.780  315.336   50.366  141.068   13.738  157.824   12.892 -16.75642 18.83959 
1 1 1   -5   19   24 o  404.801   14.219  2065.32  143.733  2186.99  203.010  1943.03  203.528  414.812   19.598  389.965   20.977 24.84711 28.70769 
1 1 1   -5   19   25 o  202.667   9.9592  515.328   50.403  504.740   70.380  526.477   72.218  199.587   14.214  203.846   14.277 -4.259079 20.14622 
1 1 1   -5   19   26 o   97.232   9.9622  119.857   23.847  125.961   32.429  112.669   35.191   99.108   13.451   93.192   15.678 5.916115 20.65731 
1 1 1   -5   19   27 o  257.779   11.181  835.054   71.972  882.779  101.503  786.797  102.066  263.833   15.474  248.753   16.525 15.08057 22.63897 
1 1 1   -5   19   28 o  125.422   9.9769  198.673   30.990  185.374   42.963  213.096   44.743  120.320   14.598  129.223   14.094 -8.902512 20.29136 
1 1 1   -5   19   29 o  378.404   16.139  1812.91  152.501  1703.71  266.477  1866.09  185.965  359.759   29.934  382.215   19.549 -22.45627 35.75174 
1 1 1   -5   19   30 o  285.561   17.391  1038.58  123.426  1038.58  123.426   0.0000   0.0000  285.561   17.391  ?   ?  0.000000 17.39130 
1 1 1   -5   19   31 o  349.845   15.282  1547.84  133.504  1687.72  234.938  1481.13  162.245  359.994   26.316  340.483   19.160 19.51111 32.55243 
1 1 1   -5   19   32 o  314.387   14.008  1247.69  109.972  1520.97  197.378  1124.65  132.433  343.181   23.167  296.940   17.944 46.24124 29.30380 
1 1 1   -5   19   33 o  208.500   12.487  549.565   64.715  510.488  119.319  565.851   77.029  197.380   24.752  211.081   14.705 -13.70082 28.79095 
1 1 1   -5   19   34 o  293.250   17.927  1098.06  130.650  825.503  190.985  1337.81  179.120  248.292   31.512  321.847   22.427 -73.55519 38.67781 
1 1 1   -5   19   35 o  234.651   16.356  702.086   95.239  568.029  146.157  801.013  125.555  206.212   29.199  249.345   20.342 -43.13287 35.58573 
1 1 1   -5   19   36 o  194.569   12.838  479.841   62.024  489.957  123.316  476.415   71.762  192.180   26.393  193.352   14.979 -1.171356 30.34720 
1 1 1   -5   19   37 o  310.225   14.670  1220.40  113.647  1134.02  207.814  1257.26  135.743  291.481   28.933  313.443   17.411 -21.96216 33.76752 
1 1 1   -5   19   38 o  102.390   15.084  136.015   37.413  105.617   99.425  141.029   40.381   92.938   33.501  104.049   16.058 -11.11126 37.15116 
1 1 1   -5   19   39 o  150.115   13.645  288.525   50.592  211.597  120.172  305.096   55.775  121.185   36.617  154.107   14.670 -32.92171 39.44601 
1 1 1   -5   19   40 o  101.731   14.567  134.676   35.949  246.432  111.159  121.622   37.990  130.188   33.869   96.062   16.427 34.12650 37.64278 
1 1 1   -5   19   41 o  203.501   13.122  530.339   66.326  450.521  146.967  550.753   74.325  174.993   34.856  206.839   14.481 -31.84636 37.74460 
1 1 1   -5   19   42 o  270.797   14.323  945.354   96.514  926.005  197.246  951.445  110.667  253.087   31.919  270.310   16.473 -17.22244 35.91969 
1 1 1   -5   19   43 o  221.123   22.625  667.023  123.173   0.0000   0.0000  667.023  123.173  ?   ?   221.123   22.625 0.000000 22.62509 
1 1 1   -5   19   44 o   80.738   23.306   92.049   49.604  185.079  140.494   78.800   53.019  107.661   39.668   75.504   24.547 32.15716 46.64869 
1 1 1   -5   19   45 o  115.425   14.323  175.383   40.397  204.800  156.265  173.276   41.819  110.118   41.581  114.444   14.993 -4.326340 44.20130 
1 1 1   -5   19   46 o   90.623   15.240  110.180   33.265  172.172  168.457  107.665   33.934  102.754   41.812   89.346   15.786 13.40834 44.69265 
1 1 1   -5   19   47 f  163.779   13.333  351.323   54.055  271.017  196.449  357.902   56.226  115.048   45.723  165.063   13.766 -50.01498 47.75053 
1 1 1   -5   19   48 o  139.116   13.914  256.472   47.687   0.0000   0.0000  256.472   47.687  ?   ?   139.116   13.914 0.000000 13.91359 
1 1 1   -5   20    1 o  322.314   11.888  1306.99   95.686  1307.45  136.170  1306.55  134.486  320.655   17.067  320.615   16.857 0.3988647E-01 23.98808 
1 1 1   -5   20    2 o  142.868   9.1236  256.943   32.380  232.529   47.274  278.520   44.442  135.059   14.231  148.329   12.104 -13.26950 18.68218 
1 1 1   -5   20    3 o  436.275   20.743  2424.17  225.989   0.0000   0.0000  2424.17  225.989  ?   ?   436.275   20.743 0.000000 20.74323 
1 1 1   -5   20    4 o  359.072   17.574  1631.52  157.585  1631.52  157.585   0.0000   0.0000  359.072   17.574  ?   ?  0.000000 17.57448 
1 1 1   -5   20    5 o  293.422   10.941  1080.28   80.166  976.057  113.453  1184.20  113.291  277.586   16.440  306.591   14.797 -29.00433 22.11878 
1 1 1   -5   20    6 o  449.198   21.402  2564.39  240.077  2673.31  339.484  2455.44  339.555  453.863   30.124  434.110   31.538 19.75345 43.61350 
1 1 1   -5   20    7 o  164.485   13.351  342.251   54.368  352.806   75.634  330.967   78.205  166.040   18.559  160.446   19.949 5.593887 27.24716 
1 1 1   -5   20    8 o  239.922   9.7158  721.164   58.210  627.133   81.865  817.323   82.786  222.758   14.801  254.741   13.058 -31.98349 19.73774 
1 1 1   -5   20    9 o  532.784   17.058  3580.37  226.953  3660.00  320.895  3500.68  321.026  536.045   23.972  524.003   24.533 12.04224 34.30101 
1 1 1   -5   20   10 o  222.801   9.5237  621.737   52.988  552.871   74.165  693.544   75.732  209.219   14.281  234.652   12.975 -25.43341 19.29445 
1 1 1   -5   20   11 o  311.277   11.556  1215.28   89.829  1235.05  126.509  1195.18  127.573  312.698   16.257  307.503   16.676 5.195648 23.28896 
1 1 1   -5   20   12 o  248.507   10.580  773.994   65.654  821.672   92.196  724.941   93.516  255.217   14.526  239.457   15.726 15.76086 21.40868 
1 1 1   -5   20   13 o  227.594   9.9931  648.948   56.795  633.658   79.554  664.842   81.110  224.057   14.293  229.537   14.221 -5.479843 20.16214 
1 1 1   -5   20   14 o  170.753   9.3164  366.207   39.575  374.178   54.708  357.458   57.319  172.161   12.817  168.103   13.775 4.057770 18.81592 
1 1 1   -5   20   15 o  231.589   13.949  676.604   80.292  654.779  113.461  698.497  113.638  226.515   20.273  234.166   19.614 -7.651184 28.20827 
1 1 1   -5   20   16 o  245.700   14.354  761.857   87.688  712.527  123.836  811.464  124.184  236.077   21.233  252.404   19.863 -16.32683 29.07532 
1 1 1   -5   20   17 o  262.447   10.353  863.438   67.848  830.622   94.724  898.012   97.228  256.455   14.855  266.727   14.654 -10.27222 20.86599 
1 1 1   -5   20   18 o  276.854   10.631  961.204   73.498  907.789  102.821  1017.02  105.101  267.975   15.430  283.807   14.882 -15.83182 21.43730 
1 1 1   -5   20   19 o  390.150   13.627  1914.85  132.765  1977.53  187.210  1851.42  188.311  395.103   18.974  381.557   19.832 13.54660 27.44688 
1 1 1   -5   20   20 o  170.033   9.4232  363.442   39.855  367.084   55.071  359.438   57.751  170.361   13.044  168.429   13.853 1.932526 19.02809 
1 1 1   -5   20   21 o  444.504   14.636  2490.55  162.461  2428.58  228.967  2553.38  230.550  436.763   20.993  448.002   20.608 -11.23889 29.41764 
1 1 1   -5   20   22 o  303.276   11.652  1155.68   88.247  1203.91  123.766  1105.81  125.861  308.244   16.135  295.099   17.153 13.14444 23.54945 
1 1 1   -5   20   23 o  197.658   10.033  491.442   49.358  557.928   69.041  421.935   70.592  210.089   13.227  182.093   15.677 27.99612 20.51174 
1 1 1   -5   20   24 o  195.640   10.178  481.678   49.555  548.627   69.765  413.504   70.401  208.240   13.489  180.185   15.806 28.05449 20.77894 
1 1 1   -5   20   25 o  423.289   14.796  2262.53  156.393  2396.90  220.721  2127.05  221.628  433.495   20.390  407.177   21.877 26.31842 29.90543 
1 1 1   -5   20   26 o  152.334   9.8047  292.406   37.099  328.031   51.624  254.356   53.352  160.865   12.961  141.040   15.398 19.82503 20.12697 
1 1 1   -5   20   27 o  270.849   11.290  922.262   76.360  937.772  107.262  906.325  108.731  271.767   15.874  267.011   16.386 4.756042 22.81442 
1 1 1   -5   20   28 o  355.840   12.943  1595.52  115.010  1627.12  162.043  1563.45  163.262  357.314   18.221  350.029   18.746 7.284729 26.14233 
1 1 1   -5   20   29 o  278.599   13.666  979.180   95.076  1229.90  161.626  846.517  117.568  309.406   21.044  257.345   18.416 52.06055 27.96419 
1 1 1   -5   20   30 o  222.370   10.743  621.406   59.656  662.831   83.776  578.792   84.970  228.554   14.757  213.184   16.079 15.37027 21.82484 
1 1 1   -5   20   31 o  189.785   10.374  453.794   48.980  475.242   68.660  431.570   69.891  193.462   14.314  184.076   15.344 9.385803 20.98415 
1 1 1   -5   20   32 o  213.832   12.419  577.889   66.031  675.889  123.153  538.350   78.225  228.575   21.842  205.702   15.339 22.87331 26.68951 
1 1 1   -5   20   33 o  166.590   12.434  351.584   51.354  394.940   98.901  335.579   60.090  173.643   23.404  162.195   15.006 11.44786 27.80196 
1 1 1   -5   20   34 o  254.344   16.795  825.087  106.074  622.138  157.708  992.745  143.342  215.579   30.118  277.582   20.831 -62.00299 36.61964 
1 1 1   -5   20   35 o  304.887   17.560  1187.35  133.130  1133.30  197.838  1232.08  179.976  293.218   27.334  307.857   23.590 -14.63922 36.10613 
1 1 1   -5   20   36 o  331.159   18.501  1405.73  152.382  1305.60  223.693  1492.44  208.147  313.332   28.915  337.794   24.850 -24.46158 38.12611 
1 1 1   -5   20   37 o  135.452   13.689  234.612   45.666  198.712  103.157  243.362   50.928  119.243   33.343  137.647   15.062 -18.40436 36.58678 
1 1 1   -5   20   38 o  162.859   12.604  337.636   50.859  513.235  118.951  298.354   56.261  196.280   24.823  152.419   14.975 43.86113 28.99025 
1 1 1   -5   20   39 f  122.137   14.041  192.236   42.047  201.860  106.039  190.440   45.801  118.602   34.029  121.154   15.494 -2.552544 37.39002 
1 1 1   -5   20   40 o  170.621   12.958  372.452   54.800  324.692  126.289  383.530   60.824  148.955   34.611  172.733   14.228 -23.77814 37.42154 
1 1 1   -5   20   41 o  219.977   13.815  621.605   75.502  457.711  157.165  670.777   86.086  173.999   37.292  227.873   15.216 -53.87355 40.27673 
1 1 1   -5   20   42 o  176.945   13.513  403.833   59.259  422.435  142.773  399.961   65.134  166.831   35.368  175.441   15.012 -8.609894 38.42202 
1 1 1   -5   20   43 o  130.853   14.036  223.177   45.147  165.574  140.121  229.850   47.691  104.691   39.409  132.570   14.651 -27.87897 42.04445 
1 1 1   -5   20   44 o  197.370   22.681  537.733  109.757   0.0000   0.0000  537.733  109.757  ?   ?   197.370   22.681 0.000000 22.68115 
1 1 1   -5   20   45 o  128.424   21.497  229.397   66.504  100.323  155.569  258.260   73.565   92.160   39.046  135.798   22.480 -43.63895 45.05433 
1 1 1   -5   20   46 o   66.321   17.847   60.820   30.208  139.135  157.309   57.821   30.781   96.734   39.996   64.699   18.257 32.03535 43.96555 
1 1 1   -5   20   47 o  147.902   13.508  287.426   49.341  420.081  187.122  277.514   51.152  142.957   46.084  144.867   14.328 -1.909454 48.25967 
1 1 1   -5   20   48 o   42.603   18.776  -3.6178   38.903   0.0000   0.0000  -3.6178   38.903  ?   ?    42.603   18.776 0.000000 18.77577 
1 1 1   -5   21    1 o  301.019   11.620  1141.40   87.348  1093.85  124.553  1187.41  122.529  292.715   17.114  305.386   16.124 -12.67151 23.51349 
1 1 1   -5   21    2 o  169.985   13.544  367.085   57.014  268.689   83.703  452.249   77.871  142.308   24.434  187.991   16.764 -45.68240 29.63167 
1 1 1   -5   21    3 o  244.311   10.157  749.702   61.966  791.857   88.850  709.780   86.466  249.967   14.293  236.509   14.713 13.45761 20.51265 
1 1 1   -5   21    4 o  253.761   10.477  808.834   66.392  775.689   94.317  841.390   93.475  247.208   15.354  257.703   14.585 -10.49510 21.17734 
1 1 1   -5   21    5 o  326.153   11.915  1337.91   97.045  1301.05  137.486  1374.51  137.000  319.908   17.274  329.020   16.729 -9.112122 24.04719 
1 1 1   -5   21    6 o  289.608   10.990  1053.42   79.482  935.693  112.481  1170.83  112.328  271.420   16.676  304.602   14.767 -33.18192 22.27489 
1 1 1   -5   21    7 o  194.780   9.3482  475.639   45.470  451.715   64.318  499.542   64.290  188.889   13.730  198.819   13.021 -9.930145 18.92197 
1 1 1   -5   21    8 o  438.181   20.989  2444.80  229.664  2375.61  324.165  2514.53  325.427  426.317   30.654  439.160   29.852 -12.84265 42.78785 
1 1 1   -5   21    9 o  404.496   19.851  2077.96  200.516  2220.36  283.178  1934.77  283.967  414.090   27.542  385.278   29.745 28.81253 40.53835 
1 1 1   -5   21   10 o  350.117   12.168  1540.17  106.384  1438.34  149.862  1643.62  151.046  336.669   17.890  360.671   16.771 -24.00201 24.52110 
1 1 1   -5   21   11 o  447.491   14.825  2523.25  165.659  2470.73  233.913  2576.09  234.645  440.698   21.255  450.145   20.874 -9.446228 29.79100 
1 1 1   -5   21   12 o  447.490   14.916  2523.31  166.686  2527.56  235.320  2519.03  236.141  445.820   21.137  445.024   21.249 0.7957764 29.97160 
1 1 1   -5   21   13 o  266.083   10.879  888.330   72.284  937.154  101.633  838.353  102.826  272.298   15.004  257.262   16.087 15.03632 21.99803 
1 1 1   -5   21   14 o  339.112   12.461  1445.11  105.522  1528.35  148.841  1361.00  149.624  347.748   17.140  327.370   18.377 20.37793 25.12937 
1 1 1   -5   21   15 o  213.133   9.6472  569.408   51.345  526.420   71.431  615.365   73.857  204.003   14.108  220.759   13.462 -16.75584 19.50032 
1 1 1   -5   21   16 o  413.650   14.267  2155.09  147.373  2276.12  208.074  2033.25  208.761  423.456   19.677  399.251   21.013 24.20541 28.78751 
1 1 1   -5   21   17 o  310.701   11.778  1212.69   91.384  1173.82  128.065  1253.01  130.442  304.248   16.923  314.444   16.672 -10.19501 23.75553 
1 1 1   -5   21   18 o  144.014   12.520  262.724   44.577  189.996   62.765  336.747   63.321  120.350   21.682  162.569   15.797 -42.21902 26.82638 
1 1 1   -5   21   19 o  246.106   14.470  766.211   88.540  780.418  125.662  752.205  124.771  246.770   20.580  242.161   20.836 4.609100 29.28574 
1 1 1   -5   21   20 o  392.126   13.344  1936.41  130.663  1873.84  183.489  2000.78  186.109  384.011   19.134  396.933   18.776 -12.92218 26.80783 
1 1 1   -5   21   21 f  243.605   10.246  744.846   62.326  727.468   86.823  763.322   89.525  239.679   14.575  245.513   14.669 -5.833267 20.67924 
1 1 1   -5   21   22 o  400.240   13.870  2019.98  138.627  2085.29  195.365  1953.74  196.738  404.793   19.327  390.983   20.219 13.81070 27.97058 
1 1 1   -5   21   23 o  214.951   10.218  580.083   54.847  590.667   75.983  568.569   79.251  215.908   14.171  211.604   15.097 4.303696 20.70627 
1 1 1   -5   21   24 o  176.719   9.9573  393.239   43.762  466.865   60.777  313.962   63.065  192.118   12.741  156.631   16.365 35.48676 20.73993 
1 1 1   -5   21   25 o  363.070   13.386  1662.07  121.369  1788.26  171.094  1534.27  172.194  375.028   18.269  346.222   20.002 28.80591 27.08938 
1 1 1   -5   21   26 o  224.458   10.734  633.094   60.163  720.844   84.537  543.040   85.640  238.516   14.258  206.288   16.770 32.22849 22.01197 
1 1 1   -5   21   27 o  168.081   9.7656  355.819   40.812  358.385   56.261  352.969   59.293  168.029   13.523  166.565   14.397 1.464462 19.75166 
1 1 1   -5   21   28 o  271.498   13.386  929.761   90.755  1043.15  154.101  869.550  112.295  284.420   21.864  261.129   17.319 23.29117 27.89255 
1 1 1   -5   21   29 o  193.708   14.393  476.596   69.126  476.596   69.126   0.0000   0.0000  193.708   14.393  ?   ?  0.000000 14.39312 
1 1 1   -5   21   30 o  235.127   10.470  694.668   61.477  741.527   85.957  645.600   87.961  241.862   14.295  225.253   15.736 16.60918 21.26014 
1 1 1   -5   21   31 o  345.752   13.037  1507.54  112.566  1625.32  158.865  1388.78  159.522  357.481   17.796  329.314   19.485 28.16748 26.38855 
1 1 1   -5   21   32 o  213.008   10.574  570.319   56.246  622.515   78.975  516.592   80.125  221.474   14.357  201.238   16.079 20.23601 21.55564 
1 1 1   -5   21   33 o  166.440   12.325  350.986   50.862  428.047   97.867  322.471   59.533  181.236   22.081  158.886   15.189 22.34972 26.80074 
1 1 1   -5   21   34 o  383.185   19.943  1884.57  190.170  1824.22  275.976  1939.14  262.418  370.660   30.075  384.042   27.546 -13.38126 40.78340 
1 1 1   -5   21   35 o  208.789   15.479  555.981   80.131  501.785  125.990  592.796  103.839  194.318   26.667  214.297   19.622 -19.97884 33.10823 
1 1 1   -5   21   36 o  344.069   19.057  1521.60  163.096  1388.35  238.399  1638.83  223.614  321.917   30.001  353.189   25.526 -31.27194 39.39087 
1 1 1   -5   21   37 o  226.386   14.322  653.010   80.547  526.120  152.751  701.881   94.798  195.133   32.490  234.048   16.322 -38.91472 36.35934 
1 1 1   -5   21   38 o  369.219   15.974  1742.15  147.283  1804.92  266.135  1714.44  176.830  364.991   29.450  363.738   19.539 1.253052 35.34227 
1 1 1   -5   21   39 o  120.341   13.835  186.724   40.820  214.953  103.101  181.477   44.452  122.172   33.011  118.165   15.433 4.006905 36.44083 
1 1 1   -5   21   40 o  222.554   13.761  634.794   76.101  711.995  155.512  610.485   87.264  227.068   28.020  217.157   16.209 9.910660 32.37036 
1 1 1   -5   21   41 o  107.336   15.396  151.253   40.086  152.854  115.085  151.032   42.764  103.024   36.154  106.862   16.561 -3.838104 39.76671 
1 1 1   -5   21   42 o  164.636   12.960  349.339   52.850  432.609  138.138  335.061   57.202  169.717   33.782  160.626   14.414 9.091919 36.72827 
1 1 1   -5   21   43 o  221.125   13.095  630.858   71.986  772.233  166.018  598.123   79.887  230.709   29.491  214.203   15.030 16.50595 33.10028 
1 1 1   -5   21   44 o  178.407   13.809  414.052   61.040  352.303  158.342  424.830   66.153  142.226   41.809  180.177   14.835 -37.95094 44.36256 
1 1 1   -5   21   45 o   82.976   25.865   99.731   59.383   0.0000   0.0000   99.731   59.383  ?   ?    82.976   25.865 0.000000 25.86540 
1 1 1   -5   21   46 o   69.232   24.069   65.055   50.949   52.779  154.408   66.555   53.971   83.870   37.162   70.148   24.747 13.72171 44.64730 
1 1 1   -5   21   47 o   74.137   18.364   77.130   33.822   0.0000   0.0000   77.130   33.822  ?   ?    74.137   18.364 0.000000 18.36429 
1 1 1   -5   22    1 o  252.008   10.527  799.656   66.248  786.359   95.447  812.015   92.025  248.247   15.474  252.555   14.655 -4.308121 21.31180 
1 1 1   -5   22    2 o  251.585   14.590  805.088   91.270   0.0000   0.0000  805.088   91.270  ?   ?   251.585   14.590 0.000000 14.59026 
1 1 1   -5   22    3 o  280.420   15.644  1001.40  109.114  1001.40  109.114   0.0000   0.0000  280.420   15.644  ?   ?  0.000000 15.64431 
1 1 1   -5   22    4 o  253.913   15.250  820.113   96.250  687.049  137.801  946.872  134.496  228.955   24.481  271.151   20.004 -42.19646 31.61499 
1 1 1   -5   22    5 f  224.515   9.9373  633.278   55.714  593.462   79.376  671.942   78.219  216.048   14.802  230.246   13.665 -14.19783 20.14531 
1 1 1   -5   22    6 o  260.014   10.356  849.563   67.243  878.467   95.645  821.313   94.555  263.180   14.611  254.354   14.952 8.825928 20.90569 
1 1 1   -5   22    7 o  395.866   13.608  1977.47  134.523  1899.85  190.321  2054.97  190.167  385.264   19.850  401.563   18.964 -16.29880 27.45265 
1 1 1   -5   22    8 o  262.371   10.478  864.729   68.650  874.111   97.089  855.347   97.083  262.585   14.867  259.698   15.034 2.886810 21.14411 
1 1 1   -5   22    9 o  423.542   14.316  2264.40  151.415  2275.62  214.070  2253.17  214.197  422.279   20.300  420.139   20.416 2.140442 28.79099 
1 1 1   -5   22   10 o  216.885   11.304  592.812   61.009  595.054   73.674  587.922  108.828  216.834   13.676  213.704   20.650 3.130325 24.76831 
1 1 1   -5   22   11 o  295.401   16.328  1107.61  119.982  1158.91  168.541  1054.90  170.842  299.958   22.668  285.497   24.190 14.46109 33.15140 
1 1 1   -5   22   12 o  162.524   9.0508  332.180   36.587  339.316   50.873  324.534   52.657  163.735   12.537  159.971   13.302 3.764313 18.27924 
1 1 1   -5   22   13 o  521.739   17.136  3448.77  223.255  3554.43  315.477  3342.77  315.984  526.009   24.017  509.615   24.830 16.39377 34.54481 
1 1 1   -5   22   14 o  305.850   11.368  1175.53   86.823  1102.70  121.973  1250.33  123.616  294.696   16.642  314.110   15.810 -19.41330 22.95497 
1 1 1   -5   22   15 o  315.961   11.983  1255.47   94.551  1260.38  132.979  1250.45  134.463  315.012   16.967  313.681   17.232 1.330719 24.18302 
1 1 1   -5   22   16 o  585.254   18.677  4352.29  272.961  4244.34  385.384  4460.96  386.668  572.594   26.952  587.480   26.357 -14.88586 37.69767 
1 1 1   -5   22   17 f  266.120   10.814  889.567   71.865  892.674  100.637  886.334  102.658  265.380   15.250  264.336   15.621 1.044281 21.83094 
1 1 1   -5   22   18 o  191.136   9.3287  458.221   44.526  388.099   61.064  537.833   65.065  174.847   14.105  206.299   12.691 -31.45233 18.97463 
1 1 1   -5   22   19 o  297.828   11.520  1115.34   85.680  1106.73  119.963  1124.30  122.415  295.201   16.337  297.476   16.544 -2.275330 23.25117 
1 1 1   -5   22   20 o  252.461   14.722  807.794   92.409  724.669  130.859  890.483  130.514  236.743   22.401  263.510   19.983 -26.76692 30.01866 
1 1 1   -5   22   21 o  187.702   13.263  446.321   61.766  430.003   87.969  462.188   86.744  182.674   19.590  189.753   18.543 -7.078308 26.97445 
1 1 1   -5   22   22 o  260.311   15.011  859.485   97.167  845.803  138.061  872.913  136.777  256.030   21.801  260.345   21.223 -4.314880 30.42567 
1 1 1   -5   22   23 o  439.694   21.214  2475.54  232.928  2296.12  329.728  2654.27  329.092  415.910   31.993  449.286   29.496 -33.37625 43.51485 
1 1 1   -5   22   24 o  182.480   10.120  419.476   45.936  462.120   63.217  371.773   66.862  190.958   13.341  170.621   15.875 20.33737 20.73608 
1 1 1   -5   22   25 o  460.326   15.592  2683.09  179.231  2843.25  252.901  2521.48  254.046  470.919   21.506  442.047   23.094 28.87231 31.55691 
1 1 1   -5   22   26 o  111.020   10.262  156.139   28.128  164.378   37.794  145.909   42.114  113.337   13.627  106.081   16.429 7.256302 21.34486 
1 1 1   -5   22   27 o  144.623   11.908  265.075   42.625  244.017   74.621  275.274   51.932  136.061   22.767  146.920   14.337 -10.85931 26.90510 
1 1 1   -5   22   28 o  163.700   12.841  339.877   52.070  378.746   60.845  233.508  100.652  172.564   14.247  130.573   31.280 41.99036 34.37164 
1 1 1   -5   22   29 o  233.204   10.809  683.764   62.945  687.932   87.429  679.279   90.697  232.672   15.130  231.012   15.817 1.660431 21.88804 
1 1 1   -5   22   30 o  158.544   10.556  317.325   41.553  324.724   57.010  308.940   60.692  159.636   14.458  155.354   15.867 4.281799 21.46622 
1 1 1   -5   22   31 o  231.548   10.380  673.842   60.022  733.034   83.961  611.977   85.836  240.455   14.044  219.181   15.788 21.27460 21.13061 
1 1 1   -5   22   32 o  209.944   9.9310  553.739   52.065  533.525   72.123  575.738   75.239  204.954   14.179  212.930   14.232 -7.975067 20.08961 
1 1 1   -5   22   33 o  114.474   11.060  166.405   31.222  197.272   42.467  130.092   46.062  124.173   13.936   99.298   19.271 24.87416 23.78191 
1 1 1   -5   22   34 o  357.939   18.866  1642.17  168.035  1625.11  244.253  1657.51  231.532  350.612   28.134  355.355   26.278 -4.742554 38.49750 
1 1 1   -5   22   35 o  232.828   15.798  691.935   91.307  641.635  139.873  729.286  120.530  220.153   25.940  237.311   20.541 -17.15817 33.08855 
1 1 1   -5   22   36 o  136.589   16.429  241.030   54.913  134.370   98.042  289.786   66.287  100.614   33.414  149.430   18.136 -48.81623 38.01801 
1 1 1   -5   22   37 o  110.790   15.139  159.024   40.789  311.564  100.740  129.113   44.609  151.022   27.734   98.669   18.791 52.35268 33.50060 
1 1 1   -5   22   38 o  248.315   14.286  787.864   88.210  793.928  165.493  785.457  104.254  241.780   27.924  246.763   17.023 -4.982895 32.70314 
1 1 1   -5   22   39 o  156.881   13.790  316.127   53.477  304.677  116.728  319.169   60.162  145.237   32.942  157.055   15.544 -11.81844 36.42511 
1 1 1   -5   22   40 o  265.495   14.383  905.918   95.002  960.824  182.982  885.657  111.157  263.151   28.290  260.942   17.154 2.209534 33.08429 
1 1 1   -5   22   41 o  163.484   13.921  345.447   56.290  330.684  131.431  348.763   62.293  146.825   36.100  163.649   15.425 -16.82413 39.25696 
1 1 1   -5   22   42 o  221.607   13.848  634.798   76.248  562.071  158.573  656.669   86.960  192.986   34.154  224.379   15.617 -31.39349 37.55526 
1 1 1   -5   22   43 o  167.233   13.798  363.466   57.106  278.003  139.918  380.547   62.552  128.817   39.629  170.631   14.828 -41.81427 42.31240 
1 1 1   -5   22   44 o  122.367   14.652  197.231   43.882  317.148  139.459  184.053   46.231  137.113   38.919  117.497   16.186 19.61652 42.15094 
1 1 1   -5   22   45 o   67.753   18.957   63.638   33.336 -44.9039  149.818   69.292   34.193   72.819   33.896   70.583   18.985 2.235870 38.85087 
1 1 1   -5   22   46 o  182.464   23.164  472.254  103.170   0.0000   0.0000  472.254  103.170  ?   ?   182.464   23.164 0.000000 23.16440 
1 1 1   -5   22   47 o  123.483   24.685  225.249   73.458   0.0000   0.0000  225.249   73.458  ?   ?   123.483   24.685 0.000000 24.68506 
1 1 1   -5   23    1 o   60.324   13.979   47.999   20.646   0.0000   0.0000   47.999   20.646  ?   ?    60.324   13.979 0.000000 13.97890 
1 1 1   -5   23    2 o  413.485   20.552  2208.67  212.209  2208.67  212.209   0.0000   0.0000  413.485   20.552  ?   ?  0.000000 20.55196 
1 1 1   -5   23    3 o  147.393   9.8748  274.539   36.136  225.700   53.914  314.376   48.692  132.018   16.729  157.231   12.505 -25.21257 20.88594 
1 1 1   -5   23    4 o  397.522   13.952  2002.29  138.496  1931.29  196.397  2072.53  195.332  386.721   20.409  401.663   19.474 -14.94278 28.20968 
1 1 1   -5   23    5 o   78.132   11.431   78.528   21.643   53.588   33.091   97.172   28.611   64.207   19.173   86.614   13.682 -22.40654 23.55423 
1 1 1   -5   23    6 o   88.856   13.517  102.031   29.047   83.649   46.871  113.492   37.010   79.364   22.575   93.135   16.518 -13.77063 27.97313 
1 1 1   -5   23    7 o  202.419   9.5639  514.779   48.344  446.723   68.645  581.749   68.095  187.201   14.805  214.295   12.783 -27.09383 19.55996 
1 1 1   -5   23    8 o  270.781   10.653  922.333   72.032  869.608  101.897  974.999  101.840  261.353   15.685  277.082   14.772 -15.72964 21.54606 
1 1 1   -5   23    9 o  446.115   14.849  2519.93  165.428  2416.56  233.793  2623.57  234.107  433.526   21.596  452.227   20.730 -18.70053 29.93530 
1 1 1   -5   23   10 o  345.188   12.419  1502.03  107.048  1502.53  151.221  1501.53  151.557  343.135   17.708  343.001   17.755 0.1336670 25.07642 
1 1 1   -5   23   11 o  423.844   14.007  2269.80  148.252  2100.09  209.031  2441.58  210.296  404.351   20.772  437.298   19.258 -32.94675 28.32518 
1 1 1   -5   23   12 o  408.380   16.080  2114.55  163.981  2099.50  200.068  2145.35  286.231  405.350   19.765  403.909   28.562 1.440826 34.73401 
1 1 1   -5   23   13 o  505.327   24.006  3296.94  302.928  3689.69  428.146  2903.24  428.663  526.367   32.735  462.276   37.455 64.09113 49.74399 
1 1 1   -5   23   14 o  148.640   9.0222  278.185   33.330  219.044   45.753  345.060   48.653  130.934   14.222  165.142   11.877 -34.20830 18.52904 
1 1 1   -5   23   15 o  172.084   9.4401  372.770   40.412  378.566   56.006  366.475   58.369  172.785   13.077  169.820   13.885 2.964386 19.07382 
1 1 1   -5   23   16 o  283.538   11.180  1011.12   79.163  1023.06  110.837  998.682  113.104  283.795   15.701  280.219   16.233 3.576019 22.58351 
1 1 1   -5   23   17 o  412.366   14.180  2148.19  146.021  2188.01  205.801  2107.82  207.217  413.834   19.915  405.412   20.535 8.422424 28.60563 
1 1 1   -5   23   18 o  281.516   11.225  996.863   78.911  1019.09  110.386  973.628  112.848  283.237   15.668  276.597   16.411 6.639923 22.68930 
1 1 1   -5   23   19 o  514.373   16.708  3358.14  214.609  3231.29  302.465  3486.74  304.551  500.105   24.219  520.042   23.451 -19.93686 33.71277 
1 1 1   -5   23   20 o  380.341   13.369  1825.43  126.975  1803.38  178.462  1848.03  180.697  375.534   19.093  380.645   19.010 -5.110748 26.94301 
1 1 1   -5   23   21 o  220.942   10.034  613.179   55.363  578.633   76.497  651.174   80.226  213.476   14.434  226.564   14.252 -13.08768 20.28518 
1 1 1   -5   23   22 o  141.663   9.6062  253.104   33.782  232.129   45.651  278.493   50.226  134.910   13.742  147.890   13.758 -12.98003 19.44555 
1 1 1   -5   23   23 o  159.761   13.093  324.081   51.776  299.762   74.219  347.137   72.264  151.888   20.058  164.236   17.910 -12.34743 26.89082 
1 1 1   -5   23   24 o  278.505   15.526  985.606  107.553  1038.24  153.349  934.648  150.885  283.510   21.828  268.542   22.713 14.96744 31.50155 
1 1 1   -5   23   25 o  226.236   14.379  649.660   80.813  611.643  116.119  685.368  112.538  217.233   21.696  230.775   19.717 -13.54144 29.31691 
1 1 1   -5   23   26 o  119.231   14.162  182.114   41.343  146.423   62.383  210.066   55.207  104.415   24.369  127.302   17.858 -22.88710 30.21181 
1 1 1   -5   23   27 o   69.448   21.004   62.441   39.528   0.0000   0.0000   62.441   39.528  ?   ?    69.448   21.004 0.000000 21.00397 
1 1 1   -5   23   28 o  103.132   11.828  135.657   29.911  139.099   37.324  129.477   50.009  103.846   14.813   98.738   20.932 5.107727 25.64266 
1 1 1   -5   23   29 o  357.956   14.873  1621.89  132.947  1595.32  163.253  1674.20  229.076  353.217   18.574  358.023   25.795 -4.805695 31.78630 
1 1 1   -5   23   30 o  153.514   10.953  297.945   41.714  278.372   52.283  332.227   69.193  147.688   14.358  160.674   17.529 -12.98608 22.65908 
1 1 1   -5   23   31 o  114.741   11.197  167.244   31.675  150.016   39.383  198.805   53.304  107.841   15.033  123.756   17.757 -15.91548 23.26595 
1 1 1   -5   23   32 o  197.903   11.520  494.912   56.686  481.146   70.386  520.322   95.628  194.419   14.604  200.837   19.305 -6.417053 24.20699 
1 1 1   -5   23   33 o  170.398   14.664  370.421   61.791  404.812  100.072  349.229   78.556  175.447   23.426  164.054   19.561 11.39333 30.51909 
1 1 1   -5   23   34 o  158.484   15.230  321.593   59.534  256.656   96.346  361.704   75.720  137.009   29.061  167.242   18.437 -30.23225 34.41588 
1 1 1   -5   23   35 o  206.201   15.415  543.427   78.801  477.468  121.898  590.780  103.283  188.951   26.568  213.576   19.583 -24.62422 33.00575 
1 1 1   -5   23   36 o  207.833   15.079  552.395   77.725  623.903  126.044  508.518   98.732  217.385   23.598  197.465   20.312 19.91995 31.13594 
1 1 1   -5   23   37 f   94.568   16.448  117.576   37.431  224.509   88.740   94.433   41.284  127.027   28.657   83.784   20.008 43.24270 34.95055 
1 1 1   -5   23   38 o   81.824   18.204   89.732   36.236   43.518   91.862   98.248   39.434   75.653   30.840   85.508   18.964 -9.855331 36.20470 
1 1 1   -5   23   39 o  170.867   13.558  374.840   57.375  438.847  123.656  357.280   64.769  177.048   28.971  165.970   15.819 11.07845 33.00833 
1 1 1   -5   23   40 o  155.222   14.465  311.942   55.424  322.650  125.635  309.355   61.759  146.553   34.841  153.833   16.326 -7.280579 38.47611 
1 1 1   -5   23   41 o  173.914   13.808  391.101   59.476  408.743  130.499  386.476   66.819  165.839   32.674  172.007   15.730 -6.167801 36.26322 
1 1 1   -5   23   42 o   86.937   17.562  102.512   36.814   71.955  111.151  106.277   39.016   82.874   33.870   88.296   18.296 -5.422630 38.49583 
1 1 1   -5   23   43 o  138.123   14.440  249.965   49.069  323.125  134.266  238.688   52.716  140.398   37.561  134.211   16.047 6.186661 40.84537 
1 1 1   -5   23   44 o   78.980   19.071   86.672   37.187   98.388  137.421   85.746   38.628   89.690   37.257   78.355   19.748 11.33530 42.16743 
1 1 1   -5   23   45 o  131.715   14.577  229.111   47.142  141.991  144.066  239.558   49.888   96.527   38.884  134.444   15.122 -37.91684 41.72083 
1 1 1   -5   23   46 o  248.245   16.370  822.299  100.907   0.0000   0.0000  822.299  100.907  ?   ?   248.245   16.370 0.000000 16.36953 
1 1 1   -5   24    1 o   88.155   16.417  102.459   34.810   82.364   49.818  121.630   48.660   78.551   23.540   95.012   21.062 -16.46040 31.58707 
1 1 1   -5   24    2 o  314.565   12.200  1252.19   95.833  1174.02  137.236  1326.58  133.884  301.581   18.309  321.492   16.734 -19.91113 24.80469 
1 1 1   -5   24    3 o  167.034   9.4076  352.153   39.081  388.449   58.839  323.502   52.277  174.466   13.613  159.212   13.270 15.25406 19.01053 
1 1 1   -5   24    4 f   90.159   11.095  104.047   24.453   90.341   39.029  112.903   31.374   82.187   19.339   93.366   13.879 -11.17963 23.80399 
1 1 1   -5   24    5 o  246.435   10.650  765.333   65.537  702.484   93.685  825.565   91.714  234.192   16.118  254.562   14.487 -20.36934 21.67168 
1 1 1   -5   24    6 f  156.878   9.6486  310.702   37.615  285.998   54.639  332.959   51.862  149.345   14.848  161.727   12.950 -12.38184 19.70171 
1 1 1   -5   24    7 o  133.723   10.637  226.602   35.227  224.217   46.114  229.946   54.588  132.261   14.183  133.290   16.771 -1.028732 21.96466 
1 1 1   -5   24    8 o  265.116   15.184  895.527  100.104  862.476  143.480  926.873  139.730  257.079   22.579  267.280   21.107 -10.20093 30.90778 
1 1 1   -5   24    9 o  284.368   11.239  1018.99   79.811  980.256  112.913  1057.67  112.825  277.030   16.395  288.045   15.745 -11.01443 22.73086 
1 1 1   -5   24   10 o  280.954   10.923  993.967   76.638  990.817  108.196  997.140  108.571  278.877   15.599  279.766   15.603 -0.8888855 22.06289 
1 1 1   -5   24   11 o  173.098   9.3544  377.479   40.285  370.354   56.811  384.685   57.133  170.644   13.441  173.977   13.250 -3.333221 18.87379 
1 1 1   -5   24   12 o  376.266   13.354  1789.30  125.473  1897.70  177.342  1680.65  177.549  385.400   18.427  361.595   19.737 23.80499 27.00206 
1 1 1   -5   24   13 o  245.720   10.307  759.280   63.245  789.104   88.724  728.471   90.177  249.285   14.313  239.236   15.173 10.04985 20.85848 
1 1 1   -5   24   14 o  351.028   14.425  1559.82  126.445  1509.73  153.482  1665.63  223.081  343.626   17.949  357.009   25.184 -13.38379 30.92559 
1 1 1   -5   24   15 o  171.372   14.462  374.263   61.312  452.804   83.260  281.216   90.623  187.640   17.989  144.959   25.989 42.68141 31.60803 
1 1 1   -5   24   16 o  140.754   9.4276  249.898   32.945  246.121   44.907  254.301   48.481  139.029   13.089  141.160   13.935 -2.131744 19.11831 
1 1 1   -5   24   17 o  121.248   9.3921  185.696   28.215  150.747   37.991  228.686   42.135  108.238   14.414  134.044   12.741 -25.80662 19.23786 
1 1 1   -5   24   18 f  226.183   9.9096  642.821   55.971  614.452   77.617  673.557   80.789  219.965   14.206  230.366   14.112 -10.40096 20.02397 
1 1 1   -5   24   19 o  272.537   10.837  934.441   73.757  888.878  102.671  983.030  106.027  264.301   15.625  278.086   15.327 -13.78607 21.88794 
1 1 1   -5   24   20 f  286.316   11.396  1032.13   81.482  1070.90  113.752  991.267  116.773  290.141   15.759  278.739   16.855 11.40121 23.07506 
1 1 1   -5   24   21 o  441.674   15.088  2471.45  166.410  2488.35  234.285  2454.25  236.407  440.020   21.322  436.788   21.674 3.232391 30.40355 
1 1 1   -5   24   22 o  362.241   12.976  1656.18  117.380  1619.50  164.538  1694.19  167.502  355.754   18.586  363.929   18.492 -8.175598 26.21783 
1 1 1   -5   24   23 o  139.199   9.7598  244.589   33.711  237.709   45.213  253.201   50.587  136.551   13.433  140.713   14.609 -4.162262 19.84656 
1 1 1   -5   24   24 o  302.229   11.575  1150.36   87.359  1104.19  121.310  1200.09  125.907  294.340   16.572  306.924   16.488 -12.58362 23.37662 
1 1 1   -5   24   25 o  135.799   9.8376  232.885   33.135  222.855   44.173  245.789   50.105  132.144   13.579  138.596   14.701 -6.452530 20.01328 
1 1 1   -5   24   26 o  197.329   16.070  497.370   78.502   0.0000   0.0000  497.370   78.502  ?   ?   197.329   16.070 0.000000 16.07049 
1 1 1   -5   24   27 o   75.100   24.116   71.838   51.282   71.838   51.282   0.0000   0.0000   75.100   24.116  ?   ?  0.000000 24.11640 
1 1 1   -5   24   28 o  202.189   14.026  519.322   70.380  548.717  103.058  493.631   96.345  205.984   20.299  195.366   20.032 10.61818 28.51883 
1 1 1   -5   24   29 o  231.411   14.613  680.561   84.013  730.867  123.217  636.856  114.848  237.695   20.974  221.763   20.988 15.93210 29.67172 
1 1 1   -5   24   30 o  256.505   15.515  837.552   98.909  819.506  143.768  853.769  136.289  250.779   23.221  256.780   21.451 -6.001144 31.61240 
1 1 1   -5   24   31 o  192.860   14.470  473.532   69.180  479.494  104.188  468.830   92.519  191.649   22.180  190.333   19.753 1.315948 29.70081 
1 1 1   -5   24   32 o  301.311   16.429  1158.12  123.150  1313.82  182.235  1027.25  167.072  317.769   23.124  280.306   24.103 37.46313 33.40132 
1 1 1   -5   24   33 o  140.524   15.296  253.550   52.810  234.401   85.918  265.177   66.950  131.421   27.081  142.630   19.292 -11.20839 33.24987 
1 1 1   -5   24   34 f   69.382   20.008   63.426   36.577   81.672   70.874   56.802   42.703   81.594   28.387   67.246   22.039 14.34745 35.93758 
1 1 1   -5   24   35 f   82.958   19.756   92.137   40.341  118.778   82.174   83.678   46.305   94.374   30.551   79.102   22.417 15.27205 37.89323 
1 1 1   -5   24   36 o  129.790   16.133  218.456   51.160  229.637   93.270  213.645   61.186  128.183   29.717  127.127   19.929 1.055443 35.78052 
1 1 1   -5   24   37 o   66.117   19.154   57.981   33.450   60.622   79.636   57.415   36.860   76.613   29.500   66.188   20.337 10.42482 35.83086 
1 1 1   -5   24   38 o  153.318   13.628  302.076   51.632  379.215  104.957  277.449   59.304  166.219   26.150  145.894   16.572 20.32507 30.95857 
1 1 1   -5   24   39 o  187.043   13.699  449.849   63.541  604.403  131.146  402.440   72.635  210.021   25.531  175.589   16.769 34.43243 30.54560 
1 1 1   -5   24   40 o   90.544   17.841  110.484   38.905   78.944   99.611  116.161   42.261   83.418   32.746   92.524   18.929 -9.105942 37.82342 
1 1 1   -5   24   41 o  160.630   14.149  335.221   56.175  286.260  122.651  348.218   63.192  135.086   35.787  163.009   15.719 -27.92241 39.08739 
1 1 1   -5   24   42 o   96.430   17.762  126.051   41.196  246.860  118.738  109.519   43.924  123.884   36.144   88.801   20.256 35.08279 41.43324 
1 1 1   -5   24   43 o  126.333   15.746  211.758   48.597  163.952  135.212  218.850   52.077  102.007   38.640  128.010   16.688 -26.00281 42.08953 
1 1 1   -5   24   44 o   71.515   19.186   71.244   34.975  170.624  124.463   62.724   36.443  102.362   37.393   67.296   20.126 35.06595 42.46547 
1 1 1   -5   24   45 f   83.836   18.942   98.202   38.722  120.650  136.299   96.231   40.386   91.649   37.487   82.629   19.826 9.019264 42.40683 
1 1 1   -5   24   46 o  141.112   16.487  268.514   57.002   0.0000   0.0000  268.514   57.002  ?   ?   141.112   16.487 0.000000 16.48717 
1 1 1   -5   25    1 o  151.519   10.765  291.450   40.466  215.843   60.985  350.924   54.089  127.640   19.773  165.687   13.182 -38.04704 23.76381 
1 1 1   -5   25    2 o  181.933   9.7938  418.383   44.332  429.582   66.546  409.446   59.442  182.989   14.687  179.028   13.393 3.961075 19.87641 
1 1 1   -5   25    3 f  176.481   13.904  398.410   60.778  369.526   87.047  425.885   84.898  167.250   21.327  180.643   19.110 -13.39365 28.63675 
1 1 1   -5   25    4 o  127.754   10.640  207.312   33.635  151.708   51.058  249.943   44.707  106.725   19.890  139.825   12.951 -33.10077 23.73449 
1 1 1   -5   25    5 o  231.468   10.088  675.125   58.309  696.318   84.707  656.038   80.387  233.482   14.602  226.717   14.272 6.764053 20.41775 
1 1 1   -5   25    6 o  221.953   10.434  620.980   57.832  583.966   82.866  656.126   80.748  213.441   15.656  226.770   14.333 -13.32962 21.22622 
1 1 1   -5   25    7 o  160.290   9.9773  324.742   39.738  283.901   57.580  361.885   54.912  148.439   15.775  168.515   13.153 -20.07620 20.53948 
1 1 1   -5   25    8 o  106.154   10.349  143.262   27.085  119.366   40.374  162.816   36.523   95.137   17.644  112.636   13.237 -17.49961 22.05765 
1 1 1   -5   25    9 o  399.135   19.842  2052.60  197.767  1990.76  281.147  2113.17  278.246  385.092   29.459  397.976   28.180 -12.88419 40.76718 
1 1 1   -5   25   10 o  111.754   13.505  160.376   36.924   74.560   55.634  227.933   49.362   76.509   25.159  133.105   15.119 -56.59600 29.35235 
1 1 1   -5   25   11 o  205.382   9.8857  530.663   50.701  529.985   71.601  531.344   71.804  203.985   14.144  204.241   14.166 -0.2563782 20.01794 
1 1 1   -5   25   12 o  129.078   9.5302  210.580   30.502  145.173   42.660  278.987   43.628  105.496   16.753  148.225   11.887 -42.72989 20.54189 
1 1 1   -5   25   13 o  232.172   10.164  678.223   58.926  712.954   82.874  642.710   83.803  236.814   14.077  224.518   15.034 12.29567 20.59589 
1 1 1   -5   25   14 o  172.688   9.6410  376.030   41.409  357.184   57.485  396.356   59.701  167.406   13.876  176.459   13.655 -9.052567 19.46781 
1 1 1   -5   25   15 o  170.260   9.3953  365.346   39.791  377.561   55.009  351.940   57.630  172.400   12.870  166.145   14.021 6.254776 19.03254 
1 1 1   -5   25   16 o   65.918   13.002   56.773   20.642   32.787   27.529   87.576   31.197   52.378   17.709   81.683   15.866 -29.30493 23.77675 
1 1 1   -5   25   17 o   38.030   16.521  -4.0773   29.181  -0.6497   34.039 -13.5815   56.681   42.225   18.088   51.286   22.630 -9.061020 28.97026 
1 1 1   -5   25   18 o  135.541   11.075  232.860   37.159  217.333   61.222  241.917   46.757  128.848   19.649  137.617   13.791 -8.769531 24.00625 
1 1 1   -5   25   19 o  191.451   9.2738  460.400   44.337  370.191   60.408  565.742   65.279  170.395   14.330  211.374   12.422 -40.97874 18.96432 
1 1 1   -5   25   20 o  359.433   12.873  1631.62  115.543  1556.21  161.810  1710.08  165.042  348.391   18.667  365.965   18.059 -17.57431 25.97288 
1 1 1   -5   25   21 o  169.378   9.5179  361.565   40.094  330.314   54.060  399.771   59.774  161.079   13.566  177.304   13.604 -16.22441 19.21194 
1 1 1   -5   25   22 f  345.573   12.434  1506.93  107.301  1439.01  149.901  1578.29  153.661  335.336   17.966  351.855   17.488 -16.51938 25.07240 
1 1 1   -5   25   23 o  189.437   9.7388  452.150   45.915  412.766   61.920  500.256   68.434  180.124   13.873  198.388   13.901 -18.26428 19.63922 
1 1 1   -5   25   24 o  234.237   10.456  690.166   61.163  691.427   83.943  688.740   89.299  233.231   14.484  232.488   15.470 0.7430573 21.19226 
1 1 1   -5   25   25 o  100.078   13.429  128.755   32.713  124.137   52.970  131.603   41.593   96.239   22.452  100.327   17.222 -4.088631 28.29637 
1 1 1   -5   25   26 o  286.332   13.730  1036.78   98.172  1091.82  116.343  900.677  182.943  292.769   15.974  260.130   28.637 32.63934 32.79087 
1 1 1   -5   25   27 o  141.088   10.355  251.673   36.230  251.522   48.066  251.871   55.131  140.351   13.897  139.935   16.068 0.4156189 21.24405 
1 1 1   -5   25   28 o  137.851   10.548  240.447   36.034  251.122   47.660  226.202   55.055  140.258   13.786  132.255   17.068 8.002884 21.94013 
1 1 1   -5   25   29 o  287.491   11.696  1041.79   83.967  1071.78  116.273  1009.10  121.386  289.951   16.122  280.844   17.394 9.106934 23.71638 
1 1 1   -5   25   30 o  136.562   10.705  236.139   36.212  288.780   48.309  168.625   54.709  150.651   12.968  113.052   20.116 37.59970 23.93388 
1 1 1   -5   25   31 o  197.145   13.719  494.151   67.119  578.562  115.735  451.375   82.389  210.436   22.367  187.203   17.840 23.23311 28.60993 
1 1 1   -5   25   32 o  349.832   16.724  1560.11  146.101  2112.19  253.488  1285.49  178.784  400.984   25.447  313.978   22.962 87.00632 34.27503 
1 1 1   -5   25   33 o  144.288   14.931  267.185   53.019  347.959   86.635  218.820   67.038  162.596   21.893  128.450   21.671 34.14635 30.80496 
1 1 1   -5   25   34 o  132.076   15.655  225.227   50.627  323.273   88.382  177.346   61.763  155.833   23.438  115.018   22.309 40.81569 32.35750 
1 1 1   -5   25   35 o   70.988   20.224   67.046   37.586  142.686   77.542   43.816   42.972  101.496   29.093   61.781   22.051 39.71493 36.50517 
1 1 1   -5   25   36 o  125.012   14.788  202.102   45.271  168.770   88.266  214.001   52.735  109.219   30.949  128.035   16.907 -18.81638 35.26637 
1 1 1   -5   25   37 f  184.451   14.274  437.155   65.234  401.783  121.934  451.339   77.214  169.045   29.983  186.456   16.762 -17.41066 34.35036 
1 1 1   -5   25   38 o   92.647   17.427  114.600   38.838  195.456   91.808   96.977   42.862  115.975   31.073   84.271   20.552 31.70345 37.25492 
1 1 1   -5   25   39 o  109.404   15.730  157.574   41.739  267.741   94.587  130.936   46.512  136.603   28.643   98.177   19.657 38.42626 34.73974 
1 1 1   -5   25   40 o   70.424   19.705   67.846   36.018   58.538   90.241   69.610   39.283   76.546   30.796   71.299   20.786 5.247185 37.15413 
1 1 1   -5   25   41 o  259.391   15.102  876.984   97.400  936.168  181.604  853.085  115.402  254.273   29.126  253.298   18.369 0.9750366 34.43465 
1 1 1   -5   25   42 o  100.559   17.380  136.789   42.065  228.310  118.764  123.660   44.981  118.142   36.538   94.534   19.694 23.60799 41.50760 
1 1 1   -5   25   43 o   68.357   19.787   64.808   35.711  112.686  112.203   59.411   37.670   89.539   34.865   65.849   20.613 23.69012 40.50282 
1 1 1   -5   25   44 f   60.505   19.984   48.887   35.087  -4.7497  123.404   53.605   36.598   71.164   32.239   62.873   20.392 8.290668 38.14681 
1 1 1   -5   25   45 o   29.792   14.190 -34.2595   29.099   0.0000   0.0000 -34.2595   29.099  ?   ?    29.792   14.190 0.000000 14.19027 
1 1 1   -5   26    1 o  252.762   11.161  808.844   70.449  767.684  103.760  844.045   95.957  243.422   17.180  256.356   15.055 -12.93413 22.84319 
1 1 1   -5   26    2 o  168.124   10.195  358.150   42.601  321.375   65.130  385.647   56.319  157.226   16.851  173.683   13.081 -16.45671 21.33257 
1 1 1   -5   26    3 o   81.857   12.167   86.714   24.114  102.870   43.404   79.501   29.002   87.266   20.300   77.529   15.522 9.737183 25.55411 
1 1 1   -5   26    4 o  221.599   10.593  620.112   58.621  589.213   85.824  647.135   80.260  213.847   16.191  224.891   14.367 -11.04359 21.64631 
1 1 1   -5   26    5 o   65.626   20.199   56.221   36.345   63.563   49.928   47.944   53.011   70.978   23.849   66.053   24.362 4.924896 34.09226 
1 1 1   -5   26    6 o  242.276   10.651  740.868   64.439  709.953   92.927  769.503   89.434  235.112   15.922  245.324   14.666 -10.21136 21.64670 
1 1 1   -5   26    7 o  300.178   11.838  1139.79   88.737  1126.39  126.578  1152.74  124.435  295.832   17.208  299.541   16.702 -3.708801 23.98091 
1 1 1   -5   26    8 o  171.133   10.024  370.242   42.650  323.713   61.747  412.696   58.981  158.490   15.812  179.916   13.220 -21.42661 20.61096 
1 1 1   -5   26    9 o  279.273   10.855  984.011   75.705  1061.55  107.937  908.930  106.211  288.329   15.043  266.329   16.045 21.99908 21.99380 
1 1 1   -5   26   10 o  206.267   10.286  536.102   52.983  466.010   75.094  605.581   74.765  190.484   15.933  218.020   13.804 -27.53656 21.08119 
1 1 1   -5   26   11 o  235.611   14.443  707.878   84.568  676.089  121.952  737.326  117.374  227.270   21.754  238.290   19.907 -11.02058 29.48772 
1 1 1   -5   26   12 o  281.244   15.914  1011.37  111.307  901.882  158.732  1117.29  156.125  261.287   24.618  292.876   21.497 -31.58929 32.68265 
1 1 1   -5   26   13 o  383.926   13.613  1868.18  130.515  1886.39  184.306  1849.87  184.847  382.453   19.361  378.562   19.621 3.890350 27.56494 
1 1 1   -5   26   14 o  263.470   10.741  874.729   70.671  811.788   99.198  939.603  100.709  251.997   15.844  271.531   14.909 -19.53397 21.75624 
1 1 1   -5   26   15 o  161.949   9.2776  330.750   37.364  247.775   51.311  424.415   54.516  138.871   15.036  182.954   11.999 -44.08284 19.23696 
1 1 1   -5   26   16 o  233.407   10.480  686.020   61.083  703.526   85.333  667.625   87.475  235.000   14.614  228.647   15.410 6.352554 21.23746 
1 1 1   -5   26   17 o  174.436   9.6437  383.771   41.845  370.358   57.646  398.711   60.838  170.488   13.655  176.874   13.886 -6.385117 19.47467 
1 1 1   -5   26   18 o  125.605   10.096  199.757   31.399  255.160   42.385  132.368   46.745  141.671   12.097   99.954   19.428 41.71682 22.88582 
1 1 1   -5   26   19 o  268.012   16.429  918.226  109.425  1024.21  150.401  799.024  159.501  280.787   21.616  245.426   26.443 35.36058 34.15346 
1 1 1   -5   26   20 o  273.528   16.728  956.903  113.710  1075.45  155.971  822.415  166.130  287.672   21.876  248.676   27.196 38.99562 34.90200 
1 1 1   -5   26   21 o  231.213   10.234  672.635   59.092  637.705   81.074  712.223   86.309  223.796   14.587  236.531   14.685 -12.73448 20.69823 
1 1 1   -5   26   22 o   82.519   11.982   87.644   23.969  102.933   31.106   65.298   37.605   89.023   14.491   70.423   20.282 18.59988 24.92669 
1 1 1   -5   26   23 o  429.088   14.570  2334.23  156.114  2180.68  218.724  2493.70  222.893  410.647   21.403  440.393   20.268 -29.74631 29.47688 
1 1 1   -5   26   24 o  176.806   9.9322  394.308   43.675  339.916   58.618  462.182   65.481  163.139   14.541  190.597   13.852 -27.45863 20.08326 
1 1 1   -5   26   25 o  162.173   10.112  332.056   40.747  341.444   54.346  320.002   61.581  163.784   13.405  157.924   15.828 5.859695 20.74192 
1 1 1   -5   26   26 o  196.816   10.305  488.673   50.471  510.802   67.789  461.150   75.601  200.479   13.621  189.768   16.106 10.71138 21.09347 
1 1 1   -5   26   27 o  304.239   12.454  1168.74   94.617  1254.08  130.835  1075.16  136.996  313.312   16.783  289.065   19.086 24.24634 25.41556 
1 1 1   -5   26   28 o  174.256   10.319  383.405   44.703  364.869   59.612  407.223   67.572  169.118   14.248  178.444   15.312 -9.326538 20.91596 
1 1 1   -5   26   29 o  102.250   11.391  133.381   28.591  111.025   36.665  168.069   45.671   92.040   16.561  113.753   16.564 -21.71294 23.42324 
1 1 1   -5   26   30 o  171.908   10.521  373.442   44.947  381.977   59.686  362.262   68.312  173.105   13.925  167.850   16.511 5.255051 21.59947 
1 1 1   -5   26   31 o  200.232   11.074  506.904   55.155  530.995   74.691  478.013   81.792  203.981   14.763  192.738   17.174 11.24326 22.64709 
1 1 1   -5   26   32 o  337.374   13.098  1441.20  110.347  1510.77  153.655  1367.10  158.569  342.874   18.009  325.258   19.614 17.61563 26.62791 
1 1 1   -5   26   33 o  129.743   10.977  213.860   35.230  242.142   46.354  175.181   54.209  137.492   13.683  115.096   19.561 22.39549 23.87123 
1 1 1   -5   26   34 o  145.574   10.959  269.070   39.545  297.998   52.634  231.577   59.921  152.479   13.979  132.881   18.565 19.59741 23.23926 
1 1 1   -5   26   35 o  164.295   10.873  342.624   44.359  362.189   59.562  318.257   66.471  167.951   14.339  156.361   17.314 11.58975 22.48084 
1 1 1   -5   26   36 o  218.171   10.715  602.200   58.375  640.960   79.953  557.950   85.427  223.477   14.404  207.501   16.626 15.97624 21.99743 
1 1 1   -5   26   37 o   95.027   12.398  116.786   28.720  117.350   37.038  115.936   45.484   94.122   16.352   92.324   20.283 1.797943 26.05296 
1 1 1   -5   26   38 o  156.196   13.703  314.985   52.907  365.155  101.593  296.315   61.974  161.911   26.007  150.227   16.808 11.68317 30.96591 
1 1 1   -5   26   39 o   86.926   18.376  102.716   38.642  240.593   89.702   71.300   42.818  128.653   28.656   72.232   21.864 56.42122 36.04434 
1 1 1   -5   26   40 o  140.937   14.681  259.866   50.909  458.240  109.805  205.547   57.458  180.733   24.999  123.126   19.324 57.60773 31.59656 
1 1 1   -5   26   41 o  177.307   14.683  411.219   64.425  686.276  132.449  325.970   73.736  221.258   24.376  155.080   19.469 66.17793 31.19710 
1 1 1   -5   26   42 o   77.067   19.821   83.056   38.360  187.698  104.146   66.631   41.261  108.088   34.332   69.358   21.551 38.72983 40.53513 
1 1 1   -5   26   43 o   47.886   18.978   19.917   33.758   14.773  105.004   20.510   35.650   69.786   30.797   48.910   19.465 20.87558 36.43263 
1 1 1   -5   26   44 o   94.030   19.037  123.227   43.167   46.526  117.857  135.110   46.390   76.770   33.275   98.292   19.587 -21.52219 38.61234 
1 1 1   -5   26   45 o   37.547   16.666  -6.7446   31.191   0.0000   0.0000  -6.7446   31.191  ?   ?    37.547   16.666 0.000000 16.66633 
1 1 1   -5   27    1 o   82.844   16.116   91.241   32.139  122.543   88.117   86.437   34.517   94.178   31.683   80.185   17.711 13.99278 36.29728 
1 1 1   -5   27    2 o  229.692   11.580  670.930   66.207  605.524   98.414  725.007   89.484  215.158   18.496  237.270   15.182 -22.11156 23.92951 
1 1 1   -5   27    3 o  136.510   10.799  237.209   36.512  214.068   59.469  251.211   46.257  126.964   19.370  139.799   13.415 -12.83534 23.56224 
1 1 1   -5   27    4 f  282.453   11.946  1011.93   84.257  966.949  121.712  1053.33  116.757  272.906   17.960  285.761   16.431 -12.85495 24.34193 
1 1 1   -5   27    5 o   91.281   11.379  107.040   25.376  114.252   44.586  103.585   30.861   92.070   19.967   89.049   14.367 3.021706 24.59911 
1 1 1   -5   27    6 f   46.199   14.968   26.543   19.721 -48.0156   38.337   53.372   22.997   34.109   16.258   63.430   14.791 -29.32103 21.97889 
1 1 1   -5   27    7 o  111.143   16.993  162.034   45.665  186.574   62.273  133.488   67.163  117.731   21.990   98.210   26.689 19.52113 34.58128 
1 1 1   -5   27    8 f  171.310   10.163  371.417   43.284  348.528   63.242  391.587   59.367  164.431   15.588  174.977   13.696 -10.54561 20.75008 
1 1 1   -5   27    9 o  127.545   10.413  206.555   32.875  157.094   48.741  247.837   44.529  109.001   18.572  139.195   12.960 -30.19366 22.64689 
1 1 1   -5   27   10 o  102.696   11.191  134.749   28.236  116.545   42.284  149.398   37.932   93.543   18.754  107.415   14.513 -13.87264 23.71407 
1 1 1   -5   27   11 o  289.017   11.335  1055.28   81.806  1084.61  116.117  1026.38  115.270  290.896   16.047  282.798   16.393 8.098358 22.93966 
1 1 1   -5   27   12 o  121.140   10.222  186.230   30.632  150.296   43.981  220.083   42.689  107.114   17.011  131.105   13.220 -23.99066 21.54392 
1 1 1   -5   27   13 o  182.013   13.021  421.866   58.790  452.808   86.697  395.526   79.992  186.670   18.857  174.426   18.654 12.24448 26.52462 
1 1 1   -5   27   14 o  201.942   13.795  519.851   69.152  463.472   99.879  571.761   95.838  187.784   21.699  210.184   18.446 -22.39938 28.47962 
1 1 1   -5   27   15 o   77.910   12.286   78.555   23.112   46.597   32.782  110.138   32.589   60.544   19.265   92.003   14.678 -31.45875 24.21914 
1 1 1   -5   27   16 o  342.686   12.720  1486.11  108.847  1522.72  152.951  1448.54  154.935  344.237   17.854  335.334   18.575 8.902985 25.76406 
1 1 1   -5   27   17 o  175.965   9.8270  390.867   43.009  419.847   59.428  358.994   62.324  181.618   13.193  167.366   15.074 14.25185 20.03200 
1 1 1   -5   27   18 o  245.791   10.971  761.682   67.336  767.516   93.651  755.440   96.886  245.137   15.376  242.947   16.060 2.190353 22.23448 
1 1 1   -5   27   19 f  101.507   10.878  131.311   27.145  126.961   36.296  136.834   40.893   98.849   15.190  102.350   16.566 -3.501457 22.47572 
1 1 1   -5   27   20 o  222.239   10.445  622.011   57.966  658.728   79.956  581.333   84.158  227.476   14.146  213.085   15.931 14.39130 21.30485 
1 1 1   -5   27   21 f  270.036   12.596  921.805   84.940  925.966  100.627  911.492  158.415  269.555   15.009  263.149   24.384 6.405914 28.63298 
1 1 1   -5   27   22 o  271.400   16.676  942.888  112.469  976.680  151.458  901.349  167.922  273.600   22.364  260.738   26.142 12.86224 34.40268 
1 1 1   -5   27   23 f  148.770   10.186  279.836   37.615  288.401   50.242  268.912   56.741  150.336   13.528  144.502   15.992 5.834412 20.94667 
1 1 1   -5   27   24 o  167.113   11.970  354.296   49.623  332.287   79.707  368.225   63.410  159.389   20.501  169.598   15.131 -10.20959 25.48023 
1 1 1   -5   27   25 o  125.033   13.885  200.419   42.622  200.419   42.622   0.0000   0.0000  125.033   13.885  ?   ?  0.000000 13.88523 
1 1 1   -5   27   26 o  289.973   11.619  1060.88   84.139  1068.14  115.418  1052.64  122.916  289.191   16.045  286.578   17.256 2.612518 23.56320 
1 1 1   -5   27   27 o  336.905   13.034  1436.03  109.659  1505.59  152.257  1361.06  158.069  342.575   17.860  324.795   19.580 17.78043 26.50214 
1 1 1   -5   27   28 o   84.149   12.926   91.570   26.294   86.933   33.274   99.281   42.909   81.080   16.978   86.127   20.285 -5.047539 26.45256 
1 1 1   -5   27   29 o  269.158   11.286  913.839   75.860  887.729  103.280  944.428  111.788  263.574   15.764  271.570   16.563 -7.995483 22.86552 
1 1 1   -5   27   30 o  153.543   10.516  298.416   40.076  296.434   52.332  301.227   62.321  152.258   13.918  152.747   16.606 -0.4884338 21.66694 
1 1 1   -5   27   31 o  245.352   11.104  759.662   68.030  797.492   92.186  714.421  100.811  249.938   14.837  235.598   17.255 14.33965 22.75649 
1 1 1   -5   27   32 o  240.769   11.330  732.342   68.122  745.054   92.246  717.094  101.032  241.208   15.395  235.860   17.274 5.347809 23.13830 
1 1 1   -5   27   33 o  103.529   11.454  137.146   29.115  120.124   37.102  164.432   46.974   95.660   16.103  111.904   17.373 -16.24356 23.68856 
1 1 1   -5   27   34 o   74.626   14.516   73.407   26.078   96.904   32.810   33.100   42.972   85.659   15.925   57.540   21.786 28.11847 26.98602 
1 1 1   -5   27   35 o  122.513   10.947  191.504   33.137  183.575   42.844  203.309   52.277  118.898   14.747  124.362   17.302 -5.463921 22.73375 
1 1 1   -5   27   36 o  179.956   11.020  412.206   49.283  454.435   66.385  360.355   73.560  187.806   14.262  165.537   18.089 22.26820 23.03517 
1 1 1   -5   27   37 o   94.274   12.704  115.433   29.147   96.112   37.191  146.191   46.925   84.273   18.205  104.243   18.714 -19.97045 26.10789 
1 1 1   -5   27   38 o  245.539   11.692  769.207   71.687  907.027   99.330  619.385  103.565  264.363   15.109  215.591   19.446 48.77127 24.62572 
1 1 1   -5   27   39 o  241.389   14.395  756.474   86.378  995.674  156.319  651.333  103.638  268.852   23.520  220.835   18.978 48.01730 30.22163 
1 1 1   -5   27   40 o  143.429   15.394  271.159   54.273  363.847  118.973  246.802   60.988  154.567   31.882  135.191   18.555 19.37546 36.88832 
1 1 1   -5   27   41 o  153.502   14.780  309.893   55.954  346.177  111.901  297.797   64.612  150.797   30.758  148.834   17.733 1.963043 35.50413 
1 1 1   -5   27   42 o  107.473   17.852  157.472   46.229  168.596  105.264  154.814   51.457  102.090   34.627  105.308   20.303 -3.218208 40.14088 
1 1 1   -5   27   43 o   54.570   20.339   34.345   37.143   60.583  111.482   31.069   39.394   78.123   33.073   54.018   20.762 24.10521 39.05003 
1 1 1   -5   27   44 o   86.608   21.463  108.137   46.185   0.0000   0.0000  108.137   46.185  ?   ?    86.608   21.463 0.000000 21.46339 
1 1 1   -5   28    1 o  128.602   10.327  210.919   32.884  288.415   58.198  174.573   39.856  148.561   15.936  115.845   14.066 32.71564 21.25599 
1 1 1   -5   28    2 o   40.677   14.576   18.313   18.794 -15.9127   44.371   25.795   20.747   43.749   19.617   45.909   15.374 -2.159878 24.92332 
1 1 1   -5   28    3 o  182.854   14.330  430.952   64.909  516.459  117.826  393.695   77.775  194.600   24.811  173.038   18.275 21.56201 30.81516 
1 1 1   -5   28    4 o  186.760   11.534  444.292   53.528  388.625   80.650  488.120   71.563  171.647   19.142  194.558   14.842 -22.91095 24.22136 
1 1 1   -5   28    5 o  124.941   11.746  199.772   36.217  146.910   58.315  232.963   46.208  103.385   23.162  134.362   13.976 -30.97751 27.05252 
1 1 1   -5   28    6 o  112.353   11.578  161.656   32.018  182.845   52.525  149.126   40.390  117.458   18.521  106.772   15.609 10.68557 24.22165 
1 1 1   -5   28    7 o  215.055   10.707  584.839   57.501  599.805   84.660  572.023   78.344  215.652   15.832  210.930   14.971 4.722305 21.78906 
1 1 1   -5   28    8 o  161.695   10.936  332.119   43.899  259.624   65.740  390.459   58.974  140.262   19.279  174.594   13.635 -34.33099 23.61284 
1 1 1   -5   28    9 o  183.629   15.234  434.009   69.224  485.438   95.389  376.787  100.617  192.192   20.176  166.899   24.904 25.29272 32.05108 
1 1 1   -5   28   10 o  243.528   10.801  749.328   65.685  715.857   93.524  781.910   92.274  235.886   15.971  246.982   15.033 -11.09566 21.93300 
1 1 1   -5   28   11 o  157.826   10.745  316.000   42.096  258.082   60.549  370.189   58.566  140.612   17.631  170.017   13.916 -29.40450 22.46177 
1 1 1   -5   28   12 o  301.175   12.287  1149.22   92.410  1112.73  130.883  1185.49  130.492  293.459   17.946  303.289   17.301 -9.829468 24.92818 
1 1 1   -5   28   13 o  114.888   10.723  168.010   30.407  155.286   44.200  179.444   41.897  108.901   16.793  117.864   14.543 -8.962631 22.21527 
1 1 1   -5   28   14 o  309.576   12.229  1213.35   94.540  1175.42  133.167  1251.89  134.239  301.936   17.740  311.869   17.305 -9.932770 24.78192 
1 1 1   -5   28   15 o  144.365   11.325  264.839   40.498  283.749   67.955  254.423   50.433  147.269   18.915  140.677   14.567 6.592453 23.87464 
1 1 1   -5   28   16 o  325.765   17.249  1364.04  139.820  1340.79  199.167  1386.63  196.334  317.819   25.305  323.862   24.457 -6.042267 35.19172 
1 1 1   -5   28   17 o  167.334   10.061  353.990   41.847  339.464   57.820  369.969   60.642  162.804   14.370  169.999   14.421 -7.194305 20.35793 
1 1 1   -5   28   18 o  123.363   10.426  193.147   31.817  105.460   43.330  295.758   46.872   88.702   20.035  152.396   12.425 -63.69447 23.57463 
1 1 1   -5   28   19 o  289.663   12.141  1060.96   87.823  1136.89  122.546  980.781  125.925  297.825   16.542  275.711   18.395 22.11429 24.73945 
1 1 1   -5   28   20 o  235.267   10.756  697.934   63.195  701.368   87.223  694.140   91.686  234.321   14.985  232.788   15.867 1.532639 21.82430 
1 1 1   -5   28   21 o  140.847   10.256  251.187   35.825  241.391   47.971  263.539   53.869  137.179   14.210  143.102   15.312 -5.923386 20.88960 
1 1 1   -5   28   22 o  186.178   10.199  437.845   47.239  450.244   63.579  422.566   70.580  187.959   13.638  181.448   15.732 6.511093 20.82100 
1 1 1   -5   28   23 o  132.887   31.184  246.759  101.703   0.0000   0.0000  246.759  101.703  ?   ?   132.887   31.184 0.000000 31.18409 
1 1 1   -5   28   24 o  198.797   20.175  514.894   98.770  514.894   98.770   0.0000   0.0000  198.797   20.175  ?   ?  0.000000 20.17543 
1 1 1   -5   28   25 o  116.036   13.557  172.903   38.542  194.398   58.373  156.290   51.318  121.336   19.959  108.616   19.643 12.72002 28.00419 
1 1 1   -5   28   26 o  396.724   14.037  1997.75  139.060  1977.50  193.619  2019.32  199.849  391.052   19.893  394.870   20.336 -3.817780 28.44812 
1 1 1   -5   28   27 o  193.342   10.575  472.545   50.866  456.388   67.261  494.131   77.744  189.019   14.357  196.197   16.008 -7.178268 21.50264 
1 1 1   -5   28   28 o  275.065   11.318  955.201   77.741  920.884  105.405  996.136  115.121  268.247   15.805  278.673   16.618 -10.42621 22.93409 
1 1 1   -5   28   29 o  228.573   11.031  659.434   62.965  668.536   84.660  648.167   94.194  228.676   14.907  224.394   16.935 4.282333 22.56085 
1 1 1   -5   28   30 o   83.907   13.338   91.449   27.012  102.875   33.967   71.792   44.553   88.460   15.964   73.681   22.303 14.77921 27.42728 
1 1 1   -5   28   31 o   83.579   13.274   90.793   26.777   88.948   33.099   94.288   45.557   81.881   16.752   83.457   21.668 -1.575768 27.38862 
1 1 1   -5   28   32 o  120.373   11.258  184.857   33.447  171.671   42.630  205.972   53.947  114.940   15.227  125.272   17.741 -10.33193 23.37940 
1 1 1   -5   28   33 o   84.784   12.807   93.349   26.269   63.799   32.595  148.110   44.373   68.955   18.532  105.867   17.388 -36.91119 25.41213 
1 1 1   -5   28   34 o  201.956   10.758  517.937   54.059  531.932   71.886  499.722   82.013  203.408   14.242  195.965   16.925 7.442917 22.12024 
1 1 1   -5   28   35 o  194.396   10.707  480.528   51.777  478.701   68.770  482.919   78.671  192.632   14.400  192.517   16.524 0.1152039 21.91855 
1 1 1   -5   28   36 o  150.540   10.808  289.251   40.361  304.628   52.965  267.956   62.328  153.414   13.979  142.182   17.955 11.23241 22.75477 
1 1 1   -5   28   37 f  134.646   11.034  232.298   36.774  233.356   47.798  230.764   57.565  133.718   14.549  131.501   18.003 2.216171 23.14668 
1 1 1   -5   28   38 o  241.540   12.076  747.455   72.838  816.818   99.580  667.640  106.819  249.630   16.060  223.208   19.356 26.42230 25.15056 
1 1 1   -5   28   39 o  128.433   11.727  213.064   37.195  249.155   48.668  162.378   57.675  137.875   14.345  107.410   22.235 30.46540 26.46100 
1 1 1   -5   28   40 o   53.537   20.056   31.835   36.205 -45.6598   84.266   49.379   40.094   55.103   25.573   61.723   21.358 -6.619823 33.31839 
1 1 1   -5   28   41 o  187.263   14.632  460.991   67.880  579.186  128.728  415.468   79.889  199.476   26.498  175.099   18.553 24.37766 32.34760 
1 1 1   -5   28   42 o  137.719   15.795  253.285   53.337  341.351  115.382  229.352   60.150  146.575   32.386  128.998   19.263 17.57664 37.68159 
1 1 1   -5   28   43 o   60.472   21.984   46.274   42.946   0.0000   0.0000   46.274   42.946  ?   ?    60.472   21.984 0.000000 21.98427 
1 1 1   -5   29    1 o  166.195   11.711  354.582   48.293  237.566   77.798  427.941   61.598  129.587   24.946  181.781   13.670 -52.19400 28.44610 
1 1 1   -5   29    2 o  132.047   11.782  224.160   38.443  172.483   64.637  252.446   47.821  110.757   24.058  139.426   13.921 -28.66985 27.79558 
1 1 1   -5   29    3 o   93.122   12.316  112.508   27.938   99.385   54.213  117.253   32.600   84.325   24.371   94.524   14.254 -10.19910 28.23369 
1 1 1   -5   29    4 o   51.454   15.196   34.750   20.874   59.413   49.298   29.362   23.042   68.470   23.683   48.667   16.200 19.80365 28.69410 
1 1 1   -5   29    5 o  165.140   15.682  354.633   63.896  243.504  114.900  404.386   76.880  127.096   35.062  175.468   17.792 -48.37158 39.31754 
1 1 1   -5   29    6 o  114.937   11.589  169.417   32.809  142.070   54.944  184.571   40.901  101.709   22.251  119.327   13.992 -17.61768 26.28474 
1 1 1   -5   29    7 o  134.549   11.392  231.254   37.916  171.084   60.112  271.008   48.861  111.951   22.286  145.054   13.650 -33.10245 26.13362 
1 1 1   -5   29    8 o   70.203   14.440   65.259   24.470   49.763   45.930   71.400   28.915   64.445   22.819   73.108   16.259 -8.663498 28.01865 
1 1 1   -5   29    9 o  123.437   11.057  194.432   33.722  212.113   53.877  183.044   43.239  127.048   17.442  118.689   14.918 8.358688 22.95173 
1 1 1   -5   29   10 o   49.979   20.211   16.184   39.085   6.9596   49.321   31.756   64.080   52.057   22.016   64.412   25.938 -12.35531 34.02176 
1 1 1   -5   29   11 o   74.825   22.016   75.198   43.889   90.820   56.545   51.523   69.610   81.993   25.187   71.467   27.563 10.52591 37.33837 
1 1 1   -5   29   12 o  144.343   10.498  264.558   37.580  241.941   54.830  284.595   51.608  136.343   16.435  148.785   14.057 -12.44186 21.62662 
1 1 1   -5   29   13 o  220.676   10.755  615.410   59.270  634.451   84.304  596.799   83.346  222.227   15.284  215.376   15.602 6.850891 21.84134 
1 1 1   -5   29   14 o  138.461   10.628  243.515   36.468  218.376   52.210  267.466   50.961  129.494   16.522  144.182   14.344 -14.68744 21.87997 
1 1 1   -5   29   15 o  144.268   10.544  264.125   37.722  246.680   53.721  281.092   52.981  137.984   15.880  147.815   14.541 -9.831177 21.53233 
1 1 1   -5   29   16 o  170.253   10.288  366.984   43.534  349.229   61.031  385.375   62.115  164.791   14.995  173.334   14.483 -8.542770 20.84717 
1 1 1   -5   29   17 o  100.639   11.580  129.722   28.573  133.458   41.116  126.233   39.736  100.731   16.947   97.933   16.856 2.798683 23.90240 
1 1 1   -5   29   18 o  189.871   13.370  459.950   62.990  491.084   92.095  432.582   86.346  194.063   19.258  182.019   19.291 12.04417 27.25820 
1 1 1   -5   29   19 o  119.308   10.825  181.116   31.900  183.895   44.231  178.104   46.052  119.167   15.210  116.969   16.201 2.197792 22.22242 
1 1 1   -5   29   20 o  264.927   11.429  887.026   75.612  884.671  104.716  889.591  109.295  262.591   16.046  263.019   16.727 -0.4286804 23.17932 
1 1 1   -5   29   21 o  122.699   10.963  191.524   33.237  168.802   44.671  219.701   49.745  113.856   16.165  130.327   15.595 -16.47039 22.46142 
1 1 1   -5   29   22 o  107.064   18.146  151.139   46.783   0.0000   0.0000  151.139   46.783  ?   ?   107.064   18.146 0.000000 18.14614 
1 1 1   -5   29   23 o  167.436   12.456  356.884   51.709  365.413   57.444  320.457  118.715  169.093   13.722  150.710   32.500 18.38268 35.27787 
1 1 1   -5   29   24 o  220.341   10.769  612.636   59.255  622.953   79.889  600.018   88.348  220.775   14.572  215.952   16.508 4.822937 22.01969 
1 1 1   -5   29   25 o  369.391   13.561  1732.57  125.091  1729.03  173.528  1736.41  180.488  365.600   19.073  365.871   19.829 -0.2708740 27.51285 
1 1 1   -5   29   26 o  149.765   16.310  290.109   60.011  267.369   70.131  352.290  115.969  142.363   20.302  159.231   30.272 -16.86717 36.44940 
1 1 1   -5   29   27 o   96.693   19.772  125.089   46.130  129.535   51.011  105.134  108.069   97.980   21.444   93.481   34.723 4.498344 40.81083 
1 1 1   -5   29   28 o  320.122   12.528  1299.21  100.151  1311.08  137.781  1285.91  145.833  318.935   17.365  315.118   18.615 3.817230 25.45704 
1 1 1   -5   29   29 o  289.836   11.420  1062.81   82.655  944.882  111.249  1208.12  123.490  270.888   16.525  306.603   16.186 -35.71420 23.13150 
1 1 1   -5   29   30 o  115.282   11.388  169.801   32.354  162.321   40.928  182.265   52.830  111.744   15.050  117.374   18.648 -5.630226 23.96331 
1 1 1   -5   29   31 o   82.131   13.741   88.204   27.188  102.561   33.846   62.088   45.648   88.107   15.971   69.375   22.788 18.73216 27.82760 
1 1 1   -5   29   32 o  146.568   10.747  273.406   39.061  257.237   49.994  298.744   62.582  141.082   14.392  151.239   16.857 -10.15685 22.16523 
1 1 1   -5   29   33 f  104.920   12.035  141.789   30.962  147.730   38.762  131.316   51.464  106.250   15.028   97.868   21.633 8.382294 26.34096 
1 1 1   -5   29   34 o  108.371   11.511  150.988   30.674  124.708   38.480  196.795   50.803   96.877   16.497  121.971   17.153 -25.09336 23.79914 
1 1 1   -5   29   35 o  320.629   13.169  1318.17  105.439  1421.25  144.920  1202.22  153.692  329.064   17.701  299.960   20.644 29.10403 27.19353 
1 1 1   -5   29   36 f  185.460   10.645  439.058   49.096  472.919   64.593  392.735   75.551  191.199   13.618  171.999   17.850 19.20003 22.45125 
1 1 1   -5   29   37 o  121.282   11.394  189.587   34.103  182.500   43.132  201.406   55.699  117.640   15.026  121.896   18.911 -4.255371 24.15359 
1 1 1   -5   29   38 o  127.797   11.352  210.678   35.852  216.390   46.190  202.023   56.863  128.182   14.695  121.549   19.385 6.633598 24.32575 
1 1 1   -5   29   39 o   99.336   12.440  129.048   30.182  132.763   37.864  122.576   49.983   99.478   15.768   92.791   21.920 6.686401 27.00193 
1 1 1   -5   29   40 o  156.680   14.635  323.746   56.597  462.744  105.643  267.791   67.028  180.059   24.100  139.363   19.818 40.69653 31.20191 
1 1 1   -5   29   41 o   77.634   20.717   85.863   40.911  115.328   89.379   78.053   46.014   87.271   31.717   73.868   22.726 13.40322 39.01861 
1 1 1   -5   29   42 o   91.407   20.341  118.823   45.234  219.391  101.601   93.961   50.517  114.677   33.427   80.018   23.641 34.65919 40.94272 
1 1 1   -5   29   43 o   68.547   22.811   66.606   45.686   0.0000   0.0000   66.606   45.686  ?   ?    68.547   22.811 0.000000 22.81125 
1 1 1   -5   30    1 o   88.542   21.189  111.163   46.224   65.597   65.564  156.196   65.179   71.785   26.970  102.973   25.485 -31.18788 37.10630 
1 1 1   -5   30    2 o   40.994   14.858   18.676   19.596   15.316   48.745   19.324   21.402   52.950   22.108   42.178   15.491 10.77179 26.99544 
1 1 1   -5   30    3 o   49.037   15.578   31.086   21.443   24.284   51.205   32.532   23.613   56.627   23.048   50.369   16.382 6.258518 28.27720 
1 1 1   -5   30    4 o   98.420   12.842  126.242   30.811  121.720   58.535  127.976   36.236   92.328   24.843   98.292   15.258 -5.964020 29.15424 
1 1 1   -5   30    5 o  103.343   12.046  138.143   30.503  178.662   57.227  122.063   36.051  114.276   20.821   95.942   15.582 18.33435 26.00573 
1 1 1   -5   30    6 o  247.671   12.030  782.660   74.402  705.201  110.012  847.955  101.006  230.591   19.282  255.314   15.922 -24.72305 25.00588 
1 1 1   -5   30    7 o   83.609   16.906   93.798   34.084   45.513   89.152  102.064   36.887   74.095   30.314   87.096   17.566 -13.00154 35.03546 
1 1 1   -5   30    8 o   48.108   15.599   29.148   21.416 -19.9611   46.824   42.139   24.082   44.179   19.950   56.384   16.228 -12.20498 25.71703 
1 1 1   -5   30    9 o   93.651   12.593  113.667   28.704   86.329   51.495  125.989   34.573   79.458   23.961   98.116   14.552 -18.65821 28.03318 
1 1 1   -5   30   10 o   85.516   13.076   95.290   27.036   70.768   48.484  106.355   32.569   73.044   23.448   89.894   15.040 -16.84976 27.85740 
1 1 1   -5   30   11 o  188.703   10.802  452.425   50.693  436.105   74.406  466.562   69.252  183.193   16.440  190.264   14.689 -7.070435 22.04622 
1 1 1   -5   30   12 o  173.518   15.859  390.177   67.959  336.956   89.522  462.565  104.404  157.794   23.430  185.521   23.031 -27.72610 32.85456 
1 1 1   -5   30   13 o  101.687   21.145  140.262   51.943  150.645   65.412  122.539   85.460  104.059   25.396   94.361   31.189 9.697823 40.22103 
1 1 1   -5   30   14 o  290.918   12.222  1074.73   88.791  1110.28  125.933  1039.60  125.210  292.781   17.301  282.978   17.810 9.803467 24.82984 
1 1 1   -5   30   15 o  138.847   10.659  245.135   36.675  250.976   53.406  239.922   50.451  139.087   15.648  136.131   15.095 2.955963 21.74245 
1 1 1   -5   30   16 o   68.366   14.590   61.879   24.151   63.430   38.522   60.875   30.999   69.121   20.697   67.456   18.049 1.665459 27.46118 
1 1 1   -5   30   17 o  246.805   11.289  770.965   69.574  743.939   97.267  799.278   99.557  240.177   16.314  249.093   16.091 -8.915665 22.91464 
1 1 1   -5   30   18 o  159.037   10.474  320.802   41.365  327.685   57.832  313.591   59.190  159.565   14.678  155.831   15.413 3.734482 21.28387 
1 1 1   -5   30   19 o  326.360   13.152  1353.91  107.188  1377.09  150.194  1329.84  153.020  325.837   18.535  319.711   19.256 6.126221 26.72744 
1 1 1   -5   30   20 o  189.038   13.364  456.555   62.680  540.508   92.672  385.764   85.097  203.779   18.410  171.121   20.311 32.65874 27.41253 
1 1 1   -5   30   21 o   58.340   17.577   44.347   27.721  -9.9239   48.108   71.323   33.917   47.411   20.888   72.924   18.574 -25.51306 27.95176 
1 1 1   -5   30   22 o  123.299   11.052  193.671   33.668  217.759   44.964  162.928   50.796  130.039   14.071  110.796   19.046 19.24252 23.67984 
1 1 1   -5   30   23 o  185.552   10.732  436.358   49.513  487.868   66.181  370.874   74.621  195.363   13.652  168.713   17.989 26.65015 22.58257 
1 1 1   -5   30   24 o  200.529   10.781  509.516   53.790  506.910   71.854  512.837   81.129  198.825   14.574  199.280   16.450 -0.4548340 21.97688 
1 1 1   -5   30   25 o  108.114   11.686  149.672   31.049  140.440   40.395  163.001   48.538  103.525   16.153  111.078   18.124 -7.553375 24.27696 
1 1 1   -5   30   26 o  173.665   10.428  382.254   45.015  328.498   58.981  457.250   69.665  159.655   14.968  188.596   14.914 -28.94032 21.13006 
1 1 1   -5   30   27 o  112.543   11.544  162.058   31.984  137.866   40.921  200.041   51.275  102.362   16.576  123.565   17.074 -21.20276 23.79611 
1 1 1   -5   30   28 o  244.805   13.374  765.622   81.446  781.647   92.613  710.931  171.095  246.594   15.113  224.990   31.301 21.60400 34.75792 
1 1 1   -5   30   29 o  261.090   17.482  885.674  113.324  904.462  143.569  854.620  184.580  260.757   22.261  246.956   30.585 13.80148 37.82850 
1 1 1   -5   30   30 o  147.436   12.708  278.860   46.331  275.732   67.465  281.653   63.738  144.195   19.214  146.344   17.808 -2.149185 26.19758 
1 1 1   -5   30   31 o   68.843   14.892   63.142   24.857   48.492   30.276   93.442   43.542   60.610   18.394   82.542   21.057 -21.93231 27.95921 
1 1 1   -5   30   32 o   67.257   14.894   60.420   24.356   57.669   29.824   65.930   42.201   65.391   17.791   70.082   21.798 -4.691383 28.13641 
1 1 1   -5   30   33 o   88.842   12.790  102.928   27.558  101.710   34.108  105.220   46.768   87.242   16.254   87.093   21.607 0.1489716 27.03846 
1 1 1   -5   30   34 o  160.065   11.019  327.796   43.777  322.611   56.201  335.797   69.806  157.438   14.457  158.981   17.894 -1.542404 23.00427 
1 1 1   -5   30   35 o  319.840   13.048  1316.36  104.214  1433.07  142.265  1181.20  153.091  329.606   17.345  295.654   20.870 33.95187 27.13668 
1 1 1   -5   30   36 o  105.814   11.769  145.171   30.571  123.663   37.945  184.959   51.609   95.888   16.438  116.850   18.286 -20.96111 24.58857 
1 1 1   -5   30   37 o  140.005   10.887  252.185   37.763  226.234   47.902  294.792   61.378  130.873   14.924  148.540   16.845 -17.66679 22.50503 
1 1 1   -5   30   38 o   95.337   13.118  119.746   30.404  135.996   37.862   90.242   51.017  100.705   15.557   79.119   23.847 21.58620 28.47310 
1 1 1   -5   30   39 o  143.546   11.502  266.796   40.885  268.323   52.276  264.391   65.608  142.258   14.938  138.473   19.515 3.786026 24.57588 
1 1 1   -5   30   40 o  164.548   11.132  349.798   45.471  367.047   58.701  323.919   71.900  166.840   14.225  153.416   19.187 13.42464 23.88532 
1 1 1   -5   30   41 o   61.636   20.921   51.338   38.423   81.417   82.340   42.965   43.443   77.221   29.923   59.222   22.012 17.99904 37.14728 
1 1 1   -5   30   42 o   44.445   19.346   0.9735   40.172   0.0000   0.0000   0.9735   40.172  ?   ?    44.445   19.346 0.000000 19.34566 
1 1 1   -5   31    1 o  120.234   12.164  189.767   36.018  169.760   66.868  197.944   42.750  105.368   25.654  121.699   14.342 -16.33149 29.39056 
1 1 1   -5   31    2 o  101.013   12.991  134.829   32.010  122.246   61.614  139.481   37.462   89.747   25.994  101.776   15.206 -12.02851 30.11515 
1 1 1   -5   31    3 o  108.577   19.748  164.407   51.571  160.116   73.657  168.534   72.228  102.178   28.025  105.361   27.249 -3.183273 39.08842 
1 1 1   -5   31    4 o   29.424   12.691  -0.8156   16.975  -6.6746   51.704  -0.1078   17.971   48.602   21.521   30.554   13.117 18.04720 25.20319 
1 1 1   -5   31    5 f   76.116   14.757   77.756   27.037  -1.2284   55.351  102.506   30.985   51.600   22.577   87.707   14.665 -36.10747 26.92197 
1 1 1   -5   31    6 o   92.502   13.689  112.668   30.665   90.246   58.503  121.162   36.009   79.994   25.766   95.270   15.681 -15.27663 30.16246 
1 1 1   -5   31    7 o   60.193   15.822   48.911   24.095   8.8648   51.290   60.252   27.294   52.610   22.361   66.634   16.492 -14.02403 27.78448 
1 1 1   -5   31    8 o  115.433   12.922  172.888   36.608  150.564   61.910  184.891   45.395  103.024   24.434  118.382   15.746 -15.35839 29.06852 
1 1 1   -5   31    9 o  128.620   15.624  217.202   49.151  147.894  101.386  238.496   56.197  100.205   33.984  134.207   17.161 -34.00209 38.07080 
1 1 1   -5   31   10 o   45.454   15.578   24.831   21.305  -5.5549   47.451   32.503   23.844   47.599   20.864   50.620   16.462 -3.021118 26.57612 
1 1 1   -5   31   11 o  219.018   10.949  609.283   59.882  639.746   88.095  583.118   81.645  221.782   16.014  211.943   15.534 9.839066 22.31079 
1 1 1   -5   31   12 o   93.648   12.559  113.747   28.629  159.710   50.025   91.361   34.911  109.014   19.071   82.374   17.511 26.64046 25.89084 
1 1 1   -5   31   13 o  168.152   11.241  360.558   46.931  368.400   69.821  354.095   63.387  167.831   16.889  165.075   15.560 2.756744 22.96438 
1 1 1   -5   31   14 o  303.433   17.966  1201.76  135.528  1160.50  185.265  1249.25  198.778  291.688   25.697  301.746   26.654 -10.05820 37.02405 
1 1 1   -5   31   15 o  195.795   16.670  498.787   80.730  531.313  106.136  454.135  124.356  199.444   21.659  180.006   28.623 19.43834 35.89402 
1 1 1   -5   31   16 o  128.789   11.308  211.935   35.999  206.884   53.047  216.247   49.013  125.312   17.423  128.827   15.550 -3.514961 23.35312 
1 1 1   -5   31   17 o  238.367   10.991  719.939   65.421  750.504   92.006  688.682   93.042  241.264   15.351  230.631   16.259 10.63316 22.36098 
1 1 1   -5   31   18 o   63.548   15.481   53.882   24.341   55.332   39.183   52.970   31.062   65.344   21.090   63.170   18.503 2.174206 28.05639 
1 1 1   -5   31   19 o  260.384   11.297  859.435   73.458  950.341  102.898  764.952  104.903  271.763   15.224  242.601   17.432 29.16171 23.14377 
1 1 1   -5   31   20 o  128.383   11.170  210.335   35.453  188.237   50.220  232.289   50.055  119.577   17.323  133.773   15.257 -14.19630 23.08357 
1 1 1   -5   31   21 o  165.697   10.836  348.973   44.590  380.449   60.675  312.010   65.751  171.959   14.258  154.500   17.342 17.45967 22.45064 
1 1 1   -5   31   22 o   46.165   17.339   21.134   27.093 -14.7751   46.202   39.953   33.447   45.152   20.148   57.170   19.518 -12.01775 28.05170 
1 1 1   -5   31   23 o  132.361   11.198  223.515   36.667  243.322   49.379  199.169   54.745  137.143   14.645  122.652   18.445 14.49136 23.55166 
1 1 1   -5   31   24 o  136.852   10.910  238.627   36.974  235.132   49.126  243.193   56.154  134.703   14.851  136.327   16.854 -1.623322 22.46355 
1 1 1   -5   31   25 o  205.887   10.765  538.196   55.156  557.109   73.945  514.477   82.811  208.178   14.311  198.927   16.828 9.250900 22.09062 
1 1 1   -5   31   26 f   77.273   14.502   78.836   26.956   42.981   34.713  133.295   42.781   58.802   19.885  100.022   17.780 -41.21984 26.67475 
1 1 1   -5   31   27 o  153.352   10.592  299.286   40.314  308.902   52.509  285.479   62.918  154.833   13.723  147.412   17.429 7.421799 22.18324 
1 1 1   -5   31   28 o   61.916   16.021   51.363   24.959   15.574   31.343  113.398   41.265   45.773   18.241   91.663   18.662 -45.89051 26.09569 
1 1 1   -5   31   29 o  222.008   10.875  625.804   60.290  649.354   79.320  593.585   92.779  224.414   14.228  212.733   17.624 11.68060 22.64985 
1 1 1   -5   31   30 o  174.047   12.639  389.206   54.559  377.531   58.809  461.347  146.188  170.901   13.900  175.220   34.638 -4.319427 37.32280 
1 1 1   -5   31   31 o   65.451   19.806   57.682   35.141   35.676   36.590  319.095  126.114   55.759   20.289  143.740   35.374 -87.98119 40.77978 
1 1 1   -5   31   32 o   76.921   19.667   81.597   37.923   70.749   39.834  186.624  123.947   71.729   20.937  109.132   37.564 -37.40318 43.00470 
1 1 1   -5   31   33 o  142.055   12.678  261.160   44.500  266.467   63.522  256.045   62.360  140.801   18.515  137.954   18.574 2.847336 26.22588 
1 1 1   -5   31   34 o  189.539   10.833  460.171   51.063  428.728   65.588  508.560   81.365  181.057   14.631  195.920   16.793 -14.86278 22.27279 
1 1 1   -5   31   35 o  232.455   11.368  692.823   65.991  713.329   87.018  665.068  101.238  233.191   15.023  222.501   18.385 10.69012 23.74271 
1 1 1   -5   31   36 o  134.443   11.293  233.540   37.562  268.242   47.485  175.525   61.397  143.183   13.438  110.727   22.958 32.45617 26.60185 
1 1 1   -5   31   37 o  121.107   11.304  190.089   33.791  185.713   42.100  198.014   56.652  118.302   14.558  119.476   19.673 -1.173058 24.47381 
1 1 1   -5   31   38 o  122.742   11.306  195.492   34.265  176.630   42.539  230.344   57.824  114.896   15.199  129.586   18.384 -14.69010 23.85384 
1 1 1   -5   31   39 o   64.874   15.250   57.704   24.288   62.947   28.886   45.054   44.870   67.262   17.146   60.348   22.382 6.914116 28.19487 
1 1 1   -5   31   40 o  106.663   11.975  149.126   31.345  130.114   38.351  187.377   54.399   97.617   16.308  115.596   19.542 -17.97917 25.45250 
1 1 1   -5   31   41 o   75.665   21.357   83.416   42.118  167.274   80.672   51.993   49.382  101.399   29.852   63.282   23.479 38.11755 37.97886 
1 1 1   -5   32    1 o   60.560   15.734   51.836   24.011   76.693   56.860   46.442   26.488   70.701   25.351   57.193   17.171 13.50731 30.61880 
1 1 1   -5   32    2 o  104.751   13.373  147.213   34.183   73.840   65.820  174.312   40.001   71.120   26.955  113.479   14.443 -42.35893 30.58032 
1 1 1   -5   32    3 o  109.846   12.573  159.762   33.866  164.399   67.009  158.171   39.248  102.588   26.095  108.066   14.943 -5.478104 30.07104 
1 1 1   -5   32    4 o  116.336   12.210  177.792   34.943  198.242   65.385  169.617   41.342  115.945   23.390  112.146   15.150 3.797958 27.86749 
1 1 1   -5   32    5 o   99.901   21.708  143.967   52.608  144.002   70.316  143.921   79.286   96.261   27.737   95.025   29.931 1.236130 40.80685 
1 1 1   -5   32    6 o   45.899   15.420   26.634   20.872   95.313   54.557   14.858   22.591   80.575   24.739   40.302   15.658 40.27257 29.27776 
1 1 1   -5   32    7 o  121.765   12.572  193.479   37.678  167.672   65.499  206.243   46.062  106.879   24.988  124.603   15.113 -17.72407 29.20282 
1 1 1   -5   32    8 o  102.102   13.269  136.937   33.031  128.944   59.744  140.455   39.640   93.913   25.024  102.310   16.043 -8.396950 29.72494 
1 1 1   -5   32    9 o  162.083   11.526  338.137   46.349  312.669   73.746  354.766   59.589  151.413   19.993  164.553   14.655 -13.14008 24.78862 
1 1 1   -5   32   10 o  143.516   14.741  269.984   52.080  335.662  108.322  250.237   59.396  150.269   29.918  136.645   17.831 13.62384 34.82896 
1 1 1   -5   32   11 o  165.479   14.398  356.790   58.903  453.622  112.109  319.865   69.229  179.174   25.800  154.675   18.276 24.49866 31.61773 
1 1 1   -5   32   12 f  144.697   11.511  268.845   41.250  277.827   64.996  262.788   53.379  144.090   18.490  141.552   15.347 2.538422 24.02906 
1 1 1   -5   32   13 o  189.702   11.087  459.786   52.295  458.114   77.546  461.180   70.823  186.644   16.818  188.133   15.205 -1.489120 22.67269 
1 1 1   -5   32   14 o   89.897   14.015  106.241   30.437   99.694   51.149  109.830   37.872   84.367   23.439   90.309   17.425 -5.941391 29.20612 
1 1 1   -5   32   15 o  111.755   11.579  160.721   31.844  201.085   50.977  134.890   40.780  123.203   17.024  100.600   16.827 22.60300 23.93689 
1 1 1   -5   32   16 o   80.641   23.602   90.174   50.560   66.689   60.212  146.329   93.106   72.893   26.093  100.083   32.529 -27.18927 41.70124 
1 1 1   -5   32   17 o   74.042   23.711   73.857   49.599   49.824   58.340  136.520   94.205   67.149   25.394   97.469   32.760 -30.32017 41.44943 
1 1 1   -5   32   18 o   53.723   15.784   38.059   22.572   66.327   40.343   25.177   27.235   70.105   21.223   47.947   17.495 22.15760 27.50467 
1 1 1   -5   32   19 o   39.142   15.243   12.810   21.450 -25.2926   38.588   29.847   25.803   38.315   17.610   49.777   17.139 -11.46253 24.57350 
1 1 1   -5   32   20 f  133.292   10.908  226.984   35.989  286.027   53.219  177.231   48.853  148.507   14.537  115.549   17.477 32.95884 22.73235 
1 1 1   -5   32   21 o   62.165   20.683   49.461   37.558   49.461   37.558   0.0000   0.0000   62.165   20.683  ?   ?  0.000000 20.68259 
1 1 1   -5   32   22 o   52.177   16.173   35.304   23.253   60.386   35.439   16.343   30.813   67.007   19.803   45.768   18.134 21.23917 26.85106 
1 1 1   -5   32   23 o  144.817   11.101  267.948   39.839  291.312   54.303  240.717   58.626  149.791   14.707  134.798   17.856 14.99254 23.13269 
1 1 1   -5   32   24 o  144.825   13.750  271.298   49.130  306.184   75.311  245.452   64.824  150.915   20.515  135.230   19.781 15.68489 28.49841 
1 1 1   -5   32   25 o  152.312   11.286  296.685   42.620  312.159   57.110  277.235   64.029  154.908   14.949  144.544   18.138 10.36386 23.50468 
1 1 1   -5   32   26 o   54.468   16.347   39.109   24.009   36.258   32.425   42.570   35.722   54.827   19.194   58.547   20.165 -3.719276 27.83943 
1 1 1   -5   32   27 o   94.887   12.742  117.195   29.429  111.483   38.755  124.975   45.230   90.885   17.713   95.662   19.593 -4.776886 26.41238 
1 1 1   -5   32   28 o  181.214   10.744  419.202   48.404  425.493   63.576  410.527   74.658  181.129   14.169  176.378   17.168 4.750641 22.25975 
1 1 1   -5   32   29 o  232.950   11.233  692.290   65.344  713.893   86.677  663.848   99.456  234.260   14.894  223.856   17.942 10.40327 23.31860 
1 1 1   -5   32   30 o  180.108   10.616  414.623   47.535  435.199   61.740  384.673   74.489  183.206   13.592  169.946   17.817 13.26010 22.40969 
1 1 1   -5   32   31 o  176.146   10.682  397.180   46.766  380.087   60.102  423.411   74.454  170.688   14.230  178.694   16.885 -8.005585 22.08181 
1 1 1   -5   32   32 o   62.723   15.620   53.467   24.373   62.318   29.664   35.076   42.758   67.358   17.483   56.938   21.690 10.41944 27.85925 
1 1 1   -5   32   33 o  231.281   17.570  715.233  100.719  707.407  120.210  733.669  184.505  226.342   21.527  214.075   35.776 12.26733 41.75361 
1 1 1   -5   32   34 o   89.634   19.245  112.116   41.790  116.318   43.845   70.425  138.099   91.064   19.842   84.031   36.221 7.032539 41.29966 
1 1 1   -5   32   35 o   67.649   16.739   63.198   28.123   52.042   35.672   81.518   45.714   61.862   20.136   75.343   22.543 -13.48191 30.22716 
1 1 1   -5   32   36 o   94.057   12.689  116.700   29.044  129.685   35.271   89.350   51.189   98.333   14.824   78.160   23.958 20.17274 28.17308 
1 1 1   -5   32   37 o   94.709   12.343  118.141   28.498  104.007   34.611  147.897   50.219   87.036   16.529  102.058   20.418 -15.02203 26.26936 
1 1 1   -5   32   38 o  146.702   11.064  279.017   40.232  290.638   50.473  258.766   66.627  148.260   13.791  135.607   20.299 12.65282 24.54083 
1 1 1   -5   32   39 o   97.982   12.530  126.901   29.956  115.605   36.406  150.584   52.715   91.654   16.514  102.029   21.375 -10.37585 27.01063 
1 1 1   -5   32   40 o  101.602   18.615  145.261   45.489   87.111   76.563  176.988   56.554   76.918   29.091  110.629   21.243 -33.71027 36.02145 
1 1 1   -5   32   41 o   52.379   21.696   21.644   46.411   0.0000   0.0000   21.644   46.411  ?   ?    52.379   21.696 0.000000 21.69608 
1 1 1   -5   33    1 o   46.631   15.788   29.791   21.881 -43.5680   58.425   41.759   23.599   42.203   20.103   53.753   16.223 -11.54961 25.83249 
1 1 1   -5   33    2 o   72.990   18.081   78.810   32.786  168.710  165.105   75.119   33.453   84.763   37.936   70.921   18.643 13.84200 42.26897 
1 1 1   -5   33    3 o   67.316   15.797   64.442   26.098   92.194   62.509   58.583   28.721   74.998   26.613   63.487   17.536 11.51102 31.87155 
1 1 1   -5   33    4 o   76.547   15.482   81.927   28.578  119.010   61.290   71.625   32.304   85.406   26.221   70.201   18.256 15.20495 31.95028 
1 1 1   -5   33    5 o   94.586   13.683  120.793   31.380  150.192   64.012  111.492   36.003   97.193   25.904   89.188   16.781 8.004890 30.86462 
1 1 1   -5   33    6 o   43.910   19.581  -6.3703   43.560 -24.0845   54.598   24.652   72.253   45.364   20.886   60.782   26.200 -15.41851 33.50584 
1 1 1   -5   33    7 o   58.144   22.403   39.593   45.949   75.010   57.911 -20.6009   75.496   72.025   25.610   54.156   24.795 17.86863 35.64632 
1 1 1   -5   33    8 o   72.752   15.579   72.754   27.449   84.545   55.475   68.931   31.587   75.755   25.133   69.982   17.979 5.772667 30.90168 
1 1 1   -5   33    9 o  112.927   12.452  167.277   34.531  223.953   62.414  142.276   41.453  126.199   20.509  102.043   16.856 24.15573 26.54725 
1 1 1   -5   33   10 o  132.714   11.922  229.060   39.090  190.636   65.879  249.940   48.562  114.460   23.823  137.481   14.357 -23.02108 27.81501 
1 1 1   -5   33   11 o   85.610   14.188   97.866   29.269  101.882   54.663   96.251   34.656   83.458   24.574   83.735   17.151 -0.2763748 29.96692 
1 1 1   -5   33   12 o  170.709   15.277  384.793   64.435  384.608  119.803  384.868   76.431  157.878   31.492  168.681   18.445 -10.80365 36.49610 
1 1 1   -5   33   13 o   54.855   17.141   39.981   26.063  144.179   88.880   30.179   27.261   96.737   31.799   49.935   17.591 46.80231 36.34036 
1 1 1   -5   33   14 o   39.012   14.965   14.215   20.443   8.8070   47.817   15.425   22.614   50.798   21.590   40.790   15.716 10.00838 26.70487 
1 1 1   -5   33   15 o   84.318   14.392   94.561   29.215   33.005   50.887  124.828   35.682   58.962   23.322   96.824   15.263 -37.86161 27.87268 
1 1 1   -5   33   16 o  105.737   12.535  145.508   32.454  137.565   53.243  150.204   40.938   98.881   22.116  106.186   15.930 -7.305283 27.25633 
1 1 1   -5   33   17 o  161.769   11.393  336.027   45.732  302.248   66.821  365.789   62.723  150.222   18.183  167.067   15.201 -16.84428 23.69966 
1 1 1   -5   33   18 o  139.098   19.520  261.961   65.936  238.706   79.496  313.225  118.032  129.262   25.534  142.314   33.728 -13.05232 42.30293 
1 1 1   -5   33   19 o  147.123   19.250  291.812   69.026  362.226   85.903  163.505  115.959  162.607   21.696  103.103   36.284 59.50365 42.27617 
1 1 1   -5   33   20 o   87.252   21.120  106.191   45.522  106.191   45.522   0.0000   0.0000   87.252   21.120  ?   ?  0.000000 21.11971 
1 1 1   -5   33   21 o  155.370   10.918  309.134   42.091  349.957   59.932  269.400   59.126  163.693   14.822  142.488   16.949 21.20461 22.51634 
1 1 1   -5   33   22 o   65.078   15.649   57.243   25.119   74.324   39.050   45.187   32.807   73.303   20.521   58.901   19.317 14.40203 28.18258 
1 1 1   -5   33   23 o  128.160   11.223  211.159   35.555  228.888   50.118  193.197   50.447  131.810   15.524  120.203   17.305 11.60658 23.24775 
1 1 1   -5   33   24 o   59.654   16.219   48.092   24.796   19.505   36.287   73.131   33.961   49.186   19.619   72.928   18.592 -23.74189 27.02879 
1 1 1   -5   33   25 o   73.285   15.039   72.141   26.600   87.073   37.800   57.492   37.440   79.364   19.267   65.254   20.569 14.10929 28.18346 
1 1 1   -5   33   26 o   37.642   15.901   3.4595   25.678 -44.6389   47.194   23.686   30.605   39.382   18.552   48.312   18.363 -8.929825 26.10376 
1 1 1   -5   33   27 o   48.258   17.817   25.681   28.368 -10.1671   48.311   44.545   35.045   46.493   20.685   58.830   19.980 -12.33615 28.75842 
1 1 1   -5   33   28 o  183.587   11.193  432.891   51.069  474.769   67.527  376.933   78.058  190.657   14.287  166.915   19.069 23.74155 23.82783 
1 1 1   -5   33   29 o  116.927   11.573  177.034   33.349  157.604   43.314  205.318   52.260  108.274   16.545  123.394   17.446 -15.12016 24.04392 
1 1 1   -5   33   30 o  176.446   10.731  399.842   47.059  399.330   61.140  400.587   73.714  174.566   14.147  172.863   17.309 1.703568 22.35483 
1 1 1   -5   33   31 o  175.211   10.772  394.828   46.901  370.073   60.368  432.524   74.493  167.600   14.569  179.787   16.787 -12.18669 22.22693 
1 1 1   -5   33   32 o   53.688   16.190   38.858   23.510   31.547   28.855   53.296   40.548   50.836   18.077   63.024   21.491 -12.18820 28.08274 
1 1 1   -5   33   33 o  158.342   10.630  323.219   41.786  302.432   52.995  357.384   67.942  151.301   14.192  162.728   16.969 -11.42766 22.12165 
1 1 1   -5   33   34 o  103.357   11.946  139.959   30.266  153.876   37.335  113.282   51.691  107.408   14.273   87.644   23.240 19.76346 27.27263 
1 1 1   -5   33   35 o  130.357   13.621  224.859   43.685  217.995   45.341  313.676  163.087  127.888   14.451  123.594   43.057 4.293930 45.41784 
1 1 1   -5   33   36 o  133.685   17.662  245.616   57.518  243.781   61.457  258.571  163.280  132.137   19.186  111.842   42.438 20.29407 46.57382 
1 1 1   -5   33   37 o  125.413   17.967  217.700   54.660  221.167   57.896  189.255  165.831  125.698   19.041   99.177   41.040 26.52134 45.24200 
1 1 1   -5   33   38 o  100.167   14.397  135.208   34.978  144.949   45.543  121.199   54.617  101.404   18.673   89.427   23.969 11.97700 30.38457 
1 1 1   -5   33   39 o  161.520   11.277  340.186   45.200  370.503   56.939  288.527   74.325  166.882   13.786  140.907   21.829 25.97496 25.81784 
1 1 1   -5   33   40 o   76.949   23.951   90.487   50.940   0.0000   0.0000   90.487   50.940  ?   ?    76.949   23.951 0.000000 23.95125 
1 1 1   -5   34    1 o   72.838   15.812   78.471   27.935   35.869   62.060   89.297   31.284   55.356   24.070   77.144   16.722 -21.78846 29.30823 
1 1 1   -5   34    2 o   46.711   15.739   30.724   21.744  105.519   60.039   19.432   23.328   75.673   26.138   41.148   15.932 34.52499 30.61133 
1 1 1   -5   34    3 o   66.236   16.490   64.747   27.170   38.956   65.301   70.147   29.879   58.107   24.976   68.426   17.436 -10.31850 30.45999 
1 1 1   -5   34    4 o   24.024   11.170 -12.3714   16.196   4.6972  159.639 -12.5489   16.280   67.173   32.323   24.048   11.187 43.12560 34.20427 
1 1 1   -5   34    5 o   72.275   16.005   74.924   28.124   61.077   61.603   78.570   31.610   64.609   25.627   73.184   17.528 -8.574974 31.04806 
1 1 1   -5   34    6 o   47.794   15.784   31.055   21.890  -4.8023   56.264   37.451   23.762   48.452   21.875   51.723   16.396 -3.271080 27.33776 
1 1 1   -5   34    7 o   47.640   15.582   30.649   21.351   56.818   53.540   25.700   23.282   63.739   24.274   45.288   16.224 18.45057 29.19631 
1 1 1   -5   34    8 o   46.441   20.536  -0.2161   46.921 -24.2842   57.852   46.046   80.207   46.239   21.364   65.893   27.983 -19.65331 35.20590 
1 1 1   -5   34    9 o   33.189   13.770   5.4061   18.738   51.370   51.306  -1.6688   20.129   62.545   23.776   31.311   13.660 31.23411 27.42014 
1 1 1   -5   34   10 o   73.796   15.384   75.280   27.431   48.768   56.273   83.543   31.416   63.006   24.647   77.210   16.774 -14.20403 29.81347 
1 1 1   -5   34   11 o   43.887   15.517   23.451   21.230  -6.6770   51.587   29.594   23.294   47.642   21.272   47.930   16.289 -0.2879333 26.79226 
1 1 1   -5   34   12 o   64.252   15.606   57.078   24.791   71.817   51.323   52.592   28.314   70.724   24.178   61.367   17.577 9.356857 29.89193 
1 1 1   -5   34   13 o   74.584   15.385   76.151   27.704   50.823   52.282   86.040   32.668   63.708   24.052   78.679   17.114 -14.97112 29.51960 
1 1 1   -5   34   14 o   61.539   17.813   52.523   28.941  -1.9674   92.541   58.430   30.469   62.919   28.263   64.681   18.133 -1.761951 33.57980 
1 1 1   -5   34   15 o   33.881   14.111   4.6571   19.785  116.178   88.090  -1.2676   20.304   87.089   31.512   31.863   13.811 55.22661 34.40589 
1 1 1   -5   34   16 o  116.845   11.734  177.659   33.774  216.562   56.777  156.353   42.017  125.537   18.680  107.639   16.128 17.89734 24.67957 
1 1 1   -5   34   17 o   57.554   16.457   45.193   24.842   35.868   48.219   48.562   28.985   58.410   22.825   59.611   17.977 -1.201363 29.05381 
1 1 1   -5   34   18 o  180.834   15.829  434.337   70.760   0.0000   0.0000  434.337   70.760  ?   ?   180.834   15.829 0.000000 15.82888 
1 1 1   -5   34   19 o  167.251   16.604  373.802   68.432  373.802   68.432   0.0000   0.0000  167.251   16.604  ?   ?  0.000000 16.60436 
1 1 1   -5   34   20 o  149.318   18.724  303.535   68.281  296.762   82.048  318.794  123.147  144.297   23.585  139.183   35.361 5.114349 42.50422 
1 1 1   -5   34   21 o   42.459   19.209 -16.6781   43.642 -29.7092   48.061   44.581  104.204   42.170   19.479   74.488   31.770 -32.31824 37.26661 
1 1 1   -5   34   22 o   36.320   14.547   9.4370   20.039   11.303   36.625   8.6398   23.940   46.202   19.216   38.406   15.710 7.795372 24.82099 
1 1 1   -5   34   23 o   88.326   13.422  103.297   28.672  102.534   43.180  103.899   38.346   85.170   20.541   86.664   18.293 -1.493660 27.50569 
1 1 1   -5   34   24 o  111.716   11.555  162.044   31.770  231.104   46.123   99.695   43.825  132.445   14.165   83.763   20.993 48.68135 25.32490 
1 1 1   -5   34   25 o   44.418   15.875   23.081   22.279   25.409   35.352   21.548   28.694   50.533   19.600   46.295   17.737 4.238621 26.43387 
1 1 1   -5   34   26 o   40.288   15.429   15.696   21.706   27.121   33.626   7.5345   28.420   50.523   19.238   40.557   16.903 9.966389 25.60874 
1 1 1   -5   34   27 o  149.184   10.905  287.152   40.343  328.387   54.515  237.233   59.982  158.011   13.960  131.416   18.815 26.59499 23.42772 
1 1 1   -5   34   28 o   79.920   17.468   88.534   33.889   96.212   58.010   84.556   41.755   80.698   25.622   76.831   21.112 3.866570 33.19947 
1 1 1   -5   34   29 o   59.235   18.636   47.976   30.748   28.181   52.828   58.118   37.813   57.200   23.361   64.663   20.703 -7.463036 31.21399 
1 1 1   -5   34   30 o   34.972   14.730   3.8173   21.933   4.2954   28.656   3.1413   34.078   39.381   16.725   42.045   18.057 -2.664101 24.61260 
1 1 1   -5   34   31 o  121.122   11.382  191.089   34.022  194.518   43.683  185.801   54.243  120.535   14.825  115.016   19.588 5.518661 24.56559 
1 1 1   -5   34   32 o  159.427   10.764  328.994   42.602  332.815   54.698  323.102   67.925  158.476   13.964  153.214   18.103 5.261597 22.86324 
1 1 1   -5   34   33 o  100.513   12.384  133.416   30.426  133.980   38.017  132.412   50.747   99.058   15.907   95.114   21.828 3.944473 27.00942 
1 1 1   -5   34   34 o   77.317   14.409   81.338   26.797   83.112   32.941   77.866   46.075   76.823   17.554   72.740   22.802 4.083298 28.77618 
1 1 1   -5   34   35 o  115.288   11.799  174.532   33.489  176.402   41.544  171.063   56.595  114.295   14.911  108.239   21.694 6.055443 26.32398 
1 1 1   -5   34   36 o  166.919   11.059  362.577   45.837  414.037   57.976  276.784   74.859  176.913   13.219  137.316   22.618 39.59688 26.19778 
1 1 1   -5   34   37 o  123.123   14.296  203.898   43.138  220.425   44.482 -57.2844  176.826  128.166   14.133   71.430   34.279 56.73668 37.07864 
1 1 1   -5   34   38 o   98.534   18.735  138.607   44.415  134.815   45.858  195.998  178.409   96.528   19.692   95.740   41.219 0.7874832 45.68117 
1 1 1   -5   34   39 o  120.088   46.050  384.368  193.522   0.0000   0.0000  384.368  193.522  ?   ?   120.088   46.050 0.000000 46.04977 
1 1 1   -5   35    1 o   58.155   22.854   58.990   48.571   74.111   66.352   41.533   71.294   61.852   25.807   55.402   24.852 6.450245 35.82777 
1 1 1   -5   35    2 o   28.847   12.729  -1.2539   17.935   36.057   57.903  -5.2135   18.863   53.508   23.258   28.137   12.688 25.37068 26.49400 
1 1 1   -5   35    3 o   37.297   14.812   14.416   20.601 -16.8346   64.438   17.973   21.742   46.194   21.736   39.472   15.354 6.722042 26.61189 
1 1 1   -5   35    4 o   36.024   14.477   12.067   19.919   84.632   61.297   3.4996   21.062   67.869   25.943   33.017   14.188 34.85200 29.56878 
1 1 1   -5   35    5 o   45.777   16.671   28.088   24.712  235.641  175.769   23.903   24.960   83.520   38.084   43.796   16.599 39.72402 41.54383 
1 1 1   -5   35    6 o   61.789   17.692   57.525   28.689   71.583  165.734   57.091   29.129   70.888   33.792   61.475   17.893 9.413471 38.23688 
1 1 1   -5   35    7 o   42.111   15.542   21.832   21.583 -44.6890   57.503   32.739   23.285   41.641   19.865   48.467   16.287 -6.826015 25.68838 
1 1 1   -5   35    8 o   52.133   16.054   38.732   22.956   44.897   56.965   37.536   25.083   59.290   24.241   51.523   16.891 7.766327 29.54536 
1 1 1   -5   35    9 o  119.400   12.297  191.294   36.141  284.487   67.976  154.570   42.672  138.374   20.274  104.037   17.013 34.33604 26.46615 
1 1 1   -5   35   10 f   53.870   22.455   27.242   50.161   54.940   61.411 -28.2842   86.951   63.730   25.487   54.370   25.477 9.359871 36.03693 
1 1 1   -5   35   11 o   33.236   13.662   6.6446   18.216 -21.6940   53.039   10.435   19.396   44.414   20.497   35.789   14.320 8.624928 25.00410 
1 1 1   -5   35   12 o   49.539   15.848   33.454   22.163   84.036   51.822   22.131   24.518   73.650   24.285   44.003   16.501 29.64663 29.36015 
1 1 1   -5   35   13 o   51.121   16.204   35.748   23.209   25.142   51.325   38.474   26.021   54.504   22.715   52.964   17.196 1.539417 28.49027 
1 1 1   -5   35   14 o   54.455   16.013   41.176   23.225   32.220   50.262   43.607   26.188   56.395   22.880   55.937   17.134 0.4587708 28.58420 
1 1 1   -5   35   15 o  128.919   12.034  218.706   38.293  245.275   63.581  203.582   47.969  131.055   20.067  121.924   16.153 9.130646 25.75986 
1 1 1   -5   35   16 o   72.788   17.847   75.201   32.190   7.7134   95.474   83.857   34.192   63.739   28.663   76.805   18.120 -13.06598 33.90984 
1 1 1   -5   35   17 o   42.124   16.019   18.536   23.298   0.0000   0.0000   18.536   23.298  ?   ?    42.124   16.019 0.000000 16.01943 
1 1 1   -5   35   18 o  145.233   18.552  292.952   65.747  292.952   65.747   0.0000   0.0000  145.233   18.552  ?   ?  0.000000 18.55239 
1 1 1   -5   35   19 o   51.131   16.413   34.973   23.755  -3.2273   46.259   48.655   27.684   46.169   20.404   59.150   17.508 -12.98119 26.88620 
1 1 1   -5   35   20 o   24.456   11.325 -12.6730   16.398   8.2375   41.336 -16.5781   17.863   46.908   20.009   24.688   11.562 22.21984 23.10869 
1 1 1   -5   35   21 o  148.832   10.767  286.886   39.748  380.617   59.698  212.240   53.274  169.349   14.249  124.145   17.684 45.20377 22.71052 
1 1 1   -5   35   22 o   47.114   20.466   3.1017   44.781 -12.1691   48.901   82.449  111.467   45.484   20.478   80.002   33.421 -34.51855 39.19526 
1 1 1   -5   35   23 o   49.343   20.752   13.572   43.427  -0.1941   46.893   96.499  115.093   47.241   20.723   82.910   34.240 -35.66912 40.02250 
1 1 1   -5   35   24 o   36.128   14.522   9.4953   20.048   22.937   36.313   3.6023   24.044   49.480   19.660   36.212   15.347 13.26733 24.94080 
1 1 1   -5   35   25 f   33.452   14.057   3.7548   19.900   4.5594   35.276   3.3792   24.101   42.945   18.405   36.152   15.345 6.793217 23.96301 
1 1 1   -5   35   26 o   37.728   14.953   11.780   20.957   16.792   34.725   8.9086   26.283   46.596   18.975   39.549   16.350 7.047413 25.04700 
1 1 1   -5   35   27 o   87.574   13.517  102.805   28.608  114.805   41.301   91.736   39.665   89.925   18.988   79.741   19.965 10.18341 27.55223 
1 1 1   -5   35   28 o  118.349   11.643  183.462   33.964  213.077   46.881  150.750   49.272  125.625   15.257  102.712   19.929 22.91302 25.09881 
1 1 1   -5   35   29 o  151.989   11.001  300.415   41.470  325.643   55.555  268.668   62.321  156.102   14.414  138.868   18.426 17.23360 23.39448 
1 1 1   -5   35   30 o   47.166   17.779   25.024   28.536  -6.4636   54.888   36.687   33.405   48.881   21.875   53.746   19.412 -4.865692 29.24608 
1 1 1   -5   35   31 o   41.828   17.064   12.674   28.151   1.6222   52.001   17.256   33.481   49.367   21.735   45.985   18.667 3.381851 28.65077 
1 1 1   -5   35   32 o  120.550   11.849  191.217   35.209  199.893   45.575  178.374   55.452  121.231   15.402  110.863   20.794 10.36844 25.87671 
1 1 1   -5   35   33 o   67.256   15.641   63.131   25.773   50.828   32.790   83.020   41.692   60.049   19.284   74.825   21.294 -14.77542 28.72817 
1 1 1   -5   35   34 o   66.464   15.515   61.674   25.283   47.842   31.773   85.553   41.747   58.452   19.003   75.870   21.210 -17.41798 28.47746 
1 1 1   -5   35   35 o  109.190   12.177  158.034   32.638  171.837   40.885  133.786   54.189  112.338   14.945   93.557   23.287 18.78043 27.66981 
1 1 1   -5   35   36 o   50.021   16.387   33.827   23.610   39.224   28.349   21.611   42.655   53.601   17.971   50.599   20.865 3.001907 27.53768 
1 1 1   -5   35   37 o  110.055   11.866  160.569   32.096  158.244   39.435  165.131   55.242  107.377   15.126  104.955   21.790 2.421394 26.52591 
1 1 1   -5   35   38 o   76.485   20.413   87.683   39.714  101.499   64.167   79.104   50.563   78.625   27.030   71.464   24.000 7.161285 36.14720 
1 1 1   -5   35   39 o   81.096   38.097   99.037  196.578   0.0000   0.0000   99.037  196.578  ?   ?    81.096   38.097 0.000000 38.09721 
1 1 1   -5   36    1 o   57.695   23.606   67.377   54.070   35.870   72.820  106.092   80.722   51.763   23.934   63.454   27.521 -11.69098 36.47253 
1 1 1   -5   36    2 o   75.655   24.709  117.502   53.695  153.323   72.873   74.954   79.421   78.862   28.642   59.519   26.497 19.34324 39.01919 
1 1 1   -5   36    3 o   48.955   21.480   26.595   50.409   2.7639   68.894   54.055   73.953   48.302   22.647   57.019   25.463 -8.717606 34.07737 
1 1 1   -5   36    4 o   56.053   16.811   49.087   25.399  106.322   70.429   40.530   27.232   69.665   27.475   51.173   17.608 18.49240 32.63268 
1 1 1   -5   36    5 o   30.954   13.335   2.7661   18.695 -70.8492   62.035   10.120   19.607   38.644   18.942   34.659   14.202 3.985657 23.67491 
1 1 1   -5   36    6 o   40.026   15.093   19.895   20.571  153.241   62.491   3.6893   21.786   89.675   26.238   33.380   14.387 56.29458 29.92347 
1 1 1   -5   36    7 o   28.669   12.760  -3.2130   18.401 -31.5125  179.316  -2.9119   18.499   61.921   30.697   28.853   12.820 33.06861 33.26634 
1 1 1   -5   36    8 o   38.380   15.062   15.634   21.068 -34.9737   59.342   22.932   22.536   42.845   20.367   42.550   15.846 0.2948074 25.80500 
1 1 1   -5   36    9 o   34.615   14.018   9.8756   18.831 -35.0457   56.984   15.383   19.952   42.297   20.063   37.904   14.718 4.393169 24.88255 
1 1 1   -5   36   10 o   44.801   15.759   26.854   21.872 -15.6937   56.501   34.353   23.721   45.391   21.021   49.275   16.439 -3.883717 26.68578 
1 1 1   -5   36   11 o   27.995   12.319  -2.1569   16.685   18.802   53.493  -4.4158   17.561   51.550   22.381   27.864   12.428 23.68519 25.60006 
1 1 1   -5   36   12 o   68.369   24.509   75.469   53.144   52.529   63.115  131.362   98.517   62.129   25.472   81.112   32.334 -18.98345 41.16218 
1 1 1   -5   36   13 o   17.502   8.5687 -23.3542   12.581 -35.2382   51.345 -22.5951   12.977   40.908   19.296   18.101   8.8273 22.80748 21.21912 
1 1 1   -5   36   14 o   43.103   15.360   23.436   20.843   38.220   52.951   20.725   22.673   57.328   23.397   42.281   15.865 15.04735 28.26901 
1 1 1   -5   36   15 o   36.615   14.447   12.197   19.483  -5.2288   51.401   15.120   21.054   46.613   20.989   38.874   15.112 7.739147 25.86373 
1 1 1   -5   36   16 o   44.910   16.406   24.694   23.959   0.0000   0.0000   24.694   23.959  ?   ?    44.910   16.406 0.000000 16.40612 
1 1 1   -5   36   17 o  138.028   17.737  269.171   59.720  291.066   67.165  186.503  130.508  141.993   19.453   93.812   37.273 48.18105 42.04380 
1 1 1   -5   36   18 o   78.918   17.499   89.263   33.582  104.696  101.107   87.349   35.604   79.453   32.368   77.433   18.638 2.020836 37.35066 
1 1 1   -5   36   19 o   98.826   15.994  135.679   38.121  254.245  101.471  116.194   41.135  118.155   33.080   89.502   18.993 28.65366 38.14434 
1 1 1   -5   36   20 o   65.740   15.428   60.587   24.893   87.542   49.426   51.426   28.814   75.362   23.615   60.029   17.883 15.33265 29.62226 
1 1 1   -5   36   21 o   81.559   14.721   91.517   28.879  102.230   51.097   86.489   35.006   81.214   23.715   77.400   18.384 3.814468 30.00640 
1 1 1   -5   36   22 o   42.488   15.441   21.434   21.183   35.847   43.307   16.901   24.286   55.445   21.641   41.535   16.207 13.90982 27.03703 
1 1 1   -5   36   23 o  118.176   12.473  185.470   36.253  173.078   54.089  195.577   48.850  108.789   20.666  118.514   16.992 -9.725166 26.75470 
1 1 1   -5   36   24 o   92.135   20.335  124.586   45.534  146.760   48.947 -17.9798  124.111  100.281   20.244   65.358   30.565 34.92294 36.66113 
1 1 1   -5   36   25 o   42.979   19.172  -5.6535   41.805 -11.4772   44.366   40.449  124.829   42.889   19.389   72.310   32.621 -29.42147 37.94836 
1 1 1   -5   36   26 o   48.450   16.168   31.217   22.946   2.7867   39.000   46.269   28.377   43.754   19.053   57.337   17.881 -13.58291 26.12957 
1 1 1   -5   36   27 o   48.563   16.104   31.487   22.776   66.207   38.285   12.468   28.335   67.093   20.745   41.634   17.068 25.45917 26.86360 
1 1 1   -5   36   28 o  146.011   11.469  280.018   41.480  317.385   57.425  239.246   59.983  152.697   15.264  129.451   19.132 23.24559 24.47512 
1 1 1   -5   36   29 o   41.040   15.645   17.871   22.256   43.438   34.739   0.0698   28.987   56.498   19.861   37.689   16.419 18.80942 25.76906 
1 1 1   -5   36   30 o  132.887   11.495  232.416   37.769  274.820   51.415  182.711   55.665  142.372   14.672  111.549   20.747 30.82361 25.41059 
1 1 1   -5   36   31 o   53.070   16.561   39.112   24.336   97.716   35.247 -14.2715   33.640   82.709   17.606   36.525   16.657 46.18435 24.23682 
1 1 1   -5   36   32 o   52.857   18.592   37.260   30.442   23.156   59.331   42.299   35.466   56.043   23.940   56.007   20.028 0.3545761E-01 31.21285 
1 1 1   -5   36   33 o   63.254   19.287   58.286   33.230   36.259   61.028   67.569   39.618   59.513   24.784   67.335   21.149 -7.821964 32.58123 
1 1 1   -5   36   34 o  132.111   11.502  230.367   37.566  257.304   48.660  190.628   59.103  137.663   14.366  112.664   21.796 24.99857 26.10444 
1 1 1   -5   36   35 o   34.810   14.686   4.7870   21.857  -4.8851   27.147   22.610   36.851   34.893   15.515   48.510   19.622 -13.61709 25.01496 
1 1 1   -5   36   36 o   50.537   16.423   35.290   23.732   32.073   29.224   41.518   40.665   49.857   18.134   56.170   21.211 -6.312481 27.90588 
1 1 1   -5   36   37 o  113.529   16.610  181.966   45.697  150.612   74.607  200.790   57.810   91.911   29.044  115.817   20.751 -23.90600 35.69470 
1 1 1   -5   36   38 f   85.600   23.978  119.008   53.301   0.0000   0.0000  119.008   53.301  ?   ?    85.600   23.978 0.000000 23.97842 
1 1 1   -5   37    1 o   36.241   17.618 -30.6952   50.580 -46.6149   67.248  -9.9581   76.751   38.771   19.143   43.718   21.352 -4.946629 28.67707 
1 1 1   -5   37    2 o   49.114   21.778   40.303   53.121   86.864   70.406 -21.2327   80.940   58.003   25.419   44.331   21.710 13.67154 33.42824 
1 1 1   -5   37    3 o   43.114   20.086   4.3138   52.782   15.394   71.685  -8.8057   78.004   47.938   22.669   46.046   22.265 1.891842 31.77415 
1 1 1   -5   37    4 o   57.434   24.269   67.124   59.845   93.345   76.807   26.610   95.472   61.738   26.811   52.641   25.243 9.097164 36.82452 
1 1 1   -5   37    5 o   51.305   17.123   42.075   25.736   72.234   74.325   37.966   27.433   59.215   26.029   49.099   17.609 10.11607 31.42603 
1 1 1   -5   37    6 o   36.407   14.847   13.022   21.297 -10.7888   66.617   15.732   22.477   45.960   21.769   38.089   15.353 7.871960 26.63875 
1 1 1   -5   37    7 o   29.498   13.022  -0.8419   18.790 -47.8934   63.106   3.7352   19.682   40.993   19.871   31.826   13.696 9.166794 24.13379 
1 1 1   -5   37    8 o   63.273   17.130   62.451   27.730   88.222   67.822   57.278   30.385   66.206   26.676   59.729   18.483 6.476898 32.45337 
1 1 1   -5   37    9 o   69.767   18.511   77.259   32.782  320.175  177.683   68.698   33.355   85.810   38.796   65.197   19.195 20.61314 43.28523 
1 1 1   -5   37   10 o   36.008   14.484   12.176   19.958   13.046   60.325   12.069   21.149   50.209   22.662   36.539   14.835 13.66949 27.08561 
1 1 1   -5   37   11 o   77.580   15.735   88.379   29.440   69.284   63.425   93.623   33.238   63.654   25.744   78.630   17.389 -14.97677 31.06674 
1 1 1   -5   37   12 o   42.741   15.736   23.493   22.105   20.671   56.874   23.995   23.991   51.684   22.743   43.522   16.322 8.161835 27.99371 
1 1 1   -5   37   13 o   77.381   15.248   86.323   28.417  120.754   59.642   76.211   32.322   81.649   25.986   70.637   18.208 11.01173 31.73004 
1 1 1   -5   37   14 o   38.744   18.384 -35.4958   47.931  -4.7465   54.263 -144.6508  102.238   46.444   21.171   46.038   22.883 0.4065666 31.17469 
1 1 1   -5   37   15 o   36.028   14.695   10.144   20.869   0.0000   0.0000   10.144   20.869  ?   ?    36.028   14.695 0.000000 14.69463 
1 1 1   -5   37   16 o   38.271   18.073 -32.5570   45.280 -53.8529   49.309   82.003  114.366   37.004   17.846   71.363   31.782 -34.35899 36.44918 
1 1 1   -5   37   17 o   54.289   16.051   42.459   23.279   40.299   52.519   42.987   25.969   57.062   23.297   54.494   17.124 2.568027 28.91322 
1 1 1   -5   37   18 o   42.581   15.356   22.787   20.893   13.452   50.971   24.672   22.905   49.939   21.763   44.200   16.057 5.738407 27.04559 
1 1 1   -5   37   19 o   38.342   14.693   15.683   19.695   26.364   49.725   13.696   21.449   52.957   22.236   38.206   15.132 14.75123 26.89613 
1 1 1   -5   37   20 o   51.916   16.988   37.901   25.377   89.598  101.625   34.463   26.207   73.900   31.444   50.172   17.273 23.72794 35.87550 
1 1 1   -5   37   21 o   38.197   14.937   14.333   20.664  112.086   96.598   9.6455   21.153   78.532   31.768   36.269   14.794 42.26359 35.04362 
1 1 1   -5   37   22 o   32.340   13.580   4.4392   18.548 -47.9673   45.451   14.910   20.316   36.392   17.442   38.343   14.862 -1.951149 22.91517 
1 1 1   -5   37   23 o   35.588   14.353   9.9606   19.654   56.098   45.070  -0.8735   21.840   61.997   22.524   32.565   14.217 29.43168 26.63560 
1 1 1   -5   37   24 o   33.776   13.956   6.7115   19.137   14.827   40.983   4.4484   21.641   47.338   20.047   34.445   14.576 12.89341 24.78660 
1 1 1   -5   37   25 o   78.964   15.085   87.286   28.662   54.013   46.596  107.537   36.352   61.482   22.808   86.396   17.450 -24.91433 28.71761 
1 1 1   -5   37   26 o   40.116   18.006  -6.7436   37.484  -7.0551   38.911  -2.7306  139.681   40.750   18.314   67.125   31.712 -26.37553 36.62038 
1 1 1   -5   37   27 o   94.289   23.786  141.125   56.002  132.455   59.940  200.683  157.094   89.716   25.533   91.906   39.099 -2.189674 46.69762 
1 1 1   -5   37   28 o   75.180   14.970   79.119   27.117  118.219   43.542   54.347   34.658   88.911   20.085   60.900   19.849 28.01063 28.23847 
1 1 1   -5   37   29 o   52.015   16.389   37.905   23.769   60.994   38.619   23.825   30.158   63.912   20.959   46.485   18.082 17.42754 27.68104 
1 1 1   -5   37   30 o   57.674   16.394   47.597   24.728   75.802   39.098   28.794   31.923   70.603   20.781   49.072   18.730 21.53119 27.97647 
1 1 1   -5   37   31 o  120.736   11.871  194.194   35.330  255.279   49.698  131.781   50.235  136.282   14.843   92.316   22.087 43.96626 26.61115 
1 1 1   -5   37   32 o   34.563   14.569   5.0532   21.483   17.151   32.952  -3.8900   28.333   44.901   18.407   35.780   15.883 9.121330 24.31189 
1 1 1   -5   37   33 o   37.013   15.115   10.098   22.112   7.9440   32.382   11.979   30.268   41.519   17.710   41.871   17.447 -0.3522415 24.86010 
1 1 1   -5   37   34 o  112.780   16.325  179.768   44.640  263.555   79.857  141.684   53.838  126.455   26.152   94.515   23.023 31.93980 34.84243 
1 1 1   -5   37   35 o   82.836   19.223  102.990   38.997  144.727   73.139   86.411   46.096   89.158   28.819   73.511   22.768 15.64714 36.72732 
1 1 1   -5   37   36 o   46.828   16.488   29.249   23.949   18.677   31.363   44.034   37.089   44.474   18.063   55.833   20.410 -11.35882 27.25485 
1 1 1   -5   37   37 o   49.212   20.088   25.362   39.036   0.0000   0.0000   25.362   39.036  ?   ?    49.212   20.088 0.000000 20.08765 
1 1 1   -5   38    3 o   39.656   19.123 -10.1686   56.595 -67.8031   76.507   59.483   84.105   38.344   19.174   50.194   23.968 -11.85014 30.69338 
1 1 1   -5   38    4 o   61.571   25.797  107.744   66.700  101.490   84.363  118.172  108.934   57.235   26.207   56.835   27.177 0.3997040 37.75425 
1 1 1   -5   38    5 o   42.448   20.185  -3.2814   58.386  -6.6032   72.314   2.9388   98.956   44.508   21.501   48.399   23.764 -3.890869 32.04706 
1 1 1   -5   38    6 o   43.614   20.580  -0.2271   58.516 -52.8313   71.633  105.276  101.447   40.631   20.003   59.748   27.839 -19.11680 34.27979 
1 1 1   -5   38    7 o   36.175   14.984   12.839   22.139 -60.5434   65.199   22.403   23.537   38.878   19.129   40.828   15.949 -1.950085 24.90542 
1 1 1   -5   38    8 o   44.428   16.244   29.164   23.494  159.629   69.362   12.256   24.970   82.173   28.108   37.340   15.722 44.83305 32.20561 
1 1 1   -5   38    9 o   35.897   14.687   12.397   20.931   25.335   66.608   10.980   22.048   51.060   23.345   35.798   14.901 15.26212 27.69539 
1 1 1   -5   38   10 o   41.973   15.851   23.574   22.709   1.5128   64.576   26.688   24.259   47.547   22.173   43.834   16.418 3.712177 27.58943 
1 1 1   -5   38   11 o   34.792   14.676   7.9713   21.825 -103.5838  184.551   9.5535   21.979   56.072   28.271   35.507   14.837 20.56488 31.92797 
1 1 1   -5   38   12 o   34.064   14.134   8.6075   19.747 -32.0354   60.804   13.400   20.879   42.666   20.374   36.790   14.809 5.875961 25.18752 
1 1 1   -5   38   13 o   31.091   13.329   3.1731   18.514 -23.9661   58.336   6.2128   19.523   43.277   20.460   33.001   13.899 10.27579 24.73443 
1 1 1   -5   38   14 o   52.211   17.494   41.006   26.865   0.0000   0.0000   41.006   26.865  ?   ?    52.211   17.494 0.000000 17.49446 
1 1 1   -5   38   15 o   61.372   24.319   62.079   55.426   56.871   61.643   84.060  126.639   60.282   24.990   67.691   31.392 -7.408115 40.12384 
1 1 1   -5   38   16 o   49.786   22.084   15.021   54.674   36.039   61.401 -65.4433  120.139   55.751   24.091   54.141   26.500 1.610596 35.81428 
1 1 1   -5   38   17 o   37.399   14.676   14.505   20.000  -9.1405   53.950   18.272   21.534   45.109   20.766   39.918   15.348 5.191250 25.82247 
1 1 1   -5   38   18 o   33.187   13.877   6.2352   19.243   22.332   53.375   3.8304   20.630   51.536   22.365   33.072   14.122 18.46399 26.45045 
1 1 1   -5   38   19 o   45.525   15.862   28.228   22.132   14.095   54.031   31.077   24.261   50.056   22.091   47.437   16.602 2.618523 27.63387 
1 1 1   -5   38   20 o   28.771   12.594  -1.1508   17.241 -47.2573   49.987   5.0749   18.368   37.972   18.224   32.199   13.517 5.772610 22.68928 
1 1 1   -5   38   21 o   37.137   14.646   13.498   20.015   30.595   50.356   10.290   21.811   53.401   22.397   36.590   14.985 16.81095 26.94721 
1 1 1   -5   38   22 o   56.855   17.685   47.801   27.777   40.207  109.059   48.328   28.725   64.887   29.742   57.084   18.020 7.802761 34.77515 
1 1 1   -5   38   23 o   53.833   17.324   42.050   26.453  160.163  106.546   34.291   27.308   85.190   33.731   49.858   17.601 35.33231 38.04711 
1 1 1   -5   38   24 o   64.835   15.889   60.960   25.525   68.854   49.008   58.021   29.900   65.724   23.539   62.262   18.130 3.462368 29.71136 
1 1 1   -5   38   25 o   37.865   14.891   14.117   20.634   0.2540   43.760   18.080   23.398   44.056   19.637   40.992   15.933 3.063950 25.28751 
1 1 1   -5   38   26 o   36.180   14.604   10.828   20.366   35.406   43.239   3.8199   23.088   53.654   21.411   34.872   14.916 18.78156 26.09428 
1 1 1   -5   38   27 o   62.441   16.375   56.841   25.847   66.494   45.332   52.192   31.463   65.093   22.699   59.195   18.877 5.898838 29.52306 
1 1 1   -5   38   28 o   60.423   21.897   54.579   42.558   49.764   44.019  123.501  166.530   58.746   22.094   78.195   36.169 -19.44896 42.38325 
1 1 1   -5   38   29 o   57.379   22.369   45.029   46.229   40.778   48.031   98.528  170.387   56.322   22.535   75.845   35.579 -19.52315 42.11480 
1 1 1   -5   38   30 o   38.318   15.153   14.200   21.476   6.6682   37.476   17.883   26.205   43.066   18.715   42.053   16.704 1.012760 25.08529 
1 1 1   -5   38   31 o   45.366   16.229   26.968   23.291   38.099   38.795   20.695   29.123   53.582   20.601   44.294   17.604 9.287922 27.09861 
1 1 1   -5   38   32 o  107.637   12.754  157.911   33.614  173.007   48.387  143.831   46.731  107.985   18.616   97.132   19.934 10.85262 27.27505 
1 1 1   -5   38   33 o   53.678   16.884   41.905   25.239   13.379   37.804   64.842   33.900   44.923   19.148   64.965   19.407 -20.04181 27.26296 
1 1 1   -5   38   34 o  120.665   12.507  198.056   37.138  214.162   50.738  179.468   54.508  121.322   17.231  107.249   21.104 14.07214 27.24522 
1 1 1   -5   38   35 o  121.612   12.178  200.711   36.487  243.580   49.714  150.654   53.720  130.984   15.499   96.060   22.746 34.92462 27.52470 
1 1 1   -5   38   36 o   38.619   17.047   0.9873   32.197   0.0000   0.0000   0.9873   32.197  ?   ?    38.619   17.047 0.000000 17.04736 
1 1 1   -5   39    6 o   39.879   19.374 -15.1575   60.891   5.9038   74.944 -56.0649  104.447   44.093   21.438   42.828   21.552 1.264839 30.39866 
1 1 1   -5   39    7 o   68.903   27.143  141.123   68.667  170.305   85.984   89.743  114.092   68.264   28.981   53.834   26.236 14.43018 39.09226 
1 1 1   -5   39    8 o   52.202   23.510   55.525   64.519   83.807   79.319   0.2230  110.916   56.342   25.649   48.780   24.175 7.562031 35.24684 
1 1 1   -5   39    9 o   33.050   14.173   7.2400   20.943 -52.2953   70.745   12.959   21.926   40.249   19.827   35.777   14.873 4.472626 24.78573 
1 1 1   -5   39   10 o   33.188   14.211   7.0028   20.995 -44.0330   68.894   12.228   22.044   41.116   20.113   35.759   14.894 5.356525 25.02696 
1 1 1   -5   39   11 o   34.011   14.323   8.9345   20.733  -0.2499   66.487   9.9237   21.821   46.113   21.814   34.930   14.701 11.18245 26.30544 
1 1 1   -5   39   12 o   38.745   15.278   18.271   21.773   20.827   64.549   17.943   23.128   49.478   22.754   39.033   15.630 10.44566 27.60519 
1 1 1   -5   39   13 o   75.224   19.630   95.677   37.266   0.0000   0.0000   95.677   37.266  ?   ?    75.224   19.630 0.000000 19.63022 
1 1 1   -5   39   14 o   34.643   17.078 -72.5886   52.809 -44.2207   57.575 -222.9525  132.554   39.448   19.087   44.935   22.802 -5.487373 29.73664 
1 1 1   -5   39   15 o   35.046   14.197   11.604   19.321   66.977   61.741   5.5925   20.342   60.398   25.021   32.981   14.051 27.41699 28.69692 
1 1 1   -5   39   16 o   35.854   14.378   12.799   19.602   89.390   60.672   3.8732   20.713   67.181   25.779   32.619   14.044 34.56184 29.35622 
1 1 1   -5   39   17 o   26.151   11.903  -7.0424   17.076   85.826   57.707 -15.9543   17.877   67.036   25.279   24.176   11.398 42.85998 27.72997 
1 1 1   -5   39   18 o   58.625   24.272   54.908   58.048   43.375   64.698  102.514  131.448   56.558   24.584   67.906   31.656 -11.34841 40.08131 
1 1 1   -5   39   19 o   66.680   17.683   68.987   29.926  -3.9963   62.489   90.707   34.089   47.729   22.105   76.373   18.143 -28.64435 28.59706 
1 1 1   -5   39   20 o   27.817   12.488  -4.7915   18.041   16.569   56.144  -7.2510   19.051   50.020   22.273   27.786   12.619 22.23449 25.59917 
1 1 1   -5   39   21 o   67.330   16.473   68.090   27.470   64.132   57.722   69.249   31.234   62.027   24.742   66.715   18.230 -4.687778 30.73285 
1 1 1   -5   39   22 o   45.675   16.116   28.867   22.891   13.862   54.189   32.126   25.254   49.306   21.923   47.752   16.919 1.553970 27.69222 
1 1 1   -5   39   23 o   35.561   14.439   10.769   20.034   23.745   50.954   8.3965   21.789   50.839   21.957   35.480   14.795 15.35904 26.47666 
1 1 1   -5   39   24 o   49.163   17.159   34.469   25.905  120.764  117.078   30.026   26.564   73.603   32.498   47.048   17.262 26.55532 36.79807 
1 1 1   -5   39   25 o   54.726   16.630   44.524   24.737   79.242   53.083   34.893   27.959   67.627   24.463   49.664   17.780 17.96282 30.24205 
1 1 1   -5   39   26 o   49.686   16.432   35.627   23.719   32.935   48.524   36.472   27.188   52.907   22.072   50.388   17.579 2.518326 28.21655 
1 1 1   -5   39   27 o   39.153   15.300   16.560   21.665   37.754   46.030   10.529   24.555   53.848   21.877   37.868   15.741 15.97934 26.95200 
1 1 1   -5   39   28 o   33.394   14.147   5.0779   20.421  -3.7488   43.286   7.6049   23.160   42.266   19.125   35.999   15.148 6.266930 24.39771 
1 1 1   -5   39   29 o   43.343   16.027   24.102   22.973   10.173   43.516   29.484   27.050   45.562   19.975   46.961   17.386 -1.399132 26.48158 
1 1 1   -5   39   30 o   39.071   17.857  -9.6555   38.930 -11.1403   39.858   21.124  181.472   39.181   17.967   66.521   32.562 -27.34053 37.19044 
1 1 1   -5   39   31 o   92.617   24.904  150.869   58.846  141.735   61.506  249.648  202.268   88.003   26.108   81.744   38.478 6.259285 46.49915 
1 1 1   -5   39   32 o   52.397   16.857   40.653   25.047   45.811   41.634   37.727   31.355   55.623   21.352   51.283   18.763 4.340366 28.42485 
1 1 1   -5   39   33 o   34.325   14.524   6.0847   21.483   18.481   37.185  -0.1258   26.320   45.449   19.163   34.945   15.420 10.50407 24.59704 
1 1 1   -5   40    9 o   37.722   18.638 -40.8511   64.121 -79.0050   75.166   61.119  122.882   37.075   18.606   49.581   24.716 -12.50540 30.93610 
1 1 1   -5   40   10 o   33.677   16.856 -83.4259   59.754 -45.0412   68.358 -207.7551  123.026   38.828   19.195   39.495   20.209 -0.6677246 27.87231 
1 1 1   -5   40   11 o   58.655   18.219   62.128   29.493   49.174   76.481   64.391   31.965   50.654   23.785   58.708   19.059 -8.053963 30.47952 
1 1 1   -5   40   12 o   41.138   16.368   24.028   25.201   0.0000   0.0000   24.028   25.201  ?   ?    41.138   16.368 0.000000 16.36777 
1 1 1   -5   40   13 o   50.302   22.916   39.167   63.465   55.435   70.856 -26.8322  142.721   53.346   24.269   50.502   25.384 2.844337 35.11870 
1 1 1   -5   40   14 o   29.432   13.020   0.2943   18.883 -50.0403   68.808   4.3938   19.637   40.463   19.857   31.425   13.602 9.038151 24.06879 
1 1 1   -5   40   15 o   30.898   13.485   2.6783   19.637   12.503  196.647   2.5793   19.736   56.013   28.353   30.921   13.507 25.09277 31.40549 
1 1 1   -5   40   16 o   21.436   10.224 -16.4459   15.218 -20.2230   61.154 -16.1965   15.713   42.554   20.352   21.947   10.446 20.60700 22.87668 
1 1 1   -5   40   17 o   39.682   15.254   20.433   21.267   84.231   61.096   11.637   22.685   62.941   25.333   36.231   15.101 26.71047 29.49274 
1 1 1   -5   40   18 o   45.752   16.156   31.210   23.008   57.806   61.774   26.927   24.792   56.923   24.375   43.789   16.555 13.13424 29.46531 
1 1 1   -5   40   19 o   57.194   17.444   52.480   27.180   85.111   64.350   45.395   29.986   63.935   25.906   53.091   18.465 10.84444 31.81277 
1 1 1   -5   40   20 o   47.418   21.754   8.7154   58.516   21.530   63.694 -60.6239  148.160   50.664   23.034   54.154   27.018 -3.489929 35.50401 
1 1 1   -5   40   21 o   40.597   15.719   20.506   22.709   31.648   57.471   18.444   24.721   51.857   22.839   40.311   16.153 11.54527 27.97431 
1 1 1   -5   40   22 o   69.662   16.352   74.386   27.959  166.386   62.164   51.058   31.303   92.702   25.870   56.237   18.884 36.46483 32.02901 
1 1 1   -5   40   23 o   33.743   14.199   7.2273   20.350 -12.4553   55.014   10.347   21.904   43.493   20.343   35.859   14.883 7.633934 25.20622 
1 1 1   -5   40   24 o   51.925   16.593   41.108   24.299   61.197   54.471   36.118   27.150   59.538   23.936   49.242   17.532 10.29582 29.66978 
1 1 1   -5   40   25 o   47.532   16.459   33.118   23.812   45.069   51.426   29.856   26.865   54.996   22.814   46.263   17.287 8.733307 28.62374 
1 1 1   -5   40   26 o   49.755   17.856   36.812   28.215   0.0000   0.0000   36.812   28.215  ?   ?    49.755   17.856 0.000000 17.85628 
1 1 1   -5   40   27 o  102.975   14.899  154.064   37.199  156.264   63.567  152.917   45.874   89.425   26.544   98.001   19.432 -8.575981 32.89651 
1 1 1   -5   40   28 o   48.089   16.576   33.995   24.139   15.485   49.436   39.790   27.661   47.440   21.023   51.230   17.739 -3.789650 27.50734 
1 1 1   -5   40   29 o   36.078   14.897   10.750   21.783  -8.6893   47.005   16.066   24.582   41.734   19.273   39.552   16.016 2.181683 25.05941 
1 1 1   -5   40   30 o   51.422   17.031   40.185   25.476   39.886   47.237   40.308   30.254   53.112   21.935   51.504   18.489 1.607895 28.68777 
1 1 1   -5   41   15 f   41.284   15.943   25.921   23.313  115.012   71.962   15.475   24.642   61.747   26.371   37.132   15.625 24.61512 30.65219 
1 1 1   -5   41   16 o   29.498   13.118   0.5580   19.411   32.639   67.671  -2.3181   20.262   48.400   22.613   29.057   13.122 19.34286 26.14488 
1 1 1   -5   41   17 o   36.596   15.205   14.467   22.896   29.673  216.847   14.295   23.025   53.585   27.371   36.571   15.226 17.01467 31.32096 
1 1 1   -5   41   18 o   31.653   13.722   4.7883   20.050   5.2897   65.352   4.7362   21.066   45.378   21.513   32.174   14.007 13.20399 25.67094 
1 1 1   -5   41   19 o   44.486   16.538   30.386   24.527  -9.7440   65.734   36.876   26.436   43.914   21.028   47.699   17.262 -3.784264 27.20643 
1 1 1   -5   41   20 o   42.688   16.018   26.692   23.111   51.884   63.833   22.891   24.793   53.576   23.809   41.207   16.285 12.36927 28.84565 
1 1 1   -5   41   21 o   36.102   14.976   12.619   22.161 -56.1133   61.262   22.967   23.771   38.207   18.747   41.154   16.041 -2.946281 24.67347 
1 1 1   -5   41   22 o   45.788   21.343   6.3875   59.723 -19.4413   63.896  184.989  168.021   43.139   20.677   64.702   31.600 -21.56341 37.76334 
1 1 1   -5   41   23 o   57.988   17.268   55.058   26.870   74.716   63.169   50.715   29.690   59.652   25.055   54.953   18.392 4.699062 31.08045 
1 1 1   -5   41   24 o   38.840   15.391   18.280   22.200   85.184   59.212   7.3372   23.947   63.092   25.094   35.091   15.105 28.00060 29.28889 
1 1 1   -5   41   25 o   50.211   16.851   39.909   24.924   17.933   55.762   45.395   27.863   47.498   21.578   52.779   17.816 -5.280380 27.98222 
1 1 1   -5   41   26 f   34.249   14.274   9.5736   20.265   8.3948   51.421   9.7904   22.049   44.862   20.511   35.202   14.795 9.659191 25.29056 
1 1 1   -4  -39    1 o   34.429   16.098  -0.5726   34.400   25.029  103.041  -3.7839   36.493   44.849   22.400   34.447   16.254 10.40261 27.67609 
1 1 1   -4  -38    1 o   35.127   16.082   0.1318   31.753 -63.5278   98.309   7.5466   33.551   42.889   21.489   37.563   16.932 5.325535 27.35810 
1 1 1   -4  -38    2 o   47.780   19.534   43.510   36.988  228.952  110.084   19.910   39.271   66.299   30.196   41.262   18.481 25.03774 35.40258 
1 1 1   -4  -38    3 o   51.174   20.388   58.044   39.149  186.973  111.974   40.088   41.787   57.668   27.569   45.492   19.766 12.17673 33.92265 
1 1 1   -4  -37    1 o   41.905   16.999   22.538   27.743   17.191   47.332   25.336   34.241   44.980   20.208   44.333   18.522 0.6468353 27.41212 
1 1 1   -4  -37    2 o   59.307   20.681   66.910   37.627  297.275  106.022   33.715   40.246   91.069   34.281   47.167   19.915 43.90237 39.64537 
1 1 1   -4  -37    3 o   97.375   20.691  174.376   48.761  313.482  113.308  142.759   54.019   84.857   34.378   79.979   24.627 4.877647 42.28860 
1 1 1   -4  -37    4 o   38.138   16.948   12.355   32.343  -4.9957  103.387   14.238   34.052   46.238   22.988   39.091   17.380 7.147739 28.81808 
1 1 1   -4  -36    1 o   68.657   17.485   74.688   30.059  115.956   47.250   46.633   38.958   80.219   22.614   53.832   20.657 26.38651 30.62831 
1 1 1   -4  -36    2 o   54.773   18.123   48.955   28.852   56.179   48.128   44.903   36.047   56.387   22.559   52.493   19.935 3.894588 30.10478 
1 1 1   -4  -36    3 o  137.589   17.666  301.737   59.297  404.365  119.775  268.416   68.248  113.170   36.901  120.297   23.562 -7.127052 43.78140 
1 1 1   -4  -36    4 o   84.678   20.773  129.280   43.593  255.165  109.663  105.654   47.508   81.881   33.574   71.996   23.222 9.884720 40.82211 
1 1 1   -4  -36    5 o   44.290   18.256   28.995   32.638   39.182  105.242   27.911   34.331   51.819   25.242   44.162   18.506 7.657131 31.29868 
1 1 1   -4  -36    6 o   55.166   20.108   60.398   35.965  264.052  114.681   38.184   37.875   72.604   32.105   46.851   19.519 25.75259 37.57281 
1 1 1   -4  -35    1 o  185.854   25.390  597.980  114.756  597.980  114.756   0.0000   0.0000  185.854   25.390  ?   ?  0.000000 25.39021 
1 1 1   -4  -35    2 o   30.033   13.672  -7.8813   22.535 -47.7222   40.437   10.066   27.140   32.725   15.873   38.452   16.301 -5.727036 22.75254 
1 1 1   -4  -35    3 o   50.664   17.551   39.252   27.079   54.563   46.204   31.240   33.421   57.122   22.337   47.793   18.902 9.329254 29.26105 
1 1 1   -4  -35    4 o  105.434   15.184  165.221   38.826  165.189   58.442  165.247   51.945   93.012   24.733   97.358   21.897 -4.345810 33.03345 
1 1 1   -4  -35    5 o  117.251   18.184  220.678   51.519  329.547  116.820  194.391   57.403   99.207   36.229  103.329   22.853 -4.122017 42.83432 
1 1 1   -4  -35    6 o   58.331   20.256   61.940   36.078   52.427  112.443   63.032   38.092   55.538   26.825   58.340   20.768 -2.801365 33.92455 
1 1 1   -4  -35    7 o   61.124   20.628   71.665   37.355  216.262  115.477   54.766   39.477   70.597   31.652   53.778   20.753 16.81885 37.84835 
1 1 1   -4  -34    1 o  113.190   12.997  174.129   36.072  205.743   52.764  146.388   49.426  118.656   18.403   97.698   20.892 20.95802 27.84143 
1 1 1   -4  -34    2 f   52.263   21.248   32.267   43.458   32.267   43.458   0.0000   0.0000   52.263   21.248  ?   ?  0.000000 21.24826 
1 1 1   -4  -34    3 o   55.056   17.994   45.579   28.474   0.4632   50.203   66.976   34.574   45.625   20.625   65.110   19.633 -19.48491 28.47561 
1 1 1   -4  -34    4 o  125.747   13.344  221.277   41.262  271.765   60.814  178.204   56.170  132.857   18.860  103.187   22.438 29.66998 29.31123 
1 1 1   -4  -34    5 o  139.452   12.871  272.287   44.316  350.542   64.969  204.197   60.603  151.831   17.453  108.618   23.056 43.21293 28.91672 
1 1 1   -4  -34    6 o   41.915   17.232   19.258   28.983   36.190  108.797   17.964   30.070   57.558   27.421   41.793   17.400 15.76435 32.47607 
1 1 1   -4  -34    7 o   36.567   15.884   7.1639   26.975 -76.8102  111.750   12.359   27.797   47.882   23.820   38.648   16.445 9.233276 28.94505 
1 1 1   -4  -34    8 o   55.092   19.606   53.194   33.947   19.033  117.001   56.334   35.472   53.466   26.166   56.216   20.038 -2.749767 32.95734 
1 1 1   -4  -34    9 o   72.757   21.298  101.150   41.168  131.218  123.897   97.419   43.647   60.295   28.872   69.706   22.235 -9.410942 36.44108 
1 1 1   -4  -33    1 o  129.038   12.451  220.819   39.623  253.974   56.809  189.410   55.293  135.038   17.240  114.322   20.102 20.71590 26.48218 
1 1 1   -4  -33    2 o   69.192   16.004   67.934   27.102  103.327   45.370   48.296   33.795   82.141   21.769   58.243   19.621 23.89818 29.30618 
1 1 1   -4  -33    3 o   88.114   14.564  107.916   30.927  131.310   48.822   92.237   39.968   92.184   21.588   77.740   20.350 14.44360 29.66772 
1 1 1   -4  -33    4 o   53.864   22.432   31.566   49.996   31.566   49.996   0.0000   0.0000   53.864   22.432  ?   ?  0.000000 22.43181 
1 1 1   -4  -33    5 o  154.416   12.460  324.784   47.636  381.422   67.959  270.075   66.791  161.741   17.084  131.297   21.085 30.44421 27.13739 
1 1 1   -4  -33    6 f   41.514   15.927   20.815   23.157   44.147   45.925   12.861   26.816   55.162   22.048   39.558   16.447 15.60463 27.50674 
1 1 1   -4  -33    7 o   98.796   15.421  143.273   36.803  117.621   58.553  160.026   47.318   77.603   25.824  100.101   19.631 -22.49751 32.43889 
1 1 1   -4  -33    8 o  126.315   17.375  245.522   53.356  329.096  124.916  226.871   59.010  100.524   37.333  116.539   21.052 -16.01522 42.85935 
1 1 1   -4  -33    9 o   36.403   15.664   8.1774   25.735 -51.4526  115.664   11.283   26.397   50.185   24.838   37.776   16.048 12.40845 29.57178 
1 1 1   -4  -33   10 o   43.778   17.510   26.392   28.986 -48.2813  120.745   30.958   29.859   49.567   24.675   45.749   17.938 3.817894 30.50629 
1 1 1   -4  -32    1 o  170.733   11.893  379.192   50.389  416.798   68.681  335.351   74.155  176.439   15.754  155.376   19.545 21.06274 25.10329 
1 1 1   -4  -32    2 o   51.453   17.523   34.615   26.957 -32.1665   91.622   40.944   28.205   57.477   26.671   54.956   17.906 2.520473 32.12448 
1 1 1   -4  -32    3 o   56.415   16.355   44.448   24.380   32.592   42.892   50.107   29.632   54.463   21.453   59.557   18.223 -5.094463 28.14834 
1 1 1   -4  -32    4 o  118.818   13.008  189.156   37.965  195.191   56.285  184.118   51.426  115.515   20.250  113.216   18.852 2.298294 27.66750 
1 1 1   -4  -32    5 o   58.845   22.399   47.234   45.577   47.234   45.577   0.0000   0.0000   58.845   22.399  ?   ?  0.000000 22.39936 
1 1 1   -4  -32    6 o  126.537   13.240  218.382   41.217  242.414   61.959  199.305   55.203  126.756   20.256  115.074   19.932 11.68189 28.41866 
1 1 1   -4  -32    7 o   93.637   14.517  123.748   32.846  153.996   53.675  105.640   41.530   97.232   22.545   81.857   20.392 15.37565 30.39911 
1 1 1   -4  -32    8 o   86.539   15.460  108.915   32.183  130.977   54.595   97.165   39.842   86.051   24.325   77.585   20.322 8.465775 31.69724 
1 1 1   -4  -32    9 o   53.645   18.484   44.564   30.016   21.658  112.170   46.331   31.152   58.503   27.864   54.464   18.827 4.039043 33.62811 
1 1 1   -4  -32   10 o   44.650   17.659   25.804   29.172   0.0000   0.0000   25.804   29.172  ?   ?    44.650   17.659 0.000000 17.65923 
1 1 1   -4  -32   11 o   73.099   33.276  202.380  133.490  202.380  133.490   0.0000   0.0000   73.099   33.276  ?   ?  0.000000 33.27645 
1 1 1   -4  -32   12 o   55.207   27.078   33.119  127.400   33.119  127.400   0.0000   0.0000   55.207   27.078  ?   ?  0.000000 27.07783 
1 1 1   -4  -31    1 o   87.138   14.365  101.042   30.169   70.115   45.802  124.744   40.096   71.144   22.786   95.799   17.402 -24.65500 28.67050 
1 1 1   -4  -31    2 o  369.404   15.698  1798.26  144.811  1857.41  180.831  1692.53  241.786  369.564   19.665  337.084   29.006 32.47986 35.04413 
1 1 1   -4  -31    3 o   80.136   17.599   89.247   34.253   67.976   94.683   92.450   36.742   76.113   31.201   81.208   18.528 -5.095551 36.28748 
1 1 1   -4  -31    4 f   81.454   14.924   90.301   29.237   84.840   48.047   93.513   36.843   75.824   23.205   81.291   18.558 -5.466301 29.71343 
1 1 1   -4  -31    5 o  105.585   13.212  148.799   34.072  155.907   52.513  143.630   44.777  103.358   21.060  100.772   18.474 2.586655 28.01504 
1 1 1   -4  -31    6 o   73.767   15.813   76.360   28.254   64.112   47.666   82.994   35.081   66.121   23.264   75.529   18.699 -9.408211 29.84716 
1 1 1   -4  -31    7 o  105.912   25.923  183.902   68.007  183.902   68.007   0.0000   0.0000  105.912   25.923  ?   ?  0.000000 25.92333 
1 1 1   -4  -31    8 o  197.561   12.193  523.019   59.861  622.364   82.889  414.732   86.540  210.709   15.870  164.585   21.576 46.12386 26.78334 
1 1 1   -4  -31    9 f   77.551   19.720   93.712   38.277   0.0000   0.0000   93.712   38.277  ?   ?    77.551   19.720 0.000000 19.72028 
1 1 1   -4  -31   10 o   98.344   25.376  172.832   62.737  172.832   62.737   0.0000   0.0000   98.344   25.376  ?   ?  0.000000 25.37626 
1 1 1   -4  -31   11 o  111.222   17.869  189.237   47.949  249.310  126.631  179.183   51.806   88.633   36.179  105.270   20.444 -16.63673 41.55618 
1 1 1   -4  -31   12 o  140.247   17.823  304.492   61.011  332.244  142.169  298.228   67.547   93.203   38.223  134.406   20.797 -41.20328 43.51417 
1 1 1   -4  -31   13 o   56.698   18.880   53.708   31.295  183.410  131.347   45.902   32.223   71.106   32.610   52.934   19.073 18.17207 37.77862 
1 1 1   -4  -30    1 f  169.390   11.376  367.520   47.841  417.631   65.202  309.078   70.413  179.150   14.704  151.880   18.980 27.27007 24.00927 
1 1 1   -4  -30    2 o  209.189   12.337  563.086   64.159  562.076   83.926  564.508   99.523  206.688   16.395  204.870   19.696 1.818192 25.62669 
1 1 1   -4  -30    3 o  119.698   12.363  186.002   36.422  212.025   53.816  164.009   49.475  125.546   17.653  109.672   18.738 15.87343 25.74389 
1 1 1   -4  -30    4 o  139.404   12.344  252.378   42.526  244.482   60.278  260.203   60.006  134.092   18.493  138.845   17.710 -4.753418 25.60561 
1 1 1   -4  -30    5 o  129.697   15.047  223.984   47.827  307.368  108.068  203.675   53.334  138.895   31.838  121.987   18.053 16.90811 36.60021 
1 1 1   -4  -30    6 o  174.624   12.134  397.818   52.585  430.758   72.661  361.593   76.198  178.599   16.478  161.323   19.298 17.27663 25.37534 
1 1 1   -4  -30    7 o  119.798   12.773  190.108   37.622  213.818   57.330  172.175   49.860  122.909   19.316  110.456   18.747 12.45345 26.91720 
1 1 1   -4  -30    9 o  121.213   21.678  221.888   63.209  221.888   63.209   0.0000   0.0000  121.213   21.678  ?   ?  0.000000 21.67823 
1 1 1   -4  -30   10 o  104.149   13.922  149.625   35.301  192.924   58.155  124.363   44.421  111.638   21.642   90.234   20.215 21.40336 29.61453 
1 1 1   -4  -30   11 o   89.104   15.353  113.651   32.928  151.076   56.819   94.725   40.405   94.686   23.999   77.259   20.576 17.42719 31.61174 
1 1 1   -4  -30   12 o   61.873   19.090   60.377   32.442   33.517  118.897   62.537   33.721   62.051   29.297   62.715   19.482 -0.6635742 35.18340 
1 1 1   -4  -30   13 o   83.001   18.922  109.333   38.348  156.905  127.695  104.617   40.204   73.935   33.206   79.885   20.155 -5.950348 38.84413 
1 1 1   -4  -30   14 o  106.149   19.140  180.498   48.870  107.916  137.492  190.994   52.284   65.520   31.103  108.011   20.125 -42.49120 37.04610 
1 1 1   -4  -30   15 o   70.335   32.729  190.074  139.481  190.074  139.481   0.0000   0.0000   70.335   32.729  ?   ?  0.000000 32.72861 
1 1 1   -4  -29    1 o  309.770   13.606  1230.05  105.248  1310.54  132.117  1090.26  174.118  317.254   16.736  282.304   24.956 34.95068 30.04790 
1 1 1   -4  -29    2 o   94.995   14.169  118.384   32.584   94.142   52.294  133.768   41.659   82.201   23.988  100.016   17.306 -17.81439 29.57902 
1 1 1   -4  -29    3 o  154.710   11.651  307.005   44.682  318.455   61.461  294.170   65.072  155.788   16.027  148.811   17.868 6.977585 24.00290 
1 1 1   -4  -29    4 o  120.658   12.065  188.075   35.866  210.028   52.691  169.121   48.960  125.497   17.271  112.048   18.116 13.44933 25.02946 
1 1 1   -4  -29    5 o   96.870   13.475  123.257   31.713  112.399   48.818  131.185   41.714   89.209   22.042   98.390   17.625 -9.180519 28.22210 
1 1 1   -4  -29    6 o  118.059   15.330  185.188   44.130  254.276  106.776  170.957   48.462  126.241   33.366  112.171   17.903 14.07027 37.86573 
1 1 1   -4  -29    7 o   35.933   14.493   8.7467   20.043 -50.5641   43.710   24.538   22.554   36.198   17.283   45.253   15.994 -9.054813 23.54752 
1 1 1   -4  -29    8 o  207.556   12.986  564.458   66.968  567.655   89.969  560.487  100.283  203.982   17.842  200.203   20.341 3.778839 27.05745 
1 1 1   -4  -29    9 o  126.167   13.076  211.199   40.601  211.451   61.097  210.999   54.332  121.006   20.980  122.839   18.268 -1.833687 27.81859 
1 1 1   -4  -29   10 o   41.612   19.266 -24.7281   47.420 -24.7281   47.420   0.0000   0.0000   41.612   19.266  ?   ?  0.000000 19.26642 
1 1 1   -4  -29   11 o  195.022   12.459  507.103   60.358  576.136   84.024  433.503   86.758  202.885   16.734  171.110   20.727 31.77496 26.63890 
1 1 1   -4  -29   12 o   69.225   16.213   69.532   27.535  143.478   53.229   42.517   32.173   94.615   22.798   54.528   19.117 40.08780 29.75255 
1 1 1   -4  -29   13 o  137.984   13.333  262.489   45.371  287.690   69.799  244.049   59.705  135.348   21.360  126.665   19.501 8.683891 28.92290 
1 1 1   -4  -29   14 o   93.167   18.698  134.007   41.989  113.571  128.359  136.456   44.433   70.900   32.413   92.999   19.743 -22.09917 37.95252 
1 1 1   -4  -29   15 o   74.458   19.285   89.662   36.145   99.307  130.063   88.855   37.627   66.829   31.265   73.441   19.984 -6.612152 37.10585 
1 1 1   -4  -29   16 o   54.447   18.696   47.789   30.695 -29.7064  133.170   52.137   31.544   54.654   26.976   56.455   18.957 -1.801411 32.97058 
1 1 1   -4  -28    1 o  397.177   16.455  2037.86  163.200  2009.66  202.004  2090.86  276.934  390.064   20.813  388.455   28.753 1.609406 35.49547 
1 1 1   -4  -28    2 o  176.036   11.357  395.134   49.656  419.038   66.280  364.551   74.969  179.992   14.880  166.296   18.359 13.69620 23.63181 
1 1 1   -4  -28    3 o   87.029   22.790  105.093   50.114  105.093   50.114   0.0000   0.0000   87.029   22.790  ?   ?  0.000000 22.78966 
1 1 1   -4  -28    4 o  131.896   12.119  223.669   39.471  215.158   56.048  232.043   55.595  127.111   18.175  132.494   17.209 -5.382828 25.02978 
1 1 1   -4  -28    5 o  214.276   12.457  589.139   66.367  592.953   87.566  583.991  101.732  212.776   16.612  209.200   19.706 3.576401 25.77346 
1 1 1   -4  -28    6 o  278.015   13.849  996.628   96.146  976.582  122.869  1028.29  154.418  271.576   18.223  274.439   22.737 -2.863770 29.13844 
1 1 1   -4  -28    7 o   96.406   17.019  125.350   39.474  121.515  119.558  125.819   41.820   93.200   36.073   96.162   18.079 -2.961823 40.35007 
1 1 1   -4  -28    8 o   41.283   18.832 -21.1661   43.040 -21.1661   43.040   0.0000   0.0000   41.283   18.832  ?   ?  0.000000 18.83246 
1 1 1   -4  -28    9 o  104.129   14.173  144.042   35.897  107.603   56.132  169.256   46.692   85.325   24.839  111.470   17.337 -26.14539 30.29132 
1 1 1   -4  -28   10 o  103.976   13.937  144.238   35.277  161.207   57.437  133.959   44.701  105.041   22.569   97.569   19.030 7.471199 29.52159 
1 1 1   -4  -28   11 o  168.757   23.727  422.547   97.227  422.547   97.227   0.0000   0.0000  168.757   23.727  ?   ?  0.000000 23.72676 
1 1 1   -4  -28   12 o   53.860   16.715   40.491   24.831   68.917   51.015   31.665   28.426   67.980   24.051   49.773   17.916 18.20747 29.99086 
1 1 1   -4  -28   13 o   79.716   15.985   90.248   30.714  102.458   56.117   85.026   36.698   78.816   25.219   75.326   19.394 3.490395 31.81375 
1 1 1   -4  -28   14 o   42.073   15.925   20.788   22.954   19.178   52.202   21.174   25.558   51.280   22.186   43.186   16.689 8.094234 27.76224 
1 1 1   -4  -28   15 o  113.045   17.902  190.317   48.852  207.793  149.352  188.223   51.696   83.896   36.888  110.947   19.363 -27.05085 41.66125 
1 1 1   -4  -28   16 o  163.623   18.377  407.075   73.789  375.957  175.269  413.779   81.349   95.933   41.067  161.360   20.663 -65.42664 45.97285 
1 1 1   -4  -28   17 o   82.182   19.571  109.554   39.590  134.917  155.153  107.787   40.945   69.166   32.894   80.681   20.331 -11.51450 38.66997 
1 1 1   -4  -27    1 o  101.985   12.572  134.112   31.341   99.535   44.380  168.510   44.265   85.518   20.947  113.471   16.071 -27.95271 26.40199 
1 1 1   -4  -27    2 o  140.997   12.008  254.240   41.876  209.080   56.499  309.291   62.380  125.652   18.565  154.113   16.464 -28.46101 24.81387 
1 1 1   -4  -27    3 o  346.106   15.405  1540.10  133.145  1471.98  165.555  1664.84  224.029  334.655   19.900  350.139   25.804 -15.48453 32.58614 
1 1 1   -4  -27    4 o  181.578   16.535  429.503   74.153  429.503   74.153   0.0000   0.0000  181.578   16.535  ?   ?  0.000000 16.53493 
1 1 1   -4  -27    5 o  181.769   11.753  422.030   53.063  454.602   72.483  384.415   77.893  187.088   15.659  170.589   18.586 16.49886 24.30282 
1 1 1   -4  -27    6 f  178.188   18.255  419.299   80.084   0.0000   0.0000  419.299   80.084  ?   ?   178.188   18.255 0.000000 18.25534 
1 1 1   -4  -27    7 o  112.345   20.516  172.125   55.436  172.125   55.436   0.0000   0.0000  112.345   20.516  ?   ?  0.000000 20.51599 
1 1 1   -4  -27    8 o  150.083   11.842  289.555   44.022  331.170   63.678  251.458   60.927  158.614   16.309  137.116   18.247 21.49782 24.47313 
1 1 1   -4  -27    9 o  232.527   16.147  710.842   93.180  746.456  159.810  692.498  114.694  226.483   28.917  226.049   20.543 0.4336090 35.47058 
1 1 1   -4  -27   10 o  224.992   12.869  655.992   72.004  679.755   96.096  625.570  108.729  225.891   17.164  213.735   20.627 12.15599 26.83455 
1 1 1   -4  -27   11 o  186.642   12.459  453.078   57.733  488.047   80.952  416.882   82.360  190.373   17.215  174.295   19.244 16.07816 25.81966 
1 1 1   -4  -27   12 o   94.359   14.316  119.707   32.674  130.761   54.965  113.666   40.633   93.636   23.534   89.758   18.734 3.878014 30.08002 
1 1 1   -4  -27   13 o   79.727   16.589   89.020   31.952   83.585   60.627   91.110   37.598   74.233   26.224   79.388   19.180 -5.154480 32.48945 
1 1 1   -4  -27   14 f  165.151   12.568  362.711   51.444  434.600   76.963  304.653   69.165  175.705   17.786  145.242   19.568 30.46236 26.44279 
1 1 1   -4  -27   15 o   66.376   16.573   63.853   27.386   85.084   55.463   57.008   31.493   72.142   25.111   61.975   18.749 10.16707 31.33826 
1 1 1   -4  -27   16 o   95.043   18.514  135.081   42.361   19.458  135.392  147.628   44.600   65.184   30.921   99.330   18.666 -34.14565 36.11810 
1 1 1   -4  -27   17 o   50.569   17.619   36.972   27.307  102.427  138.230   34.314   27.856   71.038   32.892   49.319   17.738 21.71905 37.36971 
1 1 1   -4  -27   18 o   50.211   17.880   37.100   28.237 -59.4613  144.630   40.926   28.791   56.553   27.951   52.105   18.095 4.447617 33.29656 
1 1 1   -4  -27   19 o   58.688   18.742   55.739   31.005  -3.6587  149.401   58.412   31.695   58.473   28.806   59.897   18.931 -1.423687 34.46964 
1 1 1   -4  -26    1 o  216.318   11.838  594.622   63.707  577.485   81.091  622.255  102.968  211.884   15.432  218.335   19.077 -6.451385 24.53732 
1 1 1   -4  -26    2 o  236.354   14.589  716.297   85.688  794.351  134.771  663.334  111.016  244.799   22.291  224.850   19.980 19.94864 29.93428 
1 1 1   -4  -26    3 o   97.979   11.541  123.270   27.696  156.344   41.427   96.539   37.243  109.393   15.608   84.867   18.124 24.52609 23.91844 
1 1 1   -4  -26    4 o  115.350   11.912  170.609   33.819  157.908   48.348  182.778   47.323  108.974   18.424  118.082   16.499 -9.108871 24.73153 
1 1 1   -4  -26    5 f  223.333   19.805  657.112  109.306   0.0000   0.0000  657.112  109.306  ?   ?   223.333   19.805 0.000000 19.80471 
1 1 1   -4  -26    6 o  192.308   20.490  491.244   96.883  491.244   96.883   0.0000   0.0000  192.308   20.490  ?   ?  0.000000 20.48998 
1 1 1   -4  -26    7 o  173.430   12.052  384.698   51.870  370.506   70.220  401.742   76.952  168.258   16.943  174.825   17.878 -6.566452 24.63096 
1 1 1   -4  -26    8 o   73.241   15.308   71.620   27.096   34.362   45.282   92.403   33.819   58.289   22.294   82.971   16.897 -24.68139 27.97321 
1 1 1   -4  -26    9 o  122.503   12.415  193.652   37.453  197.361   56.159  190.681   50.264  121.081   19.215  119.776   17.307 1.304543 25.86019 
1 1 1   -4  -26   10 o  216.215   16.370  613.153   87.729  570.199  154.835  633.462  106.468  195.198   32.937  217.397   19.830 -22.19946 38.44571 
1 1 1   -4  -26   11 f  256.080   13.182  847.687   84.007  885.112  110.326  796.048  129.595  258.653   17.178  241.220   21.748 17.43300 27.71414 
1 1 1   -4  -26   12 o  130.572   13.364  223.085   42.960  184.900   64.246  253.966   57.776  113.580   23.429  137.432   17.212 -23.85177 29.07224 
1 1 1   -4  -26   13 o  186.610   12.497  453.594   57.899  487.734   81.459  418.737   82.311  189.978   17.363  174.475   19.210 15.50256 25.89384 
1 1 1   -4  -26   14 o  170.912   23.812  429.013   98.867  429.013   98.867   0.0000   0.0000  170.912   23.812  ?   ?  0.000000 23.81155 
1 1 1   -4  -26   15 o  171.262   12.552  387.665   53.309  448.182   78.404  335.634   72.700  179.462   17.727  153.639   19.380 25.82355 26.26444 
1 1 1   -4  -26   16 o   53.796   16.502   40.823   24.281  106.029   54.116   24.387   27.170   81.123   24.586   45.775   17.325 35.34792 30.07679 
1 1 1   -4  -26   17 o  138.687   13.763  263.227   47.034  263.996   74.233  262.711   60.795  128.352   24.044  133.874   18.695 -5.521576 30.45702 
1 1 1   -4  -26   18 f   98.324   17.168  141.915   40.620  350.797  148.682  125.068   42.226  109.658   40.729   90.406   19.292 19.25229 45.06684 
1 1 1   -4  -26   19 f   65.462   18.675   67.095   32.026   79.534  145.035   66.457   32.837   68.086   32.211   64.930   19.026 3.155823 37.41050 
1 1 1   -4  -26   20 o  128.499   18.086  252.711   56.428  250.715  164.200  252.978   60.087   80.786   36.826  126.583   19.646 -45.79738 41.73875 
1 1 1   -4  -25    1 o  242.319   12.201  745.426   73.596  732.671   92.656  767.229  121.139  238.985   15.612  242.446   20.192 -3.461273 25.52352 
1 1 1   -4  -25    2 o  239.730   11.641  727.291   69.692  756.829   88.463  678.967  113.149  243.199   14.634  227.865   20.090 15.33434 24.85549 
1 1 1   -4  -25    3 o  337.476   17.248  1469.45  144.872  1593.69  213.588  1363.60  197.155  345.556   24.919  319.543   24.904 26.01309 35.23037 
1 1 1   -4  -25    4 o   74.421   14.037   72.805   25.130   39.556   39.250   95.904   32.715   58.776   21.064   85.193   15.964 -26.41755 26.43001 
1 1 1   -4  -25    5 o   37.285   14.005   13.349   17.676  -4.6321   33.719   20.163   20.757   40.570   17.690   42.766   15.319 -2.195393 23.40100 
1 1 1   -4  -25    6 o   65.661   14.625   57.241   23.366   47.068   38.664   63.094   29.327   61.667   20.986   68.609   17.161 -6.942867 27.10905 
1 1 1   -4  -25    7 o  292.666   24.081  1150.74  174.434  1150.74  174.434   0.0000   0.0000  292.666   24.081  ?   ?  0.000000 24.08117 
1 1 1   -4  -25    8 o   77.310   14.087   78.724   26.195   79.038   43.170   78.541   32.955   76.207   21.662   76.372   17.636 -0.1658173 27.93310 
1 1 1   -4  -25    9 o  174.129   12.445  388.331   53.758  357.054   73.141  425.078   79.280  164.655   18.086  179.899   17.884 -15.24440 25.43550 
1 1 1   -4  -25   10 o  141.614   11.939  257.215   41.826  287.884   61.316  230.526   57.200  148.003   16.893  131.877   17.826 16.12526 24.55873 
1 1 1   -4  -25   11 o   99.822   13.090  129.714   31.843  166.019   53.604  109.916   39.585  110.431   20.182   90.096   18.220 20.33485 27.18988 
1 1 1   -4  -25   12 o  138.474   14.968  251.161   50.936  404.526  127.011  221.768   55.603  164.344   32.100  128.819   17.757 35.52444 36.68399 
1 1 1   -4  -25   13 o  105.024   13.957  145.115   35.697  125.085   58.340  157.102   45.132   93.012   24.702  107.947   17.329 -14.93501 30.17371 
1 1 1   -4  -25   14 o   99.552   14.142  131.501   34.169  146.775   59.038  123.808   41.900  100.430   23.889   94.719   18.377 5.710327 30.13966 
1 1 1   -4  -25   15 o  169.883   19.549  400.137   81.419  400.137   81.419   0.0000   0.0000  169.883   19.549  ?   ?  0.000000 19.54878 
1 1 1   -4  -25   16 o   70.991   15.895   70.114   27.478  116.711   55.058   54.659   31.709   87.327   24.338   62.141   18.816 25.18560 30.76353 
1 1 1   -4  -25   17 o   52.049   16.681   37.315   24.545   50.337   55.605   34.164   27.354   62.405   24.476   50.785   17.637 11.62069 30.16858 
1 1 1   -4  -25   18 f   35.523   14.467   9.2037   20.187   7.0416   54.141   9.5528   21.756   49.964   22.078   36.592   14.973 13.37151 26.67663 
1 1 1   -4  -25   19 o   37.489   15.145   12.020   21.923   98.404  139.383   9.8292   22.199   74.263   33.883   36.681   15.081 37.58242 37.08709 
1 1 1   -4  -25   20 o   43.327   16.229   23.567   23.704  311.979  148.245   16.000   24.013  100.360   39.772   39.912   15.946 60.44750 42.84953 
1 1 1   -4  -25   21 o   94.437   18.832  138.224   42.852  105.138  157.598  140.865   44.530   69.599   33.115   94.708   19.479 -25.10915 38.41920 
1 1 1   -4  -24    1 o  115.298   10.855  169.095   30.887  160.849   42.237  178.574   45.283  111.327   15.623  117.340   15.860 -6.013062 22.26270 
1 1 1   -4  -24    2 o  372.711   15.326  1771.08  142.645  1767.91  176.529  1777.04  242.136  369.774   19.183  364.907   26.759 4.867035 32.92457 
1 1 1   -4  -24    3 o  253.529   12.027  813.476   76.147  846.813   96.262  757.738  124.470  257.288   15.048  240.649   20.920 16.63889 25.77036 
1 1 1   -4  -24    4 o  219.030   14.610  614.085   79.452  654.211  128.505  589.255  101.089  221.899   23.551  212.633   19.247 9.265823 30.41491 
1 1 1   -4  -24    5 o  131.744   15.951  225.312   51.406  225.312   51.406   0.0000   0.0000  131.744   15.951  ?   ?  0.000000 15.95054 
1 1 1   -4  -24    6 o  178.439   11.258  404.452   49.906  422.565   66.273  380.728   75.848  181.313   14.765  170.831   18.053 10.48232 23.32249 
1 1 1   -4  -24    7 o   61.156   14.797   49.684   22.352   30.113   37.943   60.086   27.661   54.539   20.512   67.066   16.604 -12.52700 26.39034 
1 1 1   -4  -24    8 o  335.706   13.661  1437.36  114.526  1548.40  144.166  1247.43  188.552  346.665   16.653  304.499   25.018 42.16577 30.05381 
1 1 1   -4  -24    9 o   91.157   23.580  114.705   54.082  114.705   54.082   0.0000   0.0000   91.157   23.580  ?   ?  0.000000 23.58012 
1 1 1   -4  -24   10 o  382.827   14.977  1882.04  143.183  2025.06  179.753  1633.76  236.835  394.467   18.248  344.453   27.770 50.01389 33.22863 
1 1 1   -4  -24   11 o   96.608   13.308  121.370   31.254  145.919   51.952  107.446   39.126  103.523   20.818   89.347   18.155 14.17551 27.62214 
1 1 1   -4  -24   12 o   31.305   13.175   2.0220   17.523 -41.0589   43.119   10.544   19.178   37.993   17.847   36.598   14.368 1.394741 22.91146 
1 1 1   -4  -24   13 o  258.244   16.858  873.305  108.116  904.148  181.772  856.420  134.492  251.298   29.529  252.052   21.576 -0.7540588 36.57121 
1 1 1   -4  -24   14 o  165.716   12.092  353.499   49.693  418.011   73.237  298.457   67.647  177.967   16.674  149.183   18.560 28.78441 24.94945 
1 1 1   -4  -24   15 o  208.791   12.544  563.615   65.102  625.733   90.709  497.629   93.491  217.103   16.864  191.300   19.860 25.80365 26.05394 
1 1 1   -4  -24   16 o  237.785   12.685  735.012   75.050  841.462  102.796  613.502  109.826  251.119   16.484  209.877   21.248 41.24193 26.89236 
1 1 1   -4  -24   17 o  123.044   26.169  230.580   77.936  230.580   77.936   0.0000   0.0000  123.044   26.169  ?   ?  0.000000 26.16938 
1 1 1   -4  -24   18 o  165.713   12.604  362.726   51.767  457.432   80.263  295.268   67.740  181.310   17.964  144.317   19.278 36.99284 26.35062 
1 1 1   -4  -24   19 o  214.922   13.777  621.716   73.554  645.032  103.200  597.644  104.862  211.071   19.811  201.199   21.190 9.871750 29.00828 
1 1 1   -4  -24   20 o   44.425   16.428   24.356   24.137  149.576  146.001   20.837   24.474   82.391   36.339   42.835   16.388 39.55562 39.86357 
1 1 1   -4  -24   21 o   35.898   14.829   9.0539   21.595  125.852  152.247   6.6557   21.816   76.037   34.959   35.032   14.720 41.00533 37.93186 
1 1 1   -4  -24   22 o  110.472   18.667  185.501   49.663   52.472  163.603  199.003   52.122   67.180   32.426  114.191   18.942 -47.01054 37.55328 
1 1 1   -4  -24   23 f  109.974   18.107  185.163   47.996  318.534  175.706  174.408   49.894   86.888   38.993  104.854   19.780 -17.96646 43.72290 
1 1 1   -4  -23    1 o  212.133   19.645  582.385  102.887  582.385  102.887   0.0000   0.0000  212.133   19.645  ?   ?  0.000000 19.64548 
1 1 1   -4  -23    2 o  111.930   11.198  159.503   30.879  141.873   42.455  179.305   44.995  104.185   16.897  117.719   15.697 -13.53424 23.06311 
1 1 1   -4  -23    3 o  197.147   18.419  503.016   89.627   0.0000   0.0000  503.016   89.627  ?   ?   197.147   18.419 0.000000 18.41869 
1 1 1   -4  -23    4 o  390.032   19.287  1961.77  187.850  1961.77  187.850   0.0000   0.0000  390.032   19.287  ?   ?  0.000000 19.28684 
1 1 1   -4  -23    5 o  223.404   11.922  633.088   66.272  618.254   84.580  656.679  106.660  219.571   15.526  224.798   19.184 -5.226440 24.67934 
1 1 1   -4  -23    6 o  120.299   14.560  186.910   42.850  164.006   86.784  194.293   49.276  108.070   30.711  122.100   16.591 -14.02954 34.90561 
1 1 1   -4  -23    7 o  145.271   11.839  268.932   42.574  229.356   57.497  316.966   63.344  132.339   17.854  156.404   16.466 -24.06522 24.28737 
1 1 1   -4  -23    8 o  179.913   11.852  411.828   52.949  397.975   70.302  429.987   80.491  175.427   16.232  181.711   17.974 -6.283371 24.21876 
1 1 1   -4  -23    9 o   45.467   14.922   25.483   19.574   11.275   36.366   31.278   23.226   47.038   19.316   50.016   16.247 -2.978699 25.23990 
1 1 1   -4  -23   10 o  174.538   20.343  402.866   87.002  402.866   87.002   0.0000   0.0000  174.538   20.343  ?   ?  0.000000 20.34298 
1 1 1   -4  -23   11 o   70.929   15.128   66.853   25.978   55.271   44.476   72.851   32.005   66.291   22.508   73.610   17.641 -7.318924 28.59787 
1 1 1   -4  -23   12 o   95.422   13.331  118.336   30.899  129.296   50.013  111.570   39.295   97.336   21.178   91.268   17.881 6.067757 27.71713 
1 1 1   -4  -23   13 o   62.241   15.826   51.889   24.653   69.498   47.257   45.305   28.896   72.243   23.146   58.736   17.999 13.50733 29.32049 
1 1 1   -4  -23   14 f   54.161   17.323   37.765   26.480   2.9405  119.548   39.562   27.155   74.348   32.833   55.268   17.528 19.08028 37.21849 
1 1 1   -4  -23   15 f  292.450   16.195  1116.69  117.815  1188.36  172.688  1054.29  161.141  294.585   23.675  277.606   23.465 16.97897 33.33284 
1 1 1   -4  -23   16 o  273.068   13.003  960.460   88.671  1069.84  117.865  817.824  134.592  285.029   16.632  244.068   22.331 40.96152 27.84355 
1 1 1   -4  -23   17 o  263.442   13.537  903.410   88.753  965.825  118.687  824.232  133.678  268.483   17.803  243.383   22.241 25.10069 28.48875 
1 1 1   -4  -23   18 o  159.347   24.637  371.136   94.873  371.136   94.873   0.0000   0.0000  159.347   24.637  ?   ?  0.000000 24.63702 
1 1 1   -4  -23   19 o   77.038   16.229   82.525   30.236   89.392   61.397   80.326   34.741   76.705   26.436   74.953   18.639 1.752480 32.34632 
1 1 1   -4  -23   20 o  167.764   12.877  374.327   53.537  460.569   83.225  313.449   69.924  180.279   18.762  147.920   19.398 32.35823 26.98635 
1 1 1   -4  -23   21 o   27.547   12.327  -5.3883   17.426 -54.1638   58.665  -0.6679   18.250   41.482   19.864   29.991   13.047 11.49074 23.76571 
1 1 1   -4  -23   22 o   70.459   18.426   74.832   32.789  159.240  157.066   70.986   33.528   81.359   36.658   68.301   18.977 13.05856 41.27877 
1 1 1   -4  -23   23 o   96.371   18.751  140.892   43.502   8.0778  162.732  151.113   45.145   65.262   31.698   99.846   18.796 -34.58404 36.85174 
1 1 1   -4  -23   24 o   92.234   18.891  131.945   42.048   80.254  170.691  135.284   43.385   68.157   32.951   93.015   19.310 -24.85762 38.19261 
1 1 1   -4  -22    1 o  129.161   10.420  211.010   33.322  217.790   44.921  202.713   49.688  130.575   13.994  125.421   16.247 5.154312 21.44284 
1 1 1   -4  -22    2 o  120.884   16.290  188.814   47.922   0.0000   0.0000  188.814   47.922  ?   ?   120.884   16.290 0.000000 16.28969 
1 1 1   -4  -22    3 o   78.493   20.180   82.127   39.774   82.127   39.774   0.0000   0.0000   78.493   20.180  ?   ?  0.000000 20.17995 
1 1 1   -4  -22    4 o  466.388   17.976  2783.85  209.354  2804.22  257.843  2744.45  358.645  465.119   22.199  450.336   32.102 14.78284 39.02999 
1 1 1   -4  -22    5 o  200.172   11.333  507.165   56.418  512.219   72.477  499.395   89.874  200.286   14.591  196.424   18.542 3.861618 23.59474 
1 1 1   -4  -22    6 o   41.574   13.927   20.697   17.025   2.4516   30.275   29.135   20.589   40.773   17.247   48.153   15.261 -7.379833 23.02969 
1 1 1   -4  -22    7 o  127.536   15.011  209.945   46.893  121.046   89.471  243.613   55.061   95.369   31.926  137.095   16.409 -41.72556 35.89655 
1 1 1   -4  -22    8 o   81.329   13.080   85.948   25.663   73.915   40.012   94.358   33.450   74.291   20.763   84.484   16.447 -10.19279 26.48785 
1 1 1   -4  -22    9 o   87.342   13.224   98.984   27.941   81.174   43.194  111.798   36.639   77.615   21.531   92.072   16.543 -14.45679 27.15232 
1 1 1   -4  -22   10 o   48.107   15.157   29.315   20.332   2.8988   37.505   40.309   24.195   45.047   19.133   55.537   16.348 -10.49033 25.16603 
1 1 1   -4  -22   11 o  261.406   16.588  881.955  107.722  881.955  107.722   0.0000   0.0000  261.406   16.588  ?   ?  0.000000 16.58807 
1 1 1   -4  -22   12 o  323.744   13.725  1336.80  110.959  1416.11  141.149  1208.50  179.522  330.870   17.142  300.508   24.126 30.36139 29.59598 
1 1 1   -4  -22   13 o  172.673   11.500  379.799   49.304  435.678   69.737  323.952   69.717  183.624   15.349  157.093   18.103 26.53140 23.73425 
1 1 1   -4  -22   14 o  136.162   12.285  237.760   41.322  248.824   61.909  228.870   55.491  137.101   18.560  131.908   17.260 5.192596 25.34537 
1 1 1   -4  -22   15 o  316.121   13.770  1280.42  108.700  1373.53  139.950  1138.84  172.575  324.605   17.328  289.889   24.057 34.71625 29.64758 
1 1 1   -4  -22   16 o  113.102   16.909  169.804   46.290   70.629  133.596  183.336   49.347   87.666   36.602  117.426   17.351 -29.75991 40.50644 
1 1 1   -4  -22   17 o  206.128   13.094  548.230   67.049  551.297   93.301  544.955   96.419  203.453   18.569  201.718   19.380 1.735001 26.83970 
1 1 1   -4  -22   18 o   69.779   16.411   66.456   28.118  104.401   57.357   54.452   32.260   84.910   25.216   63.174   18.946 21.73570 31.54044 
1 1 1   -4  -22   19 o  141.290   22.202  282.793   75.753  282.793   75.753   0.0000   0.0000  141.290   22.202  ?   ?  0.000000 22.20250 
1 1 1   -4  -22   20 o   99.682   14.853  134.103   35.845  147.708   66.246  128.471   42.623   97.584   26.501   95.647   18.515 1.937569 32.32754 
1 1 1   -4  -22   21 o   79.465   15.939   87.977   30.528  140.739   63.914   72.382   34.748   93.891   26.242   70.588   19.203 23.30241 32.51754 
1 1 1   -4  -22   22 o   95.067   14.731  124.673   33.840  227.012   70.759   94.324   38.533  120.199   24.407   79.682   19.519 40.51714 31.25241 
1 1 1   -4  -22   23 o  131.392   16.800  245.942   53.861  384.028  167.542  230.026   56.881  115.583   43.174  125.198   18.772 -9.615639 47.07895 
1 1 1   -4  -22   24 f   33.534   14.404   3.0103   21.691  214.859  165.656  -0.6854   21.880   85.346   38.112   32.316   14.166 53.02965 40.65920 
1 1 1   -4  -22   25 o   87.242   18.977  117.591   40.166  145.984  179.710  116.098   41.208   74.487   35.418   86.093   19.606 -11.60629 40.48242 
1 1 1   -4  -21    1 o  227.615   10.826  650.539   61.535  691.036   78.262  584.961   99.590  233.858   13.458  213.837   18.843 20.02092 23.15527 
1 1 1   -4  -21    2 o  195.417   11.244  481.579   54.638  462.515   69.583  512.234   88.235  190.819   14.716  200.102   17.845 -9.282562 23.13048 
1 1 1   -4  -21    3 o   82.296   10.989   86.638   22.019  127.065   33.153   54.730   29.454   99.426   13.718   64.592   17.724 34.83393 22.41315 
1 1 1   -4  -21    4 o   97.706   19.207  126.022   45.192  126.022   45.192   0.0000   0.0000   97.706   19.207  ?   ?  0.000000 19.20665 
1 1 1   -4  -21    5 o  352.545   14.218  1574.08  125.173  1620.60  155.353  1487.98  211.341  356.444   17.453  336.833   25.311 19.61069 30.74497 
1 1 1   -4  -21    6 o  217.393   11.096  597.159   60.036  637.417   77.031  534.872   95.816  223.894   13.846  203.329   19.094 20.56474 23.58595 
1 1 1   -4  -21    7 o   58.883   13.674   45.680   19.721   55.356   33.163   40.386   24.530   65.010   19.140   55.787   16.472 9.223221 25.25225 
1 1 1   -4  -21    8 o  108.314   11.803  149.941   31.407  131.208   44.780  168.076   44.060   99.514   18.706  113.741   15.951 -14.22701 24.58386 
1 1 1   -4  -21    9 o  181.032   14.211  419.164   63.726  437.574  109.634  409.771   78.315  180.723   24.959  177.760   17.885 2.963394 30.70571 
1 1 1   -4  -21   10 o  174.167   11.136  384.756   48.180  414.862   64.957  347.936   71.836  179.900   14.585  163.562   17.879 16.33778 23.07302 
1 1 1   -4  -21   11 o  408.392   15.058  2129.75  153.564  2328.94  191.544  1771.39  256.924  425.006   18.048  361.164   28.725 63.84244 33.92379 
1 1 1   -4  -21   12 o   43.758   14.897   22.728   19.483   3.1192   37.346   30.060   22.837   45.030   19.107   49.238   16.115 -4.207741 24.99607 
1 1 1   -4  -21   13 o  286.401   23.850  1093.57  169.026  1093.57  169.026   0.0000   0.0000  286.401   23.850  ?   ?  0.000000 23.85037 
1 1 1   -4  -21   14 o   80.234   14.381   84.601   27.755   93.189   47.840   80.244   34.077   82.619   22.555   77.277   17.994 5.341263 28.85344 
1 1 1   -4  -21   15 o  268.048   13.315  916.478   89.125  930.125  115.951  896.775  139.327  267.513   17.453  259.927   21.662 7.585297 27.81831 
1 1 1   -4  -21   16 o  145.460   12.284  271.178   44.203  303.345   66.534  245.760   59.143  151.817   17.893  136.514   17.770 15.30362 25.21814 
1 1 1   -4  -21   17 o  222.938   16.276  647.087   89.985  699.267  167.861  626.045  106.595  220.356   31.393  217.109   19.882 3.246841 37.15918 
1 1 1   -4  -21   18 o  145.458   13.771  274.441   49.425  210.504   74.444  324.838   66.093  121.942   25.277  156.817   17.158 -34.87449 30.55011 
1 1 1   -4  -21   19 o  314.203   13.736  1276.29  107.778  1419.78  141.330  1076.86  166.614  327.720   17.331  278.040   24.239 49.68002 29.79785 
1 1 1   -4  -21   20 o   64.466   16.869   57.154   27.471   61.591   58.253   55.885   31.153   69.205   25.535   63.668   18.496 5.536690 31.53005 
1 1 1   -4  -21   21 o  137.977   26.669  287.444   88.565  287.444   88.565   0.0000   0.0000  137.977   26.669  ?   ?  0.000000 26.66921 
1 1 1   -4  -21   22 o   54.944   16.950   41.675   25.576   56.578   61.742   38.588   28.101   66.223   25.842   53.548   17.892 12.67478 31.43136 
1 1 1   -4  -21   23 o   68.451   17.503   67.532   30.037   5.7733   63.901   85.047   34.030   53.572   23.814   76.654   18.072 -23.08187 29.89477 
1 1 1   -4  -21   24 o  101.695   18.259  150.554   44.664   19.393  169.607  160.327   46.298   71.234   34.020  104.949   18.333 -33.71478 38.64547 
1 1 1   -4  -21   25 o  122.417   17.329  217.220   51.496  331.508  179.551  206.977   53.754  100.102   42.153  118.005   18.878 -17.90337 46.18711 
1 1 1   -4  -21   26 o   92.092   18.196  127.724   40.362  408.826  187.904  114.126   41.327  103.115   43.256   85.588   19.739 17.52663 47.54712 
1 1 1   -4  -21   27 o   65.279   32.288   26.706  194.257   26.706  194.257   0.0000   0.0000   65.279   32.288  ?   ?  0.000000 32.28772 
1 1 1   -4  -20    1 o  187.600   12.201  443.742   56.848  638.348   96.234  339.432   70.455  224.191   17.324  163.013   17.586 61.17735 24.68585 
1 1 1   -4  -20    2 o   49.172   17.288   26.950   26.321   26.950   26.321   0.0000   0.0000   49.172   17.288  ?   ?  0.000000 17.28819 
1 1 1   -4  -20    3 o  144.755   11.007  264.599   39.492  240.010   51.631  299.268   61.307  137.070   15.347  153.043   16.292 -15.97343 22.38229 
1 1 1   -4  -20    4 o  281.755   12.963  999.863   91.204  965.989  113.631  1061.20  152.906  275.707   16.581  287.369   21.462 -11.66190 27.12162 
1 1 1   -4  -20    5 o   80.630   19.867   86.249   39.744   86.249   39.744   0.0000   0.0000   80.630   19.867  ?   ?  0.000000 19.86749 
1 1 1   -4  -20    6 o  195.591   10.975  482.845   53.388  509.254   69.057  443.614   84.169  200.251   13.896  185.629   18.400 14.62218 23.05754 
1 1 1   -4  -20    7 o  301.146   13.158  1146.23   98.947  1156.53  123.543  1127.80  165.246  301.030   16.497  294.463   22.646 6.567261 28.01799 
1 1 1   -4  -20    8 o  106.704   11.263  145.096   29.559  154.332   42.444  136.398   41.189  109.003   16.076  102.183   16.720 6.819801 23.19482 
1 1 1   -4  -20    9 o  161.328   11.258  329.899   45.070  319.104   60.120  343.751   68.101  157.610   15.475  163.191   16.959 -5.581177 22.95802 
1 1 1   -4  -20   10 o  187.476   14.399  449.233   66.894  451.185  113.232  448.186   82.909  183.587   25.377  186.034   18.075 -2.446487 31.15617 
1 1 1   -4  -20   11 f  223.270   11.860  632.137   65.886  641.621   85.503  618.274  103.375  223.777   15.394  218.130   19.173 5.647903 24.58818 
1 1 1   -4  -20   12 o  230.344   11.499  670.893   66.144  732.613   86.458  583.785  102.713  239.402   14.531  211.528   19.670 27.87346 24.45527 
1 1 1   -4  -20   13 o  199.038   11.451  502.715   56.676  552.301   76.067  440.834   84.976  207.577   14.771  183.837   18.774 23.74010 23.88790 
1 1 1   -4  -20   14 o  242.762   22.031  778.336  132.101  778.336  132.101   0.0000   0.0000  242.762   22.031  ?   ?  0.000000 22.03087 
1 1 1   -4  -20   15 o  330.460   14.009  1392.81  115.609  1460.65  146.827  1282.13  187.534  335.991   17.561  309.697   24.448 26.29315 30.10089 
1 1 1   -4  -20   16 o  132.275   12.093  223.918   39.502  271.330   60.789  189.264   51.970  144.032   17.244  119.736   17.933 24.29622 24.87857 
1 1 1   -4  -20   17 o   97.641   13.497  123.850   32.029  153.052   55.138  108.978   39.349  106.031   21.559   90.152   18.107 15.87821 28.15401 
1 1 1   -4  -20   18 o  206.497   14.450  549.869   74.046  1061.57  164.203  419.257   82.959  280.379   23.674  178.119   18.942 102.2604 30.31881 
1 1 1   -4  -20   19 f  308.295   13.903  1221.56  107.038  1323.65  140.224  1079.01  165.693  317.662   17.748  281.367   23.805 36.29416 29.69312 
1 1 1   -4  -20   20 o   77.973   15.664   81.695   29.441  128.819   60.573   67.120   33.688   94.702   25.179   69.944   18.858 24.75868 31.45783 
1 1 1   -4  -20   21 o   99.318   14.461  130.821   34.812  183.695   67.990  112.034   40.528  112.537   24.857   90.117   18.625 22.42002 31.06067 
1 1 1   -4  -20   22 o  228.354   25.112  757.859  140.832  757.859  140.832   0.0000   0.0000  228.354   25.112  ?   ?  0.000000 25.11165 
1 1 1   -4  -20   23 o  257.352   13.332  872.622   85.382  1013.30  118.814  722.389  122.781  272.226   17.572  223.970   22.247 48.25517 28.34962 
1 1 1   -4  -20   24 o  135.891   14.212  249.162   47.516  249.834   79.921  248.795   59.094  125.586   26.326  132.668   18.326 -7.081863 32.07655 
1 1 1   -4  -20   25 o  128.736   14.525  227.090   45.880  247.266   82.462  218.044   55.215  121.158   27.840  122.839   18.580 -1.681396 33.47057 
1 1 1   -4  -20   26 o   69.124   19.006   72.351   33.828   0.0000   0.0000   72.351   33.828  ?   ?    69.124   19.006 0.000000 19.00607 
1 1 1   -4  -20   27 f   72.856   35.017   87.991  186.079   87.991  186.079   0.0000   0.0000   72.856   35.017  ?   ?  0.000000 35.01719 
1 1 1   -4  -20   28 o   33.640   14.534   2.9526   22.341  108.060  194.070   1.5410   22.490   70.971   34.504   33.221   14.467 37.74968 37.41460 
1 1 1   -4  -19    1 o  552.321   24.950  3879.91  344.128  3879.91  344.128   0.0000   0.0000  552.321   24.950  ?   ?  0.000000 24.95040 
1 1 1   -4  -19    2 o  141.358   13.991  253.513   48.738  173.770   79.438  301.650   61.720  114.283   28.045  153.919   16.306 -39.63621 32.44061 
1 1 1   -4  -19    3 o  166.043   9.6755  346.585   39.945  397.265   52.233  275.196   61.993  177.527   11.850  146.686   17.254 30.84064 20.93151 
1 1 1   -4  -19    4 o  297.870   12.097  1114.47   89.985  1202.96  112.212  955.038  150.622  309.060   14.539  272.950   22.293 36.11066 26.61501 
1 1 1   -4  -19    5 o  197.516   10.986  491.301   53.972  500.700   68.897  476.371   86.835  198.887   13.960  193.038   18.229 5.848724 22.96091 
1 1 1   -4  -19    6 o  122.349   10.374  189.277   31.398  205.237   42.941  170.942   46.026  126.860   13.776  115.080   16.487 11.77994 21.48526 
1 1 1   -4  -19    7 o  145.915   18.574  275.270   66.145  275.270   66.145   0.0000   0.0000  145.915   18.574  ?   ?  0.000000 18.57411 
1 1 1   -4  -19    8 o  276.150   11.635  960.573   80.236  1059.64  101.295  793.747  131.451  289.470   14.013  247.591   21.473 41.87943 25.64119 
1 1 1   -4  -19    9 o  411.486   15.457  2150.41  158.834  2285.59  196.978  1899.12  268.559  422.592   18.666  378.116   28.655 44.47583 34.19841 
1 1 1   -4  -19   10 o  261.880   11.645  865.333   76.152  948.682   97.042  731.739  122.859  273.132   14.277  237.238   20.954 35.89355 25.35538 
1 1 1   -4  -19   11 o  186.475   13.834  443.349   63.962  513.880  110.367  407.681   78.486  197.531   22.793  177.511   17.953 20.02039 29.01404 
1 1 1   -4  -19   12 o  436.253   16.323  2431.71  177.826  2560.18  220.757  2194.28  300.102  445.201   19.857  402.731   30.057 42.46948 36.02363 
1 1 1   -4  -19   13 o  226.599   11.595  650.677   65.393  714.819   85.983  562.675  100.713  236.527   14.629  207.804   19.641 28.72252 24.49043 
1 1 1   -4  -19   14 o  161.749   11.334  332.250   45.491  363.810   63.383  298.724   65.328  168.183   15.258  151.516   17.593 16.66658 23.28808 
1 1 1   -4  -19   15 o  304.839   14.072  1183.26  107.119  1171.15  136.209  1202.90  173.422  300.814   18.218  301.623   23.202 -0.8092651 29.50026 
1 1 1   -4  -19   16 o  147.378   12.471  277.484   45.465  268.946   65.729  285.316   62.956  143.028   18.863  147.927   17.373 -4.899002 25.64474 
1 1 1   -4  -19   17 o  207.371   11.947  547.150   61.605  605.561   84.750  481.706   89.706  216.731   15.767  191.799   18.979 24.93112 24.67360 
1 1 1   -4  -19   18 o  238.314   12.537  724.195   74.346  799.169  101.027  635.632  109.801  248.594   16.366  219.562   20.255 29.03198 26.04000 
1 1 1   -4  -19   19 o  298.487   13.128  1137.08   97.853  1287.31  129.255  935.364  149.772  315.253   16.476  264.124   22.935 51.12970 28.23981 
1 1 1   -4  -19   20 o  372.323   17.566  1807.63  163.320  2432.41  263.982  1420.20  207.880  422.034   25.163  321.086   26.154 100.9475 36.29278 
1 1 1   -4  -19   21 o  259.460   13.217  866.920   85.351  961.141  116.651  758.362  125.213  270.291   17.375  236.874   21.399 33.41685 27.56440 
1 1 1   -4  -19   22 o  221.741   13.007  636.338   71.705  703.417  101.367  569.153  101.447  229.716   17.810  204.755   20.100 24.96086 26.85496 
1 1 1   -4  -19   23 f   58.693   25.116   16.358   65.511   16.358   65.511   0.0000   0.0000   58.693   25.116  ?   ?  0.000000 25.11595 
1 1 1   -4  -19   24 o   48.961   16.535   30.997   24.000   56.339   62.372   26.593   26.001   66.998   26.021   47.226   17.116 19.77193 31.14511 
1 1 1   -4  -19   25 o  113.507   15.112  175.539   41.770  145.746   76.032  188.417   49.989   93.089   29.309  115.841   17.854 -22.75233 34.31870 
1 1 1   -4  -19   26 o   73.197   17.479   77.497   31.509   83.119   75.199   76.300   34.703   72.721   28.480   71.839   19.038 0.8828125 34.25718 
1 1 1   -4  -19   27 o   82.505   18.861  101.548   38.012   53.810  183.458  103.690   38.855   74.036   35.365   83.224   19.101 -9.187622 40.19343 
1 1 1   -4  -19   28 o   60.315   18.385   54.773   30.197  346.176  192.402   47.414   30.576   98.194   42.538   56.530   18.654 41.66387 46.44888 
1 1 1   -4  -19   29 o  127.776   17.904  243.422   55.558  404.858  209.318  231.187   57.625   95.033   42.610  122.795   19.440 -27.76208 46.83487 
1 1 1   -4  -18    1 o  159.733   11.725  321.319   46.444  360.278   67.925  287.113   63.647  168.556   16.343  150.137   17.292 18.41957 23.79293 
1 1 1   -4  -18    2 o  178.419   12.226  400.876   54.145  429.552   78.642  375.030   74.660  183.964   17.323  171.727   17.662 12.23758 24.73882 
1 1 1   -4  -18    3 o  473.285   21.340  2833.73  252.219  3122.70  358.427  2550.29  354.980  493.229   29.231  444.253   32.217 48.97562 43.50149 
1 1 1   -4  -18    4 o  250.860   20.297  801.193  126.062   0.0000   0.0000  801.193  126.062  ?   ?   250.860   20.297 0.000000 20.29734 
1 1 1   -4  -18    5 o  130.294   11.583  214.660   37.296  249.520   56.377  187.531   49.734  139.740   16.472  120.783   16.956 18.95730 23.64004 
1 1 1   -4  -18    6 o  354.345   17.253  1586.91  152.669  1713.79  217.686  1464.09  214.171  365.460   23.986  337.015   25.641 28.44534 35.11089 
1 1 1   -4  -18    7 o   97.087   12.405  120.421   29.387  118.745   46.454  121.539   37.945   94.884   20.224   96.793   16.276 -1.909096 25.95979 
1 1 1   -4  -18    8 o  290.520   22.906  1089.32  164.829  1089.32  164.829   0.0000   0.0000  290.520   22.906  ?   ?  0.000000 22.90578 
1 1 1   -4  -18    9 o  164.618   12.647  343.559   51.594  327.838   76.032  356.976   70.241  159.115   19.546  166.801   17.105 -7.685120 25.97399 
1 1 1   -4  -18   10 o  137.105   12.239  238.889   41.463  240.885   62.729  237.339   55.254  136.052   18.980  135.656   16.661 0.3958130 25.25542 
1 1 1   -4  -18   11 o   76.023   13.743   75.329   25.130   89.218   42.106   67.645   31.321   81.707   20.632   71.408   17.662 10.29950 27.15956 
1 1 1   -4  -18   12 o  113.447   20.295  170.439   55.385  170.439   55.385   0.0000   0.0000  113.447   20.295  ?   ?  0.000000 20.29533 
1 1 1   -4  -18   13 o  126.552   16.868  208.049   51.978   0.0000   0.0000  208.049   51.978  ?   ?   126.552   16.868 0.000000 16.86753 
1 1 1   -4  -18   14 o  288.901   12.607  1056.75   90.955  1128.59  115.845  941.289  146.865  297.056   15.672  268.034   22.140 29.02173 27.12573 
1 1 1   -4  -18   15 o  156.979   11.397  312.954   44.374  329.177   61.773  295.657   63.783  159.850   15.677  150.926   17.232 8.923645 23.29635 
1 1 1   -4  -18   16 o   63.314   15.852   53.228   25.006  -4.1111   43.178   82.165   30.674   46.290   20.102   78.782   16.134 -32.49185 25.77629 
1 1 1   -4  -18   17 o  255.214   22.823  861.580  143.918  861.580  143.918   0.0000   0.0000  255.214   22.823  ?   ?  0.000000 22.82280 
1 1 1   -4  -18   18 o  112.694   12.988  163.425   35.882  177.628   58.480  154.848   45.441  114.985   21.146  108.412   17.372 6.572708 27.36629 
1 1 1   -4  -18   19 o  257.521   12.297  842.250   79.077  974.487  106.867  682.229  117.559  275.177   15.616  227.340   20.943 47.83734 26.12432 
1 1 1   -4  -18   20 o  225.114   12.310  646.327   68.937  763.232   96.944  526.741   98.049  242.934   16.071  199.737   19.924 43.19656 25.59748 
1 1 1   -4  -18   21 o  143.248   15.932  267.999   56.027  330.261  155.361  258.691   60.069  143.800   41.169  140.061   17.561 3.738831 44.75790 
1 1 1   -4  -18   22 o  171.059   13.323  377.638   56.461  374.948   84.627  379.796   75.797  166.691   20.782  169.209   18.226 -2.518463 27.64170 
1 1 1   -4  -18   23 o  216.950   12.935  608.068   69.760  684.160  100.186  536.452   97.195  226.835   17.830  199.319   19.789 27.51591 26.63682 
1 1 1   -4  -18   24 o  105.597   14.450  148.028   37.104  194.915   71.355  130.653   43.438  115.109   25.496   97.291   18.556 17.81761 31.53351 
1 1 1   -4  -18   25 o  166.554   18.931  383.218   77.339   0.0000   0.0000  383.218   77.339  ?   ?   166.554   18.931 0.000000 18.93125 
1 1 1   -4  -18   26 o  159.160   23.532  376.613   90.710  376.613   90.710   0.0000   0.0000  159.160   23.532  ?   ?  0.000000 23.53235 
1 1 1   -4  -18   27 o   84.614   16.486  101.107   33.582  109.209   74.727   99.056   37.592   80.382   29.033   82.437   18.691 -2.055824 34.52978 
1 1 1   -4  -18   28 o  124.939   17.171  222.368   52.158  361.276  189.150  210.937   54.262  107.974   44.162  120.366   18.656 -12.39219 47.94125 
1 1 1   -4  -18   29 o   69.101   18.887   72.513   33.521   83.979  191.094   72.149   34.049   74.758   35.813   68.792   19.128 5.965645 40.60071 
1 1 1   -4  -18   30 o   48.012   17.667   31.176   27.855  184.111  202.444   28.225   28.122   78.274   37.323   46.719   17.640 31.55530 41.28120 
1 1 1   -4  -17    1 o  123.261   11.891  191.986   36.148  172.408   53.353  208.600   49.148  115.587   19.155  127.997   15.706 -12.40942 24.77062 
1 1 1   -4  -17    2 o   44.986   13.826   25.333   17.037   1.8605   29.352   37.258   20.921   40.378   17.025   53.744   15.011 -13.36596 22.69808 
1 1 1   -4  -17    3 f  175.491   12.032  387.613   52.408  434.915   76.331  345.428   72.084  185.304   16.674  164.788   17.800 20.51617 24.38976 
1 1 1   -4  -17    4 o  298.369   14.708  1117.73  109.586  1317.17  157.008  928.277  153.025  322.634   19.580  269.916   22.920 52.71854 30.14474 
1 1 1   -4  -17    5 o  146.625   16.677  273.992   59.976   0.0000   0.0000  273.992   59.976  ?   ?   146.625   16.677 0.000000 16.67671 
1 1 1   -4  -17    6 o  654.130   28.914  5488.02  472.310  5926.25  669.723  5054.40  666.185  670.517   40.183  616.220   43.573 54.29651 59.27283 
1 1 1   -4  -17    7 o  281.101   14.766  997.253  103.286  1108.39  148.191  892.259  144.036  295.053   20.235  264.087   22.042 30.96582 29.92191 
1 1 1   -4  -17    8 o  143.290   12.079  259.739   42.817  265.903   63.672  254.651   57.851  143.849   18.128  141.021   16.756 2.828568 24.68532 
1 1 1   -4  -17    9 o  215.943   19.911  598.154  106.162  598.154  106.162   0.0000   0.0000  215.943   19.911  ?   ?  0.000000 19.91133 
1 1 1   -4  -17   10 o  330.039   16.391  1380.32  135.092  1518.13  193.236  1248.58  188.933  343.145   22.679  310.188   24.593 32.95609 33.45325 
1 1 1   -4  -17   11 o  409.151   18.693  2135.97  190.992  2466.02  272.845  1818.86  267.444  435.185   25.215  370.993   29.101 64.19186 38.50554 
1 1 1   -4  -17   12 o  268.480   14.262  915.182   95.275  1062.69  138.043  780.998  131.663  287.424   19.345  245.245   21.723 42.17880 29.08864 
1 1 1   -4  -17   13 o   67.303   13.977   59.454   22.722   87.959   40.949   46.773   27.313   81.130   20.270   59.861   17.298 21.26907 26.64759 
1 1 1   -4  -17   14 o  230.211   19.821  687.116  112.834   0.0000   0.0000  687.116  112.834  ?   ?   230.211   19.821 0.000000 19.82066 
1 1 1   -4  -17   15 o  150.497   12.281  288.244   45.753  333.228   70.521  255.545   60.125  160.279   17.926  140.235   17.554 20.04436 25.08953 
1 1 1   -4  -17   16 o  235.405   13.848  706.047   81.046  791.989  119.359  632.527  110.397  247.005   19.510  220.234   20.302 26.77092 28.15664 
1 1 1   -4  -17   17 o  107.058   13.947  147.997   36.401  148.943   60.214  147.453   45.697  104.644   23.605  105.765   17.943 -1.121094 29.65046 
1 1 1   -4  -17   18 o   57.806   22.694   28.100   47.846   28.100   47.846   0.0000   0.0000   57.806   22.694  ?   ?  0.000000 22.69399 
1 1 1   -4  -17   19 o  286.710   13.008  1044.18   93.130  1135.13  122.096  917.653  144.011  296.965   16.530  263.814   22.062 33.15088 27.56786 
1 1 1   -4  -17   20 o  315.925   13.600  1271.39  107.292  1389.33  139.824  1102.50  167.317  327.951   17.133  287.822   23.484 40.12939 29.06931 
1 1 1   -4  -17   21 o   88.592   14.808  103.016   31.603  113.653   57.931   98.509   37.709   90.622   24.854   85.672   18.188 4.949493 30.79793 
1 1 1   -4  -17   22 o  160.739   15.268  335.159   60.549  588.528  159.117  292.257   65.475  201.883   32.679  148.933   17.968 52.94968 37.29296 
1 1 1   -4  -17   23 o   45.735   16.057   24.428   22.700   20.221   57.664   25.199   24.694   58.413   24.189   46.911   16.719 11.50191 29.40411 
1 1 1   -4  -17   24 o  153.963   13.102  307.096   49.894  364.342   80.978  272.063   63.347  163.947   20.207  142.474   18.223 21.47391 27.20996 
1 1 1   -4  -17   25 o  168.029   13.291  367.977   55.314  441.006   88.879  321.808   70.668  179.369   20.194  153.914   18.776 25.45560 27.57383 
1 1 1   -4  -17   26 o   83.897   29.705  107.294   77.833  107.294   77.833   0.0000   0.0000   83.897   29.705  ?   ?  0.000000 29.70493 
1 1 1   -4  -17   27 o   97.501   14.781  129.014   34.861  222.805   74.179  102.428   39.493  120.534   25.443   84.463   19.164 36.07108 31.85312 
1 1 1   -4  -17   28 o  120.179   14.128  195.598   41.591  309.431   82.997  157.428   48.061  141.913   24.294  104.391   19.142 37.52231 30.92893 
1 1 1   -4  -17   29 o   46.341   16.799   27.210   25.053  370.465  185.938   20.864   25.283  111.763   44.463   43.358   16.640 68.40543 47.47441 
1 1 1   -4  -17   30 o   80.872   18.170   97.065   35.800  480.310  197.956   84.106   36.400  119.377   46.358   74.343   19.401 45.03370 50.25414 
1 1 1   -4  -17   31 o   39.181   15.901   13.744   24.287   33.274  209.479   13.478   24.451   69.992   34.409   39.147   15.929 30.84528 37.91705 
1 1 1   -4  -17   32 o   78.523   37.789  257.232  218.379  257.232  218.379   0.0000   0.0000   78.523   37.789  ?   ?  0.000000 37.78931 
1 1 1   -4  -16    1 o  570.624   37.205  4180.15  527.248  4180.15  527.248   0.0000   0.0000  570.624   37.205  ?   ?  0.000000 37.20466 
1 1 1   -4  -16    2 o  245.131   14.117  755.477   86.051  750.239  122.769  760.535  120.649  243.367   20.389  245.128   19.881 -1.761078 28.47744 
1 1 1   -4  -16    3 o  504.538   21.215  3206.17  267.289  3898.35  380.220  2529.88  375.828  554.724   27.448  443.906   34.166 110.8186 43.82586 
1 1 1   -4  -16    4 o  341.483   15.970  1463.77  136.181  1741.81  194.446  1196.11  190.784  371.197   21.064  306.497   25.148 64.69940 32.80425 
1 1 1   -4  -16    5 o  312.957   16.347  1233.73  127.308  1219.28  181.334  1247.77  178.773  309.637   23.630  313.403   23.003 -3.766083 32.97800 
1 1 1   -4  -16    6 o  465.974   31.365  2791.86  362.846   0.0000   0.0000  2791.86  362.846  ?   ?   465.974   31.365 0.000000 31.36495 
1 1 1   -4  -16    7 o  138.326   10.922  241.228   37.421  354.003   57.095  156.301   49.547  167.354   13.785  109.828   18.738 57.52574 23.26207 
1 1 1   -4  -16    8 o  425.955   19.368  2294.08  206.015  2605.50  293.338  1990.96  289.401  450.927   26.163  392.480   29.749 58.44708 39.61683 
1 1 1   -4  -16    9 o   80.979   13.413   84.598   26.174   66.207   42.138   96.152   33.399   71.847   21.677   85.956   16.153 -14.10833 27.03338 
1 1 1   -4  -16   10 o  111.947   12.255  159.365   33.701  162.504   51.758  157.055   44.403  111.651   19.259  110.289   16.640 1.362381 25.45216 
1 1 1   -4  -16   11 o  265.159   21.854  905.075  143.419  905.075  143.419   0.0000   0.0000  265.159   21.854  ?   ?  0.000000 21.85430 
1 1 1   -4  -16   12 o  182.101   12.301  419.577   55.611  493.017   82.417  358.194   75.349  196.359   16.975  166.773   18.399 29.58565 25.03325 
1 1 1   -4  -16   13 o  219.039   12.908  607.662   70.292  725.975  103.466  506.247   95.793  238.126   17.523  197.961   19.637 40.16451 26.31824 
1 1 1   -4  -16   14 f   73.026   14.269   69.811   25.087   60.414   43.665   74.441   30.651   69.036   22.262   75.027   16.780 -5.991188 27.87789 
1 1 1   -4  -16   15 o  117.872   16.643  180.432   47.625   0.0000   0.0000  180.432   47.625  ?   ?   117.872   16.643 0.000000 16.64260 
1 1 1   -4  -16   16 o  187.812   13.089  448.669   61.004  472.398   91.197  429.454   82.068  190.693   19.422  182.142   18.290 8.550674 26.67883 
1 1 1   -4  -16   17 o  189.963   12.827  458.938   60.493  529.211   91.452  404.271   80.660  202.220   18.308  176.446   18.586 25.77458 26.08874 
1 1 1   -4  -16   18 o  205.480   13.160  537.463   67.171  625.243  101.632  469.378   89.507  219.627   18.709  189.924   19.133 29.70256 26.76007 
1 1 1   -4  -16   19 o  214.313   21.754  604.185  114.811  604.185  114.811   0.0000   0.0000  214.313   21.754  ?   ?  0.000000 21.75426 
1 1 1   -4  -16   20 f  171.152   13.689  374.769   58.019  384.739   89.427  367.523   76.242  170.537   21.475  167.837   18.498 2.700043 28.34387 
1 1 1   -4  -16   21 o   91.916   14.820  110.453   32.860   83.185   58.110  123.272   39.842   79.391   25.690   96.560   17.152 -17.16885 30.88955 
1 1 1   -4  -16   22 f   82.717   15.103   90.177   30.048  120.092   58.565   79.489   35.007   93.200   24.748   76.840   18.472 16.36034 30.88169 
1 1 1   -4  -16   23 o   58.601   16.806   45.528   25.870   60.994   60.145   42.017   28.656   71.556   26.016   57.027   17.997 14.52903 31.63449 
1 1 1   -4  -16   24 o  109.574   17.534  159.956   46.360   0.0000   0.0000  159.956   46.360  ?   ?   109.574   17.534 0.000000 17.53391 
1 1 1   -4  -16   25 o  141.242   23.333  277.690   79.424  277.690   79.424   0.0000   0.0000  141.242   23.333  ?   ?  0.000000 23.33321 
1 1 1   -4  -16   26 o  190.087   14.071  472.068   66.317  440.042   98.515  498.606   89.679  177.388   22.765  192.027   18.949 -14.63864 29.61898 
1 1 1   -4  -16   27 f  112.671   29.860  200.982   85.366  200.982   85.366   0.0000   0.0000  112.671   29.860  ?   ?  0.000000 29.86015 
1 1 1   -4  -16   28 o   97.024   15.035  127.891   35.250  215.192   77.266  104.945   39.613  117.337   26.939   85.724   19.003 31.61247 32.96717 
1 1 1   -4  -16   29 o   39.767   15.521   15.247   22.277  -2.4197   71.412   17.152   23.447   54.672   24.668   41.222   15.969 13.45034 29.38586 
1 1 1   -4  -16   30 o  126.999   17.093  227.922   52.831  393.997  202.764  215.827   54.721  112.492   45.834  122.395   18.479 -9.902550 49.41919 
1 1 1   -4  -16   31 o   78.296   18.926   91.945   36.594   7.3294  194.710   95.044   37.258   71.341   34.656   79.583   19.009 -8.241829 39.52674 
1 1 1   -4  -16   32 o   29.287   13.152  -5.6953   20.024 -107.5932  206.906  -4.7318   20.119   63.802   31.847   29.682   13.266 34.12019 34.49977 
1 1 1   -4  -16   33 o   44.374   17.195   24.219   27.191 -65.9469  227.686   25.524   27.387   63.861   32.094   44.995   17.307 18.86641 36.46311 
1 1 1   -4  -15    1 o  134.023   11.289  226.323   37.431  249.843   54.395  205.168   51.588  140.296   15.801  126.823   16.695 13.47332 22.98698 
1 1 1   -4  -15    2 o  440.752   20.195  2441.99  222.277  2706.93  315.309  2180.25  313.393  461.945   27.457  413.598   30.560 48.34753 41.08259 
1 1 1   -4  -15    3 o  768.259   33.574  7512.64  644.116  7960.58  912.076  7066.97  909.764  782.541   46.890  735.274   49.843 47.26727 68.43216 
1 1 1   -4  -15    4 o  373.609   18.284  1753.39  170.582  1737.99  242.022  1768.60  240.465  369.861   26.377  373.218   25.963 -3.356506 37.01078 
1 1 1   -4  -15    5 o  440.907   20.319  2446.67  223.712  2635.43  317.653  2260.91  315.116  455.132   28.086  420.806   30.188 34.32605 41.23272 
1 1 1   -4  -15    6 o  522.789   23.902  3453.75  312.039  3476.33  442.239  3431.36  440.346  520.202   34.235  516.779   34.317 3.422729 48.47374 
1 1 1   -4  -15    7 o  155.247   11.687  303.597   44.977  371.475   67.484  249.348   60.330  171.241   15.965  139.713   17.688 31.52782 23.82785 
1 1 1   -4  -15    8 o  481.368   22.553  2932.92  271.103  2862.88  384.851  3001.91  381.961  470.943   32.932  482.791   31.861 -11.84756 45.82161 
1 1 1   -4  -15    9 o  243.852   13.626  749.023   82.646  851.804  119.285  654.136  114.612  259.171   18.554  226.532   20.482 32.63861 27.63611 
1 1 1   -4  -15   10 o  407.133   18.935  2096.19  192.514  2317.99  274.305  1880.90  270.254  425.034   25.969  381.618   28.566 43.41559 38.60567 
1 1 1   -4  -15   11 o  261.977   13.936  866.220   90.840  1015.72  131.245  728.738  125.860  282.582   18.705  238.441   21.364 44.14110 28.39523 
1 1 1   -4  -15   12 o  183.927   19.192  434.274   86.850  434.274   86.850   0.0000   0.0000  183.927   19.192  ?   ?  0.000000 19.19192 
1 1 1   -4  -15   13 o   79.220   13.919   81.462   26.531   58.007   43.859   94.998   33.319   68.330   22.332   85.240   16.246 -16.90961 27.61620 
1 1 1   -4  -15   14 f  219.992   13.827  613.846   75.573  609.277  109.914  617.942  104.078  217.163   20.511  219.160   19.211 -1.997421 28.10294 
1 1 1   -4  -15   15 f  111.515   12.212  158.686   33.451  201.048   54.279  132.745   42.475  124.305   18.011  100.675   17.532 23.63007 25.13510 
1 1 1   -4  -15   16 o  253.788   14.362  819.039   90.645  896.198  132.587  751.328  124.205  263.173   20.333  240.608   20.879 22.56482 29.14326 
1 1 1   -4  -15   17 o   83.425   14.272   90.659   28.664  109.861   54.728   83.400   33.648   90.170   23.914   79.295   17.465 10.87534 29.61261 
1 1 1   -4  -15   18 o  259.944   14.655  861.367   94.741  939.880  138.843  792.956  129.602  268.814   20.846  246.595   21.254 22.21872 29.77089 
1 1 1   -4  -15   19 o  155.061   12.624  306.301   48.456  367.071   77.063  266.562   62.317  167.986   18.687  143.139   17.820 24.84715 25.82173 
1 1 1   -4  -15   20 o   72.646   16.712   70.154   29.687   5.6774   55.230   96.352   35.206   54.713   23.227   85.289   17.125 -30.57615 28.85762 
1 1 1   -4  -15   21 o  180.477   12.937  415.222   57.917  521.833   92.090  345.459   74.494  200.359   18.619  162.685   18.675 37.67429 26.37084 
1 1 1   -4  -15   22 o   92.848   14.794  112.569   33.149  128.361   66.022  107.246   38.331   96.365   26.575   89.805   17.722 6.560173 31.94213 
1 1 1   -4  -15   23 o  139.599   14.468  251.393   49.705  236.526   81.941  260.047   62.520  130.959   25.974  140.730   18.218 -9.771606 31.72567 
1 1 1   -4  -15   24 o   96.269   15.403  121.769   35.780  104.992   68.996  127.940   41.846   87.521   27.959   97.997   17.754 -10.47549 33.11951 
1 1 1   -4  -15   25 o  122.257   17.186  197.683   51.019   46.790  157.963  215.257   53.909   89.116   38.575  127.588   17.372 -38.47190 42.30579 
1 1 1   -4  -15   26 o   97.591   15.086  126.015   35.580  139.336   69.129  121.214   41.498   97.917   27.265   94.525   18.241 3.391548 32.80439 
1 1 1   -4  -15   27 o  168.133   14.936  371.499   62.058  245.935   93.513  470.319   82.959  127.193   29.939  187.326   17.954 -60.13292 34.90968 
1 1 1   -4  -15   28 o  106.715   30.652  181.844   85.997  181.844   85.997   0.0000   0.0000  106.715   30.652  ?   ?  0.000000 30.65245 
1 1 1   -4  -15   29 o   42.752   15.960   20.140   22.888   31.452   75.099   18.982   24.032   63.321   26.988   42.676   16.260 20.64481 31.50817 
1 1 1   -4  -15   30 o   51.449   16.987   35.883   25.352   36.781   68.267   35.739   27.304   61.728   25.993   51.685   17.635 10.04217 31.41066 
1 1 1   -4  -15   31 o  110.972   15.836  171.409   42.640  126.875   82.389  187.701   49.833   84.200   30.474  114.559   18.014 -30.35915 35.40051 
1 1 1   -4  -15   32 o   76.437   18.582   86.948   35.123  261.804  200.794   81.429   35.673   92.684   41.632   73.544   19.213 19.13940 45.85199 
1 1 1   -4  -15   33 f  105.778   18.311  165.991   46.617  232.964  223.650  162.949   47.664   83.696   39.713  104.141   19.029 -20.44495 44.03708 
1 1 1   -4  -15   34 o   89.589   19.113  124.429   41.457  210.196  240.266  121.797   42.088   76.446   37.430   88.122   19.629 -11.67619 42.26515 
1 1 1   -4  -14    1 o  678.546   30.094  5831.11  509.924  5771.70  721.437  5890.42  720.846  668.713   43.438  675.833   42.935 -7.119690 61.07589 
1 1 1   -4  -14    2 o  637.868   28.050  5143.45  446.798  5499.35  632.951  4789.98  630.791  654.802   38.883  609.752   41.677 45.05048 56.99856 
1 1 1   -4  -14    3 o  402.217   18.924  2031.57  190.070  2189.79  269.669  1875.37  267.938  415.723   26.109  384.134   28.128 31.58984 38.37745 
1 1 1   -4  -14    4 o  755.851   48.485  7436.35  910.333  7436.35  910.333   0.0000   0.0000  755.851   48.485  ?   ?  0.000000 48.48533 
1 1 1   -4  -14    5 o  634.671   27.989  5097.12  443.590  5426.81  628.474  4769.83  626.193  649.796   38.910  607.856   41.501 41.94019 56.88890 
1 1 1   -4  -14    6 o  346.527   17.031  1507.24  147.377  1596.76  209.685  1419.84  207.183  355.012   23.790  334.419   24.990 20.59241 34.50290 
1 1 1   -4  -14    7 o  201.400   13.139  510.319   65.720  492.651   94.655  526.763   91.319  196.957   19.501  203.950   18.119 -6.993393 26.61968 
1 1 1   -4  -14    8 o  363.135   17.957  1658.10  162.839  1653.33  231.560  1662.77  229.038  360.362   25.905  361.492   25.536 -1.129761 36.37543 
1 1 1   -4  -14    9 o  286.360   21.907  1041.97  155.466   0.0000   0.0000  1041.97  155.466  ?   ?   286.360   21.907 0.000000 21.90679 
1 1 1   -4  -14   10 o  487.912   22.571  3016.02  275.012  3078.26  390.248  2954.61  387.617  488.326   32.183  478.147   32.658 10.17871 45.85080 
1 1 1   -4  -14   11 o  132.664   12.228  222.694   40.053  221.869   60.431  223.340   53.489  131.205   18.997  132.133   16.576 -0.9274445 25.21174 
1 1 1   -4  -14   12 o   50.210   14.684   32.305   19.576   28.690   35.688   33.861   23.413   53.854   19.964   52.021   16.245 1.833103 25.73827 
1 1 1   -4  -14   13 o  312.819   23.968  1260.47  185.809  1260.47  185.809   0.0000   0.0000  312.819   23.968  ?   ?  0.000000 23.96843 
1 1 1   -4  -14   14 o  151.520   12.429  290.883   46.614  294.602   69.776  287.885   62.644  151.078   18.909  149.777   17.053 1.301010 25.46291 
1 1 1   -4  -14   15 f   79.957   13.946   83.026   26.832   69.024   44.928   90.790   33.454   73.100   22.451   83.154   16.691 -10.05366 27.97540 
1 1 1   -4  -14   16 o   68.085   15.137   61.015   25.070   40.492   45.253   70.103   30.113   61.608   22.541   72.823   16.887 -11.21470 28.16531 
1 1 1   -4  -14   17 o  300.879   15.909  1153.99  119.106  1226.82  172.098  1087.05  165.008  307.111   22.599  288.751   23.077 18.36053 32.29941 
1 1 1   -4  -14   18 o  168.512   17.625  366.643   73.072   0.0000   0.0000  366.643   73.072  ?   ?   168.512   17.625 0.000000 17.62547 
1 1 1   -4  -14   19 o   56.635   15.685   42.084   22.943   27.623   45.652   46.970   26.538   57.026   22.230   59.847   16.974 -2.820957 27.96914 
1 1 1   -4  -14   20 o  208.422   13.274  552.588   68.726  638.641  103.920  485.693   91.624  222.094   18.918  193.365   19.230 28.72820 26.97553 
1 1 1   -4  -14   21 o  260.207   15.215  865.412   98.436  884.334  144.797  849.154  134.222  259.515   22.568  254.962   21.276 4.553421 31.01547 
1 1 1   -4  -14   22 o   88.319   26.499  105.589   63.102  105.589   63.102   0.0000   0.0000   88.319   26.499  ?   ?  0.000000 26.49947 
1 1 1   -4  -14   23 o  111.016   17.384  161.911   46.612   0.0000   0.0000  161.911   46.612  ?   ?   111.016   17.384 0.000000 17.38428 
1 1 1   -4  -14   24 o  178.881   23.548  429.034  102.632  429.034  102.632   0.0000   0.0000  178.881   23.548  ?   ?  0.000000 23.54798 
1 1 1   -4  -14   25 o   85.982   16.333   98.125   33.787  120.802   71.267   91.550   38.374   93.093   28.214   82.319   19.045 10.77444 34.04031 
1 1 1   -4  -14   26 o   48.658   17.033   27.822   25.536  179.675  166.029   24.142   25.843  111.425   42.671   46.917   17.054 64.50774 45.95284 
1 1 1   -4  -14   27 o   59.423   17.509   47.291   27.743 -14.2002   66.781   60.117   30.499   54.213   24.204   66.481   17.951 -12.26812 30.13448 
1 1 1   -4  -14   28 o  128.303   14.212  216.124   44.769  233.777   81.662  208.539   53.529  126.362   26.715  124.363   17.739 1.998779 32.06824 
1 1 1   -4  -14   29 o   81.503   16.568   91.134   32.571   76.148   69.729   95.317   36.837   74.805   27.871   82.671   18.325 -7.865829 33.35510 
1 1 1   -4  -14   30 o   71.212   18.228   71.950   32.553  -1.0946   71.675   90.933   36.539   56.158   25.074   79.984   18.639 -23.82615 31.24268 
1 1 1   -4  -14   31 o   74.406   18.049   79.483   33.193 -13.4274   75.815  101.516   36.920   54.476   24.907   84.295   18.081 -29.81856 30.77784 
1 1 1   -4  -14   32 o   46.301   16.541   27.206   24.187   66.399   78.757   23.125   25.415   69.170   28.417   44.654   16.789 24.51548 33.00625 
1 1 1   -4  -14   33 o   39.923   15.840   15.116   23.541  352.694  202.724   10.502   23.702  103.707   44.275   38.018   15.601 65.68896 46.94316 
1 1 1   -4  -14   34 f   52.706   18.029   39.827   28.537 -68.6539  213.649   41.797   28.795   66.822   33.191   53.717   18.111 13.10513 37.81122 
1 1 1   -4  -14   35 o   75.293   19.309   89.010   36.479 -119.5858  229.922   94.397   36.947   62.901   31.694   77.739   19.156 -14.83804 37.03334 
1 1 1   -4  -13    1 o  752.134   33.146  7189.23  622.553  7196.02  880.789  7182.46  880.057  744.230   47.643  743.521   47.650 0.7091064 67.38206 
1 1 1   -4  -13    2 o  478.531   22.133  2881.36  264.480  2822.11  374.315  2940.44  373.749  470.569   32.045  480.592   31.313 -10.02316 44.80404 
1 1 1   -4  -13    3 o  344.104   16.882  1485.06  145.065  1592.93  205.924  1378.79  204.390  354.911   23.365  329.769   25.006 25.14178 34.22343 
1 1 1   -4  -13    4 o  388.289   18.573  1892.68  180.085  1981.39  255.414  1804.98  253.950  395.436   26.011  377.094   27.150 18.34222 37.59853 
1 1 1   -4  -13    5 o  405.220   27.890  2085.11  280.501  2085.11  280.501   0.0000   0.0000  405.220   27.890  ?   ?  0.000000 27.88984 
1 1 1   -4  -13    6 o  476.805   21.938  2861.11  261.206  2963.76  370.193  2759.32  368.615  482.484   30.887  465.168   31.926 17.31644 44.42210 
1 1 1   -4  -13    7 o  491.310   22.541  3040.48  276.550  3122.96  392.013  2958.77  390.194  494.798   31.896  481.315   32.657 13.48331 45.64947 
1 1 1   -4  -13    8 o  233.869   13.595  687.558   79.053  737.690  113.693  640.634  109.994  241.523   19.004  224.844   19.792 16.67944 27.43853 
1 1 1   -4  -13    9 o  635.243   28.290  5121.38  448.763  5286.72  635.821  4957.27  633.479  639.125   40.040  618.135   41.276 20.98981 57.50627 
1 1 1   -4  -13   10 o  180.858   17.675  415.225   78.804   0.0000   0.0000  415.225   78.804  ?   ?   180.858   17.675 0.000000 17.67453 
1 1 1   -4  -13   11 o  254.952   14.632  818.942   92.768  805.893  133.151  831.251  129.322  251.625   21.393  255.794   20.416 -4.168747 29.57153 
1 1 1   -4  -13   12 o  135.858   12.292  233.423   41.251  230.189   61.998  235.993   55.257  133.707   19.112  135.902   16.629 -2.194489 25.33369 
1 1 1   -4  -13   13 o   67.403   14.301   59.298   23.326   63.238   40.399   57.328   28.570   70.293   21.229   66.175   17.149 4.118385 27.28973 
1 1 1   -4  -13   14 o  254.665   21.470  831.428  135.267  831.428  135.267   0.0000   0.0000  254.665   21.470  ?   ?  0.000000 21.47036 
1 1 1   -4  -13   15 f   65.000   14.481   55.380   22.904   75.712   40.507   45.824   27.769   75.835   20.776   59.602   17.505 16.23278 27.16737 
1 1 1   -4  -13   16 o  233.408   14.509  691.079   84.147  631.525  121.668  745.685  116.503  220.680   22.388  240.992   19.527 -20.31233 29.70729 
1 1 1   -4  -13   17 o  299.404   15.571  1139.76  116.021  1259.09  167.474  1029.64  160.882  312.189   21.615  281.502   23.090 30.68753 31.62827 
1 1 1   -4  -13   18 o  150.079   12.412  286.139   46.099  328.185   71.594  256.361   60.250  159.285   18.334  140.772   17.518 18.51292 25.35754 
1 1 1   -4  -13   19 o  103.464   16.937  139.830   42.245   0.0000   0.0000  139.830   42.245  ?   ?   103.464   16.937 0.000000 16.93676 
1 1 1   -4  -13   20 o   87.247   14.890   99.263   31.277   55.582   55.337  119.768   37.914   69.679   25.007   95.654   16.467 -25.97463 29.94128 
1 1 1   -4  -13   21 o  209.733   14.357  561.007   74.743  522.410  112.044  591.954  100.328  199.140   22.951  213.824   18.987 -14.68422 29.78686 
1 1 1   -4  -13   22 o  290.274   15.882  1077.81  114.684  1146.26  168.477  1018.71  156.554  295.578   23.007  278.744   22.688 16.83447 32.31165 
1 1 1   -4  -13   23 o  232.653   23.161  714.493  132.772  714.493  132.772   0.0000   0.0000  232.653   23.161  ?   ?  0.000000 23.16110 
1 1 1   -4  -13   24 o   79.475   15.859   83.463   30.372  134.823   65.291   69.280   34.311   98.923   26.065   71.955   18.864 26.96738 32.17535 
1 1 1   -4  -13   25 o   63.431   17.429   53.479   28.458 -13.1110   66.487   68.416   31.489   55.337   24.459   71.486   17.727 -16.14901 30.20701 
1 1 1   -4  -13   26 o   57.684   16.933   43.783   25.989   85.294   66.834   36.387   28.209   80.902   27.591   54.065   17.922 26.83674 32.90053 
1 1 1   -4  -13   27 o  142.851   17.704  269.135   61.800   0.0000   0.0000  269.135   61.800  ?   ?   142.851   17.704 0.000000 17.70368 
1 1 1   -4  -13   28 o  110.439   14.957  160.390   40.189  149.289   72.862  165.245   48.181  101.234   27.918  110.929   18.011 -9.695061 33.22361 
1 1 1   -4  -13   29 o  157.063   14.733  323.709   57.108  218.341   88.591  398.625   74.700  120.049   29.712  172.737   17.562 -52.68781 34.51387 
1 1 1   -4  -13   30 o   88.223   16.795  106.568   35.649   41.504   73.958  126.261   40.687   66.629   27.475   95.812   17.656 -29.18253 32.65895 
1 1 1   -4  -13   31 f   59.249   26.172   8.3943   76.017   8.3943   76.017   0.0000   0.0000   59.249   26.172  ?   ?  0.000000 26.17220 
1 1 1   -4  -13   32 o   72.438   18.285   75.489   33.080 -26.8850   79.307   97.051   36.397   53.661   24.870   82.376   18.181 -28.71468 30.80663 
1 1 1   -4  -13   33 f   53.276   17.034   39.579   25.606   45.253   79.929   38.930   27.031   65.031   27.783   53.055   17.541 11.97656 32.85710 
1 1 1   -4  -13   34 o   42.432   16.051   20.601   23.311   1.7264  211.605   20.833   23.454   73.512   35.805   42.599   16.103 30.91312 39.25954 
1 1 1   -4  -13   35 o   51.085   17.386   36.909   26.537  174.650  226.091   34.985   26.722   80.702   38.738   50.115   17.431 30.58657 42.47876 
1 1 1   -4  -13   36 o   75.243   18.880   87.954   35.416  225.374  241.034   84.922   35.805   78.115   38.083   73.600   19.259 4.515175 42.67603 
1 1 1   -4  -12    1 o  601.880   27.007  4582.10  405.923  4474.83  574.196  4689.26  573.929  589.407   39.236  603.869   38.257 -14.46252 54.80030 
1 1 1   -4  -12    2 o  686.466   44.105  6099.91  752.057   0.0000   0.0000  6099.91  752.057  ?   ?   686.466   44.105 0.000000 44.10484 
1 1 1   -4  -12    3 o  174.202   12.191  381.659   52.698  368.184   75.127  394.711   73.939  170.351   17.930  176.585   16.977 -6.233459 24.69175 
1 1 1   -4  -12    4 o  595.196   26.599  4472.39  395.342  4607.89  559.729  4337.49  558.470  599.787   37.560  581.411   38.686 18.37592 53.91982 
1 1 1   -4  -12    5 o  396.284   18.882  1971.66  186.854  2060.57  264.951  1883.68  263.557  403.214   26.460  385.190   27.582 18.02414 38.22220 
1 1 1   -4  -12    6 o  531.554   34.862  3609.23  460.185  3609.23  460.185   0.0000   0.0000  531.554   34.862  ?   ?  0.000000 34.86157 
1 1 1   -4  -12    7 o  574.450   25.701  4163.73  368.688  4352.82  522.273  3975.89  520.539  583.380   36.027  556.839   37.656 26.54102 52.11424 
1 1 1   -4  -12    8 o  434.661   20.480  2375.46  222.301  2387.39  315.161  2363.66  313.607  433.231   29.304  431.062   29.308 2.168732 41.44456 
1 1 1   -4  -12    9 f  292.719   15.740  1077.63  114.633  1043.28  163.256  1111.05  161.000  286.819   22.987  296.246   21.919 -9.427277 31.76184 
1 1 1   -4  -12   10 o  497.198   22.717  3117.74  282.047  3244.21  400.121  2992.84  397.640  503.771   31.972  483.361   33.144 20.40964 46.05079 
1 1 1   -4  -12   11 o  185.374   17.829  435.976   81.515   0.0000   0.0000  435.976   81.515  ?   ?   185.374   17.829 0.000000 17.82915 
1 1 1   -4  -12   12 o  361.540   17.656  1645.16  159.405  1732.99  227.418  1560.33  223.499  368.838   24.836  349.624   25.781 19.21448 35.79753 
1 1 1   -4  -12   13 o  120.742   12.230  184.697   36.366  189.855   55.474  180.810   48.157  121.259   18.939  118.705   16.708 2.553497 25.25580 
1 1 1   -4  -12   14 o  285.068   15.647  1026.45  110.961  1007.65  159.125  1044.25  154.810  280.603   22.909  285.996   21.842 -5.393158 31.65231 
1 1 1   -4  -12   15 o  230.353   13.488  669.800   77.247  751.989  112.440  596.334  106.305  242.963   18.675  215.883   19.945 27.08023 27.32308 
1 1 1   -4  -12   16 o  150.815   19.438  293.729   71.504  293.729   71.504   0.0000   0.0000  150.815   19.438  ?   ?  0.000000 19.43842 
1 1 1   -4  -12   17 o  228.248   14.355  660.535   81.404  609.899  118.050  706.442  112.403  217.022   22.091  234.653   19.355 -17.63046 29.37034 
1 1 1   -4  -12   18 o   71.057   14.493   66.135   24.846   81.556   45.348   59.520   29.701   78.515   22.161   67.166   17.523 11.34896 28.25194 
1 1 1   -4  -12   19 o  144.791   12.523  266.471   44.834  295.243   69.605  246.069   58.612  150.857   18.891  137.943   17.402 12.91370 25.68466 
1 1 1   -4  -12   20 o   88.266   17.290  102.638   36.746   0.0000   0.0000  102.638   36.746  ?   ?    88.266   17.290 0.000000 17.28978 
1 1 1   -4  -12   21 o  162.320   13.652  335.929   54.822  293.418   84.976  366.238   71.751  148.523   23.709  168.520   17.295 -19.99702 29.34653 
1 1 1   -4  -12   22 o  120.560   17.215  189.232   50.355   0.0000   0.0000  189.232   50.355  ?   ?   120.560   17.215 0.000000 17.21453 
1 1 1   -4  -12   23 o  293.345   24.606  1135.44  178.581  1135.44  178.581   0.0000   0.0000  293.345   24.606  ?   ?  0.000000 24.60575 
1 1 1   -4  -12   24 o  256.290   23.625  866.638  149.499  866.638  149.499   0.0000   0.0000  256.290   23.625  ?   ?  0.000000 23.62513 
1 1 1   -4  -12   25 o   69.139   16.758   63.637   28.632   58.500   62.859   64.982   32.163   72.169   26.542   69.781   18.250 2.388306 32.21067 
1 1 1   -4  -12   26 o   78.403   17.421   82.060   33.223  -0.7978   73.450  103.372   37.252   60.623   26.273   88.175   17.535 -27.55236 31.58690 
1 1 1   -4  -12   27 f  108.983   15.980  155.582   42.198   39.609   76.080  207.113   50.714   70.083   28.248  125.848   16.538 -55.76543 32.73285 
1 1 1   -4  -12   28 o  151.031   17.803  300.522   65.856   0.0000   0.0000  300.522   65.856  ?   ?   151.031   17.803 0.000000 17.80346 
1 1 1   -4  -12   29 o   82.480   16.302   91.372   32.388  131.286   74.940   82.205   35.915   95.012   28.962   77.483   18.762 17.52937 34.50797 
1 1 1   -4  -12   30 o  147.604   14.638  285.966   53.244  238.120   87.488  314.112   67.101  126.487   28.394  152.987   17.903 -26.50015 33.56710 
1 1 1   -4  -12   31 o  133.813   14.205  236.619   46.740  249.853   83.729  230.629   56.334  129.158   26.837  130.118   17.804 -0.9598236 32.20555 
1 1 1   -4  -12   32 o   65.374   27.830   35.122   79.684   35.122   79.684   0.0000   0.0000   65.374   27.830  ?   ?  0.000000 27.83024 
1 1 1   -4  -12   33 o   55.304   16.942   42.560   25.602   71.385   71.821   38.364   27.402   71.165   27.843   53.178   17.665 17.98668 32.97419 
1 1 1   -4  -12   34 o   51.560   16.935   36.471   25.210   61.053   79.989   33.761   26.563   68.495   28.436   50.328   17.386 18.16694 33.33012 
1 1 1   -4  -12   35 o   33.724   14.308   3.8946   20.935 -69.0165  216.479   4.5829   21.033   70.318   34.648   34.068   14.391 36.24995 37.51777 
1 1 1   -4  -12   36 f   71.776   18.494   77.735   33.354  235.467  234.237   74.471   33.698   84.727   40.330   70.015   18.853 14.71233 44.51894 
1 1 1   -4  -12   37 o   50.399   17.579   36.572   27.188 -52.4426  245.808   37.675   27.356   66.388   33.362   50.970   17.642 15.41789 37.73883 
1 1 1   -4  -11    1 o  349.646   17.363  1536.33  151.605  1491.83  214.560  1580.70  214.245  342.421   25.271  352.726   24.475 -10.30518 35.17984 
1 1 1   -4  -11    2 o  417.330   19.802  2191.14  206.362  2038.61  291.848  2343.66  291.832  399.692   29.448  429.308   27.364 -29.61646 40.19895 
1 1 1   -4  -11    3 o  455.681   30.535  2646.92  345.450   0.0000   0.0000  2646.92  345.450  ?   ?   455.681   30.535 0.000000 30.53465 
1 1 1   -4  -11    4 o  146.252   11.742  269.399   42.524  227.219   60.595  310.330   59.692  133.230   18.730  156.587   15.468 -23.35727 24.29140 
1 1 1   -4  -11    5 o  447.850   20.953  2521.77  234.336  2510.47  331.800  2533.02  331.003  444.241   30.087  446.300   29.872 -2.058258 42.39777 
1 1 1   -4  -11    6 o  479.847   21.938  2896.28  262.879  3064.43  372.566  2729.56  370.973  490.981   30.538  462.774   32.304 28.20712 44.45376 
1 1 1   -4  -11    7 o  191.133   12.348  459.091   58.620  516.836   84.127  404.594   81.727  202.329   16.802  178.587   18.599 23.74115 25.06459 
1 1 1   -4  -11    8 o  894.297   57.379 10533.14  1274.63 10533.14  1274.63   0.0000   0.0000  894.297   57.379  ?   ?  0.000000 57.37853 
1 1 1   -4  -11    9 o  395.983   18.866  1969.08  186.553  2070.08  264.807  1869.56  262.856  404.078   26.388  383.640   27.622 20.43774 38.20095 
1 1 1   -4  -11   10 o  335.811   16.755  1414.82  140.506  1482.35  200.075  1349.10  197.363  342.143   23.561  326.158   24.409 15.98505 33.92488 
1 1 1   -4  -11   11 o  325.065   16.621  1329.62  134.467  1361.05  191.531  1299.07  188.829  327.635   23.567  320.000   23.800 7.634247 33.49443 
1 1 1   -4  -11   12 o  243.618   14.318  746.804   86.723  737.245  124.844  755.719  120.558  240.986   20.954  244.196   19.944 -3.209671 28.92826 
1 1 1   -4  -11   13 o  149.810   16.971  285.760   62.369   0.0000   0.0000  285.760   62.369  ?   ?   149.810   16.971 0.000000 16.97089 
1 1 1   -4  -11   14 o  193.290   12.935  470.827   62.073  492.091   90.682  452.079   85.148  196.667   18.689  188.500   18.320 8.166580 26.17097 
1 1 1   -4  -11   15 o  290.964   15.649  1068.96  113.283  1092.04  162.527  1047.15  157.983  292.408   22.429  286.345   22.269 6.062286 31.60638 
1 1 1   -4  -11   16 o  348.723   17.536  1541.07  152.224  1590.16  217.528  1493.95  213.095  351.640   24.934  340.668   25.228 10.97226 35.47077 
1 1 1   -4  -11   17 o   71.633   22.057   65.662   43.334   65.662   43.334   0.0000   0.0000   71.633   22.057  ?   ?  0.000000 22.05704 
1 1 1   -4  -11   18 o  200.279   13.265  507.839   65.968  530.137   97.359  488.913   89.697  203.082   19.435  195.187   18.629 7.894623 26.92132 
1 1 1   -4  -11   19 o  258.794   14.581  849.785   93.846  913.239  136.568  793.013  129.178  266.207   20.707  247.822   21.074 18.38454 29.54423 
1 1 1   -4  -11   20 o  113.690   13.390  165.487   37.286  144.430   60.822  178.165   47.194  103.621   23.980  117.290   16.575 -13.66878 29.15060 
1 1 1   -4  -11   21 o  160.522   13.101  327.738   52.057  346.951   82.033  314.785   67.357  163.080   20.603  156.153   17.579 6.926544 27.08366 
1 1 1   -4  -11   22 o  133.083   13.812  226.601   45.234  227.086   78.278  226.358   55.425  129.904   25.038  132.152   17.203 -2.248398 30.37858 
1 1 1   -4  -11   23 o  290.121   16.510  1076.58  119.118  1024.83  173.472  1122.75  163.855  278.689   25.199  293.334   22.541 -14.64487 33.80980 
1 1 1   -4  -11   24 o  142.900   13.266  260.750   46.800  310.637   79.133  233.915   58.037  153.658   21.186  134.078   17.772 19.58028 27.65329 
1 1 1   -4  -11   25 o   79.858   16.767   84.457   32.371   48.945   61.038   98.354   38.184   68.920   25.996   85.971   18.345 -17.05047 31.81731 
1 1 1   -4  -11   26 o  157.742   14.396  319.093   56.084  256.294   90.358  358.447   71.530  136.544   27.452  166.263   17.490 -29.71896 32.55008 
1 1 1   -4  -11   27 f  266.247   21.860  933.040  144.059   0.0000   0.0000  933.040  144.059  ?   ?   266.247   21.860 0.000000 21.86018 
1 1 1   -4  -11   28 o   88.533   16.586  103.936   35.321   39.881   71.283  124.780   40.664   68.746   27.472   96.958   17.436 -28.21157 32.53758 
1 1 1   -4  -11   29 o   52.746   16.847   35.592   25.051 -59.4438   71.086   49.069   26.769   49.250   23.064   60.617   16.997 -11.36669 28.65056 
1 1 1   -4  -11   30 o   50.759   16.511   32.849   23.985 -10.8394   73.259   38.095   25.384   57.383   25.503   54.013   16.923 3.369930 30.60703 
1 1 1   -4  -11   31 o   54.879   17.201   39.875   26.223 -85.0696   68.698   61.184   28.371   44.185   21.247   66.857   16.965 -22.67268 27.18903 
1 1 1   -4  -11   32 o  116.614   15.015  181.438   42.709  151.266   79.473  193.690   50.643   98.160   29.804  119.219   17.535 -21.05938 34.57928 
1 1 1   -4  -11   33 o   55.928   25.133  -5.7579   73.266  -5.7579   73.266   0.0000   0.0000   55.928   25.133  ?   ?  0.000000 25.13332 
1 1 1   -4  -11   34 o   45.521   16.172   25.686   23.088   48.085   77.483   23.504   24.186   66.487   27.827   44.751   16.463 21.73634 32.33219 
1 1 1   -4  -11   35 o  108.503   16.505  164.400   43.310   80.785   87.477  191.553   49.849   73.681   30.073  116.368   17.713 -42.68732 34.90151 
1 1 1   -4  -11   36 o   71.794   18.787   76.602   34.071   7.9353  238.529   78.032   34.424   75.842   37.169   72.433   18.850 3.408653 41.67544 
1 1 1   -4  -11   37 o   63.237   18.451   60.231   30.942  188.416  243.278   58.123   31.196   81.570   39.412   62.101   18.632 19.46869 43.59462 
1 1 1   -4  -11   38 o   47.474   17.233   30.909   26.373 -144.0979  256.071   32.786   26.514   64.012   32.396   48.422   17.317 15.58983 36.73402 
1 1 1   -4  -10    1 o  437.254   20.613  2414.70  225.069  2376.31  318.431  2453.01  318.160  430.139   29.830  437.264   29.307 -7.124237 41.81754 
1 1 1   -4  -10    2 o  290.094   15.429  1059.75  111.372  1017.34  157.671  1101.98  157.338  282.850   22.509  294.671   21.531 -11.82013 31.14844 
1 1 1   -4  -10    3 o  484.716   22.406  2965.12  271.205  2868.29  383.630  3061.87  383.454  472.858   32.689  489.055   31.567 -16.19754 45.44281 
1 1 1   -4  -10    4 o  568.845   37.095  4161.37  524.051   0.0000   0.0000  4161.37  524.051  ?   ?   568.845   37.095 0.000000 37.09476 
1 1 1   -4  -10    5 o  467.868   21.718  2755.28  253.745  2737.54  359.119  2772.96  358.581  463.389   31.216  466.467   30.959 -3.077698 43.96503 
1 1 1   -4  -10    6 o  610.312   27.294  4706.28  415.973  4474.82  588.195  4937.86  588.354  589.816   40.174  620.583   38.150 -30.76715 55.40231 
1 1 1   -4  -10    7 o  458.958   21.224  2648.24  243.251  2769.05  344.679  2528.37  343.341  466.869   29.719  445.681   31.044 21.18747 42.97581 
1 1 1   -4  -10    8 f  391.643   18.815  1925.39  184.012  1968.39  260.913  1882.83  259.556  394.063   26.671  385.260   27.153 8.803497 38.06095 
1 1 1   -4  -10    9 o  242.654   20.187  744.757  121.214  744.757  121.214   0.0000   0.0000  242.654   20.187  ?   ?  0.000000 20.18704 
1 1 1   -4  -10   10 o  448.472   20.566  2527.98  230.317  2761.14  326.890  2298.14  324.558  466.525   28.192  424.793   30.805 41.73288 41.75811 
1 1 1   -4  -10   11 o  561.364   25.098  3976.08  351.832  4201.62  498.808  3752.78  496.333  573.250   35.013  540.921   36.966 32.32910 50.91508 
1 1 1   -4  -10   12 o  278.433   15.229  974.935  105.489  973.445  150.641  976.369  147.768  277.159   21.945  277.661   21.479 -0.5022888 30.70673 
1 1 1   -4  -10   13 o  496.740   22.558  3113.26  279.825  3307.42  397.379  2922.28  394.106  508.603   31.442  477.283   33.275 31.32013 45.77992 
1 1 1   -4  -10   14 o  525.166   34.789  3558.27  453.649   0.0000   0.0000  3558.27  453.649  ?   ?   525.166   34.789 0.000000 34.78879 
1 1 1   -4  -10   15 o  106.098   13.367  143.465   34.630   83.132   53.348  187.404   45.526   80.617   24.405  121.152   15.396 -40.53499 28.85564 
1 1 1   -4  -10   16 o  432.566   20.648  2369.86  223.042  2366.93  317.186  2372.72  313.699  428.061   29.860  428.768   29.477 -0.7062683 41.95852 
1 1 1   -4  -10   17 o  167.759   13.182  355.967   54.778  310.852   81.210  393.629   74.199  154.949   21.573  175.724   17.127 -20.77507 27.54507 
1 1 1   -4  -10   18 o   37.811   16.983 -15.5208   33.407 -15.5208   33.407   0.0000   0.0000   37.811   16.983  ?   ?  0.000000 16.98294 
1 1 1   -4  -10   19 o  267.136   15.379  905.336  102.160  865.407  147.400  942.247  141.720  258.620   23.066  270.680   21.134 -12.05954 31.28381 
1 1 1   -4  -10   20 o  201.955   13.413  517.001   67.262  542.834  100.143  495.768   90.788  205.200   19.788  196.344   18.744 8.856430 27.25665 
1 1 1   -4  -10   21 o  210.434   19.043  570.328   98.984   0.0000   0.0000  570.328   98.984  ?   ?   210.434   19.043 0.000000 19.04261 
1 1 1   -4  -10   22 o  165.337   21.282  357.278   85.828  357.278   85.828   0.0000   0.0000  165.337   21.282  ?   ?  0.000000 21.28186 
1 1 1   -4  -10   23 o  214.629   19.277  595.190  102.218   0.0000   0.0000  595.190  102.218  ?   ?   214.629   19.277 0.000000 19.27726 
1 1 1   -4  -10   24 o  169.743   14.370  367.914   60.340  247.931   91.355  460.767   80.366  134.727   28.065  189.247   17.193 -54.52087 32.91260 
1 1 1   -4  -10   25 o   83.939   15.736   92.477   31.773   59.778   59.546  105.493   37.568   72.105   25.934   89.387   17.457 -17.28172 31.26166 
1 1 1   -4  -10   26 o  186.389   14.510  444.033   67.005  374.911  103.590  493.758   87.860  167.081   25.647  195.351   18.221 -28.27023 31.46078 
1 1 1   -4  -10   27 o  183.656   23.295  447.766  104.433  447.766  104.433   0.0000   0.0000  183.656   23.295  ?   ?  0.000000 23.29468 
1 1 1   -4  -10   28 o  259.679   15.878  866.167  102.466  852.196  155.136  876.978  136.469  252.520   24.927  258.439   21.337 -5.919235 32.81178 
1 1 1   -4  -10   29 o   97.052   14.957  123.190   35.085  146.072   72.490  116.190   40.094  101.967   27.734   93.363   17.848 8.604301 32.98072 
1 1 1   -4  -10   30 o  118.541   15.296  183.731   44.224   90.110   79.839  225.171   53.117   83.530   30.031  130.917   16.622 -47.38671 34.32395 
1 1 1   -4  -10   31 o   55.954   17.460   41.127   27.050   0.0000   0.0000   41.127   27.050  ?   ?    55.954   17.460 0.000000 17.45967 
1 1 1   -4  -10   32 o   87.761   16.545  104.268   34.928   28.609   76.591  124.134   39.247   65.447   27.544   95.748   17.039 -30.30077 32.38829 
1 1 1   -4  -10   33 o   53.128   17.331   37.246   26.418   25.025   71.684   39.167   28.419   62.272   26.450   54.493   17.984 7.779221 31.98522 
1 1 1   -4  -10   34 o   61.053   26.904   12.381   79.852   12.381   79.852   0.0000   0.0000   61.053   26.904  ?   ?  0.000000 26.90394 
1 1 1   -4  -10   35 o   83.942   16.652   98.608   33.673  130.520   83.778   92.459   36.774   87.751   30.844   80.171   18.710 7.579887 36.07520 
1 1 1   -4  -10   36 o  140.911   14.670  269.869   50.866  347.465  100.996  243.498   58.878  144.905   28.924  130.739   18.555 14.16603 34.36388 
1 1 1   -4  -10   37 o   41.772   15.945   19.314   23.137   59.792   91.453   16.546   23.915   68.241   29.445   40.803   16.036 27.43821 33.52870 
1 1 1   -4  -10   38 f   67.829   18.732   69.782   32.775  126.188  255.341   68.837   33.048   78.096   38.310   67.284   18.893 10.81202 42.71553 
1 1 1   -4   -9    1 o  173.745   12.041  380.433   51.923  352.975   73.575  407.676   73.285  166.346   17.999  179.177   16.566 -12.83051 24.46239 
1 1 1   -4   -9    2 f  234.792   13.643  694.438   79.645  707.117  113.161  681.992  112.117  235.889   19.382  231.593   19.570 4.296402 27.54318 
1 1 1   -4   -9    3 o  607.121   27.363  4694.71  414.846  4742.27  586.949  4647.24  586.413  602.866   39.201  596.518   39.592 6.347656 55.71541 
1 1 1   -4   -9    4 o  387.907   18.762  1894.19  181.746  1858.02  257.231  1930.25  256.824  381.573   27.173  389.129   26.589 -7.556213 38.01788 
1 1 1   -4   -9    5 o  199.941   18.109  506.439   89.433   0.0000   0.0000  506.439   89.433  ?   ?   199.941   18.109 0.000000 18.10858 
1 1 1   -4   -9    6 o  690.547   30.636  6052.68  528.294  6033.69  747.376  6071.64  746.865  682.255   44.103  684.505   43.925 -2.249451 62.24576 
1 1 1   -4   -9    7 o  637.512   28.408  5140.83  452.253  5178.86  639.953  5102.88  639.211  634.427   40.607  629.614   40.877 4.813232 57.61795 
1 1 1   -4   -9    8 o  659.287   29.217  5497.99  481.020  5642.00  680.887  5354.50  679.646  662.407   41.369  644.752   42.450 17.65491 59.27396 
1 1 1   -4   -9    9 o  850.964   37.258  9229.03  791.732  9372.73  1120.33  9085.67  1119.03  847.208   53.225  833.519   54.053 13.68933 75.85975 
1 1 1   -4   -9   10 o  251.324   20.569  798.847  127.964  798.847  127.964   0.0000   0.0000  251.324   20.569  ?   ?  0.000000 20.56949 
1 1 1   -4   -9   11 o  305.454   16.027  1172.76  121.821  1175.59  173.182  1169.98  171.395  304.771   22.923  304.072   22.737 0.6990356 32.28639 
1 1 1   -4   -9   12 o  696.949   30.721  6158.40  534.668  6387.95  757.263  5930.20  755.013  703.356   43.325  676.755   44.931 26.60126 62.41690 
1 1 1   -4   -9   13 o  339.616   17.150  1451.31  144.972  1482.96  206.407  1420.49  203.663  341.992   24.328  334.629   24.544 7.362366 34.55751 
1 1 1   -4   -9   14 o  794.754   35.038  8082.48  695.390  8287.03  984.676  7878.97  982.188  793.565   49.944  772.718   51.190 20.84656 71.51818 
1 1 1   -4   -9   15 o  585.943   38.436  4454.18  559.281   0.0000   0.0000  4454.18  559.281  ?   ?   585.943   38.436 0.000000 38.43596 
1 1 1   -4   -9   16 o  314.245   16.387  1245.58  128.145  1273.26  183.530  1219.25  179.004  316.083   23.418  309.291   23.348 6.791626 33.06914 
1 1 1   -4   -9   17 f  410.561   19.829  2132.27  203.301  2130.80  289.328  2133.71  285.729  406.632   28.677  407.082   28.283 -0.4501038 40.27765 
1 1 1   -4   -9   18 o  449.927   21.146  2572.49  237.581  2662.77  338.159  2484.48  333.862  452.847   30.074  436.957   30.794 15.89078 43.04337 
1 1 1   -4   -9   19 o  345.746   25.834  1546.93  221.441  1546.93  221.441   0.0000   0.0000  345.746   25.834  ?   ?  0.000000 25.83443 
1 1 1   -4   -9   20 o  181.788   12.794  418.264   57.708  488.465   88.550  366.439   76.083  195.203   18.382  168.850   18.339 26.35329 25.96579 
1 1 1   -4   -9   21 o  115.888   13.208  171.562   37.541  144.382   59.194  189.850   48.555  103.897   23.380  121.274   16.458 -17.37675 28.59210 
1 1 1   -4   -9   22 o  247.393   14.622  777.330   89.929  797.530  131.361  759.512  123.372  248.246   21.399  242.544   20.563 5.702667 29.67753 
1 1 1   -4   -9   23 o  214.276   14.302  583.796   76.086  537.198  112.280  623.365  103.464  202.799   22.553  219.966   19.023 -17.16696 29.50455 
1 1 1   -4   -9   24 o  138.161   17.186  246.885   58.014   0.0000   0.0000  246.885   58.014  ?   ?   138.161   17.186 0.000000 17.18628 
1 1 1   -4   -9   25 o  206.557   13.842  542.688   70.987  566.485  108.144  524.672   94.097  208.613   21.047  201.488   18.923 7.125992 28.30283 
1 1 1   -4   -9   26 o  317.053   16.130  1283.92  127.282  1462.41  187.327  1130.84  173.478  334.940   22.528  293.594   23.868 41.34607 32.82062 
1 1 1   -4   -9   27 o   98.521   14.620  125.879   34.877   97.429   63.078  138.407   41.857   85.635   26.652  102.817   16.889 -17.18229 31.55264 
1 1 1   -4   -9   28 o  201.172   23.090  535.316  113.894  535.316  113.894   0.0000   0.0000  201.172   23.090  ?   ?  0.000000 23.09008 
1 1 1   -4   -9   29 o  179.916   14.481  415.111   64.511  382.411  104.293  435.375   82.102  168.027   25.670  182.913   18.217 -14.88545 31.47734 
1 1 1   -4   -9   30 o   95.979   15.448  120.896   35.769  102.688   74.367  126.376   40.798   87.429   29.104   97.599   17.377 -10.16998 33.89694 
1 1 1   -4   -9   31 o  121.590   14.613  192.522   43.480  200.283   84.534  189.730   50.701  117.864   28.935  119.663   17.483 -1.799240 33.80617 
1 1 1   -4   -9   32 o   34.265   14.171   4.9722   19.755   0.0000   0.0000   4.9722   19.755  ?   ?    34.265   14.171 0.000000 14.17087 
1 1 1   -4   -9   33 o   91.857   15.534  113.129   34.362  173.201   83.958  101.041   37.661  106.204   30.216   85.702   18.162 20.50203 35.25404 
1 1 1   -4   -9   34 o   75.324   16.936   78.470   31.083   80.250   81.675   78.168   33.613   77.213   29.835   74.742   18.183 2.470764 34.93916 
1 1 1   -4   -9   35 o   53.699   18.067   38.297   28.653 -21.7271   80.972   46.889   30.635   55.802   25.596   58.318   18.630 -2.515537 31.65872 
1 1 1   -4   -9   36 o  112.339   16.889  175.022   45.913   64.537   92.333  211.316   52.920   72.298   30.325  123.002   17.742 -50.70380 35.13376 
1 1 1   -4   -9   37 o   49.901   17.012   33.286   25.409   52.941   87.029   31.455   26.567   67.973   29.014   49.192   17.361 18.78143 33.81176 
1 1 1   -4   -9   38 o  111.929   16.806  177.671   45.523  119.203  104.213  191.459   50.606   80.053   32.765  115.110   18.211 -35.05659 37.48628 
1 1 1   -4   -9   39 o   43.175   16.504   21.786   24.809   56.060  276.556   21.508   24.909   75.139   37.395   43.079   16.521 32.05998 40.88168 
1 1 1   -4   -8    1 o  222.517   19.042  629.902  104.788  629.902  104.788   0.0000   0.0000  222.517   19.042  ?   ?  0.000000 19.04151 
1 1 1   -4   -8    2 o  290.577   15.431  1065.34  111.569  1057.24  157.959  1073.41  157.605  287.890   22.142  290.159   21.913 -2.268494 31.15167 
1 1 1   -4   -8    3 o  201.571   12.727  511.880   63.733  509.470   90.361  514.265   89.905  200.148   18.281  201.132   18.094 -0.9834747 25.72109 
1 1 1   -4   -8    4 o  384.021   18.641  1859.63  178.758  1822.53  252.942  1896.64  252.663  377.228   27.031  385.063   26.436 -7.835602 37.80897 
1 1 1   -4   -8    5 o  181.561   12.317  415.017   55.514  391.853   78.794  437.848   78.225  175.509   18.245  185.830   17.047 -10.32164 24.96940 
1 1 1   -4   -8    6 o  302.115   22.568  1158.04  169.032   0.0000   0.0000  1158.04  169.032  ?   ?   302.115   22.568 0.000000 22.56804 
1 1 1   -4   -8    7 o  467.563   21.497  2752.26  251.003  2905.30  355.813  2600.66  354.137  477.641   29.983  451.305   31.623 26.33640 43.57756 
1 1 1   -4   -8    8 o  977.183   42.289 12269.33  1031.95 13196.51  1461.40 11347.21  1457.40  998.876   58.848  921.607   63.717 77.26935 86.73501 
1 1 1   -4   -8    9 o  395.249   18.695  1960.93  184.520  2120.10  261.874  1804.00  260.036  409.223   25.758  376.906   27.825 32.31683 37.91657 
1 1 1   -4   -8   10 o  486.784   22.316  2980.37  271.272  3092.59  384.418  2869.05  382.861  493.161   31.378  474.616   32.499 18.54489 45.17500 
1 1 1   -4   -8   11 o  887.631   56.786 10339.73  1252.11 10339.73  1252.11   0.0000   0.0000  887.631   56.786  ?   ?  0.000000 56.78627 
1 1 1   -4   -8   12 o  562.782   25.156  3992.49  353.533  4225.09  501.135  3762.04  498.815  575.376   35.045  542.110   37.069 33.26624 51.01271 
1 1 1   -4   -8   13 o  828.079   36.245  8742.57  749.498  9025.44  1061.20  8461.03  1058.71  831.371   51.367  803.699   53.050 27.67157 73.84321 
1 1 1   -4   -8   14 o  234.463   13.708  690.994   79.910  751.664  115.695  635.648  110.504  243.833   19.155  223.975   19.967 19.85852 27.66914 
1 1 1   -4   -8   15 o  392.719   18.959  1939.58  185.928  1985.33  265.193  1895.34  260.748  394.979   27.050  385.832   27.238 9.147034 38.38720 
1 1 1   -4   -8   16 o  303.570   22.806  1171.11  171.618   0.0000   0.0000  1171.11  171.618  ?   ?   303.570   22.806 0.000000 22.80551 
1 1 1   -4   -8   17 o  463.632   21.712  2719.39  251.375  2747.65  357.036  2691.60  353.979  461.906   31.135  457.123   31.196 4.782898 44.07450 
1 1 1   -4   -8   18 o  331.338   16.473  1383.20  136.296  1514.56  195.215  1258.27  190.380  344.581   22.816  313.416   24.520 31.16501 33.49323 
1 1 1   -4   -8   19 f  146.010   12.539  269.790   45.276  274.284   68.091  266.229   60.618  145.960   19.143  144.193   17.172 1.766525 25.71650 
1 1 1   -4   -8   20 o  403.569   28.405  2119.77  284.438   0.0000   0.0000  2119.77  284.438  ?   ?   403.569   28.405 0.000000 28.40520 
1 1 1   -4   -8   21 o  215.335   20.562  597.124  109.227  597.124  109.227   0.0000   0.0000  215.335   20.562  ?   ?  0.000000 20.56239 
1 1 1   -4   -8   22 o  194.688   13.726  480.863   66.306  441.252   97.934  514.387   90.096  184.261   21.700  200.223   18.219 -15.96257 28.33387 
1 1 1   -4   -8   23 o  160.290   12.862  326.203   51.050  338.847   78.810  317.062   67.008  161.567   19.957  156.940   17.390 4.626999 26.47116 
1 1 1   -4   -8   24 o   91.687   14.443  108.913   31.975   67.979   56.105  128.604   38.913   74.454   25.280   99.386   16.240 -24.93266 30.04713 
1 1 1   -4   -8   25 o   29.139   12.540  -1.3116   16.498   0.0000   0.0000  -1.3116   16.498  ?   ?    29.139   12.540 0.000000 12.53991 
1 1 1   -4   -8   26 o  280.805   16.486  1007.50  115.098  904.029  167.560  1099.93  158.374  261.543   26.000  290.936   21.961 -29.39310 34.03336 
1 1 1   -4   -8   27 o  107.740   14.219  149.626   37.321  124.563   66.208  161.299   45.184   95.763   26.689  111.292   16.779 -15.52956 31.52527 
1 1 1   -4   -8   28 o  135.071   13.734  233.610   45.681  245.548   79.503  227.727   55.814  135.133   24.460  132.389   17.296 2.743805 29.95767 
1 1 1   -4   -8   29 f  205.282   23.115  557.116  116.434  557.116  116.434   0.0000   0.0000  205.282   23.115  ?   ?  0.000000 23.11533 
1 1 1   -4   -8   30 o  119.518   14.425  184.531   42.181  200.273   80.694  178.613   49.479  120.046   27.508  116.648   17.528 3.397758 32.61747 
1 1 1   -4   -8   31 o   91.270   15.919  109.928   34.964   94.148   75.721  114.204   39.417   84.856   29.352   92.548   17.701 -7.691757 34.27587 
1 1 1   -4   -8   32 o   61.487   17.200   50.657   27.444   10.700   74.035   57.022   29.549   62.288   26.678   65.050   17.713 -2.762871 32.02327 
1 1 1   -4   -8   33 o   23.974   11.109 -12.9648   15.817   0.0000   0.0000 -12.9648   15.817  ?   ?    23.974   11.109 0.000000 11.10945 
1 1 1   -4   -8   34 o  147.681   15.014  287.704   54.599  264.619  101.793  297.028   64.693  130.421   31.590  148.523   17.797 -18.10182 36.25793 
1 1 1   -4   -8   35 o   72.396   17.962   73.321   32.318 -50.7440   84.509   94.574   34.977   53.711   25.151   82.572   17.506 -28.86110 30.64378 
1 1 1   -4   -8   36 o  141.414   16.178  271.443   56.103  171.880  108.450  307.824   65.557   98.373   35.039  149.369   17.934 -50.99589 39.36195 
1 1 1   -4   -8   37 o   70.421   30.182   52.694   94.868   52.694   94.868   0.0000   0.0000   70.421   30.182  ?   ?  0.000000 30.18173 
1 1 1   -4   -8   38 o   75.440   18.057   82.383   33.564   47.199   98.155   87.042   35.718   68.524   30.022   77.229   18.716 -8.705330 35.37807 
1 1 1   -4   -8   39 o  144.907   16.638  295.914   59.113  222.432  120.635  319.133   67.813   99.612   36.748  148.384   18.717 -48.77248 41.24051 
1 1 1   -4   -8   40 o   98.401   18.839  145.099   44.605  118.919  289.638  145.735   45.144   77.282   38.430   98.431   19.055 -21.14969 42.89449 
1 1 1   -4   -7    1 o  101.283   10.836  129.975   26.982  114.088   38.197  145.798   38.119   93.791   16.932  106.742   14.690 -12.95111 22.41585 
1 1 1   -4   -7    2 o  320.728   23.575  1313.28  187.490  1313.28  187.490   0.0000   0.0000  320.728   23.575  ?   ?  0.000000 23.57459 
1 1 1   -4   -7    3 o  183.460   12.272  424.155   55.896  415.591   79.189  432.659   78.908  180.673   17.782  184.465   17.333 -3.791626 24.83246 
1 1 1   -4   -7    4 o  649.695   29.229  5414.35  474.213  5545.66  671.006  5283.33  670.271  647.549   41.718  631.084   42.784 16.46417 59.75685 
1 1 1   -4   -7    5 o  268.048   14.728  905.571   98.209  871.167  139.003  939.863  138.774  261.512   21.475  271.902   20.591 -10.39032 29.75176 
1 1 1   -4   -7    6 f  216.205   13.181  588.414   70.824  580.893  100.427  595.856   99.894  213.880   19.001  216.705   18.641 -2.825439 26.61809 
1 1 1   -4   -7    7 o  527.927   24.118  3523.51  317.959  3447.89  449.809  3599.03  449.514  517.615   35.005  529.243   34.195 -11.62756 48.93539 
1 1 1   -4   -7    8 o  537.444   35.230  3702.13  470.200   0.0000   0.0000  3702.13  470.200  ?   ?   537.444   35.230 0.000000 35.22964 
1 1 1   -4   -7    9 o  739.196   32.624  6939.75  602.209  6776.47  851.670  7103.02  851.635  722.274   47.484  740.233   46.305 -17.95905 66.32365 
1 1 1   -4   -7   10 o  713.491   31.416  6450.39  559.752  6657.61  792.331  6243.92  790.888  718.415   44.383  694.918   45.833 23.49683 63.80016 
1 1 1   -4   -7   11 o  189.199   12.443  449.880   58.459  502.799   83.601  399.244   81.777  199.548   16.937  177.391   18.745 22.15649 25.26307 
1 1 1   -4   -7   12 o  473.567   31.596  2852.71  371.507  2852.71  371.507   0.0000   0.0000  473.567   31.596  ?   ?  0.000000 31.59619 
1 1 1   -4   -7   13 o  444.240   20.873  2480.12  231.557  2473.10  327.946  2487.11  326.997  441.128   29.948  442.429   29.770 -1.301117 42.22736 
1 1 1   -4   -7   14 o  279.074   14.901  978.621  103.472  1081.75  147.752  879.369  144.950  292.687   20.342  263.433   22.242 29.25424 30.14130 
1 1 1   -4   -7   15 o  164.060   12.518  338.940   50.898  334.411   74.200  342.965   69.950  162.108   18.671  164.411   17.297 -2.302185 25.45148 
1 1 1   -4   -7   16 o  334.196   16.858  1405.99  140.238  1480.76  199.982  1333.66  196.712  341.683   23.582  323.982   24.495 17.70050 34.00188 
1 1 1   -4   -7   17 o  162.704   17.424  336.646   69.692   0.0000   0.0000  336.646   69.692  ?   ?   162.704   17.424 0.000000 17.42371 
1 1 1   -4   -7   18 o  238.555   14.053  716.981   83.344  754.115  120.649  683.087  115.268  243.584   20.012  231.727   20.119 11.85660 28.37693 
1 1 1   -4   -7   19 o  294.168   16.014  1092.99  117.192  1073.46  168.150  1111.44  163.422  289.632   23.450  295.069   22.344 -5.436951 32.39098 
1 1 1   -4   -7   20 o  562.182   26.066  4054.66  365.940  3915.03  518.919  4192.79  516.127  542.766   38.536  563.164   36.904 -20.39722 53.35706 
1 1 1   -4   -7   21 o  439.520   20.599  2460.57  226.086  2613.75  322.389  2312.33  317.144  447.870   28.981  420.255   30.426 27.61420 42.01927 
1 1 1   -4   -7   22 o  134.583   20.388  236.051   66.372  236.051   66.372   0.0000   0.0000  134.583   20.388  ?   ?  0.000000 20.38762 
1 1 1   -4   -7   23 o  124.493   12.588  197.266   38.596  207.029   61.247  190.835   49.708  125.798   20.179  121.518   16.833 4.280357 26.27800 
1 1 1   -4   -7   24 o  363.943   18.142  1688.28  164.885  1749.63  236.694  1630.44  229.823  365.732   26.087  352.887   26.268 12.84445 37.02116 
1 1 1   -4   -7   25 o  116.947   13.156  174.837   37.754  169.420   61.871  178.050   47.654  112.685   22.771  117.205   16.759 -4.520485 28.27308 
1 1 1   -4   -7   26 o  108.210   16.952  152.479   44.304   0.0000   0.0000  152.479   44.304  ?   ?   108.210   16.952 0.000000 16.95230 
1 1 1   -4   -7   27 o  123.230   13.605  194.389   41.167  182.747   70.271  200.473   50.797  116.354   24.935  124.394   16.781 -8.039490 30.05575 
1 1 1   -4   -7   28 o  273.485   15.312  953.468  104.151  1037.22  155.017  884.554  140.617  282.172   22.178  260.642   21.805 21.52975 31.10192 
1 1 1   -4   -7   29 o  114.106   14.459  167.836   40.276  150.658   74.492  174.933   47.878  104.679   27.966  115.845   17.061 -11.16586 32.75927 
1 1 1   -4   -7   30 o  128.710   26.494  226.655   82.317  226.655   82.317   0.0000   0.0000  128.710   26.494  ?   ?  0.000000 26.49400 
1 1 1   -4   -7   31 o  188.582   14.315  455.730   66.908  469.721  108.915  447.250   84.795  187.393   23.812  185.204   18.585 2.188339 30.20661 
1 1 1   -4   -7   32 o  113.592   14.861  167.964   41.143  156.798   79.974  171.984   47.980  104.945   29.363  114.144   17.382 -9.198814 34.12156 
1 1 1   -4   -7   33 o   95.754   15.942  121.545   36.779  104.784   81.174  125.874   41.257   87.550   30.384   96.874   17.707 -9.323677 35.16716 
1 1 1   -4   -7   34 o  236.450   20.966  757.262  122.513   0.0000   0.0000  757.262  122.513  ?   ?   236.450   20.966 0.000000 20.96628 
1 1 1   -4   -7   35 o  164.406   15.474  357.621   62.780  300.399  113.003  383.167   75.504  137.306   33.300  168.431   18.243 -31.12508 37.96956 
1 1 1   -4   -7   36 o   91.857   16.809  115.799   37.135   81.055   92.712  122.439   40.528   78.399   31.330   93.971   17.925 -15.57167 36.09506 
1 1 1   -4   -7   37 o   64.853   17.599   59.287   29.229   33.756   91.041   62.221   30.863   67.381   29.226   66.280   18.125 1.101471 34.39003 
1 1 1   -4   -7   38 o   66.720   29.730   25.231  100.226   25.231  100.226   0.0000   0.0000   66.720   29.730  ?   ?  0.000000 29.73024 
1 1 1   -4   -7   39 o  136.717   15.585  257.178   52.257  329.467  115.449  238.551   58.604  132.730   34.510  129.097   18.725 3.633820 39.26264 
1 1 1   -4   -7   40 o   73.973   18.610   81.399   34.348   22.207  111.984   87.546   36.087   64.944   29.905   76.547   18.974 -11.60292 35.41609 
1 1 1   -4   -6    1 o  177.797   12.056  397.896   53.212  397.939   75.337  397.853   75.170  177.064   17.258  177.051   17.220 0.1281738E-01 24.37916 
1 1 1   -4   -6    2 o  506.461   23.289  3249.16  294.544  3253.82  416.642  3244.49  416.455  502.027   33.425  501.286   33.461 0.7413635 47.29551 
1 1 1   -4   -6    3 o  517.839   34.532  3480.45  443.988  3480.45  443.988   0.0000   0.0000  517.839   34.532  ?   ?  0.000000 34.53212 
1 1 1   -4   -6    4 o  139.480   11.346  245.497   39.178  219.555   55.410  271.431   55.401  130.866   17.386  146.098   15.418 -15.23164 23.23756 
1 1 1   -4   -6    5 o  261.041   14.490  859.129   94.085  854.085  133.202  864.152  132.911  258.960   20.773  260.534   20.597 -1.574432 29.25323 
1 1 1   -4   -6    6 o  476.838   22.171  2880.91  263.996  2778.48  373.300  2983.39  373.394  463.421   32.463  480.876   31.264 -17.45590 45.06966 
1 1 1   -4   -6    7 f  417.672   19.825  2200.49  206.777  2259.86  292.814  2141.42  292.042  420.262   28.062  408.794   28.792 11.46790 40.20559 
1 1 1   -4   -6    8 o  408.958   19.556  2105.41  199.717  2024.40  282.575  2186.26  282.311  398.197   28.608  414.240   27.447 -16.04321 39.64532 
1 1 1   -4   -6    9 o  316.321   23.250  1268.01  182.368   0.0000   0.0000  1268.01  182.368  ?   ?   316.321   23.250 0.000000 23.25014 
1 1 1   -4   -6   10 o  571.764   25.760  4124.87  367.806  4160.46  520.567  4089.38  519.745  570.047   36.765  565.034   37.040 5.012634 52.18880 
1 1 1   -4   -6   11 o  440.861   20.734  2442.12  228.265  2402.83  323.207  2481.23  322.427  434.828   29.948  442.043   29.376 -7.215149 41.95045 
1 1 1   -4   -6   12 o  616.039   27.512  4789.63  423.236  4836.64  599.066  4742.78  598.027  614.505   39.244  608.356   39.581 6.149048 55.73773 
1 1 1   -4   -6   13 o  645.061   28.691  5256.52  462.163  5305.50  654.160  5207.72  653.034  642.992   40.954  636.879   41.283 6.112915 58.15091 
1 1 1   -4   -6   14 o  442.930   29.978  2493.04  329.631  2493.04  329.631   0.0000   0.0000  442.930   29.978  ?   ?  0.000000 29.97827 
1 1 1   -4   -6   15 o  450.759   21.020  2554.72  236.602  2638.96  335.651  2471.53  333.570  455.639   29.661  440.664   30.501 14.97479 42.54505 
1 1 1   -4   -6   16 o  177.876   12.525  398.094   55.281  438.320   80.485  362.169   76.060  186.049   17.530  168.837   18.335 17.21237 25.36688 
1 1 1   -4   -6   17 o  439.559   20.686  2433.54  227.064  2486.22  322.522  2381.77  319.730  441.409   29.428  431.871   29.830 9.538025 41.90258 
1 1 1   -4   -6   18 o  127.190   12.769  204.804   40.009  193.068   61.962  213.196   52.395  122.001   21.102  129.194   16.626 -7.193161 26.86481 
1 1 1   -4   -6   19 o  509.430   34.067  3362.71  430.880   0.0000   0.0000  3362.71  430.880  ?   ?   509.430   34.067 0.000000 34.06689 
1 1 1   -4   -6   20 o  810.328   55.049  9088.16  1107.34  9088.16  1107.34   0.0000   0.0000  810.328   55.049  ?   ?  0.000000 55.04924 
1 1 1   -4   -6   21 o  188.925   12.767  450.665   59.878  499.856   88.745  409.556   81.127  197.941   18.156  178.955   18.417 18.98566 25.86161 
1 1 1   -4   -6   22 o  480.989   22.667  2960.23  272.254  2974.65  387.197  2946.13  382.891  474.932   32.849  472.807   32.629 2.125793 46.30056 
1 1 1   -4   -6   23 o  171.493   19.844  379.716   83.413  379.716   83.413   0.0000   0.0000  171.493   19.844  ?   ?  0.000000 19.84426 
1 1 1   -4   -6   24 o  408.092   19.768  2127.39  201.454  2190.77  287.906  2066.58  281.983  408.411   28.406  396.433   28.678 11.97815 40.36484 
1 1 1   -4   -6   25 f  225.602   14.465  646.369   81.061  611.128  119.465  676.440  110.353  216.806   22.388  229.281   19.457 -12.47572 29.66171 
1 1 1   -4   -6   26 o  387.023   19.012  1914.91  183.748  1991.17  264.174  1843.43  255.747  389.007   27.369  374.094   27.571 14.91299 38.84859 
1 1 1   -4   -6   27 o  108.847   16.908  154.166   44.466   0.0000   0.0000  154.166   44.466  ?   ?   108.847   16.908 0.000000 16.90778 
1 1 1   -4   -6   28 o  137.286   14.161  241.133   47.850  175.887   78.517  279.681   60.352  113.411   27.913  147.309   16.701 -33.89834 32.52785 
1 1 1   -4   -6   29 o  157.593   13.410  316.514   52.272  357.021   86.890  293.539   65.438  164.936   21.617  150.570   17.744 14.36664 27.96668 
1 1 1   -4   -6   30 o   66.218   16.786   58.138   27.795   33.658   64.112   63.804   30.845   65.618   26.107   69.295   17.747 -3.677376 31.56812 
1 1 1   -4   -6   31 o  142.863   14.756  262.436   51.886  198.736   87.294  297.234   64.519  119.348   29.467  151.325   17.390 -31.97720 34.21523 
1 1 1   -4   -6   32 o   65.848   16.811   57.826   27.738  128.125   72.119   45.622   30.049   96.147   28.202   59.365   18.382 36.78253 33.66417 
1 1 1   -4   -6   33 o   38.217   15.080   11.021   21.226 -18.1599   70.453   13.935   22.261   55.685   24.861   40.237   15.568 15.44754 29.33323 
1 1 1   -4   -6   34 o  130.162   15.043  221.400   47.993  195.063   93.356  230.861   55.953  114.452   31.617  131.990   17.400 -17.53778 36.08868 
1 1 1   -4   -6   35 o  105.261   15.606  147.246   39.779  187.208   96.729  139.112   43.640  109.916   32.771  101.331   17.901 8.585533 37.34115 
1 1 1   -4   -6   36 o   76.130   17.189   79.839   31.905   60.954   88.358   82.671   34.213   74.503   30.295   77.192   18.068 -2.688034 35.27378 
1 1 1   -4   -6   37 o   57.180   17.347   44.794   26.931  -0.4618   89.147   49.339   28.251   62.063   27.819   59.736   17.687 2.327705 32.96555 
1 1 1   -4   -6   38 o   23.600   11.003 -13.7804   15.888   34.806   94.245 -15.2016   16.119   68.139   29.645   23.404   10.967 44.73503 31.60878 
1 1 1   -4   -6   39 o   60.833   28.165 -18.2243  101.323 -18.2243  101.323   0.0000   0.0000   60.833   28.165  ?   ?  0.000000 28.16453 
1 1 1   -4   -6   40 o   99.934   17.789  142.631   42.766   59.161  115.267  155.954   46.053   72.127   32.026  104.169   18.375 -32.04140 36.92315 
1 1 1   -4   -6   41 f   79.672   34.374  124.513  124.610  124.513  124.610   0.0000   0.0000   79.672   34.374  ?   ?  0.000000 34.37411 
1 1 1   -4   -5    1 o  481.583   22.234  2924.59  267.389  2940.56  378.204  2908.62  378.085  479.458   31.768  476.774   31.941 2.684174 45.04916 
1 1 1   -4   -5    2 o  275.787   14.894  957.053  102.192  929.667  144.519  984.441  144.523  270.649   21.562  278.685   20.920 -8.035553 30.04236 
1 1 1   -4   -5    3 o  537.500   24.512  3661.80  329.008  3632.93  465.331  3690.66  465.245  530.068   35.357  534.437   35.055 -4.368835 49.78930 
1 1 1   -4   -5    4 o  383.608   26.828  1883.63  255.382  1883.63  255.382   0.0000   0.0000  383.608   26.828  ?   ?  0.000000 26.82834 
1 1 1   -4   -5    5 o  357.558   25.494  1636.28  226.142  1636.28  226.142   0.0000   0.0000  357.558   25.494  ?   ?  0.000000 25.49400 
1 1 1   -4   -5    6 o  438.779   20.719  2436.74  227.019  2415.07  321.162  2458.38  320.944  432.738   29.903  436.754   29.602 -4.015869 42.07689 
1 1 1   -4   -5    7 o  183.915   12.374  426.157   56.501  391.977   80.042  460.102   79.767  175.332   18.564  190.413   16.953 -15.08099 25.13979 
1 1 1   -4   -5    8 o  558.518   25.395  3959.37  354.196  3907.49  501.027  4011.21  500.791  548.874   36.767  556.434   36.238 -7.559998 51.62379 
1 1 1   -4   -5    9 o  845.959   37.393  9197.97  789.932  9095.53  1117.20  9300.39  1117.06  826.710   54.421  836.625   53.753 -9.914490 76.49157 
1 1 1   -4   -5   10 o  159.820   16.927  324.047   66.527   0.0000   0.0000  324.047   66.527  ?   ?   159.820   16.927 0.000000 16.92689 
1 1 1   -4   -5   11 o  817.988   35.811  8520.08  731.503  8801.96  1035.30  8239.06  1033.71  822.068   50.679  794.111   52.422 27.95721 72.91405 
1 1 1   -4   -5   12 o  306.491   16.069  1180.43  122.561  1148.89  173.797  1211.64  172.862  301.289   23.281  309.586   22.514 -8.298004 32.38604 
1 1 1   -4   -5   13 o  422.191   20.045  2238.08  211.336  2216.84  299.404  2259.18  298.348  417.972   28.862  422.052   28.474 -4.080017 40.54394 
1 1 1   -4   -5   14 o  688.701   30.383  5999.44  522.529  6189.13  739.813  5810.62  738.126  693.858   42.908  671.612   44.259 22.24628 61.64376 
1 1 1   -4   -5   15 o  828.175   52.940  8949.15  1089.13  8949.15  1089.13   0.0000   0.0000  828.175   52.940  ?   ?  0.000000 52.94015 
1 1 1   -4   -5   16 o  718.350   31.826  6547.06  570.908  6271.10  807.628  6822.70  807.145  695.266   46.789  726.487   44.708 -31.22034 64.71498 
1 1 1   -4   -5   17 o  537.949   24.481  3652.06  328.868  3692.00  466.343  3612.56  463.847  536.863   34.976  530.955   35.183 5.908752 49.61014 
1 1 1   -4   -5   18 o  365.112   17.836  1675.60  162.617  1759.30  232.165  1594.98  227.847  372.090   25.133  353.999   25.955 18.09048 36.12993 
1 1 1   -4   -5   19 o  626.289   41.218  5124.77  641.025  5124.77  641.025   0.0000   0.0000  626.289   41.218  ?   ?  0.000000 41.21764 
1 1 1   -4   -5   20 o  500.172   33.560  3242.01  416.746   0.0000   0.0000  3242.01  416.746  ?   ?   500.172   33.560 0.000000 33.56025 
1 1 1   -4   -5   21 o  490.957   22.512  3064.38  275.997  3253.90  392.524  2879.06  388.152  500.734   31.553  469.889   33.295 30.84485 45.87060 
1 1 1   -4   -5   22 o  233.303   14.196  687.911   82.310  681.586  119.390  693.641  113.630  230.596   20.962  232.985   19.716 -2.389542 28.77704 
1 1 1   -4   -5   23 o  301.741   16.449  1155.24  123.474  1113.97  177.503  1193.94  171.870  293.482   24.442  304.582   22.761 -11.10013 33.39914 
1 1 1   -4   -5   24 f  240.284   21.471  744.503  127.475  744.503  127.475   0.0000   0.0000  240.284   21.471  ?   ?  0.000000 21.47075 
1 1 1   -4   -5   25 o  245.001   15.006  762.150   91.367  700.627  132.889  817.305  125.825  232.171   23.233  252.098   20.155 -19.92783 30.75709 
1 1 1   -4   -5   26 o  248.018   14.882  781.332   91.747  775.661  134.736  786.236  125.280  244.554   22.308  246.935   20.502 -2.380829 30.29825 
1 1 1   -4   -5   27 o  314.490   17.021  1261.76  133.176  1239.03  192.875  1282.46  184.111  307.717   25.325  314.002   23.654 -6.285156 34.65308 
1 1 1   -4   -5   28 o   65.075   15.990   55.896   25.799   59.521   54.621   54.855   29.269   71.099   24.910   64.563   17.649 6.536156 30.52865 
1 1 1   -4   -5   29 o  219.986   14.150  615.297   77.322  696.038  121.909  560.955  100.014  231.491   21.329  208.332   19.449 23.15855 28.86507 
1 1 1   -4   -5   30 o  286.852   16.276  1051.21  116.106  1061.07  172.310  1043.02  157.135  284.188   24.520  282.885   22.428 1.302704 33.23033 
1 1 1   -4   -5   31 o  184.334   14.485  434.076   66.140  404.802  106.612  452.393   84.331  174.038   25.269  186.977   18.296 -12.93895 31.19720 
1 1 1   -4   -5   32 f  158.710   13.902  322.417   54.540  363.027   94.631  302.217   66.741  164.902   23.658  152.401   17.876 12.50082 29.65238 
1 1 1   -4   -5   33 o  142.323   14.933  261.619   52.283  221.704   94.468  279.243   62.773  124.835   30.552  146.196   17.545 -21.36120 35.23143 
1 1 1   -4   -5   34 o   84.318   16.833   95.011   34.202   48.361   81.626  104.946   37.668   73.229   29.350   88.471   17.668 -15.24178 34.25731 
1 1 1   -4   -5   35 o  133.765   14.004  232.646   46.085  381.857   96.578  188.653   52.440  166.206   23.961  118.639   18.288 47.56766 30.14322 
1 1 1   -4   -5   36 o   75.868   16.901   78.506   31.200  102.361   88.002   75.076   33.367   85.605   31.417   73.817   18.213 11.78799 36.31429 
1 1 1   -4   -5   37 o   82.929   17.201   94.602   34.454   55.155   95.764  100.467   36.926   74.404   31.021   85.221   17.920 -10.81707 35.82462 
1 1 1   -4   -5   38 o   60.650   17.606   51.091   28.236   41.966   95.705   51.961   29.551   70.642   30.297   61.123   18.088 9.519379 35.28552 
1 1 1   -4   -5   39 f   95.131   16.880  125.413   38.632  123.837  110.000  125.634   41.260   86.884   34.314   94.527   18.139 -7.642296 38.81335 
1 1 1   -4   -5   41 o  102.706   16.654  148.622   41.251  304.635  119.610  127.560   43.948  122.881   36.397   93.055   19.535 29.82608 41.30762 
1 1 1   -4   -5   42 o   97.126   17.873  137.714   41.752  141.023  127.674  137.318   44.182   81.518   34.978   96.018   19.099 -14.49968 39.85208 
1 1 1   -4   -4    1 o  699.369   30.894  6210.27  539.546  6448.90  763.444  5972.15  762.623  705.724   43.533  678.042   45.301 27.68231 62.82758 
1 1 1   -4   -4    2 o  466.936   21.646  2746.62  252.401  2794.02  357.081  2699.28  356.818  467.899   30.732  459.687   31.270 8.211243 43.84312 
1 1 1   -4   -4    3 o  678.084   30.190  5851.42  511.202  5803.38  722.927  5899.47  722.972  667.234   43.628  672.999   43.248 -5.765137 61.43077 
1 1 1   -4   -4    4 o  194.697   12.509  477.042   60.496  459.639   85.534  494.461   85.574  190.248   18.227  197.503   17.533 -7.255814 25.29089 
1 1 1   -4   -4    5 o  300.116   15.724  1135.40  117.430  1100.81  165.914  1170.12  166.229  293.957   22.780  303.294   22.100 -9.336853 31.73844 
1 1 1   -4   -4    6 o  261.464   20.769  870.144  134.487  870.144  134.487   0.0000   0.0000  261.464   20.769  ?   ?  0.000000 20.76880 
1 1 1   -4   -4    7 o  232.032   13.627  678.446   78.612  639.570  111.202  717.282  111.145  224.042   20.090  237.626   18.886 -13.58463 27.57311 
1 1 1   -4   -4    8 o  408.031   19.547  2101.97  199.169  2078.58  281.803  2125.32  281.534  402.439   28.220  407.096   27.861 -4.657013 39.65597 
1 1 1   -4   -4    9 o  565.680   25.633  4060.33  362.099  4136.36  512.427  3984.51  511.744  565.275   36.496  554.392   37.180 10.88336 52.09908 
1 1 1   -4   -4   10 o  214.106   13.216  576.537   70.314  539.228   99.678  613.489   99.201  206.115   19.602  220.197   18.204 -14.08238 26.75126 
1 1 1   -4   -4   11 o  692.686   44.501  6211.12  765.686   0.0000   0.0000  6211.12  765.686  ?   ?   692.686   44.501 0.000000 44.50082 
1 1 1   -4   -4   12 o  391.941   18.956  1928.35  185.529  1841.10  262.646  2015.26  262.111  380.823   27.811  398.818   26.469 -17.99426 38.39298 
1 1 1   -4   -4   13 o  869.019   38.043  9621.03  825.582  9469.62  1167.70  9772.37  1167.40  851.264   55.229  865.456   54.291 -14.19214 77.44528 
1 1 1   -4   -4   14 o  585.956   26.352  4327.98  385.590  4282.33  545.697  4373.49  544.918  578.751   37.968  585.070   37.494 -6.319031 53.36119 
1 1 1   -4   -4   15 o  287.996   15.503  1042.08  111.082  1041.10  157.969  1043.04  156.233  286.924   22.221  287.236   21.947 -0.3121338 31.23202 
1 1 1   -4   -4   16 o  326.123   24.026  1346.37  194.287  1346.37  194.287   0.0000   0.0000  326.123   24.026  ?   ?  0.000000 24.02594 
1 1 1   -4   -4   17 o  289.743   15.490  1055.25  111.672  1085.72  159.343  1025.83  156.549  292.940   21.942  284.658   22.198 8.281525 31.21237 
1 1 1   -4   -4   18 o  306.635   22.903  1191.75  174.104   0.0000   0.0000  1191.75  174.104  ?   ?   306.635   22.903 0.000000 22.90252 
1 1 1   -4   -4   19 o  529.916   24.129  3550.88  319.302  3667.64  452.978  3435.56  450.157  534.204   34.135  516.532   35.108 17.67224 48.96646 
1 1 1   -4   -4   20 o  215.714   13.044  585.689   69.937  681.402  102.000  500.770   96.076  231.997   17.741  198.325   19.658 33.67146 26.47986 
1 1 1   -4   -4   21 o  412.966   28.593  2193.36  293.047   0.0000   0.0000  2193.36  293.047  ?   ?   412.966   28.593 0.000000 28.59262 
1 1 1   -4   -4   22 o  251.500   14.569  798.643   91.109  813.406  131.687  785.087  126.186  252.305   21.094  247.986   20.562 4.318802 29.45799 
1 1 1   -4   -4   23 o  276.395   15.697  967.221  107.897  910.629  155.308  1020.02  150.010  265.831   23.643  282.206   21.447 -16.37561 31.92086 
1 1 1   -4   -4   24 f  278.022   15.944  980.547  110.235  884.110  158.465  1070.97  153.447  261.103   24.593  288.813   21.429 -27.70984 32.61950 
1 1 1   -4   -4   25 o  439.263   31.247  2549.72  340.525  2549.72  340.525   0.0000   0.0000  439.263   31.247  ?   ?  0.000000 31.24748 
1 1 1   -4   -4   26 o  467.968   22.453  2815.64  262.385  2782.64  373.990  2847.63  368.215  456.666   33.018  462.835   32.056 -6.169006 46.01900 
1 1 1   -4   -4   27 o  182.952   14.074  425.465   63.805  350.747   96.235  484.073   85.232  163.030   24.388  194.240   17.769 -31.21004 30.17402 
1 1 1   -4   -4   28 o  269.593   15.437  924.347  103.491  947.195  152.377  904.782  141.002  270.052   22.809  264.451   21.539 5.601410 31.37124 
1 1 1   -4   -4   29 o   59.514   16.310   46.445   24.960   43.091   55.299   47.303   27.971   65.748   24.756   60.302   17.528 5.445866 30.33298 
1 1 1   -4   -4   30 o  179.258   18.132  414.464   80.049   0.0000   0.0000  414.464   80.049  ?   ?   179.258   18.132 0.000000 18.13177 
1 1 1   -4   -4   31 o  243.253   14.683  753.513   88.772  852.139  137.918  683.750  115.994  255.837   21.795  229.570   20.448 26.26683 29.88550 
1 1 1   -4   -4   32 o   69.203   17.352   63.641   29.931   7.6651   69.645   76.321   33.148   61.313   26.058   75.721   17.826 -14.40746 31.57180 
1 1 1   -4   -4   33 o  112.806   15.153  165.048   41.606  153.071   85.018  168.819   47.709  104.728   30.593  113.464   17.393 -8.735809 35.19108 
1 1 1   -4   -4   34 o  188.884   25.775  485.648  118.403  485.648  118.403   0.0000   0.0000  188.884   25.775  ?   ?  0.000000 25.77539 
1 1 1   -4   -4   35 o  107.123   15.850  151.068   41.120  111.353   88.445  162.020   46.445   90.454   31.697  110.454   17.416 -20.00017 36.16668 
1 1 1   -4   -4   36 o  135.736   15.127  241.452   50.402  239.387  102.034  242.119   57.969  125.581   32.341  134.815   17.642 -9.233536 36.83967 
1 1 1   -4   -4   37 o   60.727   17.369   50.223   27.667   89.097   89.529   46.119   29.091   81.996   31.350   58.582   18.078 23.41460 36.18917 
1 1 1   -4   -4   38 o  107.223   17.930  157.775   46.312   0.0000   0.0000  157.775   46.312  ?   ?   107.223   17.930 0.000000 17.92957 
1 1 1   -4   -4   39 o   52.580   17.229   36.740   26.099   22.258  101.773   37.760   27.002   68.417   30.249   53.277   17.528 15.13955 34.96071 
1 1 1   -4   -4   40 o   27.127   12.251  -7.8941   17.658 -88.1363  107.776  -5.6807   17.900   55.647   26.720   28.113   12.543 27.53387 29.51796 
1 1 1   -4   -4   41 o  100.890   38.106  212.193  131.264  212.193  131.264   0.0000   0.0000  100.890   38.106  ?   ?  0.000000 38.10634 
1 1 1   -4   -4   42 o   47.012   17.226   27.624   26.442   85.941  119.891   24.642   27.109   75.542   33.136   45.815   17.314 29.72686 37.38697 
1 1 1   -4   -3    1 o  164.118   9.2857  337.854   37.900  387.357   65.958  313.454   46.308  175.146   15.232  157.822   11.836 17.32484 19.29028 
1 1 1   -4   -3    2 o  431.043   20.260  2336.25  218.076  2385.94  308.530  2286.65  308.283  433.172   28.685  423.858   29.306 9.313477 41.00783 
1 1 1   -4   -3    3 o  914.273   40.221 10750.42  918.294 10879.00  1298.89 10621.93  1298.44  904.281   57.822  892.795   58.564 11.48621 82.29958 
1 1 1   -4   -3    4 o  1096.49   48.739 15754.62  1334.54 15719.93  1887.31 15789.31  1887.33  1065.33   71.356  1067.94   71.178 -2.617310 100.7865 
1 1 1   -4   -3    5 f  472.104   21.923  2815.48  258.461  2825.21  365.603  2805.76  365.435  469.106   31.391  467.444   31.490 1.661835 44.46311 
1 1 1   -4   -3    6 o  600.030   26.790  4586.48  401.412  4202.65  566.926  4972.37  568.442  566.045   40.372  618.252   36.989 -52.20660 54.75457 
1 1 1   -4   -3    7 o  115.344   16.086  170.595   45.073  170.595   45.073   0.0000   0.0000  115.344   16.086  ?   ?  0.000000 16.08612 
1 1 1   -4   -3    8 f  379.536   18.492  1817.60  175.262  1814.84  248.006  1820.35  247.711  376.287   26.564  376.890   26.488 -0.6024475 37.51332 
1 1 1   -4   -3    9 o  200.301   12.794  505.257   63.659  482.307   90.151  528.082   89.904  194.706   18.774  203.992   17.828 -9.285446 25.88996 
1 1 1   -4   -3   10 o  468.381   21.787  2769.16  254.828  2800.32  360.628  2738.09  360.136  467.441   31.072  462.069   31.397 5.371796 44.17280 
1 1 1   -4   -3   11 o  213.207   13.204  571.574   69.956  535.518   99.141  607.329   98.727  205.462   19.559  219.134   18.206 -13.67252 26.72131 
1 1 1   -4   -3   12 o  339.816   24.422  1462.70  205.861   0.0000   0.0000  1462.70  205.861  ?   ?   339.816   24.422 0.000000 24.42228 
1 1 1   -4   -3   13 o  526.365   23.944  3487.85  314.722  3547.51  445.616  3428.47  444.555  527.625   34.002  518.497   34.532 9.127380 48.46210 
1 1 1   -4   -3   14 o  880.947   38.529  9887.39  847.590  9884.07  1199.06  9890.71  1198.28  869.992   55.481  870.323   55.424 -0.3316650 78.42153 
1 1 1   -4   -3   15 o  561.155   25.392  3966.30  355.821  3843.47  503.495  4088.84  502.918  548.559   36.971  566.278   35.748 -17.71869 51.42741 
1 1 1   -4   -3   16 o  703.607   31.130  6265.39  546.960  6226.11  774.066  6304.56  772.972  695.091   44.834  699.645   44.473 -4.554871 63.15012 
1 1 1   -4   -3   18 o  458.270   30.954  2675.47  352.155  2675.47  352.155   0.0000   0.0000  458.270   30.954  ?   ?  0.000000 30.95396 
1 1 1   -4   -3   19 f  387.933   18.576  1891.56  179.954  2011.71  256.310  1774.74  252.716  398.008   25.930  373.383   27.293 24.62433 37.64645 
1 1 1   -4   -3   20 o  195.241   13.172  480.000   63.843  483.999   93.023  476.439   87.780  195.112   19.347  193.742   18.363 1.370605 26.67412 
1 1 1   -4   -3   21 f  409.103   19.331  2111.20  197.482  2255.77  281.450  1971.00  277.163  420.048   26.975  391.986   28.510 28.06210 39.24856 
1 1 1   -4   -3   22 o  597.549   39.722  4707.31  589.348   0.0000   0.0000  4707.31  589.348  ?   ?   597.549   39.722 0.000000 39.72178 
1 1 1   -4   -3   23 o  215.444   12.997  585.478   69.595  694.290  102.757  493.273   94.592  233.717   17.739  196.363   19.550 37.35481 26.39859 
1 1 1   -4   -3   24 o  624.573   28.674  5054.23  447.225  5046.66  634.453  5061.71  630.508  610.608   41.862  611.917   41.507 -1.309265 58.95124 
1 1 1   -4   -3   25 o  258.907   15.303  849.904   98.502  798.505  142.848  896.498  136.008  248.442   23.297  264.274   20.777 -15.83163 31.21567 
1 1 1   -4   -3   26 o  402.723   18.366  2063.05  184.699  2443.63  265.530  1706.30  257.081  434.529   24.571  360.456   28.801 74.07254 37.85835 
1 1 1   -4   -3   27 o  105.757   13.283  143.246   34.305  170.887   58.494  128.755   42.354  113.739   21.379   99.210   17.747 14.52951 27.78559 
1 1 1   -4   -3   28 o  124.815   12.961  198.583   39.810  242.947   67.551  174.975   49.276  136.345   20.472  116.052   17.552 20.29274 26.96605 
1 1 1   -4   -3   29 o  160.919   12.883  328.787   51.336  402.734   83.811  284.384   64.945  176.516   19.330  148.399   17.886 28.11754 26.33490 
1 1 1   -4   -3   30 o  133.742   13.934  228.596   45.853  217.881   79.343  233.969   56.185  127.199   25.860  134.557   17.108 -7.358253 31.00665 
1 1 1   -4   -3   31 o  107.676   17.344  151.342   45.052   0.0000   0.0000  151.342   45.052  ?   ?   107.676   17.344 0.000000 17.34406 
1 1 1   -4   -3   32 o  235.302   14.996  705.917   87.659  743.244  136.868  679.958  114.140  238.072   23.322  229.017   20.164 9.054794 30.82975 
1 1 1   -4   -3   33 o  158.403   13.928  320.810   54.535  386.693   97.931  291.195   65.658  170.583   23.624  149.697   17.920 20.88582 29.65175 
1 1 1   -4   -3   34 o   99.205   15.712  128.736   37.627  129.100   83.336  128.643   42.171   96.982   30.701   98.585   17.784 -1.603569 35.47957 
1 1 1   -4   -3   35 o   85.280   30.264   93.610   80.833   93.610   80.833   0.0000   0.0000   85.280   30.264  ?   ?  0.000000 30.26367 
1 1 1   -4   -3   36 o   56.394   17.108   41.863   26.194  126.753   85.409   33.050   27.520   94.333   31.180   51.927   17.705 42.40614 35.85609 
1 1 1   -4   -3   37 o  167.807   14.878  367.931   61.700  414.545  116.906  349.933   72.641  168.818   28.762  161.816   18.298 7.001404 34.08938 
1 1 1   -4   -3   38 o  218.311   16.006  630.421   86.648  636.432  147.933  627.281  106.906  206.396   29.545  214.269   20.219 -7.872742 35.80093 
1 1 1   -4   -3   39 o   56.072   17.709   42.414   27.740   0.0000   0.0000   42.414   27.740  ?   ?    56.072   17.709 0.000000 17.70885 
1 1 1   -4   -3   40 o   68.246   30.598   13.505  107.924   13.505  107.924   0.0000   0.0000   68.246   30.598  ?   ?  0.000000 30.59802 
1 1 1   -4   -3   41 f  121.400   16.253  201.917   48.037  264.569  127.808  191.610   51.837  116.237   38.129  116.837   18.373 -0.6004715 42.32470 
1 1 1   -4   -3   42 o   75.367   33.723   64.506  130.398   64.506  130.398   0.0000   0.0000   75.367   33.723  ?   ?  0.000000 33.72296 
1 1 1   -4   -3   43 o   50.323   18.250   33.246   29.570 -13.4050  135.329   35.585   30.303   65.078   30.883   51.551   18.505 13.52746 36.00251 
1 1 1   -4   -2    1 o  793.962   34.651  8017.40  687.012  7558.39  970.822  8477.85  972.343  761.096   51.381  808.166   48.403 -47.06915 70.58908 
1 1 1   -4   -2    2 o  145.655   7.0364  265.105   25.593  257.464   36.166  272.771   36.223  143.118   10.186  147.357   9.9012 -4.239426 14.20523 
1 1 1   -4   -2    3 o  783.761   26.690  7763.62  522.385  8650.83  906.280  7322.19  639.266  817.469   44.564  758.414   33.754 59.05597 55.90406 
1 1 1   -4   -2    4 o  693.070   30.753  6104.04  532.242  6098.33  752.713  6109.75  752.695  685.128   44.232  685.798   44.187 -0.6698608 62.52108 
1 1 1   -4   -2    5 o  189.191   12.361  450.262   58.079  458.288   82.243  442.278   82.029  190.172   17.515  186.746   17.806 3.426544 24.97639 
1 1 1   -4   -2    6 f   97.318   10.870  120.068   25.964  119.592   36.845  120.538   36.595   96.320   15.871   96.742   15.685 -0.4216385 22.31409 
1 1 1   -4   -2    7 o  881.500   59.228 10723.39  1296.19 10723.39  1296.19   0.0000   0.0000  881.500   59.228  ?   ?  0.000000 59.22779 
1 1 1   -4   -2    8 o  289.336   22.086  1066.95  158.373  1066.95  158.373   0.0000   0.0000  289.336   22.086  ?   ?  0.000000 22.08623 
1 1 1   -4   -2    9 o  504.040   23.263  3223.38  292.803  3188.23  414.127  3258.51  414.045  495.986   33.635  501.658   33.240 -5.672668 47.28816 
1 1 1   -4   -2   10 o  286.049   15.344  1030.82  109.202  990.411  154.551  1071.11  154.320  278.963   22.374  290.393   21.432 -11.42984 30.98277 
1 1 1   -4   -2   11 o  452.946   21.207  2585.85  239.874  2520.88  339.329  2650.75  339.135  443.918   30.801  455.541   29.980 -11.62311 42.98232 
1 1 1   -4   -2   12 o  504.992   23.180  3213.37  292.314  3181.46  413.612  3245.22  413.176  498.995   33.386  504.122   33.003 -5.127472 46.94454 
1 1 1   -4   -2   13 o  286.559   21.887  1038.55  155.436   0.0000   0.0000  1038.55  155.436  ?   ?   286.559   21.887 0.000000 21.88690 
1 1 1   -4   -2   14 o  1311.37   57.737 22461.94  1890.74 22882.24  2674.95 22042.28  2672.87  1291.11   83.412  1264.77   85.124 26.33752 119.1791 
1 1 1   -4   -2   15 o  833.509   36.513  8829.63  759.985  8684.89  1074.98  8974.25  1074.58  817.252   52.959  831.378   52.021 -14.12567 74.23505 
1 1 1   -4   -2   16 o  1085.43   47.445 15158.83  1285.99 15128.74  1819.12 15188.90  1818.22  1065.39   68.742  1067.70   68.557 -2.302979 97.08502 
1 1 1   -4   -2   17 o  465.584   21.586  2724.41  250.964  2819.00  355.880  2630.83  353.960  471.139   30.411  454.834   31.355 16.30524 43.68039 
1 1 1   -4   -2   18 f  178.448   18.627  403.991   81.783  403.991   81.783   0.0000   0.0000  178.448   18.627  ?   ?  0.000000 18.62728 
1 1 1   -4   -2   19 o  447.249   21.075  2516.83  235.381  2502.11  334.001  2531.35  331.769  443.132   30.366  445.840   29.973 -2.708069 42.66752 
1 1 1   -4   -2   20 o  214.633   13.823  579.813   73.694  535.913  106.375  620.327  102.190  205.196   21.058  221.335   18.663 -16.13965 28.13798 
1 1 1   -4   -2   21 o  498.269   22.879  3139.59  284.671  3262.76  404.298  3018.48  400.895  503.845   32.303  484.078   33.368 19.76639 46.44253 
1 1 1   -4   -2   22 o  443.314   21.056  2485.70  233.101  2481.66  331.438  2489.65  327.899  438.942   30.425  439.822   30.034 -0.8800659 42.75208 
1 1 1   -4   -2   23 f  234.976   19.897  703.748  115.652   0.0000   0.0000  703.748  115.652  ?   ?   234.976   19.897 0.000000 19.89661 
1 1 1   -4   -2   24 o  350.407   17.735  1556.90  154.678  1593.23  221.563  1522.36  216.036  351.697   25.399  343.768   25.344 7.928436 35.88077 
1 1 1   -4   -2   25 o  487.862   22.768  3045.07  277.376  3140.52  394.930  2952.14  389.662  488.427   32.566  473.022   33.198 15.40552 46.50464 
1 1 1   -4   -2   26 o  117.142   13.671  175.288   39.238  130.334   62.956  203.842   50.175   98.671   25.400  125.885   16.347 -27.21346 30.20561 
1 1 1   -4   -2   27 o  156.174   13.346  309.748   51.549  290.376   79.834  323.600   67.509  148.987   22.130  158.769   17.308 -9.781738 28.09465 
1 1 1   -4   -2   28 o  340.279   26.213  1512.08  221.027  1512.08  221.027   0.0000   0.0000  340.279   26.213  ?   ?  0.000000 26.21298 
1 1 1   -4   -2   29 o   75.649   16.298   75.325   29.880   16.283   57.349   97.325   35.007   58.806   24.215   86.109   16.883 -27.30258 29.51978 
1 1 1   -4   -2   30 o   74.546   15.938   73.117   28.771   74.816   59.824   72.606   32.815   77.681   26.106   74.051   17.936 3.630547 31.67347 
1 1 1   -4   -2   31 o  178.174   14.288  404.291   63.038  375.821  101.378  422.239   80.492  168.454   24.846  181.084   18.040 -12.63039 30.70430 
1 1 1   -4   -2   32 o  313.550   23.915  1284.31  185.838   0.0000   0.0000  1284.31  185.838  ?   ?   313.550   23.915 0.000000 23.91465 
1 1 1   -4   -2   33 o  129.102   14.445  213.996   45.770  217.125   85.557  212.742   54.174  125.869   27.948  127.936   17.409 -2.066437 32.92668 
1 1 1   -4   -2   34 o  238.856   15.991  731.574   94.832  672.136  148.466  772.537  123.251  223.490   27.161  243.486   20.460 -19.99594 34.00467 
1 1 1   -4   -2   35 o  229.422   15.136  675.802   86.226  742.845  140.484  635.279  109.218  235.714   24.211  220.120   20.091 15.59421 31.46095 
1 1 1   -4   -2   36 o   52.467   24.215 -46.5875   74.038 -46.5875   74.038   0.0000   0.0000   52.467   24.215  ?   ?  0.000000 24.21525 
1 1 1   -4   -2   37 o  229.046   16.199  684.795   92.054  641.619  150.551  710.577  116.335  211.810   29.243  230.446   20.428 -18.63551 35.67153 
1 1 1   -4   -2   38 o  106.649   16.080  151.736   41.494  159.011  100.668  150.247   45.543  101.419   33.866  105.315   17.962 -3.896294 38.33416 
1 1 1   -4   -2   39 o   72.966   18.197   73.995   33.044   0.0000   0.0000   73.995   33.044  ?   ?    72.966   18.197 0.000000 18.19677 
1 1 1   -4   -2   40 f  101.346   18.298  142.381   44.604   0.0000   0.0000  142.381   44.604  ?   ?   101.346   18.298 0.000000 18.29774 
1 1 1   -4   -2   41 o   93.490   17.382  121.423   39.088  118.450  122.421  121.760   41.246   87.096   35.565   93.087   18.396 -5.990822 40.04087 
1 1 1   -4   -2   42 o   97.486   17.212  132.886   40.369  206.603  132.917  125.395   42.370  101.342   38.329   93.730   18.757 7.612518 42.67255 
1 1 1   -4   -2   43 o   78.243   18.303   88.908   35.126  155.804  144.036   84.678   36.219   88.030   37.444   75.884   19.121 12.14616 42.04413 
1 1 1   -4   -1    1 o  562.823   25.348  3993.72  356.255  3935.85  503.705  4051.64  503.936  554.716   36.568  563.046   36.030 -8.329285 51.33577 
1 1 1   -4   -1    2 o  548.847   24.738  3797.06  339.048  3976.89  479.739  3617.61  479.235  558.173   34.588  531.671   36.313 26.50165 50.14956 
1 1 1   -4   -1    3 o  558.580   17.733  3915.92  247.347  3889.08  349.764  3942.77  349.840  555.199   25.228  559.058   25.059 -3.858337 35.55812 
1 1 1   -4   -1    4 o  321.842   10.922  1296.03   87.780  1293.73  124.151  1298.31  124.128  321.220   15.477  321.790   15.447 -0.5710144 21.86685 
1 1 1   -4   -1    5 o  377.703   14.700  1788.75  138.653  1938.18  240.498  1714.35  169.693  390.901   24.765  369.325   18.399 21.57532 30.85225 
1 1 1   -4   -1    6 o  548.483   24.923  3809.55  341.356  3780.52  482.735  3838.59  482.766  541.242   35.920  545.538   35.633 -4.296570 50.59640 
1 1 1   -4   -1    7 o  320.055   16.420  1291.49  130.791  1296.28  185.015  1286.71  184.917  319.075   23.383  317.867   23.462 1.207947 33.12425 
1 1 1   -4   -1    8 o  600.857   39.700  4737.94  592.323  4737.94  592.323   0.0000   0.0000  600.857   39.700  ?   ?  0.000000 39.70011 
1 1 1   -4   -1    9 o  327.713   23.987  1371.49  194.937  1371.49  194.937   0.0000   0.0000  327.713   23.987  ?   ?  0.000000 23.98712 
1 1 1   -4   -1   10 o  172.490   12.131  374.856   51.922  364.431   73.583  385.194   73.276  169.203   17.676  174.113   17.073 -4.910248 24.57455 
1 1 1   -4   -1   11 o  623.268   28.005  4939.50  435.880  4903.78  616.543  4975.19  616.312  613.853   40.447  618.526   40.118 -4.673035 56.96888 
1 1 1   -4   -1   12 o  545.956   24.801  3764.65  338.121  3756.23  478.339  3773.06  478.013  540.995   35.606  542.257   35.497 -1.261230 50.27736 
1 1 1   -4   -1   13 o  217.255   13.343  593.199   72.038  570.039  102.202  616.067  101.555  212.152   19.510  220.756   18.595 -8.603485 26.95208 
1 1 1   -4   -1   14 o  383.836   26.681  1866.79  254.151   0.0000   0.0000  1866.79  254.151  ?   ?   383.836   26.681 0.000000 26.68102 
1 1 1   -4   -1   15 o  632.036   28.135  5040.74  444.060  5122.35  628.540  4959.42  627.452  632.570   39.996  622.153   40.609 10.41705 56.99784 
1 1 1   -4   -1   16 o  441.782   29.771  2476.27  326.518   0.0000   0.0000  2476.27  326.518  ?   ?   441.782   29.771 0.000000 29.77064 
1 1 1   -4   -1   17 o  495.167   32.832  3119.27  403.676  3119.27  403.676   0.0000   0.0000  495.167   32.832  ?   ?  0.000000 32.83227 
1 1 1   -4   -1   18 o  622.719   27.824  4895.96  432.677  4926.05  612.760  4866.03  611.040  619.870   39.796  616.012   39.937 3.858215 56.37996 
1 1 1   -4   -1   19 o  414.751   28.596  2185.75  294.365  2185.75  294.365   0.0000   0.0000  414.751   28.596  ?   ?  0.000000 28.59627 
1 1 1   -4   -1   20 f  684.600   30.225  5950.51  516.724  6224.36  732.224  5678.84  729.300  693.424   42.491  661.140   44.432 32.28455 61.47866 
1 1 1   -4   -1   21 o  203.795   13.210  522.721   66.866  556.631   97.468  492.573   91.902  209.499   18.832  196.962   18.918 12.53786 26.69303 
1 1 1   -4   -1   22 o  868.869   38.782  9798.66  841.457  9754.36  1191.08  9842.81  1188.92  847.478   56.607  851.801   56.210 -4.322632 79.77387 
1 1 1   -4   -1   23 o  187.701   13.257  444.498   61.739  427.332   90.517  459.431   84.424  182.768   20.169  190.031   18.005 -7.263229 27.03646 
1 1 1   -4   -1   24 o  472.863   32.216  2912.39  378.150   0.0000   0.0000  2912.39  378.150  ?   ?   472.863   32.216 0.000000 32.21612 
1 1 1   -4   -1   25 o  388.237   18.803  1911.10  182.293  2013.44  260.801  1813.34  254.904  394.681   26.617  374.050   27.482 20.63104 38.25847 
1 1 1   -4   -1   26 o  281.878   16.183  1008.03  113.436  905.430  163.497  1103.26  157.516  264.150   25.087  293.140   21.671 -28.98990 33.15141 
1 1 1   -4   -1   27 o  450.623   21.190  2596.00  238.445  2737.26  340.972  2460.81  333.573  456.506   30.079  431.995   31.130 24.51108 43.28782 
1 1 1   -4   -1   28 o  139.090   13.159  246.023   45.163  250.456   72.103  243.161   57.935  138.311   21.581  137.378   17.270 0.9330444 27.63989 
1 1 1   -4   -1   29 o  126.974   23.218  213.607   70.907  213.607   70.907   0.0000   0.0000  126.974   23.218  ?   ?  0.000000 23.21816 
1 1 1   -4   -1   30 o  257.930   15.307  845.406   98.150  858.273  146.196  834.849  132.433  257.117   23.013  254.355   21.039 2.762589 31.18050 
1 1 1   -4   -1   31 o   73.303   16.213   70.815   28.891   88.467   60.973   65.704   32.808   82.726   26.268   70.493   18.430 12.23299 32.08865 
1 1 1   -4   -1   32 o  136.004   14.050  236.429   47.029  243.236   83.014  233.212   57.070  134.624   25.629  134.238   17.437 0.3860626 30.99847 
1 1 1   -4   -1   33 o  272.494   21.928  965.024  147.949   0.0000   0.0000  965.024  147.949  ?   ?   272.494   21.928 0.000000 21.92790 
1 1 1   -4   -1   34 o  323.828   17.427  1345.09  140.404  1406.98  209.611  1294.73  189.094  326.044   25.960  313.782   24.322 12.26236 35.57354 
1 1 1   -4   -1   35 o  130.877   15.387  221.401   49.329  167.964   97.260  239.908   57.238  109.312   32.922  135.729   17.279 -26.41709 37.18087 
1 1 1   -4   -1   36 o   89.733   16.513  106.625   35.639   80.672   84.058  112.312   39.351   82.487   30.627   91.778   17.812 -9.290367 35.42971 
1 1 1   -4   -1   37 o  154.566   30.272  343.720  112.665  343.720  112.665   0.0000   0.0000  154.566   30.272  ?   ?  0.000000 30.27228 
1 1 1   -4   -1   38 o   72.416   17.169   71.262   30.576  141.319   95.102   63.185   32.290   97.766   32.915   68.052   18.510 29.71400 37.76276 
1 1 1   -4   -1   39 f  176.002   17.077  412.530   74.111  227.804  136.095  490.401   88.362  115.654   39.373  190.803   18.789 -75.14884 43.62595 
1 1 1   -4   -1   40 o  120.526   17.028  196.580   49.824   45.639  115.486  231.101   55.229   76.333   33.012  130.638   17.359 -54.30534 37.29822 
1 1 1   -4   -1   41 o  107.111   18.008  158.508   46.458   0.0000   0.0000  158.508   46.458  ?   ?   107.111   18.008 0.000000 18.00814 
1 1 1   -4   -1   42 f   56.058   17.731   43.122   27.803   4.5562  126.239   45.088   28.502   70.069   32.074   57.163   17.936 12.90580 36.74852 
1 1 1   -4   -1   43 o  108.395   16.991  163.783   44.481  247.345  145.861  155.215   46.706  106.604   40.192  104.438   18.590 2.166084 44.28317 
1 1 1   -4   -1   44 o   76.464   18.372   85.502   34.643  181.985  155.576   80.468   35.536   90.247   38.664   73.735   19.134 16.51237 43.13943 
1 1 1   -4    0    1 o  472.005   21.726  2801.66  256.078  2951.31  362.376  2652.38  361.921  481.929   30.265  456.308   31.964 25.62164 44.01851 
1 1 1   -4    0    2 o  511.874   23.356  3299.06  298.540  3287.76  422.164  3310.37  422.235  507.718   33.485  509.506   33.370 -1.788269 47.27404 
1 1 1   -4    0    3 o  143.342   7.6448  257.519   27.266  247.309   38.535  267.754   38.584  140.162   11.101  145.918   10.663 -5.756332 15.39199 
1 1 1   -4    0    4 o  820.442   24.955  8493.90  511.284  8535.43  723.119  8452.38  723.010  818.105   35.396  814.032   35.567 4.072937 50.17862 
1 1 1   -4    0    5 o  555.873   17.674  3880.59  245.331  3861.11  346.916  3900.09  346.985  552.839   25.129  555.654   25.007 -2.814880 35.45131 
1 1 1   -4    0    6 o  455.498   17.003  2606.44  193.398  2739.01  335.269  2540.32  236.760  463.355   29.123  448.943   21.119 14.41278 35.97467 
1 1 1   -4    0    7 o  858.218   30.686  9412.64  657.649  9068.40  1138.64  9584.96  805.609  819.284   55.990  861.202   37.460 -41.91718 67.36563 
1 1 1   -4    0    8 o  247.394   14.066  770.979   86.540  766.224  122.402  775.732  122.371  245.498   20.143  247.055   20.007 -1.556702 28.39072 
1 1 1   -4    0    9 o  277.364   21.519  979.748  147.879  979.748  147.879   0.0000   0.0000  277.364   21.519  ?   ?  0.000000 21.51881 
1 1 1   -4    0   10 o  431.891   20.426  2357.46  220.302  2272.56  311.427  2442.50  311.681  420.191   29.874  436.149   28.779 -15.95868 41.48125 
1 1 1   -4    0   11 o  577.581   26.169  4238.21  377.443  4195.16  533.823  4281.25  533.746  568.222   37.837  574.287   37.423 -6.064819 53.21756 
1 1 1   -4    0   12 o  583.085   26.314  4305.43  383.155  4248.45  541.923  4362.38  541.802  573.706   38.042  581.643   37.502 -7.936951 53.41927 
1 1 1   -4    0   13 o  346.166   17.288  1503.66  149.443  1485.05  211.543  1522.20  211.147  342.226   24.925  346.579   24.556 -4.353088 34.98891 
1 1 1   -4    0   14 o  1112.95   48.761 16003.86  1355.18 15619.16  1916.20 16388.82  1916.83  1076.86   71.667  1105.21   69.811 -28.34521 100.0487 
1 1 1   -4    0   15 o  378.560   26.411  1814.70  248.111   0.0000   0.0000  1814.70  248.111  ?   ?   378.560   26.411 0.000000 26.41134 
1 1 1   -4    0   16 f  474.534   21.800  2829.12  258.326  3007.39  366.138  2652.41  364.524  486.959   30.259  456.732   32.166 30.22702 44.16177 
1 1 1   -4    0   17 f  898.409   39.229 10282.91  880.098 10408.55  1245.30 10157.53  1244.00  893.080   56.124  881.748   56.799 11.33197 79.84983 
1 1 1   -4    0   18 o  555.738   25.127  3889.85  348.703  3955.13  493.829  3824.95  492.455  556.854   35.701  547.404   36.230 9.450378 50.86433 
1 1 1   -4    0   19 o  259.737   14.681  847.732   94.835  859.208  135.596  836.743  132.686  260.635   21.012  257.210   20.837 3.425415 29.59198 
1 1 1   -4    0   20 o  352.266   25.500  1574.35  222.795  1574.35  222.795   0.0000   0.0000  352.266   25.500  ?   ?  0.000000 25.49951 
1 1 1   -4    0   21 o  484.345   22.534  2958.84  272.552  2931.68  386.500  2985.71  384.402  478.480   32.540  483.069   32.048 -4.589355 45.67210 
1 1 1   -4    0   22 o  381.639   18.912  1834.04  180.235  1743.55  256.242  1922.65  253.562  369.254   27.997  388.377   26.299 -19.12253 38.41248 
1 1 1   -4    0   23 o  458.335   21.052  2656.06  240.955  2882.21  343.124  2436.02  338.449  473.928   29.134  434.606   31.396 39.32214 42.83118 
1 1 1   -4    0   24 o  557.998   25.479  3973.75  355.028  4070.29  504.056  3878.70  500.138  557.459   36.409  543.676   37.059 13.78271 51.95184 
1 1 1   -4    0   25 o  182.356   18.073  424.601   81.214   0.0000   0.0000  424.601   81.214  ?   ?   182.356   18.073 0.000000 18.07250 
1 1 1   -4    0   26 o  644.174   29.564  5389.50  475.578  5378.16  674.862  5400.68  670.301  628.699   43.249  630.519   42.826 -1.820618 60.86428 
1 1 1   -4    0   27 o  179.351   13.764  407.793   61.177  345.695   91.333  458.327   82.391  162.720   23.128  189.329   17.629 -26.60907 29.08067 
1 1 1   -4    0   28 o  209.766   13.600  557.139   70.858  607.178  106.283  517.102   95.069  217.393   19.795  200.656   19.208 16.73650 27.58205 
1 1 1   -4    0   29 o  147.181   13.501  275.488   49.068  258.458   78.017  286.634   63.114  140.089   23.107  149.319   17.243 -9.229645 28.83192 
1 1 1   -4    0   30 o  201.856   21.954  528.803  108.881  528.803  108.881   0.0000   0.0000  201.856   21.954  ?   ?  0.000000 21.95437 
1 1 1   -4    0   31 f  306.991   16.243  1198.93  124.081  1306.17  183.043  1107.75  168.778  317.450   23.252  292.186   23.326 25.26395 32.93563 
1 1 1   -4    0   32 o  203.630   14.080  526.742   71.156  584.440  113.297  489.159   91.439  212.155   21.690  194.805   19.040 17.34959 28.86164 
1 1 1   -4    0   33 o  169.839   13.838  367.206   58.180  429.645   98.678  333.935   72.032  181.225   22.274  160.747   18.269 20.47832 28.80748 
1 1 1   -4    0   34 o  135.934   17.577  239.662   58.267   0.0000   0.0000  239.662   58.267  ?   ?   135.934   17.577 0.000000 17.57673 
1 1 1   -4    0   35 o  109.024   16.061  154.675   42.416   91.739   89.390  172.962   48.186   87.528   31.733  115.063   17.306 -27.53535 36.14495 
1 1 1   -4    0   36 o   95.469   16.181  119.772   37.198  126.661   88.928  118.311   40.953   96.528   31.812   94.359   18.038 2.169022 36.56949 
1 1 1   -4    0   37 o   62.921   17.414   52.861   28.291   53.297   89.189   52.813   29.831   76.557   30.681   62.974   18.043 13.58306 35.59299 
1 1 1   -4    0   38 o  151.166   33.325  341.229  122.413  341.229  122.413   0.0000   0.0000  151.166   33.325  ?   ?  0.000000 33.32515 
1 1 1   -4    0   39 o  120.065   35.085  228.178  111.804  228.178  111.804   0.0000   0.0000  120.065   35.085  ?   ?  0.000000 35.08520 
1 1 1   -4    0   40 o   48.108   16.908   27.954   25.175 -49.3065  101.172   33.054   25.993   60.092   27.933   51.027   17.208 9.065140 32.80756 
1 1 1   -4    0   41 o   55.905   17.614   42.071   27.456 -20.1986  107.822   46.388   28.391   64.810   29.658   58.326   17.836 6.483482 34.60788 
1 1 1   -4    0   42 o  144.092   18.220  285.673   64.096   0.0000   0.0000  285.673   64.096  ?   ?   144.092   18.220 0.000000 18.22032 
1 1 1   -4    0   43 o   78.032   18.249   86.668   34.925   43.850  136.405   89.672   36.129   75.925   34.190   79.242   18.580 -3.317520 38.91266 
1 1 1   -4    0   44 o   82.522   18.585   98.458   37.377   1.9655  149.305  104.910   38.606   70.956   33.291   85.205   18.661 -14.24883 38.16488 
1 1 1   -4    1    1 o  376.960   12.413  1778.50  116.844  1750.61  165.221  1806.40  165.264  373.529   17.713  379.462   17.441 -5.933228 24.85797 
1 1 1   -4    1    2 o  625.151   19.526  4908.98  304.820  4799.65  430.947  5018.45  431.215  616.209   28.006  630.263   27.398 -14.05365 39.17872 
1 1 1   -4    1    3 o  564.051   17.874  3993.11  251.756  3942.09  355.974  4044.16  356.100  558.939   25.504  566.202   25.185 -7.263184 35.84339 
1 1 1   -4    1    4 o  100.719   6.9589  127.370   17.395  112.957   24.532  141.945   24.669   94.436   10.585  106.128   9.4060 -11.69100 14.16018 
1 1 1   -4    1    5 o  469.386   15.152  2762.55  177.608  2759.65  251.165  2765.46  251.187  468.147   21.485  468.643   21.464 -0.4965210 30.36902 
1 1 1   -4    1    6 o  395.588   13.078  1960.81  129.197  1977.13  182.738  1944.49  182.685  396.542   18.454  393.232   18.604 3.309601 26.20408 
1 1 1   -4    1    7 o  878.095   26.924  9795.23  590.379  9605.83  834.691  9984.84  835.154  861.653   38.792  879.074   38.044 -17.42108 54.33412 
1 1 1   -4    1    8 o  407.314   15.626  2085.53  158.940  1858.92  274.973  2199.22  194.774  380.344   29.173  417.668   18.675 -37.32373 34.63839 
1 1 1   -4    1    9 o  327.533   13.529  1346.86  110.657  1261.05  191.637  1389.78  135.536  314.026   24.636  332.293   16.334 -18.26724 29.55837 
1 1 1   -4    1   10 o  767.279   33.148  7592.47  635.120  6523.78  896.312  8670.19  900.091  693.685   52.123  808.390   44.762 -114.7057 68.70593 
1 1 1   -4    1   11 o  511.306   23.518  3312.70  300.283  3308.22  424.715  3317.17  424.613  506.011   33.806  506.728   33.749 -0.7167664 47.76850 
1 1 1   -4    1   12 o  547.705   24.914  3796.74  340.751  3763.94  481.971  3829.52  481.819  540.333   35.925  545.196   35.585 -4.863403 50.56553 
1 1 1   -4    1   13 o  676.272   30.065  5801.15  507.726  5765.08  718.178  5837.18  717.887  667.305   43.333  671.647   43.028 -4.341797 61.06672 
1 1 1   -4    1   14 o  737.401   32.522  6897.56  598.865  6744.08  846.874  7051.06  846.973  721.504   47.265  738.411   46.164 -16.90686 66.06879 
1 1 1   -4    1   15 o  311.947   23.108  1230.47  178.730   0.0000   0.0000  1230.47  178.730  ?   ?   311.947   23.108 0.000000 23.10828 
1 1 1   -4    1   17 o  594.812   26.647  4458.28  395.796  4536.69  560.325  4380.20  559.157  596.128   37.836  585.506   38.457 10.62244 53.94896 
1 1 1   -4    1   18 f  263.080   14.513  869.214   94.978  990.386  135.384  751.782  133.278  280.264   19.465  243.595   22.152 36.66879 29.48889 
1 1 1   -4    1   19 o  428.033   20.227  2300.93  216.200  2350.75  306.794  2251.79  304.722  430.456   28.706  421.155   29.154 9.300995 40.91375 
1 1 1   -4    1   20 o  593.432   26.614  4446.37  394.397  4548.85  558.968  4344.78  556.565  595.783   37.766  581.913   38.519 13.86963 53.94386 
1 1 1   -4    1   21 o  580.275   38.000  4332.68  547.603  4332.68  547.603   0.0000   0.0000  580.275   38.000  ?   ?  0.000000 38.00027 
1 1 1   -4    1   22 o  422.934   20.312  2253.53  214.520  2196.87  304.565  2309.32  302.202  414.510   29.619  425.362   28.617 -10.85248 41.18473 
1 1 1   -4    1   23 o  397.310   19.640  1990.80  194.860  1804.48  276.805  2173.83  274.360  374.734   29.827  412.598   26.773 -37.86420 40.08041 
1 1 1   -4    1   24 o  294.889   15.408  1096.71  113.068  1222.35  163.135  980.569  156.855  310.031   21.199  277.093   22.873 32.93759 31.18570 
1 1 1   -4    1   25 o  306.355   16.039  1186.16  122.276  1268.29  175.930  1109.42  170.069  315.007   22.513  294.259   23.336 20.74762 32.42539 
1 1 1   -4    1   26 o  514.655   34.985  3494.28  446.949   0.0000   0.0000  3494.28  446.949  ?   ?   514.655   34.985 0.000000 34.98464 
1 1 1   -4    1   27 f  439.438   20.812  2461.24  228.377  2574.74  326.543  2352.56  319.519  443.985   29.623  423.830   30.391 20.15466 42.43954 
1 1 1   -4    1   28 o  272.981   15.762  945.380  106.993  908.943  155.708  977.972  147.266  264.995   23.783  275.798   21.554 -10.80292 32.09692 
1 1 1   -4    1   29 o  164.334   13.541  342.799   55.075  334.033   86.399  348.799   71.481  160.022   22.221  164.855   17.637 -4.832855 28.36964 
1 1 1   -4    1   30 o  341.693   17.989  1488.54  152.954  1467.99  221.533  1507.27  211.439  335.217   26.685  340.590   25.036 -5.372925 36.59073 
1 1 1   -4    1   31 o  224.565   22.719  654.786  125.650  654.786  125.650   0.0000   0.0000  224.565   22.719  ?   ?  0.000000 22.71895 
1 1 1   -4    1   32 o  144.886   14.299  267.881   51.061  235.139   86.382  285.466   63.304  132.098   27.095  148.879   17.353 -16.78047 32.17593 
1 1 1   -4    1   33 o  375.013   19.148  1802.33  178.714  1837.15  260.746  1771.49  245.429  373.118   28.193  367.205   26.953 5.913086 39.00401 
1 1 1   -4    1   34 o  316.769   16.847  1281.19  132.783  1404.12  199.640  1183.66  177.817  327.669   24.577  301.121   23.842 26.54788 34.24185 
1 1 1   -4    1   35 o  313.954   17.051  1262.12  133.182  1394.00  205.487  1166.60  174.888  325.110   25.516  298.389   23.665 26.72156 34.80047 
1 1 1   -4    1   36 o  338.589   18.025  1477.50  151.853  1575.43  229.611  1401.36  202.450  343.150   27.014  324.994   25.141 18.15662 36.90277 
1 1 1   -4    1   37 o   81.856   17.141   89.352   33.915  102.829   91.934   87.229   36.488   89.788   32.231   80.561   18.524 9.226982 37.17505 
1 1 1   -4    1   38 o  148.521   17.821  290.582   64.776   0.0000   0.0000  290.582   64.776  ?   ?   148.521   17.821 0.000000 17.82104 
1 1 1   -4    1   39 o   47.031   16.999   24.861   25.625  113.967   95.609   17.965   26.598   90.730   32.830   44.208   17.042 46.52170 36.98921 
1 1 1   -4    1   40 o  221.273   16.211  645.244   88.951  672.948  156.068  631.914  108.255  213.168   30.160  215.785   20.329 -2.617035 36.37219 
1 1 1   -4    1   41 f  114.667   16.438  176.880   45.722  154.032  118.594  180.869   49.553   97.971   36.378  115.300   17.782 -17.32890 40.49131 
1 1 1   -4    1   42 o  113.367   17.332  175.486   47.509   44.588  123.801  198.092   51.448   76.878   33.698  120.394   17.635 -43.51602 38.03407 
1 1 1   -4    1   43 o   78.933   18.281   88.008   35.326   34.569  143.714   91.445   36.444   77.074   34.865   80.376   18.536 -3.302277 39.48577 
1 1 1   -4    1   44 f  107.451   17.050  160.487   44.222  248.685  151.087  152.223   46.247  107.397   40.806  103.667   18.545 3.730080 44.82249 
1 1 1   -4    1   45 o  104.072   17.858  154.266   44.739  182.806  167.716  152.080   46.422   91.137   39.599  102.650   18.803 -11.51271 43.83587 
1 1 1   -4    2    1 f  326.925   11.583  1337.46   94.559  1340.41  133.728  1334.52  133.727  326.508   16.454  325.782   16.491 0.7257690 23.29604 
1 1 1   -4    2    2 o  243.331   9.6926  740.444   58.896  758.661   83.327  722.258   83.257  245.745   13.632  239.721   13.969 6.024475 19.51786 
1 1 1   -4    2    3 o  224.134   9.1046  628.117   50.959  619.389   72.044  636.856   72.089  222.027   13.051  225.166   12.874 -3.138824 18.33253 
1 1 1   -4    2    4 o  684.372   21.288  5894.21  363.807  5966.78  514.580  5821.69  514.422  685.909   30.043  677.388   30.411 8.520142 42.74790 
1 1 1   -4    2    5 o  357.288   12.389  1598.49  110.535  1606.75  156.318  1590.22  156.322  357.698   17.500  355.842   17.592 1.855927 24.81385 
1 1 1   -4    2    6 f  216.673   9.1455  587.201   49.484  575.230   69.962  599.186   70.001  213.854   13.165  218.309   12.898 -4.454605 18.42980 
1 1 1   -4    2    7 o  641.501   20.041  5187.64  321.045  5184.03  454.017  5191.26  454.034  638.184   28.489  638.637   28.470 -0.4530029 40.27586 
1 1 1   -4    2    8 f  310.147   10.946  1204.98   84.773  1159.99  119.795  1250.10  119.979  303.351   15.869  315.419   15.232 -12.06766 21.99676 
1 1 1   -4    2    9 o  290.440   10.114  1056.47   73.352  1106.47  103.882  1006.75  103.589  296.818   14.015  282.665   14.726 14.15366 20.32956 
1 1 1   -4    2   10 o  653.794   23.687  5427.14  386.726  5122.32  669.392  5579.85  473.795  621.891   43.375  660.351   28.732 -38.45966 52.02837 
1 1 1   -4    2   11 o  418.276   19.759  2208.00  206.386  1969.98  291.618  2446.86  292.131  391.290   30.075  437.574   26.865 -46.28409 40.32615 
1 1 1   -4    2   12 o  211.770   10.670  562.832   56.244  476.883   97.427  605.793   68.880  193.449   20.479  219.507   12.619 -26.05745 24.05503 
1 1 1   -4    2   13 o  183.993   12.475  425.849   56.980  408.795   80.787  442.731   80.379  179.475   18.281  186.982   17.415 -7.507263 25.24793 
1 1 1   -4    2   14 o  581.321   26.175  4264.37  379.972  4250.64  537.591  4278.08  537.133  576.032   37.579  577.960   37.417 -1.928406 53.03011 
1 1 1   -4    2   15 o  472.669   31.517  2840.06  369.869  2840.06  369.869   0.0000   0.0000  472.669   31.517  ?   ?  0.000000 31.51650 
1 1 1   -4    2   16 o  494.390   22.732  3072.48  280.640  3108.85  397.245  3036.23  396.526  494.598   32.341  488.671   32.683 5.927094 45.97925 
1 1 1   -4    2   17 o  999.682   63.824 13174.54  1584.98   0.0000   0.0000 13174.54  1584.98  ?   ?   999.682   63.824 0.000000 63.82387 
1 1 1   -4    2   18 o  234.015   13.854  687.868   80.597  745.597  114.844  631.843  113.137  243.051   19.075  223.416   20.508 19.63531 28.00741 
1 1 1   -4    2   19 o  674.726   29.716  5753.37  500.683  6035.91  709.240  5472.68  706.912  685.988   41.599  652.200   43.656 33.78802 60.30228 
1 1 1   -4    2   20 o  615.144   27.344  4777.86  420.043  5008.71  595.293  4548.97  592.776  625.400   38.302  595.178   40.118 30.22168 55.46573 
1 1 1   -4    2   21 o  358.947   17.690  1617.36  158.564  1694.84  225.915  1542.13  222.607  365.671   24.888  348.541   25.759 17.12988 35.81810 
1 1 1   -4    2   22 o  361.969   26.094  1666.72  234.280  1666.72  234.280   0.0000   0.0000  361.969   26.094  ?   ?  0.000000 26.09370 
1 1 1   -4    2   23 o  593.924   26.975  4481.80  400.076  4399.88  566.663  4563.22  564.927  581.725   39.237  592.986   38.356 -11.26068 54.87023 
1 1 1   -4    2   24 o  341.714   17.680  1474.90  150.349  1413.29  214.545  1534.34  210.756  332.244   26.068  346.749   24.497 -14.50494 35.77248 
1 1 1   -4    2   25 o  223.852   13.502  631.828   75.125  722.523  110.299  553.348  102.603  238.428   18.675  208.178   19.982 30.24962 27.35019 
1 1 1   -4    2   26 o  194.477   13.396  477.843   64.660  495.250   96.020  463.399   87.465  196.666   19.822  190.456   18.629 6.210312 27.20179 
1 1 1   -4    2   27 o  479.258   22.553  2934.23  269.911  2989.21  384.842  2881.00  378.657  477.014   32.501  468.204   32.589 8.809998 46.02588 
1 1 1   -4    2   28 o  457.981   21.531  2679.05  246.236  2809.50  353.136  2555.62  343.524  462.769   30.733  440.809   31.413 21.95956 43.94633 
1 1 1   -4    2   29 o  308.746   16.503  1210.54  126.774  1253.60  184.087  1171.70  174.841  311.403   23.854  301.186   23.431 10.21713 33.43691 
1 1 1   -4    2   30 o  375.870   18.919  1803.08  177.008  1834.28  255.119  1774.11  245.795  374.692   27.457  368.808   26.873 5.883789 38.41946 
1 1 1   -4    2   31 o  342.307   17.562  1492.51  149.612  1576.37  217.945  1417.77  205.747  348.222   25.235  330.203   25.141 18.01932 35.62081 
1 1 1   -4    2   32 o  178.961   23.285  418.925  101.597  418.925  101.597   0.0000   0.0000  178.961   23.285  ?   ?  0.000000 23.28527 
1 1 1   -4    2   33 o  447.487   21.057  2569.50  235.301  2764.80  339.975  2389.94  325.996  457.116   29.949  424.029   31.002 33.08762 43.10490 
1 1 1   -4    2   34 o  231.803   15.040  683.719   86.587  725.384  136.610  655.740  111.945  235.691   23.525  225.336   20.105 10.35461 30.94583 
1 1 1   -4    2   35 o  430.659   20.853  2389.14  224.262  2522.95  327.060  2270.40  308.099  434.322   30.346  412.103   30.148 22.21890 42.77603 
1 1 1   -4    2   36 o  330.037   17.715  1399.23  145.465  1497.67  220.890  1323.85  193.298  335.747   26.563  316.907   24.619 18.83957 36.21691 
1 1 1   -4    2   37 o  140.288   15.053  253.923   51.910  338.814  114.384  231.904   58.254  155.579   30.532  133.076   17.991 22.50293 35.43849 
1 1 1   -4    2   38 o   86.728   32.487   90.869   94.993   90.869   94.993   0.0000   0.0000   86.728   32.487  ?   ?  0.000000 32.48716 
1 1 1   -4    2   39 o   66.133   17.594   59.072   29.564  133.291   98.315   51.694   30.999   96.791   33.447   62.246   18.550 34.54454 38.24678 
1 1 1   -4    2   40 o  244.867   15.457  782.763   94.031  1020.12  163.990  666.500  114.773  271.144   24.484  221.871   20.963 49.27278 32.23235 
1 1 1   -4    2   41 o   88.696   17.417  107.369   37.201  158.281  111.667  101.014   39.454  100.063   35.564   85.364   18.998 14.69950 40.32011 
1 1 1   -4    2   42 o  123.172   16.950  205.009   50.755  102.680  130.307  223.311   55.107   87.907   36.379  128.218   17.681 -40.31055 40.44789 
1 1 1   -4    2   43 f   83.163   17.865   96.462   35.994  114.742  131.602   94.984   37.421   88.426   36.573   82.160   18.664 6.266495 41.06032 
1 1 1   -4    2   44 o  145.304   17.242  289.812   61.341  188.404  157.158  308.038   66.626   98.536   40.273  149.039   18.285 -50.50261 44.22955 
1 1 1   -4    2   45 o  212.817   17.724  629.654   93.336  743.094  205.456  600.155  104.771  186.382   44.716  203.844   20.877 -17.46202 49.34922 
1 1 1   -4    3    1 o  600.592   18.876  4532.60  283.093  4654.94  400.496  4410.44  400.214  606.795   26.430  590.444   27.143 16.35059 37.88571 
1 1 1   -4    3    2 o  371.400   12.726  1727.22  118.023  1712.60  166.883  1741.85  166.937  369.285   18.097  372.443   17.949 -3.157562 25.48846 
1 1 1   -4    3    3 f  125.417   7.6967  197.343   23.989  197.102   33.924  197.584   33.927  125.030   10.976  125.185   10.963 -0.1551132 15.51368 
1 1 1   -4    3    4 o  173.038   8.3256  374.337   35.976  383.947   50.890  364.737   50.864  174.743   11.730  170.262   12.041 4.480484 16.81008 
1 1 1   -4    3    5 o  343.329   12.053  1476.01  103.338  1472.53  146.132  1479.50  146.151  342.428   17.089  343.242   17.051 -0.8138733 24.14085 
1 1 1   -4    3    6 o  315.834   11.370  1248.99   89.676  1235.65  126.774  1262.36  126.868  313.269   16.261  316.672   16.096 -3.402954 22.88058 
1 1 1   -4    3    7 o  380.148   12.968  1811.82  123.109  1797.20  174.079  1826.44  174.127  377.817   18.451  380.902   18.306 -3.084900 25.99137 
1 1 1   -4    3    8 o  391.089   12.853  1918.46  125.520  1820.49  177.359  2016.77  177.667  380.009   18.690  400.152   17.780 -20.14322 25.79614 
1 1 1   -4    3    9 o  378.815   12.574  1800.19  118.946  1768.04  168.168  1832.39  168.261  374.498   17.982  381.315   17.671 -6.816437 25.21128 
1 1 1   -4    3   10 o  275.909   10.336  953.552   71.215  957.197  100.692  949.904  100.735  275.604   14.683  274.538   14.748 1.065704 20.81095 
1 1 1   -4    3   11 o  184.861   9.5444  428.903   43.910  454.947   76.102  415.905   53.761  189.511   16.238  181.767   11.910 7.743744 20.13730 
1 1 1   -4    3   12 o  180.154   11.623  408.201   52.010  522.634   74.371  298.667   72.762  203.548   14.731  152.771   19.519 50.77669 24.45391 
1 1 1   -4    3   13 o  569.465   20.814  4082.62  295.989  3847.78  512.477  4200.17  362.578  546.519   37.783  576.506   25.185 -29.98706 45.40738 
1 1 1   -4    3   14 o  243.098   11.335  739.370   68.812  641.684  119.623  787.680   84.124  224.865   21.568  250.447   13.501 -25.58177 25.44484 
1 1 1   -4    3   15 o  1071.67   46.879 14783.72  1254.55 14713.97  1774.26 14853.46  1774.15  1050.10   68.026  1055.43   67.671 -5.330566 95.95282 
1 1 1   -4    3   16 o  422.770   20.043  2243.41  211.602  2175.48  299.258  2311.34  299.243  414.129   29.123  427.125   28.214 -12.99503 40.54857 
1 1 1   -4    3   17 o  487.400   22.493  2985.28  273.770  2921.51  387.294  3048.97  387.045  479.431   32.542  490.015   31.802 -10.58478 45.50111 
1 1 1   -4    3   18 o  623.307   40.081  4970.22  620.565   0.0000   0.0000  4970.22  620.565  ?   ?   623.307   40.081 0.000000 40.08144 
1 1 1   -4    3   19 o  529.990   24.112  3534.52  319.125  3588.93  452.083  3480.47  450.542  530.911   34.282  522.666   34.717 8.244873 48.79073 
1 1 1   -4    3   20 o  530.054   24.107  3537.51  319.094  3627.45  452.186  3448.30  450.353  533.492   34.121  519.854   34.894 13.63831 48.80363 
1 1 1   -4    3   21 o  630.079   28.003  5020.12  440.608  5235.66  624.405  4806.35  621.830  638.441   39.357  610.880   41.001 27.56104 56.83303 
1 1 1   -4    3   22 o  154.767   12.647  301.969   48.451  312.891   71.409  292.651   65.955  156.705   18.612  151.624   17.755 5.080353 25.72293 
1 1 1   -4    3   23 o  386.523   19.008  1880.63  183.469  1832.08  260.474  1928.44  258.466  378.817   27.728  388.985   26.771 -10.16806 38.54262 
1 1 1   -4    3   24 o  187.595   13.294  443.678   61.873  448.192   89.988  439.631   85.211  187.523   19.502  185.877   18.608 1.646713 26.95511 
1 1 1   -4    3   25 o  301.458   16.007  1147.14  120.065  1204.66  172.718  1093.35  167.020  307.299   22.667  292.575   23.047 14.72375 32.32594 
1 1 1   -4    3   26 o  139.737   13.329  247.626   45.946  206.270   70.377  278.347   60.657  125.341   23.344  147.611   16.752 -22.26910 28.73246 
1 1 1   -4    3   27 o  347.962   17.931  1536.65  155.274  1521.30  222.503  1551.22  216.790  343.111   26.166  346.908   25.197 -3.797394 36.32559 
1 1 1   -4    3   28 o  434.749   20.789  2408.52  225.697  2479.92  322.728  2340.18  315.754  435.622   29.847  422.967   30.091 12.65427 42.38285 
1 1 1   -4    3   29 o   72.324   18.344   68.963   33.179   0.0000   0.0000   68.963   33.179  ?   ?    72.324   18.344 0.000000 18.34361 
1 1 1   -4    3   30 o  108.870   14.014  151.927   37.216  162.915   64.873  146.536   45.437  110.489   24.183  106.075   17.782 4.413422 30.01752 
1 1 1   -4    3   31 o  565.781   26.109  4148.21  368.880  4288.08  526.014  4012.86  517.440  563.351   37.607  544.120   38.327 19.23181 53.69562 
1 1 1   -4    3   32 o  360.348   18.464  1657.14  165.592  1694.30  240.519  1623.66  228.321  360.048   26.946  352.915   26.092 7.132111 37.50895 
1 1 1   -4    3   33 o  342.960   27.162  1541.94  230.719  1541.94  230.719   0.0000   0.0000  342.960   27.162  ?   ?  0.000000 27.16163 
1 1 1   -4    3   34 o  307.390   16.932  1204.76  129.470  1244.50  192.904  1172.17  174.650  308.596   25.254  300.351   23.472 8.244690 34.47730 
1 1 1   -4    3   35 o  122.128   15.179  191.933   45.294  201.433   90.906  188.796   52.239  121.008   30.184  120.421   17.918 0.5874023 35.10175 
1 1 1   -4    3   36 o  249.279   15.588  793.330   96.548  865.857  154.498  746.858  123.671  256.501   24.415  239.761   20.864 16.74017 32.11502 
1 1 1   -4    3   37 o  168.311   18.219  368.157   75.354   0.0000   0.0000  368.157   75.354  ?   ?   168.311   18.219 0.000000 18.21923 
1 1 1   -4    3   38 o  103.209   18.374  141.572   45.620   0.0000   0.0000  141.572   45.620  ?   ?   103.209   18.374 0.000000 18.37417 
1 1 1   -4    3   39 o   89.432   16.652  106.502   35.819  165.560  100.926   97.991   38.313  106.441   33.795   85.163   18.541 21.27821 38.54757 
1 1 1   -4    3   40 o   88.667   16.880  105.607   36.009  140.213  105.792  101.072   38.296   98.170   34.645   86.217   18.351 11.95297 39.20510 
1 1 1   -4    3   41 o   49.927   16.934   31.098   25.176  148.357  109.761   24.587   25.865   98.598   35.236   46.806   17.054 51.79166 39.14625 
1 1 1   -4    3   42 o  122.697   38.561  260.830  131.681  260.830  131.681   0.0000   0.0000  122.697   38.561  ?   ?  0.000000 38.56099 
1 1 1   -4    3   43 o   50.666   17.366   32.560   26.478   26.517  127.311   32.833   27.070   75.268   33.526   50.959   17.554 24.30923 37.84315 
1 1 1   -4    3   44 o  189.159   17.945  489.441   83.751  320.141  172.555  541.614   95.790  122.612   44.142  197.331   19.702 -74.71942 48.33918 
1 1 1   -4    3   45 o  126.449   16.427  219.279   50.644  464.390  169.394  195.219   53.072  148.908   43.092  117.732   18.675 31.17621 46.96500 
1 1 1   -4    4    1 o  197.210   8.7060  486.361   42.874  483.962   60.605  488.765   60.662  196.174   12.436  197.154   12.384 -0.9805603 17.55043 
1 1 1   -4    4    2 o  123.753   7.6829  192.183   23.626  207.520   33.421  176.863   33.402  128.349   10.520  118.312   11.449 10.03719 15.54803 
1 1 1   -4    4    3 o  384.751   13.039  1854.65  125.276  1776.92  177.058  1932.57  177.277  375.425   18.947  392.131   18.104 -16.70654 26.20589 
1 1 1   -4    4    4 o  145.887   8.0066  266.888   29.057  260.522   41.089  273.257   41.096  143.792   11.540  147.317   11.256 -3.525635 16.12090 
1 1 1   -4    4    5 o  344.754   12.064  1488.72  103.864  1502.62  146.900  1474.83  146.872  345.821   17.011  342.154   17.245 3.666901 24.22305 
1 1 1   -4    4    6 o  281.108   10.573  989.273   74.217  991.689  104.966  986.857  104.950  280.677   15.030  279.984   15.066 0.6929932 21.28142 
1 1 1   -4    4    7 o  374.018   12.540  1753.78  117.124  1776.46  165.649  1731.11  165.628  375.678   17.657  370.812   17.887 4.865906 25.13385 
1 1 1   -4    4    8 o  363.735   12.491  1659.30  113.459  1664.63  160.457  1653.97  160.453  363.510   17.676  362.334   17.733 1.175812 25.03844 
1 1 1   -4    4    9 o  607.454   19.073  4657.81  289.325  4629.88  409.112  4685.75  409.221  602.263   27.202  605.963   27.043 -3.699951 38.35770 
1 1 1   -4    4   10 o  364.796   12.614  1669.49  114.910  1698.86  162.528  1640.13  162.486  367.144   17.727  360.227   18.121 6.916565 25.34986 
1 1 1   -4    4   11 o  542.569   17.331  3706.07  234.824  3671.54  332.018  3740.64  332.163  537.753   24.725  542.870   24.502 -5.116882 34.80893 
1 1 1   -4    4   12 o  293.673   15.532  1085.92  113.498  980.702  160.474  1191.23  160.548  277.535   23.372  306.574   21.100 -29.03925 31.48721 
1 1 1   -4    4   13 o  515.935   34.039  3411.45  436.085   0.0000   0.0000  3411.45  436.085  ?   ?   515.935   34.039 0.000000 34.03864 
1 1 1   -4    4   14 o  739.989   47.421  7107.75  871.672  7107.75  871.672   0.0000   0.0000  739.989   47.421  ?   ?  0.000000 47.42080 
1 1 1   -4    4   15 o  221.093   10.678  611.327   58.952  650.689  102.757  592.016   71.974  227.022   18.281  217.068   13.343 9.953949 22.63188 
1 1 1   -4    4   16 o  672.549   23.799  5689.72  399.696  6127.65  693.383  5471.79  489.141  692.098   40.294  658.174   29.761 33.92432 50.09283 
1 1 1   -4    4   17 o  690.305   24.834  5996.50  428.093  5876.11  741.719  6056.64  524.221  676.341   44.158  692.437   30.317 -16.09552 53.56368 
1 1 1   -4    4   18 f  422.567   20.050  2240.94  211.569  2269.55  299.632  2212.49  298.777  423.228   28.517  417.785   28.814 5.443054 40.53979 
1 1 1   -4    4   19 f  423.922   28.838  2278.54  303.468   0.0000   0.0000  2278.54  303.468  ?   ?   423.922   28.838 0.000000 28.83807 
1 1 1   -4    4   20 o  747.978   32.903  7092.01  614.566  7238.22  869.941  6946.35  868.316  748.618   46.769  732.820   47.709 15.79785 66.80975 
1 1 1   -4    4   21 o  454.107   21.238  2592.94  240.836  2649.09  341.599  2537.43  339.597  456.428   30.140  446.529   30.641 9.899445 42.98000 
1 1 1   -4    4   22 o  698.641   31.080  6201.24  542.232  6166.34  767.570  6236.01  766.095  688.982   44.857  693.091   44.498 -4.108887 63.18446 
1 1 1   -4    4   23 o  155.408   12.781  304.635   49.161  308.066   72.819  301.763   66.640  155.317   19.182  153.961   17.652 1.355423 26.06820 
1 1 1   -4    4   24 o  434.259   20.865  2380.68  226.269  2211.10  320.783  2548.60  319.208  414.626   31.211  446.242   28.799 -31.61536 42.46737 
1 1 1   -4    4   25 o  432.079   30.065  2405.13  322.370  2405.13  322.370   0.0000   0.0000  432.079   30.065  ?   ?  0.000000 30.06456 
1 1 1   -4    4   26 o  297.945   16.264  1122.09  120.549  1093.43  173.097  1149.09  167.983  292.033   23.947  299.839   22.601 -7.806488 32.92811 
1 1 1   -4    4   27 o  399.220   19.517  2021.17  194.573  2043.19  277.725  1999.94  272.680  397.180   28.184  393.045   27.964 4.135071 39.70322 
1 1 1   -4    4   28 o  355.791   18.039  1608.06  159.751  1651.74  229.256  1566.84  222.729  357.428   25.860  348.099   25.806 9.328430 36.53345 
1 1 1   -4    4   29 o  174.102   13.660  384.220   58.912  359.985   89.696  402.606   78.127  166.454   22.127  177.321   17.888 -10.86633 28.45334 
1 1 1   -4    4   30 o  164.885   17.851  348.881   72.327   0.0000   0.0000  348.881   72.327  ?   ?   164.885   17.851 0.000000 17.85076 
1 1 1   -4    4   31 o  154.310   14.082  302.910   53.665  249.415   84.736  338.737   69.345  136.878   25.735  162.514   17.356 -25.63577 31.04054 
1 1 1   -4    4   32 o  304.177   16.696  1176.59  126.337  1198.02  185.665  1158.11  172.406  303.726   24.693  299.247   23.254 4.478790 33.91880 
1 1 1   -4    4   33 o  196.242   14.892  489.731   72.435  423.365  113.481  535.361   94.098  178.959   26.166  204.211   18.658 -25.25235 32.13755 
1 1 1   -4    4   34 o  357.680   28.060  1683.20  248.620  1683.20  248.620   0.0000   0.0000  357.680   28.060  ?   ?  0.000000 28.06009 
1 1 1   -4    4   35 o  206.438   14.686  542.224   75.217  586.949  122.844  515.399   95.136  211.811   23.628  199.886   19.299 11.92467 30.50783 
1 1 1   -4    4   36 o  384.863   19.560  1905.14  187.363  1982.47  276.132  1839.16  255.064  386.108   28.847  372.790   27.595 13.31778 39.92059 
1 1 1   -4    4   37 o  372.429   19.402  1790.65  179.815  1852.73  267.812  1739.70  242.641  371.382   29.111  361.536   27.072 9.845459 39.75350 
1 1 1   -4    4   38 o  189.919   15.675  464.330   73.676  414.645  129.636  488.035   89.543  171.983   31.340  193.507   18.766 -21.52370 36.52870 
1 1 1   -4    4   39 o  133.792   17.704  235.489   57.698   0.0000   0.0000  235.489   57.698  ?   ?   133.792   17.704 0.000000 17.70434 
1 1 1   -4    4   40 o   80.869   17.668   88.385   34.683   43.025  101.304   94.408   36.913   76.478   31.897   83.475   18.220 -6.997101 36.73378 
1 1 1   -4    4   41 o  152.319   15.743  305.011   59.016  301.163  126.089  306.090   66.783  137.710   36.192  151.447   18.012 -13.73709 40.42592 
1 1 1   -4    4   42 o  113.907   16.055  173.225   44.402  250.770  122.522  161.501   47.640  122.833   36.941  108.974   18.144 13.85835 41.15664 
1 1 1   -4    4   43 o   81.843   34.823   68.888  124.636   68.888  124.636   0.0000   0.0000   81.843   34.823  ?   ?  0.000000 34.82276 
1 1 1   -4    4   44 f   57.029   17.924   44.183   28.452   11.269  133.097   45.759   29.125   73.792   33.451   57.928   18.124 15.86450 38.04480 
1 1 1   -4    4   45 f   94.749   17.504  125.009   39.889  263.160  152.208  114.821   41.334  113.056   41.344   89.919   19.003 23.13741 45.50154 
1 1 1   -4    4   46 o  127.140   17.571  225.683   54.295  183.228  171.976  230.383   57.222   94.103   40.492  127.797   18.466 -33.69315 44.50370 
1 1 1   -4    5    1 o  230.198   9.3302  663.083   53.634  653.057   75.770  673.153   75.931  227.803   13.378  231.317   13.200 -3.513931 18.79388 
1 1 1   -4    5    2 o  316.069   11.193  1251.10   88.347  1260.63  124.913  1241.56  124.970  316.801   15.790  313.972   15.992 2.828979 22.47348 
1 1 1   -4    5    3 o  421.455   14.051  2228.18  147.876  2258.67  209.151  2197.69  209.106  423.363   19.783  417.555   20.054 5.807404 28.16981 
1 1 1   -4    5    4 o  227.330   9.3760  646.619   53.226  629.769   75.218  663.518   75.328  223.690   13.529  229.671   13.190 -5.980713 18.89457 
1 1 1   -4    5    5 o  312.134   11.276  1220.32   87.894  1213.56  124.281  1227.08  124.321  310.355   16.091  312.098   16.005 -1.742737 22.69577 
1 1 1   -4    5    6 o  261.519   10.128  856.237   66.141  834.800   93.512  877.698   93.563  257.444   14.606  264.052   14.242 -6.607269 20.40014 
1 1 1   -4    5    7 o  106.244   7.6659  141.903   20.202  140.316   28.565  143.490   28.574  105.258   11.031  106.472   10.901 -1.213722 15.50867 
1 1 1   -4    5    8 o  261.632   9.9894  857.211   65.265  875.326   92.293  839.092   92.305  263.631   14.070  258.051   14.381 5.580475 20.11935 
1 1 1   -4    5    9 o  479.413   15.273  2890.08  182.849  2937.97  258.643  2842.22  258.533  481.707   21.501  473.683   21.856 8.024170 30.65957 
1 1 1   -4    5   10 o  361.762   12.487  1641.55  112.804  1645.49  159.500  1637.61  159.557  361.368   17.675  360.493   17.724 0.8749390 25.03117 
1 1 1   -4    5   11 o  355.800   12.401  1587.18  110.181  1599.85  155.828  1574.51  155.812  356.490   17.504  353.632   17.644 2.858063 24.85394 
1 1 1   -4    5   12 o  684.825   20.795  5913.62  355.624  6038.88  503.122  5788.56  502.734  688.745   29.253  674.045   29.867 14.70013 41.80643 
1 1 1   -4    5   13 o  989.308   43.539 12658.89  1075.63 12197.99  1520.58 13120.51  1521.76  950.042   64.476  988.269   61.976 -38.22729 89.43228 
1 1 1   -4    5   14 o  347.364   14.097  1511.32  122.280  1541.35  212.015  1496.35  149.684  348.863   24.492  344.918   17.435 3.944702 30.06377 
1 1 1   -4    5   15 o  415.410   15.682  2162.16  162.677  2354.00  282.365  2066.85  199.027  431.303   26.343  405.750   19.643 25.55310 32.86018 
1 1 1   -4    5   16 o  483.980   17.649  2936.65  213.299  3101.54  370.026  2854.59  261.032  494.578   30.104  476.642   21.931 17.93610 37.24483 
1 1 1   -4    5   17 o  314.796   13.021  1239.97  102.356  1311.33  178.053  1204.75  125.091  322.309   22.259  309.688   16.232 12.62122 27.54833 
1 1 1   -4    5   18 o  716.864   25.040  6467.34  448.251  7032.64  777.950  6186.38  548.445  741.066   42.213  699.546   31.395 41.51923 52.60802 
1 1 1   -4    5   19 o  558.087   20.544  3910.26  286.312  3664.73  496.139  4032.85  350.578  535.697   37.321  566.060   24.801 -30.36359 44.81032 
1 1 1   -4    5   20 o  190.657   18.316  460.116   86.131   0.0000   0.0000  460.116   86.131  ?   ?   190.657   18.316 0.000000 18.31612 
1 1 1   -4    5   21 o  414.994   19.763  2163.12  204.808  2230.71  290.650  2096.46  288.644  419.302   27.918  406.263   28.635 13.03818 39.99194 
1 1 1   -4    5   22 o  241.317   14.303  732.239   85.806  738.311  122.859  726.457  119.890  241.420   20.575  239.518   20.234 1.902328 28.85757 
1 1 1   -4    5   23 o  272.001   15.232  931.045  103.044  927.258  147.282  934.675  144.219  270.300   22.011  271.497   21.447 -1.196838 30.73179 
1 1 1   -4    5   24 o   88.220   14.278  100.119   30.381   98.570   48.300  101.133   39.080   86.696   22.210   88.026   18.372 -1.329376 28.82434 
1 1 1   -4    5   25 o  583.025   26.656  4331.00  388.095  4121.92  549.317  4539.37  548.384  560.927   39.468  590.149   37.404 -29.22308 54.37646 
1 1 1   -4    5   26 o  491.318   33.539  3142.16  409.033  3142.16  409.033   0.0000   0.0000  491.318   33.539  ?   ?  0.000000 33.53885 
1 1 1   -4    5   27 f  353.398   17.826  1582.76  156.811  1645.93  224.585  1522.66  219.048  357.759   25.302  343.882   25.694 13.87695 36.06035 
1 1 1   -4    5   28 o  564.608   26.211  4101.31  369.558  4046.60  524.705  4155.16  520.588  550.523   38.408  558.697   37.531 -8.174316 53.70070 
1 1 1   -4    5   29 o  274.289   15.453  953.007  105.413  986.498  153.336  922.995  145.154  276.955   22.362  268.005   21.880 8.949799 31.28519 
1 1 1   -4    5   30 o  166.852   13.711  353.202   56.624  328.012   87.441  371.395   74.308  158.542   22.737  170.241   17.740 -11.69894 28.83878 
1 1 1   -4    5   31 o  303.825   23.296  1191.90  175.403   0.0000   0.0000  1191.90  175.403  ?   ?   303.825   23.296 0.000000 23.29617 
1 1 1   -4    5   32 o  260.408   14.685  859.284   95.102  1006.88  143.126  742.606  127.257  280.040   20.612  239.995   21.460 40.04524 29.75548 
1 1 1   -4    5   33 o  323.963   17.449  1336.64  140.639  1342.21  205.871  1331.77  192.580  320.905   25.911  320.483   24.243 0.4228821 35.48377 
1 1 1   -4    5   34 o  140.602   15.080  252.905   52.121  175.999   90.549  291.014   63.740  113.608   31.037  150.405   17.285 -36.79747 35.52551 
1 1 1   -4    5   35 o  238.483   24.826  744.619  145.682  744.619  145.682   0.0000   0.0000  238.483   24.826  ?   ?  0.000000 24.82623 
1 1 1   -4    5   36 o  232.539   15.995  690.107   92.319  649.215  148.325  715.965  117.950  220.939   27.477  235.364   20.266 -14.42552 34.14251 
1 1 1   -4    5   37 o  323.828   28.074  1398.28  224.780  1398.28  224.780   0.0000   0.0000  323.828   28.074  ?   ?  0.000000 28.07446 
1 1 1   -4    5   38 o   82.473   18.237   90.767   36.562 -23.2421   92.457  111.901   39.807   63.960   28.523   91.826   18.003 -27.86642 33.72984 
1 1 1   -4    5   39 o  204.801   14.208  537.890   72.216  808.481  134.035  427.215   85.721  247.084   21.952  180.348   19.335 66.73625 29.25301 
1 1 1   -4    5   40 o  132.304   17.739  231.293   57.131   0.0000   0.0000  231.293   57.131  ?   ?   132.304   17.739 0.000000 17.73888 
1 1 1   -4    5   41 o  234.729   15.985  719.334   93.140  830.915  163.757  665.977  113.240  242.506   27.529  222.657   20.600 19.84926 34.38306 
1 1 1   -4    5   42 o   73.769   17.837   74.702   32.498   85.014  113.696   73.785   33.913   85.016   34.439   73.153   18.541 11.86234 39.11245 
1 1 1   -4    5   43 o   81.242   17.807   90.959   35.129   92.925  125.697   90.792   36.586   86.733   35.797   80.913   18.509 5.819130 40.29926 
1 1 1   -4    5   44 o   76.798   34.190   30.292  132.231   30.292  132.231   0.0000   0.0000   76.798   34.190  ?   ?  0.000000 34.19009 
1 1 1   -4    5   45 o  112.782   17.660  175.286   48.106   74.509  147.809  187.225   50.876   83.151   36.625  116.365   18.096 -33.21422 40.85134 
1 1 1   -4    5   46 o   56.142   18.196   43.329   29.144   87.685  159.388   41.795   29.643   83.421   37.308   55.419   18.372 28.00248 41.58639 
1 1 1   -4    6    1 o  116.517   10.940  171.597   31.459  181.283   44.340  161.780   44.641  119.132   15.255  112.226   16.414 6.906029 22.40854 
1 1 1   -4    6    2 o  394.400   13.244  1951.98  130.438  1922.47  184.397  1981.54  184.537  390.392   18.915  396.402   18.642 -6.009796 26.55751 
1 1 1   -4    6    3 o   91.046   7.6131  104.391   17.150  105.462   24.162  103.303   24.347   91.119   10.831   90.137   11.048 0.9816513 15.47150 
1 1 1   -4    6    4 o  283.796   10.573  1008.77   74.931  1030.45  105.977  987.101  105.961  286.010   14.890  279.857   15.219 6.153107 21.29144 
1 1 1   -4    6    5 o  288.995   10.722  1046.22   77.376  1002.96  109.320  1089.65  109.534  282.023   15.583  294.105   14.963 -12.08148 21.60403 
1 1 1   -4    6    6 o  113.446   7.7246  161.717   21.753  155.387   30.702  168.097   30.826  110.787   11.254  115.329   10.830 -4.542038 15.61871 
1 1 1   -4    6    7 o  183.964   8.5949  423.496   39.484  413.188   55.821  433.817   55.857  181.073   12.420  185.599   12.118 -4.525574 17.35268 
1 1 1   -4    6    8 o  352.899   12.178  1562.03  107.320  1506.71  151.665  1617.51  151.882  345.298   17.648  358.349   16.973 -13.05124 24.48504 
1 1 1   -4    6    9 o  197.316   8.8366  487.269   43.541  491.520   61.563  483.015   61.589  197.546   12.545  195.808   12.664 1.738907 17.82509 
1 1 1   -4    6   10 o  304.262   11.159  1160.00   84.787  1166.05  119.925  1153.95  119.890  304.104   15.847  302.502   15.927 1.601807 22.46762 
1 1 1   -4    6   11 o  173.581   8.4844  376.899   36.777  375.726   51.906  378.081   52.116  172.728   12.110  173.269   12.121 -0.5412292 17.13432 
1 1 1   -4    6   12 o  327.416   16.714  1350.09  136.204   0.0000   0.0000  1350.09  136.204  ?   ?   327.416   16.714 0.000000 16.71437 
1 1 1   -4    6   13 o  602.479   26.826  4591.40  403.603  4256.56  570.135  4927.76  571.427  574.314   40.004  619.495   37.109 -45.18152 54.56503 
1 1 1   -4    6   14 o  728.330   31.469  6725.47  572.350  5898.02  808.187  7558.00  810.669  673.589   48.369  766.223   42.535 -92.63483 64.41123 
1 1 1   -4    6   15 o  530.744   19.661  3536.24  260.583  3497.83  451.449  3555.43  319.111  523.780   34.712  531.472   24.044 -7.691223 42.22600 
1 1 1   -4    6   16 o  422.858   15.931  2240.02  168.227  2419.69  292.023  2150.77  205.808  437.356   26.868  413.965   19.909 23.39117 33.44054 
1 1 1   -4    6   17 o  944.717   32.706 11294.69  771.589 11756.78  1337.47 11064.18  944.633  949.746   56.651  931.661   40.603 18.08563 69.69865 
1 1 1   -4    6   18 o  727.278   25.124  6656.83  456.293  7129.33  791.528  6421.66  558.417  745.982   42.667  712.742   31.374 33.23932 52.96079 
1 1 1   -4    6   19 o  302.966   13.067  1148.60   98.863  1128.07  172.025  1158.72  120.805  298.649   23.250  303.715   15.984 -5.066315 28.21440 
1 1 1   -4    6   20 o  450.398   17.040  2542.95  191.648  2657.94  333.211  2486.11  234.276  457.794   29.301  444.867   21.089 12.92715 36.10095 
1 1 1   -4    6   21 o  157.266   17.706  314.133   68.327   0.0000   0.0000  314.133   68.327  ?   ?   157.266   17.706 0.000000 17.70638 
1 1 1   -4    6   22 o  164.288   10.017  338.830   40.899  439.357   74.660  295.728   48.887  186.475   16.194  153.142   12.904 33.33243 20.70622 
1 1 1   -4    6   23 o  533.338   19.783  3579.42  263.483  3365.99  457.370  3685.44  322.346  511.440   36.042  540.217   23.895 -28.77686 43.24339 
1 1 1   -4    6   24 f  259.163   11.771  841.356   76.179  971.384  135.293  780.996   92.180  276.983   19.688  249.012   14.892 27.97078 24.68627 
1 1 1   -4    6   25 o  554.163   25.088  3901.37  347.184  4119.85  492.740  3685.95  489.264  563.841   35.171  532.147   37.049 31.69458 51.08444 
1 1 1   -4    6   26 f  334.234   17.273  1412.12  143.679  1446.74  205.144  1378.78  201.295  336.230   24.604  328.150   24.747 8.079498 34.89608 
1 1 1   -4    6   27 o  432.582   30.323  2428.67  325.486  2428.67  325.486   0.0000   0.0000  432.582   30.323  ?   ?  0.000000 30.32261 
1 1 1   -4    6   28 o  174.024   13.252  383.136   57.158  390.873   85.314  376.835   76.993  174.373   19.952  171.578   18.250 2.794647 27.03935 
1 1 1   -4    6   29 o  252.827   15.209  809.550   95.577  768.273  138.950  846.618  131.676  244.034   23.075  257.059   20.688 -13.02419 30.99111 
1 1 1   -4    6   30 o  212.084   14.200  569.668   74.770  549.927  110.532  586.321  101.522  206.398   21.774  213.944   19.207 -7.545700 29.03477 
1 1 1   -4    6   31 o  411.020   20.525  2155.26  210.665  2041.01  301.194  2264.68  294.761  393.689   30.885  416.369   28.521 -22.68005 42.03933 
1 1 1   -4    6   32 o  176.118   18.360  398.281   79.559   0.0000   0.0000  398.281   79.559  ?   ?   176.118   18.360 0.000000 18.35971 
1 1 1   -4    6   33 o  223.172   14.407  631.522   79.861  689.987  122.281  588.037  105.458  231.251   21.418  213.799   19.984 17.45203 29.29373 
1 1 1   -4    6   34 o  315.734   17.279  1269.71  135.715  1272.88  199.741  1266.99  184.970  312.383   25.837  312.626   23.874 -0.2424927 35.17837 
1 1 1   -4    6   35 o  150.408   14.414  288.558   53.474  324.458   95.748  272.285   64.465  156.389   25.388  145.154   18.184 11.23476 31.22807 
1 1 1   -4    6   36 o  146.860   15.411  276.349   55.674  288.633  103.299  271.320   66.095  145.673   29.410  144.629   18.741 1.043152 34.87366 
1 1 1   -4    6   37 o  283.361   16.683  1026.46  117.532  1060.02  180.561  1001.79  154.823  283.493   25.787  277.279   22.555 6.214935 34.25972 
1 1 1   -4    6   38 o   86.818   17.691   99.938   37.052   94.209   92.226  101.040   40.460   88.613   32.216   86.988   19.145 1.625053 37.47542 
1 1 1   -4    6   39 o  196.484   15.950  497.748   77.584  422.460  133.296  536.320   95.410  172.945   32.044  202.661   19.077 -29.71585 37.29332 
1 1 1   -4    6   40 o  172.655   16.369  387.745   69.730  244.450  126.643  450.088   83.533  126.974   37.409  185.232   18.298 -58.25808 41.64413 
1 1 1   -4    6   41 o  159.916   18.163  338.760   71.245   0.0000   0.0000  338.760   71.245  ?   ?   159.916   18.163 0.000000 18.16295 
1 1 1   -4    6   42 o  153.605   15.542  309.948   58.796  364.925  129.729  295.736   65.959  153.227   34.709  148.706   18.138 4.520935 39.16235 
1 1 1   -4    6   43 o   60.411   17.915   49.549   28.965   97.705  117.977   46.460   29.879   87.344   35.186   58.849   18.348 28.49435 39.68277 
1 1 1   -4    6   44 o  144.664   16.695  280.666   59.204  219.527  142.913  293.332   65.048  111.108   40.148  147.073   18.093 -35.96426 44.03640 
1 1 1   -4    6   45 o  112.456   40.893  240.931  148.606  240.931  148.606   0.0000   0.0000  112.456   40.893  ?   ?  0.000000 40.89280 
1 1 1   -4    6   46 o  132.123   16.497  237.995   53.242  404.923  165.410  218.701   56.235  140.085   43.087  125.253   18.539 14.83208 46.90623 
1 1 1   -4    7    1 o  151.586   8.0864  288.319   30.500  282.624   43.068  294.048   43.199  149.684   11.613  152.723   11.409 -3.039520 16.27986 
1 1 1   -4    7    2 o  267.273   14.642  900.620   97.354  899.026  137.562  902.220  137.798  265.714   20.900  266.189   20.898 -0.4749451 29.55592 
1 1 1   -4    7    3 o  220.847   13.096  614.364   71.903  703.993  101.875  525.398  101.497  235.705   17.432  202.852   20.309 32.85291 26.76445 
1 1 1   -4    7    4 o  138.826   8.0873  241.942   27.915  261.440   39.492  222.471   39.464  144.008   11.066  132.646   12.045 11.36292 16.35716 
1 1 1   -4    7    5 o  443.261   14.530  2469.32  160.828  2523.54  227.507  2415.16  227.384  446.692   20.396  436.871   20.843 9.821777 29.16163 
1 1 1   -4    7    6 o  590.506   18.711  4401.20  275.908  4444.84  390.245  4357.59  390.140  590.250   26.476  584.304   26.738 5.946289 37.62848 
1 1 1   -4    7    7 o  202.533   8.9408  513.439   45.220  505.646   63.885  521.263   64.015  200.324   12.838  203.431   12.664 -3.107285 18.03340 
1 1 1   -4    7    8 o  264.074   10.043  873.381   66.230  858.787   93.572  888.031   93.755  261.047   14.410  265.504   14.192 -4.457367 20.22526 
1 1 1   -4    7    9 o  325.222   11.403  1325.61   92.608  1262.30  130.769  1389.31  131.167  316.267   16.616  332.369   15.803 -16.10193 22.93121 
1 1 1   -4    7   10 o  470.228   15.331  2778.19  180.019  2775.11  254.572  2781.27  254.600  468.484   21.760  469.010   21.738 -0.5258484 30.75813 
1 1 1   -4    7   11 o  251.039   11.343  789.263   71.108  797.750  123.410  785.045   87.002  250.837   19.864  249.781   14.005 1.055756 24.30481 
1 1 1   -4    7   12 o  267.690   14.708  901.305   97.942  901.305   97.942   0.0000   0.0000  267.690   14.708  ?   ?  0.000000 14.70803 
1 1 1   -4    7   13 o  246.561   13.978  764.014   85.711  832.291  121.559  696.507  120.871  256.685   19.101  234.404   20.868 22.28021 28.28973 
1 1 1   -4    7   14 o  292.154   15.311  1072.41  111.315  876.674  157.165  1269.44  157.682  262.725   24.228  317.278   20.004 -54.55243 31.41946 
1 1 1   -4    7   15 o  555.816   17.674  3873.96  245.304  3855.04  346.843  3892.89  346.982  553.247   25.105  555.978   24.992 -2.730835 35.42403 
1 1 1   -4    7   16 o  233.793   9.5873  683.288   55.973  750.423   79.278  616.558   79.039  244.541   13.029  221.457   14.370 23.08403 19.39729 
1 1 1   -4    7   17 o  409.793   15.708  2103.31  160.745  1801.88  278.141  2254.47  196.969  376.635   29.817  423.998   18.603 -47.36307 35.14404 
1 1 1   -4    7   18 o  284.957   12.280  1015.80   87.380  1095.91  152.320  976.499  106.679  294.733   20.830  278.819   15.381 15.91312 25.89322 
1 1 1   -4    7   19 o  588.714   21.340  4352.97  313.730  4595.82  544.395  4232.21  383.887  600.491   36.477  579.565   26.525 20.92578 45.10135 
1 1 1   -4    7   20 o  539.675   19.929  3656.27  268.577  3662.50  465.942  3653.17  328.673  536.040   35.001  538.714   24.432 -2.673889 42.68428 
1 1 1   -4    7   21 o  230.474   11.481  664.536   66.078  594.150  116.123  698.239   80.356  216.304   21.795  235.753   13.708 -19.44830 25.74791 
1 1 1   -4    7   22 o  215.245   19.326  586.719  102.769   0.0000   0.0000  586.719  102.769  ?   ?   215.245   19.326 0.000000 19.32551 
1 1 1   -4    7   23 o  303.229   13.070  1151.91   98.967  1181.01  173.598  1137.90  120.459  305.137   22.950  300.695   16.101 4.442261 28.03474 
1 1 1   -4    7   24 o  507.249   19.006  3239.43  240.743  3323.94  418.838  3197.73  294.198  508.547   33.163  502.895   23.427 5.651886 40.60253 
1 1 1   -4    7   25 o  402.983   15.986  2041.70  160.874  1981.70  280.716  2071.05  196.308  393.012   28.804  405.210   19.400 -12.19839 34.72770 
1 1 1   -4    7   26 o  396.497   15.706  1978.36  155.509  1979.15  272.049  1977.98  189.525  392.355   27.949  395.700   19.180 -3.345062 33.89719 
1 1 1   -4    7   27 o  411.382   16.176  2133.54  166.171  2017.89  289.845  2190.17  202.812  394.642   29.627  415.893   19.528 -21.25162 35.48425 
1 1 1   -4    7   28 o  149.740   13.300  284.205   49.215  241.550   75.194  316.172   65.095  135.843   22.986  157.335   16.829 -21.49228 28.48845 
1 1 1   -4    7   29 o  284.221   15.705  1023.01  111.033  1066.89  160.661  982.893  153.625  288.179   22.504  276.557   22.438 11.62198 31.77880 
1 1 1   -4    7   30 o  118.317   14.244  178.974   41.241  128.162   66.162  211.261   52.740   97.995   26.430  128.133   16.895 -30.13823 31.36867 
1 1 1   -4    7   31 o  375.717   18.494  1793.16  173.516  1908.75  249.676  1685.18  241.315  383.548   26.225  359.851   27.052 23.69724 37.67729 
1 1 1   -4    7   32 o  452.636   22.286  2624.96  251.905  2441.05  359.552  2802.25  353.033  428.306   33.894  461.481   30.812 -33.17496 45.80540 
1 1 1   -4    7   33 o  174.537   18.394  391.360   78.964   0.0000   0.0000  391.360   78.964  ?   ?   174.537   18.394 0.000000 18.39427 
1 1 1   -4    7   34 o  385.396   19.994  1901.07  191.758  1792.03  276.669  2001.88  266.019  368.340   30.349  391.377   27.391 -23.03693 40.88208 
1 1 1   -4    7   35 o  257.500   15.928  843.437  101.917  838.227  155.650  847.348  134.844  253.383   24.922  256.277   21.262 -2.893448 32.75930 
1 1 1   -4    7   36 o  176.350   25.977  412.342  110.970  412.342  110.970   0.0000   0.0000  176.350   25.977  ?   ?  0.000000 25.97694 
1 1 1   -4    7   37 o  173.649   14.429  384.532   62.002  491.300  109.974  334.783   75.070  193.496   23.224  160.656   19.085 32.83972 30.05973 
1 1 1   -4    7   38 o  111.375   16.294  161.323   43.976  208.606   92.911  147.672   49.922  122.420   30.503  105.545   19.665 16.87498 36.29261 
1 1 1   -4    7   39 o  171.769   14.831  378.890   62.992  461.259  118.920  346.765   74.267  184.464   26.584  162.985   18.579 21.47890 32.43279 
1 1 1   -4    7   40 o  158.105   15.218  323.272   59.341  367.394  117.744  308.249   68.705  161.120   30.379  153.180   18.325 7.940292 35.47760 
1 1 1   -4    7   41 o  177.777   15.791  411.321   69.375  383.805  130.225  422.225   81.976  161.036   33.475  178.741   18.640 -17.70538 38.31523 
1 1 1   -4    7   42 o  143.993   17.983  276.356   63.252   0.0000   0.0000  276.356   63.252  ?   ?   143.993   17.983 0.000000 17.98282 
1 1 1   -4    7   43 o  112.226   16.727  168.699   45.444  140.683  119.955  173.393   49.104   96.965   36.471  113.241   17.964 -16.27682 40.65493 
1 1 1   -4    7   44 o  295.488   19.071  1179.10  139.969  1148.77  231.075  1196.68  175.914  268.972   35.251  290.808   24.451 -21.83578 42.90108 
1 1 1   -4    7   45 o   46.376   16.913   24.714   25.448   95.073  135.466   22.140   25.909   86.671   36.562   45.310   16.968 41.36046 40.30737 
1 1 1   -4    7   46 o  143.267   44.049  420.423  172.895  420.423  172.895   0.0000   0.0000  143.267   44.049  ?   ?  0.000000 44.04875 
1 1 1   -4    7   47 o   79.718   19.249   91.674   37.886 -140.2306  158.371  105.751   39.019   62.864   30.697   86.052   18.692 -23.18812 35.94028 
1 1 1   -4    8    1 o  254.849   10.002  813.383   63.650  820.202   89.974  806.552   90.056  255.141   14.178  252.982   14.314 2.159409 20.14670 
1 1 1   -4    8    2 o  126.001   7.6954  199.328   24.097  187.382   33.948  211.459   34.211  121.750   11.295  129.475   10.676 -7.724747 15.54194 
1 1 1   -4    8    3 o  241.252   9.6817  728.839   58.328  695.616   82.377  762.243   82.599  234.890   14.109  246.017   13.497 -11.12683 19.52514 
1 1 1   -4    8    4 o   81.111   7.8565   83.071   15.714   83.646   22.159   82.490   22.286   80.919   11.272   80.322   11.434 0.5965805 16.05603 
1 1 1   -4    8    5 o  276.774   14.966  965.869  103.052  920.608  145.656  1011.23  145.821  268.692   21.899  281.950   20.859 -13.25751 30.24302 
1 1 1   -4    8    6 o  516.531   23.744  3388.64  306.263  3418.51  433.155  3358.77  433.086  513.269   33.987  508.569   34.302 4.699219 48.28808 
1 1 1   -4    8    7 o  105.128   11.103  140.027   28.707  128.063   40.638  151.942   40.556   99.496   16.965  108.886   15.341 -9.390434 22.87214 
1 1 1   -4    8    8 o   50.325   9.4721   32.740   11.467   40.717   16.151   24.633   16.282   55.936   11.927   44.253   13.502 11.68331 18.01562 
1 1 1   -4    8    9 o  304.009   11.114  1157.75   84.376  1109.77  119.232  1205.89  119.418  296.673   16.155  309.794   15.436 -13.12128 22.34422 
1 1 1   -4    8   10 o  223.686   9.3622  626.057   52.296  609.770   73.919  642.377   73.996  220.096   13.514  225.970   13.170 -5.873520 18.87047 
1 1 1   -4    8   11 f  602.815   18.618  4570.54  280.259  4790.60  396.695  4351.26  395.997  615.086   25.827  585.801   27.070 29.28546 37.41415 
1 1 1   -4    8   12 o  224.625   13.390  634.299   74.766  526.472  105.623  742.586  105.848  203.445   21.097  242.556   17.595 -39.11069 27.47106 
1 1 1   -4    8   13 o  539.089   24.475  3663.61  329.488  3585.74  465.936  3741.50  465.997  529.452   35.446  541.156   34.666 -11.70428 49.57931 
1 1 1   -4    8   14 o  299.636   15.770  1128.17  117.580  1108.06  166.443  1148.20  166.123  295.937   22.695  301.357   22.232 -5.420624 31.77001 
1 1 1   -4    8   15 o  516.890   16.496  3348.25  212.930  3347.12  301.076  3349.39  301.180  515.848   23.372  516.023   23.373 -0.1751099 33.05373 
1 1 1   -4    8   16 o  720.347   22.302  6520.66  401.176  6408.76  567.197  6632.67  567.500  711.759   31.912  724.243   31.378 -12.48346 44.75447 
1 1 1   -4    8   17 o  195.318   9.1307  476.829   44.535  520.859   63.109  433.153   62.855  203.664   12.469  185.537   13.662 18.12677 18.49665 
1 1 1   -4    8   18 o  651.706   23.477  5340.10  382.069  5094.52  661.666  5462.95  467.971  630.336   42.280  658.084   28.477 -27.74786 50.97591 
1 1 1   -4    8   19 o  449.757   16.824  2534.99  188.953  2685.82  328.237  2460.24  231.081  460.469   28.688  442.633   20.906 17.83594 35.49733 
1 1 1   -4    8   20 f  359.474   14.541  1618.15  130.527  1326.62  226.143  1763.79  159.840  322.983   28.324  375.098   17.064 -52.11432 33.06754 
1 1 1   -4    8   21 o  832.245   29.621  8761.84  615.611  8346.51  1066.16  8969.57  754.007  798.919   53.753  839.473   35.968 -40.55408 64.67657 
1 1 1   -4    8   22 o  564.733   25.113  4024.48  354.155   0.0000   0.0000  4024.48  354.155  ?   ?   564.733   25.113 0.000000 25.11302 
1 1 1   -4    8   23 o  352.628   25.360  1579.94  221.820   0.0000   0.0000  1579.94  221.820  ?   ?   352.628   25.360 0.000000 25.35959 
1 1 1   -4    8   24 o  270.251   12.124  914.988   81.822  979.242  144.501  884.664   99.270  277.887   20.978  265.073   15.059 12.81320 25.82352 
1 1 1   -4    8   25 o  441.176   17.139  2449.33  188.822  2360.82  328.870  2492.86  230.624  428.342   30.954  444.263   20.788 -15.92087 37.28661 
1 1 1   -4    8   26 o  583.052   21.394  4305.63  311.501  4562.89  541.978  4178.72  380.654  590.998   36.908  572.166   26.641 18.83203 45.51909 
1 1 1   -4    8   27 o  260.292   12.050  850.420   78.325  863.335  139.665  844.495   94.602  259.871   21.721  258.643   14.708 1.227478 26.23206 
1 1 1   -4    8   28 o  288.813   15.227  1054.26  109.434  1177.69  158.995  943.153  150.850  303.656   21.099  271.162   22.480 32.49454 30.83048 
1 1 1   -4    8   29 o   93.165   10.562  110.295   24.137  205.839   55.620   88.126   26.792  126.228   18.169   82.639   13.445 43.58883 22.60230 
1 1 1   -4    8   30 o   77.006   11.728   76.197   21.841   99.133   53.709   71.652   23.907   86.594   24.004   74.330   13.371 12.26335 27.47720 
1 1 1   -4    8   31 o  172.990   10.769  377.243   46.290  377.172   90.379  377.269   53.896  170.532   21.716  172.695   12.584 -2.163757 25.09872 
1 1 1   -4    8   32 o  200.052   11.127  504.431   55.369  544.222  107.122  489.925   64.679  205.384   21.191  196.761   13.241 8.623260 24.98714 
1 1 1   -4    8   33 o  150.786   10.411  286.860   38.960  395.864   83.980  256.966   43.979  175.271   19.519  142.333   12.500 32.93762 23.17849 
1 1 1   -4    8   34 o  375.838   27.213  1844.27  253.674   0.0000   0.0000  1844.27  253.674  ?   ?   375.838   27.213 0.000000 27.21288 
1 1 1   -4    8   35 f  399.610   28.625  2097.85  283.756   0.0000   0.0000  2097.85  283.756  ?   ?   399.610   28.625 0.000000 28.62489 
1 1 1   -4    8   36 o  294.904   16.445  1107.27  120.623  1208.45  182.190  1028.30  160.951  304.815   24.132  281.523   23.098 23.29218 33.40495 
1 1 1   -4    8   37 o  105.504   16.306  144.609   41.574  163.560   86.704  138.951   47.375  109.314   30.569  102.666   19.184 6.648170 36.08987 
1 1 1   -4    8   38 f  417.732   20.114  2247.24  209.824  2466.84  308.002  2057.07  286.621  430.028   28.849  391.983   29.498 38.04495 41.25967 
1 1 1   -4    8   39 o  177.417   28.659  430.855  122.642  430.855  122.642   0.0000   0.0000  177.417   28.659  ?   ?  0.000000 28.65865 
1 1 1   -4    8   40 o  137.014   15.299  243.185   51.451  299.293  108.605  226.949   58.423  145.152   30.910  131.286   18.319 13.86603 35.93067 
1 1 1   -4    8   41 o  220.785   15.845  631.807   86.776  680.000  150.423  607.770  106.236  221.052   27.870  214.166   20.099 6.885971 34.36137 
1 1 1   -4    8   42 o   81.753   17.968   90.779   35.682   62.146  106.826   94.375   37.856   80.877   33.146   83.174   18.683 -2.297592 38.04899 
1 1 1   -4    8   43 o   75.375   18.806   78.317   35.282   0.0000   0.0000   78.317   35.282  ?   ?    75.375   18.806 0.000000 18.80614 
1 1 1   -4    8   44 o  182.951   16.581  444.493   74.928  423.976  153.591  450.901   85.835  158.632   39.038  182.525   19.115 -23.89337 43.46639 
1 1 1   -4    8   45 o  221.167   16.740  652.906   91.769  760.363  179.140  614.673  106.855  219.017   33.845  211.209   20.519 7.807495 39.57908 
1 1 1   -4    8   46 f  183.083   16.612  451.387   75.121  566.775  175.644  425.556   83.106  176.786   40.637  175.578   19.271 1.208511 44.97514 
1 1 1   -4    8   47 o   92.438   39.759  148.070  165.683  148.070  165.683   0.0000   0.0000   92.438   39.759  ?   ?  0.000000 39.75932 
1 1 1   -4    9    1 o  290.924   10.797  1059.85   78.441  1067.23  110.918  1052.47  110.947  291.112   15.312  289.069   15.425 2.043518 21.73445 
1 1 1   -4    9    2 o  146.345   8.1421  268.707   29.637  276.779   41.844  260.581   41.984  148.198   11.394  143.720   11.802 4.478424 16.40487 
1 1 1   -4    9    3 o  333.202   11.802  1391.53   98.198  1381.08  138.805  1402.00  138.941  330.875   16.855  333.821   16.667 -2.946198 23.70435 
1 1 1   -4    9    4 o  133.890   7.9532  225.012   26.472  228.426   37.357  221.568   37.518  134.560   11.220  132.481   11.453 2.078873 16.03305 
1 1 1   -4    9    5 o  455.742   14.745  2609.05  167.811  2469.24  237.089  2749.40  237.551  441.872   21.486  466.561   20.389 -24.68903 29.62067 
1 1 1   -4    9    6 o  485.061   15.502  2957.03  187.770  2902.97  265.409  3011.21  265.685  478.970   22.190  487.930   21.805 -8.958954 31.11043 
1 1 1   -4    9    7 o  203.342   12.810  520.539   64.714  541.711   91.598  499.440   91.441  206.656   17.927  198.229   18.693 8.427139 25.90016 
1 1 1   -4    9    8 o  220.109   13.038  609.593   71.343  708.773  101.296  511.969  100.498  236.761   17.252  200.457   20.359 36.30399 26.68524 
1 1 1   -4    9    9 o  192.705   12.586  467.327   60.232  419.711   85.171  514.964   85.190  181.611   19.065  201.701   17.074 -20.08972 25.59236 
1 1 1   -4    9   10 o  447.757   30.216  2561.99  335.879   0.0000   0.0000  2561.99  335.879  ?   ?   447.757   30.216 0.000000 30.21607 
1 1 1   -4    9   11 o  114.585   16.695  168.198   46.368  168.198   46.368   0.0000   0.0000  114.585   16.695  ?   ?  0.000000 16.69536 
1 1 1   -4    9   12 o  402.098   19.258  2031.26  193.376  2000.46  273.569  2062.01  273.380  396.788   27.785  402.986   27.328 -6.197327 38.97165 
1 1 1   -4    9   13 o  352.675   17.228  1560.01  151.725  1324.05  214.214  1797.54  214.931  322.806   26.817  377.244   22.924 -54.43744 35.27943 
1 1 1   -4    9   14 o  470.570   21.740  2783.27  255.462  2883.08  361.659  2683.88  360.898  476.457   30.558  459.349   31.656 17.10815 43.99829 
1 1 1   -4    9   15 o  736.917   22.532  6826.33  414.631  6677.90  586.146  6975.00  586.608  726.285   32.318  742.477   31.638 -16.19257 45.22671 
1 1 1   -4    9   16 o  652.694   19.992  5346.55  325.846  5303.95  460.717  5389.19  460.915  648.385   28.455  653.625   28.238 -5.240540 40.08829 
1 1 1   -4    9   17 o  241.538   9.8570  729.337   59.454  733.286   84.102  725.391   84.059  241.638   13.998  240.322   14.068 1.316055 19.84561 
1 1 1   -4    9   18 o  822.823   24.711  8519.56  507.741  8407.52  717.899  8631.69  718.211  814.110   35.313  825.058   34.859 -10.94751 49.61994 
1 1 1   -4    9   19 o  399.465   15.556  1998.78  155.173  1954.21  269.233  2020.94  189.883  392.701   27.631  401.365   18.945 -8.664032 33.50177 
1 1 1   -4    9   20 o  498.902   18.562  3122.74  231.256  3151.57  401.263  3108.40  282.978  497.744   32.461  497.152   22.794 0.5926819 39.66402 
1 1 1   -4    9   21 o  360.369   14.737  1626.85  132.620  1484.25  230.408  1697.50  162.178  341.814   27.219  367.847   17.655 -26.03357 32.44357 
1 1 1   -4    9   22 o  212.670   11.329  567.562   59.950  488.765  105.700  604.931   72.791  195.841   21.993  219.374   13.351 -23.53226 25.72853 
1 1 1   -4    9   23 o  333.030   24.443  1408.44  201.858   0.0000   0.0000  1408.44  201.858  ?   ?   333.030   24.443 0.000000 24.44303 
1 1 1   -4    9   24 o  155.227   12.959  304.095   49.773  335.245   73.785  278.084   67.425  162.187   18.552  147.491   18.729 14.69539 26.36145 
1 1 1   -4    9   25 o  159.609   10.639  320.447   42.163  318.820   77.677  321.126   50.202  157.694   20.189  159.527   12.707 -1.833405 23.85510 
1 1 1   -4    9   26 o  278.087   12.592  970.355   87.441  968.043  154.575  971.443  106.037  275.348   22.682  277.494   15.362 -2.145660 27.39491 
1 1 1   -4    9   27 o  446.078   17.340  2511.51  193.155  2058.83  335.684  2735.58  236.169  396.472   34.241  464.609   20.356 -68.13712 39.83484 
1 1 1   -4    9   28 o  129.064   10.769  210.399   34.391  150.655   66.521  232.192   40.176  106.391   25.391  135.449   12.002 -29.05772 28.08488 
1 1 1   -4    9   29 o  225.878   14.878  646.029   83.448  535.406  121.993  743.307  114.399  203.009   24.564  241.307   19.142 -38.29807 31.14147 
1 1 1   -4    9   30 o  185.475   10.847  433.367   50.019  481.183   94.449  414.729   58.967  193.568   19.819  181.051   13.132 12.51692 23.77471 
1 1 1   -4    9   31 o  252.978   12.330  805.087   77.893  734.396  141.190  836.016   93.391  238.022   24.086  257.003   14.612 -18.98076 28.17143 
1 1 1   -4    9   32 o  290.634   12.214  1062.73   88.644  1320.73  162.921  954.238  105.652  321.211   20.417  274.347   15.485 46.86365 25.62496 
1 1 1   -4    9   33 o   83.820   12.323   90.267   25.023  101.782   64.881   88.254   27.122   88.262   26.958   82.614   13.621 5.648132 30.20392 
1 1 1   -4    9   34 o  366.445   15.522  1698.67  142.039  1512.39  253.797  1783.63  171.395  338.481   30.349  374.541   18.325 -36.05984 35.45211 
1 1 1   -4    9   36 o   74.498   13.396   72.122   24.005   75.275   79.131   71.803   25.192   81.940   29.834   74.195   14.113 7.745049 33.00314 
1 1 1   -4    9   37 o  132.757   11.312  223.479   37.145  289.902   96.852  212.024   40.221  146.708   27.445  129.035   12.645 17.67383 30.21812 
1 1 1   -4    9   38 o  167.307   11.554  354.613   47.974  350.534  114.485  355.481   52.837  160.242   29.704  167.252   12.747 -7.009628 32.32351 
1 1 1   -4    9   39 o  361.512   14.272  1661.08  128.838  2118.91  245.112  1486.29  151.447  400.761   24.611  339.816   17.910 60.94415 30.43841 
1 1 1   -4    9   40 o  160.188   16.111  332.151   63.571  216.763  118.654  378.609   75.289  121.767   36.293  170.419   17.962 -48.65153 40.49466 
1 1 1   -4    9   41 o  257.337   13.022  846.549   83.412  853.858  174.503  844.385   94.964  247.785   28.735  256.084   14.914 -8.299713 32.37529 
1 1 1   -4    9   42 o  195.064   12.401  487.913   60.095  339.042  140.255  521.390   66.509  146.919   37.958  201.274   13.308 -54.35443 40.22329 
1 1 1   -4    9   43 o  253.584   12.595  825.268   79.758  1098.86  181.805  760.065   88.754  279.293   26.380  241.737   14.774 37.55573 30.23479 
1 1 1   -4    9   44 o  119.844   12.378  186.531   36.509   0.0000   0.0000  186.531   36.509  ?   ?   119.844   12.378 0.000000 12.37756 
1 1 1   -4    9   45 o  144.932   17.269  282.491   61.268  153.975  152.197  307.345   66.931   99.083   39.948  150.698   18.151 -51.61466 43.87782 
1 1 1   -4    9   46 o   39.303   13.989   17.921   17.283 -22.3305  142.610   18.521   17.411   72.141   33.405   39.730   14.051 32.41168 36.23994 
1 1 1   -4    9   47 o  164.385   12.324  353.628   50.221  349.502  179.166  353.979   52.318  125.925   45.017  164.132   12.868 -38.20659 46.81988 
1 1 1   -4   10    1 o  433.342   14.318  2354.12  154.939  2407.41  219.186  2300.91  219.049  437.372   20.068  427.513   20.518 9.859802 28.70083 
1 1 1   -4   10    2 o  241.553   9.7823  729.992   59.007  729.367   83.383  730.619   83.514  240.803   13.926  241.009   13.936 -0.2059937 19.70121 
1 1 1   -4   10    3 o  388.466   13.199  1891.43  128.043  1925.74  181.083  1857.11  181.079  391.248   18.534  384.160   18.876 7.087952 26.45398 
1 1 1   -4   10    4 o  324.304   11.513  1317.12   93.236  1290.10  131.740  1344.23  131.972  320.032   16.541  327.151   16.154 -7.118774 23.12049 
1 1 1   -4   10    5 f  226.068   9.4312  639.406   53.242  633.163   75.198  645.682   75.394  224.324   13.487  226.551   13.386 -2.226669 19.00196 
1 1 1   -4   10    6 o  375.413   12.836  1766.24  120.331  1799.18  170.175  1733.30  170.173  378.218   18.018  371.177   18.359 7.041077 25.72379 
1 1 1   -4   10    7 o  101.113   7.9739  128.624   19.971  117.010   28.012  140.629   28.479   95.921   11.954  105.422   10.979 -9.501007 16.23068 
1 1 1   -4   10    8 o  452.306   14.856  2566.15  167.799  2533.53  237.226  2598.81  237.381  448.361   21.188  454.151   20.931 -5.790131 29.78310 
1 1 1   -4   10    9 o  263.487   10.260  868.627   67.511  891.337   95.536  845.974   95.415  266.257   14.422  259.325   14.795 6.932312 20.66171 
1 1 1   -4   10   10 o  429.824   14.280  2315.19  153.279  2300.37  216.648  2330.05  216.889  427.652   20.287  430.419   20.179 -2.767151 28.61359 
1 1 1   -4   10   11 o  408.983   13.611  2094.89  139.005  2041.54  196.455  2148.38  196.711  403.092   19.517  413.566   19.047 -10.47443 27.27093 
1 1 1   -4   10   12 o  220.740   9.4120  609.222   51.882  609.335   73.374  609.109   73.370  220.201   13.407  220.160   13.409 0.4129028E-01 18.96224 
1 1 1   -4   10   13 o  438.776   14.436  2411.07  158.173  2432.60  223.732  2389.56  223.650  440.078   20.359  436.146   20.535 3.932831 28.91612 
1 1 1   -4   10   14 o  467.861   15.299  2741.86  178.742  2828.62  252.889  2655.25  252.668  474.488   21.343  459.626   22.014 14.86221 30.66153 
1 1 1   -4   10   15 o  213.792   9.3510  571.352   49.923  575.350   70.571  567.347   70.632  214.005   13.271  212.496   13.379 1.509521 18.84443 
1 1 1   -4   10   16 o  193.032   8.8501  465.712   42.661  443.026   60.195  488.604   60.469  187.723   12.919  197.242   12.339 -9.518906 17.86493 
1 1 1   -4   10   17 o  313.343   11.479  1227.98   89.818  1225.93  127.007  1230.04  127.036  312.388   16.338  312.915   16.314 -0.5276794 23.08823 
1 1 1   -4   10   18 o  345.122   12.122  1490.03  104.468  1504.45  147.708  1475.60  147.771  346.464   17.072  342.672   17.325 3.791107 24.32327 
1 1 1   -4   10   19 o  387.138   13.313  1875.81  128.708  1944.61  182.072  1807.08  181.969  393.736   18.518  379.000   19.291 14.73608 26.74008 
1 1 1   -4   10   20 o  534.801   16.930  3585.76  226.094  3779.01  320.141  3393.46  319.351  548.007   23.394  519.081   24.637 28.92627 33.97424 
1 1 1   -4   10   21 o  229.032   10.646  656.119   60.891  765.045  107.900  605.220   73.758  246.310   17.660  219.437   13.526 26.87282 22.24442 
1 1 1   -4   10   22 o  129.781   10.726  212.163   34.449  122.725   62.521  251.153   41.280   96.851   25.500  141.162   11.819 -44.31128 28.10604 
1 1 1   -4   10   23 o  540.809   20.163  3681.91  272.295  3327.61  471.978  3858.66  333.368  507.798   37.485  552.656   24.156 -44.85782 44.59423 
1 1 1   -4   10   24 o  503.699   33.673  3265.03  421.103   0.0000   0.0000  3265.03  421.103  ?   ?   503.699   33.673 0.000000 33.67251 
1 1 1   -4   10   25 o  347.218   14.578  1513.97  126.399  1312.75  220.528  1612.42  154.250  319.759   27.897  357.917   17.258 -38.15857 32.80394 
1 1 1   -4   10   26 o  140.727   11.008  249.714   38.375  143.592   71.222  293.126   45.553  104.128   27.121  152.401   12.068 -48.27271 29.68467 
1 1 1   -4   10   27 o  442.461   17.312  2470.91  191.279  2006.00  332.411  2701.06  233.879  391.234   34.373  461.685   20.286 -70.45065 39.91252 
1 1 1   -4   10   28 o  287.180   13.097  1036.93   93.921  923.046  165.866  1090.68  113.950  267.393   25.135  293.704   15.592 -26.31094 29.57882 
1 1 1   -4   10   29 o  181.294   10.979  414.064   49.471  397.492   91.983  420.809   58.680  175.420   21.444  182.454   12.964 -7.033356 25.05832 
1 1 1   -4   10   30 o   67.500   15.412   59.785   25.408   51.654   51.794   62.362   29.157   67.990   24.215   68.861   17.047 -0.8707428 29.61345 
1 1 1   -4   10   31 o  257.735   12.428  835.704   79.989  779.398  144.300  860.679   96.105  245.378   23.851  260.737   14.821 -15.35864 28.08092 
1 1 1   -4   10   32 o  534.376   20.513  3641.85  273.736  3304.41  477.452  3807.09  334.099  494.480   38.982  543.870   24.600 -49.38947 46.09510 
1 1 1   -4   10   33 o  273.160   11.781  938.412   80.361  1213.71  150.934  829.500   94.935  308.071   19.723  255.844   14.924 52.22675 24.73310 
1 1 1   -4   10   34 o  297.116   16.165  1120.93  119.486   0.0000   0.0000  1120.93  119.486  ?   ?   297.116   16.165 0.000000 16.16506 
1 1 1   -4   10   35 o  293.550   13.433  1086.87   98.473  1064.21  182.106  1096.23  117.064  285.602   25.813  293.772   16.018 -8.169708 30.37870 
1 1 1   -4   10   36 o  194.538   19.270  487.343   92.383   0.0000   0.0000  487.343   92.383  ?   ?   194.538   19.270 0.000000 19.27018 
1 1 1   -4   10   37 o  176.593   11.560  394.360   50.698  352.220  112.242  405.161   56.825  161.600   28.873  178.749   12.816 -17.14926 31.58980 
1 1 1   -4   10   38 o  154.641   11.426  303.003   43.811  350.495  107.573  293.560   47.969  161.203   27.722  151.923   12.762 9.279892 30.51866 
1 1 1   -4   10   39 o   73.006   13.577   69.669   23.840  215.543   93.700   59.572   24.652  124.296   30.432   67.146   15.072 57.15041 33.96000 
1 1 1   -4   10   40 o  190.882   10.949  461.906   51.973  780.521  130.699  402.062   56.644  243.453   21.727  177.525   12.865 65.92767 25.24979 
1 1 1   -4   10   41 o  249.205   15.053  799.278   93.236  1116.04  162.446  643.670  113.857  289.409   22.658  220.457   20.933 68.95183 30.84774 
1 1 1   -4   10   42 o  159.254   11.627  324.450   45.919  343.934  126.589  321.497   49.275  151.391   34.281  158.204   12.576 -6.813461 36.51552 
1 1 1   -4   10   43 o  169.374   11.934  368.470   50.152  345.000  138.924  371.987   53.778  146.922   37.683  169.843   12.773 -22.92043 39.78906 
1 1 1   -4   10   44 o   67.078   13.772   60.159   22.297  255.169  125.493   53.802   22.657  124.463   37.376   63.170   14.648 61.29285 40.14399 
1 1 1   -4   10   45 f  125.068   11.993  202.900   36.996  190.169  144.115  203.798   38.279  106.284   39.975  125.184   12.409 -18.90063 41.85676 
1 1 1   -4   10   46 o  124.927   17.664  212.388   53.570   81.893  159.485  228.983   56.875   87.569   38.320  129.544   18.074 -41.97465 42.36804 
1 1 1   -4   10   47 o  140.772   11.997  258.689   41.769  406.283  175.806  249.859   43.001  139.923   44.623  138.018   12.616 1.904282 46.37205 
1 1 1   -4   10   48 o  103.090   12.577  140.946   31.706   87.273  177.596  142.713   32.223   84.874   38.539  103.678   12.712 -18.80401 40.58109 
1 1 1   -4   11    1 o  191.681   8.8469  459.354   42.347  487.086   59.947  431.732   59.828  196.887   12.254  185.235   13.017 11.65131 17.87677 
1 1 1   -4   11    2 o  302.445   15.784  1150.15  118.794  1202.42  168.266  1098.21  167.736  308.268   22.003  294.352   23.002 13.91678 31.83139 
1 1 1   -4   11    3 o  372.799   12.795  1740.34  119.117  1798.03  168.485  1682.69  168.429  378.410   17.830  365.531   18.512 12.87839 25.70233 
1 1 1   -4   11    4 o  236.277   9.6632  698.237   57.016  715.535   80.573  680.889   80.692  238.604   13.579  232.695   13.951 5.909775 19.46813 
1 1 1   -4   11    5 o  367.880   12.693  1694.83  116.610  1691.85  164.821  1697.81  165.003  367.009   17.984  367.655   17.972 -0.6466370 25.42485 
1 1 1   -4   11    6 o  513.053   16.462  3302.99  210.914  3281.44  298.190  3324.57  298.366  510.084   23.410  513.455   23.270 -3.371643 33.00782 
1 1 1   -4   11    7 o  415.370   13.573  2161.41  140.788  2069.12  198.887  2254.10  199.323  405.669   19.633  423.530   18.846 -17.86099 27.21443 
1 1 1   -4   11    8 o  338.567   11.958  1434.82  101.101  1407.65  142.889  1462.06  143.068  334.471   17.165  341.353   16.784 -6.881317 24.00723 
1 1 1   -4   11    9 o  327.421   13.470  1342.61  110.136  1336.75  190.871  1345.54  134.850  324.839   23.693  327.111   16.562 -2.272034 28.90821 
1 1 1   -4   11   10 o  339.085   13.826  1440.01  117.072  1386.42  143.294  1547.62  203.029  331.977   17.345  349.773   23.379 -17.79581 29.11085 
1 1 1   -4   11   11 o  517.140   16.633  3353.26  214.793  3296.86  303.643  3409.74  303.884  511.654   23.765  520.410   23.384 -8.755615 33.34014 
1 1 1   -4   11   12 o  481.278   15.444  2902.11  185.614  2752.24  262.261  3052.52  262.735  467.789   22.451  492.819   21.349 -25.03012 30.98104 
1 1 1   -4   11   13 o  356.286   12.325  1588.30  109.657  1710.11  155.232  1466.98  154.924  369.358   16.830  341.501   18.233 27.85742 24.81281 
1 1 1   -4   11   14 o  530.034   16.947  3521.25  224.315  3473.66  317.140  3568.91  317.318  525.398   24.172  532.606   23.858 -7.208130 33.96321 
1 1 1   -4   11   15 o  537.417   16.998  3619.80  228.117  3560.78  322.448  3678.93  322.763  531.977   24.273  540.794   23.900 -8.817017 34.06437 
1 1 1   -4   11   16 o  668.411   20.684  5609.32  345.240  5539.54  488.102  5679.17  488.384  662.351   29.510  670.735   29.158 -8.384583 41.48550 
1 1 1   -4   11   17 o  727.716   22.510  6655.85  409.059  6608.22  578.384  6703.53  578.608  722.676   32.050  727.935   31.830 -5.258423 45.17019 
1 1 1   -4   11   18 o  238.920   9.8551  713.655   58.798  719.568   83.038  707.709   83.269  239.348   13.954  237.345   14.113 2.003357 19.84626 
1 1 1   -4   11   19 o  419.323   14.152  2201.53  148.188  2220.07  209.560  2182.99  209.579  420.509   19.956  416.962   20.128 3.546783 28.34418 
1 1 1   -4   11   20 o  539.425   17.189  3649.06  231.541  3652.50  327.404  3645.61  327.492  538.499   24.347  537.985   24.377 0.5141602 34.45318 
1 1 1   -4   11   21 o  263.275   10.053  866.869   66.091  883.250   93.477  850.494   93.457  265.162   14.168  260.153   14.443 5.009491 20.23190 
1 1 1   -4   11   22 o  308.352   13.344  1191.05  102.747  1125.66  179.075  1223.15  125.452  297.689   24.301  311.828   16.166 -14.13919 29.18708 
1 1 1   -4   11   23 o  545.087   19.498  3739.38  265.406  4043.50  461.295  3588.90  324.495  561.780   33.028  532.818   24.388 28.96149 41.05604 
1 1 1   -4   11   24 o  236.511   14.336  704.425   84.268   0.0000   0.0000  704.425   84.268  ?   ?   236.511   14.336 0.000000 14.33567 
1 1 1   -4   11   25 o  346.586   25.277  1534.05  217.262   0.0000   0.0000  1534.05  217.262  ?   ?   346.586   25.277 0.000000 25.27704 
1 1 1   -4   11   26 o  202.753   10.042  514.939   50.846  658.661   93.712  454.977   60.530  228.092   16.566  189.963   12.835 38.12912 20.95638 
1 1 1   -4   11   27 o  166.889   10.921  350.753   45.262  289.577   83.500  376.207   53.861  149.178   23.166  172.631   12.581 -23.45303 26.36169 
1 1 1   -4   11   28 o  194.266   11.487  475.386   55.480  365.058  100.222  524.132   66.618  167.243   24.744  203.748   13.164 -36.50487 28.02791 
1 1 1   -4   11   29 o  403.993   16.407  2062.23  165.521  1783.69  289.055  2198.13  201.901  368.631   31.709  416.102   19.431 -47.47128 37.18900 
1 1 1   -4   11   30 o   89.962   11.596  103.339   25.443  119.134   57.636   99.516   28.356   94.605   24.276   87.942   13.330 6.662323 27.69494 
1 1 1   -4   11   31 o  266.507   14.753  898.940   97.804  1002.89  144.589  811.259  132.794  279.719   20.849  251.256   21.367 28.46277 29.85408 
1 1 1   -4   11   32 o  518.404   19.919  3423.04  257.863  3238.57  450.331  3513.04  314.533  491.436   36.966  522.792   24.093 -31.35577 44.12456 
1 1 1   -4   11   33 o  131.671   11.528  219.599   37.523  119.038   80.032  247.934   42.482   95.568   30.067  139.841   12.290 -44.27296 32.48140 
1 1 1   -4   11   34 o  492.781   35.004  3243.86  427.950  3243.86  427.950   0.0000   0.0000  492.781   35.004  ?   ?  0.000000 35.00441 
1 1 1   -4   11   35 o  359.882   15.043  1637.55  135.191  1607.75  243.117  1650.89  162.658  350.264   28.030  359.890   18.158 -9.625763 33.39735 
1 1 1   -4   11   36 o  287.832   12.527  1043.97   90.039  1272.65  171.995  957.645  105.676  314.086   22.069  274.599   15.474 39.48642 26.95335 
1 1 1   -4   11   37 o  248.534   21.225  798.483  130.464   0.0000   0.0000  798.483  130.464  ?   ?   248.534   21.225 0.000000 21.22458 
1 1 1   -4   11   38 o  221.132   12.473  619.177   68.598  473.139  139.716  665.564   78.743  186.372   31.117  228.930   13.839 -42.55730 34.05592 
1 1 1   -4   11   39 o  198.791   11.207  500.052   55.405  689.904  128.771  456.922   61.377  229.222   22.799  189.543   13.047 39.67854 26.26785 
1 1 1   -4   11   40 o  221.343   12.008  622.099   66.126  744.911  145.795  590.292   74.197  235.986   25.127  214.986   13.895 21.00037 28.71276 
1 1 1   -4   11   41 o  228.185   11.941  662.648   67.806  860.154  152.418  613.916   75.710  252.874   24.442  218.865   13.925 34.00856 28.13006 
1 1 1   -4   11   42 o  148.330   15.278  286.296   55.782  379.321  124.693  263.021   62.371  161.208   32.103  140.956   18.140 20.25140 36.87347 
1 1 1   -4   11   43 o   82.871   12.824   89.928   25.681  196.423  114.043   84.239   26.358  112.457   35.948   79.899   13.704 32.55866 38.47132 
1 1 1   -4   11   44 o   54.635   14.708   40.087   20.511  113.990  121.957   37.935   20.807   92.000   36.195   53.248   15.005 38.75129 39.18223 
1 1 1   -4   11   45 o  184.403   12.118  439.044   55.490  540.898  162.185  425.541   59.054  182.950   36.776  181.004   13.155 1.945923 39.05755 
1 1 1   -4   11   46 o   45.486   14.733   26.622   19.108 -109.0368  142.318   29.112   19.283   64.681   30.964   47.127   14.747 17.55415 34.29685 
1 1 1   -4   11   47 o  106.266   18.627  156.967   47.629   0.0000   0.0000  156.967   47.629  ?   ?   106.266   18.627 0.000000 18.62730 
1 1 1   -4   11   48 o  141.803   12.245  263.957   42.937  298.506  188.883  262.075   44.091  113.586   44.931  141.064   12.651 -27.47874 46.67823 
1 1 1   -4   12    1 o  499.649   15.948  3129.36  198.989  3255.95  281.630  3003.16  281.197  508.727   22.169  488.429   23.055 20.29755 31.98397 
1 1 1   -4   12    2 o  300.331   11.076  1128.38   83.066  1176.88  117.551  1080.01  117.394  306.057   15.430  293.073   16.102 12.98438 22.30197 
1 1 1   -4   12    3 o  484.213   15.626  2938.84  188.947  3026.38  267.292  2851.41  267.129  490.471   21.823  475.973   22.474 14.49728 31.32668 
1 1 1   -4   12    4 o  466.964   21.637  2743.13  252.313  2619.79  356.590  2866.80  357.061  453.357   31.697  474.759   30.275 -21.40240 43.83261 
1 1 1   -4   12    5 o  134.294   8.2309  226.273   27.470  235.980   38.632  216.346   39.067  136.860   11.408  130.925   12.086 5.935303 16.61920 
1 1 1   -4   12    6 o  187.268   8.8092  438.422   41.196  447.790   58.157  428.988   58.362  188.737   12.409  184.681   12.733 4.056168 17.77904 
1 1 1   -4   12    7 o  442.630   14.648  2454.65  161.910  2495.49  228.953  2413.80  228.997  445.557   20.577  438.152   20.929 7.404572 29.35080 
1 1 1   -4   12    8 o  430.673   19.655  2329.92  211.381   0.0000   0.0000  2329.92  211.381  ?   ?   430.673   19.655 0.000000 19.65478 
1 1 1   -4   12    9 o  454.947   21.029  2601.75  238.906  2601.75  238.906   0.0000   0.0000  454.947   21.029  ?   ?  0.000000 21.02885 
1 1 1   -4   12   10 o  237.517   9.7184  705.371   57.642  693.356   81.404  717.453   81.632  234.902   13.940  238.984   13.736 -4.082123 19.57057 
1 1 1   -4   12   11 o  577.713   18.268  4187.23  263.551  4121.12  372.536  4253.46  372.898  571.715   26.094  580.906   25.706 -9.190857 36.62903 
1 1 1   -4   12   12 o  298.906   11.099  1117.47   82.843  1087.10  116.969  1148.03  117.348  294.116   15.986  302.316   15.597 -8.199554 22.33421 
1 1 1   -4   12   13 f  229.383   9.5413  657.780   54.654  699.814   77.355  615.883   77.230  236.101   13.173  221.356   14.044 14.74500 19.25511 
1 1 1   -4   12   14 o  294.578   11.012  1085.23   81.006  1153.19  114.577  1017.31  114.543  303.445   15.121  284.488   16.190 18.95654 22.15299 
1 1 1   -4   12   15 o  1242.23   37.558 19626.04  1165.09 19423.45  1647.41 19828.77  1647.95  1224.01   53.897  1237.18   53.341 -13.17419 75.82994 
1 1 1   -4   12   16 o  206.145   9.3617  531.214   48.192  553.876   68.223  508.643   68.086  209.978   13.076  201.129   13.637 8.849030 18.89264 
1 1 1   -4   12   17 o  486.990   15.770  2971.01  191.777  2913.07  271.048  3029.09  271.381  481.384   22.548  490.937   22.136 -9.552673 31.59769 
1 1 1   -4   12   18 o  236.158   9.2873  697.178   54.770  654.125   77.106  741.023   77.812  228.193   13.593  243.000   12.869 -14.80687 18.71818 
1 1 1   -4   12   19 o  691.797   21.503  6015.56  371.475  5869.90  525.074  6161.52  525.615  680.969   30.878  697.898   30.160 -16.92926 43.16272 
1 1 1   -4   12   20 o  414.952   13.967  2156.42  144.723  2112.84  204.495  2200.14  204.844  410.091   19.969  418.525   19.600 -8.433868 27.98042 
1 1 1   -4   12   21 o  358.965   12.646  1613.29  113.358  1619.72  160.291  1606.86  160.335  359.191   17.870  357.298   18.028 1.893097 25.38433 
1 1 1   -4   12   22 o  344.016   12.374  1482.05  106.305  1469.93  150.217  1494.21  150.459  341.633   17.668  344.470   17.549 -2.836700 24.90275 
1 1 1   -4   12   23 o  282.384   12.776  999.210   90.091  840.607  156.941  1077.16  110.024  256.594   24.802  292.600   15.109 -36.00519 29.04195 
1 1 1   -4   12   24 o  159.328   10.480  319.200   41.464  351.041   75.688  305.547   49.562  165.949   18.583  155.583   12.872 10.36505 22.60615 
1 1 1   -4   12   25 o  261.256   21.481  869.104  138.904   0.0000   0.0000  869.104  138.904  ?   ?   261.256   21.481 0.000000 21.48138 
1 1 1   -4   12   26 o  304.949   23.388  1188.62  176.747   0.0000   0.0000  1188.62  176.747  ?   ?   304.949   23.388 0.000000 23.38812 
1 1 1   -4   12   27 o  396.502   15.996  1981.74  158.384  1842.11  276.338  2050.05  193.281  376.933   29.596  402.429   19.233 -25.49564 35.29626 
1 1 1   -4   12   28 o  232.199   12.216  679.204   70.584  514.160  125.973  754.729   85.217  198.609   26.026  244.471   14.017 -45.86186 29.56068 
1 1 1   -4   12   29 o  272.136   12.943  931.623   87.960  794.128  156.205  995.466  106.440  247.362   25.661  280.499   15.253 -33.13666 29.85228 
1 1 1   -4   12   30 o  244.903   12.647  756.485   77.083  543.231  137.880  853.440   92.968  203.208   27.908  259.791   14.387 -56.58275 31.39808 
1 1 1   -4   12   31 o  199.994   11.126  503.971   55.344  549.735  104.791  486.268   65.176  206.736   20.572  196.039   13.394 10.69667 24.54745 
1 1 1   -4   12   32 o  326.729   17.080  1356.12  138.868  1410.81  202.083  1307.19  191.152  330.245   24.683  318.013   24.253 12.23117 34.60434 
1 1 1   -4   12   33 o  312.770   16.616  1242.27  129.311   0.0000   0.0000  1242.27  129.311  ?   ?   312.770   16.616 0.000000 16.61574 
1 1 1   -4   12   34 o  505.451   19.024  3251.59  240.120  3485.18  422.715  3140.31  291.763  512.558   33.204  494.180   23.643 18.37787 40.76150 
1 1 1   -4   12   35 o  187.000   11.114  441.137   51.665  486.629  107.658  427.525   58.889  193.457   22.717  183.751   12.916 9.705338 26.13231 
1 1 1   -4   12   36 o  308.901   13.550  1204.18  104.519  1268.91  194.333  1177.83  123.978  312.183   25.141  304.343   16.373 7.839905 30.00257 
1 1 1   -4   12   37 o  271.340   13.348  929.559   90.445  782.588  172.331  985.432  106.255  242.583   29.024  278.481   15.338 -35.89787 32.82807 
1 1 1   -4   12   38 o  214.286   20.107  594.200  106.338   0.0000   0.0000  594.200  106.338  ?   ?   214.286   20.107 0.000000 20.10734 
1 1 1   -4   12   39 o  154.488   11.497  302.779   44.038  312.552  112.146  300.997   47.884  150.231   30.924  153.792   12.578 -3.561035 33.38438 
1 1 1   -4   12   40 o   78.498   13.860   80.545   26.176  -4.0384   93.771   87.694   27.260   67.501   29.464   82.002   13.802 -14.50169 32.53701 
1 1 1   -4   12   41 o  121.433   11.736  188.649   35.145  241.200  111.331  182.832   37.039  128.377   34.137  119.303   12.624 9.073639 36.39651 
1 1 1   -4   12   42 o  111.541   11.862  159.965   32.533  126.634  111.130  163.089   34.023   96.667   35.330  112.514   12.310 -15.84715 37.41357 
1 1 1   -4   12   43 o   56.397   17.276   41.937   26.624   64.031  109.444   40.548   27.448   81.753   33.533   55.761   17.616 25.99230 37.87848 
1 1 1   -4   12   44 o  102.091   12.125  135.296   30.307  149.905  125.318  134.389   31.234  100.022   37.344  101.600   12.580 -1.577499 39.40612 
1 1 1   -4   12   45 o   97.849   12.346  124.928   29.496  171.463  132.671  122.509   30.253  103.438   38.463   96.715   12.844 6.723747 40.55053 
1 1 1   -4   12   46 o   48.586   14.593   31.326   19.128 -46.3843  139.325   32.819   19.311   70.021   32.625   49.594   14.607 20.42657 35.74568 
1 1 1   -4   12   47 o  132.484   12.146  228.946   39.735  124.571  166.102  235.282   40.923   92.843   39.868  134.223   12.348 -41.37930 41.73649 
1 1 1   -4   12   48 o   74.097   19.509   78.735   36.594   0.0000   0.0000   78.735   36.594  ?   ?    74.097   19.509 0.000000 19.50869 
1 1 1   -4   13    1 o  724.955   22.267  6611.49  403.116  6776.98  570.362  6446.32  569.823  731.335   31.231  713.010   32.003 18.32507 44.71656 
1 1 1   -4   13    2 o  296.770   11.010  1101.69   81.592  1148.66  115.573  1055.01  115.205  302.383   15.356  289.684   15.987 12.69913 22.16763 
1 1 1   -4   13    3 o  728.920   22.377  6684.36  407.321  6882.08  576.254  6486.93  575.823  736.972   31.312  715.187   32.242 21.78485 44.94420 
1 1 1   -4   13    4 o  226.368   9.5854  640.699   54.185  660.435   76.654  620.988   76.604  229.284   13.447  222.262   13.871 7.021759 19.31893 
1 1 1   -4   13    5 o  549.667   17.498  3789.83  240.181  3849.23  339.659  3730.43  339.676  552.717   24.609  544.042   25.002 8.675049 35.08153 
1 1 1   -4   13    6 o  322.189   16.439  1304.72  131.818  1182.20  186.066  1428.18  186.775  305.355   24.610  336.216   22.374 -30.86105 33.26019 
1 1 1   -4   13    7 o  258.108   10.201  833.097   65.748  904.393   93.097  762.153   92.867  268.386   13.939  246.178   15.181 22.20776 20.60917 
1 1 1   -4   13    8 o  856.966   26.226  9262.43  561.229  8970.63  793.198  9554.96  794.200  838.808   37.868  866.234   36.715 -27.42529 52.74421 
1 1 1   -4   13    9 o  154.096   8.4648  297.689   32.449  301.692   45.463  293.533   46.328  154.835   11.848  152.672   12.255 2.163071 17.04568 
1 1 1   -4   13   10 o  422.431   14.096  2234.41  148.695  2283.05  210.218  2185.70  210.355  426.426   19.741  417.182   20.192 9.243530 28.23877 
1 1 1   -4   13   11 o  481.566   15.657  2905.50  188.281  2916.46  266.204  2894.53  266.336  481.651   22.133  479.823   22.228 1.828033 31.36764 
1 1 1   -4   13   12 o  465.117   15.076  2709.59  175.108  2687.18  247.440  2732.08  247.840  462.453   21.427  466.320   21.283 -3.867126 30.20051 
1 1 1   -4   13   13 o  805.947   24.597  8176.86  495.038  8233.70  700.155  8120.03  700.024  805.459   34.810  799.791   35.050 5.668518 49.39840 
1 1 1   -4   13   14 o  483.665   15.580  2930.43  188.180  2873.37  265.933  2987.65  266.321  478.119   22.273  487.592   21.873 -9.473145 31.21714 
1 1 1   -4   13   15 o  584.230   18.443  4281.33  269.078  4385.64  380.584  4177.08  380.482  590.009   25.831  575.681   26.467 14.32758 36.98288 
1 1 1   -4   13   16 o  540.867   17.161  3667.27  231.783  3529.32  327.503  3805.72  328.078  529.450   24.771  549.951   23.889 -20.50092 34.41349 
1 1 1   -4   13   17 o  656.196   20.477  5407.83  335.543  5276.08  474.257  5539.90  474.803  646.163   29.391  662.302   28.708 -16.13940 41.08554 
1 1 1   -4   13   18 o  137.339   8.7522  236.725   29.860  244.361   42.060  228.966   42.400  139.213   12.222  134.659   12.761 4.554352 17.67006 
1 1 1   -4   13   19 o  310.601   11.536  1207.02   89.476  1181.51  126.378  1232.65  126.700  306.528   16.572  313.151   16.258 -6.622498 23.21521 
1 1 1   -4   13   20 o  456.025   15.106  2606.38  172.027  2617.07  243.155  2595.67  243.411  456.102   21.349  454.216   21.460 1.886444 30.27028 
1 1 1   -4   13   21 o  190.137   9.4963  452.143   45.089  464.446   63.558  439.678   63.975  192.095   13.332  186.820   13.811 5.274628 19.19613 
1 1 1   -4   13   22 o  742.570   23.026  6960.31  426.983  6751.21  603.495  7169.89  604.196  727.074   33.239  749.760   32.270 -22.68646 46.32707 
1 1 1   -4   13   23 o  187.669   9.6338  441.854   44.996  466.486   63.605  417.176   63.663  192.438   13.318  181.824   14.132 10.61359 19.41852 
1 1 1   -4   13   24 o  183.690   11.191  424.252   51.090  312.093   90.319  477.027   61.955  155.168   24.090  194.621   12.820 -39.45309 27.28902 
1 1 1   -4   13   25 o  229.882   14.575  666.669   83.238  649.173  119.891  682.951  115.655  225.457   21.557  231.607   20.199 -6.149109 29.54200 
1 1 1   -4   13   26 o  134.017   19.040  231.393   61.929   0.0000   0.0000  231.393   61.929  ?   ?   134.017   19.040 0.000000 19.04014 
1 1 1   -4   13   27 o  174.641   11.376  384.314   49.340  220.363   89.087  456.854   59.258  128.470   28.513  190.302   12.540 -61.83186 31.14902 
1 1 1   -4   13   28 o  379.213   15.563  1813.93  147.376  1633.40  257.380  1901.99  179.763  354.196   29.364  387.474   18.578 -33.27771 34.74765 
1 1 1   -4   13   29 o  341.532   14.739  1470.78  125.709  1227.41  220.282  1588.31  153.083  306.465   29.134  354.263   17.304 -47.79736 33.88566 
1 1 1   -4   13   30 o  231.223   12.351  674.265   71.056  513.506  128.000  745.870   85.427  197.921   26.569  242.857   14.148 -44.93602 30.10095 
1 1 1   -4   13   31 o  423.200   16.570  2266.52  175.109  2333.60  307.843  2234.43  212.909  422.531   29.358  418.769   20.360 3.762482 35.72667 
1 1 1   -4   13   32 o  248.288   11.823  775.188   73.308  924.190  136.422  714.695   86.924  268.476   20.503  237.501   14.729 30.97549 25.24537 
1 1 1   -4   13   33 o  287.383   24.412  1069.99  173.535  1069.99  173.535   0.0000   0.0000  287.383   24.412  ?   ?  0.000000 24.41213 
1 1 1   -4   13   34 f  330.025   13.599  1373.37  112.076  1644.42  204.395  1256.84  134.019  357.196   23.038  314.366   17.137 42.82959 28.71217 
1 1 1   -4   13   35 o  185.964   11.385  436.499   52.615  476.615  109.332  424.408   60.022  191.207   23.385  183.017   13.222 8.189453 26.86436 
1 1 1   -4   13   36 o  249.645   12.335  785.058   76.898  866.415  150.135  756.125   89.534  258.323   23.532  244.112   14.757 14.21100 27.77623 
1 1 1   -4   13   37 o  221.625   11.170  619.586   61.618  862.133  131.363  551.164   69.770  258.649   20.506  208.503   13.472 50.14555 24.53580 
1 1 1   -4   13   38 o  405.399   16.478  2090.65  166.818  2113.17  302.074  2080.77  200.097  397.697   30.653  402.741   19.896 -5.044159 36.54385 
1 1 1   -4   13   39 o  264.219   22.121  911.179  144.611   0.0000   0.0000  911.179  144.611  ?   ?   264.219   22.121 0.000000 22.12076 
1 1 1   -4   13   40 o  211.422   11.608  566.826   61.050  764.894  139.766  520.125   67.866  240.319   23.594  201.935   13.537 38.38422 27.20130 
1 1 1   -4   13   41 o  172.505   11.766  378.959   50.383  407.846  126.626  373.526   54.918  169.963   30.976  170.902   12.965 -0.9390564 33.57944 
1 1 1   -4   13   42 o  104.762   11.977  141.336   30.769  314.130  116.072  128.275   31.911  146.453   32.579   99.417   13.178 47.03529 35.14340 
1 1 1   -4   13   43 o   48.441   14.604   30.616   19.131  132.698  113.977   27.657   19.407   97.125   35.737   46.573   14.823 50.55178 38.68932 
1 1 1   -4   13   44 f   82.649   17.102   92.594   34.132  188.258  125.271   84.923   35.475  108.962   37.749   78.701   18.383 30.26111 41.98733 
1 1 1   -4   13   45 o   55.664   14.779   41.762   20.888 -16.4266  129.532   43.316   21.165   72.208   32.836   56.660   14.797 15.54726 36.01574 
1 1 1   -4   13   46 f   58.056   14.574   45.669   21.097  200.721  144.355   42.285   21.326  107.946   40.124   55.872   14.979 52.07402 42.82891 
1 1 1   -4   13   47 o   87.195   13.035  100.741   27.512   85.011  158.878  101.227   27.934   87.441   38.256   87.340   13.221 0.1007462 40.47580 
1 1 1   -4   13   48 o   76.257   13.756   78.406   25.232  179.308  176.165   76.292   25.495   98.509   41.632   75.059   14.120 23.44947 43.96169 
1 1 1   -4   14    1 f  141.708   11.363  252.849   39.874  297.472   57.094  210.360   55.712  153.343   15.106  128.259   17.881 25.08319 23.40744 
1 1 1   -4   14    2 o  285.952   10.718  1022.77   76.534  1060.29  108.489  985.600  107.985  290.519   15.005  280.013   15.503 10.50571 21.57585 
1 1 1   -4   14    3 o  748.798   22.688  7055.76  424.243  7313.19  600.348  6798.98  599.593  759.543   31.652  731.946   32.804 27.59692 45.58448 
1 1 1   -4   14    4 o  479.525   15.000  2880.80  179.623  3095.83  254.335  2666.81  253.718  496.371   20.519  460.468   22.065 35.90247 30.13094 
1 1 1   -4   14    5 o  623.791   19.544  4886.15  304.436  4996.05  430.644  4776.37  430.431  629.045   27.415  614.904   28.031 14.14044 39.20890 
1 1 1   -4   14    6 o  450.125   14.683  2537.86  165.048  2475.92  233.256  2599.98  233.569  443.854   21.045  454.905   20.561 -11.05161 29.42162 
1 1 1   -4   14    7 f  107.799   11.957  147.176   31.644   0.0000   0.0000  147.176   31.644  ?   ?   107.799   11.957 0.000000 11.95671 
1 1 1   -4   14    8 o  538.106   35.198  3695.20  470.374  3695.20  470.374   0.0000   0.0000  538.106   35.198  ?   ?  0.000000 35.19846 
1 1 1   -4   14    9 o  716.326   31.581  6498.54  564.917  6781.24  799.208  6216.26  798.619  725.561   44.322  693.559   46.378 32.00189 64.15165 
1 1 1   -4   14   10 o  220.883   9.4700  609.957   52.235  591.553   73.596  628.640   74.151  216.951   13.654  223.706   13.334 -6.755249 19.08488 
1 1 1   -4   14   11 o  621.263   19.480  4844.90  302.218  4889.71  427.388  4800.08  427.413  622.492   27.494  616.700   27.754 5.792786 39.06654 
1 1 1   -4   14   12 o  306.007   11.229  1171.24   85.809  1172.41  121.206  1170.07  121.500  305.474   15.944  305.164   16.000 0.3106384 22.58782 
1 1 1   -4   14   13 f  278.370   10.739  969.081   74.652  956.229  105.314  982.061  105.835  275.864   15.348  279.591   15.216 -3.727814 21.61228 
1 1 1   -4   14   14 o  177.468   8.9841  394.693   39.685  411.480   55.774  377.479   56.479  180.918   12.420  173.169   13.159 7.749146 18.09499 
1 1 1   -4   14   15 o  661.336   20.645  5493.67  340.955  5616.37  482.255  5371.04  482.111  666.759   28.964  651.860   29.617 14.89832 41.42558 
1 1 1   -4   14   16 o  593.911   18.462  4425.70  273.806  4359.26  386.996  4492.30  387.447  587.953   26.358  596.938   25.992 -8.985229 37.01765 
1 1 1   -4   14   17 o  242.904   10.052  737.803   60.975  740.504   85.947  735.066   86.520  242.752   14.240  241.839   14.392 0.9129639 20.24607 
1 1 1   -4   14   18 o  713.138   22.102  6398.04  393.602  6292.50  556.408  6503.74  556.865  704.461   31.629  716.359   31.129 -11.89868 44.37821 
1 1 1   -4   14   19 o  160.103   9.0460  321.503   36.018  325.797   50.652  317.111   51.228  160.820   12.716  158.611   13.050 2.209900 18.22082 
1 1 1   -4   14   20 f  145.846   9.0767  267.010   32.894  278.468   46.140  255.168   46.908  148.604   12.551  142.104   13.376 6.499908 18.34256 
1 1 1   -4   14   21 o  536.888   17.288  3620.57  231.787  3613.93  327.645  3627.22  327.948  534.786   24.534  535.774   24.512 -0.9879761 34.68069 
1 1 1   -4   14   22 o  492.976   16.174  3052.09  199.104  3032.02  281.410  3072.20  281.742  489.902   23.003  493.168   22.877 -3.266479 32.44227 
1 1 1   -4   14   23 o  304.388   11.697  1160.81   88.908  1174.04  125.615  1147.53  125.856  305.158   16.546  301.642   16.775 3.516052 23.56173 
1 1 1   -4   14   24 o  172.935   9.7016  375.572   41.727  439.564   59.014  311.593   59.008  186.775   12.729  156.730   15.271 30.04512 19.88005 
1 1 1   -4   14   25 o  283.136   12.505  1005.96   88.417  975.562  154.821  1020.66  107.709  276.389   22.630  284.461   15.218 -8.072723 27.27080 
1 1 1   -4   14   26 o  259.052   21.610  857.582  138.519   0.0000   0.0000  857.582  138.519  ?   ?   259.052   21.610 0.000000 21.61005 
1 1 1   -4   14   27 o  541.341   36.734  3871.10  493.648   0.0000   0.0000  3871.10  493.648  ?   ?   541.341   36.734 0.000000 36.73442 
1 1 1   -4   14   28 o  456.249   17.631  2634.26  200.882  2570.72  349.764  2665.53  245.390  443.102   31.822  457.473   21.480 -14.37112 38.39297 
1 1 1   -4   14   29 f  268.495   12.704  906.813   85.180  846.177  151.386  934.904  103.038  255.924   23.967  271.767   15.244 -15.84261 28.40416 
1 1 1   -4   14   30 o  114.770   11.705  167.236   33.076  120.073   67.496  182.141   37.944   95.127   27.102  119.622   12.907 -24.49487 30.01812 
1 1 1   -4   14   31 o  392.798   15.908  1950.75  156.039  1913.60  274.405  1968.51  189.694  382.631   28.932  393.424   19.308 -10.79333 34.78335 
1 1 1   -4   14   32 f  171.401   12.982  372.038   55.151   0.0000   0.0000  372.038   55.151  ?   ?   171.401   12.982 0.000000 12.98153 
1 1 1   -4   14   33 o  241.720   12.280  737.128   73.878  811.694  138.019  707.184   87.464  250.832   22.266  236.169   14.907 14.66304 26.79552 
1 1 1   -4   14   34 o  107.299   14.802  148.078   38.606  172.003   77.129  140.080   44.594  112.924   27.587  103.634   17.877 9.289452 32.87351 
1 1 1   -4   14   35 o  146.472   11.084  271.214   40.242  344.960   93.376  254.392   44.596  162.136   23.768  141.540   12.754 20.59592 26.97407 
1 1 1   -4   14   36 o  156.598   11.920  310.475   46.262  291.959  103.040  315.150   51.773  147.054   29.090  157.519   13.286 -10.46519 31.98000 
1 1 1   -4   14   37 o   60.779   15.300   48.604   23.205   70.543   85.001   46.837   24.122   81.937   30.724   59.731   15.893 22.20569 34.59087 
1 1 1   -4   14   38 o  519.250   19.657  3456.58  254.879  3648.14  452.970  3367.82  308.319  517.822   35.239  509.086   24.253 8.736633 42.77857 
1 1 1   -4   14   39 o   75.202   14.223   74.012   25.731  170.394   97.233   66.754   26.683  110.826   32.814   71.118   15.465 39.70741 36.27538 
1 1 1   -4   14   40 o  158.352   19.242  328.126   74.526   0.0000   0.0000  328.126   74.526  ?   ?   158.352   19.242 0.000000 19.24213 
1 1 1   -4   14   41 o  162.135   11.921  335.091   47.927  300.037  125.512  341.074   51.856  142.914   35.362  163.326   12.817 -20.41162 37.61299 
1 1 1   -4   14   42 o  132.781   11.630  225.640   38.175  338.933  123.171  213.601   40.153  151.844   33.392  128.878   12.639 22.96600 35.70382 
1 1 1   -4   14   43 o  154.447   11.446  305.367   43.830  407.384  130.269  292.344   46.544  165.820   32.622  150.751   12.476 15.06914 34.92585 
1 1 1   -4   14   44 o  127.760   11.921  210.515   37.593  277.587  135.245  204.899   39.135  130.119   38.740  125.788   12.629 4.330833 40.74622 
1 1 1   -4   14   45 f  124.660   15.998  206.373   48.653  334.969  144.618  189.960   51.665  140.795   39.517  118.606   18.010 22.18891 43.42778 
1 1 1   -4   14   46 o   86.442   13.207   98.702   27.603   26.307  146.715  101.358   28.105   80.144   35.822   87.601   13.263 -7.457664 38.19825 
1 1 1   -4   14   47 o  116.965   11.968  178.302   34.463  342.841  165.946  170.886   35.231  132.789   43.441  114.244   12.556 18.54495 45.21944 
1 1 1   -4   14   48 o   53.264   14.844   38.714   20.482 -13.0101  172.231   39.456   20.628   76.888   35.973   53.745   14.868 23.14367 38.92458 
1 1 1   -4   15    1 o  517.928   16.551  3365.05  214.068  3402.34  303.047  3327.91  302.429  519.589   23.356  513.831   23.570 5.758667 33.18179 
1 1 1   -4   15    2 o  462.577   21.462  2692.07  247.916  2749.36  350.977  2635.02  350.236  464.760   30.409  454.775   31.025 9.985046 43.44255 
1 1 1   -4   15    3 o  298.975   15.377  1123.24  114.419  878.513  161.475  1370.03  162.152  262.804   24.902  329.629   19.791 -66.82526 31.80868 
1 1 1   -4   15    4 o   90.097   8.4054  102.349   18.693   96.775   26.695  107.711   26.184   87.026   12.655   92.052   11.651 -5.025856 17.20157 
1 1 1   -4   15    5 o  224.482   9.4014  630.055   52.702  650.948   74.634  609.276   74.430  227.645   13.185  220.168   13.604 7.477097 18.94547 
1 1 1   -4   15    6 o  503.953   23.022  3196.68  289.728   0.0000   0.0000  3196.68  289.728  ?   ?   503.953   23.022 0.000000 23.02233 
1 1 1   -4   15    7 o  317.710   16.522  1268.89  130.628  1268.89  130.628   0.0000   0.0000  317.710   16.522  ?   ?  0.000000 16.52165 
1 1 1   -4   15    8 o  262.274   10.534  860.300   68.990  908.532   97.490  811.916   97.644  268.932   14.571  254.085   15.463 14.84737 21.24638 
1 1 1   -4   15    9 o  208.529   9.4848  543.662   49.391  548.470   69.560  538.774   70.141  208.884   13.406  206.996   13.646 1.887939 19.12951 
1 1 1   -4   15   10 o  202.645   13.204  516.214   66.455  483.393   93.318  549.986   94.659  195.277   19.393  208.567   18.362 -13.28941 26.70656 
1 1 1   -4   15   11 o  277.689   15.234  968.945  105.234  929.002  147.922  1009.88  149.743  270.932   22.055  282.666   21.372 -11.73346 30.71123 
1 1 1   -4   15   12 o  446.667   14.587  2498.80  162.706  2651.70  230.175  2346.10  230.028  459.497   20.060  432.046   21.321 27.45108 29.27389 
1 1 1   -4   15   13 o  469.817   15.333  2765.46  179.890  2922.68  254.464  2608.41  254.341  482.245   21.130  455.403   22.365 26.84222 30.76835 
1 1 1   -4   15   14 o  524.437   16.749  3448.26  219.347  3512.74  310.145  3383.73  310.262  528.263   23.511  518.388   23.968 9.874084 33.57367 
1 1 1   -4   15   15 o  674.594   21.014  5719.71  353.998  5805.38  500.606  5634.02  500.652  677.439   29.592  667.232   30.047 10.20685 42.17275 
1 1 1   -4   15   16 o  434.092   14.457  2360.37  156.720  2401.87  221.513  2318.78  221.759  437.212   20.289  429.530   20.675 7.681122 28.96678 
1 1 1   -4   15   17 o   83.665   9.7256   88.710   19.940   94.154   27.438   82.617   29.028   85.722   13.245   79.896   15.103 5.826469 20.08776 
1 1 1   -4   15   18 o  600.484   18.644  4528.69  279.575  4898.37  395.797  4160.57  394.962  622.943   25.443  573.573   27.575 49.37018 37.51992 
1 1 1   -4   15   19 o  605.974   18.722  4614.17  283.309  4352.81  400.085  4877.04  401.237  586.464   27.319  621.207   25.865 -34.74371 37.62066 
1 1 1   -4   15   20 o  137.950   9.0440  239.014   30.983  246.012   43.308  231.677   44.343  139.588   12.559  135.334   13.293 4.254639 18.28688 
1 1 1   -4   15   21 o  191.589   9.6655  460.417   46.094  437.726   64.831  483.613   65.548  186.312   14.038  195.957   13.477 -9.645233 19.45990 
1 1 1   -4   15   22 o  588.626   18.703  4363.06  274.920  4309.45  388.527  4416.83  389.064  582.441   26.713  589.764   26.418 -7.322754 37.56935 
1 1 1   -4   15   23 o  312.385   11.928  1223.15   93.047  1264.62  131.537  1181.61  131.641  316.621   16.695  305.908   17.304 10.71387 24.04464 
1 1 1   -4   15   24 o  313.579   11.676  1232.86   91.432  1250.77  129.169  1214.89  129.440  314.781   16.490  310.162   16.774 4.619324 23.52212 
1 1 1   -4   15   25 o  473.658   15.492  2824.25  183.241  2728.23  258.855  2920.71  259.430  463.493   22.365  479.818   21.652 -16.32498 31.12841 
1 1 1   -4   15   26 o  230.753   20.712  680.827  118.078   0.0000   0.0000  680.827  118.078  ?   ?   230.753   20.712 0.000000 20.71198 
1 1 1   -4   15   27 f  341.296   25.439  1501.22  215.254   0.0000   0.0000  1501.22  215.254  ?   ?   341.296   25.439 0.000000 25.43899 
1 1 1   -4   15   28 o  300.222   13.425  1134.50  100.647  793.634  175.783  1300.75  122.761  245.936   29.192  321.080   15.311 -75.14413 32.96381 
1 1 1   -4   15   29 o  459.617   17.951  2677.70  206.033  2603.78  358.806  2714.07  251.658  444.680   32.538  461.065   21.857 -16.38464 39.19756 
1 1 1   -4   15   30 o  202.249   14.231  518.264   71.415  570.670  104.746  472.744   97.622  210.799   20.144  191.526   20.743 19.27362 28.91412 
1 1 1   -4   15   31 o  224.483   12.659  636.250   70.674  440.049  129.050  720.303   84.467  181.790   29.434  238.555   14.244 -56.76537 32.69909 
1 1 1   -4   15   32 o  358.984   27.285  1679.36  242.765  1679.36  242.765   0.0000   0.0000  358.984   27.285  ?   ?  0.000000 27.28494 
1 1 1   -4   15   33 o  271.525   13.413  929.261   90.947  738.057  164.342  1013.67  109.191  236.693   28.370  282.729   15.525 -46.03630 32.33981 
1 1 1   -4   15   34 o  340.558   13.689  1462.81  116.415  1711.89  211.274  1354.21  139.504  364.257   23.350  326.302   17.181 37.95432 28.98957 
1 1 1   -4   15   35 o  260.237   15.705  860.288  101.585  880.123  155.103  845.388  134.431  260.267   24.139  256.180   21.204 4.087311 32.12981 
1 1 1   -4   15   36 o  110.731   12.383  156.344   33.655  165.466   89.550  154.844   36.318  110.363   31.139  109.975   13.508 0.3883743 33.94246 
1 1 1   -4   15   37 o  171.826   12.393  374.074   52.818  272.577  116.583  400.287   59.247  140.225   33.710  177.546   13.463 -37.32127 36.29865 
1 1 1   -4   15   38 o  474.846   17.358  2874.50  205.829  3453.51  371.913  2618.85  247.125  510.152   29.317  450.457   21.969 59.69476 36.63515 
1 1 1   -4   15   39 o  269.081   13.266  916.759   89.141  808.102  176.087  954.200  103.364  244.705   29.405  273.533   15.192 -28.82843 33.09744 
1 1 1   -4   15   40 o  246.332   12.244  768.294   75.317  962.656  161.877  714.594   85.088  269.376   24.327  236.501   14.477 32.87581 28.30863 
1 1 1   -4   15   41 o  167.669   19.386  369.755   79.673   0.0000   0.0000  369.755   79.673  ?   ?   167.669   19.386 0.000000 19.38615 
1 1 1   -4   15   42 o  119.866   17.430  189.852   50.644  231.183  119.463  180.796   55.917  123.678   36.303  115.934   20.039 7.744217 41.46678 
1 1 1   -4   15   43 o  152.778   11.556  298.933   43.760  493.543  134.619  275.939   46.274  184.978   30.184  146.335   12.791 38.64285 32.78274 
1 1 1   -4   15   44 o  188.467   12.103  456.448   56.660  597.971  155.602  434.815   60.836  200.404   32.182  183.354   13.379 17.05051 34.85220 
1 1 1   -4   15   45 o   60.297   14.894   49.106   22.294  126.922  135.863   46.953   22.600   95.376   37.987   58.936   15.242 36.44004 40.93063 
1 1 1   -4   15   46 o   59.818   17.946   48.567   28.942   86.634  149.270   47.080   29.502   88.837   37.961   59.071   18.201 29.76655 42.09905 
1 1 1   -4   15   47 o   89.635   13.216  106.372   28.694  -0.2631  161.535  109.846   29.158   78.408   36.035   91.119   13.199 -12.71191 38.37572 
1 1 1   -4   15   48 o   74.900   13.957   75.706   25.144  277.243  182.004   71.784   25.388  114.414   44.445   72.694   14.494 41.71935 46.74894 
1 1 1   -4   16    1 o  200.416   9.0180  502.314   45.133  550.728   64.826  456.773   62.873  209.333   12.457  190.477   13.302 18.85585 18.22427 
1 1 1   -4   16    2 o  647.398   20.289  5273.25  328.012  5259.64  464.083  5286.83  463.674  644.063   28.855  645.761   28.753 -1.697571 40.73520 
1 1 1   -4   16    3 o   40.151   11.863   20.461   12.719   23.237   19.518   18.413   16.769   44.486   14.911   40.223   13.818 4.262615 20.32984 
1 1 1   -4   16    4 o  150.625   11.568  285.595   43.178  351.134   62.003  223.883   60.165  166.699   15.057  132.216   18.748 34.48322 24.04569 
1 1 1   -4   16    5 o  362.772   17.309  1651.47  156.803  1925.70  222.514  1380.96  221.000  390.344   22.928  329.467   27.102 60.87662 35.49950 
1 1 1   -4   16    6 o  594.882   18.783  4444.22  279.028  4608.06  394.764  4280.64  394.446  604.111   26.168  582.008   27.140 22.10278 37.70060 
1 1 1   -4   16    7 o  390.976   13.257  1914.05  129.434  2014.97  183.059  1813.16  183.035  400.638   18.297  379.435   19.382 21.20273 26.65429 
1 1 1   -4   16    8 o  561.024   17.846  3949.86  250.016  4144.81  353.703  3755.20  353.448  573.377   24.703  545.492   25.947 27.88544 35.82567 
1 1 1   -4   16    9 o  349.873   12.280  1532.06  107.288  1679.79  151.794  1384.58  151.661  365.994   16.608  331.617   18.386 34.37692 24.77683 
1 1 1   -4   16   10 o  221.265   9.4571  612.147   52.254  633.807   73.566  590.091   74.235  224.615   13.173  216.637   13.794 7.978302 19.07386 
1 1 1   -4   16   11 o  502.654   16.330  3167.85  204.977  3280.08  289.881  3055.62  289.880  510.486   22.740  492.563   23.567 17.92276 32.74908 
1 1 1   -4   16   12 o  470.644   17.680  2779.25  207.791  2676.74  253.984  2986.74  361.350  461.259   22.050  484.794   29.996 -23.53494 37.22837 
1 1 1   -4   16   13 o  314.311   16.499  1242.18  129.050  1281.33  181.956  1202.55  183.057  318.200   23.055  308.038   23.987 10.16180 33.27017 
1 1 1   -4   16   14 o  211.116   13.271  560.257   69.608  469.549   96.484  658.714  100.521  192.222   20.413  228.431   17.761 -36.20923 27.05812 
1 1 1   -4   16   15 o  304.932   11.194  1163.38   85.237  1159.14  120.183  1167.67  120.906  303.648   15.905  304.760   15.942 -1.112640 22.51951 
1 1 1   -4   16   16 o  614.372   19.269  4742.61  295.624  4767.40  417.892  4717.79  418.260  614.050   27.253  610.799   27.422 3.250671 38.66094 
1 1 1   -4   16   17 f  161.796   9.0451  328.353   36.399  337.426   50.928  318.877   52.042  163.684   12.555  159.017   13.226 4.667404 18.23604 
1 1 1   -4   16   18 o  464.024   15.259  2700.36  176.817  2772.68  249.936  2627.90  250.179  469.210   21.331  456.682   21.937 12.52716 30.59842 
1 1 1   -4   16   19 o  719.253   22.290  6525.30  400.350  6529.91  566.000  6520.69  566.362  715.831   31.663  715.305   31.707 0.5258179 44.80933 
1 1 1   -4   16   20 o  379.477   13.175  1804.98  124.853  1835.99  176.346  1773.82  176.792  382.008   18.486  374.948   18.943 7.059906 26.46832 
1 1 1   -4   16   21 o  282.414   10.897  998.738   76.847  956.387  108.143  1041.94  109.220  275.480   15.786  287.660   15.259 -12.17969 21.95533 
1 1 1   -4   16   22 o  135.324   8.8463  230.105   29.730  230.718   41.524  229.459   42.584  135.087   12.450  134.664   12.818 0.4228363 17.86867 
1 1 1   -4   16   23 o  337.445   12.359  1428.25  104.149  1418.79  147.088  1437.75  147.489  335.088   17.640  337.341   17.569 -2.253510 24.89660 
1 1 1   -4   16   24 o  193.370   9.8121  469.559   47.225  481.376   66.474  457.517   67.104  195.268   13.719  190.262   14.226 5.005905 19.76389 
1 1 1   -4   16   25 o  412.541   14.002  2140.34  144.252  2066.93  203.743  2214.12  204.263  403.330   20.294  418.166   19.561 -14.83655 28.18630 
1 1 1   -4   16   26 o  137.559   11.439  239.128   38.937  159.177   49.600  367.522   62.856  110.691   18.604  170.162   14.943 -59.47060 23.86223 
1 1 1   -4   16   27 o   51.036   20.383   17.005   39.219   0.0000   0.0000   17.005   39.219  ?   ?    51.036   20.383 0.000000 20.38317 
1 1 1   -4   16   28 o  332.097   25.120  1424.69  206.779   0.0000   0.0000  1424.69  206.779  ?   ?   332.097   25.120 0.000000 25.11971 
1 1 1   -4   16   29 o  341.601   14.812  1472.45  126.352  1173.37  220.464  1618.74  154.188  298.847   29.945  357.494   17.271 -58.64737 34.56863 
1 1 1   -4   16   30 o  159.408   11.284  320.866   44.626  272.646   84.727  339.380   52.499  143.809   24.470  163.683   12.950 -19.87415 27.68481 
1 1 1   -4   16   31 o  178.317   11.641  401.444   51.554  350.043   96.925  421.723   60.880  163.297   24.527  182.453   13.457 -19.15591 27.97574 
1 1 1   -4   16   32 o  484.013   18.837  2979.41  227.676  2887.25  397.497  3024.41  277.750  465.602   34.432  485.539   22.908 -19.93698 41.35585 
1 1 1   -4   16   33 o  380.555   19.628  1849.97  185.892  1760.26  265.573  1936.15  260.288  366.176   29.288  385.393   27.221 -19.21692 39.98473 
1 1 1   -4   16   34 o  197.671   11.490  493.025   56.474  594.296  112.801  459.151   65.239  214.529   21.339  190.284   13.824 24.24498 25.42558 
1 1 1   -4   16   35 o  121.199   11.945  186.641   35.683  293.466   87.282  165.204   39.100  149.103   24.277  113.548   14.093 35.55559 28.07070 
1 1 1   -4   16   36 o   70.344   17.337   65.340   30.259  241.454   81.339   37.053   32.599  134.597   25.124   56.168   19.268 78.42856 31.66199 
1 1 1   -4   16   37 o  295.087   13.881  1100.62  102.291  1030.90  192.214  1128.16  120.820  279.280   27.936  297.644   16.317 -18.36478 32.35205 
1 1 1   -4   16   38 o  243.512   12.083  748.044   73.477  926.613  151.955  693.552   83.943  266.570   23.054  233.532   14.465 33.03799 27.21659 
1 1 1   -4   16   39 o  188.359   12.088  450.017   56.560  506.752  129.584  436.665   62.864  194.029   27.515  185.122   13.696 8.907669 30.73527 
1 1 1   -4   16   40 o  119.479   12.228  182.567   35.969  281.311  113.519  171.547   37.923  140.603   32.913  115.501   13.397 25.10165 35.53487 
1 1 1   -4   16   41 o  181.356   12.254  419.323   55.171  405.718  136.713  421.970   60.298  167.749   33.804  181.567   13.394 -13.81837 36.36089 
1 1 1   -4   16   42 o  189.528   20.006  476.280   93.254   0.0000   0.0000  476.280   93.254  ?   ?   189.528   20.006 0.000000 20.00584 
1 1 1   -4   16   43 o   88.330   19.945  106.942   42.954   32.910  112.640  119.539   46.465   77.122   32.966   93.296   20.504 -16.17339 38.82220 
1 1 1   -4   16   44 o  246.401   12.786  781.346   78.405  1003.77  187.078  733.953   86.356  264.340   28.807  237.708   14.619 26.63231 32.30394 
1 1 1   -4   16   45 o   90.259   13.333  107.161   29.148   37.334  139.014  110.372   29.810   81.443   35.704   91.594   13.432 -10.15127 38.14691 
1 1 1   -4   16   46 o  104.350   12.452  142.132   31.806  307.842  155.481  134.895   32.493  130.576   41.998  101.376   13.145 29.20023 44.00738 
1 1 1   -4   16   47 o  146.148   17.397  288.605   62.243  207.173  173.795  300.586   66.665  106.871   42.828  148.565   18.360 -41.69461 46.59780 
1 1 1   -4   16   48 o  132.015   12.748  228.746   41.502  179.345  188.017  231.276   42.551   99.892   42.642  132.613   13.017 -32.72105 44.58491 
1 1 1   -4   17    1 o  374.288   12.799  1755.99  119.627  1806.82  169.808  1705.91  168.556  378.956   17.944  368.160   18.334 10.79559 25.65383 
1 1 1   -4   17    2 o  616.591   19.315  4786.21  297.397  4935.64  421.108  4637.52  420.060  623.693   27.038  604.274   27.837 19.41809 38.80667 
1 1 1   -4   17    3 o  480.368   15.537  2895.68  186.378  2845.69  263.804  2945.51  263.354  474.955   22.242  483.306   21.821 -8.351593 31.15855 
1 1 1   -4   17    4 o  272.076   10.459  926.286   71.063  896.821  100.821  955.376  100.177  266.966   15.186  275.649   14.605 -8.682953 21.06975 
1 1 1   -4   17    5 o  389.236   15.364  1900.23  149.334  1913.02  260.221  1893.94  182.350  387.817   27.039  388.156   18.813 -0.3391418 32.93971 
1 1 1   -4   17    6 o  482.963   22.293  2939.25  268.863  3136.17  380.391  2742.67  380.068  495.899   30.871  462.887   33.099 33.01270 45.26056 
1 1 1   -4   17    7 o  475.503   22.016  2847.88  261.419  2781.46  369.550  2914.42  369.856  466.673   31.902  477.988   31.156 -11.31442 44.59221 
1 1 1   -4   17    8 o  632.090   18.917  5020.31  298.590  5072.14  422.331  4968.50  422.208  633.362   26.702  626.778   26.975 6.584595 37.95618 
1 1 1   -4   17    9 o  403.502   13.683  2039.56  137.877  2078.89  194.866  2000.12  195.110  406.732   19.186  398.898   19.587 7.834503 27.41788 
1 1 1   -4   17   10 o  269.274   10.302  907.008   69.270  882.554   97.668  931.760   98.261  264.948   14.821  272.295   14.503 -7.346405 20.73658 
1 1 1   -4   17   11 o   69.328   10.751   61.547   18.010   49.892   23.875   76.938   27.436   61.880   15.487   77.070   14.793 -15.18999 21.41726 
1 1 1   -4   17   12 o  425.374   14.367  2267.40  152.615  2345.34  215.691  2189.25  215.969  431.897   19.999  417.169   20.731 14.72733 28.80518 
1 1 1   -4   17   13 o  260.795   10.397  850.841   67.713  840.511   95.314  861.368   96.213  258.533   14.825  261.737   14.781 -3.203827 20.93485 
1 1 1   -4   17   14 o  269.384   10.484  907.869   70.526  893.894   99.236  922.132  100.248  266.613   14.966  270.815   14.881 -4.202118 21.10464 
1 1 1   -4   17   15 o  228.921   13.923  659.080   79.213  603.765  109.893  718.905  114.285  218.124   20.413  238.352   19.368 -20.22842 28.13902 
1 1 1   -4   17   16 o  398.492   19.469  1997.27  193.738  2124.51  273.175  1868.51  274.808  408.789   26.911  382.706   28.970 26.08331 39.54023 
1 1 1   -4   17   17 o  415.600   20.087  2174.45  208.473  2248.60  293.605  2099.04  296.060  420.075   28.152  405.417   29.444 14.65796 40.73678 
1 1 1   -4   17   18 f  187.274   10.924  440.524   50.865  522.492   86.494  397.191   62.888  203.196   17.208  177.391   14.319 25.80510 22.38590 
1 1 1   -4   17   19 o  801.279   24.738  8131.29  494.995  8251.45  699.964  8011.09  700.093  801.551   34.970  789.448   35.513 12.10364 49.84005 
1 1 1   -4   17   20 o  203.406   9.6272  517.801   48.901  541.692   68.740  493.322   69.580  207.399   13.343  197.768   14.183 9.630188 19.47303 
1 1 1   -4   17   21 o  415.186   14.036  2163.98  145.521  2142.02  205.438  2186.09  206.160  411.938   19.971  416.185   19.837 -4.246521 28.14832 
1 1 1   -4   17   22 o  412.568   13.956  2137.71  143.785  2068.51  202.841  2207.60  203.848  404.577   20.077  418.094   19.525 -13.51675 28.00544 
1 1 1   -4   17   23 o  320.501   11.905  1288.59   95.286  1301.22  134.469  1275.85  135.041  320.890   16.840  317.682   17.085 3.208649 23.98918 
1 1 1   -4   17   24 o  398.147   13.717  1992.86  136.385  1965.02  192.542  2020.90  193.214  393.968   19.571  399.589   19.363 -5.620758 27.53098 
1 1 1   -4   17   25 o  286.555   12.969  1032.14   92.805  1228.02  159.188  931.287  114.225  310.330   20.660  271.044   16.961 39.28625 26.73032 
1 1 1   -4   17   26 o  203.051   12.802  520.437   64.580  438.917   86.685  622.114   96.810  185.124   19.022  221.050   17.686 -35.92650 25.97359 
1 1 1   -4   17   27 o  141.486   13.595  254.327   47.441  309.686   62.426  178.646   72.990  155.724   16.294  115.679   25.911 40.04477 30.60846 
1 1 1   -4   17   28 o  230.274   21.132  681.575  120.163   0.0000   0.0000  681.575  120.163  ?   ?   230.274   21.132 0.000000 21.13234 
1 1 1   -4   17   29 o  165.494   11.393  345.775   46.798  350.076   86.072  343.970   55.760  164.270   21.498  164.660   13.685 -0.3904572 25.48416 
1 1 1   -4   17   30 o  291.247   16.056  1076.20  116.323   0.0000   0.0000  1076.20  116.323  ?   ?   291.247   16.056 0.000000 16.05588 
1 1 1   -4   17   31 o  212.242   21.789  581.957  113.845  581.957  113.845   0.0000   0.0000  212.242   21.789  ?   ?  0.000000 21.78904 
1 1 1   -4   17   32 o  279.025   13.507  981.519   94.111  863.601  167.595  1035.83  113.736  257.038   26.490  285.657   16.009 -28.61938 30.95153 
1 1 1   -4   17   33 o  206.625   12.673  539.679   65.073  358.920  120.852  613.483   77.223  163.080   30.805  220.036   14.129 -56.95610 33.89048 
1 1 1   -4   17   34 o   71.184   15.304   66.494   26.395   87.574   69.254   62.911   28.550   83.880   28.089   69.089   16.727 14.79041 32.69184 
1 1 1   -4   17   35 o  202.396   12.563  518.072   63.184  358.179  121.242  577.687   74.031  162.590   30.993  213.456   13.966 -50.86519 33.99376 
1 1 1   -4   17   36 o  334.471   27.307  1468.17  226.091  1468.17  226.091   0.0000   0.0000  334.471   27.307  ?   ?  0.000000 27.30737 
1 1 1   -4   17   37 o  233.100   15.384  691.747   89.046  748.681  144.835  657.148  112.907  239.083   24.611  225.580   20.259 13.50343 31.87658 
1 1 1   -4   17   38 o  170.152   12.149  367.146   51.282  371.605  117.623  366.099   56.982  165.298   29.582  169.586   13.569 -4.288284 32.54525 
1 1 1   -4   17   39 o  201.329   12.918  515.122   64.603  397.396  138.175  548.057   73.083  168.092   34.084  207.318   14.202 -39.22513 36.92464 
1 1 1   -4   17   40 o  151.436   11.748  291.829   44.079  396.019  121.648  276.081   47.293  169.012   29.918  146.950   13.023 22.06213 32.62906 
1 1 1   -4   17   41 o  276.812   12.863  974.638   88.917  1329.46  187.241  871.322  101.036  315.504   23.944  260.170   15.624 55.33420 28.59050 
1 1 1   -4   17   42 o  181.731   12.064  422.038   54.436  591.921  143.872  393.654   58.807  205.383   28.847  174.954   13.566 30.42880 31.87809 
1 1 1   -4   17   43 o  160.526   13.181  332.342   52.371   0.0000   0.0000  332.342   52.371  ?   ?   160.526   13.181 0.000000 13.18094 
1 1 1   -4   17   44 o  184.061   16.849  446.899   76.582  602.872  168.980  406.582   85.912  197.870   35.503  173.504   20.207 24.36618 40.85074 
1 1 1   -4   17   45 o  135.150   11.945  235.918   39.899  560.671  154.359  212.667   41.302  191.172   33.558  127.824   13.126 63.34785 36.03350 
1 1 1   -4   17   46 o   48.493   15.492   30.516   21.183  -3.7113  153.708   31.179   21.387   78.103   35.614   48.939   15.559 29.16455 38.86431 
1 1 1   -4   17   47 o   91.211   13.577  110.354   29.981   40.940  170.056  112.580   30.458   84.244   38.034   92.113   13.655 -7.868599 40.41048 
1 1 1   -4   17   48 o  215.018   13.258  605.862   70.841  714.920  222.585  593.570   74.726  187.147   47.536  212.094   14.191 -24.94725 49.60895 
1 1 1   -4   18    1 o  456.184   21.336  2633.77  243.057  2773.23  344.420  2495.42  343.052  464.243   29.868  439.566   31.461 24.67615 43.38034 
1 1 1   -4   18    2 o  550.391   17.640  3815.00  242.449  3738.47  343.246  3891.21  342.504  542.380   25.343  553.562   24.777 -11.18219 35.44215 
1 1 1   -4   18    3 o  173.544   8.5842  376.761   37.201  420.851   53.706  336.092   51.580  182.883   11.823  163.231   12.755 19.65266 17.39197 
1 1 1   -4   18    4 o  414.529   19.648  2165.68  203.391   0.0000   0.0000  2165.68  203.391  ?   ?   414.529   19.648 0.000000 19.64837 
1 1 1   -4   18    5 o  429.760   20.090  2327.57  215.603  2327.57  215.603   0.0000   0.0000  429.760   20.090  ?   ?  0.000000 20.08992 
1 1 1   -4   18    6 o  456.396   14.938  2613.61  170.254  2661.00  240.990  2566.38  240.563  459.415   21.006  451.099   21.355 8.315399 29.95497 
1 1 1   -4   18    7 o  362.470   12.444  1645.88  112.634  1655.74  159.313  1636.03  159.264  362.959   17.577  360.778   17.678 2.180878 24.92893 
1 1 1   -4   18    8 o  688.705   30.626  6037.95  526.705  5890.02  744.655  6186.06  745.093  671.727   44.647  689.206   43.516 -17.47882 62.34557 
1 1 1   -4   18    9 o  424.521   20.049  2268.69  212.536  2143.26  300.243  2394.67  300.899  409.663   29.548  433.634   27.936 -23.97076 40.66298 
1 1 1   -4   18   10 o  289.431   11.078  1048.55   80.070  1120.74  113.137  976.097  113.335  298.517   15.228  278.370   16.376 20.14682 22.36196 
1 1 1   -4   18   11 o  250.038   10.134  782.229   63.274  784.590   89.081  779.824   89.889  249.749   14.344  248.964   14.521 0.7853699 20.41100 
1 1 1   -4   18   12 o  255.074   10.383  814.145   66.135  836.102   93.151  791.827   93.912  257.816   14.528  250.805   15.064 7.011185 20.92824 
1 1 1   -4   18   13 o  289.062   11.060  1045.91   79.835  1051.81  112.470  1039.92  113.341  289.097   15.637  287.422   15.853 1.675079 22.26722 
1 1 1   -4   18   14 o  301.945   11.358  1141.45   85.640  1177.64  120.695  1104.75  121.535  305.896   15.855  296.154   16.499 9.742798 22.88217 
1 1 1   -4   18   15 o  352.619   12.441  1557.74  109.553  1585.24  154.490  1529.92  155.377  355.144   17.420  348.376   17.921 6.768005 24.99229 
1 1 1   -4   18   16 o  322.703   11.715  1304.30   94.404  1298.19  132.984  1310.51  134.037  321.015   16.646  322.529   16.699 -1.513397 23.57885 
1 1 1   -4   18   17 o  176.657   9.1092  391.462   40.048  374.150   55.528  410.228   57.813  172.274   13.003  180.445   12.916 -8.170059 18.32752 
1 1 1   -4   18   18 o  234.678   13.888  693.376   81.024  597.172  111.543  800.840  117.891  216.536   20.887  251.432   18.915 -34.89687 28.17884 
1 1 1   -4   18   19 o  456.772   21.879  2638.65  249.562  2984.74  352.131  2289.40  353.742  482.525   29.363  420.474   33.980 62.05182 44.90931 
1 1 1   -4   18   20 o  323.895   17.264  1324.82  139.131  1424.94  194.767  1220.49  198.817  334.384   23.474  308.603   26.042 25.78101 35.06012 
1 1 1   -4   18   21 o  454.573   21.840  2618.47  247.921  2950.25  349.757  2283.43  351.474  478.848   29.392  418.980   33.883 59.86844 44.85456 
1 1 1   -4   18   22 o  211.106   14.568  563.059   76.331  689.359  105.072  421.921  111.073  232.976   18.205  180.216   25.385 52.76051 31.23770 
1 1 1   -4   18   23 o  509.169   23.684  3304.12  301.141  3285.60  423.958  3322.98  427.824  501.327   34.067  504.102   34.188 -2.775024 48.26366 
1 1 1   -4   18   24 o  432.428   20.671  2374.80  223.213  2336.77  313.417  2413.94  317.974  424.204   29.775  431.216   29.710 -7.011780 42.06264 
1 1 1   -4   18   25 o  315.694   17.696  1265.00  138.946  1754.30  195.326  763.772  197.694  370.686   21.189  239.396   34.027 131.2905 40.08499 
1 1 1   -4   18   26 o  371.826   19.352  1760.44  179.068  2001.25  251.277  1511.96  255.251  393.654   25.703  339.651   30.416 54.00223 39.82185 
1 1 1   -4   18   27 o   70.393   15.952   65.076   27.393   93.333   32.751  -0.7243   49.978   84.572   16.096   51.224   21.929 33.34877 27.20194 
1 1 1   -4   18   28 o  149.857   12.546  284.530   46.517  249.553   59.553  339.265   74.498  139.270   17.511  162.411   18.711 -23.14049 25.62658 
1 1 1   -4   18   29 o   58.674   15.898   44.981   23.873   16.905   51.827   52.542   26.897   56.773   23.157   63.294   16.755 -6.520466 28.58233 
1 1 1   -4   18   30 o  111.370   12.472  158.032   34.091  142.219   68.371  163.264   39.329  102.928   26.456  112.881   14.271 -9.953094 30.05943 
1 1 1   -4   18   31 o   84.794   13.867   92.982   28.348   99.076   60.440   91.263   32.098   86.858   25.906   83.582   15.961 3.275589 30.42793 
1 1 1   -4   18   32 o  114.150   12.506  165.981   35.066  135.578   72.327  175.323   40.092  100.530   27.852  117.072   13.991 -16.54295 31.16819 
1 1 1   -4   18   33 o   88.785   13.441  101.578   28.868  168.807   68.631   87.126   31.820  112.250   25.112   81.562   16.194 30.68889 29.88084 
1 1 1   -4   18   34 o  222.199   12.674  624.061   70.033  521.074  129.719  666.427   83.200  198.690   26.831  229.191   14.613 -30.50156 30.55204 
1 1 1   -4   18   35 o  152.989   12.121  296.571   45.928  249.521   95.329  310.793   52.411  135.700   29.011  156.355   13.558 -20.65517 32.02215 
1 1 1   -4   18   36 o  456.843   18.315  2660.16  208.945  2642.56  369.521  2668.43  253.333  443.756   33.595  455.330   22.280 -11.57422 40.31162 
1 1 1   -4   18   37 o  208.158   17.079  555.058   87.994  275.138  137.742  748.059  114.374  139.301   38.373  241.117   19.153 -101.8160 42.88726 
1 1 1   -4   18   38 o  300.577   18.940  1162.44  141.439  844.432  209.833  1427.24  191.474  247.272   34.956  330.716   23.334 -83.44443 42.02912 
1 1 1   -4   18   39 o  200.968   16.804  519.805   83.560  421.798  136.354  578.746  105.741  173.879   32.601  210.714   20.349 -36.83437 38.43008 
1 1 1   -4   18   40 o  138.503   12.443  245.069   42.577  247.363  117.330  244.721   45.692  130.546   35.191  138.152   13.413 -7.606705 37.66108 
1 1 1   -4   18   41 o  329.318   14.540  1387.29  119.570  1568.31  232.367  1322.10  139.449  338.820   27.706  319.316   17.556 19.50482 32.79948 
1 1 1   -4   18   42 o   78.097   15.223   81.010   28.621   24.358  115.019   84.749   29.551   77.004   33.124   79.883   15.372 -2.878929 36.51721 
1 1 1   -4   18   43 o  182.924   12.734  430.245   57.808  375.087  151.571  439.634   62.534  153.025   39.422  184.517   13.669 -31.49165 41.72424 
1 1 1   -4   18   44 o   87.396   14.710  101.351   30.963   0.0000   0.0000  101.351   30.963  ?   ?    87.396   14.710 0.000000 14.71011 
1 1 1   -4   18   45 o  138.850   19.942  262.972   67.162   0.0000   0.0000  262.972   67.162  ?   ?   138.850   19.942 0.000000 19.94224 
1 1 1   -4   18   46 o   64.229   15.606   56.163   24.783 -19.5581  155.791   58.129   25.103   76.741   35.313   65.351   15.599 11.39020 38.60476 
1 1 1   -4   18   47 o   61.706   15.524   52.077   23.901  200.212  175.280   49.271   24.126  105.745   42.787   59.996   15.862 45.74986 45.63247 
1 1 1   -4   18   48 o  127.141   13.077  212.792   40.927   0.0000   0.0000  212.792   40.927  ?   ?   127.141   13.077 0.000000 13.07697 
1 1 1   -4   19    1 o  371.633   12.895  1735.33  119.673  1769.03  170.216  1702.38  168.286  374.058   18.223  366.443   18.449 7.614624 25.93154 
1 1 1   -4   19    2 o  182.133   9.3228  416.526   42.260  386.929   61.449  443.086   58.211  174.857   14.195  187.456   12.507 -12.59875 18.91915 
1 1 1   -4   19    3 o  459.462   21.549  2675.68  247.242  2792.86  350.568  2559.72  348.747  465.126   30.348  444.590   31.618 20.53705 43.82644 
1 1 1   -4   19    4 o  132.101   8.9229  219.406   29.262  218.028   42.685  220.628   40.194  131.141   13.214  132.055   12.331 -0.9147797 18.07417 
1 1 1   -4   19    5 o  156.484   8.8631  307.416   34.492  358.107   49.723  260.401   47.887  168.597   11.886  143.409   13.532 25.18800 18.01093 
1 1 1   -4   19    6 o  180.598   8.8345  408.111   39.842  411.620   56.748  404.699   55.951  180.733   12.654  179.209   12.582 1.523346 17.84454 
1 1 1   -4   19    7 o  105.850   9.0467  141.217   23.683  114.021   33.917  167.093   33.084   94.149   14.924  114.887   11.695 -20.73817 18.96048 
1 1 1   -4   19    8 o  537.744   17.021  3637.33  228.567  3604.83  323.116  3669.89  323.370  533.313   24.262  538.170   24.062 -4.856873 34.17039 
1 1 1   -4   19    9 o  896.444   27.482 10223.60  615.206 10292.09  870.071 10155.13  869.995  891.008   39.104  884.834   39.374 6.174133 55.49239 
1 1 1   -4   19   10 o  389.232   18.342  1907.34  178.284  1583.81  251.378  2234.78  252.894  351.440   28.899  419.362   24.253 -67.92194 37.72749 
1 1 1   -4   19   11 o  185.328   12.548  432.456   57.730  333.244   81.098  534.374   82.197  161.264   20.610  205.600   16.139 -44.33609 26.17704 
1 1 1   -4   19   12 o  450.910   14.850  2552.37  167.211  2512.98  236.125  2592.00  236.820  446.173   21.193  453.196   20.926 -7.022614 29.78296 
1 1 1   -4   19   13 o  116.389   8.9649  170.477   25.855  156.990   35.402  185.895   37.852  111.150   13.000  121.119   12.704 -9.969315 18.17662 
1 1 1   -4   19   14 o  638.634   20.090  5144.42  320.394  5105.41  452.777  5183.56  453.435  632.910   28.648  637.817   28.469 -4.906372 40.38773 
1 1 1   -4   19   15 o  329.954   11.428  1363.94   94.163  1208.75  132.414  1522.72  133.933  309.487   17.201  348.150   15.405 -38.66324 23.09118 
1 1 1   -4   19   16 o  315.570   11.702  1247.98   92.215  1269.95  129.820  1225.60  131.012  317.355   16.438  311.662   16.897 5.692993 23.57317 
1 1 1   -4   19   17 o  232.874   9.9941  679.018   58.119  679.200   81.336  678.827   83.077  232.165   14.096  232.053   14.408 0.1117401 20.15627 
1 1 1   -4   19   18 o  475.688   15.635  2845.69  185.724  2863.59  262.274  2827.69  263.033  475.487   22.088  472.434   22.296 3.052948 31.38461 
1 1 1   -4   19   19 f  163.549   9.2359  335.927   37.566  361.104   52.106  308.677   54.210  169.205   12.418  156.130   14.055 13.07495 18.75499 
1 1 1   -4   19   20 o  332.564   12.000  1387.55   99.656  1402.15  140.144  1372.62  141.740  333.111   16.903  329.485   17.287 3.625549 24.17761 
1 1 1   -4   19   21 o  304.653   13.228  1166.12  100.636  1154.12  122.153  1191.48  177.551  302.180   16.247  305.063   23.487 -2.883667 28.55944 
1 1 1   -4   19   22 o  151.845   13.121  291.908   49.265  288.688   65.125  296.215   75.326  150.152   17.709  151.516   20.429 -1.364044 27.03657 
1 1 1   -4   19   23 o  281.512   16.507  1003.93  115.533  1218.25  161.142  777.234  165.731  308.882   21.016  244.263   27.658 64.61978 34.73670 
1 1 1   -4   19   24 o  246.083   15.559  767.125   95.121  933.489  131.739  585.926  137.488  270.462   19.640  211.858   26.572 58.60449 33.04239 
1 1 1   -4   19   25 f  174.107   13.692  384.097   59.050  416.203   78.738  342.830   89.267  180.432   17.703  162.326   22.638 18.10692 28.73804 
1 1 1   -4   19   26 o  171.719   14.022  374.116   59.603  450.695   79.823  277.616   89.605  187.883   17.204  144.823   25.719 43.05978 30.94268 
1 1 1   -4   19   27 o  117.838   13.639  177.274   39.393  195.718   49.727  146.197   64.547  123.291   16.571  104.546   25.052 18.74455 30.03642 
1 1 1   -4   19   28 o  178.553   11.386  402.337   50.504  458.171   60.512  274.168   91.682  190.332   12.806  143.518   26.560 46.81400 29.48599 
1 1 1   -4   19   29 o  153.424   11.168  297.384   42.493  410.610   69.325  229.242   53.781  179.534   15.619  133.577   16.472 45.95676 22.69958 
1 1 1   -4   19   30 o   70.999   13.460   65.609   22.991   63.755   28.397   69.136   39.172   69.574   16.580   72.630   20.631 -3.056198 26.46742 
1 1 1   -4   19   31 o  190.714   12.182  459.639   57.711  325.711  104.072  519.111   69.351  156.216   27.692  202.393   13.804 -46.17647 30.94193 
1 1 1   -4   19   32 o  146.580   11.650  271.956   42.292  394.739   85.165  231.769   48.724  174.853   19.857  134.662   14.729 40.19067 24.72334 
1 1 1   -4   19   33 o  157.096   11.685  312.199   45.512  329.989   88.822  305.865   52.997  158.687   23.092  155.080   13.830 3.606934 26.91662 
1 1 1   -4   19   34 o  327.043   14.685  1352.29  119.931  1325.35  213.253  1364.75  145.041  318.040   27.110  327.129   17.822 -9.089294 32.44353 
1 1 1   -4   19   35 o  226.059   12.946  646.586   72.776  555.732  137.211  682.150   85.846  204.746   27.534  231.720   14.915 -26.97359 31.31447 
1 1 1   -4   19   36 o  154.697   12.383  303.609   47.437  371.856  101.621  284.594   53.640  167.628   25.044  149.281   14.575 18.34718 28.97682 
1 1 1   -4   19   37 o  167.204   12.107  354.411   50.207  384.456  108.981  346.316   56.568  169.615   26.605  164.884   13.867 4.731125 30.00216 
1 1 1   -4   19   38 o  307.857   19.040  1220.89  145.655  910.416  215.149  1483.58  197.904  256.846   34.409  336.722   23.687 -79.87601 41.77370 
1 1 1   -4   19   39 o  147.433   16.965  281.721   61.322   94.427  114.543  356.970   72.603   92.490   35.437  165.884   17.805 -73.39417 39.65886 
1 1 1   -4   19   40 o  199.040   12.850  505.061   63.528  422.024  137.562  527.571   71.623  172.207   33.192  202.981   14.220 -30.77441 36.10995 
1 1 1   -4   19   41 o  332.234   15.403  1417.38  127.793  1311.20  240.085  1459.36  150.955  304.810   32.020  334.921   18.116 -30.11060 36.78989 
1 1 1   -4   19   42 o  181.357   12.553  421.530   56.502  491.633  139.695  407.818   61.781  184.565   31.436  177.801   14.028 6.763489 34.42444 
1 1 1   -4   19   43 o   98.391   20.252  132.725   48.100  315.039  127.948  102.718   51.908  142.348   35.977   85.534   23.554 56.81455 43.00179 
1 1 1   -4   19   44 o  121.587   12.862  191.920   38.460  322.860  141.843  181.529   39.957  139.915   39.089  117.865   13.839 22.05034 41.46640 
1 1 1   -4   19   45 o   89.960   14.644  107.584   31.766   0.0000   0.0000  107.584   31.766  ?   ?    89.960   14.644 0.000000 14.64438 
1 1 1   -4   19   46 o  112.603   20.848  176.942   56.464   0.0000   0.0000  176.942   56.464  ?   ?   112.603   20.848 0.000000 20.84826 
1 1 1   -4   19   47 o   55.021   16.264   41.008   23.902  144.657  171.476   38.955   24.138   97.177   41.072   53.829   16.443 43.34866 44.24166 
1 1 1   -4   19   48 o  103.011   13.716  141.117   34.406   0.0000   0.0000  141.117   34.406  ?   ?   103.011   13.716 0.000000 13.71607 
1 1 1   -4   20    1 o  169.210   9.1108  359.956   38.356  377.285   56.822  345.451   51.986  172.600   13.285  165.219   12.697 7.381500 18.37734 
1 1 1   -4   20    2 o  271.321   10.751  923.864   72.844  924.445  104.418  923.313  101.670  270.225   15.539  270.155   15.131 0.6958008E-01 21.68938 
1 1 1   -4   20    3 o  244.743   9.7284  750.810   59.457  793.373   85.646  711.215   82.605  250.735   13.731  237.306   14.002 13.42972 19.61063 
1 1 1   -4   20    4 o  471.637   22.139  2829.85  260.748  2829.85  260.748   0.0000   0.0000  471.637   22.139  ?   ?  0.000000 22.13925 
1 1 1   -4   20    5 o  549.623   25.292  3859.50  347.138  3858.16  490.956  3860.84  490.898  541.869   36.495  542.071   36.477 -0.2020874 51.59904 
1 1 1   -4   20    6 o   79.352   9.8412   80.081   19.082   86.266   28.424   75.007   25.747   81.635   14.473   76.059   14.074 5.576859 20.18792 
1 1 1   -4   20    7 o  313.393   11.471  1231.64   89.775  1198.62  127.146  1264.46  126.777  308.002   16.592  316.481   16.094 -8.479370 23.11569 
1 1 1   -4   20    8 o  307.077   11.185  1182.07   85.770  1169.73  121.374  1194.39  121.221  304.422   16.022  307.663   15.832 -3.240082 22.52474 
1 1 1   -4   20    9 o  685.846   21.318  5955.87  365.106  6136.91  516.515  5775.08  516.161  691.558   29.909  670.292   30.837 21.26550 42.95890 
1 1 1   -4   20   10 o  470.746   15.166  2786.23  178.286  2753.57  251.955  2818.98  252.313  466.307   21.637  471.882   21.412 -5.574463 30.44070 
1 1 1   -4   20   11 o  221.065   9.1648  611.723   50.593  541.200   70.537  686.446   72.607  207.163   13.713  233.597   12.492 -26.43369 18.54966 
1 1 1   -4   20   12 o  179.239   12.536  404.962   55.759  354.006   78.289  457.416   79.432  166.399   19.193  189.853   16.932 -23.45355 25.59414 
1 1 1   -4   20   13 o  126.790   11.951  203.349   37.393  157.148   52.268  251.784   53.517  109.921   19.769  140.665   15.492 -30.74355 25.11587 
1 1 1   -4   20   14 o  285.164   11.090  1019.15   78.974  1079.81  111.271  957.578  112.105  292.646   15.279  275.333   16.379 17.31299 22.39899 
1 1 1   -4   20   15 o  294.442   11.072  1086.62   81.408  1090.66  114.348  1082.47  115.925  294.028   15.630  292.863   15.911 1.164978 22.30352 
1 1 1   -4   20   16 o  209.766   9.5718  551.020   50.140  570.030   70.120  531.130   71.724  212.660   13.270  205.120   14.088 7.539780 19.35370 
1 1 1   -4   20   17 o  542.728   17.544  3715.47  237.773  3769.03  335.939  3661.70  336.587  543.909   24.733  535.926   25.150 7.982727 35.27423 
1 1 1   -4   20   18 o  261.357   10.564  856.196   68.945  842.875   96.586  870.034   98.446  258.377   15.035  262.512   15.081 -4.134521 21.29478 
1 1 1   -4   20   19 o  409.683   13.965  2110.61  142.870  2114.36  201.452  2106.82  202.649  408.601   19.743  407.827   19.898 0.7741394 28.03119 
1 1 1   -4   20   20 o  418.031   14.195  2198.95  148.184  2202.48  208.948  2195.37  210.187  416.754   20.077  416.033   20.231 0.7218933 28.50286 
1 1 1   -4   20   21 f  226.650   9.9373  644.002   56.244  648.525   78.528  639.239   80.593  226.583   13.946  224.857   14.429 1.725967 20.06737 
1 1 1   -4   20   22 o  235.960   9.9565  698.175   58.667  681.598   81.758  715.772   84.234  232.212   14.167  237.968   14.240 -5.756195 20.08698 
1 1 1   -4   20   23 o  281.983   11.185  998.515   78.760  1090.88  110.794  904.155  111.981  293.657   15.160  266.842   16.892 26.81537 22.69768 
1 1 1   -4   20   24 o  274.392   10.820  945.383   74.137  922.566  103.899  969.051  105.818  269.841   15.484  276.602   15.381 -6.761475 21.82447 
1 1 1   -4   20   25 o  274.572   11.339  947.386   77.747  1041.09  109.695  852.798  110.208  286.664   15.380  258.899   17.143 27.76495 23.03123 
1 1 1   -4   20   26 o  134.918   9.6611  229.528   32.334  247.176   44.571  209.921   46.979  139.514   12.941  128.083   14.970 11.43102 19.78817 
1 1 1   -4   20   27 o  346.041   12.684  1507.86  109.603  1639.82  154.802  1375.21  155.204  359.581   17.240  328.227   19.017 31.35352 25.66815 
1 1 1   -4   20   28 o  221.275   12.388  618.287   68.174  485.892  119.004  682.962   83.175  192.469   25.379  232.145   14.419 -39.67592 29.18904 
1 1 1   -4   20   29 o  150.526   13.661  288.078   50.792  288.078   50.792   0.0000   0.0000  150.526   13.661  ?   ?  0.000000 13.66121 
1 1 1   -4   20   30 o  192.825   9.8964  467.979   47.493  459.175   66.294  477.260   68.070  190.224   14.055  193.932   14.154 -3.708038 19.94695 
1 1 1   -4   20   31 o  163.814   10.137  338.261   41.265  347.517   58.056  328.810   58.665  165.308   14.202  160.639   14.790 4.668869 20.50463 
1 1 1   -4   20   32 o   89.319   14.651  103.368   31.544  120.454   70.829   99.141   35.231   95.129   27.962   86.989   16.827 8.139854 32.63451 
1 1 1   -4   20   33 o  191.988   12.462  466.297   59.424  433.347  109.396  480.089   70.776  181.583   24.772  194.332   14.693 -12.74890 28.80149 
1 1 1   -4   20   34 o  163.442   12.673  338.729   51.321  298.445   99.452  353.350   59.914  149.085   27.734  166.555   14.551 -17.47040 31.31957 
1 1 1   -4   20   35 o  135.048   13.067  232.229   43.515  177.170   94.130  247.194   49.073  113.771   31.864  139.104   14.332 -25.33260 34.93872 
1 1 1   -4   20   36 o  174.205   12.461  384.727   53.852  342.507  107.650  398.819   62.193  159.494   28.052  176.992   14.191 -17.49765 31.43744 
1 1 1   -4   20   37 o  230.570   13.029  674.035   74.708  684.203  143.751  670.272   87.445  227.424   25.767  229.245   15.364 -1.821625 29.99945 
1 1 1   -4   20   38 o  205.520   13.065  536.798   66.704  522.765  135.779  541.262   76.583  196.588   28.488  205.806   15.005 -9.217789 32.19834 
1 1 1   -4   20   39 o  163.094   16.148  343.297   64.905  222.818  114.858  399.816   78.669  124.421   35.322  175.378   18.229 -50.95735 39.74830 
1 1 1   -4   20   40 o  158.857   16.649  327.715   65.065  171.913  119.510  393.352   77.570  109.968   36.898  173.581   18.164 -63.61298 41.12685 
1 1 1   -4   20   41 o  159.513   13.139  326.587   51.873  217.148  124.406  349.619   57.071  120.117   37.437  164.779   14.002 -44.66259 39.96975 
1 1 1   -4   20   42 o  230.265   13.582  681.803   77.750  617.870  168.348  699.137   87.659  204.430   34.184  232.347   15.192 -27.91608 37.40778 
1 1 1   -4   20   43 o  115.797   13.672  174.688   38.771   79.896  126.817  184.462   40.721   87.470   36.013  118.923   13.979 -31.45289 38.63034 
1 1 1   -4   20   44 o  183.222   12.972  433.904   58.970  410.247  154.234  437.955   63.819  157.929   39.273  183.555   14.029 -25.62605 41.70374 
1 1 1   -4   20   45 o  138.813   12.574  249.908   43.115  300.638  150.286  245.358   45.007  131.075   41.195  137.234   13.300 -6.159775 43.28901 
1 1 1   -4   20   46 o  155.662   12.874  315.237   49.596  449.804  171.941  303.024   51.797  158.005   42.604  152.155   13.782 5.849579 44.77803 
1 1 1   -4   20   47 o  111.456   21.255  175.891   56.999   0.0000   0.0000  175.891   56.999  ?   ?   111.456   21.255 0.000000 21.25498 
1 1 1   -4   21    1 o  390.522   18.958  1945.31  184.881  2013.75  264.414  1879.83  258.606  392.186   27.166  378.622   27.540 13.56433 38.68404 
1 1 1   -4   21    2 o   49.864   14.068   32.224   18.278   0.0000   0.0000   32.224   18.278  ?   ?    49.864   14.068 0.000000 14.06786 
1 1 1   -4   21    3 o  239.588   14.618  727.303   87.040  727.303   87.040   0.0000   0.0000  239.588   14.618  ?   ?  0.000000 14.61802 
1 1 1   -4   21    4 o  332.337   12.073  1388.85  100.199  1365.32  142.410  1411.93  141.006  327.805   17.460  333.522   16.986 -5.716400 24.35949 
1 1 1   -4   21    5 o  334.020   11.972  1402.21   99.860  1361.86  141.757  1441.96  140.695  327.550   17.393  337.682   16.685 -10.13208 24.10184 
1 1 1   -4   21    6 o  201.025   10.977  508.696   54.897  533.054   67.444  460.871   94.503  205.428   13.217  189.412   20.296 16.01559 24.22009 
1 1 1   -4   21    7 o  623.084   28.466  5010.28  442.921  4971.74  626.269  5048.84  626.500  608.601   41.455  613.660   41.121 -5.058716 58.39011 
1 1 1   -4   21    8 o  468.874   15.075  2769.80  176.513  2709.92  249.680  2829.64  249.573  461.577   21.662  471.853   21.181 -10.27597 30.29595 
1 1 1   -4   21    9 o  272.039   10.702  928.111   72.701  958.379  102.857  897.892  102.773  275.456   15.010  266.490   15.511 8.965454 21.58407 
1 1 1   -4   21   10 o  352.063   12.317  1556.47  108.289  1474.31  152.943  1639.05  153.346  341.084   18.020  360.347   17.041 -19.26315 24.80194 
1 1 1   -4   21   11 o  517.719   16.459  3380.29  212.793  3305.65  300.733  3455.14  301.137  509.279   23.647  520.888   23.151 -11.60846 33.09291 
1 1 1   -4   21   12 o  160.386   8.6528  323.002   34.528  272.771   47.950  377.095   49.759  146.748   13.227  172.976   11.587 -26.22803 17.58399 
1 1 1   -4   21   13 o  166.895   8.9484  349.803   37.158  355.409   51.705  343.815   53.437  167.786   12.429  164.913   13.083 2.872635 18.04574 
1 1 1   -4   21   14 o  154.213   12.220  300.421   46.674  243.207   65.838  358.228   66.178  137.225   19.784  167.851   15.982 -30.62537 25.43293 
1 1 1   -4   21   15 o  189.117   12.650  451.228   59.395  369.758   83.418  534.999   84.588  169.675   20.077  205.275   16.645 -35.59996 26.07915 
1 1 1   -4   21   16 o  108.412   9.2971  148.312   24.926  151.535   33.866  144.501   36.820  109.109   12.665  106.240   14.237 2.868668 19.05491 
1 1 1   -4   21   17 o  350.237   12.466  1541.07  109.026  1542.75  153.583  1539.37  154.796  348.912   17.685  348.483   17.848 0.4297180 25.12569 
1 1 1   -4   21   18 o  243.434   10.135  743.050   61.611  723.358   85.983  763.829   88.325  239.239   14.460  245.865   14.449 -6.626556 20.44224 
1 1 1   -4   21   19 o  327.721   11.939  1349.21   97.705  1332.20  137.315  1366.64  139.054  324.205   17.020  328.381   17.016 -4.176392 24.06701 
1 1 1   -4   21   20 o  141.669   9.2376  252.610   32.501  264.478   44.562  239.120   47.508  144.513   12.470  137.079   14.078 7.433426 18.80722 
1 1 1   -4   21   21 o  310.997   11.750  1215.42   91.256  1234.35  128.165  1195.96  129.966  312.018   16.508  306.966   17.021 5.051971 23.71132 
1 1 1   -4   21   22 f  137.366   9.3134  237.672   31.759  240.524   43.492  234.414   46.485  137.666   12.798  135.690   13.916 1.976166 18.90569 
1 1 1   -4   21   23 o  518.196   17.235  3403.20  223.024  3653.69  315.058  3151.61  315.749  533.452   23.651  493.621   25.704 39.83081 34.92932 
1 1 1   -4   21   24 o  124.512   9.7191  195.691   29.980  222.359   41.074  165.281   43.860  132.321   12.582  113.237   15.953 19.08353 20.31709 
1 1 1   -4   21   25 o  298.917   11.643  1123.72   86.909  1199.97  122.159  1045.57  123.671  307.525   15.962  286.576   17.363 20.94818 23.58534 
1 1 1   -4   21   26 o  119.269   9.8271  179.742   29.008  180.164   39.681  179.258   42.513  118.768   13.626  118.245   14.716 0.5229034 20.05544 
1 1 1   -4   21   27 o  246.411   10.828  763.062   66.626  816.528   93.556  708.043   94.905  253.764   14.828  235.886   16.210 17.87851 21.96887 
1 1 1   -4   21   28 o  231.299   10.964  672.508   63.329  806.355   89.214  536.560   89.912  252.309   14.218  204.761   17.760 47.54784 22.74988 
1 1 1   -4   21   29 o   68.102   12.440   60.205   20.376   63.597   26.682   55.461   31.559   69.532   15.734   65.172   18.520 4.360107 24.30110 
1 1 1   -4   21   30 o   95.880   10.671  116.933   25.117  115.502   33.701  118.720   37.671   94.506   14.763   95.491   16.388 -0.9851227 22.05694 
1 1 1   -4   21   31 o  408.834   14.674  2113.06  149.809  2199.24  211.308  2025.97  212.419  414.703   20.405  396.981   21.508 17.72202 29.64678 
1 1 1   -4   21   32 o  197.186   10.226  489.768   50.182  485.433   70.923  494.114   71.014  195.415   14.640  197.191   14.523 -1.776443 20.62196 
1 1 1   -4   21   33 o  234.913   12.876  697.966   75.245  764.797  136.210  668.615   90.268  242.759   22.734  229.142   15.873 13.61737 27.72686 
1 1 1   -4   21   34 o   96.583   14.687  120.611   34.307   95.129   77.646  126.792   38.242   87.406   29.739   98.772   16.056 -11.36604 33.79685 
1 1 1   -4   21   35 o  205.904   12.910  537.157   66.045  366.688  122.868  606.426   78.323  163.973   31.146  218.441   14.440 -54.46843 34.32999 
1 1 1   -4   21   36 o  165.301   12.603  346.898   51.632  329.847  101.989  352.774   59.872  156.669   27.046  166.249   14.568 -9.580734 30.72039 
1 1 1   -4   21   37 o  283.053   13.864  1015.14   97.994  952.394  179.685  1041.71  116.910  267.488   27.282  285.435   16.472 -17.94650 31.86915 
1 1 1   -4   21   38 o  246.416   13.869  773.127   84.996  649.968  160.096  821.466  100.299  218.121   30.203  253.251   15.941 -35.12968 34.15145 
1 1 1   -4   21   39 o   95.756   15.613  120.050   36.048  137.127   94.043  117.109   39.029   99.980   32.702   94.107   17.243 5.873062 36.96985 
1 1 1   -4   21   40 o   92.372   18.338  114.117   40.808  148.393   99.234  107.141   44.768  102.639   33.594   88.857   20.580 13.78255 39.39658 
1 1 1   -4   21   41 o  281.875   14.034  1017.70   98.788  1025.34  191.556  1014.94  115.304  271.235   28.718  279.665   16.584 -8.430176 33.16288 
1 1 1   -4   21   42 o   83.808   16.194   93.918   32.664  180.400  109.897   85.537   34.210  109.219   35.328   79.482   17.691 29.73719 39.51021 
1 1 1   -4   21   43 o  115.321   13.941  173.725   39.331  150.438  121.147  176.469   41.583  100.707   36.876  115.966   14.689 -15.25864 39.69383 
1 1 1   -4   21   44 o   75.619   17.211   78.034   31.771  105.769  125.923   76.149   32.833   90.761   36.426   74.514   17.874 16.24707 40.57544 
1 1 1   -4   21   45 o  101.906   14.511  137.479   35.885  256.203  139.839  129.110   37.128  121.808   39.879   98.254   15.658 23.55356 42.84300 
1 1 1   -4   21   46 o   80.470   15.822   87.837   30.661  227.128  158.792   82.443   31.249  112.160   42.005   77.622   16.623 34.53783 45.17463 
1 1 1   -4   21   47 o  118.850   14.103  187.105   41.039   0.0000   0.0000  187.105   41.039  ?   ?   118.850   14.103 0.000000 14.10273 
1 1 1   -4   22    1 o  241.430   14.125  740.654   84.785   0.0000   0.0000  740.654   84.785  ?   ?   241.430   14.125 0.000000 14.12456 
1 1 1   -4   22    2 o   99.060   23.403  131.906   56.971  131.906   56.971   0.0000   0.0000   99.060   23.403  ?   ?  0.000000 23.40275 
1 1 1   -4   22    3 o  112.442   10.885  160.514   30.180  169.718   59.971  157.392   34.925  113.047   22.035  110.972   12.840 2.074806 25.50359 
1 1 1   -4   22    4 o  321.534   12.000  1302.11   96.351  1243.47  137.190  1359.18  135.351  312.169   17.671  326.802   16.640 -14.63281 24.27297 
1 1 1   -4   22    5 o  309.737   11.437  1206.84   88.459  1233.00  125.997  1181.41  124.220  311.492   16.254  304.848   16.378 6.644745 23.07454 
1 1 1   -4   22    6 f  283.169   11.023  1007.80   77.946  1006.55  111.057  1009.02  109.427  281.577   15.859  281.998   15.600 -0.4213562 22.24530 
1 1 1   -4   22    7 o  333.633   11.847  1399.96   98.699  1398.24  140.051  1401.66  139.115  331.755   16.962  332.207   16.824 -0.4526672 23.89052 
1 1 1   -4   22    8 o  239.382   14.502  725.560   86.283  866.126  122.180  585.721  121.865  260.412   18.918  212.546   23.345 47.86595 30.04742 
1 1 1   -4   22    9 o  175.876   13.383  391.753   58.334  379.383   81.593  404.687   83.433  171.737   19.363  177.499   19.125 -5.761734 27.21603 
1 1 1   -4   22   10 o  449.817   15.055  2553.24  169.108  2503.78  239.090  2602.76  239.219  442.969   21.614  451.823   21.202 -8.854309 30.27696 
1 1 1   -4   22   11 o  405.698   13.674  2072.76  138.535  2020.48  195.744  2125.24  196.092  398.737   19.659  409.110   19.194 -10.37277 27.47495 
1 1 1   -4   22   12 o  311.071   11.157  1215.04   86.665  1139.08  121.917  1292.64  123.220  299.796   16.347  320.032   15.418 -20.23599 22.47090 
1 1 1   -4   22   13 o  264.065   10.507  874.998   69.286  860.706   97.546  889.552   98.430  260.800   15.042  265.175   14.925 -4.374969 21.18985 
1 1 1   -4   22   14 o  371.967   13.115  1741.01  121.821  1777.18  171.839  1704.47  172.726  374.418   18.379  366.038   18.962 8.380615 26.40667 
1 1 1   -4   22   15 o  360.981   12.959  1639.49  116.818  1658.47  164.804  1620.32  165.610  361.250   18.329  356.952   18.644 4.297852 26.14456 
1 1 1   -4   22   16 f  209.015   11.814  550.719   61.412  501.412  103.068  577.860   76.468  197.271   21.258  213.631   14.418 -16.35979 25.68644 
1 1 1   -4   22   17 o  325.854   16.848  1346.98  136.626  1343.78  193.050  1350.19  193.388  322.825   24.121  323.608   24.104 -0.7822571 34.10025 
1 1 1   -4   22   18 o  267.255   10.826  896.865   72.251  918.154  101.072  874.616  103.322  269.285   15.091  262.620   15.829 6.665771 21.86979 
1 1 1   -4   22   19 o  111.623   9.2529  157.291   25.559  127.468   34.315  194.456   38.306   99.571   14.203  123.687   12.577 -24.11647 18.97137 
1 1 1   -4   22   20 o  300.017   11.355  1131.27   85.074  1136.15  119.289  1126.22  121.363  299.285   16.019  297.864   16.379 1.421692 22.91058 
1 1 1   -4   22   21 o  504.623   16.716  3226.14  210.643  3248.12  297.253  3203.96  298.538  502.693   23.680  499.098   23.953 3.595306 33.68196 
1 1 1   -4   22   22 o  351.617   12.902  1557.54  113.283  1664.21  159.526  1449.03  160.896  362.060   17.644  336.818   19.209 25.24225 26.08246 
1 1 1   -4   22   23 o  228.857   10.370  657.830   59.266  682.099   82.526  631.983   85.167  231.998   14.315  223.021   15.386 8.976883 21.01552 
1 1 1   -4   22   24 o  307.684   12.041  1191.62   92.514  1302.19  129.673  1077.00  132.029  320.186   16.271  290.445   18.297 29.74066 24.48551 
1 1 1   -4   22   25 o  169.301   9.5385  360.857   40.162  382.229   55.411  337.202   58.295  173.687   12.867  162.747   14.496 10.94000 19.38257 
1 1 1   -4   22   26 o  258.173   10.843  837.861   69.903  875.015   97.712  798.912  100.044  262.630   14.961  250.605   16.071 12.02557 21.95693 
1 1 1   -4   22   27 o  100.027   11.805  127.642   28.920  123.520   44.264  130.712   38.200   96.864   18.978  100.441   15.748 -3.577095 24.66125 
1 1 1   -4   22   28 o  193.075   13.889  473.060   66.517  473.060   66.517   0.0000   0.0000  193.075   13.889  ?   ?  0.000000 13.88897 
1 1 1   -4   22   29 o  373.112   13.636  1757.28  127.052  1900.61  179.354  1612.91  180.005  386.230   18.596  354.530   20.418 31.70001 27.61725 
1 1 1   -4   22   30 o  427.101   14.975  2308.02  159.714  2354.87  225.114  2260.53  226.632  428.678   21.029  419.132   21.728 9.546448 30.23761 
1 1 1   -4   22   31 o  236.196   10.799  701.471   63.696  808.304   89.563  592.136   90.605  252.503   14.262  215.269   16.993 37.23322 22.18492 
1 1 1   -4   22   32 o  216.750   10.685  590.714   57.834  678.561   80.983  499.278   82.620  231.301   14.088  197.553   16.911 33.74854 22.00972 
1 1 1   -4   22   33 o   97.056   14.760  121.826   34.647   91.204   69.518  131.945   39.963   84.881   28.134  100.701   16.461 -15.82021 32.59552 
1 1 1   -4   22   34 o  147.593   12.894  276.963   47.044  245.337   91.713  288.256   54.803  134.476   28.211  150.175   14.806 -15.69901 31.86063 
1 1 1   -4   22   35 o  244.402   13.366  757.155   81.264  739.380  146.473  765.060   97.676  237.095   25.122  244.871   16.062 -7.775421 29.81788 
1 1 1   -4   22   36 o   90.815   16.583  108.173   36.222  127.142   82.419  103.632   40.326   97.394   30.490   88.352   18.852 9.042633 35.84779 
1 1 1   -4   22   37 o  117.036   15.271  177.059   43.569  136.704   98.315  186.921   48.602  101.068   33.455  119.923   16.681 -18.85551 37.38317 
1 1 1   -4   22   38 o  111.143   15.226  160.282   41.147  129.012   93.768  167.740   45.792   97.962   32.684  113.335   16.679 -15.37283 36.69368 
1 1 1   -4   22   39 o  114.398   14.243  169.305   39.806  140.717   96.577  175.155   43.690  100.797   33.148  116.037   15.463 -15.23934 36.57719 
1 1 1   -4   22   40 o  275.089   16.771  980.332  114.660  1038.92  179.331  939.819  149.123  276.138   26.325  265.374   22.722 10.76367 34.77489 
1 1 1   -4   22   41 o  306.637   18.778  1235.44  143.096  1109.65  217.300  1331.75  190.144  278.076   31.868  313.042   24.520 -34.96585 40.20948 
1 1 1   -4   22   42 o  122.991   13.771  196.710   41.568  218.266  111.019  193.195   44.829  118.942   35.020  121.387   15.117 -2.444870 38.14363 
1 1 1   -4   22   43 o  147.608   13.238  282.459   48.277  434.254  129.320  257.879   52.039  170.653   31.507  140.214   15.101 30.43962 34.93847 
1 1 1   -4   22   44 o  124.106   13.969  201.714   42.539  167.249  133.616  205.601   44.874  103.129   38.550  125.026   14.651 -21.89675 41.23978 
1 1 1   -4   22   45 o   94.652   15.795  120.275   36.018   16.502  140.108  127.618   37.271   78.009   34.927   97.536   15.846 -19.52671 38.35353 
1 1 1   -4   22   46 o   98.196   15.339  129.307   36.384  107.422  148.585  130.703   37.526   90.770   38.291   98.544   15.782 -7.774612 41.41616 
1 1 1   -4   23    1 o  417.064   14.445  2209.14  150.441  2174.46  214.304  2242.83  211.242  409.448   21.031  416.819   20.295 -7.371490 29.22592 
1 1 1   -4   23    2 o  264.296   10.636  879.959   70.195  917.619  101.516  845.454   97.169  268.245   15.217  257.461   15.181 10.78461 21.49474 
1 1 1   -4   23    3 o  195.282   9.6332  479.491   46.977  478.243   68.700  480.587   64.381  193.715   14.303  194.447   13.339 -0.7321320 19.55790 
1 1 1   -4   23    4 o  535.259   25.607  3746.61  342.269  3544.87  485.797  3945.47  482.305  505.048   38.816  536.418   36.218 -31.36972 53.08832 
1 1 1   -4   23    5 o  201.960   9.6300  512.533   48.567  538.846   70.487  488.750   67.013  205.952   13.785  196.106   13.771 9.845413 19.48543 
1 1 1   -4   23    6 o   91.850   10.081  107.290   22.742  103.819   35.014  109.822   29.909   89.070   16.344   92.322   13.362 -3.252014 21.11093 
1 1 1   -4   23    7 o  182.381   9.5198  418.823   43.207  407.753   62.038  429.250   60.210  179.081   13.983  183.945   13.195 -4.863663 19.22645 
1 1 1   -4   23    8 o  313.446   11.710  1236.98   91.656  1199.07  130.079  1274.37  129.169  306.735   17.049  316.484   16.400 -9.749512 23.65680 
1 1 1   -4   23    9 o  232.739   9.5835  679.995   55.698  737.901   79.437  623.996   78.118  241.509   13.222  221.805   14.178 19.70381 19.38625 
1 1 1   -4   23   10 o  541.198   25.175  3790.09  340.235  3604.59  480.011  3977.39  482.326  515.825   37.522  543.932   35.708 -28.10754 51.79709 
1 1 1   -4   23   11 o  191.837   13.915  466.847   66.208  516.781   92.208  413.705   95.124  200.693   18.610  178.447   21.800 22.24574 28.66317 
1 1 1   -4   23   12 o  333.780   12.130  1402.34  101.106  1329.42  142.772  1475.71  143.201  323.036   17.767  341.138   16.810 -18.10114 24.45894 
1 1 1   -4   23   13 o   95.118   9.7703  114.730   22.877  101.317   31.436  129.832   33.356   88.409   14.759  100.574   13.633 -12.16499 20.09196 
1 1 1   -4   23   14 o  402.032   13.925  2039.35  139.796  2081.73  197.397  1996.72  198.006  404.144   19.559  395.090   20.136 9.053650 28.07187 
1 1 1   -4   23   15 o  156.728   8.9439  309.023   34.859  308.132   48.073  310.011   50.623  155.954   12.448  156.313   13.089 -0.3590698 18.06315 
1 1 1   -4   23   16 o  163.187   9.2449  335.109   37.519  361.085   51.996  306.892   54.193  168.903   12.415  155.313   14.127 13.58961 18.80686 
1 1 1   -4   23   17 o  228.475   9.8919  655.285   56.438  655.286   78.591  655.283   81.097  227.470   13.902  227.365   14.357 0.1054077 19.98509 
1 1 1   -4   23   18 o  248.005   10.093  772.326   62.508  713.953   86.799  835.213   90.093  237.256   14.723  256.842   14.101 -19.58633 20.38616 
1 1 1   -4   23   19 o  202.772   13.067  520.408   65.815  423.869   92.536  619.236   93.626  180.933   20.863  220.242   17.159 -39.30930 27.01254 
1 1 1   -4   23   20 o  268.799   15.066  916.609  100.718  918.941  142.488  914.279  142.386  266.963   21.557  266.263   21.601 0.6996460 30.51740 
1 1 1   -4   23   21 o  252.337   10.588  800.196   66.720  792.912   92.955  807.937   95.822  249.954   14.961  252.231   15.285 -2.276596 21.38851 
1 1 1   -4   23   22 o  149.911   9.1730  283.021   34.174  245.303   45.953  329.694   51.118  138.808   13.425  161.232   12.801 -22.42448 18.55006 
1 1 1   -4   23   23 o  200.686   9.6702  505.649   48.462  507.516   66.643  503.553   70.600  200.114   13.414  199.130   14.293 0.9846802 19.60130 
1 1 1   -4   23   24 o  201.650   9.7859  510.616   49.278  518.671   67.828  501.613   71.712  202.280   13.506  198.670   14.556 3.609970 19.85646 
1 1 1   -4   23   25 o  358.089   13.100  1617.57  117.141  1675.09  164.552  1558.48  166.795  362.232   18.250  348.948   19.215 13.28476 26.50084 
1 1 1   -4   23   26 o  314.560   14.448  1251.09  113.490  1225.62  195.346  1264.07  139.434  306.241   25.784  314.693   17.816 -8.451752 31.34070 
1 1 1   -4   23   27 o  145.978   11.645  269.930   42.096  273.212   47.843  258.679   88.589  146.570   13.213  138.933   26.501 7.637177 29.61268 
1 1 1   -4   23   28 o  286.341   11.513  1032.04   82.322  1125.59  115.231  934.509  117.650  297.665   15.556  270.520   17.510 27.14478 23.42179 
1 1 1   -4   23   29 o  388.098   14.208  1903.97  137.700  2215.39  194.236  1589.31  195.243  416.788   18.662  350.755   22.408 66.03317 29.16122 
1 1 1   -4   23   30 o  234.357   10.579  690.534   61.912  759.562   86.299  617.329   88.871  244.726   14.182  219.976   16.294 24.74962 21.60167 
1 1 1   -4   23   31 o  134.882   10.116  229.883   33.826  232.793   46.199  226.520   49.661  135.038   13.899  132.893   15.240 2.144943 20.62625 
1 1 1   -4   23   32 o  125.894   10.482  200.641   32.655  205.219   44.113  195.092   48.569  126.623   14.195  122.956   16.214 3.666893 21.54992 
1 1 1   -4   23   33 o  180.063   10.978  409.534   49.126  450.253   68.117  365.397   70.918  188.027   14.622  168.637   17.076 19.38977 22.48092 
1 1 1   -4   23   34 o  208.166   13.202  549.678   68.270  537.833  122.766  554.981   82.143  201.962   24.867  208.442   15.901 -6.480469 29.51655 
1 1 1   -4   23   35 o  213.571   13.504  579.347   71.651  641.233  128.840  551.638   86.212  220.993   23.717  207.419   16.788 13.57401 29.05779 
1 1 1   -4   23   36 o  190.271   12.650  459.743   59.762  475.695  110.999  453.232   70.919  189.591   23.981  188.209   15.220 1.382095 28.40318 
1 1 1   -4   23   37 o  112.345   14.509  163.041   39.754  349.893   92.510  120.720   44.027  162.013   23.556   95.203   19.182 66.80994 30.37795 
1 1 1   -4   23   38 o  154.885   13.131  306.788   50.308  397.832  104.413  279.262   57.411  171.686   25.095  146.901   15.904 24.78503 29.71001 
1 1 1   -4   23   39 o  169.696   13.007  368.520   54.699  438.631  113.505  347.312   62.426  179.133   26.144  163.899   15.434 15.23398 30.36015 
1 1 1   -4   23   40 o  331.299   15.464  1413.12  127.940  1692.46  237.590  1299.04  151.834  350.734   27.343  314.401   19.434 36.33325 33.54585 
1 1 1   -4   23   41 o  229.143   16.511  685.167   93.846  642.005  152.299  711.588  119.156  212.198   29.542  230.595   20.920 -18.39705 36.19968 
1 1 1   -4   23   42 f  136.940   16.187  247.263   54.282  334.627  116.176  222.864   61.396  149.419   32.093  128.271   19.805 21.14842 37.71222 
1 1 1   -4   23   43 o  119.417   14.129  186.839   41.317  185.497  120.390  187.018   43.988  107.926   37.028  119.073   15.136 -11.14749 40.00224 
1 1 1   -4   23   44 o  124.628   14.587  204.488   44.538  281.374  135.929  195.242   47.140  128.715   38.955  121.133   15.974 7.582489 42.10259 
1 1 1   -4   23   45 o  100.610   15.828  135.823   38.453  178.147  132.156  131.909   40.192  103.746   38.425   98.652   16.924 5.093552 41.98734 
1 1 1   -4   23   46 o  127.097   15.056  214.863   46.856   0.0000   0.0000  214.863   46.856  ?   ?   127.097   15.056 0.000000 15.05580 
1 1 1   -4   24    1 o  166.990   15.156  358.213   62.514  358.213   62.514   0.0000   0.0000  166.990   15.156  ?   ?  0.000000 15.15620 
1 1 1   -4   24    2 o  156.632   9.8304  310.120   38.256  270.570   58.163  340.276   50.787  144.644   16.392  163.494   12.535 -18.85020 20.63540 
1 1 1   -4   24    3 o  222.190   10.114  621.775   56.117  620.175   81.837  623.196   77.099  220.299   14.965  221.142   14.034 -0.8423615 20.51576 
1 1 1   -4   24    4 o  288.589   11.149  1050.48   80.349  1058.13  115.412  1043.29  111.930  287.632   16.133  285.763   15.746 1.869324 22.54370 
1 1 1   -4   24    5 o  212.839   9.5377  569.695   50.693  587.753   73.987  553.716   69.596  214.908   13.860  208.690   13.426 6.218567 19.29667 
1 1 1   -4   24    6 o  141.881   12.697  256.394   44.510  259.165   70.494  254.558   57.399  140.428   20.725  140.370   16.703 0.5830383E-01 26.61812 
1 1 1   -4   24    7 o  184.513   9.3518  428.912   42.949  418.570   62.215  438.327   59.363  181.306   13.846  185.800   12.874 -4.494614 18.90629 
1 1 1   -4   24    8 o   96.073   9.7042  117.181   22.962  103.297   34.868  127.814   30.514   88.784   16.328   99.865   12.510 -11.08104 20.57008 
1 1 1   -4   24    9 o  305.889   11.256  1178.58   85.977  1195.72  122.138  1161.74  121.049  306.341   16.022  301.910   16.114 4.430176 22.72347 
1 1 1   -4   24   10 o  185.964   9.3563  435.432   43.311  435.818   61.890  435.061   60.631  185.221   13.473  185.123   13.202 0.9770203E-01 18.86301 
1 1 1   -4   24   11 o  253.127   10.427  805.770   65.908  817.954   93.350  793.659   93.066  253.704   14.799  249.841   14.986 3.862869 21.06150 
1 1 1   -4   24   12 o  167.663   13.646  357.492   56.640  341.582   77.472  375.760   83.017  162.334   19.501  170.238   19.904 -7.903793 27.86514 
1 1 1   -4   24   13 o  331.134   17.537  1399.66  144.498  1403.76  202.501  1395.41  206.253  328.025   24.907  326.721   25.481 1.303741 35.63229 
1 1 1   -4   24   14 o  310.192   11.701  1211.79   90.640  1208.85  127.848  1214.76  128.524  308.026   16.683  308.763   16.731 -0.7368164 23.62774 
1 1 1   -4   24   15 o  206.996   9.6310  538.106   49.784  533.154   69.584  543.299   71.255  205.001   13.671  206.902   13.871 -1.901428 19.47593 
1 1 1   -4   24   16 o  378.426   13.434  1808.25  126.949  1955.88  179.243  1659.65  179.826  391.694   18.325  359.546   20.109 32.14841 27.20623 
1 1 1   -4   24   17 o  199.518   9.5352  499.854   47.507  483.442   66.023  517.475   68.412  195.182   13.631  201.964   13.645 -6.781235 19.28705 
1 1 1   -4   24   18 o  331.803   12.468  1387.97  103.305  1453.85  145.405  1320.82  146.796  337.670   17.302  321.384   18.367 16.28589 25.23326 
1 1 1   -4   24   19 o  401.361   13.963  2035.89  139.950  2060.37  197.126  2011.01  198.722  401.395   19.666  395.845   20.170 5.549438 28.17094 
1 1 1   -4   24   20 o  426.700   14.383  2302.81  153.258  2241.76  215.602  2365.16  217.896  418.178   20.646  429.717   20.306 -11.53845 28.95836 
1 1 1   -4   24   21 o  357.183   18.077  1629.53  160.716  1604.46  227.258  1654.61  227.315  350.160   26.179  355.879   25.753 -5.718689 36.72251 
1 1 1   -4   24   22 o  317.780   16.707  1286.41  132.117  1277.49  186.879  1295.33  186.805  313.375   24.064  315.666   23.874 -2.291077 33.89802 
1 1 1   -4   24   23 o  224.523   9.9871  633.393   55.995  606.185   77.071  663.815   81.493  218.505   14.202  228.659   14.345 -10.15364 20.18547 
1 1 1   -4   24   24 o   85.518   11.085   93.526   23.116   99.109   30.179   85.601   35.957   87.433   14.318   80.401   18.318 7.031708 23.24945 
1 1 1   -4   24   25 o  280.518   11.107  990.237   77.807  969.685  108.094  1012.34  112.086  276.081   15.744  282.028   15.981 -5.946747 22.43352 
1 1 1   -4   24   26 o  111.841   10.299  158.540   28.440  154.896   37.831  163.275   43.128  109.817   14.123  112.417   15.799 -2.600563 21.19095 
1 1 1   -4   24   27 o  113.476   10.043  163.055   28.166  154.333   36.766  175.448   43.823  109.699   13.721  116.694   15.416 -6.995476 20.63793 
1 1 1   -4   24   28 f  145.763   9.9969  268.212   36.168  286.710   48.689  245.437   54.025  150.157   13.117  138.214   15.945 11.94316 20.64705 
1 1 1   -4   24   29 o  262.315   11.296  866.209   73.993  978.440  103.147  747.224  106.205  277.562   14.936  241.589   17.728 35.97238 23.18137 
1 1 1   -4   24   30 f  242.527   10.669  739.866   64.615  738.662   89.407  741.183   93.490  241.040   14.927  241.255   15.602 -0.2152557 21.59225 
1 1 1   -4   24   31 o  302.064   11.952  1150.06   90.156  1251.97  125.959  1043.00  129.099  313.560   16.141  285.355   18.212 28.20563 24.33543 
1 1 1   -4   24   32 o  440.997   15.379  2467.23  169.363  2546.94  238.440  2386.07  240.605  444.741   21.469  429.290   22.523 15.45114 31.11614 
1 1 1   -4   24   33 o  188.727   10.436  449.457   48.993  496.903   68.000  398.240   70.650  197.697   13.862  176.264   16.233 21.43292 21.34619 
1 1 1   -4   24   34 o  163.317   10.888  337.398   44.151  396.321   60.189  268.762   64.962  176.415   13.772  143.811   18.519 32.60356 23.07864 
1 1 1   -4   24   35 o  222.522   13.127  628.793   72.618  532.589  128.522  673.911   88.015  199.635   26.430  229.671   15.436 -30.03690 30.60753 
1 1 1   -4   24   36 o  142.192   14.092  259.185   49.379  299.369   97.419  245.292   57.282  148.153   27.339  137.464   17.053 10.68927 32.22180 
1 1 1   -4   24   37 o  167.278   13.036  357.205   54.023  481.725  105.241  312.653   62.950  190.628   22.544  155.397   16.473 35.23128 27.92147 
1 1 1   -4   24   38 o  217.348   13.394  603.598   72.343  621.006  133.117  596.302   86.181  214.404   25.354  214.911   16.177 -0.5061340 30.07488 
1 1 1   -4   24   39 o  108.141   15.278  152.919   40.108   82.429   89.992  170.391   44.804   83.593   31.557  113.954   16.201 -30.36117 35.47278 
1 1 1   -4   24   40 o  105.980   15.689  147.862   40.268  143.910  100.438  148.619   43.955   99.998   33.825  105.715   17.245 -5.717407 37.96709 
1 1 1   -4   24   41 o  163.500   13.352  345.306   54.041  464.796  119.193  314.388   60.631  181.304   27.163  154.883   15.902 26.42090 31.47515 
1 1 1   -4   24   42 f  153.002   16.340  309.000   61.467  300.095  119.158  312.229   71.750  138.737   34.530  152.233   19.308 -13.49635 39.56197 
1 1 1   -4   24   43 o  138.193   16.968  254.736   57.326  332.357  130.529  236.186   63.810  143.365   36.395  131.369   20.089 11.99623 41.57155 
1 1 1   -4   24   44 o   61.593   19.187   51.357   32.682  -9.5386  118.593   56.362   33.999   70.053   31.682   64.173   19.496 5.880684 37.19959 
1 1 1   -4   24   45 o   96.765   16.686  127.024   38.865   97.706  132.284  129.794   40.659   87.805   36.521   97.550   17.326 -9.745445 40.42186 
1 1 1   -4   25    1 o  106.950   10.869  145.943   28.624  121.188   48.460  159.209   35.474   94.721   21.035  111.260   13.014 -16.53932 24.73530 
1 1 1   -4   25    2 o  428.435   21.085  2390.95  225.580  2443.80  319.866  2338.66  318.176  422.893   30.494  412.976   31.081 9.917755 43.54155 
1 1 1   -4   25    3 o  214.820   10.262  581.898   55.048  581.409   80.984  582.318   75.053  212.934   15.333  213.513   14.157 -0.5792694 20.86867 
1 1 1   -4   25    4 o  319.083   11.926  1287.70   95.024  1270.77  136.289  1303.72  132.557  314.260   17.435  318.702   16.714 -4.441193 24.15273 
1 1 1   -4   25    5 o  131.219   10.175  218.216   33.080  182.765   50.669  244.553   43.673  118.168   17.717  138.394   12.781 -20.22638 21.84597 
1 1 1   -4   25    6 o  195.097   9.6628  479.043   47.077  470.599   68.897  486.438   64.476  191.911   14.483  195.479   13.287 -3.568100 19.65465 
1 1 1   -4   25    7 o  230.789   10.073  670.643   58.056  698.704   84.095  645.092   80.246  234.114   14.455  224.951   14.360 9.163025 20.37554 
1 1 1   -4   25    8 o  182.573   12.970  423.863   58.749  437.322   88.089  413.081   78.845  183.413   19.533  178.773   17.902 4.640076 26.49581 
1 1 1   -4   25    9 o  166.693   9.7319  350.682   40.334  295.911   58.063  401.763   56.072  151.768   15.539  177.820   12.711 -26.05136 20.07596 
1 1 1   -4   25   10 o  132.368   9.6122  221.452   31.556  171.369   45.814  266.664   43.528  114.883   16.438  144.833   12.147 -29.94945 20.43944 
1 1 1   -4   25   11 o  376.011   13.327  1788.79  125.140  1856.69  177.412  1721.55  176.541  380.690   18.662  365.733   19.399 14.95657 26.91857 
1 1 1   -4   25   12 o  341.876   12.152  1475.16  103.743  1466.77  146.606  1483.58  146.824  338.587   17.398  340.562   17.321 -1.975067 24.55039 
1 1 1   -4   25   13 o  376.968   13.174  1796.52  124.012  1763.72  175.209  1829.44  175.550  370.601   18.996  378.096   18.593 -7.495148 26.58091 
1 1 1   -4   25   14 o  171.600   14.027  375.177   59.582  395.584   81.227  351.410   87.662  174.850   18.904  163.663   22.007 11.18700 29.01154 
1 1 1   -4   25   15 o  171.128   14.159  373.207   59.961  395.658   81.274  346.389   88.825  174.891   18.910  162.325   22.520 12.56650 29.40638 
1 1 1   -4   25   16 o  324.166   11.960  1325.09   96.813  1207.73  135.698  1446.76  138.165  307.183   17.766  337.263   16.405 -30.07962 24.18157 
1 1 1   -4   25   17 o  230.652   10.282  669.089   59.221  630.760   82.821  709.190   84.714  222.566   14.989  236.216   14.431 -13.64998 20.80643 
1 1 1   -4   25   18 o  366.957   13.367  1701.87  122.488  1741.82  172.341  1661.09  174.119  368.633   18.784  359.627   19.461 9.005585 27.04741 
1 1 1   -4   25   19 o  192.172   9.2970  463.822   44.616  406.315   61.297  528.612   65.063  178.716   13.843  204.229   12.823 -25.51347 18.86917 
1 1 1   -4   25   20 o  208.340   9.7416  545.450   50.682  494.546   69.796  602.232   73.716  197.166   14.272  217.843   13.619 -20.67746 19.72766 
1 1 1   -4   25   21 o  407.804   14.228  2104.91  144.891  2057.07  203.675  2153.92  206.162  399.787   20.470  409.751   20.148 -9.963989 28.72241 
1 1 1   -4   25   22 o  232.202   10.006  677.763   58.021  616.722   79.779  746.300   84.536  220.207   14.591  242.489   14.020 -22.28175 20.23489 
1 1 1   -4   25   23 o  302.575   16.067  1166.10  120.964  988.334  170.602  1345.84  171.541  274.540   25.164  322.716   21.408 -48.17630 33.03840 
1 1 1   -4   25   24 o  162.430   12.825  335.066   51.596  357.900   73.437  312.808   72.506  166.614   17.933  155.309   19.098 11.30499 26.19736 
1 1 1   -4   25   25 o  160.579   18.537  333.415   72.966   0.0000   0.0000  333.415   72.966  ?   ?   160.579   18.537 0.000000 18.53661 
1 1 1   -4   25   26 o  106.665   13.817  146.174   35.938  146.174   35.938   0.0000   0.0000  106.665   13.817  ?   ?  0.000000 13.81685 
1 1 1   -4   25   27 o  106.469   10.327  143.859   27.112  112.948   35.242  188.684   42.439   93.127   15.713  121.300   14.284 -28.17307 21.23562 
1 1 1   -4   25   28 o  261.236   10.819  858.815   70.576  833.877   97.139  886.698  102.713  255.991   15.265  263.874   15.658 -7.883209 21.86732 
1 1 1   -4   25   29 o  184.521   10.176  429.388   46.707  444.448   63.111  411.150   69.450  187.018   13.607  179.323   15.666 7.694748 20.75040 
1 1 1   -4   25   30 o  239.850   10.846  724.127   64.962  773.888   89.507  668.739   94.432  246.738   14.592  228.678   16.651 18.06049 22.13972 
1 1 1   -4   25   31 o  258.295   11.307  840.506   72.932  870.124  100.833  808.012  105.616  261.342   15.520  251.334   16.926 10.00862 22.96467 
1 1 1   -4   25   32 o  435.565   15.209  2408.43  165.426  2586.71  232.760  2226.47  235.154  448.200   20.796  413.980   22.835 34.22000 30.88579 
1 1 1   -4   25   33 o  152.502   10.699  294.295   40.486  348.157   54.664  228.850   60.256  165.358   13.352  132.435   18.743 32.92297 23.01296 
1 1 1   -4   25   34 o  294.135   12.544  1093.89   92.140  1163.73  128.204  1019.27  132.515  301.317   17.109  281.086   18.990 20.23123 25.56059 
1 1 1   -4   25   35 o  343.107   12.901  1491.17  110.535  1588.99  154.647  1389.00  158.050  352.027   17.592  327.689   19.401 24.33783 26.18914 
1 1 1   -4   25   36 o  139.765   13.971  250.813   48.107  232.388   95.308  257.112   55.727  128.597   30.195  140.895   16.129 -12.29807 34.23255 
1 1 1   -4   25   37 o  179.329   13.029  410.902   57.947  364.765  106.841  430.130   68.972  162.851   27.234  182.740   15.254 -19.88913 31.21488 
1 1 1   -4   25   38 o  241.460   13.570  746.344   81.492  776.812  147.928  733.068   97.645  239.463   25.111  237.885   16.540 1.577652 30.06929 
1 1 1   -4   25   39 o  144.398   13.910  269.439   49.536  294.231  102.310  261.848   56.615  143.247   29.581  141.440   16.329 1.806625 33.78838 
1 1 1   -4   25   40 o  172.695   13.548  384.980   57.958  508.221  115.432  343.438   67.018  191.885   24.661  161.609   16.854 30.27563 29.86997 
1 1 1   -4   25   41 o  135.514   13.953  239.150   46.544  266.016  101.455  231.988   52.382  133.277   31.059  132.535   16.162 0.7419128 35.01204 
1 1 1   -4   25   42 o  179.076   13.724  416.708   60.905  493.488  129.639  394.961   68.993  183.353   29.300  173.023   16.155 10.32916 33.45879 
1 1 1   -4   25   43 o  164.198   16.477  358.039   66.649  420.512  133.039  337.106   77.010  164.128   33.591  157.062   20.096 7.065643 39.14335 
1 1 1   -4   25   44 o  163.804   16.713  358.222   67.407  398.478  135.693  345.034   77.668  156.631   35.511  158.543   20.067 -1.912064 40.78845 
1 1 1   -4   25   45 o   82.001   21.926   96.698   45.768   0.0000   0.0000   96.698   45.768  ?   ?    82.001   21.926 0.000000 21.92621 
1 1 1   -4   26    1 o  106.596   10.148  144.724   26.686  166.596   47.126  134.399   32.378  112.499   17.331  102.034   13.003 10.46535 21.66677 
1 1 1   -4   26    2 o  115.625   10.250  170.057   29.288  196.856   50.206  156.234   36.059  122.704   16.828  110.057   13.397 12.64727 21.50972 
1 1 1   -4   26    3 o   57.512   19.341   40.681   32.836   42.376   48.658   39.264   44.496   62.794   23.304   60.373   22.309 2.420849 32.26128 
1 1 1   -4   26    4 o  144.443   14.332  268.273   51.013  255.865   72.336  280.549   71.951  138.547   21.613  145.701   20.329 -7.154251 29.67153 
1 1 1   -4   26    5 o   99.529   10.626  126.409   26.002  125.139   43.079  127.137   32.613   97.052   18.449   99.170   13.522 -2.117584 22.87379 
1 1 1   -4   26    6 o  181.760   9.8947  417.491   44.742  416.080   66.505  418.658   60.474  180.092   14.922  181.099   13.468 -1.007095 20.10160 
1 1 1   -4   26    7 o  111.874   10.262  159.061   28.350  153.773   44.997  162.541   36.507  108.294   17.215  112.458   13.254 -4.164352 21.72657 
1 1 1   -4   26    8 o  224.544   10.355  635.544   58.061  602.529   83.894  665.894   80.437  216.815   15.599  228.489   14.167 -11.67412 21.07253 
1 1 1   -4   26    9 o  180.146   9.6818  409.642   43.395  407.208   63.114  411.824   59.761  178.480   14.280  179.740   13.411 -1.260056 19.59046 
1 1 1   -4   26   10 o  231.906   13.895  684.785   80.094  729.379  117.492  646.071  109.473  236.939   20.045  222.984   19.868 13.95474 28.22345 
1 1 1   -4   26   11 o  450.339   15.139  2580.24  170.249  2586.19  241.045  2574.31  240.494  446.562   21.615  445.536   21.616 1.026337 30.56910 
1 1 1   -4   26   12 o  447.079   15.074  2541.63  168.287  2536.23  238.157  2547.02  237.831  442.444   21.555  443.443   21.477 -0.9982910 30.42875 
1 1 1   -4   26   13 o  187.032   10.091  441.555   46.955  392.461   66.556  490.203   66.254  175.016   15.385  196.255   13.603 -21.23819 20.53601 
1 1 1   -4   26   14 o  295.111   11.361  1098.37   83.721  1124.21  117.900  1072.09  118.906  296.716   15.971  289.514   16.515 7.202026 22.97431 
1 1 1   -4   26   15 o  275.674   10.978  957.685   75.575  981.883  106.556  933.190  107.205  277.486   15.439  270.306   15.953 7.179962 22.20005 
1 1 1   -4   26   16 o  203.855   14.658  529.918   74.121  565.657  100.996  488.199  109.119  208.991   19.580  192.650   23.145 16.34021 30.31645 
1 1 1   -4   26   17 o   73.995   18.978   72.835   35.236   66.428   43.664   84.797   59.663   71.566   22.158   80.941   26.014 -9.375175 34.17220 
1 1 1   -4   26   18 o  219.117   9.9899  603.923   54.663  620.521   76.174  586.301   78.487  220.938   13.877  214.489   14.743 6.449326 20.24670 
1 1 1   -4   26   19 o  347.722   12.561  1527.20  109.071  1521.45  153.130  1533.12  155.394  344.627   17.855  345.850   18.055 -1.222504 25.39255 
1 1 1   -4   26   20 o  282.544   11.342  1006.14   80.025  1023.93  111.979  987.566  114.404  283.344   15.890  278.003   16.554 5.340881 22.94661 
1 1 1   -4   26   21 o  267.090   11.112  898.691   74.115  955.990  103.307  837.920  106.391  274.033   15.155  255.953   16.738 18.07993 22.57946 
1 1 1   -4   26   22 o  439.657   15.025  2452.77  164.956  2419.90  231.906  2486.43  234.686  433.123   21.441  439.060   21.405 -5.937347 30.29672 
1 1 1   -4   26   23 o  238.039   10.164  712.718   60.419  633.781   82.917  802.073   88.220  223.037   14.974  251.286   14.116 -28.24899 20.57870 
1 1 1   -4   26   24 o  105.773   16.120  145.323   41.232   0.0000   0.0000  145.323   41.232  ?   ?   105.773   16.120 0.000000 16.12010 
1 1 1   -4   26   25 o  153.270   11.947  298.020   45.364  320.038   50.569  207.267  102.664  158.666   12.874  122.075   32.923 36.59026 35.35045 
1 1 1   -4   26   26 o  335.366   17.458  1438.27  145.701  1346.18  206.120  1530.24  205.984  319.849   26.032  342.259   24.258 -22.41013 35.58244 
1 1 1   -4   26   27 f  164.455   13.301  344.081   54.156  286.463   77.109  400.166   76.077  147.660   21.546  176.299   17.512 -28.63936 27.76538 
1 1 1   -4   26   28 o  185.631   13.664  438.265   62.895  401.680   89.895  473.346   88.028  175.508   20.924  191.497   18.644 -15.98909 28.02518 
1 1 1   -4   26   29 o  212.643   10.445  569.045   55.465  573.631   75.041  563.521   82.344  212.329   14.235  209.983   15.820 2.346603 21.28152 
1 1 1   -4   26   30 o  158.971   10.262  319.277   40.519  305.974   53.517  337.148   62.026  154.826   13.993  162.194   15.503 -7.368378 20.88412 
1 1 1   -4   26   31 o  270.469   11.278  922.155   76.175  906.221  104.589  940.156  111.169  266.469   15.788  271.163   16.496 -4.693207 22.83351 
1 1 1   -4   26   32 o  275.949   11.741  961.056   80.910  1076.78  111.887  834.209  117.142  290.560   15.476  254.442   18.564 36.11772 24.16913 
1 1 1   -4   26   33 o  276.444   11.818  965.222   81.584  1019.48  112.853  905.819  118.077  282.314   16.074  265.282   17.929 17.03210 24.07998 
1 1 1   -4   26   34 o  402.599   14.774  2063.05  148.531  2206.74  208.207  1914.15  211.953  412.989   20.189  382.628   22.279 30.36090 30.06542 
1 1 1   -4   26   35 o  272.248   11.576  937.513   78.699  1007.27  108.828  861.041  113.944  280.320   15.608  258.103   17.787 22.21698 23.66446 
1 1 1   -4   26   36 o  131.467   10.264  219.529   33.430  189.775   43.627  261.849   52.030  121.048   14.737  142.417   14.848 -21.36964 20.91994 
1 1 1   -4   26   37 o  105.906   16.372  147.562   41.901  158.969   82.353  143.577   48.672  105.578   29.887  103.384   19.570 2.194122 35.72366 
1 1 1   -4   26   38 o  149.245   14.007  287.706   51.591  342.879  104.239  269.807   59.372  156.182   27.743  143.408   16.904 12.77478 32.48730 
1 1 1   -4   26   39 o  240.261   14.045  744.368   83.898  774.706  151.104  730.847  100.876  236.378   26.030  236.195   17.221 0.1828308 31.21123 
1 1 1   -4   26   40 o   71.571   19.457   70.300   35.688   93.513   83.775   65.153   39.446   83.848   30.671   69.168   20.996 14.68073 37.16915 
1 1 1   -4   26   41 o  117.563   15.723  183.128   45.003  229.672  100.746  171.526   50.300  121.956   32.495  112.487   18.554 9.469360 37.41862 
1 1 1   -4   26   42 o  106.510   16.858  152.659   43.346  196.102  103.932  143.511   47.691  110.849   34.164  102.057   19.423 8.791321 39.29893 
1 1 1   -4   26   43 o  153.863   13.850  309.827   52.644  525.370  120.769  259.262   58.494  190.820   26.023  138.914   17.232 51.90631 31.21117 
1 1 1   -4   26   44 o   75.444   22.178   81.233   44.557   0.0000   0.0000   81.233   44.557  ?   ?    75.444   22.178 0.000000 22.17839 
1 1 1   -4   27    1 o  324.588   13.342  1343.85  108.146  1126.05  156.763  1541.63  149.387  291.448   21.695  344.719   17.410 -53.27118 27.81686 
1 1 1   -4   27    2 o  292.788   11.671  1087.33   85.334  1102.43  125.679  1074.41  116.235  291.621   17.336  288.556   16.196 3.065979 23.72473 
1 1 1   -4   27    3 o   96.132   11.994  118.968   28.167   81.859   50.752  135.486   33.861   78.032   23.845  102.274   13.595 -24.24178 27.44785 
1 1 1   -4   27    4 o  351.545   12.958  1571.21  113.757  1570.27  163.788  1572.09  158.117  347.460   18.948  348.166   18.250 -0.7052002 26.30753 
1 1 1   -4   27    5 o   86.107   18.578   99.340   38.776   72.524   54.640  126.547   55.036   75.008   24.946   96.179   23.186 -21.17165 34.05721 
1 1 1   -4   27    6 o   52.511   14.294   36.295   19.246   10.117   38.739   44.874   22.177   47.946   19.838   58.200   15.122 -10.25378 24.94399 
1 1 1   -4   27    7 o   45.987   14.005   27.071   17.530   26.560   36.191   27.228   20.038   52.583   19.973   46.746   15.082 5.836380 25.02773 
1 1 1   -4   27    8 o  349.747   12.131  1549.15  105.948  1647.24  151.731  1455.81  148.005  358.249   16.961  335.962   17.704 22.28671 24.51718 
1 1 1   -4   27    9 o  199.087   10.219  501.055   50.635  500.757   74.008  501.317   69.428  197.598   15.113  198.037   14.132 -0.4393463 20.69089 
1 1 1   -4   27   10 o  277.584   11.392  973.614   78.966  972.340  112.950  974.833  110.442  275.157   16.515  275.693   16.112 -0.5358887 23.07241 
1 1 1   -4   27   11 o  347.435   18.118  1555.71  156.646  1519.43  224.244  1590.28  218.915  337.165   26.856  346.075   25.511 -8.909882 37.04142 
1 1 1   -4   27   12 o  310.003   16.690  1232.76  128.724  1216.47  184.792  1248.12  179.413  303.274   24.613  307.963   23.507 -4.688995 34.03484 
1 1 1   -4   27   13 o  355.445   13.067  1600.84  115.985  1575.21  164.192  1626.37  163.863  349.360   18.891  355.214   18.537 -5.853882 26.46671 
1 1 1   -4   27   14 o  276.729   11.213  966.391   77.487  983.270  109.602  949.525  109.563  277.232   15.898  272.299   16.186 4.933197 22.68744 
1 1 1   -4   27   15 o  122.995   10.043  191.711   30.576  153.911   43.299  229.308   43.183  108.659   16.474  133.955   13.076 -25.29552 21.03295 
1 1 1   -4   27   16 o   94.891   10.679  114.871   24.866  101.983   35.485  127.305   34.855   87.989   16.762   99.129   14.510 -11.14051 22.16964 
1 1 1   -4   27   17 o  168.663   9.6130  358.985   40.321  382.738   55.989  333.394   58.114  173.424   13.024  161.398   14.576 12.02574 19.54680 
1 1 1   -4   27   18 o  277.447   16.703  985.874  115.183  1114.73  159.318  844.775  166.719  292.467   21.975  251.724   26.940 40.74280 34.76598 
1 1 1   -4   27   19 o   95.428   17.999  120.168   41.319  106.730   50.560  147.190   71.696   88.989   22.684  103.679   27.312 -14.69034 35.50348 
1 1 1   -4   27   20 o  136.195   9.8170  234.528   33.164  220.199   45.064  251.460   48.984  131.094   13.981  140.132   14.194 -9.037903 19.92338 
1 1 1   -4   27   21 o  251.705   10.894  798.305   68.476  823.690   95.074  770.944   98.707  254.209   15.044  245.509   16.191 8.700134 22.10122 
1 1 1   -4   27   22 o  276.808   11.124  965.772   76.891  919.185  106.532  1016.43  111.091  268.268   15.975  282.204   15.828 -13.93597 22.48796 
1 1 1   -4   27   23 o  262.557   12.563  871.075   82.367  826.549  137.066  896.242  103.049  251.831   22.017  265.025   15.640 -13.19374 27.00660 
1 1 1   -4   27   24 o  303.553   11.969  1163.00   90.727  1212.40  126.149  1110.08  130.580  308.051   16.458  294.134   17.862 13.91754 24.28878 
1 1 1   -4   27   25 o  248.648   10.848  778.826   67.357  772.791   92.060  785.778   98.812  246.247   15.043  247.974   16.043 -1.726624 21.99260 
1 1 1   -4   27   26 o  130.291   9.9131  214.744   32.011  186.541   41.625  255.569   50.081  120.543   14.094  141.266   14.398 -20.72223 20.14791 
1 1 1   -4   27   27 o  109.423   10.681  152.194   28.814  128.067   36.887  189.962   46.151   99.284   15.375  121.285   15.599 -22.00127 21.90259 
1 1 1   -4   27   28 f  117.636   13.024  177.085   37.617  157.338   57.962  191.455   49.444  108.419   22.157  121.461   16.747 -13.04208 27.77383 
1 1 1   -4   27   29 o   93.014   15.728  112.956   35.229  134.787   51.957   94.378   47.930  100.355   21.387   83.846   22.446 16.50893 31.00352 
1 1 1   -4   27   30 o  101.807   15.581  134.758   38.352  128.513   57.181  139.864   51.707   97.433   23.723  102.345   20.937 -4.912552 31.64118 
1 1 1   -4   27   31 o  167.803   11.051  356.610   46.047  333.534   56.600  401.781   79.189  161.517   14.176  176.108   18.273 -14.59073 23.12702 
1 1 1   -4   27   32 o   57.085   15.224   42.951   22.101   40.658   27.291   47.321   37.673   56.380   17.528   61.924   20.717 -5.543396 27.13732 
1 1 1   -4   27   33 o  263.372   11.592  876.831   76.236  944.421  104.574  800.163  111.375  271.622   15.481  248.840   18.046 22.78165 23.77659 
1 1 1   -4   27   34 o  337.245   13.326  1445.35  112.227  1606.65  156.337  1273.87  161.200  352.747   17.805  312.112   20.802 40.63538 27.38140 
1 1 1   -4   27   35 o  123.582   11.100  194.767   33.891  214.985   44.146  165.750   52.887  129.152   13.907  111.396   19.734 17.75606 24.14248 
1 1 1   -4   27   36 o  177.006   10.169  397.365   44.758  383.523   59.568  415.310   67.828  172.717   13.930  179.252   15.299 -6.535645 20.69065 
1 1 1   -4   27   37 o   91.038   12.527  107.506   27.725  149.508   35.428   41.133   44.535  107.333   13.518   60.606   22.333 46.72676 26.10554 
1 1 1   -4   27   38 o   88.739   18.052  106.392   38.642   66.442   77.277  119.713   44.622   76.149   29.124   93.687   19.698 -17.53790 35.15951 
1 1 1   -4   27   39 o  101.559   16.818  137.867   41.160   63.325   82.872  162.277   47.423   75.954   29.851  109.924   17.892 -33.97011 34.80258 
1 1 1   -4   27   40 o  127.640   14.699  213.884   45.997  221.617   92.394  211.336   53.036  121.113   30.552  125.695   17.360 -4.581917 35.13977 
1 1 1   -4   27   41 o  133.029   15.489  234.121   50.491  288.828  112.372  220.282   56.518  135.532   33.414  127.637   18.252 7.895279 38.07386 
1 1 1   -4   27   42 o   55.317   19.671   37.601   34.167   13.430   89.385   41.738   36.975   65.775   28.738   57.800   20.473 7.975159 35.28444 
1 1 1   -4   27   43 o   82.867   19.280   96.146   39.147  150.195  103.551   87.134   42.285   96.997   34.271   78.270   21.138 18.72748 40.26585 
1 1 1   -4   27   44 o   58.602   20.581   44.291   37.295   0.0000   0.0000   44.291   37.295  ?   ?    58.602   20.581 0.000000 20.58057 
1 1 1   -4   28    1 o  148.675   11.753  282.839   43.279  177.402   71.076  344.968   54.560  112.225   25.889  163.692   13.467 -51.46741 29.18237 
1 1 1   -4   28    2 o  141.131   14.109  257.469   49.057  396.872  109.071  222.117   54.926  169.097   26.717  129.835   17.377 39.26262 31.87105 
1 1 1   -4   28    3 o  237.006   11.210  712.384   66.346  695.910  100.323  725.190   88.451  231.105   17.514  237.246   15.007 -6.141037 23.06384 
1 1 1   -4   28    4 o  227.330   11.231  655.049   63.759  610.990   95.454  690.541   85.673  216.469   17.816  231.663   14.888 -15.19398 23.21826 
1 1 1   -4   28    5 o  163.732   10.185  340.009   41.438  299.158   65.515  367.249   53.498  151.154   17.692  169.464   12.735 -18.30913 21.79843 
1 1 1   -4   28    6 o  134.580   11.286  230.911   37.578  119.494   59.313  305.618   48.568   92.978   25.003  154.568   12.695 -61.58955 28.04128 
1 1 1   -4   28    7 o  262.593   15.919  887.636  103.895  821.154  146.075  955.696  147.799  247.941   23.888  268.771   22.220 -20.82936 32.62505 
1 1 1   -4   28    8 o  197.971   10.546  496.456   51.950  486.716   76.988  504.597   70.391  194.216   16.017  198.417   14.302 -4.200623 21.47317 
1 1 1   -4   28    9 o  384.977   13.645  1885.94  131.178  1884.48  187.123  1887.35  183.945  380.476   19.763  381.053   19.395 -0.5764465 27.68988 
1 1 1   -4   28   10 f  131.965   10.293  221.035   33.651  229.571   52.237  214.980   43.997  133.004   16.052  129.286   13.843 3.717819 21.19638 
1 1 1   -4   28   11 o   77.123   12.750   77.345   23.697   58.335   39.205   88.289   29.746   67.015   21.037   81.965   15.089 -14.94962 25.88907 
1 1 1   -4   28   12 o  264.357   11.011  882.691   72.690  835.900  103.483  928.265  102.129  255.026   16.335  269.282   15.250 -14.25621 22.34742 
1 1 1   -4   28   13 o  346.689   17.800  1548.89  153.583  1587.46  220.493  1512.55  214.049  345.220   25.762  337.051   25.623 8.168823 36.33518 
1 1 1   -4   28   14 o  185.764   13.253  439.914   61.075  447.961   91.600  433.474   81.951  185.029   20.150  182.747   18.200 2.281296 27.15280 
1 1 1   -4   28   15 o  204.230   10.124  525.592   51.633  517.905   72.486  533.511   73.568  201.269   14.519  204.295   14.515 -3.025620 20.53040 
1 1 1   -4   28   16 o   79.669   12.078   82.012   23.275   88.070   34.785   77.100   31.318   81.387   17.626   76.196   16.902 5.190620 24.41984 
1 1 1   -4   28   17 o  129.432   10.040  212.242   32.196  231.549   45.661  193.152   45.405  134.398   13.801  122.272   15.198 12.12610 20.52939 
1 1 1   -4   28   18 f  172.433   10.135  375.777   43.451  375.461   60.685  376.111   62.242  171.343   14.314  171.386   14.685 -0.4315186E-01 20.50699 
1 1 1   -4   28   19 o   98.240   10.648  123.042   25.703  129.213   36.139  116.725   36.564   99.746   14.971   94.427   16.083 5.319016 21.97207 
1 1 1   -4   28   20 o  136.739   16.387  241.854   54.840  299.037   69.025  143.971   90.308  151.535   18.633  102.570   31.885 48.96524 36.93007 
1 1 1   -4   28   21 o   79.978   19.823   85.615   39.391   85.021   46.718   87.077   73.269   79.715   22.491   83.509   28.873 -3.793396 36.59915 
1 1 1   -4   28   22 o  174.205   10.490  383.689   45.421  342.835   61.838  431.554   66.934  163.455   15.329  183.725   14.712 -20.27023 21.24685 
1 1 1   -4   28   23 o  219.676   10.375  607.848   56.916  622.033   77.838  591.550   83.435  220.957   14.182  214.984   15.649 5.972977 21.11904 
1 1 1   -4   28   24 o  355.092   14.704  1602.13  130.387  1567.09  159.809  1671.92  225.502  349.037   18.400  355.803   25.550 -6.766113 31.48589 
1 1 1   -4   28   25 o  276.742   11.493  966.562   79.426  1051.46  109.609  872.694  115.256  287.059   15.346  260.455   17.828 26.60400 23.52315 
1 1 1   -4   28   26 o  402.856   13.935  2058.60  140.191  1920.95  195.448  2204.48  201.198  385.248   20.389  413.812   19.470 -28.56415 28.19190 
1 1 1   -4   28   27 o  162.669   9.9908  334.331   40.388  287.274   52.826  400.534   62.658  149.780   14.297  177.075   14.292 -27.29449 20.21532 
1 1 1   -4   28   28 o  183.401   10.239  424.934   46.705  441.972   61.787  402.220   71.339  186.300   13.370  176.820   16.341 9.479523 21.11383 
1 1 1   -4   28   29 o  183.179   10.324  424.075   47.031  429.076   61.930  417.260   72.290  183.451   13.616  180.108   16.248 3.343491 21.19850 
1 1 1   -4   28   30 o  212.157   10.681  569.043   56.408  589.402   75.409  543.179   84.995  214.945   14.128  205.431   16.713 9.514236 21.88424 
1 1 1   -4   28   31 o  131.785   14.219  223.292   46.051  167.737   66.697  273.907   63.662  110.850   24.724  144.965   17.971 -34.11484 30.56519 
1 1 1   -4   28   32 o  169.441   14.044  367.735   58.890  320.279   85.532  410.508   81.201  154.880   22.797  177.475   18.598 -22.59583 29.42096 
1 1 1   -4   28   33 o  193.663   14.539  481.222   69.797  342.386  100.521  610.472   96.989  158.231   26.368  216.736   18.085 -58.50523 31.97422 
1 1 1   -4   28   34 o  240.884   15.294  746.677   91.523  708.135  132.186  782.167  126.844  230.114   23.326  243.386   21.078 -13.27170 31.43852 
1 1 1   -4   28   35 o  147.785   10.906  278.204   39.964  283.552   49.092  267.697   68.812  148.475   13.384  141.732   19.998 6.742844 24.06371 
1 1 1   -4   28   36 f  101.850   11.472  133.437   28.669  131.355   35.925  137.088   47.574  100.083   14.823  100.634   19.636 -0.5511703 24.60236 
1 1 1   -4   28   37 o   73.704   13.896   71.918   24.639   61.943   30.509   90.624   41.778   67.599   17.820   81.103   20.591 -13.50356 27.23161 
1 1 1   -4   28   38 o  213.368   11.461  582.535   60.845  619.053   82.151  538.162   90.557  218.014   15.184  201.392   18.203 16.62125 23.70501 
1 1 1   -4   28   39 o  159.665   14.225  332.474   56.124  426.229  101.242  290.881   67.433  174.745   23.822  146.958   18.807 27.78694 30.35058 
1 1 1   -4   28   40 o   95.004   17.930  123.163   40.978  114.129   83.241  126.053   47.077   88.295   30.761   95.046   20.442 -6.751282 36.93414 
1 1 1   -4   28   41 o  163.148   14.199  348.960   57.273  418.481  108.349  322.003   67.469  169.669   26.434  154.613   17.800 15.05530 31.86778 
1 1 1   -4   28   42 o   38.358   16.794  -3.3750   30.667   56.940   82.827 -12.9573   33.013   72.478   29.382   37.202   16.780 35.27612 33.83604 
1 1 1   -4   28   43 o   57.038   20.772   39.902   38.364   0.0000   0.0000   39.902   38.364  ?   ?    57.038   20.772 0.000000 20.77193 
1 1 1   -4   29    1 f  119.006   12.381  182.951   36.254   73.305   64.386  233.855   43.870   75.480   26.986  134.392   13.244 -58.91201 30.06083 
1 1 1   -4   29    2 o  217.566   11.121  603.459   60.218  560.519   94.885  632.418   77.920  205.860   18.660  221.335   14.172 -15.47560 23.43199 
1 1 1   -4   29    3 o   79.261   13.909   82.760   26.526   83.575   54.934   82.512   30.292   78.365   24.939   78.572   15.983 -0.2071228 29.62069 
1 1 1   -4   29    4 o  131.399   13.925  223.502   44.997  444.655  110.479  179.521   49.268  179.780   25.309  116.393   17.492 63.38721 30.76551 
1 1 1   -4   29    5 o   69.876   14.167   64.671   23.875   48.628   48.134   69.906   27.496   64.417   23.296   72.368   15.669 -7.950607 28.07541 
1 1 1   -4   29    6 o   64.799   14.456   55.814   22.797   32.979   47.111   62.797   26.050   58.718   22.667   68.588   15.566 -9.869144 27.49756 
1 1 1   -4   29    7 o  152.186   9.8924  293.787   37.390  313.009   61.249  282.368   47.208  155.191   16.036  148.382   12.868 6.809372 20.56037 
1 1 1   -4   29    8 o  173.411   11.399  382.731   49.085  310.432   74.234  438.900   65.431  153.084   19.889  184.782   14.291 -31.69823 24.49057 
1 1 1   -4   29    9 o  220.624   15.215  626.390   83.314  587.513  115.808  668.099  119.949  210.034   22.427  224.556   21.659 -14.52196 31.17811 
1 1 1   -4   29   10 o   82.914   13.117   89.472   26.255   60.172   45.742  103.867   32.062   68.676   22.824   88.993   14.958 -20.31763 27.28866 
1 1 1   -4   29   11 o   54.151   14.895   38.661   20.771   12.982   40.836   47.623   24.125   49.844   20.468   59.891   15.874 -10.04745 25.90261 
1 1 1   -4   29   12 o  116.494   10.640  172.821   30.611  170.639   48.377  174.279   39.531  113.882   17.577  116.201   13.899 -2.319008 22.40813 
1 1 1   -4   29   13 o   55.646   14.907   40.901   21.132 -19.4110   37.062   69.955   25.723   38.917   17.646   72.821   14.653 -33.90358 22.93629 
1 1 1   -4   29   14 o  210.031   10.323  556.659   54.145  488.310   77.025  623.428   76.129  194.685   15.984  220.927   13.869 -26.24257 21.16275 
1 1 1   -4   29   15 o  227.333   13.502  658.977   76.306  771.771  113.938  567.241  102.753  243.752   18.865  208.257   20.004 35.49480 27.49680 
1 1 1   -4   29   16 o  129.024   13.194  213.416   41.912  213.936   67.715  213.094   53.362  126.299   22.285  127.804   17.153 -1.504265 28.12181 
1 1 1   -4   29   17 o  186.836   10.182  441.392   47.326  445.481   66.936  437.304   66.922  186.518   14.485  184.744   14.625 1.773590 20.58417 
1 1 1   -4   29   18 o   95.178   11.868  116.289   27.595   71.194   39.450  159.490   38.613   73.045   20.688  111.121   14.243 -38.07602 25.11696 
1 1 1   -4   29   19 o  171.435   9.9721  371.534   42.507  404.447   59.519  337.272   60.726  178.010   13.490  161.979   15.190 16.03172 20.31544 
1 1 1   -4   29   20 o  195.320   10.449  482.393   50.779  488.721   70.548  475.589   73.149  195.460   14.558  192.547   15.340 2.912842 21.14853 
1 1 1   -4   29   21 o  153.768   10.172  299.240   38.839  279.878   53.285  321.186   56.730  147.615   14.648  158.265   14.516 -10.64972 20.62248 
1 1 1   -4   29   22 o   89.342   20.498  107.266   44.760  127.340   52.720   55.429   84.717   97.060   22.229   77.088   30.218 19.97205 37.51342 
1 1 1   -4   29   23 o  226.755   21.151  672.601  118.387  672.601  118.387   0.0000   0.0000  226.755   21.151  ?   ?  0.000000 21.15132 
1 1 1   -4   29   24 o  259.402   11.201  849.537   72.555  769.969   99.401  940.275  106.148  244.930   16.346  271.020   15.752 -26.08995 22.70037 
1 1 1   -4   29   25 o  268.570   11.136  910.543   74.685  918.803  102.387  901.150  109.182  268.059   15.359  264.947   16.586 3.111481 22.60534 
1 1 1   -4   29   26 o  308.619   12.375  1205.54   95.375  1156.83  131.712  1259.23  138.289  299.744   17.675  312.713   17.782 -12.96902 25.07194 
1 1 1   -4   29   27 o   97.247   11.885  121.297   28.261  133.972   36.221  101.574   45.181  101.606   14.703   86.802   21.059 14.80405 25.68351 
1 1 1   -4   29   28 f  202.441   10.537  518.329   53.084  530.262   70.381  502.585   80.846  203.809   13.912  197.497   16.545 6.311829 21.61653 
1 1 1   -4   29   29 o  105.089   11.234  141.083   29.025  133.691   36.763  153.318   47.294  101.376   14.972  107.766   18.224 -6.389595 23.58561 
1 1 1   -4   29   30 o  173.977   10.431  383.358   45.110  398.402   58.892  361.999   70.172  176.552   13.459  167.068   17.059 9.483597 21.72915 
1 1 1   -4   29   31 o  146.210   10.558  271.408   38.289  291.401   49.168  240.601   61.035  150.847   13.185  135.262   18.559 15.58583 22.76582 
1 1 1   -4   29   32 o  117.747   10.957  176.907   31.847  190.128   40.468  155.400   51.615  121.432   13.578  107.657   19.933 13.77465 24.11827 
1 1 1   -4   29   33 f  122.744   13.823  194.743   41.632  248.926   65.729  158.441   53.801  136.745   19.827  108.299   20.647 28.44575 28.62519 
1 1 1   -4   29   34 o  181.372   14.096  423.859   63.341  436.818   92.189  412.272   87.176  180.963   20.777  176.059   20.194 4.903778 28.97357 
1 1 1   -4   29   35 o  170.211   14.412  374.976   60.683  339.429   88.975  405.892   82.976  157.520   23.324  174.756   19.338 -17.23581 30.29829 
1 1 1   -4   29   36 o  126.984   15.277  211.365   47.473  173.730   72.404  239.745   62.874  110.002   26.641  133.515   19.428 -23.51305 32.97215 
1 1 1   -4   29   37 o  151.177   14.858  298.734   55.368  276.624   83.851  315.827   73.726  140.050   24.888  152.958   19.764 -12.90836 31.78068 
1 1 1   -4   29   38 o  156.542   11.501  315.171   44.645  329.132   54.931  288.000   76.631  158.902   13.986  144.252   21.967 14.65002 26.04107 
1 1 1   -4   29   39 o  104.443   11.921  141.795   30.535  146.251   38.419  134.154   50.313  104.891   15.103   97.681   21.232 7.210060 26.05568 
1 1 1   -4   29   40 o   65.090   20.006   58.347   35.669   56.505   72.633   58.932   40.946   70.584   27.881   65.777   21.582 4.807060 35.25784 
1 1 1   -4   29   41 o  144.899   14.918  278.032   53.209  179.709   97.792  319.381   63.417  105.117   33.255  154.301   16.726 -49.18402 37.22459 
1 1 1   -4   29   42 o   66.500   20.126   61.900   36.282  178.998   84.500   35.432   40.173  106.214   30.346   55.758   21.076 50.45637 36.94700 
1 1 1   -4   30    1 o   45.109   14.926   25.586   19.571   39.585   51.854   23.261   21.135   61.220   23.740   44.246   15.495 16.97316 28.34907 
1 1 1   -4   30    2 o   62.489   14.672   52.575   22.504   60.309   55.528   51.055   24.616   69.169   25.020   61.410   15.920 7.758175 29.65589 
1 1 1   -4   30    3 o   65.191   15.144   57.188   24.182  -6.2256   52.822   74.003   27.200   49.777   21.910   74.319   15.169 -24.54273 26.64924 
1 1 1   -4   30    4 o  124.936   12.232  201.275   37.674  176.514   65.890  213.301   45.920  111.995   24.261  127.796   14.654 -15.80031 28.34348 
1 1 1   -4   30    5 o  152.792   15.968  305.504   60.025  202.550  123.686  337.221   68.651  114.503   37.506  159.900   17.478 -45.39678 41.37844 
1 1 1   -4   30    6 o  125.375   11.580  201.617   35.845  184.197   63.132  209.904   43.545  115.639   22.672  127.211   13.936 -11.57211 26.61297 
1 1 1   -4   30    7 o   93.288   12.982  113.130   29.423   55.841   54.594  136.583   34.931   68.391   24.798  102.347   14.037 -33.95659 28.49558 
1 1 1   -4   30    8 o  120.296   11.395  185.321   33.822  168.262   57.532  194.331   41.810  111.150   21.505  122.479   13.917 -11.32925 25.61557 
1 1 1   -4   30    9 o   92.360   12.141  110.248   27.324  129.149   49.462  101.946   32.780   97.355   20.965   87.840   15.511 9.515427 26.07905 
1 1 1   -4   30   10 o  282.060   12.405  1012.15   87.374  897.175  126.289  1117.72  121.010  261.398   19.487  293.862   16.558 -32.46432 25.57151 
1 1 1   -4   30   11 o  331.873   18.258  1433.68  150.732  1370.65  210.804  1499.61  215.613  317.089   26.875  332.441   26.184 -15.35205 37.52196 
1 1 1   -4   30   12 o   78.963   14.094   81.881   26.772   64.935   46.780   90.134   32.647   70.671   23.062   82.327   16.455 -11.65591 28.33080 
1 1 1   -4   30   13 o  172.836   10.885  379.417   46.741  343.305   69.397  409.400   63.234  162.227   17.402  178.487   14.307 -16.25970 22.52859 
1 1 1   -4   30   14 o  236.600   11.226  708.700   66.328  648.480   95.158  765.608   92.504  223.688   17.166  244.064   15.254 -20.37643 22.96454 
1 1 1   -4   30   15 o  105.421   11.208  142.163   29.053  139.418   45.133  144.105   37.965  102.437   18.316  105.220   14.862 -2.783653 23.58752 
1 1 1   -4   30   16 o  176.894   10.038  396.108   44.158  408.952   63.610  384.160   61.350  178.486   14.394  172.977   14.332 5.508545 20.31226 
1 1 1   -4   30   17 o   65.180   16.371   56.605   26.611   57.462   54.161   56.332   30.554   69.515   24.761   65.077   18.128 4.437347 30.68800 
1 1 1   -4   30   18 o  147.449   13.475  278.679   49.068  262.015   77.526  289.816   63.378  139.562   23.049  149.161   17.338 -9.599503 28.84264 
1 1 1   -4   30   19 o  228.837   10.591  661.262   60.524  756.993   85.345  564.408   85.844  243.407   14.101  209.125   16.574 34.28232 21.76108 
1 1 1   -4   30   20 o  204.166   10.950  528.156   55.622  558.597   77.777  496.288   79.576  208.667   15.027  196.119   16.399 12.54794 22.24250 
1 1 1   -4   30   21 o  156.148   16.359  315.609   62.840   0.0000   0.0000  315.609   62.840  ?   ?   156.148   16.359 0.000000 16.35857 
1 1 1   -4   30   22 o   64.938   18.622   55.812   31.764   63.320   33.780  -1.5317   93.356   68.906   19.012   67.703   29.480 1.202438 35.07890 
1 1 1   -4   30   23 o  179.893   10.224  409.487   45.741  441.845   62.251  371.513   67.436  185.997   13.494  169.642   16.112 16.35527 21.01665 
1 1 1   -4   30   24 o  344.320   15.747  1516.41  135.394  1694.43  162.152  1106.51  246.045  362.710   17.902  278.854   36.187 83.85596 40.37299 
1 1 1   -4   30   25 o  172.163   16.794  383.703   71.280  426.356   86.874  295.826  124.695  180.449   19.594  142.845   35.187 37.60339 40.27486 
1 1 1   -4   30   26 o  329.195   15.182  1384.48  124.802  1380.66  210.099  1386.57  155.140  320.545   26.484  326.803   19.093 -6.257874 32.64931 
1 1 1   -4   30   27 o  292.166   11.408  1080.08   83.234  950.770  113.019  1233.34  123.038  271.585   16.746  309.879   15.954 -38.29443 23.12948 
1 1 1   -4   30   28 o  212.592   10.601  571.039   56.281  575.503   74.952  565.268   85.218  211.974   14.242  209.202   16.445 2.771820 21.75491 
1 1 1   -4   30   29 o  127.618   10.703  207.311   33.793  192.675   43.288  230.146   54.070  122.020   14.490  132.801   16.672 -10.78056 22.08850 
1 1 1   -4   30   30 o  129.884   10.686  214.817   34.351  211.894   43.863  219.455   55.242  128.128   13.934  129.219   17.576 -1.091476 22.42861 
1 1 1   -4   30   31 o  193.436   10.491  474.899   50.485  490.819   66.267  452.877   77.939  195.575   13.654  186.483   16.921 9.091553 21.74276 
1 1 1   -4   30   32 o  120.937   10.746  186.801   32.116  169.352   40.239  217.424   53.307  114.063   14.451  128.526   17.028 -14.46298 22.33357 
1 1 1   -4   30   33 o  184.833   10.515  434.616   48.334  437.773   62.837  430.040   75.639  184.307   13.752  181.238   16.908 3.069138 21.79435 
1 1 1   -4   30   34 o  160.126   10.695  327.151   42.521  348.263   54.832  295.302   67.346  164.218   13.490  148.956   18.504 15.26180 22.89918 
1 1 1   -4   30   35 o  152.275   10.491  296.152   39.650  314.482   50.765  267.474   63.496  155.960   13.158  141.436   18.414 14.52356 22.63193 
1 1 1   -4   30   36 o   79.742   17.729   86.841   34.389  108.150   55.458   73.530   43.833   86.989   24.491   72.889   22.135 14.09993 33.01157 
1 1 1   -4   30   37 o   91.178   17.727  113.352   38.909  109.468   61.153  115.994   50.433   86.791   26.097   90.351   22.452 -3.560455 34.42605 
1 1 1   -4   30   38 o   44.976   18.283   13.863   32.169   13.077   54.477   14.284   39.861   54.432   23.086   48.728   20.139 5.704674 30.63564 
1 1 1   -4   30   39 o   33.848   15.539 -18.4201   29.928 -52.5469   54.949  -4.0269   35.685   41.834   19.802   41.136   18.060 0.6978951 26.80101 
1 1 1   -4   30   40 o  132.951   15.798  236.414   51.423  288.617   82.744  203.564   65.638  141.185   24.349  119.073   22.906 22.11224 33.42987 
1 1 1   -4   30   41 o  144.852   15.920  281.190   56.635  304.568   91.560  266.703   72.079  142.725   26.670  137.161   21.771 5.564377 34.42790 
1 1 1   -4   30   42 o   77.260   22.211   86.935   45.135   0.0000   0.0000   86.935   45.135  ?   ?    77.260   22.211 0.000000 22.21080 
1 1 1   -4   31    1 o  146.712   12.092  280.526   43.906  250.858   77.961  294.306   53.134  130.422   24.845  148.980   14.465 -18.55814 28.74856 
1 1 1   -4   31    2 o   77.799   21.858   86.759   44.223   46.729   64.961  121.335   60.373   65.962   26.268   90.267   25.602 -24.30533 36.68096 
1 1 1   -4   31    3 o  148.627   11.361  284.914   41.846  253.384   72.611  300.594   51.204  134.156   22.469  151.623   13.671 -17.46771 26.30073 
1 1 1   -4   31    4 o   42.081   15.084   20.155   20.130 -21.6330   51.105   27.829   21.900   45.453   20.652   47.135   15.795 -1.681366 26.00000 
1 1 1   -4   31    5 o   52.263   15.209   36.349   21.048   49.639   52.533   33.807   22.973   64.924   24.191   50.978   16.117 13.94690 29.06815 
1 1 1   -4   31    6 o   71.813   14.603   68.944   25.296   96.215   53.267   61.003   28.744   82.576   24.242   66.981   17.120 15.59516 29.67788 
1 1 1   -4   31    7 o  108.652   15.852  156.165   41.745  140.918  110.059  158.727   45.116   98.437   35.273  109.063   17.130 -10.62664 39.21228 
1 1 1   -4   31    8 o  200.616   11.772  514.874   58.715  468.262   90.454  548.816   77.187  187.347   19.626  205.560   15.144 -18.21227 24.78897 
1 1 1   -4   31    9 o   70.024   14.901   65.449   25.256   48.064   51.597   70.927   28.963   64.816   24.009   72.608   16.365 -7.791351 29.05615 
1 1 1   -4   31   10 o  215.718   11.513  593.475   61.796  558.009   92.435  622.136   83.095  205.978   18.156  219.158   15.279 -13.18011 23.72979 
1 1 1   -4   31   11 o   91.557   13.347  109.264   29.618   77.175   51.784  124.865   36.107   75.763   24.224   97.385   15.356 -21.62133 28.68128 
1 1 1   -4   31   12 o  161.223   11.507  331.783   46.024  268.865   70.670  378.120   60.648  141.626   20.585  171.177   14.319 -29.55112 25.07551 
1 1 1   -4   31   13 o  262.631   16.392  893.855  106.969  807.149  146.153  993.883  156.981  244.287   24.280  272.037   23.334 -27.74976 33.67503 
1 1 1   -4   31   14 o   63.844   15.184   54.370   23.855   9.8186   45.008   71.774   28.131   50.692   21.212   73.359   15.821 -22.66721 26.46214 
1 1 1   -4   31   15 o  177.876   11.057  402.388   48.871  343.320   71.805  453.363   66.705  161.756   18.086  187.715   14.338 -25.95966 23.08013 
1 1 1   -4   31   16 o   70.332   14.795   65.614   25.161   73.954   43.525   61.427   30.836   74.108   21.957   67.652   17.955 6.455643 28.36319 
1 1 1   -4   31   17 o   50.182   15.449   32.401   21.260   27.714   38.931   34.392   25.378   53.940   20.661   52.284   16.983 1.656536 26.74512 
1 1 1   -4   31   18 o   66.350   14.899   58.494   24.081   21.723   40.251   78.991   30.052   52.367   20.733   77.044   16.137 -24.67692 26.27297 
1 1 1   -4   31   19 o  205.853   13.625  542.432   69.646  614.804  106.663  488.644   91.954  216.267   19.976  192.935   19.346 23.33241 27.80868 
1 1 1   -4   31   20 o  201.026   19.086  529.279   94.661   0.0000   0.0000  529.279   94.661  ?   ?   201.026   19.086 0.000000 19.08568 
1 1 1   -4   31   21 o  145.846   13.753  273.430   49.497  290.142   54.783  199.157  115.491  149.934   14.826  116.715   36.020 33.21850 38.95229 
1 1 1   -4   31   22 o  261.187   12.228  865.961   79.752  966.460  111.104  759.136  114.548  273.736   16.328  241.010   19.192 32.72542 25.19771 
1 1 1   -4   31   23 o  119.906   11.215  183.553   33.192  175.885   45.941  191.927   48.007  115.945   16.319  121.220   16.270 -5.275864 23.04354 
1 1 1   -4   31   24 o  127.896   11.250  208.673   35.564  137.303   48.115  294.623   52.802  101.107   19.765  151.302   14.139 -50.19512 24.30174 
1 1 1   -4   31   25 o  256.598   11.333  834.178   72.617  825.967   99.286  843.624  106.484  253.170   15.783  255.352   16.793 -2.181259 23.04576 
1 1 1   -4   31   26 o  280.322   12.152  998.086   85.069  1057.61  116.659  930.483  124.318  286.156   16.394  266.971   18.767 19.18414 24.91881 
1 1 1   -4   31   27 o  206.113   16.899  551.914   86.216  594.875  106.838  471.703  145.985  212.187   20.415  180.578   33.611 31.60976 39.32482 
1 1 1   -4   31   28 o   54.749   17.700   38.103   27.589   24.267   40.014   50.641   38.091   53.031   20.773   62.999   20.823 -9.968388 29.41266 
1 1 1   -4   31   29 o   74.078   14.085   72.468   25.103   26.993   31.959  145.715   40.560   50.748   18.876  105.224   15.935 -54.47605 24.70267 
1 1 1   -4   31   30 o  216.266   10.742  593.332   58.013  587.705   76.658  600.874   88.748  213.429   14.469  214.692   16.685 -1.263092 22.08433 
1 1 1   -4   31   31 o   83.626   13.099   91.491   26.456   78.267   32.698  116.561   45.020   76.045   17.572   92.323   20.097 -16.27857 26.69591 
1 1 1   -4   31   32 o  106.651   11.468  146.502   30.063  158.919   37.966  125.629   49.224  110.302   14.107   95.351   21.220 14.95051 25.48081 
1 1 1   -4   31   33 o  226.918   10.763  655.417   60.990  651.182   80.129  661.250   94.035  224.095   14.395  224.264   16.916 -0.1692657 22.21165 
1 1 1   -4   31   34 o  177.068   10.373  400.342   45.666  379.439   58.421  433.175   73.218  170.915   13.806  181.316   16.346 -10.40155 21.39652 
1 1 1   -4   31   35 o  173.463   10.831  385.637   46.683  442.004   60.389  301.935   73.590  184.636   13.184  148.599   20.367 36.03705 24.26213 
1 1 1   -4   31   36 o  106.388   11.553  146.803   30.199  151.353   37.315  138.165   51.411  107.011   14.323   98.993   21.419 8.018021 25.76681 
1 1 1   -4   31   37 o  124.739   10.919  200.828   33.669  188.954   42.059  222.015   56.182  119.560   14.375  127.777   18.115 -8.217018 23.12533 
1 1 1   -4   31   38 o   73.942   18.697   76.562   34.543   93.225   56.387   66.552   43.705   79.853   25.251   68.989   22.275 10.86400 33.67165 
1 1 1   -4   31   39 o   57.405   19.744   43.050   34.239   38.579   55.960   45.725   43.287   61.169   24.374   60.376   22.053 0.7934036 32.86959 
1 1 1   -4   31   40 o  148.750   15.461  295.858   56.592  279.256   86.859  308.104   74.599  136.360   26.462  148.113   20.738 -11.75331 33.62009 
1 1 1   -4   31   41 o  252.008   23.990  921.548  149.148   0.0000   0.0000  921.548  149.148  ?   ?   252.008   23.990 0.000000 23.98981 
1 1 1   -4   32    1 o   56.320   15.872   44.323   23.279   61.391   56.911   40.893   25.511   66.475   25.095   54.325   16.957 12.14952 30.28681 
1 1 1   -4   32    2 o  149.608   11.613  292.567   43.045  289.034   79.344  294.041   51.241  139.654   23.592  148.522   13.980 -8.868210 27.42334 
1 1 1   -4   32    3 o   60.243   22.184   46.261   43.931   21.324   59.375   76.423   65.302   57.071   24.148   73.396   27.044 -16.32499 36.25560 
1 1 1   -4   32    4 o   60.602   16.307   50.669   25.220   78.073   62.950   45.429   27.526   74.314   26.671   57.623   17.550 16.69143 31.92734 
1 1 1   -4   32    5 o  113.588   12.233  168.475   34.152  159.949   63.721  171.911   40.452  104.100   24.856  113.740   14.578 -9.640823 28.81514 
1 1 1   -4   32    6 o   70.855   15.054   67.995   25.815  -3.6905   56.671   86.763   28.998   51.370   22.650   80.276   15.017 -28.90557 27.17586 
1 1 1   -4   32    7 o   45.085   15.309   25.082   20.575   27.344   52.897   24.678   22.333   57.789   23.462   45.450   15.928 12.33814 28.35793 
1 1 1   -4   32    8 o  135.218   12.722  237.174   42.451  129.382   71.013  297.115   52.955   93.593   28.118  150.794   14.231 -57.20052 31.51452 
1 1 1   -4   32    9 o  138.503   15.622  252.702   53.087  221.854  118.438  260.457   59.387  117.607   36.507  139.794   17.388 -22.18637 40.43635 
1 1 1   -4   32   10 o   32.786   13.333   6.0000   17.115   7.2797   48.260   5.8159   18.305   50.942   21.672   33.587   13.738 17.35501 25.65929 
1 1 1   -4   32   11 o   79.668   14.826   84.450   28.410   34.664   53.159  104.355   33.613   60.683   23.890   88.460   15.796 -27.77696 28.63971 
1 1 1   -4   32   12 o   43.517   15.137   22.296   20.153   23.895   47.269   21.941   22.280   55.426   22.292   44.186   15.866 11.24022 27.36187 
1 1 1   -4   32   13 o  195.873   11.407  489.994   55.556  389.773   81.987  575.080   75.543  170.901   19.563  210.875   14.432 -39.97401 24.31085 
1 1 1   -4   32   14 o  215.858   16.706  608.644   89.350  634.169  120.327  577.269  133.402  216.529   22.586  203.310   26.939 13.21901 35.15431 
1 1 1   -4   32   15 o  145.690   17.702  280.272   63.080  247.806   80.428  332.163  101.682  133.364   25.070  153.372   27.562 -20.00810 37.25846 
1 1 1   -4   32   16 o  151.728   10.656  293.337   40.119  319.611   61.939  274.346   52.658  156.475   16.080  145.390   14.706 11.08531 21.79085 
1 1 1   -4   32   17 o  112.279   11.225  161.606   31.050  214.635   50.788  129.957   39.237  127.917   16.268   99.041   16.441 28.87543 23.12877 
1 1 1   -4   32   18 o  138.792   11.167  246.025   38.377  266.034   57.461  229.913   51.563  142.572   16.441  132.628   15.885 9.944305 22.86083 
1 1 1   -4   32   19 o   66.331   16.994   59.153   28.276  -2.4676   72.024   70.381   30.744   59.124   25.815   72.284   17.269 -13.16055 31.05824 
1 1 1   -4   32   20 o   91.867   12.891  109.618   28.758   94.693   44.595  120.243   37.627   83.087   21.372   95.251   16.411 -12.16457 26.94603 
1 1 1   -4   32   21 o  220.041   13.948  622.206   76.246  708.263  115.910  556.566  101.230  231.290   20.273  204.996   20.031 26.29385 28.49963 
1 1 1   -4   32   22 o  132.539   13.349  226.546   43.581  293.433   73.239  189.879   54.225  148.196   20.326  119.335   18.820 28.86110 27.70087 
1 1 1   -4   32   23 o  226.680   11.061  651.942   62.615  730.161   86.940  567.646   90.254  238.037   14.698  208.401   17.505 29.63669 22.85711 
1 1 1   -4   32   24 o  125.883   10.925  202.449   34.004  211.629   47.658  192.929   48.531  127.391   15.286  121.143   16.469 6.248222 22.47031 
1 1 1   -4   32   25 o  148.428   10.692  280.744   39.364  281.284   53.581  280.111   58.021  147.245   14.771  146.410   16.138 0.8353271 21.87706 
1 1 1   -4   32   26 o  179.504   10.623  410.058   47.405  431.282   63.946  384.162   70.634  182.810   14.117  171.354   16.720 11.45601 21.88276 
1 1 1   -4   32   27 o   60.235   15.774   48.640   24.007   0.3958   33.229  101.321   34.724   41.539   17.835   87.059   16.577 -45.51982 24.34919 
1 1 1   -4   32   28 o  109.209   11.627  153.561   31.221  138.890   41.034  173.729   48.111  102.192   16.653  114.244   17.415 -12.05161 24.09574 
1 1 1   -4   32   29 o   84.868   20.807   99.606   43.757  100.596   47.119   93.395  117.967   84.985   22.023   88.948   35.406 -3.962791 41.69636 
1 1 1   -4   32   30 o  145.470   17.219  280.467   61.337  272.075   68.128  316.377  140.932  141.995   19.748  139.601   38.950 2.394302 43.67014 
1 1 1   -4   32   31 o  144.948   10.408  268.612   37.423  256.485   48.003  287.404   59.756  140.355   13.878  147.442   16.513 -7.086777 21.57017 
1 1 1   -4   32   32 f  223.051   10.918  635.000   60.815  615.963   80.167  660.805   93.339  217.234   14.868  223.688   16.833 -6.454361 22.45884 
1 1 1   -4   32   33 o  126.665   10.766  206.295   33.731  201.418   42.429  214.671   55.603  123.951   13.950  126.014   18.197 -2.063110 22.92891 
1 1 1   -4   32   34 o   67.145   14.570   60.875   23.727   56.422   28.876   70.131   41.633   64.083   17.535   70.846   21.585 -6.762985 27.81002 
1 1 1   -4   32   35 o   62.249   14.856   52.675   22.772   54.241   27.497   49.257   40.631   62.800   17.081   61.554   21.489 1.246243 27.45077 
1 1 1   -4   32   36 o  181.525   10.486  423.486   47.329  431.170   60.640  411.508   75.707  181.512   13.475  174.523   17.612 6.988220 22.17558 
1 1 1   -4   32   37 o  116.353   11.136  175.706   31.961  168.170   39.471  190.056   54.469  112.411   14.392  116.903   19.334 -4.492188 24.10247 
1 1 1   -4   32   38 o   81.533   12.918   88.433   25.426   84.049   30.599   98.211   45.698   78.174   16.207   82.187   21.879 -4.013206 27.22742 
1 1 1   -4   32   39 o   90.415   12.148  107.795   26.734  120.510   32.004   78.443   48.627   94.940   13.912   73.408   23.474 21.53150 27.28710 
1 1 1   -4   32   40 o   91.129   18.000  116.234   39.509  111.840   64.048  118.932   50.198   84.984   26.916   89.769   22.451 -4.785301 35.04975 
1 1 1   -4   32   41 f  151.952   21.266  331.011   78.484   0.0000   0.0000  331.011   78.484  ?   ?   151.952   21.266 0.000000 21.26610 
1 1 1   -4   33    1 o   26.555   12.131  -9.4644   17.937 -62.6773  194.591  -9.0084   18.014   67.773   33.286   26.769   12.201 41.00436 35.45192 
1 1 1   -4   33    2 o   78.893   15.444   87.414   29.337   62.047   66.763   93.485   32.659   66.378   26.565   80.931   16.714 -14.55257 31.38513 
1 1 1   -4   33    3 o   50.701   16.325   35.210   23.487   34.930   59.068   35.263   25.597   58.800   24.426   51.011   17.077 7.788914 29.80324 
1 1 1   -4   33    4 o  130.410   12.596  225.412   40.508  210.902   75.028  231.382   48.125  115.365   26.589  130.584   15.032 -15.21874 30.54410 
1 1 1   -4   33    5 f   70.266   23.255   72.388   47.504   59.749   63.521   88.428   71.557   67.550   26.252   76.586   28.293 -9.036163 38.59642 
1 1 1   -4   33    6 f   38.193   14.754   13.830   19.968 -42.3910   52.323   23.414   21.603   41.584   19.573   44.051   15.644 -2.466393 25.05689 
1 1 1   -4   33    7 o   65.229   15.884   58.745   25.632   41.914   57.001   63.011   28.696   62.085   24.644   67.242   17.062 -5.157253 29.97358 
1 1 1   -4   33    8 o   65.356   15.791   58.692   25.484   91.297   56.819   50.481   28.512   78.869   25.391   60.512   17.728 18.35710 30.96740 
1 1 1   -4   33    9 o   70.185   14.942   66.847   25.385   75.987   55.088   64.383   28.603   73.549   25.050   68.316   16.867 5.232941 30.19928 
1 1 1   -4   33   10 o   58.614   16.409   46.794   24.968  -9.8825   53.805   62.349   28.187   48.845   21.773   67.357   16.811 -18.51197 27.50744 
1 1 1   -4   33   11 o   39.137   15.005   14.407   20.544  102.325  104.958   10.905   20.949   86.715   33.733   37.649   14.941 49.06599 36.89394 
1 1 1   -4   33   12 o  210.096   13.058  571.507   68.168  433.682  101.482  684.828   92.020  175.879   23.710  227.859   16.279 -51.98021 28.76087 
1 1 1   -4   33   13 o  215.634   11.379  596.197   61.054  576.017   91.552  612.360   81.934  208.071   17.791  216.311   15.266 -8.239792 23.44298 
1 1 1   -4   33   14 o  203.234   11.428  529.423   57.761  559.977   86.972  505.312   77.261  205.827   17.075  196.181   15.908 9.645325 23.33702 
1 1 1   -4   33   15 o  118.934   11.392  182.151   33.420  167.394   56.656  190.025   41.387  109.947   21.405  120.592   14.004 -10.64472 25.57936 
1 1 1   -4   33   16 o  109.602   21.770  166.561   57.483  187.435   70.856  126.370   98.316  114.553   25.433   93.725   33.364 20.82779 41.95208 
1 1 1   -4   33   17 o   71.552   23.546   68.787   48.725  103.578   58.476 -10.2270   88.125   85.480   25.479   62.635   27.896 22.84450 37.78037 
1 1 1   -4   33   18 o  122.529   14.455  196.225   43.379  138.913   95.995  210.931   48.627   97.317   33.067  126.596   15.720 -29.27902 36.61386 
1 1 1   -4   33   19 o  187.332   10.563  447.397   49.211  535.556   72.478  371.991   67.031  203.288   14.370  168.430   16.134 34.85774 21.60579 
1 1 1   -4   33   20 o  159.010   10.877  323.093   42.933  374.973   62.468  276.650   59.104  169.726   14.889  144.852   16.642 24.87450 22.33011 
1 1 1   -4   33   21 o   71.214   14.392   67.578   24.713   83.484   41.821   59.044   30.633   77.706   21.037   65.967   18.065 11.73865 27.72881 
1 1 1   -4   33   22 o  134.910   10.892  233.000   36.381  235.501   53.530  230.853   49.596  133.617   16.387  132.749   15.237 0.8674011 22.37613 
1 1 1   -4   33   23 o  123.716   14.099  199.546   42.780  209.618   75.105  194.709   52.049  121.483   25.566  120.722   17.799 0.7617950 31.15217 
1 1 1   -4   33   24 o   63.675   17.362   54.899   28.366   32.190   59.328   61.629   32.297   61.921   24.950   67.269   18.602 -5.348873 31.12089 
1 1 1   -4   33   25 o  134.925   10.816  233.168   36.136  254.083   50.724  211.613   51.494  139.412   14.796  126.303   16.739 13.10954 22.34093 
1 1 1   -4   33   26 o   76.763   13.891   78.133   25.648   86.011   37.383   71.128   35.253   79.056   19.140   71.933   19.247 7.122620 27.14437 
1 1 1   -4   33   27 f  121.817   11.313  191.005   34.020  221.171   46.283  155.551   50.175  129.968   14.508  106.674   19.556 23.29401 24.35014 
1 1 1   -4   33   28 f   87.916   12.640  101.176   26.953  117.352   37.347   83.593   38.938   93.397   16.622   77.580   19.978 15.81726 25.98902 
1 1 1   -4   33   29 o  160.688   10.530  330.571   42.020  356.368   55.909  297.079   63.703  165.505   13.649  149.127   17.435 16.37811 22.14252 
1 1 1   -4   33   30 o   84.882   13.411   95.209   27.482   58.908   35.870  146.803   42.762   65.587   20.047  104.333   16.998 -38.74657 26.28327 
1 1 1   -4   33   31 o  100.605   19.464  140.098   47.130  128.983   50.414  217.175  132.761   95.418   21.654  112.650   38.871 -17.23282 44.49537 
1 1 1   -4   33   32 o  104.625   18.329  150.190   46.142  126.804   48.674  357.565  144.945   94.626   21.132  143.198   39.329 -48.57281 44.64721 
1 1 1   -4   33   33 o  122.830   10.955  195.071   33.249  202.599   42.259  182.838   53.870  123.941   13.893  114.821   19.484 9.119781 23.92992 
1 1 1   -4   33   34 o  110.591   11.440  159.132   31.135  172.840   38.987  134.995   51.734  114.222   13.959   96.838   21.906 17.38363 25.97514 
1 1 1   -4   33   35 o   74.089   13.683   73.806   24.384   54.888   29.760  112.444   42.532   62.792   18.031   89.124   19.640 -26.33181 26.66137 
1 1 1   -4   33   36 o   55.061   15.749   41.507   22.747   47.954   27.435   27.328   40.687   58.906   17.428   52.725   20.854 6.181744 27.17778 
1 1 1   -4   33   37 o   62.417   15.275   53.704   23.615   71.467   28.420   14.092   42.441   71.808   16.231   49.092   20.574 22.71603 26.20538 
1 1 1   -4   33   38 o   65.421   14.508   58.631   23.080   49.484   27.446   80.720   42.651   59.597   17.374   74.328   21.656 -14.73057 27.76405 
1 1 1   -4   33   39 o   53.458   19.030   36.559   31.987   26.358   50.801   43.260   41.173   55.344   22.790   58.261   21.473 -2.917244 31.31263 
1 1 1   -4   33   40 o  111.846   21.178  181.952   56.985   0.0000   0.0000  181.952   56.985  ?   ?   111.846   21.178 0.000000 21.17813 
1 1 1   -4   34    1 o   76.426   14.961   84.202   27.531   80.298   62.152   85.155   30.708   67.342   26.025   75.658   16.701 -8.315559 30.92241 
1 1 1   -4   34    2 o   44.144   16.167   25.067   23.286   28.901   67.594   24.551   24.804   56.432   24.814   44.309   16.600 12.12305 29.85462 
1 1 1   -4   34    3 o   31.114   13.457   0.7973   19.191   55.226  189.171   0.2313   19.291   72.912   35.110   30.965   13.442 41.94672 37.59515 
1 1 1   -4   34    4 o   96.212   14.305  127.995   33.323   64.329   66.354  149.467   38.534   66.041   26.464  103.331   15.404 -37.29065 30.62105 
1 1 1   -4   34    5 o   35.517   14.295   9.9620   19.452 -60.5433   57.240   19.167   20.683   40.241   19.361   40.797   15.183 -0.5561790 24.60457 
1 1 1   -4   34    6 o   49.771   15.980   33.877   22.518   18.328   56.013   36.874   24.592   53.808   23.130   51.725   16.710 2.083290 28.53458 
1 1 1   -4   34    7 o   52.714   21.617   25.260   45.468   1.5409   60.537   55.957   68.868   52.074   23.161   66.478   26.847 -14.40350 35.45744 
1 1 1   -4   34    8 o   87.394   14.043  103.452   29.609   95.571   60.293  105.957   33.990   78.423   26.209   87.419   16.166 -8.995651 30.79349 
1 1 1   -4   34    9 o   90.512   14.364  110.781   31.382   10.262   59.775  149.027   36.872   54.314   23.620  105.213   14.413 -50.89921 27.66970 
1 1 1   -4   34   10 o   79.864   15.474   87.401   29.746   43.539   58.122  102.966   34.625   62.459   24.855   86.293   16.671 -23.83352 29.92871 
1 1 1   -4   34   11 o   64.045   16.139   56.787   25.802   4.1737   55.071   71.585   29.206   51.767   22.589   71.824   16.614 -20.05730 28.04072 
1 1 1   -4   34   12 o   77.837   14.645   81.970   27.422  122.132   57.595   70.198   31.183   90.409   24.776   70.901   17.674 19.50811 30.43382 
1 1 1   -4   34   13 o   88.629   15.470  106.238   32.994  405.051  114.589   79.226   34.453  162.846   29.253   75.214   18.477 87.63218 34.59991 
1 1 1   -4   34   14 o  120.379   12.417  189.166   36.791  199.884   62.415  183.459   45.545  118.772   21.849  116.891   16.025 1.881065 27.09571 
1 1 1   -4   34   15 o   37.829   14.483   13.564   19.122   48.271   48.148   7.0643   20.835   62.725   23.201   35.744   14.643 26.98167 27.43530 
1 1 1   -4   34   16 o   32.341   13.463   3.9421   17.998   30.415   47.721  -0.4477   19.433   56.756   22.542   31.590   13.602 25.16600 26.32786 
1 1 1   -4   34   17 o  156.133   11.877  315.102   45.960  241.794   70.477  369.345   60.624  131.130   22.322  167.684   14.624 -36.55302 26.68610 
1 1 1   -4   34   18 o  180.332   17.827  436.103   79.226  452.447  100.422  409.160  128.933  179.879   22.874  162.093   32.975 17.78568 40.13181 
1 1 1   -4   34   19 o   97.071   26.191  138.852   64.955  138.852   64.955   0.0000   0.0000   97.071   26.191  ?   ?  0.000000 26.19106 
1 1 1   -4   34   20 o  144.257   11.089  267.740   39.641  255.316   60.165  277.271   52.696  137.668   17.926  145.215   14.736 -7.547775 23.20518 
1 1 1   -4   34   21 o  139.568   11.126  250.736   38.454  287.741   58.457  222.507   51.057  147.237   16.165  129.291   16.167 17.94589 22.86234 
1 1 1   -4   34   22 o  101.198   12.078  133.310   29.920  189.891   47.963   97.267   38.282  119.122   16.573   83.880   18.747 35.24177 25.02243 
1 1 1   -4   34   23 o  147.330   10.718  278.692   39.163  332.737   56.644  229.200   54.205  159.365   14.389  130.813   16.995 28.55244 22.26797 
1 1 1   -4   34   24 o   89.838   12.700  105.928   27.697  123.905   43.020   93.202   36.196   94.845   18.828   82.258   18.111 12.58666 26.12479 
1 1 1   -4   34   25 o  100.297   15.109  134.041   36.669  142.919   69.451  130.610   43.178   97.813   27.361   97.580   18.394 0.2337265 32.96926 
1 1 1   -4   34   26 o   73.629   16.696   74.244   29.991  105.824   61.929   64.569   34.279   84.974   26.402   68.196   19.274 16.77784 32.68881 
1 1 1   -4   34   27 o  114.335   11.457  169.426   32.272  168.012   45.540  170.852   45.739  111.564   16.873  112.559   16.786 -0.9954529 23.80070 
1 1 1   -4   34   28 o   40.524   15.148   17.143   20.632   15.757   32.198   18.108   26.874   45.582   18.375   44.002   17.083 1.580227 25.08918 
1 1 1   -4   34   29 o   98.314   11.979  126.368   28.802  140.954   39.885  110.474   41.635  102.149   16.175   88.818   19.322 13.33118 25.19820 
1 1 1   -4   34   30 o  110.536   11.538  159.019   31.378  154.232   42.179  164.952   46.956  106.741   16.344  109.735   17.741 -2.994614 24.12199 
1 1 1   -4   34   31 o   91.555   12.550  110.582   27.938  112.842   37.404  107.730   42.016   90.530   17.174   87.211   19.751 3.319077 26.17363 
1 1 1   -4   34   32 o  104.983   11.617  144.035   29.945  152.272   39.215  132.513   46.378  106.374   15.195   96.736   19.864 9.638199 25.00903 
1 1 1   -4   34   33 o   34.503   15.401  -7.6817   27.020 -10.6110   27.465   80.526  150.710   33.974   15.316   84.177   37.032 -50.20268 40.07455 
1 1 1   -4   34   34 o   32.210   14.624 -12.0367   25.569 -20.9264   25.961  275.260  147.586   30.221   14.082  117.244   40.954 -87.02280 43.30698 
1 1 1   -4   34   35 o   55.663   15.734   42.731   22.842   34.730   28.327   57.603   38.620   51.830   17.951   63.972   20.958 -12.14209 27.59507 
1 1 1   -4   34   36 o   78.236   13.653   82.640   25.704   92.190   31.923   65.032   43.347   81.580   16.241   67.301   22.211 14.27869 27.51543 
1 1 1   -4   34   37 o   65.071   15.160   58.636   24.176   49.792   29.343   77.332   42.662   59.582   18.114   72.467   21.799 -12.88543 28.34298 
1 1 1   -4   34   38 o  131.318   10.918  224.921   35.477  221.263   44.013  231.705   59.944  128.552   13.934  127.784   19.394 0.7677994 23.88073 
1 1 1   -4   34   39 f   53.802   21.246   31.465   42.165   0.0000   0.0000   31.465   42.165  ?   ?    53.802   21.246 0.000000 21.24584 
1 1 1   -4   35    1 o   30.319   13.283   0.3184   19.214   23.335   62.166  -2.1126   20.203   51.480   23.141   30.121   13.390 21.35870 26.73557 
1 1 1   -4   35    2 o   41.487   15.463   22.208   21.469 -38.9497   62.489   30.393   22.861   42.629   20.437   46.151   16.118 -3.521912 26.02806 
1 1 1   -4   35    3 o   37.824   15.017   14.645   21.172 -15.0807   62.539   18.493   22.501   46.374   21.690   40.189   15.623 6.184929 26.73121 
1 1 1   -4   35    4 o   29.344   13.023  -3.0070   19.036 -12.0887  199.696  -2.9238   19.123   65.864   32.605   29.439   13.059 36.42511 35.12346 
1 1 1   -4   35    5 o   43.260   15.643   24.202   21.701   61.648   58.772   18.291   23.351   62.937   25.010   40.839   15.904 22.09833 29.63890 
1 1 1   -4   35    6 o   28.608   12.599  -2.2655   17.485 -21.8429   56.842  -0.2194   18.376   44.816   20.867   30.096   13.092 14.72039 24.63415 
1 1 1   -4   35    7 o   50.355   15.822   35.707   22.171   80.844   59.071   28.306   23.920   70.294   25.748   46.412   16.464 23.88184 30.56191 
1 1 1   -4   35    8 o  104.139   13.556  147.764   34.418  101.528   67.905  163.748   39.927   77.210   27.702  108.636   15.129 -31.42552 31.56382 
1 1 1   -4   35    9 o   53.866   21.957   30.082   46.562   50.370   59.060  -3.2353   75.687   62.392   24.980   55.094   25.071 7.298252 35.39127 
1 1 1   -4   35   10 o   83.856   14.560   96.762   29.382   65.396   58.823  107.190   33.916   67.268   25.485   87.498   16.116 -20.23068 30.15301 
1 1 1   -4   35   11 o   77.169   14.620   81.988   27.142  121.480   57.709   70.772   30.755   87.673   25.088   70.304   17.568 17.36857 30.62769 
1 1 1   -4   35   12 o   33.257   13.604   6.7091   17.951   41.867   53.391   2.2281   19.061   60.042   23.845   32.050   13.627 27.99223 27.46388 
1 1 1   -4   35   13 o   27.322   11.972  -2.4772   15.616  -0.5872   50.008  -2.6815   16.438   48.093   21.237   27.967   12.269 20.12615 24.52591 
1 1 1   -4   35   14 o   44.617   15.134   25.350   20.107   85.223   53.743   15.605   21.682   75.389   24.725   39.909   15.386 35.47963 29.12093 
1 1 1   -4   35   15 o   28.292   12.445  -3.2748   17.018  -6.2441  109.149  -3.2009   17.228   65.480   29.917   28.503   12.531 36.97635 32.43528 
1 1 1   -4   35   16 o   73.957   14.843   74.675   26.460   75.733   54.499   74.348   30.266   72.359   24.908   72.994   16.932 -0.6345825 30.11861 
1 1 1   -4   35   17 o   64.032   15.559   56.557   24.634  108.009   53.188   42.506   27.795   85.029   24.001   55.932   17.733 29.09707 29.84108 
1 1 1   -4   35   18 o  111.214   13.301  163.615   36.206  178.852   57.937  153.853   46.377  111.662   21.559  105.279   18.305 6.382431 28.28148 
1 1 1   -4   35   19 o   86.228   13.647   99.337   28.407   96.663   51.421  100.512   34.079   80.882   23.839   85.519   16.556 -4.636467 29.02450 
1 1 1   -4   35   20 o  162.175   18.377  360.149   73.110  345.361   89.077  390.671  127.975  154.349   23.882  153.605   34.238 0.7435760 41.74404 
1 1 1   -4   35   21 o   57.466   16.469   45.313   24.851   29.210   54.376   49.564   27.939   57.949   23.687   59.926   17.547 -1.976170 29.47846 
1 1 1   -4   35   22 o   42.792   15.102   21.885   20.101   47.553   43.158   14.774   22.715   60.948   22.056   40.264   15.685 20.68434 27.06467 
1 1 1   -4   35   23 o   67.361   15.210   62.110   24.979   52.248   44.376   66.684   30.222   62.972   22.415   69.146   17.490 -6.173462 28.43156 
1 1 1   -4   35   24 o   44.503   15.213   24.693   20.320   27.723   38.616   23.532   23.896   52.282   20.427   45.106   16.399 7.175022 26.19499 
1 1 1   -4   35   25 o   80.425   13.386   86.441   25.939  106.614   42.325   74.306   32.826   86.543   19.988   72.750   18.133 13.79292 26.98746 
1 1 1   -4   35   26 o   74.431   14.164   74.896   25.364   61.785   40.678   83.237   32.443   66.327   21.497   77.345   17.238 -11.01810 27.55508 
1 1 1   -4   35   27 o   87.992   15.976  105.876   33.811  118.266   69.496  102.034   38.700   87.219   28.081   85.074   18.724 2.145020 33.75118 
1 1 1   -4   35   28 o   77.091   16.786   82.573   31.398   87.259   65.380   81.168   35.796   76.882   27.225   75.552   18.994 1.329788 33.19560 
1 1 1   -4   35   29 o   68.563   14.922   64.495   24.824   55.863   37.557   71.192   33.079   63.231   20.665   70.842   18.499 -7.611176 27.73544 
1 1 1   -4   35   30 o   32.711   13.736   3.6342   18.981   31.911   30.788 -13.7017   24.107   51.128   18.610   30.648   14.024 20.48017 23.30267 
1 1 1   -4   35   31 o  150.745   10.649  294.661   39.827  331.899   53.668  249.015   59.418  158.144   13.726  133.848   18.253 24.29654 22.83788 
1 1 1   -4   35   32 o  140.096   10.941  255.427   37.973  271.550   50.418  234.292   57.725  142.439   14.371  129.565   18.355 12.87392 23.31117 
1 1 1   -4   35   33 o   93.013   12.283  114.788   27.832  141.033   37.163   81.267   42.000  101.847   15.067   74.212   21.452 27.63503 26.21462 
1 1 1   -4   35   34 o   35.079   14.362   7.5704   20.032   44.472   26.423 -42.3064   30.719   56.514   17.191   29.221   14.090 27.29371 22.22754 
1 1 1   -4   35   35 o   56.182   19.629   42.357   33.905   38.804   34.656  121.688  163.750   54.758   19.773   86.881   38.394 -32.12257 43.18605 
1 1 1   -4   35   36 o  150.783   18.373  319.153   67.752  332.016   72.802  235.970  185.135  152.767   19.531  100.674   42.621 52.09238 46.88243 
1 1 1   -4   35   37 o   85.359   13.627   98.773   28.071  112.467   35.388   75.537   46.099   89.727   16.398   70.841   22.877 18.88593 28.14725 
1 1 1   -4   35   38 o   79.705   22.509   97.332   46.770   0.0000   0.0000   97.332   46.770  ?   ?    79.705   22.509 0.000000 22.50889 
1 1 1   -4   36    1 o   46.875   20.634   23.817   46.851   45.904   66.090   1.5043   66.427   53.847   24.057   46.764   22.024 7.083809 32.61609 
1 1 1   -4   36    2 o   36.960   17.574 -25.6485   44.239   64.276   64.023 -107.8180   61.200   58.614   24.949   34.456   17.218 24.15765 30.31324 
1 1 1   -4   36    3 o   36.076   14.694   12.344   20.831 -18.9598   65.792   15.831   21.961   45.215   21.479   38.133   15.245 7.082706 26.33932 
1 1 1   -4   36    4 o   40.780   15.487   21.043   21.757   29.804   62.332   19.827   23.217   52.859   23.507   40.644   15.850 12.21516 28.35142 
1 1 1   -4   36    5 o   61.675   16.934   58.464   26.876   20.386   66.070   66.015   29.420   52.418   23.682   65.090   17.654 -12.67221 29.53806 
1 1 1   -4   36    6 o   56.062   18.075   48.256   28.786  181.451  207.879   45.652   29.066   74.468   36.090   54.704   18.194 19.76434 40.41658 
1 1 1   -4   36    7 o   33.848   14.021   7.7228   19.384   38.236   59.927   4.1574   20.485   56.184   24.031   33.025   14.086 23.15907 27.85536 
1 1 1   -4   36    8 o   35.517   14.357   10.688   19.714 -76.3357   56.495   22.753   21.036   37.107   18.165   42.218   15.380 -5.111324 23.80157 
1 1 1   -4   36    9 o   66.445   16.176   64.567   26.589   60.209   59.556   65.652   29.715   62.941   25.125   66.201   17.652 -3.259563 30.70542 
1 1 1   -4   36   10 o   63.883   17.070   60.135   27.750   16.048   59.537   72.371   31.366   52.759   23.241   69.666   17.926 -16.90615 29.35089 
1 1 1   -4   36   11 o   59.436   23.146   48.765   49.457   28.858   61.169   86.347   84.046   56.364   24.198   72.113   29.460 -15.74867 38.12397 
1 1 1   -4   36   12 o   58.851   16.438   49.878   25.086   28.829   56.358   55.079   28.015   55.598   23.525   61.453   17.444 -5.855740 29.28669 
1 1 1   -4   36   13 o  103.217   12.937  143.833   32.613  168.587   63.394  134.924   38.032  102.202   25.037   97.996   16.101 4.206345 29.76690 
1 1 1   -4   36   14 o   87.926   14.141  106.017   29.997   97.920   59.280  108.804   34.778   77.617   25.987   87.766   16.473 -10.14934 30.76855 
1 1 1   -4   36   15 o   80.405   15.152   89.837   29.307   57.862   57.924  100.839   33.977   64.802   25.101   84.441   16.705 -19.63845 30.15187 
1 1 1   -4   36   16 o   34.520   14.126   7.5976   19.367   0.0000   0.0000   7.5976   19.367  ?   ?    34.520   14.126 0.000000 14.12649 
1 1 1   -4   36   17 o   33.969   14.073   6.0508   19.533   90.724  114.765   3.5247   19.823   78.562   33.421   33.082   13.973 45.47918 36.22388 
1 1 1   -4   36   18 o   28.932   12.545  -0.8698   16.767   14.425   48.114  -2.9840   17.888   50.685   21.602   29.022   12.763 21.66287 25.09119 
1 1 1   -4   36   19 o  105.727   13.284  149.627   34.298  157.388   58.552  145.574   42.318  101.758   23.514  102.048   17.219 -0.2902756 29.14478 
1 1 1   -4   36   20 o   39.680   14.682   17.574   19.285   2.6746   47.682   20.488   21.087   47.745   20.921   42.043   15.386 5.702099 25.97004 
1 1 1   -4   36   21 o  106.968   12.601  151.922   33.015  189.662   55.778  131.568   40.961  114.816   20.191   96.812   17.591 18.00405 26.77921 
1 1 1   -4   36   22 o  132.243   20.689  251.754   66.084  258.860   77.909  233.531  124.769  130.501   24.814  109.006   37.679 21.49503 45.11557 
1 1 1   -4   36   23 o  157.417   11.316  323.548   44.188  425.524   68.088  249.346   58.080  177.351   15.530  133.855   17.818 43.49586 23.63653 
1 1 1   -4   36   24 o   94.281   13.372  119.231   30.601  130.165   49.769  112.584   38.803   93.775   21.685   89.174   18.045 4.601601 28.21095 
1 1 1   -4   36   25 o   55.404   15.771   42.627   22.867   63.087   42.004   34.009   27.261   66.092   21.867   50.999   17.613 15.09256 28.07832 
1 1 1   -4   36   26 o   64.436   15.594   57.946   24.821   60.515   42.259   56.592   30.668   64.984   21.941   63.014   18.365 1.970234 28.61201 
1 1 1   -4   36   27 o   66.287   15.413   61.206   25.030   67.897   41.454   57.367   31.399   68.069   21.664   63.347   18.617 4.721325 28.56416 
1 1 1   -4   36   28 o   28.905   12.649  -2.2490   17.381   34.919   35.071 -14.3500   20.011   53.180   19.775   27.101   12.537 26.07859 23.41422 
1 1 1   -4   36   29 o   53.067   17.242   38.499   26.160   35.856   67.865   38.961   28.351   61.680   25.941   53.600   17.972 8.079857 31.55834 
1 1 1   -4   36   30 o   31.411   13.809  -2.9835   20.926 -19.7392   63.224  -0.9220   22.176   49.247   22.600   33.052   14.380 16.19553 26.78706 
1 1 1   -4   36   31 o  135.730   11.193  241.425   37.599  271.205   52.073  208.989   54.345  141.369   14.979  121.465   18.501 19.90383 23.80431 
1 1 1   -4   36   32 o   65.827   15.265   60.555   24.606   51.485   36.065   68.454   33.656   60.307   20.269   68.589   18.998 -8.281910 27.78069 
1 1 1   -4   36   33 o  144.399   10.804  272.500   38.677  291.403   51.847  248.781   58.077  146.949   14.311  132.934   17.955 14.01485 22.95990 
1 1 1   -4   36   34 o   45.878   15.595   27.483   21.350   46.607   30.022   7.9148   30.369   57.446   18.453   40.951   17.295 16.49432 25.29078 
1 1 1   -4   36   35 o   97.343   12.491  126.843   29.664  133.474   39.345  118.108   45.156   97.425   16.778   88.982   20.710 8.442421 26.65309 
1 1 1   -4   36   36 o  108.700   15.588  163.589   41.100  162.109   42.047  195.366  194.846  107.858   16.104   91.209   40.988 16.64875 44.03774 
1 1 1   -4   36   37 o   91.887   41.092  211.931  193.321   0.0000   0.0000  211.931  193.321  ?   ?    91.887   41.092 0.000000 41.09174 
1 1 1   -4   36   38 o   87.870   21.398  118.344   46.515   0.0000   0.0000  118.344   46.515  ?   ?    87.870   21.398 0.000000 21.39775 
1 1 1   -4   37    1 f   41.299   19.233   4.3907   48.321   29.578   66.870 -23.1322   69.903   48.126   22.483   42.200   20.560 5.925526 30.46628 
1 1 1   -4   37    2 o   38.225   18.220 -18.3807   48.152 -38.2496   68.250   1.3122   67.947   41.161   20.111   45.492   21.672 -4.330666 29.56557 
1 1 1   -4   37    3 o   52.198   22.713   45.198   55.343   7.9189   71.340  101.541   87.703   47.773   22.598   61.980   27.700 -14.20678 35.74891 
1 1 1   -4   37    4 o   48.340   17.000   36.482   25.450   51.960   68.197   33.978   27.432   55.256   24.580   47.169   17.499 8.086643 30.17261 
1 1 1   -4   37    5 o   66.777   17.674   71.891   29.933   79.096   72.045   70.388   32.907   61.746   26.378   64.784   19.064 -3.038063 32.54630 
1 1 1   -4   37    6 o   36.094   14.798   11.895   21.303   6.5142   66.875   12.502   22.473   49.024   22.762   36.885   15.170 12.13826 27.35391 
1 1 1   -4   37    7 o   48.718   16.916   35.344   25.162   34.913   68.450   35.411   27.056   54.646   24.444   48.862   17.491 5.784088 30.05701 
1 1 1   -4   37    8 o   58.707   18.354   54.459   29.875   86.463  210.850   53.803   30.180   67.046   33.246   58.317   18.477 8.728680 38.03543 
1 1 1   -4   37    9 o   77.033   15.677   87.536   29.132  144.604   65.128   73.262   32.573   86.043   27.130   68.158   18.613 17.88440 32.90102 
1 1 1   -4   37   10 o   56.751   16.722   48.478   25.304   37.488   62.590   50.625   27.666   56.093   24.281   57.600   17.605 -1.507126 29.99205 
1 1 1   -4   37   11 o   68.705   16.802   70.617   28.588   32.794   63.089   80.391   32.070   55.672   24.238   72.716   17.804 -17.04496 30.07413 
1 1 1   -4   37   12 o   41.339   19.139 -16.5811   46.784 -20.9342   55.280  -5.5925   87.829   43.874   20.479   54.878   25.679 -11.00370 32.84510 
1 1 1   -4   37   13 o   50.581   21.927   18.749   51.187   12.278   61.382   33.525   92.750   51.966   23.203   61.572   27.916 -9.606155 36.30017 
1 1 1   -4   37   14 o   49.014   16.123   33.753   22.847  -5.8684   57.210   41.271   24.921   47.621   21.719   53.400   16.774 -5.779263 27.44265 
1 1 1   -4   37   15 o   49.849   16.268   34.932   23.277  -3.5177   61.057   41.471   25.178   49.528   22.531   53.651   16.862 -4.123272 28.14141 
1 1 1   -4   37   16 o   35.482   14.500   9.1239   20.367   14.570   52.696   8.1675   22.083   50.787   22.131   36.067   14.955 14.72022 26.70970 
1 1 1   -4   37   17 o   51.603   15.823   37.636   22.327   45.910   54.067   35.935   24.515   59.460   23.867   50.736   16.702 8.724010 29.13030 
1 1 1   -4   37   18 o   55.765   17.304   44.657   26.611   47.746  124.207   44.509   27.243   69.908   31.930   55.681   17.546 14.22686 36.43324 
1 1 1   -4   37   19 o   51.561   16.912   37.026   25.146   35.607  117.482   37.094   25.743   68.014   31.061   51.658   17.120 16.35635 35.46638 
1 1 1   -4   37   20 o   63.255   15.716   56.970   24.716   90.824   52.268   47.220   28.050   75.263   24.366   57.310   17.762 17.95288 30.15282 
1 1 1   -4   37   21 o   32.807   13.516   6.3402   17.880 -13.5765   47.409   9.6428   19.305   43.345   19.770   35.290   14.227 8.055565 24.35736 
1 1 1   -4   37   22 o   44.327   15.265   25.505   20.471   37.597   47.796   22.789   22.654   56.426   22.513   43.480   15.942 12.94601 27.58591 
1 1 1   -4   37   23 o   45.301   15.716   26.612   21.717 -16.9095   46.770   38.574   24.520   42.486   19.476   52.551   16.655 -10.06445 25.62586 
1 1 1   -4   37   24 o   79.559   24.371  101.045   52.981   85.050   58.148  179.240  128.571   73.161   25.698   92.031   36.853 -18.86996 44.92765 
1 1 1   -4   37   25 o   83.932   13.867   96.462   28.050  168.641   50.019   63.350   33.879  107.620   19.322   65.535   19.360 42.08536 27.35230 
1 1 1   -4   37   26 o   50.602   15.765   35.483   22.063   14.230   42.832   43.159   25.741   48.122   20.443   55.232   16.999 -7.109818 26.58715 
1 1 1   -4   37   27 o  124.492   11.966  205.867   36.742  264.146   56.278  162.575   48.505  137.437   16.744  105.833   19.054 31.60369 25.36571 
1 1 1   -4   37   28 o  160.645   11.597  340.651   46.209  391.345   66.019  291.964   64.699  168.380   15.889  142.860   18.575 25.52022 24.44374 
1 1 1   -4   37   29 o   69.574   14.743   67.593   24.819   87.796   41.105   56.002   31.134   76.099   20.962   62.005   18.616 14.09384 28.03512 
1 1 1   -4   37   30 o   64.329   15.380   58.450   24.373   74.873   40.425   49.071   30.550   70.268   21.239   58.437   18.598 11.83136 28.23035 
1 1 1   -4   37   31 o   85.957   16.453  104.589   34.031  171.958   78.321   88.910   37.784   98.804   29.495   77.315   19.556 21.48882 35.38933 
1 1 1   -4   37   32 o   52.875   15.955   39.309   22.828   61.771   38.432   27.064   28.377   64.368   20.898   47.363   17.753 17.00547 27.42117 
1 1 1   -4   37   33 o   35.824   14.396   10.319   19.696   13.880   32.387   8.2301   24.811   43.630   18.102   37.851   15.786 5.778320 24.01857 
1 1 1   -4   37   34 o  122.177   11.675  198.478   35.187  178.547   48.238  221.144   51.441  111.446   17.942  125.089   16.901 -13.64226 24.64859 
1 1 1   -4   37   35 o   44.396   15.560   25.531   21.313   21.906   31.069   28.754   29.292   45.885   18.200   48.171   18.041 -2.286194 25.62634 
1 1 1   -4   37   36 f  148.318   13.664  299.318   50.040  434.658   90.891  240.452   59.943  168.602   22.122  127.754   19.399 40.84779 29.42274 
1 1 1   -4   37   37 o   36.207   15.981  -1.7329   28.287   0.0000   0.0000  -1.7329   28.287  ?   ?    36.207   15.981 0.000000 15.98100 
1 1 1   -4   38    2 o   44.201   20.566   24.170   55.058   11.289   76.604   37.934   79.186   44.693   21.717   47.600   22.869 -2.907047 31.53739 
1 1 1   -4   38    3 o   68.029   26.603  132.185   65.538  145.688   86.442  113.929  100.510   63.692   28.033   56.960   26.907 6.732418 38.85620 
1 1 1   -4   38    4 f   44.348   20.817   10.113   58.495 -48.9580   76.147   95.156   91.366   41.178   20.339   57.387   26.631 -16.20929 33.50936 
1 1 1   -4   38    5 o   54.065   23.603   57.759   60.192   83.343   77.763   19.519   95.071   58.205   26.043   50.616   24.500 7.588985 35.75608 
1 1 1   -4   38    6 o   56.291   17.432   52.704   27.023   99.840   70.973   44.712   29.225   63.657   26.636   51.709   18.213 11.94792 32.26816 
1 1 1   -4   38    7 o   60.406   17.989   60.641   29.159 -32.2645   73.953   77.744   31.730   44.325   21.492   68.412   18.240 -24.08683 28.18866 
1 1 1   -4   38    8 o   28.243   12.747  -4.6101   19.085 -39.1421   67.425  -1.6024   19.899   42.596   20.622   29.817   13.270 12.77830 24.52207 
1 1 1   -4   38    9 o   44.164   16.402   27.360   24.112   15.199   67.966   29.111   25.789   50.353   23.226   45.287   16.934 5.065956 28.74424 
1 1 1   -4   38   10 o   67.470   19.139   74.688   33.735   88.989  220.877   74.346   34.135   65.023   32.524   67.153   19.319 -2.129982 37.82911 
1 1 1   -4   38   11 o   66.867   16.922   68.991   28.280   51.178   65.580   73.060   31.344   57.846   24.947   67.899   18.141 -10.05367 30.84548 
1 1 1   -4   38   12 o   28.869   12.651  -0.4953   17.436   20.719   60.591  -2.4106   18.206   51.422   23.000   28.722   12.742 22.70028 26.29341 
1 1 1   -4   38   13 o   35.246   14.338   10.670   19.803 -18.2999   59.149   14.327   21.015   44.712   20.971   37.543   14.944 7.169373 25.75043 
1 1 1   -4   38   14 o   36.465   17.750 -61.0880   51.769 -16.9778   60.581 -180.4926   99.673   45.623   21.342   42.407   21.301 3.216232 30.15346 
1 1 1   -4   38   15 o   50.011   22.462   10.698   58.431   10.698   58.431   0.0000   0.0000   50.011   22.462  ?   ?  0.000000 22.46167 
1 1 1   -4   38   16 o   50.283   16.134   36.606   22.955   94.242   57.977   25.892   24.998   72.465   25.640   44.823   16.690 27.64133 30.59323 
1 1 1   -4   38   17 o   82.147   15.910   97.882   31.458   66.514   62.431  108.556   36.419   64.212   25.692   85.268   17.684 -21.05596 31.18948 
1 1 1   -4   38   18 o   51.186   16.137   37.781   23.041   66.634   55.677   31.818   25.310   64.334   24.693   48.076   16.948 16.25793 29.94964 
1 1 1   -4   38   19 o   33.910   13.767   8.9005   18.214 -13.0246   51.685   12.009   19.463   44.193   20.337   36.132   14.382 8.061279 24.90846 
1 1 1   -4   38   20 o  124.328   17.021  223.069   51.457  203.512  141.252  226.061   55.254   88.097   37.258  123.793   18.436 -35.69513 41.57032 
1 1 1   -4   38   21 o   33.389   13.782   7.0847   18.635   33.131   55.459   3.7695   19.786   55.557   23.413   32.705   13.894 22.85194 27.22508 
1 1 1   -4   38   22 o   44.495   15.402   26.327   20.851   92.853   51.092   13.032   22.840   74.802   24.077   38.465   15.487 36.33691 28.62760 
1 1 1   -4   38   23 o   74.396   15.031   78.486   26.963   76.916   52.766   79.041   31.368   68.820   24.448   73.269   17.403 -4.448959 30.00950 
1 1 1   -4   38   24 o   90.775   13.114  112.795   28.865  157.877   54.465   95.187   34.039  100.147   22.346   80.655   17.410 19.49208 28.32785 
1 1 1   -4   38   25 o   66.189   15.791   63.024   25.735   55.043   48.729   66.111   30.307   61.314   23.204   66.794   17.834 -5.479675 29.26553 
1 1 1   -4   38   26 o   64.630   23.640   64.232   49.770   47.151   53.304  180.371  138.992   59.466   23.759   87.327   36.947 -27.86144 43.92696 
1 1 1   -4   38   27 o   92.667   14.079  118.730   31.555  118.809   52.458  118.685   39.501   85.432   23.737   89.855   18.228 -4.422249 29.92849 
1 1 1   -4   38   28 o   90.697   14.252  114.057   31.214  101.498   51.685  121.268   39.162   78.654   24.067   91.143   17.845 -12.48925 29.96142 
1 1 1   -4   38   29 o   50.795   16.090   36.372   22.886   33.505   43.130   37.496   27.001   53.317   21.347   51.754   17.538 1.562954 27.62689 
1 1 1   -4   38   30 o   40.063   15.138   18.177   20.720  -0.8500   39.063   25.626   24.442   41.994   18.645   45.160   16.559 -3.165627 24.93703 
1 1 1   -4   38   31 o   26.594   12.076  -7.9567   17.442  -0.3469   35.736 -10.3363   19.984   40.533   17.923   27.946   12.781 12.58715 22.01298 
1 1 1   -4   38   32 o  140.482   11.258  262.397   39.163  310.962   56.661  217.976   54.190  149.172   15.434  122.134   18.334 27.03726 23.96531 
1 1 1   -4   38   33 o   48.071   17.102   30.997   25.828   84.260   83.256   25.325   27.168   70.895   29.183   45.687   17.317 25.20809 33.93390 
1 1 1   -4   38   34 f   87.872   13.860  107.240   29.405  119.633   43.094   96.442   40.225   88.384   19.993   78.862   20.304 9.521431 28.49518 
1 1 1   -4   38   35 o   59.100   15.917   50.884   24.017   34.609   36.453   63.367   31.925   51.659   19.940   64.589   18.712 -12.93068 27.34508 
1 1 1   -4   38   36 o   24.147   11.562 -24.1464   19.860   0.0000   0.0000 -24.1464   19.860  ?   ?    24.147   11.562 0.000000 11.56173 
1 1 1   -4   39    4 o   37.373   18.408 -31.9875   60.909  -8.8490   75.935 -73.7344  101.996   41.764   20.567   40.627   20.548 1.136818 29.07274 
1 1 1   -4   39    5 o   44.811   21.187   22.881   62.577  -3.6489   79.308   66.646  101.861   43.641   21.397   50.603   24.690 -6.962273 32.67094 
1 1 1   -4   39    6 o   33.685   16.757 -69.9609   55.303 -94.8471   68.762 -24.3794   93.060   35.469   17.799   44.549   22.090 -9.079655 28.36865 
1 1 1   -4   39    7 o   42.779   20.321  -0.5000   58.880 -24.3723   72.461   45.897  101.018   42.557   20.777   51.777   25.108 -9.219490 32.59013 
1 1 1   -4   39    8 o   28.269   12.861  -4.8105   19.901   20.121   67.160  -7.2104   20.837   47.723   22.371   28.168   12.944 19.55433 25.84584 
1 1 1   -4   39    9 o   55.394   17.715   51.755   27.694   62.913   71.684   49.797   30.025   55.728   24.965   53.856   18.491 1.872288 31.06690 
1 1 1   -4   39   10 o   77.766   17.117   97.004   32.339   82.411   73.990  100.450   35.955   60.334   26.258   77.277   18.809 -16.94289 32.29986 
1 1 1   -4   39   11 f   19.440   9.4836 -24.2408   15.013   67.436   73.223 -28.2638   15.339   58.488   25.769   18.928   9.3062 39.56055 27.39789 
1 1 1   -4   39   12 o   61.693   18.642   63.196   31.147  421.329  233.549   56.711   31.428   76.130   37.197   58.321   18.895 17.80890 41.72097 
1 1 1   -4   39   13 o   46.415   16.631   31.670   24.467   3.1052   69.334   35.733   26.149   48.866   22.850   48.597   17.217 0.2689743 28.61033 
1 1 1   -4   39   14 o   35.464   14.664   10.416   21.148   40.630   62.508   6.5104   22.473   54.685   23.958   34.577   14.751 20.10750 28.13521 
1 1 1   -4   39   15 o   71.665   16.725   78.720   29.384   86.279   67.671   76.963   32.620   65.922   26.616   69.369   18.494 -3.447105 32.41058 
1 1 1   -4   39   16 o   45.204   20.725  -1.3172   52.993 -21.9705   59.338   80.058  117.784   43.818   20.691   65.130   30.229 -21.31232 36.63202 
1 1 1   -4   39   17 o   63.370   16.986   61.571   27.427   48.114   63.923   64.607   30.364   57.787   24.771   64.157   18.143 -6.369675 30.70454 
1 1 1   -4   39   18 o   42.269   15.465   23.447   21.301   14.299   57.209   24.919   22.951   49.827   22.313   43.449   16.029 6.377857 27.47365 
1 1 1   -4   39   19 o   53.211   16.553   42.247   24.335   42.491   58.061   42.195   26.803   56.442   23.880   53.056   17.463 3.386074 29.58422 
1 1 1   -4   39   20 o   71.084   16.219   75.006   28.155   70.663   59.701   76.248   31.928   64.285   25.314   70.373   18.074 -6.087349 31.10424 
1 1 1   -4   39   21 o   45.692   15.940   28.843   22.356   21.352   55.369   30.302   24.437   51.484   22.552   46.818   16.637 4.666016 28.02505 
1 1 1   -4   39   22 o   80.442   17.555   97.257   34.274  248.930  143.931   88.139   35.290   90.525   37.910   75.527   18.788 14.99746 42.31043 
1 1 1   -4   39   23 o   57.763   16.595   49.631   25.203   93.566   59.790   40.138   27.793   72.087   25.980   52.394   17.793 19.69211 31.48911 
1 1 1   -4   39   24 o   30.889   13.242   2.3172   18.269   38.913   49.933  -3.3387   19.630   55.142   22.638   29.728   13.207 25.41417 26.20876 
1 1 1   -4   39   25 o   67.124   16.175   66.306   26.793   69.095   51.855   65.290   31.294   64.819   24.057   65.323   18.400 -0.5041122 30.28695 
1 1 1   -4   39   26 o   42.980   15.434   24.064   21.083   71.869   47.715   12.468   23.501   66.051   23.272   38.279   15.601 27.77246 28.01742 
1 1 1   -4   39   27 o  101.521   13.563  143.015   33.526  162.020   57.127  133.030   41.406   98.903   23.481   94.229   18.256 4.673805 29.74281 
1 1 1   -4   39   28 f   44.935   20.043   2.9138   45.673  -0.1411   47.632   37.778  160.912   44.983   20.235   67.930   32.627 -22.94720 38.39215 
1 1 1   -4   39   29 o   62.089   15.883   56.538   24.725   89.735   47.030   43.857   29.067   73.246   23.049   54.482   18.198 18.76308 29.36664 
1 1 1   -4   39   30 o   46.196   15.760   29.521   21.807   6.8860   43.370   37.180   25.227   44.967   19.821   50.815   16.953 -5.848640 26.08187 
1 1 1   -4   39   31 o   47.678   15.791   32.108   21.903   41.511   42.698   28.750   25.515   54.777   21.458   46.436   16.936 8.340767 27.33603 
1 1 1   -4   39   32 o   43.419   15.680   24.687   21.794   3.5667   40.663   33.199   25.815   43.009   19.063   48.672   17.121 -5.662411 25.62267 
1 1 1   -4   39   33 o   29.698   12.980  -0.5080   18.248   2.8749   36.688  -1.6200   21.035   41.110   18.170   31.282   13.795 9.827629 22.81346 
1 1 1   -4   39   34 o   26.964   12.223  -6.9538   17.768 -39.5614   34.993   4.3738   20.625   31.410   15.119   33.203   14.147 -1.793253 20.70573 
1 1 1   -4   39   35 o   76.886   19.767   93.895   38.163   0.0000   0.0000   93.895   38.163  ?   ?    76.886   19.767 0.000000 19.76719 
1 1 1   -4   40    8 f   57.600   25.110  102.139   67.905   78.193   82.520  152.366  119.510   51.949   24.491   55.984   27.185 -4.035152 36.59008 
1 1 1   -4   40    9 o   44.085   20.805   15.473   59.827   27.637   71.872 -11.9730  107.961   46.878   22.321   46.261   23.078 0.6169930 32.10607 
1 1 1   -4   40   10 o   39.224   15.966   20.405   24.573   10.066   72.997   21.726   26.096   45.818   21.998   40.095   16.402 5.723305 27.43959 
1 1 1   -4   40   11 o   46.910   17.137   36.240   26.141   64.020   77.497   32.673   27.769   54.001   24.870   45.264   17.423 8.736591 30.36556 
1 1 1   -4   40   12 o   38.778   15.804   18.178   24.114 -48.7446   73.933   26.145   25.509   41.440   20.386   42.521   16.605 -1.080532 26.29276 
1 1 1   -4   40   13 o   75.952   20.057  102.501   38.604  296.969  264.121   98.256   39.023   62.774   31.888   73.685   20.473 -10.91138 37.89490 
1 1 1   -4   40   14 o   34.580   14.549   9.5590   21.357   68.570   69.918   3.4866   22.429   57.699   25.307   32.844   14.371 24.85491 29.10296 
1 1 1   -4   40   15 o   59.188   17.746   57.754   28.307   9.3820   68.729   67.636   31.064   48.377   22.663   63.464   18.479 -15.08652 29.24160 
1 1 1   -4   40   16 o   28.654   12.662  -0.7677   17.807   19.400   61.153  -2.6361   18.614   49.106   22.419   28.551   12.761 20.55418 25.79652 
1 1 1   -4   40   17 o   27.935   12.463  -2.6432   17.670 -24.9208   61.609  -0.6462   18.445   42.918   20.499   29.224   12.902 13.69428 24.22086 
1 1 1   -4   40   18 o   38.895   18.738 -39.6925   54.032 -18.8701   59.764 -132.8729  126.427   43.481   20.602   48.038   24.111 -4.556877 31.71369 
1 1 1   -4   40   19 o   31.235   13.471   3.0523   19.125 -104.5757   58.209   16.076   20.249   34.005   16.961   37.626   14.766 -3.621387 22.48773 
1 1 1   -4   40   20 o   48.346   16.200   34.873   23.037   50.524   59.607   32.124   24.977   56.757   24.114   46.970   16.806 9.787121 29.39269 
1 1 1   -4   40   21 o   27.685   12.321  -2.7878   17.154   58.499   57.473  -8.7814   17.973   58.937   24.252   26.297   12.061 32.64008 27.08560 
1 1 1   -4   40   22 o   45.687   16.054   29.802   22.696   37.609   58.424   28.414   24.631   54.193   23.459   45.252   16.619 8.940578 28.74877 
1 1 1   -4   40   23 o   70.270   15.958   74.139   27.364  138.378   60.777   57.806   30.645   84.625   26.132   60.285   18.546 24.33960 32.04490 
1 1 1   -4   40   24 o   68.154   18.384   73.421   32.008   94.559  157.752   72.514   32.688   67.380   32.347   67.449   18.737 -0.6890869E-01 37.38184 
1 1 1   -4   40   25 o   65.246   17.205   65.580   28.434   40.457   57.920   73.557   32.637   55.251   23.629   68.091   18.646 -12.83974 30.10007 
1 1 1   -4   40   26 o   45.839   15.957   29.768   22.396   43.886   51.436   26.465   24.878   55.360   22.878   44.563   16.639 10.79623 28.28889 
1 1 1   -4   40   27 o   62.907   17.190   60.870   27.771   19.484   53.416   76.202   32.511   49.780   21.967   69.600   18.419 -19.82073 28.66675 
1 1 1   -4   40   28 o   60.129   16.560   54.951   25.655   42.521   51.184   59.122   29.649   55.015   22.786   61.460   18.098 -6.445091 29.09894 
1 1 1   -4   40   29 o   93.528   14.213  124.993   32.150  144.592   55.668  115.184   39.381   90.097   24.220   85.672   18.913 4.425186 30.73000 
1 1 1   -4   40   30 o   47.724   20.863   17.623   47.170   13.356   48.595   87.181  196.199   47.125   20.866   67.786   33.319 -20.66136 39.31351 
1 1 1   -4   40   31 o   54.232   16.228   44.377   23.688   66.309   46.495   36.689   27.528   62.195   22.834   49.905   17.666 12.29006 28.87045 
1 1 1   -4   40   32 f  109.273   13.727  169.196   36.632  149.422   57.807  182.465   47.354   90.413   24.839  109.186   17.994 -18.77297 30.67229 
1 1 1   -4   41   12 o   40.433   16.282   24.683   25.249   11.670   74.613   26.366   26.832   44.581   21.609   41.308   16.731 3.272980 27.32956 
1 1 1   -4   41   13 o   31.472   13.809   4.5952   20.836 -25.9958   70.205   7.5502   21.820   41.009   20.111   33.002   14.311 8.006958 24.68335 
1 1 1   -4   41   14 o   38.820   15.561   20.400   22.948   91.747   68.859   11.487   24.339   58.114   25.311   35.677   15.289 22.43697 29.57033 
1 1 1   -4   41   15 o   30.527   13.640   0.1719   21.256  115.677  272.524  -0.5351   21.321   55.021   28.275   30.333   13.600 24.68764 31.37529 
1 1 1   -4   41   16 o   51.881   17.536   45.904   26.996   45.954   73.417   45.896   29.030   51.761   23.968   51.499   18.151 0.2612038 30.06528 
1 1 1   -4   41   17 o   33.852   14.291   9.2354   20.722 -33.4972   65.906   13.924   21.829   41.236   20.062   36.277   14.939 4.958763 25.01282 
1 1 1   -4   41   18 o   43.939   16.142   29.106   23.241 -24.8652   67.878   36.274   24.736   42.955   20.770   47.680   16.760 -4.725330 26.68863 
1 1 1   -4   41   19 o   38.229   15.237   17.642   21.874   27.783   62.545   16.229   23.349   49.586   22.652   38.099   15.542 11.48661 27.47104 
1 1 1   -4   41   20 o   40.590   19.463 -25.9049   56.742 -37.1211   61.969   32.294  141.159   40.701   19.720   56.117   27.713 -15.41656 34.01265 
1 1 1   -4   41   21 o   44.287   16.390   28.705   24.036 -54.0789   61.105   43.859   26.144   38.821   18.980   52.152   17.251 -13.33094 25.64855 
1 1 1   -4   41   22 o   23.380   10.911 -11.2007   15.680   15.115   58.166 -13.2628   16.282   47.598   21.782   23.305   10.953 24.29343 24.38104 
1 1 1   -4   41   23 o   47.066   16.160   33.684   22.932   40.920   59.739   32.434   24.834   53.013   23.319   46.463   16.744 6.549568 28.70759 
1 1 1   -4   41   24 o   19.799   9.5511 -19.2047   14.150   21.579   55.670 -22.0216   14.630   48.700   21.894   19.599   9.5160 29.10045 23.87294 
1 1 1   -4   41   25 o   46.620   16.241   32.598   23.204   46.005   58.667   30.111   25.264   54.397   23.527   45.502   16.811 8.895363 28.91619 
1 1 1   -4   41   26 o   77.887   18.964   99.724   36.539  115.165  171.256   98.987   37.400   64.116   31.437   77.067   19.437 -12.95026 36.96028 
1 1 1   -4   41   27 o   73.438   16.642   83.890   29.815   62.528   58.738   91.304   34.604   58.556   24.344   74.811   18.602 -16.25436 30.63740 
1 1 1   -4   41   28 o   33.058   13.905   7.2479   19.501  -3.9633   49.466   9.3109   21.219   42.627   19.716   34.834   14.569 7.792824 24.51468 
1 1 1   -3  -39    1 o   39.284   18.187   16.085   42.248 -50.8650   98.623   31.132   46.755   40.148   20.294   42.678   19.530 -2.529499 28.16460 
1 1 1   -3  -38    1 o   72.394   23.298  116.533   47.841  180.686   96.970   95.895   55.000   66.097   29.360   61.570   24.280 4.527020 38.09925 
1 1 1   -3  -38    2 o   58.998   22.397   82.810   45.490  132.833  100.231   69.833   51.051   56.321   26.684   53.516   22.503 2.805599 34.90597 
1 1 1   -3  -37    1 o   29.606   13.906 -15.4382   26.173 -25.8694   39.287  -7.1141   35.096   34.174   16.335   35.861   16.593 -1.686996 23.28473 
1 1 1   -3  -37    2 o   31.749   15.145 -22.4793   33.405  126.297   89.487 -46.5689   36.009   63.295   28.156   29.363   14.401 33.93251 31.62482 
1 1 1   -3  -37    3 o   46.079   19.353   34.411   37.689  146.122   94.828   13.455   41.072   62.850   28.386   41.140   18.622 21.71035 33.94861 
1 1 1   -3  -37    4 o   23.435   11.734 -62.0645   29.098  109.151   95.704 -79.5043   30.544   55.373   26.187   22.532   11.378 32.84146 28.55215 
1 1 1   -3  -36    1 o   45.386   17.272   28.903   27.094   80.555   40.391 -13.3513   36.532   67.408   21.377   36.067   16.772 31.34169 27.17115 
1 1 1   -3  -36    2 o   98.128   15.134  144.264   35.893  189.606   50.688   98.664   50.832  106.924   19.710   70.260   24.062 36.66422 31.10386 
1 1 1   -3  -36    3 o   29.737   14.151 -22.6796   28.798   27.620   86.417 -28.9633   30.544   52.311   24.782   29.566   14.204 22.74425 28.56415 
1 1 1   -3  -36    4 o   56.226   20.754   59.417   38.487  172.729   99.371   39.420   41.745   69.987   30.445   49.162   20.487 20.82488 36.69627 
1 1 1   -3  -36    5 o   55.479   20.799   60.587   38.952   90.133  100.718   55.390   42.239   56.107   26.631   53.119   21.173 2.988571 34.02185 
1 1 1   -3  -36    6 o   54.106   26.135   96.468  106.771   96.468  106.771   0.0000   0.0000   54.106   26.135  ?   ?  0.000000 26.13476 
1 1 1   -3  -35    1 o  140.604   14.875  282.167   51.437  314.482   75.358  253.979   70.381  138.165   22.625  122.225   23.916 15.94052 32.92194 
1 1 1   -3  -35    2 o  104.842   13.947  156.760   35.609  178.611   49.877  134.045   50.854  106.116   19.542   87.550   22.973 18.56610 30.16021 
1 1 1   -3  -35    3 o   31.792   14.280  -3.5392   23.625 -15.4626   38.116   3.8988   30.105   36.529   17.035   37.440   16.508 -0.9115372 23.72123 
1 1 1   -3  -35    4 o   50.227   17.801   39.519   27.957   53.531   43.266   29.475   36.631   55.781   21.670   47.105   19.370 8.676292 29.06487 
1 1 1   -3  -35    5 o   50.958   19.320   42.433   33.822   62.024   93.502   39.483   36.279   57.390   26.736   49.915   19.708 7.475475 33.21461 
1 1 1   -3  -35    6 o   47.566   18.959   35.528   33.866   44.865   98.497   34.276   36.064   53.967   25.815   47.325   19.312 6.641529 32.23928 
1 1 1   -3  -35    7 o   52.014   20.030   49.870   36.713   17.612  104.030   54.459   39.237   50.121   24.560   53.448   20.672 -3.326687 32.10142 
1 1 1   -3  -34    1 o   62.293   16.584   56.677   26.255   69.865   39.243   45.992   35.325   67.000   21.050   56.436   20.009 10.56372 29.04222 
1 1 1   -3  -34    2 o  131.082   23.444  278.803   73.923  278.803   73.923   0.0000   0.0000  131.082   23.444  ?   ?  0.000000 23.44394 
1 1 1   -3  -34    3 o   73.975   16.475   81.355   29.654  101.863   43.971   64.246   40.162   78.477   21.707   62.871   21.389 15.60543 30.47385 
1 1 1   -3  -34    4 o   43.570   16.587   24.360   24.996   44.157   39.912   11.584   32.063   54.150   20.875   41.115   17.582 13.03571 27.29267 
1 1 1   -3  -34    5 o   51.772   17.535   41.268   26.993   60.955   43.050   28.513   34.650   59.586   21.957   47.115   19.038 12.47142 29.06148 
1 1 1   -3  -34    6 o   54.020   19.474   47.688   33.596   64.658   95.466   45.289   35.892   59.796   27.562   52.986   19.946 6.809536 34.02234 
1 1 1   -3  -34    7 o   30.302   14.170 -14.8463   26.669   14.481   95.430 -17.3306   27.775   52.596   25.226   30.399   14.294 22.19620 28.99372 
1 1 1   -3  -34    8 o   35.976   16.029   3.6446   29.123 -35.8818   96.902   7.5695   30.535   47.119   23.210   37.672   16.617 9.447289 28.54503 
1 1 1   -3  -34    9 o   60.488   28.633  131.812  114.912  131.812  114.912   0.0000   0.0000   60.488   28.633  ?   ?  0.000000 28.63318 
1 1 1   -3  -33    1 o  139.802   11.564  257.156   40.010  323.827   54.957  181.967   58.362  154.916   14.370  110.410   21.941 44.50648 26.22748 
1 1 1   -3  -33    2 o   40.052   15.496   16.463   22.056   33.184   36.557   6.8925   27.657   52.192   20.014   38.971   16.484 13.22169 25.92889 
1 1 1   -3  -33    3 o   28.062   12.879 -11.5518   20.536   6.2855   33.875 -21.9166   25.822   41.600   17.935   29.381   13.804 12.21923 22.63252 
1 1 1   -3  -33    4 o  108.831   15.150  166.950   40.056  162.275   59.900  170.731   53.873   98.534   24.458  104.521   21.362 -5.986130 32.47346 
1 1 1   -3  -33    5 o   89.925   14.664  115.034   31.794  145.525   47.334   89.967   42.917   96.288   20.324   73.877   21.780 22.41091 29.78992 
1 1 1   -3  -33    6 o   96.283   14.747  133.277   34.329  138.399   50.632  128.919   46.702   90.415   22.512   88.376   21.391 2.039032 31.05445 
1 1 1   -3  -33    7 o   42.014   16.408   21.618   24.907   26.349   43.001   19.230   30.553   48.431   20.524   42.826   17.659 5.604725 27.07566 
1 1 1   -3  -33    8 f   34.725   15.406   0.8731   26.620  146.257   95.303 -11.4297   27.724   73.377   30.795   32.010   14.789 41.36729 34.16198 
1 1 1   -3  -33    9 o   28.831   13.583 -17.8397   25.307 -158.8738   97.716  -7.7001   26.201   40.776   20.561   31.816   14.582 8.960323 25.20638 
1 1 1   -3  -33   10 o   49.426   19.413   39.673   35.029   0.0000   0.0000   39.673   35.029  ?   ?    49.426   19.413 0.000000 19.41334 
1 1 1   -3  -32    1 o   55.828   16.737   42.671   25.180   37.642   40.717   45.785   32.041   56.412   21.242   58.118   19.092 -1.705978 28.56125 
1 1 1   -3  -32    2 o   51.197   16.441   35.240   23.833   59.356   37.805   19.334   30.703   64.602   20.702   45.701   18.103 18.90177 27.50124 
1 1 1   -3  -32    3 o  167.175   11.892  367.205   49.323  396.431   65.976  330.173   74.265  170.710   15.651  151.811   20.083 18.89960 25.46112 
1 1 1   -3  -32    4 o   60.629   16.935   52.594   26.625   10.352   41.274   82.700   34.845   46.531   19.924   75.206   18.646 -28.67530 27.28849 
1 1 1   -3  -32    5 o   83.169   24.356  112.817   53.827  112.817   53.827   0.0000   0.0000   83.169   24.356  ?   ?  0.000000 24.35591 
1 1 1   -3  -32    6 o   75.550   16.262   82.711   29.772   51.743   45.644  105.643   39.277   59.444   22.466   83.483   19.236 -24.03943 29.57632 
1 1 1   -3  -32    7 o   60.747   17.399   55.629   27.742   46.361   45.103   61.269   35.186   56.650   22.092   62.500   19.966 -5.849407 29.77775 
1 1 1   -3  -32    8 o  133.212   13.548  248.322   44.442  242.413   63.290  254.070   62.420  122.474   21.477  126.794   20.406 -4.320076 29.62560 
1 1 1   -3  -32    9 o   42.247   17.542   17.522   30.449   0.0000   0.0000   17.522   30.449  ?   ?    42.247   17.542 0.000000 17.54238 
1 1 1   -3  -32   10 o   69.959   31.459  140.637  115.011  140.637  115.011   0.0000   0.0000   69.959   31.459  ?   ?  0.000000 31.45921 
1 1 1   -3  -32   11 o   67.285   21.003   81.229   39.141 -31.1479  119.425   94.752   41.429   51.756   25.546   72.448   21.411 -20.69243 33.33185 
1 1 1   -3  -32   12 o   68.110   31.581  187.053  128.095  187.053  128.095   0.0000   0.0000   68.110   31.581  ?   ?  0.000000 31.58099 
1 1 1   -3  -31    1 o  131.522   11.229  223.110   36.527  289.289   50.444  150.159   52.963  148.771   13.733  103.427   21.218 45.34397 25.27443 
1 1 1   -3  -31    2 o  141.780   11.645  260.345   40.866  292.928   55.864  222.836   59.937  148.594   15.272  127.084   19.510 21.51002 24.77662 
1 1 1   -3  -31    3 o  166.463   14.596  367.173   60.062  454.442  108.346  328.457   72.165  175.856   25.409  154.265   19.145 21.59172 31.81390 
1 1 1   -3  -31    4 o   74.463   15.484   76.308   27.854   65.186   42.485   84.694   36.888   67.521   21.975   76.942   19.247 -9.421608 29.21213 
1 1 1   -3  -31    5 o   66.552   16.339   62.260   26.955   51.115   42.200   69.941   35.033   61.156   21.849   69.471   19.432 -8.314667 29.24057 
1 1 1   -3  -31    6 o  115.636   13.018  179.200   36.938  192.764   53.497  166.841   51.064  115.670   19.193  106.977   19.846 8.692993 27.60872 
1 1 1   -3  -31    7 o  154.993   22.739  367.994   85.393  367.994   85.393   0.0000   0.0000  154.993   22.739  ?   ?  0.000000 22.73899 
1 1 1   -3  -31    8 o   44.086   16.354   24.058   23.956 -18.8551   44.051   42.079   28.547   40.187   18.594   54.016   18.034 -13.82837 25.90263 
1 1 1   -3  -31    9 o   51.483   17.528   38.334   26.973   98.670   47.162   9.0053   32.881   76.741   22.883   41.306   17.738 35.43572 28.95275 
1 1 1   -3  -31   10 o   44.159   16.451   25.564   24.294   27.127   46.009   24.960   28.607   50.201   21.249   45.010   17.583 5.190228 27.58071 
1 1 1   -3  -31   11 o   85.321   19.324  116.661   40.215  132.174  113.446  114.432   43.008   71.440   31.744   82.878   20.811 -11.43782 37.95741 
1 1 1   -3  -31   12 o   63.555   19.962   68.447   35.293   31.516  114.815   72.300   37.089   57.773   27.698   64.859   20.476 -7.085335 34.44492 
1 1 1   -3  -31   13 o  119.500   18.475  229.636   53.352  307.429  131.757  214.379   58.350   87.755   36.470  110.556   21.910 -22.80031 42.54486 
1 1 1   -3  -30    1 f  108.185   12.127  151.478   32.199  169.038   45.095  133.214   45.991  112.770   16.501   98.772   19.338 13.99818 25.42184 
1 1 1   -3  -30    2 o  129.808   12.651  218.370   40.486  158.934   54.572  291.128   60.379  107.028   21.168  148.244   16.595 -41.21674 26.89779 
1 1 1   -3  -30    3 o  101.623   12.657  134.878   31.424  145.628   45.635  125.184   43.334  103.335   18.357   95.427   18.853 7.907669 26.31437 
1 1 1   -3  -30    4 o   59.551   18.257   48.124   29.726 -108.9766   85.312   69.833   31.713   48.037   23.241   71.000   17.893 -22.96341 29.33137 
1 1 1   -3  -30    5 o  207.058   11.782  555.300   60.667  616.109   80.040  473.198   93.005  215.816   14.944  184.500   20.535 31.31575 25.39663 
1 1 1   -3  -30    6 o  116.606   12.830  179.421   36.742  169.500   53.394  188.345   50.637  109.107   20.345  116.667   17.957 -7.560066 27.13612 
1 1 1   -3  -30    7 o  132.485   12.357  231.521   40.409  250.431   57.800  213.443   56.514  134.283   17.666  122.881   19.033 11.40188 25.96755 
1 1 1   -3  -30    8 o   52.474   22.130   20.484   49.605   20.484   49.605   0.0000   0.0000   52.474   22.130  ?   ?  0.000000 22.12974 
1 1 1   -3  -30    9 o   41.985   16.012   19.540   23.319 -10.3433   41.525   33.304   28.182   41.207   18.682   50.103   17.860 -8.895813 25.84535 
1 1 1   -3  -30   10 o  112.478   13.626  173.857   37.491  175.750   56.547  172.372   50.080  105.740   22.126  107.277   19.409 -1.537590 29.43195 
1 1 1   -3  -30   11 o  132.344   12.679  239.543   41.390  295.052   61.717  194.167   55.799  141.265   17.896  111.369   20.830 29.89619 27.46179 
1 1 1   -3  -30   12 o   70.542   18.974   78.666   34.152  138.968  111.649   72.441   35.871   75.186   32.488   66.931   19.956 8.254517 38.12760 
1 1 1   -3  -30   13 o   79.087   19.509  101.352   38.290   88.028  117.756  102.927   40.490   65.474   30.331   78.786   20.414 -13.31218 36.56088 
1 1 1   -3  -30   14 o   66.677   19.780   75.032   35.306   90.476  120.065   73.570   36.939   63.599   29.844   65.435   20.401 -1.835861 36.15066 
1 1 1   -3  -29    1 o  175.577   19.505  410.244   84.072  410.244   84.072   0.0000   0.0000  175.577   19.505  ?   ?  0.000000 19.50466 
1 1 1   -3  -29    2 o   52.814   15.463   36.846   21.699   11.009   34.611   53.576   27.851   45.668   18.809   63.039   17.210 -17.37100 25.49430 
1 1 1   -3  -29    3 o  256.319   12.750  842.110   81.609  846.417  103.400  834.995  132.901  254.400   16.363  248.550   21.628 5.850266 27.12030 
1 1 1   -3  -29    4 o  310.848   13.376  1244.55  103.831  1335.50  130.789  1089.52  170.754  319.139   16.467  280.004   24.673 39.13477 29.66337 
1 1 1   -3  -29    5 o  163.235   11.351  342.483   45.981  394.991   62.972  282.513   67.298  173.757   14.650  144.422   19.131 29.33464 24.09572 
1 1 1   -3  -29    6 o   49.987   17.116   31.259   25.719 -22.2226   89.315   36.095   26.857   59.981   27.272   52.821   17.486 7.159832 32.39607 
1 1 1   -3  -29    7 o   58.663   18.333   46.829   29.812   0.0000   0.0000   46.829   29.812  ?   ?    58.663   18.333 0.000000 18.33317 
1 1 1   -3  -29    8 o  139.958   18.047  269.765   61.606  269.765   61.606   0.0000   0.0000  139.958   18.047  ?   ?  0.000000 18.04723 
1 1 1   -3  -29    9 o  118.053   13.026  185.232   37.761  181.418   55.487  188.523   51.537  112.059   20.588  115.789   18.442 -3.729988 27.64001 
1 1 1   -3  -29   10 f  103.201   14.255  144.910   35.757  236.167   60.642   96.273   44.272  127.941   19.606   79.693   21.673 48.24761 29.22531 
1 1 1   -3  -29   11 o   89.965   14.723  112.366   31.932  108.068   51.043  115.130   40.931   82.093   23.625   88.191   19.136 -6.098167 30.40268 
1 1 1   -3  -29   12 o   77.934   15.894   87.367   29.883   97.362   50.646   82.028   37.013   76.474   23.895   72.948   19.808 3.525589 31.03744 
1 1 1   -3  -29   13 o   60.438   18.633   56.106   30.914   54.373  110.139   56.254   32.209   65.134   29.868   60.352   19.084 4.781849 35.44426 
1 1 1   -3  -29   14 o   37.823   15.781   10.830   24.812   59.920  113.247   8.3552   25.430   63.914   29.656   37.193   15.774 26.72035 33.59004 
1 1 1   -3  -29   15 o   94.767   18.240  139.985   41.599  284.107  125.655  122.245   44.085   94.215   36.837   85.636   20.818 8.579109 42.31278 
1 1 1   -3  -29   16 o   59.749   19.366   59.759   33.010  131.925  126.668   54.501   34.191   67.431   31.315   57.079   19.725 10.35259 37.00903 
1 1 1   -3  -28    1 o  232.645   12.498  691.263   72.343  632.841   91.265  790.023  118.661  220.640   16.688  244.897   19.567 -24.25751 25.71626 
1 1 1   -3  -28    2 o  195.676   11.571  488.312   56.288  485.237   72.439  492.997   89.422  193.647   15.099  193.395   18.752 0.2523346 24.07516 
1 1 1   -3  -28    3 o  264.805   22.722  944.865  148.795  944.865  148.795   0.0000   0.0000  264.805   22.722  ?   ?  0.000000 22.72160 
1 1 1   -3  -28    4 o  140.218   11.692  252.126   40.567  252.139   55.303  252.111   59.690  138.544   16.297  137.919   17.743 0.6250458 24.09095 
1 1 1   -3  -28    5 o  253.456   12.399  821.785   78.478  876.948  100.254  734.493  126.115  259.653   15.533  232.961   21.937 26.69148 26.87942 
1 1 1   -3  -28    6 o   72.230   18.379   71.479   33.233   0.0000   0.0000   71.479   33.233  ?   ?    72.230   18.379 0.000000 18.37934 
1 1 1   -3  -28    7 o   96.265   33.149  139.994   96.526  139.994   96.526   0.0000   0.0000   96.265   33.149  ?   ?  0.000000 33.14854 
1 1 1   -3  -28    8 o  191.299   12.472  473.833   59.255  455.262   78.671  498.182   90.082  184.529   17.274  191.745   19.066 -7.216019 25.72717 
1 1 1   -3  -28    9 o  202.014   11.667  527.967   58.606  616.907   79.166  420.120   87.175  216.211   14.751  173.972   20.457 42.23837 25.22005 
1 1 1   -3  -28   10 o  150.831   11.840  296.770   44.237  356.711   63.305  239.568   61.842  162.858   15.763  130.740   19.542 32.11795 25.10693 
1 1 1   -3  -28   11 o  200.860   22.856  592.319  112.600  592.319  112.600   0.0000   0.0000  200.860   22.856  ?   ?  0.000000 22.85592 
1 1 1   -3  -28   12 o   45.922   16.328   26.647   23.541 -22.2442   45.132   44.921   27.592   40.862   18.876   56.368   17.641 -15.50637 25.83593 
1 1 1   -3  -28   13 o  102.590   13.497  143.610   33.738  200.403   54.698  108.735   42.862  116.588   19.474   84.490   20.519 32.09765 28.28954 
1 1 1   -3  -28   14 o   57.704   16.707   48.916   25.456   93.635   48.946   32.336   29.803   75.064   23.496   49.332   18.252 25.73162 29.75287 
1 1 1   -3  -28   15 o  168.821   16.402  412.581   68.275  509.527  140.592  382.662   78.103  147.827   37.905  156.968   20.408 -9.140671 43.04978 
1 1 1   -3  -28   16 o   63.599   19.153   64.716   32.920   63.698  118.649   64.801   34.265   64.219   29.984   63.339   19.632 0.8805962 35.83918 
1 1 1   -3  -28   17 o   79.730   19.219  102.818   37.817  199.319  126.735   93.385   39.623   78.499   34.260   74.407   20.614 4.092186 39.98368 
1 1 1   -3  -27    1 o  197.683   11.638  497.266   57.199  466.518   72.848  546.698   92.366  190.081   15.482  204.587   18.272 -14.50581 23.94863 
1 1 1   -3  -27    2 o  253.603   12.367  817.892   78.316  816.641   98.471  820.045  129.195  251.543   15.756  248.991   20.974 2.552338 26.23249 
1 1 1   -3  -27    3 o  369.755   15.511  1758.90  143.223  1739.21  177.309  1795.86  242.954  364.070   19.575  362.148   27.061 1.922241 33.39813 
1 1 1   -3  -27    4 o  215.023   20.614  614.249  109.332  614.249  109.332   0.0000   0.0000  215.023   20.614  ?   ?  0.000000 20.61415 
1 1 1   -3  -27    5 o  140.290   12.634  253.081   43.785  192.262   60.123  321.759   63.890  119.035   20.994  156.790   16.569 -37.75545 26.74437 
1 1 1   -3  -27    6 o  309.928   14.129  1234.57  109.353  1212.69  136.897  1273.15  181.770  303.930   18.120  305.932   23.985 -2.002747 30.05998 
1 1 1   -3  -27    7 f   94.005   13.257  115.408   30.256  106.465   45.523  122.485   40.494   87.709   21.052   95.414   17.645 -7.704948 27.46891 
1 1 1   -3  -27    8 o  130.914   12.012  220.965   38.830  229.578   55.177  212.514   54.654  131.353   17.238  126.026   17.867 5.327461 24.82674 
1 1 1   -3  -27    9 o  276.719   16.631  1009.25  114.393  1076.45  179.435  963.233  148.478  275.171   26.438  264.429   22.706 10.74197 34.85015 
1 1 1   -3  -27   10 o   94.601   13.811  118.408   31.666  118.859   49.312  118.091   41.308   91.359   21.900   92.544   18.521 -1.185127 28.68140 
1 1 1   -3  -27   11 o  208.470   12.775  566.351   66.183  547.660   87.628  591.172  100.981  201.268   17.612  207.159   19.760 -5.891098 26.46946 
1 1 1   -3  -27   12 o  126.355   13.099  211.005   40.730  221.988   59.582  201.369   55.807  125.573   19.644  119.714   19.326 5.858490 27.55707 
1 1 1   -3  -27   13 o   53.665   16.482   39.800   24.214   81.972   45.794   23.434   28.528   73.847   22.664   46.302   17.698 27.54424 28.75568 
1 1 1   -3  -27   14 o  126.843   12.793  215.367   39.969  245.365   60.543  192.192   53.214  130.393   19.165  115.197   19.172 15.19529 27.10868 
1 1 1   -3  -27   15 o   97.188   14.995  131.966   35.220  109.163   57.229  145.868   44.685   80.474   25.438   99.531   18.664 -19.05705 31.55058 
1 1 1   -3  -27   16 o   40.444   15.997   16.815   23.942  103.730  113.436   12.762   24.494   73.417   32.217   38.953   15.907 34.46362 35.93038 
1 1 1   -3  -27   17 o   65.501   18.927   67.280   32.701  -8.0930  117.170   73.647   34.054   58.329   27.969   68.371   19.171 -10.04175 33.90865 
1 1 1   -3  -27   18 o   83.096   19.511  110.484   39.796   39.807  128.700  117.956   41.846   61.954   29.601   85.505   19.961 -23.55096 35.70249 
1 1 1   -3  -27   19 o   68.671   32.055  134.986  135.480  134.986  135.480   0.0000   0.0000   68.671   32.055  ?   ?  0.000000 32.05479 
1 1 1   -3  -26    1 o  278.096   13.135  983.416   91.214  939.578  113.542  1063.19  153.169  269.734   16.943  284.008   21.762 -14.27393 27.58007 
1 1 1   -3  -26    2 o  147.054   11.308  275.364   41.207  247.712   53.933  314.143   63.869  138.091   15.932  155.423   16.719 -17.33192 23.09455 
1 1 1   -3  -26    3 o  321.802   13.895  1321.56  111.661  1325.02  138.861  1315.22  187.835  319.810   17.453  313.493   24.181 6.317078 29.82148 
1 1 1   -3  -26    4 o   53.721   15.037   38.073   20.970   9.4043   33.195   57.110   27.050   44.636   18.406   65.335   16.559 -20.69910 24.75853 
1 1 1   -3  -26    5 o  139.777   11.647  249.671   40.283  251.202   55.328  247.944   58.765  138.725   16.281  137.343   17.534 1.382111 23.92740 
1 1 1   -3  -26    6 o  235.508   21.379  738.541  124.359  738.541  124.359   0.0000   0.0000  235.508   21.379  ?   ?  0.000000 21.37864 
1 1 1   -3  -26    7 o  108.704   12.000  152.165   32.031  170.221   46.853  136.320   43.890  113.407   17.074  100.909   18.082 12.49794 24.86880 
1 1 1   -3  -26    8 o  154.197   12.289  305.184   46.927  262.379   63.406  357.028   69.780  140.470   18.528  164.806   17.209 -24.33594 25.28715 
1 1 1   -3  -26    9 o   93.384   13.295  113.928   30.127  115.274   46.542  112.957   39.525   91.391   20.854   91.443   17.950 -0.5220032E-01 27.51523 
1 1 1   -3  -26   10 o  101.413   15.877  136.713   38.889  185.360  100.725  128.191   42.158  109.792   33.598   97.332   18.008 12.46015 38.12028 
1 1 1   -3  -26   11 o   77.716   15.185   81.140   28.413   57.585   46.352   95.319   35.962   66.372   22.964   83.475   17.796 -17.10372 29.05237 
1 1 1   -3  -26   12 o  111.686   13.402  163.895   36.632  140.293   55.584  182.016   48.705   98.757   22.972  115.945   17.355 -17.18760 28.79102 
1 1 1   -3  -26   13 o  148.178   12.689  287.227   46.501  279.204   66.663  294.830   64.896  142.018   19.297  146.837   18.080 -4.818527 26.44361 
1 1 1   -3  -26   14 o  127.446   23.916  241.529   73.318  241.529   73.318   0.0000   0.0000  127.446   23.916  ?   ?  0.000000 23.91576 
1 1 1   -3  -26   15 o   60.961   16.655   52.620   26.074   49.495   48.544   53.888   30.912   61.206   23.160   61.357   18.578 -0.1511765 29.69083 
1 1 1   -3  -26   16 o  183.153   12.184  445.845   55.406  543.148   79.553  354.189   77.210  197.695   16.258  155.039   20.441 42.65532 26.11839 
1 1 1   -3  -26   17 o   81.551   15.551   94.703   30.513  122.204   54.642   82.242   36.782   85.628   24.381   73.289   19.682 12.33925 31.33385 
1 1 1   -3  -26   18 o   45.236   16.943   26.094   25.837   12.910  118.322   26.755   26.476   61.680   29.154   45.712   17.146 15.96826 33.82200 
1 1 1   -3  -26   19 o  105.322   18.159  168.356   46.035  135.396  130.649  173.028   49.189   73.725   33.306  105.532   19.380 -31.80689 38.53355 
1 1 1   -3  -26   20 o   49.193   18.039   35.322   29.006   21.958  133.557   35.984   29.715   60.176   29.106   49.567   18.246 10.60910 34.35238 
1 1 1   -3  -25    1 o  113.267   10.517  163.242   29.407  165.902   39.674  159.998   43.808  113.303   14.344  110.687   16.340 2.616104 21.74278 
1 1 1   -3  -25    2 o   49.858   13.900   32.566   17.955   22.993   27.818   39.401   23.507   47.475   17.620   54.932   16.098 -7.457512 23.86665 
1 1 1   -3  -25    3 o  113.118   15.026  166.177   41.393   76.827   76.307  203.432   49.273   80.273   29.286  124.994   16.164 -44.72137 33.45056 
1 1 1   -3  -25    4 o  206.213   18.992  555.825   96.698   0.0000   0.0000  555.825   96.698  ?   ?   206.213   18.992 0.000000 18.99153 
1 1 1   -3  -25    5 f  122.584   16.634  196.628   49.604  196.628   49.604   0.0000   0.0000  122.584   16.634  ?   ?  0.000000 16.63392 
1 1 1   -3  -25    6 f   77.219   13.163   77.950   24.473   83.161   37.243   73.990   32.466   78.439   19.175   74.197   17.759 4.241676 26.13519 
1 1 1   -3  -25    7 o  286.022   23.564  1096.69  166.806  1096.69  166.806   0.0000   0.0000  286.022   23.564  ?   ?  0.000000 23.56371 
1 1 1   -3  -25    8 o  258.773   12.377  852.601   79.982  898.438  102.111  779.832  128.658  263.740   15.573  242.019   21.512 21.72064 26.55768 
1 1 1   -3  -25    9 o  112.867   12.454  164.249   34.517  152.949   50.354  174.265   47.408  106.456   19.666  114.791   17.057 -8.334824 26.03244 
1 1 1   -3  -25   10 o   60.460   15.725   49.007   23.966   33.922   41.437   56.589   29.378   56.816   21.422   64.787   17.670 -7.970989 27.76944 
1 1 1   -3  -25   11 o  268.646   13.518  929.165   90.397  915.648  115.672  950.372  144.887  263.900   17.654  265.191   22.079 -1.291443 28.26959 
1 1 1   -3  -25   12 o  140.431   12.334  254.535   42.814  276.006   63.721  236.864   57.807  143.665   18.168  133.110   17.840 10.55577 25.46203 
1 1 1   -3  -25   13 o  223.621   12.834  646.586   71.368  655.143   94.567  635.264  108.779  222.129   17.182  216.132   20.396 5.996719 26.66854 
1 1 1   -3  -25   14 o  174.026   12.915  394.497   55.723  364.293   77.328  427.123   80.369  163.093   19.365  177.457   18.404 -14.36391 26.71521 
1 1 1   -3  -25   15 o  170.824   22.691  418.695   94.399  418.695   94.399   0.0000   0.0000  170.824   22.691  ?   ?  0.000000 22.69073 
1 1 1   -3  -25   16 o  119.036   13.536  189.076   39.522  210.331   62.862  175.183   50.823  119.990   21.782  111.246   18.976 8.743637 28.88793 
1 1 1   -3  -25   17 o  104.382   13.769  147.520   35.015  201.919   59.172  118.206   43.436  116.907   21.043   89.587   19.930 27.31979 28.98285 
1 1 1   -3  -25   18 o   36.833   14.912   10.748   21.304   43.542   51.144   3.8630   23.434   58.372   23.288   35.276   15.057 23.09630 27.73171 
1 1 1   -3  -25   19 o   70.375   18.951   75.592   34.046  102.421  135.623   73.788   35.172   74.266   33.705   69.190   19.512 5.076233 38.94549 
1 1 1   -3  -25   20 o   52.324   18.023   40.143   28.535   45.986  129.173   39.844   29.258   65.255   30.727   52.222   18.235 13.03323 35.73014 
1 1 1   -3  -25   21 o   76.902   19.255   93.990   36.893  141.466  141.200   90.511   38.221   72.958   33.589   74.685   20.066 -1.726868 39.12630 
1 1 1   -3  -24    1 o  124.085   10.381  195.351   31.873  211.950   42.729  174.530   47.855  128.607   13.507  115.634   17.087 12.97305 21.78070 
1 1 1   -3  -24    2 o  107.056   11.798  146.586   31.017   93.222   41.667  212.905   46.451   83.278   20.235  128.536   14.738 -45.25777 25.03350 
1 1 1   -3  -24    3 f  292.715   22.864  1128.49  165.802   0.0000   0.0000  1128.49  165.802  ?   ?   292.715   22.864 0.000000 22.86411 
1 1 1   -3  -24    4 o  154.097   24.602  320.492   91.486  320.492   91.486   0.0000   0.0000  154.097   24.602  ?   ?  0.000000 24.60188 
1 1 1   -3  -24    5 o  165.872   11.318  349.622   46.599  331.167   60.847  375.801   72.468  160.228   15.397  170.084   17.303 -9.855972 23.16161 
1 1 1   -3  -24    6 o  204.499   10.964  530.352   55.787  576.925   72.286  461.757   87.727  212.411   13.701  187.876   18.958 24.53529 23.39048 
1 1 1   -3  -24    7 o  144.610   11.350  266.402   40.658  250.956   54.716  285.448   60.757  138.946   16.066  148.062   16.726 -9.115524 23.19163 
1 1 1   -3  -24    8 o   95.495   12.151  117.568   28.320  127.565   42.403  109.520   38.049   97.863   18.015   90.680   17.436 7.183098 25.07123 
1 1 1   -3  -24    9 o  271.454   15.467  949.578  104.409  952.242  150.143  947.083  145.291  267.121   22.724  266.932   21.992 0.1892700 31.62363 
1 1 1   -3  -24   10 o  261.582   12.924  872.655   84.422  868.697  107.786  878.935  135.786  258.656   16.778  257.188   21.335 1.467743 27.14186 
1 1 1   -3  -24   11 o  159.367   11.326  324.182   44.779  368.331   62.622  277.986   64.057  168.576   15.034  145.058   18.076 23.51849 23.51060 
1 1 1   -3  -24   12 o  185.198   11.581  438.233   53.288  492.941   72.906  375.480   78.083  194.951   15.093  168.182   18.920 26.76894 24.20310 
1 1 1   -3  -24   13 o  109.173   16.910  158.727   44.610   22.152  113.275  183.797   48.532   75.166   32.601  117.586   17.023 -42.41988 36.77798 
1 1 1   -3  -24   14 o  190.646   12.163  467.626   57.605  496.193   79.168  435.485   83.975  194.055   16.493  180.227   18.942 13.82748 25.11647 
1 1 1   -3  -24   15 o   91.284   14.135  110.545   31.179  123.321   52.786  103.699   38.641   92.770   22.919   86.719   18.412 6.050278 29.39908 
1 1 1   -3  -24   16 o  222.765   12.046  643.163   66.760  760.772   91.466  509.076   97.663  239.635   15.366  191.344   20.773 48.29117 25.83839 
1 1 1   -3  -24   17 f   57.834   23.670   30.666   54.379   30.666   54.379   0.0000   0.0000   57.834   23.670  ?   ?  0.000000 23.66961 
1 1 1   -3  -24   18 o   26.640   12.030  -7.4864   17.025   18.498   48.432 -11.1500   18.186   51.898   21.876   26.465   12.136 25.43287 25.01659 
1 1 1   -3  -24   19 o   26.787   12.102  -7.2833   17.254 -46.5082   49.200  -1.7829   18.424   38.589   18.400   29.766   13.025 8.822977 22.54322 
1 1 1   -3  -24   20 o   58.291   17.978   49.986   28.774  129.221  128.556   45.807   29.523   79.550   34.616   56.092   18.322 23.45718 39.16604 
1 1 1   -3  -24   21 f   85.531   18.535  110.643   38.446  117.505  134.195  110.030   40.128   74.820   33.782   84.562   19.413 -9.741867 38.96260 
1 1 1   -3  -24   22 o   87.433   19.922  120.795   42.527 -110.9185  155.395  139.555   44.215   56.262   28.005   94.791   19.334 -38.52833 34.03110 
1 1 1   -3  -24   23 o   64.723   31.498   59.664  162.805   59.664  162.805   0.0000   0.0000   64.723   31.498  ?   ?  0.000000 31.49818 
1 1 1   -3  -23    1 o  197.782   18.949  505.643   92.445  505.643   92.445   0.0000   0.0000  197.782   18.949  ?   ?  0.000000 18.94936 
1 1 1   -3  -23    2 o   40.423   13.334   19.776   15.624  -0.4038   26.097   31.049   19.505   37.068   15.857   49.166   14.729 -12.09881 21.64199 
1 1 1   -3  -23    3 o  133.156   10.581  224.839   34.893  232.736   46.291  214.448   53.099  134.739   13.961  128.475   16.966 6.263809 21.97111 
1 1 1   -3  -23    4 o  154.474   11.219  302.805   42.984  268.878   55.854  352.083   67.315  144.367   15.748  165.164   16.543 -20.79701 22.84064 
1 1 1   -3  -23    5 o  334.972   14.395  1428.09  120.416  1402.38  149.226  1476.09  203.873  329.625   18.200  333.754   24.636 -4.129608 30.62898 
1 1 1   -3  -23    6 o  230.385   14.872  679.651   85.105  672.584  130.966  684.817  111.968  224.987   23.665  229.111   19.764 -4.124435 30.83253 
1 1 1   -3  -23    7 o  225.464   11.090  642.683   62.440  696.818   80.003  558.318   99.873  233.602   13.775  206.636   19.589 26.96626 23.94761 
1 1 1   -3  -23    8 o  158.075   11.142  317.608   43.701  319.761   58.460  314.880   65.794  157.482   15.049  155.511   17.232 1.970642 22.87805 
1 1 1   -3  -23    9 o  331.834   14.172  1405.33  117.434  1419.48  146.600  1380.01  196.181  331.008   17.801  321.103   24.654 9.904480 30.40885 
1 1 1   -3  -23   10 o  176.276   19.789  409.784   85.605  409.784   85.605   0.0000   0.0000  176.276   19.789  ?   ?  0.000000 19.78891 
1 1 1   -3  -23   11 o  167.173   11.345  355.932   47.083  378.976   64.286  329.271   69.150  171.224   15.193  158.512   17.776 12.71252 23.38356 
1 1 1   -3  -23   12 o  119.761   12.157  184.238   35.853  195.681   53.148  174.681   48.569  121.517   18.064  114.900   17.478 6.616882 25.13571 
1 1 1   -3  -23   13 o  166.444   11.318  353.505   46.765  411.349   65.892  294.800   66.381  178.235   14.942  149.373   18.170 28.86195 23.52502 
1 1 1   -3  -23   14 o   34.174   14.094   5.0939   19.464  161.070  106.779  -0.2667   19.796  104.233   34.878   32.160   13.785 72.07288 37.50354 
1 1 1   -3  -23   15 o  237.015   12.512  721.458   73.790  775.552   98.133  651.081  111.933  243.491   16.232  219.967   20.618 23.52408 26.24102 
1 1 1   -3  -23   16 o  193.019   12.839  481.620   61.533  473.091   84.664  491.169   89.585  188.084   18.256  191.138   19.022 -3.054459 26.36460 
1 1 1   -3  -23   17 o  116.978   13.426  179.720   38.508  169.447   61.245  186.436   49.522  108.519   23.297  117.277   17.440 -8.758026 29.10147 
1 1 1   -3  -23   18 o  123.483   25.199  227.042   75.073  227.042   75.073   0.0000   0.0000  123.483   25.199  ?   ?  0.000000 25.19894 
1 1 1   -3  -23   19 o  135.747   13.473  245.022   45.069  221.666   69.040  262.367   59.494  121.919   23.529  137.587   17.728 -15.66853 29.46015 
1 1 1   -3  -23   20 o   52.187   16.416   37.722   23.858   69.011   54.661   30.358   26.518   68.151   24.798   48.651   17.327 19.50066 30.25151 
1 1 1   -3  -23   21 o  110.665   13.903  167.595   37.572  196.224   64.897  153.161   46.080  110.921   24.117  102.264   18.735 8.656967 30.53864 
1 1 1   -3  -23   22 o   86.587   18.593  112.421   39.001   0.0901  139.442  121.954   40.623   64.337   30.759   90.248   18.642 -25.91077 35.96775 
1 1 1   -3  -23   23 o   77.483   19.058   92.996   36.620   12.333  147.646   98.283   37.801   64.093   30.902   79.579   19.235 -15.48580 36.39973 
1 1 1   -3  -23   24 o   68.314   18.769   73.710   33.004  242.029  151.832   65.363   33.812   84.176   37.096   63.872   19.451 20.30358 41.88572 
1 1 1   -3  -22    1 o  195.103   11.064  480.329   53.683  459.206   67.842  515.704   87.796  190.053   14.402  200.586   17.710 -10.53293 22.82627 
1 1 1   -3  -22    2 o  163.385   13.922  339.945   56.261  339.945   56.261   0.0000   0.0000  163.385   13.922  ?   ?  0.000000 13.92223 
1 1 1   -3  -22    3 o  278.378   15.748  987.863  109.022  987.863  109.022   0.0000   0.0000  278.378   15.748  ?   ?  0.000000 15.74762 
1 1 1   -3  -22    4 o  133.198   10.559  224.804   34.834  228.833   46.306  219.552   52.870  133.644   14.087  130.223   16.638 3.420883 21.80108 
1 1 1   -3  -22    5 o  321.711   13.437  1311.66  107.952  1339.64  134.118  1260.18  181.919  323.445   16.662  309.766   23.697 13.67932 28.96847 
1 1 1   -3  -22    6 o  377.357   15.493  1815.47  145.999  1789.54  180.450  1864.60  248.428  371.965   19.495  374.066   26.772 -2.100708 33.11781 
1 1 1   -3  -22    7 o  149.210   14.709  286.105   54.092  197.483   93.227  331.082   66.415  118.403   31.121  159.927   16.885 -41.52361 35.40680 
1 1 1   -3  -22    8 o  297.217   13.248  1121.75   98.324  1128.54  122.869  1109.64  163.957  296.242   16.677  290.120   22.815 6.121185 28.26023 
1 1 1   -3  -22    9 o   85.828   12.498   95.287   26.000   93.234   39.179   96.902   34.755   83.294   19.226   85.481   16.881 -2.187851 25.58516 
1 1 1   -3  -22   10 o  331.575   14.258  1402.15  118.060  1408.07  147.551  1391.62  196.821  329.799   17.984  322.952   24.590 6.846771 30.46459 
1 1 1   -3  -22   11 o   56.244   20.180   35.943   36.036   35.943   36.036   0.0000   0.0000   56.244   20.180  ?   ?  0.000000 20.18029 
1 1 1   -3  -22   12 o  336.867   14.325  1450.37  120.505  1496.58  151.331  1370.30  199.216  339.575   17.909  319.035   25.211 20.54019 30.92467 
1 1 1   -3  -22   13 f  197.882   11.771  498.810   57.901  524.741   77.563  466.170   87.020  201.524   15.532  188.434   18.742 13.09015 24.34151 
1 1 1   -3  -22   14 o  129.569   12.148  215.371   38.848  228.121   57.560  204.705   52.646  131.375   18.020  124.572   17.399 6.803268 25.04853 
1 1 1   -3  -22   15 o   78.483   15.219   81.864   28.750   42.231   48.960  102.722   35.519   62.225   23.320   87.660   16.838 -25.43405 28.76372 
1 1 1   -3  -22   16 o  147.846   15.646  285.984   56.886  282.033  129.271  286.933   63.350  133.941   37.280  147.235   17.577 -13.29398 41.21600 
1 1 1   -3  -22   17 o  124.904   13.359  202.928   41.021  167.307   62.214  230.326   54.562  108.858   23.569  131.609   16.999 -22.75091 29.05974 
1 1 1   -3  -22   18 o   84.243   14.446   94.649   29.296  129.142   53.104   79.559   35.125   95.129   22.675   75.745   18.686 19.38400 29.38233 
1 1 1   -3  -22   19 o  179.567   18.996  441.324   83.886  441.324   83.886   0.0000   0.0000  179.567   18.996  ?   ?  0.000000 18.99591 
1 1 1   -3  -22   20 o  137.538   13.079  249.704   44.380  269.945   68.945  235.383   57.993  137.835   20.667  130.236   18.340 7.599258 27.63123 
1 1 1   -3  -22   21 o   94.612   15.064  122.681   34.398  100.564   60.685  133.150   41.753   79.652   26.280   96.974   17.901 -17.32224 31.79800 
1 1 1   -3  -22   22 o   17.784   8.7110 -24.5031   13.052 -54.3259   51.372 -22.4453   13.494   38.467   18.465   18.718   9.1000 19.74858 20.58540 
1 1 1   -3  -22   23 o  147.777   17.097  312.370   61.926  305.270  156.349  313.691   67.441  104.186   40.985  146.087   18.932 -41.90077 45.14621 
1 1 1   -3  -22   24 o  132.500   16.604  253.302   53.734  446.368  155.301  227.046   57.271  126.921   42.049  122.584   19.351 4.337265 46.28827 
1 1 1   -3  -22   25 o   72.034   18.688   80.830   33.904  229.302  158.393   73.701   34.709   83.597   37.303   68.186   19.438 15.41112 42.06377 
1 1 1   -3  -21    1 o   76.015   16.203   75.775   29.816   0.0000   0.0000   75.775   29.816  ?   ?    76.015   16.203 0.000000 16.20272 
1 1 1   -3  -21    2 o  146.503   12.895  272.389   46.695  272.389   46.695   0.0000   0.0000  146.503   12.895  ?   ?  0.000000 12.89509 
1 1 1   -3  -21    3 o  392.897   15.423  1954.42  151.319  1987.22  186.642  1891.51  258.487  394.802   18.931  380.041   27.421 14.76053 33.32130 
1 1 1   -3  -21    4 o  154.100   17.954  306.505   67.793  306.505   67.793   0.0000   0.0000  154.100   17.954  ?   ?  0.000000 17.95352 
1 1 1   -3  -21    5 o   73.109   11.573   68.976   20.424   93.114   30.748   49.916   27.323   84.450   15.136   61.664   17.131 22.78574 22.85974 
1 1 1   -3  -21    6 o  320.389   13.595  1299.94  108.768  1306.67  135.101  1287.55  183.370  319.538   16.992  313.694   23.581 5.843658 29.06535 
1 1 1   -3  -21    7 o  377.876   16.013  1820.63  151.106  1672.81  186.382  2104.13  258.116  359.079   20.876  398.769   26.064 -39.68948 33.39346 
1 1 1   -3  -21    8 o  343.746   13.560  1499.07  116.399  1602.35  144.976  1311.73  195.258  354.099   16.395  314.774   25.048 39.32437 29.93644 
1 1 1   -3  -21    9 o  283.537   16.330  1031.58  115.133  1029.31  172.682  1033.39  154.479  278.205   25.127  280.614   22.227 -2.408478 33.54709 
1 1 1   -3  -21   10 o   18.577   8.8065 -13.2518   10.947 -27.5119   26.511 -10.3203   12.020   29.719   13.971   20.867   9.6751 8.851585 16.99382 
1 1 1   -3  -21   11 o  375.131   14.739  1795.59  138.069  1894.98  172.090  1616.03  231.304  383.374   17.976  346.469   26.946 36.90555 32.39169 
1 1 1   -3  -21   12 o  205.749   11.978  538.247   61.277  534.189   80.027  543.999   95.270  203.603   15.865  204.168   18.900 -0.5653534 24.67648 
1 1 1   -3  -21   13 o   84.274   22.893   96.926   49.429   96.926   49.429   0.0000   0.0000   84.274   22.893  ?   ?  0.000000 22.89330 
1 1 1   -3  -21   14 o  129.952   12.191  216.255   39.100  215.357   56.596  217.074   54.082  127.758   18.259  128.629   17.274 -0.8705521 25.13504 
1 1 1   -3  -21   15 o  190.799   12.125  464.506   57.472  469.660   77.833  458.328   85.226  190.123   16.559  186.905   18.503 3.217911 24.83058 
1 1 1   -3  -21   16 o  129.003   12.330  213.751   39.238  235.075   59.584  197.422   52.139  133.191   18.406  122.185   17.596 11.00597 25.46361 
1 1 1   -3  -21   17 o  136.950   15.223  244.662   51.179  328.198  127.010  228.469   55.920  147.197   35.055  131.406   17.474 15.79089 39.16916 
1 1 1   -3  -21   18 o   83.865   14.993   93.481   30.247   95.480   53.785   92.556   36.579   82.462   24.403   82.423   18.253 0.3890228E-01 30.47426 
1 1 1   -3  -21   19 o   86.679   14.996  100.240   31.284  108.058   56.547   96.792   37.555   86.669   24.845   83.932   18.423 2.736183 30.93014 
1 1 1   -3  -21   20 o   89.256   14.969  106.871   32.183  107.321   57.819  106.669   38.739   85.400   25.308   87.812   18.261 -2.411880 31.20832 
1 1 1   -3  -21   21 o  105.088   27.425  171.454   72.735  171.454   72.735   0.0000   0.0000  105.088   27.425  ?   ?  0.000000 27.42522 
1 1 1   -3  -21   22 o   68.288   16.153   65.305   27.114  122.098   58.789   49.960   30.558   88.451   25.326   59.599   18.551 28.85144 31.39295 
1 1 1   -3  -21   23 o   82.501   15.772   95.333   31.310  107.925   62.186   91.057   36.238   81.076   26.596   78.975   18.670 2.101120 32.49480 
1 1 1   -3  -21   24 o   47.182   17.096   28.714   25.940 -192.9452  138.142   36.816   26.410   52.586   26.213   51.411   17.345 1.175144 31.43165 
1 1 1   -3  -21   25 o  139.124   17.212  279.895   58.521  324.368  164.332  273.436   62.626  102.254   41.410  135.542   19.027 -33.28725 45.57197 
1 1 1   -3  -21   26 o   88.245   19.262  120.215   41.255   0.0000   0.0000  120.215   41.255  ?   ?    88.245   19.262 0.000000 19.26212 
1 1 1   -3  -21   27 o   71.270   34.010  135.030  168.816  135.030  168.816   0.0000   0.0000   71.270   34.010  ?   ?  0.000000 34.01025 
1 1 1   -3  -20    1 o  101.400   25.226  136.520   63.615  136.520   63.615   0.0000   0.0000  101.400   25.226  ?   ?  0.000000 25.22602 
1 1 1   -3  -20    2 o  127.354   10.346  204.738   32.617  200.128   43.046  210.953   49.984  125.333   13.992  128.351   15.938 -3.017929 21.20850 
1 1 1   -3  -20    3 o  263.311   12.413  871.871   81.620  843.449  101.585  923.637  137.096  257.939   15.848  268.609   20.596 -10.66983 25.98715 
1 1 1   -3  -20    4 o  315.450   13.613  1254.42  107.239  1232.95  132.771  1294.71  181.883  311.423   17.139  316.862   23.147 -5.439331 28.80099 
1 1 1   -3  -20    5 o   55.061   18.795   35.733   31.012   35.733   31.012   0.0000   0.0000   55.061   18.795  ?   ?  0.000000 18.79455 
1 1 1   -3  -20    6 o   76.449   12.002   75.379   22.158   74.209   32.047   76.451   30.670   74.901   17.457   76.148   16.598 -1.246300 24.08765 
1 1 1   -3  -20    7 o  115.046   10.511  167.909   29.863  178.680   41.040  155.786   43.537  117.968   14.218  109.515   16.426 8.453011 21.72496 
1 1 1   -3  -20    8 o   96.819   11.332  119.765   26.879  124.698   38.334  114.995   37.698   97.709   16.284   93.634   16.737 4.075378 23.35151 
1 1 1   -3  -20    9 o  338.440   14.281  1454.28  120.700  1456.15  149.890  1450.82  203.563  336.635   17.895  331.795   24.747 4.839752 30.53876 
1 1 1   -3  -20   10 o  305.337   15.998  1193.18  121.561  1331.51  181.903  1081.56  163.406  318.534   23.023  286.952   22.997 31.58212 32.54136 
1 1 1   -3  -20   11 o  165.307   10.944  346.418   44.922  377.625   60.263  307.391   67.392  171.772   14.176  153.710   17.892 18.06197 22.82706 
1 1 1   -3  -20   12 o  139.390   11.295  247.133   38.979  261.144   54.238  232.168   56.055  142.189   15.528  133.456   17.222 8.733017 23.18838 
1 1 1   -3  -20   13 o  227.727   11.355  655.926   64.572  727.684   84.279  553.926  100.480  238.602   14.209  205.770   19.799 32.83194 24.37002 
1 1 1   -3  -20   14 o   78.578   22.675   83.323   46.962   83.323   46.962   0.0000   0.0000   78.578   22.675  ?   ?  0.000000 22.67496 
1 1 1   -3  -20   15 o  339.146   14.538  1469.63  123.126  1493.53  154.956  1428.70  202.791  339.160   18.364  326.369   25.074 12.79095 31.07970 
1 1 1   -3  -20   16 o  205.190   12.411  537.010   63.293  532.912   84.679  542.197   95.274  202.606   16.891  203.370   18.980 -0.7643738 25.40707 
1 1 1   -3  -20   17 o  220.274   11.850  618.148   64.943  703.156   88.068  516.819   96.151  233.514   15.185  197.858   19.723 35.65631 24.89152 
1 1 1   -3  -20   18 f  241.939   16.249  760.210   97.603  840.300  171.938  722.131  118.556  244.956   28.649  233.094   20.579 11.86232 35.27440 
1 1 1   -3  -20   19 o  129.369   13.159  216.537   41.919  209.080   65.361  221.747   54.636  123.420   22.014  129.323   17.356 -5.902802 28.03334 
1 1 1   -3  -20   20 o   39.353   15.052   14.480   20.643   19.789   50.403   13.409   22.628   55.130   22.701   39.943   15.628 15.18694 27.56075 
1 1 1   -3  -20   21 o  199.159   12.594  513.671   62.312  574.995   88.982  454.663   87.286  207.522   17.329  182.900   19.407 24.62132 26.01834 
1 1 1   -3  -20   22 o  113.235   26.858  194.856   74.796  194.856   74.796   0.0000   0.0000  113.235   26.858  ?   ?  0.000000 26.85766 
1 1 1   -3  -20   23 o   45.619   16.001   25.863   22.540   36.730   55.519   23.719   24.664   59.572   24.089   45.213   16.626 14.35921 29.26935 
1 1 1   -3  -20   24 o   77.731   16.679   85.478   31.406   54.191   62.308   96.133   36.362   64.682   25.737   81.663   18.286 -16.98048 31.57136 
1 1 1   -3  -20   25 o   62.686   17.565   57.307   28.596   15.930   64.677   67.361   31.882   55.043   24.236   67.540   18.402 -12.49628 30.43100 
1 1 1   -3  -20   26 o   61.134   18.454   55.893   30.535  153.863  155.988   51.989   31.137   81.388   36.615   59.079   18.773 22.30926 41.14659 
1 1 1   -3  -20   27 o   70.882   18.646   77.032   33.447  182.317  162.585   72.379   34.178   81.029   36.824   68.317   19.224 12.71153 41.53963 
1 1 1   -3  -20   28 o  124.427   17.259  230.204   52.183  481.932  178.260  206.610   54.574  112.684   43.927  115.178   19.681 -2.494041 48.13416 
1 1 1   -3  -19    1 f  336.179   14.108  1419.45  118.438  1374.85  146.169  1504.71  202.100  329.814   17.813  343.521   23.704 -13.70648 29.65162 
1 1 1   -3  -19    2 f  334.085   15.947  1405.19  133.045  1601.59  193.102  1227.71  183.568  354.729   21.906  309.814   23.912 44.91495 32.42962 
1 1 1   -3  -19    3 o  295.866   12.710  1099.41   93.903  1096.06  116.372  1105.67  158.977  294.516   15.882  294.280   21.788 0.2361145 26.96208 
1 1 1   -3  -19    4 o  505.745   18.894  3240.14  238.619  3304.34  293.236  3114.29  410.545  508.940   23.073  487.075   33.966 21.86520 41.06124 
1 1 1   -3  -19    5 o  292.344   12.190  1074.39   88.992  1141.69  110.938  952.903  149.044  300.887   14.765  272.386   22.102 28.50076 26.58038 
1 1 1   -3  -19    6 o  179.262   10.409  404.827   46.395  434.683   59.727  359.406   73.669  185.333   12.987  167.370   17.904 17.96242 22.11820 
1 1 1   -3  -19    7 o  317.688   24.117  1309.66  189.902  1309.66  189.902   0.0000   0.0000  317.688   24.117  ?   ?  0.000000 24.11738 
1 1 1   -3  -19    8 o  154.474   10.827  301.660   41.500  301.576   54.507  301.776   64.011  153.737   14.364  153.132   17.028 0.6054993 22.27722 
1 1 1   -3  -19    9 o  147.109   9.8483  273.290   35.970  331.621   48.713  203.354   53.339  161.670   12.155  125.102   17.557 36.56833 21.35408 
1 1 1   -3  -19   10 o  200.525   10.306  507.533   51.431  580.894   66.968  402.039   80.306  214.016   12.586  176.202   18.529 37.81429 22.39896 
1 1 1   -3  -19   11 o  191.757   13.849  468.746   65.871  518.182  109.436  440.661   82.486  198.482   22.476  184.539   18.134 13.94292 28.87890 
1 1 1   -3  -19   12 o  217.137   11.001  596.447   59.458  659.642   77.076  503.570   93.439  227.608   13.623  196.788   19.261 30.81985 23.59202 
1 1 1   -3  -19   13 o  130.425   12.095  217.033   38.945  171.749   53.605  267.654   56.675  113.841   19.561  143.880   16.047 -30.03940 25.30153 
1 1 1   -3  -19   14 o  225.126   12.197  643.709   68.312  634.109   88.280  658.038  107.848  222.080   16.026  224.767   19.405 -2.687393 25.16702 
1 1 1   -3  -19   15 o  178.980   11.722  407.168   52.103  410.555   70.162  403.004   77.799  178.416   15.915  175.998   17.953 2.417404 23.99151 
1 1 1   -3  -19   16 o  377.283   16.299  1827.21  153.558  1768.11  191.983  1932.15  255.845  367.310   21.018  378.023   27.286 -10.71353 34.44213 
1 1 1   -3  -19   17 o   46.375   15.118   26.698   20.106   84.459   41.667   9.1661   22.955   78.928   20.834   38.529   15.521 40.39909 25.98032 
1 1 1   -3  -19   18 o  226.600   12.047  653.967   67.924  739.301   91.807  550.763  100.963  239.496   15.433  204.344   20.044 35.15155 25.29648 
1 1 1   -3  -19   19 o  156.781   12.521  315.011   48.612  311.904   70.596  317.813   67.039  153.589   18.799  155.594   17.561 -2.005035 25.72511 
1 1 1   -3  -19   20 o   48.221   16.857   27.423   25.008   36.553  122.447   27.025   25.547   80.283   34.346   48.206   17.024 32.07669 38.33303 
1 1 1   -3  -19   21 o  216.127   12.537  600.435   67.372  664.823   93.824  531.895   96.803  224.933   16.825  199.224   19.717 25.70940 25.92003 
1 1 1   -3  -19   22 o  246.621   13.167  787.676   80.794  845.343  109.714  719.351  119.422  252.076   17.539  229.351   21.088 22.72495 27.42778 
1 1 1   -3  -19   23 o  153.421   21.437  330.127   79.885  330.127   79.885   0.0000   0.0000  153.421   21.437  ?   ?  0.000000 21.43659 
1 1 1   -3  -19   24 o   80.394   15.963   89.043   30.917  106.820   62.136   83.193   35.642   83.291   26.525   76.458   18.799 6.833405 32.51133 
1 1 1   -3  -19   25 o  142.081   18.271  283.774   63.324   0.0000   0.0000  283.774   63.324  ?   ?   142.081   18.271 0.000000 18.27115 
1 1 1   -3  -19   26 o  119.675   26.443  233.579   76.921  233.579   76.921   0.0000   0.0000  119.675   26.443  ?   ?  0.000000 26.44348 
1 1 1   -3  -19   27 o   36.747   15.106   9.5512   22.270   52.072  155.625   8.6623   22.502   71.872   33.807   36.504   15.113 35.36806 37.03114 
1 1 1   -3  -19   28 o   98.160   18.391  143.684   43.425  121.148  167.620  145.306   44.960   75.989   35.532   98.171   19.026 -22.18183 40.30543 
1 1 1   -3  -19   29 o   72.801   19.096   83.022   35.146   90.593  171.525   82.690   35.908   70.269   33.733   72.376   19.451 -2.106346 38.93892 
1 1 1   -3  -18    1 o  401.715   15.797  2026.75  158.466  2014.55  194.928  2050.52  272.122  399.888   19.520  400.852   27.348 -0.9637146 33.60005 
1 1 1   -3  -18    2 o  379.242   14.253  1805.22  134.980  1927.00  166.572  1572.32  230.355  391.386   17.043  350.748   26.495 40.63739 31.50340 
1 1 1   -3  -18    3 o  229.042   10.529  657.097   60.220  723.284   75.897  544.610   98.944  239.793   12.720  206.859   19.380 32.93378 23.18161 
1 1 1   -3  -18    4 o  224.484   11.096  631.688   62.200  650.426   78.360  599.772  102.266  227.120   13.883  217.106   19.056 10.01462 23.57650 
1 1 1   -3  -18    5 o  173.448   10.611  378.551   45.738  374.138   58.559  385.454   73.244  171.978   13.750  173.978   17.079 -1.999649 21.92638 
1 1 1   -3  -18    6 o  105.171   10.940  140.258   28.311  118.978   38.500  165.316   41.777   95.725   16.714  113.568   15.106 -17.84270 22.52874 
1 1 1   -3  -18    7 o   52.028   12.954   35.398   16.766   48.568   27.299   27.421   21.245   61.110   17.175   47.520   15.543 13.59088 23.16411 
1 1 1   -3  -18    8 o  199.681   19.104  511.827   94.097  511.827   94.097   0.0000   0.0000  199.681   19.104  ?   ?  0.000000 19.10382 
1 1 1   -3  -18    9 o  128.084   11.173  207.904   35.380  180.801   47.228  242.565   53.409  118.306   16.430  137.480   15.847 -19.17417 22.82680 
1 1 1   -3  -18   10 o  153.764   10.500  298.746   40.078  309.573   53.395  284.776   60.654  155.865   13.863  148.779   16.609 7.086349 21.63433 
1 1 1   -3  -18   11 o  101.477   11.249  131.320   28.026  136.896   40.057  125.973   39.225  102.550   16.178   98.184   16.589 4.365982 23.17209 
1 1 1   -3  -18   12 o  182.702   11.110  422.370   50.447  425.941   65.711  417.244   78.725  182.626   14.529  179.755   17.771 2.871887 22.95404 
1 1 1   -3  -18   13 o  144.862   13.507  268.239   48.299  346.656   93.621  239.798   56.382  161.270   23.977  135.967   16.975 25.30222 29.37776 
1 1 1   -3  -18   14 f  538.524   19.659  3745.40  264.374  3904.90  326.188  3440.00  451.344  545.510   23.945  495.100   36.769 50.40994 43.87814 
1 1 1   -3  -18   15 o  175.477   11.783  391.120   51.335  380.119   68.794  404.943   77.114  171.678   16.240  176.721   17.713 -5.042999 24.03047 
1 1 1   -3  -18   16 o  239.295   12.470  727.627   74.258  729.190   95.847  725.279  117.446  238.136   16.214  235.659   20.151 2.476837 25.86447 
1 1 1   -3  -18   17 o  316.932   25.313  1342.46  198.667  1342.46  198.667   0.0000   0.0000  316.932   25.313  ?   ?  0.000000 25.31320 
1 1 1   -3  -18   18 o  128.671   12.579  212.120   39.900  194.971   59.062  226.518   54.117  120.893   20.282  131.735   16.835 -10.84278 26.35924 
1 1 1   -3  -18   19 o   69.108   15.548   63.586   26.183   46.284   48.227   70.817   31.177   63.859   23.284   72.664   17.410 -8.804585 29.07352 
1 1 1   -3  -18   20 o  259.925   13.160  863.714   85.141  896.066  111.836  819.113  131.310  262.652   17.145  248.434   21.374 14.21877 27.40065 
1 1 1   -3  -18   21 o   57.956   17.744   44.107   28.091 -38.9100  125.625   48.476   28.820   70.754   32.237   60.408   17.859 10.34536 36.85344 
1 1 1   -3  -18   22 o  105.259   13.549  144.491   34.786  201.289   61.334  117.559   42.236  121.391   20.993   92.977   18.836 28.41359 28.20479 
1 1 1   -3  -18   23 o  114.953   13.336  172.580   37.572  219.564   64.839  148.829   46.101  125.946   21.380  104.647   18.308 21.29863 28.14782 
1 1 1   -3  -18   24 o  113.097   14.232  169.276   39.305  172.930   68.031  167.445   48.155  108.111   25.596  110.660   18.048 -2.549789 31.31894 
1 1 1   -3  -18   25 o   63.447   26.682   33.262   71.785   33.262   71.785   0.0000   0.0000   63.447   26.682  ?   ?  0.000000 26.68200 
1 1 1   -3  -18   26 o   76.504   15.939   81.535   29.462  148.905   63.959   63.389   33.194   97.164   25.892   66.329   19.041 30.83543 32.13983 
1 1 1   -3  -18   27 o  138.225   14.243  259.265   48.458  252.550   80.488  263.082   60.689  124.953   26.610  135.835   18.362 -10.88200 32.33071 
1 1 1   -3  -18   28 o  111.128   17.901  178.504   47.990  104.508  161.426  185.678   50.263   78.091   35.938  112.898   18.467 -34.80756 40.40534 
1 1 1   -3  -18   29 o   71.323   18.602   76.978   33.475  167.474  172.641   73.442   34.123   81.439   37.363   69.356   19.097 12.08251 41.96048 
1 1 1   -3  -18   30 o  165.334   18.312  407.720   74.335  395.516  195.508  409.782   80.370   98.505   42.777  163.058   20.168 -64.55371 47.29259 
1 1 1   -3  -17    1 o  634.312   23.121  5076.51  366.229  5032.79  449.007  5163.42  633.007  629.859   28.547  631.889   40.326 -2.030151 49.40782 
1 1 1   -3  -17    2 o  210.893   10.619  558.037   55.744  579.083   69.949  521.409   92.279  214.572   13.117  202.812   18.421 11.76013 22.61442 
1 1 1   -3  -17    3 o  275.539   12.137  951.150   83.515  971.951  103.617  912.582  141.091  277.893   14.987  268.154   21.244 9.739014 25.99820 
1 1 1   -3  -17    4 o  195.312   9.5617  477.404   46.635  559.362   59.614  348.140   74.867  211.010   11.355  165.268   18.456 45.74278 21.66923 
1 1 1   -3  -17    5 o  407.327   17.698  2090.13  180.021  2493.48  259.767  1717.42  249.708  442.783   23.578  365.970   27.525 76.81226 36.24306 
1 1 1   -3  -17    6 o  391.831   15.351  1931.58  150.210  1952.74  185.229  1890.93  256.712  393.216   18.864  383.803   26.956 9.412262 32.90057 
1 1 1   -3  -17    7 o  179.937   11.146  407.643   49.836  373.292   63.538  462.562   80.339  171.564   14.981  190.724   17.048 -19.15982 22.69499 
1 1 1   -3  -17    8 o  283.986   12.721  1013.82   90.213  1016.16  112.297  1009.56  151.489  283.336   15.936  280.772   21.776 2.563263 26.98469 
1 1 1   -3  -17    9 o  342.710   16.203  1485.10  138.666  1485.10  138.666   0.0000   0.0000  342.710   16.203  ?   ?  0.000000 16.20291 
1 1 1   -3  -17   10 o  353.996   14.115  1581.92  124.774  1643.14  154.942  1468.97  210.458  359.815   17.244  336.269   25.247 23.54565 30.57390 
1 1 1   -3  -17   11 o   96.138   11.287  117.877   26.582  124.820   38.208  111.364   37.006   97.952   16.185   92.292   16.670 5.660164 23.23483 
1 1 1   -3  -17   12 o  280.596   11.220  991.693   78.618  1147.24   99.765  736.833  127.702  301.281   13.260  238.158   21.711 63.12340 25.44024 
1 1 1   -3  -17   13 o  158.563   9.9051  317.461   39.024  394.132   53.377  229.425   57.197  176.270   12.201  132.910   17.671 43.35989 21.47415 
1 1 1   -3  -17   14 o  213.344   14.739  580.874   78.040  578.478  125.591  582.381   99.604  209.009   24.529  212.122   19.005 -3.112457 31.03006 
1 1 1   -3  -17   15 o  298.016   12.522  1123.78   93.186  1200.63  117.896  995.849  152.117  306.618   15.447  275.843   22.273 30.77469 27.10567 
1 1 1   -3  -17   16 o  299.107   12.218  1132.03   91.261  1266.74  116.264  915.794  147.299  315.447   14.759  264.029   22.557 51.41815 26.95681 
1 1 1   -3  -17   17 o  376.507   14.083  1802.82  132.410  2002.10  166.484  1459.76  218.433  395.208   16.869  330.208   26.719 65.00055 31.59862 
1 1 1   -3  -17   18 o  344.858   26.784  1596.49  228.849  1596.49  228.849   0.0000   0.0000  344.858   26.784  ?   ?  0.000000 26.78415 
1 1 1   -3  -17   19 o  166.174   11.855  351.479   48.872  367.118   68.671  335.430   69.568  168.368   16.547  160.471   17.652 7.896332 24.19493 
1 1 1   -3  -17   20 o  170.015   11.862  368.189   50.045  416.472   72.038  323.151   69.575  179.372   16.259  157.164   18.055 22.20839 24.29747 
1 1 1   -3  -17   21 o  223.872   12.399  639.051   69.047  699.084   94.306  569.683  101.372  232.436   16.352  208.028   19.751 24.40759 25.64104 
1 1 1   -3  -17   22 o  281.467   15.513  1023.48  108.619  1457.96  190.077  812.810  132.359  329.473   23.252  246.791   21.697 82.68198 31.80280 
1 1 1   -3  -17   23 o  299.888   13.637  1154.76  102.125  1245.05  133.983  1029.56  157.768  308.251   17.478  275.373   23.158 32.87820 29.01299 
1 1 1   -3  -17   24 o  136.241   17.575  248.037   58.399   0.0000   0.0000  248.037   58.399  ?   ?   136.241   17.575 0.000000 17.57470 
1 1 1   -3  -17   25 o  170.084   20.737  399.125   86.254  399.125   86.254   0.0000   0.0000  170.084   20.737  ?   ?  0.000000 20.73713 
1 1 1   -3  -17   26 o  215.727   25.220  682.701  133.299  682.701  133.299   0.0000   0.0000  215.727   25.220  ?   ?  0.000000 25.22018 
1 1 1   -3  -17   27 o   33.597   13.966   5.2715   19.329   57.394   59.651  -0.8432   20.431   66.107   25.510   31.901   13.841 34.20580 29.02317 
1 1 1   -3  -17   28 o  136.409   13.728  250.580   46.129  324.188   81.376  215.730   55.994  146.567   22.990  122.678   18.883 23.88964 29.75097 
1 1 1   -3  -17   29 o   90.904   17.881  119.897   39.144  220.369  168.178  114.143   40.250   92.487   39.918   87.939   18.892 4.547638 44.16303 
1 1 1   -3  -17   30 o   60.524   18.471   54.687   30.469   40.282  170.802   55.161   30.966   71.080   34.000   60.725   18.637 10.35489 38.77262 
1 1 1   -3  -17   31 o   41.808   16.469   18.976   25.280 -164.6999  178.862   22.720   25.536   57.880   28.997   43.573   16.723 14.30634 33.47414 
1 1 1   -3  -17   32 o   34.917   14.885   5.8742   22.855   74.788  189.780   4.8600   23.022   67.725   33.183   34.633   14.856 33.09225 36.35685 
1 1 1   -3  -16    1 o   70.368   17.453   64.605   30.520   64.605   30.520   0.0000   0.0000   70.368   17.453  ?   ?  0.000000 17.45336 
1 1 1   -3  -16    2 o  445.453   16.257  2489.48  180.835  2621.27  222.382  2232.21  310.700  456.612   19.503  418.405   29.935 38.20740 35.72738 
1 1 1   -3  -16    3 o  251.867   11.381  794.049   71.583  829.025   89.092  730.341  120.241  256.820   13.944  240.074   20.245 16.74629 24.58279 
1 1 1   -3  -16    4 f  693.842   24.800  6087.69  429.698  6283.08  527.051  5700.35  742.066  702.827   30.030  660.422   45.269 42.40497 54.32368 
1 1 1   -3  -16    5 o  289.711   11.953  1051.40   86.478  1136.39  107.467  895.255  145.661  300.983   14.298  265.388   22.182 35.59494 26.39129 
1 1 1   -3  -16    6 o  512.244   22.250  3317.89  284.609  3730.20  406.338  2920.80  398.765  539.473   30.285  475.642   33.793 63.83173 45.37752 
1 1 1   -3  -16    7 o  419.524   16.421  2214.83  172.033  2214.75  211.762  2215.00  295.021  418.664   20.255  415.334   28.620 3.330017 35.06205 
1 1 1   -3  -16    8 o  467.052   17.137  2750.33  199.870  2892.28  246.102  2475.31  342.558  477.915   20.621  437.003   31.604 40.91223 37.73630 
1 1 1   -3  -16    9 o  438.185   16.989  2423.99  185.900  2450.26  228.912  2373.10  318.589  439.329   20.865  427.668   30.022 11.66089 36.56043 
1 1 1   -3  -16   10 o  386.562   14.956  1884.29  144.373  1965.96  178.488  1729.72  245.538  393.940   18.144  365.391   27.103 28.54852 32.61541 
1 1 1   -3  -16   11 o  120.547   18.775  188.846   54.677  188.846   54.677   0.0000   0.0000  120.547   18.775  ?   ?  0.000000 18.77483 
1 1 1   -3  -16   12 o  226.993   11.329  648.197   64.218  672.342   81.726  609.229  103.826  230.249   14.284  217.727   19.296 12.52209 24.00788 
1 1 1   -3  -16   13 o  183.035   10.985  423.107   49.976  430.528   65.328  412.637   77.599  183.912   14.338  179.169   17.570 4.742935 22.67749 
1 1 1   -3  -16   14 o  117.660   10.952  175.821   31.810  190.351   45.401  161.811   44.582  121.538   15.298  111.617   16.491 9.921188 22.49410 
1 1 1   -3  -16   15 o  241.040   13.332  737.593   79.936  1045.98  132.173  559.745  100.373  285.040   18.672  207.825   19.571 77.21506 27.04952 
1 1 1   -3  -16   16 o   91.756   12.134  108.173   27.120  127.002   42.198   94.923   35.398   98.154   17.875   84.693   17.321 13.46028 24.89046 
1 1 1   -3  -16   17 o  232.387   11.998  684.450   69.387  701.354   90.032  659.724  108.891  234.102   15.488  225.402   19.539 8.700699 24.93307 
1 1 1   -3  -16   18 o  454.114   17.049  2642.59  193.339  2760.39  240.167  2425.67  325.898  461.203   20.853  421.760   31.164 39.44254 37.49721 
1 1 1   -3  -16   19 o  136.951   17.636  244.637   58.911  244.637   58.911   0.0000   0.0000  136.951   17.636  ?   ?  0.000000 17.63574 
1 1 1   -3  -16   20 o  262.075   13.194  874.535   86.073  884.047  111.962  860.789  134.588  261.729   17.227  256.111   21.236 5.617950 27.34418 
1 1 1   -3  -16   21 o   99.872   13.521  129.117   32.855  136.017   54.627  125.206   41.125   99.933   22.439   97.192   17.592 2.741371 28.51329 
1 1 1   -3  -16   22 o  188.046   12.543  451.354   58.560  466.044   82.753  436.619   82.881  189.081   17.733  182.665   18.421 6.416107 25.56967 
1 1 1   -3  -16   23 o  115.515   13.201  172.360   37.396  207.108   63.686  154.074   46.200  123.763   21.380  107.676   17.804 16.08736 27.82217 
1 1 1   -3  -16   24 f   91.941   17.364  113.385   38.406   68.027  141.610  116.986   39.901   88.968   37.448   93.285   17.778 -4.317177 41.45387 
1 1 1   -3  -16   25 o   31.444   13.422   0.4725   18.623   70.014   55.450  -8.3690   19.772   72.666   25.119   29.111   13.071 43.55528 28.31596 
1 1 1   -3  -16   26 o  154.971   13.693  313.846   52.447  286.394   80.613  333.995   69.061  142.110   23.540  157.522   17.873 -15.41203 29.55629 
1 1 1   -3  -16   27 o  161.300   26.271  386.638  102.175  386.638  102.175   0.0000   0.0000  161.300   26.271  ?   ?  0.000000 26.27083 
1 1 1   -3  -16   28 o   87.842   15.842  106.218   33.473  131.969   68.789   98.229   38.315   90.754   27.765   82.867   18.930 7.886993 33.60413 
1 1 1   -3  -16   29 o  170.430   13.582  388.808   57.324  455.694   92.243  346.725   73.168  176.345   21.384  155.858   19.205 20.48682 28.74271 
1 1 1   -3  -16   30 o  106.861   15.479  158.892   40.104  160.221   78.948  158.430   46.558   94.185   29.889  104.506   18.518 -10.32115 35.16047 
1 1 1   -3  -16   31 o  119.882   16.814  205.248   48.950  583.289  189.391  178.186   50.672  143.695   46.367  109.562   19.222 34.13274 50.19305 
1 1 1   -3  -16   32 o   78.978   19.005   95.558   37.029  132.630  187.624   94.055   37.771   76.178   36.213   77.985   19.459 -1.806252 41.10947 
1 1 1   -3  -16   33 o  116.099   18.173  204.161   50.960  383.798  205.244  192.359   52.607   90.713   41.282  111.001   19.700 -20.28781 45.74195 
1 1 1   -3  -15    1 o  356.459   17.293  1594.20  153.936  1713.21  218.374  1476.66  217.030  367.964   23.895  341.144   25.664 26.81958 35.06570 
1 1 1   -3  -15    2 o  361.446   17.609  1639.61  158.941  1714.05  225.397  1565.98  224.161  367.851   24.680  351.309   25.731 16.54269 35.65368 
1 1 1   -3  -15    3 o  137.779   16.928  241.720   57.016  241.720   57.016   0.0000   0.0000  137.779   16.928  ?   ?  0.000000 16.92752 
1 1 1   -3  -15    4 o  629.717   27.608  5019.26  434.148  5459.59  615.198  4582.41  612.766  651.821   37.959  595.336   41.477 56.48480 56.22481 
1 1 1   -3  -15    5 o  515.141   22.448  3345.49  288.775  3844.06  409.991  2854.64  406.805  549.353   30.000  471.501   34.796 77.85211 45.94308 
1 1 1   -3  -15    6 o  302.107   15.419  1148.18  115.938  1258.53  165.268  1041.27  162.685  315.328   21.110  286.319   22.946 29.00867 31.17955 
1 1 1   -3  -15    7 o  193.903   13.568  473.744   65.283  343.141   93.633  597.287   91.068  163.083   23.684  217.347   16.912 -54.26384 29.10240 
1 1 1   -3  -15    8 o  355.822   25.331  1615.58  223.614   0.0000   0.0000  1615.58  223.614  ?   ?   355.822   25.331 0.000000 25.33148 
1 1 1   -3  -15    9 o  502.518   22.488  3201.84  282.202  3539.71  400.779  2869.59  397.429  524.078   30.758  470.004   34.093 54.07428 45.91787 
1 1 1   -3  -15   10 o  250.938   14.118  794.239   88.111  845.138  126.552  746.353  122.749  257.650   19.821  241.863   20.517 15.78683 28.52773 
1 1 1   -3  -15   11 o  463.888   21.525  2738.08  249.343  2881.46  354.122  2597.10  351.146  470.728   30.286  445.937   31.740 24.79037 43.87118 
1 1 1   -3  -15   12 o  127.218   18.830  209.703   58.015  209.703   58.015   0.0000   0.0000  127.218   18.830  ?   ?  0.000000 18.83048 
1 1 1   -3  -15   13 o  120.647   12.090  184.999   35.933  202.522   54.638  171.643   47.701  125.027   18.021  115.127   17.112 9.899712 24.85109 
1 1 1   -3  -15   14 o  280.589   15.413  1000.55  107.583  1019.02  154.055  982.967  150.306  280.590   22.167  275.617   22.022 4.973663 31.24648 
1 1 1   -3  -15   15 o  215.163   11.216  584.632   60.053  628.818   77.661  518.919   94.708  222.469   14.051  200.482   19.150 21.98703 23.75240 
1 1 1   -3  -15   16 o  271.073   11.820  927.070   80.014  986.588  101.577  829.754  129.886  278.499   14.657  252.980   20.743 25.51898 25.39867 
1 1 1   -3  -15   17 o  138.859   13.791  246.684   47.190  310.529   95.571  226.099   54.267  151.806   26.155  132.094   16.834 19.71191 31.10381 
1 1 1   -3  -15   18 o  182.368   11.686  421.673   52.938  418.423   71.156  425.703   79.222  180.486   15.952  181.482   17.706 -0.9962311 23.83225 
1 1 1   -3  -15   19 o  286.461   12.125  1037.80   86.737  1160.55  112.042  854.225  137.022  301.965   14.858  255.547   21.676 46.41821 26.27983 
1 1 1   -3  -15   20 o   81.538   13.322   86.438   26.189  141.993   46.006   59.807   31.853  103.620   18.456   67.100   18.440 36.52020 26.08993 
1 1 1   -3  -15   21 o   95.862   24.498  125.834   58.864  125.834   58.864   0.0000   0.0000   95.862   24.498  ?   ?  0.000000 24.49788 
1 1 1   -3  -15   22 o  223.458   12.405  635.174   68.947  681.198   94.035  581.668  101.392  229.842   16.493  210.978   19.464 18.86328 25.51247 
1 1 1   -3  -15   23 o  296.628   23.410  1171.17  172.000   0.0000   0.0000  1171.17  172.000  ?   ?   296.628   23.410 0.000000 23.41041 
1 1 1   -3  -15   24 o  101.955   24.596  144.503   61.901  144.503   61.901   0.0000   0.0000  101.955   24.596  ?   ?  0.000000 24.59646 
1 1 1   -3  -15   25 o  325.748   17.924  1389.19  145.246  1617.46  236.539  1251.02  184.025  340.519   28.067  303.059   24.527 37.46082 37.27358 
1 1 1   -3  -15   26 o   54.178   16.874   38.500   25.278 -22.6418   59.043   52.222   27.971   49.278   22.314   62.133   17.358 -12.85568 28.27046 
1 1 1   -3  -15   27 o  229.949   14.105  689.492   80.602  656.606  111.084  726.057  117.132  219.294   20.524  230.642   20.552 -11.34775 29.04513 
1 1 1   -3  -15   28 o  150.703   14.287  300.204   53.125  252.844   83.396  332.546   68.917  129.809   26.621  156.244   17.992 -26.43546 32.13041 
1 1 1   -3  -15   29 o   34.172   14.206   5.4035   20.000   47.754   65.510   1.0505   21.002   64.865   26.189   33.095   14.193 31.77066 29.78724 
1 1 1   -3  -15   30 o   71.843   17.224   73.630   30.499   98.873   74.780   68.593   33.403   78.311   28.924   68.678   18.888 9.633102 34.54520 
1 1 1   -3  -15   31 o  121.938   14.695  203.868   43.844  264.695   85.909  182.444   50.984  125.691   28.079  112.184   18.869 13.50780 33.82970 
1 1 1   -3  -15   32 o  133.089   17.705  254.917   57.381  255.513  191.998  254.858   60.130   92.451   41.176  132.048   18.763 -39.59659 45.24917 
1 1 1   -3  -15   33 o   55.312   18.408   45.159   29.751 -31.6528  190.340   47.083   30.121   66.286   32.628   56.282   18.512 10.00357 37.51352 
1 1 1   -3  -15   34 o  132.122   18.070  262.440   58.055  411.648  209.118  249.980   60.431   93.702   42.251  127.010   19.691 -33.30744 46.61447 
1 1 1   -3  -14    1 f  419.432   19.874  2210.42  208.155  2174.26  294.670  2246.43  294.083  413.630   28.706  420.604   28.162 -6.974335 40.21337 
1 1 1   -3  -14    2 o  134.509   11.173  227.908   37.190  246.339   53.440  210.598   51.788  139.327   15.629  128.551   16.515 10.77588 22.73760 
1 1 1   -3  -14    3 o  338.590   16.787  1437.93  141.939  1504.28  201.389  1372.43  200.080  344.784   23.531  329.062   24.525 15.72171 33.98778 
1 1 1   -3  -14    4 o  280.143   21.638  993.209  150.196  993.209  150.196   0.0000   0.0000  280.143   21.638  ?   ?  0.000000 21.63751 
1 1 1   -3  -14    5 o  200.084   13.156  503.486   65.365  427.349   93.223  577.116   91.676  183.184   20.745  213.751   17.324 -30.56705 27.02714 
1 1 1   -3  -14    6 o  163.168   11.988  335.073   48.503  344.506   70.139  326.429   67.145  164.770   17.305  160.382   17.026 4.387665 24.27619 
1 1 1   -3  -14    7 o  228.005   13.604  653.741   77.104  659.661  110.426  648.109  107.708  228.181   19.569  226.213   19.250 1.967773 27.44986 
1 1 1   -3  -14    8 o  583.133   25.541  4305.60  371.926  4767.81  527.616  3849.08  524.364  609.094   34.833  545.201   38.767 63.89319 52.11748 
1 1 1   -3  -14    9 o  492.003   32.824  3115.23  400.967   0.0000   0.0000  3115.23  400.967  ?   ?   492.003   32.824 0.000000 32.82394 
1 1 1   -3  -14   10 o  240.431   14.139  728.352   84.517  715.928  121.190  740.115  117.927  237.149   20.671  241.352   19.739 -4.203049 28.58178 
1 1 1   -3  -14   11 o   86.836   13.611   96.968   28.545   41.442   44.750  135.059   37.064   62.304   22.473  102.583   14.905 -40.27831 26.96652 
1 1 1   -3  -14   12 o  290.472   14.415  1061.92  104.558  1270.03  150.382  867.183  145.475  316.152   19.138  260.061   22.626 56.09073 29.63465 
1 1 1   -3  -14   13 o  188.913   19.027  457.215   88.540  457.215   88.540   0.0000   0.0000  188.913   19.027  ?   ?  0.000000 19.02732 
1 1 1   -3  -14   14 o  136.122   11.779  234.742   39.644  273.699   60.040  204.629   52.787  146.068   16.764  125.927   17.239 20.14104 24.04613 
1 1 1   -3  -14   15 o  404.199   18.709  2082.79  188.845  2356.57  269.664  1819.31  264.543  425.540   25.494  371.675   28.725 53.86566 38.40694 
1 1 1   -3  -14   16 o  176.827   12.073  395.991   52.993  480.801   79.116  326.978   71.368  193.811   16.504  159.079   18.299 34.73219 24.64206 
1 1 1   -3  -14   17 o  431.522   20.228  2393.94  217.979  2599.95  310.884  2194.73  305.718  442.948   28.253  404.954   30.455 37.99368 41.54191 
1 1 1   -3  -14   18 o  101.279   15.679  133.375   38.372  206.165  100.599  120.981   41.511  121.462   32.520   95.780   18.017 25.68198 37.17711 
1 1 1   -3  -14   19 o  256.893   12.366  834.251   79.331  864.724  101.783  787.088  126.623  260.107   15.744  245.993   20.808 14.11450 26.09318 
1 1 1   -3  -14   20 o  202.964   12.006  522.406   60.582  527.231   80.752  516.195   91.625  202.674   16.088  199.625   18.594 3.049652 24.58758 
1 1 1   -3  -14   21 o   97.802   12.748  123.099   30.394  168.898   51.730   98.953   37.561  113.117   18.986   86.278   18.015 26.83975 26.17278 
1 1 1   -3  -14   22 o   98.357   25.338  132.710   62.615  132.710   62.615   0.0000   0.0000   98.357   25.338  ?   ?  0.000000 25.33751 
1 1 1   -3  -14   23 o  381.785   15.402  1863.02  146.836  1977.18  186.661  1677.68  237.829  390.870   19.124  352.954   27.193 37.91586 33.24401 
1 1 1   -3  -14   24 o  321.721   13.844  1319.04  111.225  1431.27  144.219  1154.29  174.727  332.767   17.416  294.272   23.986 38.49454 29.64175 
1 1 1   -3  -14   25 o  267.355   13.244  911.314   88.420  974.135  118.172  831.409  133.276  273.902   17.367  250.393   21.524 23.50888 27.65654 
1 1 1   -3  -14   26 o   98.576   16.803  129.177   39.879  156.897  144.617  126.896   41.487  105.671   39.977   97.374   17.714 8.296913 43.72594 
1 1 1   -3  -14   27 o   69.556   16.531   65.534   28.290   67.035   61.567   65.132   31.852   72.807   26.344   69.083   18.207 3.724480 32.02376 
1 1 1   -3  -14   28 o  203.556   13.578  538.734   68.623  538.940   98.745  538.542   95.435  198.982   20.150  199.500   19.402 -0.5175781 27.97253 
1 1 1   -3  -14   29 o  102.110   14.824  139.517   36.695  155.769   70.920  133.575   42.881  100.851   27.433   98.320   18.133 2.530968 32.88409 
1 1 1   -3  -14   30 o   61.015   26.341   22.231   73.269   22.231   73.269   0.0000   0.0000   61.015   26.341  ?   ?  0.000000 26.34127 
1 1 1   -3  -14   31 f  201.507   13.470  540.777   67.391  675.797  105.644  448.134   87.509  218.028   19.613  176.712   20.193 41.31676 28.15055 
1 1 1   -3  -14   32 o   68.780   28.231   65.682   77.637   65.682   77.637   0.0000   0.0000   68.780   28.231  ?   ?  0.000000 28.23091 
1 1 1   -3  -14   33 o  109.467   17.999  173.590   47.491  153.930  183.359  175.004   49.169   83.115   38.270  109.363   18.674 -26.24792 42.58282 
1 1 1   -3  -14   34 o   88.506   18.394  117.200   39.326  225.351  194.783  112.605   40.153   85.013   39.251   86.086   19.170 -1.072906 43.68186 
1 1 1   -3  -14   35 o   60.996   18.498   57.698   30.628  179.504  209.025   55.026   30.962   75.780   36.595   59.565   18.695 16.21490 41.09383 
1 1 1   -3  -13    1 o  1062.90   46.480 14613.46  1233.70 15255.98  1746.10 13972.98  1743.32  1065.87   65.926  1016.44   69.093 49.42859 95.49852 
1 1 1   -3  -13    2 f  156.758   11.913  309.288   46.286  249.294   65.834  367.932   65.089  139.562   19.416  170.642   15.442 -31.08057 24.80786 
1 1 1   -3  -13    3 o  146.458   11.388  269.989   41.323  285.548   59.234  255.239   57.675  150.074   16.055  141.708   16.613 8.365921 23.10337 
1 1 1   -3  -13    4 o  396.263   19.056  1971.86  188.566  1927.84  267.070  2015.61  266.275  389.651   27.626  398.632   26.907 -8.980927 38.56393 
1 1 1   -3  -13    5 o  175.970   17.646  392.395   76.497  392.395   76.497   0.0000   0.0000  175.970   17.646  ?   ?  0.000000 17.64588 
1 1 1   -3  -13    6 o  164.385   11.491  339.776   46.875  406.001   67.634  278.563   65.024  179.340   15.247  147.902   17.975 31.43849 23.57044 
1 1 1   -3  -13    7 o  284.824   15.177  1019.79  107.560  1054.17  153.043  986.247  151.199  288.655   21.384  279.064   21.872 9.590820 30.58821 
1 1 1   -3  -13    8 o  869.940   37.984  9701.09  825.163 10219.42  1168.37  9185.26  1165.55  880.448   53.393  831.997   56.433 48.45093 77.68836 
1 1 1   -3  -13    9 o  195.466   12.780  480.656   62.040  492.980   89.469  469.242   86.103  197.189   18.381  192.382   18.137 4.807541 25.82265 
1 1 1   -3  -13   10 o  538.420   35.487  3739.02  474.457   0.0000   0.0000  3739.02  474.457  ?   ?   538.420   35.487 0.000000 35.48683 
1 1 1   -3  -13   11 o  163.902   12.312  338.654   50.024  344.276   73.511  333.805   68.269  164.344   18.219  161.990   17.137 2.354965 25.01170 
1 1 1   -3  -13   12 o  593.103   26.975  4491.63  399.516  4448.25  565.913  4534.73  564.094  582.019   39.165  588.062   38.628 -6.042603 55.00896 
1 1 1   -3  -13   13 o  165.179   11.802  344.121   48.362  413.443   71.844  286.678   65.399  180.417   16.116  149.633   17.855 30.78401 24.05245 
1 1 1   -3  -13   14 o   86.230   12.908   95.527   26.940   91.726   42.837   98.014   34.650   83.333   20.682   86.680   16.612 -3.347107 26.52799 
1 1 1   -3  -13   15 o  368.317   26.796  1763.14  244.769  1763.14  244.769   0.0000   0.0000  368.317   26.796  ?   ?  0.000000 26.79604 
1 1 1   -3  -13   16 o  133.612   12.233  226.660   40.364  229.841   61.139  224.201   53.742  133.059   18.934  131.949   16.683 1.110306 25.23538 
1 1 1   -3  -13   17 o  428.963   21.071  2363.58  225.714  2222.66  320.789  2501.76  317.650  407.821   31.749  434.764   29.431 -26.94357 43.29237 
1 1 1   -3  -13   18 o  186.570   13.044  441.877   60.392  449.089   89.449  435.836   81.867  186.236   19.524  183.913   18.059 2.323380 26.59514 
1 1 1   -3  -13   19 o  229.304   19.739  680.191  111.925   0.0000   0.0000  680.191  111.925  ?   ?   229.304   19.739 0.000000 19.73868 
1 1 1   -3  -13   20 o  140.715   13.047  252.610   45.324  229.948   70.748  268.385   59.027  131.522   22.340  144.129   16.710 -12.60742 27.89833 
1 1 1   -3  -13   21 o   95.658   14.004  118.427   32.460  143.176   55.727  105.718   39.935  103.156   22.284   89.204   18.533 13.95156 28.98359 
1 1 1   -3  -13   22 o  108.548   17.141  154.219   44.920   0.0000   0.0000  154.219   44.920  ?   ?   108.548   17.141 0.000000 17.14069 
1 1 1   -3  -13   23 o  267.786   23.533  946.518  155.770  946.518  155.770   0.0000   0.0000  267.786   23.533  ?   ?  0.000000 23.53280 
1 1 1   -3  -13   24 o  270.589   12.696  928.510   85.787  1033.99  114.140  791.560  130.055  283.763   16.175  245.565   21.423 38.19823 26.84326 
1 1 1   -3  -13   25 o  106.449   13.428  146.298   34.900  182.334   60.815  128.602   42.615  116.355   21.729   98.427   18.001 17.92797 28.21728 
1 1 1   -3  -13   26 o   61.923   16.500   51.138   25.975   64.464   56.614   47.585   29.233   72.181   25.356   60.160   18.033 12.02060 31.11504 
1 1 1   -3  -13   27 o  117.813   15.740  181.986   45.151  388.723  151.523  161.841   47.299  158.364   38.654  110.274   17.781 48.08967 42.54753 
1 1 1   -3  -13   28 o   95.433   14.832  120.289   34.199  145.619   67.938  111.692   39.579  100.417   26.650   90.756   18.099 9.661598 32.21491 
1 1 1   -3  -13   29 o  105.632   14.947  147.981   38.328  129.643   71.783  155.294   45.331   93.283   28.326  107.131   17.553 -13.84751 33.32317 
1 1 1   -3  -13   30 f   29.564   12.927  -2.7122   18.117 -37.0888   64.412   0.2411   18.879   48.236   22.376   31.357   13.452 16.87887 26.10843 
1 1 1   -3  -13   31 f  210.779   27.429  680.278  140.952  680.278  140.952   0.0000   0.0000  210.779   27.429  ?   ?  0.000000 27.42865 
1 1 1   -3  -13   32 o  119.467   16.222  196.678   47.143   86.669   87.487  241.691   55.963   76.096   30.425  131.673   17.449 -55.57773 35.07382 
1 1 1   -3  -13   33 o   78.701   16.168   87.497   30.713  165.460   77.110   72.796   33.484   97.454   29.305   70.432   18.718 27.02224 34.77299 
1 1 1   -3  -13   34 o   79.447   18.380   93.145   35.740  142.256  191.072   91.365   36.382   82.474   38.354   78.380   18.824 4.094200 42.72411 
1 1 1   -3  -13   35 o   90.450   18.158  121.561   39.588  307.375  204.913  114.356   40.348   92.380   41.724   86.903   19.113 5.477264 45.89329 
1 1 1   -3  -13   36 o  101.362   18.548  156.205   45.217  291.141  220.706  150.293   46.197   83.006   39.405   98.485   19.474 -15.47881 43.95444 
1 1 1   -3  -12    1 o  374.961   18.238  1766.38  170.770  1735.22  241.735  1797.43  241.277  369.495   26.372  376.220   25.838 -6.724792 36.92016 
1 1 1   -3  -12    2 o  487.869   32.306  3038.61  391.353   0.0000   0.0000  3038.61  391.353  ?   ?   487.869   32.306 0.000000 32.30576 
1 1 1   -3  -12    3 o  376.866   18.315  1783.26  172.360  1752.40  244.043  1813.97  243.466  371.562   26.475  378.185   25.937 -6.622528 37.06253 
1 1 1   -3  -12    4 f  320.164   16.417  1288.73  130.810  1269.32  185.376  1307.97  184.612  316.573   23.619  321.471   23.152 -4.897705 33.07390 
1 1 1   -3  -12    5 o  347.693   17.100  1516.37  148.469  1588.97  210.605  1444.65  209.333  354.356   23.941  337.594   25.009 16.76147 34.62064 
1 1 1   -3  -12    6 o  484.474   22.058  2952.98  266.867  3153.20  378.160  2754.34  376.658  498.009   30.556  464.720   32.664 33.28873 44.72823 
1 1 1   -3  -12    7 o  553.654   36.142  3922.63  496.944  3922.63  496.944   0.0000   0.0000  553.654   36.142  ?   ?  0.000000 36.14155 
1 1 1   -3  -12    8 o  667.656   29.639  5646.98  494.155  5701.94  699.450  5592.20  698.232  664.714   42.358  658.080   42.719 6.634033 60.15964 
1 1 1   -3  -12    9 o  233.614   13.500  685.881   78.418  738.953  112.356  635.474  109.498  241.811   18.753  223.972   19.781 17.83945 27.25764 
1 1 1   -3  -12   10 o  540.164   24.629  3685.80  332.211  3643.74  470.585  3727.59  469.054  532.631   35.585  538.976   35.040 -6.344971 49.94110 
1 1 1   -3  -12   11 o  325.600   16.187  1331.26  131.612  1442.41  187.999  1224.44  184.311  337.316   22.447  310.325   23.970 26.99170 32.83913 
1 1 1   -3  -12   12 f  315.776   23.304  1268.75  182.465   0.0000   0.0000  1268.75  182.465  ?   ?   315.776   23.304 0.000000 23.30398 
1 1 1   -3  -12   13 o  448.744   21.028  2547.32  235.636  2610.63  334.639  2485.06  331.858  450.397   29.923  439.155   30.449 11.24194 42.69127 
1 1 1   -3  -12   14 o   52.890   14.394   36.321   19.519   33.463   34.611   37.653   23.636   55.490   19.791   54.344   16.198 1.145927 25.57512 
1 1 1   -3  -12   15 o  294.059   15.720  1093.68  115.020  1113.01  164.617  1075.25  160.778  294.684   22.541  289.661   22.401 5.023224 31.77923 
1 1 1   -3  -12   16 f  127.898   19.295  212.308   59.710  212.308   59.710   0.0000   0.0000  127.898   19.295  ?   ?  0.000000 19.29544 
1 1 1   -3  -12   17 o  343.527   17.777  1503.37  151.975  1450.37  216.821  1554.55  213.077  333.529   26.245  346.127   24.817 -12.59805 36.11987 
1 1 1   -3  -12   18 o  175.136   12.297  388.467   53.442  453.790   80.118  336.104   71.731  188.142   17.245  161.465   18.102 26.67735 25.00095 
1 1 1   -3  -12   19 o  298.018   16.107  1131.75  119.425  1137.69  171.727  1126.20  166.194  295.508   23.464  294.348   22.788 1.159607 32.70865 
1 1 1   -3  -12   20 o  228.025   14.553  661.800   82.435  616.502  121.090  700.927  112.540  217.125   22.667  232.961   19.525 -15.83643 29.91727 
1 1 1   -3  -12   21 o  208.012   13.399  549.898   69.231  617.422  105.247  498.396   91.917  218.401   19.503  196.241   18.994 22.16006 27.22395 
1 1 1   -3  -12   22 o  213.055   14.278  578.526   75.523  554.790  113.080  597.639  101.471  205.616   22.385  214.867   19.111 -9.250870 29.43300 
1 1 1   -3  -12   23 o  163.277   13.834  340.521   55.874  291.729   87.099  374.642   72.835  147.500   24.507  170.254   17.375 -22.75424 30.04103 
1 1 1   -3  -12   24 o  112.710   25.041  173.285   68.649  173.285   68.649   0.0000   0.0000  112.710   25.041  ?   ?  0.000000 25.04093 
1 1 1   -3  -12   25 o   94.974   15.042  117.662   34.486   89.009   59.914  131.858   42.172   81.985   26.040   99.975   17.531 -17.99022 31.39120 
1 1 1   -3  -12   26 o  291.618   13.251  1081.02   96.494  1204.35  128.568  921.935  146.017  305.680   16.909  264.228   22.339 41.45218 28.01653 
1 1 1   -3  -12   27 o  143.870   12.872  265.377   45.756  326.149   75.331  229.848   57.599  157.098   19.631  132.177   17.912 24.92068 26.57453 
1 1 1   -3  -12   28 o  134.643   12.610  233.124   41.906  352.983   73.572  175.563   50.985  163.569   18.327  114.725   18.420 48.84384 25.98390 
1 1 1   -3  -12   29 o   65.264   17.921   57.807   30.099 -52.0233  145.995   62.683   30.759   73.414   33.926   67.863   17.895 5.551208 38.35584 
1 1 1   -3  -12   30 o   51.019   16.589   33.627   24.214 -40.0804   66.024   45.081   26.028   49.022   22.710   57.794   16.940 -8.771606 28.33200 
1 1 1   -3  -12   31 o  128.679   15.236  220.819   48.009  144.898   85.038  256.338   58.165   95.603   31.089  137.539   17.319 -41.93591 35.58743 
1 1 1   -3  -12   32 o   69.875   27.535   62.503   70.680   62.503   70.680   0.0000   0.0000   69.875   27.535  ?   ?  0.000000 27.53451 
1 1 1   -3  -12   33 o   43.465   15.890   22.249   22.482 -31.8240   64.496   29.728   23.987   47.867   22.268   47.915   16.523 -0.4807281E-01 27.72832 
1 1 1   -3  -12   34 o   57.167   17.425   46.480   27.128 -26.8811   72.996   58.236   29.221   50.973   23.705   63.488   17.744 -12.51464 29.61006 
1 1 1   -3  -12   35 o  105.285   18.046  160.400   45.739  134.170  199.077  161.862   46.996   82.148   38.510  105.387   18.534 -23.23880 42.73842 
1 1 1   -3  -12   36 o  109.798   18.023  177.152   47.701  269.535  210.284  172.140   48.977   88.546   40.847  107.374   18.959 -18.82832 45.03246 
1 1 1   -3  -12   37 o   48.413   17.350   32.811   26.630 -244.2878  220.335   36.919   26.826   58.311   29.570   50.502   17.470 7.809395 34.34511 
1 1 1   -3  -11    1 o  247.126   14.048  768.505   86.337  719.938  122.278  816.789  121.920  238.044   20.779  253.932   19.373 -15.88779 28.40897 
1 1 1   -3  -11    2 o  422.607   19.945  2248.45  210.490  2288.01  298.014  2209.07  297.342  423.640   28.333  416.099   28.793 7.541168 40.39581 
1 1 1   -3  -11    3 f  527.828   34.647  3570.95  454.147   0.0000   0.0000  3570.95  454.147  ?   ?   527.828   34.647 0.000000 34.64749 
1 1 1   -3  -11    4 o  194.085   12.621  473.603   60.835  441.977   86.412  504.681   85.660  186.648   18.795  199.788   17.342 -13.13976 25.57337 
1 1 1   -3  -11    5 o  500.987   22.963  3160.72  287.287  3159.37  406.627  3162.07  405.943  497.627   32.908  497.864   32.836 -0.2365723 46.48795 
1 1 1   -3  -11    6 o  217.305   12.942  593.234   69.911  642.118   99.703  545.952   98.056  225.519   17.850  207.647   19.125 17.87151 26.16108 
1 1 1   -3  -11    7 o  221.523   13.382  616.636   73.678  607.972  105.003  625.040  103.408  219.187   19.384  222.352   18.800 -3.165878 27.00295 
1 1 1   -3  -11    8 o  803.764   51.429  8428.40  1026.85  8428.40  1026.85   0.0000   0.0000  803.764   51.429  ?   ?  0.000000 51.42913 
1 1 1   -3  -11    9 f  452.463   21.015  2574.33  237.445  2656.67  336.560  2492.72  335.042  457.131   29.643  442.506   30.506 14.62518 42.53627 
1 1 1   -3  -11   10 o  568.834   25.579  4085.18  363.346  4183.91  514.781  3987.15  512.923  571.424   36.263  557.461   37.057 13.96259 51.84832 
1 1 1   -3  -11   11 o  598.482   26.849  4532.08  401.259  4594.40  568.334  4470.16  566.600  597.392   38.299  589.025   38.737 8.366333 54.47329 
1 1 1   -3  -11   12 o   76.813   13.119   75.993   24.261   74.366   38.913   77.028   31.030   75.558   20.224   76.855   16.649 -1.297768 26.19555 
1 1 1   -3  -11   13 o  388.059   27.021  1922.41  260.215   0.0000   0.0000  1922.41  260.215  ?   ?   388.059   27.021 0.000000 27.02104 
1 1 1   -3  -11   14 o   59.034   14.353   45.516   20.954   40.865   35.585   47.986   25.926   59.171   20.133   60.789   16.608 -1.618317 26.09889 
1 1 1   -3  -11   15 o  232.446   14.001  681.516   80.892  672.451  116.583  689.931  112.332  229.556   20.555  232.788   19.504 -3.232147 28.33547 
1 1 1   -3  -11   16 o  140.901   12.117  251.152   42.219  267.073   63.506  238.542   56.516  144.241   18.024  136.426   16.955 7.815353 24.74565 
1 1 1   -3  -11   17 o  296.608   23.234  1132.86  170.712  1132.86  170.712   0.0000   0.0000  296.608   23.234  ?   ?  0.000000 23.23358 
1 1 1   -3  -11   18 o  242.421   14.620  744.969   88.093  701.715  127.237  784.792  122.087  232.993   22.134  247.276   19.941 -14.28252 29.79203 
1 1 1   -3  -11   19 f  133.136   12.729  225.501   41.805  208.373   64.481  237.921   54.908  125.850   21.276  135.956   16.512 -10.10605 26.93155 
1 1 1   -3  -11   20 o   39.249   14.104   16.476   17.607   36.912   38.604   11.108   19.785   57.993   20.879   37.580   14.639 20.41283 25.49899 
1 1 1   -3  -11   21 o   70.577   17.234   65.988   30.111   0.0000   0.0000   65.988   30.111  ?   ?    70.577   17.234 0.000000 17.23408 
1 1 1   -3  -11   23 o   91.946   14.021  109.518   31.175  117.587   56.539  105.992   37.370   93.209   24.109   89.653   17.319 3.555130 29.68490 
1 1 1   -3  -11   24 o  156.234   13.441  311.468   51.930  302.639   82.489  317.264   66.837  151.120   22.549  156.582   17.387 -5.462433 28.47368 
1 1 1   -3  -11   25 o  239.405   14.612  731.453   86.935  769.161  130.391  701.278  116.644  242.400   21.773  232.068   20.333 10.33191 29.79094 
1 1 1   -3  -11   26 o  235.872   23.387  735.873  135.937  735.873  135.937   0.0000   0.0000  235.872   23.387  ?   ?  0.000000 23.38688 
1 1 1   -3  -11   27 o   86.241   15.602   97.873   32.364   75.001   61.766  106.530   37.998   77.130   26.519   89.531   17.623 -12.40069 31.84071 
1 1 1   -3  -11   28 o  307.135   12.929  1200.47   99.161  1433.16  133.562  914.672  148.019  333.903   16.018  262.090   22.844 71.81299 27.90066 
1 1 1   -3  -11   29 o   63.959   16.789   54.941   27.154   34.406   64.646   59.340   29.922   64.800   26.067   66.369   17.721 -1.568260 31.52009 
1 1 1   -3  -11   30 o   85.190   17.098   97.939   35.108  118.728  154.961   96.814   36.045   97.723   39.971   84.509   17.650 13.21404 43.69451 
1 1 1   -3  -11   31 o   59.528   16.489   48.125   25.354   20.641   58.695   54.430   28.112   58.046   24.250   63.105   17.316 -5.059692 29.79781 
1 1 1   -3  -11   32 o   63.620   16.794   55.914   27.073   38.510   62.730   59.898   30.011   63.039   25.565   65.627   17.843 -2.588257 31.17617 
1 1 1   -3  -11   33 o   52.446   23.790 -14.3735   67.461 -14.3735   67.461   0.0000   0.0000   52.446   23.790  ?   ?  0.000000 23.79012 
1 1 1   -3  -11   34 o   50.539   16.630   34.340   24.306   45.617   70.896   32.838   25.875   64.632   26.797   50.011   17.166 14.62120 31.82355 
1 1 1   -3  -11   35 o   77.814   17.243   86.625   32.624   29.586   77.466   98.922   35.970   61.644   26.848   82.910   17.898 -21.26610 32.26632 
1 1 1   -3  -11   36 o   29.070   12.811  -2.7652   18.112   85.224   80.134  -7.5020   18.593   72.503   29.073   27.791   12.559 44.71249 31.66910 
1 1 1   -3  -11   37 o  107.052   18.597  170.048   47.912   48.852  218.883  176.147   49.103   73.209   35.820  108.863   18.738 -35.65384 40.42550 
1 1 1   -3  -11   38 o   92.739   18.627  131.379   41.640  360.091  230.902  123.691   42.334   87.168   41.056   89.040   19.573 -1.872063 45.48253 
1 1 1   -3  -10    1 o  218.993   13.197  604.035   71.835  571.344  101.756  636.515  101.426  211.870   19.450  223.955   18.296 -12.08453 26.70260 
1 1 1   -3  -10    2 o  199.717   12.713  502.177   63.072  458.750   89.395  545.221   89.000  189.823   19.119  207.427   17.341 -17.60364 25.81184 
1 1 1   -3  -10    3 o  438.213   20.569  2421.42  225.081  2458.24  318.595  2384.74  318.031  438.420   29.269  431.641   29.686 6.778656 41.68790 
1 1 1   -3  -10    4 o  136.784   16.032  237.990   53.722   0.0000   0.0000  237.990   53.722  ?   ?   136.784   16.032 0.000000 16.03165 
1 1 1   -3  -10    5 o  828.756   36.427  8780.95  753.868  8949.29  1066.70  8612.97  1065.56  825.315   52.024  808.808   53.051 16.50684 74.30265 
1 1 1   -3  -10    6 o  916.346   40.065 10763.48  916.797 11142.06  1297.44 10385.94  1295.66  918.887   56.821  885.255   58.947 33.63275 81.87427 
1 1 1   -3  -10    7 o  348.692   17.120  1525.10  149.070  1609.16  211.464  1442.06  210.176  356.624   23.883  337.270   25.135 19.35391 34.67259 
1 1 1   -3  -10    8 o  528.157   23.962  3513.56  316.042  3589.52  447.534  3437.99  446.370  530.486   33.962  518.898   34.647 11.58722 48.51603 
1 1 1   -3  -10    9 o  335.885   24.312  1428.59  202.545  1428.59  202.545   0.0000   0.0000  335.885   24.312  ?   ?  0.000000 24.31238 
1 1 1   -3  -10   10 o  323.244   16.543  1313.61  133.090  1322.12  188.980  1305.23  187.464  323.160   23.581  321.085   23.544 2.074158 33.32231 
1 1 1   -3  -10   11 o  432.126   20.215  2347.32  218.135  2442.66  309.477  2253.19  307.510  438.498   28.415  420.805   29.449 17.69226 40.92301 
1 1 1   -3  -10   12 o  159.482   12.363  320.346   48.852  300.557   71.177  337.971   67.172  153.512   18.971  163.274   16.710 -9.762299 25.28104 
1 1 1   -3  -10   13 o   75.946   13.387   74.403   24.462   62.997   39.095   81.741   31.359   70.235   20.809   79.253   16.386 -9.017113 26.48672 
1 1 1   -3  -10   14 o  220.745   19.059  618.081  104.033   0.0000   0.0000  618.081  104.033  ?   ?   220.745   19.059 0.000000 19.05944 
1 1 1   -3  -10   15 o  321.498   16.617  1303.89  132.954  1314.80  189.788  1293.38  186.310  321.125   23.837  318.552   23.589 2.573151 33.53558 
1 1 1   -3  -10   16 o  189.498   12.811  452.828   60.267  472.737   88.308  435.472   82.454  192.618   18.590  184.900   18.089 7.717728 25.93865 
1 1 1   -3  -10   17 o  281.995   15.742  1005.60  110.412  945.344  158.211  1062.82  154.160  271.246   23.592  288.366   21.564 -17.11972 31.96251 
1 1 1   -3  -10   18 o   76.547   22.260   76.411   45.103   76.411   45.103   0.0000   0.0000   76.547   22.260  ?   ?  0.000000 22.26000 
1 1 1   -3  -10   19 o  296.283   16.203  1114.76  119.424  1070.60  171.154  1156.67  166.716  287.448   24.065  299.541   22.451 -12.09302 32.91197 
1 1 1   -3  -10   20 o   74.374   14.441   72.259   25.854   61.687   45.417   77.327   31.446   70.078   22.715   76.585   16.896 -6.507523 28.31016 
1 1 1   -3  -10   21 o  131.689   12.536  220.683   40.727  246.578   64.748  203.731   52.389  137.593   19.381  125.431   17.177 12.16217 25.89764 
1 1 1   -3  -10   22 o  132.616   12.664  224.004   41.428  249.353   66.683  208.070   52.870  138.118   19.909  126.714   17.149 11.40364 26.27625 
1 1 1   -3  -10   23 o  104.723   16.869  143.095   42.615   0.0000   0.0000  143.095   42.615  ?   ?   104.723   16.869 0.000000 16.86862 
1 1 1   -3  -10   24 o  228.553   14.483  665.260   82.230  659.979  122.433  669.599  110.989  224.766   22.099  227.415   19.740 -2.649139 29.63122 
1 1 1   -3  -10   25 o  163.007   13.728  339.069   55.362  314.617   87.734  355.249   71.365  153.796   23.598  165.793   17.502 -11.99706 29.37951 
1 1 1   -3  -10   26 o  119.689   13.693  183.967   40.189  197.049   72.427  178.148   48.308  120.518   24.890  116.876   17.054 3.641708 30.17177 
1 1 1   -3  -10   27 o  299.432   25.470  1192.69  188.638  1192.69  188.638   0.0000   0.0000  299.432   25.470  ?   ?  0.000000 25.46980 
1 1 1   -3  -10   28 o  221.960   14.648  630.930   80.735  634.907  123.091  627.927  106.955  218.829   22.863  219.219   19.750 -0.3900757 30.21193 
1 1 1   -3  -10   29 o  102.335   14.928  136.672   37.025   83.841   65.648  161.316   44.836   80.329   27.345  110.783   16.728 -30.45406 32.05622 
1 1 1   -3  -10   30 o  188.969   13.479  459.083   63.189  396.623   90.581  518.293   88.193  171.745   21.598  198.691   17.969 -26.94531 28.09590 
1 1 1   -3  -10   31 f   41.044   15.367   17.019   21.251  155.820  153.287   14.299   21.458  103.799   40.659   39.766   15.313 64.03326 43.44658 
1 1 1   -3  -10   32 o  102.896   15.472  141.162   38.524   59.930   69.079  177.829   46.412   71.218   27.461  115.192   16.615 -43.97474 32.09590 
1 1 1   -3  -10   33 o   53.342   16.759   38.076   24.875  -9.4179   65.073   46.203   26.919   53.155   23.801   58.109   17.279 -4.954441 29.41156 
1 1 1   -3  -10   34 o   13.628   6.8359 -29.0376   10.090 -25.5955   65.138 -29.1223   10.213   49.707   22.858   13.756   6.8972 35.95033 23.87630 
1 1 1   -3  -10   35 o   72.041   28.687   72.228   77.467   72.228   77.467   0.0000   0.0000   72.041   28.687  ?   ?  0.000000 28.68664 
1 1 1   -3  -10   36 o   34.576   14.208   7.3623   19.692 -73.5411   75.252   13.309   20.403   46.006   22.151   37.799   14.826 8.207970 26.65506 
1 1 1   -3  -10   37 o   96.833   17.022  134.044   39.659   79.582   90.299  147.060   44.144   71.806   30.045  100.613   18.242 -28.80784 35.14952 
1 1 1   -3  -10   38 o   75.735   19.083   87.382   36.076 -205.3708  224.826   95.119   36.550   62.588   31.512   79.356   18.743 -16.76780 36.66439 
1 1 1   -3   -9    1 o  329.371   23.992  1387.13  195.978  1387.13  195.978   0.0000   0.0000  329.371   23.992  ?   ?  0.000000 23.99211 
1 1 1   -3   -9    2 o  275.211   14.913  955.113  102.106  922.025  144.529  988.082  144.270  268.902   21.709  278.634   20.886 -9.732819 30.12470 
1 1 1   -3   -9    3 f  469.425   21.860  2789.96  256.249  2735.71  362.463  2844.16  362.320  460.343   31.724  469.731   31.064 -9.388824 44.40009 
1 1 1   -3   -9    4 o  115.262   11.008  167.901   31.299  154.926   44.640  180.449   43.896  109.754   16.824  118.930   15.122 -9.175156 22.62137 
1 1 1   -3   -9    5 o  390.326   18.782  1917.01  183.067  1939.07  259.216  1895.06  258.578  390.151   26.768  385.607   27.024 4.544159 38.03693 
1 1 1   -3   -9    6 o  572.982   37.321  4222.56  531.096   0.0000   0.0000  4222.56  531.096  ?   ?   572.982   37.321 0.000000 37.32137 
1 1 1   -3   -9    7 o  272.771   14.909  935.235  101.171  882.979  143.363  987.078  142.794  263.971   21.947  279.426   20.610 -15.45493 30.10722 
1 1 1   -3   -9    8 o  550.131   24.828  3815.32  341.080  3906.28  482.881  3724.75  481.840  552.950   35.153  539.613   35.964 13.33728 50.29049 
1 1 1   -3   -9    9 f  559.175   25.197  3941.53  351.847  4015.08  498.129  3868.29  497.047  560.602   35.769  549.997   36.396 10.60541 51.03002 
1 1 1   -3   -9   10 o  386.374   26.868  1892.94  257.622  1892.94  257.622   0.0000   0.0000  386.374   26.868  ?   ?  0.000000 26.86802 
1 1 1   -3   -9   11 o  387.668   18.734  1886.59  181.359  1890.24  257.115  1882.98  255.849  386.054   26.837  385.327   26.755 0.7265015 37.89535 
1 1 1   -3   -9   12 o  438.906   20.698  2421.96  226.855  2385.88  321.567  2457.72  320.080  433.016   29.922  439.677   29.321 -6.660736 41.89293 
1 1 1   -3   -9   13 o  322.965   16.593  1312.07  133.373  1321.80  189.809  1302.58  187.450  322.930   23.703  320.585   23.580 2.344604 33.43441 
1 1 1   -3   -9   14 o  470.006   21.695  2783.98  254.631  2885.09  361.360  2684.25  358.858  475.368   30.604  458.134   31.560 17.23422 43.96155 
1 1 1   -3   -9   15 o  345.253   24.778  1516.95  212.206   0.0000   0.0000  1516.95  212.206  ?   ?   345.253   24.778 0.000000 24.77808 
1 1 1   -3   -9   16 o  192.120   12.541  464.799   59.834  530.967   88.267  408.543   81.388  204.637   17.439  179.126   18.459 25.51018 25.39447 
1 1 1   -3   -9   17 o  179.608   12.661  406.881   56.421  427.957   83.178  388.918   76.787  183.225   18.429  174.697   17.852 8.527603 25.65814 
1 1 1   -3   -9   18 o  304.367   16.404  1172.14  124.216  1123.35  177.790  1218.66  173.621  295.628   24.298  308.539   22.693 -12.91107 33.24734 
1 1 1   -3   -9   19 o  139.673   12.290  247.142   42.431  259.187   64.651  238.027   56.238  141.765   18.720  136.173   16.902 5.592545 25.22138 
1 1 1   -3   -9   21 o  141.274   20.141  259.965   69.043  259.965   69.043   0.0000   0.0000  141.274   20.141  ?   ?  0.000000 20.14091 
1 1 1   -3   -9   22 f   96.418   13.198  119.485   30.942  143.167   53.581  107.636   37.901  103.772   21.388   90.516   17.400 13.25614 27.57150 
1 1 1   -3   -9   23 o  229.307   14.479  668.528   82.482  640.755  121.301  692.413  112.490  221.811   22.197  231.673   19.629 -9.862564 29.63118 
1 1 1   -3   -9   24 o  209.863   18.940  568.377   98.188   0.0000   0.0000  568.377   98.188  ?   ?   209.863   18.940 0.000000 18.93980 
1 1 1   -3   -9   25 o  280.832   15.145  1004.49  105.820  1119.09  156.490  907.941  143.638  293.608   21.493  264.083   21.981 29.52521 30.74243 
1 1 1   -3   -9   26 o  138.390   13.050  244.404   44.565  257.509   73.078  236.645   56.231  139.584   21.668  135.135   17.042 4.449707 27.56663 
1 1 1   -3   -9   27 o  266.692   15.572  909.018  103.257  905.397  152.366  912.093  140.419  262.362   23.505  264.449   21.448 -2.086792 31.82017 
1 1 1   -3   -9   28 o   66.939   25.278   45.909   57.753   45.909   57.753   0.0000   0.0000   66.939   25.278  ?   ?  0.000000 25.27785 
1 1 1   -3   -9   29 o  135.687   13.976  236.689   46.679  219.958   80.563  245.145   57.273  126.386   26.378  137.167   17.091 -10.78094 31.43150 
1 1 1   -3   -9   30 f   79.641   15.971   84.216   30.658  106.858   62.187   76.946   35.237   88.100   26.278   75.539   18.764 12.56094 32.29001 
1 1 1   -3   -9   31 f  164.119   12.669  345.711   51.519  412.685   81.462  301.067   66.510  176.690   18.749  151.002   17.992 25.68852 25.98554 
1 1 1   -3   -9   32 o  105.343   16.401  147.761   41.741  299.591  168.716  137.861   43.080  131.546   43.840  101.182   17.694 30.36411 47.27575 
1 1 1   -3   -9   33 o  155.340   14.222  316.084   54.557  259.819   87.301  352.138   69.884  132.828   27.234  162.120   17.542 -29.29189 32.39435 
1 1 1   -3   -9   34 o  126.281   14.398  211.618   44.591  186.255   78.655  223.631   54.130  109.549   28.486  128.218   17.352 -18.66927 33.35429 
1 1 1   -3   -9   35 o  120.251   14.311  193.509   42.131  250.836   82.849  173.513   48.931  127.483   26.872  111.579   18.188 15.90394 32.44807 
1 1 1   -3   -9   36 o   57.870   26.310  -6.5853   83.103  -6.5853   83.103   0.0000   0.0000   57.870   26.310  ?   ?  0.000000 26.30976 
1 1 1   -3   -9   37 o   85.300   18.337  105.137   37.898 -63.3339   85.665  146.133   42.258   50.522   24.142  101.698   17.257 -51.17530 29.67550 
1 1 1   -3   -9   38 o   38.545   15.260   13.855   21.805   11.351   89.979   14.012   22.474   59.977   27.310   38.949   15.470 21.02885 31.38692 
1 1 1   -3   -9   39 o   51.861   17.667   38.328   27.401 -152.5009  221.528   41.293   27.613   64.053   32.116   53.410   17.733 10.64319 36.68647 
1 1 1   -3   -8    1 o  501.159   23.115  3188.54  289.286  3189.01  409.249  3188.07  408.974  495.857   33.243  495.793   33.225 0.6332397E-01 47.00006 
1 1 1   -3   -8    2 o  213.604   18.617  580.370   98.312  580.370   98.312   0.0000   0.0000  213.604   18.617  ?   ?  0.000000 18.61706 
1 1 1   -3   -8    3 o  494.133   22.860  3100.90  282.074  3091.91  399.035  3109.87  398.792  488.030   32.935  489.518   32.813 -1.488647 46.49124 
1 1 1   -3   -8    4 o  219.412   13.186  606.476   71.910  603.180  101.887  609.748  101.506  217.793   18.922  219.021   18.739 -1.228592 26.63075 
1 1 1   -3   -8    5 o  280.288   15.077  989.855  105.137  978.085  148.881  1001.56  148.493  277.283   21.674  280.686   21.345 -3.403168 30.41993 
1 1 1   -3   -8    6 o  185.786   12.390  434.400   57.153  398.099   81.070  470.268   80.586  176.897   18.632  192.710   16.917 -15.81290 25.16648 
1 1 1   -3   -8    7 o  356.178   25.206  1611.10  222.745   0.0000   0.0000  1611.10  222.745  ?   ?   356.178   25.206 0.000000 25.20601 
1 1 1   -3   -8    8 o  214.743   13.177  579.636   70.322  554.107   99.835  604.775   99.071  209.125   19.336  218.709   18.308 -9.584015 26.62842 
1 1 1   -3   -8    9 o  573.931   25.857  4155.75  370.587  4048.68  524.210  4262.72  523.968  562.109   37.561  577.229   36.539 -15.11957 52.40162 
1 1 1   -3   -8   10 o  468.280   21.682  2757.21  253.543  2792.41  359.095  2722.22  358.036  468.617   30.859  462.581   31.177 6.036255 43.86610 
1 1 1   -3   -8   11 o  232.326   13.566  678.053   78.363  712.705  111.751  644.528  109.917  237.535   18.999  225.711   19.699 11.82433 27.36755 
1 1 1   -3   -8   12 o  387.573   26.994  1905.05  259.624  1905.05  259.624   0.0000   0.0000  387.573   26.994  ?   ?  0.000000 26.99362 
1 1 1   -3   -8   13 o  515.500   23.648  3347.57  304.416  3245.50  431.011  3449.16  430.009  503.983   34.453  520.012   33.289 -16.02866 47.90818 
1 1 1   -3   -8   14 o  581.357   26.133  4269.94  379.389  4341.73  537.505  4198.67  535.573  581.643   37.201  571.721   37.725 9.921448 52.98227 
1 1 1   -3   -8   15 o  515.245   23.569  3350.90  303.249  3397.18  430.071  3305.14  427.657  514.899   33.633  507.734   33.925 7.164978 47.77059 
1 1 1   -3   -8   16 o  191.467   13.045  461.640   62.002  455.239   90.461  467.311   85.147  189.152   19.427  191.921   17.976 -2.769699 26.46792 
1 1 1   -3   -8   17 o  205.575   18.545  536.855   94.178   0.0000   0.0000  536.855   94.178  ?   ?   205.575   18.545 0.000000 18.54505 
1 1 1   -3   -8   18 o  742.857   33.496  7144.06  621.363  6998.73  879.735  7288.73  877.749  719.263   49.276  735.437   48.058 -16.17474 68.83149 
1 1 1   -3   -8   19 o  162.039   12.831  331.977   51.493  313.697   76.871  346.856   69.352  156.026   20.204  164.876   17.093 -8.850571 26.46430 
1 1 1   -3   -8   20 o  217.235   13.923  596.893   75.131  572.583  109.460  618.549  103.310  211.003   21.055  219.963   18.994 -8.960510 28.35663 
1 1 1   -3   -8   21 o  228.091   20.895  669.888  117.690  669.888  117.690   0.0000   0.0000  228.091   20.895  ?   ?  0.000000 20.89465 
1 1 1   -3   -8   22 o   72.616   14.006   68.800   24.477   77.387   45.613   65.328   29.007   76.786   22.402   70.367   16.749 6.419304 27.97106 
1 1 1   -3   -8   23 o  195.630   13.438  485.564   65.251  473.182   96.502  495.994   88.565  191.098   20.545  196.432   18.264 -5.332977 27.48961 
1 1 1   -3   -8   24 o  135.601   12.910  234.208   43.190  221.246   68.038  242.956   55.896  129.435   21.826  137.262   16.648 -7.827576 27.45059 
1 1 1   -3   -8   25 o  165.898   17.458  354.684   71.240   0.0000   0.0000  354.684   71.240  ?   ?   165.898   17.458 0.000000 17.45828 
1 1 1   -3   -8   26 o  307.317   16.973  1207.80  129.751  1169.09  189.033  1242.29  178.419  297.871   25.664  308.493   23.333 -10.62244 34.68493 
1 1 1   -3   -8   27 o  110.609   13.483  157.105   36.470  157.385   62.786  156.962   44.804  107.941   23.922  109.719   16.894 -1.778580 29.28627 
1 1 1   -3   -8   28 o  112.559   13.982  163.091   38.455  132.790   66.313  178.443   47.202   98.574   26.408  117.136   16.602 -18.56247 31.19255 
1 1 1   -3   -8   29 o  129.953   24.693  228.603   77.202  228.603   77.202   0.0000   0.0000  129.953   24.693  ?   ?  0.000000 24.69270 
1 1 1   -3   -8   30 o   66.395   17.357   58.767   29.102 -56.9803   64.118   88.798   32.660   46.879   21.938   81.833   16.551 -34.95332 27.48100 
1 1 1   -3   -8   31 o  163.269   13.973  342.762   56.419  351.256   94.967  338.128   70.138  160.759   24.425  160.742   17.771 0.1783752E-01 30.20521 
1 1 1   -3   -8   32 o   92.598   16.019  113.775   35.701  145.310   73.970  104.198   40.763  100.594   28.272   87.549   19.176 13.04508 34.16171 
1 1 1   -3   -8   33 o  112.646   15.924  168.159   43.544  470.344  169.867  146.905   45.050  168.843   40.753  104.365   17.932 64.47776 44.52361 
1 1 1   -3   -8   34 o   91.098   15.969  111.848   35.004   55.845   71.408  129.561   40.160   70.368   27.693   97.730   17.077 -27.36201 32.53496 
1 1 1   -3   -8   35 o   84.583   16.015   97.689   32.588  111.960   74.339   94.294   36.258   85.543   29.099   82.164   18.155 3.379158 34.29843 
1 1 1   -3   -8   36 o  157.436   14.056  329.587   54.680  378.537   95.402  305.641   66.728  159.409   24.770  148.446   18.395 10.96321 30.85323 
1 1 1   -3   -8   37 o   51.177   24.241 -55.1379   82.610 -55.1379   82.610   0.0000   0.0000   51.177   24.241  ?   ?  0.000000 24.24062 
1 1 1   -3   -8   38 o   85.136   17.352  103.405   35.640   69.258   89.250  109.883   38.874   71.316   29.858   87.162   18.436 -15.84602 35.09100 
1 1 1   -3   -8   39 o   55.087   17.688   43.463   27.587 -22.7942   94.743   49.601   28.837   56.434   26.491   58.356   17.997 -1.921993 32.02648 
1 1 1   -3   -8   40 o   69.611   18.682   73.754   33.154  175.900  231.160   71.608   33.500   79.910   38.563   68.425   18.954 11.48451 42.96960 
1 1 1   -3   -7    1 o  485.610   22.430  2982.85  272.002  2911.35  384.622  3054.38  384.716  475.339   32.600  487.290   31.790 -11.95169 45.53373 
1 1 1   -3   -7    2 o  352.729   17.447  1567.12  153.676  1526.33  217.341  1607.90  217.322  345.562   25.363  354.938   24.672 -9.376099 35.38391 
1 1 1   -3   -7    3 o  195.617   17.919  486.530   86.559  486.530   86.559   0.0000   0.0000  195.617   17.919  ?   ?  0.000000 17.91881 
1 1 1   -3   -7    4 o  167.071   11.810  351.831   48.953  348.253   69.377  355.379   69.085  165.372   17.044  167.123   16.780 -1.751648 23.91808 
1 1 1   -3   -7    5 o  271.786   14.812  931.411  100.147  886.255  141.695  976.482  141.563  263.607   21.719  277.064   20.608 -13.45731 29.93979 
1 1 1   -3   -7    6 o  488.982   22.622  3028.74  276.228  3020.69  390.812  3036.77  390.481  483.657   32.547  485.004   32.428 -1.347198 45.94414 
1 1 1   -3   -7    7 o  194.985   12.575  478.447   60.904  470.078   86.464  486.689   85.802  192.436   18.209  195.916   17.730 -3.480164 25.41512 
1 1 1   -3   -7    8 o  527.488   34.684  3569.89  454.326   0.0000   0.0000  3569.89  454.326  ?   ?   527.488   34.684 0.000000 34.68425 
1 1 1   -3   -7    9 o  389.374   18.775  1904.31  182.555  1894.44  258.491  1914.14  257.853  386.242   26.969  388.306   26.755 -2.063446 37.98911 
1 1 1   -3   -7   10 f  656.742   29.198  5456.18  478.849  5335.86  677.328  5576.41  677.062  643.577   42.382  658.446   41.388 -14.86902 59.23861 
1 1 1   -3   -7   11 o  750.901   32.913  7152.43  617.172  7415.33  873.687  6890.59  871.940  757.446   46.414  729.112   48.161 28.33417 66.88634 
1 1 1   -3   -7   12 o  489.571   22.526  3014.71  275.395  3031.78  390.008  2997.73  388.930  488.088   32.179  485.302   32.277 2.786469 45.57702 
1 1 1   -3   -7   13 o  359.519   25.552  1637.51  227.907  1637.51  227.907   0.0000   0.0000  359.519   25.552  ?   ?  0.000000 25.55183 
1 1 1   -3   -7   14 o  354.745   17.233  1578.63  152.661  1712.24  217.174  1448.12  214.640  367.937   23.764  337.874   25.630 30.06314 34.95159 
1 1 1   -3   -7   15 o  554.951   24.718  3885.81  342.548  4167.28  485.896  3607.70  482.989  571.014   34.234  530.230   36.703 40.78381 50.19024 
1 1 1   -3   -7   16 o  407.118   19.616  2085.13  199.426  2048.87  283.228  2120.78  280.848  400.942   28.473  408.163   27.718 -7.221283 39.73713 
1 1 1   -3   -7   17 o  484.792   22.512  2969.11  272.537  2969.04  386.763  2969.19  384.102  480.786   32.403  480.891   32.171 -0.1049805 45.66070 
1 1 1   -3   -7   18 o  633.557   41.649  5271.71  655.262   0.0000   0.0000  5271.71  655.262  ?   ?   633.557   41.649 0.000000 41.64907 
1 1 1   -3   -7   19 o  337.987   24.547  1461.99  205.769   0.0000   0.0000  1461.99  205.769  ?   ?   337.987   24.547 0.000000 24.54733 
1 1 1   -3   -7   20 o  269.725   22.190  931.996  148.133  931.996  148.133   0.0000   0.0000  269.725   22.190  ?   ?  0.000000 22.18963 
1 1 1   -3   -7   21 o  224.103   13.880  635.087   77.295  626.639  112.145  642.732  106.682  220.950   20.561  224.165   19.244 -3.214462 28.16214 
1 1 1   -3   -7   22 o  230.650   20.788  684.740  118.445  684.740  118.445   0.0000   0.0000  230.650   20.788  ?   ?  0.000000 20.78758 
1 1 1   -3   -7   23 o   56.925   14.236   42.538   20.183   72.818   39.073   31.518   23.572   74.281   20.428   50.569   16.362 23.71264 26.17253 
1 1 1   -3   -7   24 o  153.521   12.878  299.393   48.915  294.544   75.909  302.837   63.967  150.244   20.789  153.457   16.977 -3.213699 26.84035 
1 1 1   -3   -7   25 o  126.650   12.930  204.547   40.320  184.137   63.516  218.323   52.181  117.684   22.432  130.089   16.429 -12.40565 27.80498 
1 1 1   -3   -7   26 o  177.164   13.501  399.109   59.279  375.060   90.280  417.336   78.595  169.246   21.873  180.046   17.710 -10.80038 28.14367 
1 1 1   -3   -7   27 o   93.385   14.030  112.791   31.707  126.355   60.657  107.692   37.193   96.629   24.961   90.508   17.082 6.120552 30.24654 
1 1 1   -3   -7   28 o  194.283   14.134  480.945   68.101  442.994  103.972  509.460   90.124  183.318   23.234  198.650   18.376 -15.33156 29.62229 
1 1 1   -3   -7   29 o  187.383   14.218  448.116   66.033  412.163  103.086  473.134   85.991  176.156   24.064  191.273   18.224 -15.11722 30.18544 
1 1 1   -3   -7   30 o  175.495   13.641  393.190   59.312  422.346   95.845  375.094   75.507  178.954   21.905  169.984   18.065 8.969940 28.39305 
1 1 1   -3   -7   31 o   46.590   16.028   25.555   22.565   84.251   61.940   16.573   24.230   80.336   26.553   42.712   16.314 37.62389 31.16412 
1 1 1   -3   -7   32 o   68.480   16.853   62.872   28.625   8.1671   68.000   74.654   31.557   60.024   25.634   74.577   17.283 -14.55349 30.91628 
1 1 1   -3   -7   33 o  155.524   14.265  313.365   54.786  313.578   96.328  313.264   66.607  149.157   26.849  154.062   17.631 -4.905136 32.12034 
1 1 1   -3   -7   34 o   69.548   16.898   65.842   29.058   66.973   69.522   65.603   31.986   73.927   27.773   69.203   18.248 4.724037 33.23138 
1 1 1   -3   -7   35 o   51.792   16.336   35.377   23.612  117.885   71.520   25.284   25.015   88.750   28.478   46.652   16.806 42.09871 33.06701 
1 1 1   -3   -7   36 o   46.067   16.139   26.006   22.928  -2.1672   72.815   29.107   24.157   56.971   25.367   48.120   16.582 8.850887 30.30578 
1 1 1   -3   -7   37 o  156.295   14.705  326.859   56.720  308.396   97.926  336.180   69.580  139.278   29.094  155.836   18.224 -16.55840 34.33049 
1 1 1   -3   -7   38 o   68.917   30.106   41.770   98.066   41.770   98.066   0.0000   0.0000   68.917   30.106  ?   ?  0.000000 30.10589 
1 1 1   -3   -7   39 o   61.903   17.678   55.245   28.684   48.507   92.028   55.970   30.188   67.618   29.356   62.165   18.250 5.453701 34.56636 
1 1 1   -3   -7   40 o   37.056   15.069   10.624   21.863   4.6125  115.504   10.847   22.265   63.352   29.580   37.373   15.203 25.97884 33.25877 
1 1 1   -3   -6    1 o  397.823   19.022  1990.85  188.974  2032.41  267.379  1949.38  267.120  399.596   26.953  391.153   27.522 8.443451 38.52170 
1 1 1   -3   -6    2 o  655.774   29.232  5476.53  478.692  5656.67  677.348  5296.79  676.599  658.905   41.376  636.594   42.810 22.31110 59.53747 
1 1 1   -3   -6    3 o  128.466   11.033  208.239   35.052  204.928   49.820  211.485   49.325  126.678   16.114  128.796   15.658 -2.118263 22.46825 
1 1 1   -3   -6    4 o  308.568   22.926  1213.99  175.394  1213.99  175.394   0.0000   0.0000  308.568   22.926  ?   ?  0.000000 22.92598 
1 1 1   -3   -6    5 o  155.030   11.592  303.054   44.552  280.725   63.132  325.207   62.882  148.239   17.384  159.957   15.955 -11.71756 23.59632 
1 1 1   -3   -6    6 o  463.244   21.608  2719.26  249.965  2576.46  353.402  2862.23  353.605  446.037   31.940  471.101   30.217 -25.06415 43.96833 
1 1 1   -3   -6    7 o  277.073   14.984  967.493  103.289  958.563  146.273  976.373  145.874  274.446   21.515  277.063   21.246 -2.617584 30.23724 
1 1 1   -3   -6    8 o  680.454   30.351  5908.73  515.728  5711.70  729.222  6105.91  729.477  659.579   44.534  683.183   42.978 -23.60449 61.89004 
1 1 1   -3   -6    9 o  355.997   25.216  1609.60  222.717   0.0000   0.0000  1609.60  222.717  ?   ?   355.997   25.216 0.000000 25.21599 
1 1 1   -3   -6   10 o  141.423   11.701  251.997   40.953  212.513   58.461  290.044   57.387  128.765   18.730  151.341   15.399 -22.57603 24.24756 
1 1 1   -3   -6   11 o  467.847   21.709  2752.46  253.625  2740.10  359.023  2764.78  358.339  464.056   31.162  466.208   30.956 -2.152405 43.92413 
1 1 1   -3   -6   12 o  777.300   34.134  7671.03  662.571  7741.73  937.524  7600.48  936.510  772.833   48.830  765.479   49.254 7.354126 69.35628 
1 1 1   -3   -6   13 o  400.597   18.914  2013.99  189.207  2161.92  268.504  1868.08  266.665  413.287   26.151  383.657   28.028 29.63025 38.33334 
1 1 1   -3   -6   14 o  270.680   21.422  926.636  143.616  926.636  143.616   0.0000   0.0000  270.680   21.422  ?   ?  0.000000 21.42189 
1 1 1   -3   -6   15 o  212.879   13.034  569.448   68.956  630.748   99.154  512.030   95.963  223.490   17.917  201.003   19.358 22.48674 26.37680 
1 1 1   -3   -6   16 o  193.087   12.574  468.744   60.299  536.244   87.714  408.259   83.031  206.005   17.208  179.309   18.824 26.69554 25.50439 
1 1 1   -3   -6   17 o  621.795   27.697  4901.06  430.055  5074.97  609.624  4728.77  606.766  626.954   39.134  604.441   40.432 22.51257 56.26918 
1 1 1   -3   -6   18 o  674.131   30.011  5795.34  505.215  5940.22  716.079  5651.75  712.896  674.122   42.759  656.832   43.713 17.28986 61.14839 
1 1 1   -3   -6   19 o  395.471   27.545  2003.69  270.325   0.0000   0.0000  2003.69  270.325  ?   ?   395.471   27.545 0.000000 27.54491 
1 1 1   -3   -6   20 o  267.853   14.747  905.089   98.258  951.234  141.431  862.035  136.611  273.237   20.886  259.949   21.230 13.28833 29.78164 
1 1 1   -3   -6   21 o  383.040   18.553  1857.57  177.467  1941.29  253.441  1777.04  248.582  388.066   26.308  370.892   27.025 17.17374 37.71599 
1 1 1   -3   -6   22 o  313.943   16.733  1250.43  130.709  1212.73  187.264  1286.24  182.527  306.329   24.690  316.110   23.287 -9.781281 33.93901 
1 1 1   -3   -6   23 o  100.766   20.996  134.372   51.118  134.372   51.118   0.0000   0.0000  100.766   20.996  ?   ?  0.000000 20.99597 
1 1 1   -3   -6   24 o  183.361   13.124  426.161   59.697  413.530   88.211  436.835   81.086  178.825   20.102  184.515   17.820 -5.690491 26.86323 
1 1 1   -3   -6   25 o  287.237   15.337  1048.24  109.613  1134.32  159.172  970.598  151.170  296.345   21.659  273.733   22.309 22.61215 31.09352 
1 1 1   -3   -6   26 o   99.299   13.719  126.913   33.111  100.302   56.060  141.169   41.033   86.715   24.697  104.238   16.297 -17.52302 29.58976 
1 1 1   -3   -6   27 o   99.385   13.060  126.840   31.627  173.269   57.234  106.430   37.948  114.478   20.786   89.912   17.531 24.56567 27.19209 
1 1 1   -3   -6   28 o  146.663   17.104  277.689   61.464   0.0000   0.0000  277.689   61.464  ?   ?   146.663   17.104 0.000000 17.10352 
1 1 1   -3   -6   29 o   59.779   16.078   47.047   24.525   56.563   56.341   44.823   27.241   70.318   25.233   58.753   17.361 11.56526 30.62840 
1 1 1   -3   -6   30 o  236.461   14.864  713.401   87.322  728.027  132.877  702.284  115.850  235.509   22.883  232.544   20.149 2.964935 30.48936 
1 1 1   -3   -6   31 o  263.709   16.016  891.457  104.972  850.294  157.050  924.697  141.129  252.758   25.218  265.916   21.435 -13.15776 33.09736 
1 1 1   -3   -6   32 o   86.807   28.390  100.586   70.876  100.586   70.876   0.0000   0.0000   86.807   28.390  ?   ?  0.000000 28.38968 
1 1 1   -3   -6   33 o   70.530   16.366   66.622   28.268   93.905   72.099   61.666   30.728   84.085   28.657   67.718   17.900 16.36737 33.78825 
1 1 1   -3   -6   34 o  122.969   14.978  197.787   45.042  160.858   88.464  210.711   52.334  104.385   31.389  126.165   17.048 -21.77949 35.71945 
1 1 1   -3   -6   35 o  112.827   15.946  169.187   43.677   72.564   79.350  211.186   52.315   76.989   29.496  125.730   17.107 -48.74133 34.09741 
1 1 1   -3   -6   36 o   92.102   17.298  116.004   38.325  133.869  179.658  115.152   39.227   97.116   41.576   91.536   17.802 5.580719 45.22730 
1 1 1   -3   -6   37 o  100.014   16.324  136.341   39.362   72.873   82.901  154.815   44.725   75.027   29.739  106.083   17.493 -31.05546 34.50225 
1 1 1   -3   -6   38 o  119.761   14.946  193.344   43.724  242.251   92.182  179.146   49.667  121.407   30.457  113.309   18.167 8.097870 35.46368 
1 1 1   -3   -6   39 o   98.285   34.920  181.588  107.650  181.588  107.650   0.0000   0.0000   98.285   34.920  ?   ?  0.000000 34.91992 
1 1 1   -3   -6   40 o   61.269   18.371   54.421   30.333   0.0000   0.0000   54.421   30.333  ?   ?    61.269   18.371 0.000000 18.37050 
1 1 1   -3   -6   41 f   49.059   17.176   32.547   25.969 -68.6698  103.754   39.311   26.822   53.445   25.803   52.703   17.476 0.7421188 31.16393 
1 1 1   -3   -5    1 o  199.428   12.500  499.885   61.936  523.135   87.718  476.769   87.465  203.412   17.437  193.997   18.270 9.415421 25.25553 
1 1 1   -3   -5    2 o  716.917   31.742  6540.29  568.261  6582.51  803.741  6498.10  803.543  710.935   45.512  706.152   45.816 4.783691 64.57832 
1 1 1   -3   -5    3 f  372.024   18.106  1740.21  168.209  1744.22  237.979  1736.20  237.787  370.240   25.903  369.375   25.944 0.8650208 36.66122 
1 1 1   -3   -5    4 o  910.530   39.919 10766.26  907.653 11673.03  1285.13  9863.75  1282.10  930.177   55.580  848.537   60.912 81.63928 82.45867 
1 1 1   -3   -5    5 o  334.475   24.231  1427.76  201.020  1427.76  201.020   0.0000   0.0000  334.475   24.231  ?   ?  0.000000 24.23143 
1 1 1   -3   -5    6 f  707.373   31.750  6447.95  560.838  6399.04  793.181  6496.85  793.107  691.575   46.194  697.248   45.805 -5.672607 65.05415 
1 1 1   -3   -5    7 o  466.216   21.764  2754.61  253.382  2679.90  358.354  2829.31  358.317  455.087   31.732  468.111   30.825 -13.02451 44.23903 
1 1 1   -3   -5    8 o  235.387   13.707  697.831   80.221  635.258  113.503  760.284  113.395  223.305   20.586  244.855   18.686 -21.55014 27.80237 
1 1 1   -3   -5    9 o  590.229   26.532  4421.46  391.054  4568.60  553.584  4274.90  552.487  594.121   37.505  573.936   38.776 20.18457 53.94651 
1 1 1   -3   -5   10 o  201.191   12.763  508.975   63.790  519.320   90.990  498.976   89.454  202.513   18.186  198.464   18.254 4.048798 25.76750 
1 1 1   -3   -5   11 o  479.164   31.819  2925.82  378.564   0.0000   0.0000  2925.82  378.564  ?   ?   479.164   31.819 0.000000 31.81862 
1 1 1   -3   -5   12 f  962.986   42.027 11881.48  1010.66 12207.23  1430.24 11556.59  1428.33  962.048   59.830  934.527   61.550 27.52124 85.83677 
1 1 1   -3   -5   13 o  476.867   21.827  2858.55  259.917  3017.34  368.513  2701.35  366.650  487.483   30.424  460.716   32.069 26.76685 44.20457 
1 1 1   -3   -5   14 o  359.878   17.244  1623.89  154.972  1809.70  220.474  1442.42  217.876  378.531   23.439  337.291   26.070 41.24039 35.05770 
1 1 1   -3   -5   15 o  329.350   24.215  1373.16  197.755  1373.16  197.755   0.0000   0.0000  329.350   24.215  ?   ?  0.000000 24.21454 
1 1 1   -3   -5   16 o  378.191   17.929  1794.85  169.324  1975.56  241.396  1619.84  237.569  395.160   24.585  357.198   26.830 37.96136 36.39001 
1 1 1   -3   -5   17 o  623.209   27.460  4913.39  427.355  5248.00  606.002  4582.37  602.755  639.178   38.140  595.940   40.747 43.23773 55.81255 
1 1 1   -3   -5   18 o  281.927   21.691  1007.69  151.536   0.0000   0.0000  1007.69  151.536  ?   ?   281.927   21.691 0.000000 21.69073 
1 1 1   -3   -5   19 o  360.811   17.467  1637.56  157.380  1803.22  224.238  1476.74  220.936  376.669   23.964  340.111   26.215 36.55798 35.51797 
1 1 1   -3   -5   20 o  116.368   16.432  173.697   46.422   0.0000   0.0000  173.697   46.422  ?   ?   116.368   16.432 0.000000 16.43217 
1 1 1   -3   -5   21 o  266.104   14.476  893.214   95.831  974.529  138.107  817.706  133.083  276.717   20.124  253.065   21.256 23.65259 29.27102 
1 1 1   -3   -5   22 o  206.912   13.710  541.065   70.437  496.243  102.387  581.339   97.053  196.442   21.208  213.515   18.382 -17.07344 28.06554 
1 1 1   -3   -5   23 o  135.194   12.019  231.589   40.152  266.394   62.054  206.522   52.663  143.957   17.630  126.617   17.092 17.33991 24.55562 
1 1 1   -3   -5   24 o  356.015   17.745  1609.76  157.756  1671.51  225.855  1550.93  220.444  358.831   25.369  345.392   25.743 13.43839 36.14267 
1 1 1   -3   -5   25 o  180.198   13.188  411.711   58.933  403.703   87.789  418.280   79.512  176.615   20.272  180.505   17.875 -3.890335 27.02740 
1 1 1   -3   -5   26 o  211.280   13.873  566.403   72.790  555.764  107.764  575.329   98.712  207.121   21.131  211.528   18.886 -4.406937 28.34112 
1 1 1   -3   -5   27 o  295.299   16.524  1111.55  121.359  1049.08  175.501  1168.79  167.999  283.109   25.084  300.215   22.574 -17.10580 33.74622 
1 1 1   -3   -5   28 o  199.839   12.893  506.305   63.997  614.646   98.817  428.036   83.990  218.688   18.262  182.093   18.738 36.59520 26.16536 
1 1 1   -3   -5   29 o  126.880   16.873  208.453   52.134   0.0000   0.0000  208.453   52.134  ?   ?   126.880   16.873 0.000000 16.87262 
1 1 1   -3   -5   30 o  397.055   19.777  2027.09  196.095  2053.12  283.199  2003.11  271.792  392.158   29.127  388.081   28.239 4.077209 40.56872 
1 1 1   -3   -5   31 o  292.073   16.541  1092.30  120.149  1092.12  178.468  1092.44  162.488  287.473   25.113  288.962   22.701 -1.489349 33.85212 
1 1 1   -3   -5   32 o   81.222   15.813   86.982   30.920  104.464   69.580   82.680   34.515   88.381   28.061   78.720   17.955 9.661224 33.31366 
1 1 1   -3   -5   33 o   78.558   28.190   75.193   70.319   75.193   70.319   0.0000   0.0000   78.558   28.190  ?   ?  0.000000 28.18973 
1 1 1   -3   -5   34 o   47.786   15.974   28.050   22.399   58.926   68.405   24.341   23.706   72.697   27.496   46.202   16.390 26.49492 32.01060 
1 1 1   -3   -5   35 o   58.435   16.626   45.720   25.418   40.784   72.167   46.419   27.158   68.091   27.488   58.953   17.311 9.137886 32.48492 
1 1 1   -3   -5   36 o   35.184   14.072   8.6739   18.721 -11.5967   72.850   10.107   19.372   56.534   25.258   36.324   14.383 20.20978 29.06563 
1 1 1   -3   -5   37 o   66.278   17.980   60.973   30.513   49.552  197.630   61.252   30.884   88.517   40.370   66.405   18.120 22.11201 44.25028 
1 1 1   -3   -5   38 o  107.258   15.787  155.811   41.019  124.474   85.852  165.081   46.694   88.441   31.210  109.418   17.693 -20.97751 35.87633 
1 1 1   -3   -5   39 o  121.086   15.840  199.460   46.749  154.977   98.076  212.538   53.178   94.489   33.357  123.838   17.700 -29.34914 37.76165 
1 1 1   -3   -5   40 o   70.680   18.758   72.395   33.659   4.8380   99.215   81.182   35.781   63.178   28.732   74.703   19.105 -11.52587 34.50414 
1 1 1   -3   -5   41 o   86.796   17.206  107.716   35.976  226.635  106.387   92.361   38.229  106.647   34.777   78.845   19.520 27.80277 39.88110 
1 1 1   -3   -5   42 o   42.646   16.283   20.785   24.130   4.7214  113.448   21.546   24.695   62.386   29.190   43.211   16.479 19.17518 33.52055 
1 1 1   -3   -4    1 o  309.525   22.769  1212.28  174.754   0.0000   0.0000  1212.28  174.754  ?   ?   309.525   22.769 0.000000 22.76879 
1 1 1   -3   -4    2 o  686.344   30.394  5972.84  520.930  6037.84  736.866  5907.89  736.547  683.435   43.401  675.756   43.885 7.678833 61.72156 
1 1 1   -3   -4    3 o  1020.80   44.944 13486.02  1145.68 13570.60  1620.41 13401.47  1620.05  1003.25   65.029  996.464   65.470 6.787109 92.27731 
1 1 1   -3   -4    4 o  715.250   31.721  6519.80  566.567  6573.07  801.397  6466.57  801.097  709.353   45.481  703.300   45.865 6.052917 64.59157 
1 1 1   -3   -4    5 o  321.997   16.431  1306.43  131.678  1330.78  186.358  1282.15  186.084  323.545   23.220  317.447   23.643 6.098602 33.13875 
1 1 1   -3   -4    6 o  562.971   37.233  4130.69  520.488  4130.69  520.488   0.0000   0.0000  562.971   37.233  ?   ?  0.000000 37.23349 
1 1 1   -3   -4    7 f  395.466   18.918  1974.77  186.828  1808.58  263.945  2141.65  264.487  374.854   28.408  409.031   26.029 -34.17697 38.52962 
1 1 1   -3   -4    8 o  554.740   25.290  3918.88  350.334  3944.96  495.656  3892.84  495.239  549.878   36.301  546.073   36.528 3.805237 51.49780 
1 1 1   -3   -4    9 o  323.773   16.586  1322.15  133.649  1288.11  189.187  1356.06  188.830  317.825   24.014  326.332   23.326 -8.507019 33.47796 
1 1 1   -3   -4   10 o  248.429   14.149  776.512   87.414  727.950  123.810  824.782  123.437  239.405   20.920  255.205   19.517 -15.80075 28.61008 
1 1 1   -3   -4   11 o  481.191   22.219  2916.75  266.986  2726.25  377.533  3107.34  377.616  461.673   32.964  493.763   30.779 -32.08966 45.09896 
1 1 1   -3   -4   12 o  676.508   43.405  5904.56  729.407   0.0000   0.0000  5904.56  729.407  ?   ?   676.508   43.405 0.000000 43.40544 
1 1 1   -3   -4   13 o  760.979   33.438  7346.78  635.414  7454.72  899.138  7239.09  898.087  759.024   47.680  747.549   48.368 11.47510 67.91785 
1 1 1   -3   -4   14 f  1063.74   46.502 14553.67  1235.27 14346.09  1747.01 14761.23  1746.86  1037.43   67.808  1053.40   66.752 -15.97571 95.15163 
1 1 1   -3   -4   15 o  663.059   29.456  5556.14  487.732  5357.40  689.917  5754.70  689.596  645.385   43.055  669.692   41.439 -24.30762 59.75737 
1 1 1   -3   -4   16 o  453.721   21.183  2587.27  240.008  2621.32  340.010  2553.46  338.838  454.222   30.147  448.198   30.455 6.023621 42.85265 
1 1 1   -3   -4   17 o  382.399   18.717  1835.95  178.729  1789.89  253.555  1881.44  251.975  375.466   27.228  385.194   26.354 -9.727966 37.89304 
1 1 1   -3   -4   18 o  522.864   34.576  3500.80  448.901  3500.80  448.901   0.0000   0.0000  522.864   34.576  ?   ?  0.000000 34.57558 
1 1 1   -3   -4   19 o  357.662   17.822  1607.99  159.180  1595.63  226.486  1620.06  223.767  354.093   25.791  356.941   25.268 -2.848206 36.10586 
1 1 1   -3   -4   20 f  469.125   21.872  2781.24  256.233  2816.47  363.773  2746.55  360.981  468.193   31.294  462.251   31.459 5.941040 44.37346 
1 1 1   -3   -4   21 o  115.471   16.418  171.121   46.008   0.0000   0.0000  171.121   46.008  ?   ?   115.471   16.418 0.000000 16.41783 
1 1 1   -3   -4   22 o  292.336   15.980  1080.15  116.214  1043.22  166.666  1115.09  162.132  285.240   23.611  295.420   22.138 -10.18018 32.36623 
1 1 1   -3   -4   23 o  253.118   14.548  809.887   91.566  827.848  132.397  793.420  126.773  254.242   21.043  249.003   20.572 5.238602 29.42804 
1 1 1   -3   -4   24 o  248.849   14.358  783.662   88.846  819.836  129.092  751.107  122.465  252.788   20.630  241.945   20.461 10.84259 29.05602 
1 1 1   -3   -4   25 o  205.930   13.187  536.689   67.460  583.945  100.046  497.290   91.351  213.361   18.975  196.814   18.816 16.54732 26.72287 
1 1 1   -3   -4   26 o   98.127   22.520  128.516   54.015  128.516   54.015   0.0000   0.0000   98.127   22.520  ?   ?  0.000000 22.52018 
1 1 1   -3   -4   27 o  360.074   17.910  1651.16  161.040  1727.63  231.740  1579.74  223.950  363.794   25.674  347.620   25.986 16.17346 36.53010 
1 1 1   -3   -4   28 o   75.788   15.477   75.394   28.300   27.265   53.197   94.391   33.422   60.141   23.827   84.838   16.369 -24.69725 28.90823 
1 1 1   -3   -4   29 o  220.993   13.639  619.720   74.898  707.711  114.004  552.899   99.346  234.269   19.669  206.957   19.451 27.31177 27.66294 
1 1 1   -3   -4   30 o  318.303   24.075  1323.80  189.947   0.0000   0.0000  1323.80  189.947  ?   ?   318.303   24.075 0.000000 24.07482 
1 1 1   -3   -4   31 o  333.711   18.231  1429.55  151.352  1346.69  220.501  1503.36  208.123  318.013   28.054  338.379   24.803 -20.36609 37.44580 
1 1 1   -3   -4   32 o  148.597   13.971  282.518   51.232  270.411   87.034  288.937   63.376  141.514   25.570  149.348   17.314 -7.833694 30.88040 
1 1 1   -3   -4   33 o  191.157   15.043  468.711   71.230  381.639  113.007  526.109   91.751  166.903   28.113  201.283   18.459 -34.38031 33.63157 
1 1 1   -3   -4   34 o   69.008   27.248   42.918   69.348   42.918   69.348   0.0000   0.0000   69.008   27.248  ?   ?  0.000000 27.24813 
1 1 1   -3   -4   35 o   77.723   16.499   80.960   31.033   47.843   74.523   87.907   34.134   71.066   28.187   80.812   17.427 -9.745766 33.13951 
1 1 1   -3   -4   36 o   59.011   16.694   46.794   25.703   57.749   75.729   45.368   27.325   73.010   28.584   58.315   17.425 14.69567 33.47596 
1 1 1   -3   -4   37 o   52.360   16.547   36.024   24.217   81.404   80.871   31.554   25.381   78.934   29.887   50.135   17.003 28.79967 34.38538 
1 1 1   -3   -4   38 o  120.233   17.738  197.251   51.657  185.012  244.585  197.822   52.849  104.064   46.402  120.164   18.180 -16.09933 49.83600 
1 1 1   -3   -4   39 o   83.774   17.420   97.746   35.255   39.128   94.616  107.197   37.991   69.719   30.017   87.559   17.977 -17.83979 34.98837 
1 1 1   -3   -4   40 o   68.419   29.543   40.415   92.193   40.415   92.193   0.0000   0.0000   68.419   29.543  ?   ?  0.000000 29.54273 
1 1 1   -3   -4   41 o  127.070   15.684  221.477   48.711  314.309  115.523  201.403   53.720  130.436   34.816  118.950   18.702 11.48611 39.52158 
1 1 1   -3   -4   42 o   90.195   36.559  175.136  128.207  175.136  128.207   0.0000   0.0000   90.195   36.559  ?   ?  0.000000 36.55882 
1 1 1   -3   -3    1 o  322.180   16.381  1304.44  131.360  1305.54  185.800  1303.33  185.743  321.260   23.319  320.984   23.332 0.2763062 32.98745 
1 1 1   -3   -3    2 o  173.240   16.965  379.931   72.452   0.0000   0.0000  379.931   72.452  ?   ?   173.240   16.965 0.000000 16.96522 
1 1 1   -3   -3    3 o  605.529   27.087  4632.75  409.594  4641.80  579.309  4623.70  579.197  601.258   38.790  600.051   38.862 1.207214 54.90853 
1 1 1   -3   -3    4 o  354.787   17.474  1580.20  154.810  1572.61  218.958  1587.79  218.912  352.069   25.068  353.799   24.937 -1.730255 35.35960 
1 1 1   -3   -3    5 o  551.842   25.008  3851.01  344.625  3851.92  487.448  3850.09  487.300  547.188   35.872  547.059   35.869 0.1291504 50.72850 
1 1 1   -3   -3    6 o  286.974   15.275  1037.06  109.070  997.484  154.279  1076.61  154.219  280.093   22.240  291.254   21.353 -11.16104 30.83131 
1 1 1   -3   -3    7 o  696.407   31.076  6225.62  540.425  5921.60  763.816  6530.38  764.738  667.015   46.140  702.718   43.797 -35.70221 63.61694 
1 1 1   -3   -3    8 o  289.730   22.071  1070.05  158.488  1070.05  158.488   0.0000   0.0000  289.730   22.071  ?   ?  0.000000 22.07146 
1 1 1   -3   -3    9 o  126.254   11.193  201.331   34.924  187.173   49.607  215.244   49.175  120.774   16.912  129.932   15.459 -9.158394 22.91281 
1 1 1   -3   -3   10 o  145.457   11.556  266.750   41.628  236.836   59.045  296.314   58.698  136.034   17.809  152.786   15.604 -16.75267 23.67778 
1 1 1   -3   -3   11 o  264.527   14.607  880.207   96.118  878.107  136.276  882.286  135.590  263.194   20.907  263.853   20.746 -0.6587524 29.45306 
1 1 1   -3   -3   12 o  326.831   16.655  1343.39  135.481  1347.08  192.026  1339.74  191.176  326.077   23.746  325.190   23.705 0.8869324 33.55299 
1 1 1   -3   -3   13 o  404.612   27.727  2076.90  278.465   0.0000   0.0000  2076.90  278.465  ?   ?   404.612   27.727 0.000000 27.72735 
1 1 1   -3   -3   14 o  586.098   26.346  4330.64  385.604  4221.37  545.547  4439.73  545.106  574.419   38.251  589.522   37.219 -15.10339 53.37036 
1 1 1   -3   -3   15 o  257.325   14.440  831.720   92.413  841.729  131.248  821.878  130.143  258.097   20.534  255.004   20.613 3.092545 29.09542 
1 1 1   -3   -3   16 o  584.689   26.256  4309.53  383.362  4347.85  542.789  4271.40  541.526  583.282   37.463  578.019   37.724 5.263550 53.16550 
1 1 1   -3   -3   17 o  484.956   21.700  2956.88  262.791  3296.73  373.443  2623.50  369.867  509.769   29.462  453.647   32.873 56.12137 44.14278 
1 1 1   -3   -3   18 o  326.468   24.081  1350.39  194.938  1350.39  194.938   0.0000   0.0000  326.468   24.081  ?   ?  0.000000 24.08134 
1 1 1   -3   -3   19 o  553.841   25.219  3875.43  348.796  3800.18  494.108  3950.18  492.441  543.786   36.600  554.822   35.733 -11.03528 51.15042 
1 1 1   -3   -3   20 o  531.843   24.248  3577.99  322.043  3644.95  456.790  3511.81  454.095  532.235   34.556  522.174   35.027 10.06207 49.20359 
1 1 1   -3   -3   21 o  197.929   12.894  493.377   63.380  531.088   92.467  459.958   87.045  204.533   18.297  190.179   18.565 14.35349 26.06654 
1 1 1   -3   -3   22 o  282.118   15.409  1004.24  108.147  1020.18  155.667  989.371  150.357  282.780   22.223  278.569   21.788 4.211639 31.12212 
1 1 1   -3   -3   23 o  238.267   14.809  717.505   87.677  634.941  127.112  792.437  121.095  222.067   23.267  249.351   19.606 -27.28389 30.42624 
1 1 1   -3   -3   24 o  298.766   15.794  1130.08  117.416  1187.11  168.984  1076.84  163.266  304.150   22.407  289.477   22.769 14.67319 31.94516 
1 1 1   -3   -3   25 o  311.352   16.580  1230.69  128.447  1223.23  184.562  1237.71  178.873  307.556   24.227  309.781   23.293 -2.225647 33.60833 
1 1 1   -3   -3   26 o  317.030   16.527  1277.25  130.388  1328.46  187.976  1229.77  181.015  320.452   23.658  308.241   23.698 12.21106 33.48552 
1 1 1   -3   -3   27 o   70.757   23.359   62.075   47.942   62.075   47.942   0.0000   0.0000   70.757   23.359  ?   ?  0.000000 23.35913 
1 1 1   -3   -3   28 o   75.174   14.836   73.940   26.861   69.870   50.939   75.507   31.614   74.322   24.053   75.621   17.137 -1.299194 29.53378 
1 1 1   -3   -3   29 o  102.162   13.497  134.047   33.591  154.381   60.812  125.118   40.297  107.385   23.343   97.834   17.118 9.550858 28.94688 
1 1 1   -3   -3   30 o  153.225   13.005  298.536   49.289  349.904   81.319  268.705   61.970  164.005   20.289  144.209   17.572 19.79593 26.84005 
1 1 1   -3   -3   31 o   92.497   17.321  112.447   38.539   0.0000   0.0000  112.447   38.539  ?   ?    92.497   17.321 0.000000 17.32142 
1 1 1   -3   -3   32 o  108.949   15.383  153.689   40.687   71.031   76.160  186.701   48.131   79.521   29.220  119.987   16.500 -40.46623 33.55686 
1 1 1   -3   -3   33 f  195.418   14.297  487.562   69.284  505.188  111.821  476.579   88.269  195.460   23.373  191.716   18.674 3.744476 29.91709 
1 1 1   -3   -3   34 o  296.331   17.363  1132.58  127.926  1066.57  191.315  1185.96  172.045  280.811   27.641  299.586   23.177 -18.77539 36.07204 
1 1 1   -3   -3   35 o  194.055   26.018  514.761  122.908  514.761  122.908   0.0000   0.0000  194.055   26.018  ?   ?  0.000000 26.01842 
1 1 1   -3   -3   36 o   80.149   16.006   85.857   30.914  160.078   82.836   73.848   33.321  104.783   30.080   73.748   18.203 31.03513 35.15905 
1 1 1   -3   -3   37 o   47.099   16.120   27.086   22.813   65.726   80.813   23.741   23.780   75.785   29.567   45.637   16.391 30.14777 33.80645 
1 1 1   -3   -3   38 o  149.554   15.144  295.425   55.778  298.873  110.934  294.258   64.528  137.694   32.742  147.729   17.854 -10.03447 37.29301 
1 1 1   -3   -3   39 o  139.842   17.965  266.885   61.285   0.0000   0.0000  266.885   61.285  ?   ?   139.842   17.965 0.000000 17.96502 
1 1 1   -3   -3   40 o   58.526   17.349   47.438   27.169  119.075   94.657   41.007   28.362   86.570   32.429   55.141   17.955 31.42853 37.06836 
1 1 1   -3   -3   41 o   76.945   18.126   84.361   34.255   19.791  100.994   92.755   36.414   66.520   29.727   80.582   18.488 -14.06261 35.00767 
1 1 1   -3   -3   42 o   90.905   17.625  117.608   38.565   81.132  109.058  122.822   41.229   75.833   32.427   92.382   18.516 -16.54807 37.34132 
1 1 1   -3   -3   43 o   71.829   32.908   54.941  133.288   54.941  133.288   0.0000   0.0000   71.829   32.908  ?   ?  0.000000 32.90819 
1 1 1   -3   -2    1 o  361.758   12.183  1637.41  110.058  1602.89  155.609  1671.96  155.683  357.537   17.429  365.191   17.071 -7.653992 24.39655 
1 1 1   -3   -2    2 o  479.755   22.089  2894.03  264.629  2874.85  374.218  2913.21  374.266  475.399   31.704  478.632   31.489 -3.233429 44.68451 
1 1 1   -3   -2    3 o  194.699   17.735  479.453   85.284   0.0000   0.0000  479.453   85.284  ?   ?   194.699   17.735 0.000000 17.73540 
1 1 1   -3   -2    4 o  511.195   23.340  3291.86  297.945  3266.80  421.358  3316.91  421.357  505.828   33.548  509.797   33.281 -3.968140 47.25551 
1 1 1   -3   -2    5 o  995.637   43.805 12806.03  1089.13 12662.88  1540.06 12949.26  1540.46  970.261   63.920  982.042   63.151 -11.78101 89.85426 
1 1 1   -3   -2    6 o  363.720   17.821  1662.87  161.868  1640.98  228.924  1684.76  228.909  359.152   25.694  364.025   25.339 -4.873505 36.08728 
1 1 1   -3   -2    7 o  658.898   29.502  5541.59  485.420  5480.38  686.468  5602.80  686.507  646.321   42.774  653.896   42.268 -7.575317 60.13538 
1 1 1   -3   -2    8 o  339.165   17.097  1452.39  144.341  1435.06  204.196  1469.69  204.062  335.167   24.568  339.306   24.243 -4.139557 34.51556 
1 1 1   -3   -2    9 o  519.503   34.710  3510.20  447.693  3510.20  447.693   0.0000   0.0000  519.503   34.710  ?   ?  0.000000 34.70952 
1 1 1   -3   -2   10 o  215.872   13.148  586.896   70.540  583.679   99.970  590.086   99.548  214.306   18.873  215.525   18.681 -1.218948 26.55499 
1 1 1   -3   -2   11 o  106.103   11.177  142.532   29.169  133.542   41.741  151.113   40.778  101.718   17.035  108.632   15.469 -6.913567 23.01048 
1 1 1   -3   -2   12 o  460.950   21.477  2676.01  247.216  2658.20  349.851  2693.78  349.382  456.333   30.883  459.473   30.626 -3.139893 43.49332 
1 1 1   -3   -2   13 o  507.061   23.240  3237.72  294.266  3090.55  416.232  3384.79  416.079  491.895   34.096  515.399   32.495 -23.50385 47.10007 
1 1 1   -3   -2   14 o  490.277   32.406  3058.93  394.509   0.0000   0.0000  3058.93  394.509  ?   ?   490.277   32.406 0.000000 32.40569 
1 1 1   -3   -2   15 o  899.217   39.298 10308.61  882.437 10083.12  1247.98 10534.08  1247.92  877.619   57.258  898.052   55.924 -20.43213 80.03732 
1 1 1   -3   -2   16 o  316.335   23.270  1265.25  182.533   0.0000   0.0000  1265.25  182.533  ?   ?   316.335   23.270 0.000000 23.27040 
1 1 1   -3   -2   17 o  498.628   33.007  3164.86  408.664  3164.86  408.664   0.0000   0.0000  498.628   33.007  ?   ?  0.000000 33.00671 
1 1 1   -3   -2   18 o  505.408   22.722  3214.15  286.772  3485.11  406.979  2946.94  404.148  523.589   31.269  480.550   33.896 43.03958 46.11604 
1 1 1   -3   -2   19 o  371.975   26.349  1756.25  243.172  1756.25  243.172   0.0000   0.0000  371.975   26.349  ?   ?  0.000000 26.34929 
1 1 1   -3   -2   20 o  300.854   15.834  1138.85  118.543  1172.26  169.281  1106.70  166.055  304.092   22.451  295.374   22.686 8.718140 31.91707 
1 1 1   -3   -2   21 o  758.410   33.492  7372.15  634.299  7665.21  898.733  7081.29  895.345  762.259   47.450  730.969   49.339 31.28998 68.45319 
1 1 1   -3   -2   22 o  211.135   13.222  561.523   69.359  605.009  101.007  522.723   95.409  218.264   18.713  202.696   19.074 15.56828 26.72022 
1 1 1   -3   -2   23 o  296.360   15.947  1109.27  117.586  1107.80  168.619  1110.65  164.058  294.331   23.128  294.913   22.445 -0.5818481 32.22852 
1 1 1   -3   -2   24 o  292.772   22.405  1098.02  162.563   0.0000   0.0000  1098.02  162.563  ?   ?   292.772   22.405 0.000000 22.40524 
1 1 1   -3   -2   25 o  189.088   13.441  452.419   63.055  415.347   92.815  484.195   85.930  179.361   21.128  194.688   17.874 -15.32704 27.67444 
1 1 1   -3   -2   26 o  479.072   22.274  2939.84  266.476  3083.35  379.754  2800.63  374.020  483.609   31.619  459.916   32.781 23.69238 45.54515 
1 1 1   -3   -2   27 o  205.497   13.682  535.068   69.808  533.430  103.800  536.421   94.326  203.285   20.738  204.486   18.678 -1.200211 27.90968 
1 1 1   -3   -2   28 o  305.200   24.416  1210.80  184.529  1210.80  184.529   0.0000   0.0000  305.200   24.416  ?   ?  0.000000 24.41636 
1 1 1   -3   -2   29 o  168.762   12.846  361.241   53.729  402.916   83.914  332.285   69.946  176.631   19.341  160.666   17.729 15.96513 26.23710 
1 1 1   -3   -2   30 o   98.485   13.252  124.592   31.764  198.050   60.681   96.867   37.279  122.775   20.516   85.656   18.000 37.11912 27.29329 
1 1 1   -3   -2   31 o  201.579   14.943  517.679   74.684  409.531  113.554  600.118   99.144  175.198   26.808  215.999   18.561 -40.80127 32.60633 
1 1 1   -3   -2   32 o  112.605   13.985  162.891   38.479  200.539   74.340  149.113   44.972  121.945   25.244  106.824   17.462 15.12099 30.69484 
1 1 1   -3   -2   33 o  220.551   15.462  621.531   84.620  537.145  131.006  681.944  110.847  200.380   26.857  229.558   19.522 -29.17859 33.20230 
1 1 1   -3   -2   34 o   98.653   15.095  126.629   36.006  171.750   79.418  114.955   40.396  111.294   28.463   93.155   18.017 18.13879 33.68577 
1 1 1   -3   -2   35 o  332.630   17.737  1430.64  146.802  1506.37  219.073  1368.92  197.775  334.484   26.444  320.063   24.942 14.42026 36.35036 
1 1 1   -3   -2   36 o  216.447   14.455  602.958   77.684  749.519  130.514  522.547   96.673  236.753   22.340  198.879   19.726 37.87352 29.80209 
1 1 1   -3   -2   37 o   53.479   17.096   36.881   25.792 -34.6700   77.647   45.755   27.345   55.263   25.243   58.632   17.411 -3.369343 30.66506 
1 1 1   -3   -2   38 o  118.323   15.590  185.461   44.942  146.637   96.390  196.246   50.802   98.174   33.137  120.994   17.307 -22.81933 37.38400 
1 1 1   -3   -2   39 o  105.947   15.767  150.546   40.443  196.441  100.136  141.601   44.209  110.043   33.464  101.632   18.082 8.410759 38.03683 
1 1 1   -3   -2   40 o   61.624   17.295   52.623   27.701   64.575  108.379   51.787   28.653   77.397   32.679   61.148   17.731 16.24936 37.17966 
1 1 1   -3   -2   41 o   64.447   17.741   58.422   29.455   21.155   99.342   62.015   30.842   67.312   29.817   66.264   18.118 1.048592 34.89046 
1 1 1   -3   -2   42 o  108.844   16.391  163.470   43.170  196.393  111.105  157.616   46.851  102.045   35.540  105.560   18.445 -3.515327 40.04087 
1 1 1   -3   -2   43 o  124.055   16.959  215.649   51.160  158.260  125.788  227.024   56.001   89.091   36.177  126.249   18.296 -37.15733 40.54054 
1 1 1   -3   -1    1 o  411.137   12.854  2115.29  131.972  2117.66  186.635  2112.92  186.639  410.905   18.189  410.442   18.210 0.4622803 25.73747 
1 1 1   -3   -1    2 o  581.729   18.332  4245.18  266.301  4208.52  376.560  4281.86  376.651  577.827   26.097  582.886   25.876 -5.059265 36.75093 
1 1 1   -3   -1    3 o  425.077   16.103  2264.57  170.937  2404.11  296.355  2195.00  209.254  435.605   27.383  418.066   20.044 17.53842 33.93508 
1 1 1   -3   -1    4 o  622.899   40.103  4982.99  620.485   0.0000   0.0000  4982.99  620.485  ?   ?   622.899   40.103 0.000000 40.10306 
1 1 1   -3   -1    5 o  701.949   31.055  6252.03  544.367  6281.06  769.945  6223.01  769.759  696.478   44.502  693.121   44.711 3.356445 63.08326 
1 1 1   -3   -1    6 o  387.705   18.680  1889.31  180.856  1883.54  255.791  1895.07  255.746  384.883   26.781  386.090   26.690 -1.206635 37.80928 
1 1 1   -3   -1    7 o  733.903   32.593  6887.97  597.331  6794.19  844.670  6981.78  844.838  718.201   47.363  728.625   46.678 -10.42407 66.49812 
1 1 1   -3   -1    8 o  626.433   28.184  5005.77  440.895  4952.03  623.497  5059.51  623.542  614.778   40.845  621.766   40.378 -6.988281 57.43468 
1 1 1   -3   -1    9 o  567.327   25.802  4100.63  365.542  4020.70  516.906  4180.59  517.002  554.515   37.550  565.992   36.778 -11.47675 52.56132 
1 1 1   -3   -1   10 o  374.417   26.389  1795.60  245.157  1795.60  245.157   0.0000   0.0000  374.417   26.389  ?   ?  0.000000 26.38921 
1 1 1   -3   -1   11 o  177.618   12.200  397.307   53.784  376.115   76.223  418.321   75.903  171.904   18.024  181.579   16.935 -9.675110 24.73176 
1 1 1   -3   -1   12 o  515.712   23.619  3360.13  304.170  3353.10  430.369  3367.15  429.954  510.964   33.922  512.081   33.813 -1.117401 47.89567 
1 1 1   -3   -1   13 o  966.721   42.453 12027.45  1024.85 12104.14  1449.78 11950.84  1448.95  952.979   61.245  946.524   61.638 6.455078 86.89187 
1 1 1   -3   -1   14 o  610.132   27.316  4699.55  416.184  4616.30  588.816  4782.66  588.332  599.911   39.526  610.976   38.762 -11.06415 55.36030 
1 1 1   -3   -1   15 o  726.567   46.324  6809.81  836.118   0.0000   0.0000  6809.81  836.118  ?   ?   726.567   46.324 0.000000 46.32446 
1 1 1   -3   -1   16 o  409.612   19.529  2105.57  199.763  2124.11  283.042  2087.16  281.975  409.427   27.849  405.804   27.997 3.623627 39.48924 
1 1 1   -3   -1   17 o  422.934   19.989  2245.46  211.107  2299.89  299.247  2191.53  297.859  425.977   28.292  415.646   28.876 10.33102 40.42651 
1 1 1   -3   -1   18 o  172.166   12.522  372.874   53.466  374.129   76.707  371.689   74.564  171.753   18.160  171.255   17.690 0.4990234 25.35229 
1 1 1   -3   -1   19 o  537.686   24.527  3643.55  329.323  3575.51  466.500  3711.14  464.971  528.836   35.531  539.094   34.724 -10.25854 49.68101 
1 1 1   -3   -1   20 f  421.327   28.974  2259.69  302.991  2259.69  302.991   0.0000   0.0000  421.327   28.974  ?   ?  0.000000 28.97394 
1 1 1   -3   -1   21 o  265.767   14.702  888.617   97.195  931.174  139.449  848.411  135.542  271.082   20.758  258.605   21.174 12.47668 29.65179 
1 1 1   -3   -1   22 o  171.572   12.189  370.774   51.883  430.170   76.911  321.174   70.283  184.187   16.911  158.730   18.053 25.45728 24.73578 
1 1 1   -3   -1   23 o  365.503   18.547  1689.68  168.727  1586.30  240.250  1790.31  237.016  351.374   27.603  374.153   25.520 -22.77844 37.59216 
1 1 1   -3   -1   24 f  349.953   18.145  1551.52  158.027  1422.54  225.233  1676.57  221.776  331.967   27.415  361.637   24.706 -29.66910 36.90478 
1 1 1   -3   -1   25 o  266.645   21.224  910.262  140.151   0.0000   0.0000  910.262  140.151  ?   ?   266.645   21.224 0.000000 21.22380 
1 1 1   -3   -1   26 o  471.800   22.340  2846.85  263.201  2855.06  374.789  2838.86  369.709  465.444   32.448  464.393   32.077 1.051514 45.62717 
1 1 1   -3   -1   27 f  277.776   15.632  978.856  107.995  964.765  156.446  991.682  149.264  273.222   23.147  277.592   21.705 -4.370026 31.73197 
1 1 1   -3   -1   28 o  340.928   17.884  1481.24  151.723  1432.57  218.054  1526.93  211.245  331.251   26.585  342.987   24.832 -11.73599 36.37792 
1 1 1   -3   -1   29 o  179.913   20.838  419.596   91.886  419.596   91.886   0.0000   0.0000  179.913   20.838  ?   ?  0.000000 20.83773 
1 1 1   -3   -1   30 o  359.667   18.463  1653.05  165.272  1651.91  238.498  1654.10  229.236  354.908   27.115  355.841   25.977 -0.9328613 37.55063 
1 1 1   -3   -1   31 o  180.428   14.021  413.976   62.676  377.212   97.875  439.531   81.602  169.294   23.810  184.923   17.895 -15.62894 29.78441 
1 1 1   -3   -1   32 o  136.214   13.896  237.035   46.606  235.045   82.069  237.982   56.621  132.234   25.780  135.717   17.085 -3.483658 30.92750 
1 1 1   -3   -1   33 o  171.599   14.341  375.633   60.892  346.425  100.975  392.325   76.333  160.916   26.016  174.430   17.773 -13.51363 31.50714 
1 1 1   -3   -1   34 o  339.329   25.378  1519.23  213.489   0.0000   0.0000  1519.23  213.489  ?   ?   339.329   25.378 0.000000 25.37809 
1 1 1   -3   -1   35 o  115.194   14.778  171.630   41.531  200.858   87.477  163.125   47.188  119.870   29.438  111.488   17.528 8.382690 34.26102 
1 1 1   -3   -1   36 o  157.314   15.223  319.739   59.056  239.193  104.820  357.196   71.481  128.594   32.598  165.464   17.568 -36.86974 37.03071 
1 1 1   -3   -1   37 o  101.281   15.355  134.859   37.618  181.761   89.202  124.713   41.488  111.581   30.936   96.499   17.875 15.08236 35.72918 
1 1 1   -3   -1   38 o  122.580   33.862  231.366  107.088  231.366  107.088   0.0000   0.0000  122.580   33.862  ?   ?  0.000000 33.86250 
1 1 1   -3   -1   39 o  122.350   33.723  237.887  106.345  237.887  106.345   0.0000   0.0000  122.350   33.723  ?   ?  0.000000 33.72255 
1 1 1   -3   -1   40 o   69.517   17.106   66.811   29.494  104.958   98.481   63.052   30.913   85.448   32.830   67.354   18.024 18.09448 37.45284 
1 1 1   -3   -1   41 o   42.179   15.643   19.487   21.915   13.016  103.720   19.789   22.422   67.801   30.226   42.557   15.814 25.24402 34.11282 
1 1 1   -3   -1   42 o  107.859   17.429  161.181   45.343   59.468  116.451  179.358   49.228   75.976   33.004  113.555   17.958 -37.57903 37.57276 
1 1 1   -3   -1   43 o  103.849   17.176  150.880   42.985  139.322  121.554  152.532   45.954   87.898   35.608  103.614   18.436 -15.71674 40.09768 
1 1 1   -3   -1   44 o   79.225   17.887   91.010   34.550  225.703  128.880   80.581   35.863  100.943   37.835   73.716   19.267 27.22719 42.45831 
1 1 1   -3    0    1 o   54.976   7.2781   38.425   9.7462   38.527   13.763   38.322   13.804   54.595   10.476   54.437   10.535 0.1573830 14.85714 
1 1 1   -3    0    2 o  371.764   12.709  1729.51  117.985  1737.71  166.862  1721.31  166.851  372.233   17.951  370.464   18.036 1.768524 25.44658 
1 1 1   -3    0    3 o  382.810   12.866  1834.05  122.997  1834.55  173.948  1833.54  173.939  382.411   18.215  382.306   18.219 0.1049194 25.76329 
1 1 1   -3    0    4 o  521.136   23.683  3419.42  308.202  3354.73  435.690  3484.22  436.036  512.788   34.221  522.838   33.574 -10.05048 47.94059 
1 1 1   -3    0    5 o  338.211   24.221  1448.80  203.213   0.0000   0.0000  1448.80  203.213  ?   ?   338.211   24.221 0.000000 24.22137 
1 1 1   -3    0    6 o  503.865   23.075  3199.83  290.334  3174.41  410.587  3225.25  410.602  498.343   33.183  502.431   32.908 -4.087616 46.73375 
1 1 1   -3    0    7 o  905.786   39.994 10582.91  904.621 10594.66  1279.39 10571.15  1279.27  889.317   57.926  888.259   57.991 1.057678 81.96554 
1 1 1   -3    0    8 o  412.134   19.634  2141.30  202.073  2104.95  285.781  2177.66  285.767  405.576   28.396  412.727   27.890 -7.150970 39.80224 
1 1 1   -3    0    9 o  164.649   11.806  341.594   48.219  344.685   68.338  338.529   68.047  164.627   16.861  163.117   16.953 1.509750 23.91020 
1 1 1   -3    0   10 o  548.443   25.040  3828.10  342.939  3759.85  484.963  3896.36  485.014  536.837   36.391  546.969   35.705 -10.13196 50.98162 
1 1 1   -3    0   11 o  215.130   18.823  588.005  100.102  588.005  100.102   0.0000   0.0000  215.130   18.823  ?   ?  0.000000 18.82278 
1 1 1   -3    0   12 o  607.728   27.356  4692.69  415.164  4663.66  587.259  4721.70  587.001  599.111   39.474  603.006   39.195 -3.895142 55.62771 
1 1 1   -3    0   13 o  572.758   25.837  4146.77  369.545  4185.52  522.928  4108.10  522.304  570.721   36.889  565.256   37.210 5.464233 52.39661 
1 1 1   -3    0   14 o  180.285   12.406  408.710   55.510  394.918   78.954  422.192   78.061  176.473   18.176  182.650   17.322 -6.177124 25.10798 
1 1 1   -3    0   15 o  767.083   48.876  7619.54  931.369   0.0000   0.0000  7619.54  931.369  ?   ?   767.083   48.876 0.000000 48.87613 
1 1 1   -3    0   17 o  500.776   23.001  3153.06  287.630  3130.88  407.256  3175.14  406.287  496.129   33.061  499.728   32.738 -3.598663 46.52771 
1 1 1   -3    0   18 o  396.426   19.153  1972.03  189.602  1916.31  268.655  2027.33  267.623  388.742   27.859  400.094   26.943 -11.35248 38.75664 
1 1 1   -3    0   19 o  478.010   22.058  2873.27  263.297  2937.09  373.381  2810.15  371.345  480.602   31.282  469.907   31.834 10.69513 44.63083 
1 1 1   -3    0   20 o  870.669   38.088  9689.98  828.122  9988.53  1172.55  9392.87  1169.74  872.324   54.094  844.529   55.780 27.79547 77.70169 
1 1 1   -3    0   21 o  429.382   29.451  2350.76  313.884  2350.76  313.884   0.0000   0.0000  429.382   29.451  ?   ?  0.000000 29.45150 
1 1 1   -3    0   22 o  559.523   25.432  3966.87  355.349  3997.85  503.833  3936.20  501.256  556.352   36.467  551.974   36.573 4.377869 51.64671 
1 1 1   -3    0   23 o  173.424   12.394  379.010   53.321  428.589   79.175  337.861   72.132  183.693   17.471  162.798   18.047 20.89511 25.11764 
1 1 1   -3    0   24 o  565.012   25.780  4073.49  363.739  4136.48  516.140  4011.34  512.687  561.969   36.986  553.127   37.336 8.841553 52.55417 
1 1 1   -3    0   25 o  283.421   14.881  1014.39  104.956  1142.92  151.863  896.863  145.220  299.444   20.431  264.592   22.183 34.85208 30.15815 
1 1 1   -3    0   26 f  626.317   42.505  5316.46  660.858   0.0000   0.0000  5316.46  660.858  ?   ?   626.317   42.505 0.000000 42.50522 
1 1 1   -3    0   27 o  246.280   14.726  768.209   90.153  757.966  131.635  777.257  123.723  242.540   21.972  246.178   20.307 -3.638229 29.91919 
1 1 1   -3    0   28 o  326.278   17.223  1353.99  139.828  1341.03  201.456  1366.04  194.236  321.340   25.310  324.914   24.111 -3.574005 34.95642 
1 1 1   -3    0   29 o  117.504   13.222  176.234   38.124  186.825   64.940  170.664   47.092  118.757   22.726  114.812   16.934 3.945053 28.34097 
1 1 1   -3    0   30 o  146.867   13.197  274.216   47.883  298.133   77.344  259.352   60.973  151.220   21.053  141.806   17.596 9.414291 27.43822 
1 1 1   -3    0   31 o  159.864   12.640  324.178   50.047  434.977   83.368  261.751   62.578  183.884   18.402  142.315   18.012 41.56882 25.75003 
1 1 1   -3    0   32 o  167.946   12.781  357.875   53.199  494.008   90.188  285.232   65.881  195.895   18.662  148.546   18.137 47.34892 26.02333 
1 1 1   -3    0   33 o  272.715   16.035  948.080  108.721  938.721  163.072  955.568  145.873  267.669   24.674  271.512   21.696 -3.842285 32.85628 
1 1 1   -3    0   34 o  295.676   16.569  1117.16  121.848  1152.86  183.262  1088.87  163.127  296.130   25.016  288.976   22.790 7.153534 33.84108 
1 1 1   -3    0   35 o  309.082   23.797  1256.00  182.258   0.0000   0.0000  1256.00  182.258  ?   ?   309.082   23.797 0.000000 23.79658 
1 1 1   -3    0   36 o  213.508   14.584  583.789   77.295  671.153  129.082  534.953   96.510  224.804   23.334  202.429   19.327 22.37526 30.29822 
1 1 1   -3    0   37 o   51.397   16.765   33.149   24.722   20.569   82.390   34.394   25.917   67.628   28.520   52.390   17.169 15.23793 33.28938 
1 1 1   -3    0   38 o  253.479   21.562  861.976  135.189   0.0000   0.0000  861.976  135.189  ?   ?   253.479   21.562 0.000000 21.56220 
1 1 1   -3    0   39 f   65.719   28.623   9.9307   88.054   9.9307   88.054   0.0000   0.0000   65.719   28.623  ?   ?  0.000000 28.62299 
1 1 1   -3    0   40 o   51.360   16.765   34.190   24.722   49.125   97.429   33.163   25.559   74.305   31.158   50.983   17.064 23.32157 35.52444 
1 1 1   -3    0   41 o   30.357   13.051  -0.1570   17.838   10.161   98.946  -0.5036   18.135   66.880   29.685   30.459   13.127 36.42099 32.45826 
1 1 1   -3    0   42 o  152.830   16.381  315.530   61.543  250.208  134.177  332.934   69.258  115.180   39.095  155.727   18.150 -40.54744 43.10241 
1 1 1   -3    0   43 o   64.988   18.895   60.253   32.499 -132.9823  286.700   62.768   32.709   80.091   39.541   66.264   18.862 13.82705 43.80938 
1 1 1   -3    0   44 f   74.486   18.193   80.127   33.548  146.568  129.146   75.320   34.741   88.140   36.321   71.811   19.057 16.32856 41.01707 
1 1 1   -3    1    1 o  203.754   8.8451  518.920   45.005  526.654   63.647  511.186   63.646  204.776   12.506  201.717   12.700 3.058929 17.82413 
1 1 1   -3    1    2 o  254.178   9.7793  807.744   62.072  808.998   87.787  806.491   87.779  253.825   13.903  253.427   13.924 0.3975830 19.67624 
1 1 1   -3    1    3 o  147.439   7.8624  272.433   28.843  266.367   40.776  278.509   40.805  145.490   11.312  148.813   11.060 -3.323471 15.82033 
1 1 1   -3    1    4 o  960.284   28.988 11657.63  695.123 11651.41  983.037 11663.84  983.069  954.008   41.264  954.529   41.242 -0.5209961 58.34054 
1 1 1   -3    1    5 o  358.050   17.568  1608.48  157.077  1602.28  222.074  1614.69  222.207  355.592   25.172  356.992   25.085 -1.400177 35.53682 
1 1 1   -3    1    6 o  784.785   23.941  7765.98  469.194  7753.03  663.551  7778.92  663.529  780.231   34.057  781.559   33.998 -1.328308 48.12153 
1 1 1   -3    1    7 o  830.788   29.455  8764.85  611.092  9096.15  1059.02  8599.47  748.227  830.980   51.285  819.200   36.576 11.78033 62.99158 
1 1 1   -3    1    8 o  364.073   17.854  1667.47  162.324  1648.47  229.568  1686.46  229.552  359.676   25.729  363.903   25.420 -4.226410 36.16888 
1 1 1   -3    1    9 o  498.065   22.979  3143.24  285.804  3144.98  404.273  3141.50  404.102  493.395   33.002  493.118   33.007 0.2767029 46.67538 
1 1 1   -3    1   10 o  392.290   18.943  1942.52  185.574  1936.80  262.501  1948.24  262.381  388.593   27.223  389.781   27.125 -1.187866 38.43015 
1 1 1   -3    1   11 o  522.534   23.974  3466.80  312.828  3392.78  442.353  3540.85  442.459  511.160   34.863  522.678   34.086 -11.51758 48.75695 
1 1 1   -3    1   12 o  419.533   28.772  2253.67  299.611  2253.67  299.611   0.0000   0.0000  419.533   28.772  ?   ?  0.000000 28.77216 
1 1 1   -3    1   13 o  309.242   16.094  1203.46  123.853  1149.90  175.263  1256.89  175.046  300.917   23.510  314.918   22.405 -14.00034 32.47641 
1 1 1   -3    1   14 o  278.952   15.103  978.012  104.814  973.482  148.587  982.498  147.874  277.350   21.625  278.674   21.413 -1.324066 30.43265 
1 1 1   -3    1   15 o  1121.74   48.802 16247.33  1367.03 15193.62  1931.77 17304.34  1934.78  1060.98   73.362  1138.06   68.397 -77.07117 100.3004 
1 1 1   -3    1   16 f  375.060   18.232  1764.18  170.760  1812.16  242.004  1716.61  240.982  378.441   25.761  368.161   26.387 10.27991 36.87674 
1 1 1   -3    1   17 o  620.634   39.890  4927.96  614.954   0.0000   0.0000  4927.96  614.954  ?   ?   620.634   39.890 0.000000 39.88992 
1 1 1   -3    1   18 o  758.602   33.376  7291.51  632.273  7165.69  894.497  7417.14  893.842  744.677   48.364  758.152   47.451 -13.47498 67.75429 
1 1 1   -3    1   19 o  367.101   18.009  1690.27  165.089  1713.07  234.490  1667.87  232.466  367.838   25.689  362.906   25.820 4.932373 36.42266 
1 1 1   -3    1   20 o  227.471   13.512  650.137   76.409  705.666  109.930  598.236  106.279  236.360   18.780  217.354   19.798 19.00639 27.28786 
1 1 1   -3    1   21 o  192.292   13.055  465.185   62.315  459.800   90.401  470.061   86.017  190.320   19.288  192.640   18.093 -2.319794 26.44540 
1 1 1   -3    1   22 o  519.350   34.540  3465.99  445.401  3465.99  445.401   0.0000   0.0000  519.350   34.540  ?   ?  0.000000 34.54012 
1 1 1   -3    1   23 o  234.862   14.380  694.852   83.933  636.169  120.760  749.692  116.740  223.344   21.935  243.141   19.388 -19.79700 29.27539 
1 1 1   -3    1   24 o  512.594   23.544  3335.38  301.376  3430.35  428.098  3242.07  424.346  514.564   33.499  499.804   34.205 14.76038 47.87620 
1 1 1   -3    1   25 f  297.779   15.788  1120.12  116.979  1173.35  168.299  1070.37  162.709  303.046   22.398  289.279   22.706 13.76709 31.89441 
1 1 1   -3    1   26 o  272.992   15.566  942.941  105.677  896.047  152.344  986.433  146.713  263.919   23.357  277.665   21.322 -13.74579 31.62536 
1 1 1   -3    1   27 o  427.565   29.790  2388.58  316.083   0.0000   0.0000  2388.58  316.083  ?   ?   427.565   29.790 0.000000 29.79003 
1 1 1   -3    1   28 o  321.984   17.593  1318.77  140.918  1181.36  202.378  1448.10  196.337  300.824   27.235  335.026   23.619 -34.20151 36.05034 
1 1 1   -3    1   29 o  236.122   14.130  706.144   82.935  762.399  123.062  659.333  112.258  243.554   20.422  226.498   20.055 17.05598 28.62278 
1 1 1   -3    1   30 o  172.036   13.581  375.673   57.870  351.415   89.526  393.083   75.846  164.038   22.444  175.060   17.588 -11.02226 28.51409 
1 1 1   -3    1   31 o  266.965   14.561  903.600   96.703  1053.69  144.693  782.445  130.000  286.338   20.369  246.183   21.358 40.15535 29.51335 
1 1 1   -3    1   32 o  164.677   22.905  355.517   91.643  355.517   91.643   0.0000   0.0000  164.677   22.905  ?   ?  0.000000 22.90540 
1 1 1   -3    1   33 o  219.613   14.548  613.070   79.333  632.239  123.406  599.568  103.570  220.279   22.763  215.680   19.439 4.598526 29.93305 
1 1 1   -3    1   34 o  192.204   14.729  470.866   70.159  429.327  113.076  496.866   89.461  179.668   25.955  196.355   18.462 -16.68625 31.85138 
1 1 1   -3    1   35 f  219.702   14.437  614.932   78.764  712.610  128.833  556.632   99.531  233.465   22.372  207.288   19.456 26.17648 29.64849 
1 1 1   -3    1   36 o  139.594   17.354  253.373   59.188   0.0000   0.0000  253.373   59.188  ?   ?   139.594   17.354 0.000000 17.35360 
1 1 1   -3    1   37 o  174.738   14.934  393.078   64.539  385.250  115.811  396.604   77.727  166.487   28.905  174.310   18.122 -7.823273 34.11539 
1 1 1   -3    1   38 o  176.306   29.106  438.746  123.674  438.746  123.674   0.0000   0.0000  176.306   29.106  ?   ?  0.000000 29.10637 
1 1 1   -3    1   39 f   73.392   17.087   72.997   30.730   57.739   92.183   74.904   32.594   76.872   31.055   74.192   17.817 2.680206 35.80341 
1 1 1   -3    1   40 o  140.053   34.141  308.574  118.322  308.574  118.322   0.0000   0.0000  140.053   34.141  ?   ?  0.000000 34.14124 
1 1 1   -3    1   41 o  104.402   16.415  147.045   41.384  114.105  110.433  152.427   44.637   88.923   34.599  105.819   17.504 -16.89606 38.77476 
1 1 1   -3    1   42 o   85.510   17.551  101.236   36.221   16.706  116.961  110.203   38.094   71.620   32.000   89.230   17.721 -17.61069 36.57909 
1 1 1   -3    1   43 o   85.594   17.282  101.993   35.666  171.316  128.811   96.237   37.118   97.587   37.535   82.534   18.470 15.05324 41.83306 
1 1 1   -3    1   44 o   83.376   19.167  100.234   39.071 -141.0040  307.274  104.199   39.391   80.272   39.861   85.134   19.009 -4.861664 44.16127 
1 1 1   -3    1   45 o   48.543   17.167   30.523   25.990   88.210  136.202   28.344   26.476   78.326   34.794   47.583   17.267 30.74309 38.84308 
1 1 1   -3    2    1 o  385.032   12.600  1855.24  121.145  1831.70  171.274  1878.81  171.375  382.135   17.948  387.039   17.731 -4.903931 25.22978 
1 1 1   -3    2    2 o  189.799   8.5862  450.263   40.695  445.098   57.552  455.428   57.552  188.202   12.314  190.397   12.168 -2.195297 17.31157 
1 1 1   -3    2    3 o  142.141   7.5432  253.186   26.679  243.215   37.701  263.188   37.759  139.017   10.949  144.687   10.522 -5.670242 15.18532 
1 1 1   -3    2    4 o  1028.04   31.290 13390.59  803.286 13417.72  1136.04 13363.46  1136.00  1021.49   44.536  1019.36   44.627 2.128479 63.04784 
1 1 1   -3    2    5 o  333.866   16.805  1401.49  139.661  1423.65  197.524  1379.34  197.496  335.353   23.740  329.992   24.134 5.360748 33.85319 
1 1 1   -3    2    6 o  289.067   14.718  1049.90  105.892  860.664  149.308  1241.41  150.203  260.337   23.210  313.735   19.265 -53.39780 30.16373 
1 1 1   -3    2    7 f   86.763   7.3163   94.757   15.704  107.034   22.232   82.531   22.185   91.980   9.8313   80.412   11.365 11.56812 15.02716 
1 1 1   -3    2    8 o  809.329   28.681  8333.29  579.651  7722.82  1003.07  8639.36  710.250  760.629   53.143  820.554   34.662 -59.92542 63.44757 
1 1 1   -3    2    9 f  544.238   19.888  3737.95  270.290  3914.07  468.568  3650.12  330.890  550.229   34.272  536.260   24.709 13.96887 42.25057 
1 1 1   -3    2   10 o  282.263   15.160  1004.49  106.465  998.256  150.604  1010.71  150.525  279.970   21.711  281.760   21.557 -1.790100 30.59531 
1 1 1   -3    2   11 o  512.835   23.600  3338.52  302.226  3320.28  427.461  3356.74  427.364  505.961   34.030  508.856   33.825 -2.895721 47.98064 
1 1 1   -3    2   12 o  522.233   23.928  3456.80  312.049  3496.59  441.481  3417.07  441.127  520.202   34.175  514.031   34.566 6.170837 48.60856 
1 1 1   -3    2   13 o  568.191   37.229  4166.11  525.309  4166.11  525.309   0.0000   0.0000  568.191   37.229  ?   ?  0.000000 37.22866 
1 1 1   -3    2   14 o  432.436   29.293  2379.46  314.465   0.0000   0.0000  2379.46  314.465  ?   ?   432.436   29.293 0.000000 29.29337 
1 1 1   -3    2   15 o  171.966   12.268  371.923   52.337  355.295   74.143  388.439   73.890  167.332   18.028  175.179   17.109 -7.847260 24.85434 
1 1 1   -3    2   16 o  585.498   26.300  4320.18  384.526  4302.71  544.066  4337.62  543.539  580.327   37.748  582.754   37.550 -2.427734 53.24422 
1 1 1   -3    2   17 o  214.518   13.157  578.023   70.140  628.253   99.864  529.120   98.536  223.118   18.079  204.432   19.540 18.68581 26.62041 
1 1 1   -3    2   18 o  482.868   31.998  2962.35  383.651   0.0000   0.0000  2962.35  383.651  ?   ?   482.868   31.998 0.000000 31.99819 
1 1 1   -3    2   19 o  211.768   13.441  563.557   70.709  535.499  101.412  590.101   98.641  205.582   20.007  216.122   18.454 -10.54015 27.21849 
1 1 1   -3    2   20 o  508.929   23.187  3259.36  294.679  3378.96  417.877  3141.06  415.611  515.231   32.647  496.368   33.730 18.86276 46.94209 
1 1 1   -3    2   21 o  586.873   26.550  4350.30  389.105  4160.43  550.877  4539.34  549.680  568.925   39.010  595.146   37.172 -26.22119 53.88475 
1 1 1   -3    2   22 o  275.574   15.313  955.417  104.960  937.168  150.377  972.754  146.569  271.759   22.357  277.096   21.346 -5.337708 30.91114 
1 1 1   -3    2   23 o  488.661   32.895  3068.82  399.079  3068.82  399.079   0.0000   0.0000  488.661   32.895  ?   ?  0.000000 32.89543 
1 1 1   -3    2   24 o  121.909   12.330  188.227   37.020  216.472   57.011  167.635   48.679  129.874   18.068  114.075   17.659 15.79968 25.26448 
1 1 1   -3    2   25 o  456.911   21.710  2647.39  247.706  2595.54  352.130  2698.18  348.516  447.523   31.715  456.831   30.729 -9.307892 44.15979 
1 1 1   -3    2   26 o  565.231   26.013  4094.65  367.164  4092.60  521.148  4096.67  517.370  556.159   37.748  556.696   37.434 -0.5370483 53.16179 
1 1 1   -3    2   27 f  226.559   13.978  648.883   78.695  665.926  115.335  634.036  107.646  227.945   20.480  222.633   19.561 5.312073 28.32092 
1 1 1   -3    2   28 o  438.053   30.459  2515.57  331.115   0.0000   0.0000  2515.57  331.115  ?   ?   438.053   30.459 0.000000 30.45866 
1 1 1   -3    2   29 o  275.675   15.474  963.709  106.097  985.039  154.983  944.897  145.548  276.329   22.659  270.967   21.692 5.361847 31.36841 
1 1 1   -3    2   30 o  178.835   13.178  405.265   58.436  436.849   90.430  382.620   76.570  184.021   20.001  172.629   18.028 11.39223 26.92664 
1 1 1   -3    2   31 o  233.784   14.430  693.085   83.832  726.721  126.304  666.600  112.078  237.217   21.557  227.677   19.913 9.540924 29.34686 
1 1 1   -3    2   32 o  120.850   13.422  186.496   39.821  232.820   71.438  165.614   47.964  132.954   22.307  112.872   17.590 20.08137 28.40787 
1 1 1   -3    2   33 o  223.908   23.194  653.133  127.805  653.133  127.805   0.0000   0.0000  223.908   23.194  ?   ?  0.000000 23.19370 
1 1 1   -3    2   34 f  506.430   23.008  3314.82  290.967  3633.16  419.318  3019.19  404.085  520.780   32.404  472.475   34.487 48.30502 47.32175 
1 1 1   -3    2   35 o  205.097   14.329  535.494   72.928  602.784  120.417  496.516   91.648  214.644   22.815  196.039   18.958 18.60535 29.66374 
1 1 1   -3    2   36 o  287.753   16.571  1060.46  118.568  1102.08  182.089  1029.82  156.227  288.507   25.538  280.625   22.482 7.881836 34.02413 
1 1 1   -3    2   37 o  335.267   25.430  1499.06  211.320   0.0000   0.0000  1499.06  211.320  ?   ?   335.267   25.430 0.000000 25.42999 
1 1 1   -3    2   38 o  132.020   15.234  226.292   49.301  208.676  101.598  231.718   56.385  119.646   32.955  132.856   17.415 -13.21006 37.27311 
1 1 1   -3    2   39 f  111.629   16.687  164.889   45.087   18.086   98.277  204.025   50.743   71.187   30.620  124.361   16.767 -53.17400 34.91027 
1 1 1   -3    2   40 f  364.851   20.104  1783.18  182.459  1807.43  275.602  1764.26  243.451  350.052   31.878  352.101   27.917 -2.048828 42.37380 
1 1 1   -3    2   41 o  164.149   33.933  423.131  134.500  423.131  134.500   0.0000   0.0000  164.149   33.933  ?   ?  0.000000 33.93329 
1 1 1   -3    2   42 o  125.312   16.228  210.803   49.588  170.209  122.934  218.691   54.193  100.933   37.118  126.934   17.568 -26.00108 41.06573 
1 1 1   -3    2   43 o  113.591   16.637  175.467   45.794  151.695  129.298  178.877   48.968   95.148   37.322  114.080   17.768 -18.93159 41.33505 
1 1 1   -3    2   44 o  169.891   16.196  391.115   67.881  492.448  160.499  369.041   74.910  161.589   39.991  162.870   18.761 -1.281738 44.17329 
1 1 1   -3    2   45 o   89.105   19.202  114.836   41.468   51.223  338.778  115.803   41.782   87.799   43.277   89.445   19.274 -1.646835 47.37514 
1 1 1   -3    3    1 o  201.169   12.585  508.482   62.905  494.197   88.945  522.777   88.977  197.621   18.229  203.376   17.696 -5.755020 25.40560 
1 1 1   -3    3    2 o  179.480   11.873  404.825   52.914  349.464   74.657  460.707   75.007  165.881   18.329  191.074   15.863 -25.19325 24.24045 
1 1 1   -3    3    3 o  152.542   11.250  292.672   42.550  243.022   60.025  342.819   60.326  138.049   17.829  164.764   14.820 -26.71510 23.18413 
1 1 1   -3    3    4 o  412.673   19.210  2138.65  197.961  1892.44  279.529  2386.37  280.392  385.674   29.241  434.133   25.983 -48.45847 39.11762 
1 1 1   -3    3    5 o  557.710   24.997  3923.81  348.136  4190.02  492.762  3658.51  491.917  572.653   34.621  534.047   37.117 38.60522 50.75690 
1 1 1   -3    3    6 o  112.225   10.734  159.006   29.714  168.840   42.015  149.167   42.028  115.103   14.972  107.888   16.092 7.214470 21.97964 
1 1 1   -3    3    7 o  601.753   18.895  4553.21  283.938  4525.30  401.508  4581.12  401.590  597.755   26.898  601.482   26.737 -3.726318 37.92573 
1 1 1   -3    3    8 o  387.475   13.114  1882.07  126.893  1845.83  179.409  1918.34  179.499  382.931   18.762  390.440   18.410 -7.508301 26.28566 
1 1 1   -3    3    9 o  379.192   12.964  1803.45  122.760  1805.89  173.594  1801.01  173.624  378.589   18.362  378.072   18.390 0.5169678 25.98760 
1 1 1   -3    3   10 o  370.581   14.758  1725.86  136.570  1695.47  236.606  1741.05  167.243  363.892   26.213  371.618   18.022 -7.725830 31.81074 
1 1 1   -3    3   11 o  564.817   20.834  4035.17  293.857  4015.99  509.082  4044.76  359.862  554.787   36.958  563.656   25.567 -8.867920 44.93892 
1 1 1   -3    3   12 o  362.495   14.217  1649.68  128.698  1784.87  223.415  1582.54  157.444  374.435   24.021  354.044   17.866 20.39111 29.93614 
1 1 1   -3    3   13 o  781.816   50.876  8097.65  987.863   0.0000   0.0000  8097.65  987.863  ?   ?   781.816   50.876 0.000000 50.87593 
1 1 1   -3    3   14 o  327.521   23.870  1359.79  193.887  1359.79  193.887   0.0000   0.0000  327.521   23.870  ?   ?  0.000000 23.87038 
1 1 1   -3    3   15 o  307.558   16.048  1188.83  122.825  1163.99  173.863  1213.58  173.538  303.247   23.134  309.772   22.589 -6.524597 32.33355 
1 1 1   -3    3   16 o  328.447   16.735  1355.55  136.805  1372.48  193.817  1338.74  193.128  329.453   23.717  325.318   23.941 4.135162 33.70005 
1 1 1   -3    3   17 o  438.678   20.521  2415.90  224.798  2523.74  318.440  2308.77  317.388  446.308   28.725  426.515   29.990 19.79309 41.52723 
1 1 1   -3    3   18 o  462.997   21.546  2692.52  249.118  2691.73  352.740  2693.30  351.873  460.505   30.852  460.661   30.765 -0.1557922 43.57013 
1 1 1   -3    3   19 f  886.645   56.418 10263.92  1242.66   0.0000   0.0000 10263.92  1242.66  ?   ?   886.645   56.418 0.000000 56.41799 
1 1 1   -3    3   20 o  167.711   12.307  353.824   51.181  376.853   74.719  333.468   70.249  172.470   17.595  162.124   17.636 10.34560 24.91229 
1 1 1   -3    3   21 o  628.573   28.086  4994.11  440.851  5022.90  624.403  4965.49  622.515  625.208   40.207  621.561   40.324 3.646729 56.94415 
1 1 1   -3    3   22 o  573.095   25.891  4150.81  370.528  4192.95  525.156  4109.04  522.864  571.320   37.008  565.453   37.237 5.867615 52.49984 
1 1 1   -3    3   23 o  568.120   25.604  4087.04  363.248  4232.83  515.240  3942.98  512.193  573.150   36.185  552.547   37.340 20.60309 51.99605 
1 1 1   -3    3   24 o  201.439   19.748  516.490   98.062  516.490   98.062   0.0000   0.0000  201.439   19.748  ?   ?  0.000000 19.74832 
1 1 1   -3    3   25 o  679.660   30.709  5935.15  521.210  5827.31  738.215  6042.35  735.994  661.653   44.945  674.730   43.920 -13.07758 62.84179 
1 1 1   -3    3   26 o  229.398   13.968  664.134   79.633  686.694  116.233  644.178  109.321  231.934   20.272  224.730   19.678 7.203629 28.25244 
1 1 1   -3    3   27 o  226.986   14.290  651.357   80.584  626.336  117.864  673.320  110.426  220.798   21.655  229.611   19.441 -8.812775 29.10176 
1 1 1   -3    3   28 o  293.676   16.484  1093.93  120.396  1002.52  173.423  1178.98  167.274  278.176   25.240  303.009   22.263 -24.83295 33.65528 
1 1 1   -3    3   29 o  206.498   18.835  546.188   96.055   0.0000   0.0000  546.188   96.055  ?   ?   206.498   18.835 0.000000 18.83462 
1 1 1   -3    3   30 o  125.091   14.067  199.840   43.180  130.434   70.452  241.597   54.646   98.727   27.537  137.220   16.264 -38.49255 31.98102 
1 1 1   -3    3   31 f  236.250   14.407  707.453   84.588  749.945  126.757  673.339  113.575  241.201   21.262  228.856   20.076 12.34560 29.24269 
1 1 1   -3    3   32 o   98.386   14.508  124.849   34.575  137.965   66.223  119.934   40.538  101.270   26.041   95.720   17.608 5.550247 31.43507 
1 1 1   -3    3   33 f  433.091   20.739  2402.47  224.291  2510.82  323.657  2302.36  311.106  436.009   29.907  417.334   30.053 18.67432 42.39834 
1 1 1   -3    3   34 o  305.527   25.776  1222.17  194.821  1222.17  194.821   0.0000   0.0000  305.527   25.776  ?   ?  0.000000 25.77566 
1 1 1   -3    3   35 o  241.970   14.779  744.589   88.873  843.793  140.142  677.856  114.941  254.816   22.247  228.972   20.313 25.84433 30.12542 
1 1 1   -3    3   36 o  408.726   19.963  2149.36  203.758  2288.11  298.964  2029.00  278.444  414.078   29.097  390.096   28.787 23.98151 40.93087 
1 1 1   -3    3   37 o  294.889   15.480  1111.79  113.596  1416.52  180.111  910.513  146.381  329.130   22.041  263.353   22.474 65.77695 31.47835 
1 1 1   -3    3   38 o  118.412   17.311  184.099   49.677   0.0000   0.0000  184.099   49.677  ?   ?   118.412   17.311 0.000000 17.31134 
1 1 1   -3    3   39 o  161.644   15.547  339.295   61.982  271.244  117.253  365.685   73.018  134.757   34.650  166.901   17.794 -32.14397 38.95176 
1 1 1   -3    3   40 o  219.660   16.545  631.548   90.090  543.699  152.340  678.794  111.720  191.341   33.080  225.387   20.059 -34.04591 38.68625 
1 1 1   -3    3   41 o   81.929   17.224   91.378   34.121   85.547  104.270   92.077   36.109   83.844   33.315   81.946   18.126 1.898018 37.92658 
1 1 1   -3    3   42 o  152.368   36.846  384.956  138.660  384.956  138.660   0.0000   0.0000  152.368   36.846  ?   ?  0.000000 36.84642 
1 1 1   -3    3   43 o  123.746   16.628  206.807   50.082  143.747  130.211  217.756   54.256   94.822   37.370  126.434   17.667 -31.61213 41.33579 
1 1 1   -3    3   44 o  212.588   16.757  610.550   88.238  688.022  175.200  584.220  102.137  200.890   36.258  204.427   20.275 -3.537125 41.54203 
1 1 1   -3    3   45 o   88.403   18.376  110.968   39.243 -103.7677  144.002  128.195   40.787   62.653   30.284   95.552   17.747 -32.89891 35.10124 
1 1 1   -3    3   46 o   65.078   19.138   61.767   33.174   86.358  363.823   61.560   33.313   87.640   43.494   64.961   19.200 22.67870 47.54349 
1 1 1   -3    4    1 o  428.958   14.119  2305.20  151.245  2320.01  213.905  2290.38  213.880  429.619   19.938  426.848   20.065 2.770844 28.28694 
1 1 1   -3    4    2 o  292.334   10.675  1069.06   77.929  1093.84  110.248  1044.31  110.170  295.054   15.013  288.234   15.362 6.819672 21.47921 
1 1 1   -3    4    3 o   45.311   11.200   26.708   12.601   25.375   17.670   28.088   17.975   45.219   14.111   47.148   14.143 -1.928642 19.97862 
1 1 1   -3    4    4 o  476.790   21.754  2861.11  259.013  2615.16  365.855  3108.27  366.746  452.501   32.595  494.371   29.847 -41.87012 44.19633 
1 1 1   -3    4    5 o  362.755   17.691  1652.06  160.259  1564.25  226.468  1740.15  226.813  350.939   26.027  370.557   24.652 -19.61792 35.84872 
1 1 1   -3    4    6 o  416.154   19.729  2178.32  205.025  2189.11  290.030  2167.54  289.867  414.695   28.174  412.602   28.304 2.093323 39.93617 
1 1 1   -3    4    7 o  452.099   14.392  2563.14  162.481  2595.48  229.806  2530.82  229.759  453.975   20.271  448.236   20.527 5.739441 28.84890 
1 1 1   -3    4    8 o  370.749   12.688  1722.94  117.469  1703.19  166.081  1742.71  166.172  367.882   18.078  372.159   17.880 -4.276367 25.42714 
1 1 1   -3    4    9 o  446.843   14.735  2508.04  164.417  2482.03  232.474  2534.06  232.568  443.154   21.007  447.829   20.796 -4.675415 29.55995 
1 1 1   -3    4   10 o  358.620   11.987  1612.72  107.351  1603.24  151.782  1622.22  151.851  356.784   17.036  358.906   16.943 -2.121887 24.02669 
1 1 1   -3    4   11 o  566.035   20.699  4051.81  292.574  4259.14  507.234  3948.44  358.158  572.254   35.673  556.835   25.757 15.41949 43.99966 
1 1 1   -3    4   12 o  540.479   19.970  3686.91  269.528  3708.22  467.004  3676.27  330.044  535.019   35.150  538.222   24.556 -3.203003 42.87789 
1 1 1   -3    4   13 o  604.616   22.026  4614.03  332.557  4451.24  575.951  4695.45  407.317  585.659   39.614  608.352   26.812 -22.69305 47.83475 
1 1 1   -3    4   14 o  222.473   13.312  622.156   73.618  642.866  104.527  601.771  103.701  225.433   18.738  217.977   19.249 7.455780 26.86300 
1 1 1   -3    4   15 o  428.858   29.097  2336.33  309.768  2336.33  309.768   0.0000   0.0000  428.858   29.097  ?   ?  0.000000 29.09707 
1 1 1   -3    4   16 o  454.300   21.195  2592.82  240.455  2486.09  340.049  2699.55  340.061  442.277   30.985  461.284   29.679 -19.00723 42.90572 
1 1 1   -3    4   17 o  901.548   39.337 10351.80  885.607 10098.41  1252.21 10605.37  1252.67  879.159   57.352  902.034   55.886 -22.87488 80.07792 
1 1 1   -3    4   18 o  466.623   21.695  2734.95  252.796  2704.64  357.791  2765.16  357.224  461.543   31.227  466.801   30.818 -5.257294 43.87358 
1 1 1   -3    4   19 o  172.757   12.537  375.358   53.717  372.172   76.610  378.440   75.340  171.329   18.184  172.851   17.704 -1.522095 25.37925 
1 1 1   -3    4   20 o  480.175   31.874  2931.26  380.021   0.0000   0.0000  2931.26  380.021  ?   ?   480.175   31.874 0.000000 31.87367 
1 1 1   -3    4   21 o  1000.41   43.393 12850.73  1084.05 13600.53  1535.24 12105.13  1530.93  1014.21   60.900  953.250   64.696 60.95917 88.85016 
1 1 1   -3    4   22 o  611.294   27.436  4726.28  418.814  4741.62  593.286  4711.05  591.303  607.023   39.351  605.056   39.349 1.967651 55.64908 
1 1 1   -3    4   23 f  305.759   15.854  1176.38  120.633  1268.16  172.691  1088.91  168.584  316.395   21.994  292.812   23.247 23.58276 32.00207 
1 1 1   -3    4   24 o  325.887   16.739  1338.50  135.759  1387.32  194.208  1291.84  189.852  330.270   23.705  318.561   24.043 11.70871 33.76379 
1 1 1   -3    4   25 o  160.618   12.484  325.494   49.680  372.011   74.441  288.139   66.708  170.949   17.694  150.135   18.162 20.81367 25.35653 
1 1 1   -3    4   26 o  189.184   19.842  457.675   92.342  457.675   92.342   0.0000   0.0000  189.184   19.842  ?   ?  0.000000 19.84167 
1 1 1   -3    4   27 o  287.796   15.749  1047.47  112.753  1061.89  162.767  1034.17  156.339  287.788   22.836  284.186   22.206 3.601593 31.85317 
1 1 1   -3    4   28 o  217.614   13.719  598.604   74.169  632.716  109.621  569.805  100.724  222.273   19.962  211.014   19.330 11.25851 27.78726 
1 1 1   -3    4   29 o  356.555   18.317  1617.40  162.543  1587.42  233.221  1645.72  226.660  349.495   26.930  356.542   25.628 -7.046539 37.17564 
1 1 1   -3    4   30 o  237.233   14.631  713.087   86.252  716.721  128.386  710.097  116.445  235.684   22.071  235.257   20.011 0.4266510 29.79235 
1 1 1   -3    4   31 o  447.738   20.957  2562.51  234.312  2738.94  337.855  2399.01  325.239  456.697   29.788  426.633   30.734 30.06360 42.80033 
1 1 1   -3    4   32 o  390.379   18.560  1939.47  180.937  2144.81  262.367  1753.24  249.857  406.112   26.008  366.140   27.529 39.97186 37.87109 
1 1 1   -3    4   33 o  353.192   17.974  1590.65  158.001  1671.79  230.561  1518.80  216.953  358.140   25.956  341.460   25.630 16.68039 36.47787 
1 1 1   -3    4   34 f  336.140   17.994  1442.58  150.497  1426.31  220.766  1456.71  205.701  329.723   27.051  334.513   24.801 -4.790314 36.69938 
1 1 1   -3    4   35 o  170.934   25.557  387.501  105.743  387.501  105.743   0.0000   0.0000  170.934   25.557  ?   ?  0.000000 25.55740 
1 1 1   -3    4   36 o  317.022   17.783  1287.07  140.214  1265.63  210.941  1304.05  187.677  309.000   27.629  315.932   23.967 -6.931976 36.57533 
1 1 1   -3    4   37 o  258.041   25.920  884.508  164.764  884.508  164.764   0.0000   0.0000  258.041   25.920  ?   ?  0.000000 25.91997 
1 1 1   -3    4   38 o   98.129   15.868  126.091   37.557  134.838   92.301  124.355   41.114   99.257   32.395   96.945   17.633 2.311829 36.88256 
1 1 1   -3    4   39 o  163.497   15.633  346.301   63.049  282.823  121.433  369.730   73.773  138.190   35.117  168.087   17.849 -29.89619 39.39225 
1 1 1   -3    4   40 o  200.913   15.548  524.330   77.401  543.296  139.781  515.943   92.952  195.264   29.594  197.380   19.097 -2.116013 35.22088 
1 1 1   -3    4   41 o   98.734   15.712  129.612   37.442  225.385  106.374  116.069   40.002  120.509   33.916   92.500   17.965 28.00941 38.38001 
1 1 1   -3    4   42 f  254.631   16.049  854.418  101.526  1080.68  178.829  746.805  123.329  274.781   26.386  233.302   21.407 41.47888 33.97791 
1 1 1   -3    4   43 f   86.412   35.146   98.915  118.960   98.915  118.960   0.0000   0.0000   86.412   35.146  ?   ?  0.000000 35.14606 
1 1 1   -3    4   44 o   89.173   17.499  109.959   37.576  130.393  134.512  108.229   39.134   91.708   37.345   88.037   18.393 3.671219 41.62875 
1 1 1   -3    4   45 o   56.596   17.995   43.915   28.607 -123.7688  139.139   51.315   29.231   60.835   29.493   60.566   18.005 0.2682610 34.55455 
1 1 1   -3    4   46 o  112.400   17.514  176.794   47.557  107.522  161.746  183.348   49.756   84.504   37.703  114.122   18.060 -29.61823 41.80540 
1 1 1   -3    5    1 o  548.503   17.180  3778.11  235.316  3726.97  332.689  3829.31  332.885  543.163   24.528  550.653   24.208 -7.489807 34.46236 
1 1 1   -3    5    2 o  265.117   10.158  879.297   67.251  878.942   95.097  879.652   95.118  264.411   14.457  264.518   14.455 -0.1073303 20.44373 
1 1 1   -3    5    3 o  321.710   11.394  1295.38   91.535  1316.57  129.469  1274.19  129.431  323.953   16.004  318.252   16.341 5.700623 22.87290 
1 1 1   -3    5    4 o   69.220   7.5842   60.607   12.895   69.881   18.262   51.385   18.211   74.055   10.142   63.025   12.009 11.03005 15.71875 
1 1 1   -3    5    5 o  353.079   12.267  1561.14  108.160  1562.07  152.957  1560.21  152.965  352.666   17.368  352.453   17.380 0.2121277 24.57043 
1 1 1   -3    5    6 o  429.179   14.176  2309.53  151.927  2293.29  214.826  2325.78  214.888  426.752   20.159  429.789   20.022 -3.037201 28.41208 
1 1 1   -3    5    7 o  481.787   15.417  2914.24  185.485  2814.86  262.185  3013.83  262.447  472.099   22.239  488.680   21.506 -16.58072 30.93729 
1 1 1   -3    5    8 f  344.841   12.077  1490.39  104.002  1489.38  147.075  1491.39  147.086  344.072   17.117  344.306   17.107 -0.2338257 24.20039 
1 1 1   -3    5    9 o  640.413   20.074  5180.39  321.026  5187.77  453.997  5173.01  454.001  637.141   28.534  636.213   28.576 0.9280396 40.38316 
1 1 1   -3    5   10 o  324.188   10.701  1316.80   86.628  1294.34  122.470  1339.30  122.552  320.833   15.286  326.394   15.036 -5.561859 21.44164 
1 1 1   -3    5   11 o  577.704   18.351  4208.71  264.737  4202.41  374.375  4215.01  374.414  574.372   26.101  575.249   26.064 -0.8766479 36.88664 
1 1 1   -3    5   12 o  256.237   14.269  826.773   90.941   0.0000   0.0000  826.773   90.941  ?   ?   256.237   14.269 0.000000 14.26897 
1 1 1   -3    5   13 o  434.873   29.544  2417.42  318.933  2417.42  318.933   0.0000   0.0000  434.873   29.544  ?   ?  0.000000 29.54402 
1 1 1   -3    5   14 o  507.561   18.792  3237.01  238.184  3199.59  412.645  3255.71  291.679  500.245   33.222  508.231   22.982 -7.986511 40.39624 
1 1 1   -3    5   15 o  214.253   13.003  576.742   69.239  416.808   97.775  737.622   98.063  180.714   22.129  242.020   16.321 -61.30649 27.49647 
1 1 1   -3    5   16 o  401.316   15.417  2017.48  154.499  1730.10  267.282  2161.68  189.335  368.964   29.249  415.138   18.264 -46.17438 34.48267 
1 1 1   -3    5   17 o  819.354   29.130  8474.38  596.028  8366.81  1032.57  8528.13  729.905  803.296   51.750  819.732   35.657 -16.43573 62.84472 
1 1 1   -3    5   18 o  695.224   30.692  6106.93  532.843  6209.27  753.944  6004.80  753.165  695.590   43.625  683.688   44.354 11.90131 62.21287 
1 1 1   -3    5   19 o  305.595   16.022  1173.07  121.845  1205.57  172.702  1140.86  171.932  308.916   22.543  300.378   23.098 8.537933 32.27569 
1 1 1   -3    5   20 o  254.557   14.518  813.999   91.902  802.043  130.797  825.657  129.158  251.842   20.989  255.634   20.403 -3.791168 29.27114 
1 1 1   -3    5   21 o  890.326   56.937 10403.63  1259.25   0.0000   0.0000 10403.63  1259.25  ?   ?   890.326   56.937 0.000000 56.93686 
1 1 1   -3    5   22 o  276.133   14.971  958.367  102.845  1030.16  147.585  890.589  143.396  285.464   20.848  265.143   21.852 20.32123 30.20151 
1 1 1   -3    5   23 o  220.297   13.755  610.536   75.290  609.564  108.637  611.434  104.439  219.195   20.070  219.676   19.232 -0.4810944 27.79690 
1 1 1   -3    5   24 o  249.665   14.708  784.846   91.291  746.683  131.098  820.773  127.198  242.247   21.909  254.417   20.187 -12.17023 29.79081 
1 1 1   -3    5   25 o  379.416   18.757  1814.82  177.713  1786.20  253.081  1842.66  249.602  373.475   27.326  379.641   26.495 -6.165924 38.06129 
1 1 1   -3    5   26 o  357.218   17.758  1609.69  158.409  1673.58  226.275  1548.27  221.838  361.547   25.220  347.502   25.747 14.04492 36.04135 
1 1 1   -3    5   27 o  164.155   19.688  346.089   79.096  346.089   79.096   0.0000   0.0000  164.155   19.688  ?   ?  0.000000 19.68785 
1 1 1   -3    5   28 o  173.763   13.412  382.145   57.748  348.387   86.467  409.325   77.588  164.055   21.634  179.038   17.581 -14.98358 27.87670 
1 1 1   -3    5   29 o  401.100   19.813  2046.15  198.449  2008.84  283.604  2081.93  277.785  392.328   29.156  400.113   27.978 -7.785431 40.40844 
1 1 1   -3    5   30 o  246.814   14.489  771.196   88.907  827.570  131.372  723.558  120.765  253.869   20.908  237.379   20.576 16.49019 29.33505 
1 1 1   -3    5   31 f  347.106   18.485  1535.51  159.652  1425.09  230.121  1637.98  221.680  329.943   28.201  355.527   25.131 -25.58441 37.77360 
1 1 1   -3    5   32 o  275.247   21.815  976.086  148.715   0.0000   0.0000  976.086  148.715  ?   ?   275.247   21.815 0.000000 21.81491 
1 1 1   -3    5   33 o  161.433   13.417  330.893   53.596  392.178   89.733  296.904   66.826  173.880   21.098  151.824   17.975 22.05495 27.71682 
1 1 1   -3    5   34 o  703.909   32.068  6563.26  563.690  6884.06  802.715  6251.17  791.753  698.591   46.276  662.434   48.193 36.15729 66.81328 
1 1 1   -3    5   35 o  498.839   23.447  3214.19  292.079  3338.80  420.626  3098.15  405.892  498.441   33.996  479.989   34.085 18.45212 48.14062 
1 1 1   -3    5   37 o  196.174   14.382  490.641   69.965  592.795  121.396  439.833   85.614  212.406   23.268  184.296   18.869 28.10928 29.95695 
1 1 1   -3    5   38 o  212.335   15.224  577.549   80.189  594.945  134.639  567.987   99.824  210.524   26.176  208.956   19.350 1.568192 32.55152 
1 1 1   -3    5   39 o   79.032   16.858   83.271   32.256   99.291   92.898   81.074   34.396   89.006   32.337   77.724   18.065 11.28249 37.04106 
1 1 1   -3    5   40 o  199.913   15.785  518.332   78.160  483.190  138.319  534.817   94.734  183.531   31.303  201.400   19.063 -17.86929 36.65092 
1 1 1   -3    5   41 o  146.868   17.622  286.055   63.340   0.0000   0.0000  286.055   63.340  ?   ?   146.868   17.622 0.000000 17.62215 
1 1 1   -3    5   42 f  267.773   17.039  947.322  113.344  1015.53  188.936  908.971  141.668  264.022   29.142  257.381   22.261 6.641022 36.67169 
1 1 1   -3    5   43 o  138.477   15.350  254.040   52.186  358.726  130.030  233.940   56.976  148.460   35.545  131.553   17.801 16.90715 39.75321 
1 1 1   -3    5   44 o   68.692   18.059   65.754   31.387   62.009  127.097   65.998   32.391   80.568   34.738   68.735   18.474 11.83306 39.34491 
1 1 1   -3    5   45 o  293.109   20.223  1195.28  147.113  1061.03  245.153  1270.84  183.907  239.001   42.640  294.004   25.296 -55.00313 49.57843 
1 1 1   -3    5   46 o  227.436   17.372  709.593   97.918  889.843  205.454  656.618  111.381  220.661   38.696  214.316   21.084 6.345474 44.06765 
1 1 1   -3    6    1 o  171.814   8.3272  369.202   35.728  381.819   50.511  356.571   50.542  174.196   11.679  168.262   12.110 5.934601 16.82417 
1 1 1   -3    6    2 o  158.181   8.1356  313.713   32.027  302.665   45.226  324.828   45.362  155.004   11.772  160.654   11.381 -5.650604 16.37374 
1 1 1   -3    6    3 o   59.528   7.8138   45.064   11.335   35.488   15.945   54.846   16.116   52.182   12.416   65.430   10.196 -13.24717 16.06600 
1 1 1   -3    6    4 o  170.966   8.2685  365.513   35.301  359.532   49.870  371.519   49.977  169.010   11.892  171.837   11.717 -2.827423 16.69421 
1 1 1   -3    6    5 o  105.142   7.5716  138.927   19.747  133.403   27.889  144.481   27.964  102.630   11.057  106.909   10.615 -4.279007 15.32713 
1 1 1   -3    6    6 o  244.020   9.6623  745.180   58.878  687.489   83.162  803.161   83.372  233.633   14.323  252.739   13.256 -19.10603 19.51601 
1 1 1   -3    6    7 o  340.683   11.991  1454.63  102.011  1436.98  144.242  1472.29  144.289  337.520   17.170  342.115   16.889 -4.594635 24.08454 
1 1 1   -3    6    8 o  225.626   9.1498  637.138   51.552  612.768   72.859  661.570   72.954  220.585   13.289  229.300   12.792 -8.715057 18.44510 
1 1 1   -3    6    9 o  548.969   17.518  3797.56  240.145  3842.35  339.668  3752.80  339.565  549.701   24.744  543.141   25.036 6.559509 35.20047 
1 1 1   -3    6   10 o  424.528   14.066  2263.85  149.117  2281.84  210.899  2245.86  210.867  424.942   19.874  421.539   20.032 3.403076 28.21817 
1 1 1   -3    6   11 o  149.539   7.9921  280.519   29.736  270.402   42.043  290.646   42.064  146.424   11.593  151.891   11.168 -5.466736 16.09752 
1 1 1   -3    6   12 f  146.421   8.5602  269.103   31.163  221.535   37.919  368.082   54.698  132.473   11.579  170.850   12.916 -38.37617 17.34632 
1 1 1   -3    6   13 o  403.003   13.563  2035.82  136.494  2028.66  192.996  2042.99  193.066  401.497   19.249  402.922   19.188 -1.425354 27.17949 
1 1 1   -3    6   14 f  483.434   18.017  2934.69  217.509  3019.09  377.001  2892.57  266.299  486.647   31.187  479.240   22.252 7.407166 38.31127 
1 1 1   -3    6   15 o  791.014   28.028  7905.42  553.631  7383.99  958.207  8166.71  678.308  752.630   51.289  801.810   33.877 -49.18011 61.46708 
1 1 1   -3    6   16 o  315.858   15.913  1253.14  125.115  946.311  176.589  1562.41  177.292  272.793   26.247  352.182   20.244 -79.38919 33.14685 
1 1 1   -3    6   17 o  791.886   27.941  7908.72  552.528  7942.84  957.337  7891.68  676.590  784.046   49.144  789.024   34.339 -4.977844 59.95260 
1 1 1   -3    6   18 o  860.775   30.405  9359.33  653.562  9537.89  1132.71  9270.21  800.198  857.354   53.169  854.094   37.518 3.260498 65.07306 
1 1 1   -3    6   19 o  682.431   24.463  5859.38  416.883  5539.42  721.992  6019.40  510.600  656.498   44.299  690.466   29.613 -33.96808 53.28576 
1 1 1   -3    6   20 o  483.523   18.153  2931.99  219.193  2783.24  380.167  3006.06  268.274  467.696   32.757  489.095   21.965 -21.39948 39.44008 
1 1 1   -3    6   21 o  299.409   15.502  1126.17  115.506  1265.14  164.695  991.637  162.037  316.636   20.947  279.756   23.410 36.87964 31.41339 
1 1 1   -3    6   22 o  379.838   26.565  1830.60  250.393   0.0000   0.0000  1830.60  250.393  ?   ?   379.838   26.565 0.000000 26.56536 
1 1 1   -3    6   23 o  592.296   26.704  4439.48  394.967  4468.27  559.744  4410.93  557.399  588.956   38.266  585.109   38.361 3.847168 54.18373 
1 1 1   -3    6   24 o  498.690   23.054  3142.01  287.095  3163.69  407.188  3120.58  404.850  496.335   33.041  492.910   33.083 3.424683 46.75682 
1 1 1   -3    6   25 o  631.077   28.273  5077.80  445.556  5258.26  631.698  4899.14  628.539  634.504   40.074  611.465   41.407 23.03857 57.62360 
1 1 1   -3    6   26 o  574.449   26.249  4209.31  376.542  4212.39  534.048  4206.27  530.986  567.080   37.931  566.807   37.730 0.2727051 53.50069 
1 1 1   -3    6   27 o  259.956   14.753  853.188   95.377  896.943  137.928  813.093  132.033  265.090   21.008  252.277   21.154 12.81302 29.81267 
1 1 1   -3    6   28 o  235.119   21.251  708.681  123.425  708.681  123.425   0.0000   0.0000  235.119   21.251  ?   ?  0.000000 21.25126 
1 1 1   -3    6   29 o  401.325   19.278  2045.49  193.206  2165.98  276.431  1930.42  270.145  408.749   27.238  385.236   28.279 23.51346 39.26329 
1 1 1   -3    6   30 o  405.065   19.571  2087.19  197.968  2175.02  283.799  2003.93  276.292  408.746   27.972  392.017   28.417 16.72934 39.87399 
1 1 1   -3    6   31 o  194.587   13.892  479.818   67.062  465.015  101.675  491.217   89.222  189.497   21.889  195.812   18.465 -6.315674 28.63681 
1 1 1   -3    6   32 o  246.375   14.976  769.715   91.703  776.162  136.735  764.444  123.629  245.044   22.600  243.909   20.487 1.135056 30.50377 
1 1 1   -3    6   33 o  279.488   22.044  1007.15  152.601   0.0000   0.0000  1007.15  152.601  ?   ?   279.488   22.044 0.000000 22.04365 
1 1 1   -3    6   34 o  129.076   14.242  212.911   45.141  225.233   82.750  207.690   53.861  129.574   26.469  126.734   17.484 2.840431 31.72203 
1 1 1   -3    6   35 o  307.703   16.998  1206.40  130.101  1233.29  194.513  1184.62  175.010  307.297   25.580  302.230   23.370 5.066681 34.64847 
1 1 1   -3    6   36 o  187.417   25.276  463.900  115.277  463.900  115.277   0.0000   0.0000  187.417   25.276  ?   ?  0.000000 25.27573 
1 1 1   -3    6   37 o  255.317   25.533  859.664  160.610  859.664  160.610   0.0000   0.0000  255.317   25.533  ?   ?  0.000000 25.53315 
1 1 1   -3    6   38 o  105.842   15.544  145.563   39.859  164.580   91.247  141.079   44.311  108.792   31.669  103.575   17.772 5.217400 36.31469 
1 1 1   -3    6   39 o   83.974   17.230   93.783   34.919   35.584   93.422  103.234   37.648   74.618   30.834   88.070   17.732 -13.45218 35.56946 
1 1 1   -3    6   40 o  162.219   14.940  340.169   59.839  371.981  117.478  329.024   69.536  161.931   30.162  158.360   17.898 3.571320 35.07238 
1 1 1   -3    6   41 o  104.516   15.761  144.173   39.856  185.363  106.810  137.510   42.959  110.829   34.712  101.371   17.609 9.457695 38.92349 
1 1 1   -3    6   42 o  157.420   17.961  330.396   69.342   0.0000   0.0000  330.396   69.342  ?   ?   157.420   17.961 0.000000 17.96113 
1 1 1   -3    6   43 o  124.709   16.883  208.356   51.226   63.680  125.215  237.438   56.139   82.379   34.973  133.027   17.309 -50.64900 39.02206 
1 1 1   -3    6   44 o   94.540   16.838  121.579   38.294  182.201  127.444  115.563   40.149  103.978   37.860   91.519   18.208 12.45911 42.01127 
1 1 1   -3    6   45 o  399.430   22.797  2259.26  226.447  2327.54  349.768  2210.00  297.124  367.559   38.688  374.190   32.109 -6.630768 50.27626 
1 1 1   -3    6   47 o   47.437   16.983   28.042   25.507   32.731  160.877   27.921   25.834   76.331   35.393   47.468   17.081 28.86330 39.29873 
1 1 1   -3    7    1 o  101.210   7.6533  128.851   19.200  138.235   27.123  119.425   27.184  104.523   10.535   96.945   11.450 7.578041 15.55913 
1 1 1   -3    7    2 o  241.002   9.6283  727.115   57.946  703.775   81.891  750.521   82.005  236.359   13.936  244.174   13.501 -7.815140 19.40363 
1 1 1   -3    7    3 o  316.029   11.307  1251.40   89.232  1211.77  126.085  1291.16  126.302  309.973   16.347  320.479   15.782 -10.50638 22.72178 
1 1 1   -3    7    4 o  363.458   12.251  1656.14  111.193  1615.86  157.150  1696.53  157.353  358.243   17.566  367.145   17.163 -8.902466 24.55888 
1 1 1   -3    7    5 o   77.170   7.6300   75.199   14.511   74.661   20.415   75.750   20.630   76.423   11.016   76.984   11.048 -0.5611725 15.60104 
1 1 1   -3    7    6 o  455.024   14.952  2601.60  169.896  2610.88  240.286  2592.33  240.254  454.393   21.176  452.756   21.250 1.636566 29.99971 
1 1 1   -3    7    7 o  229.270   9.3746  658.021   53.672  622.759   75.816  693.446   75.992  222.297   13.725  234.723   13.016 -12.42635 18.91500 
1 1 1   -3    7    8 o  122.571   7.6904  188.660   23.420  175.940   33.089  201.429   33.152  117.933   11.377  126.357   10.605 -8.423820 15.55282 
1 1 1   -3    7    9 o   59.029   8.2656   44.444   11.850   46.844   16.781   42.057   16.736   60.120   11.598   56.834   12.160 3.286514 16.80374 
1 1 1   -3    7   10 o  272.047   10.369  927.054   70.440  929.528   99.609  924.579   99.625  271.572   14.743  270.839   14.786 0.7330322 20.88036 
1 1 1   -3    7   11 o  130.372   8.9998  213.708   29.121  185.885   50.149  227.861   35.769  120.340   17.175  134.450   10.743 -14.10912 20.25843 
1 1 1   -3    7   12 o  478.228   15.477  2872.10  184.832  2763.33  261.172  2981.23  261.613  467.623   22.366  485.916   21.560 -18.29300 31.06524 
1 1 1   -3    7   13 o  188.982   8.5794  446.589   40.488  429.733   57.184  463.534   57.334  184.813   12.463  192.024   12.017 -7.210938 17.31318 
1 1 1   -3    7   14 o  381.814   13.043  1825.46  124.358  1817.47  175.826  1833.46  175.912  380.424   18.508  382.102   18.436 -1.678284 26.12350 
1 1 1   -3    7   15 o  153.976   8.2225  297.165   31.502  334.618   44.643  260.020   44.458  163.189   11.019  143.600   12.523 19.58925 16.68111 
1 1 1   -3    7   16 o  126.022   9.4173  199.639   29.422   90.153   50.568  255.671   36.175   83.494   23.344  142.631   10.224 -59.13652 25.48496 
1 1 1   -3    7   17 o  466.459   21.449  2732.85  249.842  2887.41  354.023  2579.49  352.643  477.251   29.855  450.582   31.540 26.66864 43.42920 
1 1 1   -3    7   18 o  1095.55   38.235 15262.80  1046.02 15696.73  1812.70 15046.17  1280.78  1089.08   66.977  1082.51   47.380 6.577393 82.04098 
1 1 1   -3    7   19 o  714.794   25.596  6432.87  456.876  6496.78  791.898  6400.98  559.358  710.957   44.834  711.506   31.482 -0.5485840 54.78293 
1 1 1   -3    7   20 o  571.342   20.980  4099.69  299.337  4057.56  519.050  4120.69  366.405  563.772   37.075  571.978   25.653 -8.206299 45.08469 
1 1 1   -3    7   21 o  287.266   12.486  1032.66   89.568  1066.12  156.613  1016.40  109.186  290.427   21.752  284.414   15.431 6.013763 26.66982 
1 1 1   -3    7   22 o  451.804   17.275  2560.88  194.904  2536.85  338.761  2572.77  238.294  446.426   30.571  452.323   21.097 -5.897705 37.14410 
1 1 1   -3    7   23 o  568.193   37.148  4150.51  524.183   0.0000   0.0000  4150.51  524.183  ?   ?   568.193   37.148 0.000000 37.14790 
1 1 1   -3    7   24 o  441.720   20.661  2458.91  227.907  2584.88  323.953  2335.46  320.690  450.009   28.982  427.236   30.254 22.77325 41.89574 
1 1 1   -3    7   25 f  466.158   21.822  2746.51  254.023  2784.52  360.670  2709.10  357.831  465.470   31.210  459.015   31.406 6.454956 44.27641 
1 1 1   -3    7   26 o  378.561   18.898  1808.78  178.650  1687.08  253.928  1928.06  251.390  362.174   28.301  388.141   26.088 -25.96698 38.49081 
1 1 1   -3    7   27 o  283.736   15.740  1017.11  111.085  991.445  159.372  1041.36  154.919  278.237   23.148  285.569   21.891 -7.333008 31.85932 
1 1 1   -3    7   28 o  473.085   22.381  2851.58  264.408  2831.91  375.895  2870.85  371.995  465.298   32.556  468.882   31.961 -3.583618 45.62233 
1 1 1   -3    7   29 o  160.248   20.277  331.440   79.326  331.440   79.326   0.0000   0.0000  160.248   20.277  ?   ?  0.000000 20.27679 
1 1 1   -3    7   30 o   97.210   13.416  121.197   31.700  184.413   55.574   90.707   38.595  119.014   19.365   82.903   19.044 36.11100 27.16012 
1 1 1   -3    7   31 o  236.899   14.559  710.810   85.710  723.553  126.906  700.122  116.222  237.009   21.682  233.609   20.119 3.400497 29.57864 
1 1 1   -3    7   32 o  166.893   13.276  353.147   54.873  391.540   87.013  327.797   70.705  174.081   20.403  159.706   18.045 14.37595 27.23829 
1 1 1   -3    7   33 o  324.482   17.158  1339.10  138.533  1377.38  202.333  1305.32  190.070  325.779   25.063  317.526   24.152 8.252838 34.80641 
1 1 1   -3    7   34 o  159.782   17.710  328.132   69.474   0.0000   0.0000  328.132   69.474  ?   ?   159.782   17.710 0.000000 17.70979 
1 1 1   -3    7   35 o  238.370   20.343  731.678  119.933   0.0000   0.0000  731.678  119.933  ?   ?   238.370   20.343 0.000000 20.34297 
1 1 1   -3    7   36 o  346.658   18.581  1537.19  160.267  1507.74  236.000  1562.40  218.333  338.125   28.208  345.925   25.453 -7.800568 37.99410 
1 1 1   -3    7   37 o  111.476   15.155  160.377   41.095  220.876   89.805  144.353   46.218  127.051   28.951  104.885   18.312 22.16616 34.25621 
1 1 1   -3    7   38 o   69.606   28.748   26.272   81.144   26.272   81.144   0.0000   0.0000   69.606   28.748  ?   ?  0.000000 28.74792 
1 1 1   -3    7   39 o   81.887   17.261   89.140   34.183   69.256   93.433   92.213   36.730   82.275   31.877   83.111   18.201 -0.8358612 36.70741 
1 1 1   -3    7   40 o   79.640   17.344   84.874   33.516   62.939   95.848   87.930   35.775   80.580   31.965   80.905   18.153 -0.3245010 36.76024 
1 1 1   -3    7   41 o   45.006   16.238   22.429   23.365 -37.2727   94.924   26.280   24.106   61.531   28.030   47.338   16.550 14.19372 32.55155 
1 1 1   -3    7   42 o   99.955   16.639  133.419   40.072   85.547  110.899  140.608   42.976   85.945   34.292  102.361   17.438 -16.41539 38.47074 
1 1 1   -3    7   43 o  112.237   17.536  169.722   47.541   0.0000   0.0000  169.722   47.541  ?   ?   112.237   17.536 0.000000 17.53593 
1 1 1   -3    7   44 o   84.005   17.125   96.502   34.707  175.900  126.377   90.025   36.095  103.411   37.694   80.635   18.339 22.77612 41.91892 
1 1 1   -3    7   45 o  337.477   20.996  1576.19  176.065  1489.64  279.841  1632.90  226.516  296.188   38.765  332.132   27.560 -35.94382 47.56370 
1 1 1   -3    7   46 f  123.565   17.185  208.874   51.591  106.250  150.639  222.511   54.912   87.723   37.821  127.221   17.770 -39.49793 41.78743 
1 1 1   -3    7   47 o   78.915   36.156   46.673  160.921   46.673  160.921   0.0000   0.0000   78.915   36.156  ?   ?  0.000000 36.15627 
1 1 1   -3    8    1 o  194.113   8.7701  471.643   42.512  494.710   60.160  448.636   60.082  198.200   12.214  188.622   12.832 9.578461 17.71581 
1 1 1   -3    8    2 o  211.813   12.962  565.282   68.232  607.190   96.409  523.224   96.581  218.707   17.807  202.607   19.323 16.09987 26.27719 
1 1 1   -3    8    3 o   83.917   7.5646   88.798   15.682   85.020   22.105   92.627   22.250   81.612   11.137   85.318   10.677 -3.705925 15.42842 
1 1 1   -3    8    4 o  420.738   13.797  2223.45  144.964  2176.36  204.917  2270.63  205.104  414.963   19.775  423.958   19.373 -8.995270 27.68344 
1 1 1   -3    8    5 o  336.747   11.783  1422.02   99.088  1403.69  140.080  1440.38  140.184  333.397   16.880  338.195   16.599 -4.798187 23.67424 
1 1 1   -3    8    6 o  212.907   9.1084  567.450   48.427  565.691   68.435  569.214   68.536  211.901   12.996  212.565   12.974 -0.6643066 18.36304 
1 1 1   -3    8    7 o  401.724   13.488  2026.52  135.313  2121.13  191.504  1932.19  191.219  409.922   18.708  390.540   19.670 19.38159 27.14601 
1 1 1   -3    8    8 o  180.043   8.4802  405.644   38.127  389.017   53.893  422.304   53.947  175.665   12.365  183.129   11.860 -7.464127 17.13327 
1 1 1   -3    8    9 o  444.909   14.688  2487.60  163.182  2504.10  230.806  2471.12  230.743  444.945   20.773  441.968   20.907 2.977020 29.47189 
1 1 1   -3    8   10 o  184.707   12.095  429.559   55.481   0.0000   0.0000  429.559   55.481  ?   ?   184.707   12.095 0.000000 12.09519 
1 1 1   -3    8   11 o  121.845   11.288  187.551   33.955  187.551   33.955   0.0000   0.0000  121.845   11.288  ?   ?  0.000000 11.28761 
1 1 1   -3    8   12 o  233.405   9.2520  681.494   53.926  648.863   76.162  714.299   76.365  227.112   13.490  238.403   12.875 -11.29039 18.64761 
1 1 1   -3    8   13 o  290.404   10.829  1055.30   78.534  1047.39  111.015  1063.23  111.113  288.577   15.462  290.770   15.357 -2.193329 21.79208 
1 1 1   -3    8   14 o  452.005   14.797  2559.94  167.024  2494.57  236.062  2625.46  236.354  445.374   21.225  456.987   20.711 -11.61316 29.65584 
1 1 1   -3    8   15 o  469.609   15.230  2762.81  178.601  2699.16  252.468  2826.58  252.693  463.352   21.819  474.234   21.338 -10.88150 30.51869 
1 1 1   -3    8   16 o  537.769   16.231  3623.66  217.970  3719.37  308.376  3528.10  308.137  543.908   22.704  529.642   23.298 14.26605 32.53078 
1 1 1   -3    8   17 o  499.403   22.752  3134.77  283.740  3277.95  401.933  2992.53  400.607  508.117   31.837  485.027   33.276 23.08975 46.05372 
1 1 1   -3    8   18 o  454.584   19.662  2592.81  223.197  3151.25  317.397  2046.50  313.929  499.685   25.521  401.127   31.596 98.55887 40.61580 
1 1 1   -3    8   19 o  935.344   32.846 11074.76  767.196 10339.76  1327.91 11443.02  939.945  887.798   60.253  947.783   39.714 -59.98474 72.16411 
1 1 1   -3    8   20 o  480.057   18.122  2890.07  217.250  2675.71  376.513  2997.06  265.996  458.435   33.112  488.383   21.810 -29.94800 39.64952 
1 1 1   -3    8   21 o  458.133   17.484  2632.12  200.027  2544.41  347.187  2675.70  244.726  447.244   31.283  461.431   21.238 -14.18713 37.81159 
1 1 1   -3    8   22 o  448.690   16.975  2525.27  190.198  2066.72  329.477  2754.45  232.929  402.049   33.111  468.203   19.922 -66.15445 38.64256 
1 1 1   -3    8   23 o  308.606   13.256  1192.99  102.154  996.852  178.074  1289.20  124.717  279.702   25.785  320.611   15.577 -40.90976 30.12532 
1 1 1   -3    8   24 o  403.792   27.966  2079.52  280.260   0.0000   0.0000  2079.52  280.260  ?   ?   403.792   27.966 0.000000 27.96634 
1 1 1   -3    8   25 o  407.435   15.401  2085.18  156.694  2398.34  274.642  1934.05  190.795  434.011   25.452  391.685   19.507 42.32635 32.06711 
1 1 1   -3    8   26 o  365.534   14.802  1679.21  135.113  1498.30  235.893  1767.54  164.828  341.403   27.913  374.517   17.624 -33.11374 33.01170 
1 1 1   -3    8   27 o  353.920   14.465  1575.41  127.841  1594.54  224.380  1566.21  155.559  352.457   25.670  351.804   17.764 0.6529236 31.21708 
1 1 1   -3    8   28 o  286.431   15.116  1036.53  107.738  1181.84  155.958  903.868  149.010  304.415   20.638  265.427   22.699 38.98804 30.67875 
1 1 1   -3    8   29 o  332.017   17.116  1397.78  141.429  1450.54  202.931  1347.96  197.212  335.641   24.378  323.405   24.604 12.23615 34.63582 
1 1 1   -3    8   30 o  317.510   24.696  1302.14  194.267  1302.14  194.267   0.0000   0.0000  317.510   24.696  ?   ?  0.000000 24.69567 
1 1 1   -3    8   31 o  209.080   13.868  553.384   71.994  569.001  107.254  540.577   97.126  210.297   20.691  205.363   19.161 4.934158 28.20034 
1 1 1   -3    8   32 o  387.193   19.473  1913.11  187.681  1894.82  269.302  1930.39  261.704  380.683   28.536  384.926   27.405 -4.243378 39.56444 
1 1 1   -3    8   33 o  185.267   14.312  435.737   65.700  376.606  101.067  479.011   86.461  169.373   24.616  193.381   18.115 -24.00792 30.56317 
1 1 1   -3    8   34 o  206.738   13.855  541.646   71.112  622.931  111.541  485.982   92.304  219.924   20.548  194.413   19.266 25.51077 28.16776 
1 1 1   -3    8   35 o  204.996   19.233  540.297   97.304   0.0000   0.0000  540.297   97.304  ?   ?   204.996   19.233 0.000000 19.23283 
1 1 1   -3    8   36 o  168.486   13.578  360.689   56.643  480.278   99.278  302.971   68.970  192.497   20.993  153.162   18.401 39.33502 27.91610 
1 1 1   -3    8   37 o  244.952   15.406  763.927   93.759  800.468  146.775  738.737  121.864  247.420   24.060  239.052   20.616 8.367523 31.68432 
1 1 1   -3    8   38 f  136.892   15.294  240.926   51.388  199.071   99.453  256.170   60.021  119.477   32.480  140.613   17.470 -21.13535 36.88046 
1 1 1   -3    8   39 o   94.023   16.493  116.150   37.312  136.425   90.483  111.996   40.957  100.021   32.025   91.774   18.510 8.247139 36.98966 
1 1 1   -3    8   40 o  183.625   14.862  433.648   67.566  508.972  122.954  401.061   80.872  193.553   26.104  175.025   18.798 18.52824 32.16824 
1 1 1   -3    8   41 o   89.460   16.243  106.225   34.950  172.141   98.923   96.823   37.359  108.483   33.313   84.771   18.193 23.71210 37.95696 
1 1 1   -3    8   42 f   92.170   16.610  113.574   36.825  127.112  104.602  111.659   39.344   95.063   34.348   90.909   17.968 4.153252 38.76375 
1 1 1   -3    8   43 o   90.679   16.540  110.628   36.073  151.862  112.625  105.914   38.079   99.998   35.698   88.185   17.903 11.81314 39.93554 
1 1 1   -3    8   44 o  118.188   17.598  188.630   50.355   0.0000   0.0000  188.630   50.355  ?   ?   118.188   17.598 0.000000 17.59834 
1 1 1   -3    8   45 o  309.339   19.608  1303.04  150.682  1249.94  243.914  1335.81  191.620  277.673   36.025  304.863   25.401 -27.18961 44.08016 
1 1 1   -3    8   46 f  151.666   17.210  312.102   64.027  176.070  157.058  339.215   70.118   99.764   40.455  157.488   18.162 -57.72365 44.34450 
1 1 1   -3    8   47 o  109.536   17.479  166.227   46.203   90.586  159.672  173.140   48.268   84.877   37.690  111.553   17.935 -26.67564 41.73970 
1 1 1   -3    9    1 o  629.939   19.529  5011.98  307.210  5048.03  434.539  4975.95  434.382  628.586   27.683  623.982   27.877 4.603882 39.28721 
1 1 1   -3    9    2 o  447.067   14.516  2511.94  162.059  2580.85  229.247  2443.10  229.124  451.745   20.322  439.368   20.883 12.37668 29.13874 
1 1 1   -3    9    3 o  223.168   9.3718  623.574   52.228  648.860   73.887  598.322   73.836  226.977   13.091  217.846   13.642 9.131409 18.90697 
1 1 1   -3    9    4 o  383.087   18.448  1852.19  176.480  2009.88  249.772  1694.99  249.391  396.420   25.364  363.060   27.717 33.36014 37.57088 
1 1 1   -3    9    5 o  101.007   10.833  129.311   26.898  138.893   37.856  119.542   38.225  104.054   15.002   96.109   16.523 7.945282 22.31741 
1 1 1   -3    9    6 o  246.908   9.6556  763.402   59.534  710.079   84.047  817.100   84.341  237.305   14.249  254.771   13.303 -17.46593 19.49365 
1 1 1   -3    9    7 o  191.130   8.6961  457.170   41.505  473.054   58.695  441.283   58.699  193.829   12.188  187.120   12.636 6.708740 17.55652 
1 1 1   -3    9    8 o  565.870   17.940  4036.09  253.503  4119.33  358.595  3952.94  358.422  569.059   25.235  557.233   25.758 11.82635 36.05885 
1 1 1   -3    9    9 o  213.967   9.1528  572.966   48.905  552.391   69.114  593.597   69.209  209.405   13.286  217.168   12.819 -7.763474 18.46157 
1 1 1   -3    9   10 o  305.632   11.147  1170.02   85.076  1122.28  120.221  1217.92  120.411  298.376   16.196  311.366   15.486 -12.99005 22.40794 
1 1 1   -3    9   11 o  319.644   11.464  1279.51   91.508  1235.77  129.319  1323.38  129.503  313.194   16.594  324.625   15.975 -11.43018 23.03411 
1 1 1   -3    9   12 o  296.248   10.781  1098.31   79.759  1096.32  112.834  1100.31  112.758  295.237   15.357  295.781   15.318 -0.5435791 21.69120 
1 1 1   -3    9   13 o  427.759   14.071  2292.39  150.305  2191.56  212.388  2393.55  212.740  417.474   20.373  436.415   19.521 -18.94070 28.21550 
1 1 1   -3    9   14 o  474.448   15.019  2820.28  177.945  2712.95  251.452  2927.96  251.854  464.469   21.679  482.646   20.896 -18.17624 30.11069 
1 1 1   -3    9   15 o  594.843   18.741  4439.80  278.384  4471.78  393.732  4407.82  393.656  595.527   26.476  591.212   26.664 4.315186 37.57563 
1 1 1   -3    9   16 o  639.304   19.765  5129.46  315.533  4873.87  445.784  5386.08  446.681  621.399   28.728  653.562   27.369 -32.16278 39.67813 
1 1 1   -3    9   17 o  356.907   17.554  1596.77  156.452  1640.77  221.785  1553.20  220.731  360.251   24.805  350.353   25.402 9.897583 35.50385 
1 1 1   -3    9   18 o  372.522   17.885  1739.76  166.378  1878.96  236.219  1602.71  234.380  385.669   24.656  355.715   26.578 29.95398 36.25331 
1 1 1   -3    9   19 o  263.941   11.700  871.371   77.114  990.025  134.631  813.437   94.074  280.250   19.356  254.446   14.870 25.80357 24.40871 
1 1 1   -3    9   20 o  377.836   14.550  1787.59  137.282  1927.21  238.837  1718.70  167.765  390.523   24.617  370.190   18.148 20.33289 30.58326 
1 1 1   -3    9   21 o  303.202   12.560  1150.48   95.098  1262.97  166.445  1095.97  115.873  316.316   21.194  295.321   15.769 20.99475 26.41711 
1 1 1   -3    9   22 o  769.665   27.555  7487.14  529.599  7237.32  917.528  7611.95  648.540  745.237   49.586  773.791   33.563 -28.55365 59.87715 
1 1 1   -3    9   23 o  630.337   22.946  5009.60  361.178  5024.06  626.555  5002.40  442.008  623.716   40.445  628.340   28.170 -4.624023 49.28873 
1 1 1   -3    9   24 o  479.834   17.759  2894.38  212.799  3154.55  370.707  2766.52  259.883  496.968   30.012  468.217   22.227 28.75006 37.34640 
1 1 1   -3    9   25 o  329.573   24.234  1383.42  198.048   0.0000   0.0000  1383.42  198.048  ?   ?   329.573   24.234 0.000000 24.23401 
1 1 1   -3    9   26 o  176.007   10.664  389.508   46.648  331.867   84.971  414.375   55.810  160.509   21.760  181.344   12.399 -20.83437 25.04449 
1 1 1   -3    9   27 o  347.421   14.491  1518.01  125.720  1373.11  220.124  1588.16  153.158  326.407   27.255  354.817   17.286 -28.40994 32.27439 
1 1 1   -3    9   28 o  401.418   15.921  2032.06  159.590  2020.94  279.297  2037.46  194.462  395.103   28.499  400.982   19.420 -5.878937 34.48698 
1 1 1   -3    9   29 o   90.743   10.921  104.817   24.250  102.452   52.473  105.459   27.346   87.991   23.454   90.778   12.386 -2.786667 26.52397 
1 1 1   -3    9   30 o   92.294   10.173  108.151   23.056  253.289   55.124   77.378   25.383  140.721   15.970   77.270   13.654 63.45099 21.01098 
1 1 1   -3    9   31 o   79.783   14.501   82.725   27.827  124.763   54.123   67.620   32.443   96.857   22.762   71.644   18.121 25.21310 29.09444 
1 1 1   -3    9   32 o  291.107   12.446  1066.48   90.475  1246.56  164.775  988.759  108.253  311.697   21.297  279.258   15.586 32.43985 26.39061 
1 1 1   -3    9   33 o  150.651   9.7010  285.944   36.302  523.101   80.337  225.096   40.693  202.716   16.000  133.172   12.378 69.54407 20.22912 
1 1 1   -3    9   34 o  193.191   18.738  479.075   89.259   0.0000   0.0000  479.075   89.259  ?   ?   193.191   18.738 0.000000 18.73751 
1 1 1   -3    9   35 o  211.022   14.940  565.754   78.219  524.521  120.760  595.555  102.666  200.180   24.680  215.326   19.298 -15.14577 31.32937 
1 1 1   -3    9   36 o  105.652   17.983  145.797   45.744   0.0000   0.0000  145.797   45.744  ?   ?   105.652   17.983 0.000000 17.98257 
1 1 1   -3    9   37 o  196.352   15.218  491.416   74.037  426.820  120.120  530.989   94.019  178.656   27.831  203.111   18.748 -24.45456 33.55679 
1 1 1   -3    9   38 o  110.573   15.923  158.480   42.699  133.107   89.600  165.935   48.569   99.795   31.860  112.692   17.854 -12.89662 36.52128 
1 1 1   -3    9   39 f  208.103   14.837  553.557   76.598  619.671  129.398  517.891   95.039  216.168   24.398  199.654   19.303 16.51353 31.11052 
1 1 1   -3    9   40 o  309.612   16.661  1234.26  128.342  1429.78  199.331  1095.81  167.736  327.660   24.540  287.352   23.584 40.30789 34.03491 
1 1 1   -3    9   41 o  112.566   33.652  185.321  101.897  185.321  101.897   0.0000   0.0000  112.566   33.652  ?   ?  0.000000 33.65153 
1 1 1   -3    9   42 o  140.439   16.326  258.936   56.189  130.391  115.890  298.440   64.245   97.210   35.987  150.399   17.429 -53.18972 39.98556 
1 1 1   -3    9   43 f  134.815   15.562  239.132   51.430  262.211  119.021  233.834   57.029  128.781   35.746  132.334   17.701 -3.552933 39.88824 
1 1 1   -3    9   44 o  168.778   16.127  376.654   67.144  351.060  141.193  384.133   76.327  145.207   38.363  169.093   18.372 -23.88614 42.53545 
1 1 1   -3    9   45 o  210.508   20.077  605.728  104.262   0.0000   0.0000  605.728  104.262  ?   ?   210.508   20.077 0.000000 20.07719 
1 1 1   -3    9   46 o  164.237   15.463  359.090   62.672  646.583  162.058  308.532   67.960  200.886   33.484  150.165   18.515 50.72148 38.26183 
1 1 1   -3    9   47 o   89.349   17.589  111.230   37.846  166.816  153.032  107.609   39.060   96.472   39.621   87.408   18.473 9.063972 43.71558 
1 1 1   -3   10    1 o  333.649   11.700  1394.61   97.482  1403.69  137.914  1385.55  137.807  334.178   16.527  331.578   16.697 2.600525 23.49258 
1 1 1   -3   10    2 o  377.810   12.915  1790.03  121.851  1809.96  172.356  1770.12  172.291  379.095   18.207  374.864   18.405 4.230957 25.88872 
1 1 1   -3   10    3 o  205.355   9.0386  527.720   46.351  535.251   65.537  520.184   65.563  206.192   12.791  203.233   12.986 2.959045 18.22801 
1 1 1   -3   10    4 o  474.874   15.190  2833.78  180.135  2873.46  254.762  2794.12  254.738  476.685   21.402  469.974   21.705 6.711426 30.48228 
1 1 1   -3   10    5 o  230.798   9.5045  666.778   54.779  659.621   77.398  673.962   77.540  228.854   13.604  231.355   13.480 -2.500687 19.15151 
1 1 1   -3   10    6 o  368.722   18.006  1712.77  165.792  1798.90  234.535  1626.74  234.396  375.496   25.158  356.571   26.514 18.92468 36.54975 
1 1 1   -3   10    7 o  194.768   12.463  477.557   60.297  435.495   85.110  519.942   85.437  184.974   18.682  202.570   17.048 -17.59584 25.29104 
1 1 1   -3   10    8 o  344.897   11.997  1490.74  103.324  1477.43  146.057  1504.08  146.186  342.708   17.067  345.806   16.929 -3.097992 24.03848 
1 1 1   -3   10    9 o  320.995   16.419  1298.10  131.168   0.0000   0.0000  1298.10  131.168  ?   ?   320.995   16.419 0.000000 16.41851 
1 1 1   -3   10   10 o  202.957   12.773  518.163   64.408  518.163   64.408   0.0000   0.0000  202.957   12.773  ?   ?  0.000000 12.77343 
1 1 1   -3   10   11 o   73.605   8.3300   68.603   15.042   67.465   21.194   69.757   21.350   72.428   12.148   73.697   12.015 -1.269180 17.08661 
1 1 1   -3   10   12 o  184.499   8.6979  425.581   40.074  434.846   56.691  416.329   56.655  185.973   12.276  181.924   12.548 4.048737 17.55400 
1 1 1   -3   10   13 o  101.785   7.9786  130.281   20.117  121.842   28.493  138.669   28.408   97.960   11.891  104.708   11.030 -6.747368 16.21957 
1 1 1   -3   10   14 o  596.646   18.738  4467.57  279.182  4478.00  394.832  4457.15  394.815  595.818   26.537  594.416   26.598 1.402710 37.57214 
1 1 1   -3   10   15 o  244.094   9.8649  744.930   60.131  738.747   84.969  751.133   85.108  242.505   14.092  244.547   13.995 -2.042282 19.86033 
1 1 1   -3   10   16 o  442.075   14.497  2446.85  160.043  2380.52  226.181  2513.36  226.489  435.408   20.802  447.456   20.270 -12.04816 29.04458 
1 1 1   -3   10   17 f  358.276   12.485  1605.92  111.704  1649.10  157.986  1562.75  157.961  362.717   17.442  352.594   18.000 10.12231 25.06454 
1 1 1   -3   10   18 o  625.529   27.782  4934.01  433.977  4655.38  613.293  5213.44  614.181  602.843   40.983  638.966   38.674 -36.12280 56.34937 
1 1 1   -3   10   19 o  380.778   18.289  1818.31  173.908  1421.73  245.701  2216.45  246.185  334.228   29.749  419.142   23.617 -84.91406 37.98399 
1 1 1   -3   10   20 o  226.170   10.525  639.665   59.445  747.677  104.537  588.046   72.267  243.600   17.297  216.334   13.444 27.26534 21.90717 
1 1 1   -3   10   21 o  738.910   26.489  6888.17  488.773  6633.51  846.624  7015.48  598.607  715.500   47.656  743.869   32.225 -28.36884 57.52911 
1 1 1   -3   10   22 o  529.959   19.493  3528.76  257.971  3692.21  448.039  3447.70  315.520  537.837   33.526  522.963   24.160 14.87396 41.32454 
1 1 1   -3   10   23 o  1209.81   43.186 18922.41  1304.70 18838.62  2260.29 18964.28  1597.75  1160.61   78.449  1200.46   53.298 -39.84961 94.84140 
1 1 1   -3   10   24 o  378.113   15.244  1794.21  143.937  1689.65  250.657  1845.65  175.814  363.782   27.803  383.054   18.380 -19.27118 33.32888 
1 1 1   -3   10   25 o  420.514   16.473  2223.21  172.980  2153.94  301.189  2257.31  211.305  409.775   29.633  423.036   20.002 -13.26151 35.75247 
1 1 1   -3   10   26 o  385.808   27.213  1908.21  260.500   0.0000   0.0000  1908.21  260.500  ?   ?   385.808   27.213 0.000000 27.21319 
1 1 1   -3   10   27 o  455.892   17.304  2621.92  197.000  2782.57  343.980  2543.50  240.314  464.116   29.838  447.781   21.491 16.33487 36.77172 
1 1 1   -3   10   28 o  164.438   10.732  340.571   43.826  249.491   80.863  378.454   52.150  137.844   24.384  173.180   12.135 -35.33655 27.23656 
1 1 1   -3   10   29 o   77.714   11.952   77.610   22.451   4.4544   49.727   96.341   25.161   52.495   22.149   86.776   11.927 -34.28130 25.15572 
1 1 1   -3   10   30 o  278.970   12.621  978.905   87.924  968.848  157.059  983.495  106.110  274.261   23.149  278.737   15.303 -4.476044 27.74971 
1 1 1   -3   10   31 o  129.667   10.625  212.479   34.103  175.046   69.117  224.524   39.207  114.599   24.867  133.115   11.921 -18.51613 27.57634 
1 1 1   -3   10   32 o  216.270   14.462  592.748   77.655  558.204  116.487  620.379  104.181  207.555   22.853  220.080   19.147 -12.52556 29.81434 
1 1 1   -3   10   33 o   57.276   13.520   42.998   19.027   58.477   57.304   41.080   20.172   71.750   25.479   56.003   14.357 15.74701 29.24553 
1 1 1   -3   10   34 o  140.519   14.001  251.524   48.475  281.957   82.531  235.496   59.895  146.490   23.345  134.979   18.236 11.51050 29.62324 
1 1 1   -3   10   35 o  214.845   11.878  582.614   63.481  497.694  123.812  612.898   73.939  194.421   26.166  220.029   13.522 -25.60858 29.45370 
1 1 1   -3   10   36 o  167.245   11.148  353.328   46.293  337.492  101.236  357.515   52.055  159.318   26.368  167.990   12.498 -8.671951 29.18026 
1 1 1   -3   10   37 o  211.100   19.405  574.135  101.148   0.0000   0.0000  574.135  101.148  ?   ?   211.100   19.405 0.000000 19.40467 
1 1 1   -3   10   38 o  119.051   11.506  180.241   33.780  150.878   92.739  184.733   36.271  105.383   32.237  120.398   12.234 -15.01499 34.48079 
1 1 1   -3   10   39 o  262.826   12.385  873.404   81.289  1043.33  164.230  818.263   93.552  281.848   23.550  253.291   14.856 28.55684 27.84361 
1 1 1   -3   10   40 o   92.491   11.795  109.946   26.623  199.324   95.720  102.452   27.717  118.471   31.723   88.994   12.844 29.47756 34.22387 
1 1 1   -3   10   41 o  188.559   11.576  452.548   54.244  510.896  129.023  440.020   59.785  192.384   27.651  185.465   12.991 6.919708 30.55047 
1 1 1   -3   10   42 o  156.431   15.005  317.816   57.895  426.784  122.092  286.206   65.758  173.146   29.281  147.001   18.310 26.14505 34.53504 
1 1 1   -3   10   43 o  182.695   11.656  427.744   52.901  525.688  137.225  410.647   57.333  190.297   29.860  178.454   12.954 11.84233 32.54846 
1 1 1   -3   10   44 o  244.180   13.104  770.614   79.613  784.397  179.670  767.247   88.807  227.994   32.475  242.569   14.731 -14.57469 35.65997 
1 1 1   -3   10   45 o   98.092   12.121  125.517   29.059   39.425  125.526  130.392   29.871   78.277   34.132   99.968   12.220 -21.69045 36.25312 
1 1 1   -3   10   46 o   91.510   12.526  110.170   27.873   71.744  143.327  111.680   28.416   84.430   36.645   92.085   12.695 -7.654442 38.78186 
1 1 1   -3   10   47 o   58.159   17.961   46.455   28.710 -38.7157  144.997   49.930   29.290   70.126   32.872   60.044   18.063 10.08164 37.50755 
1 1 1   -3   10   48 o  116.144   11.783  177.173   33.702  527.698  177.669  164.090   34.325  160.623   43.307  111.362   12.562 49.26019 45.09261 
1 1 1   -3   11    1 o  345.470   12.097  1494.38  104.361  1516.14  147.698  1472.67  147.480  347.500   17.020  342.017   17.324 5.483063 24.28620 
1 1 1   -3   11    2 o   98.713   7.7924  122.575   19.052  109.884   27.013  135.135   26.875   92.923   11.916  103.382   10.558 -10.45821 15.92075 
1 1 1   -3   11    3 o   83.934   7.7064   88.816   15.972   76.814   22.629  100.732   22.548   77.395   12.105   89.125   10.322 -11.73031 15.90824 
1 1 1   -3   11    4 o  454.299   14.795  2589.50  167.839  2710.32  237.482  2468.91  237.240  463.743   20.507  442.411   21.474 21.33221 29.69283 
1 1 1   -3   11    5 o  204.355   9.0387  522.386   46.126  522.820   65.173  521.950   65.290  203.846   12.869  203.671   12.904 0.1750641 18.22427 
1 1 1   -3   11    6 o  417.695   13.904  2187.88  145.027  2197.81  205.071  2177.94  205.127  417.740   19.658  415.830   19.754 1.910095 27.86890 
1 1 1   -3   11    7 o  412.013   13.550  2128.10  139.415  2055.30  197.011  2201.12  197.314  404.031   19.526  418.230   18.893 -14.19858 27.17010 
1 1 1   -3   11    8 o  342.855   24.578  1493.71  209.032   0.0000   0.0000  1493.71  209.032  ?   ?   342.855   24.578 0.000000 24.57778 
1 1 1   -3   11    9 o  533.224   35.042  3650.97  464.003  3650.97  464.003   0.0000   0.0000  533.224   35.042  ?   ?  0.000000 35.04177 
1 1 1   -3   11   10 o  292.535   15.392  1076.07  112.048  988.368  158.267  1164.19  158.652  279.102   22.910  303.410   21.070 -24.30768 31.12578 
1 1 1   -3   11   11 o   39.615   10.828   20.255   11.017   26.875   15.427   13.365   15.739   45.744   12.931   36.428   13.299 9.316063 18.54887 
1 1 1   -3   11   12 o   82.824   8.1829   86.577   16.703   78.341   23.496   94.992   23.750   78.153   12.457   86.410   11.275 -8.256927 16.80216 
1 1 1   -3   11   13 o  564.393   17.768  3995.86  250.426  3957.84  354.088  4033.91  354.225  560.362   25.304  565.769   25.072 -5.407959 35.62173 
1 1 1   -3   11   14 o  1056.01   31.867 14121.48  840.338 13661.80  1187.86 14582.02  1188.97  1030.79   46.147  1065.91   44.668 -35.12231 64.22495 
1 1 1   -3   11   15 o  373.805   12.763  1748.47  119.137  1707.45  168.349  1789.62  168.623  368.972   18.271  377.782   17.874 -8.810394 25.56007 
1 1 1   -3   11   16 o  242.045   9.8748  732.432   59.686  751.480   84.417  713.392   84.401  244.630   13.876  238.292   14.249 6.338501 19.88904 
1 1 1   -3   11   17 o  139.126   11.932  243.897   41.054  211.503   58.789  274.731   57.356  128.505   18.883  147.253   15.847 -18.74773 24.65187 
1 1 1   -3   11   18 o  201.223   13.008  508.784   65.012  491.308   92.626  525.752   91.272  196.990   19.068  203.971   18.107 -6.981522 26.29578 
1 1 1   -3   11   19 o  229.545   12.870  661.421   73.476  838.431  105.534  494.894  102.361  258.145   16.457  197.395   21.092 60.74960 26.75267 
1 1 1   -3   11   20 o  565.225   20.746  4013.31  292.826  4119.13  358.611  3801.57  507.266  571.823   25.114  545.175   37.488 26.64758 45.12291 
1 1 1   -3   11   21 o  408.896   16.066  2095.85  164.049  1949.01  284.524  2168.97  200.784  391.467   29.318  415.600   19.347 -24.13260 35.12616 
1 1 1   -3   11   22 o  337.814   13.635  1429.40  115.019  1550.80  200.754  1370.07  140.335  350.092   23.093  329.996   17.088 20.09674 28.72784 
1 1 1   -3   11   23 o  189.279   10.161  449.519   47.853  535.333   86.122  411.192   57.556  205.805   16.907  180.730   12.836 25.07455 21.22766 
1 1 1   -3   11   24 o  248.134   11.859  771.201   73.483  751.763  129.375  780.459   89.283  243.186   21.526  249.020   14.419 -5.833725 25.90955 
1 1 1   -3   11   25 o  699.996   25.160  6219.16  439.806  6547.47  763.529  6056.14  538.030  705.748   43.536  687.690   31.330 18.05823 53.63757 
1 1 1   -3   11   26 o  204.428   11.460  525.498   58.265  376.358  103.904  593.905   70.370  170.258   25.200  217.153   13.037 -46.89529 28.37239 
1 1 1   -3   11   27 o  543.115   36.472  3868.81  491.786   0.0000   0.0000  3868.81  491.786  ?   ?   543.115   36.472 0.000000 36.47212 
1 1 1   -3   11   28 o  497.845   19.032  3138.95  236.608  2843.88  411.350  3284.84  289.247  464.500   35.737  507.720   22.814 -43.21982 42.39831 
1 1 1   -3   11   29 o  120.189   9.9983  182.386   29.736  218.670   61.330  171.235   34.000  129.900   19.510  116.155   11.889 13.74454 22.84677 
1 1 1   -3   11   30 o  275.448   12.713  954.433   87.449  897.719  155.989  980.427  105.604  263.653   23.954  278.315   15.253 -14.66232 28.39785 
1 1 1   -3   11   31 o  251.060   12.046  792.560   75.519  759.576  136.799  807.018   90.570  242.592   22.851  252.558   14.420 -9.966248 27.02067 
1 1 1   -3   11   32 o  267.743   12.488  902.123   83.498  880.494  151.098  911.633  100.185  260.996   23.433  268.280   15.015 -7.283417 27.83043 
1 1 1   -3   11   33 o   95.217   17.062  118.246   39.079   0.0000   0.0000  118.246   39.079  ?   ?    95.217   17.062 0.000000 17.06183 
1 1 1   -3   11   34 o   99.224   15.424  127.316   36.976   49.364   69.133  158.552   43.762   72.255   27.567  110.772   16.308 -38.51696 32.02980 
1 1 1   -3   11   35 o  183.825   11.118  426.335   50.799  451.169  104.300  418.612   58.163  186.120   22.926  181.822   12.894 4.298477 26.30274 
1 1 1   -3   11   36 o  329.674   13.639  1371.76  112.287  1594.44  207.580  1279.65  133.506  350.853   23.834  317.069   16.923 33.78470 29.23052 
1 1 1   -3   11   37 f  400.402   15.929  2033.49  159.272  2177.37  288.024  1970.11  191.158  406.526   28.553  392.591   19.499 13.93555 34.57561 
1 1 1   -3   11   38 o  145.898   17.936  275.477   63.969   0.0000   0.0000  275.477   63.969  ?   ?   145.898   17.936 0.000000 17.93556 
1 1 1   -3   11   39 o  141.581   11.392  254.456   39.936  230.187  105.645  258.503   43.137  127.990   32.879  142.530   12.238 -14.53967 35.08330 
1 1 1   -3   11   40 o   98.438   11.653  124.189   28.089  179.332   95.734  118.995   29.382  112.633   32.338   96.133   12.538 16.49998 34.68343 
1 1 1   -3   11   41 o  144.904   11.192  267.406   40.184  367.286  114.802  253.460   42.898  161.846   29.492  140.757   12.329 21.08868 31.96510 
1 1 1   -3   11   42 o  125.112   11.371  200.409   35.137  216.671  112.486  198.650   36.988  119.918   35.235  124.365   12.062 -4.447304 37.24232 
1 1 1   -3   11   43 o   85.412   18.013   98.988   37.211 -29.9765  108.959  116.016   39.592   66.373   30.157   92.734   17.743 -26.36031 34.98911 
1 1 1   -3   11   44 o  131.111   11.451  221.323   37.117  306.042  129.568  213.749   38.740  137.617   36.932  128.566   12.213 9.051071 38.89915 
1 1 1   -3   11   45 o  175.829   11.949  398.860   52.153  429.545  152.617  394.802   55.494  160.552   38.552  174.506   12.824 -13.95407 40.62909 
1 1 1   -3   11   46 o  136.071   12.094  240.511   40.667   78.394  148.752  253.606   42.277   86.567   37.452  139.686   12.243 -53.11909 39.40285 
1 1 1   -3   11   47 o   63.630   13.920   54.917   21.504  119.477  151.744   53.594   21.723   90.791   38.519   62.770   14.192 28.02104 41.05059 
1 1 1   -3   11   48 o   58.150   18.114   46.839   29.128   0.0000   0.0000   46.839   29.128  ?   ?    58.150   18.114 0.000000 18.11357 
1 1 1   -3   12    1 o  243.445   9.6726  741.133   58.802  733.645   83.358  748.549   82.961  241.619   13.874  244.092   13.665 -2.473389 19.47352 
1 1 1   -3   12    2 o  650.749   28.710  5361.82  466.547  4925.81  659.208  5799.39  660.389  617.061   43.050  671.546   39.554 -54.48511 58.46247 
1 1 1   -3   12    3 o  280.038   10.502  981.066   73.440  1016.05  103.952  946.203  103.767  284.349   14.690  274.309   15.208 10.03967 21.14408 
1 1 1   -3   12    4 o  597.241   18.684  4481.52  278.657  4644.94  394.287  4318.44  393.874  606.260   26.044  584.304   26.994 21.95575 37.50942 
1 1 1   -3   12    5 o  562.977   17.656  3979.75  248.215  4049.46  351.082  3910.09  350.976  566.328   24.825  556.388   25.261 9.939941 35.41740 
1 1 1   -3   12    6 o  441.643   14.570  2444.78  160.684  2500.19  227.281  2389.40  227.202  445.794   20.416  435.729   20.881 10.06488 29.20325 
1 1 1   -3   12    7 o  136.680   8.1210  234.353   27.594  221.034   38.783  248.009   39.269  132.357   11.860  140.324   11.302 -7.966675 16.38253 
1 1 1   -3   12    8 o  204.856   9.0517  524.734   46.305  515.896   65.376  533.632   65.595  202.557   12.993  206.043   12.812 -3.486313 18.24752 
1 1 1   -3   12    9 o  476.706   15.475  2848.91  184.216  2779.69  260.343  2918.31  260.699  469.881   22.187  481.543   21.680 -11.66296 31.02089 
1 1 1   -3   12   10 o  172.361   8.5702  371.376   36.888  361.021   52.001  381.865   52.335  169.382   12.380  174.258   12.102 -4.875687 17.31208 
1 1 1   -3   12   11 o  772.602   33.981  7586.37  655.614  7640.45  927.314  7532.32  927.042  766.933   48.671  761.252   49.027 5.681396 69.08379 
1 1 1   -3   12   12 o  296.117   15.584  1101.77  114.832  1016.97  162.311  1186.75  162.484  283.353   23.141  306.537   21.360 -23.18414 31.49189 
1 1 1   -3   12   13 o  250.737   14.230  789.746   88.730  746.972  125.605  832.353  125.361  242.959   20.906  256.745   19.703 -13.78531 28.72773 
1 1 1   -3   12   14 o  896.356   38.910 10239.25  870.947  9613.82  1230.74 10866.64  1232.68  856.417   57.888  913.284   54.294 -56.86700 79.36523 
1 1 1   -3   12   15 o  529.509   24.027  3527.74  317.708  3604.10  449.665  3451.64  448.950  532.140   34.017  520.503   34.740 11.63721 48.62066 
1 1 1   -3   12   16 o  770.052   33.617  7513.94  646.439  7890.76  915.022  7138.47  913.387  782.368   47.054  742.745   49.529 39.62280 68.31693 
1 1 1   -3   12   17 o  448.111   20.935  2521.69  234.268  2553.59  331.674  2489.93  330.939  448.672   29.772  442.941   30.098 5.730927 42.33481 
1 1 1   -3   12   18 o  133.726   12.179  225.568   40.223  124.556   57.464  322.602   56.321   97.582   23.796  159.892   14.255 -62.31078 27.73892 
1 1 1   -3   12   19 o  845.400   36.904  9092.80  779.088  8564.73  1101.31  9621.82  1102.29  809.864   54.778  860.722   51.521 -50.85840 75.19991 
1 1 1   -3   12   20 o  237.119   9.3916  702.938   55.611  705.476   78.425  700.372   78.868  237.021   13.304  236.146   13.430 0.8744202 18.90366 
1 1 1   -3   12   21 o  345.065   12.192  1490.24  105.055  1456.70  148.447  1523.89  148.693  340.284   17.529  348.541   17.084 -8.256531 24.47701 
1 1 1   -3   12   22 o  623.507   22.425  4897.93  349.160  4324.72  603.960  5185.68  427.917  577.990   42.135  640.346   26.760 -62.35608 49.91439 
1 1 1   -3   12   23 o  221.434   11.011  613.742   60.886  642.294  107.494  600.254   73.880  225.140   19.306  218.426   13.613 6.714111 23.62287 
1 1 1   -3   12   24 o  230.359   11.673  666.379   66.927  588.742  117.773  703.408   81.336  214.785   22.282  236.422   13.837 -21.63687 26.22907 
1 1 1   -3   12   25 o  395.146   15.424  1962.06  152.195  2002.21  265.291  1942.36  185.813  395.706   27.009  392.519   18.957 3.187531 32.99734 
1 1 1   -3   12   26 o  645.773   23.685  5297.88  381.941  4994.70  662.293  5448.95  467.515  613.373   43.521  652.298   28.701 -38.92505 52.13320 
1 1 1   -3   12   27 o  241.087   11.474  729.128   69.078  802.628  123.881  695.961   83.217  251.013   19.927  234.820   14.259 16.19330 24.50315 
1 1 1   -3   12   28 o  329.510   24.501  1395.34  200.162   0.0000   0.0000  1395.34  200.162  ?   ?   329.510   24.501 0.000000 24.50068 
1 1 1   -3   12   29 o  205.096   10.929  529.438   55.772  567.130  102.532  513.600   66.465  210.456   19.740  201.611   13.276 8.844696 23.78917 
1 1 1   -3   12   30 o  512.387   18.986  3333.08  242.932  3673.53  424.630  3167.44  296.193  528.869   32.307  497.121   23.860 31.74796 40.16259 
1 1 1   -3   12   31 o  173.671   10.748  380.142   46.384  401.514   89.427  372.276   54.252  176.364   20.699  171.531   12.757 4.833481 24.31398 
1 1 1   -3   12   32 o   88.857   11.241  100.761   24.385  127.579   60.129   95.483   26.677   97.734   24.643   86.182   12.783 11.55197 27.76086 
1 1 1   -3   12   33 o   37.334   15.564   3.7613   24.102   90.978   55.473 -16.5343   26.760   83.383   24.807   32.740   14.902 50.64316 28.93894 
1 1 1   -3   12   34 o  243.538   16.005  753.730   96.795  605.088  143.699  877.192  130.964  214.346   27.479  261.499   20.212 -47.15253 34.11218 
1 1 1   -3   12   35 o  314.076   13.822  1244.65  108.406  1204.56  196.998  1262.06  129.832  303.892   26.216  315.138   16.556 -11.24557 31.00596 
1 1 1   -3   12   36 o  336.498   13.386  1428.46  112.479  1768.81  207.903  1287.62  133.743  370.320   22.590  318.085   16.898 52.23502 28.21083 
1 1 1   -3   12   37 o  101.455   12.081  131.458   30.006   86.127   82.408  138.387   32.218   85.638   30.539  104.019   12.665 -18.38148 33.06125 
1 1 1   -3   12   38 o  193.421   11.608  473.059   55.806  477.156  120.535  471.941   62.961  189.589   26.156  192.849   13.152 -3.259796 29.27652 
1 1 1   -3   12   39 f  327.683   17.053  1374.64  139.064   0.0000   0.0000  1374.64  139.064  ?   ?   327.683   17.053 0.000000 17.05346 
1 1 1   -3   12   40 o  331.706   17.928  1418.49  147.954  1527.72  226.386  1337.04  195.477  337.636   27.078  317.462   24.856 20.17422 36.75686 
1 1 1   -3   12   41 o   89.595   12.384  103.743   26.966  101.706  100.248  103.902   27.998   90.670   33.490   89.539   12.893 1.130730 35.88580 
1 1 1   -3   12   42 o   88.321   11.971  100.927   25.722  254.169  105.400   91.222   26.524  131.611   32.309   83.592   13.140 48.01888 34.87846 
1 1 1   -3   12   43 o   86.251   12.138   96.727   25.420  215.220  112.478   90.349   26.095  118.160   35.363   83.066   13.007 35.09426 37.67905 
1 1 1   -3   12   44 o   54.022   17.443   37.833   26.799  -9.0353  115.240   40.513   27.555   70.338   31.571   55.602   17.659 14.73555 36.17431 
1 1 1   -3   12   45 o  173.210   11.842  386.620   50.914  449.008  149.707  378.461   54.141  166.589   36.954  170.932   12.776 -4.342209 39.10017 
1 1 1   -3   12   46 o  164.992   12.414  353.158   50.774  156.393  156.133  376.427   53.692   99.626   40.357  170.208   12.724 -70.58245 42.31579 
1 1 1   -3   12   47 o   34.824   13.259   11.653   15.971 -78.8805  146.138   12.748   16.068   67.434   32.028   35.528   13.351 31.90622 34.69892 
1 1 1   -3   12   48 o  137.611   12.045  247.793   40.976  312.595  183.186  244.380   42.041  118.435   44.948  136.427   12.478 -17.99215 46.64825 
1 1 1   -3   13    1 o  200.922   8.8743  504.668   44.526  422.114   63.179  586.133   62.761  183.066   13.925  216.122   11.672 -33.05591 18.16963 
1 1 1   -3   13    2 o  524.895   16.721  3455.18  219.169  3548.77  310.201  3361.89  309.704  530.844   23.400  516.561   24.009 14.28284 33.52634 
1 1 1   -3   13    3 o  361.677   12.458  1637.31  112.513  1643.64  159.202  1630.99  159.034  361.931   17.615  360.531   17.664 1.400177 24.94592 
1 1 1   -3   13    4 f  331.485   16.785  1381.66  138.486  1408.76  196.075  1354.68  195.623  333.585   23.692  327.002   24.127 6.583221 33.81419 
1 1 1   -3   13    5 o  147.145   7.6811  271.334   28.126  248.160   39.725  294.629   39.828  140.369   11.432  153.121   10.479 -12.75163 15.50833 
1 1 1   -3   13    6 o  345.305   12.155  1492.31  104.812  1521.41  148.225  1463.20  148.228  348.257   17.044  341.051   17.463 7.206024 24.40188 
1 1 1   -3   13    7 o  486.617   22.339  2980.18  271.453   0.0000   0.0000  2980.18  271.453  ?   ?   486.617   22.339 0.000000 22.33863 
1 1 1   -3   13    8 o  710.641   31.353  6402.92  556.399  6402.92  556.399   0.0000   0.0000  710.641   31.353  ?   ?  0.000000 31.35345 
1 1 1   -3   13    9 f  406.609   13.208  2069.85  134.115  1927.94  189.368  2212.66  189.969  391.822   19.354  419.907   18.117 -28.08545 26.51012 
1 1 1   -3   13   10 o  266.384   10.053  887.351   66.871  799.323   94.232  976.652   94.911  252.146   15.034  279.291   13.608 -27.14502 20.27836 
1 1 1   -3   13   11 o  1043.09   31.761 13785.12  827.302 13691.12  1169.82 13879.18  1170.14  1031.74   45.404  1039.01   45.099 -7.265381 63.99595 
1 1 1   -3   13   12 o  433.961   14.389  2358.26  155.931  2350.67  220.407  2365.86  220.631  432.625   20.402  434.026   20.356 -1.401581 28.82027 
1 1 1   -3   13   13 o  312.769   11.466  1223.65   89.557  1243.82  126.551  1203.41  126.755  314.645   16.161  309.441   16.463 5.204834 23.06928 
1 1 1   -3   13   14 o  571.007   24.823  4105.05  353.958  4692.09  501.922  3524.28  499.232  607.624   33.205  524.752   38.364 82.87201 50.73760 
1 1 1   -3   13   15 o  694.651   30.365  6099.52  526.726  6555.46  745.840  5645.86  743.968  715.046   41.953  661.975   45.277 53.07080 61.72587 
1 1 1   -3   13   16 o  833.796   35.817  8829.76  745.755  7879.50  1053.20  9785.30  1056.12  777.324   54.604  870.247   48.795 -92.92377 73.22922 
1 1 1   -3   13   17 o  655.313   29.088  5423.48  476.014  5264.09  673.138  5582.92  673.234  640.266   42.340  659.987   41.052 -19.72198 58.97432 
1 1 1   -3   13   18 f  272.652   15.096  933.971  102.379  896.683  145.592  970.445  143.994  266.180   22.103  277.165   20.959 -10.98438 30.46065 
1 1 1   -3   13   19 o  331.672   13.887  1377.39  115.019  1179.61  198.765  1476.96  141.030  304.720   26.381  343.257   16.453 -38.53644 31.09121 
1 1 1   -3   13   20 o  723.471   22.394  6586.27  404.575  6603.04  572.087  6569.50  572.224  721.574   31.749  719.707   31.839 1.866394 44.96362 
1 1 1   -3   13   21 o  349.951   11.614  1532.62  101.495  1447.70  143.316  1618.06  143.757  339.683   16.895  359.201   16.027 -19.51801 23.28750 
1 1 1   -3   13   22 o  171.617   9.3389  369.445   39.872  435.061   56.480  304.257   56.296  186.001   12.228  155.092   14.712 30.90804 19.13013 
1 1 1   -3   13   23 o  352.130   14.524  1555.28  127.716  1450.59  221.952  1607.11  156.160  337.280   26.567  357.583   17.488 -20.30344 31.80654 
1 1 1   -3   13   24 o  269.240   12.439  908.562   83.635  798.744  145.829  962.387  102.094  250.142   23.625  276.486   14.841 -26.34421 27.90018 
1 1 1   -3   13   25 o  286.655   11.784  1030.01   84.351  1230.36  149.075  935.649  102.302  311.709   19.246  272.460   15.095 39.24966 24.45930 
1 1 1   -3   13   26 o  419.275   16.603  2214.50  173.839  2004.56  302.209  2318.31  212.518  393.500   31.006  428.171   19.876 -34.67047 36.82961 
1 1 1   -3   13   27 o  264.117   12.336  875.862   81.364  778.415  143.502  922.031   98.776  246.110   23.640  270.285   14.690 -24.17557 27.83264 
1 1 1   -3   13   28 o  378.707   14.778  1806.73  139.754  1976.51  246.558  1726.36  169.637  392.003   25.323  369.291   18.395 22.71249 31.29872 
1 1 1   -3   13   29 o  315.657   23.920  1282.41  187.153   0.0000   0.0000  1282.41  187.153  ?   ?   315.657   23.920 0.000000 23.92047 
1 1 1   -3   13   30 o  272.622   11.709  933.961   79.716  1143.84  144.385  841.934   95.609  299.439   19.414  257.914   14.908 41.52475 24.47763 
1 1 1   -3   13   31 o  238.098   10.612  711.740   63.097  974.313  118.338  607.441   74.583  276.834   17.203  219.147   13.697 57.68713 21.99009 
1 1 1   -3   13   32 o  168.716   12.192  359.906   51.019   0.0000   0.0000  359.906   51.019  ?   ?   168.716   12.192 0.000000 12.19154 
1 1 1   -3   13   33 o  234.132   12.415  691.806   72.325  530.081  132.590  760.311   86.295  200.638   27.162  245.099   14.159 -44.46109 30.63086 
1 1 1   -3   13   34 o  198.602   11.599  497.656   57.275  457.085  110.843  512.434   66.898  187.002   24.311  201.196   13.392 -14.19321 27.75554 
1 1 1   -3   13   35 o  427.760   21.561  2348.64  229.577  2206.77  329.588  2482.34  319.966  407.517   32.662  434.605   29.659 -27.08871 44.11878 
1 1 1   -3   13   36 o  203.561   10.772  522.276   54.562  742.308  115.102  458.504   61.966  240.521   19.327  190.246   13.124 50.27467 23.36141 
1 1 1   -3   13   37 o  387.340   15.908  1902.43  153.871  1846.20  276.967  1927.53  185.057  373.368   29.958  388.589   19.071 -15.22098 35.51299 
1 1 1   -3   13   38 o  162.787   11.319  335.308   45.727  343.998  107.517  333.389   50.524  159.831   27.956  162.066   12.583 -2.235138 30.65727 
1 1 1   -3   13   39 o  317.635   12.862  1275.83  102.018  1744.82  200.001  1110.89  118.608  366.476   21.955  294.902   16.168 71.57465 27.26589 
1 1 1   -3   13   40 o  217.443   12.266  600.273   66.333  530.729  141.304  619.930   75.126  196.760   29.682  220.537   13.709 -23.77736 32.69468 
1 1 1   -3   13   41 o  200.501   19.301  526.333   95.444   0.0000   0.0000  526.333   95.444  ?   ?   200.501   19.301 0.000000 19.30104 
1 1 1   -3   13   42 f  161.302   11.346  331.780   45.412  396.475  122.905  321.551   48.871  166.601   30.672  158.447   12.452 8.153931 33.10342 
1 1 1   -3   13   43 o  134.838   11.317  232.942   37.752  280.745  120.243  227.715   39.763  135.245   35.246  133.066   12.099 2.178757 37.26467 
1 1 1   -3   13   44 o  161.016   11.149  332.185   44.553  627.568  140.707  299.270   46.970  209.703   27.535  152.307   12.459 57.39655 30.22246 
1 1 1   -3   13   45 o  115.489   16.752  178.552   46.902  114.267  130.245  188.130   50.275   92.354   37.053  118.219   17.564 -25.86505 41.00502 
1 1 1   -3   13   46 o   49.691   14.241   33.002   18.581  120.707  134.043   31.284   18.762   92.562   37.429   48.548   14.423 44.01373 40.11221 
1 1 1   -3   13   47 o  116.854   11.668  177.647   33.593  309.779  157.849  171.378   34.381  127.074   42.407  114.539   12.208 12.53426 44.12907 
1 1 1   -3   13   48 o  113.669   12.032  169.363   33.634  121.444  166.641  171.398   34.341   90.723   39.445  114.272   12.224 -23.54850 41.29581 
1 1 1   -3   14    1 o  597.879   18.075  4485.94  269.862  4832.84  382.357  4141.61  380.931  619.200   24.728  572.779   26.632 46.42139 36.34209 
1 1 1   -3   14    2 o  654.372   20.401  5380.85  333.365  5462.14  471.703  5299.74  471.194  657.233   28.741  647.271   29.152 9.961365 40.93717 
1 1 1   -3   14    3 o  550.246   17.341  3797.87  238.279  3830.89  337.157  3764.92  336.798  551.371   24.487  546.564   24.676 4.807190 34.76393 
1 1 1   -3   14    4 o  257.360   10.138  828.298   65.157  839.184   92.301  817.485   91.992  258.446   14.358  255.056   14.503 3.389648 20.40829 
1 1 1   -3   14    5 o  324.073   11.509  1313.97   93.141  1395.24  131.884  1233.10  131.558  333.645   15.829  313.128   16.887 20.51706 23.14589 
1 1 1   -3   14    6 o  206.406   18.604  539.010   94.861   0.0000   0.0000  539.010   94.861  ?   ?   206.406   18.604 0.000000 18.60395 
1 1 1   -3   14    7 o  116.076   11.810  170.320   33.757  170.320   33.757   0.0000   0.0000  116.076   11.810  ?   ?  0.000000 11.81040 
1 1 1   -3   14    8 o  530.313   16.949  3526.46  224.451  3668.13  317.536  3385.00  317.306  539.790   23.557  518.364   24.513 21.42682 33.99711 
1 1 1   -3   14    9 o  298.111   11.047  1111.62   82.242  1159.43  116.215  1063.66  116.399  303.815   15.368  290.878   16.087 12.93643 22.24797 
1 1 1   -3   14   10 o  315.801   11.120  1247.45   87.697  1231.59  123.780  1263.44  124.268  313.097   15.883  317.538   15.672 -4.441376 22.31322 
1 1 1   -3   14   11 o  290.630   10.535  1056.31   76.455  1002.47  107.812  1110.78  108.439  282.463   15.342  297.814   14.581 -15.35059 21.16573 
1 1 1   -3   14   12 o  885.631   27.074  9893.93  598.766  9919.98  846.753  9867.88  846.814  882.250   38.434  879.881   38.540 2.369751 54.42892 
1 1 1   -3   14   13 o  590.741   18.572  4378.09  273.973  4340.09  387.293  4416.15  387.619  586.743   26.433  591.907   26.224 -5.164001 37.23430 
1 1 1   -3   14   14 f  510.657   16.353  3267.95  208.540  3277.39  294.847  3258.50  294.994  510.458   23.131  508.972   23.210 1.485901 32.76748 
1 1 1   -3   14   15 o  329.475   11.828  1358.01   97.316  1399.76  137.584  1316.21  137.668  334.198   16.486  323.580   17.098 10.61795 23.75138 
1 1 1   -3   14   16 o  391.507   13.227  1918.48  129.311  2029.75  182.923  1807.32  182.824  402.264   18.210  378.981   19.383 23.28339 26.59510 
1 1 1   -3   14   17 o  638.352   19.983  5116.82  318.549  5293.04  450.629  4940.80  450.364  647.527   27.868  625.368   28.839 22.15900 40.10386 
1 1 1   -3   14   18 o  376.184   12.933  1771.29  121.493  1761.70  171.644  1780.92  171.991  374.699   18.344  376.743   18.281 -2.043915 25.89817 
1 1 1   -3   14   19 f  219.405   9.3211  601.866   51.070  535.832   71.767  669.609   72.689  206.373   14.009  230.948   12.652 -24.57559 18.87646 
1 1 1   -3   14   20 o  718.553   22.248  6500.07  399.208  6690.18  564.735  6310.19  564.396  726.130   31.144  704.870   32.064 21.25995 44.70017 
1 1 1   -3   14   21 o  386.247   13.267  1868.79  127.960  1891.14  180.910  1846.41  181.014  387.935   18.675  383.288   18.912 4.646240 26.57832 
1 1 1   -3   14   22 o  253.130   10.495  801.852   66.343  806.222   93.592  797.439   94.057  253.098   14.873  251.689   15.034 1.408691 21.14787 
1 1 1   -3   14   23 o  420.458   13.235  2216.30  138.967  2133.45  196.363  2299.43  196.696  411.623   19.103  427.460   18.427 -15.83694 26.54214 
1 1 1   -3   14   24 o  581.001   21.434  4265.76  310.978  3867.54  538.396  4465.12  380.952  543.984   39.912  592.862   25.732 -48.87781 47.48800 
1 1 1   -3   14   25 o  414.333   16.259  2160.40  168.231  2119.61  292.577  2180.55  205.623  405.974   29.052  415.471   19.819 -9.496490 35.16804 
1 1 1   -3   14   26 o  320.736   13.756  1292.71  110.180  1194.01  192.156  1341.06  134.484  304.902   25.471  325.797   16.585 -20.89517 30.39417 
1 1 1   -3   14   27 o  214.162   11.271  577.018   60.067  593.152  107.337  569.661   72.479  215.387   20.192  212.400   13.739 2.986572 24.42253 
1 1 1   -3   14   28 o  287.852   12.880  1041.79   92.585  1029.10  163.203  1047.82  112.427  282.980   23.302  287.783   15.704 -4.803131 28.09981 
1 1 1   -3   14   29 o  131.128   18.487  222.082   58.855   0.0000   0.0000  222.082   58.855  ?   ?   131.128   18.487 0.000000 18.48662 
1 1 1   -3   14   30 o  175.725   18.686  396.129   80.738   0.0000   0.0000  396.129   80.738  ?   ?   175.725   18.686 0.000000 18.68570 
1 1 1   -3   14   31 o  126.050   11.025  201.073   34.355  196.155   71.365  202.557   39.196  121.556   24.359  126.262   12.599 -4.705330 27.42457 
1 1 1   -3   14   32 o  146.868   13.879  274.313   50.300  336.028   79.658  233.387   64.867  161.197   20.235  133.984   20.000 27.21356 28.45077 
1 1 1   -3   14   33 o  252.241   12.254  800.635   77.185  789.120  142.238  805.440   91.891  246.915   23.345  252.166   14.656 -5.251358 27.56451 
1 1 1   -3   14   34 o  199.152   11.878  500.672   58.802  413.822  112.731  533.134   68.920  177.114   26.286  205.204   13.525 -28.09029 29.56143 
1 1 1   -3   14   35 o  374.445   15.135  1772.81  141.518  1911.74  253.996  1710.26  170.421  382.986   26.725  366.129   18.702 16.85687 32.61929 
1 1 1   -3   14   36 o  235.485   14.688  703.632   85.941  781.756  134.517  649.751  111.714  245.847   22.149  224.668   20.125 21.17932 29.92652 
1 1 1   -3   14   37 o  417.263   15.431  2205.72  160.787  2784.97  292.223  1954.22  192.555  462.586   25.394  390.468   19.813 72.11719 32.20888 
1 1 1   -3   14   38 f  136.091   11.473  234.914   38.626  241.458  100.546  233.781   41.837  132.415   30.961  135.564   12.499 -3.147980 33.38866 
1 1 1   -3   14   39 o  149.383   10.725  282.496   39.744  432.893  106.120  257.960   42.863  180.836   24.099  142.425   12.168 38.41096 26.99731 
1 1 1   -3   14   40 o  156.618   11.710  311.730   45.466  246.238  114.822  323.907   49.513  131.112   34.575  159.463   12.535 -28.35168 36.77701 
1 1 1   -3   14   41 o  258.698   12.746  850.136   82.342  924.697  170.754  827.543   93.993  261.443   26.521  254.049   14.881 7.394028 30.41092 
1 1 1   -3   14   42 o  156.918   18.220  324.057   70.068   0.0000   0.0000  324.057   70.068  ?   ?   156.918   18.220 0.000000 18.22038 
1 1 1   -3   14   43 f  217.811   12.065  606.950   65.368  682.138  153.872  590.393   72.207  219.398   28.779  214.130   13.574 5.267563 31.81988 
1 1 1   -3   14   44 o  200.969   12.448  519.486   62.166  417.896  152.085  539.865   68.116  161.429   38.304  204.408   13.419 -42.97961 40.58620 
1 1 1   -3   14   45 o  214.770   12.602  595.208   67.291  583.464  168.012  597.452   73.439  192.009   36.372  214.499   13.783 -22.49020 38.89595 
1 1 1   -3   14   46 o   75.372   13.216   75.441   23.968   74.263  139.485   75.477   24.330   85.748   36.670   75.325   13.427 10.42239 39.05048 
1 1 1   -3   14   47 o  137.409   16.195  253.055   54.504  420.824  162.820  231.884   57.841  151.570   41.707  130.280   18.282 21.28979 45.53781 
1 1 1   -3   14   48 o   72.780   13.287   71.122   23.258  180.136  169.051   69.018   23.482   99.573   41.339   71.547   13.641 28.02598 43.53161 
1 1 1   -3   15    1 o  372.345   17.911  1740.19  166.540  1830.01  236.500  1651.84  234.559  380.079   25.058  360.771   26.215 19.30817 36.26477 
1 1 1   -3   15    2 o  920.033   28.008 10701.98  643.472 10864.20  910.401 10540.04  909.614  921.288   39.572  907.109   40.156 14.17889 56.37738 
1 1 1   -3   15    3 o  629.120   19.570  4971.65  307.458  5145.09  435.250  4798.90  434.373  638.190   27.311  616.101   28.233 22.08948 39.28115 
1 1 1   -3   15    4 o  292.230   10.873  1068.23   79.343  981.942  112.321  1154.17  112.095  279.407   16.167  303.522   14.789 -24.11447 21.91117 
1 1 1   -3   15    5 o  502.654   16.018  3167.11  201.059  3207.25  284.540  3127.09  284.141  504.855   22.570  498.462   22.827 6.393311 32.10093 
1 1 1   -3   15    6 o  119.849   8.3619  180.406   24.869  175.018   35.422  185.644   34.924  117.629   12.238  121.253   11.678 -3.623451 16.91603 
1 1 1   -3   15    7 o  140.376   12.085  248.394   41.950  272.985   59.320  223.794   59.332  146.652   16.484  132.284   18.464 14.36806 24.75168 
1 1 1   -3   15    8 o  172.140   12.457  372.764   53.187  398.890   75.248  346.678   75.189  177.529   17.189  165.187   18.548 12.34225 25.28806 
1 1 1   -3   15    9 o  567.676   17.996  4042.79  255.115  4193.12  360.908  3892.67  360.667  576.855   25.054  555.610   25.995 21.24530 36.10311 
1 1 1   -3   15   10 o  698.182   21.650  6127.86  377.472  6212.77  533.850  6042.97  533.801  700.667   30.511  690.895   30.940 9.771667 43.45334 
1 1 1   -3   15   11 o  202.245   8.8703  511.293   44.799  473.863   62.965  549.664   63.753  194.137   13.064  209.233   12.255 -15.09532 17.91245 
1 1 1   -3   15   12 o  234.596   9.7876  688.108   57.338  686.954   80.745  689.281   81.437  233.827   13.891  234.214   13.988 -0.3866882 19.71314 
1 1 1   -3   15   13 o  146.440   8.6238  268.971   31.397  269.213   44.041  268.720   44.772  146.180   12.176  146.021   12.395 0.1589661 17.37497 
1 1 1   -3   15   14 o  115.743   8.4417  168.328   24.231  168.677   33.633  167.951   34.940  115.514   11.826  115.200   12.337 0.3141861 17.09011 
1 1 1   -3   15   15 f  491.014   15.860  3021.23  194.470  3190.08  275.087  2852.53  274.958  503.727   21.869  476.139   23.125 27.58853 31.82783 
1 1 1   -3   15   16 o  242.710   9.9139  736.590   60.087  727.317   84.634  746.015   85.323  240.585   14.150  243.676   14.082 -3.091217 19.96262 
1 1 1   -3   15   17 o  348.260   12.390  1517.89  107.754  1588.20  152.402  1447.59  152.373  355.858   17.150  339.185   18.055 16.67230 24.90158 
1 1 1   -3   15   18 o  409.080   13.738  2095.74  140.344  2055.44  198.192  2136.26  198.761  404.500   19.621  412.417   19.299 -7.916931 27.52168 
1 1 1   -3   15   19 o  480.540   15.658  2895.16  187.893  2890.53  265.531  2899.81  265.910  479.162   22.191  479.931   22.187 -0.7691040 31.38043 
1 1 1   -3   15   20 o  382.195   13.261  1829.75  126.564  1878.52  178.910  1780.89  179.068  386.663   18.529  375.926   19.138 10.73679 26.63823 
1 1 1   -3   15   21 o  141.063   8.9102  249.843   31.226  250.688   43.852  248.973   44.475  140.913   12.595  140.396   12.827 0.5165253 17.97667 
1 1 1   -3   15   22 o  259.842   10.535  845.131   68.359  846.145   96.467  844.109   96.884  259.244   14.965  258.918   15.049 0.3253479 21.22322 
1 1 1   -3   15   23 o  374.160   13.085  1755.53  122.262  1743.09  172.704  1768.02  173.105  372.019   18.590  374.686   18.501 -2.666595 26.22753 
1 1 1   -3   15   24 o  871.891   26.971  9687.34  587.234  9603.32  830.227  9771.47  830.723  858.963   38.705  866.745   38.381 -7.781860 54.50868 
1 1 1   -3   15   25 o  338.937   13.968  1443.32  118.225  1468.37  206.135  1431.05  144.320  338.849   24.527  336.520   17.232 2.329071 29.97477 
1 1 1   -3   15   26 o  408.475   16.020  2102.54  163.409  2004.30  283.870  2151.23  199.840  393.732   29.077  412.295   19.410 -18.56247 34.96034 
1 1 1   -3   15   27 o  170.484   10.967  366.132   46.440  331.294   83.675  381.640   55.828  160.076   21.474  173.775   12.958 -13.69888 25.08051 
1 1 1   -3   15   28 o  208.376   11.451  546.861   59.357  445.050  105.575  593.917   71.775  185.260   23.339  216.863   13.318 -31.60338 26.87119 
1 1 1   -3   15   29 o   59.583   17.848   45.472   28.642   61.831   46.687   35.599   36.270   70.635   23.039   56.886   20.263 13.74902 30.68185 
1 1 1   -3   15   30 o  105.836   19.585  146.755   49.856   0.0000   0.0000  146.755   49.856  ?   ?   105.836   19.585 0.000000 19.58535 
1 1 1   -3   15   31 o   81.375   20.882   87.654   42.646   0.0000   0.0000   87.654   42.646  ?   ?    81.375   20.882 0.000000 20.88226 
1 1 1   -3   15   32 o  362.511   14.639  1658.91  132.519  1782.89  235.068  1601.16  160.444  370.920   25.534  354.659   18.177 16.26071 31.34297 
1 1 1   -3   15   33 o  111.619   11.164  158.107   30.699  263.029   71.248  134.186   34.019  142.177   20.673  102.291   13.659 39.88646 24.77808 
1 1 1   -3   15   34 o  223.049   11.900  627.654   66.044  620.656  125.811  630.316   77.594  218.622   23.409  223.084   14.000 -4.462509 27.27567 
1 1 1   -3   15   35 o  394.234   15.397  1966.18  151.582  2221.42  271.945  1851.13  182.574  413.049   26.505  380.670   19.269 32.37900 32.76894 
1 1 1   -3   15   36 o  179.118   11.401  405.211   50.731  454.866  107.914  391.125   57.478  186.501   23.707  175.620   13.203 10.88077 27.13542 
1 1 1   -3   15   37 o  321.192   16.165  1312.04  129.239  1578.92  196.051  1106.94  171.869  349.478   22.585  291.820   23.792 57.65781 32.80482 
1 1 1   -3   15   38 o   84.590   13.392   92.563   27.347   18.892   86.419  100.761   28.828   70.154   29.377   88.313   13.501 -18.15891 32.33084 
1 1 1   -3   15   39 o  254.814   13.546  824.408   85.887  541.261  166.748  926.652  100.201  196.796   35.224  269.722   14.935 -72.92609 38.25961 
1 1 1   -3   15   40 o  251.944   12.463  803.703   78.409  894.120  161.900  775.997   89.621  259.154   25.341  246.514   14.624 12.63918 29.25827 
1 1 1   -3   15   41 o  247.187   12.927  778.503   79.515  717.054  165.252  797.017   90.706  227.753   29.768  249.422   14.627 -21.66881 33.16740 
1 1 1   -3   15   42 o   91.720   12.498  108.948   27.880   52.454  111.020  112.751   28.803   81.383   33.620   93.283   12.694 -11.89941 35.93719 
1 1 1   -3   15   43 o  171.647   18.659  390.581   78.691   0.0000   0.0000  390.581   78.691  ?   ?   171.647   18.659 0.000000 18.65909 
1 1 1   -3   15   44 o  146.304   11.688  275.062   42.346  262.097  133.714  276.508   44.644  126.895   38.688  146.462   12.321 -19.56670 40.60254 
1 1 1   -3   15   45 o  166.275   11.968  356.203   49.362  322.476  145.141  360.614   52.491  138.063   39.870  166.992   12.682 -28.92896 41.83798 
1 1 1   -3   15   46 o   69.285   13.417   64.075   22.376   89.206  139.730   63.414   22.668   88.257   37.177   68.847   13.667 19.40993 39.60932 
1 1 1   -3   15   47 o   94.605   12.190  117.282   28.127  188.658  152.373  114.764   28.619  104.154   40.609   93.426   12.587 10.72849 42.51525 
1 1 1   -3   15   48 o  118.392   17.377  191.832   49.845  153.752  174.921  195.197   52.001   96.327   41.126  119.041   18.060 -22.71349 44.91651 
1 1 1   -3   16    1 o  175.826   8.8776  387.539   38.853  389.229   56.154  385.986   53.813  175.826   12.879  175.143   12.384 0.6832886 17.86684 
1 1 1   -3   16    2 o  219.108   9.4423  600.365   51.664  626.668   73.951  575.288   72.206  223.289   13.323  213.877   13.590 9.412598 19.03155 
1 1 1   -3   16    3 o  212.159   13.058  565.752   68.844  578.652   98.684  553.522   96.088  213.846   18.667  209.127   18.594 4.719345 26.34710 
1 1 1   -3   16    4 o  143.111   8.7129  256.987   30.989  233.940   44.551  278.593   43.135  136.040   13.284  148.748   11.707 -12.70789 17.70624 
1 1 1   -3   16    5 o  704.736   31.191  6298.73  548.909   0.0000   0.0000  6298.73  548.909  ?   ?   704.736   31.191 0.000000 31.19055 
1 1 1   -3   16    6 o  196.670   12.794  486.235   62.492  486.235   62.492   0.0000   0.0000  196.670   12.794  ?   ?  0.000000 12.79391 
1 1 1   -3   16    7 f  596.916   18.717  4473.25  279.003  4655.24  394.833  4291.75  394.306  607.392   26.031  582.944   27.087 24.44843 37.56744 
1 1 1   -3   16    8 o  317.220   11.591  1259.05   91.818  1338.48  129.874  1179.69  129.828  326.773   15.916  306.222   17.045 20.55099 23.32063 
1 1 1   -3   16    9 f  421.464   16.250  2226.86  171.027  2287.04  209.392  2106.25  296.431  426.724   19.650  407.027   29.361 19.69748 35.33002 
1 1 1   -3   16   10 o  493.709   22.510  3066.84  277.517  3446.49  392.939  2689.00  391.999  520.911   30.339  458.728   34.472 62.18292 45.92117 
1 1 1   -3   16   11 o  560.285   17.683  3938.08  247.411  4285.70  350.195  3591.66  349.589  583.329   24.041  533.570   26.237 49.75830 35.58558 
1 1 1   -3   16   12 o  153.003   8.8940  293.630   33.835  360.757   47.525  224.635   48.182  169.442   11.297  133.105   14.743 36.33667 18.57354 
1 1 1   -3   16   13 o  319.200   11.477  1274.71   91.481  1256.62  129.089  1292.96  129.660  316.179   16.406  320.751   16.241 -4.572235 23.08493 
1 1 1   -3   16   14 o  252.585   10.096  797.833   63.683  817.055   89.726  778.321   90.400  255.030   14.144  248.841   14.612 6.189362 20.33634 
1 1 1   -3   16   15 o  653.155   20.300  5360.75  331.109  5393.41  468.121  5328.05  468.398  653.069   28.704  649.044   28.899 4.024658 40.73233 
1 1 1   -3   16   16 o  238.455   9.7187  711.027   57.872  689.269   81.343  733.329   82.353  234.176   13.974  241.600   13.706 -7.423920 19.57360 
1 1 1   -3   16   17 o  641.506   19.930  5172.19  319.278  5133.01  451.313  5211.46  451.743  636.935   28.375  641.840   28.185 -4.905090 39.99384 
1 1 1   -3   16   18 o  500.847   16.178  3146.42  202.338  3230.87  286.027  3061.83  286.270  506.423   22.617  492.871   23.259 13.55154 32.44277 
1 1 1   -3   16   19 o  134.768   8.8880  228.096   29.744  261.230   41.531  193.203   42.618  143.993   11.650  123.370   14.086 20.62256 18.27936 
1 1 1   -3   16   20 o  192.067   9.0798  461.380   43.549  454.148   61.151  468.823   62.034  189.951   12.969  193.011   12.946 -3.060379 18.32453 
1 1 1   -3   16   21 o  148.096   9.2161  275.424   33.914  289.533   47.483  260.732   48.456  151.481   12.669  143.561   13.682 7.920502 18.64659 
1 1 1   -3   16   22 o  263.945   10.394  872.195   68.507  835.517   96.563  909.364   97.208  257.521   15.082  268.780   14.537 -11.25891 20.94701 
1 1 1   -3   16   23 o  344.266   12.330  1486.04  105.998  1449.66  149.609  1522.71  150.200  338.815   17.744  347.784   17.295 -8.968506 24.77821 
1 1 1   -3   16   24 o  686.503   21.542  5968.69  369.293  6084.98  522.281  5852.42  522.235  688.370   30.383  674.707   30.996 13.66266 43.40348 
1 1 1   -3   16   25 o  438.311   14.777  2416.87  161.744  2524.29  228.701  2309.38  228.780  446.396   20.516  426.133   21.569 20.26355 29.76838 
1 1 1   -3   16   26 o  250.781   12.054  789.634   75.486  707.612  131.963  829.526   92.030  234.691   22.805  256.333   14.436 -21.64243 26.98987 
1 1 1   -3   16   27 o  208.748   11.201  548.505   58.177  509.673  102.927  566.735   70.524  199.155   21.013  211.836   13.401 -12.68158 24.92268 
1 1 1   -3   16   28 o  244.224   12.349  751.740   75.066  607.764  131.984  820.583   91.265  216.317   24.887  254.772   14.404 -38.45580 28.75458 
1 1 1   -3   16   29 o  232.836   12.107  683.415   70.152  561.401  124.501  740.176   84.916  207.803   24.460  241.932   14.117 -34.12852 28.24179 
1 1 1   -3   16   30 o   75.376   15.049   74.213   27.335   0.0000   0.0000   74.213   27.335  ?   ?    75.376   15.049 0.000000 15.04921 
1 1 1   -3   16   32 o  303.655   16.767  1171.52  126.648  1172.03  182.548  1171.06  175.855  300.802   24.515  301.082   23.578 -0.2793884 34.01346 
1 1 1   -3   16   33 o  239.258   12.097  722.092   72.044  752.700  133.814  709.599   85.492  241.364   22.459  236.641   14.538 4.722946 26.75358 
1 1 1   -3   16   34 o  126.098   11.311  201.487   35.237  221.033   79.084  196.645   39.360  128.729   25.503  124.291   12.868 4.437920 28.56579 
1 1 1   -3   16   35 o  248.768   12.161  779.126   75.544  860.825  144.301  748.282   88.664  257.978   22.628  242.908   14.686 15.06982 26.97595 
1 1 1   -3   16   36 o  120.828   11.890  185.529   35.412  190.689   87.669  184.523   38.710  118.316   29.714  120.272   13.101 -1.956200 32.47341 
1 1 1   -3   16   37 o  169.793   11.382  364.469   47.979  517.426  109.148  327.835   53.417  199.369   22.306  160.589   13.444 38.77951 26.04391 
1 1 1   -3   16   38 o   95.789   16.193  119.663   37.353  135.177   91.041  116.522   40.959  100.731   32.110   94.056   18.095 6.675262 36.85791 
1 1 1   -3   16   39 o  250.925   13.170  798.899   82.235  670.919  163.190  842.461   95.208  222.463   30.152  257.129   14.891 -34.66650 33.62916 
1 1 1   -3   16   40 o  261.481   12.961  866.797   84.631  852.627  171.349  871.369   97.331  251.421   27.754  261.103   14.990 -9.681747 31.54381 
1 1 1   -3   16   41 o  159.706   11.730  324.823   46.453  329.216  121.893  324.077   50.244  151.356   33.166  159.242   12.742 -7.885818 35.52945 
1 1 1   -3   16   42 o   66.622   14.039   58.820   22.619  138.335  108.348   55.197   23.128   99.789   35.077   64.386   14.707 35.40289 38.03505 
1 1 1   -3   16   43 o   86.473   12.845   97.552   26.895 -10.5859  115.302  103.774   27.658   71.259   31.810   89.260   12.773 -18.00109 34.27874 
1 1 1   -3   16   44 o  102.366   18.680  142.115   45.991   0.0000   0.0000  142.115   45.991  ?   ?   102.366   18.680 0.000000 18.67967 
1 1 1   -3   16   45 o   70.852   13.859   66.964   23.642   3.2556  130.262   69.134   24.041   75.202   33.673   72.015   13.872 3.186111 36.41844 
1 1 1   -3   16   46 o   56.678   14.271   43.359   20.187  163.895  140.431   40.816   20.398  101.549   39.154   55.000   14.606 46.54921 41.78986 
1 1 1   -3   16   47 o   89.852   12.502  106.177   27.292  182.016  155.540  103.768   27.723  103.150   40.783   88.670   12.898 14.48000 42.77354 
1 1 1   -3   16   48 o   94.361   12.623  117.528   28.998 -11.6556  174.553  121.195   29.407   78.038   36.413   95.854   12.590 -17.81661 38.52796 
1 1 1   -3   17    1 o  274.206   10.503  941.023   71.920  961.566  102.779  921.312  100.674  276.450   14.943  270.583   14.957 5.867340 21.14311 
1 1 1   -3   17    2 o  283.837   10.688  1008.23   75.753  1058.57  108.003  959.491  106.281  290.135   14.958  276.115   15.476 14.02008 21.52326 
1 1 1   -3   17    3 o  149.798   8.5280  281.475   31.769  280.115   46.308  282.684   43.664  149.030   12.560  149.808   11.767 -0.7780914 17.21082 
1 1 1   -3   17    4 o  409.659   28.027  2135.28  284.990   0.0000   0.0000  2135.28  284.990  ?   ?   409.659   28.027 0.000000 28.02673 
1 1 1   -3   17    5 o  256.188   20.738  831.062  131.533  831.062  131.533   0.0000   0.0000  256.188   20.738  ?   ?  0.000000 20.73798 
1 1 1   -3   17    6 o  156.081   8.7341  305.530   33.906  316.140   48.500  295.388   47.419  158.434   12.356  153.095   12.513 5.338898 17.58544 
1 1 1   -3   17    7 o  170.357   8.8719  363.828   37.612  353.228   53.372  374.284   53.012  167.471   12.860  172.469   12.391 -4.998260 17.85865 
1 1 1   -3   17    8 o  180.465   8.7828  407.164   39.580  377.919   55.993  436.371   55.956  173.242   13.038  186.328   12.091 -13.08632 17.78204 
1 1 1   -3   17    9 o  549.556   17.253  3789.52  236.773  3825.07  334.876  3753.99  334.819  550.787   24.347  545.595   24.575 5.192017 34.59341 
1 1 1   -3   17   10 o  336.850   11.786  1419.99   99.142  1426.38  140.073  1413.57  140.343  337.226   16.633  335.698   16.741 1.527344 23.59968 
1 1 1   -3   17   11 o  639.471   23.156  5150.70  369.767  5058.31  452.560  5336.25  641.333  632.244   28.664  644.169   40.067 -11.92505 49.26490 
1 1 1   -3   17   12 o  371.517   18.368  1732.93  170.409  1813.68  240.609  1651.66  241.382  378.251   25.624  360.576   27.004 17.67438 37.22628 
1 1 1   -3   17   13 o  378.895   13.052  1797.55  123.496  1785.45  174.447  1809.70  174.854  377.080   18.526  379.642   18.444 -2.561554 26.14162 
1 1 1   -3   17   14 o  298.980   11.172  1118.45   83.413  1156.43  117.679  1080.10  118.249  303.319   15.589  293.027   16.223 10.29160 22.49910 
1 1 1   -3   17   15 o  745.553   23.006  7003.54  428.322  7235.61  605.844  6771.63  605.633  754.564   32.152  729.530   33.244 25.03400 46.24884 
1 1 1   -3   17   16 o  292.096   10.990  1067.60   80.162  1088.54  112.946  1046.33  113.792  294.243   15.425  288.407   15.861 5.835938 22.12466 
1 1 1   -3   17   17 o  517.323   16.452  3358.44  212.530  3277.29  300.154  3440.03  300.974  509.683   23.583  522.299   23.076 -12.61612 32.99451 
1 1 1   -3   17   18 o  230.681   9.8429  665.705   56.700  706.920   79.711  623.490   80.670  237.132   13.517  222.519   14.599 14.61296 19.89536 
1 1 1   -3   17   19 o  235.019   10.038  691.134   58.911  737.029   82.925  644.370   83.705  242.079   13.774  226.151   14.905 15.92802 20.29553 
1 1 1   -3   17   20 o  180.186   9.1635  407.212   41.096  402.297   57.462  412.358   58.797  178.687   12.966  180.902   13.104 -2.215271 18.43476 
1 1 1   -3   17   21 o   97.789   9.3615  120.754   22.581  123.275   31.074  117.933   32.871   98.313   12.974   95.930   14.146 2.382957 19.19482 
1 1 1   -3   17   22 o  246.792   10.415  762.765   64.184  806.759   90.579  718.398   90.961  253.062   14.393  238.605   15.348 14.45737 21.04050 
1 1 1   -3   17   23 o  601.415   18.928  4565.69  284.263  4412.86  401.512  4719.29  402.507  587.802   27.354  608.288   26.498 -20.48602 38.08376 
1 1 1   -3   17   24 o  289.394   11.187  1050.13   80.848  1121.67  114.281  978.448  114.392  298.136   15.403  278.167   16.543 19.96915 22.60304 
1 1 1   -3   17   25 o  318.601   11.940  1274.19   94.998  1290.04  134.124  1258.23  134.572  319.297   16.881  315.256   17.159 4.041840 24.07059 
1 1 1   -3   17   26 o  193.124   9.7987  468.716   47.101  535.801   66.589  401.544   66.632  206.036   13.009  177.868   15.146 28.16792 19.96576 
1 1 1   -3   17   27 f  474.666   15.663  2843.80  185.657  2953.83  262.597  2733.84  262.520  481.316   21.848  462.655   22.722 18.66129 31.52201 
1 1 1   -3   17   28 o  263.028   12.753  870.433   83.768  778.297  146.602  915.097  102.072  245.199   24.261  268.832   15.268 -23.63283 28.66513 
1 1 1   -3   17   29 o   82.025   13.132   86.780   25.991   74.554   52.040   90.844   30.001   76.607   24.262   83.626   14.913 -7.019615 28.47866 
1 1 1   -3   17   30 o  198.906   11.623  499.025   57.483  430.454  104.147  529.067   68.934  181.779   23.493  204.458   13.579 -22.67955 27.13477 
1 1 1   -3   17   31 f  286.046   23.297  1056.70  164.969   0.0000   0.0000  1056.70  164.969  ?   ?   286.046   23.297 0.000000 23.29731 
1 1 1   -3   17   32 o  173.196   20.203  387.433   85.736   0.0000   0.0000  387.433   85.736  ?   ?   173.196   20.203 0.000000 20.20284 
1 1 1   -3   17   33 o  129.197   11.824  211.696   37.723  156.966   77.478  228.702   43.188  107.855   28.382  134.107   13.062 -26.25185 31.24315 
1 1 1   -3   17   34 o  353.939   14.311  1581.83  126.484  1784.92  226.523  1489.83  152.465  371.222   24.575  341.966   17.916 29.25574 30.41250 
1 1 1   -3   17   35 o  186.218   14.758  441.001   68.068  483.329  106.811  412.055   88.327  192.750   22.621  178.547   20.164 14.20325 30.30287 
1 1 1   -3   17   36 o  132.694   11.902  223.439   39.019  233.536   93.089  221.287   42.976  131.119   29.182  131.799   13.237 -0.6796417 32.04326 
1 1 1   -3   17   37 o  159.191   11.814  320.935   46.631  385.085  106.273  305.640   51.893  170.383   25.783  154.984   13.544 15.39922 29.12442 
1 1 1   -3   17   38 o  107.822   11.833  148.284   31.336  321.952   95.436  127.298   33.175  155.326   25.489   99.417   13.729 55.90883 28.95154 
1 1 1   -3   17   39 o  145.192   15.161  270.767   54.157  273.621  108.223  269.813   62.553  140.109   31.675  144.202   17.745 -4.093018 36.30734 
1 1 1   -3   17   40 o  216.229   12.611  594.336   67.799  486.213  144.918  624.633   76.712  186.559   32.275  221.256   13.956 -34.69661 35.16299 
1 1 1   -3   17   41 o  160.285   12.139  327.692   48.225  212.786  124.398  348.015   52.317  120.268   37.428  165.016   12.796 -44.74821 39.55463 
1 1 1   -3   17   42 f  139.631   11.711  249.339   40.457  336.764  123.629  238.854   42.814  151.437   33.573  136.354   12.721 15.08366 35.90198 
1 1 1   -3   17   43 o  146.121   11.376  273.266   41.183  521.642  133.648  247.207   43.289  191.544   28.835  138.531   12.653 53.01231 31.48909 
1 1 1   -3   17   44 o   72.917   13.711   70.537   24.049  235.607  128.943   64.588   24.479  120.834   38.182   69.478   14.574 51.35583 40.86858 
1 1 1   -3   17   45 o   45.390   17.373   20.032   27.511   0.0000   0.0000   20.032   27.511  ?   ?    45.390   17.373 0.000000 17.37272 
1 1 1   -3   17   46 o   44.437   17.012   19.316   26.382 -126.5620  136.831   24.948   26.887   62.631   30.083   47.268   17.363 15.36251 34.73369 
1 1 1   -3   17   47 o  104.076   12.242  141.577   31.208  189.741  163.264  139.750   31.794  104.551   41.641  103.262   12.591 1.289474 43.50310 
1 1 1   -3   17   48 o  101.925   12.604  136.784   31.398   0.0000   0.0000  136.784   31.398  ?   ?   101.925   12.604 0.000000 12.60442 
1 1 1   -3   18    1 o  370.575   12.852  1722.24  118.930  1753.95  169.152  1691.23  167.249  373.154   18.153  366.398   18.279 6.755219 25.76140 
1 1 1   -3   18    2 o   89.721   8.9991  101.716   19.891  141.132   32.362   77.787   25.216  105.375   12.545   77.650   13.494 27.72536 18.42436 
1 1 1   -3   18    3 o  337.533   12.077  1427.30  101.798  1395.99  144.764  1457.93  143.176  332.748   17.483  340.595   16.834 -7.847473 24.27008 
1 1 1   -3   18    4 o  336.638   11.461  1419.04   96.343  1539.35  137.273  1302.24  135.249  350.180   15.698  321.509   16.905 28.67035 23.06967 
1 1 1   -3   18    5 o  201.863   9.2009  509.686   46.381  565.619   66.370  456.298   64.842  212.119   12.586  190.304   13.737 21.81520 18.63089 
1 1 1   -3   18    6 o  168.295   12.311  356.602   51.380  351.438   74.213  361.357   71.206  166.248   18.172  168.769   17.133 -2.521225 24.97520 
1 1 1   -3   18    7 o  252.150   9.7437  795.323   61.353  787.527   87.124  802.991   86.412  250.278   13.996  252.761   13.742 -2.483307 19.61454 
1 1 1   -3   18    8 o  426.737   14.214  2282.53  151.475  2363.13  214.430  2202.25  214.006  433.421   19.812  418.299   20.487 15.12134 28.49989 
1 1 1   -3   18    9 o  282.334   10.467  997.338   73.800  924.948  104.249  1070.06  104.489  271.130   15.461  292.185   14.321 -21.05472 21.07444 
1 1 1   -3   18   10 o   89.577   9.4029  101.453   20.720  100.192   28.878  102.790   29.745   88.425   13.507   89.551   13.740 -1.125633 19.26682 
1 1 1   -3   18   11 o  337.773   11.358  1427.94   95.802  1372.95  135.210  1483.37  135.761  330.780   16.369  343.883   15.809 -13.10193 22.75684 
1 1 1   -3   18   12 o  158.242   8.6122  314.013   33.904  281.181   47.409  348.378   48.504  149.290   12.842  166.413   11.747 -17.12230 17.40446 
1 1 1   -3   18   13 o  711.141   22.090  6372.42  392.291  6450.25  554.610  6294.49  554.958  712.260   31.182  703.440   31.592 8.819946 44.38882 
1 1 1   -3   18   14 o  270.858   15.339  923.068  103.324  1101.24  145.711  742.864  146.538  295.211   19.881  241.299   24.666 53.91150 31.68060 
1 1 1   -3   18   15 o  657.145   29.391  5484.12  482.309  5563.26  681.770  5404.83  682.407  655.020   41.900  645.191   42.595 9.828369 59.74876 
1 1 1   -3   18   16 o  233.725   9.7320  683.406   56.801  673.591   79.609  693.585   81.069  231.401   13.840  234.816   13.887 -3.415207 19.60627 
1 1 1   -3   18   17 o  483.826   15.860  2938.78  191.622  3027.86  270.796  2849.44  271.193  489.842   22.138  475.024   22.862 14.81836 31.82377 
1 1 1   -3   18   18 o  122.546   8.8989  188.837   27.047  180.027   37.111  198.817   39.500  119.192   12.662  125.305   12.803 -6.113121 18.00696 
1 1 1   -3   18   19 o   80.997   10.031   83.364   19.855   71.101   26.983   97.844   29.321   73.923   15.127   87.246   13.926 -13.32358 20.56134 
1 1 1   -3   18   20 o  245.563   9.9731  754.896   61.157  704.529   85.698  807.166   87.302  236.434   14.586  253.240   13.858 -16.80638 20.11928 
1 1 1   -3   18   21 o  330.500   11.844  1369.34   97.749  1325.09  137.654  1414.34  138.829  323.978   17.075  335.242   16.583 -11.26367 23.80248 
1 1 1   -3   18   22 o  261.020   10.624  853.690   69.250  872.319   97.614  834.814   98.259  262.989   14.925  257.176   15.370 5.813080 21.42439 
1 1 1   -3   18   23 o  128.782   8.8864  208.619   28.403  184.172   39.104  235.922   41.324  120.379   13.226  136.568   12.247 -16.18909 18.02586 
1 1 1   -3   18   24 o  404.086   13.601  2052.95  137.248  2066.04  193.764  2039.76  194.433  403.988   19.207  401.355   19.399 2.632568 27.29908 
1 1 1   -3   18   25 o  467.827   15.640  2760.04  182.711  2838.49  258.205  2681.36  258.579  472.187   21.898  458.655   22.577 13.53250 31.45173 
1 1 1   -3   18   26 o  170.041   8.9437  363.285   37.844  313.044   52.696  416.794   54.383  157.134   13.562  181.732   12.052 -24.59735 18.14329 
1 1 1   -3   18   27 o  339.120   12.681  1446.74  107.386  1639.30  151.925  1254.46  151.810  359.940   16.902  313.621   19.480 46.31952 25.79100 
1 1 1   -3   18   28 o  203.530   9.8570  519.684   50.099  539.506   70.636  499.620   71.066  206.463   13.779  198.518   14.434 7.945404 19.95556 
1 1 1   -3   18   29 o  133.988   13.639  228.535   44.999   0.0000   0.0000  228.535   44.999  ?   ?   133.988   13.639 0.000000 13.63915 
1 1 1   -3   18   30 o  254.441   22.433  835.332  141.078  835.332  141.078   0.0000   0.0000  254.441   22.433  ?   ?  0.000000 22.43313 
1 1 1   -3   18   31 o  154.730   11.439  302.614   43.885  253.311   81.528  322.727   52.072  138.379   24.489  159.505   13.192 -21.12630 27.81624 
1 1 1   -3   18   32 o  253.041   22.194  826.415  138.827   0.0000   0.0000  826.415  138.827  ?   ?   253.041   22.194 0.000000 22.19433 
1 1 1   -3   18   33 f  138.643   21.493  251.388   72.004   0.0000   0.0000  251.388   72.004  ?   ?   138.643   21.493 0.000000 21.49314 
1 1 1   -3   18   34 o  203.712   12.169  524.285   61.621  488.536  115.686  538.445   72.809  193.175   24.535  206.016   14.240 -12.84035 28.36797 
1 1 1   -3   18   35 o  247.458   12.722  773.777   78.351  729.983  146.666  791.266   92.684  236.249   25.252  249.690   14.933 -13.44159 29.33670 
1 1 1   -3   18   36 o  203.307   11.846  522.225   59.882  526.667  119.138  520.724   69.267  200.506   24.290  202.597   13.773 -2.091324 27.92305 
1 1 1   -3   18   37 o  353.692   15.441  1586.28  136.383  1339.20  244.705  1697.62  164.260  316.224   31.403  364.880   18.027 -48.65509 36.21003 
1 1 1   -3   18   38 o  313.627   18.385  1262.01  143.357  1117.79  211.230  1385.17  195.194  288.939   29.698  325.499   24.187 -36.56085 38.30104 
1 1 1   -3   18   39 o  324.110   14.094  1333.03  114.073  1480.91  215.427  1275.41  134.473  334.383   26.004  315.388   17.138 18.99469 31.14350 
1 1 1   -3   18   40 o  103.098   16.480  139.260   41.000  169.573  104.087  133.693   44.606  109.745   34.250  100.408   18.471 9.337067 38.91288 
1 1 1   -3   18   41 o  114.931   12.265  169.490   34.658  272.291  111.975  158.598   36.448  137.143   33.079  110.832   13.444 26.31055 35.70658 
1 1 1   -3   18   42 o  152.349   11.970  296.916   45.173  299.575  127.394  296.533   48.312  140.873   36.061  151.976   12.851 -11.10289 38.28200 
1 1 1   -3   18   43 o   88.962   13.106  103.361   28.244  179.576  122.252   99.064   29.029  108.808   37.315   86.841   13.852 21.96689 39.80267 
1 1 1   -3   18   44 o  152.522   11.912  299.175   45.011  370.375  144.362  291.508   47.372  151.784   38.135  150.227   12.748 1.557419 40.20926 
1 1 1   -3   18   45 o  115.493   12.195  172.940   34.639  147.988  145.890  174.431   35.659  100.114   39.524  115.880   12.522 -15.76543 41.46035 
1 1 1   -3   18   46 o   86.726   13.337   99.335   27.959   0.0000   0.0000   99.335   27.959  ?   ?    86.726   13.337 0.000000 13.33713 
1 1 1   -3   18   47 o   36.548   15.367   4.3036   23.801   0.0000   0.0000   4.3036   23.801  ?   ?    36.548   15.367 0.000000 15.36660 
1 1 1   -3   18   48 o   54.577   15.135   40.632   21.348   0.0000   0.0000   40.632   21.348  ?   ?    54.577   15.135 0.000000 15.13520 
1 1 1   -3   19    1 o  158.408   8.1635  314.848   32.183  405.258   48.991  246.216   42.685  179.459   10.985  139.523   12.380 39.93604 16.55067 
1 1 1   -3   19    2 o  495.039   22.964  3110.40  283.885  3164.25  401.910  3056.79  401.039  494.202   32.752  485.416   33.285 8.786591 46.69721 
1 1 1   -3   19    3 o  298.611   15.942  1124.73  118.450   0.0000   0.0000  1124.73  118.450  ?   ?   298.611   15.942 0.000000 15.94237 
1 1 1   -3   19    4 o  156.258   13.067  308.399   50.519  308.399   50.519   0.0000   0.0000  156.258   13.067  ?   ?  0.000000 13.06672 
1 1 1   -3   19    5 o  391.425   13.160  1921.59  128.631  1991.37  182.598  1852.84  181.232  397.624   18.390  383.447   18.927 14.17740 26.38954 
1 1 1   -3   19    6 o  329.095   11.729  1356.86   96.386  1411.00  136.907  1303.65  135.723  335.061   16.363  321.547   16.963 13.51477 23.56837 
1 1 1   -3   19    7 o  277.727   10.566  965.618   73.276  990.865  104.160  940.880  103.103  280.577   14.920  273.351   15.164 7.225555 21.27301 
1 1 1   -3   19    8 o  853.434   37.667  9390.74  802.760  8816.22  1134.72  9966.39  1135.83  809.586   56.481  864.783   52.850 -55.19666 77.35147 
1 1 1   -3   19    9 o  237.894   9.6497  708.101   57.325  777.190   81.385  640.069   80.759  248.663   13.153  225.434   14.421 23.22981 19.51872 
1 1 1   -3   19   10 o  524.639   16.826  3458.25  220.445  3440.15  311.739  3476.36  311.772  521.603   23.933  524.375   23.809 -2.771606 33.75908 
1 1 1   -3   19   11 o  266.521   10.075  888.906   67.058  951.260   94.852  826.599   94.816  275.093   13.852  256.247   14.882 18.84641 20.33060 
1 1 1   -3   19   12 o  503.514   16.167  3183.83  203.273  3232.10  287.387  3135.50  287.555  505.893   22.749  498.185   23.114 7.708435 32.43108 
1 1 1   -3   19   13 o  610.133   18.912  4685.29  288.145  4507.22  407.132  4864.00  407.865  595.842   27.362  619.339   26.372 -23.49689 38.00213 
1 1 1   -3   19   14 o  275.650   10.843  951.268   74.639  996.152  105.203  905.776  105.911  281.336   15.029  268.103   15.890 13.23233 21.87160 
1 1 1   -3   19   15 o  457.819   14.930  2630.75  170.692  2588.20  240.952  2673.63  241.841  452.877   21.306  460.352   21.037 -7.474762 29.94171 
1 1 1   -3   19   16 o  250.753   14.960  792.134   93.250  936.269  130.889  643.574  132.883  271.916   19.403  224.209   24.113 47.70673 30.95028 
1 1 1   -3   19   17 o  196.067   13.510  484.476   65.743  479.112   90.479  490.476   95.687  194.111   18.906  196.253   19.795 -2.142426 27.37301 
1 1 1   -3   19   18 o  286.237   10.891  1026.26   77.846  1038.19  109.571  1014.09  110.618  287.046   15.342  283.628   15.679 3.417480 21.93616 
1 1 1   -3   19   19 o  476.130   15.644  2850.34  186.006  2897.81  262.665  2802.59  263.442  478.462   21.984  470.405   22.427 8.057251 31.40442 
1 1 1   -3   19   20 o  325.938   11.855  1332.15   96.495  1344.27  135.944  1319.84  136.990  326.308   16.740  323.259   17.030 3.049316 23.87989 
1 1 1   -3   19   21 o  328.705   11.930  1355.38   97.924  1356.97  137.933  1353.76  139.046  327.706   16.913  327.279   17.073 0.4265137 24.03155 
1 1 1   -3   19   22 o  601.614   19.125  4577.99  287.317  4636.23  406.040  4519.59  406.615  601.585   27.028  593.748   27.424 7.837708 38.50468 
1 1 1   -3   19   23 o  311.006   11.657  1214.02   90.536  1229.53  127.457  1198.23  128.624  311.766   16.429  307.670   16.805 4.096191 23.50158 
1 1 1   -3   19   24 o  456.347   15.307  2625.57  174.439  2823.01  246.841  2428.59  246.547  471.203   20.978  435.815   22.733 35.38782 30.93302 
1 1 1   -3   19   25 o  314.244   12.024  1240.93   94.354  1348.19  133.147  1132.72  133.728  326.663   16.322  298.521   18.023 28.14255 24.31586 
1 1 1   -3   19   26 o  255.176   10.752  817.461   68.516  916.656   96.696  717.440   97.097  269.255   14.434  237.643   16.463 31.61121 21.89457 
1 1 1   -3   19   27 o  155.189   9.2233  303.023   35.583  285.798   49.291  321.769   51.420  150.067   13.291  159.345   13.037 -9.278687 18.61701 
1 1 1   -3   19   28 o  305.373   11.969  1172.85   91.275  1238.97  128.951  1106.45  129.214  312.401   16.589  294.855   17.630 17.54654 24.20746 
1 1 1   -3   19   29 o  148.484   9.4760  277.684   34.953  283.199   48.697  271.824   50.199  149.358   13.192  146.166   13.921 3.192368 19.17880 
1 1 1   -3   19   30 o  189.784   11.690  454.682   55.131  403.439   99.869  477.142   66.118  175.818   23.322  194.037   13.734 -18.21898 27.06558 
1 1 1   -3   19   31 o  157.719   12.051  314.826   47.106  202.051   85.347  364.231   56.489  122.240   28.487  169.445   13.461 -47.20502 31.50695 
1 1 1   -3   19   32 o  129.474   22.820  221.107   71.085   0.0000   0.0000  221.107   71.085  ?   ?   129.474   22.820 0.000000 22.81973 
1 1 1   -3   19   33 o  228.557   21.825  675.231  123.050   0.0000   0.0000  675.231  123.050  ?   ?   228.557   21.825 0.000000 21.82472 
1 1 1   -3   19   34 o   98.927   20.051  129.291   47.839  172.434   75.903  100.859   61.617  112.970   27.226   87.498   26.171 25.47220 37.76448 
1 1 1   -3   19   35 o  408.220   16.033  2112.68  163.439  2137.94  288.964  2100.80  198.186  402.969   28.908  405.570   19.568 -2.601013 34.90838 
1 1 1   -3   19   36 f  191.329   12.155  463.106   57.775  397.208  113.389  486.214   67.145  172.602   27.208  195.694   13.829 -23.09250 30.52092 
1 1 1   -3   19   37 f  133.694   12.934  227.721   42.643  169.883   96.606  241.718   47.523  111.340   32.636  137.541   14.033 -26.20115 35.52492 
1 1 1   -3   19   38 o  204.805   12.782  532.097   65.044  432.518  133.383  563.164   74.503  177.693   31.197  210.320   14.270 -32.62729 34.30613 
1 1 1   -3   19   39 o  300.655   13.994  1147.54  105.064  1131.34  197.656  1153.92  124.038  290.679   27.559  300.053   16.619 -9.374207 32.18232 
1 1 1   -3   19   40 o  108.904   13.182  152.701   35.118  115.713  101.852  157.691   37.412   94.972   33.943  110.521   13.860 -15.54987 36.66344 
1 1 1   -3   19   41 o  216.264   28.253  645.018  148.934  645.018  148.934   0.0000   0.0000  216.264   28.253  ?   ?  0.000000 28.25287 
1 1 1   -3   19   42 o  172.103   16.573  386.525   70.348  417.789  134.193  374.676   82.609  169.126   32.958  167.743   20.123 1.383286 38.61576 
1 1 1   -3   19   43 o  143.337   12.294  264.294   43.579  227.326  133.351  268.714   46.110  119.739   38.931  144.317   12.932 -24.57845 41.02227 
1 1 1   -3   19   44 o  126.522   12.397  206.997   38.666  237.607  138.194  204.398   40.274  120.138   39.659  125.489   13.042 -5.351593 41.74873 
1 1 1   -3   19   45 o   54.465   15.435   39.805   21.952 -15.9955  137.646   41.261   22.237   74.314   33.815   55.389   15.478 18.92517 37.18863 
1 1 1   -3   19   46 o   68.763   14.624   63.770   24.339   11.026  150.800   65.181   24.663   79.282   35.802   69.522   14.667 9.759857 38.69021 
1 1 1   -3   19   47 o   35.725   14.066   10.377   18.433 -157.4193  160.962   12.607   18.555   65.201   31.635   36.965   14.238 28.23579 34.69182 
1 1 1   -3   20    1 o  283.251   10.679  1006.70   75.535  1054.08  108.409  961.991  105.304  288.755   15.087  275.755   15.353 12.99921 21.52503 
1 1 1   -3   20    2 o  331.573   17.101  1392.25  141.118   0.0000   0.0000  1392.25  141.118  ?   ?   331.573   17.101 0.000000 17.10147 
1 1 1   -3   20    3 f  313.911   23.789  1262.81  185.093  1262.81  185.093   0.0000   0.0000  313.911   23.789  ?   ?  0.000000 23.78875 
1 1 1   -3   20    4 o  272.191   10.587  928.643   71.962  970.498  103.292  889.169  100.312  277.328   14.970  265.376   15.200 11.95245 21.33458 
1 1 1   -3   20    5 o  219.039   9.3392  600.751   51.083  639.699   73.445  564.252   71.098  225.344   13.108  211.528   13.531 13.81561 18.83894 
1 1 1   -3   20    6 o  604.211   19.006  4609.18  286.772  4574.23  405.915  4644.00  405.201  598.480   27.160  603.154   26.902 -4.674438 38.22853 
1 1 1   -3   20    7 o  413.339   13.812  2145.25  142.560  2251.33  202.194  2040.39  201.032  422.337   19.172  401.866   20.032 20.47086 27.72811 
1 1 1   -3   20    8 o  290.276   10.807  1055.58   78.340  1118.62  111.313  993.712  110.274  297.988   15.007  280.675   15.797 17.31284 21.78914 
1 1 1   -3   20    9 o  237.133   9.7497  703.967   57.734  740.125   82.026  668.467   81.276  242.467   13.602  230.305   14.201 12.16273 19.66462 
1 1 1   -3   20   10 o  298.172   15.884  1120.85  117.841  931.334  166.809  1309.66  166.497  269.706   25.054  321.307   20.864 -51.60107 32.60337 
1 1 1   -3   20   11 o  398.650   13.328  1993.84  132.678  2056.94  187.595  1930.68  187.675  403.995   18.595  391.277   19.208 12.71780 26.73391 
1 1 1   -3   20   12 o   93.225   9.1273  109.794   20.976  111.437   29.386  108.089   29.950   93.383   12.950   91.860   13.455 1.522537 18.67495 
1 1 1   -3   20   13 o  321.040   11.325  1291.37   90.795  1300.42  128.158  1282.26  128.649  321.612   15.957  318.922   16.207 2.689728 22.74434 
1 1 1   -3   20   14 o  248.310   10.239  772.083   63.491  692.081   89.082  854.676   90.514  234.185   15.317  260.564   13.962 -26.37875 20.72543 
1 1 1   -3   20   15 o  558.090   17.847  3923.85  248.718  4071.99  351.668  3775.59  351.813  566.156   24.874  544.784   25.861 21.37262 35.88153 
1 1 1   -3   20   16 o  448.247   14.759  2524.67  165.207  2477.17  233.118  2572.60  234.161  442.557   21.094  451.084   20.788 -8.527100 29.61553 
1 1 1   -3   20   17 f  100.911   8.8691  128.424   22.123   78.375   29.853  189.385   32.947   77.532   15.951  122.460   10.887 -44.92758 19.31281 
1 1 1   -3   20   18 o  629.968   28.611  5083.89  450.087  5521.50  636.357  4645.85  636.681  648.108   39.508  591.243   43.426 56.86493 58.70874 
1 1 1   -3   20   19 o  644.963   29.305  5343.12  471.982  5758.20  667.216  4927.38  667.752  660.021   40.680  607.237   44.342 52.78503 60.17558 
1 1 1   -3   20   20 o  544.073   25.243  3779.76  342.962  3917.69  483.826  3640.46  486.227  546.946   35.618  526.018   37.257 20.92822 51.54338 
1 1 1   -3   20   21 o  282.081   11.010  998.068   77.552  992.528  108.782  1003.79  110.591  280.227   15.607  281.781   15.780 -1.553802 22.19441 
1 1 1   -3   20   22 o  437.565   14.769  2411.74  161.383  2494.70  227.841  2328.20  228.620  443.199   20.586  427.324   21.493 15.87521 29.76145 
1 1 1   -3   20   23 f  251.966   10.440  796.430   65.689  832.406   92.215  759.368   93.597  256.649   14.447  244.895   15.383 11.75397 21.10353 
1 1 1   -3   20   24 o  350.697   12.697  1547.00  111.199  1626.77  156.783  1466.25  157.738  358.437   17.516  339.483   18.679 18.95361 25.60660 
1 1 1   -3   20   25 f  100.752   9.8807  128.549   24.540  119.995   33.501  138.452   36.047   96.537   14.332  103.850   14.278 -7.312561 20.23009 
1 1 1   -3   20   26 o   92.055   10.136  107.622   22.915  117.388   31.449   96.569   33.458   95.598   13.553   86.024   16.169 9.573936 21.09776 
1 1 1   -3   20   27 f  133.243   9.7255  223.928   32.136  237.336   44.176  208.858   46.836  136.652   13.106  127.753   14.965 8.898712 19.89260 
1 1 1   -3   20   28 o  159.118   10.822  319.539   42.745  357.203   69.681  296.815   54.126  167.052   16.938  152.693   14.364 14.35916 22.20832 
1 1 1   -3   20   29 o  139.945   10.648  247.432   36.933  254.190   45.546  234.455   63.114  141.447   13.041  134.378   19.368 7.069092 23.34910 
1 1 1   -3   20   30 o  241.289   10.644  731.480   64.132  769.407   90.266  692.820   91.133  246.339   14.741  233.464   15.723 12.87479 21.55286 
1 1 1   -3   20   31 o  204.109   12.058  526.179   61.188  413.434  108.667  578.521   74.042  177.255   25.265  213.653   13.954 -36.39885 28.86235 
1 1 1   -3   20   32 o  191.051   14.413  463.621   68.257   0.0000   0.0000  463.621   68.257  ?   ?   191.051   14.413 0.000000 14.41311 
1 1 1   -3   20   33 o   75.415   25.966   68.216   59.229   0.0000   0.0000   68.216   59.229  ?   ?    75.415   25.966 0.000000 25.96643 
1 1 1   -3   20   34 o  345.452   26.573  1560.46  227.477   0.0000   0.0000  1560.46  227.477  ?   ?   345.452   26.573 0.000000 26.57315 
1 1 1   -3   20   35 o  233.760   16.202  696.451   93.995  650.311  137.331  737.114  128.924  222.682   25.136  238.566   21.885 -15.88374 33.32823 
1 1 1   -3   20   36 o  305.669   13.360  1180.12  101.976  1167.91  183.997  1185.54  122.513  298.987   24.869  305.166   16.134 -6.178314 29.64452 
1 1 1   -3   20   37 o  226.785   12.481  651.093   70.409  627.090  135.442  659.982   82.420  217.973   25.357  227.773   14.567 -9.799255 29.24301 
1 1 1   -3   20   38 o   57.733   17.334   43.080   26.994   52.272   84.552   42.037   28.485   76.676   30.147   57.428   17.916 19.24828 35.06895 
1 1 1   -3   20   39 o  255.694   13.002  830.718   82.746  828.240  160.512  831.615   96.566  248.885   26.221  255.013   15.234 -6.128677 30.32455 
1 1 1   -3   20   40 o  224.045   12.727  639.185   70.912  601.954  144.468  651.002   81.392  209.640   28.321  225.453   14.534 -15.81262 31.83266 
1 1 1   -3   20   41 o  186.540   12.611  444.642   58.400  409.584  132.496  453.095   65.061  168.695   32.632  187.831   13.971 -19.13651 35.49709 
1 1 1   -3   20   42 o   88.551   18.864  106.206   40.437   5.3660  107.494  122.828   43.643   71.829   31.445   95.341   18.998 -23.51216 36.73831 
1 1 1   -3   20   43 o  103.651   17.782  144.212   44.368   85.836  118.662  153.700   47.838   87.556   35.283  106.741   18.624 -19.18507 39.89646 
1 1 1   -3   20   44 o  172.868   12.834  385.939   55.007  209.089  143.258  416.522   59.574  113.126   40.274  179.357   13.398 -66.23121 42.44382 
1 1 1   -3   20   45 o  130.962   17.072  229.306   54.503  372.431  144.017  205.380   58.883  150.061   38.303  122.401   19.952 27.66007 43.18749 
1 1 1   -3   20   46 o  200.837   17.701  540.213   87.865  504.416  182.548  551.007  100.241  167.486   43.321  200.782   20.270 -33.29520 47.82850 
1 1 1   -3   20   47 o  139.203   12.884  253.215   44.278   0.0000   0.0000  253.215   44.278  ?   ?   139.203   12.884 0.000000 12.88376 
1 1 1   -3   21    1 o  185.868   9.2557  433.379   42.960  463.935   63.788  408.015   58.116  191.359   13.434  179.471   13.057 11.88744 18.73368 
1 1 1   -3   21    2 o   47.229   12.680   29.035   15.269   40.450   28.541   24.457   18.074   56.833   17.964   44.587   14.317 12.24573 22.97119 
1 1 1   -3   21    3 f  108.762   8.8994  149.230   23.959  180.190   38.164  129.089   30.781  118.957   13.062  100.549   12.531 18.40797 18.10104 
1 1 1   -3   21    4 o  265.669   10.394  885.436   68.957  911.580   99.044  860.842   96.065  268.511   14.829  260.914   14.805 7.596771 20.95423 
1 1 1   -3   21    5 f  138.691   12.613  243.697   43.205  338.042   62.971  159.781   59.389  162.991   15.664  110.096   22.365 52.89551 27.30465 
1 1 1   -3   21    6 o  463.125   15.342  2702.66  177.432  2607.30  251.357  2797.38  250.500  452.616   22.239  469.160   21.381 -16.54398 30.84997 
1 1 1   -3   21    7 o  431.494   14.249  2342.33  153.534  2422.24  217.774  2263.35  216.491  437.218   19.946  422.455   20.521 14.76343 28.61776 
1 1 1   -3   21    8 o  319.242   11.643  1278.70   92.817  1339.77  131.923  1218.84  130.611  326.038   16.203  310.401   16.914 15.63718 23.42288 
1 1 1   -3   21    9 o  416.785   14.125  2183.97  147.010  2152.26  208.139  2215.55  207.669  412.261   20.218  418.376   19.877 -6.115479 28.35232 
1 1 1   -3   21   10 o  256.184   10.277  822.393   65.748  776.354   93.265  867.875   92.700  247.941   15.136  262.371   14.201 -14.42947 20.75511 
1 1 1   -3   21   11 o  487.188   16.047  2989.10  195.230  3032.73  276.184  2945.52  276.011  488.670   22.632  481.475   22.956 7.194733 32.23690 
1 1 1   -3   21   12 o  495.117   22.951  3114.43  283.765  3135.14  401.660  3093.80  400.950  491.326   32.927  487.965   33.100 3.361237 46.68856 
1 1 1   -3   21   13 o  206.084   9.3542  531.833   48.139  513.689   67.623  550.474   68.545  201.778   13.498  208.955   13.204 -7.176620 18.88274 
1 1 1   -3   21   14 o  264.441   10.564  876.408   69.759  927.701   98.300  824.370   99.011  271.230   14.567  255.443   15.596 15.78712 21.34088 
1 1 1   -3   21   15 o  520.992   16.798  3421.80  218.548  3496.27  308.951  3347.21  309.198  524.196   23.602  512.674   24.151 11.52173 33.76891 
1 1 1   -3   21   16 f  197.974   9.2617  490.843   45.788  375.422   63.810  613.358   65.741  172.085   14.999  220.766   11.970 -48.68065 19.18948 
1 1 1   -3   21   17 o  298.316   10.999  1116.02   81.935  1027.16  115.102  1207.31  116.661  285.011   16.240  309.682   15.085 -24.67105 22.16514 
1 1 1   -3   21   18 f  609.346   19.432  4702.10  295.687  4772.03  417.838  4631.94  418.492  609.615   27.447  600.315   27.916 9.300415 39.14944 
1 1 1   -3   21   19 o  412.805   14.047  2144.27  144.806  2214.14  204.276  2073.69  205.302  417.959   19.572  403.728   20.430 14.23114 28.29216 
1 1 1   -3   21   20 o  751.473   23.580  7213.62  442.487  7480.41  625.650  6946.62  625.892  757.009   33.096  728.210   34.418 28.79834 47.74934 
1 1 1   -3   21   21 o  246.981   14.515  771.225   89.128  720.293  122.514  828.486  129.903  237.063   20.910  254.450   20.621 -17.38754 29.36747 
1 1 1   -3   21   22 o  270.423   16.123  927.141  108.381  1054.79  149.984  787.642  156.792  287.012   21.074  246.169   25.894 40.84296 33.38566 
1 1 1   -3   21   23 o  395.653   19.436  1990.18  192.033  1963.76  268.537  2017.83  274.721  388.486   27.866  393.673   28.130 -5.187225 39.59578 
1 1 1   -3   21   24 o  296.616   11.468  1105.79   84.945  1164.04  119.616  1046.53  120.650  303.021   15.863  286.976   16.910 16.04456 23.18600 
1 1 1   -3   21   25 o  173.316   9.4797  377.921   40.873  392.961   56.607  361.539   59.078  176.171   12.958  168.710   14.154 7.461044 19.18949 
1 1 1   -3   21   26 o  256.534   10.797  826.813   69.167  871.815   97.054  780.369   98.597  262.288   14.879  247.811   16.018 14.47688 21.86274 
1 1 1   -3   21   27 o  237.578   12.231  712.336   72.315  581.702  125.042  777.987   88.643  211.275   24.133  247.818   14.386 -36.54366 28.09586 
1 1 1   -3   21   28 o   94.092   14.449  114.321   32.865  114.321   32.865   0.0000   0.0000   94.092   14.449  ?   ?  0.000000 14.44884 
1 1 1   -3   21   29 o  107.558   9.8513  146.434   26.166  114.178   35.172  186.408   39.155   93.792   15.563  120.900   13.183 -27.10812 20.39581 
1 1 1   -3   21   30 o  104.405   10.327  138.242   26.571  152.084   36.172  122.019   39.161  108.977   13.587   96.748   16.820 12.22917 21.62195 
1 1 1   -3   21   31 o  175.596   9.9046  388.372   43.254  442.559   60.416  331.391   61.953  186.917   13.025  161.069   15.598 25.84750 20.32131 
1 1 1   -3   21   32 o  163.835   14.162  341.507   57.371   0.0000   0.0000  341.507   57.371  ?   ?   163.835   14.162 0.000000 14.16192 
1 1 1   -3   21   33 o   58.028   24.046   13.665   57.045   0.0000   0.0000   13.665   57.045  ?   ?    58.028   24.046 0.000000 24.04615 
1 1 1   -3   21   34 o   84.341   27.248   91.209   65.392   0.0000   0.0000   91.209   65.392  ?   ?    84.341   27.248 0.000000 27.24829 
1 1 1   -3   21   35 o  273.731   23.958  976.370  162.115   0.0000   0.0000  976.370  162.115  ?   ?   273.731   23.958 0.000000 23.95761 
1 1 1   -3   21   36 o  327.469   14.797  1358.84  121.001  1397.92  215.616  1340.88  146.191  325.859   26.733  323.626   18.163 2.232758 32.31923 
1 1 1   -3   21   37 o  168.736   12.450  361.453   52.089  304.411  106.939  379.196   59.643  149.099   29.764  172.490   13.967 -23.39023 32.87808 
1 1 1   -3   21   38 o  198.825   12.350  501.660   61.016  393.342  123.541  536.607   70.172  169.120   30.369  205.265   13.770 -36.14543 33.34478 
1 1 1   -3   21   39 o  220.540   13.172  619.356   72.209  491.625  140.615  665.104   84.153  188.232   30.994  227.971   14.864 -39.73820 34.37354 
1 1 1   -3   21   40 o   93.623   14.675  114.493   33.181  127.698   93.764  112.603   35.476   96.817   32.682   92.487   15.936 4.330559 36.36030 
1 1 1   -3   21   41 f  135.072   12.798  234.422   42.651  188.691  111.758  242.218   46.144  113.029   35.525  137.052   13.665 -24.02266 38.06213 
1 1 1   -3   21   42 o  184.412   12.526  436.119   57.340  331.613  131.037  460.869   63.770  147.304   35.941  189.160   13.591 -41.85521 38.42477 
1 1 1   -3   21   43 o   65.977   19.328   59.016   33.893  134.897  109.272   50.939   35.651   96.796   35.086   62.229   20.121 34.56665 40.44605 
1 1 1   -3   21   44 o  162.495   16.658  349.368   66.641  308.575  136.956  362.023   76.280  136.856   38.472  164.112   18.962 -27.25627 42.89114 
1 1 1   -3   21   45 o   99.633   13.496  130.456   32.713  337.585  139.609  118.423   33.650  142.077   38.424   94.397   14.758 47.67979 41.16104 
1 1 1   -3   21   46 o  158.869   12.547  327.638   49.370  310.015  161.560  329.453   51.850  129.283   42.891  159.002   13.177 -29.71838 44.86950 
1 1 1   -3   21   47 o   84.838   20.101  101.920   41.931   0.0000   0.0000  101.920   41.931  ?   ?    84.838   20.101 0.000000 20.10063 
1 1 1   -3   22    1 o  114.266   16.060  168.921   44.560   0.0000   0.0000  168.921   44.560  ?   ?   114.266   16.060 0.000000 16.05951 
1 1 1   -3   22    2 o  191.484   10.291  462.177   49.029  513.802   62.867  382.032   78.331  201.475   12.558  172.140   18.513 29.33572 22.37062 
1 1 1   -3   22    3 o  130.299   8.9136  213.961   28.829  235.243   44.364  198.406   37.929  135.935   13.237  124.908   12.320 11.02713 18.08351 
1 1 1   -3   22    4 o  251.689   10.207  795.519   64.152  841.229   92.573  753.286   88.983  257.687   14.444  243.742   14.688 13.94514 20.60025 
1 1 1   -3   22    5 o  320.201   11.806  1289.48   94.403  1268.69  134.666  1309.58  132.374  315.904   17.135  321.156   16.562 -5.251770 23.83086 
1 1 1   -3   22    6 o  398.417   13.558  1999.98  134.893  2019.84  191.729  1980.52  189.820  398.566   19.264  394.668   19.260 3.897217 27.24038 
1 1 1   -3   22    7 o  211.394   13.698  565.184   71.919  622.323  102.100  508.911  101.323  220.691   18.702  198.882   20.705 21.80960 27.90110 
1 1 1   -3   22    8 o  118.130   9.2044  175.952   26.938  180.942   39.823  171.743   36.576  119.126   13.632  116.160   12.823 2.965141 18.71534 
1 1 1   -3   22    9 o  444.585   14.736  2491.28  163.599  2514.62  231.788  2468.11  230.943  444.568   20.879  440.389   21.000 4.178711 29.61272 
1 1 1   -3   22   10 o  341.900   12.376  1469.04  105.666  1431.38  149.783  1506.34  149.089  335.845   17.924  344.716   17.375 -8.871857 24.96372 
1 1 1   -3   22   11 o  359.984   12.275  1628.17  110.345  1537.41  156.095  1718.84  156.009  348.110   18.018  368.835   16.938 -20.72437 24.72973 
1 1 1   -3   22   12 o  294.503   11.094  1088.41   81.589  1072.23  115.369  1104.60  115.401  291.107   15.931  295.537   15.693 -4.429810 22.36194 
1 1 1   -3   22   13 o  436.068   14.712  2395.34  160.210  2390.24  226.507  2400.45  226.637  433.659   20.916  434.597   20.883 -0.9372864 29.55647 
1 1 1   -3   22   14 o  303.692   15.885  1166.61  120.052  963.539  169.523  1370.90  170.035  273.200   25.130  327.794   20.881 -54.59390 32.67328 
1 1 1   -3   22   15 o  149.738   8.8304  281.830   32.873  277.043   45.468  287.073   47.582  147.972   12.420  150.589   12.774 -2.617447 17.81617 
1 1 1   -3   22   16 o  229.664   9.8958  661.315   56.754  664.815   79.678  657.710   80.859  229.385   13.977  228.095   14.268 1.289825 19.97269 
1 1 1   -3   22   17 o  176.220   9.4814  390.361   41.570  370.994   57.594  411.422   60.061  171.163   13.586  180.330   13.434 -9.166443 19.10648 
1 1 1   -3   22   18 o  529.446   16.972  3545.13  224.396  3403.96  316.736  3687.39  317.956  515.187   24.620  536.714   23.723 -21.52734 34.18944 
1 1 1   -3   22   19 o  428.354   14.462  2313.20  154.696  2334.72  218.203  2291.46  219.348  428.312   20.401  424.204   20.707 4.108582 29.06820 
1 1 1   -3   22   20 o  557.625   18.057  3943.21  251.436  3914.85  354.962  3971.76  356.211  551.219   25.787  555.277   25.689 -4.057617 36.39931 
1 1 1   -3   22   21 o  271.983   10.584  928.794   71.885  901.821  100.553  956.988  102.806  266.813   15.154  274.909   15.032 -8.096069 21.34535 
1 1 1   -3   22   22 o  300.158   11.339  1132.37   84.993  1110.54  119.156  1154.98  121.268  295.818   16.192  301.706   16.154 -5.888306 22.87215 
1 1 1   -3   22   23 o  357.332   14.565  1612.27  129.969  1566.52  157.688  1709.17  229.516  350.737   18.065  362.970   25.483 -12.23346 31.23690 
1 1 1   -3   22   24 o  288.583   17.232  1060.22  123.611  1281.29  171.113  818.951  178.762  315.566   21.849  248.869   29.327 66.69733 36.57129 
1 1 1   -3   22   25 o  354.886   19.140  1608.89  168.998  2094.89  237.513  1110.53  240.513  402.726   23.722  287.432   34.178 115.2939 41.60390 
1 1 1   -3   22   26 f  444.578   22.183  2536.49  246.272  3189.81  347.156  1874.64  349.416  493.707   28.276  370.949   38.270 122.7575 47.58303 
1 1 1   -3   22   27 o  172.917   11.616  377.874   49.868  501.552   82.292  306.098   62.690  198.153   16.788  154.537   16.500 43.61650 23.53930 
1 1 1   -3   22   28 o  321.020   14.624  1302.70  117.234  1690.78  200.904  1102.33  144.360  362.155   22.324  293.173   19.835 68.98181 29.86269 
1 1 1   -3   22   29 o   87.818   11.227   98.545   24.057   45.717   34.069  151.079   33.974   60.676   19.675  108.761   12.751 -48.08464 23.44526 
1 1 1   -3   22   30 o  267.557   12.629  902.231   84.382  991.118  141.887  853.589  104.961  277.578   20.617  258.952   16.315 18.62610 26.29115 
1 1 1   -3   22   31 o  414.454   16.462  2179.38  170.374  2213.37  291.680  2161.78  209.906  410.259   28.650  411.005   20.452 -0.7451782 35.20111 
1 1 1   -3   22   32 o  181.718   11.082  416.883   50.047  380.144   79.541  440.958   64.390  171.679   18.865  186.328   13.939 -14.64914 23.45585 
1 1 1   -3   22   33 o  194.389   22.717  492.822  108.194   0.0000   0.0000  492.822  108.194  ?   ?   194.389   22.717 0.000000 22.71706 
1 1 1   -3   22   34 o  212.962   22.991  591.457  120.328   0.0000   0.0000  591.457  120.328  ?   ?   212.962   22.991 0.000000 22.99112 
1 1 1   -3   22   35 o  147.364   25.269  289.617   89.640   0.0000   0.0000  289.617   89.640  ?   ?   147.364   25.269 0.000000 25.26866 
1 1 1   -3   22   36 o  255.191   16.481  832.166  104.464  1032.02  151.081  649.086  144.602  282.069   21.613  221.058   26.739 61.01175 34.38137 
1 1 1   -3   22   37 o  172.101   12.919  376.687   55.116  371.394  111.539  378.397   63.396  165.582   27.972  171.978   14.909 -6.396103 31.69695 
1 1 1   -3   22   38 o   82.041   16.356   88.890   32.333   74.634   85.774   91.252   34.908   82.186   30.854   82.914   17.414 -0.7285080 35.42889 
1 1 1   -3   22   39 f   71.530   17.062   68.297   30.051  141.730   85.255   57.879   32.112  100.899   30.917   66.007   18.655 34.89154 36.10847 
1 1 1   -3   22   40 o  120.736   12.918  187.504   38.345  306.839   98.916  166.400   41.597  148.460   27.700  113.038   15.115 35.42194 31.55552 
1 1 1   -3   22   41 o   83.960   15.558   93.477   31.418  126.722   99.503   89.795   33.112   95.788   33.617   81.921   16.751 13.86629 37.55971 
1 1 1   -3   22   42 o  141.843   13.101  259.771   45.882  168.111  112.438  278.083   50.256  105.882   35.789  146.498   13.904 -40.61588 38.39466 
1 1 1   -3   22   43 o  100.022   13.976  131.297   33.954  204.572  110.422  123.645   35.683  114.368   35.209   96.555   15.310 17.81271 38.39325 
1 1 1   -3   22   44 o  132.301   17.173  233.789   55.399  244.701  131.374  231.429   61.097  121.271   38.564  130.530   19.328 -9.258972 43.13617 
1 1 1   -3   22   45 o   67.521   20.172   62.932   36.624 -79.5186  126.035   76.070   38.275   64.112   30.238   73.783   20.188 -9.670380 36.35781 
1 1 1   -3   22   46 o  148.919   13.400  289.938   49.299   0.0000   0.0000  289.938   49.299  ?   ?   148.919   13.400 0.000000 13.40025 
1 1 1   -3   23    1 o  241.703   10.353  735.632   62.487  735.632   62.487   0.0000   0.0000  241.703   10.353  ?   ?  0.000000 10.35269 
1 1 1   -3   23    2 o  253.619   10.226  809.457   64.767  857.984   94.106  765.786   89.274  259.678   14.571  245.262   14.643 14.41594 20.65747 
1 1 1   -3   23    3 o  228.758   13.784  664.564   78.372  725.474  118.060  616.573  104.793  236.849   20.152  218.505   19.407 18.34442 27.97790 
1 1 1   -3   23    4 o  208.596   10.054  547.018   52.372  526.290   76.343  565.445   71.979  203.191   15.155  211.030   13.733 -7.839264 20.45176 
1 1 1   -3   23    5 o  172.634   9.2298  375.204   39.645  392.421   58.895  360.938   53.611  175.748   13.523  168.658   12.825 7.089584 18.63769 
1 1 1   -3   23    6 o  120.001   8.9014  181.652   26.484  167.364   40.857  192.006   34.781  114.125   14.676  122.993   11.456 -8.868530 18.61812 
1 1 1   -3   23    7 o  184.859   9.1714  428.784   42.338  432.960   61.854  425.103   58.075  184.753   13.500  183.211   12.773 1.542236 18.58543 
1 1 1   -3   23    8 o  241.417   10.146  731.924   61.164  710.357   87.679  752.368   85.365  236.593   14.917  243.723   14.086 -7.129639 20.51650 
1 1 1   -3   23    9 o  337.352   17.461  1448.17  146.589  1510.29  207.337  1386.08  207.280  341.487   24.476  326.511   25.628 14.97635 35.43814 
1 1 1   -3   23   10 o  261.646   10.351  859.599   67.633  863.776   96.277  855.530   95.029  261.104   14.827  259.883   14.703 1.220947 20.88124 
1 1 1   -3   23   11 o  142.109   8.9231  254.173   31.505  269.752   45.468  239.785   43.694  145.857   12.607  137.405   12.885 8.452438 18.02649 
1 1 1   -3   23   12 o  120.196   9.1603  182.193   27.288  147.159   39.033  215.681   38.163  106.942   15.031  130.441   11.845 -23.49873 19.13737 
1 1 1   -3   23   13 o  318.307   11.633  1273.68   92.464  1229.79  130.607  1317.78  130.920  311.179   16.871  322.322   16.319 -11.14261 23.47162 
1 1 1   -3   23   14 o  224.385   9.8729  631.724   55.321  616.973   77.651  646.928   78.833  220.743   14.161  226.087   14.032 -5.343933 19.93628 
1 1 1   -3   23   15 o  312.503   11.787  1227.88   91.984  1210.27  129.740  1245.68  130.432  308.684   16.895  313.229   16.736 -4.545258 23.78089 
1 1 1   -3   23   16 o  127.762   11.667  206.889   36.812   33.021   51.633  386.631   52.498   61.557   23.740  174.913   12.093 -113.3564 26.64246 
1 1 1   -3   23   17 o  309.786   13.290  1209.14  102.814  1199.08  126.310  1228.89  176.993  307.317   16.519  308.705   23.128 -1.388184 28.42141 
1 1 1   -3   23   18 o  378.138   12.722  1800.50  120.133  1702.10  169.106  1900.75  170.691  365.473   18.590  387.015   17.662 -21.54211 25.64251 
1 1 1   -3   23   19 o  483.729   16.149  2962.40  195.077  3099.47  275.584  2824.74  276.177  491.651   22.446  468.109   23.703 23.54242 32.64479 
1 1 1   -3   23   20 o  430.481   14.222  2339.39  152.889  2214.80  215.323  2466.06  217.125  416.319   20.712  439.747   19.772 -23.42758 28.63412 
1 1 1   -3   23   21 o  152.343   9.1868  292.186   34.786  284.830   47.430  300.749   51.172  149.822   12.800  153.855   13.454 -4.033890 18.57038 
1 1 1   -3   23   22 o  155.728   9.0745  305.235   35.136  284.166   47.874  329.836   51.731  149.607   12.942  161.259   12.956 -11.65218 18.31212 
1 1 1   -3   23   23 o  145.209   9.0659  265.536   32.710  260.533   44.300  271.532   48.503  143.276   12.507  146.111   13.444 -2.835052 18.36213 
1 1 1   -3   23   24 f  401.527   14.116  2036.45  141.542  2131.87  199.376  1939.51  200.974  408.680   19.536  388.742   20.778 19.93723 28.51991 
1 1 1   -3   23   25 o  256.790   10.946  829.171   70.194  868.853   97.714  786.857  100.902  261.640   15.018  248.569   16.347 13.07060 22.19836 
1 1 1   -3   23   26 o  341.715   19.076  1493.95  162.134  1941.99  227.010  1027.44  231.644  387.353   23.581  275.617   34.406 111.7366 41.71088 
1 1 1   -3   23   27 o  158.912   17.792  325.071   69.394  325.071   69.394   0.0000   0.0000  158.912   17.792  ?   ?  0.000000 17.79217 
1 1 1   -3   23   28 o  163.072   14.660  338.956   59.060  410.931   76.434  232.308   93.040  179.006   17.315  130.703   29.238 48.30316 33.98028 
1 1 1   -3   23   29 o  128.056   15.724  210.790   49.225  304.317   61.467   43.552   82.195  154.079   16.219   74.487   29.584 79.59205 33.73846 
1 1 1   -3   23   30 o  225.467   16.694  648.919   93.326  883.586  126.067  364.385  138.817  262.346   19.380  162.044   35.304 100.3012 40.27340 
1 1 1   -3   23   31 o  238.258   16.411  723.884   97.046  884.968  130.591  525.210  145.030  262.245   20.094  197.626   30.359 64.61934 36.40644 
1 1 1   -3   23   32 o  217.244   15.733  601.482   84.772  708.686  112.071  458.110  129.604  234.755   19.288  184.804   29.042 49.95126 34.86320 
1 1 1   -3   23   33 f   81.785   16.528   87.931   32.594   85.416   36.464   97.927   72.706   80.264   18.562   87.468   28.761 -7.203491 34.23095 
1 1 1   -3   23   34 o   54.682   24.156 -15.7986   64.766   0.0000   0.0000 -15.7986   64.766  ?   ?    54.682   24.156 0.000000 24.15606 
1 1 1   -3   23   35 o   96.071   29.306  123.753   76.711   0.0000   0.0000  123.753   76.711  ?   ?    96.071   29.306 0.000000 29.30611 
1 1 1   -3   23   36 o  345.059   18.789  1530.95  161.289  1802.80  229.467  1265.50  226.752  370.537   24.944  306.822   29.978 63.71524 38.99850 
1 1 1   -3   23   37 o  153.651   12.385  300.452   47.116  384.060   95.738  273.730   54.124  170.241   23.118  145.939   15.068 24.30209 27.59546 
1 1 1   -3   23   38 o  229.295   12.809  668.742   73.051  663.189  137.916  670.908   86.125  222.614   25.256  228.833   15.157 -6.219574 29.45543 
1 1 1   -3   23   39 o  159.378   11.984  323.836   47.348  408.788  103.109  301.136   53.300  174.048   24.393  153.047   14.105 21.00098 28.17772 
1 1 1   -3   23   40 o  203.222   12.318  527.169   62.216  606.654  130.453  503.766   70.786  211.101   25.247  197.842   14.427 13.25905 29.07878 
1 1 1   -3   23   41 o   96.136   15.415  121.934   35.757  106.994   99.188  124.165   38.334   90.290   33.320   96.685   16.468 -6.394066 37.16682 
1 1 1   -3   23   42 o  134.033   12.734  232.045   42.110  346.865  111.122  212.791   45.504  154.198   29.938  127.659   14.533 26.53875 33.27877 
1 1 1   -3   23   43 o   80.019   16.562   86.596   32.004 -34.7882  108.296   98.211   33.500   64.959   29.725   85.432   16.297 -20.47319 33.89934 
1 1 1   -3   23   44 o   70.411   17.262   67.919   30.118  128.866  125.376   64.187   31.026   94.697   36.860   68.340   17.949 26.35708 40.99802 
1 1 1   -3   23   45 o   50.910   17.230   32.767   26.061   25.781  126.681   33.075   26.630   76.516   33.794   51.217   17.417 25.29881 38.01762 
1 1 1   -3   23   46 o   91.828   20.753  119.420   46.470   0.0000   0.0000  119.420   46.470  ?   ?    91.828   20.753 0.000000 20.75320 
1 1 1   -3   24    1 o  161.546   9.6024  329.656   38.563  332.568   59.049  327.490   50.921  160.984   14.856  160.291   12.829 0.6937561 19.62872 
1 1 1   -3   24    2 o  230.214   9.6212  666.980   55.311  711.957   81.469  628.521   75.334  236.468   13.857  222.199   13.643 14.26851 19.44595 
1 1 1   -3   24    3 o  165.944   9.5541  347.535   39.424  343.041   59.702  351.010   52.499  163.661   14.767  166.090   12.755 -2.428467 19.51319 
1 1 1   -3   24    4 o  332.946   12.209  1400.44  101.507  1416.30  145.451  1385.38  141.728  332.320   17.590  328.792   17.323 3.527924 24.68761 
1 1 1   -3   24    5 o  251.019   15.685  804.392   97.829  691.467  142.832  904.179  134.267  228.568   25.457  264.190   20.513 -35.62202 32.69262 
1 1 1   -3   24    6 o  166.836   9.2795  350.784   38.508  358.714   57.209  344.214   52.069  167.798   13.774  164.582   12.769 3.215988 18.78258 
1 1 1   -3   24    7 o  225.333   10.092  638.507   56.790  647.597   82.113  630.173   78.626  225.591   14.656  222.648   14.216 2.943161 20.41737 
1 1 1   -3   24    8 o  165.425   8.8658  344.472   36.491  362.659   54.041  329.229   49.473  169.000   12.903  161.084   12.394 7.915955 17.89106 
1 1 1   -3   24    9 o  407.304   13.883  2097.56  141.210  2174.06  200.612  2022.44  198.801  412.174   19.491  396.754   20.131 15.41949 28.02062 
1 1 1   -3   24   10 o  187.851   13.590  448.027   63.318  574.250   89.288  320.341   89.805  211.864   17.020  155.786   23.843 56.07825 29.29477 
1 1 1   -3   24   11 o  367.694   18.589  1728.50  170.132  1669.69  240.060  1787.83  241.148  356.696   27.155  369.715   26.291 -13.01926 37.79675 
1 1 1   -3   24   12 o  549.331   17.705  3839.98  242.873  3785.97  343.556  3893.93  343.391  540.050   25.475  548.008   25.093 -7.957275 35.75794 
1 1 1   -3   24   13 o  191.095   9.6853  459.685   46.067  436.022   65.259  483.188   65.039  185.222   14.218  195.216   13.423 -9.993835 19.55305 
1 1 1   -3   24   14 o  296.759   11.302  1107.97   83.751  1094.05  118.349  1121.93  118.536  293.289   16.222  297.074   16.038 -3.784790 22.81162 
1 1 1   -3   24   15 o  276.982   10.779  964.523   74.555  945.417  105.173  983.821  105.702  272.807   15.502  278.381   15.263 -5.574677 21.75525 
1 1 1   -3   24   16 o  245.182   10.202  755.225   62.461  706.188   87.807  805.456   88.869  235.794   14.990  252.101   14.174 -16.30693 20.63018 
1 1 1   -3   24   17 o  384.418   13.617  1865.52  130.717  1933.26  184.561  1797.34  185.163  389.333   18.983  374.537   19.868 14.79605 27.47941 
1 1 1   -3   24   18 o  468.159   22.195  2817.39  259.477  2783.00  367.086  2851.72  366.825  457.043   32.373  463.076   31.917 -6.032745 45.46053 
1 1 1   -3   24   19 o  119.653   8.9250  180.602   26.476  130.463   35.651  242.257   39.534  100.564   14.625  138.265   11.556 -37.70077 18.63939 
1 1 1   -3   24   20 o  218.731   9.7460  600.820   53.234  550.819   73.764  655.164   76.901  208.280   14.268  227.398   13.605 -19.11836 19.71488 
1 1 1   -3   24   21 o  135.707   9.1773  232.170   30.918  214.693   41.786  253.313   45.960  129.817   13.067  141.089   13.198 -11.27126 18.57287 
1 1 1   -3   24   22 o  114.666   9.3981  166.148   26.674  161.503   35.730  171.997   40.093  112.430   12.964  115.827   14.156 -3.396957 19.19495 
1 1 1   -3   24   23 o  148.322   9.0354  277.080   33.306  240.848   44.771  321.981   49.840  137.535   13.198  159.314   12.631 -21.77904 18.26830 
1 1 1   -3   24   24 o  322.105   11.834  1306.75   95.191  1300.66  133.179  1313.11  136.109  319.554   16.748  320.972   17.042 -1.417419 23.89395 
1 1 1   -3   24   25 o  169.083   14.070  363.786   58.869   0.0000   0.0000  363.786   58.869  ?   ?   169.083   14.070 0.000000 14.07006 
1 1 1   -3   24   26 o  304.648   16.331  1181.50  123.785  1181.50  123.785   0.0000   0.0000  304.648   16.331  ?   ?  0.000000 16.33066 
1 1 1   -3   24   27 o  130.934   9.5633  216.418   31.052  217.094   41.271  215.536   47.142  130.576   12.822  129.681   14.824 0.8946686 19.59986 
1 1 1   -3   24   28 o  184.286   9.8297  427.823   45.073  480.679   61.458  366.309   66.301  194.814   12.703  169.230   15.874 25.58371 20.33115 
1 1 1   -3   24   29 o  115.670   12.421  170.576   35.317  189.723   39.474   93.766   79.062  121.909   13.176   87.178   30.002 34.73112 32.76741 
1 1 1   -3   24   30 o  205.592   11.584  533.951   59.231  535.102   69.064  530.752  115.175  205.380   13.542  201.483   23.322 3.896622 26.96906 
1 1 1   -3   24   31 o  373.443   19.929  1791.07  185.182  1945.12  256.296  1622.80  267.859  384.952   26.829  348.557   31.101 36.39468 41.07373 
1 1 1   -3   24   32 o  234.898   14.777  701.599   86.238  664.299  112.298  755.214  134.638  226.833   20.031  240.900   22.647 -14.06696 30.23442 
1 1 1   -3   24   33 o  192.531   15.518  473.348   73.976  553.693   94.620  347.025  118.644  207.414   18.461  159.285   30.943 48.12843 36.03162 
1 1 1   -3   24   34 o  111.499   29.976  170.893   85.267   0.0000   0.0000  170.893   85.267  ?   ?   111.499   29.976 0.000000 29.97610 
1 1 1   -3   24   35 o  122.984   28.953  208.159   87.443   0.0000   0.0000  208.159   87.443  ?   ?   122.984   28.953 0.000000 28.95252 
1 1 1   -3   24   36 o  239.955   16.734  738.901   99.645  912.179  141.588  568.855  140.261  264.431   21.631  205.322   28.093 59.10861 35.45582 
1 1 1   -3   24   37 o  188.385   16.972  458.263   78.987  579.927  112.910  341.659  110.537  209.949   21.856  157.333   29.210 52.61589 36.48155 
1 1 1   -3   24   38 o  172.531   13.035  380.272   55.747  477.354  107.747  344.783   65.144  189.073   23.314  163.223   16.196 25.84949 28.38807 
1 1 1   -3   24   39 o  141.310   12.855  256.146   44.867  431.704   96.413  207.616   50.691  179.820   21.925  125.974   16.511 53.84629 27.44653 
1 1 1   -3   24   40 o   85.519   16.631   97.614   34.238  133.186   92.303   91.939   36.868   97.048   32.428   82.470   18.373 14.57764 37.27103 
1 1 1   -3   24   41 o   77.586   16.796   81.131   31.599   73.878   91.029   82.125   33.694   80.592   31.397   77.826   17.733 2.766136 36.05880 
1 1 1   -3   24   42 o  100.470   15.049  133.414   36.594  174.475  103.857  127.594   39.102  106.603   34.329   97.636   16.634 8.966904 38.14675 
1 1 1   -3   24   43 o  147.002   12.902  280.158   46.883  355.922  123.132  267.311   50.702  151.765   33.396  142.924   14.402 8.840836 36.36930 
1 1 1   -3   24   44 o   85.378   16.683   98.949   34.293 -126.8448  121.644  118.443   35.743   58.550   28.184   93.962   15.793 -35.41211 32.30738 
1 1 1   -3   24   45 o   59.456   18.434   47.829   30.209   0.0000   0.0000   47.829   30.209  ?   ?    59.456   18.434 0.000000 18.43424 
1 1 1   -3   25    1 o  331.546   17.511  1417.50  144.462  1418.35  204.754  1416.66  203.849  326.079   25.345  325.967   25.240 0.1115417 35.76846 
1 1 1   -3   25    2 f  186.564   10.182  440.138   47.255  443.854   71.157  437.206   63.204  185.840   15.474  184.978   13.782 0.8627777 20.72132 
1 1 1   -3   25    3 o  209.257   10.131  551.896   52.942  520.027   78.624  578.333   71.610  201.219   15.773  213.026   13.532 -11.80637 20.78234 
1 1 1   -3   25    4 o  227.317   10.536  651.541   59.809  620.554   87.708  678.475   81.770  219.879   16.085  230.616   14.269 -10.73741 21.50217 
1 1 1   -3   25    5 o  143.328   9.6227  259.668   34.241  231.807   53.243  279.319   44.715  133.831   16.266  148.145   12.195 -14.31323 20.32978 
1 1 1   -3   25    6 o  338.541   18.403  1475.14  154.990  1339.61  222.899  1602.01  215.658  316.014   28.554  348.564   24.941 -32.55063 37.91288 
1 1 1   -3   25    7 o  127.924   11.454  208.074   36.202  180.202   72.132  217.459   41.855  115.042   25.751  130.464   13.021 -15.42158 28.85544 
1 1 1   -3   25    8 o  223.257   9.9921  627.188   55.707  634.292   80.611  620.695   77.072  223.105   14.549  220.841   14.048 2.263306 20.22416 
1 1 1   -3   25    9 o  139.225   9.3548  244.705   32.335  212.682   48.499  270.331   43.385  128.490   15.423  145.867   12.017 -17.37691 19.55237 
1 1 1   -3   25   10 o  169.389   9.0570  361.433   38.172  381.647   55.879  343.747   52.268  173.282   13.009  164.446   12.830 8.835678 18.27071 
1 1 1   -3   25   11 o  332.100   12.361  1392.27  102.509  1299.20  145.477  1484.05  144.467  318.221   18.385  341.236   16.954 -23.01541 25.00887 
1 1 1   -3   25   12 o  462.580   22.277  2765.52  257.335  2873.11  363.708  2657.67  364.145  462.710   31.667  443.527   33.117 19.18259 45.82074 
1 1 1   -3   25   13 o  171.401   13.831  374.002   58.696  446.904   81.382  294.968   84.736  186.388   17.697  149.262   23.511 37.12619 29.42745 
1 1 1   -3   25   14 o  326.977   11.795  1347.65   96.308  1350.08  136.238  1345.23  136.163  325.274   16.830  324.680   16.852 0.5943909 23.81684 
1 1 1   -3   25   15 o   94.398   10.391  113.401   24.088   90.390   33.985  136.634   34.148   82.827   17.001  103.108   13.594 -20.28094 21.76716 
1 1 1   -3   25   16 o  183.514   9.5629  424.206   43.672  384.095   61.343  465.430   62.189  173.644   14.273  191.541   13.080 -17.89708 19.35969 
1 1 1   -3   25   17 o  213.951   9.9550  575.332   53.187  577.150   74.493  573.441   75.965  213.144   14.075  212.368   14.410 0.7765656 20.14286 
1 1 1   -3   25   18 o  271.199   10.976  925.691   74.333  977.974  104.561  872.269  105.693  277.362   15.154  261.540   16.263 15.82129 22.22914 
1 1 1   -3   25   19 o  189.202   9.4235  449.599   44.523  427.036   61.607  474.269   64.418  183.339   13.552  193.292   13.429 -9.953369 19.07892 
1 1 1   -3   25   20 o  284.440   15.559  1029.30  110.093  978.000  155.801  1080.46  155.591  274.261   22.960  288.943   21.723 -14.68158 31.60729 
1 1 1   -3   25   21 o  381.123   18.853  1856.38  179.435  1822.28  253.818  1890.44  253.701  371.939   27.523  379.257   26.963 -7.318085 38.52972 
1 1 1   -3   25   22 o  214.753   9.9689  579.629   53.461  542.387   73.772  620.820   77.583  206.527   14.394  221.092   14.126 -14.56554 20.16763 
1 1 1   -3   25   23 f  166.554   9.0600  349.261   37.540  293.861   50.764  416.119   55.767  151.915   13.523  181.224   12.397 -29.30988 18.34576 
1 1 1   -3   25   24 o  261.889   10.367  862.471   67.798  806.625   94.071  922.832   97.800  251.860   15.025  269.588   14.582 -17.72818 20.93769 
1 1 1   -3   25   25 o  258.169   10.548  838.351   68.001  841.533   93.866  834.836   98.649  257.381   14.665  256.097   15.498 1.284363 21.33694 
1 1 1   -3   25   26 o  293.207   11.484  1082.81   84.082  1065.89  116.681  1101.09  121.271  289.232   16.220  293.846   16.595 -4.614838 23.20516 
1 1 1   -3   25   27 o  185.257   9.9760  432.572   45.981  446.833   62.415  415.646   67.997  187.598   13.412  180.458   15.231 7.139038 20.29460 
1 1 1   -3   25   28 o  198.990   9.9029  497.633   49.209  476.270   66.863  522.877   72.685  193.581   13.925  202.744   14.451 -9.163162 20.06806 
1 1 1   -3   25   29 o  100.507   10.439  128.387   25.819  131.866   33.541  123.328   40.447  101.269   13.607   97.035   17.328 4.233749 22.03221 
1 1 1   -3   25   30 o  260.019   11.414  851.630   74.115  952.651  102.671  741.706  107.099  273.721   15.079  240.484   17.964 33.23743 23.45344 
1 1 1   -3   25   31 o  171.243   10.125  369.994   43.107  399.127   57.899  333.762   64.569  177.260   13.174  161.260   16.256 16.00008 20.92404 
1 1 1   -3   25   32 o  146.481   10.386  271.269   37.744  281.178   50.409  258.628   56.941  148.468   13.753  141.694   16.395 6.774033 21.39953 
1 1 1   -3   25   33 o  109.022   13.453  152.546   35.850  161.630   39.237  106.634   88.209  112.064   14.351   91.946   31.687 20.11765 34.78485 
1 1 1   -3   25   34 o  116.644   13.258  174.303   37.931  181.846   41.697  138.108   91.335  118.927   14.329  101.204   32.152 17.72361 35.19982 
1 1 1   -3   25   35 o   73.719   24.005   69.508   50.693   25.042   64.139  143.518   82.747   63.336   25.789  102.220   30.272 -38.88446 39.76748 
1 1 1   -3   25   36 o  252.839   17.052  822.717  107.035  991.261  148.622  641.105  154.276  275.115   21.812  216.833   29.237 58.28273 36.47713 
1 1 1   -3   25   37 o  184.222   17.751  440.952   80.649  452.705  114.768  429.487  113.356  182.864   25.854  177.790   26.328 5.073807 36.89944 
1 1 1   -3   25   38 o   83.933   17.030   93.891   34.475   32.509   74.965  110.355   38.824   68.088   27.820   90.967   17.728 -22.87977 32.98839 
1 1 1   -3   25   39 o  115.520   14.342  173.427   40.484  204.850   89.221  165.279   45.430  119.179   30.000  111.945   16.767 7.234016 34.36792 
1 1 1   -3   25   40 o  107.035   15.016  150.300   39.031  133.926   92.550  153.843   43.046   96.698   32.471  107.788   16.519 -11.09005 36.43094 
1 1 1   -3   25   41 o  111.412   14.681  162.892   39.849   98.948   95.024  176.537   43.895   86.767   32.494  115.712   15.588 -28.94461 36.03979 
1 1 1   -3   25   42 o   72.753   17.655   72.416   31.749   65.713   89.946   73.371   33.933   77.374   30.879   73.037   18.565 4.337105 36.03056 
1 1 1   -3   25   43 f  218.677   13.296  619.949   72.261  674.277  151.536  603.960   82.210  214.194   29.083  214.452   15.455 -0.2584686 32.93423 
1 1 1   -3   25   44 o   75.262   18.138   78.388   33.688   10.633  113.048   84.992   35.292   71.344   31.695   78.332   18.362 -6.987869 36.62993 
1 1 1   -3   25   45 o   97.058   24.003  137.614   57.851   0.0000   0.0000  137.614   57.851  ?   ?    97.058   24.003 0.000000 24.00265 
1 1 1   -3   26    1 o  117.831   10.515  176.754   30.616  130.998   51.560  201.673   38.050   98.250   21.603  125.503   12.299 -27.25330 24.85871 
1 1 1   -3   26    2 o   99.836   15.377  130.241   37.106  158.467   54.212  105.362   50.896  108.644   20.738   87.871   22.946 20.77363 30.92890 
1 1 1   -3   26    3 o  175.882   9.4795  390.849   41.481  447.321   65.554  353.136   53.571  186.895   14.151  166.279   13.005 20.61618 19.21914 
1 1 1   -3   26    4 o  171.952   9.6073  373.640   41.088  383.998   63.417  366.146   53.941  172.923   14.829  169.418   12.845 3.504929 19.61932 
1 1 1   -3   26    5 o  153.565   9.1234  297.789   34.829  347.994   54.837  263.841   45.093  165.025   13.423  143.738   12.693 21.28702 18.47425 
1 1 1   -3   26    6 o   64.119   12.931   53.928   19.990   37.860   37.070   60.516   23.737   57.591   20.489   67.728   14.474 -10.13704 25.08526 
1 1 1   -3   26    7 o  160.280   9.9350  324.797   39.569  293.189   59.414  349.993   53.044  150.725   16.031  165.713   12.920 -14.98763 20.58977 
1 1 1   -3   26    8 o  109.173   14.068  153.729   37.462   98.564   65.948  180.010   45.518   86.198   27.313  117.799   15.878 -31.60081 31.59341 
1 1 1   -3   26    9 o   69.427   12.417   62.744   20.737   50.402   36.094   68.826   25.337   63.017   20.232   72.365   14.525 -9.348545 24.90623 
1 1 1   -3   26   10 o  102.854   9.5700  134.207   24.298  150.929   38.451  123.089   31.351  108.068   14.624   97.748   13.180 10.31998 19.68653 
1 1 1   -3   26   11 o  210.937   9.7299  559.794   51.252  578.548   74.162  542.648   70.910  213.140   14.012  206.444   13.835 6.695938 19.69099 
1 1 1   -3   26   12 o  426.649   14.598  2311.00  155.525  2285.34  220.432  2336.45  219.464  420.579   20.988  425.480   20.655 -4.901367 29.44742 
1 1 1   -3   26   13 o  244.774   10.250  754.169   62.651  782.478   89.249  726.665   87.970  247.931   14.478  238.784   14.826 9.146912 20.72270 
1 1 1   -3   26   14 o  118.511   14.834  180.923   42.938  186.635   57.515  173.730   64.535  118.965   20.075  113.686   23.508 5.278557 30.91353 
1 1 1   -3   26   15 o  334.572   17.825  1434.72  148.390  1526.96  208.541  1340.12  211.195  341.253   24.637  318.184   26.830 23.06888 36.42621 
1 1 1   -3   26   16 o  314.968   11.858  1251.58   93.271  1307.07  131.896  1196.07  131.913  319.907   16.567  305.652   17.354 14.25525 23.99247 
1 1 1   -3   26   17 o  337.804   12.304  1440.61  103.792  1460.48  146.381  1420.51  147.192  337.855   17.409  333.023   17.764 4.832672 24.87224 
1 1 1   -3   26   18 o  203.325   9.9931  519.929   50.739  540.506   71.207  498.706   72.317  206.165   13.912  197.772   14.749 8.393097 20.27530 
1 1 1   -3   26   19 o   92.151   10.403  108.181   23.521  118.635   32.814   97.134   33.731   95.803   14.141   86.031   16.298 9.771988 21.57728 
1 1 1   -3   26   20 o  125.703   9.5067  199.683   29.622  202.783   40.413  196.084   43.544  126.027   13.029  123.609   14.375 2.417923 19.40136 
1 1 1   -3   26   21 o  179.589   9.6248  406.498   43.007  341.882   58.973  479.902   62.855  163.617   14.587  194.458   13.019 -30.84019 19.55159 
1 1 1   -3   26   22 o  266.364   15.037  902.822   99.611  898.281  141.275  907.313  140.471  263.052   21.700  264.493   21.453 -1.440369 30.51419 
1 1 1   -3   26   23 o  191.203   13.095  464.079   62.146  442.472   87.961  485.616   87.815  184.895   19.337  194.119   18.333 -9.223907 26.64587 
1 1 1   -3   26   24 o  113.154   9.6734  162.073   27.071  105.428   35.732  238.391   41.475   89.678   16.566  136.923   12.260 -47.24543 20.60930 
1 1 1   -3   26   25 o  140.716   10.274  250.358   35.851  227.185   43.594  298.780   63.016  133.437   13.258  152.310   16.850 -18.87296 21.44086 
1 1 1   -3   26   26 o  390.494   13.796  1929.28  134.531  2016.50  188.284  1838.32  192.288  396.892   18.997  377.707   20.463 19.18500 27.92189 
1 1 1   -3   26   27 o  365.070   13.168  1684.30  120.046  1643.80  167.551  1727.01  172.080  357.970   18.809  366.925   18.844 -8.954712 26.62490 
1 1 1   -3   26   28 o   78.031   11.822   78.453   22.314   85.256   28.475   67.628   35.919   80.828   14.647   71.483   19.556 9.345276 24.43294 
1 1 1   -3   26   29 o  203.933   10.339  524.531   52.480  565.122   71.269  476.446   77.568  210.941   13.602  192.892   16.255 18.04866 21.19526 
1 1 1   -3   26   30 o  108.189   10.490  148.654   27.985  131.818   35.794  175.128   44.884  100.977   14.621  116.369   15.859 -15.39201 21.56991 
1 1 1   -3   26   31 o   56.827   14.401   42.503   20.462   29.688   25.621   65.067   33.998   50.113   17.083   70.091   18.964 -19.97762 25.52391 
1 1 1   -3   26   32 o  115.361   10.690  168.998   30.445  166.751   39.329  172.357   48.092  113.874   14.134  115.010   17.279 -1.136658 22.32378 
1 1 1   -3   26   33 o  223.283   10.679  628.126   59.545  644.307   80.914  609.013   87.942  224.853   14.488  218.005   16.271 6.847885 21.78630 
1 1 1   -3   26   34 o  240.714   11.247  731.213   67.607  785.434   92.764  669.786   98.736  248.016   15.049  228.068   17.469 19.94713 23.05744 
1 1 1   -3   26   35 o  249.247   11.435  784.985   71.170  896.044   98.109  661.627  103.399  264.811   14.897  225.996   18.483 38.81525 23.73920 
1 1 1   -3   26   36 o  359.147   15.657  1650.66  140.419  2031.70  244.338  1462.76  171.584  390.319   25.203  334.552   20.639 55.76688 32.57521 
1 1 1   -3   26   37 o  183.835   13.207  432.376   60.227  409.791  107.009  442.848   72.863  173.484   25.458  185.066   15.921 -11.58218 30.02670 
1 1 1   -3   26   38 o  171.697   13.034  378.013   55.468  477.478  101.428  335.574   66.253  188.864   21.913  160.319   16.798 28.54562 27.61107 
1 1 1   -3   26   39 o   84.571   16.906   95.878   34.456  128.191   75.479   87.372   38.726   94.782   29.098   79.994   19.551 14.78822 35.05640 
1 1 1   -3   26   40 o   81.321   18.019   89.899   35.629  110.736   90.700   86.096   38.744   89.542   32.027   79.139   19.686 10.40240 37.59380 
1 1 1   -3   26   41 o  153.129   13.014  303.524   49.292  360.184  102.095  286.302   56.287  158.711   26.709  147.608   15.502 11.10240 30.88127 
1 1 1   -3   26   42 o   97.761   16.124  128.104   37.991  160.988   98.483  122.355   41.178  101.798   33.473   94.713   18.069 7.084991 38.03916 
1 1 1   -3   26   43 o  164.246   13.421  351.507   54.566  427.350  123.728  333.194   60.798  167.998   30.621  158.771   15.533 9.226608 34.33531 
1 1 1   -3   26   44 o   82.041   18.485   93.491   36.963   0.0000   0.0000   93.491   36.963  ?   ?    82.041   18.485 0.000000 18.48541 
1 1 1   -3   27    1 o  288.701   12.298  1059.28   88.663  857.811  130.271  1233.14  121.017  255.070   20.629  309.419   15.714 -54.34979 25.93193 
1 1 1   -3   27    2 o  203.646   10.374  525.460   52.582  490.455   81.259  550.675   68.967  194.393   16.908  207.500   13.381 -13.10649 21.56226 
1 1 1   -3   27    3 o  151.894   10.555  292.953   39.788  287.373   64.100  296.451   50.749  148.250   17.662  152.005   13.510 -3.754440 22.23710 
1 1 1   -3   27    4 o   93.688   16.868  116.055   38.012  107.496   56.080  123.330   51.701   88.544   24.522   95.154   22.170 -6.609467 33.05799 
1 1 1   -3   27    5 o  110.828   10.497  156.450   28.704  131.286   48.678  169.865   35.541   98.783   20.409  115.049   12.575 -16.26656 23.97184 
1 1 1   -3   27    6 o  150.441   9.5275  286.283   35.608  296.208   56.318  279.672   45.961  151.601   15.076  147.986   12.555 3.615402 19.61975 
1 1 1   -3   27    7 o  128.705   9.7895  209.943   31.228  194.966   49.922  219.570   40.025  122.238   16.798  131.074   12.375 -8.836281 20.86440 
1 1 1   -3   27    8 o  174.002   9.8235  382.694   42.510  370.501   63.867  392.392   56.961  169.755   15.228  175.380   13.101 -5.625000 20.08786 
1 1 1   -3   27    9 o  265.524   10.850  889.940   71.944  883.670  103.779  895.741   99.825  262.513   15.906  264.618   15.170 -2.105560 21.98030 
1 1 1   -3   27   10 o  291.213   16.460  1088.07  119.207  1042.92  173.585  1128.37  163.993  280.205   25.073  293.168   22.574 -12.96335 33.73757 
1 1 1   -3   27   11 o  151.767   10.433  291.694   39.301  219.076   57.893  353.767   53.524  129.348   18.445  166.607   12.967 -37.25874 22.54731 
1 1 1   -3   27   12 o  387.004   13.595  1900.01  131.387  1921.44  186.850  1879.04  184.786  385.558   19.470  381.268   19.473 4.289642 27.53686 
1 1 1   -3   27   13 o  291.487   11.506  1072.80   83.751  1059.84  119.262  1085.41  117.639  287.516   16.683  291.169   16.244 -3.653473 23.28455 
1 1 1   -3   27   14 o  110.960   10.543  156.510   28.861  129.122   42.405  180.146   39.393   98.992   17.809  118.475   13.559 -19.48312 22.38316 
1 1 1   -3   27   15 o   99.328   10.642  125.710   25.986   85.755   38.462  159.263   35.247   80.095   19.429  111.469   12.901 -31.37342 23.32207 
1 1 1   -3   27   16 o  411.814   20.508  2189.43  210.895  2196.56  295.909  2182.07  300.647  404.610   29.490  402.672   30.117 1.937256 42.15064 
1 1 1   -3   27   17 o  188.587   10.118  448.940   47.476  438.422   67.331  459.340   66.952  185.251   14.675  189.769   14.232 -4.517792 20.44248 
1 1 1   -3   27   18 o  100.515   10.646  128.659   26.315  104.342   37.354  152.617   37.078   88.905   17.448  108.878   13.959 -19.97352 22.34499 
1 1 1   -3   27   19 o  220.157   10.385  610.267   57.094  587.274   80.012  634.119   81.494  214.496   15.033  223.024   14.715 -8.527603 21.03625 
1 1 1   -3   27   20 o  167.264   9.6179  352.952   40.004  373.252   55.414  330.857   57.811  171.299   13.052  160.851   14.550 10.44806 19.54646 
1 1 1   -3   27   21 o  200.186   9.8419  504.070   49.200  453.946   68.082  558.860   71.180  188.616   14.567  209.646   13.671 -21.02940 19.97770 
1 1 1   -3   27   22 o  284.169   11.359  1018.11   80.603  984.343  112.381  1053.88  115.671  277.556   16.285  287.260   16.191 -9.704071 22.96437 
1 1 1   -3   27   23 o  144.706   14.866  268.430   52.957   0.0000   0.0000  268.430   52.957  ?   ?   144.706   14.866 0.000000 14.86642 
1 1 1   -3   27   24 o  189.409   19.153  464.472   89.346  464.472   89.346   0.0000   0.0000  189.409   19.153  ?   ?  0.000000 19.15289 
1 1 1   -3   27   25 o  327.707   17.133  1373.66  139.723  1316.60  197.656  1430.66  197.542  316.456   25.221  330.667   24.089 -14.21155 34.87664 
1 1 1   -3   27   26 o  285.168   11.766  1025.83   83.788  1021.01  116.043  1031.09  121.108  282.650   16.513  283.783   17.171 -1.133362 23.82209 
1 1 1   -3   27   27 o  144.714   9.6211  264.427   34.570  235.092   45.406  304.883   53.323  135.635   13.589  154.538   13.968 -18.90282 19.48756 
1 1 1   -3   27   28 o  348.082   12.676  1531.11  110.184  1518.63  152.687  1544.68  159.162  344.228   17.824  346.861   18.441 -2.633331 25.64703 
1 1 1   -3   27   29 o  131.576   10.000  219.032   32.612  186.596   42.244  266.877   51.306  120.504   14.318  144.375   14.424 -23.87177 20.32383 
1 1 1   -3   27   30 o  139.661   10.126  246.730   35.075  254.318   45.869  236.046   54.429  141.186   13.162  135.150   16.468 6.036270 21.08119 
1 1 1   -3   27   31 o  133.756   10.092  226.437   33.459  196.985   43.011  271.579   53.249  123.854   14.161  145.491   14.865 -21.63720 20.53053 
1 1 1   -3   27   32 o  181.013   10.313  414.021   46.423  415.652   61.499  411.862   70.779  180.547   13.744  179.064   15.997 1.483398 21.09027 
1 1 1   -3   27   33 o  273.374   11.557  944.056   78.899  1022.98  108.327  854.878  115.146  282.917   15.391  257.441   18.025 25.47574 23.70165 
1 1 1   -3   27   34 o  251.296   11.511  798.344   72.236  903.882   99.257  679.504  105.326  265.847   15.013  228.901   18.587 36.94608 23.89253 
1 1 1   -3   27   35 o  127.094   10.572  205.374   33.248  220.165   43.103  183.645   52.244  130.941   13.369  117.999   18.324 12.94095 22.68320 
1 1 1   -3   27   36 o  313.390   12.888  1249.58  100.858  1432.96  140.258  1053.23  145.136  332.973   16.924  282.950   20.684 50.02264 26.72534 
1 1 1   -3   27   37 o   82.967   17.133   92.134   34.321  131.999   64.760   76.564   40.472   96.971   26.147   75.067   20.847 21.90401 33.44022 
1 1 1   -3   27   38 o  125.382   13.623  203.594   41.968  233.747   78.948  191.717   49.549  129.322   25.353  120.467   16.939 8.855263 30.49102 
1 1 1   -3   27   39 o  135.787   13.830  239.365   46.242  338.879   89.159  202.745   54.085  156.790   23.495  123.174   18.126 33.61658 29.67433 
1 1 1   -3   27   40 o   58.570   18.717   45.126   30.918   23.587   70.214   50.306   34.436   63.054   26.446   61.631   19.759 1.423321 33.01227 
1 1 1   -3   27   41 o  120.779   14.278  191.545   42.229  253.234   86.966  172.512   48.307  131.543   27.366  113.092   17.684 18.45094 32.58254 
1 1 1   -3   27   42 o   76.563   18.533   81.240   35.054   83.493   86.205   80.793   38.370   80.046   30.725   75.974   19.964 4.072289 36.64147 
1 1 1   -3   27   43 o   65.343   19.943   58.936   35.517   0.0000   0.0000   58.936   35.517  ?   ?    65.343   19.943 0.000000 19.94302 
1 1 1   -3   28    1 o  188.506   16.151  461.968   75.293  377.962  141.990  494.830   88.808  158.063   36.681  193.939   18.564 -35.87563 41.11083 
1 1 1   -3   28    2 o  108.684   11.693  151.670   31.236  133.271   57.253  159.467   37.272   98.083   23.650  110.908   13.753 -12.82528 27.35840 
1 1 1   -3   28    3 o  319.553   12.349  1298.65   98.544  1275.58  145.370  1318.26  134.044  312.550   18.711  319.043   16.885 -6.493805 25.20342 
1 1 1   -3   28    4 o   85.133   11.920   93.689   24.646  161.827   47.914   69.176   28.739  110.510   17.981   71.951   16.365 38.55840 24.31267 
1 1 1   -3   28    5 o  149.175   10.424  282.588   38.586  275.125   62.665  287.146   48.970  144.941   17.680  149.619   13.244 -4.677628 22.09007 
1 1 1   -3   28    6 o  310.190   17.121  1243.43  132.106  1196.72  186.921  1290.04  186.732  298.409   25.323  310.787   24.253 -12.37799 35.06337 
1 1 1   -3   28    7 o  259.988   11.441  855.747   74.282  774.529  108.357  927.756  102.029  244.345   17.883  268.870   15.259 -24.52515 23.50796 
1 1 1   -3   28    8 o  182.090   10.567  420.142   47.843  347.452   72.370  476.573   63.764  163.186   18.062  193.172   13.299 -29.98634 22.43032 
1 1 1   -3   28    9 o  121.717   10.242  188.219   30.842  197.292   49.533  182.473   39.415  123.004   16.545  119.080   13.493 3.924629 21.34974 
1 1 1   -3   28   10 o  135.833   9.8088  233.733   33.048  209.186   51.437  250.988   43.127  126.718   16.659  140.186   12.449 -13.46760 20.79646 
1 1 1   -3   28   11 o   89.616   11.573  103.182   25.294   92.516   42.009  109.248   31.680   82.843   20.434   91.611   14.316 -8.768257 24.94977 
1 1 1   -3   28   12 o  190.472   12.865  462.042   60.833  559.288   96.478  397.862   78.378  207.438   18.830  174.938   18.208 32.49980 26.19356 
1 1 1   -3   28   13 o  231.027   11.093  673.994   63.999  617.781   91.918  726.887   89.162  218.949   16.943  238.353   15.057 -19.40337 22.66712 
1 1 1   -3   28   14 o  200.539   10.283  508.228   51.322  538.517   73.977  480.125   71.258  205.241   14.528  193.636   14.850 11.60432 20.77434 
1 1 1   -3   28   15 o   86.847   11.732   96.985   24.792   65.648   37.898  120.427   32.778   70.397   20.386   96.418   14.025 -26.02094 24.74423 
1 1 1   -3   28   16 o   99.893   10.865  127.313   26.666  114.541   39.849  137.670   35.885   93.055   17.797  103.156   14.316 -10.10097 22.84088 
1 1 1   -3   28   17 o  297.598   11.531  1118.45   85.693  1228.25  121.404  1009.42  120.975  309.985   15.735  280.223   17.374 29.76233 23.43991 
1 1 1   -3   28   18 o  206.936   15.272  548.007   78.363  644.971  106.533  433.686  115.676  223.027   19.319  179.482   26.615 43.54436 32.88778 
1 1 1   -3   28   19 o  149.922   10.061  284.253   37.448  264.751   53.022  303.664   52.897  143.534   15.015  154.118   13.894 -10.58382 20.45712 
1 1 1   -3   28   20 o  263.055   11.171  872.886   73.383  896.595  103.034  848.477  104.542  264.877   15.646  257.376   16.351 7.500977 22.63076 
1 1 1   -3   28   21 o  105.870   10.895  142.750   28.392   99.879   39.188  190.118   41.192   86.645   18.663  121.712   13.797 -35.06675 23.20889 
1 1 1   -3   28   22 o  186.520   14.266  443.974   65.943   0.0000   0.0000  443.974   65.943  ?   ?   186.520   14.266 0.000000 14.26582 
1 1 1   -3   28   23 o  196.011   11.731  486.691   57.157  498.349   65.879  451.202  114.944  197.923   13.408  183.774   25.754 14.14839 29.03529 
1 1 1   -3   28   24 o  192.940   10.132  469.876   48.644  478.064   66.166  460.244   71.759  193.744   13.766  189.649   15.282 4.095459 20.56754 
1 1 1   -3   28   25 o  311.232   11.971  1223.31   93.039  1170.08  129.258  1280.53  134.025  302.116   17.204  316.172   17.038 -14.05579 24.21309 
1 1 1   -3   28   26 o  141.206   12.915  254.298   45.037  256.470   64.458  252.227   62.953  140.180   18.895  139.093   18.589 1.086502 26.50630 
1 1 1   -3   28   27 o  213.863   13.852  582.205   73.580  586.555  104.635  577.950  103.491  212.518   19.950  210.970   19.878 1.547363 28.16303 
1 1 1   -3   28   28 o  162.025   10.053  331.712   40.476  352.612   53.426  303.557   62.010  166.436   12.957  153.430   16.441 13.00644 20.93258 
1 1 1   -3   28   29 o  105.256   10.454  140.910   27.114   98.937   34.359  210.196   44.145   86.698   16.473  127.982   14.043 -41.28445 21.64637 
1 1 1   -3   28   30 o  370.191   13.717  1738.35  126.807  1834.15  176.502  1636.15  182.304  377.712   18.713  355.104   20.648 22.60837 27.86554 
1 1 1   -3   28   31 o  164.093   10.176  340.533   41.494  332.844   54.251  351.371   64.409  161.422   13.585  165.244   15.802 -3.822067 20.83824 
1 1 1   -3   28   32 o   76.797   12.972   76.746   23.991   67.633   29.897   93.226   40.204   71.264   17.032   83.338   19.640 -12.07327 25.99677 
1 1 1   -3   28   33 o   77.938   12.530   78.864   23.560   75.799   29.139   84.650   40.038   75.621   15.933   79.263   20.176 -3.642159 25.70879 
1 1 1   -3   28   34 o  115.906   10.705  171.194   30.635  176.319   38.839  162.755   49.839  116.948   13.550  110.757   18.684 6.191200 23.08063 
1 1 1   -3   28   35 o  216.919   10.563  595.240   57.220  643.684   76.714  534.491   85.907  224.165   13.771  202.775   17.125 21.38953 21.97549 
1 1 1   -3   28   36 o  144.794   10.792  267.126   38.741  291.379   50.548  232.596   60.313  150.398   13.606  132.369   18.772 18.02904 23.18475 
1 1 1   -3   28   37 o  218.622   10.705  606.577   58.443  646.818   78.748  557.235   87.200  224.005   14.150  206.371   17.074 17.63338 22.17552 
1 1 1   -3   28   38 o  235.227   13.947  714.447   81.559  782.498  139.249  678.911  100.625  239.111   23.630  226.880   17.906 12.23048 29.64803 
1 1 1   -3   28   39 o  134.895   14.079  237.365   46.726  200.108   83.408  254.405   56.408  116.312   28.855  138.570   16.634 -22.25815 33.30626 
1 1 1   -3   28   40 o  105.341   15.247  147.284   38.942  185.911   75.853  133.459   45.378  112.281   27.314   98.584   19.123 13.69740 33.34280 
1 1 1   -3   28   41 o   61.873   19.061   51.992   32.358   27.402   71.529   58.319   36.282   63.575   26.680   65.246   20.198 -1.671043 33.46312 
1 1 1   -3   28   42 o  136.758   14.530  246.745   48.861  180.056   97.716  268.978   56.421  105.756   33.215  141.949   16.207 -36.19359 36.95790 
1 1 1   -3   28   43 o  107.778   17.788  158.930   46.204   0.0000   0.0000  158.930   46.204  ?   ?   107.778   17.788 0.000000 17.78763 
1 1 1   -3   29    1 o  134.776   10.745  232.148   35.862  199.567   63.880  247.142   43.335  120.556   22.031  138.479   12.672 -17.92337 25.41529 
1 1 1   -3   29    2 o  132.301   13.111  225.949   42.747  218.802   67.794  230.667   55.075  126.455   22.283  132.228   17.079 -5.773659 28.07485 
1 1 1   -3   29    3 o  137.362   12.724  242.715   43.150  496.970  128.177  210.218   45.825  188.176   28.141  127.116   14.708 61.05929 31.75282 
1 1 1   -3   29    4 o  105.292   11.581  142.461   29.947  151.873   55.739  138.642   35.507  105.324   21.906  103.143   14.159 2.181442 26.08364 
1 1 1   -3   29    5 o  113.245   11.908  164.680   33.170  166.245   67.536  164.182   38.080  109.134   25.278  112.535   13.842 -3.400803 28.81997 
1 1 1   -3   29    6 o  133.361   10.940  226.735   36.112  199.637   60.042  242.094   45.202  121.982   20.434  137.155   13.367 -15.17282 24.41759 
1 1 1   -3   29    7 o  125.379   14.044  203.137   43.215  215.089   56.646  186.495   66.842  127.624   18.298  116.599   23.763 11.02486 29.99119 
1 1 1   -3   29    8 o   42.090   17.855   2.6697   32.598   11.681   45.587  -6.7588   46.631   51.624   21.453   47.279   20.704 4.345032 29.81386 
1 1 1   -3   29    9 o  123.700   10.256  194.554   31.394  187.204   52.362  198.679   39.226  119.077   18.186  124.398   12.810 -5.320335 22.24478 
1 1 1   -3   29   10 o  112.252   11.542  161.187   31.894  122.827   52.402  183.758   40.196   94.863   22.467  119.371   13.735 -24.50851 26.33282 
1 1 1   -3   29   11 o  136.369   11.191  236.756   37.774  144.244   57.860  305.477   49.868  102.798   23.102  154.521   13.046 -51.72348 26.53093 
1 1 1   -3   29   12 o  120.761   10.171  185.274   30.388  175.360   48.976  191.480   38.748  115.529   17.526  122.157   12.897 -6.628799 21.76035 
1 1 1   -3   29   13 o  130.811   10.340  217.240   33.500  194.634   51.924  233.359   43.846  121.852   17.572  134.933   13.181 -13.08087 21.96605 
1 1 1   -3   29   14 o   63.770   16.616   54.057   26.727 -43.5247   61.773   76.530   29.645   47.862   22.100   75.963   16.127 -28.10089 27.35827 
1 1 1   -3   29   15 o   91.036   11.143  106.213   24.803   79.922   40.330  122.206   31.455   77.095   20.568   97.255   13.300 -20.15987 24.49381 
1 1 1   -3   29   16 o  298.882   11.426  1129.11   85.282  1162.40  121.248  1096.52  119.974  301.015   16.190  292.181   16.511 8.834259 23.12377 
1 1 1   -3   29   17 o  165.654   9.8714  346.920   40.650  359.491   58.611  335.269   56.426  167.572   14.138  161.799   14.106 5.773712 19.97214 
1 1 1   -3   29   18 o  241.452   10.696  735.526   64.489  776.159   91.317  695.097   91.086  246.411   14.910  232.822   15.759 13.58893 21.69520 
1 1 1   -3   29   19 o  198.734   10.242  499.074   50.655  481.073   71.144  517.583   72.140  193.851   14.809  201.227   14.452 -7.376007 20.69230 
1 1 1   -3   29   20 o  228.507   16.110  670.075   91.341  811.795  123.942  501.605  135.134  249.842   20.034  191.638   29.157 58.20444 35.37694 
1 1 1   -3   29   21 o  280.213   17.336  1009.86  120.713   0.0000   0.0000  1009.86  120.713  ?   ?   280.213   17.336 0.000000 17.33621 
1 1 1   -3   29   22 o  145.829   10.009  269.077   36.227  315.359   50.292  219.162   52.229  157.274   12.920  129.999   16.457 27.27571 20.92277 
1 1 1   -3   29   23 o  214.084   10.697  577.949   57.184  637.307   78.975  512.529   82.910  223.538   14.222  199.516   16.797 24.02237 22.00922 
1 1 1   -3   29   24 o  232.020   11.109  679.359   64.368  736.208   89.023  617.078   93.179  240.077   14.923  218.901   17.184 21.17651 22.75922 
1 1 1   -3   29   25 o  210.796   10.221  559.841   53.804  544.472   73.259  577.838   79.278  206.533   14.292  212.551   15.033 -6.018631 20.74270 
1 1 1   -3   29   26 o  117.326   10.562  174.902   30.614  178.934   40.751  169.678   46.383  117.896   14.123  114.059   16.787 3.836983 21.93721 
1 1 1   -3   29   27 o  111.522   10.547  158.159   29.023  159.119   37.994  156.814   44.974  111.106   14.005  109.498   16.999 1.608009 22.02509 
1 1 1   -3   29   28 o  222.328   14.211  630.693   78.484  547.310  111.544  712.450  110.450  203.859   22.273  234.420   19.032 -30.56049 29.29719 
1 1 1   -3   29   29 o  205.885   13.854  540.846   70.812  506.663  100.857  574.078   99.444  196.597   20.862  210.143   19.161 -13.54573 28.32633 
1 1 1   -3   29   30 o  134.451   10.785  229.612   35.905  200.128   43.941  288.847   62.283  124.609   14.386  149.176   17.024 -24.56775 22.28830 
1 1 1   -3   29   31 o   41.854   14.737   19.780   19.133   13.137   23.581   32.576   32.729   40.754   15.952   53.776   19.239 -13.02216 24.99177 
1 1 1   -3   29   32 o  110.983   10.559  156.960   28.912  145.428   36.359  176.790   47.680  105.945   14.092  116.139   16.939 -10.19348 22.03462 
1 1 1   -3   29   33 o  157.426   10.253  314.433   40.089  349.709   51.856  262.035   63.200  165.393   12.651  141.129   18.368 24.26413 22.30358 
1 1 1   -3   29   34 o   53.393   14.672   37.701   20.166   44.832   24.208   21.539   36.447   58.098   16.119   50.534   19.817 7.564278 25.54506 
1 1 1   -3   29   35 o  110.583   10.675  156.406   29.112  150.966   36.552  165.841   48.142  107.737   13.911  111.651   17.869 -3.913429 22.64588 
1 1 1   -3   29   36 o   95.418   10.942  117.121   25.602   88.574   31.609  171.564   43.651   81.376   16.125  114.198   15.724 -32.82235 22.52219 
1 1 1   -3   29   37 o  152.357   10.091  295.862   38.177  318.974   49.420  261.661   60.118  157.313   12.688  140.372   17.533 16.94072 21.64218 
1 1 1   -3   29   38 o  186.222   10.343  442.574   47.908  444.889   63.129  439.431   73.567  185.192   13.749  182.680   16.298 2.511383 21.32248 
1 1 1   -3   29   39 o  211.171   13.241  577.886   69.473  728.862  117.346  496.409   86.205  231.589   20.503  192.605   18.137 38.98413 27.37337 
1 1 1   -3   29   40 o  160.252   13.382  334.782   53.060  432.106   91.407  285.321   65.163  177.015   21.094  145.179   18.386 31.83618 27.98204 
1 1 1   -3   29   41 o   45.271   17.796   18.249   29.457 -13.8457   62.011   27.601   33.475   51.443   23.120   50.737   19.224 0.7057419 30.06801 
1 1 1   -3   29   42 o   79.831   20.741   90.802   41.723   0.0000   0.0000   90.802   41.723  ?   ?    79.831   20.741 0.000000 20.74129 
1 1 1   -3   30    1 o  140.901   11.605  255.574   40.468  196.343   72.314  282.582   48.830  116.853   25.498  147.486   13.405 -30.63341 28.80707 
1 1 1   -3   30    2 o  115.070   11.479  170.581   32.545  179.389   62.457  167.298   38.132  113.308   22.862  113.192   13.774 0.1159134 26.69071 
1 1 1   -3   30    3 o  138.432   11.208  245.552   38.414  242.181   69.629  247.027   46.057  133.027   21.709  138.054   13.534 -5.026993 25.58223 
1 1 1   -3   30    4 o  162.578   16.010  345.635   64.155  298.736  141.097  357.858   72.032  136.772   39.256  164.590   17.810 -27.81895 43.10723 
1 1 1   -3   30    5 f   55.482   14.385   41.030   20.096  164.909   52.010   19.290   21.788  110.546   19.556   42.616   15.634 67.93019 25.03697 
1 1 1   -3   30    6 o   77.176   14.131   78.609   26.230   60.273   51.801   84.932   30.418   69.350   24.260   79.832   15.817 -10.48203 28.96134 
1 1 1   -3   30    7 o   60.727   14.469   49.144   21.630   77.214   47.577   41.831   24.285   75.520   23.088   56.260   16.326 19.25998 28.27755 
1 1 1   -3   30    8 o  186.613   10.950  442.902   50.806  389.035   79.119  480.702   66.276  171.835   18.742  193.419   13.813 -21.58484 23.28205 
1 1 1   -3   30    9 o  239.139   15.533  738.069   92.254  635.725  129.106  844.846  131.872  216.866   24.255  252.545   21.104 -35.67889 32.15105 
1 1 1   -3   30   10 o   77.751   12.987   78.943   24.325  124.816   47.906   63.007   28.236   95.921   20.614   68.586   16.653 27.33495 26.49973 
1 1 1   -3   30   11 o  245.503   11.981  765.083   73.449  645.685  107.224  870.639  100.818  221.790   19.560  259.991   15.601 -38.20094 25.01947 
1 1 1   -3   30   12 o  333.449   12.464  1412.66  103.786  1429.27  149.314  1397.13  144.364  331.818   18.088  328.340   17.672 3.478180 25.28786 
1 1 1   -3   30   13 o  145.404   10.131  268.213   36.557  304.556   57.499  243.556   47.361  153.546   15.195  137.529   13.985 16.01779 20.65139 
1 1 1   -3   30   14 o  131.837   10.096  220.640   32.986  256.082   51.992  196.761   42.676  140.773   15.022  123.472   14.093 17.30110 20.59797 
1 1 1   -3   30   15 o  103.841   14.881  140.355   37.485   92.665   74.494  156.525   43.377   84.657   29.123  109.325   16.394 -24.66735 33.42003 
1 1 1   -3   30   16 o  140.302   13.775  252.849   47.641  243.734   83.088  257.313   58.149  133.280   25.898  140.578   16.903 -7.298233 30.92573 
1 1 1   -3   30   17 o  224.762   9.9044  637.048   55.590  708.569   79.628  569.048   77.643  235.652   13.589  210.648   14.856 25.00406 20.13331 
1 1 1   -3   30   18 o  149.380   10.217  282.792   37.884  314.341   55.128  254.561   52.148  156.476   14.265  140.440   15.107 16.03667 20.77778 
1 1 1   -3   30   19 o  195.129   10.425  481.821   50.614  496.134   71.917  467.774   71.246  196.723   14.747  190.877   15.070 5.845673 21.08460 
1 1 1   -3   30   20 o  150.408   10.556  286.884   39.396  331.577   56.695  245.152   54.784  160.778   14.269  137.477   16.274 23.30116 21.64358 
1 1 1   -3   30   21 o  197.523   9.9945  493.062   49.138  561.917   69.400  423.846   69.582  209.954   13.306  181.536   15.498 28.41850 20.42590 
1 1 1   -3   30   22 o  105.051   22.264  149.200   56.593  149.200   56.593   0.0000   0.0000  105.051   22.264  ?   ?  0.000000 22.26450 
1 1 1   -3   30   23 o  340.018   13.167  1467.38  111.799  1579.59  157.249  1352.68  158.980  349.862   18.060  322.614   19.830 27.24774 26.82144 
1 1 1   -3   30   24 o  250.530   11.156  792.963   69.793  821.681   96.635  761.648  100.908  253.274   15.351  243.242   16.714 10.03172 22.69409 
1 1 1   -3   30   25 f  119.293   10.814  181.088   31.865  146.537   43.483  221.168   46.833  105.648   17.063  131.016   14.561 -25.36773 22.43155 
1 1 1   -3   30   26 o  261.147   11.026  861.498   71.907  938.538   98.945  775.264  104.683  270.995   14.676  245.154   17.209 25.84114 22.61673 
1 1 1   -3   30   27 o  326.629   12.622  1352.89  102.949  1385.78  142.748  1317.24  148.611  327.835   17.500  318.860   18.746 8.974548 25.64513 
1 1 1   -3   30   28 o  132.498   10.508  222.975   34.482  176.966   45.220  286.895   53.300  116.574   15.952  149.363   14.472 -32.78928 21.53834 
1 1 1   -3   30   29 o  169.161   10.077  362.305   42.373  337.852   55.435  396.672   65.718  162.340   13.805  175.553   15.139 -13.21297 20.48838 
1 1 1   -3   30   30 o  144.033   12.841  265.648   45.700  254.615   70.302  273.723   60.141  138.166   21.040  144.923   16.938 -6.757645 27.01061 
1 1 1   -3   30   31 o   47.403   17.212   24.426   26.314  -1.4981   38.897   46.302   35.732   44.469   19.195   60.673   20.173 -16.20357 27.84629 
1 1 1   -3   30   32 o  219.199   11.511  611.366   62.787  639.467   77.291  556.838  107.664  223.235   13.934  204.539   21.395 18.69594 25.53298 
1 1 1   -3   30   33 o   80.649   12.564   84.753   24.480   76.286   30.507  100.062   41.023   75.406   16.646   85.779   19.582 -10.37309 25.70127 
1 1 1   -3   30   34 o  101.245   10.757  131.506   26.780  113.841   33.234  164.217   45.224   92.987   14.809  111.358   16.784 -18.37103 22.38326 
1 1 1   -3   30   35 o   94.221   11.428  114.654   26.339  113.824   32.616  116.209   44.657   92.958   14.526   92.062   19.997 0.8963547 24.71608 
1 1 1   -3   30   36 o  149.054   9.8859  283.197   36.588  278.902   46.505  290.174   59.275  146.906   12.805  148.371   16.265 -1.465744 20.70038 
1 1 1   -3   30   37 o  175.128   10.263  391.708   44.687  376.990   57.785  413.606   70.484  170.316   13.702  177.150   16.109 -6.833282 21.14852 
1 1 1   -3   30   38 o  190.044   10.293  461.857   48.667  455.416   63.818  470.807   75.235  186.989   13.764  188.713   16.120 -1.723495 21.19621 
1 1 1   -3   30   39 o  168.191   10.848  363.603   45.320  387.311   59.420  330.632   70.073  172.034   13.952  156.321   18.297 15.71313 23.00925 
1 1 1   -3   30   40 o  166.770   13.061  362.842   53.958  350.758   89.132  369.833   67.790  156.866   23.475  166.269   16.547 -9.403275 28.72093 
1 1 1   -3   30   41 o  146.281   13.937  281.892   50.294  285.651   83.875  279.781   62.846  139.821   24.936  143.350   17.950 -3.528580 30.72482 
1 1 1   -3   30   42 o  105.089   18.393  153.043   46.510   0.0000   0.0000  153.043   46.510  ?   ?   105.089   18.393 0.000000 18.39338 
1 1 1   -3   31    1 o   37.306   16.842 -13.1968   33.345 -74.8912   49.095   39.635   45.432   35.805   17.395   58.870   22.374 -23.06459 28.34104 
1 1 1   -3   31    2 o   72.302   14.788   70.518   25.800   51.070   57.441   75.433   28.877   65.925   25.134   74.442   16.010 -8.517242 29.79961 
1 1 1   -3   31    3 o   97.257   13.116  124.035   31.043   32.997   61.751  154.824   35.911   62.270   25.324  108.679   13.525 -46.40850 28.70922 
1 1 1   -3   31    4 f   72.835   14.828   71.137   26.052   29.833   57.166   81.964   29.268   60.252   24.416   78.084   15.557 -17.83203 28.95041 
1 1 1   -3   31    5 o   92.675   12.740  112.071   28.703   77.965   59.695  122.327   32.735   76.099   26.075   96.484   13.995 -20.38547 29.59362 
1 1 1   -3   31    6 o  112.088   16.048  166.209   43.636  178.865  129.876  164.598   46.329  107.962   38.356  111.064   17.265 -3.101311 42.06282 
1 1 1   -3   31    7 o  113.040   11.596  164.414   32.270  173.071   59.723  160.844   38.351  112.003   22.138  111.000   14.158 1.002350 26.27797 
1 1 1   -3   31    8 o  115.068   12.108  170.587   34.269  140.133   60.490  184.981   41.587   99.837   24.456  119.193   14.255 -19.35622 28.30736 
1 1 1   -3   31    9 o   58.801   15.231   46.213   22.543   42.841   50.618   47.048   25.178   62.901   23.685   59.342   16.430 3.558876 28.82553 
1 1 1   -3   31   10 o  186.243   11.375  442.208   52.650  355.408   81.654  503.977   68.882  163.096   20.502  197.836   14.034 -34.73946 24.84488 
1 1 1   -3   31   11 o  151.336   16.154  298.665   60.103  282.312   82.218  317.434   88.083  143.684   23.744  152.429   23.929 -8.744751 33.70959 
1 1 1   -3   31   12 o  156.449   11.541  312.362   44.771  259.844   69.762  349.139   58.378  139.274   20.687  164.510   14.354 -25.23625 25.17933 
1 1 1   -3   31   13 o   95.396   11.708  117.179   27.305  150.433   50.116  103.140   32.563  105.777   19.698   88.463   15.294 17.31425 24.93803 
1 1 1   -3   31   14 o   91.419   12.181  107.970   27.117  107.660   47.878  108.117   32.903   88.691   21.777   90.719   15.051 -2.028877 26.47249 
1 1 1   -3   31   15 o  178.639   11.495  406.221   51.008  332.817   75.386  468.200   69.272  158.769   19.419  190.734   14.656 -31.96510 24.32874 
1 1 1   -3   31   16 o  314.086   12.510  1253.90   98.120  1183.69  140.015  1321.66  137.543  301.392   18.696  319.475   17.305 -18.08356 25.47535 
1 1 1   -3   31   17 o  172.704   13.395  382.083   57.319  467.126   98.815  338.958   70.367  187.574   21.483  161.040   17.795 26.53383 27.89633 
1 1 1   -3   31   18 o   98.467   14.505  126.329   34.598  152.047   74.182  119.180   39.112  104.068   27.952   94.837   17.146 9.231949 32.79203 
1 1 1   -3   31   19 o  262.594   11.363  873.137   74.514  869.570  106.159  876.600  104.616  259.606   16.461  260.818   16.142 -1.211334 23.05434 
1 1 1   -3   31   20 o  102.386   13.198  135.417   32.958  135.011   61.542  135.580   39.026   98.866   24.932  101.715   15.884 -2.849525 29.56146 
1 1 1   -3   31   21 o  302.068   17.078  1178.26  128.297  1178.26  128.297   0.0000   0.0000  302.068   17.078  ?   ?  0.000000 17.07825 
1 1 1   -3   31   22 o  154.483   10.263  302.602   39.366  312.361   55.831  292.954   55.513  155.796   14.518  150.703   14.948 5.093262 20.83780 
1 1 1   -3   31   23 o  144.546   10.685  265.437   38.295  278.752   53.863  251.827   54.456  146.993   14.879  139.310   15.940 7.683304 21.80528 
1 1 1   -3   31   24 o  178.169   16.567  411.183   72.864  463.337   91.275  319.555  120.982  187.845   19.754  148.971   33.352 38.87306 38.76304 
1 1 1   -3   31   25 o  187.861   10.624  447.409   49.637  443.309   68.230  452.017   72.344  185.674   14.839  187.212   15.617 -1.538147 21.54299 
1 1 1   -3   31   26 o  273.440   12.124  948.691   82.783  1025.28  114.404  864.512  119.938  282.018   16.314  257.570   18.776 24.44864 24.87401 
1 1 1   -3   31   27 f  247.934   11.494  778.990   71.166  756.390   97.493  804.768  104.121  242.059   16.223  249.411   16.816 -7.351730 23.36543 
1 1 1   -3   31   28 o  195.942   10.803  487.328   52.653  462.186   70.626  518.787   79.002  189.351   15.061  200.313   15.925 -10.96182 21.91870 
1 1 1   -3   31   29 o  110.906   11.055  157.340   30.208  150.135   39.854  167.069   46.311  107.140   15.333  112.581   17.003 -5.440712 22.89532 
1 1 1   -3   31   30 o   85.923   12.215   95.710   25.470  100.826   33.156   88.345   39.783   87.240   15.801   80.556   19.894 6.684288 25.40601 
1 1 1   -3   31   31 o  149.813   10.206  285.491   37.955  265.988   48.876  315.120   60.243  143.482   13.812  155.539   15.726 -12.05722 20.93024 
1 1 1   -3   31   32 o  160.966   12.849  333.258   51.217  292.762   80.033  361.344   66.652  146.425   22.617  166.233   16.265 -19.80775 27.85771 
1 1 1   -3   31   33 o   99.362   14.994  130.125   36.047  149.529   53.651  114.157   48.669  104.175   21.341   90.641   21.774 13.53385 30.48853 
1 1 1   -3   31   34 o  205.319   11.372  539.364   58.080  559.159   71.432  500.750   99.769  207.873   13.840  192.265   21.128 15.60812 25.25768 
1 1 1   -3   31   35 o  142.600   10.262  260.022   36.297  235.321   46.128  300.181   58.817  134.275   13.961  150.930   15.842 -16.65413 21.11562 
1 1 1   -3   31   36 o  179.027   10.235  409.689   45.566  387.557   58.588  443.569   72.489  172.528   13.712  183.324   15.995 -10.79599 21.06758 
1 1 1   -3   31   37 o  121.185   10.411  188.858   31.201  172.838   38.763  218.334   52.580  114.632   13.820  127.511   16.932 -12.87962 21.85571 
1 1 1   -3   31   38 o  105.704   10.920  144.662   28.409  150.182   35.129  134.229   48.296  106.762   13.477   97.686   20.454 9.076515 24.49499 
1 1 1   -3   31   39 o  146.052   10.214  274.221   37.016  261.884   46.878  294.651   60.327  141.237   13.454  148.066   16.601 -6.829163 21.36862 
1 1 1   -3   31   40 o   73.900   17.921   76.322   32.732   19.996   54.070  108.903   41.123   55.447   23.229   87.960   19.256 -32.51319 30.17234 
1 1 1   -3   31   41 o  128.684   18.050  227.617   56.409   0.0000   0.0000  227.617   56.409  ?   ?   128.684   18.050 0.000000 18.05021 
1 1 1   -3   32    1 f   40.534   14.998   18.298   20.124 -18.8692   53.466   24.433   21.721   45.894   20.957   44.532   15.700 1.361954 26.18588 
1 1 1   -3   32    2 o   92.179   20.927  122.785   47.070  117.430   68.224  127.650   65.026   86.708   27.813   90.642   26.834 -3.933525 38.64725 
1 1 1   -3   32    3 o   74.897   15.066   76.352   27.203   63.345   61.219   79.552   30.365   69.504   26.071   75.951   16.483 -6.447144 30.84494 
1 1 1   -3   32    4 o  102.360   13.064  137.936   32.632   70.834   65.018  160.530   37.728   72.867   26.959  110.119   14.039 -37.25227 30.39571 
1 1 1   -3   32    5 o  136.786   11.530  241.833   39.017  182.971   70.998  267.302   46.701  111.418   25.993  143.113   13.217 -31.69474 29.16074 
1 1 1   -3   32    6 o   85.964   14.617   98.511   30.255   33.519   58.341  122.418   35.384   61.319   24.729   95.780   15.310 -34.46024 29.08465 
1 1 1   -3   32    7 f  100.235   12.886  131.236   31.507  110.078   60.782  139.010   36.843   87.306   25.965  102.507   14.823 -15.20177 29.89876 
1 1 1   -3   32    8 o   25.769   11.647  -8.1425   16.002 -52.6408  120.612  -7.3453   16.144   66.377   30.730   26.192   11.782 40.18468 32.91155 
1 1 1   -3   32    9 o   77.815   14.635   80.607   27.395   71.778   55.179   83.495   31.559   73.444   25.070   78.643   16.591 -5.199203 30.06299 
1 1 1   -3   32   10 o   83.097   13.851   91.001   27.730   43.357   54.878  107.337   32.134   63.936   24.521   90.103   14.795 -26.16735 28.63878 
1 1 1   -3   32   11 o   77.854   13.618   79.897   25.511   93.552   51.859   75.537   29.302   81.936   23.881   74.977   16.129 6.959198 28.81753 
1 1 1   -3   32   12 o  240.589   12.235  740.432   73.266  654.879  108.747  811.544   99.145  221.951   19.829  249.839   15.975 -27.88730 25.46359 
1 1 1   -3   32   13 o   54.559   21.484   25.796   43.003   1.0454   55.381   63.383   68.247   52.927   22.875   73.632   27.545 -20.70449 35.80536 
1 1 1   -3   32   14 o   91.772   13.133  109.670   29.239   80.352   53.763  121.983   34.842   77.125   24.685   96.331   14.970 -19.20662 28.86963 
1 1 1   -3   32   15 o  394.219   14.492  1995.30  142.662  1893.14  203.669  2093.71  199.894  377.082   21.721  398.308   20.163 -21.22580 29.63666 
1 1 1   -3   32   16 o  124.809   11.402  199.376   35.145  158.658   56.736  224.730   44.770  107.726   21.838  131.853   13.801 -24.12727 25.83372 
1 1 1   -3   32   17 o  100.502   12.527  130.521   30.757  114.645   51.350  139.403   38.409   91.144   22.658  103.076   15.394 -11.93150 27.39274 
1 1 1   -3   32   18 o  134.121   11.284  229.759   37.442  228.495   57.618  230.683   49.260  131.533   18.015  133.245   15.069 -1.711502 23.48686 
1 1 1   -3   32   19 o  126.250   17.015  209.476   52.278   0.0000   0.0000  209.476   52.278  ?   ?   126.250   17.015 0.000000 17.01543 
1 1 1   -3   32   20 o   91.608   21.741  114.986   48.989  114.986   48.989   0.0000   0.0000   91.608   21.741  ?   ?  0.000000 21.74130 
1 1 1   -3   32   21 o   79.439   12.882   82.328   24.679  111.771   42.388   67.230   30.354   90.995   19.255   70.722   17.324 20.27287 25.90125 
1 1 1   -3   32   22 o  241.383   10.627  737.637   64.059  842.119   90.465  632.564   90.721  256.173   14.197  220.814   16.573 35.35918 21.82284 
1 1 1   -3   32   23 o  182.032   11.331  421.849   51.253  449.296   71.638  393.069   73.356  186.340   15.537  173.542   17.152 12.79807 23.14250 
1 1 1   -3   32   24 o  225.998   10.349  646.273   58.405  712.805   81.422  575.755   83.825  235.720   13.894  210.816   16.043 24.90385 21.22318 
1 1 1   -3   32   25 f  346.776   12.765  1532.64  110.538  1822.52  154.999  1232.62  157.684  375.579   16.526  305.302   20.807 70.27716 26.57141 
1 1 1   -3   32   26 o  301.885   19.219  1196.77  144.133  1374.15  192.317  969.478  217.705  318.945   24.330  257.937   34.678 61.00800 42.36123 
1 1 1   -3   32   27 o  224.590   11.065  640.195   62.057  643.154   84.888  636.800   90.949  222.971   15.339  221.217   16.585 1.754227 22.59052 
1 1 1   -3   32   28 o  135.829   10.508  235.259   35.363  266.524   48.176  198.730   52.074  143.660   13.590  122.472   17.527 21.18777 22.17852 
1 1 1   -3   32   29 o   31.721   13.411   1.5599   18.293  -7.3322   27.137   8.9664   24.766   35.240   15.598   39.409   16.033 -4.168659 22.36920 
1 1 1   -3   32   30 o  105.660   11.324  143.676   29.414  134.582   39.160  155.450   44.556  100.714   16.114  108.028   17.085 -7.313522 23.48498 
1 1 1   -3   32   31 f  129.479   10.720  214.628   34.351  182.884   45.011  258.904   53.158  117.769   15.696  140.560   15.396 -22.79095 21.98660 
1 1 1   -3   32   32 o  133.868   10.631  229.492   35.246  229.936   45.632  228.835   55.494  132.816   13.968  131.023   17.390 1.792740 22.30522 
1 1 1   -3   32   33 o  126.985   10.522  206.781   33.064  235.888   42.796  163.678   52.078  134.841   12.866  109.228   19.823 25.61288 23.63210 
1 1 1   -3   32   34 o   34.642   14.992  -1.3210   23.851 -20.7525   40.096   9.3205   29.672   39.804   18.165   42.114   17.388 -2.310310 25.14597 
1 1 1   -3   32   35 o   84.210   16.441   96.346   33.333  107.848   50.594   87.524   44.308   86.606   23.005   78.502   21.817 8.104790 31.70478 
1 1 1   -3   32   36 o  147.859   10.794  281.535   39.578  286.236   48.474  272.133   68.550  147.969   13.259  140.298   20.144 7.671326 24.11620 
1 1 1   -3   32   37 o  185.424   10.423  441.757   48.067  454.798   61.941  422.016   76.211  186.462   13.392  176.796   17.492 9.666382 22.02942 
1 1 1   -3   32   38 o  147.542   10.299  280.317   37.708  296.177   47.685  253.847   61.604  150.452   12.814  135.821   18.656 14.63060 22.63278 
1 1 1   -3   32   39 o   84.507   11.723   93.932   24.072   90.588   29.321  100.845   42.164   81.745   14.913   83.921   20.333 -2.175964 25.21605 
1 1 1   -3   32   40 o   81.337   21.283   96.152   43.729   0.0000   0.0000   96.152   43.729  ?   ?    81.337   21.283 0.000000 21.28316 
1 1 1   -3   33    1 o  120.007   12.632  193.194   37.287  115.488   74.320  219.333   43.105   81.382   29.004  127.113   13.801 -45.73105 32.12025 
1 1 1   -3   33    2 o   73.502   16.750   76.862   30.059   1.8366   64.388   97.771   33.991   53.067   23.724   83.015   16.970 -29.94727 29.16870 
1 1 1   -3   33    3 o  119.902   12.604  190.803   37.175  128.268   73.297  212.461   43.134   87.912   28.876  125.762   13.971 -37.85007 32.07841 
1 1 1   -3   33    4 o   89.461   22.088  118.718   49.050   76.396   69.301  161.205   69.435   73.040   27.664  100.919   27.016 -27.87816 38.66746 
1 1 1   -3   33    5 o   36.314   14.411   10.609   19.489   31.402   57.483   7.9084   20.716   58.999   24.263   35.818   14.628 23.18186 28.33162 
1 1 1   -3   33    6 o   98.333   13.392  128.317   32.029   78.056   61.939  146.663   37.421   74.122   26.472  104.619   14.732 -30.49665 30.29472 
1 1 1   -3   33    7 o  135.344   12.333  238.837   41.225  159.482   73.200  275.699   49.889  101.857   27.938  144.640   13.987 -42.78284 31.24407 
1 1 1   -3   33    8 o   68.863   15.755   64.762   26.506   54.011   57.172   67.706   29.915   66.536   25.144   70.024   17.226 -3.487801 30.47923 
1 1 1   -3   33    9 o   64.313   17.821   56.868   29.610 -63.2325  133.958   63.037   30.361   67.489   31.623   67.607   17.755 -0.1182175 36.26653 
1 1 1   -3   33   10 o   55.691   17.326   41.227   26.660 -68.1187  121.312   46.776   27.328   64.137   30.066   58.832   17.390 5.305164 34.73264 
1 1 1   -3   33   11 o   68.706   15.485   63.840   25.932   59.401   53.696   65.190   29.614   68.374   24.623   69.045   17.231 -0.6704254 30.05329 
1 1 1   -3   33   12 o  191.970   11.401  472.456   54.410  427.319   85.446  503.243   70.567  178.130   19.529  196.607   14.475 -18.47682 24.30866 
1 1 1   -3   33   13 o   70.110   15.960   66.428   27.315   25.436   54.694   80.049   31.529   58.358   23.794   76.827   16.894 -18.46839 29.18174 
1 1 1   -3   33   14 o  296.068   12.303  1122.17   90.962  1082.28  133.462  1156.78  124.304  285.567   18.821  297.019   16.828 -11.45157 25.24714 
1 1 1   -3   33   15 o  160.748   16.861  340.617   66.674  284.944   86.159  423.725  105.269  142.431   25.143  174.471   24.865 -32.03993 35.36171 
1 1 1   -3   33   16 o   62.438   15.258   52.389   23.588   46.218   49.768   54.178   26.788   63.515   23.569   63.348   16.698 0.1666451 28.88464 
1 1 1   -3   33   17 o  112.603   11.969  163.502   33.138  163.676   55.473  163.405   41.322  109.264   21.095  111.501   15.240 -2.236778 26.02359 
1 1 1   -3   33   18 o  144.585   14.900  272.338   53.026   0.0000   0.0000  272.338   53.026  ?   ?   144.585   14.900 0.000000 14.90000 
1 1 1   -3   33   19 o  215.123   16.059  603.056   85.648  603.056   85.648   0.0000   0.0000  215.123   16.059  ?   ?  0.000000 16.05906 
1 1 1   -3   33   20 o  234.280   11.015  697.675   64.443  732.533   92.735  665.123   89.616  237.426   15.730  226.053   15.978 11.37302 22.42198 
1 1 1   -3   33   21 o  132.964   13.460  228.776   44.078  368.790   89.867  184.423   50.580  164.667   22.439  117.689   17.763 46.97772 28.61885 
1 1 1   -3   33   22 o  129.572   12.555  216.379   40.114  182.234   57.168  249.496   56.300  115.823   20.517  137.650   16.722 -21.82706 26.46827 
1 1 1   -3   33   23 o  133.246   11.009  227.152   36.304  268.875   54.150  193.087   48.930  143.507   15.348  120.886   16.650 22.62176 22.64517 
1 1 1   -3   33   24 o   89.946   12.581  105.290   27.486  104.140   42.664  106.105   35.938   87.123   20.029   88.998   16.786 -1.875534 26.13294 
1 1 1   -3   33   25 o  157.567   10.393  316.492   40.663  364.879   57.906  269.419   57.114  167.906   13.936  143.176   16.263 24.73006 21.41735 
1 1 1   -3   33   26 o   60.670   14.874   49.398   22.361   43.026   36.483   53.233   28.301   58.862   20.373   62.798   17.430 -3.935497 26.81192 
1 1 1   -3   33   27 o   50.001   15.533   32.490   21.435   25.160   34.343   37.168   27.436   50.641   19.404   53.904   17.665 -3.263481 26.24029 
1 1 1   -3   33   28 o   28.196   13.635 -45.1173   29.274 -57.6447   30.412  112.836  107.990   27.076   13.270   91.162   34.532 -64.08578 36.99376 
1 1 1   -3   33   29 o   39.942   14.647   17.071   19.123   21.174   30.136   14.305   24.742   47.128   18.147   41.522   16.313 5.606152 24.40191 
1 1 1   -3   33   30 o   78.428   13.195   81.235   24.925   68.166   34.940   94.777   35.567   70.296   19.311   83.347   17.639 -13.05139 26.15393 
1 1 1   -3   33   31 o  184.503   10.451  435.450   47.956  461.350   63.658  401.462   72.922  188.380   13.624  173.745   17.026 14.63547 21.80599 
1 1 1   -3   33   32 o   57.462   14.784   44.684   21.337   26.628   28.797   66.660   31.771   48.753   17.960   69.460   18.125 -20.70705 25.51571 
1 1 1   -3   33   33 o   68.793   14.026   63.645   23.279   51.618   30.564   80.262   35.925   61.439   18.444   75.806   19.011 -14.36697 26.48815 
1 1 1   -3   33   34 o   65.456   14.029   57.869   22.242   56.916   28.683   59.306   35.225   64.168   17.443   65.359   19.842 -1.191162 26.41859 
1 1 1   -3   33   35 o  138.400   10.513  246.947   36.063  270.182   46.194  210.689   57.706  143.624   13.021  123.251   19.389 20.37216 23.35608 
1 1 1   -3   33   36 o  103.662   15.122  144.467   37.993  100.264   60.567  173.145   48.785   81.788   26.203  112.087   18.042 -30.29921 31.81351 
1 1 1   -3   33   37 o  176.084   14.256  410.500   62.148  431.289   93.370  393.965   83.274  174.054   21.971  167.769   20.289 6.285446 29.90637 
1 1 1   -3   33   38 o   93.808   11.628  115.535   26.655  117.064   32.248  112.235   47.360   93.318   14.294   87.637   21.744 5.680817 26.02156 
1 1 1   -3   33   39 o  118.183   19.557  197.069   55.699   0.0000   0.0000  197.069   55.699  ?   ?   118.183   19.557 0.000000 19.55716 
1 1 1   -3   33   40 o   89.869   20.628  117.416   45.313   0.0000   0.0000  117.416   45.313  ?   ?    89.869   20.628 0.000000 20.62781 
1 1 1   -3   34    1 o   57.334   17.907   49.271   28.448   17.266   67.185   56.262   31.402   54.039   24.191   60.687   18.791 -6.647900 30.63198 
1 1 1   -3   34    2 o   67.496   16.480   66.575   27.536   92.438   71.891   62.128   29.809   72.566   28.005   64.488   17.885 8.077126 33.22859 
1 1 1   -3   34    3 o   50.995   16.371   36.534   23.634   0.1421   60.889   42.990   25.645   50.555   22.797   54.735   16.987 -4.179104 28.43023 
1 1 1   -3   34    4 o   62.548   16.057   55.874   25.208   46.408   62.592   57.706   27.540   61.748   25.347   63.203   17.054 -1.455227 30.55035 
1 1 1   -3   34    5 o  107.727   12.582  155.099   33.210  149.660   69.138  156.731   37.865   94.711   27.565  107.174   14.522 -12.46257 31.15675 
1 1 1   -3   34    6 o   66.398   23.168   64.008   47.227  119.840   64.232  -1.6909   69.677   86.093   26.911   54.527   24.506 31.56525 36.39748 
1 1 1   -3   34    7 o  102.647   14.005  141.765   34.961   68.487   66.698  169.527   41.053   70.265   27.013  111.771   15.095 -41.50545 30.94440 
1 1 1   -3   34    8 o   89.619   14.478  108.629   31.297   35.435   62.976  132.635   36.067   61.271   25.317   98.907   15.079 -37.63673 29.46795 
1 1 1   -3   34    9 o   45.839   15.698   26.475   21.635   1.8782   55.656   30.854   23.481   51.379   22.556   48.804   16.356 2.575157 27.86182 
1 1 1   -3   34   10 o   62.968   15.694   54.601   24.589   15.301   57.140   63.533   27.240   55.232   23.541   67.783   16.294 -12.55072 28.63017 
1 1 1   -3   34   11 o  214.578   16.840  617.702   89.509  627.169  172.082  614.190  104.802  193.259   37.005  210.887   20.146 -17.62852 42.13317 
1 1 1   -3   34   12 o   48.893   15.922   31.010   22.302   58.543   56.135   25.849   24.302   67.645   25.045   46.599   16.588 21.04562 30.04047 
1 1 1   -3   34   13 o  136.936   12.120  243.437   41.015  213.566   69.718  259.247   50.721  121.906   23.756  140.112   14.716 -18.20636 27.94464 
1 1 1   -3   34   14 o  113.255   12.087  166.807   33.656  181.721   61.251  160.356   40.283  113.224   22.456  109.829   15.086 3.395691 27.05301 
1 1 1   -3   34   15 o   53.418   15.237   38.337   21.322   92.546   50.035   26.308   23.569   80.455   23.460   46.754   16.364 33.70064 28.60322 
1 1 1   -3   34   16 o   81.304   21.964   93.588   45.647  118.703   53.917   30.039   85.768   90.932   23.555   68.283   28.964 22.64852 37.33319 
1 1 1   -3   34   17 o  152.141   30.838  349.339  113.151   0.0000   0.0000  349.339  113.151  ?   ?   152.141   30.838 0.000000 30.83842 
1 1 1   -3   34   18 o   77.367   22.459   84.205   45.950   84.432   51.932   83.386   98.614   77.471   24.195   82.452   32.513 -4.980942 40.52753 
1 1 1   -3   34   19 o   63.478   15.054   54.425   23.502   41.399   46.884   58.796   27.161   60.575   22.797   65.711   16.559 -5.136169 28.17627 
1 1 1   -3   34   20 o   44.704   15.171   24.506   20.206   22.672   44.990   24.969   22.615   53.776   21.706   45.805   16.029 7.970718 26.98307 
1 1 1   -3   34   21 o  119.240   11.560  183.489   33.990  239.543   54.827  148.496   43.320  134.206   16.722  105.114   17.090 29.09192 23.91059 
1 1 1   -3   34   22 o  224.953   11.171  646.478   62.751  690.853   90.510  605.404   87.078  229.430   15.896  214.381   16.390 15.04871 22.83192 
1 1 1   -3   34   23 o  113.806   14.212  170.084   39.509  265.549   88.239  146.147   44.186  135.193   27.081  104.008   17.643 31.18455 32.32105 
1 1 1   -3   34   24 o   54.598   15.387   40.008   21.880   52.507   40.631   34.903   25.967   63.404   21.513   52.180   17.190 11.22379 27.53741 
1 1 1   -3   34   25 o  189.033   11.259  458.551   52.907  487.674   74.820  429.425   74.825  192.566   15.696  179.941   16.848 12.62527 23.02634 
1 1 1   -3   34   26 o  104.943   12.009  143.077   30.903  148.214   46.249  138.933   41.538  104.257   18.439  101.496   16.989 2.761406 25.07216 
1 1 1   -3   34   27 o   80.451   13.333   85.687   25.849   76.748   40.266   91.953   33.712   74.012   20.880   82.121   16.999 -8.108749 26.92458 
1 1 1   -3   34   28 o  127.988   10.465  210.506   33.155  267.904   47.612  156.467   46.198  143.227   13.470  107.259   17.877 35.96758 22.38390 
1 1 1   -3   34   29 o   48.745   18.649   24.231   31.693   16.690   32.935  118.605  116.511   46.338   18.618   90.617   35.460 -44.27806 40.05079 
1 1 1   -3   34   30 o  113.154   19.082  176.547   52.002  168.833   56.534  218.955  132.553  109.282   21.482  111.832   38.826 -2.550652 44.37284 
1 1 1   -3   34   31 o  200.348   10.609  515.855   52.887  507.048   70.957  526.863   79.327  196.170   14.589  198.858   16.113 -2.687256 21.73647 
1 1 1   -3   34   32 o   67.237   14.166   61.228   23.034   64.422   32.307   57.927   32.849   67.817   18.544   64.458   19.070 3.358421 26.59959 
1 1 1   -3   34   33 o  101.407   11.229  134.038   27.959  158.433   37.512  103.546   41.938  109.108   14.097   85.246   20.039 23.86206 24.50077 
1 1 1   -3   34   34 o   54.819   14.898   41.111   20.927   26.792   28.636   57.522   30.657   48.297   17.887   64.051   18.271 -15.75417 25.56914 
1 1 1   -3   34   35 f   45.255   14.907   26.478   19.530   52.386   26.364  -5.0264   29.072   61.340   16.743   36.590   16.173 24.74974 23.27861 
1 1 1   -3   34   36 o   33.338   13.550   7.0338   17.668  -7.6684   22.907   28.624   27.759   31.512   14.115   48.718   17.680 -17.20610 22.62317 
1 1 1   -3   34   37 o  119.987   10.809  187.376   32.038  191.688   41.073  180.675   51.201  119.775   13.996  113.443   18.727 6.332642 23.37944 
1 1 1   -3   34   38 o   76.558   18.241   83.481   34.378   56.852   55.883   99.693   43.605   65.492   24.833   82.341   21.108 -16.84904 32.59167 
1 1 1   -3   34   39 o  150.982   19.892  324.289   73.173   0.0000   0.0000  324.289   73.173  ?   ?   150.982   19.892 0.000000 19.89206 
1 1 1   -3   35    1 o   29.172   13.054  -3.8258   19.543  -7.0282   61.943  -3.4718   20.594   46.761   21.776   30.036   13.423 16.72526 25.58109 
1 1 1   -3   35    2 o   35.347   14.593   9.5430   20.896   21.111   65.487   8.2316   22.049   52.987   23.790   35.417   14.835 17.56941 28.03682 
1 1 1   -3   35    3 o   81.054   20.122  104.175   40.539   0.0000   0.0000  104.175   40.539  ?   ?    81.054   20.122 0.000000 20.12194 
1 1 1   -3   35    4 o   82.081   15.353   96.620   30.312   52.675   66.295  108.235   34.083   61.291   25.701   86.208   16.432 -24.91677 30.50526 
1 1 1   -3   35    5 o   32.649   13.786   4.4300   19.288 -40.0211   56.916   10.197   20.501   42.128   20.002   35.924   14.598 6.203842 24.76306 
1 1 1   -3   35    6 o   31.285   13.290   2.9181   18.099 -34.4114   56.190   7.2397   19.118   43.001   20.253   33.888   13.971 9.112617 24.60451 
1 1 1   -3   35    7 o   73.926   16.790   78.650   30.290 -18.3747   63.273  107.495   34.500   48.502   22.385   86.947   16.493 -38.44583 27.80499 
1 1 1   -3   35    8 o   85.695   23.564  115.502   51.995  113.460   69.405  118.114   78.494   81.912   28.114   82.488   29.762 -0.5754547 40.94121 
1 1 1   -3   35    9 o  111.512   13.132  166.736   35.868   82.906   68.351  198.595   42.136   73.360   27.542  121.135   14.199 -47.77412 30.98687 
1 1 1   -3   35   10 o   42.182   15.205   21.267   20.480   31.122   55.503   19.714   22.035   57.417   23.750   41.963   15.661 15.45416 28.44856 
1 1 1   -3   35   11 o   38.331   14.776   14.345   19.995 -50.8644   53.409   24.975   21.564   40.547   19.288   44.732   15.653 -4.184937 24.84015 
1 1 1   -3   35   12 o  153.385   12.522  309.418   47.544  265.380   78.997  334.428   59.533  132.865   24.719  157.571   15.323 -24.70615 29.08356 
1 1 1   -3   35   13 o   80.190   17.461   90.091   33.975  119.141  134.674   88.116   35.111   87.727   36.699   78.970   18.181 8.756721 40.95531 
1 1 1   -3   35   14 o   67.427   16.327   63.136   27.199   22.161   57.260   75.075   30.908   56.679   23.833   73.301   17.184 -16.62158 29.38199 
1 1 1   -3   35   15 o   35.945   14.014   11.372   18.144  -8.4001   50.553   14.296   19.440   47.173   21.060   38.233   14.611 8.939320 25.63215 
1 1 1   -3   35   16 o   82.578   16.018   93.277   31.840   0.0000   0.0000   93.277   31.840  ?   ?    82.578   16.018 0.000000 16.01850 
1 1 1   -3   35   17 o   44.243   19.549  -5.1648   42.442   4.3232   48.182 -38.0254   89.667   49.230   21.307   57.119   26.463 -7.889080 33.97456 
1 1 1   -3   35   18 o   85.495   24.180  107.763   53.932  159.574   64.366 -14.3347   98.809  103.589   25.137   63.171   28.708 40.41808 38.15779 
1 1 1   -3   35   19 o   66.011   15.797   59.766   25.691   86.407   56.392   52.788   28.861   77.238   25.326   61.842   17.756 15.39649 30.93021 
1 1 1   -3   35   20 o   62.293   15.065   52.944   23.178   86.607   47.760   42.573   26.509   77.469   23.011   56.127   17.247 21.34121 28.75695 
1 1 1   -3   35   21 o   60.782   14.999   50.374   22.627   60.086   46.923   47.431   25.829   66.706   23.104   58.864   16.763 7.842594 28.54464 
1 1 1   -3   35   22 o  128.658   11.898  215.145   37.792  221.211   59.238  210.982   49.077  126.604   19.352  125.442   16.034 1.161240 25.13099 
1 1 1   -3   35   23 o  103.641   12.370  140.663   31.382  164.622   52.539  127.374   39.129  108.464   20.139   96.708   16.813 11.75593 26.23457 
1 1 1   -3   35   24 o   96.485   12.598  122.382   29.630  148.190   49.938  108.359   36.810  102.719   20.188   88.839   17.214 13.88045 26.53080 
1 1 1   -3   35   25 o   83.565   16.354   95.435   32.905   86.100   86.531   97.013   35.578   79.517   30.714   83.766   17.569 -4.248856 35.38379 
1 1 1   -3   35   26 o   74.731   14.075   75.168   25.303   83.030   43.394   71.118   31.145   76.023   21.756   71.491   17.571 4.532730 27.96490 
1 1 1   -3   35   27 o   52.078   15.185   36.664   20.963   46.096   38.550   32.704   24.978   59.520   20.923   50.333   16.869 9.187302 26.87603 
1 1 1   -3   35   28 o  137.105   10.828  243.140   36.770  294.772   52.838  194.656   51.202  149.163   14.363  119.144   17.751 30.01887 22.83403 
1 1 1   -3   35   29 o   89.499   12.654  106.021   27.493   95.327   41.569  114.336   36.654   81.477   20.460   91.224   16.706 -9.747887 26.41368 
1 1 1   -3   35   30 o   53.110   15.209   38.483   21.201   8.4034   34.480   56.771   26.885   43.801   18.460   63.865   16.677 -20.06421 24.87736 
1 1 1   -3   35   31 o   50.406   19.558   26.580   35.212   19.329   36.525  121.994  132.495   48.272   19.532   88.391   36.639 -40.11907 41.52005 
1 1 1   -3   35   32 o  105.011   19.785  156.860   49.981  149.652   52.875  217.349  153.172  101.395   21.547  104.208   40.692 -2.813026 46.04433 
1 1 1   -3   35   33 o   36.454   14.020   12.759   17.969   6.6772   27.875   17.082   23.504   39.550   16.629   41.509   16.015 -1.959705 23.08683 
1 1 1   -3   35   34 o  122.431   10.844  195.304   32.812  211.217   44.445  176.241   48.645  125.403   14.457  112.355   17.941 13.04790 23.04138 
1 1 1   -3   35   35 o   73.912   13.719   74.189   24.388   60.456   33.611   89.460   35.442   64.950   19.307   79.201   18.289 -14.25094 26.59424 
1 1 1   -3   35   36 o  104.226   11.440  142.859   29.286  183.487   39.080   90.820   44.229  117.101   13.618   78.009   21.839 39.09127 25.73761 
1 1 1   -3   35   37 o  259.336   11.465  876.821   74.245  968.512   98.113  753.955  113.574  268.638   14.681  230.296   19.946 38.34177 24.76611 
1 1 1   -3   35   38 o  123.597   18.726  217.004   55.987   0.0000   0.0000  217.004   55.987  ?   ?   123.597   18.726 0.000000 18.72618 
1 1 1   -3   36    1 o   44.241   19.847   11.633   45.478   16.943   67.196   7.1449   61.778   49.764   23.003   47.236   21.913 2.528538 31.76985 
1 1 1   -3   36    2 o   45.148   16.538   29.211   24.371   13.687   69.443   31.391   26.027   50.431   23.337   46.432   17.079 3.998562 28.91897 
1 1 1   -3   36    3 o   19.582   9.5776 -26.8038   15.602 -65.8235   62.164 -24.1805   16.118   39.075   19.113   20.610   10.002 18.46517 21.57166 
1 1 1   -3   36    4 o   46.334   16.700   30.337   24.704   31.262   66.812   30.190   26.588   54.412   24.258   46.560   17.237 7.851349 29.75820 
1 1 1   -3   36    5 o   47.348   17.599   30.781   27.770 -151.5149  264.591   32.812   27.924   62.577   31.801   48.319   17.702 14.25763 36.39627 
1 1 1   -3   36    6 o   28.152   12.578  -4.2023   18.066   23.582   58.454  -7.1366   18.996   52.651   23.115   27.886   12.639 24.76551 26.34515 
1 1 1   -3   36    7 o   26.788   12.112  -6.6096   17.321  -0.4269   56.421  -7.2530   18.200   47.826   21.718   27.297   12.372 20.52886 24.99525 
1 1 1   -3   36    8 o  120.629   12.756  198.206   37.842  172.789   72.473  207.734   44.372   97.011   28.219  121.738   14.907 -24.72658 31.91450 
1 1 1   -3   36    9 o   37.456   17.726 -34.5207   43.996 -26.4909   56.701 -46.6694   69.743   44.202   20.668   46.030   21.936 -1.827824 30.13895 
1 1 1   -3   36   10 o   29.943   13.033  -0.6374   18.231 -28.0995   56.400   2.5668   19.265   44.124   20.625   31.997   13.654 12.12705 24.73525 
1 1 1   -3   36   11 o  104.798   13.180  148.824   33.729  125.245   65.354  157.385   39.379   85.566   27.198  106.459   15.248 -20.89269 31.18096 
1 1 1   -3   36   12 o   70.850   15.448   70.715   26.560  107.452   57.728   60.850   29.915   81.173   25.535   64.673   17.910 16.50012 31.18972 
1 1 1   -3   36   13 o   75.653   15.016   79.626   27.368   46.620   58.853   88.732   30.914   61.720   24.856   79.377   16.145 -17.65634 29.63967 
1 1 1   -3   36   14 o   60.889   15.310   51.985   23.254   91.235   54.271   43.159   25.736   76.372   24.836   55.473   16.985 20.89956 30.08822 
1 1 1   -3   36   15 o   83.493   17.628   99.081   35.600   35.149  146.597  103.088   36.699   74.614   34.305   85.087   17.842 -10.47364 38.66707 
1 1 1   -3   36   16 o  116.267   19.949  194.272   55.835  184.067   65.721  220.743  105.853  109.395   24.649  109.291   34.601 0.1040573 42.48286 
1 1 1   -3   36   17 o   66.061   15.680   60.871   25.478   71.874   54.232   57.754   28.862   70.102   24.798   63.812   17.560 6.289532 30.38590 
1 1 1   -3   36   18 o   76.500   14.747   80.181   27.150   70.934   54.026   83.305   31.403   69.930   24.750   77.100   16.787 -7.169899 29.90546 
1 1 1   -3   36   19 o  121.090   11.829  192.480   35.312  233.509   60.751  171.545   43.396  128.491   19.550  112.073   15.957 16.41871 25.23504 
1 1 1   -3   36   20 o   95.148   23.048  135.321   54.182  106.119   63.771  211.115  102.740   82.506   26.927  109.159   34.021 -26.65261 43.38759 
1 1 1   -3   36   21 o   72.783   14.598   72.439   25.610   57.936   51.586   77.182   29.502   65.431   24.047   74.478   16.314 -9.047279 29.05874 
1 1 1   -3   36   22 o  150.413   11.284  294.592   42.074  319.624   65.736  277.220   54.760  152.424   17.593  143.296   15.553 9.128479 23.48226 
1 1 1   -3   36   23 o   49.432   15.227   32.937   20.650   49.009   44.989   28.647   23.243   61.228   22.464   47.387   16.269 13.84064 27.73664 
1 1 1   -3   36   24 o  153.141   11.315  305.427   42.964  371.595   65.646  255.850   56.824  165.667   16.070  136.600   17.028 29.06627 23.41363 
1 1 1   -3   36   25 o   94.822   13.074  119.848   30.135  111.775   49.732  124.531   37.881   86.540   22.723   94.967   16.576 -8.427620 28.12631 
1 1 1   -3   36   26 o   78.960   14.121   84.593   26.822   68.186   46.379   92.838   32.877   68.656   22.986   81.630   16.692 -12.97408 28.40741 
1 1 1   -3   36   27 o   32.603   13.453   5.5022   17.744   29.888   84.334   4.3725   18.151   64.884   28.136   32.380   13.503 32.50361 31.20798 
1 1 1   -3   36   28 o   47.718   15.046   30.499   20.032   31.896   38.771   29.990   23.397   53.230   20.559   48.069   16.325 5.161068 26.25250 
1 1 1   -3   36   29 o  125.323   11.333  205.587   35.083  238.363   52.183  178.554   47.391  132.034   16.165  113.373   17.286 18.66071 23.66645 
1 1 1   -3   36   30 o   49.953   14.953   34.074   20.109   50.924   36.118   26.504   24.208   60.364   20.284   46.335   16.549 14.02884 26.17887 
1 1 1   -3   36   31 o   70.106   13.903   67.209   23.480   65.301   37.484   68.440   30.123   66.954   20.498   69.348   17.418 -2.393867 26.89852 
1 1 1   -3   36   32 o  137.578   10.805  246.979   36.822  272.891   51.751  220.410   52.404  142.065   14.805  125.976   17.100 16.08956 22.61857 
1 1 1   -3   36   33 o   49.423   19.224   26.489   34.084   26.512   34.956   26.054  153.551   49.720   19.432   74.484   34.551 -24.76406 39.64044 
1 1 1   -3   36   34 o   62.798   20.478   56.826   36.887   47.163   37.800  249.491  168.785   58.622   20.707  103.020   41.878 -44.39783 46.71815 
1 1 1   -3   36   35 o   49.816   14.799   34.150   19.752   39.336   29.457   29.913   26.625   53.778   18.317   48.535   17.353 5.243305 25.23225 
1 1 1   -3   36   36 o   64.146   14.179   57.019   22.109   76.239   31.591   38.570   30.951   72.812   17.575   53.551   18.752 19.26047 25.70031 
1 1 1   -3   36   37 o  111.184   18.165  176.534   48.693   0.0000   0.0000  176.534   48.693  ?   ?   111.184   18.165 0.000000 18.16532 
1 1 1   -3   37    1 o   44.359   20.196   16.747   49.194   68.511   75.539 -21.3759   64.826   55.407   25.149   42.016   20.312 13.39065 32.32708 
1 1 1   -3   37    2 o   50.909   22.136   41.239   52.484   79.400   75.011   4.6388   73.460   58.807   25.987   47.494   22.601 11.31321 34.43979 
1 1 1   -3   37    3 o   57.540   18.166   55.328   29.193   78.284   72.286   50.855   31.911   60.130   26.061   54.770   19.048 5.360264 32.28038 
1 1 1   -3   37    4 o   53.805   18.138   46.978   28.880   14.530   74.729   52.676   31.313   50.717   23.718   56.275   18.887 -5.557518 30.31939 
1 1 1   -3   37    5 o   38.164   15.718   13.934   24.168 -44.9315   67.463   22.601   25.886   42.493   20.585   42.391   16.676 0.1028061 26.49262 
1 1 1   -3   37    6 o   74.210   17.745   86.492   32.439  117.230   74.831   79.379   35.997   72.467   28.402   69.115   19.825 3.351242 34.63678 
1 1 1   -3   37    7 o   29.031   13.083  -5.2984   20.020  342.496  261.300  -7.3521   20.079   77.004   37.966   28.423   12.926 48.58046 40.10638 
1 1 1   -3   37    8 f   22.451   10.629 -15.9460   15.841 -10.9311   58.064 -16.3493   16.466   45.478   21.147   22.915   10.845 22.56298 23.76541 
1 1 1   -3   37    9 f   47.828   16.255   32.691   23.196   84.656   61.563   24.093   25.042   68.176   26.013   43.755   16.616 24.42191 30.86713 
1 1 1   -3   37   10 f   53.880   16.543   42.903   24.396   41.446   63.831   43.153   26.400   57.764   24.757   53.911   17.302 3.853741 30.20418 
1 1 1   -3   37   11 o   35.888   17.176 -41.3385   43.724 -31.3577   53.329 -61.8082   76.373   41.585   19.630   45.664   22.068 -4.078403 29.53566 
1 1 1   -3   37   12 o   50.129   16.143   35.788   22.966   28.747   56.236   37.197   25.159   54.376   23.269   51.048   16.925 3.327045 28.77378 
1 1 1   -3   37   13 o  105.142   13.651  152.199   34.996  122.997   67.454  162.954   40.937   82.424   27.721  107.269   15.751 -24.84553 31.88320 
1 1 1   -3   37   14 o   43.754   15.866   24.128   22.349   96.484  169.558   22.848   22.545   76.535   35.771   43.139   15.891 33.39545 39.14178 
1 1 1   -3   37   15 f   59.973   23.259   49.724   49.778   51.540   58.408   44.906   95.155   61.729   24.796   65.663   29.130 -3.933662 38.25432 
1 1 1   -3   37   16 o  106.242   13.000  152.783   33.771  201.700   64.344  134.184   39.675  113.330   23.507   96.917   17.014 16.41284 29.01789 
1 1 1   -3   37   17 o   53.063   16.986   39.595   25.456   46.431  136.715   39.349   25.909   71.750   33.040   52.954   17.156 18.79606 37.22874 
1 1 1   -3   37   18 o   98.551   12.845  130.965   30.861  201.196   59.827  105.503   36.024  115.678   21.502   85.717   17.423 29.96053 27.67533 
1 1 1   -3   37   19 o   28.339   12.251  -0.2632   15.891 -17.1752   50.294   1.6125   16.749   44.023   20.186   29.858   12.736 14.16545 23.86800 
1 1 1   -3   37   20 o   66.124   15.707   61.814   25.551   48.802   52.785   65.796   29.200   61.127   23.882   67.600   17.243 -6.472775 29.45659 
1 1 1   -3   37   21 o   43.672   14.797   24.773   19.220  119.935   50.004   8.2754   20.820   88.283   22.589   35.681   14.629 52.60244 26.91241 
1 1 1   -3   37   22 f   48.399   20.986   8.6586   46.916   14.374   51.924 -16.7568  109.492   51.594   22.225   61.840   28.850 -10.24572 36.41747 
1 1 1   -3   37   23 o   38.672   14.405   16.613   18.625   70.946   47.172   6.5789   20.272   68.611   23.181   34.617   14.339 33.99447 27.25734 
1 1 1   -3   37   24 o  111.141   12.432  164.660   33.913  188.277   57.703  152.198   41.916  112.637   21.295  104.294   16.655 8.343376 27.03434 
1 1 1   -3   37   25 o   33.562   13.534   8.2293   17.473 -74.9008   42.993   24.677   19.124   31.889   15.659   43.627   14.760 -11.73785 21.51851 
1 1 1   -3   37   26 o   87.771   13.656  104.691   28.958  121.480   49.202   95.794   35.820   89.315   22.165   81.536   18.068 7.779121 28.59576 
1 1 1   -3   37   27 f  104.249   13.296  146.412   33.824  133.494   53.778  154.866   43.507   92.890   23.241  104.813   17.220 -11.92336 28.92569 
1 1 1   -3   37   28 f   51.540   16.345   36.688   23.614  136.599   95.291   30.151   24.374   86.680   32.525   48.006   16.650 38.67376 36.53882 
1 1 1   -3   37   29 f   20.521   9.6799 -13.5576   12.925 -80.8920   90.507 -12.1557   13.059   50.146   24.182   21.108   9.8853 29.03725 26.12444 
1 1 1   -3   37   30 o   88.161   13.104  105.117   27.971  123.384   45.755   94.216   35.345   90.974   20.617   80.788   17.983 10.18590 27.35764 
1 1 1   -3   37   31 o   59.155   15.452   49.375   23.075   38.906   39.823   54.667   28.312   55.313   20.966   61.616   17.552 -6.302429 27.34290 
1 1 1   -3   37   32 o   89.560   12.816  108.191   27.846  116.804   43.194  102.066   36.426   88.791   19.966   84.149   17.886 4.642029 26.80539 
1 1 1   -3   37   33 o   27.156   11.957  -2.7726   15.744   10.427   31.191  -7.2852   18.238   42.023   17.626   27.650   12.472 14.37365 21.59191 
1 1 1   -3   37   34 o   41.060   14.681   20.681   19.057  -0.8934   31.838   32.725   23.789   38.769   17.039   49.129   16.462 -10.36013 23.69261 
1 1 1   -3   37   35 o   43.328   17.881   14.347   31.360   14.286   31.802   16.492  188.676   43.502   17.984   73.832   35.426 -30.33009 39.72973 
1 1 1   -3   37   36 o   45.686   16.805   25.841   25.201   0.0000   0.0000   25.841   25.201  ?   ?    45.686   16.805 0.000000 16.80509 
1 1 1   -3   37   37 o   87.356   40.087  200.338  198.885   0.0000   0.0000  200.338  198.885  ?   ?    87.356   40.087 0.000000 40.08693 
1 1 1   -3   38    1 o   36.317   17.679 -25.8860   51.400 -38.5161   76.265 -15.3746   69.575   40.103   19.904   41.039   20.104 -0.9356956 28.29074 
1 1 1   -3   38    2 o   55.245   23.575   74.619   57.428   66.306   79.658   83.615   82.867   52.202   24.436   54.354   25.270 -2.152145 35.15279 
1 1 1   -3   38    3 o   39.033   18.736 -17.9361   52.881   18.983   71.397 -62.7983   78.704   47.129   22.385   40.466   20.107 6.663597 30.08952 
1 1 1   -3   38    4 f   54.057   23.069   57.995   54.998  126.739   76.338 -16.1929   79.304   66.649   27.734   45.322   22.040 21.32740 35.42486 
1 1 1   -3   38    5 o   77.618   17.586   98.728   33.296  198.824   78.985   77.097   36.718   86.486   29.974   65.027   20.350 21.45861 36.22955 
1 1 1   -3   38    6 o   49.211   17.470   38.437   26.937  103.422   72.857   28.148   28.991   65.421   27.148   44.717   17.630 20.70410 32.37025 
1 1 1   -3   38    7 f   34.430   14.847   5.9524   23.220   28.395   66.167   2.8003   24.797   51.514   23.442   34.171   15.027 17.34318 27.84483 
1 1 1   -3   38    8 o   41.572   16.578   20.818   25.904  147.090  289.161   19.796   26.009   65.034   33.069   41.180   16.545 23.85366 36.97720 
1 1 1   -3   38    9 o   32.516   13.887   4.8731   19.959   25.733   69.810   3.0161   20.828   52.930   24.083   32.322   13.999 20.60750 27.85621 
1 1 1   -3   38   10 o   47.500   16.492   32.988   23.916   48.653   64.871   30.524   25.728   57.242   24.749   46.433   16.995 10.80924 30.02241 
1 1 1   -3   38   11 o   41.419   15.629   21.704   22.065   38.819   59.479   18.973   23.761   55.014   23.742   40.661   15.983 14.35323 28.62064 
1 1 1   -3   38   12 o   60.513   16.909   55.805   26.539   20.955   63.391   63.212   29.223   52.489   23.498   63.925   17.701 -11.43535 29.41890 
1 1 1   -3   38   13 o   73.158   30.824  115.881   96.095   0.0000   0.0000  115.881   96.095  ?   ?    73.158   30.824 0.000000 30.82418 
1 1 1   -3   38   14 o   50.487   21.806   22.243   50.259   14.019   58.593   45.140   97.771   50.809   22.679   62.397   28.433 -11.58860 36.37028 
1 1 1   -3   38   15 f   61.476   16.803   56.434   26.533   67.684   62.250   53.936   29.331   64.338   25.685   59.587   18.109 4.751759 31.42723 
1 1 1   -3   38   16 o   52.367   16.438   39.866   23.938   23.953   58.097   43.120   26.271   53.357   23.244   54.153   17.248 -0.7955894 28.94426 
1 1 1   -3   38   17 o   43.533   15.661   24.547   21.716 -43.6220   57.206   36.024   23.473   41.533   19.814   50.254   16.333 -8.721127 25.67793 
1 1 1   -3   38   18 o   34.242   13.827   9.4199   18.266   92.084   57.369   0.0941   19.269   73.234   25.536   30.859   13.415 42.37439 28.84543 
1 1 1   -3   38   19 f   53.439   16.920   41.203   25.311  139.409  146.216   38.169   25.699   79.689   35.680   51.777   17.103 27.91167 39.56683 
1 1 1   -3   38   20 o   77.354   14.921   84.568   27.778  117.834   57.108   74.259   31.792   83.294   25.259   70.629   17.979 12.66498 31.00397 
1 1 1   -3   38   21 o  102.987   13.354  145.091   33.535  143.320   62.430  145.809   39.759   91.545   26.059  101.209   16.283 -9.664093 30.72827 
1 1 1   -3   38   22 o   29.649   12.613   2.2122   16.347   24.307   49.451  -0.4986   17.321   52.270   22.072   29.259   12.719 23.01062 25.47486 
1 1 1   -3   38   23 f   34.292   13.821   9.2707   18.210 -65.1869   48.402   21.548   19.654   35.394   17.213   41.551   14.904 -6.157711 22.76879 
1 1 1   -3   38   24 o   51.980   21.928   23.455   48.726   35.157   53.558 -32.7599  117.389   56.343   23.320   59.777   28.480 -3.434299 36.80954 
1 1 1   -3   38   25 o   37.545   14.430   14.703   19.028 -26.3532   47.811   22.430   20.742   40.846   19.058   42.438   15.301 -1.592216 24.44063 
1 1 1   -3   38   26 o   63.249   15.309   56.981   23.920   52.962   47.778   58.325   27.633   60.866   22.990   63.260   17.089 -2.394020 28.64547 
1 1 1   -3   38   27 o   90.723   13.703  112.984   30.076  122.033   52.014  108.438   36.864   87.297   23.388   86.370   17.687 0.9267654 29.32302 
1 1 1   -3   38   28 o   55.611   15.388   44.009   22.093   42.331   43.899   44.578   25.567   56.685   21.882   55.708   16.902 0.9771538 27.64944 
1 1 1   -3   38   29 o   75.363   14.689   79.560   26.651   91.459   47.624   74.135   32.158   75.723   23.089   70.873   18.104 4.849144 29.34075 
1 1 1   -3   38   30 o  145.206   15.088  291.540   53.911  432.166  122.869  258.013   59.994  152.070   33.280  133.420   18.505 18.65063 38.07864 
1 1 1   -3   38   31 f   88.464   16.541  111.841   35.199  170.183  109.039  105.055   37.190   89.720   34.527   84.615   18.145 5.104584 39.00475 
1 1 1   -3   38   32 o   56.047   15.400   44.846   22.218   27.970   39.974   52.390   26.726   50.765   20.471   59.970   17.043 -9.205170 26.63671 
1 1 1   -3   38   33 o   35.112   13.701   11.871   17.357   44.917   35.383   1.3996   19.918   56.173   20.013   31.954   13.765 24.21920 24.29000 
1 1 1   -3   38   34 f   37.065   14.049   15.000   17.880   8.6543   33.449   17.539   21.157   42.006   17.960   39.881   15.242 2.124989 23.55607 
1 1 1   -3   38   35 o   59.593   17.311   52.305   27.291  114.043  100.429   47.383   28.358   77.042   31.914   56.815   17.901 20.22695 36.59156 
1 1 1   -3   38   36 o   76.587   36.689  110.175  200.569   0.0000   0.0000  110.175  200.569  ?   ?    76.587   36.689 0.000000 36.68914 
1 1 1   -3   39    3 o   36.386   17.958 -36.8288   58.967 -73.0929   78.947   8.9310   88.683   37.460   18.836   44.068   21.800 -6.608559 28.81004 
1 1 1   -3   39    4 o   46.936   21.515   39.878   57.077  -1.7601   74.745   98.119   88.400   43.160   21.078   54.097   25.456 -10.93715 33.05024 
1 1 1   -3   39    5 o   39.907   19.070  -7.6601   53.457   22.282   69.549 -50.8874   83.565   46.293   22.018   41.352   20.576 4.941242 30.13604 
1 1 1   -3   39    6 o   39.334   18.899 -17.8289   54.092   83.631   71.647 -152.3152   82.488   56.929   25.265   35.857   18.174 21.07124 31.12205 
1 1 1   -3   39    7 o   44.107   16.983   29.701   26.390   38.104   70.387   28.327   28.466   50.602   23.444   43.764   17.401 6.837769 29.19654 
1 1 1   -3   39    8 o   40.680   16.504   20.876   26.152  -1.7724   72.847   24.227   28.020   46.484   22.226   42.455   17.132 4.028736 28.06276 
1 1 1   -3   39    9 o   39.908   16.009   19.509   24.311 -69.0329   70.868   31.319   25.882   39.898   19.690   45.572   16.980 -5.673447 26.00051 
1 1 1   -3   39   10 f   39.044   15.969   16.525   24.732 -54.6064  292.381   17.038   24.821   58.465   30.003   39.283   16.024 19.18164 34.01386 
1 1 1   -3   39   11 o   52.933   17.128   44.360   25.831  102.701   66.755   34.085   28.013   68.080   26.781   47.685   17.685 20.39597 32.09326 
1 1 1   -3   39   12 f   38.209   15.695   14.164   24.018 -266.4445  263.449   16.516   24.119   55.950   28.696   39.226   15.872 16.72394 32.79303 
1 1 1   -3   39   13 o   41.622   19.563 -17.6965   51.948 -29.6046   61.223   12.919   98.167   42.864   20.462   55.142   26.207 -12.27823 33.24940 
1 1 1   -3   39   14 o   31.185   13.590   1.3023   19.877   78.487   60.508  -8.0346   21.045   64.504   25.458   28.872   13.170 35.63170 28.66254 
1 1 1   -3   39   15 o   47.472   21.409   9.0931   53.712   42.358   63.321 -76.2461  101.421   56.201   24.375   48.727   23.952 7.473377 34.17367 
1 1 1   -3   39   16 o   94.128   14.937  128.035   33.938  147.370   69.094  121.887   38.962   85.284   28.037   89.011   18.144 -3.727737 33.39609 
1 1 1   -3   39   17 o   46.732   16.339   30.837   23.494   45.741   60.060   28.144   25.529   57.347   24.277   45.697   16.896 11.64982 29.57726 
1 1 1   -3   39   18 o   84.129   14.841  101.766   30.039  176.711   64.099   80.674   34.004   99.285   25.665   71.875   18.749 27.41006 31.78436 
1 1 1   -3   39   19 o   37.424   14.685   14.600   20.025   4.2972   56.874   16.058   21.395   48.382   21.905   38.740   15.186 9.642292 26.65414 
1 1 1   -3   39   20 o   49.503   16.802   35.117   24.784  111.505  164.595   33.345   25.069   72.732   34.380   48.586   16.884 24.14654 38.30246 
1 1 1   -3   39   21 o   80.531   17.581   97.175   34.363  294.201  161.242   87.801   35.171   94.520   39.882   75.579   18.730 18.94170 44.06129 
1 1 1   -3   39   22 o   52.308   16.361   39.864   23.737   23.383   55.739   43.515   26.235   52.538   22.828   54.299   17.230 -1.761063 28.60015 
1 1 1   -3   39   23 o   33.070   13.586   7.5369   18.001 -19.1442   52.053   11.161   19.185   43.081   20.029   35.501   14.229 7.580425 24.56860 
1 1 1   -3   39   24 o   87.244   14.503  107.313   30.488  143.769   58.730   93.864   35.671   91.439   25.002   78.744   18.461 12.69523 31.07932 
1 1 1   -3   39   25 o   32.619   13.428   7.0006   17.630   24.839   49.416   4.3987   18.872   51.621   21.944   32.272   13.632 19.34864 25.83388 
1 1 1   -3   39   26 o   68.433   24.242   77.856   51.842   91.347   55.757  -8.2333  140.850   72.855   25.188   63.390   30.467 9.465157 39.53040 
1 1 1   -3   39   27 f   63.111   15.818   57.995   24.880   60.111   49.496   57.280   28.780   62.297   23.428   61.851   17.723 0.4454918 29.37633 
1 1 1   -3   39   28 o  106.485   13.629  156.657   35.411  123.033   58.571  176.026   44.455   83.956   25.607  110.517   16.623 -26.56133 30.52939 
1 1 1   -3   39   29 f   49.258   15.849   34.401   22.140   22.731   45.791   37.962   25.293   50.160   21.214   51.460   16.966 -1.299919 27.16369 
1 1 1   -3   39   30 o   25.627   11.489  -4.8877   15.215   30.616   41.079 -10.5328   16.380   51.214   20.717   24.721   11.403 26.49308 23.64749 
1 1 1   -3   39   31 o   30.369   12.734   4.2317   16.274 -12.8482   39.389   7.7473   17.871   38.964   17.865   33.126   13.564 5.838303 22.43141 
1 1 1   -3   39   32 o   32.047   13.478   4.8026   18.319 -39.3002  119.772   5.8591   18.537   57.564   27.774   32.659   13.635 24.90585 30.94063 
1 1 1   -3   39   33 o   32.069   13.182   6.8824   16.959   2.1345   36.964   8.1482   19.086   41.242   18.232   34.006   13.982 7.235603 22.97666 
1 1 1   -3   39   34 o   50.421   16.763   36.608   24.672   3.0695  120.237   38.083   25.208   60.862   28.949   51.257   16.939 9.605003 33.54036 
1 1 1   -3   39   35 o   38.080   15.111   14.477   21.427   0.0000   0.0000   14.477   21.427  ?   ?    38.080   15.111 0.000000 15.11101 
1 1 1   -3   40    6 o   63.544   26.114  135.760   66.531  113.553   84.995  170.894  106.908   54.357   25.379   57.114   27.202 -2.756802 37.20268 
1 1 1   -3   40    7 o   47.252   21.909   41.867   61.646   31.032   78.804   58.954   98.961   46.575   22.486   49.545   24.209 -2.969894 33.04078 
1 1 1   -3   40    8 o   45.398   21.302   23.476   61.146   54.281   79.064 -22.3678   96.452   50.418   23.831   44.654   22.201 5.763706 32.56978 
1 1 1   -3   40    9 o   43.119   17.129   28.594   27.560   14.717   77.751   30.589   29.474   46.870   22.554   44.099   17.650 2.770351 28.63926 
1 1 1   -3   40   10 o   50.908   18.217   45.143   29.348   77.082   77.149   39.739   31.734   56.116   25.450   48.341   18.620 7.774223 31.53396 
1 1 1   -3   40   11 o   69.055   19.686   85.759   35.602   68.035  326.938   85.972   35.815   56.450   29.090   69.040   19.767 -12.59018 35.17019 
1 1 1   -3   40   12 o   55.278   28.479 -115.7171  310.140 -115.7171  310.140   0.0000   0.0000   55.278   28.479  ?   ?  0.000000 28.47882 
1 1 1   -3   40   13 o   55.576   17.754   51.242   27.821 -46.0398   71.637   68.520   30.191   42.204   20.617   64.016   18.087 -21.81157 27.42565 
1 1 1   -3   40   14 o   35.848   14.783   12.063   21.414   39.744   66.491   8.8598   22.619   53.086   23.891   35.102   14.881 17.98402 28.14670 
1 1 1   -3   40   15 o   27.007   12.259  -5.8315   17.953 -21.1496   63.797  -4.5142   18.709   43.814   20.908   28.011   12.634 15.80260 24.42854 
1 1 1   -3   40   16 o   40.808   16.031   20.514   23.888 -41.8479   63.485   30.800   25.783   41.553   20.091   46.037   16.988 -4.483192 26.31042 
1 1 1   -3   40   17 o   57.074   23.973   54.183   57.837   36.865   65.936  111.967  120.445   54.061   24.100   66.396   30.729 -12.33473 39.05207 
1 1 1   -3   40   18 o   57.675   16.949   51.878   26.026   84.704   63.454   45.239   28.537   65.373   25.984   53.686   18.030 11.68707 31.62731 
1 1 1   -3   40   19 o   64.851   17.333   65.695   28.609   79.097   64.983   62.473   31.863   64.259   26.034   62.143   18.872 2.116096 32.15493 
1 1 1   -3   40   20 o   50.078   16.243   37.488   23.219  152.647   60.232   17.388   25.164   90.022   25.586   40.374   16.255 49.64786 30.31327 
1 1 1   -3   40   21 o   43.711   15.732   26.175   21.916   17.525   58.990   27.560   23.605   50.430   22.615   44.767   16.295 5.663452 27.87425 
1 1 1   -3   40   22 o   54.772   17.820   46.103   27.938   23.359  186.318   46.626   28.258   64.214   31.735   55.022   17.923 9.191444 36.44592 
1 1 1   -3   40   23 o   60.403   17.162   55.962   27.103   59.882   63.476   55.088   29.973   60.730   25.282   59.339   18.356 1.390598 31.24310 
1 1 1   -3   40   24 o   78.000   15.171   88.700   28.486  136.783   61.338   75.478   32.165   85.043   26.251   69.550   18.280 15.49303 31.98883 
1 1 1   -3   40   25 o   61.012   15.923   55.595   24.519   83.684   55.720   48.849   27.305   68.019   24.993   56.549   17.525 11.46959 30.52495 
1 1 1   -3   40   26 o   47.913   15.669   33.144   21.590  110.668   53.406   18.000   23.605   78.406   24.544   40.392   15.913 38.01456 29.25122 
1 1 1   -3   40   27 o   43.288   19.595  -1.3246   45.486  -3.2998   47.598   19.463  154.416   43.648   19.870   63.572   30.877 -19.92391 36.71799 
1 1 1   -3   40   28 o   45.767   20.361   7.9390   46.808  -6.7513   48.939  165.653  160.354   43.461   19.922   75.748   35.195 -32.28625 40.44276 
1 1 1   -3   40   29 o   37.571   14.373   16.112   18.824   36.716   46.178   12.006   20.615   53.052   21.774   36.358   14.687 16.69390 26.26389 
1 1 1   -3   40   30 o   38.565   14.512   17.849   18.997   88.309   45.858   3.2528   20.872   71.597   22.786   32.804   14.111 38.79301 26.80102 
1 1 1   -3   40   31 o   58.504   16.046   51.264   24.148   36.570   46.481   56.695   28.260   52.937   21.799   60.673   17.614 -7.735909 28.02601 
1 1 1   -3   40   32 o   59.472   15.752   52.800   23.765   66.444   46.365   47.938   27.678   62.675   22.834   55.927   17.692 6.748211 28.88560 
1 1 1   -3   40   33 o   42.396   15.975   22.913   23.035   27.220  144.148   22.800   23.335   62.504   30.233   42.428   16.057 20.07589 34.23284 
1 1 1   -3   41   10 o   45.913   23.022   8.2177  113.883   0.0000   0.0000   8.2177  113.883  ?   ?    45.913   23.022 0.000000 23.02186 
1 1 1   -3   41   11 o   40.851   19.742  -7.3097   61.106 -28.1636   71.741   47.806  116.630   40.554   19.975   49.425   24.545 -8.871162 31.64615 
1 1 1   -3   41   12 o   23.364   11.259 -21.6073   19.535 -34.0974   74.110 -20.6746   20.252   41.080   20.247   24.079   11.568 17.00085 23.31895 
1 1 1   -3   41   13 o   41.180   16.359   24.667   25.135   65.928   74.529   19.372   26.700   53.374   24.510   39.369   16.394 14.00499 29.48712 
1 1 1   -3   41   14 o   52.449   18.624   48.996   30.616 -45.5533  321.655   49.861   30.756   53.390   27.568   52.824   18.676 0.5662079 33.29837 
1 1 1   -3   41   15 o   24.578   11.525 -12.3873   17.848 -34.1317   67.355 -10.7452   18.509   41.301   20.135   25.541   11.897 15.76020 23.38693 
1 1 1   -3   41   16 o   32.092   13.889   4.9004   20.474 -12.0558   65.829   6.7164   21.543   43.844   21.008   33.333   14.337 10.51087 25.43355 
1 1 1   -3   41   17 o   31.295   13.637   3.1798   20.009   12.252   65.152   2.2351   21.025   47.390   22.157   31.544   13.856 15.84519 26.13247 
1 1 1   -3   41   18 o   44.012   20.607  -1.5337   56.700 -50.4956   62.611  221.659  133.679   39.417   19.259   72.358   33.079 -32.94049 38.27681 
1 1 1   -3   41   19 o   39.726   15.708   19.552   23.077   16.174   68.359   19.986   24.516   49.298   22.930   40.336   16.114 8.962254 28.02587 
1 1 1   -3   41   20 o   34.462   14.283   10.124   20.129   22.190   60.788   8.6385   21.333   49.415   22.480   34.437   14.517 14.97867 26.75978 
1 1 1   -3   41   21 o   47.824   16.390   34.921   23.585   68.478   62.323   29.312   25.480   59.511   24.935   45.072   16.837 14.43845 30.08749 
1 1 1   -3   41   22 o   37.941   14.947   16.696   20.821   33.957   59.418   14.280   22.231   52.008   23.048   37.377   15.197 14.63105 27.60712 
1 1 1   -3   41   23 o   51.481   16.511   41.084   24.043   83.648   60.581   33.126   26.195   64.271   25.439   47.222   17.169 17.04890 30.69075 
1 1 1   -3   41   24 o   50.184   17.379   38.822   26.549   74.855  211.533   38.245   26.761   63.143   31.620   49.888   17.438 13.25517 36.10941 
1 1 1   -3   41   25 o   39.511   15.311   19.053   21.556  -1.6406   59.355   22.197   23.136   46.066   21.407   41.505   15.921 4.561386 26.67830 
1 1 1   -3   41   26 o   41.477   15.395   23.025   21.234   40.996   56.155   20.026   22.937   53.797   23.143   40.453   15.760 13.34405 28.00011 
1 1 1   -3   41   27 o   72.360   15.923   79.464   27.991  107.756   59.006   71.248   31.797   72.784   25.854   66.284   18.503 6.499992 31.79308 
1 1 1   -3   41   28 o   54.792   16.382   46.379   24.146   64.501   53.783   41.804   27.023   59.959   23.894   51.888   17.545 8.071346 29.64388 
1 1 1   -3   41   29 o   37.044   17.681 -31.4736   45.664 -12.5002   47.211 -306.8194  179.849   40.723   18.980   49.050   25.044 -8.326496 31.42343 
1 1 1   -3   41   30 o   89.230   15.473  118.560   33.228  140.968   62.097  109.569   39.333   83.093   26.522   81.728   19.538 1.365685 32.94169 
1 1 1   -3   42   17 o   26.598   12.359  -9.0976   19.777 -22.6539   68.341  -7.8586   20.661   41.281   20.159   27.524   12.734 13.75672 23.84445 
1 1 1   -3   42   18 o   43.855   16.596   30.607   24.927   1.2856   71.515   34.662   26.595   44.754   21.560   45.775   17.181 -1.020729 27.56867 
1 1 1   -3   42   19 o   38.567   15.600   19.041   23.290   72.559   68.271   11.993   24.776   55.461   24.635   36.261   15.479 19.19974 29.09492 
1 1 1   -3   42   20 o   52.680   23.756   53.926   66.127  101.134   72.244 -189.9558  164.205   61.308   26.309   46.054   23.548 15.25392 35.30800 
1 1 1   -3   42   21 o   19.529   9.5114 -22.7435   14.926 -24.4814   61.994 -22.6366   15.378   41.122   19.875   19.965   9.7080 21.15665 22.11959 
1 1 1   -3   42   22 o   26.571   12.127  -5.9240   17.877 -63.2583   63.042  -0.9105   18.642   37.635   18.573   28.802   12.829 8.832987 22.57317 
1 1 1   -3   42   23 o   27.160   12.263  -3.8664   17.687  -9.0188   60.736  -3.3890   18.488   43.187   20.551   27.893   12.571 15.29454 24.09138 
1 1 1   -3   42   24 o   50.483   16.692   41.323   24.477  123.772   64.344   27.372   26.467   71.338   26.735   43.543   16.939 27.79561 31.64920 
1 1 1   -3   42   25 o   94.715   15.377  137.515   35.123  217.631   72.184  112.664   40.203   97.823   28.079   79.998   20.139 17.82478 34.55384 
1 1 1   -2  -38    1 o   40.960   18.748   13.617   43.124  116.026   88.038 -18.7114   49.465   57.670   26.540   37.191   17.920 20.47847 32.02392 
1 1 1   -2  -38    2 o   41.238   18.945   18.176   44.591   71.321   88.773   0.2426   51.569   50.156   24.127   39.467   18.824 10.68851 30.60124 
1 1 1   -2  -37    1 o   32.386   15.478 -25.1435   35.242   50.881   75.938 -46.0128   39.786   53.615   24.665   31.396   15.343 22.21888 29.04750 
1 1 1   -2  -37    2 o   32.978   15.758 -22.7554   36.493 -33.8827   76.837 -19.5144   41.468   42.788   20.995   35.480   16.911 7.307262 26.95841 
1 1 1   -2  -37    3 o   36.333   17.305 -14.4378   43.270   0.0000   0.0000 -14.4378   43.270  ?   ?    36.333   17.305 0.000000 17.30498 
1 1 1   -2  -37    4 o   61.192   28.172  169.203   99.316  169.203   99.316   0.0000   0.0000   61.192   28.172  ?   ?  0.000000 28.17160 
1 1 1   -2  -36    1 o   65.995   18.093   70.821   30.708   95.830   40.442   36.766   47.192   74.071   20.935   51.072   21.564 22.99805 30.05501 
1 1 1   -2  -36    2 o   43.766   17.316   25.918   28.060   30.033   36.960   20.318   43.113   46.926   19.393   45.419   19.898 1.507561 27.78531 
1 1 1   -2  -36    3 o   32.940   15.593 -19.8809   34.085 -16.0581   76.757 -20.8198   38.041   45.897   22.167   34.562   16.393 11.33525 27.57030 
1 1 1   -2  -36    4 o   31.029   14.928 -28.7505   34.018 -26.8591   80.771 -29.1584   37.507   44.522   21.779   32.570   15.671 11.95161 26.83111 
1 1 1   -2  -36    5 o   56.355   21.668   66.288   42.919  166.415   91.790   38.272   48.554   67.119   29.229   47.947   21.058 19.17172 36.02434 
1 1 1   -2  -35    1 o  125.029   13.422  218.974   41.251  234.988   53.406  195.289   64.947  124.981   17.599  104.518   25.182 20.46316 30.72227 
1 1 1   -2  -35    2 o   91.201   15.814  123.525   34.710  141.994   46.044   99.214   52.827   93.181   20.357   72.474   24.531 20.70676 31.87749 
1 1 1   -2  -35    3 o   56.116   18.193   50.708   29.131   48.022   39.417   53.941   43.242   54.342   20.796   56.481   21.741 -2.138889 30.08577 
1 1 1   -2  -35    4 o   67.560   21.463   82.755   40.702  136.495   84.731   66.634   46.407   71.840   29.490   59.851   22.645 11.98926 37.18192 
1 1 1   -2  -35    5 o   62.055   21.541   72.315   40.799   63.134   88.462   74.796   45.981   56.990   26.361   61.758   22.703 -4.767979 34.78965 
1 1 1   -2  -35    6 o   39.993   17.690   11.543   34.842  111.032   89.359  -6.2941   37.837   61.954   27.805   36.889   17.126 25.06533 32.65588 
1 1 1   -2  -35    7 o   51.322   24.741   42.819   94.546   42.819   94.546   0.0000   0.0000   51.322   24.741  ?   ?  0.000000 24.74072 
1 1 1   -2  -34    1 o   54.256   17.369   42.738   26.617   57.270   35.801   24.777   39.801   61.326   20.183   49.240   20.212 12.08656 28.56383 
1 1 1   -2  -34    2 f   94.764   23.372  149.516   54.962  149.516   54.962   0.0000   0.0000   94.764   23.372  ?   ?  0.000000 23.37168 
1 1 1   -2  -34    3 o  116.000   13.194  187.207   37.540  237.663   50.151  122.906   56.615  127.842   16.064   82.166   25.197 45.67561 29.88190 
1 1 1   -2  -34    4 o   85.419   15.648  107.743   32.148  128.358   44.013   84.167   47.068   88.866   20.281   68.675   23.156 20.19096 30.78121 
1 1 1   -2  -34    5 o   42.858   16.783   23.198   26.112   22.422   38.096   23.885   35.860   45.797   19.358   45.682   19.009 0.1149979 27.13043 
1 1 1   -2  -34    6 o   48.276   19.154   33.756   34.423   18.037   85.026   36.838   37.646   52.748   24.865   49.782   19.939 2.966370 31.87230 
1 1 1   -2  -34    7 o   55.484   20.267   53.835   36.563  221.059   90.307   21.048   39.987   88.332   31.915   44.705   19.380 43.62664 37.33809 
1 1 1   -2  -34    8 o   75.255   21.273  105.608   41.754  271.884   99.708   70.247   45.980   91.449   33.459   59.163   22.503 32.28606 40.32264 
1 1 1   -2  -33    1 o   40.274   15.759   15.685   23.009   20.900   31.723   9.8951   33.422   46.211   18.371   43.068   18.164 3.143620 25.83465 
1 1 1   -2  -33    2 o   50.407   16.750   34.950   24.635   48.805   34.211   20.027   35.505   58.269   19.741   46.964   19.162 11.30575 27.51164 
1 1 1   -2  -33    3 o   94.924   20.336  137.126   46.754  137.126   46.754   0.0000   0.0000   94.924   20.336  ?   ?  0.000000 20.33605 
1 1 1   -2  -33    4 o   81.486   15.670   95.570   30.729   89.468   42.512  102.246   44.469   74.492   21.597   79.605   21.752 -5.112999 30.65200 
1 1 1   -2  -33    5 o   52.246   17.119   40.327   25.766   69.885   37.615   14.198   35.367   65.788   20.599   43.643   18.559 22.14471 27.72639 
1 1 1   -2  -33    6 o   55.511   17.503   47.372   27.107   68.322   39.928   29.461   36.918   63.813   21.328   48.508   19.633 15.30521 28.98871 
1 1 1   -2  -33    7 o   58.561   20.269   56.962   36.111  -9.4693   88.805   70.123   39.527   51.531   24.612   63.772   21.218 -12.24058 32.49541 
1 1 1   -2  -33    8 o   47.646   18.765   32.373   32.812 -77.0027   87.338   50.347   35.405   44.205   21.824   55.046   19.969 -10.84054 29.58108 
1 1 1   -2  -33    9 o   36.315   16.246   1.7769   30.251 -100.8270   94.895   13.383   31.916   43.272   21.594   40.331   17.398 2.941170 27.73136 
1 1 1   -2  -33   10 o   72.240   31.950  203.640  113.632  203.640  113.632   0.0000   0.0000   72.240   31.950  ?   ?  0.000000 31.95037 
1 1 1   -2  -32    1 f  104.780   16.259  149.793   41.164  202.116   81.195  131.693   47.756  112.906   28.728   95.775   20.580 17.13109 35.33880 
1 1 1   -2  -32    2 o   93.986   13.326  118.261   30.400  153.161   41.783   79.008   44.313  105.498   16.392   73.063   22.271 32.43475 27.65285 
1 1 1   -2  -32    3 o  141.217   11.929  262.936   41.674  273.157   54.954  249.104   63.929  141.181   15.862  131.372   20.128 9.808762 25.62730 
1 1 1   -2  -32    4 o   38.722   15.531   12.679   22.875 -29.2652   34.452   45.748   30.591   33.666   15.857   56.765   18.656 -23.09883 24.48439 
1 1 1   -2  -32    5 o   58.744   21.755   49.087   42.359   49.087   42.359   0.0000   0.0000   58.744   21.755  ?   ?  0.000000 21.75502 
1 1 1   -2  -32    6 o   43.857   16.368   23.790   24.070   38.440   35.943   11.879   32.410   53.026   19.960   42.299   17.866 10.72687 26.78777 
1 1 1   -2  -32    7 o   85.811   15.386  106.241   31.759  124.165   46.187   90.165   43.741   87.685   21.304   73.671   22.053 14.01399 30.66253 
1 1 1   -2  -32    8 o   68.027   17.194   70.893   29.223   64.952   43.963   75.596   39.115   62.124   22.290   67.366   20.991 -5.242920 30.61792 
1 1 1   -2  -32    9 o   37.737   16.588   4.2212   30.183   0.0000   0.0000   4.2212   30.183  ?   ?    37.737   16.588 0.000000 16.58767 
1 1 1   -2  -32   10 o   87.471   20.078  127.740   42.928  316.020  102.965   88.126   47.229  110.737   33.984   68.376   23.194 42.36133 41.14463 
1 1 1   -2  -32   11 o   58.788   20.431   61.205   36.711   92.929   97.574   55.974   39.622   61.817   28.260   56.238   20.998 5.579121 35.20744 
1 1 1   -2  -31    1 o  194.335   11.465  486.286   55.391  530.242   71.061  418.226   88.424  201.341   14.225  174.336   20.717 27.00517 25.13028 
1 1 1   -2  -31    2 o   45.675   15.948   25.387   22.379   42.880   33.063   10.598   30.401   57.233   19.407   42.724   17.616 14.50944 26.20968 
1 1 1   -2  -31    3 o  120.069   15.861  194.544   46.393  196.626   87.944  193.742   54.610  110.135   30.782  117.857   19.217 -7.721992 36.28857 
1 1 1   -2  -31    4 o  120.180   12.692  190.745   37.514  157.081   50.580  231.904   55.928  104.825   20.053  129.478   17.766 -24.65303 26.79099 
1 1 1   -2  -31    5 o  130.744   11.860  225.088   38.302  269.575   52.198  173.194   56.377  141.037   15.053  108.331   21.598 32.70583 26.32617 
1 1 1   -2  -31    6 o   85.233   20.509  108.615   43.124  108.615   43.124   0.0000   0.0000   85.233   20.509  ?   ?  0.000000 20.50932 
1 1 1   -2  -31    7 o   62.666   16.731   56.945   26.674   91.796   39.996   29.024   35.799   77.559   20.383   50.054   19.637 27.50539 28.30323 
1 1 1   -2  -31    8 o   48.018   18.520   28.272   31.427   0.0000   0.0000   28.272   31.427  ?   ?    48.018   18.520 0.000000 18.52018 
1 1 1   -2  -31    9 o   51.302   20.645   32.930   40.565   32.930   40.565   0.0000   0.0000   51.302   20.645  ?   ?  0.000000 20.64462 
1 1 1   -2  -31   10 o   86.199   19.813  118.551   41.755   39.161   95.275  137.424   46.453   59.844   27.566   92.102   20.701 -32.25794 34.47387 
1 1 1   -2  -31   11 o   48.605   18.686   33.513   31.915   72.822   96.064   28.636   33.837   62.834   28.456   47.080   18.887 15.75397 34.15383 
1 1 1   -2  -31   12 o   41.380   17.399   16.473   30.517   7.5225   97.799   17.439   32.121   53.557   25.647   42.226   17.808 11.33190 31.22311 
1 1 1   -2  -31   13 o   80.274   34.158  242.187  119.937  242.187  119.937   0.0000   0.0000   80.274   34.158  ?   ?  0.000000 34.15767 
1 1 1   -2  -30    1 f   67.283   15.072   60.880   24.695   87.856   34.608   32.893   35.250   80.317   17.729   54.038   19.876 26.27887 26.63405 
1 1 1   -2  -30    2 o  189.002   11.522  458.599   54.119  482.539   69.321  421.235   86.603  192.355   14.539  176.341   20.021 16.01488 24.74338 
1 1 1   -2  -30    3 o   39.313   15.122   14.343   20.909 -16.0312   31.305   38.804   28.093   35.456   16.131   54.581   17.875 -19.12452 24.07700 
1 1 1   -2  -30    4 o   52.669   18.055   35.211   28.619   66.775   75.204   29.865   30.948   73.505   28.565   50.816   18.634 22.68885 34.10554 
1 1 1   -2  -30    5 o  142.297   11.859  263.495   41.757  282.946   56.076  239.284   62.563  145.348   15.699  131.058   19.728 14.29077 25.21195 
1 1 1   -2  -30    6 o  207.080   12.187  560.110   62.742  571.469   80.922  542.990   99.346  206.098   15.845  196.163   20.588 9.934280 25.97900 
1 1 1   -2  -30    7 o  118.148   19.304  198.825   54.986   0.0000   0.0000  198.825   54.986  ?   ?   118.148   19.304 0.000000 19.30366 
1 1 1   -2  -30    8 o   51.045   20.640   25.848   40.760   25.848   40.760   0.0000   0.0000   51.045   20.640  ?   ?  0.000000 20.64045 
1 1 1   -2  -30    9 o   35.828   14.878   7.6014   21.906  -2.8993   36.396   13.566   27.431   40.382   17.960   41.129   16.820 -0.7478561 24.60607 
1 1 1   -2  -30   10 f   30.661   13.589  -3.2429   20.663 -23.9169   35.832   7.0574   25.292   34.999   16.385   37.259   15.762 -2.259235 22.73606 
1 1 1   -2  -30   11 o   58.841   17.460   52.313   27.506   19.115   43.449   74.517   35.534   47.894   20.473   68.695   19.695 -20.80141 28.40884 
1 1 1   -2  -30   12 o   25.956   12.381 -23.7372   22.318  -1.8749   93.762 -25.0502   22.978   54.591   25.848   26.167   12.504 28.42454 28.71360 
1 1 1   -2  -30   13 o   51.591   19.087   40.513   32.592   25.853  102.188   42.173   34.388   57.296   27.085   52.399   19.562 4.896900 33.41121 
1 1 1   -2  -30   14 o   75.841   20.477   98.567   39.689  205.349  113.312   83.635   42.374   79.517   33.486   67.972   21.932 11.54454 40.02872 
1 1 1   -2  -29    1 o  108.382   19.818  159.170   51.660  159.170   51.660   0.0000   0.0000  108.382   19.818  ?   ?  0.000000 19.81787 
1 1 1   -2  -29    2 o   91.579   13.267  109.608   29.457   46.279   39.697  187.211   43.943   61.056   21.245  119.519   15.057 -58.46327 26.03945 
1 1 1   -2  -29    3 o   99.149   12.366  127.645   29.951  150.816   41.245  101.792   43.566  106.639   15.980   85.728   20.605 20.91099 26.07603 
1 1 1   -2  -29    4 o  130.696   11.499  219.908   37.149  252.928   50.032  179.335   55.460  138.994   14.634  114.392   20.151 24.60216 24.90433 
1 1 1   -2  -29    5 o  108.760   12.810  154.356   34.125  111.129   46.884  203.054   49.763   88.797   21.396  123.299   16.583 -34.50183 27.06994 
1 1 1   -2  -29    6 o  234.854   15.410  727.342   89.875  823.079  144.680  667.183  114.688  240.653   24.413  219.844   21.152 20.80910 32.30154 
1 1 1   -2  -29    7 f  139.079   17.098  262.134   58.131  262.134   58.131   0.0000   0.0000  139.079   17.098  ?   ?  0.000000 17.09769 
1 1 1   -2  -29    8 o  123.601   12.310  200.711   37.490  217.094   52.496  183.656   53.559  125.805   17.157  114.120   19.494 11.68452 25.96918 
1 1 1   -2  -29    9 o  143.377   17.291  284.640   60.659  284.640   60.659   0.0000   0.0000  143.377   17.291  ?   ?  0.000000 17.29081 
1 1 1   -2  -29   10 o   72.680   15.981   74.597   28.216   64.883   42.531   82.233   37.709   66.009   22.012   74.375   19.909 -8.366318 29.67956 
1 1 1   -2  -29   11 o   43.676   16.331   22.701   23.984   20.607   40.351   23.845   29.825   48.627   20.193   46.178   17.977 2.448315 27.03581 
1 1 1   -2  -29   12 o  165.448   12.627  370.825   51.777  383.339   70.529  356.197   76.253  162.384   17.678  153.006   20.470 9.378052 27.04729 
1 1 1   -2  -29   13 f   54.404   19.149   44.178   32.297  166.954  105.155   31.390   33.938   83.191   33.323   49.229   19.173 33.96272 38.44503 
1 1 1   -2  -29   14 o  145.554   17.370  317.522   61.889  331.424  126.547  313.151   70.954  107.555   37.899  139.506   21.020 -31.95124 43.33751 
1 1 1   -2  -29   15 o  158.599   16.756  378.186   65.358  533.372  133.361  329.131   74.979  147.136   36.477  139.590   22.257 7.545837 42.73154 
1 1 1   -2  -29   16 o   44.438   22.258 -126.7863  105.113 -126.7863  105.113   0.0000   0.0000   44.438   22.258  ?   ?  0.000000 22.25845 
1 1 1   -2  -28    1 o  263.198   12.372  882.221   81.319  901.757  101.476  847.162  135.941  264.249   15.445  252.001   21.817 12.24770 26.73119 
1 1 1   -2  -28    2 o  172.879   14.479  386.293   61.933  386.293   61.933   0.0000   0.0000  172.879   14.479  ?   ?  0.000000 14.47922 
1 1 1   -2  -28    3 o  136.762   12.185  240.271   41.180  187.617   54.340  311.301   63.114  118.281   19.044  154.063   16.671 -35.78174 25.30969 
1 1 1   -2  -28    4 o  186.303   11.986  444.527   55.466  400.920   71.172  511.977   88.516  174.939   16.486  196.886   18.210 -21.94650 24.56423 
1 1 1   -2  -28    5 o  110.973   12.715  159.676   34.599  123.108   47.372  201.486   50.653   94.470   20.656  123.221   16.907 -28.75138 26.69332 
1 1 1   -2  -28    6 o   71.426   15.047   68.507   25.992   80.672   39.601   59.301   34.451   76.267   20.397   66.001   19.530 10.26598 28.23916 
1 1 1   -2  -28    7 o  184.920   15.178  448.657   69.470  440.828  117.781  452.834   86.027  173.785   28.099  183.282   19.075 -9.496689 33.96222 
1 1 1   -2  -28    8 o  139.516   12.397  252.961   42.740  229.674   58.097  280.430   63.099  129.896   18.427  144.018   17.934 -14.12178 25.71322 
1 1 1   -2  -28    9 o  196.835   12.431  504.215   60.787  490.154   79.411  524.113   94.468  190.893   16.831  194.947   19.674 -4.054413 25.89129 
1 1 1   -2  -28   10 o  154.874   12.099  313.758   46.422  318.617   63.784  308.286   67.692  152.798   17.005  149.084   18.586 3.713943 25.19162 
1 1 1   -2  -28   11 o   84.434   24.126  110.110   53.406  110.110   53.406   0.0000   0.0000   84.434   24.126  ?   ?  0.000000 24.12563 
1 1 1   -2  -28   12 o   60.152   16.552   51.649   25.645   66.157   43.090   43.691   31.912   66.424   22.156   55.945   19.065 10.47881 29.22975 
1 1 1   -2  -28   13 o   88.991   14.898  110.745   31.937  100.988   49.087  117.907   42.056   79.119   23.284   88.654   19.524 -9.535149 30.38684 
1 1 1   -2  -28   14 o  111.983   13.304  172.561   36.476  211.206   55.358  142.910   48.491  118.352   19.403   95.592   20.897 22.75996 28.51597 
1 1 1   -2  -28   15 o   59.568   18.946   55.149   31.710   90.535  106.639   51.717   33.212   69.009   30.715   57.778   19.451 11.23092 36.35555 
1 1 1   -2  -28   16 o   62.001   19.211   61.787   32.813   32.861  109.497   64.641   34.394   59.879   28.224   63.071   19.689 -3.191841 34.41273 
1 1 1   -2  -28   17 o   44.440   17.495   25.411   28.507   52.113  113.116   23.600   29.458   60.353   28.520   43.953   17.626 16.39916 33.52723 
1 1 1   -2  -27    1 o  189.438   10.822  455.670   50.984  473.547   64.645  426.250   82.930  192.233   13.553  180.249   18.696 11.98399 23.09176 
1 1 1   -2  -27    2 o   77.676   12.898   78.783   24.141   52.782   33.016  108.657   35.389   63.252   19.211   90.586   16.241 -27.33362 25.15616 
1 1 1   -2  -27    3 o  216.043   11.529  594.255   61.976  615.871   78.446  558.354  101.096  218.761   14.441  205.493   19.952 13.26790 24.63009 
1 1 1   -2  -27    4 o   80.297   20.679   88.216   41.715   88.216   41.715   0.0000   0.0000   80.297   20.679  ?   ?  0.000000 20.67866 
1 1 1   -2  -27    5 o  249.632   21.285  832.500  131.421   0.0000   0.0000  832.500  131.421  ?   ?   249.632   21.285 0.000000 21.28534 
1 1 1   -2  -27    6 o  293.936   17.160  1129.46  125.410  1129.46  125.410   0.0000   0.0000  293.936   17.160  ?   ?  0.000000 17.16009 
1 1 1   -2  -27    7 o  239.515   12.146  734.954   72.410  753.860   92.366  704.810  116.633  240.719   15.447  229.190   20.599 11.52946 25.74735 
1 1 1   -2  -27    8 o  134.053   11.779  231.439   39.031  238.499   54.494  224.002   55.930  134.136   16.625  129.415   17.776 4.720459 24.33881 
1 1 1   -2  -27    9 o   77.757   14.678   80.926   27.455   76.153   43.091   84.188   35.621   73.815   21.842   78.104   18.541 -4.289314 28.65034 
1 1 1   -2  -27   10 o  152.907   12.094  303.012   45.803  297.909   62.482  308.941   67.343  148.954   17.108  151.024   18.225 -2.070709 24.99667 
1 1 1   -2  -27   11 o  142.075   12.166  263.197   42.746  275.180   59.900  250.762   61.020  142.405   17.192  134.980   18.597 7.425293 25.32615 
1 1 1   -2  -27   12 o   49.753   20.598   17.749   41.800   17.749   41.800   0.0000   0.0000   49.753   20.598  ?   ?  0.000000 20.59781 
1 1 1   -2  -27   13 f   78.975   15.399   86.469   29.277   71.100   46.471   96.584   37.700   69.143   23.006   81.751   18.852 -12.60840 29.74379 
1 1 1   -2  -27   14 o  174.293   12.623  405.172   54.569  399.941   74.225  411.326   80.502  167.834   17.990  168.521   19.489 -0.6872711 26.52291 
1 1 1   -2  -27   15 o  144.525   12.223  280.504   43.700  344.693   63.611  223.135   60.136  155.898   16.595  121.474   20.558 34.42352 26.41997 
1 1 1   -2  -27   16 o   67.921   18.982   71.187   33.444   9.4905  105.960   78.014   35.246   59.932   28.096   70.875   19.364 -10.94281 34.12252 
1 1 1   -2  -27   17 o   49.962   18.026   35.797   28.794   66.378  109.431   33.522   29.846   65.209   29.854   49.070   18.244 16.13866 34.98719 
1 1 1   -2  -27   18 o   57.848   19.195   53.507   32.358 -58.2680  113.921   63.317   33.748   52.092   25.561   62.391   19.507 -10.29959 32.15426 
1 1 1   -2  -26    1 o  116.747   14.553  176.544   41.506  108.477   71.694  210.859   50.904   89.365   28.495  127.164   16.413 -37.79908 32.88440 
1 1 1   -2  -26    2 o  187.756   10.880  447.402   50.793  445.153   64.678  451.019   82.043  186.299   14.005  186.004   17.884 0.2946777 22.71497 
1 1 1   -2  -26    3 o  214.850   11.035  585.928   59.005  616.712   74.777  535.136   96.051  219.474   13.713  201.935   19.282 17.53853 23.66062 
1 1 1   -2  -26    4 o  114.936   17.084  173.994   47.541   0.0000   0.0000  173.994   47.541  ?   ?   114.936   17.084 0.000000 17.08364 
1 1 1   -2  -26    5 o  166.884   15.055  360.248   62.064  360.248   62.064   0.0000   0.0000  166.884   15.055  ?   ?  0.000000 15.05474 
1 1 1   -2  -26    6 o  125.384   11.661  201.428   36.092  209.774   49.380  191.857   52.882  126.612   15.974  120.200   18.186 6.412544 24.20525 
1 1 1   -2  -26    7 o  286.306   13.488  1049.39   96.435  1018.45  120.663  1104.08  160.444  279.317   17.385  286.657   22.597 -7.339569 28.51087 
1 1 1   -2  -26    8 o  372.905   16.338  1804.76  152.140  1681.56  188.347  2036.07  258.079  354.700   21.364  382.813   27.174 -28.11276 34.56607 
1 1 1   -2  -26    9 o  220.287   12.431  622.636   68.101  610.694   87.658  640.818  108.161  216.050   16.369  218.931   20.005 -2.881470 25.84852 
1 1 1   -2  -26   10 o  155.603   14.990  316.736   57.525  316.715  108.370  316.744   67.877  145.791   30.735  154.107   17.976 -8.315979 35.60571 
1 1 1   -2  -26   11 o   47.611   15.843   28.585   22.036   0.7989   38.026   42.635   27.040   43.965   18.979   56.532   17.426 -12.56666 25.76546 
1 1 1   -2  -26   12 o  197.880   11.571  505.258   56.930  579.831   76.385  412.072   85.387  210.018   14.657  173.068   20.133 36.94957 24.90318 
1 1 1   -2  -26   13 o   52.083   16.378   36.353   23.751   29.887   41.139   39.586   29.088   53.826   21.069   54.663   18.202 -0.8368721 27.84296 
1 1 1   -2  -26   14 o  130.008   22.496  247.571   70.391  247.571   70.391   0.0000   0.0000  130.008   22.496  ?   ?  0.000000 22.49610 
1 1 1   -2  -26   15 o  107.139   13.389  154.399   35.039  166.501   53.397  145.248   46.436  106.284   20.863  100.246   19.249 6.038246 28.38691 
1 1 1   -2  -26   16 o  158.621   12.520  336.529   49.187  370.677   69.390  302.043   69.734  161.640   17.469  143.189   20.052 18.45068 26.59414 
1 1 1   -2  -26   17 o   58.628   18.237   51.098   29.537   78.190  104.577   48.750   30.791   70.384   30.909   57.374   18.710 13.01019 36.13036 
1 1 1   -2  -26   18 o  123.974   16.912  224.477   50.990  250.174  121.521  218.986   56.174   97.421   36.695  119.786   19.446 -22.36435 41.52938 
1 1 1   -2  -26   19 o   32.736   14.378   0.1044   22.638   17.734  113.406  -0.6273   23.103   59.497   28.245   32.779   14.456 26.71778 31.72963 
1 1 1   -2  -26   20 o   48.581   17.858   34.373   28.450   32.914  122.063   34.457   29.255   59.877   28.668   48.714   18.072 11.16351 33.88859 
1 1 1   -2  -25    1 o   70.687   12.184   65.014   20.730   56.918   28.827   73.685   29.832   65.402   17.361   74.449   16.481 -9.047241 23.93820 
1 1 1   -2  -25    2 o  117.464   10.708  175.677   31.066  161.958   41.005  194.161   47.596  111.667   15.092  122.171   15.984 -10.50349 21.98293 
1 1 1   -2  -25    3 o  244.954   20.638  787.654  125.067   0.0000   0.0000  787.654  125.067  ?   ?   244.954   20.638 0.000000 20.63824 
1 1 1   -2  -25    4 o   73.174   18.022   71.876   32.714   71.876   32.714   0.0000   0.0000   73.174   18.022  ?   ?  0.000000 18.02198 
1 1 1   -2  -25    5 o  213.888   11.956  582.204   63.604  541.303   80.270  651.208  104.262  204.762   15.821  223.196   18.883 -18.43434 24.63520 
1 1 1   -2  -25    6 o  126.011   11.486  202.938   35.745  172.626   47.705  241.741   53.975  114.455   17.225  136.181   16.189 -21.72592 23.63845 
1 1 1   -2  -25    7 o  145.263   18.921  279.070   67.008  279.070   67.008   0.0000   0.0000  145.263   18.921  ?   ?  0.000000 18.92147 
1 1 1   -2  -25    8 o   64.948   15.322   56.361   24.448 -18.2572   36.017  120.116   33.292   38.353   17.392   95.834   14.353 -57.48103 22.54975 
1 1 1   -2  -25    9 o  157.974   11.661  319.066   45.678  300.453   60.679  343.407   69.390  151.600   16.283  161.652   17.467 -10.05244 23.87994 
1 1 1   -2  -25   10 o  124.809   12.174  200.493   37.458  181.559   52.233  220.542   53.748  116.434   18.590  129.184   17.080 -12.75066 25.24472 
1 1 1   -2  -25   11 o  249.753   17.041  818.308  105.647  689.718  164.239  909.070  137.983  217.569   31.115  259.707   21.469 -42.13745 37.80310 
1 1 1   -2  -25   12 f   93.829   13.743  115.750   31.246   99.745   47.599  127.868   41.419   84.194   22.289   97.231   17.711 -13.03668 28.46918 
1 1 1   -2  -25   13 o  101.634   13.077  135.376   32.420  139.090   49.227  132.530   43.083   99.924   20.418   98.492   18.187 1.432823 27.34286 
1 1 1   -2  -25   14 o  193.051   12.790  485.143   61.309  448.628   81.384  533.057   93.225  181.917   18.157  197.577   19.135 -15.66008 26.37859 
1 1 1   -2  -25   15 o  217.150   22.766  677.066  121.614  677.066  121.614   0.0000   0.0000  217.150   22.766  ?   ?  0.000000 22.76564 
1 1 1   -2  -25   16 o  158.825   12.589  332.880   49.520  332.387   69.070  333.401   71.034  154.281   18.284  154.011   18.864 0.2705231 26.27058 
1 1 1   -2  -25   17 o  107.687   13.204  156.218   34.763  194.351   54.940  130.758   44.892  115.492   19.760   94.352   19.690 21.14017 27.89492 
1 1 1   -2  -25   18 o   34.872   14.538   6.7161   21.031 -21.5004   44.483   14.839   23.867   40.140   18.611   39.905   15.913 0.2355881 24.48666 
1 1 1   -2  -25   19 o  148.326   17.283  319.145   62.814  223.523  128.969  348.882   71.921   92.628   36.973  152.627   19.302 -59.99918 41.70803 
1 1 1   -2  -25   20 o   48.036   17.623   31.695   27.688 -38.5881  114.186   36.086   28.539   55.444   26.840   50.247   17.966 5.196869 32.29838 
1 1 1   -2  -25   21 o   41.895   16.657   19.853   26.083 -11.1397  121.612   21.348   26.704   57.243   27.708   42.732   16.897 14.51035 32.45401 
1 1 1   -2  -24    1 o  311.950   13.191  1233.49  102.758  1244.64  127.094  1212.45  174.620  311.695   16.386  303.809   23.192 7.886871 28.39653 
1 1 1   -2  -24    2 o  111.677   11.226  159.040   30.884  108.495   40.494  229.320   47.749   90.262   18.585  133.491   14.560 -43.22899 23.60897 
1 1 1   -2  -24    3 f  236.186   11.980  707.813   70.429  673.981   87.973  768.200  117.532  229.243   15.458  242.947   19.538 -13.70364 24.91348 
1 1 1   -2  -24    4 o  180.611   12.798  415.925   57.346  515.350   91.890  352.501   73.392  198.923   18.718  164.431   18.178 34.49214 26.09230 
1 1 1   -2  -24    5 o  111.652   10.675  158.881   29.400  169.087   39.810  146.638   43.603  114.342   14.252  105.542   17.131 8.799767 22.28436 
1 1 1   -2  -24    6 o  244.650   11.933  758.856   72.906  772.084   91.572  735.956  120.488  245.262   15.024  236.635   20.595 8.627319 25.49263 
1 1 1   -2  -24    7 o  281.154   12.974  1005.65   91.090  1003.01  113.741  1010.35  152.107  278.802   16.409  276.146   22.246 2.656403 27.64354 
1 1 1   -2  -24    8 f  121.034   15.991  191.319   47.148  191.319   47.148   0.0000   0.0000  121.034   15.991  ?   ?  0.000000 15.99070 
1 1 1   -2  -24    9 o  280.929   13.428  1007.25   94.198  982.357  118.083  1050.82  156.212  275.005   17.283  280.787   22.467 -5.781647 28.34505 
1 1 1   -2  -24   10 o  228.038   12.069  663.295   68.485  672.276   87.674  649.237  109.688  228.039   15.488  221.563   20.042 6.476501 25.32887 
1 1 1   -2  -24   11 o  261.740   12.355  873.390   80.756  926.130  102.949  789.030  130.204  267.564   15.474  242.845   21.699 24.71878 26.65131 
1 1 1   -2  -24   12 o  167.800   11.169  359.564   46.533  404.349   63.350  307.083   68.576  176.688   14.485  152.099   18.431 24.58870 23.44202 
1 1 1   -2  -24   13 o  214.298   15.714  599.315   83.508  571.188  138.448  615.400  104.697  199.770   28.566  214.527   19.766 -14.75682 34.73767 
1 1 1   -2  -24   14 o   39.845   15.060   15.628   20.510   68.649   39.933  -3.3701   23.903   70.549   21.061   34.027   14.864 36.52202 25.77777 
1 1 1   -2  -24   15 o  173.974   11.657  390.443   50.350  433.331   69.263  342.381   73.321  181.175   15.457  158.826   18.855 22.34912 24.38091 
1 1 1   -2  -24   16 o  141.887   12.299  262.591   43.147  302.644   62.245  225.545   59.862  149.649   16.955  127.483   19.417 22.16652 25.77834 
1 1 1   -2  -24   17 o   70.125   16.329   68.535   28.061   69.417   49.738   68.123   33.986   69.456   23.801   69.043   19.078 0.4131165 30.50373 
1 1 1   -2  -24   18 o  180.762   12.949  433.605   58.064  409.766   79.240  461.246   85.326  170.139   18.974  180.278   19.251 -10.13831 27.02981 
1 1 1   -2  -24   19 o  203.147   12.687  551.080   64.038  599.059   87.578  495.949   93.878  206.452   17.142  182.938   20.926 23.51442 27.05132 
1 1 1   -2  -24   20 o   88.725   18.062  116.192   38.659  186.501  118.470  107.812   40.898   89.686   35.550   84.064   19.808 5.622658 40.69595 
1 1 1   -2  -24   21 o  106.394   17.427  166.786   44.698  228.162  123.649  157.561   47.940   93.059   36.499  101.304   19.659 -8.244865 41.45670 
1 1 1   -2  -24   22 o  140.059   17.686  293.194   60.478  264.890  141.618  299.507   66.883   91.002   37.813  138.741   19.872 -47.73885 42.71724 
1 1 1   -2  -23    1 o  295.365   22.986  1138.58  168.206  1138.58  168.206   0.0000   0.0000  295.365   22.986  ?   ?  0.000000 22.98606 
1 1 1   -2  -23    2 o  299.951   23.090  1177.50  171.625   0.0000   0.0000  1177.50  171.625  ?   ?   299.951   23.090 0.000000 23.09036 
1 1 1   -2  -23    3 o  146.589   13.656  274.803   49.416  274.803   49.416   0.0000   0.0000  146.589   13.656  ?   ?  0.000000 13.65650 
1 1 1   -2  -23    4 f  310.707   13.451  1224.95  104.363  1219.03  129.128  1236.12  177.219  308.135   16.845  306.486   23.330 1.649597 28.77620 
1 1 1   -2  -23    5 o  115.467   11.010  169.846   31.361  145.707   41.558  201.776   47.797  105.578   16.287  124.774   15.687 -19.19663 22.61251 
1 1 1   -2  -23    6 o  152.163   13.484  296.451   50.707  292.529   84.094  298.692   63.563  147.520   23.625  151.626   17.085 -4.106354 29.15545 
1 1 1   -2  -23    7 o  236.249   11.728  706.766   69.192  715.294   87.168  692.240  113.767  236.244   14.851  230.002   20.007 6.241653 24.91649 
1 1 1   -2  -23    8 o  198.999   11.203  502.619   55.443  510.021   70.883  490.954   88.987  199.445   14.328  193.939   18.602 5.505447 23.48046 
1 1 1   -2  -23    9 o  275.567   12.567  964.831   86.481  994.808  108.520  912.664  143.159  278.071   15.692  262.577   22.037 15.49393 27.05285 
1 1 1   -2  -23   10 o   63.149   21.054   50.360   38.912   50.360   38.912   0.0000   0.0000   63.149   21.054  ?   ?  0.000000 21.05404 
1 1 1   -2  -23   11 o  162.977   11.285  338.349   45.644  354.257   60.917  317.986   68.921  165.592   14.891  155.584   18.076 10.00815 23.41983 
1 1 1   -2  -23   12 o   83.527   13.415   91.216   27.034   85.258   41.181   95.727   35.837   79.026   20.642   84.449   17.566 -5.423912 27.10439 
1 1 1   -2  -23   13 o   71.965   14.690   68.848   25.505   69.114   41.363   68.685   32.398   71.506   21.455   71.218   18.161 0.2884750 28.10888 
1 1 1   -2  -23   14 o  116.570   14.981  177.975   42.599  293.151  101.650  153.438   46.918  142.159   29.596  106.923   18.226 35.23630 34.75778 
1 1 1   -2  -23   15 o  292.940   13.760  1105.84  100.659  1116.36  127.852  1088.68  163.259  290.957   17.680  281.784   23.413 9.173279 29.33894 
1 1 1   -2  -23   16 f  181.414   11.531  423.105   51.967  499.420   72.065  340.430   75.008  195.337   14.886  158.542   19.347 36.79570 24.41097 
1 1 1   -2  -23   17 o  201.582   11.699  524.830   58.638  605.395   79.878  430.676   86.353  214.289   15.022  177.095   19.869 37.19408 24.90861 
1 1 1   -2  -23   18 o   78.406   25.411   91.561   56.835   91.561   56.835   0.0000   0.0000   78.406   25.411  ?   ?  0.000000 25.41063 
1 1 1   -2  -23   19 o  188.193   12.207  464.939   57.057  519.929   78.843  404.474   82.674  195.406   16.306  168.773   20.006 26.63293 25.80936 
1 1 1   -2  -23   20 o  190.806   13.080  485.896   61.949  479.721   84.852  492.944   90.654  183.530   18.779  184.594   19.985 -1.063477 27.42354 
1 1 1   -2  -23   21 o  257.309   13.499  895.480   86.432  968.341  113.855  796.376  132.785  260.766   17.587  225.007   24.003 35.75806 29.75615 
1 1 1   -2  -23   22 o   68.896   18.713   72.325   33.029   61.126  120.044   73.242   34.355   68.294   31.267   69.031   19.220 -0.7372818 36.70231 
1 1 1   -2  -23   23 o  141.477   17.337  294.777   59.968  280.319  140.174  298.016   66.346   96.446   38.530  139.485   19.587 -43.03860 43.22268 
1 1 1   -2  -23   24 o   42.772   16.756   21.836   26.037  157.777  130.199   16.173   26.574   75.372   33.713   40.609   16.575 34.76381 37.56739 
1 1 1   -2  -22    1 o  361.266   26.162  1706.22  234.418   0.0000   0.0000  1706.22  234.418  ?   ?   361.266   26.162 0.000000 26.16158 
1 1 1   -2  -22    2 f  343.905   25.455  1548.43  217.054  1548.43  217.054   0.0000   0.0000  343.905   25.455  ?   ?  0.000000 25.45507 
1 1 1   -2  -22    3 o  193.377   11.174  472.699   53.727  447.603   67.500  516.085   88.751  187.355   14.541  200.216   17.941 -12.86096 23.09425 
1 1 1   -2  -22    4 o   96.807   10.150  119.223   24.172  149.660   33.073   84.323   35.415  108.130   12.477   79.623   18.207 28.50729 22.07234 
1 1 1   -2  -22    5 o   36.745   13.019   14.880   14.953   2.9294   23.145   23.442   19.590   36.184   15.180   44.330   14.939 -8.145493 21.29808 
1 1 1   -2  -22    6 o  181.892   10.731  418.721   48.528  425.153   62.131  408.658   77.711  182.516   13.732  177.635   17.757 4.881271 22.44726 
1 1 1   -2  -22    7 o  179.404   12.946  410.172   57.609  523.296   96.385  347.298   71.857  200.343   19.513  163.467   17.895 36.87657 26.47663 
1 1 1   -2  -22    8 o  197.392   11.347  494.189   55.696  470.021   71.157  532.414   89.488  191.372   15.010  202.642   17.867 -11.27046 23.33526 
1 1 1   -2  -22    9 o  214.895   11.732  586.376   62.721  579.835   79.786  596.957  101.476  212.523   15.133  213.896   19.203 -1.373764 24.44867 
1 1 1   -2  -22   10 o   70.189   13.577   64.741   22.936   55.581   35.033   71.613   30.343   65.056   19.796   73.226   16.932 -8.170624 26.04916 
1 1 1   -2  -22   11 o  168.384   19.159  372.516   79.128  372.516   79.128   0.0000   0.0000  168.384   19.159  ?   ?  0.000000 19.15939 
1 1 1   -2  -22   12 o   44.693   14.760   24.527   19.140   21.531   33.625   25.964   23.280   49.347   19.122   46.998   16.274 2.348297 25.10947 
1 1 1   -2  -22   13 o  131.872   11.512  222.260   37.530  233.509   52.984  210.933   53.169  133.736   16.195  126.642   17.262 7.093460 23.66997 
1 1 1   -2  -22   14 o  241.213   12.733  743.830   76.429  735.452   98.310  756.631  121.512  237.895   16.654  238.900   20.569 -1.004288 26.46545 
1 1 1   -2  -22   15 o  224.799   12.044  645.657   67.363  687.058   88.555  588.802  103.776  230.226   15.493  210.498   19.982 19.72768 25.28463 
1 1 1   -2  -22   16 o  187.121   13.362  451.529   62.028  364.265   83.367  559.743   92.836  164.286   20.786  205.724   18.261 -41.43808 27.66780 
1 1 1   -2  -22   17 o  204.098   11.700  534.480   59.381  620.713   80.861  433.541   87.485  218.198   14.930  179.238   19.881 38.95985 24.86249 
1 1 1   -2  -22   18 o   54.945   16.279   40.586   23.924   77.869   46.321   27.022   27.940   74.297   22.793   48.610   17.723 25.68728 28.87216 
1 1 1   -2  -22   19 o  146.934   23.317  310.370   82.697  310.370   82.697   0.0000   0.0000  146.934   23.317  ?   ?  0.000000 23.31685 
1 1 1   -2  -22   20 o  200.227   12.481  525.379   62.097  588.432   86.101  457.032   89.642  208.153   16.705  179.930   20.306 28.22285 26.29431 
1 1 1   -2  -22   21 o  108.442   14.038  159.014   37.122  154.204   59.817  162.026   47.340   99.644   24.265  106.691   18.435 -7.046341 30.47423 
1 1 1   -2  -22   22 o   37.686   15.024   12.469   21.272   2.8243   49.427   14.661   23.566   47.513   21.040   39.845   15.836 7.668053 26.33372 
1 1 1   -2  -22   23 o   59.262   18.594   52.287   30.631 -59.5803  118.267   60.331   31.713   56.691   27.413   63.295   18.740 -6.604099 33.20607 
1 1 1   -2  -22   24 o   61.075   18.995   57.293   32.046 -51.4546  123.438   65.152   33.183   56.816   27.598   64.858   19.160 -8.042465 33.59742 
1 1 1   -2  -22   25 o  171.794   17.284  436.914   73.143  501.774  158.111  419.254   82.501  129.324   42.408  162.964   20.743 -33.64001 47.20924 
1 1 1   -2  -21    1 o  394.728   15.856  1969.33  156.298  1840.69  191.989  2222.14  269.143  379.632   20.326  414.260   26.151 -34.62817 33.12131 
1 1 1   -2  -21    2 o  124.436   9.7648  195.508   30.099  216.946   39.345  165.258   46.737  130.737   12.192  112.946   17.106 17.79128 21.00633 
1 1 1   -2  -21    3 o  130.887   10.361  216.594   33.588  205.707   43.565  232.551   52.742  126.875   13.982  134.542   16.013 -7.667213 21.25816 
1 1 1   -2  -21    4 o   50.862   17.640   29.842   27.358   29.842   27.358   0.0000   0.0000   50.862   17.640  ?   ?  0.000000 17.63993 
1 1 1   -2  -21    5 o  224.075   11.462  634.455   63.924  630.720   80.149  640.984  105.968  222.624   14.496  222.865   19.229 -0.2409058 24.08095 
1 1 1   -2  -21    6 o  421.063   16.235  2259.24  170.710  2325.92  210.342  2130.55  292.195  425.140   19.813  398.839   29.548 26.30188 35.57547 
1 1 1   -2  -21    7 o  250.859   12.081  795.318   75.679  781.698   94.709  819.374  125.873  247.322   15.411  251.183   20.239 -3.860977 25.43882 
1 1 1   -2  -21    8 o  324.685   14.044  1339.19  113.867  1332.29  141.285  1351.99  192.343  321.814   17.648  320.083   24.244 1.731110 29.98687 
1 1 1   -2  -21    9 o  323.688   14.052  1332.24  113.587  1303.34  140.950  1385.77  191.836  317.964   17.823  323.918   23.885 -5.953339 29.80188 
1 1 1   -2  -21   10 o  245.053   12.037  760.391   73.660  759.674   92.942  761.602  120.787  243.422   15.369  241.462   20.218 1.960251 25.39613 
1 1 1   -2  -21   11 o  187.216   11.351  444.928   52.817  436.197   68.442  457.784   83.049  184.240   15.006  187.656   17.941 -3.416473 23.38957 
1 1 1   -2  -21   12 o   34.963   13.363   10.832   16.263   16.723   29.752   8.3215   19.421   45.640   17.903   35.804   14.328 9.836468 22.93023 
1 1 1   -2  -21   13 o   47.487   19.418   12.360   36.558   12.360   36.558   0.0000   0.0000   47.487   19.418  ?   ?  0.000000 19.41792 
1 1 1   -2  -21   14 o  274.299   12.851  957.577   88.024  967.919  111.822  940.728  142.727  273.690   16.437  266.560   21.628 7.129120 27.16562 
1 1 1   -2  -21   15 o  192.911   11.434  473.779   54.836  519.812   73.508  416.019   82.341  200.839   14.760  177.797   18.832 23.04213 23.92723 
1 1 1   -2  -21   16 o  112.801   12.762  164.245   35.317  142.912   52.456  181.932   47.764  102.299   21.229  117.485   16.755 -15.18616 27.04454 
1 1 1   -2  -21   17 o  147.533   14.814  283.049   53.841  368.069  118.494  260.930   60.440  159.028   30.952  140.445   17.621 18.58290 35.61636 
1 1 1   -2  -21   18 o   86.307   13.339   97.785   27.823  195.629   49.190   51.758   33.738  121.425   16.662   62.338   19.507 59.08683 25.65391 
1 1 1   -2  -21   19 o   75.666   15.218   77.072   27.758   87.666   48.960   72.054   33.697   78.679   23.282   72.234   18.576 6.444778 29.78488 
1 1 1   -2  -21   20 o  149.330   12.740  290.725   47.054  285.697   68.423  295.236   64.813  144.094   19.518  147.523   17.964 -3.428802 26.52670 
1 1 1   -2  -21   21 o   83.760   16.011   96.298   32.268  160.864   59.294   69.131   38.462  104.379   23.334   69.476   20.653 34.90311 31.16140 
1 1 1   -2  -21   22 o  221.467   12.516  645.681   68.938  740.020   94.667  539.171  100.588  232.959   16.377  193.373   21.177 39.58560 26.77063 
1 1 1   -2  -21   23 o  113.586   14.043  175.439   38.983  197.644   65.399  163.201   48.550  112.531   24.005  106.065   19.030 6.465897 30.63268 
1 1 1   -2  -21   24 f   80.796   18.675   97.174   36.925  179.847  140.743   91.063   38.266   87.296   37.070   77.444   19.731 9.852570 41.99421 
1 1 1   -2  -21   25 o  225.380   18.650  749.735  104.020  678.429  185.123  782.636  125.748  159.518   44.688  221.676   23.053 -62.15834 50.28405 
1 1 1   -2  -21   26 o   74.808   18.799   86.740   35.076  844.824  154.744   45.680   36.014  211.517   30.150   55.271   20.126 156.2467 36.25008 
1 1 1   -2  -20    1 f  192.789   10.374  467.313   49.760  492.775   62.889  424.682   81.374  197.637   12.812  182.426   18.102 15.21062 22.17671 
1 1 1   -2  -20    2 o  296.526   12.612  1105.24   93.388  1115.86  115.545  1085.22  158.593  297.018   15.633  291.082   21.980 5.936646 26.97276 
1 1 1   -2  -20    3 o  135.855   10.130  232.826   34.119  229.632   44.164  237.556   53.737  134.410   13.334  136.191   16.113 -1.781799 20.91445 
1 1 1   -2  -20    4 o  128.471   10.415  208.593   33.124  202.480   43.213  217.303   51.578  125.949   13.975  130.059   16.234 -4.109703 21.42093 
1 1 1   -2  -20    5 o  205.147   19.008  540.911   96.269  540.911   96.269   0.0000   0.0000  205.147   19.008  ?   ?  0.000000 19.00792 
1 1 1   -2  -20    6 o  339.163   14.030  1454.78  118.828  1469.34  146.853  1427.15  202.232  339.284   17.391  330.758   24.662 8.526520 30.17698 
1 1 1   -2  -20    7 f  116.440   10.571  172.017   30.402  171.457   40.798  172.716   45.590  115.456   14.468  115.452   16.264 0.4219055E-02 21.76788 
1 1 1   -2  -20    8 o  265.224   12.440  888.937   82.389  883.347  102.831  898.958  137.686  263.008   15.729  263.006   21.143 0.1739502E-02 26.35163 
1 1 1   -2  -20    9 o  163.447   10.666  338.119   43.295  338.548   56.218  337.493   67.873  162.774   13.966  161.618   17.076 1.156097 22.05956 
1 1 1   -2  -20   10 o  259.961   15.400  864.304   99.525  875.666  149.794  855.325  133.169  257.670   23.540  256.018   21.015 1.652588 31.55549 
1 1 1   -2  -20   11 o  405.681   15.336  2099.89  155.364  2230.55  192.369  1854.78  263.471  416.078   18.514  370.624   28.691 45.45447 34.14613 
1 1 1   -2  -20   12 o  263.980   12.145  882.608   80.059  921.051  101.103  817.976  131.093  268.213   15.157  249.744   21.221 18.46828 26.07818 
1 1 1   -2  -20   13 o  134.768   11.143  231.140   37.165  239.568   51.243  221.787   53.982  136.101   15.345  130.385   16.983 5.715240 22.88850 
1 1 1   -2  -20   14 o  507.698   37.790  3716.73  475.681  3716.73  475.681   0.0000   0.0000  507.698   37.790  ?   ?  0.000000 37.79039 
1 1 1   -2  -20   15 o  138.611   11.702  245.205   40.128  251.696   56.244  238.475   57.269  138.991   16.529  134.943   17.400 4.048248 23.99920 
1 1 1   -2  -20   16 o   59.610   15.301   47.300   22.891   57.300   40.705   42.675   27.684   66.488   21.500   57.286   17.628 9.201401 27.80297 
1 1 1   -2  -20   17 o  270.988   12.694  935.619   85.901  998.589  110.764  840.591  136.069  277.896   16.029  251.156   21.915 26.74017 27.15130 
1 1 1   -2  -20   18 f  287.060   15.952  1068.12  113.898  1298.75  183.965  924.764  145.040  309.693   23.975  262.455   22.343 47.23779 32.77166 
1 1 1   -2  -20   19 o  218.103   12.822  611.143   69.526  596.450   92.409  630.310  105.544  212.883   17.539  217.486   19.646 -4.603119 26.33571 
1 1 1   -2  -20   20 o  192.252   11.855  474.937   56.638  551.401   79.407  395.753   80.807  205.128   15.619  171.529   19.194 33.59863 24.74630 
1 1 1   -2  -20   21 o   89.415   14.301  106.461   30.856  127.967   54.464   96.295   37.445   94.157   23.292   83.367   18.472 10.79006 29.72806 
1 1 1   -2  -20   22 o   82.999   26.455  103.816   61.800  103.816   61.800   0.0000   0.0000   82.999   26.455  ?   ?  0.000000 26.45532 
1 1 1   -2  -20   23 o   65.179   16.483   59.577   26.845   52.204   52.961   62.127   31.142   63.535   24.155   66.061   18.266 -2.526394 30.28353 
1 1 1   -2  -20   24 o   89.080   14.451  108.756   31.044  188.965   59.479   78.726   36.394  112.249   22.006   73.059   19.560 39.18987 29.44214 
1 1 1   -2  -20   25 o   58.455   18.658   49.781   30.732   0.0000   0.0000   49.781   30.732  ?   ?    58.455   18.658 0.000000 18.65844 
1 1 1   -2  -20   26 o   63.689   30.763 -24.4337  147.919 -24.4337  147.919   0.0000   0.0000   63.689   30.763  ?   ?  0.000000 30.76300 
1 1 1   -2  -20   27 o  101.680   18.671  156.021   45.660  152.708  158.702  156.320   47.676   77.528   35.662  100.866   19.634 -23.33868 40.71015 
1 1 1   -2  -20   28 o   65.178   19.449   68.009   34.059   85.042  146.748   67.039   35.015   67.831   32.181   64.480   19.823 3.351395 37.79609 
1 1 1   -2  -19    1 o  468.728   17.830  2769.35  208.701  2723.77  256.189  2859.29  359.846  463.675   22.126  470.990   30.764 -7.315552 37.89439 
1 1 1   -2  -19    2 f  471.044   20.298  2808.18  238.766  3268.48  341.314  2367.05  334.132  504.828   27.175  427.384   31.530 77.44421 41.62466 
1 1 1   -2  -19    3 f  246.556   12.001  763.043   73.889  717.393   91.730  847.389  124.687  238.155   15.509  258.009   19.496 -19.85422 24.91247 
1 1 1   -2  -19    4 o  370.327   15.275  1728.84  141.259  1670.06  173.917  1842.78  242.150  362.465   19.284  378.208   25.793 -15.74326 32.20468 
1 1 1   -2  -19    5 o  114.106   11.031  164.987   31.039  133.776   40.669  208.535   48.039  101.593   16.604  127.645   15.381 -26.05154 22.63312 
1 1 1   -2  -19    6 o  304.279   12.892  1166.12   97.959  1191.78  121.397  1118.23  165.848  306.518   15.915  294.485   22.729 12.03366 27.74639 
1 1 1   -2  -19    7 o  144.688   12.032  265.401   43.078  252.722   62.415  276.934   59.530  139.766   18.325  146.866   16.518 -7.100082 24.67073 
1 1 1   -2  -19    8 o  154.307   10.137  300.584   38.843  323.149   50.721  268.581   60.405  159.508   12.843  144.328   17.092 15.17976 21.37894 
1 1 1   -2  -19    9 o  187.360   10.517  443.194   49.007  481.618   62.928  383.972   78.124  194.782   13.012  172.332   18.440 22.44962 22.56877 
1 1 1   -2  -19   10 o  299.052   11.884  1129.11   88.747  1262.20  111.232  895.986  147.210  315.471   14.120  261.714   22.751 53.75684 26.77638 
1 1 1   -2  -19   11 o  291.162   15.363  1082.32  111.309  1225.37  166.518  966.773  149.657  306.463   21.903  271.868   22.239 34.59415 31.21367 
1 1 1   -2  -19   12 o  104.891   10.702  140.165   27.638  181.916   39.894  101.631   38.326  118.977   13.676   87.431   18.148 31.54557 22.72435 
1 1 1   -2  -19   13 o   58.152   14.373   44.710   20.752   40.966   33.573   47.026   26.400   57.934   19.556   59.766   16.923 -1.831554 25.86159 
1 1 1   -2  -19   14 o  382.766   14.509  1866.91  138.679  2020.10  172.750  1589.24  232.574  396.380   17.452  343.604   27.331 52.77567 32.42794 
1 1 1   -2  -19   15 o  140.962   17.156  258.902   59.144  258.902   59.144   0.0000   0.0000  140.962   17.156  ?   ?  0.000000 17.15571 
1 1 1   -2  -19   16 o  401.323   16.011  2066.05  160.462  2121.25  199.702  1965.49  269.553  403.806   19.804  379.669   28.642 24.13715 34.82169 
1 1 1   -2  -19   17 o  214.047   11.912  582.946   63.419  614.675   83.951  540.769   96.790  218.426   15.492  203.066   19.320 15.35979 24.76393 
1 1 1   -2  -19   18 o  176.013   12.230  395.597   53.423  382.388   72.850  410.965   78.577  171.165   17.280  177.179   18.010 -6.013107 24.95930 
1 1 1   -2  -19   19 o  111.271   13.178  160.162   35.905  140.165   55.238  174.791   47.247  100.881   22.500  115.076   16.949 -14.19453 28.16917 
1 1 1   -2  -19   20 o  276.485   15.332  990.322  105.439  1343.73  178.265  800.156  130.766  315.542   22.776  244.048   21.683 71.49390 31.44695 
1 1 1   -2  -19   21 o  150.592   11.636  291.319   43.419  378.629   65.619  223.320   57.909  169.990   15.633  128.930   18.518 41.05983 24.23458 
1 1 1   -2  -19   22 o  115.448   13.155  174.254   37.249  181.139   59.681  169.860   47.675  113.590   21.833  112.044   17.621 1.546577 28.05688 
1 1 1   -2  -19   23 o   52.604   22.433   11.502   51.937   11.502   51.937   0.0000   0.0000   52.604   22.433  ?   ?  0.000000 22.43295 
1 1 1   -2  -19   24 f  111.465   13.503  165.375   36.819  217.827   63.227  138.461   45.291  122.987   21.362   98.954   19.019 24.03367 28.60202 
1 1 1   -2  -19   25 o  148.539   13.176  294.107   48.366  331.260   75.372  268.099   63.062  151.373   20.464  137.397   18.879 13.97610 27.84190 
1 1 1   -2  -19   26 o  212.990   13.061  607.874   69.135  694.952   98.139  522.088   97.409  221.341   17.909  187.384   21.189 33.95711 27.74361 
1 1 1   -2  -19   27 o  108.886   17.222  170.889   45.271  244.613  144.985  162.925   47.654   96.333   38.937  104.906   18.885 -8.572853 43.27481 
1 1 1   -2  -19   28 o  120.375   18.191  214.451   52.975  123.157  152.951  226.896   56.470   75.724   34.899  123.030   18.992 -47.30589 39.73168 
1 1 1   -2  -19   29 f  165.949   18.359  414.783   74.806  499.228  203.813  401.636   80.418  105.568   44.707  159.897   20.621 -54.32832 49.23350 
1 1 1   -2  -18    1 o  270.546   11.601  916.822   78.379  983.944   97.180  791.899  132.576  280.081   13.895  249.586   21.481 30.49460 25.58266 
1 1 1   -2  -18    2 o  301.727   12.857  1141.61   96.870  1140.90  119.659  1142.96  165.011  300.866   15.984  299.845   22.195 1.020569 27.35177 
1 1 1   -2  -18    3 o  353.053   17.306  1569.83  152.579  1650.06  219.359  1494.63  212.368  359.603   24.575  342.028   25.038 17.57541 35.08341 
1 1 1   -2  -18    4 o  427.233   16.187  2298.37  172.691  2361.89  212.475  2174.76  296.416  432.226   19.686  410.812   29.082 21.41376 35.11805 
1 1 1   -2  -18    5 o   94.085   10.932  112.485   25.206   90.821   34.052  138.743   37.490   83.380   16.932  103.970   14.862 -20.59006 22.53001 
1 1 1   -2  -18    6 o  342.228   13.725  1473.74  117.291  1520.60  144.959  1384.91  199.602  346.974   16.730  328.133   24.537 18.84076 29.69761 
1 1 1   -2  -18    7 o  121.800   10.926  187.744   32.877  154.186   43.381  233.032   50.396  109.271   16.404  135.056   15.207 -25.78474 22.36891 
1 1 1   -2  -18    8 o  140.368   17.539  253.751   60.136  253.751   60.136   0.0000   0.0000  140.368   17.539  ?   ?  0.000000 17.53884 
1 1 1   -2  -18    9 o  406.198   15.557  2090.46  157.805  2146.00  194.716  1984.16  269.369  410.092   19.014  388.657   27.941 21.43582 33.79661 
1 1 1   -2  -18   10 o  176.746   10.341  394.199   45.445  429.251   59.024  343.171   71.216  183.934   12.933  163.143   17.768 20.79132 21.97629 
1 1 1   -2  -18   11 o  139.470   10.198  246.033   35.270  277.928   47.391  206.433   52.806  147.723   12.979  126.110   17.218 21.61294 21.56163 
1 1 1   -2  -18   12 o  322.365   13.627  1316.84  109.699  1336.09  136.444  1281.66  184.478  322.994   16.976  312.578   23.813 10.41666 29.24457 
1 1 1   -2  -18   13 f   97.488   14.206  123.087   33.567  183.266   78.215  109.501   37.164  115.348   27.535   91.173   16.947 24.17436 32.33227 
1 1 1   -2  -18   14 o  342.273   13.120  1485.31  112.140  1637.55  140.425  1217.34  186.312  358.211   15.698  303.131   24.831 55.08054 29.37682 
1 1 1   -2  -18   15 o  124.330   11.261  196.844   34.584  217.119   49.080  176.849   48.741  129.562   15.476  116.225   17.323 13.33722 23.22886 
1 1 1   -2  -18   16 o  152.413   11.736  295.613   44.323  288.160   60.435  304.287   65.200  149.107   16.508  152.974   17.376 -3.867416 23.96730 
1 1 1   -2  -18   17 o  256.978   22.435  872.551  142.528  872.551  142.528   0.0000   0.0000  256.978   22.435  ?   ?  0.000000 22.43516 
1 1 1   -2  -18   18 o  138.247   12.269  244.336   41.917  217.799   59.348  270.753   59.213  128.330   19.102  144.199   16.756 -15.86876 25.40950 
1 1 1   -2  -18   19 o  142.751   12.664  261.071   44.676  216.751   63.209  305.315   63.155  127.290   20.588  153.068   16.798 -25.77762 26.57171 
1 1 1   -2  -18   20 o  120.132   12.172  185.310   36.010  240.416   56.903  148.498   46.508  135.298   17.233  105.521   18.314 29.77729 25.14713 
1 1 1   -2  -18   21 o  155.195   15.396  313.455   58.880  341.550  128.818  306.035   66.200  150.654   34.922  152.339   17.734 -1.685135 39.16658 
1 1 1   -2  -18   22 o  120.541   12.784  188.142   37.894  212.452   60.482  172.433   48.619  125.173   20.024  113.509   17.733 11.66399 26.74731 
1 1 1   -2  -18   23 o   52.069   16.216   35.663   23.346   39.613   50.182   34.571   26.373   60.804   23.416   52.059   17.332 8.745361 29.13302 
1 1 1   -2  -18   24 o   92.266   18.201  117.659   40.446   0.0000   0.0000  117.659   40.446  ?   ?    92.266   18.201 0.000000 18.20081 
1 1 1   -2  -18   25 o  199.473   24.326  583.131  118.662  583.131  118.662   0.0000   0.0000  199.473   24.326  ?   ?  0.000000 24.32579 
1 1 1   -2  -18   26 o  140.326   13.509  262.849   46.754  269.288   73.801  258.532   60.427  134.650   22.760  135.662   18.304 -1.012054 29.20705 
1 1 1   -2  -18   27 o   85.927   15.947  103.738   32.959  107.326   64.069  102.447   38.435   80.295   27.016   83.615   18.857 -3.320068 32.94622 
1 1 1   -2  -18   28 o   40.879   16.026   17.079   23.830   34.890  136.490   16.519   24.202   69.007   32.199   40.793   16.100 28.21386 36.00004 
1 1 1   -2  -18   29 o  152.827   16.960  336.081   63.633  435.872  163.351  318.230   69.090  123.106   43.081  145.777   19.465 -22.67036 47.27423 
1 1 1   -2  -18   30 o  143.971   17.292  305.144   60.926  442.250  169.577  284.823   65.285  113.816   43.234  136.029   19.800 -22.21245 47.55260 
1 1 1   -2  -17    1 o  341.331   14.213  1460.50  121.144  1377.98  148.912  1621.99  208.321  330.656   18.103  357.745   23.449 -27.08951 29.62372 
1 1 1   -2  -17    2 o  612.314   22.371  4730.85  342.065  4712.67  419.396  4766.97  591.197  609.489   27.556  606.960   39.215 2.528259 47.92811 
1 1 1   -2  -17    3 o  273.625   12.287  938.081   83.953  918.308  103.938  975.195  142.398  270.016   15.479  277.354   20.709 -7.338135 25.85489 
1 1 1   -2  -17    4 o  277.516   12.145  965.231   84.166  987.226  104.366  924.319  142.340  279.993   14.981  269.709   21.307 10.28354 26.04679 
1 1 1   -2  -17    5 o  609.125   26.945  4729.50  409.860  5024.84  582.422  4439.76  576.877  620.771   37.750  581.912   39.940 38.85907 54.95752 
1 1 1   -2  -17    6 o  312.202   12.915  1223.62  100.687  1261.50  124.705  1152.68  170.656  316.577   15.774  300.448   22.919 16.12857 27.82264 
1 1 1   -2  -17    7 o  471.628   17.883  2810.27  210.618  2811.25  258.881  2808.34  362.219  470.280   22.044  464.889   31.385 5.390839 38.35312 
1 1 1   -2  -17    8 o  157.242   10.385  311.464   40.546  300.092   52.448  328.357   63.923  153.805   13.802  160.493   16.170 -6.687347 21.25953 
1 1 1   -2  -17    9 o  139.743   17.659  251.274   60.248  251.274   60.248   0.0000   0.0000  139.743   17.659  ?   ?  0.000000 17.65903 
1 1 1   -2  -17   10 o  167.485   10.536  353.792   43.841  364.867   56.820  337.500   68.918  169.553   13.533  162.186   17.283 7.367493 21.95041 
1 1 1   -2  -17   11 o  117.473   10.698  174.958   31.038  180.302   42.149  168.628   45.876  118.524   14.546  114.096   16.587 4.428192 22.06157 
1 1 1   -2  -17   12 o  163.005   10.804  335.918   43.731  334.690   57.082  337.662   68.039  161.969   14.258  161.951   17.082 0.1733398E-01 22.25038 
1 1 1   -2  -17   13 o  232.517   11.241  681.569   65.271  724.964   83.030  611.370  105.603  238.790   13.985  217.275   19.677 21.51546 24.14027 
1 1 1   -2  -17   14 o  205.208   14.536  537.372   74.005  522.794  118.087  546.801   94.968  198.634   24.314  205.583   18.703 -6.948868 30.67561 
1 1 1   -2  -17   15 o   82.343   12.239   87.543   24.400  101.661   37.274   76.956   32.277   87.593   17.651   76.070   17.373 11.52298 24.76610 
1 1 1   -2  -17   16 o  160.184   11.251  325.580   44.718  332.910   60.554  316.787   66.320  160.927   15.250  156.312   17.279 4.614777 23.04642 
1 1 1   -2  -17   17 o  447.113   16.754  2562.20  187.061  2701.14  232.006  2304.06  316.228  456.276   20.362  410.401   31.087 45.87448 37.16189 
1 1 1   -2  -17   18 o  567.089   42.479  4743.21  597.191  4743.21  597.191   0.0000   0.0000  567.089   42.479  ?   ?  0.000000 42.47940 
1 1 1   -2  -17   19 o   41.168   14.711   18.648   19.132   28.699   39.235   15.512   21.914   54.570   20.780   40.922   15.543 13.64864 25.94965 
1 1 1   -2  -17   20 o  289.352   13.115  1065.40   94.765  1129.64  121.774  966.746  150.897  295.891   16.547  269.908   22.596 25.98355 28.00661 
1 1 1   -2  -17   21 o  143.701   12.060  264.089   42.878  295.783   63.735  237.884   57.953  150.351   17.290  134.502   17.683 15.84937 24.73132 
1 1 1   -2  -17   22 o  262.221   15.044  887.291   98.099  1258.64  172.165  708.760  119.373  306.422   22.660  230.761   20.944 75.66049 30.85649 
1 1 1   -2  -17   23 o  219.586   12.010  617.240   65.607  724.103   91.011  501.628   94.663  235.983   15.531  193.774   19.843 42.20840 25.19809 
1 1 1   -2  -17   24 o   17.946   8.7986 -26.3041   13.410   1.9085   49.078 -28.5803   13.941   49.771   21.523   18.038   8.8693 31.73304 23.27856 
1 1 1   -2  -17   25 o  168.510   11.969  367.524   50.036  486.591   76.206  277.294   66.339  191.397   16.094  142.363   19.146 49.03354 25.01139 
1 1 1   -2  -17   26 o   69.631   26.322   64.103   62.665   64.103   62.665   0.0000   0.0000   69.631   26.322  ?   ?  0.000000 26.32210 
1 1 1   -2  -17   27 o  104.538   14.343  147.621   36.455  165.997   65.786  139.477   43.795  103.094   25.656   99.298   18.337 3.795731 31.53547 
1 1 1   -2  -17   28 o   33.258   13.943   4.7065   19.502 -28.2856   58.442   8.8408   20.688   45.570   21.198   35.841   14.626 9.729092 25.75443 
1 1 1   -2  -17   29 o  144.570   16.659  294.738   59.043  375.845  156.961  281.370   63.723  121.008   42.236  139.117   18.826 -18.10912 46.24205 
1 1 1   -2  -17   30 o   54.675   18.229   43.395   29.170 -83.4454  151.005   48.312   29.730   60.098   29.477   57.192   18.362 2.906181 34.72853 
1 1 1   -2  -17   31 o   54.755   18.516   44.692   30.096 -160.8960  156.760   52.560   30.667   54.936   27.467   58.679   18.629 -3.743877 33.18818 
1 1 1   -2  -17   32 o  108.477   18.647  181.509   48.692  240.006  175.168  176.611   50.689   79.761   36.965  105.528   19.967 -25.76686 42.01256 
1 1 1   -2  -16    1 o  107.612   16.308  148.508   42.452  148.508   42.452   0.0000   0.0000  107.612   16.308  ?   ?  0.000000 16.30840 
1 1 1   -2  -16    2 o  325.816   13.518  1329.88  109.985  1321.74  135.415  1345.66  188.536  324.097   16.789  325.865   23.323 -1.768524 28.73757 
1 1 1   -2  -16    3 o  521.782   18.235  3421.25  237.596  3668.65  291.917  2935.70  408.954  539.610   21.664  478.270   34.472 61.34024 40.71435 
1 1 1   -2  -16    4 o  176.782   10.378  392.425   45.614  396.275   57.521  385.902   74.871  177.357   13.080  174.400   17.425 2.956635 21.78774 
1 1 1   -2  -16    5 f  391.926   14.941  1927.74  146.232  2020.22  180.112  1748.89  250.480  400.756   17.997  370.151   27.291 30.60471 32.69101 
1 1 1   -2  -16    6 o  184.175   14.244  428.257   65.002  326.118   97.918  508.732   86.916  158.359   25.637  200.307   17.553 -41.94804 31.07067 
1 1 1   -2  -16    7 o  389.055   14.698  1901.94  142.797  2007.27  176.127  1699.87  243.941  399.122   17.671  364.147   27.019 34.97592 32.28456 
1 1 1   -2  -16    8 o  182.456   10.283  418.453   46.663  434.000   59.497  393.604   75.216  185.474   12.927  175.832   17.357 9.642426 21.64148 
1 1 1   -2  -16    9 o  266.222   12.222  890.062   81.251  898.730  101.221  874.360  136.240  266.662   15.264  261.589   21.034 5.072540 25.98882 
1 1 1   -2  -16   10 o  264.439   12.140  878.885   80.164  869.251   99.952  896.256  134.214  262.039   15.342  264.701   20.463 -2.661621 25.57569 
1 1 1   -2  -16   11 o   95.784   18.682  120.456   43.082  120.456   43.082   0.0000   0.0000   95.784   18.682  ?   ?  0.000000 18.68241 
1 1 1   -2  -16   12 o  245.749   11.671  760.152   71.623  786.031   90.202  715.997  117.824  248.930   14.574  235.826   20.203 13.10446 24.91087 
1 1 1   -2  -16   13 o  157.147   10.892  312.232   42.478  296.584   55.518  334.329   65.973  152.331   14.781  161.352   16.611 -9.020706 22.23481 
1 1 1   -2  -16   14 o  175.308   10.918  388.529   47.559  389.938   61.873  386.496   74.348  174.861   14.295  173.211   17.425 1.649841 22.53830 
1 1 1   -2  -16   15 o  177.525   13.520  401.339   59.487  462.018  101.518  369.608   73.411  187.670   22.085  169.154   17.639 18.51619 28.26396 
1 1 1   -2  -16   16 o  236.406   11.579  705.587   68.359  736.099   87.253  657.095  109.997  240.262   14.612  224.995   19.778 15.26709 24.59065 
1 1 1   -2  -16   17 o  241.472   11.639  736.662   70.184  785.957   90.197  661.008  111.738  248.178   14.618  225.358   20.065 22.81975 24.82569 
1 1 1   -2  -16   18 o  304.789   13.771  1179.97  104.817  1165.30  131.954  1205.05  172.549  300.782   17.645  302.699   22.999 -1.917053 28.98804 
1 1 1   -2  -16   19 o  215.807   12.518  592.077   67.173  562.356   87.431  634.898  104.945  208.766   16.916  220.895   19.216 -12.12903 25.60132 
1 1 1   -2  -16   20 o   54.204   16.028   38.261   23.211 -18.3481   42.051   63.065   27.835   42.187   18.992   68.807   16.427 -26.62006 25.11036 
1 1 1   -2  -16   21 o   62.400   15.455   51.784   23.957   60.570   44.202   48.130   28.507   68.624   22.419   60.467   17.729 8.156551 28.58191 
1 1 1   -2  -16   22 o   27.239   12.078  -5.3738   16.339 -69.0520   43.900   4.8654   17.604   34.330   16.625   32.770   13.446 1.559414 21.38148 
1 1 1   -2  -16   23 o  192.874   18.794  489.610   89.371   0.0000   0.0000  489.610   89.371  ?   ?   192.874   18.794 0.000000 18.79434 
1 1 1   -2  -16   24 o  171.422   35.976  447.397  149.096  447.397  149.096   0.0000   0.0000  171.422   35.976  ?   ?  0.000000 35.97648 
1 1 1   -2  -16   25 o   55.125   16.543   40.411   24.590   19.113   53.171   46.206   27.734   55.988   23.209   58.716   17.557 -2.728775 29.10179 
1 1 1   -2  -16   26 o  110.245   13.501  159.752   36.393  186.683   62.467  145.914   44.777  114.626   22.626  103.350   18.004 11.27615 28.91534 
1 1 1   -2  -16   27 o   79.425   27.852   93.433   68.290   93.433   68.290   0.0000   0.0000   79.425   27.852  ?   ?  0.000000 27.85153 
1 1 1   -2  -16   28 o  132.557   13.255  233.366   43.288  282.431   72.322  205.974   54.037  139.768   21.403  121.206   18.434 18.56158 28.24707 
1 1 1   -2  -16   29 f   51.485   16.606   36.422   24.294   88.034   62.050   27.078   26.401   74.663   26.513   47.012   17.215 27.65081 31.61170 
1 1 1   -2  -16   30 o   90.108   15.439  113.702   33.491  179.037   71.237   95.164   37.946  102.688   27.307   79.951   19.239 22.73748 33.40395 
1 1 1   -2  -16   31 o  109.039   18.020  173.602   47.353  129.395  160.797  177.800   49.550   79.050   36.190  109.732   18.756 -30.68212 40.76198 
1 1 1   -2  -16   32 o   32.796   14.248   1.1433   21.706 -312.6352  156.703   7.2814   21.917   49.067   24.888   35.282   14.785 13.78526 28.94842 
1 1 1   -2  -16   33 o  111.575   18.247  189.575   49.081  297.568  181.462  181.051   50.981   85.633   38.911  107.402   19.736 -21.76939 43.62978 
1 1 1   -2  -15    1 f  164.911   10.036  341.373   41.133  314.439   51.232  390.229   68.999  157.932   13.109  175.715   15.897 -17.78256 20.60464 
1 1 1   -2  -15    2 o  284.990   12.746  1016.84   90.707  937.170  111.618  1171.78  155.656  272.862   16.458  304.591   20.585 -31.72949 26.35566 
1 1 1   -2  -15    3 o  195.696   18.114  484.916   87.516  484.916   87.516   0.0000   0.0000  195.696   18.114  ?   ?  0.000000 18.11387 
1 1 1   -2  -15    4 o  332.707   12.874  1386.26  106.960  1493.73  131.992  1180.71  182.544  345.149   15.314  304.980   24.167 40.16870 28.61022 
1 1 1   -2  -15    5 o  216.241   10.947  586.683   58.923  596.247   73.523  569.511   98.517  217.719   13.591  212.032   18.801 5.686371 23.19916 
1 1 1   -2  -15    6 o  413.053   15.633  2141.20  161.247  2237.12  198.419  1954.65  276.706  421.716   18.841  391.348   28.510 30.36853 34.17363 
1 1 1   -2  -15    7 o  284.887   12.028  1016.80   85.569  1077.19  106.308  905.685  144.204  292.997   14.530  266.978   21.820 26.01932 26.21524 
1 1 1   -2  -15    8 o  489.699   21.913  3032.80  267.969  3287.61  382.383  2786.91  375.637  506.046   30.400  464.828   32.567 41.21838 44.55091 
1 1 1   -2  -15    9 o  306.972   12.829  1182.54   98.344  1211.68  121.998  1128.46  166.187  309.931   15.816  297.497   22.537 12.43350 27.53295 
1 1 1   -2  -15   10 o  247.778   10.710  769.699   66.265  858.557   83.497  618.508  108.915  261.463   12.788  220.126   20.033 41.33614 23.76665 
1 1 1   -2  -15   11 o  166.652   10.026  349.462   41.528  375.955   54.014  311.160   64.945  172.500   12.627  156.053   16.938 16.44746 21.12623 
1 1 1   -2  -15   12 o  195.200   18.908  488.246   91.010  488.246   91.010   0.0000   0.0000  195.200   18.908  ?   ?  0.000000 18.90774 
1 1 1   -2  -15   13 o  295.227   12.972  1098.50   95.633  1087.71  119.036  1118.14  160.609  292.534   16.360  294.542   21.995 -2.007996 27.41219 
1 1 1   -2  -15   14 o  154.686   9.4927  301.577   36.491  379.837   49.430  207.842   54.097  173.322   11.486  126.651   17.579 46.67158 20.99841 
1 1 1   -2  -15   15 o  374.139   13.998  1771.80  130.785  1915.05  162.649  1509.75  219.989  387.816   16.795  338.799   26.206 49.01660 31.12576 
1 1 1   -2  -15   16 o  126.379   12.567  203.714   39.134  177.982   59.577  223.243   51.901  115.738   21.402  131.501   16.144 -15.76305 26.80793 
1 1 1   -2  -15   17 o  227.941   14.434  662.077   81.737  721.964  129.285  622.201  105.496  234.887   22.309  219.133   19.482 15.75414 29.61823 
1 1 1   -2  -15   18 o   38.484   13.802   15.986   16.855   5.6653   32.425   19.808   19.731   43.179   18.030   42.215   14.955 0.9635010 23.42532 
1 1 1   -2  -15   19 o  363.984   14.822  1686.31  134.721  1737.54  168.090  1594.29  225.277  367.635   18.309  346.126   26.259 21.50864 32.01218 
1 1 1   -2  -15   20 o   61.489   14.646   50.025   22.167   70.468   39.820   40.845   26.684   72.737   20.848   56.324   17.303 16.41273 27.09300 
1 1 1   -2  -15   21 o  119.763   22.580  193.260   65.052  193.260   65.052   0.0000   0.0000  119.763   22.580  ?   ?  0.000000 22.57954 
1 1 1   -2  -15   22 o  151.616   11.922  292.966   44.773  324.217   65.259  265.175   61.541  158.035   16.794  142.460   17.679 15.57497 24.38396 
1 1 1   -2  -15   23 o   62.450   16.306   51.973   25.705   79.036   50.936   42.726   29.774   76.918   23.952   57.738   18.358 19.18004 30.17814 
1 1 1   -2  -15   24 o  221.476   12.406  626.098   68.338  690.210   93.596  552.899  100.010  230.761   16.348  204.642   19.819 26.11922 25.69112 
1 1 1   -2  -15   25 o   36.700   14.783   8.5134   20.822   17.230  121.161   8.2482   21.136   76.963   33.546   36.787   14.867 40.17606 36.69318 
1 1 1   -2  -15   26 o   40.023   15.170   15.530   20.848 -37.6594   52.190   25.628   22.741   43.287   20.102   46.284   16.081 -2.996731 25.74247 
1 1 1   -2  -15   27 o   72.053   16.231   70.832   28.503   75.568   58.596   69.364   32.622   74.203   25.811   70.774   18.317 3.429115 31.65022 
1 1 1   -2  -15   28 o  199.136   12.558  516.735   62.126  647.131   92.438  409.313   83.901  219.219   17.019  171.802   19.926 47.41707 26.20525 
1 1 1   -2  -15   29 o   77.609   16.486   83.962   30.963   89.372   64.426   82.337   35.309   76.732   27.041   75.850   18.748 0.8822784 32.90459 
1 1 1   -2  -15   30 o  170.521   13.253  387.826   55.993  451.381   87.816  344.286   72.684  176.905   20.243  155.442   19.129 21.46260 27.85100 
1 1 1   -2  -15   31 o   85.557   16.554  104.058   34.088   88.402   71.325  108.693   38.807   73.680   28.027   86.187   18.578 -12.50732 33.62534 
1 1 1   -2  -15   32 o  202.070   17.997  588.261   89.864  610.670  191.657  581.946  101.741  148.561   46.494  196.283   21.087 -47.72211 51.05230 
1 1 1   -2  -15   33 o  121.959   17.540  217.912   51.881  324.358  174.335  207.569   54.343   97.714   41.362  117.346   19.210 -19.63240 45.60558 
1 1 1   -2  -15   34 f   85.967   19.442  116.266   40.758   26.966  173.445  121.486   41.933   65.041   31.837   87.766   19.625 -22.72446 37.39978 
1 1 1   -2  -14    1 o   60.231   11.054   46.816   16.014   19.079   20.954   85.762   24.830   42.719   15.382   81.835   12.551 -39.11619 19.85270 
1 1 1   -2  -14    2 o  403.414   15.760  2040.08  158.771  2037.17  194.839  2045.82  273.920  402.719   19.374  401.454   27.489 1.264374 33.63043 
1 1 1   -2  -14    3 o  110.233   9.7811  153.148   26.645  136.821   33.953  179.320   42.989  103.672   13.431  118.718   14.824 -15.04610 20.00334 
1 1 1   -2  -14    4 o  316.971   23.292  1272.36  183.070  1272.36  183.070   0.0000   0.0000  316.971   23.292  ?   ?  0.000000 23.29157 
1 1 1   -2  -14    5 o  302.051   12.764  1142.33   96.279  1165.07  118.726  1098.66  164.540  304.429   15.671  294.511   22.544 9.917633 27.45530 
1 1 1   -2  -14    6 o  410.940   16.135  2118.48  165.574  2098.37  203.444  2157.93  284.949  408.478   19.945  411.931   27.865 -3.453247 34.26695 
1 1 1   -2  -14    7 o  411.325   14.105  2120.71  144.883  2403.26  178.804  1580.51  247.230  437.576   16.363  351.933   28.372 85.64337 32.75291 
1 1 1   -2  -14    8 o   69.427   11.208   61.872   18.770   75.732   27.132   49.151   25.994   76.421   14.751   61.525   16.555 14.89646 22.17369 
1 1 1   -2  -14    9 o  170.820   12.891  367.883   54.585  389.770   86.229  353.249   70.512  174.688   20.136  166.729   17.182 7.958252 26.46986 
1 1 1   -2  -14   10 o  442.464   15.827  2461.96  174.878  2675.82  215.583  2050.44  299.046  460.623   18.742  398.998   30.238 61.62494 35.57553 
1 1 1   -2  -14   11 o  243.689   11.184  744.552   68.058  777.537   85.558  687.719  112.306  248.375   13.850  232.430   19.530 15.94450 23.94237 
1 1 1   -2  -14   12 o  127.617   10.541  205.598   33.293  202.124   44.487  210.022   50.195  125.925   14.406  128.087   16.045 -2.160995 21.56350 
1 1 1   -2  -14   13 o  363.480   18.416  1679.17  166.608  1679.17  166.608   0.0000   0.0000  363.480   18.416  ?   ?  0.000000 18.41553 
1 1 1   -2  -14   14 o  197.187   10.547  489.718   51.746  533.274   66.828  424.504   81.772  205.326   13.102  181.927   18.245 23.39923 22.46210 
1 1 1   -2  -14   15 o   72.428   12.948   68.107   22.558   49.639   33.659   83.167   30.394   62.472   19.473   79.660   15.837 -17.18831 25.10013 
1 1 1   -2  -14   16 f  139.691   12.107  247.844   41.816  258.461   62.883  239.428   55.989  141.204   18.261  136.213   16.817 4.991333 24.82507 
1 1 1   -2  -14   17 o  287.555   12.035  1043.35   86.421  1130.41  109.143  897.038  141.497  298.562   14.639  262.725   21.763 35.83716 26.22852 
1 1 1   -2  -14   18 o  145.134   11.416  267.255   41.039  751.316   92.479  148.550   45.796  242.633   15.342  106.423   17.865 136.2108 23.54885 
1 1 1   -2  -14   19 o  145.097   11.350  267.213   40.796  255.587   55.910  280.451   59.661  140.697   16.209  147.381   16.493 -6.683350 23.12529 
1 1 1   -2  -14   20 o   82.515   13.363   88.411   26.594   82.360   42.919   92.182   33.882   78.392   21.348   83.503   16.830 -5.110275 27.18425 
1 1 1   -2  -14   21 o   69.008   14.750   62.836   24.648   58.894   42.873   64.783   30.123   67.972   22.073   69.753   17.362 -1.780899 28.08309 
1 1 1   -2  -14   23 o   84.448   23.471   96.916   51.277   96.916   51.277   0.0000   0.0000   84.448   23.471  ?   ?  0.000000 23.47057 
1 1 1   -2  -14   24 o  299.064   13.208  1137.96   98.641  1243.75  128.002  983.277  154.780  310.603   16.563  272.095   22.995 38.50870 28.33878 
1 1 1   -2  -14   25 o   82.318   14.681   89.232   29.071  126.756   54.756   74.504   34.305   95.889   23.134   74.290   18.549 21.59899 29.65152 
1 1 1   -2  -14   26 o  115.373   15.559  174.626   43.683  326.746  131.631  155.800   46.307  146.240   36.231  108.087   17.774 38.15295 40.35613 
1 1 1   -2  -14   27 o   45.772   16.092   24.624   22.805   3.1502   55.285   29.027   25.034   52.978   22.876   48.910   16.879 4.068253 28.42964 
1 1 1   -2  -14   28 o  129.590   13.447  219.531   42.883  227.333   70.318  214.910   54.110  126.770   23.062  126.232   17.648 0.5385208 29.04000 
1 1 1   -2  -14   29 o   69.819   16.741   67.471   28.811   65.873   61.736   67.916   32.576   70.496   26.233   69.592   18.447 0.9039612 32.06926 
1 1 1   -2  -14   30 o  100.453   30.036  166.830   81.172  166.830   81.172   0.0000   0.0000  100.453   30.036  ?   ?  0.000000 30.03599 
1 1 1   -2  -14   31 o   97.809   15.362  131.636   36.285  151.427   72.669  125.062   41.879   95.160   28.412   93.353   18.618 1.807167 33.96809 
1 1 1   -2  -14   32 o  132.914   14.690  241.680   47.942  226.772   83.246  249.079   58.643  114.908   29.008  131.948   18.290 -17.04011 34.29216 
1 1 1   -2  -14   33 o  126.796   16.457  227.460   50.879  455.968  167.265  204.161   53.410  131.442   43.643  118.093   18.737 13.34900 47.49538 
1 1 1   -2  -14   34 o  142.702   17.473  296.534   60.965  337.000  179.488  291.257   64.818   99.089   41.958  139.576   19.098 -40.48679 46.10018 
1 1 1   -2  -14   35 o  107.254   18.560  175.348   47.909  132.714  180.208  178.590   49.697   72.653   34.797  107.591   19.202 -34.93810 39.74362 
1 1 1   -2  -13    1 o  266.593   11.608  889.417   77.276  928.393   95.107  813.693  132.565  271.868   14.057  253.467   21.137 18.40074 25.38413 
1 1 1   -2  -13    2 o  139.193   9.4141  243.366   32.530  225.165   40.605  275.982   54.355  133.560   12.313  147.655   14.948 -14.09476 19.36597 
1 1 1   -2  -13    3 o  320.930   12.078  1289.01   96.795  1432.61  119.281  1012.09  165.642  338.190   14.124  282.472   23.702 55.71854 27.59088 
1 1 1   -2  -13    4 o  412.543   15.843  2133.48  163.217  2184.48  200.413  2033.04  281.261  417.051   19.244  400.007   28.341 17.04407 34.25665 
1 1 1   -2  -13    5 o  297.051   22.332  1116.69  164.446  1116.69  164.446   0.0000   0.0000  297.051   22.332  ?   ?  0.000000 22.33212 
1 1 1   -2  -13    6 o   89.052   10.644  100.611   23.200   81.421   30.445  127.188   35.828   79.182   15.948   99.668   14.849 -20.48595 21.79055 
1 1 1   -2  -13    7 o  134.076   10.024  226.093   33.318  222.698   42.744  231.350   53.185  132.719   13.067  134.872   16.110 -2.152664 20.74300 
1 1 1   -2  -13    8 o  242.462   11.381  735.777   68.908  755.802   85.617  698.951  116.106  245.189   14.042  234.902   19.983 10.28703 24.42322 
1 1 1   -2  -13    9 o  208.099   9.8323  541.767   51.095  626.560   64.568  399.710   83.573  223.406   11.614  177.245   19.188 46.16058 22.42900 
1 1 1   -2  -13   10 o  309.186   17.358  1205.60  133.477  1047.68  192.510  1351.80  185.229  285.995   27.286  326.303   22.877 -40.30878 35.60739 
1 1 1   -2  -13   11 o  472.070   17.236  2804.64  203.191  2968.13  250.062  2486.91  348.604  484.800   20.655  439.236   32.002 45.56390 38.08933 
1 1 1   -2  -13   12 o  101.013   10.627  129.251   26.404  140.209   36.709  117.505   38.007  104.664   14.429   95.259   16.580 9.404953 21.97878 
1 1 1   -2  -13   13 o  216.266   10.992  588.068   59.166  609.455   74.980  552.778   96.317  219.752   13.732  208.264   18.720 11.48816 23.21666 
1 1 1   -2  -13   14 o  379.538   14.918  1815.90  141.390  1866.12  174.778  1720.78  240.519  383.849   18.234  364.826   26.583 19.02310 32.23584 
1 1 1   -2  -13   15 o   83.942   20.106   93.288   41.590   93.288   41.590   0.0000   0.0000   83.942   20.106  ?   ?  0.000000 20.10596 
1 1 1   -2  -13   16 o  194.563   10.332  476.906   50.017  540.008   65.053  385.667   78.223  206.623   12.669  173.141   18.373 33.48138 22.31709 
1 1 1   -2  -13   17 o  252.767   11.292  804.377   71.273  888.330   90.763  669.329  115.115  264.753   13.776  227.595   20.474 37.15768 24.67667 
1 1 1   -2  -13   18 o  187.927   10.571  445.823   49.408  490.895   65.317  385.542   75.539  196.600   13.384  172.958   17.741 23.64111 22.22298 
1 1 1   -2  -13   19 o   52.256   15.057   35.460   20.722  228.368   75.706   19.838   21.544  130.577   24.105   43.135   15.588 87.44268 28.70631 
1 1 1   -2  -13   20 o  175.343   10.802  388.878   47.067  434.000   63.739  334.767   69.799  184.514   13.936  160.861   17.667 23.65343 22.50183 
1 1 1   -2  -13   21 o  192.183   11.664  468.039   55.714  479.386   74.789  453.890   83.513  193.396   15.619  187.331   18.077 6.064987 23.88996 
1 1 1   -2  -13   22 o  299.896   12.721  1138.77   95.265  1259.85  122.550  953.880  151.440  314.332   15.613  269.587   22.707 44.74524 27.55619 
1 1 1   -2  -13   23 o  136.010   22.198  246.740   72.793  246.740   72.793   0.0000   0.0000  136.010   22.198  ?   ?  0.000000 22.19813 
1 1 1   -2  -13   24 o  144.166   11.990  264.893   42.774  297.278   63.515  238.017   57.862  151.266   17.116  135.011   17.579 16.25424 24.53494 
1 1 1   -2  -13   25 o  179.499   12.370  410.672   55.111  431.861   78.540  390.119   77.351  182.294   17.467  172.899   18.188 9.395309 25.21702 
1 1 1   -2  -13   26 o  140.136   12.065  251.197   41.809  341.460   67.284  194.425   53.361  161.850   16.897  121.240   18.186 40.61055 24.82382 
1 1 1   -2  -13   27 o  238.160   12.657  725.885   75.007  838.809  104.799  607.287  107.400  253.875   16.622  213.652   20.377 40.22336 26.29698 
1 1 1   -2  -13   28 o  122.969   12.974  196.088   39.240  268.583   68.396  160.519   47.909  140.901   20.000  109.157   18.218 31.74466 27.05350 
1 1 1   -2  -13   29 o   60.776   16.538   50.312   25.768   95.443   59.141   39.737   28.629   81.476   25.870   55.169   18.043 26.30760 31.54093 
1 1 1   -2  -13   30 f   95.660   15.482  123.495   35.720   90.799   67.040  136.457   42.210   78.933   27.600   99.634   17.609 -20.70068 32.73923 
1 1 1   -2  -13   31 o  162.779   27.450  408.821  107.611  408.821  107.611   0.0000   0.0000  162.779   27.450  ?   ?  0.000000 27.44984 
1 1 1   -2  -13   32 o  100.521   14.867  137.996   36.194  184.833   74.533  123.543   41.404  106.301   27.772   92.923   18.493 13.37780 33.36606 
1 1 1   -2  -13   33 o  143.669   13.832  278.962   49.012  321.080   83.660  256.953   60.477  144.053   24.109  133.926   18.584 10.12682 30.43991 
1 1 1   -2  -13   34 o  142.991   16.420  288.047   57.568  502.976  175.124  262.008   60.956  138.208   44.585  134.151   18.705 4.057831 48.34966 
1 1 1   -2  -13   35 f   62.143   18.284   58.291   30.272  171.624  171.164   54.632   30.756   81.061   37.195   60.169   18.592 20.89277 41.58234 
1 1 1   -2  -13   36 o   81.128   18.911  102.300   37.605  169.905  184.118   99.357   38.415   75.718   35.958   79.384   19.516 -3.665466 40.91302 
1 1 1   -2  -12    1 o  132.498   8.9042  220.522   29.290  228.142   36.416  206.559   49.294  134.578   10.931  127.346   15.843 7.231232 19.24809 
1 1 1   -2  -12    2 o  474.923   22.157  2840.98  262.774  2708.18  372.280  2972.84  370.960  460.276   32.600  482.894   30.925 -22.61792 44.93481 
1 1 1   -2  -12    3 o  186.462   12.335  437.121   57.112  402.780   80.923  471.202   80.615  178.157   18.457  193.072   16.890 -14.91566 25.01891 
1 1 1   -2  -12    4 o  255.353   14.240  819.338   90.439  818.118  128.184  820.547  127.617  254.324   20.354  254.725   20.229 -0.4008179 28.69670 
1 1 1   -2  -12    5 o  346.805   17.274  1508.82  149.599  1428.34  211.777  1588.97  211.354  335.573   25.462  354.328   24.029 -18.75534 35.00972 
1 1 1   -2  -12    6 f  503.314   22.726  3188.71  285.641  3429.50  404.689  2949.65  403.229  519.181   31.361  480.614   33.813 38.56726 46.11768 
1 1 1   -2  -12    7 o  600.642   38.871  4631.28  579.902  4631.28  579.902   0.0000   0.0000  600.642   38.871  ?   ?  0.000000 38.87074 
1 1 1   -2  -12    8 o  300.709   15.549  1136.59  116.359  1205.73  165.330  1068.72  163.795  308.823   21.574  290.445   22.765 18.37720 31.36395 
1 1 1   -2  -12    9 o  130.368   12.483  214.729   40.143  111.638   58.016  309.422   55.603   92.458   24.670  156.481   14.391 -64.02275 28.56060 
1 1 1   -2  -12   10 o  286.578   15.446  1033.11  110.130  1006.30  156.677  1059.30  154.833  281.651   22.463  289.185   21.596 -7.534393 31.16094 
1 1 1   -2  -12   11 o  301.420   16.190  1144.12  121.413  1049.00  172.720  1237.03  170.707  287.017   24.327  312.359   22.026 -25.34241 32.81705 
1 1 1   -2  -12   12 o  182.050   17.584  420.846   78.944   0.0000   0.0000  420.846   78.944  ?   ?   182.050   17.584 0.000000 17.58400 
1 1 1   -2  -12   13 o  184.582   12.654  429.409   57.976  436.974   83.647  422.415   80.428  185.275   18.319  182.213   17.907 3.062302 25.61766 
1 1 1   -2  -12   14 o  126.374   10.827  201.677   33.837  200.155   45.633  203.536   50.432  125.265   14.879  126.052   16.411 -0.7870483 22.15155 
1 1 1   -2  -12   15 o  230.668   11.736  669.842   67.378  671.537   84.900  666.958  110.744  230.399   14.835  228.509   19.597 1.890335 24.57894 
1 1 1   -2  -12   16 o   76.412   20.228   77.001   39.204   77.001   39.204   0.0000   0.0000   76.412   20.228  ?   ?  0.000000 20.22808 
1 1 1   -2  -12   17 o   68.571   12.566   61.053   20.724   77.605   32.688   49.928   26.798   76.696   17.459   61.754   16.890 14.94174 24.29232 
1 1 1   -2  -12   18 o  109.752   11.365  153.213   30.697  148.904   43.315  157.561   43.511  107.044   16.754  110.285   16.289 -3.242027 23.36715 
1 1 1   -2  -12   19 o  158.966   10.761  319.463   42.465  339.786   57.122  294.356   63.491  163.253   14.152  151.112   17.128 12.14131 22.21782 
1 1 1   -2  -12   20 o  185.518   10.890  434.932   50.229  478.398   66.798  378.372   76.197  193.895   13.888  171.143   18.104 22.75131 22.81711 
1 1 1   -2  -12   21 o   84.410   16.896   93.991   34.373   0.0000   0.0000   93.991   34.373  ?   ?    84.410   16.896 0.000000 16.89630 
1 1 1   -2  -12   22 o  169.880   15.806  370.601   66.284  370.601   66.284   0.0000   0.0000  169.880   15.806  ?   ?  0.000000 15.80612 
1 1 1   -2  -12   23 o  465.076   17.073  2767.42  198.277  2938.67  246.748  2455.31  333.113  476.525   20.736  424.914   31.620 51.61102 37.81242 
1 1 1   -2  -12   24 o  297.105   13.591  1120.38  100.838  1150.19  129.307  1074.13  161.087  299.022   17.392  285.976   22.745 13.04593 28.63230 
1 1 1   -2  -12   25 o   52.282   22.192   5.0256   50.408   5.0256   50.408   0.0000   0.0000   52.282   22.192  ?   ?  0.000000 22.19231 
1 1 1   -2  -12   26 o  161.548   12.004  332.473   48.080  401.652   72.581  278.376   64.183  176.096   16.705  145.890   17.999 30.20525 24.55659 
1 1 1   -2  -12   27 o  223.871   12.317  638.735   68.591  723.915   94.823  545.246   99.340  236.694   16.139  203.512   19.798 33.18188 25.54239 
1 1 1   -2  -12   28 o  146.471   12.529  275.521   45.384  331.628   72.449  239.282   58.225  158.272   18.691  134.533   17.766 23.73962 25.78729 
1 1 1   -2  -12   29 f   46.268   16.096   25.498   22.786   6.8556  128.565   26.102   23.153   76.241   33.839   46.730   16.226 29.51066 37.52844 
1 1 1   -2  -12   30 o  119.857   14.437  189.242   42.342  137.055   71.403  217.548   52.587   95.766   28.054  127.429   16.946 -31.66312 32.77453 
1 1 1   -2  -12   31 o   70.241   15.863   67.705   27.166  106.367   59.758   57.633   30.500   84.381   25.889   64.361   18.177 20.01971 31.63279 
1 1 1   -2  -12   32 f   55.992   24.393   11.062   63.988   11.062   63.988   0.0000   0.0000   55.992   24.393  ?   ?  0.000000 24.39299 
1 1 1   -2  -12   33 o  151.176   13.105  303.959   48.985  381.257   81.314  259.929   61.370  162.742   20.461  135.663   18.605 27.07962 27.65512 
1 1 1   -2  -12   34 o  102.139   14.828  143.400   36.714  209.590   77.184  124.045   41.738  112.240   27.705   92.444   18.722 19.79633 33.43810 
1 1 1   -2  -12   35 o   46.869   16.377   29.093   23.601   24.114   70.150   29.729   25.062   57.715   25.331   47.526   16.853 10.18846 30.42475 
1 1 1   -2  -12   36 o   50.112   17.414   35.121   26.668   58.187  175.761   34.578   26.980   71.506   34.279   49.876   17.505 21.62992 38.49006 
1 1 1   -2  -12   37 o  162.393   18.450  397.285   73.490  411.884  208.424  395.212   78.534   94.703   42.486  159.421   20.179 -64.71712 47.03501 
1 1 1   -2  -11    1 o  289.621   15.347  1056.26  110.602  1019.02  156.542  1093.37  156.290  283.115   22.323  293.512   21.472 -10.39731 30.97385 
1 1 1   -2  -11    2 o  328.367   16.671  1357.87  136.255  1298.62  192.799  1416.99  192.587  319.552   24.344  334.142   23.225 -14.59061 33.64557 
1 1 1   -2  -11    3 o  206.409   18.189  539.432   92.798   0.0000   0.0000  539.432   92.798  ?   ?   206.409   18.189 0.000000 18.18940 
1 1 1   -2  -11    4 o  243.953   13.933  748.024   84.526  718.766  119.797  777.030  119.281  238.214   20.333  247.895   19.424 -9.681915 28.12004 
1 1 1   -2  -11    5 o  135.647   11.415  231.857   38.307  195.427   54.555  267.289   53.802  123.461   18.245  145.271   15.049 -21.81026 23.65067 
1 1 1   -2  -11    6 o  487.235   22.432  2987.68  272.935  2958.09  386.251  3017.19  385.726  481.759   32.293  486.684   31.915 -4.925201 45.40265 
1 1 1   -2  -11    7 o  648.993   28.871  5327.17  467.899  5220.61  661.859  5433.62  661.560  636.738   41.858  650.063   40.963 -13.32465 58.56672 
1 1 1   -2  -11    8 o  423.162   28.769  2274.79  302.200  2274.79  302.200   0.0000   0.0000  423.162   28.769  ?   ?  0.000000 28.76895 
1 1 1   -2  -11    9 o  474.402   21.997  2831.99  260.590  2768.23  368.915  2895.48  368.147  466.011   31.893  476.890   31.084 -10.87842 44.53511 
1 1 1   -2  -11   10 o  356.233   17.478  1592.75  155.476  1645.63  220.676  1540.64  219.086  360.355   24.672  348.471   25.350 11.88431 35.37406 
1 1 1   -2  -11   11 o  240.917   14.030  729.789   84.038  715.995  119.972  743.077  117.755  237.693   20.410  242.309   19.629 -4.616486 28.31759 
1 1 1   -2  -11   12 o  466.874   21.720  2748.40  253.225  2758.70  358.950  2738.20  357.285  464.388   31.133  462.663   31.105 1.725555 44.00904 
1 1 1   -2  -11   13 o  223.965   19.118  636.342  105.899   0.0000   0.0000  636.342  105.899  ?   ?   223.965   19.118 0.000000 19.11795 
1 1 1   -2  -11   14 o  428.932   20.393  2324.56  218.430  2318.67  310.016  2330.38  307.809  424.762   29.408  425.957   29.112 -1.195099 41.38065 
1 1 1   -2  -11   15 o  322.920   16.919  1318.13  135.962  1245.42  193.520  1389.01  191.063  311.574   25.085  329.716   23.356 -18.14233 34.27475 
1 1 1   -2  -11   16 o  279.107   15.072  984.323  104.658  1027.30  150.043  943.597  146.056  283.494   21.351  271.522   21.723 11.97159 30.45900 
1 1 1   -2  -11   17 f  140.470   18.575  254.527   63.558  254.527   63.558   0.0000   0.0000  140.470   18.575  ?   ?  0.000000 18.57463 
1 1 1   -2  -11   18 o   69.593   14.084   63.288   23.636   57.298   38.193   67.005   30.089   66.972   20.722   71.283   17.119 -4.310303 26.87829 
1 1 1   -2  -11   19 o  267.125   12.173  899.136   81.203  946.486  102.722  820.252  132.587  272.993   15.127  251.975   21.270 21.01741 26.10080 
1 1 1   -2  -11   20 o   45.678   14.411   26.083   18.374  -0.6288   32.623   38.493   22.237   41.379   17.716   54.423   15.573 -13.04419 23.58780 
1 1 1   -2  -11   21 o  144.307   12.014  264.467   42.899  226.636   58.848  307.370   62.668  131.969   18.354  154.570   16.490 -22.60132 24.67387 
1 1 1   -2  -11   22 o  104.112   14.508  140.008   36.694  231.118   93.560  123.446   39.890  129.499   29.580   97.022   17.088 32.47692 34.16116 
1 1 1   -2  -11   23 o  178.150   12.657  403.236   55.939  333.380   74.866  491.533   84.169  160.071   19.107  195.352   17.437 -35.28148 25.86734 
1 1 1   -2  -11   24 o  334.905   13.554  1421.75  113.359  1553.07  144.166  1209.04  183.478  348.749   16.554  302.922   24.464 45.82620 29.53818 
1 1 1   -2  -11   25 o  162.764   12.360  337.050   49.864  323.954   70.837  349.913   70.203  157.811   18.316  164.408   17.362 -6.596954 25.23690 
1 1 1   -2  -11   26 o  264.231   23.581  923.162  153.962  923.162  153.962   0.0000   0.0000  264.231   23.581  ?   ?  0.000000 23.58126 
1 1 1   -2  -11   27 o  240.066   12.575  733.132   75.121  795.827  101.562  657.403  111.622  248.540   16.457  224.047   20.167 24.49286 26.02950 
1 1 1   -2  -11   28 o   71.061   16.035   67.372   27.778   57.631   57.338   70.360   31.753   70.053   25.412   72.367   17.714 -2.314171 30.97670 
1 1 1   -2  -11   29 o  151.010   12.109  292.218   45.279  354.020   69.643  246.966   59.593  164.271   17.234  136.656   17.893 27.61432 24.84270 
1 1 1   -2  -11   30 o  124.785   15.456  204.836   47.133  302.491  136.323  191.577   50.231  136.877   38.349  119.876   17.279 17.00106 42.06241 
1 1 1   -2  -11   31 o   60.280   15.839   49.388   24.154   93.946   56.172   39.281   26.753   80.922   25.145   54.605   17.406 26.31651 30.58203 
1 1 1   -2  -11   32 o   92.479   14.905  114.963   33.252  127.625   65.258  110.522   38.645   91.634   26.813   89.293   17.954 2.341064 32.26844 
1 1 1   -2  -11   33 f   88.008   15.811  106.274   33.471   85.461   67.204  113.140   38.600   75.929   27.516   89.847   17.833 -13.91747 32.79000 
1 1 1   -2  -11   34 o   70.520   17.205   70.716   30.029   30.522   68.408   80.310   33.422   60.579   25.787   74.821   18.087 -14.24276 31.49826 
1 1 1   -2  -11   35 o   45.352   16.240   25.766   23.327 -34.1135   69.427   33.386   24.767   48.740   22.815   49.778   16.797 -1.037270 28.33135 
1 1 1   -2  -11   36 o   39.012   15.339   14.806   21.890 -21.2647   71.400   18.548   22.997   50.462   23.460   41.292   15.865 9.170280 28.32043 
1 1 1   -2  -11   37 o   93.073   18.473  129.299   41.421  118.224  188.311  129.862   42.461   76.467   36.329   92.885   18.948 -16.41823 40.97339 
1 1 1   -2  -11   38 o  104.763   18.527  166.851   46.696  220.034  200.923  163.814   48.011   78.940   37.510  102.921   19.392 -23.98058 42.22635 
1 1 1   -2  -10    1 o  313.156   16.153  1237.51  125.888  1197.41  178.128  1277.53  177.938  306.233   23.472  316.601   22.656 -10.36844 32.62253 
1 1 1   -2  -10    2 o  282.153   15.117  1003.21  106.127  961.175  150.207  1045.10  149.967  274.727   22.081  286.780   21.089 -12.05286 30.53384 
1 1 1   -2  -10    3 o  354.833   17.519  1583.84  155.231  1524.38  219.615  1643.22  219.446  345.745   25.619  359.322   24.605 -13.57684 35.52037 
1 1 1   -2  -10    4 o  123.608   11.167  192.826   34.097  163.847   48.591  220.936   47.857  112.823   17.840  131.903   14.784 -19.08009 23.16912 
1 1 1   -2  -10    5 o  179.284   17.200  407.169   76.062   0.0000   0.0000  407.169   76.062  ?   ?   179.284   17.200 0.000000 17.20046 
1 1 1   -2  -10    6 o  116.801   11.280  172.286   32.492  122.923   46.330  220.066   45.581   97.166   19.767  131.798   14.067 -34.63184 24.26107 
1 1 1   -2  -10    7 o  392.660   18.540  1935.62  181.794  2093.59  257.740  1779.23  256.456  406.608   25.513  374.240   27.637 32.36786 37.61298 
1 1 1   -2  -10    8 o  510.664   23.355  3283.43  297.828  3227.62  421.456  3339.09  420.929  502.959   33.752  511.813   33.112 -8.853821 47.28155 
1 1 1   -2  -10    9 o  440.776   29.725  2469.38  325.269  2469.38  325.269   0.0000   0.0000  440.776   29.725  ?   ?  0.000000 29.72471 
1 1 1   -2  -10   10 o  245.646   14.211  758.326   86.800  699.031  123.326  816.534  122.190  234.837   21.260  254.249   19.392 -19.41135 28.77557 
1 1 1   -2  -10   11 o  563.959   25.206  4012.97  354.974  4231.47  502.976  3796.15  501.048  575.266   35.182  544.041   37.102 31.22552 51.13043 
1 1 1   -2  -10   12 o  374.584   18.031  1762.19  168.667  1854.05  239.662  1672.04  237.414  382.355   25.243  362.753   26.390 19.60205 36.51840 
1 1 1   -2  -10   13 o  607.216   27.295  4673.02  413.882  4658.44  586.014  4687.53  584.624  600.349   39.306  602.345   39.078 -1.995667 55.42598 
1 1 1   -2  -10   14 o  457.322   30.799  2681.01  349.680   0.0000   0.0000  2681.01  349.680  ?   ?   457.322   30.799 0.000000 30.79880 
1 1 1   -2  -10   15 o  146.939   12.733  272.810   46.260  205.382   67.847  331.387   63.238  125.551   22.465  161.585   15.877 -36.03403 27.50909 
1 1 1   -2  -10   16 o   99.975   12.445  127.345   30.397  112.798   47.006  137.799   39.850   92.595   20.833  103.445   15.938 -10.85039 26.23047 
1 1 1   -2  -10   17 o  218.041   13.844  600.444   74.988  554.837  108.182  642.624  104.038  207.965   21.124  224.572   18.722 -16.60635 28.22702 
1 1 1   -2  -10   18 o  135.810   12.011  233.623   40.313  248.455   60.776  221.970   53.869  138.923   17.938  131.445   16.795 7.478973 24.57341 
1 1 1   -2  -10   19 o   63.790   20.745   50.463   37.863   50.463   37.863   0.0000   0.0000   63.790   20.745  ?   ?  0.000000 20.74455 
1 1 1   -2  -10   20 o  144.802   16.765  269.639   59.499   0.0000   0.0000  269.639   59.499  ?   ?   144.802   16.765 0.000000 16.76464 
1 1 1   -2  -10   21 o  130.806   19.977  223.857   63.185  223.857   63.185   0.0000   0.0000  130.806   19.977  ?   ?  0.000000 19.97699 
1 1 1   -2  -10   22 f  264.016   12.613  880.084   83.156  894.402  106.095  857.279  133.899  264.763   16.124  257.274   21.025 7.489624 26.49601 
1 1 1   -2  -10   23 o  108.932   15.253  153.480   40.353   96.863   90.782  167.420   45.048   89.607   32.043  113.581   16.354 -23.97373 35.97505 
1 1 1   -2  -10   24 o  205.984   13.031  538.790   66.683  463.548   87.243  644.508  103.413  189.287   18.702  223.471   18.703 -34.18410 26.44911 
1 1 1   -2  -10   25 o  193.849   11.935  476.340   57.494  494.303   78.621  455.692   84.292  196.270   16.185  187.723   18.210 8.547485 24.36352 
1 1 1   -2  -10   26 o  333.297   14.652  1412.60  121.949  1399.89  154.584  1433.56  198.441  329.345   18.875  329.846   24.262 -0.5003357 30.73923 
1 1 1   -2  -10   27 o   75.269   24.471   73.227   52.691   73.227   52.691   0.0000   0.0000   75.269   24.471  ?   ?  0.000000 24.47144 
1 1 1   -2  -10   28 o  207.913   11.956  549.288   61.814  623.751   86.387  471.160   88.488  220.210   15.815  190.011   18.900 30.19891 24.64362 
1 1 1   -2  -10   29 o  233.936   12.574  697.738   73.185  762.848  100.206  623.306  107.140  242.795   16.627  217.680   19.931 25.11478 25.95606 
1 1 1   -2  -10   30 o   69.354   15.455   64.333   26.082  115.106   55.369   49.853   29.569   90.795   24.041   61.214   18.088 29.58156 30.08545 
1 1 1   -2  -10   31 o  120.867   15.412  192.341   45.460  328.142  140.010  176.337   48.064  142.508   38.454  114.905   17.286 27.60292 42.16019 
1 1 1   -2  -10   32 o  108.132   14.683  154.803   38.622  102.947   66.597  181.081   47.408   84.170   27.519  116.112   16.842 -31.94250 32.26358 
1 1 1   -2  -10   33 o   72.534   15.584   71.969   27.387  164.868   63.511   50.750   30.354  105.564   24.556   60.695   18.417 44.86956 30.69475 
1 1 1   -2  -10   34 o   94.306   15.737  121.594   35.754   86.906   71.094  133.337   41.365   76.561   28.216   97.862   17.573 -21.30065 33.24097 
1 1 1   -2  -10   35 o   63.091   26.939   34.859   75.068   34.859   75.068   0.0000   0.0000   63.091   26.939  ?   ?  0.000000 26.93886 
1 1 1   -2  -10   36 f   36.856   14.613   11.836   20.023   30.310   70.700   10.225   20.878   60.246   25.943   36.583   14.779 23.66307 29.85723 
1 1 1   -2  -10   37 f  117.853   16.081  195.134   46.092  126.857   88.994  220.162   53.882   82.218   31.299  123.645   17.978 -41.42627 36.09457 
1 1 1   -2  -10   38 o  140.715   18.167  290.639   62.347  226.786  203.021  297.288   65.513   84.832   39.478  141.327   19.048 -56.49425 43.83346 
1 1 1   -2   -9    1 o  284.536   21.724  1032.47  153.194  1032.47  153.194   0.0000   0.0000  284.536   21.724  ?   ?  0.000000 21.72443 
1 1 1   -2   -9    2 o  285.237   15.212  1026.39  107.962  979.838  152.754  1072.85  152.609  277.046   22.268  290.262   21.201 -13.21640 30.74611 
1 1 1   -2   -9    3 f  531.419   24.322  3590.11  322.767  3554.45  456.558  3625.74  456.364  522.667   35.185  528.133   34.798 -5.465454 49.48622 
1 1 1   -2   -9    4 o  224.512   13.351  634.595   74.517  584.112  105.505  684.844  105.260  214.244   19.950  232.452   18.281 -18.20808 27.05881 
1 1 1   -2   -9    5 o  155.407   11.614  304.160   44.747  282.901   63.561  325.049   63.005  149.015   17.409  160.099   15.973 -11.08363 23.62632 
1 1 1   -2   -9    6 o  471.755   31.447  2843.89  368.345   0.0000   0.0000  2843.89  368.345  ?   ?   471.755   31.447 0.000000 31.44728 
1 1 1   -2   -9    7 o  510.103   23.337  3279.31  297.268  3179.50  420.508  3379.02  420.293  498.614   33.975  514.467   32.887 -15.85254 47.28436 
1 1 1   -2   -9    8 o  396.401   19.026  1973.26  188.333  1938.69  266.628  2007.68  266.058  390.767   27.499  397.821   26.940 -7.053894 38.49644 
1 1 1   -2   -9    9 o  274.233   14.870  944.894  101.448  945.821  143.949  943.980  142.993  273.481   21.245  273.233   21.121 0.2485962 29.95739 
1 1 1   -2   -9   10 o  321.785   16.493  1301.53  132.083  1283.57  187.271  1319.31  186.320  318.419   23.722  322.927   23.261 -4.508667 33.22327 
1 1 1   -2   -9   11 o  378.843   26.468  1819.88  248.826  1819.88  248.826   0.0000   0.0000  378.843   26.468  ?   ?  0.000000 26.46806 
1 1 1   -2   -9   12 o  154.709   11.928  301.306   45.727  304.265   66.144  298.598   63.287  154.762   17.418  153.390   16.797 1.371521 24.19716 
1 1 1   -2   -9   13 o  825.932   36.285  8714.46  748.374  8874.23  1059.22  8555.22  1057.50  822.461   51.838  806.779   52.781 15.68140 73.97970 
1 1 1   -2   -9   14 o  255.553   14.441  821.366   91.781  825.658  131.241  817.259  128.401  255.242   20.771  253.997   20.416 1.245590 29.12454 
1 1 1   -2   -9   15 o  204.623   13.564  527.297   68.915  470.670   99.600  579.304   95.452  192.044   21.118  213.850   18.043 -21.80626 27.77569 
1 1 1   -2   -9   16 o  174.716   17.391  388.009   74.870   0.0000   0.0000  388.009   74.870  ?   ?   174.716   17.391 0.000000 17.39137 
1 1 1   -2   -9   17 o  405.105   19.646  2074.99  198.746  2030.56  282.354  2118.61  279.802  397.009   28.673  405.947   27.768 -8.937805 39.91502 
1 1 1   -2   -9   18 o  304.107   16.423  1170.18  124.254  1095.64  177.406  1241.94  174.085  291.840   24.572  311.544   22.528 -19.70364 33.33599 
1 1 1   -2   -9   19 o  144.986   12.450  266.258   44.639  255.541   67.278  274.686   59.663  140.505   19.718  146.487   16.603 -5.981308 25.77713 
1 1 1   -2   -9   20 o  106.162   20.768  148.657   53.085  148.657   53.085   0.0000   0.0000  106.162   20.768  ?   ?  0.000000 20.76778 
1 1 1   -2   -9   21 o  153.757   11.830  299.382   45.074  370.340   68.957  246.450   59.558  170.090   16.440  138.141   17.670 31.94826 24.13503 
1 1 1   -2   -9   22 o   30.953   12.189   6.8531   13.843   86.234   36.819  -6.2151   14.939   80.637   18.655   25.637   11.447 55.00014 21.88708 
1 1 1   -2   -9   23 o   72.542   14.693   69.014   25.704   36.040   47.614   82.575   30.536   60.785   22.952   79.262   15.979 -18.47733 27.96687 
1 1 1   -2   -9   24 o  141.271   15.916  256.798   55.169  129.568  113.515  296.144   63.126  101.402   35.877  151.540   16.973 -50.13866 39.68890 
1 1 1   -2   -9   25 o   42.260   14.323   21.067   18.009   9.7316   36.183   24.800   20.764   46.720   19.236   45.628   15.380 1.091721 24.62814 
1 1 1   -2   -9   26 o  221.364   12.054  620.680   66.382  656.758   88.528  574.339  100.334  226.607   15.742  210.571   19.295 16.03624 24.90235 
1 1 1   -2   -9   27 o   71.819   14.675   67.865   25.431   90.738   47.473   58.660   30.116   82.156   22.485   66.502   17.788 15.65309 28.67041 
1 1 1   -2   -9   28 o   99.637   25.398  136.044   63.381  136.044   63.381   0.0000   0.0000   99.637   25.398  ?   ?  0.000000 25.39781 
1 1 1   -2   -9   29 o  213.371   12.756  579.744   67.657  589.714   93.283  568.678   98.277  213.326   17.670  208.849   19.054 4.477097 25.98585 
1 1 1   -2   -9   30 o  141.167   12.021  254.750   41.973  344.570   68.334  200.328   53.190  162.572   17.088  123.285   17.792 39.28660 24.66885 
1 1 1   -2   -9   31 o  155.540   12.584  310.666   48.458  358.683   75.837  277.534   62.995  164.547   18.793  144.969   17.773 19.57762 25.86662 
1 1 1   -2   -9   32 o  134.900   15.268  238.884   50.529  462.494  152.718  211.396   53.545  171.775   36.716  125.850   17.513 45.92558 40.67829 
1 1 1   -2   -9   33 o   81.075   16.544   89.454   32.360   17.450   64.939  113.240   37.324   59.261   25.173   91.288   16.998 -32.02650 30.37512 
1 1 1   -2   -9   34 o   33.975   13.861   6.7813   18.576 -38.2195   58.906   11.751   19.575   45.590   21.232   37.045   14.524 8.545326 25.72486 
1 1 1   -2   -9   35 o   67.223   16.770   63.318   28.059   53.430   67.036   65.419   30.896   66.733   26.650   67.974   17.939 -1.241173 32.12553 
1 1 1   -2   -9   36 o   55.719   25.324  -8.5208   76.912  -8.5208   76.912   0.0000   0.0000   55.719   25.324  ?   ?  0.000000 25.32377 
1 1 1   -2   -9   37 o   54.777   17.294   42.151   26.456 -18.8207   76.711   50.383   28.186   53.314   24.621   59.298   17.692 -5.984703 30.31830 
1 1 1   -2   -9   38 o   95.136   17.433  130.495   39.890   35.431   86.833  155.925   44.910   63.025   27.899  103.753   17.985 -40.72816 33.19413 
1 1 1   -2   -9   39 o   60.348   18.382   54.846   30.196  149.832  195.317   52.520   30.563   78.614   37.247   59.107   18.578 19.50734 41.62303 
1 1 1   -2   -8    1 o  355.905   17.520  1596.27  155.713  1620.24  220.352  1572.36  220.070  356.070   24.939  350.626   25.304 5.443542 35.52838 
1 1 1   -2   -8    2 o  396.529   27.534  2020.20  270.949  2020.20  270.949   0.0000   0.0000  396.529   27.534  ?   ?  0.000000 27.53361 
1 1 1   -2   -8    3 o  356.802   17.609  1605.93  156.896  1579.59  221.976  1632.22  221.793  351.047   25.495  357.040   25.034 -5.992676 35.73146 
1 1 1   -2   -8    4 o  331.746   16.779  1389.95  138.549  1402.57  196.137  1377.38  195.738  331.348   23.864  328.288   24.044 3.059998 33.87614 
1 1 1   -2   -8    5 o  226.049   13.367  643.494   75.117  626.772  106.412  660.103  106.052  222.035   19.386  228.025   18.792 -5.989410 26.99937 
1 1 1   -2   -8    6 o  248.059   14.070  774.452   86.797  727.363  122.912  821.295  122.589  239.231   20.781  254.582   19.430 -15.35110 28.44909 
1 1 1   -2   -8    7 o  286.534   21.717  1040.59  154.234   0.0000   0.0000  1040.59  154.234  ?   ?   286.534   21.717 0.000000 21.71679 
1 1 1   -2   -8    8 o  335.426   16.917  1415.35  141.242  1401.88  200.048  1428.74  199.446  332.515   24.259  335.770   23.944 -3.254913 34.08536 
1 1 1   -2   -8    9 o  562.051   25.342  3984.48  355.688  4011.86  503.367  3957.18  502.671  559.962   36.191  556.039   36.403 3.922607 51.33189 
1 1 1   -2   -8   10 o  384.040   18.591  1851.11  178.290  1819.55  252.525  1882.48  251.756  378.764   26.873  385.412   26.315 -6.647583 37.61170 
1 1 1   -2   -8   11 o  259.142   14.324  843.589   92.333  872.071  131.358  815.773  129.812  262.729   20.176  253.982   20.646 8.746414 28.86723 
1 1 1   -2   -8   12 o  544.282   35.563  3784.73  480.699  3784.73  480.699   0.0000   0.0000  544.282   35.563  ?   ?  0.000000 35.56256 
1 1 1   -2   -8   13 o  443.361   20.707  2471.09  229.259  2527.46  324.972  2415.25  323.476  445.944   29.346  435.741   29.909 10.20285 41.90135 
1 1 1   -2   -8   14 o  192.982   13.170  468.549   63.089  406.922   90.719  526.269   87.796  178.696   20.714  204.039   17.397 -25.34261 27.05056 
1 1 1   -2   -8   15 o  212.126   13.394  566.028   70.588  547.339  101.525  583.517   98.211  207.653   19.819  214.684   18.500 -7.031357 27.11191 
1 1 1   -2   -8   16 o  172.913   12.576  376.636   53.929  365.839   78.690  386.199   74.056  169.450   18.919  174.445   17.225 -4.995605 25.58599 
1 1 1   -2   -8   17 o  432.499   29.510  2401.49  316.810   0.0000   0.0000  2401.49  316.810  ?   ?   432.499   29.510 0.000000 29.50967 
1 1 1   -2   -8   18 o  451.512   21.383  2583.56  241.090  2544.73  342.244  2621.81  339.676  443.491   31.100  450.551   30.368 -7.059265 43.46707 
1 1 1   -2   -8   19 o  104.433   16.430  140.841   41.432   0.0000   0.0000  140.841   41.432  ?   ?   104.433   16.430 0.000000 16.42984 
1 1 1   -2   -8   20 o  257.409   21.577  850.713  137.419  850.713  137.419   0.0000   0.0000  257.409   21.577  ?   ?  0.000000 21.57723 
1 1 1   -2   -8   21 o  185.181   19.598  441.531   89.251  441.531   89.251   0.0000   0.0000  185.181   19.598  ?   ?  0.000000 19.59819 
1 1 1   -2   -8   22 o  212.806   13.743  574.118   72.643  552.842  106.083  592.904   99.682  206.795   20.826  214.896   18.764 -8.101212 28.03193 
1 1 1   -2   -8   23 o  194.295   13.176  478.727   63.552  476.394   93.427  480.737   86.702  191.996   19.769  193.380   18.167 -1.384308 26.84886 
1 1 1   -2   -8   24 o   47.191   14.658   28.091   19.091  -2.6301   38.749   37.938   21.938   44.467   19.177   54.034   15.471 -9.566341 24.63932 
1 1 1   -2   -8   25 o  171.835   12.650  374.841   53.902  406.447   82.056  350.853   71.489  177.268   18.825  164.930   17.631 12.33801 25.79165 
1 1 1   -2   -8   26 o  211.823   19.081  579.678   99.848   0.0000   0.0000  579.678   99.848  ?   ?   211.823   19.081 0.000000 19.08105 
1 1 1   -2   -8   27 o  264.224   12.953  883.166   85.466  897.384  110.985  862.449  133.969  264.646   16.882  257.632   21.006 7.013794 26.94924 
1 1 1   -2   -8   28 o  188.221   12.502  450.006   58.428  442.379   81.155  458.212   84.188  185.016   17.785  188.200   18.138 -3.184616 25.40224 
1 1 1   -2   -8   29 o  244.637   13.363  761.440   81.324  752.544  108.499  772.846  122.852  241.323   18.137  243.505   20.391 -2.182083 27.28997 
1 1 1   -2   -8   30 o  103.511   26.578  148.552   69.054  148.552   69.054   0.0000   0.0000  103.511   26.578  ?   ?  0.000000 26.57774 
1 1 1   -2   -8   31 o  143.661   13.108  264.973   46.506  264.760   73.016  265.118   60.326  140.477   21.498  142.269   17.339 -1.791214 27.61901 
1 1 1   -2   -8   32 o  108.578   14.011  153.614   37.104  153.705   67.011  153.573   44.557  104.140   25.881  107.481   17.180 -3.341644 31.06392 
1 1 1   -2   -8   33 o   96.943   14.361  123.883   33.714  143.823   65.108  116.577   39.408   99.787   25.902   92.803   17.650 6.983055 31.34367 
1 1 1   -2   -8   34 o  158.554   13.388  327.907   52.514  325.819   82.364  329.337   68.165  152.585   22.272  156.432   17.765 -3.847565 28.48933 
1 1 1   -2   -8   35 o   55.135   16.723   41.311   25.031  -1.3117   63.961   49.020   27.201   54.118   23.951   59.605   17.273 -5.486916 29.53030 
1 1 1   -2   -8   36 o  142.770   15.019  273.921   52.744  184.562   86.949  325.948   66.345  104.972   31.017  153.925   17.575 -48.95284 35.64999 
1 1 1   -2   -8   37 o   80.281   30.578  103.608   84.971  103.608   84.971   0.0000   0.0000   80.281   30.578  ?   ?  0.000000 30.57811 
1 1 1   -2   -8   38 o   38.626   15.296   13.440   21.911   61.324   79.226   9.4744   22.800   68.344   28.331   37.352   15.311 30.99200 32.20369 
1 1 1   -2   -8   39 o   50.875   17.325   35.772   26.350 -34.5505   85.983   43.061   27.682   52.776   24.917   54.830   17.730 -2.053471 30.58130 
1 1 1   -2   -8   40 o   51.587   17.654   38.009   27.363   0.0000   0.0000   38.009   27.363  ?   ?    51.587   17.654 0.000000 17.65405 
1 1 1   -2   -7    1 o  317.051   16.230  1266.29  128.066  1221.44  181.124  1311.12  181.102  309.845   23.586  321.291   22.719 -11.44589 32.74807 
1 1 1   -2   -7    2 o  146.859   11.282  271.795   41.060  257.023   58.166  286.466   57.969  141.980   16.727  150.170   15.690 -8.189819 22.93366 
1 1 1   -2   -7    3 o  156.132   16.490  310.221   63.318  310.221   63.318   0.0000   0.0000  156.132   16.490  ?   ?  0.000000 16.48954 
1 1 1   -2   -7    4 o  563.066   25.633  4043.50  360.420  4056.93  509.827  4030.08  509.595  556.731   36.880  554.799   36.994 1.931335 52.23730 
1 1 1   -2   -7    5 o  222.955   13.286  626.411   73.637  566.911  104.200  685.772  104.077  210.795   20.036  232.445   18.072 -21.65004 26.98244 
1 1 1   -2   -7    6 o  169.992   11.852  364.063   49.999  362.422   70.962  365.681   70.459  168.798   17.069  169.601   16.860 -0.8021851 23.99189 
1 1 1   -2   -7    7 o  393.865   18.919  1954.38  186.074  1975.90  263.422  1932.94  262.875  393.346   26.981  388.946   27.237 4.399384 38.33844 
1 1 1   -2   -7    8 o  276.833   21.272  971.327  145.932   0.0000   0.0000  971.327  145.932  ?   ?   276.833   21.272 0.000000 21.27239 
1 1 1   -2   -7    9 o  101.718   11.129  131.002   27.806  114.049   40.079  146.735   38.610   93.790   17.763  107.198   14.820 -13.40858 23.13310 
1 1 1   -2   -7   10 o  475.332   21.946  2842.46  260.494  2867.04  368.802  2817.97  367.989  474.561   31.296  470.404   31.509 4.157043 44.41019 
1 1 1   -2   -7   11 o  424.791   19.985  2266.43  212.001  2320.20  300.368  2213.06  299.264  427.635   28.287  417.462   28.884 10.17279 40.42869 
1 1 1   -2   -7   12 o  492.360   22.450  3049.10  276.026  3187.09  391.100  2912.15  389.624  500.680   31.440  478.118   32.832 22.56186 45.45817 
1 1 1   -2   -7   13 o  277.045   21.573  970.709  148.073  970.709  148.073   0.0000   0.0000  277.045   21.573  ?   ?  0.000000 21.57305 
1 1 1   -2   -7   14 o  849.824   37.182  9213.29  789.064  9461.14  1116.81  8966.23  1115.01  850.595   52.839  826.934   54.297 23.66107 75.76378 
1 1 1   -2   -7   15 o  608.481   27.174  4681.48  412.906  4796.75  584.876  4566.95  583.004  610.962   38.533  595.698   39.414 15.26373 55.12052 
1 1 1   -2   -7   16 o  119.623   12.125  181.009   35.718  172.690   53.898  187.524   47.695  115.654   19.345  121.189   16.163 -5.534378 25.20895 
1 1 1   -2   -7   17 o  622.864   27.934  4931.51  434.491  4998.74  615.617  4864.78  613.316  620.230   39.960  611.577   40.386 8.653687 56.81421 
1 1 1   -2   -7   18 o  391.134   27.227  1958.00  264.278   0.0000   0.0000  1958.00  264.278  ?   ?   391.134   27.227 0.000000 27.22711 
1 1 1   -2   -7   19 o  217.382   13.882  596.147   74.967  554.307  108.604  634.227  103.610  208.132   21.191  223.324   18.752 -15.19138 28.29693 
1 1 1   -2   -7   20 o  253.924   14.358  814.163   90.668  845.706  130.540  784.764  126.026  257.349   20.482  247.827   20.549 9.521408 29.01385 
1 1 1   -2   -7   21 o  128.859   12.010  210.499   38.202  209.003   57.612  211.673   51.035  127.050   18.720  128.423   16.279 -1.373947 24.80820 
1 1 1   -2   -7   22 o   93.952   20.324  116.812   46.297  116.812   46.297   0.0000   0.0000   93.952   20.324  ?   ?  0.000000 20.32381 
1 1 1   -2   -7   23 o  113.889   12.245  165.226   34.279  163.771   53.244  166.256   44.798  111.675   19.819  113.401   16.287 -1.726730 25.65231 
1 1 1   -2   -7   24 o  261.343   14.981  867.695   97.363  862.024  140.748  872.899  134.826  257.928   22.064  260.027   20.941 -2.099060 30.41995 
1 1 1   -2   -7   25 o  211.023   13.805  565.448   72.345  545.876  106.326  582.319   98.719  205.072   21.062  212.679   18.781 -7.606781 28.21903 
1 1 1   -2   -7   26 o  200.599   13.736  511.393   68.392  489.897  101.953  528.981   92.220  193.911   21.412  202.645   18.425 -8.734695 28.24786 
1 1 1   -2   -7   27 o  210.137   18.966  570.116   98.453   0.0000   0.0000  570.116   98.453  ?   ?   210.137   18.966 0.000000 18.96626 
1 1 1   -2   -7   28 o  115.415   13.399  170.797   37.900  176.014   64.432  168.037   46.866  114.458   23.334  113.566   17.052 0.8923569 28.90081 
1 1 1   -2   -7   29 o  498.628   18.926  3196.41  235.658  3293.00  293.470  3021.05  395.416  502.300   23.396  469.092   33.986 33.20764 41.26066 
1 1 1   -2   -7   30 o   76.732   15.357   77.608   28.399   70.877   55.312   80.018   33.094   74.845   25.102   77.520   17.509 -2.674805 30.60558 
1 1 1   -2   -7   31 o  109.118   26.938  165.527   72.960  165.527   72.960   0.0000   0.0000  109.118   26.938  ?   ?  0.000000 26.93771 
1 1 1   -2   -7   32 o  169.995   13.566  371.073   57.109  303.916   83.668  429.654   78.143  149.823   23.106  181.422   17.464 -31.59924 28.96348 
1 1 1   -2   -7   33 o  130.511   13.729  220.786   44.072  194.024   72.514  236.462   55.498  117.277   25.488  133.862   16.984 -16.58565 30.62895 
1 1 1   -2   -7   34 o   92.460   14.944  113.482   33.327  108.812   66.118  115.073   38.588   86.931   27.325   92.218   17.395 -5.286850 32.39150 
1 1 1   -2   -7   35 o  125.207   15.728  209.000   48.092  395.006  159.262  190.338   50.446  148.583   41.388  118.496   17.581 30.08688 44.96709 
1 1 1   -2   -7   36 o  194.807   14.951  503.879   72.177  400.243  105.464  595.180   98.989  163.386   26.777  207.824   19.294 -44.43805 33.00378 
1 1 1   -2   -7   37 o   74.526   17.447   78.270   31.897 -13.7655   73.849   99.378   35.366   54.571   24.807   84.223   17.391 -29.65228 30.29579 
1 1 1   -2   -7   38 o   74.250   30.212   77.601   87.946   77.601   87.946   0.0000   0.0000   74.250   30.212  ?   ?  0.000000 30.21158 
1 1 1   -2   -7   39 o   44.571   16.357   23.987   23.856   56.820   84.863   21.170   24.858   68.017   28.829   43.553   16.551 24.46360 33.24209 
1 1 1   -2   -7   40 o   45.406   16.835   25.453   25.383 -191.3245  214.931   28.519   25.561   63.886   31.974   46.962   16.978 16.92382 36.20222 
1 1 1   -2   -6    1 o  713.399   31.448  6473.62  560.244  6770.58  792.814  6177.42  791.796  721.945   44.189  688.155   46.346 33.79059 64.03596 
1 1 1   -2   -6    2 o  613.966   27.503  4781.81  421.677  4832.65  596.486  4731.03  596.195  611.105   39.296  604.392   39.723 6.713196 55.87551 
1 1 1   -2   -6    3 o  532.409   24.268  3590.39  322.651  3541.28  456.306  3639.49  456.290  523.636   35.099  531.128   34.591 -7.492249 49.27995 
1 1 1   -2   -6    4 o  439.185   20.652  2437.47  226.493  2395.03  320.301  2479.92  320.316  431.572   29.905  439.413   29.360 -7.840576 41.90860 
1 1 1   -2   -6    5 o  914.341   62.477 11764.32  1417.97 11764.32  1417.97   0.0000   0.0000  914.341   62.477  ?   ?  0.000000 62.47662 
1 1 1   -2   -6    6 o  362.914   17.848  1661.53  161.753  1612.02  228.827  1710.99  228.680  354.535   26.028  365.605   25.201 -11.06961 36.22955 
1 1 1   -2   -6    7 o  198.249   12.608  495.049   62.095  476.713   87.985  513.245   87.649  193.558   18.425  201.054   17.636 -7.496063 25.50515 
1 1 1   -2   -6    8 o  351.104   17.400  1551.08  152.562  1534.45  215.941  1567.65  215.572  346.925   25.095  350.767   24.770 -3.841583 35.26060 
1 1 1   -2   -6    9 o  218.495   13.195  600.373   71.656  585.513  101.648  615.054  101.030  214.910   19.141  220.406   18.528 -5.496552 26.63931 
1 1 1   -2   -6   10 o  311.546   22.923  1229.28  177.085   0.0000   0.0000  1229.28  177.085  ?   ?   311.546   22.923 0.000000 22.92291 
1 1 1   -2   -6   11 o  344.674   17.202  1490.11  148.058  1440.58  209.680  1539.36  209.091  337.132   25.086  348.742   24.158 -11.61057 34.82693 
1 1 1   -2   -6   12 o  539.287   24.431  3662.95  329.016  3691.47  465.754  3634.54  464.845  537.916   34.861  533.664   35.076 4.251343 49.45328 
1 1 1   -2   -6   13 o  635.729   28.253  5104.16  448.533  5190.33  634.940  5018.33  633.703  636.221   40.171  625.287   40.808 10.93445 57.26231 
1 1 1   -2   -6   14 o  830.947   53.067  9010.47  1095.42  9010.47  1095.42   0.0000   0.0000  830.947   53.067  ?   ?  0.000000 53.06736 
1 1 1   -2   -6   15 o  869.034   38.123  9643.62  827.316  9448.43  1170.17  9838.69  1169.83  848.144   55.557  866.461   54.341 -18.31708 77.71409 
1 1 1   -2   -6   16 o  291.067   15.999  1065.63  115.843  899.825  164.694  1227.99  162.972  265.874   25.103  311.727   21.059 -45.85257 32.76648 
1 1 1   -2   -6   17 o  643.476   28.598  5253.35  459.538  5420.50  651.108  5087.46  648.669  647.361   40.480  626.421   41.706 20.93976 58.12067 
1 1 1   -2   -6   18 o  233.011   19.496  688.611  112.397   0.0000   0.0000  688.611  112.397  ?   ?   233.011   19.496 0.000000 19.49559 
1 1 1   -2   -6   20 o  364.969   17.780  1680.89  162.047  1767.29  231.021  1597.20  227.361  371.521   25.047  352.769   25.992 18.75171 36.09659 
1 1 1   -2   -6   21 o  276.290   15.467  965.282  106.286  916.079  152.185  1012.14  148.505  267.082   23.043  281.382   21.292 -14.29987 31.37456 
1 1 1   -2   -6   22 o  180.887   12.657  413.623   56.814  424.577   83.528  404.193   77.503  182.000   18.642  177.762   17.694 4.237762 25.70218 
1 1 1   -2   -6   23 f  241.574   13.948  738.702   83.781  790.840  121.408  691.300  115.762  248.330   19.741  231.934   20.189 16.39536 28.23614 
1 1 1   -2   -6   24 o   74.730   21.605   73.282   42.600   73.282   42.600   0.0000   0.0000   74.730   21.605  ?   ?  0.000000 21.60535 
1 1 1   -2   -6   25 o  190.220   13.175  458.853   62.197  458.498   92.299  459.149   84.181  188.305   19.931  189.018   18.054 -0.7125397 26.89238 
1 1 1   -2   -6   26 o  102.546   13.362  135.012   33.404  108.245   55.285  150.403   41.922   89.827   24.132  107.710   16.078 -17.88379 28.99772 
1 1 1   -2   -6   27 o  484.712   23.703  3047.96  286.908  2813.27  408.196  3277.11  403.345  453.251   36.371  493.216   32.938 -39.96475 49.06861 
1 1 1   -2   -6   28 o  358.525   26.253  1692.76  233.411   0.0000   0.0000  1692.76  233.411  ?   ?   358.525   26.253 0.000000 26.25319 
1 1 1   -2   -6   29 o  309.853   17.032  1228.91  131.284  1205.78  191.928  1249.25  179.975  302.277   25.669  309.043   23.497 -6.765839 34.79937 
1 1 1   -2   -6   30 o  166.559   13.440  353.708   55.425  285.359   79.590  418.063   77.230  146.695   22.440  179.977   17.401 -33.28198 28.39626 
1 1 1   -2   -6   31 o  145.512   12.832  270.316   46.150  277.030   71.580  265.540   60.374  145.009   20.325  142.959   17.261 2.050735 26.66602 
1 1 1   -2   -6   32 o  344.606   27.890  1611.31  237.945  1611.31  237.945   0.0000   0.0000  344.606   27.890  ?   ?  0.000000 27.88971 
1 1 1   -2   -6   33 o  166.732   13.452  357.147   55.531  336.962   84.038  372.791   73.983  158.385   21.828  168.617   17.841 -10.23244 28.19158 
1 1 1   -2   -6   34 o   72.518   16.070   70.727   28.336   62.743   62.112   72.825   31.843   71.886   26.392   73.257   17.621 -1.371025 31.73404 
1 1 1   -2   -6   35 o   77.467   15.787   80.936   29.503   87.464   65.471   79.273   33.049   79.450   27.304   76.075   17.725 3.375282 32.55269 
1 1 1   -2   -6   36 o   62.272   17.218   53.337   27.673  318.218  155.702   44.697   28.121  130.940   42.019   57.524   17.778 73.41597 45.62514 
1 1 1   -2   -6   37 o   46.685   16.075   27.335   22.698   14.847   69.647   28.819   24.009   59.077   25.593   47.873   16.529 11.20363 30.46670 
1 1 1   -2   -6   38 o  147.907   14.138  291.764   51.585  313.484   90.405  281.279   62.814  143.156   26.256  142.437   18.066 0.7194214 31.87119 
1 1 1   -2   -6   39 o  128.623   15.582  226.028   49.028  182.483   95.902  241.436   57.046  100.325   33.034  131.289   17.864 -30.96314 37.55469 
1 1 1   -2   -6   40 o   68.571   29.590   55.489   92.372   55.489   92.372   0.0000   0.0000   68.571   29.590  ?   ?  0.000000 29.59003 
1 1 1   -2   -6   41 o   29.824   13.089  -1.8535   18.726   1.8313   94.305  -2.0047   19.106   58.904   27.236   30.057   13.205 28.84620 30.26863 
1 1 1   -2   -5    1 o  534.278   34.897  3649.31  463.032   0.0000   0.0000  3649.31  463.032  ?   ?   534.278   34.897 0.000000 34.89677 
1 1 1   -2   -5    2 o  604.145   27.043  4615.84  407.988  4579.13  576.975  4652.55  576.990  596.523   38.947  601.452   38.621 -4.929688 54.84876 
1 1 1   -2   -5    3 o  517.677   23.613  3382.69  305.251  3409.89  431.781  3355.52  431.598  515.846   33.704  511.596   33.977 4.249573 47.85804 
1 1 1   -2   -5    4 o  646.397   28.892  5316.15  466.361  5270.52  659.529  5361.79  659.540  635.993   41.759  641.737   41.376 -5.744873 58.78629 
1 1 1   -2   -5    5 o  806.573   35.887  8406.51  722.831  8197.25  1021.98  8615.98  1022.49  779.942   52.783  801.218   51.375 -21.27576 73.65769 
1 1 1   -2   -5    6 o  189.247   17.655  455.311   82.471  455.311   82.471   0.0000   0.0000  189.247   17.655  ?   ?  0.000000 17.65500 
1 1 1   -2   -5    7 o  557.246   25.388  3957.88  353.286  3845.82  499.560  4069.99  499.684  541.945   37.137  558.332   36.031 -16.38666 51.74364 
1 1 1   -2   -5    8 o  308.560   16.018  1201.06  122.999  1180.20  174.092  1221.85  173.803  304.192   23.090  309.667   22.632 -5.475464 32.33252 
1 1 1   -2   -5    9 o  430.478   20.338  2337.77  218.627  2293.59  309.325  2381.86  309.046  423.060   29.463  431.383   28.855 -8.322449 41.23955 
1 1 1   -2   -5   10 o  492.953   22.682  3065.35  279.216  3070.92  395.114  3059.79  394.629  489.779   32.490  488.880   32.510 0.8987427 45.96171 
1 1 1   -2   -5   11 o  211.099   18.467  563.791   96.371   0.0000   0.0000  563.791   96.371  ?   ?   211.099   18.467 0.000000 18.46714 
1 1 1   -2   -5   12 o  537.576   24.406  3640.70  327.632  3490.56  463.426  3790.73  463.259  522.577   35.727  545.194   34.200 -22.61749 49.45735 
1 1 1   -2   -5   13 o  303.120   15.944  1154.56  120.262  1062.20  170.351  1246.31  169.803  289.551   23.769  314.135   21.781 -24.58423 32.23938 
1 1 1   -2   -5   14 o  305.927   15.831  1175.84  120.529  1220.24  171.308  1132.32  169.611  310.751   22.222  299.179   22.876 11.57266 31.89250 
1 1 1   -2   -5   15 o  714.070   31.535  6459.10  562.316  6447.06  795.800  6471.10  794.671  706.709   45.332  708.112   45.176 -1.402527 63.99908 
1 1 1   -2   -5   16 o  235.815   19.904  703.501  116.113  703.501  116.113   0.0000   0.0000  235.815   19.904  ?   ?  0.000000 19.90381 
1 1 1   -2   -5   17 o   81.814   13.555   86.058   26.724   27.071   41.396  128.209   34.993   55.903   21.331  100.137   14.409 -44.23388 25.74142 
1 1 1   -2   -5   18 o  461.121   31.126  2718.37  356.322  2718.37  356.322   0.0000   0.0000  461.121   31.126  ?   ?  0.000000 31.12624 
1 1 1   -2   -5   19 o  262.178   14.762  865.461   96.253  855.365  137.841  875.070  134.465  259.437   21.469  262.593   20.673 -3.156067 29.80432 
1 1 1   -2   -5   20 o  236.982   14.031  707.641   82.661  711.688  119.348  703.909  114.598  236.476   20.411  235.325   19.682 1.150314 28.35426 
1 1 1   -2   -5   21 o  426.409   20.087  2302.14  213.891  2400.04  304.707  2207.03  300.315  431.539   28.435  413.362   29.283 18.17758 40.81711 
1 1 1   -2   -5   22 o  256.449   14.785  831.307   94.282  808.573  135.676  852.538  131.112  251.096   21.856  258.283   20.497 -7.187088 29.96298 
1 1 1   -2   -5   23 o  276.732   15.746  970.716  108.365  879.590  155.263  1057.27  151.315  260.738   24.119  287.120   21.255 -26.38235 32.14826 
1 1 1   -2   -5   24 o  242.654   14.414  746.059   86.948  737.691  125.968  753.674  120.163  239.239   21.308  242.266   20.042 -3.026703 29.25283 
1 1 1   -2   -5   25 o  326.506   25.008  1387.41  202.350  1387.41  202.350   0.0000   0.0000  326.506   25.008  ?   ?  0.000000 25.00771 
1 1 1   -2   -5   26 o  196.014   13.467  487.399   65.518  473.018   97.120  499.410   88.755  191.062   20.686  197.158   18.234 -6.095947 27.57495 
1 1 1   -2   -5   27 o  223.356   14.638  634.279   81.193  564.675  119.547  693.876  110.620  207.756   23.453  232.179   19.253 -24.42339 30.34360 
1 1 1   -2   -5   28 o  332.369   17.456  1411.75  144.374  1409.41  208.444  1413.91  200.161  327.780   25.671  328.982   24.541 -1.201965 35.51411 
1 1 1   -2   -5   29 o  173.087   17.678  386.155   75.338   0.0000   0.0000  386.155   75.338  ?   ?   173.087   17.678 0.000000 17.67824 
1 1 1   -2   -5   30 o  263.622   15.623  886.860  102.389  861.470  151.338  908.293  139.043  256.140   23.938  264.422   21.236 -8.281677 32.00000 
1 1 1   -2   -5   31 o   92.490   15.305  111.584   34.112   47.322   64.471  136.570   40.201   69.536   26.600  102.290   16.284 -32.75405 31.18823 
1 1 1   -2   -5   32 o  219.138   13.851  612.532   75.409  569.759  105.023  658.052  108.342  208.752   20.408  224.901   19.484 -16.14912 28.21494 
1 1 1   -2   -5   33 o   67.199   26.293   41.685   64.049   41.685   64.049   0.0000   0.0000   67.199   26.293  ?   ?  0.000000 26.29299 
1 1 1   -2   -5   34 o  132.479   13.720  226.756   44.730  214.803   74.902  233.382   55.766  124.354   24.987  133.197   17.165 -8.842613 30.31523 
1 1 1   -2   -5   35 o  138.120   13.946  247.848   47.443  211.111   78.119  269.318   59.718  121.499   26.494  142.692   17.100 -21.19290 31.53311 
1 1 1   -2   -5   36 f   86.107   15.015   99.066   31.112  158.701   68.430   83.527   34.930  104.034   26.320   77.860   18.278 26.17365 32.04455 
1 1 1   -2   -5   37 o  119.650   15.861  191.919   46.222  452.007  173.979  172.167   47.945  155.349   43.252  112.325   17.677 43.02382 46.72529 
1 1 1   -2   -5   38 o  142.024   13.826  267.003   48.414  319.733   87.275  243.564   58.188  147.306   24.593  133.073   17.970 14.23286 30.45850 
1 1 1   -2   -5   39 o   76.253   17.863   82.375   33.417   3.9482  100.406   92.144   35.437   64.405   29.137   80.654   18.046 -16.24880 34.27282 
1 1 1   -2   -5   40 o   50.986   17.315   34.699   26.320   53.668   86.654   32.771   27.625   68.768   29.138   50.267   17.708 18.50069 34.09702 
1 1 1   -2   -5   41 o   62.351   28.871  -0.6391  106.526  -0.6391  106.526   0.0000   0.0000   62.351   28.871  ?   ?  0.000000 28.87146 
1 1 1   -2   -5   42 o   59.763   17.681   52.694   28.239  113.114  105.381   48.020   29.311   77.082   32.368   57.198   18.218 19.88365 37.14242 
1 1 1   -2   -4    1 o  629.287   27.837  5000.81  437.436  5281.10  619.095  4721.36  618.161  642.196   38.787  606.160   41.080 36.03625 56.49783 
1 1 1   -2   -4    2 o  711.620   45.509  6549.61  804.478   0.0000   0.0000  6549.61  804.478  ?   ?   711.620   45.509 0.000000 45.50879 
1 1 1   -2   -4    3 o  246.986   13.906  766.560   85.421  758.162  120.845  774.946  120.762  244.800   19.942  247.552   19.698 -2.751190 28.02983 
1 1 1   -2   -4    4 o  762.384   33.645  7410.81  640.532  7452.97  905.962  7368.67  905.736  754.958   48.308  750.464   48.591 4.494080 68.51854 
1 1 1   -2   -4    5 o  302.051   15.722  1148.39  118.177  1101.53  167.118  1195.25  167.138  294.470   22.907  307.021   21.945 -12.55072 31.72198 
1 1 1   -2   -4    6 o  720.898   32.111  6667.15  578.060  6457.59  817.237  6876.97  817.764  697.435   47.202  721.190   45.643 -23.75446 65.66035 
1 1 1   -2   -4    7 o  201.632   18.136  516.776   90.342  516.776   90.342   0.0000   0.0000  201.632   18.136  ?   ?  0.000000 18.13635 
1 1 1   -2   -4    8 o  358.258   17.677  1618.54  158.143  1554.71  223.679  1682.33  223.618  348.259   25.905  362.712   24.838 -14.45273 35.88899 
1 1 1   -2   -4    9 o  272.699   14.760  937.103  100.140  818.665  141.556  1055.75  141.682  253.212   22.625  288.483   19.787 -35.27103 30.05690 
1 1 1   -2   -4   10 o  385.345   18.645  1869.43  179.419  1782.14  253.785  1956.66  253.689  373.517   27.400  391.873   26.073 -18.35620 37.82251 
1 1 1   -2   -4   11 o  323.729   16.545  1318.69  133.305  1216.09  188.594  1421.14  188.451  309.370   24.615  335.002   22.660 -25.63223 33.45732 
1 1 1   -2   -4   12 o   85.565   15.747   94.663   32.406   0.0000   0.0000   94.663   32.406  ?   ?    85.565   15.747 0.000000 15.74652 
1 1 1   -2   -4   13 o  626.047   27.931  4949.65  436.664  4825.92  617.664  5073.27  617.407  613.097   40.573  629.121   39.500 -16.02350 56.62498 
1 1 1   -2   -4   14 o  224.241   13.514  631.725   75.322  604.477  107.107  658.385  105.945  218.540   19.842  228.310   18.748 -9.769135 27.29851 
1 1 1   -2   -4   15 o  586.578   26.352  4337.94  386.000  4289.92  546.283  4385.81  545.490  579.157   37.982  585.797   37.486 -6.640564 53.36560 
1 1 1   -2   -4   16 o  142.684   11.669  256.394   41.213  278.672   59.362  235.665   57.263  148.223   16.308  136.017   17.246 12.20555 23.73533 
1 1 1   -2   -4   18 o  719.210   31.874  6574.92  572.462  6221.76  809.670  6927.93  809.496  690.957   47.208  730.908   44.564 -39.95117 64.91920 
1 1 1   -2   -4   19 o  138.848   12.042  243.244   41.340  237.134   61.143  248.390   56.107  136.110   18.466  139.711   16.394 -3.601334 24.69280 
1 1 1   -2   -4   20 f  165.202   12.167  343.863   49.842  363.500   73.327  327.000   67.953  169.072   17.627  160.331   17.243 8.741211 24.65840 
1 1 1   -2   -4   21 o  231.614   13.926  676.118   80.169  669.152  115.576  682.578  111.296  229.191   20.407  231.711   19.413 -2.520264 28.16638 
1 1 1   -2   -4   22 o  244.296   20.065  760.904  121.323   0.0000   0.0000  760.904  121.323  ?   ?   244.296   20.065 0.000000 20.06458 
1 1 1   -2   -4   23 o  278.030   15.383  977.909  106.389  968.107  152.810  987.130  148.208  274.615   22.480  277.621   21.547 -3.005493 31.13881 
1 1 1   -2   -4   24 o   75.289   13.544   73.552   24.528   68.653   42.252   76.043   30.123   72.775   21.650   76.118   16.336 -3.342850 27.12177 
1 1 1   -2   -4   25 o  371.375   18.676  1759.35  172.646  1755.77  247.214  1762.77  241.212  366.698   27.191  367.870   26.434 -1.172577 37.92199 
1 1 1   -2   -4   26 o  132.806   19.747  229.831   63.495  229.831   63.495   0.0000   0.0000  132.806   19.747  ?   ?  0.000000 19.74658 
1 1 1   -2   -4   27 o   88.157   14.072  100.587   29.937   55.800   50.068  125.510   37.350   68.752   23.862   98.332   15.741 -29.58019 28.58686 
1 1 1   -2   -4   28 o  175.803   13.661  392.864   59.501  340.786   90.030  433.253   79.285  160.981   23.054  183.667   17.498 -22.68581 28.94236 
1 1 1   -2   -4   29 o  325.377   17.365  1352.59  140.589  1326.71  203.235  1376.33  194.685  317.932   25.822  324.823   24.174 -6.891144 35.37171 
1 1 1   -2   -4   30 o   65.569   15.733   56.776   25.432   64.059   57.382   54.996   28.371   73.246   25.539   64.562   17.263 8.683807 30.82627 
1 1 1   -2   -4   31 o  223.246   14.008  633.988   77.696  700.258  119.421  585.348  102.310  232.163   20.820  212.640   19.484 19.52301 28.51470 
1 1 1   -2   -4   32 o  207.494   14.169  548.990   72.977  572.703  114.506  532.770   94.702  208.836   22.302  202.753   18.923 6.083344 29.24808 
1 1 1   -2   -4   33 o  155.801   13.837  310.889   53.275  317.263   90.541  307.514   65.889  153.528   24.435  153.819   17.463 -0.2910004 30.03360 
1 1 1   -2   -4   34 o  271.295   15.198  945.756  102.548  873.188  137.210  1037.58  154.346  256.985   21.581  279.764   22.277 -22.77948 31.01636 
1 1 1   -2   -4   35 o   92.028   15.838  112.165   35.084   90.209   70.922  119.279   40.369   82.361   28.411   94.329   17.790 -11.96741 33.52137 
1 1 1   -2   -4   36 o   96.615   15.231  123.655   35.530  114.626   70.737  126.702   41.089   89.326   28.286   96.943   17.622 -7.617348 33.32618 
1 1 1   -2   -4   37 o   69.631   16.662   66.332   28.584   39.349   68.715   71.979   31.433   65.675   26.712   72.319   17.577 -6.644028 31.97604 
1 1 1   -2   -4   38 o   64.422   17.637   57.582   29.203  -9.4588  171.296   59.589   29.637   78.700   36.501   65.490   17.700 13.21017 40.56668 
1 1 1   -2   -4   39 o   53.725   17.118   38.930   25.876  133.368  195.141   37.240   26.107   93.445   41.572   52.829   17.228 40.61607 45.00068 
1 1 1   -2   -4   40 o   57.303   17.393   45.704   27.070   3.5180   85.408   50.415   28.542   60.530   27.173   59.904   17.788 0.6256790 32.47750 
1 1 1   -2   -4   41 o  129.074   15.565  228.307   49.158  234.629  103.227  226.453   55.904  112.362   33.934  126.562   18.213 -14.20022 38.51245 
1 1 1   -2   -4   42 o   63.694   29.543   5.0187  112.223   5.0187  112.223   0.0000   0.0000   63.694   29.543  ?   ?  0.000000 29.54268 
1 1 1   -2   -3    1 o  551.750   24.871  3833.29  342.673  3880.24  484.699  3786.39  484.527  551.680   35.369  544.799   35.814 6.880981 50.33555 
1 1 1   -2   -3    2 o  481.315   22.124  2912.79  265.913  2960.88  376.155  2864.75  375.960  482.602   31.383  474.528   31.913 8.074341 44.75825 
1 1 1   -2   -3    3 o  127.669   15.576  207.264   48.627   0.0000   0.0000  207.264   48.627  ?   ?   127.669   15.576 0.000000 15.57553 
1 1 1   -2   -3    4 o  987.978   43.190 12562.40  1065.58 13059.94  1507.78 12065.95  1506.13  991.009   61.227  949.893   63.866 41.11633 88.47350 
1 1 1   -2   -3    5 o  147.981   11.293  275.655   41.417  270.491   58.630  280.798   58.514  145.923   16.372  148.765   16.003 -2.842224 22.89401 
1 1 1   -2   -3    6 o  491.172   22.535  3045.88  276.397  3162.57  391.205  2929.57  390.565  496.878   31.694  477.663   32.945 19.21472 45.71482 
1 1 1   -2   -3    7 o  818.213   36.394  8657.31  743.604  8416.98  1051.33  8897.91  1051.90  789.603   53.637  813.704   52.040 -24.10120 74.73326 
1 1 1   -2   -3    8 o  436.162   29.763  2450.68  322.239  2450.68  322.239   0.0000   0.0000  436.162   29.763  ?   ?  0.000000 29.76327 
1 1 1   -2   -3    9 o  588.950   26.622  4427.11  391.539  4201.60  553.474  4653.03  553.965  565.285   39.456  596.519   37.377 -31.23413 54.34896 
1 1 1   -2   -3   10 f  522.646   23.953  3465.03  312.626  3425.88  442.227  3504.14  442.014  514.261   34.638  520.354   34.207 -6.093140 48.68133 
1 1 1   -2   -3   11 o  111.741   11.203  157.892   30.840  106.866   43.893  207.644   43.342   90.372   19.980  127.956   13.782 -37.58401 24.27236 
1 1 1   -2   -3   12 o  293.845   15.532  1085.71  113.567  1068.65  160.875  1102.67  160.343  290.429   22.354  295.123   21.913 -4.694183 31.30299 
1 1 1   -2   -3   13 o  172.041   17.123  374.853   72.585   0.0000   0.0000  374.853   72.585  ?   ?   172.041   17.123 0.000000 17.12276 
1 1 1   -2   -3   14 o  497.932   22.788  3118.48  283.355  2814.80  400.622  3422.47  400.828  469.689   34.396  519.125   31.062 -49.43619 46.34586 
1 1 1   -2   -3   15 o  606.196   27.100  4634.64  410.237  4647.87  580.599  4621.45  579.728  602.745   38.780  601.004   38.835 1.741089 54.88196 
1 1 1   -2   -3   16 o  724.709   46.222  6777.78  832.127   0.0000   0.0000  6777.78  832.127  ?   ?   724.709   46.222 0.000000 46.22162 
1 1 1   -2   -3   17 o  968.019   62.169 12405.41  1494.87 12405.41  1494.87   0.0000   0.0000  968.019   62.169  ?   ?  0.000000 62.16878 
1 1 1   -2   -3   18 o  521.285   34.349  3471.30  444.626  3471.30  444.626   0.0000   0.0000  521.285   34.349  ?   ?  0.000000 34.34866 
1 1 1   -2   -3   19 o  229.610   13.436  662.694   76.702  715.076  110.365  613.756  106.675  237.822   18.735  220.078   19.616 17.74304 27.12565 
1 1 1   -2   -3   20 o  591.331   26.676  4434.22  393.921  4454.25  558.159  4414.34  556.024  586.771   38.303  584.113   38.332 2.658142 54.18883 
1 1 1   -2   -3   21 o  279.639   14.950  984.886  104.018  1050.92  149.482  922.892  144.835  287.720   20.949  269.360   21.717 18.36023 30.17407 
1 1 1   -2   -3   22 o  395.408   19.427  1975.51  191.827  1889.90  272.791  2059.24  269.802  383.083   28.725  400.608   27.130 -17.52487 39.51130 
1 1 1   -2   -3   23 o  299.891   22.657  1151.00  168.426   0.0000   0.0000  1151.00  168.426  ?   ?   299.891   22.657 0.000000 22.65748 
1 1 1   -2   -3   24 o  121.539   12.337  187.570   36.924  175.635   56.806  196.303   48.589  115.917   20.368  123.663   16.118 -7.746727 25.97335 
1 1 1   -2   -3   25 o   96.617   12.495  119.389   29.440  130.659   48.284  112.719   37.144   99.570   20.111   93.019   16.599 6.550346 26.07686 
1 1 1   -2   -3   26 o  297.849   16.234  1127.09  120.287  1101.49  173.125  1150.99  167.250  291.491   23.997  298.625   22.595 -7.133423 32.96064 
1 1 1   -2   -3   27 o  326.683   25.144  1389.57  203.542  1389.57  203.542   0.0000   0.0000  326.683   25.144  ?   ?  0.000000 25.14352 
1 1 1   -2   -3   28 f   95.009   13.358  116.113   30.817  117.382   53.073  115.468   37.852   93.638   22.890   94.010   16.737 -0.3723450 28.35607 
1 1 1   -2   -3   29 o  119.196   13.216  181.521   38.677  170.193   64.837  187.779   48.189  112.742   23.778  120.534   16.439 -7.792023 28.90716 
1 1 1   -2   -3   30 o  102.326   14.271  134.978   35.473   89.297   62.744  156.440   43.007   83.149   26.673  109.860   16.159 -26.71104 31.18591 
1 1 1   -2   -3   31 o  145.978   13.582  271.816   48.943  259.040   81.374  279.057   61.262  139.351   24.266  147.067   16.994 -7.716293 29.62501 
1 1 1   -2   -3   32 o  114.337   16.876  170.128   46.736   0.0000   0.0000  170.128   46.736  ?   ?   114.337   16.876 0.000000 16.87596 
1 1 1   -2   -3   33 o  102.901   14.152  136.846   35.403  187.478   73.067  121.313   40.471  117.229   25.671   95.921   17.542 21.30775 31.09196 
1 1 1   -2   -3   34 o  114.024   14.603  168.277   40.624  139.491   77.978  179.001   47.593  100.184   29.308  117.030   16.764 -16.84572 33.76406 
1 1 1   -2   -3   35 o  146.388   14.332  276.558   51.719  224.624   84.401  307.784   65.445  126.471   27.508  153.374   17.395 -26.90320 32.54610 
1 1 1   -2   -3   36 o  212.092   24.960  618.589  129.666  618.589  129.666   0.0000   0.0000  212.092   24.960  ?   ?  0.000000 24.95985 
1 1 1   -2   -3   37 o   92.750   15.410  114.521   34.440  102.821   73.560  117.805   38.975   85.253   28.947   93.379   17.353 -8.126221 33.74969 
1 1 1   -2   -3   38 o   84.987   16.314   98.022   33.364   66.480   76.144  105.517   37.117   73.940   28.741   87.755   17.551 -13.81532 33.67583 
1 1 1   -2   -3   39 o  210.508   22.974  630.575  118.807  630.575  118.807   0.0000   0.0000  210.508   22.974  ?   ?  0.000000 22.97373 
1 1 1   -2   -3   40 o   41.183   15.486   18.005   21.624 -28.3103   84.095   21.284   22.376   56.015   25.837   43.212   15.844 12.80236 30.30828 
1 1 1   -2   -3   41 f  101.805   16.372  143.022   40.212  134.677   99.087  144.667   43.998   88.520   33.176  101.416   18.034 -12.89551 37.76044 
1 1 1   -2   -3   42 o   42.024   15.892   19.466   22.848   35.055   98.652   18.582   23.487   66.844   29.657   41.863   16.045 24.98167 33.71887 
1 1 1   -2   -3   43 o  139.884   41.711  458.139  156.697  458.139  156.697   0.0000   0.0000  139.884   41.711  ?   ?  0.000000 41.71073 
1 1 1   -2   -2    1 o  646.473   28.664  5274.83  462.737  5236.50  654.349  5313.17  654.471  639.237   41.211  644.038   40.906 -4.801575 58.06612 
1 1 1   -2   -2    2 o  314.290   16.076  1240.86  125.747  1268.33  177.896  1213.42  177.770  316.830   22.634  309.775   23.148 7.055725 32.37455 
1 1 1   -2   -2    3 o  167.824   11.680  354.044   48.646  358.317   68.821  349.779   68.772  168.269   16.594  166.203   16.801 2.065460 23.61424 
1 1 1   -2   -2    4 o  547.527   35.630  3830.16  484.508   0.0000   0.0000  3830.16  484.508  ?   ?   547.527   35.630 0.000000 35.62997 
1 1 1   -2   -2    5 o  373.592   18.112  1752.22  168.968  1780.69  239.070  1723.81  238.843  374.730   25.703  368.576   26.119 6.153473 36.64513 
1 1 1   -2   -2    6 o  803.984   35.439  8263.33  711.510  8182.82  1006.16  8343.85  1006.29  788.592   51.374  796.761   50.841 -8.168396 72.27801 
1 1 1   -2   -2    7 o  422.138   19.972  2245.54  210.536  2252.20  297.857  2238.89  297.628  419.841   28.580  418.572   28.647 1.269531 40.46538 
1 1 1   -2   -2    8 o  545.044   24.842  3773.58  338.123  3713.79  478.183  3833.36  478.174  534.632   36.027  543.552   35.422 -8.920044 50.52389 
1 1 1   -2   -2    9 o  305.423   22.794  1189.85  172.597  1189.85  172.597   0.0000   0.0000  305.423   22.794  ?   ?  0.000000 22.79406 
1 1 1   -2   -2   10 o  188.796   12.377  449.000   58.032  408.588   82.093  489.365   82.045  179.023   18.636  196.421   16.891 -17.39816 25.15197 
1 1 1   -2   -2   11 o  359.003   17.707  1622.28  158.742  1548.53  224.562  1695.93  224.428  348.213   26.013  364.859   24.779 -16.64621 35.92583 
1 1 1   -2   -2   12 o  232.944   13.678  682.424   79.219  634.896  112.252  729.583  111.814  223.660   20.320  240.146   18.795 -16.48578 27.67965 
1 1 1   -2   -2   13 f  430.724   20.292  2332.15  218.261  2167.96  308.675  2496.32  308.661  412.555   30.171  443.426   28.019 -30.87054 41.17463 
1 1 1   -2   -2   14 o  746.711   32.873  7071.95  612.971  6832.49  866.862  7311.42  866.883  726.131   48.078  752.187   46.377 -26.05554 66.80109 
1 1 1   -2   -2   15 f  798.739   50.827  8278.66  1008.52   0.0000   0.0000  8278.66  1008.52  ?   ?   798.739   50.827 0.000000 50.82687 
1 1 1   -2   -2   16 f  796.950   34.930  8061.67  695.159  8118.90  983.662  8004.57  982.545  791.615   50.017  785.820   50.335 5.795044 70.95998 
1 1 1   -2   -2   17 o  1133.00   49.608 16578.77  1403.56 16548.85  1985.38 16608.66  1984.50  1109.93   72.019  1112.13   71.841 -2.203247 101.7248 
1 1 1   -2   -2   18 o  376.845   18.472  1782.18  173.828  1720.66  246.578  1842.96  245.089  368.271   27.001  381.436   25.884 -13.16553 37.40330 
1 1 1   -2   -2   19 o  200.759   18.871  510.599   93.495  510.599   93.495   0.0000   0.0000  200.759   18.871  ?   ?  0.000000 18.87082 
1 1 1   -2   -2   20 o  301.638   16.024  1144.87  120.264  1117.20  171.349  1171.74  168.835  296.677   23.316  304.063   22.393 -7.385712 32.32817 
1 1 1   -2   -2   21 o  209.789   12.765  553.627   66.554  628.676   96.888  486.575   91.580  222.917   17.547  195.694   18.979 27.22276 25.84737 
1 1 1   -2   -2   22 o  412.697   19.870  2150.10  204.775  2122.41  290.989  2177.26  288.223  406.630   28.844  412.131   28.174 -5.500977 40.32073 
1 1 1   -2   -2   23 o  351.206   18.074  1561.01  157.981  1440.25  224.853  1678.73  222.010  334.483   27.154  362.182   24.694 -27.69888 36.70369 
1 1 1   -2   -2   24 o  312.072   23.293  1248.95  180.217   0.0000   0.0000  1248.95  180.217  ?   ?   312.072   23.293 0.000000 23.29332 
1 1 1   -2   -2   25 o  140.585   12.296  250.374   42.734  251.007   65.106  249.896   56.644  139.346   19.222  139.638   16.567 -0.2914429 25.37631 
1 1 1   -2   -2   26 o  359.253   18.536  1644.45  165.727  1551.68  236.769  1733.56  232.048  344.696   27.742  365.626   25.576 -20.93057 37.73231 
1 1 1   -2   -2   27 o  423.876   20.864  2298.10  220.843  2192.35  314.801  2400.58  309.894  407.064   31.206  427.523   29.202 -20.45923 42.73844 
1 1 1   -2   -2   28 o  371.803   18.504  1761.07  171.803  1792.86  246.316  1730.95  239.749  370.272   26.821  363.948   26.563 6.323212 37.74857 
1 1 1   -2   -2   29 o  188.223   13.466  449.528   62.878  435.886   94.399  460.407   84.301  183.256   21.007  189.316   18.050 -6.060410 27.69714 
1 1 1   -2   -2   30 o  240.753   15.276  737.399   91.365  652.780  134.506  809.889  124.494  223.178   24.540  250.717   20.052 -27.53955 31.69060 
1 1 1   -2   -2   31 f  171.920   14.145  376.457   60.190  306.067   93.936  425.486   78.398  151.366   25.775  181.945   17.470 -30.57965 31.13773 
1 1 1   -2   -2   32 o  214.272   14.659  584.725   77.966  553.532  119.978  607.526  102.577  205.177   23.862  216.964   19.128 -11.78784 30.58268 
1 1 1   -2   -2   33 o  222.413   19.573  640.590  107.602   0.0000   0.0000  640.590  107.602  ?   ?   222.413   19.573 0.000000 19.57297 
1 1 1   -2   -2   34 o  284.677   17.007  1041.20  120.347  942.403  178.555  1123.44  162.911  264.940   27.383  292.743   22.456 -27.80316 35.41356 
1 1 1   -2   -2   35 o  145.895   13.850  273.388   49.855  302.070   89.976  260.681   59.889  149.065   25.060  141.329   17.333 7.736572 30.47042 
1 1 1   -2   -2   36 o  159.307   13.977  327.057   55.042  378.556   98.493  303.671   66.373  166.560   24.404  151.993   17.826 14.56740 30.22106 
1 1 1   -2   -2   37 o  125.063   30.012  229.831   92.534  229.831   92.534   0.0000   0.0000  125.063   30.012  ?   ?  0.000000 30.01202 
1 1 1   -2   -2   38 o  144.953   17.633  281.034   62.511   0.0000   0.0000  281.034   62.511  ?   ?   144.953   17.633 0.000000 17.63285 
1 1 1   -2   -2   39 o  241.638   23.046  820.557  137.380  820.557  137.380   0.0000   0.0000  241.638   23.046  ?   ?  0.000000 23.04643 
1 1 1   -2   -2   40 o   55.155   16.726   41.357   25.040  126.781   83.558   32.929   26.246   89.663   30.843   50.698   17.290 38.96432 35.35922 
1 1 1   -2   -2   41 o   87.679   17.628  107.471   37.258  146.460  201.152  106.086   37.914   94.098   42.010   86.880   18.065 7.217499 45.72926 
1 1 1   -2   -2   42 o   72.865   17.749   75.724   31.997   38.738   99.281   80.011   33.801   68.745   30.154   74.696   18.272 -5.950806 35.25808 
1 1 1   -2   -2   43 o   85.671   16.903  104.189   34.877  235.952  110.378   89.575   36.760  108.914   35.419   78.099   19.025 30.81539 40.20524 
1 1 1   -2   -1    1 o  208.211   8.8647  541.835   46.091  531.141   65.168  552.538   65.197  205.641   12.753  209.781   12.502 -4.139938 17.85916 
1 1 1   -2   -1    2 f  505.655   23.063  3214.84  291.216  3232.79  411.866  3196.89  411.816  504.232   32.890  501.360   33.079 2.871429 46.64698 
1 1 1   -2   -1    3 o  318.118   16.208  1271.33  128.332  1303.91  181.560  1238.79  181.418  321.238   22.781  312.973   23.381 8.264984 32.64435 
1 1 1   -2   -1    4 o  241.089   13.712  730.024   82.214  710.934  116.250  749.127  116.287  237.140   19.812  243.548   19.278 -6.407578 27.64350 
1 1 1   -2   -1    5 o  156.661   16.411  311.034   63.249   0.0000   0.0000  311.034   63.249  ?   ?   156.661   16.411 0.000000 16.41098 
1 1 1   -2   -1    6 o  1069.54   47.055 14826.57  1256.76 15000.22  1777.65 14653.05  1777.00  1053.38   67.941  1040.07   68.807 13.31030 96.69727 
1 1 1   -2   -1    7 o  472.097   21.858  2809.51  257.691  2782.25  364.446  2836.77  364.415  466.435   31.473  471.114   31.151 -4.678314 44.28281 
1 1 1   -2   -1    8 o  367.964   17.985  1704.14  165.255  1698.04  233.794  1710.23  233.618  364.900   25.824  366.250   25.706 -1.350159 36.43745 
1 1 1   -2   -1    9 o  577.218   26.172  4244.26  377.247  4133.42  533.454  4355.14  533.561  562.226   38.223  577.867   37.172 -15.64075 53.31734 
1 1 1   -2   -1   10 o  139.500   11.323  245.539   39.105  217.088   55.416  273.759   55.191  130.106   17.500  146.763   15.283 -16.65701 23.23441 
1 1 1   -2   -1   11 o  342.950   24.687  1501.33  210.008  1501.33  210.008   0.0000   0.0000  342.950   24.687  ?   ?  0.000000 24.68711 
1 1 1   -2   -1   12 o  356.802   17.632  1600.96  157.104  1553.53  222.337  1648.26  222.020  349.189   25.678  359.954   24.852 -10.76544 35.73478 
1 1 1   -2   -1   13 o  587.445   26.394  4363.05  387.195  4153.36  547.485  4572.87  547.668  567.841   38.843  596.808   36.929 -28.96710 53.59603 
1 1 1   -2   -1   14 o  625.650   27.896  4945.82  435.836  4716.37  616.285  5175.40  616.447  605.561   40.996  635.313   39.045 -29.75177 56.61421 
1 1 1   -2   -1   15 o  387.926   26.813  1906.62  258.153   0.0000   0.0000  1906.62  258.153  ?   ?   387.926   26.813 0.000000 26.81333 
1 1 1   -2   -1   17 o  420.376   19.991  2218.37  209.855  2090.65  297.030  2345.66  296.531  405.779   29.515  430.336   27.742 -24.55701 40.50607 
1 1 1   -2   -1   18 o  511.213   23.308  3288.10  297.551  3366.27  421.529  3210.47  420.076  514.286   32.997  501.988   33.706 12.29782 47.16882 
1 1 1   -2   -1   19 o  137.526   12.087  238.497   41.088  208.467   59.915  265.159   56.455  127.411   19.447  144.586   15.899 -17.17476 25.11902 
1 1 1   -2   -1   20 o  387.698   18.916  1888.50  183.139  1824.71  259.912  1951.39  258.091  378.788   27.669  392.065   26.517 -13.27759 38.32405 
1 1 1   -2   -1   21 o  697.698   45.308  6360.47  785.119  6360.47  785.119   0.0000   0.0000  697.698   45.308  ?   ?  0.000000 45.30802 
1 1 1   -2   -1   22 o  330.568   17.171  1378.04  141.259  1306.43  201.148  1447.73  198.421  319.955   25.384  337.364   23.703 -17.40912 34.73001 
1 1 1   -2   -1   23 o  777.359   34.938  7821.48  678.215  7393.27  959.641  8248.79  958.641  738.282   52.392  783.576   49.242 -45.29407 71.90078 
1 1 1   -2   -1   24 o  315.038   16.841  1255.35  132.012  1172.24  188.576  1335.21  184.865  301.975   25.239  323.153   23.060 -21.17752 34.18687 
1 1 1   -2   -1   25 o  414.033   28.824  2225.51  296.159   0.0000   0.0000  2225.51  296.159  ?   ?   414.033   28.824 0.000000 28.82407 
1 1 1   -2   -1   26 o  349.419   17.774  1551.61  154.581  1560.67  221.489  1543.02  215.840  347.151   25.733  345.426   25.196 1.724670 36.01410 
1 1 1   -2   -1   27 o  228.499   14.049  661.143   79.776  666.820  116.987  656.209  109.070  227.611   20.813  226.193   19.500 1.419037 28.52064 
1 1 1   -2   -1   28 o  228.838   14.325  663.921   81.450  643.717  119.787  681.294  111.081  223.113   21.777  230.361   19.493 -7.247665 29.22705 
1 1 1   -2   -1   29 o  209.001   13.972  554.102   72.504  527.755  107.841  575.836   97.944  201.707   21.754  211.787   18.712 -10.08055 28.69468 
1 1 1   -2   -1   30 o  234.426   21.877  711.962  126.588  711.962  126.588   0.0000   0.0000  234.426   21.877  ?   ?  0.000000 21.87671 
1 1 1   -2   -1   31 o  185.251   13.858  436.115   63.643  405.054   97.934  458.823   83.736  175.868   22.839  188.944   17.963 -13.07637 29.05653 
1 1 1   -2   -1   32 o  294.477   16.973  1107.40  124.285  1012.60  181.922  1190.37  170.195  277.085   26.620  302.753   22.676 -25.66745 34.96880 
1 1 1   -2   -1   33 f   88.481   14.694  101.807   31.329  134.358   66.442   92.500   35.526   99.464   26.335   83.641   17.568 15.82333 31.65714 
1 1 1   -2   -1   34 o  290.743   22.739  1105.25  163.783   0.0000   0.0000  1105.25  163.783  ?   ?   290.743   22.739 0.000000 22.73949 
1 1 1   -2   -1   35 o  129.602   14.348  216.191   45.658  195.907   84.852  224.457   54.168  118.531   28.922  131.347   16.907 -12.81596 33.50169 
1 1 1   -2   -1   36 o  272.874   16.748  962.235  113.569  898.684  172.162  1011.20  151.112  256.687   27.277  276.374   22.080 -19.68677 35.09298 
1 1 1   -2   -1   37 o  128.670   14.652  215.254   46.239  207.701   92.124  217.797   53.461  119.312   30.732  128.551   17.076 -9.239502 35.15778 
1 1 1   -2   -1   39 o  159.663   14.355  333.766   56.621  334.501   97.034  333.387   69.722  151.925   26.543  157.511   18.052 -5.586151 32.09961 
1 1 1   -2   -1   40 f   59.228   16.631   48.053   25.610  155.138   80.012   35.831   27.032   99.655   29.826   52.566   17.549 47.08855 34.60565 
1 1 1   -2   -1   41 o   86.437   16.967  103.139   35.315   65.142   92.701  109.590   38.195   74.761   30.786   88.744   17.854 -13.98286 35.58844 
1 1 1   -2   -1   42 o   78.748   18.155   87.858   34.971   4.8413  206.347   90.313   35.484   80.994   38.349   79.840   18.202 1.154800 42.44923 
1 1 1   -2   -1   43 o   47.848   16.611   29.548   24.263  125.117  103.920   24.038   24.953   85.071   33.430   45.219   16.707 39.85204 37.37251 
1 1 1   -2   -1   44 o   88.428   17.130  111.642   36.459  205.322  117.285  101.621   38.360   98.540   36.253   83.165   18.900 15.37454 40.88372 
1 1 1   -2    0    1 o  238.364   9.5271  710.243   56.709  714.247   80.202  706.239   80.196  238.514   13.521  237.161   13.598 1.352615 19.17614 
1 1 1   -2    0    2 o  153.406   7.9090  294.857   30.195  295.663   42.703  294.051   42.701  153.347   11.229  152.923   11.261 0.4242096 15.90330 
1 1 1   -2    0    3 o  117.633   6.8016  173.458   19.895  178.390   28.144  168.532   28.126  119.076   9.5451  115.690   9.8287 3.386276 13.70084 
1 1 1   -2    0    4 o  136.952   11.004  236.085   37.314  231.630   52.760  240.544   52.780  135.035   15.954  137.690   15.627 -2.654556 22.33263 
1 1 1   -2    0    5 o  321.684   16.361  1300.47  130.994  1309.80  185.294  1291.16  185.213  321.790   23.215  319.451   23.380 2.339294 32.94766 
1 1 1   -2    0    6 o  804.003   51.455  8445.50  1027.66   0.0000   0.0000  8445.50  1027.66  ?   ?   804.003   51.455 0.000000 51.45491 
1 1 1   -2    0    7 o  589.900   26.495  4400.82  390.296  4381.63  551.972  4420.02  551.951  583.533   38.088  586.176   37.910 -2.643127 53.73902 
1 1 1   -2    0    8 o  240.832   13.777  729.589   82.513  712.131  116.725  747.027  116.657  236.961   19.910  242.830   19.400 -5.868378 27.79893 
1 1 1   -2    0    9 o  217.857   13.136  597.510   71.128  574.987  100.663  619.967  100.517  212.701   19.157  221.077   18.374 -8.376541 26.54419 
1 1 1   -2    0   10 o  476.657   22.156  2879.50  263.725  2824.13  372.980  2934.87  372.947  467.239   32.162  476.680   31.508 -9.440857 45.02444 
1 1 1   -2    0   11 o  134.119   11.258  227.020   37.358  211.356   53.021  242.462   52.645  128.474   16.940  137.999   15.548 -9.524475 22.99302 
1 1 1   -2    0   12 o  244.318   19.980  757.822  120.832  757.822  120.832   0.0000   0.0000  244.318   19.980  ?   ?  0.000000 19.97992 
1 1 1   -2    0   13 o  908.482   40.058 10639.25  908.782 10324.78  1284.96 10953.98  1285.47  877.456   58.985  905.816   57.122 -28.35956 82.11050 
1 1 1   -2    0   14 o  408.204   19.484  2093.35  198.609  2056.83  281.138  2129.75  280.612  402.342   28.159  409.585   27.596 -7.242432 39.42709 
1 1 1   -2    0   15 o  698.339   30.764  6171.98  536.488  5783.36  758.364  6561.30  759.054  669.208   45.653  714.407   42.744 -45.19855 62.53967 
1 1 1   -2    0   16 o  618.658   27.626  4827.96  426.802  4750.04  603.857  4905.75  603.321  609.065   39.924  619.274   39.216 -10.20837 55.96230 
1 1 1   -2    0   17 o  481.743   31.894  2949.03  381.519   0.0000   0.0000  2949.03  381.519  ?   ?   481.743   31.894 0.000000 31.89440 
1 1 1   -2    0   18 o  329.172   16.740  1361.52  137.148  1384.68  194.674  1338.71  193.246  330.923   23.715  325.313   23.957 5.609528 33.70916 
1 1 1   -2    0   19 o  266.353   14.364  891.008   95.186  977.690  136.107  808.029  133.167  278.359   19.708  252.682   21.303 25.67715 29.02109 
1 1 1   -2    0   20 o  223.600   13.803  628.537   76.693  587.804  109.981  667.092  107.001  215.257   20.716  229.735   18.816 -14.47734 27.98578 
1 1 1   -2    0   21 o  572.447   25.776  4142.62  368.475  4235.31  522.282  4050.77  519.931  574.154   36.618  561.155   37.316 12.99890 52.28161 
1 1 1   -2    0   22 o  261.226   21.340  866.286  137.989  866.286  137.989   0.0000   0.0000  261.226   21.340  ?   ?  0.000000 21.33965 
1 1 1   -2    0   23 o  714.229   32.000  6545.53  570.740  6489.35  808.238  6601.41  806.063  699.479   46.537  706.008   45.971 -6.529114 65.41431 
1 1 1   -2    0   24 o  333.446   17.279  1405.35  143.381  1360.98  204.607  1448.17  200.986  325.851   25.344  336.602   24.070 -10.75113 34.95264 
1 1 1   -2    0   25 o  312.645   16.580  1236.80  128.986  1210.27  184.693  1262.07  180.217  306.953   24.294  313.884   23.155 -6.931580 33.56119 
1 1 1   -2    0   26 o  221.572   13.280  620.008   73.140  694.945  107.876  556.251   99.503  233.387   18.666  208.477   19.333 24.91049 26.87316 
1 1 1   -2    0   27 o  273.539   15.058  947.625  102.464  998.380  149.426  902.577  140.774  278.740   21.637  265.014   21.456 13.72546 30.47136 
1 1 1   -2    0   28 o  242.044   14.415  742.201   86.736  750.281  126.898  735.116  118.826  241.343   21.273  239.275   20.072 2.068344 29.24796 
1 1 1   -2    0   29 o  257.416   14.840  840.388   94.986  860.682  139.107  822.661  130.015  258.247   21.774  252.809   20.778 5.437943 30.09715 
1 1 1   -2    0   30 o  202.003   13.438  517.150   67.399  550.488  102.281  491.564   89.604  206.610   20.078  195.599   18.567 11.01122 27.34700 
1 1 1   -2    0   31 o  189.234   21.465  465.141   99.638  465.141   99.638   0.0000   0.0000  189.234   21.465  ?   ?  0.000000 21.46484 
1 1 1   -2    0   32 o  232.422   14.415  686.067   83.252  717.724  125.999  661.537  110.911  235.296   21.688  226.524   19.806 8.771439 29.37078 
1 1 1   -2    0   33 o   98.319   14.121  124.739   33.674  162.631   67.499  112.183   38.855  109.716   25.171   92.382   17.483 17.33377 30.64686 
1 1 1   -2    0   34 o  262.969   16.075  883.157  105.056  831.370  158.083  924.118  140.592  250.875   25.592  266.822   21.277 -15.94667 33.28165 
1 1 1   -2    0   35 o   54.757   17.053   38.223   25.819   0.0000   0.0000   38.223   25.819  ?   ?    54.757   17.053 0.000000 17.05307 
1 1 1   -2    0   36 o  147.343   14.443  279.174   52.458  256.438   95.066  289.128   62.902  135.592   28.957  149.086   17.212 -13.49367 33.68589 
1 1 1   -2    0   37 o   76.056   16.587   77.329   30.616   39.251   78.891   84.081   33.220   70.646   28.663   79.207   17.281 -8.560959 33.46934 
1 1 1   -2    0   38 o  209.698   27.119  615.008  138.681  615.008  138.681   0.0000   0.0000  209.698   27.119  ?   ?  0.000000 27.11851 
1 1 1   -2    0   39 o   66.105   28.347   18.839   83.766   18.839   83.766   0.0000   0.0000   66.105   28.347  ?   ?  0.000000 28.34719 
1 1 1   -2    0   40 o   99.060   16.817  132.789   40.113   24.541   86.121  162.779   45.330   66.932   28.724  109.769   17.094 -42.83664 33.42498 
1 1 1   -2    0   41 o   71.569   16.924   70.857   29.771   94.645   87.699   67.759   31.651   81.652   31.074   69.675   18.047 11.97737 35.93401 
1 1 1   -2    0   42 o  136.717   14.920  249.856   50.110  324.559  107.975  229.351   56.571  141.803   31.327  129.020   18.053 12.78273 36.15670 
1 1 1   -2    0   43 o   82.169   18.224   95.899   36.415 -17.5382  216.826   99.192   36.940   79.654   38.155   83.606   18.209 -3.952347 42.27756 
1 1 1   -2    0   44 o   42.033   15.810   19.656   22.542   54.088  109.029   18.118   23.040   71.623   31.504   41.488   15.894 30.13484 35.28598 
1 1 1   -2    1    1 o  632.837   19.644  5025.37  310.433  4969.76  438.960  5081.00  439.077  627.719   28.003  634.774   27.699 -7.055359 39.38835 
1 1 1   -2    1    2 o  112.098   7.2473  157.661   20.179  160.279   28.540  155.044   28.534  112.759   10.248  110.867   10.429 1.892532 14.62119 
1 1 1   -2    1    3 o  218.108   9.0468  594.615   49.274  592.997   69.679  596.234   69.689  217.309   12.898  217.906   12.864 -0.5969391 18.21644 
1 1 1   -2    1    4 o  870.174   26.230  9543.58  569.972  9631.82  806.167  9455.38  805.957  870.127   37.102  861.973   37.443 8.154114 52.71131 
1 1 1   -2    1    5 o  509.711   18.929  3260.72  240.933  3309.88  417.428  3236.17  295.040  509.863   32.962  507.116   23.298 2.747589 40.36426 
1 1 1   -2    1    6 o  242.337   13.772  737.788   82.997  748.742  117.399  726.842  117.353  243.396   19.478  239.742   19.778 3.654083 27.75965 
1 1 1   -2    1    7 o  116.606   15.501  173.447   44.018   0.0000   0.0000  173.447   44.018  ?   ?   116.606   15.501 0.000000 15.50100 
1 1 1   -2    1    8 o  525.515   23.956  3488.84  314.370  3484.64  444.645  3493.05  444.529  520.947   34.373  521.601   34.320 -0.6536865 48.57304 
1 1 1   -2    1    9 o  579.320   26.185  4263.24  378.815  4171.76  535.650  4354.77  535.800  566.571   38.081  579.412   37.228 -12.84033 53.25479 
1 1 1   -2    1   10 o  292.449   15.471  1078.38  112.586  1059.01  159.276  1097.73  159.165  288.292   22.298  293.661   21.861 -5.368225 31.22646 
1 1 1   -2    1   11 o  225.801   13.413  642.327   75.289  611.323  106.580  673.209  106.371  219.125   19.688  230.247   18.661 -11.12222 27.12607 
1 1 1   -2    1   12 o  431.558   20.396  2352.04  219.809  2270.95  310.873  2433.12  310.840  420.385   29.806  435.631   28.735 -15.24655 41.40205 
1 1 1   -2    1   13 o  253.401   20.383  814.171  127.892  814.171  127.892   0.0000   0.0000  253.401   20.383  ?   ?  0.000000 20.38329 
1 1 1   -2    1   14 o  360.585   25.436  1649.58  227.567   0.0000   0.0000  1649.58  227.567  ?   ?   360.585   25.436 0.000000 25.43577 
1 1 1   -2    1   15 o  871.797   55.747  9963.53  1207.28  9963.53  1207.28   0.0000   0.0000  871.797   55.747  ?   ?  0.000000 55.74694 
1 1 1   -2    1   16 o  1061.39   46.354 14477.30  1228.61 14224.35  1737.46 14730.28  1737.57  1033.81   67.675  1053.30   66.400 -19.49475 94.80933 
1 1 1   -2    1   17 o  233.741   13.607  686.130   79.079  728.253  112.496  644.983  111.186  240.211   18.907  225.830   19.920 14.38110 27.46404 
1 1 1   -2    1   18 o  890.662   56.654 10361.02  1253.53   0.0000   0.0000 10361.02  1253.53  ?   ?   890.662   56.654 0.000000 56.65429 
1 1 1   -2    1   19 o  869.118   38.029  9620.45  825.362  9604.73  1167.89  9636.13  1166.59  857.866   54.803  859.375   54.645 -1.509094 77.39114 
1 1 1   -2    1   20 o  626.524   27.818  4958.41  435.223  5130.60  616.617  4787.46  614.387  632.583   39.228  610.445   40.534 22.13782 56.40779 
1 1 1   -2    1   21 o  654.885   29.290  5434.04  479.000  5189.68  677.915  5677.67  676.902  633.310   43.122  663.609   41.049 -30.29852 59.53595 
1 1 1   -2    1   22 o  586.859   26.051  4360.00  381.776  4648.25  541.646  4075.42  538.197  601.099   36.254  561.593   38.611 39.50574 52.96415 
1 1 1   -2    1   23 o  545.100   36.185  3844.27  489.762  3844.27  489.762   0.0000   0.0000  545.100   36.185  ?   ?  0.000000 36.18537 
1 1 1   -2    1   24 o  320.446   17.270  1297.04  137.686  1075.46  195.968  1513.05  193.492  289.072   27.478  344.820   22.596 -55.74796 35.57523 
1 1 1   -2    1   25 o  631.645   28.836  5128.17  454.848  4978.48  644.597  5276.61  641.914  611.014   42.511  630.506   40.992 -19.49255 59.05544 
1 1 1   -2    1   26 o   82.591   13.282   87.909   26.465   96.027   45.457   83.746   32.550   85.250   21.388   79.961   16.833 5.288765 27.21819 
1 1 1   -2    1   27 o  201.568   13.077  513.486   65.469  551.451   97.108  481.852   88.644  207.589   18.941  194.045   18.518 13.54451 26.48952 
1 1 1   -2    1   28 o  197.464   18.322  499.247   89.315   0.0000   0.0000  499.247   89.315  ?   ?   197.464   18.322 0.000000 18.32157 
1 1 1   -2    1   29 o  236.973   13.827  710.807   81.468  787.346  120.574  646.514  110.508  247.790   19.647  224.304   19.937 23.48650 27.99080 
1 1 1   -2    1   30 o  165.603   13.133  347.900   53.863  345.052   83.590  349.922   70.436  162.945   21.034  165.133   17.340 -2.187683 27.25971 
1 1 1   -2    1   31 o  213.136   14.742  577.140   77.980  488.371  116.394  649.433  105.038  192.904   24.732  224.957   18.872 -32.05309 31.10999 
1 1 1   -2    1   32 o  282.172   24.056  1036.32  167.887  1036.32  167.887   0.0000   0.0000  282.172   24.056  ?   ?  0.000000 24.05577 
1 1 1   -2    1   33 o  340.249   18.117  1480.41  153.380  1444.64  223.449  1512.28  210.917  331.240   27.256  340.334   24.992 -9.094391 36.97951 
1 1 1   -2    1   34 o  156.325   14.139  311.804   54.597  280.691   91.768  328.851   67.927  144.488   26.407  159.748   17.304 -15.26041 31.57148 
1 1 1   -2    1   35 o  194.986   15.131  485.875   73.100  403.793  117.633  537.514   93.302  172.736   28.247  204.018   18.515 -31.28191 33.77467 
1 1 1   -2    1   36 o  151.928   14.304  295.931   53.630  325.694  102.158  284.609   63.010  154.476   27.490  148.058   17.372 6.417419 32.51951 
1 1 1   -2    1   37 o   59.826   17.230   47.229   27.140   0.0000   0.0000   47.229   27.140  ?   ?    59.826   17.230 0.000000 17.23018 
1 1 1   -2    1   38 o  119.611   14.266  185.774   41.772  274.657   91.276  162.227   46.980  139.886   27.108  110.556   17.608 29.32947 32.32482 
1 1 1   -2    1   39 o  169.352   15.327  374.196   64.114  321.165  116.398  397.293   76.818  146.279   32.688  173.150   18.031 -26.87099 37.33088 
1 1 1   -2    1   40 o  107.761   33.972  182.852  102.121  182.852  102.121   0.0000   0.0000  107.761   33.972  ?   ?  0.000000 33.97158 
1 1 1   -2    1   41 o  156.222   14.593  321.554   56.271  365.899  104.759  303.571   66.712  156.959   27.742  149.617   18.233 7.342300 33.19693 
1 1 1   -2    1   42 f   98.341   15.703  130.755   37.266  229.619   99.386  114.581   40.198  118.277   32.601   90.701   18.377 27.57566 37.42396 
1 1 1   -2    1   43 o   78.164   17.884   85.984   34.152   8.2677  102.380   95.715   36.227   66.116   29.711   82.467   18.089 -16.35102 34.78451 
1 1 1   -2    1   44 o   86.975   17.910  107.200   37.603  362.280  228.890  100.125   38.121  113.729   47.727   83.542   18.735 30.18678 51.27215 
1 1 1   -2    1   45 o  108.987   18.035  169.349   47.368  -2.9748  125.871  197.779   51.126   66.159   30.887  118.021   17.910 -51.86215 35.70416 
1 1 1   -2    2    1 o  249.554   9.6120  778.541   59.900  797.513   84.737  759.592   84.686  252.067   13.511  245.949   13.845 6.117386 19.34497 
1 1 1   -2    2    2 o  210.802   8.9161  555.431   46.935  558.550   66.372  552.311   66.382  210.903   12.661  209.711   12.736 1.192703 17.95845 
1 1 1   -2    2    3 o  243.559   9.5556  741.589   58.119  719.726   82.161  763.484   82.223  239.387   13.803  246.620   13.401 -7.233124 19.23814 
1 1 1   -2    2    4 f  535.277   17.062  3591.90  228.064  3563.35  322.498  3620.47  322.564  532.052   24.273  536.334   24.084 -4.281372 34.19383 
1 1 1   -2    2    5 o  209.633   8.8642  549.331   46.403  539.826   65.610  558.845   65.639  207.298   12.736  210.953   12.516 -3.655014 17.85661 
1 1 1   -2    2    6 o  286.532   10.580  1026.87   75.703  1006.75  107.031  1047.03  107.090  283.046   15.198  288.703   14.905 -5.656952 21.28725 
1 1 1   -2    2    7 o  503.913   18.580  3189.31  233.806  2988.56  404.683  3289.90  286.452  483.433   33.733  511.107   22.443 -27.67426 40.51716 
1 1 1   -2    2    8 o  560.188   36.602  4037.92  509.204   0.0000   0.0000  4037.92  509.204  ?   ?   560.188   36.602 0.000000 36.60169 
1 1 1   -2    2    9 o  325.318   16.559  1333.56  134.077  1304.06  189.619  1363.06  189.608  320.116   23.893  327.454   23.340 -7.338165 33.40103 
1 1 1   -2    2   10 o  275.383   14.903  955.655  102.103  943.540  144.456  967.750  144.335  272.299   21.417  275.864   21.112 -3.564240 30.07354 
1 1 1   -2    2   11 o  437.838   20.651  2424.79  225.786  2370.12  319.322  2479.44  319.296  428.861   30.006  438.999   29.294 -10.13773 41.93447 
1 1 1   -2    2   12 o  239.471   13.822  722.291   82.304  704.877  116.537  739.622  116.255  235.436   20.011  241.326   19.456 -5.889954 27.91067 
1 1 1   -2    2   13 o  447.342   20.940  2524.59  233.916  2572.98  331.213  2476.44  330.403  448.347   29.752  439.626   30.281 8.721222 42.45121 
1 1 1   -2    2   14 o  492.406   32.681  3100.24  399.573  3100.24  399.573   0.0000   0.0000  492.406   32.681  ?   ?  0.000000 32.68109 
1 1 1   -2    2   15 o  745.616   32.852  7057.10  611.684  7080.38  865.350  7033.85  864.755  739.128   47.129  736.610   47.261 2.518066 66.74401 
1 1 1   -2    2   16 o  419.318   19.849  2207.32  207.841  2003.59  293.888  2411.18  293.975  397.065   29.858  436.418   27.109 -39.35291 40.32851 
1 1 1   -2    2   17 o  511.588   23.396  3291.33  298.890  3140.33  422.798  3442.19  422.591  496.555   34.307  520.437   32.682 -23.88190 47.38269 
1 1 1   -2    2   18 o  582.026   26.179  4267.36  380.496  4182.77  538.467  4351.72  537.739  572.288   37.893  584.058   37.061 -11.77002 53.00391 
1 1 1   -2    2   19 o  316.854   23.291  1269.33  182.994   0.0000   0.0000  1269.33  182.994  ?   ?   316.854   23.291 0.000000 23.29061 
1 1 1   -2    2   20 o  392.997   18.972  1938.40  186.190  1934.65  264.323  1942.09  262.313  390.626   27.268  391.438   27.000 -0.8122253 38.37409 
1 1 1   -2    2   21 o  753.589   32.905  7214.40  619.228  7604.30  877.313  6827.31  874.136  766.174   46.068  724.357   48.607 41.81616 66.96954 
1 1 1   -2    2   22 o  228.197   13.374  654.607   75.879  725.240  109.727  589.873  105.044  239.535   18.487  215.683   19.722 23.85242 27.03156 
1 1 1   -2    2   23 o  454.156   21.135  2601.27  239.689  2690.62  340.583  2513.59  337.384  458.694   29.897  443.006   30.686 15.68768 42.84274 
1 1 1   -2    2   24 o  766.205   50.599  7864.62  962.695  7864.62  962.695   0.0000   0.0000  766.205   50.599  ?   ?  0.000000 50.59939 
1 1 1   -2    2   25 o  388.847   19.353  1910.86  187.921  1774.93  267.354  2043.61  264.196  370.920   29.097  399.155   26.659 -28.23431 39.46318 
1 1 1   -2    2   26 o  415.333   20.186  2187.67  209.360  2135.91  298.087  2238.05  294.113  405.826   29.618  416.038   28.481 -10.21185 41.09020 
1 1 1   -2    2   27 o  194.075   13.317  476.160   64.150  467.836   94.928  483.156   87.029  190.835   20.228  194.495   18.128 -3.659912 27.16235 
1 1 1   -2    2   28 o  137.017   12.807  238.302   43.311  222.211   67.717  249.441   56.342  130.319   21.563  139.483   16.495 -9.164322 27.14831 
1 1 1   -2    2   29 o  225.734   19.435  653.305  108.485   0.0000   0.0000  653.305  108.485  ?   ?   225.734   19.435 0.000000 19.43469 
1 1 1   -2    2   30 o  255.334   15.806  828.262  100.289  703.902  146.280  938.560  137.762  231.995   25.680  270.308   20.563 -38.31363 32.89876 
1 1 1   -2    2   31 o  436.642   20.727  2439.29  226.003  2545.80  324.057  2338.43  315.353  439.696   29.687  420.959   30.200 18.73706 42.34803 
1 1 1   -2    2   32 f  383.211   18.500  1870.98  177.038  2014.37  256.316  1740.17  244.820  392.885   26.277  364.563   27.086 28.32178 37.73711 
1 1 1   -2    2   33 o  172.487   22.868  389.563   96.070  389.563   96.070   0.0000   0.0000  172.487   22.868  ?   ?  0.000000 22.86763 
1 1 1   -2    2   34 o  303.497   16.272  1173.49  122.873  1261.23  183.081  1101.58  165.748  311.245   23.734  291.148   22.984 20.09723 33.03925 
1 1 1   -2    2   35 o  532.165   25.653  3704.37  340.904  3621.73  488.136  3783.06  476.304  510.814   38.551  524.711   36.580 -13.89777 53.14381 
1 1 1   -2    2   36 f  236.635   13.859  712.493   81.540  958.957  134.121  567.985  102.699  272.100   19.876  209.055   19.913 63.04593 28.13516 
1 1 1   -2    2   37 o  115.175   15.193  172.058   42.630  141.937   89.099  181.001   48.548  101.243   31.703  117.643   17.020 -16.39986 35.98290 
1 1 1   -2    2   38 o  124.721   17.013  204.135   51.606   0.0000   0.0000  204.135   51.606  ?   ?   124.721   17.013 0.000000 17.01329 
1 1 1   -2    2   39 f  268.653   17.234  942.895  115.010  857.990  178.947  1002.65  150.120  245.885   29.749  273.167   22.199 -27.28210 37.11842 
1 1 1   -2    2   40 o   99.124   15.348  130.289   36.764  187.788   94.544  120.046   39.904  110.967   32.217   94.238   17.604 16.72937 36.71295 
1 1 1   -2    2   41 o  258.214   15.513  876.212   99.564  910.566  147.901  847.742  134.641  255.306   23.461  247.889   21.978 7.416458 32.14758 
1 1 1   -2    2   42 o   63.457   28.831 -15.8336   99.595 -15.8336   99.595   0.0000   0.0000   63.457   28.831  ?   ?  0.000000 28.83144 
1 1 1   -2    2   43 o  113.228   17.252  175.427   47.239   13.766  108.189  213.508   52.509   68.942   30.792  125.090   17.270 -56.14762 35.30462 
1 1 1   -2    2   44 o   73.403   17.706   76.140   32.081  113.977  112.240   72.773   33.477   85.120   34.310   71.432   18.589 13.68814 39.02177 
1 1 1   -2    2   45 o   74.397   17.715   79.187   32.438  169.272  123.598   72.523   33.616   93.405   36.531   70.740   18.733 22.66461 41.05416 
1 1 1   -2    3    1 o  202.382   8.7519  511.948   44.231  507.855   62.539  516.045   62.564  201.074   12.517  202.703   12.420 -1.629349 17.63324 
1 1 1   -2    3    2 o  219.944   9.1202  604.705   50.092  608.258   70.848  601.153   70.833  220.083   12.948  218.781   13.024 1.301086 18.36521 
1 1 1   -2    3    3 o  230.261   9.3251  662.807   53.619  626.096   75.780  699.614   75.879  223.223   13.660  236.086   12.920 -12.86266 18.80210 
1 1 1   -2    3    4 o  463.965   15.117  2696.52  175.150  2638.94  247.638  2754.16  247.760  458.204   21.642  468.163   21.193 -9.959259 30.29063 
1 1 1   -2    3    5 o  158.620   7.6251  314.421   30.203  311.917   42.689  316.932   42.739  157.540   10.918  158.814   10.842 -1.274323 15.38667 
1 1 1   -2    3    6 o  621.464   19.162  4850.25  297.372  4834.53  420.518  4865.98  420.578  618.642   27.220  620.674   27.135 -2.031494 38.43525 
1 1 1   -2    3    7 o  288.608   10.642  1042.05   76.700  1030.48  108.451  1053.62  108.491  286.307   15.223  289.536   15.057 -3.228088 21.41189 
1 1 1   -2    3    8 f  163.289   8.0410  333.343   32.788  342.312   46.407  324.402   46.333  164.981   11.333  160.554   11.635 4.426498 16.24219 
1 1 1   -2    3    9 o  183.482   17.417  427.119   78.848   0.0000   0.0000  427.119   78.848  ?   ?   183.482   17.417 0.000000 17.41729 
1 1 1   -2    3   10 o  370.475   18.093  1729.56  167.390  1747.54  236.828  1711.62  236.621  369.800   25.808  365.880   26.068 3.920135 36.68227 
1 1 1   -2    3   11 o  387.490   18.750  1894.81  181.436  1862.62  256.633  1926.98  256.546  381.085   27.145  387.823   26.652 -6.738678 38.04150 
1 1 1   -2    3   12 o  314.275   16.216  1245.85  126.831  1255.07  179.526  1236.66  179.208  313.828   23.070  311.469   23.207 2.359222 32.72259 
1 1 1   -2    3   13 o  333.244   16.881  1399.85  140.024  1406.73  198.253  1393.00  197.795  332.460   24.042  330.805   24.110 1.654541 34.04830 
1 1 1   -2    3   14 o  308.042   16.022  1193.92  122.821  1159.88  173.784  1227.88  173.607  302.338   23.195  311.271   22.486 -8.932770 32.30505 
1 1 1   -2    3   15 o  295.894   22.308  1107.89  163.620  1107.89  163.620   0.0000   0.0000  295.894   22.308  ?   ?  0.000000 22.30782 
1 1 1   -2    3   16 f  488.684   22.506  3003.02  274.645  2914.17  388.517  3091.77  388.296  478.459   32.714  493.169   31.697 -14.70999 45.55104 
1 1 1   -2    3   17 o  421.815   19.954  2233.22  210.188  2247.17  297.631  2219.34  296.872  421.067   28.473  418.418   28.583 2.649597 40.34526 
1 1 1   -2    3   18 o  821.493   35.946  8566.23  737.407  8592.63  1043.34  8539.87  1042.37  814.285   51.576  811.705   51.694 2.579346 73.02267 
1 1 1   -2    3   19 f  413.092   19.665  2141.48  202.854  2151.75  287.510  2131.29  286.251  412.072   28.108  410.095   28.122 1.976318 39.76043 
1 1 1   -2    3   20 o  177.028   17.455  396.717   76.161   0.0000   0.0000  396.717   76.161  ?   ?   177.028   17.455 0.000000 17.45549 
1 1 1   -2    3   21 o  284.699   15.755  1018.95  111.571  907.725  158.962  1126.94  156.633  267.393   24.064  298.675   21.137 -31.28162 32.02909 
1 1 1   -2    3   22 o  711.718   31.582  6435.87  561.296  6386.44  794.636  6485.08  792.952  701.107   45.636  706.806   45.162 -5.699524 64.20446 
1 1 1   -2    3   23 o  409.915   19.496  2114.78  199.572  2183.28  283.840  2047.81  280.661  413.978   27.615  400.694   28.230 13.28452 39.49047 
1 1 1   -2    3   24 o  483.781   22.532  2959.53  272.204  2948.00  386.489  2970.89  383.437  478.566   32.534  480.603   32.134 -2.036896 45.72785 
1 1 1   -2    3   25 o  398.452   28.114  2038.71  277.946  2038.71  277.946   0.0000   0.0000  398.452   28.114  ?   ?  0.000000 28.11440 
1 1 1   -2    3   26 o  720.672   32.597  6732.06  586.627  6684.60  831.042  6779.21  828.197  702.387   47.662  707.992   47.113 -5.604736 67.01734 
1 1 1   -2    3   27 o  206.061   13.898  536.808   71.097  480.206  103.966  586.530   97.442  193.010   21.962  214.479   18.371 -21.46895 28.63195 
1 1 1   -2    3   28 o  156.925   13.245  312.145   51.419  258.345   77.551  354.350   68.687  140.449   22.901  166.570   16.740 -26.12025 28.36647 
1 1 1   -2    3   29 o  283.226   15.664  1016.96  110.355  1021.72  159.995  1012.63  152.411  281.478   22.962  280.608   21.924 0.8699341 31.74808 
1 1 1   -2    3   30 o  137.219   16.717  241.955   56.098   0.0000   0.0000  241.955   56.098  ?   ?   137.219   16.717 0.000000 16.71661 
1 1 1   -2    3   31 o  104.686   13.376  140.372   34.167  149.504   61.042  136.205   41.232  105.805   23.692  102.390   16.702 3.415108 28.98756 
1 1 1   -2    3   32 o  147.925   12.870  277.845   47.069  330.281   79.057  249.050   58.584  159.570   20.299  139.039   17.243 20.53122 26.63437 
1 1 1   -2    3   33 o  383.824   19.040  1879.56  182.497  1928.24  264.001  1835.02  252.558  383.322   27.768  374.259   27.209 9.062927 38.87694 
1 1 1   -2    3   34 o  307.248   17.190  1204.39  131.365  1153.71  192.854  1248.24  179.427  296.494   26.321  310.062   23.345 -13.56833 35.18192 
1 1 1   -2    3   35 o  198.617   13.604  501.018   67.065  619.794  111.049  432.826   84.143  218.780   20.568  183.141   18.659 35.63863 27.77035 
1 1 1   -2    3   36 o  354.341   19.617  1618.10  172.906  1461.92  253.885  1753.21  236.130  328.986   31.280  364.585   26.109 -35.59872 40.74443 
1 1 1   -2    3   37 o  256.293   25.628  874.839  161.826  874.839  161.826   0.0000   0.0000  256.293   25.628  ?   ?  0.000000 25.62847 
1 1 1   -2    3   38 f  193.752   14.833  482.347   71.222  492.340  122.558  477.252   87.516  190.132   26.536  191.214   18.562 -1.082199 32.38380 
1 1 1   -2    3   39 o  197.404   18.885  513.008   91.956   0.0000   0.0000  513.008   91.956  ?   ?   197.404   18.885 0.000000 18.88457 
1 1 1   -2    3   40 o  268.349   16.802  942.247  112.029  953.011  178.802  935.291  143.741  259.737   28.010  263.056   22.086 -3.318787 35.67022 
1 1 1   -2    3   41 o  141.729   14.872  263.702   51.853  333.174  115.947  246.334   57.973  147.549   32.359  135.675   17.520 11.87355 36.79771 
1 1 1   -2    3   42 o   53.323   16.910   37.581   25.274   23.612  103.528   38.466   26.062   70.940   30.963   53.941   17.179 16.99839 35.40892 
1 1 1   -2    3   43 o   82.594   34.041   86.132  113.462   86.132  113.462   0.0000   0.0000   82.594   34.041  ?   ?  0.000000 34.04112 
1 1 1   -2    3   44 o  120.054   15.906  195.028   46.511  226.675  116.814  189.066   50.704  112.218   36.434  117.009   17.924 -4.790756 40.60463 
1 1 1   -2    3   45 f   84.843   17.124  100.912   35.031  238.667  122.472   88.637   36.558  111.108   37.352   78.559   18.871 32.54965 41.84889 
1 1 1   -2    3   46 o  109.007   16.930  166.548   44.591  191.293  134.221  163.478   47.276   95.340   37.824  106.997   18.355 -11.65694 42.04260 
1 1 1   -2    4    1 o  291.291   10.691  1061.25   77.765  1035.04  109.930  1087.50  110.022  287.000   15.395  294.247   15.023 -7.247192 21.51039 
1 1 1   -2    4    2 o   61.549   7.2192   47.986   10.885   48.802   15.375   47.166   15.413   61.634   10.357   60.534   10.581 1.099636 14.80632 
1 1 1   -2    4    3 o  148.601   7.7549  276.714   28.677  302.037   40.614  251.535   40.498  155.047   10.552  141.324   11.577 13.72256 15.66460 
1 1 1   -2    4    4 f  303.120   10.990  1149.31   83.186  1112.18  117.586  1186.52  117.700  297.469   15.887  307.723   15.317 -10.25449 22.06795 
1 1 1   -2    4    5 o  318.459   11.260  1268.77   89.548  1283.81  126.673  1253.74  126.607  320.032   15.850  315.837   16.106 4.195343 22.59729 
1 1 1   -2    4    6 o  318.677   11.405  1270.75   90.760  1271.81  128.349  1269.69  128.358  318.051   16.214  317.784   16.229 0.2670898 22.94057 
1 1 1   -2    4    7 o  126.237   7.2329  199.812   22.706  215.323   32.144  184.365   32.078  130.832   9.9122  120.916   10.735 9.916504 14.61155 
1 1 1   -2    4    8 o  276.522   10.400  956.848   71.818  941.119  101.531  972.598  101.600  273.518   14.921  278.100   14.682 -4.582428 20.93336 
1 1 1   -2    4    9 o   81.104   10.027   83.577   19.876   44.944   27.751  124.265   28.479   59.335   17.520   98.904   11.762 -39.56901 21.10189 
1 1 1   -2    4   10 o  422.395   28.918  2290.42  303.190   0.0000   0.0000  2290.42  303.190  ?   ?   422.395   28.918 0.000000 28.91788 
1 1 1   -2    4   11 o  409.886   15.903  2113.84  162.775  2100.74  282.055  2120.39  199.316  404.449   28.101  409.738   19.480 -5.288879 34.19267 
1 1 1   -2    4   12 o  406.521   19.117  2085.35  194.070   0.0000   0.0000  2085.35  194.070  ?   ?   406.521   19.117 0.000000 19.11720 
1 1 1   -2    4   13 o  418.497   28.686  2241.89  297.982  2241.89  297.982   0.0000   0.0000  418.497   28.686  ?   ?  0.000000 28.68638 
1 1 1   -2    4   14 o  183.582   12.337  423.980   56.230  397.736   79.606  450.111   79.435  176.963   18.277  188.560   17.054 -11.59703 24.99835 
1 1 1   -2    4   15 o  140.470   11.520  248.548   40.054  247.667   56.903  249.414   56.390  139.548   16.658  140.082   16.432 -0.5344849 23.39920 
1 1 1   -2    4   16 o  646.617   41.524  5368.92  666.947  5368.92  666.947   0.0000   0.0000  646.617   41.524  ?   ?  0.000000 41.52367 
1 1 1   -2    4   17 o  637.168   28.314  5122.54  450.517  5206.05  637.573  5039.27  636.682  637.776   40.239  627.192   40.874 10.58423 57.35737 
1 1 1   -2    4   18 o  208.537   13.095  546.307   67.849  549.256   96.366  543.408   95.545  208.443   18.713  207.330   18.654 1.113678 26.42226 
1 1 1   -2    4   19 o  669.068   29.617  5652.75  494.841  5721.51  700.403  5584.22  699.221  668.042   42.202  659.758   42.669 8.284302 60.01355 
1 1 1   -2    4   20 o  152.077   12.063  291.144   45.436  287.315   66.048  294.584   62.603  150.312   17.951  152.408   16.724 -2.096283 24.53439 
1 1 1   -2    4   21 o  400.007   27.506  2029.29  273.087   0.0000   0.0000  2029.29  273.087  ?   ?   400.007   27.506 0.000000 27.50620 
1 1 1   -2    4   22 o  542.331   24.599  3709.60  333.149  3764.81  472.462  3655.01  469.836  542.495   35.063  534.366   35.410 8.129211 49.83260 
1 1 1   -2    4   23 o  264.219   14.732  878.096   96.813  900.727  138.955  856.748  134.961  266.613   21.042  259.997   20.965 6.615570 29.70346 
1 1 1   -2    4   24 o  448.444   20.797  2536.56  232.898  2678.85  331.236  2397.44  327.532  457.767   29.128  432.459   30.525 25.30820 42.19241 
1 1 1   -2    4   25 o  329.347   17.202  1369.26  140.987  1310.93  201.315  1425.40  197.510  320.183   25.386  334.412   23.807 -14.22891 34.80287 
1 1 1   -2    4   26 o  568.560   38.150  4249.81  538.515  4249.81  538.515   0.0000   0.0000  568.560   38.150  ?   ?  0.000000 38.15001 
1 1 1   -2    4   27 o  181.294   12.470  414.811   56.109  481.060   84.361  362.255   75.139  194.342   17.573  168.301   18.166 26.04050 25.27512 
1 1 1   -2    4   28 o  492.693   23.430  3105.30  288.266  2962.01  409.679  3245.82  405.689  473.256   34.912  497.065   32.869 -23.80933 47.95013 
1 1 1   -2    4   29 o  220.595   14.221  616.044   77.920  581.026  114.592  646.160  106.270  212.193   21.943  224.727   19.118 -12.53462 29.10325 
1 1 1   -2    4   30 o  135.006   13.217  231.764   43.988  196.086   69.340  255.791   56.903  121.631   23.681  141.234   16.442 -19.60331 28.82915 
1 1 1   -2    4   31 o  390.522   27.760  1992.28  268.956   0.0000   0.0000  1992.28  268.956  ?   ?   390.522   27.760 0.000000 27.76026 
1 1 1   -2    4   32 o  182.072   13.079  419.969   59.069  482.337   93.903  379.130   75.986  193.516   19.707  171.820   17.976 21.69579 26.67354 
1 1 1   -2    4   33 o  484.572   22.761  3020.24  275.424  3117.01  394.750  2928.44  384.469  483.747   32.873  468.662   33.063 15.08423 46.62409 
1 1 1   -2    4   34 o  393.781   19.618  1981.72  192.916  2000.47  279.469  1964.66  266.633  389.504   28.939  386.779   27.791 2.724335 40.12249 
1 1 1   -2    4   35 o   91.299   16.375  108.947   35.962   7.9402   74.781  139.332   41.015   63.767   27.047  103.529   16.412 -39.76206 31.63691 
1 1 1   -2    4   37 o  272.845   14.878  948.994  100.985  1185.87  159.701  791.175  130.355  301.948   21.317  246.323   21.405 55.62506 30.20880 
1 1 1   -2    4   38 o  277.429   17.308  992.630  119.309  890.638  182.888  1068.19  157.419  255.403   29.200  284.896   22.305 -29.49329 36.74460 
1 1 1   -2    4   39 o  158.576   14.385  324.084   56.344  388.357  110.780  301.655   65.440  167.446   27.444  151.779   17.592 15.66716 32.59849 
1 1 1   -2    4   40 o  256.939   21.628  884.456  137.482   0.0000   0.0000  884.456  137.482  ?   ?   256.939   21.628 0.000000 21.62828 
1 1 1   -2    4   41 o   73.092   16.476   72.355   29.353  159.668   98.996   63.939   30.736  102.560   33.553   68.449   17.811 34.11165 37.98685 
1 1 1   -2    4   42 o  131.113   15.813  228.160   50.729  172.182  116.022  241.391   56.406  103.619   36.305  134.188   17.231 -30.56857 40.18624 
1 1 1   -2    4   43 o  179.914   16.221  431.118   72.096  394.460  143.255  443.553   83.432  152.281   37.838  180.645   18.769 -28.36461 42.23771 
1 1 1   -2    4   44 o  104.657   38.588  196.869  132.982  196.869  132.982   0.0000   0.0000  104.657   38.588  ?   ?  0.000000 38.58785 
1 1 1   -2    4   45 o  303.672   17.723  1260.01  133.811  1254.82  195.971  1264.54  183.153  285.911   27.799  291.420   25.422 -5.509186 37.67103 
1 1 1   -2    4   46 o  125.614   16.181  216.918   49.575  294.789  135.906  204.966   53.244  119.491   39.324  120.622   18.247 -1.131180 43.35092 
1 1 1   -2    5    1 o  530.969   16.806  3536.83  222.830  3604.41  315.202  3469.31  315.055  534.791   23.602  524.580   24.051 10.21124 33.69713 
1 1 1   -2    5    2 o  509.722   23.202  3272.46  295.331  3134.57  417.467  3410.60  417.854  495.325   33.956  517.245   32.516 -21.91992 47.01332 
1 1 1   -2    5    3 o  618.505   19.359  4805.41  298.998  4813.19  422.858  4797.62  422.836  617.135   27.439  616.123   27.482 1.011169 38.83506 
1 1 1   -2    5    4 o  208.826   8.8046  545.181   45.914  589.419   65.007  501.147   64.857  216.678   12.062  199.637   13.082 17.04109 17.79415 
1 1 1   -2    5    5 o  497.128   15.967  3099.06  198.214  3027.60  280.217  3170.62  280.417  490.251   22.889  501.795   22.378 -11.54376 32.01081 
1 1 1   -2    5    6 o  391.095   13.158  1915.68  128.502  1914.90  181.740  1916.45  181.719  390.412   18.641  390.572   18.632 -0.1593628 26.35593 
1 1 1   -2    5    7 o  492.681   15.575  3045.08  191.627  2950.09  270.872  3140.26  271.131  483.718   22.424  499.208   21.749 -15.49039 31.23922 
1 1 1   -2    5    8 o  100.368   7.3275  126.599   18.238  127.469   25.777  125.727   25.809  100.380   10.436   99.673   10.528 0.7074051 14.82422 
1 1 1   -2    5    9 o  225.857   8.9872  638.243   50.688  636.624   71.668  639.863   71.700  224.970   12.810  225.548   12.783 -0.5773773 18.09673 
1 1 1   -2    5   10 o  171.262   11.717  369.379   49.809  325.049   70.213  414.289   70.671  159.631   17.923  180.824   15.810 -21.19341 23.89963 
1 1 1   -2    5   11 o  370.693   12.749  1724.23  118.014  1742.23  166.938  1706.24  166.855  371.718   17.984  367.822   18.166 3.896149 25.56215 
1 1 1   -2    5   12 o  249.106   11.345  777.680   70.570  686.999  122.131  823.133   86.466  232.111   21.309  255.721   13.589 -23.61017 25.27285 
1 1 1   -2    5   13 o  368.542   14.527  1704.85  133.693  1754.74  231.797  1679.98  163.656  371.135   25.159  365.339   17.938 5.795441 30.89952 
1 1 1   -2    5   14 o  226.078   10.824  639.679   61.108  531.545  105.814  693.789   74.852  204.369   21.034  234.990   12.804 -30.62125 24.62465 
1 1 1   -2    5   15 o  679.694   30.116  5853.94  511.169  5658.19  722.710  6049.91  723.094  661.450   44.005  684.839   42.492 -23.38885 61.17183 
1 1 1   -2    5   16 o  959.295   41.882 11779.31  1003.29 11432.94  1418.45 12126.09  1419.28  930.372   61.398  959.835   59.507 -29.46326 85.50339 
1 1 1   -2    5   17 o  234.551   19.642  695.167  113.988  695.167  113.988   0.0000   0.0000  234.551   19.642  ?   ?  0.000000 19.64216 
1 1 1   -2    5   18 o  1159.16   50.629 17325.00  1465.51 17310.79  2072.80 17339.20  2072.28  1137.17   73.384  1138.20   73.299 -1.023438 103.7206 
1 1 1   -2    5   19 o  833.331   36.459  8818.32  758.707  8758.99  1073.24  8877.59  1072.70  821.638   52.584  827.440   52.182 -5.801575 74.08131 
1 1 1   -2    5   20 o  343.536   17.122  1479.30  146.887  1514.24  208.669  1444.99  206.803  346.057   24.301  337.944   24.676 8.113770 34.63285 
1 1 1   -2    5   21 o  203.020   12.788  517.873   64.502  570.909   92.980  468.673   89.554  212.633   17.671  192.340   18.889 20.29269 25.86617 
1 1 1   -2    5   22 o  334.715   17.032  1408.97  141.889  1426.30  202.407  1392.22  198.960  335.534   24.322  331.504   24.201 4.030457 34.31114 
1 1 1   -2    5   23 o  215.668   18.909  589.065  100.808   0.0000   0.0000  589.065  100.808  ?   ?   215.668   18.909 0.000000 18.90891 
1 1 1   -2    5   24 o  372.713   18.364  1747.59  170.915  1744.03  243.334  1751.06  240.119  369.928   26.517  370.794   26.099 -0.8657837 37.20628 
1 1 1   -2    5   25 o  485.261   22.426  2979.68  271.760  3061.09  386.122  2899.76  382.556  487.603   31.886  474.250   32.499 13.35336 45.52912 
1 1 1   -2    5   26 o  391.680   19.239  1938.08  188.177  1898.12  268.060  1976.91  264.226  384.133   28.141  392.465   27.127 -8.332458 39.08646 
1 1 1   -2    5   27 o  446.908   21.485  2536.95  239.774  2402.33  340.483  2669.39  337.716  429.428   31.980  453.908   29.963 -24.48013 43.82339 
1 1 1   -2    5   28 o  214.322   13.879  580.618   73.883  563.708  108.232  595.374  101.104  209.529   20.967  215.922   18.942 -6.393036 28.25620 
1 1 1   -2    5   29 o  296.762   15.840  1115.66  116.959  1166.21  169.395  1069.61  161.683  301.191   22.689  288.400   22.632 12.79071 32.04649 
1 1 1   -2    5   30 o  232.434   14.119  683.738   81.562  714.913  120.777  657.602  110.588  235.911   20.711  226.477   19.752 9.434372 28.61957 
1 1 1   -2    5   31 o  312.439   16.537  1239.71  128.567  1277.78  186.835  1205.47  177.191  314.344   23.982  305.524   23.402 8.820007 33.50862 
1 1 1   -2    5   32 o  288.858   22.364  1076.15  160.060   0.0000   0.0000  1076.15  160.060  ?   ?   288.858   22.364 0.000000 22.36381 
1 1 1   -2    5   33 o  211.188   14.247  565.742   74.694  567.011  115.265  564.822   98.073  209.050   22.430  209.772   18.926 -0.7218475 29.34803 
1 1 1   -2    5   34 o  432.808   21.311  2401.79  230.327  2360.16  331.457  2440.67  320.292  421.409   31.730  429.918   30.022 -8.509491 43.68229 
1 1 1   -2    5   35 o  292.475   16.685  1090.06  121.356  1072.41  181.397  1104.36  163.277  286.215   25.652  291.984   22.568 -5.769531 34.16647 
1 1 1   -2    5   36 o  260.787   24.852  891.647  159.887  891.647  159.887   0.0000   0.0000  260.787   24.852  ?   ?  0.000000 24.85217 
1 1 1   -2    5   37 o  139.102   28.653  264.736   96.218  264.736   96.218   0.0000   0.0000  139.102   28.653  ?   ?  0.000000 28.65311 
1 1 1   -2    5   38 o  242.666   14.898  752.602   89.844  880.156  146.124  675.074  113.922  258.613   22.862  227.551   20.260 31.06281 30.54760 
1 1 1   -2    5   39 o   63.668   17.221   54.000   28.042 -27.5469   86.889   63.481   29.627   60.838   27.352   68.879   17.260 -8.040699 32.34249 
1 1 1   -2    5   40 o  126.958   14.773  209.551   45.960  248.521  102.530  199.752   51.414  130.388   31.779  123.064   17.200 7.323593 36.13519 
1 1 1   -2    5   41 o  199.639   19.104  530.407   94.076   0.0000   0.0000  530.407   94.076  ?   ?   199.639   19.104 0.000000 19.10374 
1 1 1   -2    5   42 o   71.999   17.030   70.762   30.139   64.639  105.162   71.310   31.458   79.756   32.810   72.140   17.615 7.615814 37.23991 
1 1 1   -2    5   43 o  176.107   15.796  410.603   68.729  415.130  139.641  409.155   78.955  159.796   35.873  174.035   18.449 -14.23897 40.33932 
1 1 1   -2    5   44 o  196.369   15.796  512.780   76.803  638.458  156.611  472.984   88.128  201.815   32.155  185.839   19.270 15.97636 37.48671 
1 1 1   -2    5   45 o  210.337   38.185  772.313  193.180  772.313  193.180   0.0000   0.0000  210.337   38.185  ?   ?  0.000000 38.18507 
1 1 1   -2    5   46 o  248.135   16.685  838.362  102.784  921.782  172.656  792.570  127.920  240.885   29.306  234.062   22.149 6.822830 36.73473 
1 1 1   -2    6    1 o  513.830   16.434  3314.19  210.874  3412.50  298.329  3216.01  298.114  520.076   22.971  504.725   23.652 15.35162 32.97123 
1 1 1   -2    6    2 o  228.217   9.3707  651.382   53.403  649.641   75.531  653.123   75.517  227.328   13.364  227.943   13.325 -0.6152649 18.87180 
1 1 1   -2    6    3 o  300.763   10.951  1131.96   82.247  1080.14  116.231  1183.93  116.399  293.006   15.945  307.277   15.169 -14.27084 22.00821 
1 1 1   -2    6    4 o  167.946   11.747  354.793   48.955  335.805   69.213  373.804   69.253  162.640   17.308  171.836   16.335 -9.196045 23.79907 
1 1 1   -2    6    5 o  237.059   13.615  706.466   80.260  674.396  113.450  738.599  113.561  230.695   19.887  241.654   18.971 -10.95840 27.48459 
1 1 1   -2    6    6 o  157.580   7.9536  311.231   31.197  305.646   44.114  316.818   44.124  155.839   11.415  158.698   11.206 -2.859467 15.99637 
1 1 1   -2    6    7 o  597.600   18.526  4492.80  276.461  4420.91  390.875  4564.76  391.075  590.482   26.508  600.154   26.094 -9.671692 37.19682 
1 1 1   -2    6    8 o  350.857   12.218  1542.70  107.053  1560.34  151.438  1525.08  151.352  352.219   17.218  348.189   17.407 4.029938 24.48365 
1 1 1   -2    6    9 o  811.889   35.455  8517.59  718.828  7635.30  1015.14  9404.89  1018.02  750.090   54.569  839.465   48.773 -89.37482 73.18886 
1 1 1   -2    6   10 o  276.563   14.898  964.104  102.513  1036.99  145.026  891.321  144.926  285.694   20.463  264.355   22.158 21.33975 30.16187 
1 1 1   -2    6   11 o  321.605   16.465  1305.40  131.791  1303.48  186.375  1307.32  186.386  319.602   23.517  320.086   23.482 -0.4840088 33.23366 
1 1 1   -2    6   12 o  477.014   17.829  2866.73  212.381  2726.72  259.911  3148.06  368.425  464.011   22.431  495.023   29.945 -31.01184 37.41435 
1 1 1   -2    6   13 o  123.977   8.7903  193.233   27.038  234.324   47.163  173.118   32.998  135.945   14.098  117.011   11.439 18.93432 18.15515 
1 1 1   -2    6   14 o  103.486   8.7419  134.870   22.380  148.143   39.084  128.395   27.298  107.675   14.938  100.686   11.038 6.988602 18.57369 
1 1 1   -2    6   15 o  429.512   15.288  2312.15  163.980  2576.43  284.735  2181.00  200.583  451.210   25.373  416.688   19.277 34.52188 31.86528 
1 1 1   -2    6   16 o  324.310   13.432  1316.63  108.783  1250.44  188.616  1349.62  133.161  314.233   24.224  328.152   16.250 -13.91898 29.16916 
1 1 1   -2    6   17 o  381.499   14.546  1822.29  138.577  2022.29  240.720  1723.16  169.476  400.189   24.202  370.675   18.309 29.51367 30.34694 
1 1 1   -2    6   18 o  612.610   39.422  4797.13  599.874  4797.13  599.874   0.0000   0.0000  612.610   39.422  ?   ?  0.000000 39.42186 
1 1 1   -2    6   19 o  993.102   43.290 12608.24  1073.57 12583.25  1518.48 12633.22  1518.05  978.157   62.492  980.219   62.341 -2.062195 88.27039 
1 1 1   -2    6   20 o  754.307   33.125  7206.94  623.951  7328.67  882.981  7085.53  881.821  753.826   47.143  740.778   47.926 13.04724 67.22647 
1 1 1   -2    6   21 o  267.728   14.675  900.357   97.736  954.740  139.437  847.834  137.032  274.967   20.453  258.882   21.388 16.08533 29.59394 
1 1 1   -2    6   22 o  194.495   12.623  475.484   60.976  532.914   88.379  423.313   84.236  205.382   17.395  182.685   18.730 22.69724 25.56163 
1 1 1   -2    6   23 f  220.798   13.405  612.933   73.563  656.445  106.418  573.112  101.804  227.785   18.879  212.653   19.384 15.13208 27.05809 
1 1 1   -2    6   24 o  368.584   26.007  1729.15  237.842   0.0000   0.0000  1729.15  237.842  ?   ?   368.584   26.007 0.000000 26.00739 
1 1 1   -2    6   25 f  121.538   12.881  187.274   38.498  141.988   58.392  222.094   51.202  103.940   23.096  132.018   15.848 -28.07747 28.01057 
1 1 1   -2    6   26 o  552.545   25.226  3885.87  348.069  3947.35  493.913  3825.22  490.591  550.390   36.137  541.556   36.489 8.834412 51.35485 
1 1 1   -2    6   27 o  517.599   23.843  3413.40  308.185  3491.64  437.913  3336.62  433.795  517.141   34.101  505.167   34.596 11.97452 48.57746 
1 1 1   -2    6   28 o   95.042   13.619  115.908   31.399   93.909   52.090  128.463   39.352   84.543   23.712   99.618   16.389 -15.07462 28.82490 
1 1 1   -2    6   29 o  214.333   20.774  590.032  109.792  590.032  109.792   0.0000   0.0000  214.333   20.774  ?   ?  0.000000 20.77384 
1 1 1   -2    6   30 o  269.339   15.732  919.748  105.354  851.673  152.977  981.166  145.305  256.494   24.168  276.541   21.203 -20.04642 32.15070 
1 1 1   -2    6   31 o  223.025   14.496  630.323   80.294  592.492  119.377  661.577  108.505  213.917   22.694  227.246   19.303 -13.32944 29.79320 
1 1 1   -2    6   32 o  195.877   14.009  486.478   68.073  458.723  104.026  507.264   90.024  187.879   22.628  198.984   18.323 -11.10539 29.11604 
1 1 1   -2    6   33 o  153.610   13.088  299.498   49.725  355.328   84.368  269.782   61.551  165.504   20.878  144.808   17.368 20.69644 27.15767 
1 1 1   -2    6   34 o  322.264   24.103  1346.72  192.568   0.0000   0.0000  1346.72  192.568  ?   ?   322.264   24.103 0.000000 24.10334 
1 1 1   -2    6   35 o  183.247   18.109  431.511   81.781   0.0000   0.0000  431.511   81.781  ?   ?   183.247   18.109 0.000000 18.10864 
1 1 1   -2    6   36 o  242.804   15.325  750.155   92.444  763.693  144.068  740.680  120.529  241.688   24.196  239.565   20.339 2.123215 31.60884 
1 1 1   -2    6   37 o  230.296   13.716  673.496   78.525  926.573  130.959  531.427   98.121  268.013   19.705  202.630   19.638 65.38284 27.81982 
1 1 1   -2    6   38 o  165.738   27.314  372.063  109.108  372.063  109.108   0.0000   0.0000  165.738   27.314  ?   ?  0.000000 27.31399 
1 1 1   -2    6   39 o  113.363   15.454  167.102   42.608  117.762   94.800  179.593   47.697   94.577   32.835  117.198   16.776 -22.62154 36.87222 
1 1 1   -2    6   40 o  188.540   16.220  461.079   75.624  314.704  129.876  536.166   93.020  145.166   36.003  202.247   18.627 -57.08095 40.53624 
1 1 1   -2    6   41 o  209.064   15.207  566.943   78.846  648.873  142.080  530.485   94.779  215.583   26.983  199.993   19.214 15.58983 33.12490 
1 1 1   -2    6   42 o  126.530   15.809  211.401   48.863  193.073  126.215  214.632   52.995  110.196   37.907  126.910   17.162 -16.71490 41.61152 
1 1 1   -2    6   43 f  144.630   15.860  277.147   56.341  243.610  130.212  284.872   62.494  119.997   38.418  145.756   17.521 -25.75863 42.22421 
1 1 1   -2    6   44 o   74.373   17.594   76.526   32.165 -44.1816  123.399   85.325   33.316   66.412   30.863   78.663   17.420 -12.25138 35.44004 
1 1 1   -2    6   45 o   90.968   17.793  114.640   38.972  -1.3595  120.133  128.284   41.201   69.729   31.675   96.367   17.776 -26.63867 36.32178 
1 1 1   -2    6   46 o  180.486   42.508  630.047  188.426  630.047  188.426   0.0000   0.0000  180.486   42.508  ?   ?  0.000000 42.50799 
1 1 1   -2    6   47 o  125.556   16.279  216.905   49.839  337.366  143.597  200.406   53.142  127.206   40.303  119.112   18.464 8.093208 44.33152 
1 1 1   -2    7    1 o  164.921   8.1294  340.172   33.480  331.669   47.360  348.666   47.336  162.277   11.767  166.440   11.459 -4.162872 16.42438 
1 1 1   -2    7    2 o  245.842   9.7540  756.333   59.881  759.108   84.684  753.557   84.684  245.624   13.863  244.714   13.915 0.9098358 19.64227 
1 1 1   -2    7    3 o  321.882   11.508  1297.56   92.503  1312.06  130.838  1283.06  130.799  322.786   16.284  319.158   16.468 3.627563 23.15958 
1 1 1   -2    7    4 o  318.465   11.356  1270.01   90.311  1211.59  127.634  1328.59  127.804  310.116   16.541  325.292   15.733 -15.17526 22.82858 
1 1 1   -2    7    5 o  303.625   11.012  1154.29   83.492  1117.21  118.006  1191.46  118.146  297.836   15.924  308.067   15.358 -10.23096 22.12304 
1 1 1   -2    7    6 o  411.586   19.442  2134.50  199.823  1984.48  282.313  2285.11  282.871  393.711   28.917  423.303   26.900 -29.59280 39.49408 
1 1 1   -2    7    7 o  557.615   25.201  3946.01  350.917  3746.78  495.922  4145.81  496.623  537.128   37.202  566.191   35.300 -29.06342 51.28473 
1 1 1   -2    7    8 o  240.795   13.776  730.149   82.495  711.636  116.583  748.714  116.749  236.616   19.916  242.848   19.414 -6.231323 27.81256 
1 1 1   -2    7    9 o  310.112   15.665  1212.58  120.920  1041.37  170.580  1385.51  171.437  285.352   24.166  330.335   20.890 -44.98331 31.94326 
1 1 1   -2    7   10 o  518.498   34.593  3493.96  445.338   0.0000   0.0000  3493.96  445.338  ?   ?   518.498   34.593 0.000000 34.59327 
1 1 1   -2    7   11 o  336.919   24.341  1449.52  203.413  1449.52  203.413   0.0000   0.0000  336.919   24.341  ?   ?  0.000000 24.34079 
1 1 1   -2    7   12 o  424.434   14.131  2261.53  149.774  2237.57  211.755  2285.51  211.870  421.005   20.142  425.538   19.938 -4.532806 28.34100 
1 1 1   -2    7   13 o  353.162   12.124  1562.57  106.924  1566.42  151.187  1558.72  151.238  353.000   17.151  352.125   17.199 0.8749084 24.28947 
1 1 1   -2    7   14 o  362.875   14.211  1650.43  128.776  1719.32  223.289  1616.10  157.633  368.220   24.422  358.716   17.597 9.503540 30.10147 
1 1 1   -2    7   15 o  462.145   17.173  2679.18  198.183  2830.28  343.686  2603.91  242.575  472.036   29.301  455.030   21.348 17.00531 36.25329 
1 1 1   -2    7   16 o  211.568   10.146  559.700   53.602  617.311   93.251  531.271   65.506  221.254   17.008  205.640   12.820 15.61415 21.29837 
1 1 1   -2    7   17 o  658.258   23.743  5450.30  390.287  5246.83  675.896  5552.08  478.037  639.352   42.578  663.211   28.864 -23.85895 51.43915 
1 1 1   -2    7   18 o  262.678   11.664  863.016   76.510  557.234  132.159  1017.16   93.833  208.810   25.901  285.105   13.180 -76.29535 29.06162 
1 1 1   -2    7   19 o  448.974   20.791  2530.72  233.107  2661.79  330.437  2400.87  328.893  458.381   29.017  434.914   30.476 23.46716 42.08058 
1 1 1   -2    7   20 o  447.475   17.083  2509.68  190.885  2387.87  330.981  2570.39  233.660  433.580   30.769  452.453   20.680 -18.87366 37.07303 
1 1 1   -2    7   21 o  563.732   25.304  4003.49  356.219  4168.08  504.645  3840.03  502.898  571.706   35.524  548.188   36.952 23.51807 51.25812 
1 1 1   -2    7   22 o  309.680   16.392  1205.72  126.316  1106.82  179.385  1302.99  177.900  295.371   24.542  321.048   22.329 -25.67715 33.17994 
1 1 1   -2    7   23 o  316.601   16.315  1260.78  128.548  1311.11  183.148  1211.90  180.471  321.746   22.945  309.149   23.554 12.59717 32.88299 
1 1 1   -2    7   24 o  370.040   18.205  1721.61  168.220  1735.71  239.316  1707.83  236.508  369.323   26.117  366.356   26.021 2.966949 36.86728 
1 1 1   -2    7   25 o  221.436   19.230  622.380  105.281   0.0000   0.0000  622.380  105.281  ?   ?   221.436   19.230 0.000000 19.23020 
1 1 1   -2    7   26 o  215.312   13.052  583.841   69.846  674.553  102.137  504.157   95.728  230.679   17.870  198.908   19.524 31.77148 26.46761 
1 1 1   -2    7   27 o  307.827   15.976  1196.74  122.386  1277.50  175.914  1120.98  170.377  316.368   22.412  296.009   23.236 20.35910 32.28309 
1 1 1   -2    7   28 o  400.720   19.597  2035.77  196.099  2020.66  279.703  2050.37  275.008  394.967   28.551  398.226   27.829 -3.258942 39.87024 
1 1 1   -2    7   29 f  420.999   19.386  2250.10  203.806  2515.34  291.701  1997.14  284.871  441.202   26.600  391.515   29.351 49.68689 39.61123 
1 1 1   -2    7   30 o   87.525   23.835  101.467   53.500  101.467   53.500   0.0000   0.0000   87.525   23.835  ?   ?  0.000000 23.83456 
1 1 1   -2    7   31 o  348.039   18.273  1541.91  158.255  1457.03  227.311  1621.76  220.457  334.300   27.472  354.010   25.101 -19.70984 37.21239 
1 1 1   -2    7   32 o  125.366   13.589  200.393   41.862  174.211   69.714  215.158   52.352  114.144   25.137  129.327   16.593 -15.18295 30.11990 
1 1 1   -2    7   33 o  317.593   15.586  1275.97  123.610  1511.20  182.604  1077.00  167.939  343.040   21.424  288.536   23.512 54.50388 31.80874 
1 1 1   -2    7   34 o  179.730   13.576  409.751   60.483  454.488   98.653  382.809   76.560  187.245   21.488  172.643   18.024 14.60228 28.04609 
1 1 1   -2    7   35 o  145.937   17.295  274.181   61.803   0.0000   0.0000  274.181   61.803  ?   ?   145.937   17.295 0.000000 17.29523 
1 1 1   -2    7   36 o  377.407   18.052  1814.87  170.128  2047.05  250.789  1616.93  231.555  396.181   25.484  351.267   26.595 44.91342 36.83395 
1 1 1   -2    7   37 o  343.698   17.603  1510.16  150.576  1640.95  224.793  1403.72  202.795  353.797   25.617  327.482   24.987 26.31485 35.78502 
1 1 1   -2    7   38 o  272.449   15.225  946.559  103.170  1139.50  163.917  819.981  132.767  295.560   22.375  250.956   21.390 44.60390 30.95407 
1 1 1   -2    7   39 o  151.177   29.896  317.806  108.866  317.806  108.866   0.0000   0.0000  151.177   29.896  ?   ?  0.000000 29.89649 
1 1 1   -2    7   40 o  128.170   15.318  213.299   48.055  173.016  102.874  224.543   54.350  109.621   34.023  130.982   17.018 -21.36162 38.04216 
1 1 1   -2    7   41 o   75.957   17.196   77.710   31.859  -6.5914   97.420   87.805   33.712   67.006   29.612   80.819   17.230 -13.81294 34.26026 
1 1 1   -2    7   42 o  140.816   16.044  260.895   55.411  153.286  117.280  291.819   62.871  101.562   36.409  148.433   17.285 -46.87077 40.30425 
1 1 1   -2    7   43 o  110.949   15.958  163.902   42.941  155.593  117.137  165.192   46.154  100.391   36.336  110.845   17.234 -10.45415 40.21604 
1 1 1   -2    7   44 o  108.549   17.394  159.714   45.558   0.0000   0.0000  159.714   45.558  ?   ?   108.549   17.394 0.000000 17.39445 
1 1 1   -2    7   45 o  156.069   16.343  326.320   62.749  296.085  149.646  332.770   69.120  125.810   41.257  156.506   18.014 -30.69612 45.01846 
1 1 1   -2    7   46 o  183.979   16.800  457.979   76.333  390.186  150.737  481.360   88.523  144.015   40.318  186.416   19.296 -42.40134 44.69716 
1 1 1   -2    7   47 o  157.693   16.440  339.508   63.789  357.246  150.157  335.602   70.463  131.916   41.132  155.008   18.573 -23.09158 45.13092 
1 1 1   -2    8    1 o  151.269   8.0201  287.077   30.187  279.022   42.747  295.090   42.636  148.732   11.601  153.026   11.236 -4.293259 16.15026 
1 1 1   -2    8    2 f  286.610   10.618  1029.11   75.995  1009.75  107.459  1048.48  107.487  282.993   15.262  288.438   14.974 -5.444397 21.38162 
1 1 1   -2    8    3 o  223.827   9.3047  627.080   52.007  640.336   73.577  613.843   73.522  225.527   13.121  220.758   13.400 4.769363 18.75441 
1 1 1   -2    8    4 o  275.120   10.398  947.945   71.436  948.362  101.026  947.527  101.027  274.363   14.800  274.241   14.807 0.1222534 20.93540 
1 1 1   -2    8    5 o  392.846   13.274  1936.51  130.221  1912.55  184.102  1960.50  184.218  389.413   18.932  394.310   18.709 -4.896973 26.61656 
1 1 1   -2    8    6 f  478.165   15.170  2873.81  181.141  2719.94  255.930  3028.26  256.414  463.467   22.113  489.371   20.982 -25.90405 30.48359 
1 1 1   -2    8    7 o  442.248   14.533  2457.43  160.497  2459.18  226.975  2455.67  226.980  441.012   20.610  440.693   20.625 0.3188171 29.15770 
1 1 1   -2    8    8 o  612.566   19.294  4738.69  295.143  4799.52  417.468  4677.90  417.323  613.042   27.270  605.050   27.620 7.991150 38.81403 
1 1 1   -2    8    9 o  143.009   7.9259  256.638   28.194  235.854   39.813  277.546   39.933  136.643   11.783  148.429   10.849 -11.78526 16.01669 
1 1 1   -2    8   10 o  509.638   18.964  3278.64  241.351  3351.99  295.698  3132.24  417.739  513.979   23.038  491.047   34.282 22.93179 41.30388 
1 1 1   -2    8   11 o  352.333   12.224  1556.61  107.555  1517.16  152.030  1596.15  152.183  346.608   17.623  356.052   17.116 -9.443329 24.56654 
1 1 1   -2    8   12 o  341.594   12.000  1462.27  102.361  1454.78  144.720  1469.78  144.800  339.656   17.117  341.848   16.962 -2.191803 24.09817 
1 1 1   -2    8   13 o  657.343   20.456  5443.33  335.786  5365.21  474.762  5521.53  474.984  649.606   29.267  659.167   28.856 -9.560791 41.09992 
1 1 1   -2    8   14 o  115.804   7.7900  168.380   22.396  183.854   31.682  152.923   31.664  120.763   10.614  109.916   11.717 10.84620 15.80908 
1 1 1   -2    8   15 o  306.441   10.897  1174.66   83.390  1125.47  117.843  1223.99  118.019  299.240   15.826  312.546   15.121 -13.30579 21.88894 
1 1 1   -2    8   16 o  769.528   27.444  7471.55  527.384  7427.01  913.494  7493.82  645.897  757.494   48.548  768.665   33.649 -11.17078 59.06895 
1 1 1   -2    8   17 o  462.447   17.512  2680.92  202.230  2644.30  350.439  2699.20  247.622  456.341   30.935  463.565   21.391 -7.224945 37.61013 
1 1 1   -2    8   18 o  741.813   26.495  6932.16  490.800  6608.50  849.869  7094.12  601.184  715.719   47.826  748.865   32.148 -33.14587 57.62668 
1 1 1   -2    8   19 o  369.013   14.549  1704.80  134.069  1390.01  231.851  1862.93  164.330  330.790   28.341  385.553   17.068 -54.76239 33.08392 
1 1 1   -2    8   20 o  579.319   25.643  4226.63  370.971  3615.67  524.045  4840.35  525.221  531.226   39.793  616.987   34.223 -85.76099 52.48521 
1 1 1   -2    8   21 o  762.427   25.368  7323.32  482.980  8525.11  839.425  6728.58  590.517  815.635   41.348  728.747   32.449 86.88770 52.56081 
1 1 1   -2    8   22 o  455.009   17.260  2596.87  196.119  2487.03  340.469  2651.41  239.922  441.992   31.044  459.270   20.919 -17.27817 37.43457 
1 1 1   -2    8   23 o  376.019   14.523  1771.98  136.374  2065.30  238.482  1629.45  166.236  404.019   23.742  359.685   18.571 44.33380 30.14240 
1 1 1   -2    8   24 o  209.788   13.141  553.630   68.493  607.630   99.049  504.145   94.818  219.099   18.270  199.261   19.297 19.83850 26.57387 
1 1 1   -2    8   25 o  248.538   14.911  778.191   92.116  652.792  131.801  897.930  128.793  225.919   23.716  266.242   19.507 -40.32356 30.70825 
1 1 1   -2    8   26 o  379.808   26.735  1846.67  251.951   0.0000   0.0000  1846.67  251.951  ?   ?   379.808   26.735 0.000000 26.73504 
1 1 1   -2    8   27 o  344.605   17.179  1497.57  147.829  1576.91  211.428  1421.68  206.772  351.106   24.263  333.030   25.047 18.07599 34.87161 
1 1 1   -2    8   28 o  412.388   20.255  2157.46  208.592  2022.37  296.628  2289.60  293.385  394.378   30.353  420.939   28.072 -26.56107 41.34367 
1 1 1   -2    8   29 o  219.238   13.982  607.655   76.152  592.828  111.327  620.695  104.397  214.869   21.017  220.409   19.158 -5.539474 28.43845 
1 1 1   -2    8   30 o  158.279   12.763  317.196   50.019  338.003   76.942  301.967   65.826  162.009   19.405  153.464   17.489 8.545319 26.12285 
1 1 1   -2    8   31 o  611.465   42.201  5098.23  640.441  5098.23  640.441   0.0000   0.0000  611.465   42.201  ?   ?  0.000000 42.20108 
1 1 1   -2    8   32 o  201.923   13.885  516.519   69.587  509.251  105.423  522.130   92.635  198.484   21.619  201.890   18.583 -3.406143 28.50821 
1 1 1   -2    8   33 o   84.923   15.196   93.818   31.043   84.701   62.004   96.868   35.861   81.809   26.544   85.914   17.313 -4.104584 31.69094 
1 1 1   -2    8   34 o  282.625   22.140  1030.01  155.008   0.0000   0.0000  1030.01  155.008  ?   ?   282.625   22.140 0.000000 22.14011 
1 1 1   -2    8   35 o  252.915   23.930  831.605  149.336  831.605  149.336   0.0000   0.0000  252.915   23.930  ?   ?  0.000000 23.92952 
1 1 1   -2    8   36 o  161.093   17.554  333.783   69.473   0.0000   0.0000  333.783   69.473  ?   ?   161.093   17.554 0.000000 17.55395 
1 1 1   -2    8   37 o   67.427   16.894   60.071   28.388   85.581   76.956   56.053   30.542   84.260   29.565   65.304   18.101 18.95600 34.66585 
1 1 1   -2    8   38 o  286.880   16.207  1051.03  115.633  1143.77  179.138  984.785  151.400  295.177   24.525  274.972   22.239 20.20432 33.10667 
1 1 1   -2    8   39 o  154.720   14.259  306.717   54.472  377.871  107.488  282.128   63.187  167.088   26.657  147.374   17.512 19.71396 31.89450 
1 1 1   -2    8   40 o  228.015   26.959  706.687  150.533  706.687  150.533   0.0000   0.0000  228.015   26.959  ?   ?  0.000000 26.95907 
1 1 1   -2    8   41 o  192.872   14.564  479.598   69.627  602.127  129.149  429.391   82.671  210.130   25.110  180.651   18.591 29.47873 31.24299 
1 1 1   -2    8   42 o  150.905   14.251  295.578   53.068  485.243  119.851  249.324   59.186  186.023   26.554  137.068   17.705 48.95566 31.91534 
1 1 1   -2    8   43 o   93.208   15.863  116.100   35.599  210.507  112.291  105.551   37.536  115.152   35.515   88.127   17.671 27.02519 39.66817 
1 1 1   -2    8   44 o   33.901   13.843   6.3360   18.548   18.616  111.773   5.9883   18.808   72.517   31.897   33.925   13.907 38.59139 34.79700 
1 1 1   -2    8   45 o  136.249   17.594  251.194   58.464   0.0000   0.0000  251.194   58.464  ?   ?   136.249   17.594 0.000000 17.59439 
1 1 1   -2    8   46 o  140.370   16.557  266.150   56.921  216.838  149.359  274.529   61.567  107.396   40.628  141.794   17.778 -34.39828 44.34738 
1 1 1   -2    8   47 o  164.590   16.766  369.101   67.947  323.155  151.921  380.590   75.968  125.591   41.588  165.509   18.709 -39.91766 45.60264 
1 1 1   -2    9    1 f  198.007   8.7040  490.751   43.038  494.541   60.966  486.986   60.764  198.138   12.384  196.605   12.441 1.533157 17.55360 
1 1 1   -2    9    2 o  299.227   15.591  1129.86  116.093  1223.56  164.273  1036.37  164.088  310.026   21.349  284.678   23.286 25.34882 31.59107 
1 1 1   -2    9    3 o  256.438   9.8983  823.702   63.386  823.459   89.663  823.945   89.619  255.601   14.102  255.678   14.091 -0.7740784E-01 19.93546 
1 1 1   -2    9    4 o  202.074   8.8858  511.146   44.839  532.350   63.441  489.979   63.384  205.605   12.414  197.147   12.947 8.457764 17.93697 
1 1 1   -2    9    5 o  460.575   14.933  2667.53  171.745  2740.86  242.940  2594.28  242.828  465.280   20.909  452.492   21.490 12.78830 29.98350 
1 1 1   -2    9    6 o  536.076   17.032  3621.42  228.000  3495.40  322.251  3747.73  322.630  524.051   24.625  542.979   23.794 -18.92767 34.24237 
1 1 1   -2    9    7 o  227.363   9.3007  647.223   52.806  615.083   74.590  679.518   74.769  220.892   13.588  232.313   12.940 -11.42099 18.76374 
1 1 1   -2    9    8 f  196.449   8.7841  483.033   43.092  492.780   60.938  473.284   60.946  197.801   12.400  193.796   12.663 4.004318 17.72308 
1 1 1   -2    9    9 o   63.961   11.772   52.908   18.110   0.0000   0.0000   52.908   18.110  ?   ?    63.961   11.772 0.000000 11.77236 
1 1 1   -2    9   10 o  400.345   19.214  2022.52  192.093  2022.52  192.093   0.0000   0.0000  400.345   19.214  ?   ?  0.000000 19.21439 
1 1 1   -2    9   11 o  129.091   7.8201  209.166   25.090  208.574   35.473  209.758   35.493  128.558   11.161  128.929   11.133 -0.3713074 15.76403 
1 1 1   -2    9   12 o  370.498   12.651  1720.16  117.051  1706.30  165.516  1734.03  165.555  368.321   17.995  371.323   17.854 -3.001709 25.34973 
1 1 1   -2    9   13 o  815.149   25.046  8397.53  509.835  8382.55  720.989  8412.51  721.042  809.431   35.670  810.911   35.607 -1.479126 50.40025 
1 1 1   -2    9   14 o  551.362   17.491  3815.00  240.822  3765.65  340.507  3864.40  340.642  546.355   24.957  553.544   24.643 -7.188843 35.07362 
1 1 1   -2    9   15 f  445.686   14.245  2487.62  158.545  2385.94  224.033  2589.64  224.402  435.770   20.588  454.099   19.789 -18.32947 28.55612 
1 1 1   -2    9   16 o  507.780   16.342  3231.14  207.221  3233.76  293.015  3228.52  293.096  507.059   23.141  506.644   23.166 0.4145813 32.74415 
1 1 1   -2    9   17 o  315.782   13.005  1247.81  102.554  1060.16  177.447  1341.93  125.667  289.194   24.812  327.331   15.374 -38.13736 29.18851 
1 1 1   -2    9   18 o  695.801   24.888  6092.60  432.447  5712.21  748.649  6283.09  529.768  666.328   45.261  705.325   30.078 -38.99677 54.34349 
1 1 1   -2    9   19 o  276.386   12.034  955.559   83.056  945.841  144.425  960.361  101.523  273.622   21.305  276.560   14.754 -2.937378 25.91454 
1 1 1   -2    9   20 f  422.043   19.790  2235.54  208.573  2347.75  295.869  2124.70  294.074  430.586   27.663  409.254   28.962 21.33212 40.05014 
1 1 1   -2    9   21 o  357.459   17.718  1602.48  158.154  1584.63  224.491  1620.07  222.845  353.721   25.587  357.768   25.102 -4.046692 35.84453 
1 1 1   -2    9   22 o  270.662   11.497  916.570   77.707  1112.55  136.873  823.359   94.394  297.142   18.539  255.931   14.833 41.21143 23.74248 
1 1 1   -2    9   23 o  526.177   19.566  3480.38  257.093  3320.40  446.033  3559.98  314.615  508.937   35.314  531.319   23.712 -22.38229 42.53656 
1 1 1   -2    9   24 o  375.884   14.839  1772.17  139.288  1374.68  241.867  1969.42  170.378  327.501   29.904  395.936   17.232 -68.43469 34.51374 
1 1 1   -2    9   25 o  390.753   15.473  1917.54  150.985  1751.22  262.939  1999.35  184.421  369.781   28.700  398.503   18.532 -28.72168 34.16300 
1 1 1   -2    9   26 o  265.494   11.545  883.437   76.542  1060.27  136.525  802.374   92.435  289.316   19.003  252.298   14.736 37.01897 24.04647 
1 1 1   -2    9   27 o  251.359   20.532  805.087  127.750   0.0000   0.0000  805.087  127.750  ?   ?   251.359   20.532 0.000000 20.53174 
1 1 1   -2    9   28 o  382.331   18.923  1850.33  180.672  1824.66  257.490  1875.22  253.572  375.868   27.627  381.441   26.791 -5.572815 38.48349 
1 1 1   -2    9   29 o   58.899   15.666   45.308   23.442   21.038   42.738   55.752   28.036   54.079   21.379   65.224   17.029 -11.14542 27.33230 
1 1 1   -2    9   30 o  315.731   16.536  1263.80  129.925  1308.45  186.987  1222.12  180.660  318.790   23.657  308.036   23.667 10.75421 33.46327 
1 1 1   -2    9   31 o  125.868   12.634  201.308   39.176  238.926   63.868  178.616   49.604  135.798   19.384  117.518   17.431 18.28015 26.06890 
1 1 1   -2    9   32 o  174.078   21.124  392.214   89.945  392.214   89.945   0.0000   0.0000  174.078   21.124  ?   ?  0.000000 21.12373 
1 1 1   -2    9   33 o   62.227   16.526   50.771   26.113  -4.8821   54.342   67.479   29.776   52.327   22.638   71.569   16.926 -19.24236 28.26592 
1 1 1   -2    9   34 o  453.341   21.630  2631.31  244.873  2691.18  351.437  2574.81  341.387  451.433   31.370  441.693   31.151 9.740540 44.20884 
1 1 1   -2    9   35 o  112.759   15.070  163.526   41.373   92.832   75.449  193.924   49.474   86.554   29.316  122.614   16.584 -36.06031 33.68182 
1 1 1   -2    9   36 o  135.450   13.892  234.055   46.325  263.213   84.856  221.676   55.291  140.683   25.074  130.998   17.327 9.684402 30.47810 
1 1 1   -2    9   37 o  180.828   18.103  420.769   80.647   0.0000   0.0000  420.769   80.647  ?   ?   180.828   18.103 0.000000 18.10280 
1 1 1   -2    9   38 o  171.432   14.678  375.251   62.231  346.791  107.711  389.511   76.244  160.247   27.932  173.794   17.820 -13.54631 33.13216 
1 1 1   -2    9   39 o  129.192   14.805  214.855   46.901  217.642   96.605  213.995   53.647  124.708   31.121  128.275   17.179 -3.567505 35.54763 
1 1 1   -2    9   40 o  307.743   16.639  1218.87  127.391  1383.92  197.948  1102.18  166.437  322.271   24.787  288.496   23.301 33.77448 34.01977 
1 1 1   -2    9   41 o  211.694   15.838  579.513   83.117  530.408  140.199  606.126  103.212  194.335   29.844  214.680   19.464 -20.34505 35.63015 
1 1 1   -2    9   42 o  138.355   15.462  250.055   52.507  226.844  112.106  256.578   59.428  122.032   34.982  139.345   17.462 -17.31320 39.09782 
1 1 1   -2    9   43 o  151.450   14.651  299.379   54.717  431.940  122.259  266.177   61.186  172.144   29.502  141.321   17.728 30.82297 34.41891 
1 1 1   -2    9   44 o  136.033   16.049  245.471   53.468  178.978  125.277  260.281   59.123  105.431   37.648  139.454   17.353 -34.02376 41.45469 
1 1 1   -2    9   45 o   88.998   16.402  107.413   35.110  203.323  124.318   99.100   36.600  109.600   37.626   84.837   17.842 24.76369 41.64198 
1 1 1   -2    9   46 o  201.245   19.699  557.318   97.729   0.0000   0.0000  557.318   97.729  ?   ?   201.245   19.699 0.000000 19.69938 
1 1 1   -2    9   47 o  147.434   15.986  293.398   57.914  423.828  160.252  273.804   62.112  147.803   41.639  140.965   18.060 6.837570 45.38649 
1 1 1   -2    9   48 o  151.896   16.476  315.957   61.494  344.294  154.250  310.603   67.052  126.762   41.902  149.019   18.410 -22.25723 45.76836 
1 1 1   -2   10    1 o  168.336   8.1646  354.497   34.321  369.985   48.734  339.254   48.345  171.437   11.449  164.077   11.879 7.359650 16.49871 
1 1 1   -2   10    2 o  365.901   12.572  1679.72  114.870  1674.04  162.523  1685.39  162.380  364.393   17.860  365.642   17.784 -1.249207 25.20437 
1 1 1   -2   10    3 o  324.579   11.405  1320.75   92.437  1356.63  130.822  1284.97  130.631  328.323   15.956  319.042   16.452 9.280579 22.91900 
1 1 1   -2   10    4 o  198.718   12.554  497.440   61.976  545.137   87.624  449.693   87.670  207.318   17.077  187.800   18.953 19.51833 25.51188 
1 1 1   -2   10    5 o  221.232   9.3251  612.774   51.517  635.660   72.881  589.919   72.830  224.659   13.047  216.323   13.551 8.336731 18.81078 
1 1 1   -2   10    6 o  197.924   8.8339  490.307   43.662  497.434   61.709  483.164   61.785  198.730   12.498  195.819   12.704 2.910858 17.82115 
1 1 1   -2   10    7 o  302.189   10.946  1144.35   82.602  1109.59  116.741  1179.21  116.893  296.564   15.821  306.228   15.286 -9.664154 21.99900 
1 1 1   -2   10    8 o  263.726   11.254  871.653   74.116  798.261  127.984  908.684   90.911  250.464   20.646  268.703   13.593 -18.23869 24.71919 
1 1 1   -2   10    9 o  105.140   8.9358  139.323   23.239  131.649   28.231  155.453   40.928  101.886   11.286  110.195   15.285 -8.308937 18.99976 
1 1 1   -2   10   10 o  318.161   11.465  1268.14   91.087  1261.67  128.766  1274.62  128.867  316.387   16.354  318.025   16.281 -1.637939 23.07657 
1 1 1   -2   10   11 o  344.577   11.991  1487.35  103.176  1479.90  145.853  1494.81  145.973  343.144   17.021  344.879   16.949 -1.734711 24.02081 
1 1 1   -2   10   12 o  791.269   24.194  7908.93  478.059  7653.72  675.753  8164.64  676.403  773.537   34.983  799.532   33.878 -25.99469 48.69836 
1 1 1   -2   10   13 o  497.724   15.924  3106.77  197.925  3227.86  280.112  2986.02  279.706  506.292   22.155  486.794   23.009 19.49802 31.94204 
1 1 1   -2   10   14 o  408.675   13.447  2091.22  137.235  1978.94  193.893  2203.94  194.268  396.930   19.561  419.011   18.566 -22.08133 26.96939 
1 1 1   -2   10   15 o  405.489   13.406  2058.23  135.750  1920.17  191.742  2196.98  192.218  390.581   19.723  418.461   18.395 -27.87988 26.96917 
1 1 1   -2   10   16 o  300.300   10.925  1127.79   81.925  1093.14  115.751  1162.57  115.969  294.978   15.771  304.280   15.311 -9.301941 21.98092 
1 1 1   -2   10   17 o  315.481   9.3618  1244.12   73.754  1173.57  104.124  1315.16  104.483  306.212   13.617  324.197   12.906 -17.98489 18.76118 
1 1 1   -2   10   18 f  148.394   9.8383  276.498   36.251  244.130   63.404  292.217   44.185  138.256   18.857  152.403   11.699 -14.14667 22.19103 
1 1 1   -2   10   19 o  581.109   21.257  4241.06  308.465  4024.97  534.186  4349.15  377.822  561.206   38.347  587.669   25.746 -26.46246 46.18773 
1 1 1   -2   10   20 o  161.911   9.5985  328.874   38.636  397.065   68.519  297.085   46.782  177.355   15.631  153.605   12.299 23.74994 19.88948 
1 1 1   -2   10   21 o  586.192   25.610  4330.80  374.889  3532.74  529.276  5134.30  531.076  524.241   40.750  635.285   33.596 -111.0438 52.81314 
1 1 1   -2   10   22 o  300.062   13.051  1127.22   97.794  1037.10  170.404  1171.48  119.418  285.909   24.092  305.312   15.716 -19.40253 28.76473 
1 1 1   -2   10   23 o  315.171   13.186  1244.16  103.775  1313.95  181.453  1210.24  126.507  322.124   22.703  310.153   16.392 11.97070 28.00204 
1 1 1   -2   10   24 o  637.708   23.155  5134.76  368.741  4762.37  638.974  5320.70  451.509  604.875   42.574  647.518   27.923 -42.64294 50.91420 
1 1 1   -2   10   25 o  373.591   15.040  1752.30  140.316  1677.33  244.604  1789.07  171.305  362.284   27.237  377.011   18.196 -14.72690 32.75535 
1 1 1   -2   10   26 o  117.044   10.244  172.862   29.640  128.131   56.502  189.845   34.816   98.601   23.314  122.541   11.512 -23.94037 26.00174 
1 1 1   -2   10   27 o  216.345   11.314  588.488   60.909  482.974  108.855  636.580   73.491  193.699   22.951  224.770   13.150 -31.07051 26.45154 
1 1 1   -2   10   28 o  295.448   22.598  1117.28  165.461   0.0000   0.0000  1117.28  165.461  ?   ?   295.448   22.598 0.000000 22.59799 
1 1 1   -2   10   29 o   99.790   10.306  126.212   25.312  126.376   53.271  126.164   28.767   97.688   22.325   99.540   11.803 -1.852081 25.25291 
1 1 1   -2   10   30 o  190.595   10.652  457.344   50.497  460.306   93.766  456.134   59.931  189.232   20.153  190.011   12.704 -0.7794189 23.82266 
1 1 1   -2   10   31 o  239.392   11.825  720.411   70.689  633.472  128.078  758.495   84.770  221.136   23.556  244.937   13.917 -23.80077 27.35975 
1 1 1   -2   10   32 o  339.616   14.005  1454.40  118.771  1512.53  211.530  1427.64  143.532  341.883   24.949  335.220   17.204 6.663788 30.30567 
1 1 1   -2   10   34 o  274.651   23.724  976.824  161.118  976.824  161.118   0.0000   0.0000  274.651   23.724  ?   ?  0.000000 23.72444 
1 1 1   -2   10   35 o   65.462   16.749   56.400   27.492   65.715   63.673   54.266   30.480   75.637   26.858   64.452   18.160 11.18521 32.42128 
1 1 1   -2   10   36 o  187.130   13.757  444.395   63.836  512.611  105.333  404.797   80.253  198.852   21.557  177.408   18.382 21.44389 28.33030 
1 1 1   -2   10   37 o  181.248   14.818  418.495   66.482  361.661  109.793  451.398   83.538  164.317   27.745  187.405   18.075 -23.08789 33.11322 
1 1 1   -2   10   38 o  219.374   19.502  621.327  105.722   0.0000   0.0000  621.327  105.722  ?   ?   219.374   19.502 0.000000 19.50221 
1 1 1   -2   10   39 o  142.996   15.234  262.871   53.563  179.489   99.450  296.942   63.570  113.413   33.075  151.538   17.098 -38.12437 37.23337 
1 1 1   -2   10   40 o  131.472   14.688  222.869   47.399  260.117  100.007  212.078   53.828  136.180   30.199  127.413   17.371 8.767159 34.83882 
1 1 1   -2   10   41 o  234.404   16.570  711.055   96.368  604.099  155.176  778.201  122.951  207.249   30.930  243.092   20.444 -35.84338 37.07615 
1 1 1   -2   10   42 o   30.545   13.033   0.2045   17.550   95.735   93.238  -3.3044   17.869   86.836   32.253   29.383   12.843 57.45354 34.71586 
1 1 1   -2   10   43 o  220.679   29.772  703.269  159.881  703.269  159.881   0.0000   0.0000  220.679   29.772  ?   ?  0.000000 29.77250 
1 1 1   -2   10   44 f  155.478   15.955  319.061   61.070  253.044  128.787  338.213   69.365  123.680   38.015  159.122   17.760 -35.44221 41.95917 
1 1 1   -2   10   45 o   36.170   14.379   9.8314   19.433 -143.1438  112.371   14.548   19.731   54.281   26.359   38.753   14.741 15.52784 30.20078 
1 1 1   -2   10   46 o  204.694   15.997  557.194   81.122  729.653  169.990  506.338   92.311  215.740   32.567  192.285   19.494 23.45474 37.95559 
1 1 1   -2   10   47 o  203.673   19.953  576.492  100.180   0.0000   0.0000  576.492  100.180  ?   ?   203.673   19.953 0.000000 19.95317 
1 1 1   -2   10   48 o   71.982   18.024   73.661   32.327   11.733  158.698   76.342   33.019   75.519   35.064   73.243   18.146 2.275955 39.48124 
1 1 1   -2   11    1 o  123.386   7.8298  191.115   24.000  179.245   34.266  202.546   33.626  119.066   11.675  126.751   10.724 -7.684639 15.85268 
1 1 1   -2   11    2 o  284.285   10.584  1011.83   75.135  1028.73  106.420  995.037  106.094  285.877   14.959  281.112   15.170 4.765686 21.30468 
1 1 1   -2   11    3 o  234.249   9.4021  686.692   54.999  692.020   77.892  681.395   77.669  234.511   13.356  232.689   13.424 1.822235 18.93619 
1 1 1   -2   11    4 o  105.538   7.6184  140.009   19.943  147.580   28.298  132.538   28.111  108.040   10.626  102.255   11.191 5.784904 15.43253 
1 1 1   -2   11    5 o  203.590   12.687  521.757   64.180  527.756   90.655  515.729   90.875  203.934   17.985  201.530   18.256 2.404144 25.62696 
1 1 1   -2   11    6 o  415.069   19.056  2172.00  197.518  2543.71  279.865  1803.10  278.805  446.911   25.180  374.392   30.075 72.51889 39.22385 
1 1 1   -2   11    7 o  213.677   9.1837  571.334   49.004  550.510   69.190  592.292   69.413  209.077   13.322  216.956   12.870 -7.879181 18.52273 
1 1 1   -2   11    8 o  236.447   11.141  700.213   65.784  701.174  114.242  699.736   80.463  235.050   19.643  235.784   13.725 -0.7338409 23.96317 
1 1 1   -2   11    9 o  171.128   8.3582  366.245   35.718  340.539   50.232  392.534   50.799  164.400   12.325  176.656   11.579 -12.25696 16.91142 
1 1 1   -2   11   10 o  234.723   9.6127  689.270   56.344  690.775   79.621  687.760   79.745  234.349   13.665  233.829   13.717 0.5197449 19.36191 
1 1 1   -2   11   11 o  331.349   11.771  1374.54   97.395  1361.62  137.668  1387.49  137.808  328.908   16.818  332.467   16.599 -3.559387 23.62938 
1 1 1   -2   11   12 o  227.864   9.3852  649.292   53.403  639.389   75.450  659.233   75.598  225.539   13.458  229.046   13.274 -3.506393 18.90261 
1 1 1   -2   11   13 o  298.429   11.017  1114.14   82.103  1119.78  116.123  1108.51  116.099  298.486   15.633  296.967   15.711 1.519012 22.16427 
1 1 1   -2   11   14 o  311.625   11.315  1214.80   88.053  1229.76  124.539  1199.85  124.514  312.839   15.995  308.978   16.194 3.861633 22.76157 
1 1 1   -2   11   15 o  222.295   9.3778  617.746   52.057  578.208   73.517  657.506   73.723  214.471   13.800  228.847   12.954 -14.37633 18.92726 
1 1 1   -2   11   16 o  482.983   15.691  2922.16  189.246  2952.77  267.655  2891.55  267.614  484.728   22.112  479.645   22.343 5.083740 31.43470 
1 1 1   -2   11   17 o  172.641   8.6914  373.446   37.350  378.722   52.767  368.148   52.875  173.561   12.253  171.088   12.462 2.472931 17.47685 
1 1 1   -2   11   18 o  380.668   13.037  1813.30  123.933  1808.97  175.211  1817.63  175.325  379.793   18.474  380.704   18.442 -0.9110107 26.10357 
1 1 1   -2   11   19 o  561.627   17.807  3954.86  249.744  4006.52  353.239  3903.23  353.145  564.128   25.075  556.748   25.401 7.379395 35.69233 
1 1 1   -2   11   20 o  195.607   10.590  479.873   51.537  469.372   90.062  484.985   62.843  192.489   18.983  196.442   12.882 -3.952515 22.94157 
1 1 1   -2   11   21 f  407.195   15.765  2077.86  160.303  2045.74  278.129  2093.83  196.162  401.538   27.911  408.393   19.235 -6.854828 33.89695 
1 1 1   -2   11   22 o  734.354   32.136  6846.72  589.316  6116.49  832.747  7579.32  834.091  685.081   49.000  766.107   43.780 -81.02618 65.70946 
1 1 1   -2   11   23 o  507.367   18.468  3234.55  233.990  3594.80  406.974  3056.66  285.985  531.048   30.822  492.308   23.262 38.73996 38.61487 
1 1 1   -2   11   24 o  431.816   16.549  2341.88  178.452  2442.33  310.601  2292.38  218.028  437.568   28.582  426.568   20.468 11.00012 35.15526 
1 1 1   -2   11   25 o  663.165   23.844  5569.00  394.873  5950.38  685.731  5379.79  482.990  675.346   40.853  649.262   29.790 26.08380 50.56098 
1 1 1   -2   11   26 o  282.253   12.235  999.025   86.233  1112.90  152.279  945.268  104.626  296.014   20.731  273.791   15.365 22.22375 25.80433 
1 1 1   -2   11   27 o  115.073   10.250  167.223   29.147  152.846   57.081  172.293   33.899  107.889   21.934  116.607   11.804 -8.718719 24.90882 
1 1 1   -2   11   28 f  203.810   10.268  522.054   52.091  657.650   95.987  465.448   62.018  227.626   17.009  192.018   13.011 35.60768 21.41485 
1 1 1   -2   11   29 o  320.457   23.900  1320.20  189.883   0.0000   0.0000  1320.20  189.883  ?   ?   320.457   23.900 0.000000 23.90018 
1 1 1   -2   11   30 o  173.887   10.697  380.932   46.223  318.133   86.076  406.379   54.793  156.268   22.724  179.370   12.307 -23.10268 25.84246 
1 1 1   -2   11   31 o  336.020   13.735  1422.65  115.253  1553.37  204.856  1362.11  139.409  347.258   23.767  327.552   17.103 19.70526 29.28061 
1 1 1   -2   11   32 o  218.349   10.871  598.822   59.274  725.660  111.828  549.265   69.900  238.221   18.955  208.360   13.507 29.86073 23.27534 
1 1 1   -2   11   33 o  150.790   10.339  286.794   38.695  338.294   80.708  271.423   44.093  161.661   20.449  146.383   12.173 15.27708 23.79817 
1 1 1   -2   11   34 o  150.919   14.196  289.893   52.871  213.025   84.371  339.596   67.845  125.815   27.612  162.842   16.932 -37.02704 32.38984 
1 1 1   -2   11   35 o  183.157   10.634  422.871   48.430  524.080  100.201  392.022   55.321  201.682   20.166  175.968   12.674 25.71394 23.81805 
1 1 1   -2   11   36 o  308.274   13.666  1199.45  105.206  1156.91  193.154  1217.39  125.448  297.472   26.272  309.465   16.290 -11.99365 30.91271 
1 1 1   -2   11   37 o  111.934   10.994  159.091   30.334  193.398   82.326  153.702   32.630  119.329   28.093  109.807   12.101 9.522667 30.58834 
1 1 1   -2   11   38 o  344.555   14.771  1504.44  127.095  1443.97  233.226  1529.98  151.580  329.939   28.590  345.984   17.602 -16.04523 33.57389 
1 1 1   -2   11   39 o  164.543   12.293  343.896   50.146   0.0000   0.0000  343.896   50.146  ?   ?   164.543   12.293 0.000000 12.29298 
1 1 1   -2   11   40 o  189.986   15.005  462.822   70.609  460.319  123.521  464.037   86.056  183.898   27.762  188.979   18.472 -5.081284 33.34558 
1 1 1   -2   11   41 o  190.056   11.770  459.649   55.586  429.952  126.856  466.706   61.839  175.160   30.086  191.112   13.035 -15.95221 32.78838 
1 1 1   -2   11   42 o   45.539   13.844   26.750   17.139   17.960   94.271   27.050   17.430   70.373   30.122   45.808   13.968 24.56512 33.20311 
1 1 1   -2   11   43 o  130.478   14.668  222.241   46.963  354.153  114.993  195.835   51.450  155.427   30.717  121.278   17.494 34.14934 35.34907 
1 1 1   -2   11   44 o   88.081   34.582   99.801  111.116   99.801  111.116   0.0000   0.0000   88.081   34.582  ?   ?  0.000000 34.58246 
1 1 1   -2   11   45 o   42.427   15.617   19.515   21.768   86.924  115.658   17.039   22.164   85.033   34.628   41.341   15.648 43.69153 37.99925 
1 1 1   -2   11   46 o  183.721   16.382  449.746   74.370  466.064  161.271  445.339   83.813  163.861   39.806  181.038   18.814 -17.17702 44.02844 
1 1 1   -2   11   47 o   88.090   16.516  106.333   34.997  357.107  146.384   91.131   36.042  139.265   39.989   80.655   18.313 58.61043 43.98252 
1 1 1   -2   11   48 o   83.841   17.357   98.286   35.143  195.573  161.082   93.424   36.011   99.984   40.808   81.299   18.192 18.68506 44.67949 
1 1 1   -2   12    1 o   91.526   11.044  106.340   24.731   92.662   35.355  119.446   34.608   84.388   17.356   96.509   14.835 -12.12125 22.83250 
1 1 1   -2   12    2 o  418.738   13.862  2197.33  144.945  2185.89  205.138  2208.73  204.830  416.870   19.706  419.063   19.573 -2.193329 27.77468 
1 1 1   -2   12    3 o  524.573   16.536  3454.50  216.615  3577.11  306.586  3332.29  306.096  532.444   23.058  513.711   23.861 18.73358 33.18179 
1 1 1   -2   12    4 o  179.994   8.4826  405.118   38.127  424.750   54.099  385.744   53.742  183.795   11.850  175.057   12.374 8.737503 17.13281 
1 1 1   -2   12    5 o  335.730   11.764  1411.47   98.624  1409.09  139.526  1413.84  139.425  334.953   16.681  335.522   16.641 -0.5695496 23.56188 
1 1 1   -2   12    6 o  230.545   9.4464  664.896   54.384  690.500   76.957  639.353   76.865  234.363   13.203  225.425   13.720 8.938080 19.04102 
1 1 1   -2   12    7 o  265.183   20.771  891.208  136.447   0.0000   0.0000  891.208  136.447  ?   ?   265.183   20.771 0.000000 20.77080 
1 1 1   -2   12    8 o  222.160   18.858  625.017  103.630  625.017  103.630   0.0000   0.0000  222.160   18.858  ?   ?  0.000000 18.85783 
1 1 1   -2   12    9 o  286.042   10.660  1023.80   76.143  1003.12  107.587  1044.56  107.778  282.405   15.313  288.233   15.026 -5.827942 21.45384 
1 1 1   -2   12   10 o  552.574   17.366  3833.10  239.627  3624.36  338.571  4042.61  339.198  535.697   25.309  566.089   23.995 -30.39154 34.87565 
1 1 1   -2   12   11 o  214.493   9.2547  575.268   49.571  583.383   70.067  567.136   70.141  215.453   13.085  212.398   13.291 3.055359 18.65132 
1 1 1   -2   12   12 o  405.387   13.614  2057.90  137.813  1995.09  194.749  2120.89  195.045  398.537   19.568  410.979   19.005 -12.44205 27.27840 
1 1 1   -2   12   13 o  441.289   14.492  2439.04  159.696  2381.37  225.687  2496.88  226.002  435.329   20.761  445.824   20.300 -10.49518 29.03609 
1 1 1   -2   12   14 o  437.041   14.235  2391.70  155.360  2353.72  219.611  2429.76  219.814  432.916   20.314  439.892   20.011 -6.975922 28.51472 
1 1 1   -2   12   15 o  252.326   9.4116  795.911   59.303  655.726   83.450  938.935   84.290  228.361   14.712  273.943   12.322 -45.58192 19.19011 
1 1 1   -2   12   16 o  209.777   8.6328  550.004   45.223  484.838   63.726  616.115   64.186  196.402   13.068  221.634   11.638 -25.23239 17.49896 
1 1 1   -2   12   17 o  393.904   13.354  1941.85  131.358  1910.28  185.665  1973.49  185.871  390.217   19.053  396.649   18.765 -6.431396 26.74262 
1 1 1   -2   12   18 o  562.295   17.839  3964.36  250.486  3867.22  354.063  4061.69  354.420  554.138   25.587  568.013   24.987 -13.87500 35.76321 
1 1 1   -2   12   19 o  690.908   21.475  5997.52  370.513  5938.17  523.870  6056.93  524.100  685.283   30.613  692.184   30.321 -6.901245 43.08710 
1 1 1   -2   12   20 o  191.428   8.1786  457.978   39.096  433.787   54.980  482.722   55.605  185.825   11.911  196.113   11.404 -10.28786 16.48967 
1 1 1   -2   12   21 o  324.947   12.830  1321.72  104.113  1434.19  181.048  1266.16  127.260  337.030   21.626  317.409   16.108 19.62146 26.96581 
1 1 1   -2   12   22 o  423.679   20.220  2256.88  213.932  2166.09  303.211  2346.89  301.884  412.420   29.639  429.733   28.289 -17.31311 40.97261 
1 1 1   -2   12   23 o  908.190   40.055 10619.80  908.410 10264.10  1284.66 10975.53  1284.71  875.841   59.083  907.919   56.952 -32.07764 82.06293 
1 1 1   -2   12   24 o  331.416   13.802  1377.23  114.227  1354.02  199.015  1388.64  139.491  326.222   24.611  332.017   16.880 -5.795044 29.84352 
1 1 1   -2   12   25 o  765.688   27.612  7463.82  527.962  7349.18  915.231  7521.00  646.345  742.676   49.635  764.933   33.837 -22.25684 60.07146 
1 1 1   -2   12   26 o  370.923   15.032  1729.40  139.234  1669.30  242.907  1758.81  169.918  360.752   27.163  373.479   18.219 -12.72781 32.70726 
1 1 1   -2   12   27 o  412.732   15.703  2144.96  161.843  2362.05  282.997  2039.45  197.289  429.023   26.545  401.493   19.678 27.52963 33.04348 
1 1 1   -2   12   28 o  298.269   12.961  1118.07   96.541  1121.86  170.447  1116.28  117.143  295.793   23.263  297.144   15.844 -1.350647 28.14622 
1 1 1   -2   12   29 o  161.784   10.611  329.778   42.633  267.606   79.344  355.013   50.550  143.111   22.980  167.657   12.157 -24.54565 25.99707 
1 1 1   -2   12   30 o  142.834   17.301  261.847   60.450   0.0000   0.0000  261.847   60.450  ?   ?   142.834   17.301 0.000000 17.30059 
1 1 1   -2   12   31 o  212.712   9.9980  567.676   53.108  835.080  101.486  466.834   62.322  256.571   15.918  192.136   13.067 64.43483 20.59454 
1 1 1   -2   12   32 f  307.773   16.243  1201.59  124.399   0.0000   0.0000  1201.59  124.399  ?   ?   307.773   16.243 0.000000 16.24340 
1 1 1   -2   12   33 o  158.038   13.194  316.784   51.592  338.007   82.919  303.378   65.902  161.421   21.073  153.724   17.478 7.697372 27.37836 
1 1 1   -2   12   34 o  401.250   15.421  2035.64  154.519  2348.57  275.186  1891.54  186.736  425.405   26.030  384.894   19.492 40.51099 32.51880 
1 1 1   -2   12   35 o  180.503   13.499  413.107   60.406  466.189   97.950  380.528   76.735  189.863   21.011  172.128   18.125 17.73575 27.74854 
1 1 1   -2   12   36 o  230.658   11.759  671.283   67.505  692.424  131.466  663.713   78.668  230.919   23.109  228.895   13.828 2.024216 26.92976 
1 1 1   -2   12   37 o  212.530   11.293  569.948   59.722  692.503  123.661  532.667   68.204  231.280   21.664  204.999   13.397 26.28081 25.47136 
1 1 1   -2   12   38 o  120.668   10.948  184.739   32.631  242.577   90.065  176.000   35.010  133.717   27.876  117.545   12.100 16.17219 30.38850 
1 1 1   -2   12   39 o  187.383   11.221  444.185   52.267  523.710  117.947  424.753   58.304  199.106   24.221  182.852   12.850 16.25412 27.41875 
1 1 1   -2   12   40 o  119.560   11.337  182.124   33.442  145.652   99.270  186.793   35.518  103.146   33.592  120.972   11.912 -17.82594 35.64154 
1 1 1   -2   12   41 o  374.488   27.948  1906.81  259.474   0.0000   0.0000  1906.81  259.474  ?   ?   374.488   27.948 0.000000 27.94767 
1 1 1   -2   12   42 o   68.935   12.756   62.397   21.150  100.929   98.145   60.520   21.659   89.268   33.104   67.747   13.278 21.52107 35.66710 
1 1 1   -2   12   43 o   72.127   12.642   68.347   21.940   50.848  103.488   69.171   22.450   78.209   32.397   72.512   12.870 5.696930 34.85940 
1 1 1   -2   12   44 o  106.892   11.548  147.583   30.335  142.044  119.261  147.966   31.367   98.275   36.482  106.907   11.954 -8.632607 38.39044 
1 1 1   -2   12   45 o   64.240   17.926   56.488   29.848   10.395  120.039   59.526   30.816   73.487   32.654   65.850   18.154 7.636978 37.36095 
1 1 1   -2   12   46 o  129.925   11.517  218.404   36.980  343.995  144.291  209.576   38.257  140.485   39.487  126.978   12.216 13.50768 41.33395 
1 1 1   -2   12   47 o  106.470   11.797  147.975   30.839  205.350  151.540  145.497   31.498  106.019   40.727  105.412   12.191 0.6067963 42.51262 
1 1 1   -2   12   48 o  124.861   12.051  204.242   37.107  137.018  168.368  207.674   38.042   92.349   39.900  125.809   12.265 -33.45954 41.74224 
1 1 1   -2   13    1 o  277.333   10.474  962.052   72.535  968.507  103.022  955.706  102.144  277.612   14.915  275.769   14.888 1.842804 21.07405 
1 1 1   -2   13    2 o  396.819   18.985  1977.87  188.127  2023.83  266.257  1932.05  265.847  399.348   26.855  390.001   27.473 9.347473 38.41816 
1 1 1   -2   13    3 o   95.623   7.8806  115.065   18.650   93.741   26.859  134.918   25.917   85.565   12.978  103.362   10.173 -17.79716 16.48939 
1 1 1   -2   13    4 f  320.173   11.391  1282.81   91.072  1360.42  129.059  1205.82  128.535  329.387   15.690  309.578   16.688 19.80939 22.90585 
1 1 1   -2   13    5 o  637.649   19.945  5112.06  317.596  5084.51  449.192  5139.59  449.104  633.688   28.386  637.160   28.226 -3.472534 40.03092 
1 1 1   -2   13    6 o  136.341   8.0049  233.160   27.135  249.340   38.621  217.386   38.132  140.729   11.079  131.268   11.757 9.461380 16.15502 
1 1 1   -2   13    7 o  837.741   25.537  8861.98  534.226  8703.98  755.297  9020.16  755.722  825.358   36.646  840.548   36.004 -15.18970 51.37311 
1 1 1   -2   13    8 o  542.653   17.221  3695.35  233.360  3761.59  330.056  3629.13  329.986  546.157   24.200  536.358   24.637 9.799133 34.53460 
1 1 1   -2   13    9 f  208.945   10.172  546.043   53.076  531.654   65.106  574.554   91.645  205.682   12.738  213.287   17.357 -7.604858 21.52988 
1 1 1   -2   13   10 o  271.365   14.749  925.348   99.570  984.230  140.788  866.426  140.837  279.113   20.339  261.552   21.761 17.56110 29.78603 
1 1 1   -2   13   11 o  110.477   9.1822  153.640   25.102  139.032   30.841  182.312   43.208  104.726   12.010  119.740   14.763 -15.01434 19.03123 
1 1 1   -2   13   12 o  561.902   17.802  3960.66  249.800  3885.02  353.125  4036.43  353.416  555.159   25.472  565.970   25.006 -10.81134 35.69465 
1 1 1   -2   13   13 o  298.310   11.069  1113.04   82.459  1092.06  116.435  1134.15  116.795  294.791   15.875  300.464   15.620 -5.673157 22.27133 
1 1 1   -2   13   14 o  296.052   11.025  1096.19   81.508  1119.28  115.146  1072.99  115.393  298.512   15.500  292.214   15.873 6.297974 22.18572 
1 1 1   -2   13   15 o  877.047   26.781  9697.33  586.552  9922.20  829.741  9472.71  829.280  883.042   37.628  862.427   38.506 20.61481 53.83838 
1 1 1   -2   13   16 o  452.163   14.824  2560.26  167.378  2589.90  236.680  2530.61  236.737  454.120   20.871  448.861   21.120 5.259186 29.69290 
1 1 1   -2   13   17 o  641.792   19.857  5170.08  318.247  5062.78  449.849  5277.59  450.291  633.350   28.443  646.782   27.879 -13.43243 39.82782 
1 1 1   -2   13   18 o  299.382   11.161  1121.01   83.444  1144.23  118.025  1097.81  117.992  301.810   15.714  295.569   16.046 6.240936 22.45926 
1 1 1   -2   13   19 o  966.582   29.241 11806.22  705.806 11413.40  997.590 12199.94  998.732  944.226   42.308  976.988   40.936 -32.76208 58.87084 
1 1 1   -2   13   20 o  729.539   22.250  6694.47  405.341  6607.85  573.069  6781.18  573.407  722.053   31.782  731.596   31.386 -9.543457 44.66798 
1 1 1   -2   13   21 o  398.927   13.538  1992.93  134.861  2057.77  190.725  1928.09  190.721  404.801   18.868  391.762   19.495 13.03854 27.13008 
1 1 1   -2   13   22 o  231.730   10.861  671.906   62.851  738.817  109.684  639.195   76.691  241.844   18.297  225.467   13.686 16.37677 22.84914 
1 1 1   -2   13   23 o  664.575   29.590  5613.67  491.058  5136.68  694.258  6091.21  694.664  627.325   44.609  685.779   40.747 -58.45441 60.41723 
1 1 1   -2   13   24 o  589.550   26.440  4410.80  389.250  3830.84  550.066  4992.52  550.901  542.004   40.943  622.239   35.602 -80.23517 54.25684 
1 1 1   -2   13   25 f  370.560   14.821  1724.61  137.152  1713.00  238.693  1730.34  167.577  366.127   26.282  370.640   18.106 -4.513367 31.91471 
1 1 1   -2   13   26 o  467.534   17.954  2756.46  209.615  2487.03  363.749  2890.42  256.483  437.611   33.541  477.739   21.499 -40.12817 39.84013 
1 1 1   -2   13   27 o  188.302   10.664  445.907   49.937  413.255   90.219  460.329   59.959  179.487   20.496  191.060   12.639 -11.57286 24.07957 
1 1 1   -2   13   28 o  241.465   10.832  731.396   65.318  899.820  117.780  656.589   78.495  266.202   17.821  228.038   13.850 38.16359 22.56982 
1 1 1   -2   13   29 o  303.450   13.144  1158.39   99.599  1153.70  175.916  1160.60  120.830  299.454   23.719  302.777   16.038 -3.323700 28.63216 
1 1 1   -2   13   30 f   88.284   11.576   99.566   24.906   27.422   54.124  118.947   28.053   60.872   24.060   96.575   11.883 -35.70290 26.83474 
1 1 1   -2   13   31 o   90.088   18.164  106.517   39.452   0.0000   0.0000  106.517   39.452  ?   ?    90.088   18.164 0.000000 18.16406 
1 1 1   -2   13   32 o  218.374   9.9194  598.371   54.093  992.449  105.615  458.238   62.980  279.918   15.166  190.268   13.340 89.64975 20.19774 
1 1 1   -2   13   33 o  265.079   12.264  884.180   81.179  916.505  148.176  870.317   97.038  266.596   22.467  262.106   14.887 4.489899 26.95141 
1 1 1   -2   13   34 o  472.807   17.494  2836.52  206.547  3259.43  364.675  2636.78  250.621  498.862   29.404  453.690   22.121 45.17212 36.79557 
1 1 1   -2   13   35 o  272.989   16.531  947.740  112.163  833.463  165.521  1044.77  152.521  252.242   26.683  284.886   21.600 -32.64441 34.32959 
1 1 1   -2   13   36 o  209.068   14.370  554.735   74.565  579.162  118.232  538.603   96.083  211.132   22.786  204.756   19.008 6.376343 29.67364 
1 1 1   -2   13   37 o  302.154   12.859  1151.40   97.023  1369.33  182.005  1064.89  114.676  325.468   22.532  289.394   15.930 36.07364 27.59450 
1 1 1   -2   13   38 o  494.843   18.999  3131.00  234.776  3181.36  416.276  3107.51  284.308  484.842   34.609  490.142   23.228 -5.300018 41.68162 
1 1 1   -2   13   39 o  110.289   11.300  154.897   30.683  131.534   90.430  157.937   32.617   99.267   32.040  111.255   11.926 -11.98729 34.18783 
1 1 1   -2   13   40 o  251.795   12.486  802.633   78.510  816.955  158.677  797.991   90.344  247.273   26.091  250.062   14.530 -2.789810 29.86438 
1 1 1   -2   13   41 o  379.317   16.031  1845.43  151.854  1758.98  280.345  1881.33  180.651  355.668   31.904  380.959   18.989 -25.29019 37.12727 
1 1 1   -2   13   42 o  271.663   22.265  984.263  149.720   0.0000   0.0000  984.263  149.720  ?   ?   271.663   22.265 0.000000 22.26549 
1 1 1   -2   13   43 o   62.162   13.349   51.321   20.102   59.461  103.546   51.003   20.492   80.074   32.704   61.912   13.624 18.16268 35.42855 
1 1 1   -2   13   44 o   80.457   11.925   84.452   23.235  249.296  113.459   77.236   23.738  126.215   34.851   76.612   12.864 49.60291 37.14887 
1 1 1   -2   13   45 o   65.158   13.146   56.576   20.653  207.606  120.574   52.011   20.963  112.774   37.036   62.258   13.842 50.51558 39.53802 
1 1 1   -2   13   46 o   79.209   17.442   86.228   33.568  282.913  136.279   73.524   34.635  127.757   39.078   72.685   18.904 55.07198 43.41064 
1 1 1   -2   13   47 o  121.405   11.833  191.797   35.419  182.150  149.651  192.369   36.454  102.383   40.154  121.443   12.185 -19.05906 41.96227 
1 1 1   -2   13   48 o   86.225   12.340   98.361   25.812  365.863  167.567   91.859   26.124  133.368   43.654   83.014   13.031 50.35455 45.55731 
1 1 1   -2   14    1 o  435.814   14.133  2378.95  153.807  2494.41  217.969  2264.44  217.066  445.622   19.587  424.465   20.479 21.15729 28.33793 
1 1 1   -2   14    2 o  166.027   8.5267  345.473   35.233  259.313   50.226  428.946   49.436  143.184   14.236  184.869   10.755 -41.68529 17.84168 
1 1 1   -2   14    3 o  241.828   9.5780  731.242   57.840  731.661   82.192  730.830   81.411  241.331   13.695  241.206   13.571 0.1246490 19.28009 
1 1 1   -2   14    4 o  285.632   15.265  1025.32  108.485  1004.73  153.657  1045.78  153.187  281.752   22.014  287.572   21.487 -5.819672 30.76201 
1 1 1   -2   14    5 o  591.233   18.640  4388.60  275.206  4447.73  389.386  4329.58  389.015  593.601   26.268  585.583   26.603 8.018127 37.38642 
1 1 1   -2   14    6 o  499.712   15.972  3130.48  199.317  3282.65  282.286  2979.19  281.468  510.770   22.132  486.408   23.173 24.36127 32.04351 
1 1 1   -2   14    7 o  304.140   11.973  1157.56   90.934  1318.38  111.642  840.583  156.742  324.461   13.779  257.082   24.720 67.37857 28.30091 
1 1 1   -2   14    8 o  645.447   20.064  5234.18  323.388  5392.01  457.523  5076.60  457.155  653.172   28.050  633.546   28.896 19.62622 40.27129 
1 1 1   -2   14    9 o  478.208   15.549  2865.86  185.686  2861.74  262.551  2869.99  262.647  476.980   22.043  477.670   22.019 -0.6902161 31.15616 
1 1 1   -2   14   10 o  140.523   8.0962  247.615   28.290  237.917   39.719  257.599   40.304  137.405   11.687  143.047   11.377 -5.642395 16.30989 
1 1 1   -2   14   11 o  351.038   12.025  1541.86  105.413  1530.32  148.872  1553.46  149.282  349.350   17.065  351.988   16.984 -2.637939 24.07590 
1 1 1   -2   14   12 o  249.439   14.042  781.510   87.110  851.332  123.247  711.811  123.139  259.747   19.136  237.105   21.015 22.64117 28.42175 
1 1 1   -2   14   13 o  324.117   16.468  1320.01  132.849  1404.09  187.984  1236.12  187.770  333.381   22.716  312.441   24.256 20.94000 33.23212 
1 1 1   -2   14   14 o  408.023   13.764  2084.12  140.243  2090.87  198.183  2077.35  198.484  408.155   19.444  406.823   19.538 1.331787 27.56433 
1 1 1   -2   14   15 o  594.238   18.722  4430.16  277.818  4521.25  392.923  4339.11  392.864  598.932   26.271  586.629   26.818 12.30347 37.54176 
1 1 1   -2   14   16 o  493.317   15.944  3049.18  196.414  3087.90  277.729  3010.43  277.814  495.596   22.441  489.296   22.737 6.300964 31.94631 
1 1 1   -2   14   17 o  375.080   12.777  1760.56  119.671  1673.09  168.988  1848.55  169.494  364.712   18.617  383.942   17.678 -19.22943 25.67292 
1 1 1   -2   14   18 o  460.618   14.447  2657.01  166.172  2570.90  234.787  2743.43  235.219  452.375   20.784  467.393   20.153 -15.01828 28.95012 
1 1 1   -2   14   19 o  597.613   18.601  4482.22  277.591  4328.47  392.276  4636.45  392.871  585.655   26.823  606.339   25.947 -20.68390 37.31868 
1 1 1   -2   14   20 o  608.589   19.169  4651.55  291.320  4556.55  411.794  4746.74  412.184  600.511   27.460  613.056   26.924 -12.54480 38.45753 
1 1 1   -2   14   21 o  396.234   13.493  1966.51  133.514  1965.35  188.687  1967.67  188.947  395.491   19.105  395.722   19.120 -0.2305603 27.02972 
1 1 1   -2   14   22 o  273.542   10.749  936.364   73.424  924.036  103.531  948.839  104.146  270.989   15.362  274.628   15.246 -3.639313 21.64356 
1 1 1   -2   14   23 o  750.381   33.345  7201.90  624.837  6981.99  883.858  7421.61  883.449  727.542   48.933  751.471   47.320 -23.92883 68.07082 
1 1 1   -2   14   24 o  630.379   28.259  5060.27  444.841  4550.13  628.870  5571.15  629.330  588.875   43.064  654.892   38.653 -66.01733 57.86662 
1 1 1   -2   14   25 o  216.580   11.414  589.454   61.513  493.902  107.544  635.917   74.992  196.293   22.337  224.709   13.426 -28.41638 26.06159 
1 1 1   -2   14   26 o  375.018   18.596  1775.69  174.150  1679.50  246.413  1871.69  246.159  361.379   27.512  382.201   25.945 -20.82187 37.81609 
1 1 1   -2   14   27 o  146.706   10.573  271.215   38.473  239.078   70.711  284.729   45.855  135.626   21.603  150.091   12.344 -14.46532 24.88081 
1 1 1   -2   14   28 o  269.311   12.415  911.299   83.494  816.557  147.078  956.349  101.420  251.826   23.666  275.134   14.816 -23.30756 27.92104 
1 1 1   -2   14   29 o  163.705   10.788  337.782   43.854  281.876   81.213  360.794   52.104  146.934   22.878  168.960   12.436 -22.02548 26.03982 
1 1 1   -2   14   30 o  269.224   11.949  911.075   80.336  1025.38  144.238  859.672   96.728  283.073   20.545  260.620   14.925 22.45325 25.39341 
1 1 1   -2   14   31 o  129.481   12.075  212.616   38.592   0.0000   0.0000  212.616   38.592  ?   ?   129.481   12.075 0.000000 12.07478 
1 1 1   -2   14   33 o  188.561   10.068  447.530   47.235  672.617   94.935  373.474   54.454  229.872   16.651  171.758   12.788 58.11392 20.99474 
1 1 1   -2   14   34 o  197.076   11.576  490.048   56.717  380.588  108.438  531.270   66.545  169.671   26.456  204.940   13.071 -35.26918 29.50878 
1 1 1   -2   14   35 o  486.015   18.866  3007.05  228.965  2874.69  402.347  3070.45  278.450  463.385   35.029  488.951   22.805 -25.56577 41.79829 
1 1 1   -2   14   36 o  169.448   11.110  362.560   46.750  339.133   98.582  369.357   53.101  160.080   25.518  170.776   12.539 -10.69661 28.43212 
1 1 1   -2   14   37 o  154.007   11.458  300.112   43.749  189.684   96.196  328.908   49.123  117.636   31.929  161.106   12.303 -43.47050 34.21771 
1 1 1   -2   14   38 o   84.314   15.926   93.091   32.302  118.877   81.323   88.261   35.198   95.053   30.353   81.706   17.758 13.34731 35.16613 
1 1 1   -2   14   39 o  203.029   11.658  521.600   58.859  531.220  127.629  519.001   66.334  199.729   26.223  202.141   13.214 -2.412155 29.36407 
1 1 1   -2   14   40 o  111.065   11.471  157.405   31.357   97.755   95.372  164.635   33.203   89.974   32.753  113.526   11.888 -23.55138 34.84407 
1 1 1   -2   14   41 o  124.734   11.078  198.240   34.146  264.404  106.533  190.665   36.048  136.099   31.901  122.102   11.977 13.99700 34.07551 
1 1 1   -2   14   42 o  322.391   14.200  1330.21  114.319  1410.39  222.782  1301.55  133.191  319.822   28.183  316.899   16.892 2.922821 32.85720 
1 1 1   -2   14   43 o  154.066   17.714  313.451   66.912   0.0000   0.0000  313.451   66.912  ?   ?   154.066   17.714 0.000000 17.71428 
1 1 1   -2   14   44 o   64.843   12.926   55.753   20.197   68.778  108.916   55.290   20.553   82.076   33.534   64.500   13.205 17.57675 36.04030 
1 1 1   -2   14   45 o  193.691   12.143  483.224   58.439  458.193  152.522  487.531   63.267  168.835   37.181  194.056   13.133 -25.22072 39.43255 
1 1 1   -2   14   46 o   66.390   13.239   58.869   21.179 -87.0246  127.451   63.012   21.477   63.585   30.115   68.817   12.974 -5.231846 32.79091 
1 1 1   -2   14   47 o  111.804   11.320  162.228   31.170  437.795  148.125  149.460   31.884  160.597   37.598  106.963   12.152 53.63387 39.51362 
1 1 1   -2   14   48 o   58.708   17.623   47.512   27.904   17.701  161.252   48.432   28.332   78.620   36.085   59.226   17.753 19.39478 40.21538 
1 1 1   -2   15    1 o  774.904   23.854  7566.35  461.588  7685.23  653.186  7447.77  652.383  777.476   33.643  765.165   34.143 12.31079 47.93320 
1 1 1   -2   15    2 o  458.610   14.545  2634.90  166.570  2770.07  236.129  2501.01  235.005  469.505   20.140  445.982   21.101 23.52301 29.16988 
1 1 1   -2   15    3 o  315.227   11.350  1243.20   89.346  1226.44  126.741  1259.77  125.971  312.339   16.306  316.608   15.985 -4.268951 22.83411 
1 1 1   -2   15    4 o  861.872   26.264  9374.21  565.269  9622.46  799.888  9126.55  798.935  868.751   36.871  845.605   37.835 23.14520 52.82936 
1 1 1   -2   15    5 o  146.759   11.767  271.222   42.760   0.0000   0.0000  271.222   42.760  ?   ?   146.759   11.767 0.000000 11.76668 
1 1 1   -2   15    6 o  585.068   37.906  4385.15  550.843  4385.15  550.843   0.0000   0.0000  585.068   37.906  ?   ?  0.000000 37.90644 
1 1 1   -2   15    7 o  350.264   12.172  1535.28  106.462  1582.63  150.747  1488.17  150.373  355.245   16.993  343.987   17.564 11.25742 24.43895 
1 1 1   -2   15    8 o  331.681   11.212  1376.20   92.866  1270.94  131.268  1481.67  131.398  317.959   16.590  343.875   15.302 -25.91620 22.56911 
1 1 1   -2   15    9 o  513.541   16.220  3305.72  208.002  3418.41  294.266  3193.20  294.053  521.264   22.606  503.668   23.379 17.59592 32.52139 
1 1 1   -2   15   10 o  1149.67   34.548 16792.15  991.867 17088.21  1403.04 16496.37  1402.38  1149.91   48.860  1129.13   49.736 20.77954 69.72095 
1 1 1   -2   15   11 o  606.325   18.955  4614.02  286.996  4708.09  405.905  4519.98  405.843  610.946   26.605  598.489   27.155 12.45624 38.01645 
1 1 1   -2   15   12 o  228.324   9.3577  651.730   53.355  633.041   75.201  670.673   75.712  224.475   13.478  231.104   13.174 -6.628754 18.84671 
1 1 1   -2   15   13 o  520.902   16.745  3401.38  217.822  3484.06  308.032  3318.68  308.061  526.196   23.442  513.456   24.026 12.74078 33.56770 
1 1 1   -2   15   14 o  172.466   12.016  373.940   51.429  327.099   72.457  421.496   73.009  160.435   18.420  182.688   16.170 -22.25360 24.51048 
1 1 1   -2   15   15 o  551.934   24.920  3837.04  343.467  3931.95  485.894  3742.25  485.578  555.255   35.225  541.348   36.127 13.90735 50.45770 
1 1 1   -2   15   16 o  555.779   25.077  3891.50  348.033  3763.09  492.062  4020.04  492.325  542.672   36.523  561.385   35.299 -18.71344 50.79290 
1 1 1   -2   15   17 o  420.272   14.116  2211.81  148.151  2396.56  209.575  2027.26  209.460  436.931   19.208  401.114   20.984 35.81766 28.44783 
1 1 1   -2   15   18 o  627.068   19.353  4937.56  303.054  5123.20  428.738  4752.18  428.427  637.058   26.950  613.298   27.974 23.76025 38.84406 
1 1 1   -2   15   19 o  696.173   21.388  6095.73  371.829  6222.69  525.866  5968.79  525.826  700.908   30.044  686.250   30.684 14.65845 42.94370 
1 1 1   -2   15   20 o  502.784   15.753  3169.85  197.785  3030.25  279.336  3310.20  280.086  490.444   22.808  512.780   21.873 -22.33691 31.60120 
1 1 1   -2   15   21 o  312.506   10.968  1222.17   85.592  1119.42  120.522  1326.72  121.576  298.240   16.244  325.279   14.967 -27.03952 22.08806 
1 1 1   -2   15   22 o  623.821   22.680  4911.90  353.309  5016.44  433.007  4703.65  611.123  628.805   27.576  601.953   40.898 26.85248 49.32595 
1 1 1   -2   15   23 o  520.483   23.959  3428.53  311.410  3287.83  440.807  3568.71  439.993  504.668   35.198  526.615   33.634 -21.94690 48.68410 
1 1 1   -2   15   24 o  236.934   14.118  707.136   83.153  697.098  119.019  716.709  116.224  234.091   20.569  237.549   19.772 -3.457947 28.53101 
1 1 1   -2   15   25 o  131.367   12.835  218.581   41.567  178.786   61.983  251.107   56.036  116.965   22.029  140.331   16.294 -23.36581 27.40033 
1 1 1   -2   15   26 o  440.402   16.925  2445.53  186.134  2367.13  323.059  2484.49  227.733  427.674   30.448  442.860   20.593 -15.18558 36.75805 
1 1 1   -2   15   27 o  305.824   13.294  1175.73  101.523  1116.48  177.356  1204.61  123.814  294.762   24.312  308.659   16.119 -13.89755 29.17012 
1 1 1   -2   15   28 o  235.507   11.997  698.514   70.322  539.524  123.383  775.010   85.583  203.869   24.743  247.749   13.889 -43.87953 28.37435 
1 1 1   -2   15   29 o  260.672   12.465  854.423   81.141  667.596  143.017  943.107   98.535  226.515   25.741  273.155   14.497 -46.63994 29.54259 
1 1 1   -2   15   30 o  198.422   10.911  495.855   53.857  519.748   99.132  485.849   64.151  201.176   19.998  196.016   13.182 5.160950 23.95162 
1 1 1   -2   15   31 o   74.246   17.441   72.620   31.787   92.495   54.302   62.259   39.206   83.933   24.430   69.493   20.896 14.44060 32.14752 
1 1 1   -2   15   32 o   63.176   13.610   52.211   20.837   3.5741   53.723   60.823   22.607   54.087   22.932   68.273   13.736 -14.18542 26.73093 
1 1 1   -2   15   33 o  207.077   19.509  550.583   99.696   0.0000   0.0000  550.583   99.696  ?   ?   207.077   19.509 0.000000 19.50939 
1 1 1   -2   15   34 o  199.137   11.332  500.123   56.117  474.092  108.778  509.563   65.506  190.812   23.314  200.673   13.145 -9.860123 26.76392 
1 1 1   -2   15   35 o  238.891   12.348  720.436   73.412  617.195  137.846  761.310   86.735  216.958   25.958  245.159   14.229 -28.20166 29.60230 
1 1 1   -2   15   36 o  185.985   11.074  436.460   51.199  453.364  106.679  431.401   58.359  186.295   23.451  184.589   12.738 1.705963 26.68732 
1 1 1   -2   15   37 o  180.247   11.727  410.746   52.495  278.153  110.335  449.544   59.683  142.399   31.828  188.393   12.762 -45.99352 34.29154 
1 1 1   -2   15   38 o  113.227   11.546  163.124   32.189  118.244   88.639  169.942   34.547   95.626   31.772  115.476   12.163 -19.85050 34.02031 
1 1 1   -2   15   39 o  180.430   15.941  417.287   71.087  269.385  120.590  496.055   88.004  138.110   34.939  196.118   18.176 -58.00786 39.38409 
1 1 1   -2   15   40 o  172.584   11.610  377.956   49.744  292.772  117.022  396.743   54.957  143.789   33.253  176.607   12.543 -32.81888 35.54026 
1 1 1   -2   15   41 o  132.805   10.765  224.278   35.393  418.546  107.317  200.569   37.491  175.981   25.134  125.225   12.142 50.75649 27.91328 
1 1 1   -2   15   42 o  102.690   11.735  135.540   29.551   31.116  103.270  144.854   30.841   75.656   31.920  106.176   11.833 -30.51927 34.04239 
1 1 1   -2   15   43 o  122.625   11.858  193.247   35.859 -35.5820  113.410  218.667   37.799   67.429   30.686  130.547   11.719 -63.11790 32.84809 
1 1 1   -2   15   44 o  105.206   11.895  143.129   30.700   0.0000   0.0000  143.129   30.700  ?   ?   105.206   11.895 0.000000 11.89453 
1 1 1   -2   15   45 o  213.565   16.823  602.717   88.993  552.669  165.838  622.959  105.465  186.486   36.918  214.843   19.883 -28.35767 41.93171 
1 1 1   -2   15   46 o   65.550   13.317   57.435   21.056 -85.8275  129.604   61.319   21.339   64.353   30.447   67.853   13.068 -3.499626 33.13261 
1 1 1   -2   15   47 o   69.968   12.708   65.140   21.386  323.059  148.059   59.644   21.612  133.342   40.723   66.662   13.447 66.67976 42.88566 
1 1 1   -2   15   48 o  101.242   11.846  134.232   29.382  235.028  165.435  130.949   29.857  109.357   42.404   99.829   12.232 9.528015 44.13306 
1 1 1   -2   15   49 o   36.880   14.668   10.978   20.230   0.0000   0.0000   10.978   20.230  ?   ?    36.880   14.668 0.000000 14.66784 
1 1 1   -2   16    1 o  180.870   11.597  411.097   52.102  494.456   77.267  341.590   70.555  197.951   15.761  164.049   17.493 33.90250 23.54608 
1 1 1   -2   16    2 o   98.744   12.974  124.175   31.218   72.262   48.675  160.450   40.689   75.807   23.383  112.178   14.893 -36.37106 27.72298 
1 1 1   -2   16    3 o  271.077   10.423  919.141   70.558  898.994  100.475  938.743   99.108  267.405   15.108  273.334   14.572 -5.929779 20.99097 
1 1 1   -2   16    4 o  143.947   9.0554  260.082   32.385  200.729   46.994  313.760   44.691  125.638   15.294  157.947   11.407 -32.30865 19.07980 
1 1 1   -2   16    5 o  134.490   8.4680  226.990   28.294  200.677   40.689  251.628   39.372  125.926   13.132  141.375   11.245 -15.44839 17.28913 
1 1 1   -2   16    6 o  678.961   21.102  5795.94  357.784  5882.05  506.255  5710.01  505.712  681.667   29.740  671.494   30.159 10.17261 42.35598 
1 1 1   -2   16    7 o  486.809   22.401  2981.88  272.318  3059.46  385.376  2904.51  384.856  490.259   31.647  477.388   32.476 12.87103 45.34586 
1 1 1   -2   16    8 o  361.751   17.763  1641.82  160.463  1708.98  227.209  1574.99  226.649  367.405   24.912  352.435   25.935 14.97079 35.96132 
1 1 1   -2   16    9 o  549.920   17.291  3792.94  237.446  3688.49  335.727  3897.47  335.871  541.001   24.851  556.253   24.180 -15.25189 34.67290 
1 1 1   -2   16   10 o  394.737   12.749  1950.26  125.670  1851.19  177.622  2049.55  177.826  384.065   18.520  404.216   17.617 -20.15112 25.56070 
1 1 1   -2   16   11 o  338.294   12.034  1432.00  101.659  1402.61  143.561  1461.56  143.975  333.984   17.272  341.414   16.887 -7.429810 24.15580 
1 1 1   -2   16   12 o  231.862   9.4955  672.138   54.979  629.896   77.472  714.995   78.035  223.857   13.928  238.635   13.146 -14.77704 19.15184 
1 1 1   -2   16   13 o  466.492   15.310  2726.52  178.344  2903.60  252.297  2549.67  252.137  480.669   21.019  450.220   22.426 30.44907 30.73680 
1 1 1   -2   16   14 o  386.780   13.280  1872.77  128.264  1990.51  181.325  1754.85  181.460  398.295   18.231  373.338   19.532 24.95721 26.71783 
1 1 1   -2   16   15 o  563.235   17.879  3979.95  251.462  4248.03  355.776  3712.33  355.467  580.673   24.535  542.477   26.240 38.19543 35.92408 
1 1 1   -2   16   16 o  544.515   17.413  3719.22  236.778  3702.71  334.679  3735.76  335.031  542.034   24.726  544.464   24.641 -2.430664 34.90793 
1 1 1   -2   16   17 o  162.470   12.124  332.175   48.836  343.295   69.396  321.265   68.737  164.555   17.139  159.060   17.600 5.495148 24.56675 
1 1 1   -2   16   18 o  209.034   13.253  549.343   68.821  484.905   97.620  613.013   97.037  195.372   20.306  220.294   17.791 -24.92223 26.99723 
1 1 1   -2   16   19 o  348.859   17.413  1527.69  151.697  1492.15  214.774  1563.06  214.292  342.875   25.262  351.116   24.595 -8.241211 35.25754 
1 1 1   -2   16   20 o  524.232   23.941  3469.03  313.414  3274.17  443.180  3663.98  443.290  504.923   35.372  535.075   33.342 -30.15176 48.60885 
1 1 1   -2   16   21 o  475.310   21.734  2848.89  257.974  3085.91  365.822  2614.42  363.849  491.663   29.938  451.509   32.487 40.15393 44.17838 
1 1 1   -2   16   22 o  314.483   16.454  1245.98  128.768  1006.27  182.239  1484.98  181.971  280.455   26.329  342.397   21.390 -61.94205 33.92284 
1 1 1   -2   16   23 o  145.919   12.609  268.922   45.494  224.124   66.326  308.724   62.519  131.675   20.867  155.875   16.303 -24.19997 26.48030 
1 1 1   -2   16   24 o  111.573   13.140  158.338   35.907  118.975   54.611  188.315   47.657   95.012   23.215  121.310   16.132 -26.29803 28.26958 
1 1 1   -2   16   25 o  237.753   14.278  713.000   84.375  678.560  120.924  745.675  117.786  230.490   21.248  242.085   19.654 -11.59509 28.94413 
1 1 1   -2   16   26 o  300.276   13.208  1133.01   99.036  915.021  171.719  1241.65  121.229  266.203   26.170  313.974   15.462 -47.77051 30.39635 
1 1 1   -2   16   27 o  258.211   12.315  837.602   79.408  722.055  138.716  893.923   96.846  236.665   23.794  266.024   14.635 -29.35957 27.93436 
1 1 1   -2   16   28 o  399.205   15.999  2012.28  159.489  1746.61  276.878  2144.19  195.110  365.409   30.625  411.140   19.004 -45.73099 36.04240 
1 1 1   -2   16   29 o  200.653   10.704  506.815   53.439  545.487   96.530  489.726   64.169  206.467   18.933  196.825   13.131 9.642471 23.04092 
1 1 1   -2   16   30 o  374.811   18.324  1782.83  171.503   0.0000   0.0000  1782.83  171.503  ?   ?   374.811   18.324 0.000000 18.32353 
1 1 1   -2   16   31 o  155.139   13.888  305.788   53.235  283.660   78.804  324.362   72.201  147.418   22.087  158.781   18.560 -11.36232 28.84917 
1 1 1   -2   16   32 o  125.960   10.447  200.569   32.564  257.659   68.490  183.892   37.016  140.877   20.033  120.238   12.511 20.63953 23.61884 
1 1 1   -2   16   33 f  276.007   13.030  959.716   89.805  841.270  162.063  1012.20  107.883  253.924   25.922  282.568   15.347 -28.64404 30.12398 
1 1 1   -2   16   34 f   76.839   20.866   77.945   41.070   0.0000   0.0000   77.945   41.070  ?   ?    76.839   20.866 0.000000 20.86564 
1 1 1   -2   16   35 o  167.281   11.322  353.470   47.017  316.095   96.943  364.965   53.763  154.316   26.087  169.728   12.778 -15.41168 29.04823 
1 1 1   -2   16   36 o  112.873   11.148  161.752   31.012  216.983   80.922  152.244   33.575  127.131   26.355  109.228   12.536 17.90344 29.18471 
1 1 1   -2   16   37 o  146.306   11.565  271.110   41.908  189.764   96.885  289.833   46.481  117.598   32.095  151.143   12.425 -33.54527 34.41631 
1 1 1   -2   16   38 o  115.273   11.636  169.077   33.037  134.033   90.962  174.402   35.459  100.453   32.104  116.961   12.326 -16.50734 34.38892 
1 1 1   -2   16   39 o  326.827   14.274  1354.38  116.498  1346.91  217.520  1357.39  137.951  318.328   27.638  325.730   17.019 -7.401733 32.45758 
1 1 1   -2   16   40 o  111.450   16.104  161.685   43.519   80.865   97.712  181.684   48.606   86.212   32.802  118.012   16.982 -31.80044 36.93720 
1 1 1   -2   16   41 o  136.895   11.465  238.792   38.831  176.606  110.064  247.633   41.499  111.189   35.291  139.279   12.050 -28.09035 37.29188 
1 1 1   -2   16   42 o  117.421   11.281  176.377   32.671  234.686  110.540  170.796   34.199  125.964   34.243  115.337   12.052 10.62763 36.30153 
1 1 1   -2   16   43 o   85.357   12.413   94.796   25.683 -40.5028  109.635  102.653   26.419   65.663   29.994   88.941   12.218 -23.27792 32.38694 
1 1 1   -2   16   44 o  173.924   11.666  387.862   50.375  428.920  141.195  381.873   53.924  167.249   34.934  172.185   12.629 -4.936707 37.14651 
1 1 1   -2   16   45 o   48.721   13.908   31.505   17.758   40.605  119.192   31.299   17.958   78.315   33.704   48.598   14.021 29.71689 36.50413 
1 1 1   -2   16   46 o   65.900   17.804   59.699   29.992   0.0000   0.0000   59.699   29.992  ?   ?    65.900   17.804 0.000000 17.80422 
1 1 1   -2   16   47 o   94.764   11.840  117.296   27.407  182.560  148.347  114.990   27.887  103.472   40.145   93.687   12.210 9.785179 41.96103 
1 1 1   -2   16   48 o  126.417   11.714  208.122   36.559  215.842  164.395  207.720   37.498  106.421   41.974  126.143   12.050 -19.72193 43.67001 
1 1 1   -2   17    1 o  220.632   9.0714  608.797   49.979  680.092   72.254  543.386   69.208  232.691   12.480  207.812   13.408 24.87849 18.31718 
1 1 1   -2   17    2 o  215.049   9.8820  578.496   53.068  562.462   76.152  593.635   73.994  211.328   14.518  217.232   13.711 -5.903091 19.96904 
1 1 1   -2   17    3 o  104.947   12.783  139.956   32.809  103.215   52.063  164.158   42.256   88.863   23.209  113.406   15.313 -24.54359 27.80516 
1 1 1   -2   17    4 o  340.624   12.048  1452.38  102.481  1521.44  146.023  1385.34  143.863  348.210   16.793  331.757   17.426 16.45215 24.20071 
1 1 1   -2   17    5 o  335.548   11.721  1409.14   98.213  1510.88  139.466  1309.05  138.330  347.090   16.091  322.518   17.238 24.57156 23.58092 
1 1 1   -2   17    6 o  353.353   12.287  1562.92  108.419  1646.99  153.848  1479.97  152.811  362.313   17.004  342.902   17.908 19.41098 24.69488 
1 1 1   -2   17    7 o  218.601   9.3369  597.513   50.969  644.478   72.649  551.991   71.525  226.518   12.897  209.487   13.749 17.03046 18.85097 
1 1 1   -2   17    8 o  574.373   17.825  4140.40  255.671  4510.61  362.186  3772.68  360.965  598.199   24.246  546.594   26.445 51.60547 35.87774 
1 1 1   -2   17    9 o  622.620   27.679  4899.72  430.351  5184.13  609.172  4616.36  608.045  635.740   38.554  598.783   40.909 36.95721 56.21360 
1 1 1   -2   17   10 o  158.753   12.312  317.319   48.427  444.847   68.635  190.898   68.337  187.855   14.750  121.106   23.444 66.74979 27.69751 
1 1 1   -2   17   11 o  136.116   8.0201  232.374   27.140  239.707   38.229  224.923   38.537  137.969   11.192  133.566   11.671 4.402817 16.17053 
1 1 1   -2   17   12 o  531.943   16.976  3549.16  225.505  3627.16  318.910  3471.15  318.915  536.583   23.800  524.810   24.334 11.77222 34.03841 
1 1 1   -2   17   13 o  340.060   11.867  1447.11  100.777  1432.13  142.276  1462.20  142.767  337.911   16.861  341.451   16.744 -3.540649 23.76203 
1 1 1   -2   17   14 o  258.881   10.308  838.224   66.637  865.236   93.947  810.872   94.534  262.416   14.391  253.945   14.974 8.471481 20.76822 
1 1 1   -2   17   15 o  204.448   8.8827  522.570   45.350  479.979   63.540  566.793   64.746  195.355   13.101  212.448   12.256 -17.09248 17.94000 
1 1 1   -2   17   16 o  411.117   13.739  2117.04  141.051  2102.68  199.164  2131.49  199.790  409.063   19.497  411.866   19.425 -2.802795 27.52231 
1 1 1   -2   17   17 o  339.291   12.081  1441.03  102.359  1478.26  144.495  1403.54  145.021  343.231   16.858  333.936   17.451 9.294952 24.26428 
1 1 1   -2   17   18 o  174.717   8.6721  381.677   37.837  365.828   52.740  398.486   54.313  170.472   12.476  177.977   12.296 -7.505234 17.51659 
1 1 1   -2   17   19 o  273.433   10.307  935.490   70.377  874.469   98.945  997.971  100.121  263.621   15.093  281.786   14.275 -18.16513 20.77424 
1 1 1   -2   17   20 o  354.079   17.602  1575.86  155.639  1575.71  220.474  1576.02  219.740  351.959   25.253  352.017   25.163 -0.5816650E-01 35.64964 
1 1 1   -2   17   21 o  468.691   21.887  2773.82  256.164  2684.63  362.497  2862.79  362.044  457.181   31.953  472.615   30.845 -15.43457 44.41173 
1 1 1   -2   17   22 o  323.703   16.819  1321.41  135.487  1234.36  192.144  1407.50  191.075  310.961   24.954  332.668   23.145 -21.70749 34.03532 
1 1 1   -2   17   23 o  464.615   21.808  2732.16  253.025  2674.33  358.344  2789.67  357.322  455.255   31.719  465.381   30.923 -10.12656 44.29789 
1 1 1   -2   17   24 o  186.279   13.154  437.794   60.797  366.752   87.274  504.775   84.742  168.921   21.153  199.407   17.186 -30.48651 27.25478 
1 1 1   -2   17   25 o   85.126   11.747   92.618   24.307   92.604   44.476   92.624   29.025   83.846   21.223   84.696   14.228 -0.8497238 25.55067 
1 1 1   -2   17   26 o  168.314   9.2431  355.973   38.701  340.282   54.503  371.930   54.964  163.967   13.429  171.551   12.925 -7.583908 18.63843 
1 1 1   -2   17   27 o  320.262   13.685  1290.97  109.449  1164.66  190.139  1353.55  133.847  300.213   25.607  326.957   16.446 -26.74408 30.43352 
1 1 1   -2   17   28 o  347.765   14.733  1525.15  127.950  1203.85  222.128  1684.68  156.525  303.131   29.727  364.853   17.180 -61.72174 34.33393 
1 1 1   -2   17   29 o  146.787   11.140  272.169   40.531  270.222   74.547  272.986   48.293  144.078   21.367  146.646   13.333 -2.568085 25.18575 
1 1 1   -2   17   30 o  263.966   22.291  897.454  145.561  897.454  145.561   0.0000   0.0000  263.966   22.291  ?   ?  0.000000 22.29079 
1 1 1   -2   17   31 o  114.702   10.782  166.688   30.519  226.348   61.413  147.123   35.170  132.102   19.177  107.240   13.427 24.86237 23.41038 
1 1 1   -2   17   32 o  211.158   11.087  561.836   58.258  589.432  107.976  550.503   69.193  214.017   20.452  208.583   13.354 5.433914 24.42622 
1 1 1   -2   17   33 o   95.504   12.054  116.546   28.108  136.109   63.483  111.776   31.348  100.775   25.272   93.145   13.903 7.629555 28.84353 
1 1 1   -2   17   34 o  303.375   17.394  1171.86  131.227  1031.62  190.457  1298.62  181.065  280.484   27.547  317.160   23.018 -36.67673 35.89841 
1 1 1   -2   17   35 f  245.162   21.077  774.556  127.784   0.0000   0.0000  774.556  127.784  ?   ?   245.162   21.077 0.000000 21.07727 
1 1 1   -2   17   36 o   66.493   14.353   57.983   23.135  125.469   73.792   50.626   24.363   96.931   28.555   62.039   15.710 34.89194 32.59104 
1 1 1   -2   17   37 o  127.005   11.464  204.671   35.965  206.649   90.040  204.296   39.231  122.984   29.662  126.685   12.567 -3.700508 32.21394 
1 1 1   -2   17   38 o  192.410   11.602  468.164   55.483  490.778  119.432  461.940   62.654  192.586   25.458  190.761   13.234 1.824463 28.69244 
1 1 1   -2   17   39 o  186.670   11.015  440.657   51.120  712.843  121.041  381.568   56.397  234.163   20.920  173.180   13.139 60.98268 24.70372 
1 1 1   -2   17   40 o  137.560   11.303  240.547   38.483  302.461  107.970  231.537   41.188  147.409   30.343  134.700   12.383 12.70816 32.77226 
1 1 1   -2   17   41 f  120.084   15.588  187.499   45.641  202.490  107.881  184.231   50.371  118.267   34.437  118.396   17.570 -0.1280212 38.66008 
1 1 1   -2   17   42 o  139.386   11.404  248.064   39.348  244.682  115.401  248.509   41.856  128.149   35.050  139.304   12.154 -11.15462 37.09784 
1 1 1   -2   17   43 o  131.867   11.624  222.997   37.885  152.726  123.392  230.310   39.808  102.933   37.288  133.903   12.033 -30.97028 39.18172 
1 1 1   -2   17   44 o   91.289   11.963  108.207   26.615  159.309  123.673  105.726   27.253  102.974   37.326   90.080   12.448 12.89456 39.34737 
1 1 1   -2   17   45 o  138.306   11.409  246.144   39.053  314.289  140.462  240.435   40.656  137.259   39.093  136.448   12.056 0.8112030 40.91017 
1 1 1   -2   17   46 o   76.631   12.744   77.548   23.530   30.966  141.379   78.875   23.863   80.312   35.573   77.275   12.815 3.036819 37.81143 
1 1 1   -2   17   47 o   50.410   16.872   32.541   24.987   0.0000   0.0000   32.541   24.987  ?   ?    50.410   16.872 0.000000 16.87208 
1 1 1   -2   17   48 o  156.997   12.572  321.914   48.875   0.0000   0.0000  321.914   48.875  ?   ?   156.997   12.572 0.000000 12.57199 
1 1 1   -2   18    1 o  180.516   9.1611  408.742   41.161  385.926   60.333  428.609   56.298  174.849   13.934  184.533   12.287 -9.684082 18.57749 
1 1 1   -2   18    2 o  200.333   8.8765  501.999   44.406  533.086   64.620  474.183   61.126  205.872   12.631  194.115   12.680 11.75751 17.89710 
1 1 1   -2   18    3 o  741.809   32.896  7029.33  609.377   0.0000   0.0000  7029.33  609.377  ?   ?   741.809   32.896 0.000000 32.89603 
1 1 1   -2   18    4 o  289.872   15.799  1057.54  113.929  1057.54  113.929   0.0000   0.0000  289.872   15.799  ?   ?  0.000000 15.79864 
1 1 1   -2   18    5 o  145.559   11.397  266.830   41.097  322.639   62.887  225.231   54.294  159.563   15.998  132.916   16.728 26.64754 23.14683 
1 1 1   -2   18    6 o  498.073   16.110  3112.65  200.371  3096.98  283.729  3128.24  283.006  495.581   22.927  498.112   22.752 -2.531982 32.29981 
1 1 1   -2   18    7 o  427.390   14.218  2289.19  151.741  2306.52  214.994  2271.98  214.197  428.212   20.106  424.982   20.183 3.229980 28.48860 
1 1 1   -2   18    8 o  464.814   14.966  2708.50  173.712  2866.18  246.142  2552.03  245.193  477.285   20.652  450.171   21.811 27.11392 30.03707 
1 1 1   -2   18    9 o   96.733   8.7949  117.958   21.013  123.373   30.495  113.063   28.995   98.453   12.700   94.189   12.647 4.263893 17.92275 
1 1 1   -2   18   10 o  106.024   8.4794  141.429   22.262  132.562   31.927  149.821   31.058  102.098   12.804  108.798   11.611 -6.699783 17.28453 
1 1 1   -2   18   11 o  127.390   12.485  205.112   39.207  261.365   55.431  148.792   55.464  143.524   15.723  106.852   21.530 36.67168 26.66040 
1 1 1   -2   18   12 o  413.969   19.712  2154.31  203.771  2366.75  288.383  1942.48  287.969  431.844   26.875  390.321   29.769 41.52313 40.10555 
1 1 1   -2   18   13 o  697.016   21.703  6116.68  377.750  6158.87  534.161  6074.47  534.276  696.534   30.710  691.662   30.933 4.871887 43.58844 
1 1 1   -2   18   14 o  517.705   16.558  3362.96  214.067  3379.26  302.586  3346.62  302.886  517.692   23.406  515.156   23.545 2.536560 33.19920 
1 1 1   -2   18   15 o  614.768   19.098  4750.67  293.184  4721.09  414.383  4780.33  414.868  610.766   27.169  614.628   27.030 -3.861633 38.32477 
1 1 1   -2   18   16 o  577.669   18.196  4192.97  262.484  4076.01  370.810  4310.42  371.608  567.653   26.159  583.940   25.484 -16.28650 36.52007 
1 1 1   -2   18   17 o  504.207   16.322  3191.23  205.516  3244.48  290.447  3137.84  290.840  507.081   22.937  498.581   23.360 8.499939 32.73818 
1 1 1   -2   18   18 o  161.304   8.8687  326.397   35.586  327.966   49.505  324.719   51.191  161.336   12.382  160.470   12.883 0.8661957 17.86877 
1 1 1   -2   18   19 o  378.557   12.971  1796.19  122.622  1761.74  172.880  1831.06  173.953  374.169   18.502  381.498   18.260 -7.328979 25.99515 
1 1 1   -2   18   20 o  634.137   19.898  5069.97  315.090  5197.93  445.526  4941.92  445.683  639.106   27.916  622.854   28.654 16.25244 40.00446 
1 1 1   -2   18   21 o  514.280   16.335  3325.93  209.781  3806.06  297.059  2848.29  296.292  548.668   21.681  472.984   25.176 75.68463 33.22514 
1 1 1   -2   18   22 o  207.618   9.4444  539.614   48.966  546.577   68.518  532.347   70.002  208.277   13.243  205.468   13.722 2.809357 19.06989 
1 1 1   -2   18   23 f  343.764   12.325  1482.71  105.801  1474.46  149.289  1491.04  149.965  341.515   17.565  343.438   17.545 -1.923035 24.82602 
1 1 1   -2   18   24 o  143.966   8.8473  260.477   31.653  243.674   43.855  278.749   45.732  138.716   12.805  148.495   12.448 -9.778320 17.85789 
1 1 1   -2   18   25 f   89.953   9.5094  102.509   21.037  109.597   28.903   94.523   30.678   92.523   12.857   85.425   14.924 7.097809 19.69861 
1 1 1   -2   18   26 o  178.330   9.3783  399.646   41.617  385.100   58.143  414.927   59.594  174.445   13.451  181.145   13.267 -6.699661 18.89266 
1 1 1   -2   18   27 o  126.732   9.0235  202.288   28.370  191.014   39.524  214.270   40.747  122.523   13.122  129.913   12.723 -7.390121 18.27773 
1 1 1   -2   18   28 o  578.140   21.703  4267.94  313.326  4146.22  543.488  4328.54  383.465  554.728   39.492  579.076   26.518 -24.34735 47.56872 
1 1 1   -2   18   29 o  149.447   10.619  281.825   39.373  267.567   74.491  287.353   46.382  143.276   21.482  150.621   12.443 -7.344666 24.82540 
1 1 1   -2   18   30 o  182.626   11.169  420.646   50.693  378.506   91.868  439.095   60.785  170.678   22.071  186.249   13.154 -15.57195 25.69376 
1 1 1   -2   18   31 o  106.462   11.996  144.355   31.336   54.652   60.167  177.744   36.708   71.243   26.003  118.160   12.636 -46.91712 28.91061 
1 1 1   -2   18   32 o  177.506   10.819  397.324   47.727  443.428   89.875  379.217   56.325  185.553   19.698  172.990   13.137 12.56284 23.67624 
1 1 1   -2   18   33 o  276.616   12.648  963.720   87.367  927.557  156.420  980.117  105.328  267.556   23.655  278.019   15.229 -10.46341 28.13338 
1 1 1   -2   18   34 o  374.583   15.527  1775.55  145.244  1596.15  255.621  1861.09  176.505  347.983   29.701  382.441   18.482 -34.45847 34.98150 
1 1 1   -2   18   35 o   91.851   14.251  108.996   31.629   0.0000   0.0000  108.996   31.629  ?   ?    91.851   14.251 0.000000 14.25126 
1 1 1   -2   18   36 o   91.167   21.655  110.821   48.569   0.0000   0.0000  110.821   48.569  ?   ?    91.167   21.655 0.000000 21.65515 
1 1 1   -2   18   37 o   48.478   18.717   19.993   32.124 -75.4066   74.062   42.100   35.652   49.437   23.275   59.341   20.152 -9.904289 30.78667 
1 1 1   -2   18   38 o  134.000   11.570  227.942   38.338  252.492   98.215  223.529   41.641  135.680   29.802  132.455   12.747 3.224808 32.41399 
1 1 1   -2   18   39 o  141.828   11.364  255.315   39.910  353.091  104.290  238.539   43.199  161.841   26.739  136.755   12.798 25.08583 29.64387 
1 1 1   -2   18   40 o  184.626   11.204  432.079   51.410  668.826  123.845  382.789   56.509  225.363   22.299  173.232   13.161 52.13060 25.89316 
1 1 1   -2   18   41 o  199.996   11.803  508.625   58.684  569.529  135.455  494.552   65.112  204.176   27.247  196.709   13.334 7.466385 30.33450 
1 1 1   -2   18   42 o  167.764   16.066  365.855   66.483  281.735  128.638  396.512   77.659  136.340   36.888  173.786   18.163 -37.44548 41.11720 
1 1 1   -2   18   43 o  104.183   11.817  139.968   30.201  195.700  118.134  136.071   31.239  113.147   36.631  102.525   12.457 10.62177 38.69149 
1 1 1   -2   18   44 o   71.618   13.129   67.794   22.615  122.962  121.246   65.806   23.019   94.793   36.426   70.413   13.583 24.37953 38.87643 
1 1 1   -2   18   45 o  107.284   11.816  149.081   31.131  153.593  137.462  148.837   31.962  100.877   38.781  107.080   12.169 -6.203201 40.64501 
1 1 1   -2   18   46 o   64.339   13.630   55.498   21.218  177.784  146.645   52.883   21.444  104.483   40.081   62.677   14.048 41.80588 42.47206 
1 1 1   -2   18   47 o  111.759   11.792  162.450   32.413  224.865  162.147  159.853   33.081  111.021   42.252  110.713   12.166 0.3074493 43.96824 
1 1 1   -2   19    1 o  124.809   12.435  197.336   38.241  259.951   55.193  139.523   53.034  142.902   15.727  103.150   21.295 39.75176 26.47265 
1 1 1   -2   19    2 o  252.519   11.193  799.020   70.585  1031.96  129.580  700.743   84.168  285.567   18.267  235.780   14.364 49.78714 23.23763 
1 1 1   -2   19    3 o  294.183   16.217  1091.36  118.677  1091.36  118.677   0.0000   0.0000  294.183   16.217  ?   ?  0.000000 16.21740 
1 1 1   -2   19    4 o  315.204   11.297  1244.46   88.922  1271.83  126.905  1218.07  124.636  317.743   16.046  310.927   16.107 6.815857 22.73574 
1 1 1   -2   19    5 o  297.110   10.913  1105.28   80.968  1182.38  115.681  1031.23  113.366  306.908   15.094  286.098   15.931 20.81030 21.94598 
1 1 1   -2   19    6 o  396.930   19.670  1984.34  194.975  1737.82  276.719  2227.38  274.764  368.092   30.376  418.288   26.441 -50.19559 40.27170 
1 1 1   -2   19    7 o  333.646   16.623  1398.27  138.503  1457.72  197.338  1340.56  194.440  338.884   23.463  324.754   24.149 14.12964 33.67041 
1 1 1   -2   19    8 o  280.817   10.701  986.999   75.040  1010.99  106.812  963.615  105.445  283.469   15.144  276.703   15.320 6.765991 21.54160 
1 1 1   -2   19    9 o  215.717   9.5276  582.106   51.323  584.578   73.123  579.707   72.053  215.533   13.656  214.648   13.511 0.8852844 19.21081 
1 1 1   -2   19   10 o  101.562   8.8029  129.960   22.105  153.717   32.087  108.501   30.496  110.167   11.850   92.052   13.683 18.11558 18.10088 
1 1 1   -2   19   11 o  501.123   16.185  3152.22  202.538  3220.68  286.650  3083.97  286.215  505.238   22.720  494.292   23.188 10.94669 32.46324 
1 1 1   -2   19   12 o  235.731   9.6991  695.161   57.095  761.509   80.767  628.889   80.722  246.175   13.186  223.479   14.544 22.69632 19.63156 
1 1 1   -2   19   13 o  417.007   19.832  2188.85  206.517  2092.81  290.964  2286.34  293.167  404.938   28.965  423.668   27.866 -18.73035 40.19303 
1 1 1   -2   19   14 o  112.004   13.479  159.477   36.944  180.835   50.673  135.244   53.976  118.693   17.632  101.650   21.909 17.04251 28.12325 
1 1 1   -2   19   15 o  624.752   19.692  4914.40  307.221  4949.15  434.345  4879.62  434.608  624.356   27.858  619.874   28.077 4.482605 39.55207 
1 1 1   -2   19   16 o  389.691   13.115  1903.45  127.630  1829.56  179.988  1978.20  181.010  381.258   18.905  396.546   18.279 -15.28830 26.29683 
1 1 1   -2   19   17 o  117.446   8.7962  173.503   25.610  192.430   35.242  152.323   37.281  123.412   11.571  109.323   13.976 14.08898 18.14392 
1 1 1   -2   19   18 o  371.658   12.566  1731.46  116.621  1679.60  164.319  1784.09  165.541  365.296   18.013  376.554   17.605 -11.25806 25.18732 
1 1 1   -2   19   19 o  410.574   13.699  2115.23  140.452  2055.09  198.079  2176.05  199.185  403.640   19.651  415.445   19.200 -11.80502 27.47365 
1 1 1   -2   19   20 o  413.728   13.808  2148.81  142.663  2059.56  201.134  2239.17  202.383  403.866   19.943  421.271   19.238 -17.40558 27.70994 
1 1 1   -2   19   21 o  127.656   8.7094  204.888   27.598  186.902   37.752  225.532   40.446  121.404   12.638  133.536   12.266 -12.13140 17.61183 
1 1 1   -2   19   22 f  221.027   9.4903  611.798   52.381  596.757   73.181  627.600   75.009  217.544   13.538  223.117   13.526 -5.573059 19.13762 
1 1 1   -2   19   23 o  344.973   12.040  1493.71  103.717  1438.92  145.968  1549.59  147.398  337.194   17.394  350.490   16.841 -13.29529 24.21121 
1 1 1   -2   19   24 o  239.744   9.9942  720.484   59.834  718.703   83.887  722.330   85.367  238.569   14.144  239.131   14.362 -0.5620422 20.15761 
1 1 1   -2   19   25 o  150.811   9.1268  286.022   34.210  279.054   47.704  293.401   49.085  148.406   13.003  152.194   13.041 -3.787613 18.41633 
1 1 1   -2   19   26 o  361.143   12.847  1640.76  115.859  1681.95  163.470  1599.20  164.231  364.345   17.967  354.619   18.611 9.726074 25.86835 
1 1 1   -2   19   27 o  187.345   9.6745  441.372   45.106  486.507   63.294  394.793   64.298  196.176   12.994  176.298   14.740 19.87756 19.64960 
1 1 1   -2   19   28 o  298.264   16.851  1130.02  124.995   0.0000   0.0000  1130.02  124.995  ?   ?   298.264   16.851 0.000000 16.85082 
1 1 1   -2   19   29 o  395.163   28.433  2040.31  278.702  2040.31  278.702   0.0000   0.0000  395.163   28.433  ?   ?  0.000000 28.43317 
1 1 1   -2   19   30 f  201.676   10.845  512.456   54.418  596.376   98.144  475.202   65.390  215.885   18.380  193.676   13.607 22.20888 22.86835 
1 1 1   -2   19   31 o  196.402   11.848  487.007   57.837  345.881  102.610  552.722   70.019  161.585   26.337  208.950   13.491 -47.36577 29.59132 
1 1 1   -2   19   32 o  166.541   11.328  350.323   46.829  379.533   87.190  338.481   55.517  171.154   20.829  163.243   13.747 7.910843 24.95660 
1 1 1   -2   19   33 o  145.671   11.513  268.537   41.540  183.763   78.897  301.049   48.860  116.661   27.527  154.055   12.817 -37.39483 30.36446 
1 1 1   -2   19   34 o  149.448   11.581  282.654   42.883  291.126   84.976  279.759   49.673  148.669   23.683  148.308   13.562 0.3611755 27.29182 
1 1 1   -2   19   35 o  483.300   18.785  2977.39  226.710  2560.90  395.961  3180.51  276.520  434.577   36.833  497.460   22.260 -62.88287 43.03695 
1 1 1   -2   19   36 o  293.908   16.251  1099.32  118.809   0.0000   0.0000  1099.32  118.809  ?   ?   293.908   16.251 0.000000 16.25083 
1 1 1   -2   19   37 o  179.934   19.780  419.246   87.411   0.0000   0.0000  419.246   87.411  ?   ?   179.934   19.780 0.000000 19.78010 
1 1 1   -2   19   38 o   88.900   13.417  102.113   28.858  122.137   84.844   99.494   30.688   96.118   31.036   87.479   14.560 8.638672 34.28148 
1 1 1   -2   19   39 o  121.893   12.209  189.601   36.663  131.945   95.543  199.557   39.703   99.478   32.983  124.926   12.913 -25.44788 35.42044 
1 1 1   -2   19   40 o   68.679   19.433   62.712   34.826  174.284   90.408   43.272   37.738  111.227   31.254   60.052   20.724 51.17466 37.50088 
1 1 1   -2   19   41 o   69.906   19.002   65.581   34.042  173.479   99.499   51.276   36.228  109.907   33.343   63.120   20.270 46.78743 39.02081 
1 1 1   -2   19   42 o  203.221   12.303  527.597   62.139  444.170  142.919  547.045   69.002  173.948   34.121  206.492   13.455 -32.54344 36.67787 
1 1 1   -2   19   43 f  156.292   15.721  319.142   60.524  340.686  129.258  313.092   68.497  149.469   35.210  153.652   18.206 -4.183029 39.63822 
1 1 1   -2   19   44 o  133.234   16.398  234.756   53.405  210.044  131.634  239.625   58.430  114.343   38.723  133.925   17.921 -19.58203 42.66862 
1 1 1   -2   19   45 o  257.760   13.074  858.273   83.877  1016.19  193.769  821.859   93.047  262.921   30.052  250.961   14.914 11.96031 33.54974 
1 1 1   -2   19   46 o  137.560   11.925  244.816   40.558  144.247  153.943  252.317   42.043   98.617   40.030  139.559   12.186 -40.94247 41.84344 
1 1 1   -2   19   47 o   92.207   12.638  111.808   28.335   0.0000   0.0000  111.808   28.335  ?   ?    92.207   12.638 0.000000 12.63830 
1 1 1   -2   20    1 o  252.022   10.306  796.360   64.859  734.719   93.537  853.442   90.012  240.928   15.631  260.090   13.909 -19.16183 20.92379 
1 1 1   -2   20    2 o  365.105   18.182  1684.35  165.775  1596.97  234.465  1771.70  234.418  352.109   26.868  371.555   25.418 -19.44589 36.98597 
1 1 1   -2   20    3 o  401.369   13.479  2023.73  135.103  2150.64  192.317  1900.07  189.837  412.616   18.665  387.099   19.704 25.51703 27.14038 
1 1 1   -2   20    4 o  381.076   13.068  1822.93  124.354  1831.71  176.762  1814.32  174.978  380.955   18.581  379.164   18.480 1.791626 26.20614 
1 1 1   -2   20    5 o  208.773   9.1892  545.575   47.907  608.913   69.736  488.967   65.927  219.940   12.752  196.907   13.489 23.03345 18.56228 
1 1 1   -2   20    6 o  252.732   10.124  799.826   63.898  833.893   91.753  767.747   89.037  257.293   14.337  246.818   14.510 10.47461 20.39838 
1 1 1   -2   20    7 o  497.220   16.089  3108.46  199.766  3055.53  283.069  3160.98  281.958  491.168   23.079  499.719   22.595 -8.550659 32.29786 
1 1 1   -2   20    8 o  220.542   13.743  612.628   75.309  577.925  108.481  644.910  104.630  212.992   20.655  225.477   18.752 -12.48558 27.89808 
1 1 1   -2   20    9 o  110.291   13.264  154.729   35.798   57.054   53.467  234.093   48.195   70.815   24.655  135.812   14.432 -64.99659 28.56795 
1 1 1   -2   20   10 o  404.660   13.639  2054.09  137.826  2112.70  195.323  1995.96  194.511  409.482   19.102  397.918   19.575 11.56366 27.35045 
1 1 1   -2   20   11 o  434.804   14.465  2372.77  157.054  2383.79  222.308  2361.79  221.908  434.686   20.480  432.663   20.539 2.022980 29.00457 
1 1 1   -2   20   12 o  433.361   14.362  2356.87  155.425  2354.39  219.887  2359.34  219.721  432.020   20.382  432.482   20.345 -0.4617615 28.79815 
1 1 1   -2   20   13 o  361.506   12.519  1638.13  113.016  1695.63  159.923  1580.77  159.734  367.123   17.444  353.911   18.135 13.21201 25.16281 
1 1 1   -2   20   14 o  280.469   10.779  985.077   75.496  1051.43  106.667  918.472  106.869  289.009   14.830  269.891   15.927 19.11774 21.76235 
1 1 1   -2   20   15 o  484.790   22.630  2973.55  273.962  3209.97  387.289  2736.77  387.593  499.858   31.182  460.179   33.969 39.67856 46.11096 
1 1 1   -2   20   16 o  539.299   24.596  3690.48  331.244  4149.09  468.762  3233.09  468.138  567.210   33.240  498.050   37.925 69.16006 50.43005 
1 1 1   -2   20   17 o  117.927   8.6672  174.939   25.345  185.734   34.869  162.846   36.904  121.181   11.667  113.155   13.315 8.025993 17.70318 
1 1 1   -2   20   18 o  171.679   8.7896  369.802   37.556  352.487   51.995  388.690   54.304  167.169   12.547  175.601   12.465 -8.431961 17.68595 
1 1 1   -2   20   19 o  309.287   11.275  1199.10   87.079  1146.92  122.305  1252.75  124.008  301.405   16.310  315.542   15.738 -14.13672 22.66503 
1 1 1   -2   20   20 o  210.521   9.2845  554.943   48.809  506.237   67.959  606.836   70.147  200.282   13.670  219.489   12.854 -19.20695 18.76397 
1 1 1   -2   20   21 o  309.597   11.498  1202.39   88.894  1213.71  124.984  1190.79  126.459  309.929   16.205  306.899   16.562 3.029694 23.17126 
1 1 1   -2   20   22 o  422.076   14.005  2240.97  147.609  2209.25  208.076  2273.10  209.432  417.484   19.959  423.524   19.802 -6.039948 28.11541 
1 1 1   -2   20   23 o  243.335   10.092  742.402   61.321  715.224   85.775  770.814   87.700  237.882   14.509  247.033   14.277 -9.150192 20.35557 
1 1 1   -2   20   24 o  107.172   9.1659  144.981   24.295  153.852   32.941  134.402   35.974  109.984   12.199  102.296   14.488 7.688408 18.93984 
1 1 1   -2   20   25 f  144.280   9.0479  261.924   32.434  267.214   44.844  256.121   46.968  145.240   12.486  142.014   13.402 3.226028 18.31708 
1 1 1   -2   20   26 o  155.114   9.2655  302.745   35.726  316.952   49.500  287.299   51.614  158.214   12.634  150.355   13.904 7.859360 18.78696 
1 1 1   -2   20   27 o  229.295   11.424  660.831   65.415  578.161  114.387  701.007   79.741  211.544   21.974  235.452   13.620 -23.90892 25.85277 
1 1 1   -2   20   28 o  219.395   9.8107  604.035   53.750  558.526   74.894  652.372   77.186  209.889   14.376  227.068   13.676 -17.17889 19.84178 
1 1 1   -2   20   29 o  248.521   10.504  775.734   65.189  849.843   91.760  700.217   92.628  259.105   14.236  234.708   15.898 24.39691 21.34033 
1 1 1   -2   20   30 o  199.402   11.403  501.590   56.543  354.479   98.534  573.816   69.041  164.097   24.821  212.997   13.043 -48.89981 28.03926 
1 1 1   -2   20   31 o  407.050   16.501  2100.09  167.726  1959.80  291.781  2169.33  204.977  385.276   30.579  412.308   19.908 -27.03171 36.48826 
1 1 1   -2   20   32 o  125.672   11.603  200.339   36.003  131.311   68.171  227.041   42.398   98.900   26.893  133.626   12.865 -34.72606 29.81190 
1 1 1   -2   20   33 o  224.581   12.334  637.098   68.909  559.069  124.438  671.608   82.756  206.756   24.583  230.109   14.476 -23.35341 28.52869 
1 1 1   -2   20   34 o  177.778   11.796  399.553   52.070  381.528   97.563  406.733   61.572  170.609   23.526  178.953   13.887 -8.344711 27.31854 
1 1 1   -2   20   35 f  452.018   17.782  2600.25  200.724  2618.22  352.491  2591.63  244.180  443.321   32.057  449.157   21.770 -5.835205 38.74999 
1 1 1   -2   20   36 o  147.900   11.677  277.165   42.777  265.019   88.403  280.878   48.881  140.665   26.129  148.572   13.316 -7.906586 29.32638 
1 1 1   -2   20   37 o  211.713   13.768  569.218   72.392   0.0000   0.0000  569.218   72.392  ?   ?   211.713   13.768 0.000000 13.76756 
1 1 1   -2   20   38 o  119.396   20.910  188.714   60.073   0.0000   0.0000  188.714   60.073  ?   ?   119.396   20.910 0.000000 20.91027 
1 1 1   -2   20   39 o  246.167   16.666  778.075  101.845  657.015  155.436  869.145  134.816  220.061   28.991  258.151   21.097 -38.09013 35.85476 
1 1 1   -2   20   40 o  158.051   12.066  318.193   47.263  210.544  108.593  343.349   52.496  120.894   34.353  163.980   12.925 -43.08672 36.70405 
1 1 1   -2   20   41 o  172.331   11.746  378.390   50.246  395.567  122.267  374.900   55.115  167.419   30.363  171.149   12.993 -3.730713 33.02652 
1 1 1   -2   20   42 o   70.176   14.581   65.437   24.717   34.745   99.900   67.438   25.510   75.007   31.507   71.206   14.828 3.800880 34.82148 
1 1 1   -2   20   43 o  155.299   11.830  309.320   45.534  272.749  124.026  315.017   48.952  132.240   36.406  156.442   12.638 -24.20244 38.53735 
1 1 1   -2   20   44 o  183.848   15.493  442.378   70.467  594.812  144.599  394.903   80.697  202.300   29.491  171.576   19.162 30.72365 35.16905 
1 1 1   -2   20   45 o   86.515   36.217   79.611  131.295   79.611  131.295   0.0000   0.0000   86.515   36.217  ?   ?  0.000000 36.21747 
1 1 1   -2   20   46 o  125.633   11.910  204.535   36.918  103.700  150.850  210.959   38.076   91.700   38.627  127.533   12.101 -35.83267 40.47842 
1 1 1   -2   20   47 o   96.913   17.879  129.037   41.674   0.0000   0.0000  129.037   41.674  ?   ?    96.913   17.879 0.000000 17.87863 
1 1 1   -2   21    1 o  200.073   14.563  507.716   72.259   0.0000   0.0000  507.716   72.259  ?   ?   200.073   14.563 0.000000 14.56277 
1 1 1   -2   21    2 o  128.791   14.311  211.564   45.247  211.564   45.247   0.0000   0.0000  128.791   14.311  ?   ?  0.000000 14.31073 
1 1 1   -2   21    3 o  330.533   12.279  1372.93  101.352  1359.17  144.702  1386.18  142.003  327.262   17.773  330.659   17.257 -3.397034 24.77292 
1 1 1   -2   21    4 o  408.716   18.930  2115.66  193.208  2556.11  274.452  1682.93  272.038  446.403   24.716  359.304   30.611 87.09882 39.34374 
1 1 1   -2   21    5 o  269.930   10.256  913.351   69.134  976.705   99.402  853.991   96.217  278.248   14.355  260.032   14.879 18.21634 20.67490 
1 1 1   -2   21    6 o  297.476   11.410  1110.03   84.757  1096.44  121.138  1123.06  118.629  294.451   16.542  298.139   15.992 -3.688080 23.00825 
1 1 1   -2   21    7 o  209.695   9.1647  550.599   47.990  609.560   69.733  497.548   66.146  219.982   12.749  198.570   13.418 21.41226 18.50900 
1 1 1   -2   21    8 o  181.267   8.7681  411.292   39.689  433.473   57.884  391.611   54.525  185.425   12.575  176.217   12.471 9.208542 17.71068 
1 1 1   -2   21    9 o  327.222   11.151  1342.19   91.115  1489.06  129.781  1199.43  127.952  344.097   15.104  308.142   16.690 35.95557 22.50970 
1 1 1   -2   21   10 o  475.531   22.382  2867.32  265.788  2661.02  376.482  3072.30  375.283  452.705   33.541  487.949   30.959 -35.24353 45.64518 
1 1 1   -2   21   11 o  489.862   15.785  3019.02  193.089  3048.72  273.398  2989.47  272.743  490.413   22.325  485.568   22.493 4.844727 31.69121 
1 1 1   -2   21   12 o  429.474   14.213  2317.16  152.434  2280.98  215.727  2353.23  215.421  424.751   20.339  431.516   19.991 -6.765076 28.51855 
1 1 1   -2   21   13 o  311.375   11.648  1215.58   90.569  1202.08  128.156  1229.06  128.012  308.529   16.696  312.025   16.487 -3.496094 23.46469 
1 1 1   -2   21   14 o  269.227   10.412  908.054   70.003  860.022   98.806  956.461   99.192  261.081   15.221  275.510   14.468 -14.42944 21.00018 
1 1 1   -2   21   15 o  208.123   9.2135  542.273   47.884  544.372   67.389  540.133   68.054  207.844   13.050  207.004   13.234 0.8400726 18.58624 
1 1 1   -2   21   16 o  186.403   9.0421  434.983   42.089  396.011   59.081  475.146   59.976  177.070   13.462  194.199   12.433 -17.12871 18.32493 
1 1 1   -2   21   17 o  480.373   22.646  2930.68  271.655  3157.77  383.672  2702.39  384.686  493.990   31.263  455.333   34.079 38.65704 46.24699 
1 1 1   -2   21   18 o  178.992   13.231  404.626   58.718  399.096   80.396  410.949   85.964  176.805   18.482  179.214   19.525 -2.408371 26.88494 
1 1 1   -2   21   19 o  241.162   9.8478  728.750   59.306  722.572   83.065  735.175   84.702  239.311   13.960  241.369   14.114 -2.057724 19.85198 
1 1 1   -2   21   20 o  265.299   10.593  882.621   70.180  904.054   98.473  860.499  100.045  267.553   14.796  260.878   15.426 6.674652 21.37464 
1 1 1   -2   21   21 o  317.071   11.640  1262.24   92.163  1237.25  129.499  1287.89  131.194  312.586   16.650  318.969   16.528 -6.382843 23.46018 
1 1 1   -2   21   22 o  360.419   12.342  1632.70  111.080  1475.64  155.967  1794.36  158.238  340.804   18.395  376.780   16.818 -35.97641 24.92393 
1 1 1   -2   21   23 o  340.788   11.988  1459.67  102.020  1389.24  143.173  1532.32  145.410  330.829   17.391  348.083   16.729 -17.25412 24.13098 
1 1 1   -2   21   24 o  230.798   10.007  668.329   57.675  669.179   80.503  667.433   82.669  229.982   14.085  229.593   14.493 0.3884888 20.21025 
1 1 1   -2   21   25 o  235.008   10.154  693.182   59.590  716.252   83.254  668.948   85.329  237.914   14.076  229.696   14.958 8.217804 20.53927 
1 1 1   -2   21   26 o  193.849   9.5386  471.424   46.174  480.454   64.113  461.694   66.555  194.829   13.257  190.805   14.067 4.023453 19.32955 
1 1 1   -2   21   27 o  272.787   13.031  937.586   88.769  1171.64  151.791  815.932  109.434  302.395   20.218  253.007   17.427 49.38837 26.69187 
1 1 1   -2   21   28 o  193.587   10.127  471.820   48.788  513.276   67.623  426.815   70.458  201.302   13.531  183.041   15.562 18.26093 20.62206 
1 1 1   -2   21   29 o  351.603   12.999  1558.12  114.135  1731.79  161.332  1384.11  161.491  369.283   17.495  328.830   19.758 40.45328 26.39039 
1 1 1   -2   21   30 o  212.130   10.021  565.047   53.082  571.086   74.080  558.675   76.100  212.231   14.057  209.773   14.619 2.458923 20.28093 
1 1 1   -2   21   31 o  122.130   11.852  189.453   35.692  232.802   66.427  171.860   42.319  133.498   20.588  115.650   15.007 17.84819 25.47715 
1 1 1   -2   21   32 o  152.587   11.023  294.244   41.718  231.500   74.987  322.369   50.205  132.247   23.571  159.443   12.715 -27.19615 26.78135 
1 1 1   -2   21   33 o  264.395   12.744  881.209   84.144  770.328  148.987  933.141  101.962  242.833   24.922  271.145   15.119 -28.31186 29.14965 
1 1 1   -2   21   34 o  223.628   12.286  631.997   68.348  669.110  124.408  615.953   81.798  227.122   22.220  220.124   14.970 6.998489 26.79188 
1 1 1   -2   21   35 o  217.433   12.435  597.933   67.238  684.486  126.339  563.730   79.419  229.585   22.319  210.430   15.216 19.15475 27.01221 
1 1 1   -2   21   36 o  200.059   11.900  506.163   59.184  532.937  113.676  496.206   69.320  201.937   22.950  197.558   14.145 4.379761 26.95889 
1 1 1   -2   21   37 o  190.745   11.925  460.660   56.517  438.966  111.738  468.118   65.516  181.880   25.286  191.852   13.767 -9.971939 28.79033 
1 1 1   -2   21   38 o  227.776   14.385  660.976   81.402   0.0000   0.0000  660.976   81.402  ?   ?   227.776   14.385 0.000000 14.38505 
1 1 1   -2   21   39 o  224.850   21.106  661.925  117.119   0.0000   0.0000  661.925  117.119  ?   ?   224.850   21.106 0.000000 21.10564 
1 1 1   -2   21   40 o  150.250   16.220  292.715   59.891  272.220  109.538  301.455   71.530  137.875   32.369  151.345   19.371 -13.47072 37.72226 
1 1 1   -2   21   41 o   96.567   13.268  120.984   31.150   99.174  101.883  123.233   32.717   89.760   33.641   97.316   13.854 -7.555504 36.38152 
1 1 1   -2   21   42 o  219.954   12.506  619.177   68.409  585.506  147.734  628.367   77.182  202.685   30.103  220.878   14.066 -18.19318 33.22705 
1 1 1   -2   21   43 o  148.705   11.952  284.111   44.009  237.749  125.002  290.671   47.020  122.516   37.418  150.168   12.657 -27.65278 39.50087 
1 1 1   -2   21   44 o  103.192   12.565  138.538   31.711   72.166  121.299  143.407   32.854   84.372   35.022  104.935   12.803 -20.56261 37.28887 
1 1 1   -2   21   45 o   50.655   15.374   33.897   21.150 -153.9608  132.908   38.778   21.423   59.699   28.914   53.763   15.252 5.936153 32.68989 
1 1 1   -2   21   46 o   88.955   19.681  110.416   42.562   0.0000   0.0000  110.416   42.562  ?   ?    88.955   19.681 0.000000 19.68150 
1 1 1   -2   22    1 o  167.416   13.918  356.577   57.661  356.577   57.661   0.0000   0.0000  167.416   13.918  ?   ?  0.000000 13.91849 
1 1 1   -2   22    2 o   96.631   10.248  118.599   24.352  101.405   39.158  129.442   31.097   87.666   18.470  100.577   12.662 -12.91131 22.39362 
1 1 1   -2   22    3 o  339.682   12.358  1452.68  104.828  1518.55  149.905  1389.64  146.649  345.471   17.432  330.296   17.846 15.17542 24.94724 
1 1 1   -2   22    4 o  547.995   17.767  3809.82  243.135  3794.48  344.733  3825.01  342.963  542.391   25.452  544.732   25.212 -2.341248 35.82545 
1 1 1   -2   22    5 o  130.266   12.104  215.158   38.922  368.996   57.161   82.169   53.147  170.643   13.525   79.776   24.404 90.86794 27.90163 
1 1 1   -2   22    6 f  232.795   13.923  684.951   80.568  761.557  114.862  610.754  113.040  244.288   18.978  218.055   21.020 26.23306 28.31935 
1 1 1   -2   22    7 o  212.238   9.6070  564.658   50.917  598.185   73.935  534.413   70.223  217.588   13.677  205.600   13.757 11.98766 19.39847 
1 1 1   -2   22    8 o  481.806   15.569  2927.41  187.323  3016.15  265.719  2839.73  264.118  486.720   21.862  472.041   22.406 14.67847 31.30479 
1 1 1   -2   22    9 o  287.680   11.056  1038.37   79.423  1057.58  113.435  1019.89  111.240  289.189   15.767  283.978   15.748 5.210541 22.28481 
1 1 1   -2   22   10 o  158.190   9.4110  314.624   37.009  279.821   53.529  346.494   51.224  148.385   14.637  165.624   12.477 -17.23975 19.23269 
1 1 1   -2   22   11 o  328.536   11.880  1354.94   97.462  1363.68  138.343  1346.31  137.326  328.268   16.934  326.170   16.918 2.097809 23.93703 
1 1 1   -2   22   12 o  216.810   12.077  591.952   65.129  764.424   94.889  438.322   89.555  245.838   15.537  185.018   19.686 60.82005 25.07808 
1 1 1   -2   22   13 o  484.426   15.827  2957.67  191.465  3042.37  270.999  2873.26  270.546  489.114   22.187  475.082   22.805 14.03119 31.81714 
1 1 1   -2   22   14 o  197.818   9.5233  490.274   47.044  416.969   66.443  563.965   66.617  181.405   14.796  211.513   12.671 -30.10823 19.48009 
1 1 1   -2   22   15 o  118.794   8.9555  177.738   26.371  188.211   37.332  167.308   37.256  121.791   12.450  114.622   13.261 7.168808 18.18951 
1 1 1   -2   22   16 f  217.362   9.6487  592.063   52.372  631.980   73.862  551.703   74.271  223.822   13.274  208.887   14.325 14.93491 19.52955 
1 1 1   -2   22   17 o  379.652   13.283  1812.46  125.929  1844.09  177.863  1780.68  178.321  381.639   18.663  374.422   19.136 7.216705 26.72975 
1 1 1   -2   22   18 o  305.858   11.139  1174.09   85.078  1153.72  119.620  1194.94  121.030  301.978   15.919  307.364   15.822 -5.386139 22.44437 
1 1 1   -2   22   19 o  293.710   15.864  1091.92  115.920  1037.47  161.878  1149.22  166.073  284.145   23.011  299.370   22.377 -15.22458 32.09726 
1 1 1   -2   22   20 o  358.811   18.507  1636.53  165.265  1766.81  232.157  1502.67  235.315  370.076   25.272  339.925   27.970 30.15085 37.69606 
1 1 1   -2   22   21 o  265.577   10.375  885.123   68.807  854.371   96.302  917.193   98.346  259.811   14.906  269.276   14.681 -9.465088 20.92133 
1 1 1   -2   22   22 o  364.065   12.646  1667.98  114.967  1616.39  161.632  1720.80  163.562  356.453   18.219  368.380   17.780 -11.92694 25.45727 
1 1 1   -2   22   23 o  611.494   19.488  4759.69  297.578  4675.40  420.041  4844.63  421.640  599.957   28.036  611.057   27.632 -11.10071 39.36437 
1 1 1   -2   22   24 o  182.739   9.2755  419.915   42.189  422.400   57.903  417.104   61.595  182.706   12.771  181.371   13.701 1.334961 18.73020 
1 1 1   -2   22   25 o   77.520   10.426   76.810   19.671   67.486   26.140   88.985   29.870   71.765   15.066   82.676   15.021 -10.91084 21.27484 
1 1 1   -2   22   26 o  105.877   14.427  144.096   37.152   0.0000   0.0000  144.096   37.152  ?   ?   105.877   14.427 0.000000 14.42733 
1 1 1   -2   22   27 o  204.347   13.377  528.841   67.886  528.841   67.886   0.0000   0.0000  204.347   13.377  ?   ?  0.000000 13.37717 
1 1 1   -2   22   28 o  116.398   9.6896  171.233   27.909  202.267   37.743  133.793   41.456  126.179   12.128  101.376   16.976 24.80326 20.86283 
1 1 1   -2   22   29 o  115.495   9.5259  168.550   27.229  176.144   36.705  159.257   40.604  117.558   12.705  111.250   14.998 6.308662 19.65600 
1 1 1   -2   22   30 o  299.895   11.730  1132.01   87.848  1181.47  123.359  1081.10  125.132  304.842   16.264  291.229   17.283 13.61325 23.73229 
1 1 1   -2   22   31 o  217.181   10.385  592.688   56.324  593.073   78.870  592.287   80.462  216.085   14.704  215.861   15.020 0.2230835 21.01929 
1 1 1   -2   22   32 f   95.047   12.769  115.879   29.541  118.014   56.383  115.071   34.682   93.848   23.972   94.191   15.268 -0.3424988 28.42124 
1 1 1   -2   22   33 o  145.960   11.903  270.050   43.006  317.628   81.673  251.797   50.588  155.946   21.548  140.355   14.649 15.59105 26.05630 
1 1 1   -2   22   34 o  138.123   12.480  242.452   42.581  179.191   80.580  266.960   50.155  114.751   28.298  144.664   14.061 -29.91335 31.59922 
1 1 1   -2   22   35 o  141.481   12.391  254.318   43.337  224.331   83.957  265.211   50.599  128.831   26.962  144.110   14.247 -15.27892 30.49501 
1 1 1   -2   22   36 o  242.145   12.924  742.668   77.868  794.300  143.002  720.907   92.839  246.518   23.515  237.749   15.726 8.769348 28.28876 
1 1 1   -2   22   37 o  239.810   12.759  728.916   76.133  644.797  141.588  763.129   90.298  220.240   26.262  244.753   14.844 -24.51282 30.16696 
1 1 1   -2   22   38 o  388.339   16.190  1925.00  157.006  1875.17  281.398  1947.52  189.192  372.068   30.556  388.208   19.579 -16.14056 36.29083 
1 1 1   -2   22   39 o  133.297   13.759  228.190   45.141   0.0000   0.0000  228.190   45.141  ?   ?   133.297   13.759 0.000000 13.75930 
1 1 1   -2   22   40 o   82.529   22.951   92.858   49.016   0.0000   0.0000   92.858   49.016  ?   ?    82.529   22.951 0.000000 22.95060 
1 1 1   -2   22   41 o   61.370   21.338   45.961   40.043   0.0000   0.0000   45.961   40.043  ?   ?    61.370   21.338 0.000000 21.33800 
1 1 1   -2   22   42 o   97.514   13.050  123.685   30.981  214.530  100.839  114.216   32.555  119.696   32.775   93.225   14.452 26.47089 35.81993 
1 1 1   -2   22   43 o  163.353   12.394  343.518   50.183  177.153  125.702  375.060   54.734  107.089   37.768  170.495   12.952 -63.40556 39.92717 
1 1 1   -2   22   44 o   66.320   15.403   59.454   25.021 -120.3709  116.120   68.209   25.622   57.923   27.793   71.254   14.880 -13.33034 31.52542 
1 1 1   -2   22   45 o   80.008   13.823   85.065   26.619  163.423  128.873   81.573   27.206  101.659   37.887   78.096   14.484 23.56351 40.56110 
1 1 1   -2   22   46 o   69.393   14.815   65.141   24.892   0.0000   0.0000   65.141   24.892  ?   ?    69.393   14.815 0.000000 14.81530 
1 1 1   -2   23    1 o  231.048   10.643  672.264   61.404  672.242   89.609  672.283   84.311  229.379   15.739  229.695   14.777 -0.3156586 21.58908 
1 1 1   -2   23    2 o  201.305   13.610  514.927   68.017  538.458  105.345  498.104   89.072  203.489   21.035  196.583   18.357 6.905930 27.91845 
1 1 1   -2   23    3 o  322.263   12.012  1309.33   96.669  1345.83  138.600  1274.75  134.896  324.677   17.156  315.961   17.161 8.715118 24.26563 
1 1 1   -2   23    4 o  324.422   11.941  1326.05   96.737  1381.67  138.699  1273.38  134.990  329.257   16.926  315.961   17.173 13.29538 24.11255 
1 1 1   -2   23    5 o  341.988   12.294  1473.56  104.993  1506.84  150.114  1441.68  146.904  343.808   17.543  336.269   17.555 7.539093 24.81808 
1 1 1   -2   23    6 o  341.497   12.357  1468.77  105.375  1507.03  150.544  1432.03  147.546  343.974   17.585  335.245   17.687 8.728271 24.94117 
1 1 1   -2   23    7 o  124.947   12.951  198.751   39.821  170.721   57.329  224.885   55.354  113.907   20.926  132.096   17.188 -18.18931 27.07969 
1 1 1   -2   23    8 o  246.704   10.277  764.102   63.314  756.059   91.180  771.592   87.984  244.200   15.025  246.871   14.334 -2.671371 20.76548 
1 1 1   -2   23    9 o   98.715   9.4017  123.304   22.896  137.988   35.974  113.306   29.684  103.655   14.277   93.998   12.994 9.657692 19.30440 
1 1 1   -2   23   10 o  270.064   10.393  915.449   70.093  965.389  100.349  867.871   97.947  276.258   14.598  261.786   15.046 14.47174 20.96392 
1 1 1   -2   23   11 o  350.619   12.722  1546.78  111.393  1460.76  158.055  1631.66  157.017  338.722   18.759  358.884   17.520 -20.16196 25.66837 
1 1 1   -2   23   12 o  548.556   17.530  3811.35  240.127  3802.90  339.883  3819.76  339.300  543.952   25.022  545.219   24.921 -1.267212 35.31481 
1 1 1   -2   23   13 o  183.503   9.1591  422.086   41.971  435.889   59.944  408.812   58.785  185.668   13.011  179.749   13.188 5.918915 18.52612 
1 1 1   -2   23   14 o  144.260   12.097  263.417   43.177  253.611   63.545  271.826   58.847  140.228   18.606  145.741   16.458 -5.512909 24.84029 
1 1 1   -2   23   15 o  282.679   11.013  1003.38   77.740  1047.32  109.997  959.542  109.885  287.637   15.370  275.108   16.065 12.52844 22.23285 
1 1 1   -2   23   16 o  129.161   8.9063  210.063   28.551  211.577   40.232  208.527   40.523  129.081   12.644  128.106   12.840 0.9754028 18.02027 
1 1 1   -2   23   17 o  269.278   10.808  910.468   72.677  964.628  102.279  855.232  103.290  276.088   14.890  259.639   16.009 16.44904 21.86314 
1 1 1   -2   23   18 o  388.868   13.379  1904.79  129.925  1874.58  183.374  1935.25  184.111  384.022   19.122  390.270   18.891 -6.247253 26.87996 
1 1 1   -2   23   19 o  284.432   10.846  1016.15   77.039  1012.00  108.296  1020.41  109.614  282.595   15.404  283.738   15.529 -1.143280 21.87336 
1 1 1   -2   23   20 o  167.741   8.5965  353.587   35.888  301.281   49.264  412.734   52.386  154.141   12.918  180.804   11.665 -26.66379 17.40515 
1 1 1   -2   23   21 o  161.307   9.4252  327.528   37.801  249.600   43.505  567.627   76.363  140.250   12.555  211.537   14.544 -71.28751 19.21338 
1 1 1   -2   23   22 o  164.704   13.857  344.629   56.463  393.522   75.406  282.227   85.187  175.243   17.464  146.267   24.167 28.97618 29.81631 
1 1 1   -2   23   23 o  375.922   15.570  1788.55  146.163  1842.68  251.893  1761.07  179.466  375.664   27.032  371.161   19.430 4.502960 33.29067 
1 1 1   -2   23   24 o   87.114   9.6549   96.409   20.650   78.531   27.057  121.353   31.959   77.628   14.490   97.173   13.538 -19.54487 19.83051 
1 1 1   -2   23   25 o  206.161   9.7911  533.638   50.407  589.454   69.737  472.572   72.943  215.840   12.999  192.662   15.287 23.17798 20.06643 
1 1 1   -2   23   26 o  229.582   10.342  662.253   59.289  737.225   82.454  581.988   85.315  241.274   13.742  213.692   16.106 27.58165 21.17187 
1 1 1   -2   23   27 o  128.695   9.1843  208.876   29.322  203.592   39.127  215.644   44.285  126.497   12.552  129.967   13.859 -3.469200 18.69833 
1 1 1   -2   23   28 o  141.346   9.1825  251.759   32.236  258.626   43.361  243.276   48.198  142.762   12.282  138.053   14.182 4.709152 18.76158 
1 1 1   -2   23   29 o  261.336   10.505  858.441   68.558  846.591   95.349  871.125   98.645  258.264   14.847  261.906   15.147 -3.641357 21.21015 
1 1 1   -2   23   30 o  151.895   9.5691  290.808   36.111  299.573   49.110  280.490   53.282  153.590   12.924  148.239   14.582 5.351151 19.48539 
1 1 1   -2   23   31 o  428.908   14.736  2327.63  157.834  2392.53  222.362  2261.74  224.069  432.133   20.606  419.197   21.477 12.93546 29.76353 
1 1 1   -2   23   32 o  125.154   9.1406  197.628   28.370  186.890   38.213  210.814   42.347  121.063   12.836  128.548   13.388 -7.484673 18.54725 
1 1 1   -2   23   33 o  166.829   11.456  352.041   47.435  331.427   84.887  361.401   57.199  159.131   21.946  168.581   13.706 -9.449783 25.87380 
1 1 1   -2   23   34 o  304.878   13.672  1174.91  104.090  1096.82  181.389  1213.26  127.100  289.333   25.361  308.517   16.558 -19.18423 30.28773 
1 1 1   -2   23   35 o  154.801   12.206  304.105   46.802  277.580   89.243  314.168   54.966  143.926   25.777  156.922   14.180 -12.99605 29.42002 
1 1 1   -2   23   36 o  224.383   12.851  638.345   71.705  743.762  131.442  593.680   85.558  238.774   22.303  215.452   16.017 23.32127 27.45794 
1 1 1   -2   23   37 o  298.060   13.808  1126.48  102.778  1243.98  184.173  1073.34  123.857  307.593   24.172  289.244   17.226 18.34897 29.68183 
1 1 1   -2   23   38 o  243.318   12.980  752.676   78.584  798.143  147.578  734.682   92.842  245.190   24.428  239.431   15.613 5.758972 28.99150 
1 1 1   -2   23   39 o  165.553   11.876  348.955   48.772  351.584  102.071  348.177   55.520  160.411   26.400  164.874   13.607 -4.462845 29.69997 
1 1 1   -2   23   40 o   74.829   16.519   74.833   30.043   0.0000   0.0000   74.833   30.043  ?   ?    74.829   16.519 0.000000 16.51937 
1 1 1   -2   23   41 o  139.715   20.513  262.133   69.437   0.0000   0.0000  262.133   69.437  ?   ?   139.715   20.513 0.000000 20.51298 
1 1 1   -2   23   42 o   97.940   21.706  132.851   51.691   0.0000   0.0000  132.851   51.691  ?   ?    97.940   21.706 0.000000 21.70574 
1 1 1   -2   23   43 o  163.919   12.136  345.843   49.323  301.186  119.633  354.989   54.139  139.091   34.588  165.636   13.198 -26.54538 37.02105 
1 1 1   -2   23   44 f  113.310   12.902  167.322   35.857  102.890  121.657  173.452   37.524   89.420   35.834  115.250   13.281 -25.82977 38.21570 
1 1 1   -2   23   45 o  103.009   13.320  139.333   33.461   0.0000   0.0000  139.333   33.461  ?   ?   103.009   13.320 0.000000 13.32011 
1 1 1   -2   24    1 o  353.894   13.083  1586.94  115.621  1555.29  165.767  1616.93  161.348  346.952   19.208  354.326   18.298 -7.374084 26.52802 
1 1 1   -2   24    2 o  134.237   9.8102  227.968   32.657  287.773   51.907  188.784   42.015  149.973   14.023  121.178   14.151 28.79470 19.92200 
1 1 1   -2   24    3 o   85.525   10.476   93.464   21.906  111.940   38.183   84.399   26.745   92.209   17.216   80.527   13.796 11.68165 22.06164 
1 1 1   -2   24    4 o  209.697   14.767  560.743   76.835  488.600  117.440  614.732  101.595  191.891   25.111  218.225   18.827 -26.33435 31.38493 
1 1 1   -2   24    5 o  265.217   10.512  885.295   69.621  943.180  100.801  832.495   96.272  272.280   14.881  255.670   15.146 16.60977 21.23370 
1 1 1   -2   24    6 o  150.891   8.2784  286.479   31.074  357.728   48.475  236.779   40.486  168.090   11.620  136.519   11.998 31.57083 16.70222 
1 1 1   -2   24    7 o  333.658   12.451  1404.35  103.747  1395.55  148.232  1412.81  145.253  330.306   18.039  332.558   17.553 -2.251648 25.16985 
1 1 1   -2   24    8 o  284.629   10.889  1019.19   77.395  1046.56  111.161  993.442  107.822  286.898   15.574  279.522   15.508 7.375214 21.97825 
1 1 1   -2   24    9 o  289.178   15.819  1063.24  113.800  1141.11  161.266  985.990  160.612  297.221   21.882  275.426   23.579 21.79495 32.16800 
1 1 1   -2   24   10 o  420.759   13.998  2236.41  147.074  2328.81  208.983  2145.74  207.020  426.992   19.599  409.559   20.242 17.43323 28.17540 
1 1 1   -2   24   11 o  452.086   15.127  2586.01  170.771  2538.57  242.148  2632.96  240.870  444.771   21.802  453.254   21.281 -8.482910 30.46638 
1 1 1   -2   24   12 o  178.034   9.2574  398.757   41.015  414.082   59.424  384.815   56.681  180.730   13.259  174.218   13.125 6.511642 18.65673 
1 1 1   -2   24   13 o  182.430   9.4575  418.746   42.937  386.974   61.318  449.311   60.143  174.498   14.195  188.392   12.861 -13.89418 19.15456 
1 1 1   -2   24   14 o  178.576   9.5285  401.322   42.338  372.085   60.434  429.501   59.331  171.076   14.277  184.154   12.985 -13.07779 19.29842 
1 1 1   -2   24   15 o  398.814   13.774  2007.07  137.173  2036.20  194.100  1978.00  193.884  399.610   19.451  393.246   19.807 6.364838 27.76072 
1 1 1   -2   24   16 o  191.794   13.418  466.146   63.859  360.021   91.617  566.428   89.059  166.018   22.693  210.609   17.081 -44.59143 28.40288 
1 1 1   -2   24   17 o  312.470   11.725  1228.61   91.490  1272.94  129.314  1184.18  129.458  316.478   16.419  304.998   17.066 11.47992 23.68171 
1 1 1   -2   24   18 o  378.989   13.518  1812.18  127.936  1896.83  180.773  1727.23  181.084  385.892   18.759  367.321   19.815 18.57025 27.28639 
1 1 1   -2   24   19 o  311.056   11.735  1217.75   91.150  1261.32  128.416  1173.50  129.401  314.984   16.383  303.534   17.142 11.45007 23.71147 
1 1 1   -2   24   20 o  124.350   9.0348  195.004   27.864  187.550   38.299  203.385   40.613  121.315   12.837  126.343   13.061 -5.027718 18.31355 
1 1 1   -2   24   21 o  148.472   10.504  278.405   38.694  255.968   63.533  291.634   48.786  140.608   18.547  151.525   13.020 -10.91655 22.66044 
1 1 1   -2   24   22 o  310.719   11.860  1215.68   92.028  1243.56  129.207  1186.98  131.108  312.583   16.612  305.134   17.277 7.449219 23.96823 
1 1 1   -2   24   23 o  282.295   12.765  1004.87   89.984  1035.66  108.494  936.997  161.065  285.597   15.268  268.185   24.314 17.41174 28.71060 
1 1 1   -2   24   24 o  212.559   14.330  573.718   75.617  580.985  101.696  564.731  113.087  212.456   19.382  208.528   22.051 3.928802 29.35829 
1 1 1   -2   24   25 o  113.798   14.770  166.493   40.982  192.265   50.882  118.901   69.145  121.849   17.200   94.339   27.598 27.50945 32.51958 
1 1 1   -2   24   26 o   73.131   11.671   68.976   20.597   69.141   24.883   68.616   36.706   72.745   14.207   72.109   19.786 0.6356277 24.35881 
1 1 1   -2   24   27 o  191.538   9.5717  460.699   45.782  480.794   62.524  437.470   67.223  194.800   12.926  185.387   14.640 9.412430 19.52991 
1 1 1   -2   24   28 o  153.419   9.4186  296.619   35.910  303.478   48.217  288.077   53.809  154.636   12.596  150.230   14.525 4.405701 19.22556 
1 1 1   -2   24   29 f  247.317   10.665  769.187   65.866  777.645   91.173  759.956   95.257  247.429   14.824  244.337   15.695 3.091827 21.58908 
1 1 1   -2   24   30 o  285.987   11.496  1029.79   82.102  1065.42  114.352  991.875  117.950  289.385   15.885  278.801   17.023 10.58322 23.28333 
1 1 1   -2   24   31 o  286.843   11.685  1036.37   83.703  1109.67  116.850  959.117  119.959  295.311   15.904  273.892   17.633 21.41904 23.74532 
1 1 1   -2   24   32 o  314.814   11.969  1249.10   94.095  1301.58  131.643  1194.28  134.545  319.598   16.551  305.661   17.703 13.93698 24.23497 
1 1 1   -2   24   33 o  492.450   15.855  3079.20  194.979  3160.28  275.068  2997.32  276.422  494.908   22.257  481.458   22.991 13.44940 31.99953 
1 1 1   -2   24   34 o  396.819   16.543  2003.70  163.932  2254.56  284.897  1879.53  200.439  413.160   27.775  381.554   21.119 31.60587 34.89183 
1 1 1   -2   24   35 o  160.372   12.171  326.445   48.377  352.752   87.030  314.682   58.197  163.949   21.798  156.763   15.051 7.186127 26.48942 
1 1 1   -2   24   36 o  102.171   14.575  135.068   36.134  127.702   78.367  137.057   40.720   97.102   29.621  102.463   16.473 -5.361671 33.89321 
1 1 1   -2   24   37 o  171.985   12.366  376.157   52.754  470.417  100.044  339.853   62.088  189.185   21.562  162.579   15.480 26.60538 26.54297 
1 1 1   -2   24   38 o  190.297   11.884  460.231   56.193  487.556  109.763  450.525   65.415  191.225   23.479  187.614   14.065 3.611481 27.36944 
1 1 1   -2   24   39 o  114.679   12.988  169.342   36.538  147.714   84.210  174.358   40.554  102.227   30.599  116.024   14.300 -13.79740 33.77541 
1 1 1   -2   24   40 o   61.763   17.177   50.942   27.456 -65.7777   74.930   69.045   29.508   50.144   23.545   71.707   16.777 -21.56339 28.91102 
1 1 1   -2   24   41 o  197.506   14.308  504.040   70.089   0.0000   0.0000  504.040   70.089  ?   ?   197.506   14.308 0.000000 14.30777 
1 1 1   -2   24   42 o   77.417   22.908   83.270   47.400   0.0000   0.0000   83.270   47.400  ?   ?    77.417   22.908 0.000000 22.90796 
1 1 1   -2   24   43 o  116.738   21.067  188.274   59.154   0.0000   0.0000  188.274   59.154  ?   ?   116.738   21.067 0.000000 21.06704 
1 1 1   -2   24   44 o   51.590   19.692   27.478   35.285   0.0000   0.0000   27.478   35.285  ?   ?    51.590   19.692 0.000000 19.69183 
1 1 1   -2   24   45 o   87.399   14.770  102.164   31.086   0.0000   0.0000  102.164   31.086  ?   ?    87.399   14.770 0.000000 14.76962 
1 1 1   -2   25    1 o  170.561   9.6379  367.616   40.882  421.546   63.810  330.067   53.244  181.467   14.194  160.677   13.392 20.78963 19.51472 
1 1 1   -2   25    2 o  270.911   11.094  926.865   75.055  995.427  109.825  866.784  102.809  278.700   15.846  259.982   15.912 18.71744 22.45638 
1 1 1   -2   25    3 o  194.654   10.087  478.649   48.865  496.956   73.567  464.195   65.368  196.967   15.071  190.715   13.819 6.251541 20.44780 
1 1 1   -2   25    4 o  232.652   10.451  682.199   60.718  642.102   89.064  717.015   82.992  223.763   16.046  237.221   14.073 -13.45842 21.34254 
1 1 1   -2   25    5 o  385.807   19.732  1923.24  189.468  1874.84  272.701  1968.41  263.436  373.298   29.494  384.208   27.642 -10.90976 40.42251 
1 1 1   -2   25    6 o  152.300   9.7929  293.023   37.047  263.815   56.551  314.983   49.034  143.026   16.114  157.347   12.585 -14.32133 20.44599 
1 1 1   -2   25    7 o  137.564   9.5234  239.060   32.514  262.004   50.491  222.805   42.498  143.041   14.328  132.093   13.054 10.94806 19.38320 
1 1 1   -2   25    8 o  156.599   8.8000  308.933   34.273  363.011   52.611  269.064   45.174  169.062   12.551  145.414   12.564 23.64809 17.75908 
1 1 1   -2   25    9 o  304.024   11.640  1165.49   88.375  1155.37  126.436  1175.15  123.575  300.629   16.911  303.420   16.370 -2.791138 23.53588 
1 1 1   -2   25   10 o  177.422   9.5281  396.686   42.060  378.801   61.779  412.139   57.423  172.318   14.491  180.190   12.846 -7.871384 19.36533 
1 1 1   -2   25   11 o  204.714   13.767  532.410   69.967  612.014   99.162  453.489   98.736  218.144   18.374  186.469   21.604 31.67493 28.36121 
1 1 1   -2   25   12 o  213.033   9.3962  570.038   49.986  605.490   72.188  537.381   69.283  218.519   13.292  205.750   13.561 12.76938 18.98867 
1 1 1   -2   25   13 o  353.443   12.701  1576.54  112.099  1544.57  159.167  1608.00  157.904  347.358   18.415  354.682   17.886 -7.324310 25.67138 
1 1 1   -2   25   14 o  136.715   8.9446  235.592   30.369  234.296   43.957  236.775   42.005  135.601   13.146  136.461   12.464 -0.8596039 18.11583 
1 1 1   -2   25   15 o  193.626   9.1546  470.670   44.264  491.305   63.034  450.595   62.173  196.892   12.891  188.432   13.298 8.460266 18.52112 
1 1 1   -2   25   16 o  212.142   10.045  565.601   53.216  549.788   75.461  581.245   75.058  207.908   14.628  213.928   14.130 -6.020401 20.33750 
1 1 1   -2   25   17 o  288.619   13.811  1052.94   99.541  1181.95  171.729  987.665  122.155  301.780   22.960  277.919   17.693 23.86063 28.98644 
1 1 1   -2   25   18 o  351.225   18.068  1576.66  157.931  1281.73  223.698  1869.75  223.001  310.818   29.162  379.510   23.648 -68.69162 37.54514 
1 1 1   -2   25   19 o  324.334   12.102  1325.88   98.015  1383.41  138.320  1267.86  138.911  329.433   16.870  314.999   17.732 14.43372 24.47488 
1 1 1   -2   25   20 o  353.099   12.773  1573.18  112.623  1497.71  158.486  1650.17  160.070  342.044   18.625  359.862   17.812 -17.81763 25.77165 
1 1 1   -2   25   21 o  313.611   11.529  1238.61   90.289  1120.84  126.703  1360.12  128.695  296.312   17.197  327.426   15.740 -31.11414 23.31276 
1 1 1   -2   25   22 o  439.399   15.026  2446.12  164.872  2446.55  232.458  2445.69  233.877  436.235   21.339  436.076   21.477 0.1590271 30.27564 
1 1 1   -2   25   23 o  168.290   9.1341  356.576   38.242  314.384   52.238  405.304   56.138  157.201   13.436  178.802   12.655 -21.60120 18.45708 
1 1 1   -2   25   24 o  109.752   14.113  154.760   37.782   0.0000   0.0000  154.760   37.782  ?   ?   109.752   14.113 0.000000 14.11257 
1 1 1   -2   25   25 f  195.276   13.095  483.569   63.487  483.569   63.487   0.0000   0.0000  195.276   13.095  ?   ?  0.000000 13.09512 
1 1 1   -2   25   26 o  243.145   15.870  753.399   95.828  864.495  130.004  621.219  141.805  258.930   20.268  216.603   26.788 42.32681 33.59109 
1 1 1   -2   25   27 o  179.954   14.974  412.991   66.677  496.968   87.028  293.639  103.752  196.679   17.916  147.014   29.290 49.66563 34.33455 
1 1 1   -2   25   28 o  125.651   9.3496  199.342   29.127  163.828   38.282  248.158   44.883  113.023   13.854  139.615   13.024 -26.59212 19.01454 
1 1 1   -2   25   29 o  320.110   12.463  1292.60   99.630  1381.69  139.203  1199.04  142.655  329.108   16.996  305.806   18.771 23.30222 25.32244 
1 1 1   -2   25   30 o  233.525   10.743  686.165   62.645  724.937   86.250  642.873   91.140  238.852   14.529  224.337   16.382 14.51520 21.89700 
1 1 1   -2   25   31 o  185.677   9.7321  434.398   44.968  437.296   60.696  430.872   66.951  185.600   13.182  183.856   14.705 1.744492 19.74849 
1 1 1   -2   25   32 f  197.693   10.640  493.203   52.332  545.441   71.437  432.700   76.880  207.179   13.888  183.600   16.960 23.57841 21.92087 
1 1 1   -2   25   33 o  465.717   16.338  2759.77  190.013  3169.80  268.126  2346.10  269.316  495.610   21.664  422.999   25.617 72.61108 33.54947 
1 1 1   -2   25   34 o  292.016   14.424  1081.31  105.184  1469.37  182.870  889.447  128.582  336.431   21.886  262.410   19.767 74.02158 29.49148 
1 1 1   -2   25   35 o  230.288   12.749  672.737   73.029  652.066  126.741  683.011   89.353  222.773   23.119  231.162   15.570 -8.389282 27.87327 
1 1 1   -2   25   36 o  193.010   12.387  473.213   59.387  634.887  106.894  401.030   71.425  221.058   19.566  176.454   16.397 44.60353 25.52828 
1 1 1   -2   25   37 o  177.626   12.334  401.607   54.368  364.806   97.532  418.198   65.486  164.737   24.451  180.579   14.648 -15.84157 28.50271 
1 1 1   -2   25   38 o  233.591   12.316  694.425   71.586  918.583  131.390  599.791   85.370  264.835   20.015  215.643   15.967 49.19139 25.60346 
1 1 1   -2   25   39 o  144.104   12.525  266.176   44.625  195.998   89.625  289.308   51.456  116.635   30.446  149.841   13.910 -33.20566 33.47294 
1 1 1   -2   25   40 o   80.614   15.617   86.503   30.304  139.277   76.297   76.618   33.020   98.530   29.038   75.249   17.843 23.28008 34.08195 
1 1 1   -2   25   41 o  177.224   12.339  403.406   54.268  461.729  113.330  386.054   61.816  181.830   25.673  172.448   14.489 9.382156 29.47952 
1 1 1   -2   25   42 o  156.832   12.338  317.139   47.932  318.024  105.425  316.909   53.815  146.754   29.785  156.097   13.953 -9.343170 32.89131 
1 1 1   -2   25   43 o  129.743   13.889  220.189   44.300   0.0000   0.0000  220.189   44.300  ?   ?   129.743   13.889 0.000000 13.88878 
1 1 1   -2   25   44 o   39.297   17.502  -9.1950   34.688   0.0000   0.0000  -9.1950   34.688  ?   ?    39.297   17.502 0.000000 17.50198 
1 1 1   -2   26    1 o  205.780   13.918  541.867   71.100  641.601  101.328  445.135   99.791  222.039   18.442  182.924   22.308 39.11528 28.94379 
1 1 1   -2   26    2 o  135.494   10.142  232.893   34.065  240.179   55.789  228.562   43.015  135.800   16.810  133.530   13.068 2.270248 21.29211 
1 1 1   -2   26    3 o  388.214   13.768  1917.13  133.472  2003.96  191.817  1835.63  185.842  393.250   19.533  375.669   19.881 17.58072 27.87086 
1 1 1   -2   26    4 o  225.973   10.409  644.203   58.737  624.917   87.359  660.115   79.351  220.501   15.974  227.382   14.044 -6.881226 21.26910 
1 1 1   -2   26    5 o  124.967   9.5499  197.758   29.576  192.282   48.615  200.975   37.266  121.565   16.436  125.475   12.041 -3.910454 20.37470 
1 1 1   -2   26    6 o  135.735   9.9647  233.309   33.540  180.706   52.750  269.006   43.455  117.173   18.653  145.348   12.082 -28.17576 22.22433 
1 1 1   -2   26    7 o  280.219   15.976  1005.28  111.332  998.717  164.551  1010.81  151.191  274.977   24.211  277.985   21.959 -3.007233 32.68527 
1 1 1   -2   26    8 o  158.156   9.9734  316.160   39.188  284.315   59.395  340.710   52.149  148.411   16.294  163.561   12.872 -15.14940 20.76505 
1 1 1   -2   26    9 o  341.546   12.646  1475.72  107.859  1412.29  154.191  1536.50  150.933  331.087   18.726  346.036   17.524 -14.94891 25.64684 
1 1 1   -2   26   10 o  349.463   12.631  1544.37  110.224  1575.67  157.363  1514.22  154.439  350.257   18.053  343.329   18.077 6.928284 25.54767 
1 1 1   -2   26   11 o  227.685   10.018  652.373   56.958  678.884   82.576  628.313   78.667  230.883   14.394  222.125   14.258 8.757980 20.25984 
1 1 1   -2   26   12 o  172.850   11.433  378.381   49.072  395.768   60.919  346.247   82.816  176.196   13.960  162.635   20.873 13.56084 25.11107 
1 1 1   -2   26   13 o  336.671   17.660  1452.19  147.955  1516.90  208.803  1386.93  209.681  340.005   24.763  324.162   26.125 15.84280 35.99543 
1 1 1   -2   26   14 o  289.589   10.641  1055.89   76.951  1131.44  109.802  982.962  107.873  298.635   14.724  277.663   15.621 20.97275 21.46645 
1 1 1   -2   26   15 o  310.686   11.754  1217.40   91.196  1187.42  129.338  1247.04  128.606  304.707   17.066  312.508   16.539 -7.800507 23.76531 
1 1 1   -2   26   16 o  153.736   9.1271  297.906   34.883  293.985   49.861  301.665   48.819  151.922   13.276  154.012   12.810 -2.089737 18.44842 
1 1 1   -2   26   17 o  192.745   9.9211  468.340   47.590  467.874   67.481  468.801   67.127  191.694   14.198  191.909   14.106 -0.2149811 20.01383 
1 1 1   -2   26   18 o  252.671   10.563  803.463   66.651  781.846   94.061  825.263   94.457  247.740   15.279  254.666   14.918 -6.926453 21.35398 
1 1 1   -2   26   19 o  303.072   14.582  1164.12  110.361  1359.43  190.493  1065.45  135.398  322.786   23.801  287.910   18.938 34.87582 30.41583 
1 1 1   -2   26   20 o  225.947   14.324  649.120   80.401  498.257  114.751  794.603  112.686  194.511   24.144  248.739   18.269 -54.22775 30.27689 
1 1 1   -2   26   21 o  161.329   9.1421  327.906   36.679  309.044   50.752  348.530   53.070  155.846   13.164  165.618   12.935 -9.772797 18.45521 
1 1 1   -2   26   22 o  174.872   9.1698  385.106   39.904  264.585   54.690  522.311   58.353  143.576   15.500  203.264   11.544 -59.68767 19.32600 
1 1 1   -2   26   23 o  431.933   21.926  2413.22  235.725   0.0000   0.0000  2413.22  235.725  ?   ?   431.933   21.926 0.000000 21.92633 
1 1 1   -2   26   24 o  161.428   9.1510  328.299   36.737  243.752   49.305  433.825   55.083  137.982   14.527  185.102   11.981 -47.11946 18.83061 
1 1 1   -2   26   25 o  307.825   11.477  1193.95   88.224  1164.28  122.726  1225.69  126.915  302.161   16.325  309.999   16.454 -7.837372 23.17838 
1 1 1   -2   26   26 o  377.090   13.254  1797.05  124.812  1787.91  174.666  1806.59  178.415  373.435   18.790  375.220   19.104 -1.785400 26.79649 
1 1 1   -2   26   27 f  302.293   11.352  1151.16   85.691  1068.27  118.856  1240.89  123.657  289.336   16.519  312.137   15.917 -22.80161 22.93958 
1 1 1   -2   26   28 o  284.105   18.163  1034.80  128.188  1341.28  175.785  686.727  187.336  321.704   22.014  223.386   34.709 98.31778 41.10156 
1 1 1   -2   26   29 o  368.520   19.595  1745.79  179.678  1851.02  248.102  1629.72  260.562  374.992   26.669  349.260   30.171 25.73123 40.26816 
1 1 1   -2   26   30 o  125.583   11.832  200.579   36.670  225.537   55.806  181.614   48.646  131.937   17.359  118.278   16.955 13.65839 24.26551 
1 1 1   -2   26   31 o   87.262   11.153   97.445   23.748   95.946   30.142   99.898   38.560   85.867   14.578   86.839   18.356 -0.9724350 23.44087 
1 1 1   -2   26   32 o  297.167   12.059  1114.48   89.486  1199.57  124.257  1022.80  128.979  306.553   16.290  282.138   18.407 24.41458 24.58054 
1 1 1   -2   26   33 o  336.388   13.086  1431.50  109.924  1563.55  153.630  1292.98  157.349  349.280   17.671  316.379   20.019 32.90146 26.70301 
1 1 1   -2   26   34 o  101.548   10.800  131.400   26.968  162.463   35.109   86.700   42.116  112.645   12.703   80.431   20.810 32.21440 24.38110 
1 1 1   -2   26   35 o  304.372   14.245  1177.36  108.269  1173.58  185.460  1179.32  133.351  297.501   25.201  302.704   17.718 -5.203613 30.80608 
1 1 1   -2   26   36 o  126.953   12.867  206.449   40.228  218.879   71.294  200.643   48.725  127.393   23.268  124.266   16.079 3.126556 28.28327 
1 1 1   -2   26   37 o   64.710   17.605   55.816   29.205   84.696   58.489   46.225   33.708   79.922   25.765   60.296   19.572 19.62577 32.35529 
1 1 1   -2   26   38 o  224.257   12.913  642.587   72.011  822.244  128.652  560.619   86.899  249.411   20.847  207.722   16.899 41.68996 26.83627 
1 1 1   -2   26   39 o  189.395   12.456  459.164   58.585  574.414  106.546  409.220   70.139  207.592   20.834  177.325   16.012 30.26640 26.27645 
1 1 1   -2   26   40 o  109.098   13.197  154.593   35.224  267.409   74.680  122.314   39.946  139.876   22.115   95.489   17.393 44.38734 28.13549 
1 1 1   -2   26   41 o  118.648   13.469  183.315   39.201  200.975   90.109  179.193   43.536  115.712   30.684  116.600   15.323 -0.8875504 34.29747 
1 1 1   -2   26   42 o  165.793   12.147  354.482   49.942  396.981  104.453  341.888   56.862  166.817   25.915  161.866   14.211 4.951294 29.55630 
1 1 1   -2   26   43 o  169.261   12.176  370.265   51.123  413.717  109.650  358.195   57.789  168.766   26.923  165.510   14.117 3.255829 30.39943 
1 1 1   -2   26   44 o   68.826   17.277   65.311   29.650   0.0000   0.0000   65.311   29.650  ?   ?    68.826   17.277 0.000000 17.27727 
1 1 1   -2   27    1 o  129.092   9.7443  211.514   31.181  325.414   54.750  156.837   37.934  159.097   13.921  109.972   14.141 49.12498 19.84304 
1 1 1   -2   27    2 o  307.078   11.754  1195.57   90.137  1251.24  132.884  1148.13  122.673  311.046   17.175  298.298   16.533 12.74789 23.83904 
1 1 1   -2   27    3 o   76.227   17.875   77.911   33.437  102.012   48.538   56.145   46.128   86.481   22.323   67.169   22.922 19.31172 31.99592 
1 1 1   -2   27    4 o  125.902   9.8683  201.132   30.778  236.658   51.799  181.745   38.265  135.116   15.641  118.899   13.105 16.21712 20.40559 
1 1 1   -2   27    5 o  157.440   10.117  313.972   39.564  276.737   62.733  338.564   50.982  145.636   17.607  162.882   12.633 -17.24577 21.67024 
1 1 1   -2   27    6 o  314.569   11.841  1252.70   93.014  1249.75  134.750  1255.38  128.551  311.292   17.404  312.478   16.533 -1.186218 24.00522 
1 1 1   -2   27    7 o  301.836   11.885  1153.01   89.579  1134.87  129.754  1169.53  123.823  296.616   17.596  301.707   16.497 -5.091095 24.12033 
1 1 1   -2   27    8 o  159.936   10.233  323.791   40.655  284.665   62.605  352.323   53.461  148.027   17.260  166.192   12.985 -18.16486 21.59912 
1 1 1   -2   27    9 o  237.562   14.068  719.734   83.088  808.241  127.128  653.735  109.779  248.881   20.641  224.057   19.825 24.82425 28.61988 
1 1 1   -2   27   10 o   90.353   10.677  104.351   23.624  104.241   40.243  104.408   29.181   88.420   18.805   89.788   13.427 -1.368637 23.10616 
1 1 1   -2   27   11 o  173.277   9.7369  379.139   41.961  377.298   62.619  380.638   56.531  171.620   14.755  172.816   13.199 -1.196091 19.79708 
1 1 1   -2   27   12 o  283.835   11.251  1016.72   79.744  977.990  114.249  1053.51  111.358  276.171   16.644  287.127   15.589 -10.95581 22.80456 
1 1 1   -2   27   13 o  327.368   11.848  1353.76   96.854  1404.19  138.307  1305.23  135.675  331.095   16.783  319.037   17.092 12.05811 23.95403 
1 1 1   -2   27   14 o  222.084   14.560  629.037   80.303  684.317  112.488  571.586  114.674  229.683   19.806  208.694   22.352 20.98914 29.86432 
1 1 1   -2   27   15 o  335.276   17.764  1442.89  148.196  1506.26  208.540  1378.24  210.638  338.234   24.864  322.426   26.392 15.80844 36.26007 
1 1 1   -2   27   16 o  100.415   10.261  128.237   25.368  108.920   38.183  143.501   33.941   90.872   17.461  105.705   13.142 -14.83356 21.85386 
1 1 1   -2   27   17 o  384.747   12.883  1872.32  123.774  2008.31  175.373  1737.34  174.713  396.212   17.725  367.348   19.112 28.86395 26.06592 
1 1 1   -2   27   18 o  104.026   9.8666  137.328   25.324  119.792   37.082  152.656   34.667   95.772   16.075  109.125   12.976 -13.35320 20.65848 
1 1 1   -2   27   19 o   78.928   11.277   80.080   21.596   62.336   31.989   94.938   29.272   68.586   18.328   85.450   14.218 -16.86415 23.19584 
1 1 1   -2   27   20 o  272.415   11.159  935.362   75.911  1034.30  107.210  835.892  107.499  284.966   15.120  255.439   16.949 29.52704 22.71278 
1 1 1   -2   27   21 o  160.247   12.684  326.467   50.343  299.970   73.827  349.498   68.827  151.542   19.997  164.709   16.977 -13.16734 26.23171 
1 1 1   -2   27   22 o  238.787   14.597  725.860   86.623  632.377  123.950  815.101  121.106  219.717   22.929  251.278   19.452 -31.56102 30.06812 
1 1 1   -2   27   23 o  113.357   9.7445  162.742   27.316  116.957   37.189  216.388   40.255   94.579   16.336  130.308   12.525 -35.72917 20.58531 
1 1 1   -2   27   24 o  179.446   10.586  406.759   47.226  391.990   58.561  434.230   79.867  175.519   13.464  183.605   17.636 -8.085953 22.18809 
1 1 1   -2   27   25 o  253.913   10.834  811.940   68.695  775.300   95.157  851.819   99.272  246.545   15.535  258.497   15.450 -11.95177 21.90964 
1 1 1   -2   27   26 o  416.825   14.007  2200.61  145.796  2022.77  204.288  2385.21  208.141  395.800   20.741  431.194   19.330 -35.39453 28.35208 
1 1 1   -2   27   27 o  212.002   9.7653  565.115   51.698  535.440   69.947  600.846   76.751  205.224   13.728  217.311   14.222 -12.08658 19.76647 
1 1 1   -2   27   28 o  363.208   12.907  1667.47  117.070  1589.99  162.832  1750.37  168.432  351.919   18.595  369.889   18.235 -17.97076 26.04375 
1 1 1   -2   27   29 o  297.658   11.955  1118.10   88.865  1193.44  123.258  1036.54  128.238  305.772   16.200  284.098   18.171 21.67410 24.34400 
1 1 1   -2   27   30 o  243.158   16.650  757.051  100.490  867.500  132.308  606.474  154.485  258.689   20.654  211.584   30.086 47.10533 36.49268 
1 1 1   -2   27   31 f  169.761   15.708  369.642   65.835  440.228   81.532  237.381  111.605  184.689   17.903  129.799   34.019 54.89006 38.44252 
1 1 1   -2   27   32 o  259.807   13.823  858.033   89.362  998.307  148.172  777.845  112.029  276.875   21.601  245.646   18.397 31.22954 28.37349 
1 1 1   -2   27   33 o  176.874   9.9513  395.094   43.775  399.286   58.024  389.556   66.692  177.053   13.219  174.232   15.490 2.821655 20.36359 
1 1 1   -2   27   34 o  126.011   9.8435  201.178   30.729  181.005   39.774  231.049   48.399  118.661   13.673  133.973   14.709 -15.31226 20.08208 
1 1 1   -2   27   35 o  292.664   12.503  1085.91   91.379  1224.37  126.785  936.224  131.821  308.626   16.511  268.039   19.835 40.58676 25.80740 
1 1 1   -2   27   36 o  148.669   12.123  282.148   44.616  271.387   74.032  288.285   55.911  142.558   21.461  149.370   15.201 -6.811676 26.29933 
1 1 1   -2   27   37 o  148.065   12.403  280.657   45.439  348.283   77.595  245.364   56.055  162.312   19.536  136.972   16.736 25.33926 25.72486 
1 1 1   -2   27   38 f  205.910   13.353  544.211   68.290  586.677  117.626  522.620   83.873  208.483   22.975  200.119   16.943 8.363937 28.54631 
1 1 1   -2   27   39 o  185.998   12.681  444.316   58.548  482.091  103.383  426.481   71.037  188.475   22.405  180.786   15.897 7.689056 27.47130 
1 1 1   -2   27   40 o  104.416   14.096  142.939   35.814  192.059   70.507  125.857   41.578  116.250   25.028   96.498   17.914 19.75159 30.77852 
1 1 1   -2   27   41 o   65.611   17.518   58.799   29.241   92.445   67.927   51.145   32.397   81.303   27.815   61.681   19.085 19.62255 33.73299 
1 1 1   -2   27   42 o   97.191   14.531  125.288   34.184  206.860   75.823  104.479   38.297  118.930   26.235   87.214   18.174 31.71577 31.91458 
1 1 1   -2   27   43 o  206.396   15.046  560.403   77.017   0.0000   0.0000  560.403   77.017  ?   ?   206.396   15.046 0.000000 15.04648 
1 1 1   -2   28    1 o  174.703   10.159  387.395   44.127  410.076   73.130  374.408   55.336  177.368   16.708  170.830   13.071 6.537231 21.21309 
1 1 1   -2   28    2 o  175.306   10.396  390.150   45.309  423.167   73.532  369.942   57.527  180.407   16.505  169.661   13.695 10.74617 21.44653 
1 1 1   -2   28    3 o  272.456   11.002  940.211   74.855  1026.72  113.410  873.430   99.642  281.982   16.173  260.425   15.390 21.55756 22.32565 
1 1 1   -2   28    4 o  340.667   12.456  1474.88  105.964  1526.27  155.750  1430.59  144.584  342.688   18.266  332.292   17.486 10.39673 25.28634 
1 1 1   -2   28    5 o  205.587   14.373  542.297   73.323  473.044  104.150  610.351  103.245  188.253   22.607  215.883   19.357 -27.62996 29.76180 
1 1 1   -2   28    6 o  127.268   10.502  205.981   33.077  158.622   55.245  232.444   41.297  108.479   21.154  134.785   12.409 -26.30597 24.52472 
1 1 1   -2   28    7 o  141.371   9.8807  253.289   34.662  284.597   57.001  234.919   43.663  148.330   15.624  135.360   13.080 12.96968 20.37635 
1 1 1   -2   28    8 o  226.514   10.627  648.037   60.109  600.421   89.324  687.444   81.261  215.635   16.719  231.895   14.100 -16.25958 21.87052 
1 1 1   -2   28    9 o  170.268   9.5989  366.433   40.647  370.710   63.023  363.387   53.187  169.791   15.019  168.788   12.712 1.002777 19.67652 
1 1 1   -2   28   10 o  148.323   14.216  282.485   52.009  229.219   89.699  309.462   63.835  128.248   28.722  154.485   16.819 -26.23785 33.28425 
1 1 1   -2   28   11 o  305.495   12.190  1181.73   92.998  1135.56  133.807  1224.87  129.344  296.460   18.162  308.653   16.845 -12.19339 24.77108 
1 1 1   -2   28   12 o   91.428   10.990  107.004   24.589  111.872   42.079  104.480   30.301   91.553   19.026   89.656   13.991 1.897560 23.61683 
1 1 1   -2   28   13 o  283.924   10.892  1017.40   77.227  1066.45  111.229  971.736  107.306  288.733   15.483  275.499   15.662 13.23373 22.02339 
1 1 1   -2   28   14 f  185.619   9.4105  434.681   43.477  456.794   64.240  415.990   59.059  189.227   13.687  180.674   13.181 8.552261 19.00195 
1 1 1   -2   28   15 o  262.929   10.516  871.539   69.045  861.843   98.727  880.821   96.597  259.654   15.294  262.706   14.785 -3.051270 21.27169 
1 1 1   -2   28   16 o   94.000   16.936  116.258   38.293  115.750   49.909  116.985   59.708   92.622   21.919   92.713   25.151 -0.9136200E-01 33.36218 
1 1 1   -2   28   17 o  104.487   10.998  139.184   28.266  114.242   42.948  158.242   37.543   92.620   19.199  110.858   13.865 -18.23771 23.68216 
1 1 1   -2   28   18 o  368.847   13.268  1723.71  122.206  1763.75  173.118  1683.94  172.533  369.978   18.800  361.252   19.194 8.726105 26.86717 
1 1 1   -2   28   19 o  156.747   9.4408  310.126   36.781  327.218   52.536  293.692   51.513  160.204   13.251  151.595   13.757 8.609756 19.10115 
1 1 1   -2   28   20 o  136.114   9.8325  234.333   33.196  245.350   47.584  223.889   46.333  138.416   13.957  132.084   14.274 6.331284 19.96389 
1 1 1   -2   28   21 o  331.067   12.764  1386.49  105.524  1412.01  148.868  1360.73  149.601  331.507   18.051  325.185   18.499 6.321960 25.84666 
1 1 1   -2   28   22 o  180.099   11.559  410.934   51.712  412.733   88.334  409.996   63.785  177.894   20.245  179.189   14.376 -1.294922 24.82991 
1 1 1   -2   28   23 o  232.420   20.775  702.463  119.305  702.463  119.305   0.0000   0.0000  232.420   20.775  ?   ?  0.000000 20.77483 
1 1 1   -2   28   24 o  224.570   14.042  641.843   78.351  614.631  112.806  667.207  108.906  217.192   21.064  227.068   19.392 -9.875931 28.63109 
1 1 1   -2   28   25 o  275.772   10.783  958.244   74.261  942.345  102.947  975.491  107.224  271.852   15.226  276.466   15.595 -4.613495 21.79501 
1 1 1   -2   28   26 o  111.375   10.156  157.400   27.936  137.805   37.487  181.875   41.896  103.131   14.995  118.900   14.404 -15.76877 20.79278 
1 1 1   -2   28   27 o  187.901   9.8909  445.450   46.247  406.751   62.389  492.649   68.901  178.561   14.107  196.607   14.128 -18.04662 19.96486 
1 1 1   -2   28   28 o  256.121   10.674  826.487   68.271  719.134   93.367  949.837  100.082  237.128   15.859  273.085   14.731 -35.95705 21.64466 
1 1 1   -2   28   29 o  279.701   11.204  986.689   78.254  977.399  107.006  997.369  114.734  276.691   15.550  279.114   16.535 -2.422913 22.69806 
1 1 1   -2   28   30 o  339.529   12.807  1458.79  108.584  1449.81  149.566  1468.80  157.894  335.924   17.894  337.630   18.802 -1.706390 25.95588 
1 1 1   -2   28   31 o  202.624   10.275  518.516   51.820  531.073   69.274  502.564   78.084  204.188   13.665  197.903   15.935 6.284698 20.99172 
1 1 1   -2   28   32 o  239.408   16.834  736.990   99.999  843.792  129.970  582.040  156.549  254.448   20.632  205.273   31.550 49.17499 37.69726 
1 1 1   -2   28   33 o  208.720   16.755  561.640   86.595  689.992  110.460  356.976  139.484  230.294   19.388  156.994   36.303 73.30008 41.15585 
1 1 1   -2   28   34 o  142.547   16.427  263.822   57.406  337.264   67.846   78.728  107.708  161.133   17.124   87.114   34.093 74.01952 38.15179 
1 1 1   -2   28   35 o  131.936   10.100  221.067   33.024  215.829   42.863  228.717   51.802  129.516   13.449  132.595   15.966 -3.078247 20.87518 
1 1 1   -2   28   36 o  134.652   10.151  230.508   33.880  228.504   43.997  233.426   53.107  133.184   13.411  133.690   16.241 -0.5060425 21.06251 
1 1 1   -2   28   37 o  207.947   12.365  552.991   63.920  534.546  106.054  563.513   80.104  199.707   21.611  208.537   15.493 -8.829788 26.59036 
1 1 1   -2   28   38 o  303.344   14.806  1187.05  112.160  1284.86  191.563  1136.03  138.354  305.537   25.336  293.219   18.997 12.31854 31.66693 
1 1 1   -2   28   39 o  202.198   13.152  527.342   66.046  599.913  112.315  488.982   81.656  210.165   21.714  192.530   17.164 17.63504 27.67814 
1 1 1   -2   28   40 o   53.689   17.681   37.059   27.474   60.709   53.362   28.528   32.048   68.839   24.572   50.964   18.913 17.87474 31.00802 
1 1 1   -2   28   41 o  162.063   12.613  340.299   50.644  337.929   90.127  341.392   61.224  154.461   24.157  160.902   15.427 -6.440201 28.66274 
1 1 1   -2   28   42 o  159.666   12.412  330.687   49.100  290.911   92.202  346.433   58.010  140.234   27.311  162.381   14.457 -22.14758 30.90162 
1 1 1   -2   28   43 o  158.525   14.734  331.784   57.660   0.0000   0.0000  331.784   57.660  ?   ?   158.525   14.734 0.000000 14.73401 
1 1 1   -2   29    1 o  147.458   11.525  278.329   42.101  227.622   72.184  304.471   51.830  128.432   23.368  153.525   13.662 -25.09236 27.06844 
1 1 1   -2   29    2 o  265.178   17.715  919.812  116.635  849.873  194.865  958.855  145.594  241.874   33.133  267.551   21.986 -25.67662 39.76427 
1 1 1   -2   29    3 f   62.683   14.959   52.465   23.090   18.666   54.593   59.829   25.481   57.125   23.586   66.874   15.552 -9.749268 28.25175 
1 1 1   -2   29    4 o   91.525   12.313  108.408   27.428   46.091   52.425  131.895   32.184   64.727   24.156  100.897   13.082 -36.16990 27.47093 
1 1 1   -2   29    5 o  162.767   10.406  336.504   42.074  313.341   69.396  349.969   52.908  154.295   18.372  165.255   12.924 -10.96066 22.46216 
1 1 1   -2   29    6 f  101.176   16.672  135.135   40.654  109.290   59.293  158.065   55.849   88.893   25.428  107.938   21.476 -19.04510 33.28326 
1 1 1   -2   29    7 o  178.803   9.7835  404.740   43.518  441.147   70.960  382.792   55.096  184.826   15.518  173.010   12.844 11.81625 20.14407 
1 1 1   -2   29    8 o  376.824   13.776  1810.54  129.629  1740.06  186.934  1875.81  179.913  364.249   20.636  380.048   18.957 -15.79996 28.02190 
1 1 1   -2   29    9 o  207.057   10.504  543.054   54.131  488.519   81.662  585.798   72.297  194.099   17.020  214.059   13.596 -19.95992 21.78336 
1 1 1   -2   29   10 o  237.947   11.203  716.321   66.570  651.272   98.250  771.530   90.513  224.075   17.703  245.320   14.845 -21.24489 23.10324 
1 1 1   -2   29   11 o  296.384   11.970  1113.02   88.596  1093.07  128.226  1131.24  122.554  290.704   17.748  296.379   16.626 -5.674744 24.31929 
1 1 1   -2   29   12 o  242.764   16.159  758.248   97.398  638.960  147.546  850.375  129.665  216.510   27.942  254.889   20.546 -38.37849 34.68237 
1 1 1   -2   29   13 o   79.705   12.181   82.242   23.475   78.047   41.359   84.236   28.513   76.199   21.042   80.078   14.804 -3.879265 25.72777 
1 1 1   -2   29   14 o  174.082   10.201  383.444   44.150  377.883   65.719  388.018   59.604  171.333   15.529  174.172   13.817 -2.838699 20.78625 
1 1 1   -2   29   15 o  237.461   10.459  711.336   62.018  695.989   89.769  725.349   85.782  232.977   15.519  238.258   14.486 -5.281509 21.22933 
1 1 1   -2   29   16 o  216.132   9.8066  588.468   52.928  651.582   77.129  532.294   72.765  226.076   13.727  204.049   14.372 22.02756 19.87426 
1 1 1   -2   29   17 o  167.784   10.308  356.205   42.979  301.406   62.604  405.058   59.110  152.599   16.701  178.185   13.382 -25.58539 21.40124 
1 1 1   -2   29   18 o  331.686   18.128  1418.04  149.584  1465.01  207.663  1367.40  215.651  332.381   25.207  319.470   27.293 12.91092 37.15262 
1 1 1   -2   29   19 o  195.365   9.9529  481.960   48.396  501.539   69.580  463.611   67.357  198.189   14.152  190.476   14.265 7.713135 20.09374 
1 1 1   -2   29   20 o  135.061   9.9950  230.976   33.471  219.308   48.353  241.710   46.379  130.409   15.129  137.362   13.704 -6.952728 20.41266 
1 1 1   -2   29   21 o  178.264   15.059  407.268   66.411   0.0000   0.0000  407.268   66.411  ?   ?   178.264   15.059 0.000000 15.05949 
1 1 1   -2   29   22 o  123.957   14.594  197.889   44.309  197.889   44.309   0.0000   0.0000  123.957   14.594  ?   ?  0.000000 14.59390 
1 1 1   -2   29   23 f  188.313   10.319  448.103   48.342  489.210   67.602  405.084   69.156  195.860   13.912  177.593   15.758 18.26704 21.02018 
1 1 1   -2   29   24 o  117.355   11.000  175.204   31.861   92.449   44.056  265.941   46.132   82.920   21.195  144.365   12.934 -61.44520 24.82985 
1 1 1   -2   29   25 o  152.713   13.173  297.570   49.745  251.283   74.301  335.171   66.968  137.405   22.428  161.079   16.901 -23.67409 28.08298 
1 1 1   -2   29   26 f  228.030   14.310  663.018   81.075  620.417  116.981  702.393  112.466  217.583   21.824  232.686   19.536 -15.10335 29.29065 
1 1 1   -2   29   27 o  171.421   9.4969  370.840   40.495  331.469   54.375  419.867   60.678  161.105   13.644  181.492   13.484 -20.38673 19.18304 
1 1 1   -2   29   28 o  146.508   9.6069  271.277   34.953  261.080   46.641  284.340   52.790  142.943   13.216  148.926   14.373 -5.982559 19.52571 
1 1 1   -2   29   29 o  139.019   9.8885  244.586   34.105  204.402   44.581  301.282   52.955  126.018   14.427  153.417   13.976 -27.39874 20.08599 
1 1 1   -2   29   30 o   92.756   11.086  110.118   25.170   87.507   32.341  144.848   40.082   81.330   16.489  105.458   15.699 -24.12822 22.76686 
1 1 1   -2   29   31 o  120.217   10.247  183.533   30.468  148.559   39.138  237.327   48.540  106.949   15.073  135.781   14.542 -28.83235 20.94395 
1 1 1   -2   29   32 o  123.150   10.202  192.611   31.092  188.834   39.720  198.588   49.962  121.205   13.344  123.392   16.639 -2.186684 21.32897 
1 1 1   -2   29   33 o   88.716   11.352  101.188   24.573   92.102   30.246  118.832   42.146   83.685   15.025   94.326   18.554 -10.64029 23.87486 
1 1 1   -2   29   34 o  123.524   15.549  198.710   46.901  203.086   52.582  181.676  103.741  124.263   17.424  111.806   34.075 12.45695 38.27123 
1 1 1   -2   29   35 o   84.248   16.800   94.773   34.105   95.867   36.504   87.264   95.654   84.448   17.868   85.594   32.481 -1.145599 37.07134 
1 1 1   -2   29   36 o  233.958   12.867  701.314   74.884  717.188  120.058  691.207   95.803  231.828   20.965  230.226   16.779 1.601974 26.85308 
1 1 1   -2   29   37 o  107.664   10.466  148.497   27.782  129.596   34.872  181.338   45.966   99.342   14.483  117.214   16.131 -17.87173 21.67895 
1 1 1   -2   29   38 o  216.020   13.138  601.849   70.535  637.122  117.030  581.727   88.394  216.301   21.971  210.138   16.990 6.163361 27.77424 
1 1 1   -2   29   39 o  149.123   12.461  287.558   45.978  317.148   75.433  270.066   57.996  152.555   20.305  142.617   16.595 9.937897 26.22365 
1 1 1   -2   29   40 f   85.022   15.960   97.580   32.642   81.991   55.175  105.974   40.487   76.363   25.052   87.469   19.073 -11.10548 31.48668 
1 1 1   -2   29   41 o  117.105   14.007  180.751   40.148  165.486   68.199  188.848   49.665  105.703   26.013  118.149   17.350 -12.44631 31.26843 
1 1 1   -2   29   42 o  166.967   16.690  373.452   68.657   0.0000   0.0000  373.452   68.657  ?   ?   166.967   16.690 0.000000 16.69033 
1 1 1   -2   30    1 o  224.324   12.053  645.762   67.270  600.745  120.520  666.134   81.075  208.660   23.541  226.548   14.406 -17.88812 27.59912 
1 1 1   -2   30    2 o  191.981   10.797  470.240   51.550  474.900   85.597  467.587   64.573  189.211   18.347  190.216   13.686 -1.004913 22.88872 
1 1 1   -2   30    3 o  104.458   16.627  144.991   41.917  142.814  146.357  145.186   43.749  102.058   39.797  104.237   17.422 -2.178528 43.44377 
1 1 1   -2   30    4 o   86.492   13.428   97.909   28.062   64.530   56.561  108.808   32.321   71.597   25.325   90.878   14.748 -19.28062 29.30657 
1 1 1   -2   30    5 o   77.545   13.536   79.050   25.258   22.384   52.503   96.115   28.812   57.254   23.325   85.571   13.965 -28.31694 27.18577 
1 1 1   -2   30    6 o  181.451   10.721  418.775   48.362  362.379   79.272  452.209   61.037  165.212   19.596  187.748   13.101 -22.53551 23.57226 
1 1 1   -2   30    7 o   78.836   13.668   81.577   25.933   19.608   51.383  102.758   30.040   56.188   23.004   88.599   14.046 -32.41108 26.95280 
1 1 1   -2   30    8 o   53.825   19.829   31.312   35.103   77.945   51.097 -10.3685   48.307   76.248   24.029   47.187   20.853 29.06161 31.81581 
1 1 1   -2   30    9 o   61.979   13.947   50.948   21.064   87.794   46.002   41.173   23.694   80.208   22.209   55.889   16.100 24.31923 27.43054 
1 1 1   -2   30   10 o  240.520   11.283  733.031   67.770  701.433  101.203  758.719   91.249  232.280   17.578  242.859   15.121 -10.57945 23.18666 
1 1 1   -2   30   11 o   34.312   13.096   10.514   15.606   6.3473   40.764   11.229   16.893   47.729   20.091   35.584   13.615 12.14497 24.26982 
1 1 1   -2   30   12 o   54.932   14.042   39.948   19.336   61.140   42.601   34.449   21.700   68.566   21.977   51.572   15.555 16.99324 26.92448 
1 1 1   -2   30   13 o  159.621   10.036  322.808   39.800  341.392   61.983  309.770   51.916  162.599   15.451  155.437   13.509 7.162796 20.52403 
1 1 1   -2   30   14 f  137.426   14.214  243.218   48.074  223.851   90.982  250.719   56.625  126.039   29.439  138.780   16.673 -12.74091 33.83257 
1 1 1   -2   30   15 o  316.948   12.142  1273.39   96.102  1249.81  138.005  1295.59  133.906  310.844   17.854  317.028   16.976 -6.183807 24.63602 
1 1 1   -2   30   16 f  155.590   10.116  306.642   39.091  288.257   58.951  321.071   52.223  149.209   16.075  158.410   13.326 -9.200989 20.88014 
1 1 1   -2   30   17 o  224.091   10.826  634.317   60.582  628.239   87.547  639.901   83.920  220.993   15.972  223.375   15.134 -2.382156 22.00285 
1 1 1   -2   30   18 o  228.240   10.454  657.400   59.584  698.287   85.974  619.612   82.652  233.548   14.818  219.822   15.149 13.72615 21.19155 
1 1 1   -2   30   19 o  176.742   10.970  396.024   48.176  336.684   69.723  450.237   66.642  160.938   17.638  187.525   14.340 -26.58722 22.73148 
1 1 1   -2   30   20 o  262.458   24.619  916.236  159.470   0.0000   0.0000  916.236  159.470  ?   ?   262.458   24.619 0.000000 24.61923 
1 1 1   -2   30   21 o  168.836   15.036  366.186   62.729  366.186   62.729   0.0000   0.0000  168.836   15.036  ?   ?  0.000000 15.03553 
1 1 1   -2   30   22 o   73.160   13.181   69.900   23.195   73.817   37.009   67.365   29.767   74.231   19.655   71.117   16.993 3.113937 25.98262 
1 1 1   -2   30   23 o  489.662   17.114  3075.53  209.265  3251.24  295.695  2899.23  296.196  497.306   23.811  467.360   25.475 29.94604 34.87021 
1 1 1   -2   30   24 o  184.529   10.458  430.810   47.990  441.616   67.069  419.471   68.698  185.703   14.580  180.708   15.369 4.995041 21.18484 
1 1 1   -2   30   25 o  139.449   10.048  246.311   34.754  244.386   48.401  248.361   49.935  137.912   14.260  138.945   14.611 -1.032883 20.41613 
1 1 1   -2   30   26 o   88.721   11.851  101.258   25.600   70.064   36.380  131.856   36.031   72.398   19.629  100.745   14.760 -28.34766 24.55923 
1 1 1   -2   30   27 o  118.499   13.275  180.354   38.607  168.792   60.898  188.123   49.920  111.813   22.588  119.982   17.149 -8.169594 28.36020 
1 1 1   -2   30   28 o  165.759   10.695  348.245   44.033  353.875   55.764  338.920   71.764  166.362   13.541  161.298   18.131 5.064026 22.62912 
1 1 1   -2   30   29 o  157.086   9.9751  312.370   38.927  304.431   51.761  322.705   59.059  154.173   13.583  158.301   15.124 -4.128021 20.32848 
1 1 1   -2   30   30 f  248.753   10.489  781.420   65.158  750.130   87.984  819.425   96.964  242.025   14.626  252.636   15.444 -10.61098 21.27071 
1 1 1   -2   30   31 o   60.291   13.813   48.120   20.350   41.436   26.306   58.080   32.113   56.458   17.148   66.024   18.653 -9.566658 25.33777 
1 1 1   -2   30   32 o  156.296   9.8558  309.653   38.270  272.643   49.803  363.017   59.802  145.527   13.873  167.916   14.401 -22.38885 19.99606 
1 1 1   -2   30   33 o   86.324   11.728   96.289   24.627   92.615   31.185  102.376   40.145   83.641   15.501   87.044   19.002 -3.402214 24.52264 
1 1 1   -2   30   34 o  225.577   10.389  644.697   58.522  669.763   77.935  612.291   88.616  228.307   13.734  216.907   16.484 11.39998 21.45510 
1 1 1   -2   30   35 o   66.666   13.098   58.749   21.027   64.195   26.227   48.950   35.180   69.185   15.558   61.411   19.997 7.773624 25.33658 
1 1 1   -2   30   36 o  141.605   15.539  262.853   54.046  274.953   61.452  221.528  113.564  144.000   17.445  119.308   35.494 24.69195 39.54926 
1 1 1   -2   30   37 o   65.401   16.739   58.125   27.453   51.451   28.598  136.486   97.993   61.666   17.666   96.009   33.380 -34.34299 37.76662 
1 1 1   -2   30   38 o   80.464   12.892   85.304   25.031   78.595   33.560   93.715   37.577   75.591   18.031   82.430   18.686 -6.839424 25.96731 
1 1 1   -2   30   39 o   64.928   16.446   57.670   26.694   58.055   42.484   57.418   34.314   65.716   22.000   64.681   19.572 1.035652 29.44570 
1 1 1   -2   30   40 o   83.517   15.468   94.224   31.071   71.734   49.562  108.786   39.880   71.685   23.755   88.563   18.623 -16.87713 30.18471 
1 1 1   -2   30   41 o  120.582   17.044  196.971   49.892   0.0000   0.0000  196.971   49.892  ?   ?   120.582   17.044 0.000000 17.04419 
1 1 1   -2   31    1 o   35.362   14.400   7.3988   20.000   34.607   52.202   2.7179   21.652   59.474   23.591   34.513   14.591 24.96071 27.73870 
1 1 1   -2   31    2 o   96.856   13.927  123.795   32.716   24.196   73.038  148.795   36.592   63.539   26.827  106.260   14.141 -42.72186 30.32626 
1 1 1   -2   31    3 o   73.015   14.497   71.317   25.500   64.529   55.876   73.102   28.658   70.635   25.152   73.491   16.064 -2.855415 29.84389 
1 1 1   -2   31    4 o  173.697   11.727  387.218   50.569  279.694   84.307  447.643   63.200  140.899   24.870  185.914   13.710 -45.01497 28.39886 
1 1 1   -2   31    5 o   87.758   17.527  104.045   37.066   68.712  147.717  106.419   38.291   89.143   37.919   88.644   17.914 0.4993057 41.93767 
1 1 1   -2   31    6 o  171.233   10.871  374.142   46.241  279.594   77.819  425.748   57.492  142.834   22.567  181.997   12.730 -39.16260 25.91016 
1 1 1   -2   31    7 o   75.119   13.651   74.443   24.665   83.336   53.881   72.085   27.742   78.097   24.682   73.390   15.617 4.707504 29.20784 
1 1 1   -2   31    8 o  284.677   12.534  1034.20   89.105  888.161  133.803  1150.58  119.442  258.188   20.933  297.786   16.122 -39.59799 26.42205 
1 1 1   -2   31    9 o  191.402   11.779  467.660   56.027  304.320   87.422  581.507   72.985  148.773   24.376  212.663   13.818 -63.89012 28.01989 
1 1 1   -2   31   10 o  135.611   16.017  240.240   53.193  176.449   73.338  311.051   77.268  111.794   26.647  152.400   20.850 -40.60593 33.83478 
1 1 1   -2   31   11 o  222.897   11.434  632.192   63.432  529.474   96.676  709.839   84.054  200.300   19.578  234.959   14.395 -34.65959 24.30084 
1 1 1   -2   31   12 o  279.880   11.962  995.307   83.604  982.450  123.200  1006.28  113.823  274.513   18.073  278.859   16.418 -4.346039 24.41686 
1 1 1   -2   31   13 o   67.008   14.392   59.542   23.364   44.424   45.986   64.801   27.125   62.465   22.743   69.663   15.938 -7.198204 27.77147 
1 1 1   -2   31   14 f  145.560   10.316  269.133   37.254  305.733   60.272  246.505   47.392  153.455   15.962  138.301   13.911 15.15446 21.17316 
1 1 1   -2   31   15 o  165.338   11.039  347.558   45.315  287.587   69.332  392.282   59.873  147.577   19.274  174.837   13.826 -27.26073 23.72000 
1 1 1   -2   31   16 o   74.727   16.000   74.294   28.957   70.391   82.382   74.844   30.930   79.498   30.150   74.817   16.948 4.680519 34.58654 
1 1 1   -2   31   17 f  113.131   11.219  163.534   31.276  159.509   50.982  165.963   39.605  109.350   19.380  113.181   14.334 -3.830307 24.10458 
1 1 1   -2   31   18 o  160.321   10.193  325.794   40.595  345.694   61.801  310.692   53.839  163.674   15.298  155.510   14.015 8.164124 20.74691 
1 1 1   -2   31   19 o  110.158   12.856  156.152   34.701  189.913   85.660  149.524   37.954  115.917   29.514  107.321   14.536 8.595474 32.89974 
1 1 1   -2   31   20 o  205.105   10.382  532.534   53.003  591.788   76.708  478.396   73.322  214.931   14.375  192.796   15.357 22.13490 21.03487 
1 1 1   -2   31   21 o  457.543   16.494  2688.01  188.454  2717.73  266.563  2658.32  266.466  453.015   23.645  447.729   23.919 5.286133 33.63390 
1 1 1   -2   31   22 o   91.026   20.722  112.007   46.047  134.377   55.196   60.803   83.507   99.295   22.748   77.622   30.119 21.67323 37.74441 
1 1 1   -2   31   23 o  425.373   15.311  2313.88  162.643  2404.24  229.733  2223.08  230.291  428.205   21.553  410.808   22.535 17.39642 31.18253 
1 1 1   -2   31   24 o  124.733   10.772  197.994   33.223  190.521   48.051  204.839   45.986  120.870   16.338  125.825   14.927 -4.955002 22.13032 
1 1 1   -2   31   25 o  140.680   10.415  251.213   36.327  274.044   51.220  228.105   51.529  145.970   14.233  132.565   15.882 13.40565 21.32620 
1 1 1   -2   31   26 o  107.397   11.280  147.480   29.801  114.748   42.421  179.374   41.874   92.571   18.988  117.719   14.555 -25.14771 23.92432 
1 1 1   -2   31   27 o  252.955   10.771  808.912   68.035  836.723   94.047  778.381   98.541  255.471   14.805  245.768   16.146 9.703384 21.90641 
1 1 1   -2   31   28 o  207.946   10.214  546.160   53.037  540.919   72.243  552.286   78.111  205.408   14.171  207.161   15.205 -1.752686 20.78491 
1 1 1   -2   31   29 o  113.097   13.353  165.096   36.985  185.040   60.735  153.341   46.628  117.047   21.574  107.535   18.000 9.512146 28.09680 
1 1 1   -2   31   30 o   74.036   13.478   71.984   23.999   39.821   32.374  111.222   35.758   56.798   19.204   91.693   16.209 -34.89528 25.13035 
1 1 1   -2   31   31 o   41.707   14.347   20.493   18.081   8.1208   25.017   34.023   26.161   39.313   16.068   52.195   17.257 -12.88221 23.57896 
1 1 1   -2   31   32 o  160.823   10.359  329.001   41.383  312.794   54.711  350.671   63.264  155.522   14.246  164.185   15.618 -8.662735 21.13943 
1 1 1   -2   31   33 o  168.000   9.9988  358.814   41.758  358.770   54.628  358.875   64.767  166.889   13.216  165.822   15.833 1.067093 20.62439 
1 1 1   -2   31   34 o  231.290   10.741  680.217   62.039  672.465   82.695  690.196   93.829  227.807   14.614  229.686   16.468 -1.879669 22.01708 
1 1 1   -2   31   35 f   68.316   12.705   61.665   20.877   72.061   26.247   43.762   34.444   73.385   14.833   58.589   19.808 14.79538 24.74638 
1 1 1   -2   31   36 f  123.215   9.8671  194.178   30.105  213.984   38.433  162.727   48.431  128.638   12.107  109.550   18.353 19.08741 21.98610 
1 1 1   -2   31   37 o  239.559   13.120  743.536   78.188  797.339   88.929  560.299  164.114  247.136   14.473  186.811   36.489 60.32475 39.25398 
1 1 1   -2   31   38 o  175.685   16.347  410.677   70.895  455.784   83.849  297.581  132.770  183.574   18.545  131.648   38.166 51.92653 42.43321 
1 1 1   -2   31   39 f   89.500   34.631  119.235  110.159   0.0000   0.0000  119.235  110.159  ?   ?    89.500   34.631 0.000000 34.63063 
1 1 1   -2   31   40 o   54.701   17.038   40.277   25.773   27.460   40.488   49.010   33.419   52.972   20.851   60.104   19.486 -7.132748 28.53834 
1 1 1   -2   31   41 o   92.535   18.575  119.593   41.431   0.0000   0.0000  119.593   41.431  ?   ?    92.535   18.575 0.000000 18.57499 
1 1 1   -2   32    1 o  140.608   11.699  258.005   40.707  223.919   77.677  270.911   47.795  120.858   26.470  143.079   13.538 -22.22079 29.73108 
1 1 1   -2   32    2 o   44.628   19.271   2.7901   39.232 -61.6771   54.252   73.456   56.800   39.947   19.122   72.195   25.396 -32.24804 31.78992 
1 1 1   -2   32    3 o   81.920   14.930   90.496   29.418   12.527   63.630  111.693   33.176   57.232   24.628   91.151   15.104 -33.91917 28.89071 
1 1 1   -2   32    4 o   57.896   16.134   45.566   24.197   40.900   56.434   46.616   26.784   62.568   24.620   58.578   17.188 3.989372 30.02624 
1 1 1   -2   32    5 o   51.874   15.698   35.701   22.074   25.610   53.741   37.749   24.211   57.648   23.555   53.384   16.495 4.263302 28.75590 
1 1 1   -2   32    6 o  144.549   11.975  269.528   42.835  157.118   76.684  320.511   51.644  102.657   28.763  157.150   13.284 -54.49299 31.68233 
1 1 1   -2   32    7 o  133.317   15.926  234.574   51.972  313.044  154.002  224.489   55.211  135.686   41.548  129.678   17.496 6.007767 45.08189 
1 1 1   -2   32    8 o  131.980   12.097  224.492   39.427  143.996   71.072  260.276   47.387   99.495   27.624  141.644   13.563 -42.14878 30.77435 
1 1 1   -2   32    9 o  179.946   11.389  414.140   50.913  335.614   83.531  460.555   64.220  156.938   21.912  188.814   13.714 -31.87613 25.84965 
1 1 1   -2   32   10 o  164.846   11.763  348.047   48.106  246.925   78.664  408.456   60.800  133.062   24.580  177.831   13.799 -44.76909 28.18824 
1 1 1   -2   32   11 o   57.762   15.428   44.602   22.674   44.968   50.766   44.511   25.343   63.566   23.761   57.826   16.649 5.739914 29.01353 
1 1 1   -2   32   12 o  101.671   19.396  139.749   47.448  101.781   63.607  187.381   71.244   85.581   26.785  115.481   25.396 -29.89984 36.91046 
1 1 1   -2   32   13 o  128.513   11.646  211.642   36.968  200.957   62.920  217.275   45.685  121.599   21.508  129.374   14.384 -7.775284 25.87464 
1 1 1   -2   32   14 o   51.436   14.888   34.771   20.218   38.209   46.468   33.969   22.455   60.177   22.686   51.286   15.892 8.891445 27.69880 
1 1 1   -2   32   15 o  116.822   12.157  175.410   34.944  142.378   58.685  193.556   43.497  101.358   23.622  122.054   14.558 -20.69630 27.74817 
1 1 1   -2   32   16 o  112.348   10.886  161.384   30.158  180.845   53.088  152.111   36.644  116.459   18.903  108.248   13.876 8.210381 23.44888 
1 1 1   -2   32   17 o  161.012   13.851  333.644   55.150  450.367  109.621  294.088   63.815  181.846   24.786  149.804   17.382 32.04134 30.27312 
1 1 1   -2   32   18 o  172.043   15.636  383.396   66.441  268.074  117.633  437.420   80.513  134.482   34.771  182.884   17.857 -48.40137 39.08859 
1 1 1   -2   32   19 o  252.151   11.823  807.199   74.449  772.018  107.206  839.968  103.466  243.515   17.752  254.837   16.345 -11.32211 24.13055 
1 1 1   -2   32   20 o   91.542   12.703  108.542   28.257  106.227   47.320  109.825   35.227   88.146   21.654   91.171   16.059 -3.024590 26.95922 
1 1 1   -2   32   21 o  258.142   11.120  844.183   71.682  933.268  102.819  759.938   99.987  269.270   15.355  242.265   16.628 27.00507 22.63301 
1 1 1   -2   32   22 o   97.932   12.162  123.593   29.101  110.127   47.565  131.649   36.790   89.814   21.494  100.303   15.161 -10.48886 26.30349 
1 1 1   -2   32   23 o  417.300   22.528  2309.97  233.885  2664.54  325.995  1933.86  335.748  438.615   29.942  363.492   37.529 75.12280 48.00955 
1 1 1   -2   32   24 o   44.873   19.000   3.9895   36.805  -5.5660   40.548   48.699   87.708   44.269   19.348   75.281   30.334 -31.01123 35.97955 
1 1 1   -2   32   25 o   90.233   11.884  105.073   26.127   97.658   41.146  110.082   33.820   84.869   19.780   91.467   15.351 -6.598526 25.03803 
1 1 1   -2   32   26 o   85.552   11.792   94.599   24.522  121.869   38.796   76.454   31.646   95.875   16.817   75.475   17.176 20.39906 24.03869 
1 1 1   -2   32   27 o   75.813   13.325   75.388   24.306   39.344   37.010  102.725   32.232   57.797   20.482   88.286   15.166 -30.48921 25.48544 
1 1 1   -2   32   28 o  181.120   10.463  416.818   47.122  496.734   65.211  329.491   68.167  196.741   13.352  158.430   17.524 38.31067 22.03088 
1 1 1   -2   32   29 o  177.930   10.156  402.167   44.939  416.979   61.200  384.835   66.200  179.939   13.723  172.071   15.575 7.868286 20.75861 
1 1 1   -2   32   30 o  115.577   10.429  170.730   29.776  159.050   41.210  183.490   43.072  110.024   15.423  118.497   14.884 -8.473122 21.43353 
1 1 1   -2   32   31 o  123.329   14.202  198.114   42.941  129.414   69.199  241.134   54.759   94.936   27.562  135.271   16.556 -40.33480 32.15268 
1 1 1   -2   32   32 o   92.164   11.755  110.074   26.438   71.852   34.636  163.436   40.925   72.437   18.936  111.457   15.092 -39.01968 24.21408 
1 1 1   -2   32   33 o  129.205   10.336  213.604   33.071  233.173   43.918  187.975   50.259  134.004   13.300  118.501   17.512 15.50261 21.98964 
1 1 1   -2   32   34 o   62.949   13.587   53.011   20.732   62.592   27.681   40.771   31.288   67.807   16.504   56.356   18.880 11.45151 25.07615 
1 1 1   -2   32   35 o  138.899   9.7434  246.629   33.582  263.714   43.766  222.172   52.366  142.643   12.410  128.956   16.650 13.68704 20.76657 
1 1 1   -2   32   36 o   91.039   10.875  107.508   24.234  107.052   31.165  108.205   38.545   89.629   14.412   88.674   18.021 0.9542770 23.07558 
1 1 1   -2   32   37 o  249.347   11.113  798.429   69.197  746.901   92.144  865.068  104.789  237.554   15.620  254.841   16.556 -17.28691 22.76151 
1 1 1   -2   32   38 o  159.504   10.149  326.861   40.215  340.857   52.024  306.080   63.393  161.459   13.013  150.478   17.178 10.98145 21.55072 
1 1 1   -2   32   39 o   89.986   16.501  110.856   35.713  107.661   37.447  142.999  118.761   88.135   17.630   93.538   36.023 -5.403114 40.10606 
1 1 1   -2   32   40 o  108.099   37.532  212.307  123.865   0.0000   0.0000  212.307  123.865  ?   ?   108.099   37.532 0.000000 37.53191 
1 1 1   -2   33    1 o   58.695   17.814   49.238   28.395   0.0000   0.0000   49.238   28.395  ?   ?    58.695   17.814 0.000000 17.81360 
1 1 1   -2   33    2 o  107.129   14.148  155.097   36.923   30.988   72.477  198.597   42.909   61.624   26.395  121.204   14.462 -59.58011 30.09755 
1 1 1   -2   33    3 o  136.594   17.752  258.560   59.120  155.704   83.060  364.179   84.168   96.220   30.670  158.667   21.820 -62.44785 37.64019 
1 1 1   -2   33    4 o  109.887   13.244  160.146   35.610  100.535   70.146  180.843   41.332   81.020   28.238  116.172   14.568 -35.15153 31.77393 
1 1 1   -2   33    5 o  152.574   12.664  304.566   47.814  128.373   84.437  387.735   58.012   89.987   31.002  171.651   13.646 -81.66442 33.87292 
1 1 1   -2   33    6 o   80.077   14.463   86.272   27.858   28.307   60.153  102.099   31.431   59.741   24.719   87.064   14.998 -27.32322 28.91323 
1 1 1   -2   33    7 f   73.461   14.238   72.525   25.177  131.966   58.286   58.890   27.915   94.944   24.439   65.407   16.952 29.53634 29.74286 
1 1 1   -2   33    8 o   68.329   17.602   64.301   30.218  110.294  153.708   62.452   30.820   93.025   39.078   67.297   17.992 25.72789 43.02116 
1 1 1   -2   33    9 o   87.611   13.546  101.320   28.680   54.367   59.732  115.388   32.695   67.819   25.684   93.268   14.509 -25.44936 29.49893 
1 1 1   -2   33   10 o   84.260   13.626   93.762   27.691  100.725   56.572   91.567   31.756   83.946   25.069   82.462   15.998 1.484940 29.73903 
1 1 1   -2   33   11 o   54.875   15.085   40.360   21.313   96.069   51.717   28.963   23.392   82.447   23.796   48.334   16.324 34.11299 28.85709 
1 1 1   -2   33   12 o   98.101   13.087  125.606   31.260   85.723   60.150  140.364   36.590   78.900   26.171  103.280   14.594 -24.38013 29.96441 
1 1 1   -2   33   13 o  178.569   15.852  417.231   69.954  387.170   95.539  451.973  102.708  167.560   23.477  181.401   23.205 -13.84114 33.01012 
1 1 1   -2   33   14 f   95.160   12.766  117.852   29.570  112.116   56.474  120.018   34.709   89.082   24.583   95.311   15.085 -6.229683 28.84284 
1 1 1   -2   33   15 o   69.349   14.899   64.288   25.033   54.163   51.271   67.457   28.685   66.745   24.058   70.702   16.541 -3.956520 29.19569 
1 1 1   -2   33   16 o  101.032   11.902  131.806   29.451  155.013   55.104  122.526   34.846  106.203   21.515   96.450   14.952 9.752823 26.20016 
1 1 1   -2   33   17 o   83.564   14.811   92.393   29.776   46.761   54.493  111.816   35.552   65.169   24.567   91.711   16.112 -26.54211 29.37925 
1 1 1   -2   33   18 o   97.782   12.354  123.781   29.492  122.369   54.046  124.379   35.194   93.704   23.216   97.239   14.974 -3.535072 27.62633 
1 1 1   -2   33   19 f  183.648   14.100  435.249   64.169  586.174  121.280  376.572   75.621  207.468   23.843  168.910   18.216 38.55818 30.00515 
1 1 1   -2   33   20 o  161.511   12.880  335.227   51.517  278.218   71.404  397.120   74.400  143.949   20.438  173.953   17.359 -30.00397 26.81503 
1 1 1   -2   33   21 o  103.802   11.774  138.779   29.979  159.576   50.658  127.570   37.190  108.856   19.344   98.317   15.674 10.53835 24.89736 
1 1 1   -2   33   22 o  136.338   11.752  238.203   39.621  205.177   59.933  263.841   52.806  123.415   20.141  142.404   15.079 -18.98831 25.16045 
1 1 1   -2   33   23 o  140.094   10.866  250.532   37.716  272.375   57.649  234.187   49.869  144.221   16.293  134.034   15.166 10.18675 22.25896 
1 1 1   -2   33   24 o   83.007   13.745   90.481   27.495   62.642   45.686  106.290   34.427   69.127   22.802   89.436   16.002 -20.30921 27.85703 
1 1 1   -2   33   25 o  113.568   19.498  173.872   53.304  198.285   62.651  109.868  101.443  120.512   21.612   91.095   33.680 29.41753 40.01802 
1 1 1   -2   33   26 f  299.249   19.459  1185.33  144.626  1424.64  194.119  886.762  216.824  323.260   24.223  241.688   37.112 81.57259 44.31757 
1 1 1   -2   33   27 o  161.191   10.535  331.291   42.171  322.797   60.022  339.572   59.263  157.234   15.488  161.577   14.854 -4.343353 21.45951 
1 1 1   -2   33   28 o  104.942   11.361  141.872   29.298  150.752   43.274  134.358   39.808  106.365   16.854  100.448   16.439 5.917755 23.54356 
1 1 1   -2   33   29 o  185.667   10.413  439.510   48.085  426.490   66.166  454.083   70.000  181.014   14.766  186.613   15.152 -5.598892 21.15720 
1 1 1   -2   33   30 o  176.382   10.313  396.951   45.228  437.098   62.106  351.615   65.997  183.677   13.638  163.303   16.406 20.37360 21.33368 
1 1 1   -2   33   31 o  227.984   11.121  663.803   63.315  689.622   85.678  632.742   93.976  229.852   15.009  218.538   17.363 11.31425 22.95144 
1 1 1   -2   33   32 o   91.372   14.709  111.003   32.422  127.368   62.171  104.890   37.998   93.421   25.799   87.549   17.982 5.872086 31.44748 
1 1 1   -2   33   33 o  102.399   14.495  138.932   36.030  112.135   62.962  151.980   43.934   87.377   26.527  106.018   17.183 -18.64076 31.60610 
1 1 1   -2   33   34 f  107.727   10.732  149.935   28.485  153.055   38.273  146.061   42.650  107.350   14.661  103.772   17.051 3.577721 22.48703 
1 1 1   -2   33   35 o  123.471   10.659  196.748   32.542  211.494   42.917  176.803   49.914  126.706   13.786  113.563   18.217 13.14320 22.84515 
1 1 1   -2   33   36 o  143.095   10.212  263.496   36.252  286.113   47.471  231.851   56.151  147.815   12.992  130.390   17.703 17.42557 21.95877 
1 1 1   -2   33   37 o  136.393   10.458  240.164   35.350  225.454   45.906  261.593   55.408  130.269   14.350  139.300   16.233 -9.031219 21.66610 
1 1 1   -2   33   38 o  136.196   10.055  239.141   33.957  249.264   44.001  224.236   53.394  137.667   12.952  128.161   17.111 9.506500 21.45977 
1 1 1   -2   33   39 o  116.201   17.534  186.109   49.296   0.0000   0.0000  186.109   49.296  ?   ?   116.201   17.534 0.000000 17.53389 
1 1 1   -2   34    1 o  119.580   19.455  214.492   56.098   0.0000   0.0000  214.492   56.098  ?   ?   119.580   19.455 0.000000 19.45488 
1 1 1   -2   34    2 o   44.913   16.175   25.770   23.172   26.358   60.284   25.668   25.100   55.649   23.959   45.407   16.760 10.24237 29.23971 
1 1 1   -2   34    3 o  140.678   13.483  267.334   46.785   78.055   88.215  341.408   55.185   71.973   29.870  158.567   14.083 -86.59425 33.02357 
1 1 1   -2   34    4 o  116.722   13.274  183.123   38.002   84.147   75.178  217.094   44.044   73.679   28.581  126.583   14.177 -52.90347 31.90359 
1 1 1   -2   34    5 o  129.351   18.196  235.447   57.150  178.637   82.032  289.024   79.664  102.244   30.103  138.230   23.946 -35.98598 38.46577 
1 1 1   -2   34    6 o  111.641   13.453  166.417   36.750   27.378   69.886  219.561   43.206   60.764   25.970  128.264   13.701 -67.50093 29.36250 
1 1 1   -2   34    7 o  131.424   12.258  226.790   39.765  152.064   73.935  257.205   47.168   97.306   28.559  139.167   13.752 -41.86165 31.69755 
1 1 1   -2   34    8 o   71.629   16.007   70.852   27.910 -29.3463   61.554   96.784   31.314   47.916   22.102   84.255   15.453 -36.33966 26.96846 
1 1 1   -2   34    9 o  107.195   13.155  151.683   34.474  122.912   65.996  162.480   40.429   89.633   27.147  110.088   15.104 -20.45459 31.06617 
1 1 1   -2   34   10 o  207.117   16.634  573.894   85.308  724.822  188.047  534.784   95.725  207.744   37.634  197.310   19.691 10.43448 42.47409 
1 1 1   -2   34   11 o  101.570   14.264  136.941   35.182   32.690   65.176  179.810   41.795   62.586   25.798  116.413   14.705 -53.82743 29.69483 
1 1 1   -2   34   12 o  140.034   12.438  254.739   43.041  217.696   74.828  273.054   52.617  122.273   25.339  143.858   14.861 -21.58432 29.37558 
1 1 1   -2   34   13 o  157.498   12.465  321.367   48.624  186.987   80.044  399.955   61.212  111.350   28.628  174.930   14.133 -63.58070 31.92647 
1 1 1   -2   34   14 o   81.553   14.305   88.599   28.071  126.368   56.333   76.122   32.377   93.719   23.974   74.442   17.680 19.27653 29.78780 
1 1 1   -2   34   15 o   52.992   21.517   20.945   44.497   46.004   57.052 -17.9706   71.097   64.746   24.959   54.830   24.688 9.916767 35.10587 
1 1 1   -2   34   16 o  101.629   14.068  135.881   34.746   33.477   62.316  182.079   41.856   62.805   25.477  117.699   14.550 -54.89477 29.33938 
1 1 1   -2   34   17 o  150.792   12.499  293.701   46.641  234.577   85.312  318.907   55.702  126.713   27.731  156.324   14.432 -29.61166 31.26188 
1 1 1   -2   34   18 o   66.331   16.070   59.601   26.339   18.679   50.378   74.995   30.898   54.826   22.648   74.256   17.026 -19.42995 28.33438 
1 1 1   -2   34   19 o   97.365   12.934  123.733   30.669  135.552   54.569  118.277   37.079   98.162   22.712   93.970   16.398 4.191559 28.01304 
1 1 1   -2   34   20 o   88.313   13.034  102.176   27.881  111.951   50.437   97.875   33.458   89.179   22.615   85.345   16.293 3.834511 27.87347 
1 1 1   -2   34   21 o  139.974   14.450  255.796   49.781  333.341  110.438  236.022   55.768  150.013   30.519  133.225   17.162 16.78772 35.01376 
1 1 1   -2   34   22 o   76.225   13.894   77.069   25.472   83.443   48.366   74.622   29.964   77.365   23.197   74.220   16.585 3.145485 28.51572 
1 1 1   -2   34   23 o   86.574   12.636   98.012   26.513   88.168   47.619  102.434   31.918   79.330   22.816   87.747   15.112 -8.417831 27.36687 
1 1 1   -2   34   24 o   80.608   13.509   85.774   26.231   55.244   46.452  100.067   31.783   65.744   22.975   86.636   15.248 -20.89219 27.57468 
1 1 1   -2   34   25 o  253.083   11.380  818.346   71.922  947.066  102.472  693.370  100.970  269.427   15.293  228.642   17.825 40.78519 23.48659 
1 1 1   -2   34   26 o  204.396   10.478  533.475   53.301  583.982   76.473  485.756   74.331  211.739   14.551  192.432   15.603 19.30743 21.33497 
1 1 1   -2   34   27 o   83.881   21.688   99.090   45.765  112.685   50.500   36.624  108.249   89.127   22.644   75.217   32.239 13.91015 39.39663 
1 1 1   -2   34   28 o   89.593   12.528  105.093   27.262  103.535   43.182  106.126   35.154   86.062   20.403   88.640   16.488 -2.578033 26.23265 
1 1 1   -2   34   29 o  118.235   11.210  180.476   32.703  185.197   48.012  176.391   44.666  117.462   16.851  114.982   15.989 2.479492 23.22902 
1 1 1   -2   34   30 o   89.722   12.130  105.332   26.481  119.337   40.345   94.731   35.100   93.309   17.967   83.098   17.469 10.21108 25.05950 
1 1 1   -2   34   31 o  211.551   10.898  574.970   57.377  601.655   78.321  544.060   84.295  213.954   14.749  201.863   16.877 12.09077 22.41366 
1 1 1   -2   34   32 o  166.683   10.180  356.548   42.168  381.030   57.594  328.261   61.908  170.536   13.638  156.816   16.035 13.71962 21.05024 
1 1 1   -2   34   33 o  103.793   10.768  139.696   27.504  152.584   38.652  126.478   39.145  106.809   14.897   96.173   16.917 10.63571 22.54135 
1 1 1   -2   34   34 o   28.219   12.330  -2.4025   16.455 -60.9507   54.323   3.5127   17.267   40.071   19.169   31.462   13.149 8.608803 23.24555 
1 1 1   -2   34   35 o   74.120   15.937   75.686   28.621   79.640   60.256   74.534   32.524   74.269   26.154   72.798   17.994 1.470886 31.74552 
1 1 1   -2   34   36 o   60.841   13.594   50.342   20.134   58.110   28.392   42.483   28.556   64.413   17.289   55.924   18.000 8.488300 24.95822 
1 1 1   -2   34   37 o  107.824   10.859  151.484   28.841  141.980   38.411  163.767   43.668  102.194   15.541  109.347   16.506 -7.152534 22.67101 
1 1 1   -2   34   38 o  105.654   17.253  154.652   43.947   0.0000   0.0000  154.652   43.947  ?   ?   105.654   17.253 0.000000 17.25251 
1 1 1   -2   34   39 f   36.157   14.814   8.0690   21.331   0.0000   0.0000   8.0690   21.331  ?   ?    36.157   14.814 0.000000 14.81418 
1 1 1   -2   35    1 o   60.553   17.135   56.255   27.076   40.046   66.288   59.501   29.663   56.545   24.725   61.711   18.083 -5.165543 30.63223 
1 1 1   -2   35    2 o   44.162   17.425   22.604   28.342   0.0000   0.0000   22.604   28.342  ?   ?    44.162   17.425 0.000000 17.42509 
1 1 1   -2   35    3 o   74.973   17.176   83.656   31.467 -48.6639   69.883  117.306   35.241   45.086   21.614   89.853   16.307 -44.76683 27.07534 
1 1 1   -2   35    4 o   68.302   17.136   68.945   29.178   35.650   66.337   76.931   32.490   58.225   25.101   71.606   18.147 -13.38128 30.97342 
1 1 1   -2   35    5 o   88.941   15.456  111.561   33.082   42.715   70.312  131.134   37.490   61.250   26.110   96.058   16.206 -34.80801 30.73054 
1 1 1   -2   35    6 o   41.816   16.006   19.130   23.354 -20.9863   60.055   26.278   25.349   46.950   21.718   45.996   16.864 0.9545631 27.49689 
1 1 1   -2   35    7 o   80.970   22.550  101.430   47.283  102.733   65.772  100.035   68.021   78.864   27.351   77.867   27.748 0.9973450 38.96204 
1 1 1   -2   35    8 o  136.810   13.074  249.778   44.123   85.324   78.848  324.754   53.239   74.673   29.185  155.538   13.852 -80.86549 32.30552 
1 1 1   -2   35    9 o  107.533   12.846  154.082   33.813  128.331   65.771  163.333   39.422   89.135   27.124  109.691   14.767 -20.55598 30.88347 
1 1 1   -2   35   10 f   60.906   16.027   51.814   24.706   57.875   58.203   50.482   27.286   66.112   25.277   59.953   17.279 6.158993 30.61899 
1 1 1   -2   35   11 o   86.704   14.036  101.360   29.352   86.391   60.446  105.978   33.576   75.965   26.228   87.837   15.893 -11.87224 30.66690 
1 1 1   -2   35   12 f   32.435   13.767   2.1743   19.396 -106.7942  157.038   3.8625   19.546   66.266   31.930   33.258   13.951 33.00793 34.84468 
1 1 1   -2   35   13 o   32.882   13.560   5.4042   18.017 -26.0919   53.142   9.4946   19.151   44.879   20.641   35.614   14.237 9.265385 25.07481 
1 1 1   -2   35   14 o  138.022   11.838  247.939   40.407  253.012   70.951  245.504   49.158  133.159   22.113  135.860   14.725 -2.700439 26.56716 
1 1 1   -2   35   15 o   42.620   15.195   21.306   20.400   9.4298   53.477   23.328   22.069   52.680   22.621   44.383   15.806 8.296268 27.59658 
1 1 1   -2   35   16 o  141.327   13.300  261.819   46.385   94.704   86.668  328.905   54.912   81.794   30.947  158.105   14.055 -76.31010 33.98892 
1 1 1   -2   35   17 o   54.087   22.927   14.010   53.682   14.010   53.682   0.0000   0.0000   54.087   22.927  ?   ?  0.000000 22.92704 
1 1 1   -2   35   18 o   80.969   14.486   87.948   28.215   35.849   54.193  107.321   33.047   60.273   23.996   89.288   15.376 -29.01516 28.49955 
1 1 1   -2   35   19 o  158.827   11.047  324.920   43.544  370.104   70.151  296.600   55.538  166.118   17.158  149.768   15.054 16.35043 22.82557 
1 1 1   -2   35   20 o   74.446   14.007   74.245   25.085   97.269   51.148   66.952   28.785   82.040   23.661   69.814   16.730 12.22643 28.97807 
1 1 1   -2   35   21 o  104.346   12.472  142.321   31.856  120.074   55.470  153.269   38.912   90.823   24.070  107.350   14.919 -16.52759 28.31852 
1 1 1   -2   35   22 o   55.997   15.211   42.499   21.822   32.026   47.148   45.354   24.617   57.077   22.489   57.760   16.336 -0.6829796 27.79663 
1 1 1   -2   35   23 f   90.211   15.897  109.842   34.503  126.202  104.783  107.852   36.541   91.531   34.153   88.892   17.082 2.638962 38.18667 
1 1 1   -2   35   24 o   74.943   13.312   74.782   24.001  118.289   47.053   59.481   27.904   91.398   21.050   65.757   16.901 25.64086 26.99508 
1 1 1   -2   35   25 f   59.829   14.810   48.644   22.009   40.967   43.580   51.272   25.500   59.008   22.024   61.187   16.369 -2.178921 27.44051 
1 1 1   -2   35   26 o  102.875   12.488  138.605   31.424  138.767   50.173  138.501   40.308   99.086   20.933  101.145   16.530 -2.059479 26.67281 
1 1 1   -2   35   27 o   20.138   9.3587  -9.7738   11.347 -19.0940   34.912  -8.6731   11.998   36.872   16.874   21.302   9.8013 15.57000 19.51412 
1 1 1   -2   35   28 o   86.821   13.054   99.852   27.425   96.343   44.599  101.986   34.778   81.882   21.527   86.280   16.745 -4.398132 27.27298 
1 1 1   -2   35   29 o  214.488   17.795  622.888   94.450  648.862  114.761  568.360  166.277  215.022   21.668  182.295   37.768 32.72659 43.54231 
1 1 1   -2   35   30 o  169.383   10.827  370.438   45.555  401.946   64.792  339.634   64.063  173.848   15.074  158.840   16.386 15.00809 22.26494 
1 1 1   -2   35   31 o  107.786   11.244  151.421   29.818  164.099   44.906  141.422   39.880  109.500   16.972  101.898   16.216 7.602318 23.47308 
1 1 1   -2   35   32 o   73.093   13.198   71.776   23.204   72.569   36.260   71.225   30.197   71.232   19.715   71.354   17.158 -0.1215820 26.13554 
1 1 1   -2   35   33 o   77.259   12.610   79.662   23.489   90.398   35.608   71.390   31.254   79.972   18.235   71.164   17.668 8.808434 25.39052 
1 1 1   -2   35   34 o   56.749   14.271   44.226   20.203   21.459   31.051   60.939   26.604   46.707   18.298   66.084   16.238 -19.37651 24.46408 
1 1 1   -2   35   35 f  101.738   14.028  139.095   34.692  237.891   75.774  112.895   39.022  125.131   25.123   89.444   18.092 35.68709 30.95914 
1 1 1   -2   35   36 o   78.716   15.528   85.564   29.440  144.440   68.733   72.336   32.580   94.864   27.448   71.156   18.248 23.70834 32.96059 
1 1 1   -2   35   37 o   51.390   16.325   35.899   23.548   41.238   62.723   35.023   25.407   62.077   25.415   51.162   17.010 10.91529 30.58238 
1 1 1   -2   35   38 f   85.567   17.568  103.688   36.282   0.0000   0.0000  103.688   36.282  ?   ?    85.567   17.568 0.000000 17.56838 
1 1 1   -2   36    1 o   63.876   17.720   65.715   29.256   21.397   68.841   75.484   32.320   51.263   23.546   67.839   18.547 -16.57594 29.97359 
1 1 1   -2   36    2 o   37.093   15.258   12.494   22.740   29.952   65.232   10.079   24.261   52.953   23.761   36.827   15.501 16.12527 28.37052 
1 1 1   -2   36    3 o   76.454   16.910   89.223   31.428  102.253   70.653   86.008   35.091   70.205   27.572   73.184   19.025 -2.978920 33.49893 
1 1 1   -2   36    4 o  109.999   20.398  192.588   53.967   0.0000   0.0000  192.588   53.967  ?   ?   109.999   20.398 0.000000 20.39780 
1 1 1   -2   36    5 f   64.395   17.361   63.043   28.553 -22.5856   67.628   81.618   31.498   47.136   22.206   73.414   17.440 -26.27763 28.23587 
1 1 1   -2   36    6 o   89.296   14.503  112.731   31.230  123.231   67.170  109.835   35.275   80.778   27.660   86.328   16.968 -5.549942 32.44949 
1 1 1   -2   36    7 o  104.177   13.924  150.528   35.316   59.036   72.852  178.634   40.378   63.983   26.892  113.016   14.652 -49.03354 30.62463 
1 1 1   -2   36    8 o   42.525   19.056  -3.3072   41.802 -32.3218   55.130   35.936   64.116   42.720   20.103   58.301   24.895 -15.58173 31.99813 
1 1 1   -2   36    9 f   52.946   16.602   39.795   24.424 -29.5127   57.346   55.153   26.995   44.329   20.745   61.568   16.999 -17.23966 26.82043 
1 1 1   -2   36   10 o   46.055   15.803   28.007   21.927   42.916   55.850   25.290   23.842   59.486   24.123   45.088   16.382 14.39708 29.15981 
1 1 1   -2   36   11 o   91.293   14.871  115.057   32.736   46.812   65.543  137.739   37.786   62.768   25.872   99.516   15.728 -36.74724 30.27724 
1 1 1   -2   36   12 o   92.333   15.014  117.377   33.429 -19.2387   66.220  164.099   38.726   50.090   23.039  109.793   14.478 -59.70363 27.21050 
1 1 1   -2   36   13 o   39.194   15.116   15.332   20.933 -78.1491   55.847   30.613   22.579   37.987   18.478   48.045   16.039 -10.05859 24.46765 
1 1 1   -2   36   14 o   93.935   17.647  124.344   39.874   30.382  168.469  129.921   41.041   77.240   35.951   95.991   17.776 -18.75092 40.10535 
1 1 1   -2   36   15 f  121.230   13.712  196.444   40.781  164.900   80.619  207.290   47.275   99.213   29.994  123.352   15.703 -24.13923 33.85649 
1 1 1   -2   36   16 o   96.378   25.552  144.070   62.494  144.070   62.494   0.0000   0.0000   96.378   25.552  ?   ?  0.000000 25.55166 
1 1 1   -2   36   17 o   85.343   13.693   97.970   28.195  134.519   57.868   86.592   32.287   94.055   24.422   78.728   16.926 15.32785 29.71403 
1 1 1   -2   36   18 o  118.076   12.721  184.016   36.918  211.807   65.432  171.038   44.714  120.402   22.592  111.794   16.514 8.608475 27.98428 
1 1 1   -2   36   19 o   55.569   22.266   30.380   46.967   4.6221   54.850  101.168   90.928   51.562   22.520   81.867   31.523 -30.30476 38.74088 
1 1 1   -2   36   20 o  108.090   12.758  154.304   33.773  123.613   59.166  169.138   41.132   90.056   25.276  112.071   15.080 -22.01446 29.43284 
1 1 1   -2   36   21 f   42.425   14.407   22.527   18.221   89.527   47.377   10.896   19.740   77.947   22.857   36.628   14.514 41.31895 27.07546 
1 1 1   -2   36   22 o   32.302   13.023   6.9996   16.173   31.463   46.090   3.5645   17.271   55.755   22.151   31.442   13.147 24.31291 25.75816 
1 1 1   -2   36   23 o   88.603   13.265  104.670   28.448  100.335   52.348  106.487   33.889   81.948   24.025   88.196   15.975 -6.247368 28.85138 
1 1 1   -2   36   24 o   85.955   13.126   98.511   27.281  141.771   51.025   81.195   32.282   99.082   21.259   76.197   17.354 22.88463 27.44266 
1 1 1   -2   36   25 o   81.876   16.097   92.289   31.738  149.245  108.955   87.008   33.177   93.650   34.849   78.922   17.310 14.72768 38.91168 
1 1 1   -2   36   26 o   45.627   14.564   27.367   18.725   60.659   41.473   18.843   20.985   65.602   21.729   41.322   15.311 24.28031 26.58157 
1 1 1   -2   36   27 f   46.709   14.863   28.855   19.512  -3.0427   40.515   38.488   22.265   43.458   19.156   53.056   15.700 -9.598469 24.76835 
1 1 1   -2   36   28 o  152.381   11.643  303.083   43.969  325.360   64.842  284.121   59.824  154.166   17.133  144.113   16.947 10.05336 24.09848 
1 1 1   -2   36   29 o  128.406   11.759  216.035   37.286  215.462   55.980  216.491   49.987  124.053   18.648  125.934   16.276 -1.881279 24.75164 
1 1 1   -2   36   30 o   73.835   20.695   79.717   39.690   87.417   41.803   9.2990  126.414   77.100   21.099   70.135   32.102 6.964653 38.41445 
1 1 1   -2   36   31 f   68.852   21.399   69.257   40.681   61.097   42.790  145.943  131.175   65.368   22.078   90.418   36.856 -25.04951 42.96259 
1 1 1   -2   36   32 o   51.925   14.505   37.092   19.532   26.954   34.624   41.824   23.655   49.951   19.391   54.893   16.166 -4.942360 25.24552 
1 1 1   -2   36   33 o   90.539   11.791  108.598   26.027  134.286   40.221   90.093   34.138   98.041   17.047   79.641   17.631 18.40037 24.52476 
1 1 1   -2   36   34 o   68.975   13.171   64.646   21.858   72.761   34.554   59.233   28.223   70.787   19.104   64.540   17.200 6.247017 25.70614 
1 1 1   -2   36   35 o   32.901   12.922   9.3051   15.519   4.6956   27.454   11.469   18.812   38.371   16.335   36.104   14.212 2.266907 21.65231 
1 1 1   -2   36   36 o   99.356   11.884  130.975   28.901  112.043   41.559  148.704   40.217   87.653   19.491  103.596   16.066 -15.94301 25.25923 
1 1 1   -2   36   37 o  101.019   17.212  143.918   41.862   0.0000   0.0000  143.918   41.862  ?   ?   101.019   17.212 0.000000 17.21150 
1 1 1   -2   37    1 o   46.014   20.319   24.865   45.781   93.355   67.376 -33.8777   62.398   61.997   25.948   40.549   19.679 21.44865 32.56671 
1 1 1   -2   37    2 o   48.217   21.039   29.689   47.772   38.398   67.132   20.753   67.997   52.264   23.717   49.531   22.981 2.733341 33.02499 
1 1 1   -2   37    3 o   38.105   15.895   13.568   25.162  -8.7159   69.462   16.934   26.996   46.507   22.086   40.054   16.565 6.452770 27.60815 
1 1 1   -2   37    4 o   76.064   17.197   90.746   31.898   81.686   71.330   93.011   35.662   62.942   26.540   75.267   18.978 -12.32484 32.62742 
1 1 1   -2   37    5 o   33.328   14.526   2.6943   22.714 -76.5569   66.065   13.319   24.189   39.208   19.284   38.077   15.708 1.130951 24.87247 
1 1 1   -2   37    6 o   71.410   20.563   85.289   38.659   0.0000   0.0000   85.289   38.659  ?   ?    71.410   20.563 0.000000 20.56350 
1 1 1   -2   37    7 o   93.380   15.213  126.658   34.254  145.822   74.769  121.567   38.536   82.777   29.135   89.071   17.945 -6.294220 34.21826 
1 1 1   -2   37    8 o   23.252   11.083 -19.9353   17.815   13.440   57.722 -23.4492   18.730   50.130   22.433   23.221   11.147 26.90984 25.05026 
1 1 1   -2   37    9 o   51.352   17.083   38.433   25.622   23.937   61.594   41.466   28.175   53.642   23.634   53.028   17.915 0.6144257 29.65680 
1 1 1   -2   37   10 o   49.657   21.119   21.746   45.806   19.017   60.112   25.526   70.734   52.792   23.299   56.364   25.054 -3.571972 34.21357 
1 1 1   -2   37   11 o  149.423   13.098  304.401   48.382  218.501   84.903  345.709   58.877  106.906   30.375  157.071   15.201 -50.16505 33.96613 
1 1 1   -2   37   12 o  105.392   14.408  154.232   36.926  105.320   72.939  171.089   42.819   76.467   28.502  109.771   16.099 -33.30471 32.73424 
1 1 1   -2   37   13 o   59.085   16.278   50.464   24.785   86.720   60.310   43.096   27.187   72.264   26.086   54.754   17.557 17.51030 31.44365 
1 1 1   -2   37   14 o   38.909   14.912   16.089   20.288   43.385   63.562   12.992   21.408   60.682   25.284   37.940   15.089 22.74228 29.44374 
1 1 1   -2   37   15 o   87.000   39.341  171.856  182.794  171.856  182.794   0.0000   0.0000   87.000   39.341  ?   ?  0.000000 39.34063 
1 1 1   -2   37   16 o   35.966   14.285   11.155   19.163   26.785   59.530   9.3482   20.240   56.445   24.042   35.733   14.511 20.71135 28.08226 
1 1 1   -2   37   17 o   73.124   15.396   75.000   27.225   72.306   58.503   75.745   30.758   69.134   25.574   72.597   17.226 -3.462517 30.83440 
1 1 1   -2   37   18 o  115.100   12.874  177.374   36.371  157.789   66.250  185.823   43.514   98.387   26.411  116.244   15.367 -17.85714 30.55604 
1 1 1   -2   37   19 o   72.546   15.192   73.376   26.639  108.381   56.869   63.536   30.152   82.424   25.250   66.384   17.816 16.03940 30.90260 
1 1 1   -2   37   20 o   88.535   24.310  122.883   55.388  149.491   65.728   57.700  102.874   96.008   26.532   71.487   31.037 24.52012 40.83185 
1 1 1   -2   37   21 o  116.094   12.787  179.723   36.457  189.101   69.089  176.104   42.918  109.357   25.729  113.223   15.593 -3.865555 30.08530 
1 1 1   -2   37   22 o   94.130   13.739  119.849   31.344   95.028   57.109  130.549   37.497   77.768   25.486   97.039   16.034 -19.27036 30.11031 
1 1 1   -2   37   23 o   48.762   15.230   32.322   20.577   55.351   48.482   27.263   22.725   63.241   23.302   46.187   16.074 17.05361 28.30822 
1 1 1   -2   37   24 o   56.963   15.563   45.404   22.766   51.478   49.393   43.765   25.654   62.037   23.389   55.898   16.924 6.138287 28.86992 
1 1 1   -2   37   25 o  121.487   11.852  194.830   35.499  203.405   59.494  190.088   44.237  117.872   20.981  117.873   15.397 -0.6027222E-03 26.02423 
1 1 1   -2   37   26 o   86.890   16.470  105.724   34.429  113.837  118.146  104.971   35.991   82.736   34.472   86.090   17.341 -3.353127 38.58757 
1 1 1   -2   37   27 o   57.445   16.412   46.477   24.716   98.764  112.211   43.811   25.338   79.652   33.421   55.879   16.798 23.77345 37.40509 
1 1 1   -2   37   28 o   32.123   12.811   8.0064   15.473   71.388   39.608  -3.4076   16.808   69.309   21.040   27.911   12.319 41.39849 24.38085 
1 1 1   -2   37   29 o   52.925   14.824   38.931   20.373   62.205   41.203   31.400   23.438   65.133   21.663   48.576   16.340 16.55724 27.13430 
1 1 1   -2   37   30 o   38.872   13.969   17.931   17.274   20.076   37.288   17.346   19.491   48.067   19.628   39.493   14.731 8.574795 24.54101 
1 1 1   -2   37   31 o   42.728   14.392   23.635   18.182   39.905   37.237   18.541   20.835   55.309   20.414   40.703   15.221 14.60569 25.46411 
1 1 1   -2   37   32 o   44.836   18.770   12.927   35.268   6.4571   36.303  121.650  148.819   43.325   18.622   83.579   36.784 -40.25475 41.22882 
1 1 1   -2   37   33 o   32.857   13.171   8.2524   16.441 -17.2799   32.691   16.896   19.021   35.182   16.185   38.978   14.550 -3.795959 21.76326 
1 1 1   -2   37   34 o   42.856   14.271   24.063   17.880   17.962   32.277   26.764   21.476   45.200   18.336   45.376   15.635 -0.1759605 24.09669 
1 1 1   -2   37   35 o   83.629   12.542   94.372   25.385   94.895   39.266   93.997   33.274   79.809   19.798   81.103   16.974 -1.294495 26.07807 
1 1 1   -2   37   36 o   78.169   17.304   88.142   32.885   0.0000   0.0000   88.142   32.885  ?   ?    78.169   17.304 0.000000 17.30380 
1 1 1   -2   38    1 f   66.109   25.068  115.581   56.947   77.119   82.151  151.159   79.010   53.014   24.816   65.849   27.858 -12.83506 37.30836 
1 1 1   -2   38    2 o   50.124   22.026   47.063   53.185   74.139   76.759   22.062   73.760   54.582   24.994   47.428   22.591 7.153774 33.69061 
1 1 1   -2   38    3 o   43.277   19.962   10.323   50.209 -39.9567   69.326   65.790   72.814   41.003   20.083   54.891   24.825 -13.88817 31.93101 
1 1 1   -2   38    4 o   41.886   16.785   23.509   26.692   34.580   73.370   21.820   28.655   51.281   23.821   41.674   17.133 9.607319 29.34245 
1 1 1   -2   38    5 f   31.077   13.999  -2.9119   22.892   75.116   69.550 -12.3918   24.242   59.325   25.638   29.309   13.640 30.01640 29.04063 
1 1 1   -2   38    6 o   37.958   15.761   13.785   24.580   25.357   69.337   12.122   26.288   51.288   23.585   38.010   16.074 13.27741 28.54156 
1 1 1   -2   38    7 o   53.720   19.241   46.867   32.744   0.0000   0.0000   46.867   32.744  ?   ?    53.720   19.241 0.000000 19.24054 
1 1 1   -2   38    8 o   39.819   15.986   17.528   24.259 -41.7106   68.474   26.031   25.942   43.365   20.942   44.076   16.870 -0.7114067 26.89196 
1 1 1   -2   38    9 o   62.116   17.392   60.394   28.048   62.596   65.587   59.902   31.029   60.285   25.436   61.046   18.642 -0.7609901 31.53628 
1 1 1   -2   38   10 o   53.160   17.113   42.992   25.809   55.783   65.690   40.657   28.066   59.422   25.282   51.862   17.874 7.560089 30.96187 
1 1 1   -2   38   11 o   68.779   17.706   73.003   30.591   5.0850   67.207   90.752   34.357   50.574   23.243   76.485   18.244 -25.91103 29.54778 
1 1 1   -2   38   12 o   41.346   19.170 -15.1060   47.188  -9.9003   61.369 -22.6354   73.806   47.052   21.832   48.666   23.010 -1.613686 31.71883 
1 1 1   -2   38   13 o   35.715   14.553   10.460   20.442   53.514   64.207   5.6034   21.564   60.516   25.330   34.297   14.534 26.21872 29.20326 
1 1 1   -2   38   14 o   64.826   25.839   68.819   62.907   68.819   62.907   0.0000   0.0000   64.826   25.839  ?   ?  0.000000 25.83913 
1 1 1   -2   38   15 o   16.817   8.2630 -23.5163   12.033 -61.7907   54.489 -21.5543   12.337   38.064   18.454   17.595   8.5862 20.46913 20.35386 
1 1 1   -2   38   16 o   84.729   15.385  102.312   31.354   69.478   63.940  112.707   35.976   65.951   26.125   87.865   17.011 -21.91380 31.17521 
1 1 1   -2   38   17 o   79.059   18.447   93.610   35.753   33.386  191.545   95.784   36.393   71.574   34.677   79.895   18.590 -8.320908 39.34538 
1 1 1   -2   38   18 o   69.207   16.462   69.627   28.036   27.687   60.409   81.141   31.651   55.656   23.973   74.293   17.371 -18.63713 29.60518 
1 1 1   -2   38   19 o  103.108   14.145  146.768   35.461  151.022   66.489  145.077   41.921   93.164   27.009  100.186   17.387 -7.021324 32.12097 
1 1 1   -2   38   20 o   95.971   14.221  127.303   33.049  123.115   63.334  128.870   38.742   84.384   26.770   94.700   17.008 -10.31647 31.71541 
1 1 1   -2   38   21 o   98.471   13.906  133.199   33.243  158.618   61.857  122.877   39.419   98.173   25.127   91.954   17.810 6.218262 30.79819 
1 1 1   -2   38   22 o   71.444   24.536   82.028   52.868   74.832   60.293  105.960  109.960   68.915   25.869   77.361   32.804 -8.445900 41.77705 
1 1 1   -2   38   23 o   73.686   16.125   77.587   28.847 -16.1984   56.851  110.105   33.476   46.440   21.356   88.393   15.743 -41.95297 26.53137 
1 1 1   -2   38   24 o  109.331   12.759  161.206   34.180  218.798   61.292  135.213   41.177  120.581   21.125   96.854   17.676 23.72686 27.54505 
1 1 1   -2   38   25 o   46.232   15.197   28.922   20.300   35.958   48.513   27.428   22.351   55.772   22.530   45.769   15.940 10.00318 27.59857 
1 1 1   -2   38   26 o   37.363   14.020   15.390   17.705   50.869   46.781   9.4589   19.128   60.297   22.755   35.039   14.149 25.25898 26.79550 
1 1 1   -2   38   27 o   83.397   14.166   96.068   28.447   65.925   51.210  109.519   34.210   65.947   24.002   87.965   16.170 -22.01857 28.94016 
1 1 1   -2   38   28 o   86.913   17.526  109.059   36.726   0.0000   0.0000  109.059   36.726  ?   ?    86.913   17.526 0.000000 17.52645 
1 1 1   -2   38   29 o  127.272   12.728  217.663   39.911  240.298   63.963  203.230   51.074  126.744   20.940  119.206   17.694 7.538223 27.41520 
1 1 1   -2   38   30 o   36.488   13.757   14.397   17.088   13.436   39.846   14.613   18.916   46.460   19.727   37.519   14.395 8.940910 24.42024 
1 1 1   -2   38   31 o  126.755   13.264  217.340   41.364  174.810   62.760  250.003   55.000  104.310   24.510  132.957   16.951 -28.64743 29.80027 
1 1 1   -2   38   32 o   46.751   14.785   30.014   19.331   30.726   38.946   29.781   22.268   51.608   20.406   47.038   15.927 4.569916 25.88588 
1 1 1   -2   38   33 f   54.325   14.722   41.721   20.469   42.699   38.198   41.326   24.244   55.833   20.663   53.846   16.485 1.986820 26.43269 
1 1 1   -2   38   34 o   60.668   21.163   54.548   39.404   51.656   40.365  113.087  181.622   59.541   21.359   79.173   37.010 -19.63256 42.73074 
1 1 1   -2   38   35 o  111.436   16.726  177.176   45.106   0.0000   0.0000  177.176   45.106  ?   ?   111.436   16.726 0.000000 16.72558 
1 1 1   -2   39    2 o   42.908   20.337   23.038   58.335   3.4302   80.844   44.337   84.258   42.737   21.080   46.415   22.604 -3.677391 30.90806 
1 1 1   -2   39    3 o   37.407   18.234 -23.9373   55.193   8.5348   77.655 -57.0866   78.461   44.147   21.543   39.043   19.507 5.104225 29.06280 
1 1 1   -2   39    4 o   48.427   21.855   43.417   56.090   34.350   79.740   52.297   78.912   48.148   23.083   50.196   23.751 -2.048584 33.12060 
1 1 1   -2   39    5 o   42.163   19.849   3.4253   53.856 -14.6503   74.431   23.287   78.022   43.599   21.236   48.005   22.967 -4.405643 31.27979 
1 1 1   -2   39    6 o   34.915   15.271   6.9247   25.299   56.597   71.889  -0.0964   27.028   53.339   24.335   33.585   15.162 19.75443 28.67211 
1 1 1   -2   39    7 o   77.570   18.390  101.525   35.080   79.770   75.871  107.441   39.562   58.399   25.954   77.490   20.228 -19.09072 32.90588 
1 1 1   -2   39    8 o   43.505   16.941   26.709   26.493   66.757   69.655   19.935   28.646   57.369   25.209   41.273   17.066 16.09592 30.44232 
1 1 1   -2   39    9 o   46.342   18.126   31.161   30.433   0.0000   0.0000   31.161   30.433  ?   ?    46.342   18.126 0.000000 18.12622 
1 1 1   -2   39   10 o   49.498   17.487   37.997   26.960  -7.4863   67.607   46.598   29.398   46.598   22.029   53.648   18.299 -7.049187 28.63808 
1 1 1   -2   39   11 f   62.774   18.499   64.362   30.966 -74.8073   70.769   97.316   34.437   40.508   19.931   78.208   18.006 -37.69935 26.85955 
1 1 1   -2   39   12 o   31.730   14.043  -0.7252   21.985   78.834   72.943  -8.6747   23.057   63.373   26.787   29.985   13.719 33.38828 30.09539 
1 1 1   -2   39   13 o   49.864   22.809   10.827   63.681   10.827   63.681   0.0000   0.0000   49.864   22.809  ?   ?  0.000000 22.80869 
1 1 1   -2   39   14 o   65.370   16.879   65.503   27.745  115.982   65.408   54.428   30.638   75.641   27.183   58.646   18.620 16.99565 32.94875 
1 1 1   -2   39   15 o   97.444   15.364  138.011   36.148  102.262   72.250  149.948   41.748   71.146   27.901   99.752   17.392 -28.60564 32.87801 
1 1 1   -2   39   16 o   50.355   16.491   37.269   23.912   42.087   61.752   36.419   25.935   56.799   24.347   49.961   17.184 6.837437 29.80042 
1 1 1   -2   39   17 o   99.478   14.437  140.459   34.816  190.649   70.683  124.380   40.006  101.034   27.347   90.276   18.371 10.75737 32.94468 
1 1 1   -2   39   18 o   65.732   16.618   64.573   27.292   21.227   60.820   75.502   30.539   52.795   23.361   70.660   17.419 -17.86518 29.14023 
1 1 1   -2   39   19 o   32.352   13.716   4.3373   19.217  247.051  201.134   2.1014   19.305   83.171   38.900   31.499   13.560 51.67248 41.19608 
1 1 1   -2   39   20 o   66.853   16.216   65.836   26.794   48.130   60.310   70.190   29.908   59.254   24.654   68.307   17.466 -9.052895 30.21329 
1 1 1   -2   39   21 o   24.091   11.029  -8.3078   14.930   42.053   51.992 -12.8338   15.587   56.641   23.159   23.249   10.859 33.39236 25.57820 
1 1 1   -2   39   22 o   52.559   15.980   40.004   22.836   81.740   55.658   31.556   25.040   69.370   25.056   47.937   16.862 21.43290 30.20190 
1 1 1   -2   39   23 o   79.819   15.677   91.604   30.133   79.463   60.095   95.682   34.827   68.618   25.813   80.101   17.866 -11.48355 31.39265 
1 1 1   -2   39   24 o   55.177   22.706   36.481   50.382   45.341   54.865 -11.1863  127.261   58.437   23.829   61.737   29.480 -3.300262 37.90673 
1 1 1   -2   39   25 o   35.187   13.851   11.734   17.869   2.6683   49.477   13.093   19.162   46.634   20.826   36.570   14.360 10.06464 25.29718 
1 1 1   -2   39   26 o   52.569   15.561   39.664   21.869   51.726   51.563   37.018   24.149   60.030   23.561   50.992   16.566 9.037868 28.80251 
1 1 1   -2   39   27 o  107.518   12.591  157.083   33.164  213.179   58.277  130.215   40.332  118.356   20.458   94.124   17.812 24.23261 27.12515 
1 1 1   -2   39   28 f   44.511   15.057   26.742   19.903   18.808   44.855   28.687   22.209   49.059   20.882   46.078   15.899 2.981075 26.24578 
1 1 1   -2   39   29 o   83.662   14.504   98.255   29.204  111.082   53.172   92.714   34.947   81.363   24.306   78.862   18.125 2.501076 30.31976 
1 1 1   -2   39   30 o   40.669   15.225   19.517   20.856 -175.4309  143.788   23.706   21.079   53.587   26.716   43.009   15.434 10.57797 30.85387 
1 1 1   -2   39   31 o   67.638   14.709   65.134   24.136   95.690   45.980   53.512   28.357   76.752   22.520   59.976   17.711 16.77611 28.65020 
1 1 1   -2   39   32 o   48.449   15.066   33.155   20.160   41.558   41.444   30.551   23.074   55.133   21.267   47.182   16.209 7.950962 26.73999 
1 1 1   -2   39   33 o   60.932   15.369   53.767   23.383   35.445   42.995   61.462   27.864   53.228   21.312   64.337   17.064 -11.10842 27.30204 
1 1 1   -2   39   34 o   44.296   15.653   26.076   21.602   0.0000   0.0000   26.076   21.602  ?   ?    44.296   15.653 0.000000 15.65294 
1 1 1   -2   39   35 o   59.582   29.888 -166.5762  192.910   0.0000   0.0000 -166.5762  192.910  ?   ?    59.582   29.888 0.000000 29.88761 
1 1 1   -2   40    5 o   37.280   18.250 -22.0500   57.034  -0.4161   79.549 -44.9339   81.815   42.390   20.909   39.432   19.734 2.957829 28.75142 
1 1 1   -2   40    6 o   36.894   18.059 -29.6665   55.788 -66.5695   77.670   9.6631   80.183   38.251   19.155   44.423   21.724 -6.171944 28.96298 
1 1 1   -2   40    7 o   58.729   24.810   95.490   62.518  130.526   82.116   47.182   96.424   61.052   27.074   49.735   24.212 11.31771 36.32077 
1 1 1   -2   40    8 o   56.872   18.961   60.136   31.561   46.663   77.536   62.812   34.553   50.490   23.784   57.075   19.823 -6.585247 30.96135 
1 1 1   -2   40    9 o   56.129   18.807   56.879   31.047   55.946   75.974   57.066   34.017   52.847   24.439   55.403   19.636 -2.555824 31.35021 
1 1 1   -2   40   10 o   44.327   17.356   29.481   27.924 -144.1033   76.513   56.153   29.992   35.504   17.938   56.663   18.465 -21.15878 25.74312 
1 1 1   -2   40   11 o   54.594   19.756   52.731   34.625   0.0000   0.0000   52.731   34.625  ?   ?    54.594   19.756 0.000000 19.75617 
1 1 1   -2   40   12 o   45.725   21.752  -7.0072   67.932  -7.0072   67.932   0.0000   0.0000   45.725   21.752  ?   ?  0.000000 21.75173 
1 1 1   -2   40   13 o   26.992   12.507 -10.7920   20.036   21.776   63.509 -14.3919   21.115   49.667   22.740   26.816   12.562 22.85079 25.97940 
1 1 1   -2   40   14 o   92.723   16.539  132.265   36.891   73.744   77.057  149.667   42.020   60.511   26.554   97.120   17.988 -36.60898 32.07287 
1 1 1   -2   40   15 o   78.091   26.665  129.010   62.426  152.023   76.438   82.920  108.175   79.834   29.283   62.589   29.021 17.24505 41.22757 
1 1 1   -2   40   16 o   33.061   14.136   5.1877   20.723 -16.8818   62.764   7.8879   21.954   44.850   21.210   34.804   14.702 10.04512 25.80705 
1 1 1   -2   40   17 o   79.225   16.406   95.205   31.389  117.060   69.539   89.613   35.176   73.665   27.756   74.574   18.873 -0.9096222 33.56476 
1 1 1   -2   40   18 o   68.633   25.238   90.280   56.831   92.867   65.817   82.701  112.672   68.126   26.654   64.926   29.933 3.200539 40.08000 
1 1 1   -2   40   19 o   46.370   16.348   30.671   23.549   59.056   61.373   25.770   25.501   59.857   24.884   44.271   16.778 15.58545 30.01198 
1 1 1   -2   40   20 o   69.726   17.226   74.575   29.819   47.223   66.229   81.530   33.395   57.865   25.013   71.985   18.482 -14.12017 31.10021 
1 1 1   -2   40   21 o   47.201   16.848   31.476   25.088  103.244  222.820   30.555   25.249   69.590   34.449   46.754   16.878 22.83621 38.36101 
1 1 1   -2   40   22 o   67.200   16.457   67.877   27.397  114.302   62.054   56.637   30.534   77.099   26.577   60.218   18.511 16.88177 32.38777 
1 1 1   -2   40   23 o   68.942   16.535   71.277   28.100   85.806   62.053   67.529   31.517   68.334   26.106   65.800   18.441 2.533447 31.96260 
1 1 1   -2   40   24 o   48.856   16.160   34.504   22.941 -14.4574   55.675   44.517   25.177   44.544   20.711   54.531   16.816 -9.986481 26.67822 
1 1 1   -2   40   25 o   57.152   16.318   48.751   24.442   52.596   55.841   47.839   27.185   59.129   24.068   56.241   17.495 2.887695 29.75496 
1 1 1   -2   40   26 o   63.042   24.280   65.951   53.953   58.812   58.434  107.212  140.482   61.120   24.714   71.476   33.117 -10.35566 41.32221 
1 1 1   -2   40   27 o  122.649   13.237  208.456   39.898  232.502   69.071  196.414   48.878  116.959   24.437  114.927   17.591 2.031853 30.10944 
1 1 1   -2   40   28 o   96.260   13.822  130.115   32.272  153.303   58.430  119.936   38.713   93.789   24.631   89.045   18.028 4.743744 30.52415 
1 1 1   -2   40   29 o   47.147   15.874   31.483   22.120  -1.2214   48.689   39.989   24.831   44.709   20.253   52.091   16.787 -7.382584 26.30510 
1 1 1   -2   40   30 o   44.906   15.230   28.045   20.362   43.978   45.986   24.160   22.710   55.577   22.111   43.226   15.945 12.35088 27.26066 
1 1 1   -2   40   31 o   37.246   14.522   14.796   19.486  148.813  171.418   13.042   19.613   74.690   35.238   36.429   14.457 38.26115 38.08859 
1 1 1   -2   40   32 o   59.565   17.461   54.134   27.652 -27.9119  171.429   56.326   28.019   62.232   30.696   60.704   17.514 1.527561 35.34093 
1 1 1   -2   40   33 o   75.422   17.636   86.820   32.623   78.016  176.972   87.130   33.192   68.538   33.235   75.348   17.905 -6.809792 37.75144 
1 1 1   -2   40   34 o   74.392   36.089  183.566  209.267   0.0000   0.0000  183.566  209.267  ?   ?    74.392   36.089 0.000000 36.08941 
1 1 1   -2   41    9 o   42.471   17.325   30.069   29.015   11.706   79.882   32.860   31.143   44.183   21.623   43.580   17.883 0.6020889 28.05949 
1 1 1   -2   41   10 o   43.016   17.440   30.071   29.181  126.220   80.620   15.575   31.304   59.721   26.634   38.522   16.914 21.19951 31.55075 
1 1 1   -2   41   11 o   36.493   16.111   9.8441   28.766   33.151   77.885   6.1627   30.954   48.180   23.022   36.212   16.299 11.96804 28.20729 
1 1 1   -2   41   12 o   31.589   14.259  -0.6591   23.890   58.867   74.410  -7.5001   25.225   52.396   24.215   30.434   14.077 21.96210 28.00984 
1 1 1   -2   41   13 o   29.211   13.507  -8.4422   23.195   0.0000   0.0000  -8.4422   23.195  ?   ?    29.211   13.507 0.000000 13.50717 
1 1 1   -2   41   14 o   42.890   16.885   26.618   26.554   38.709   70.798   24.639   28.645   50.989   23.584   42.450   17.254 8.539505 29.22201 
1 1 1   -2   41   15 o   41.352   16.406   22.997   25.254 -10.8783   69.837   28.093   27.087   44.893   21.544   43.884   17.119 1.009422 27.51714 
1 1 1   -2   41   16 o   30.730   13.800  -2.1325   22.043   33.501   67.156  -6.4353   23.336   51.135   23.402   30.238   13.822 20.89651 27.17937 
1 1 1   -2   41   17 f   49.859   22.460   28.964   58.924   5.3274   68.332   97.511  116.365   47.565   22.382   61.217   28.928 -13.65237 36.57581 
1 1 1   -2   41   18 o   59.369   17.361   57.246   27.368   63.599   68.576   56.042   29.848   57.804   25.215   57.986   18.375 -0.1821861 31.20026 
1 1 1   -2   41   19 o   47.075   16.509   33.565   23.994   51.160   64.520   30.741   25.848   55.652   24.362   45.783   16.986 9.868645 29.69965 
1 1 1   -2   41   20 o   64.622   17.500   66.971   28.935   58.558   67.744   68.848   32.002   57.726   25.124   64.448   18.753 -6.721889 31.35125 
1 1 1   -2   41   21 o   46.024   16.254   31.174   23.289   85.216   62.902   22.589   25.070   64.572   25.805   42.118   16.458 22.45322 30.60682 
1 1 1   -2   41   22 o   35.459   14.508   11.388   20.422  -0.6869   63.575   12.777   21.565   47.248   22.023   36.605   14.935 10.64300 26.60902 
1 1 1   -2   41   23 o   24.197   11.236 -10.8326   16.302  111.422  249.337 -11.3575   16.337   65.568   33.034   24.070   11.201 41.49805 34.88099 
1 1 1   -2   41   24 f   40.342   15.239   20.795   20.994   55.594   58.463   15.643   22.494   57.850   24.188   38.384   15.399 19.46681 28.67413 
1 1 1   -2   41   25 o   26.305   11.834  -4.6025   16.295 -40.3861   54.439  -1.0811   17.078   39.323   18.910   28.246   12.445 11.07703 22.63776 
1 1 1   -2   41   26 o   37.212   14.742   14.857   20.360 -65.9663   55.061   27.659   21.914   36.600   17.920   44.297   15.753 -7.697010 23.85988 
1 1 1   -2   41   27 o   60.620   24.270   64.813   55.753   59.271   59.501  104.687  159.597   59.181   24.544   66.648   32.133 -7.467136 40.43428 
1 1 1   -2   41   28 o   39.316   14.996   18.944   20.455   52.655   52.768   12.983   22.190   57.145   23.344   37.180   15.157 19.96524 27.83299 
1 1 1   -2   41   29 o   17.302   8.4516 -20.8617   12.033 -10.8110   46.065 -21.5977   12.465   40.895   18.954   17.597   8.5969 23.29826 20.81234 
1 1 1   -2   41   30 o   37.499   14.501   16.279   19.306   46.113   48.467   10.653   21.047   54.899   22.393   35.609   14.667 19.29016 26.76879 
1 1 1   -2   41   31 o   52.368   16.191   41.744   23.322   17.803   50.009   48.398   26.364   47.836   21.174   55.721   17.212 -7.884827 27.28768 
1 1 1   -2   41   32 o   40.546   15.588   20.453   22.210  133.947  217.250   19.255   22.327   67.195   33.392   40.008   15.560 27.18688 36.83951 
1 1 1   -2   42   14 o   48.870   18.437   44.732   30.707   95.527   82.320   36.522   33.095   54.617   25.322   45.482   18.523 9.134823 31.37329 
1 1 1   -2   42   15 o   47.286   18.510   39.965   31.754   0.0000   0.0000   39.965   31.754  ?   ?    47.286   18.510 0.000000 18.51006 
1 1 1   -2   42   16 o   37.378   15.860   15.054   25.729   76.414   73.337   6.4420   27.475   54.632   24.790   35.179   15.627 19.45231 29.30495 
1 1 1   -2   42   17 o   57.487   18.690   60.098   30.735   83.037   76.477   55.680   33.565   56.358   25.469   54.532   19.486 1.825974 32.06808 
1 1 1   -2   42   18 o   82.126   18.204  114.943   36.352  113.568   77.229  115.335   41.202   62.631   27.041   78.703   20.691 -16.07180 34.04919 
1 1 1   -2   42   19 o   41.217   19.726 -14.9758   57.674  -1.0944   64.378 -71.4024  129.797   44.430   21.147   47.597   23.961 -3.166409 31.95819 
1 1 1   -2   42   20 o   36.305   14.998   13.701   22.092   21.376   67.294   12.774   23.389   48.341   22.574   36.426   15.270 11.91519 27.25334 
1 1 1   -2   42   21 o   48.457   17.121   37.926   25.844  -7.8460   67.567   45.771   27.972   44.826   21.426   52.207   17.849 -7.380493 27.88666 
1 1 1   -2   42   22 o   38.838   15.365   18.920   22.089   22.790   62.944   18.376   23.589   48.655   22.410   39.043   15.732 9.612190 27.38063 
1 1 1   -2   42   23 o   35.242   14.502   12.045   20.551  116.529   62.829  -0.4725   21.747   70.525   26.420   31.098   13.854 39.42720 29.83205 
1 1 1   -2   42   24 o   39.505   15.844   18.888   23.806   80.046  293.521   18.483   23.884   59.464   30.484   39.355   15.840 20.10862 34.35327 
1 1 1   -2   42   25 o   62.623   17.810   64.920   29.175   72.242   70.190   63.390   32.077   58.874   25.599   60.755   19.022 -1.880955 31.89252 
1 1 1   -2   42   26 o   37.628   14.931   16.602   20.919   98.773   60.179   5.3090   22.310   66.845   25.668   33.547   14.509 33.29789 29.48519 
1 1 1   -2   42   27 o   62.179   17.061   62.451   27.291   67.085   61.947   61.335   30.401   58.327   24.671   60.412   18.454 -2.084427 30.80911 
1 1 1   -2   42   28 o   38.673   15.255   18.149   21.718 -15.5988   54.382   24.553   23.689   41.583   19.688   42.235   16.131 -0.6517105 25.45276 
1 1 1   -1  -38    1 o   46.639   20.707   39.085   48.180   65.771   83.550   25.789   58.972   50.879   24.180   44.940   21.033 5.938770 32.04805 
1 1 1   -1  -38    2 o   56.886   26.595  145.025   93.840  145.025   93.840   0.0000   0.0000   56.886   26.595  ?   ?  0.000000 26.59522 
1 1 1   -1  -37    1 o   39.501   18.099   2.7152   40.337   40.636   70.996 -15.3600   49.016   51.326   23.697   38.967   18.519 12.35930 30.07517 
1 1 1   -1  -37    2 o   32.943   15.986 -34.6612   41.138   16.109   74.070 -57.3072   49.469   47.057   22.476   33.366   16.464 13.69069 27.86053 
1 1 1   -1  -37    3 o   65.787   23.791  103.808   50.197  248.866   87.518   32.691   61.279   84.453   31.272   46.837   21.761 37.61509 38.09788 
1 1 1   -1  -36    1 o   77.597   17.132   94.921   32.309  125.372   39.824   36.280   55.264   87.775   18.739   51.714   22.595 36.06088 29.35451 
1 1 1   -1  -36    2 o   30.697   14.905 -40.1636   35.903  -7.5005   67.880 -52.8498   42.304   45.771   21.765   32.021   15.684 13.75048 26.82730 
1 1 1   -1  -36    3 o   40.867   18.444   8.1236   39.960   77.507   74.201 -20.2184   47.424   58.232   25.783   38.028   18.113 20.20451 31.51006 
1 1 1   -1  -36    4 o   45.158   19.653   27.298   41.444  -0.7853   78.991   37.965   48.682   46.338   22.406   48.620   21.226 -2.281975 30.86362 
1 1 1   -1  -36    5 o   68.707   29.740  186.002   93.894  186.002   93.894   0.0000   0.0000   68.707   29.740  ?   ?  0.000000 29.74043 
1 1 1   -1  -35    1 o   32.132   14.468  -4.9728   24.421   10.485   29.855 -36.2315   42.454   39.814   16.994   35.385   16.932 4.428543 23.98960 
1 1 1   -1  -35    2 o   60.226   18.020   57.877   29.210   76.201   36.230   23.842   49.376   67.450   20.043   48.990   21.383 18.46019 29.30799 
1 1 1   -1  -35    3 o  151.631   12.901  325.368   48.386  415.318   61.084  173.867   79.275  168.600   14.654   84.543   29.974 84.05679 33.36445 
1 1 1   -1  -35    4 o   49.620   20.256   36.989   39.694   76.980   75.038   21.450   46.775   60.286   26.335   46.548   20.547 13.73784 33.40267 
1 1 1   -1  -35    5 f   31.545   15.183 -31.4070   35.272 -105.0453   72.967  -8.9536   40.292   37.470   18.735   37.628   17.536 -0.1580048 25.66176 
1 1 1   -1  -35    6 o   40.322   18.217   8.6688   39.094   90.963   80.159 -17.0148   44.781   58.935   26.400   37.258   17.705 21.67679 31.78763 
1 1 1   -1  -34    1 o   82.173   21.726  108.240   45.261  108.240   45.261   0.0000   0.0000   82.173   21.726  ?   ?  0.000000 21.72571 
1 1 1   -1  -34    2 o  106.642   14.028  159.508   36.450  191.774   45.930  104.613   59.908  114.777   16.499   75.524   26.108 39.25303 30.88478 
1 1 1   -1  -34    3 o  141.942   12.336  276.922   43.292  319.600   54.711  205.448   70.803  149.584   14.843  104.924   26.897 44.66071 30.72051 
1 1 1   -1  -34    4 o  109.113   13.931  169.995   37.093  205.172   47.156  112.909   60.072  117.088   16.592   75.344   26.139 41.74395 30.96007 
1 1 1   -1  -34    5 o   33.847   15.851 -17.6581   33.580  -1.5123   71.051 -22.3019   38.105   48.673   22.878   35.162   16.597 13.51035 28.26396 
1 1 1   -1  -34    6 o   50.487   20.162   39.307   38.369   82.483   77.580   25.326   44.147   61.723   26.875   47.186   20.409 14.53753 33.74616 
1 1 1   -1  -34    7 o   47.393   19.718   32.034   38.575  116.479   81.356   7.5430   43.814   66.123   28.134   42.246   19.167 23.87783 34.04254 
1 1 1   -1  -34    8 o   27.973   13.744 -47.4767   33.284   46.954   79.766 -67.3841   36.624   52.739   24.610   27.329   13.602 25.40981 28.11925 
1 1 1   -1  -33    1 o   31.885   14.037  -2.8413   21.689   4.8746   27.457 -15.6445   35.369   38.236   16.308   37.077   16.974 1.158573 23.53879 
1 1 1   -1  -33    2 o   68.566   16.496   67.784   27.901   81.103   35.088   44.881   46.013   73.744   18.951   57.978   22.396 15.76607 29.33829 
1 1 1   -1  -33    3 o   50.361   19.796   30.619   36.452   30.619   36.452   0.0000   0.0000   50.361   19.796  ?   ?  0.000000 19.79632 
1 1 1   -1  -33    4 o   66.127   16.871   65.174   27.950  109.278   36.335   1.2583   43.741   85.638   17.580   43.766   19.561 41.87226 26.29975 
1 1 1   -1  -33    5 o   51.089   17.534   38.395   26.998   63.485   35.260   2.8435   41.972   62.935   19.975   42.932   19.177 20.00251 27.69018 
1 1 1   -1  -33    6 o   64.667   17.596   65.278   29.172   80.482   38.545   44.894   44.630   69.327   20.691   54.587   21.762 14.73996 30.02823 
1 1 1   -1  -33    7 o   42.093   18.209   12.980   35.153   36.831   80.328   7.3300   39.095   55.818   25.564   41.945   18.637 13.87301 31.63582 
1 1 1   -1  -33    8 o   32.351   15.391 -25.5999   34.024   10.535   82.891 -32.9215   37.312   51.449   24.344   32.761   15.729 18.68821 28.98296 
1 1 1   -1  -33    9 o   63.758   23.629   82.640   49.987   0.0000   0.0000   82.640   49.987  ?   ?    63.758   23.629 0.000000 23.62860 
1 1 1   -1  -32    1 o   45.171   16.373   24.115   23.795   1.8469   30.611   58.112   37.823   39.552   17.051   64.181   20.722 -24.62904 26.83525 
1 1 1   -1  -32    2 o   69.896   16.128   68.405   27.577   70.735   35.436   64.825   43.913   69.835   19.547   66.854   22.367 2.980835 29.70492 
1 1 1   -1  -32    3 o   51.398   16.720   36.162   24.596   27.218   31.872   49.333   38.677   48.808   18.695   59.463   20.952 -10.65503 28.07988 
1 1 1   -1  -32    4 o   52.559   19.283   36.313   33.149   36.313   33.149   0.0000   0.0000   52.559   19.283  ?   ?  0.000000 19.28291 
1 1 1   -1  -32    5 o   77.630   15.771   86.118   29.530   49.291   37.962  142.546   46.991   58.148   20.729   97.049   20.053 -38.90105 28.84089 
1 1 1   -1  -32    6 o   52.864   17.403   40.681   26.616   34.846   35.775   47.914   39.833   51.378   19.776   57.007   21.099 -5.629585 28.91820 
1 1 1   -1  -32    7 o   37.130   15.512   9.6130   24.017   17.802   33.380   0.8233   34.583   44.025   18.331   39.462   17.531 4.562572 25.36475 
1 1 1   -1  -32    8 o   88.192   23.570  137.252   52.904   0.0000   0.0000  137.252   52.904  ?   ?    88.192   23.570 0.000000 23.57032 
1 1 1   -1  -32    9 o   77.052   30.783  151.389   89.482  151.389   89.482   0.0000   0.0000   77.052   30.783  ?   ?  0.000000 30.78332 
1 1 1   -1  -32   10 o   33.384   15.472 -11.9789   30.686 -63.5943   82.950  -3.7954   33.029   44.162   21.698   36.439   16.574 7.722702 27.30445 
1 1 1   -1  -32   11 o   72.798   21.688   98.170   42.380  144.661   94.452   86.451   47.422   69.538   29.965   65.912   23.203 3.625793 37.89766 
1 1 1   -1  -31    1 f  176.532   11.424  401.838   50.091  419.459   62.801  371.022   83.049  178.874   14.176  163.831   20.766 15.04318 25.14283 
1 1 1   -1  -31    2 o  175.873   14.540  408.580   63.283  501.857  101.455  349.174   80.965  188.817   21.925  157.914   21.056 30.90317 30.39874 
1 1 1   -1  -31    3 f   57.198   16.594   45.107   25.092   52.045   32.691   35.158   39.144   61.201   19.210   54.984   20.799 6.216843 28.31312 
1 1 1   -1  -31    4 o   56.618   16.663   44.553   25.140   17.667   33.137   81.010   38.588   46.038   18.612   74.590   20.213 -28.55116 27.47695 
1 1 1   -1  -31    5 o  127.102   12.005  213.489   37.651  260.252   49.299  148.031   58.327  138.797   14.435   97.755   24.057 41.04220 28.05499 
1 1 1   -1  -31    6 o  188.659   21.664  530.555  100.213  530.555  100.213   0.0000   0.0000  188.659   21.664  ?   ?  0.000000 21.66428 
1 1 1   -1  -31    7 o   66.823   17.017   65.290   28.473   48.780   40.395   81.593   40.140   58.291   21.301   72.490   20.977 -14.19898 29.89598 
1 1 1   -1  -31    8 o   51.546   19.918   34.734   36.401   34.734   36.401   0.0000   0.0000   51.546   19.918  ?   ?  0.000000 19.91764 
1 1 1   -1  -31    9 o   48.853   17.078   33.985   25.666   50.795   37.253   18.796   35.411   57.338   20.524   45.088   18.836 12.25066 27.85744 
1 1 1   -1  -31   10 o   46.937   18.657   27.879   32.711   97.620   84.494   15.584   35.478   68.539   28.892   43.574   18.560 24.96479 34.34001 
1 1 1   -1  -31   11 o   34.484   15.685  -6.2592   29.579 -28.6087   85.270  -3.2021   31.537   48.791   23.514   36.257   16.373 12.53447 28.65295 
1 1 1   -1  -31   12 o   40.684   17.542   12.723   32.412   48.406   91.709   7.6305   34.648   57.183   26.585   40.034   17.678 17.14891 31.92604 
1 1 1   -1  -30    1 o  273.201   12.977  959.692   88.536  926.836  109.581  1021.46  150.249  265.610   16.605  273.703   22.173 -8.093323 27.70131 
1 1 1   -1  -30    2 o  149.337   11.274  286.735   41.732  312.971   53.118  244.427   67.454  154.934   13.876  133.201   20.973 21.73355 25.14745 
1 1 1   -1  -30    3 o  181.125   11.267  422.068   50.708  482.236   64.662  325.970   81.719  192.416   13.544  152.850   22.047 39.56541 25.87471 
1 1 1   -1  -30    4 o  116.457   16.268  182.619   46.017  132.355   80.677  206.858   56.024   92.333   30.294  122.591   18.909 -30.25857 35.71066 
1 1 1   -1  -30    5 f  171.550   11.453  381.778   48.783  431.931   62.999  306.668   77.095  180.836   14.061  146.825   21.679 34.01059 25.83998 
1 1 1   -1  -30    6 o   58.288   16.630   47.319   25.394   30.424   35.389   65.253   36.461   51.773   19.730   67.367   20.128 -15.59436 28.18530 
1 1 1   -1  -30    7 o  124.361   18.246  218.071   54.979  218.071   54.979   0.0000   0.0000  124.361   18.246  ?   ?  0.000000 18.24627 
1 1 1   -1  -30    8 o   35.257   15.066   3.2195   23.511   32.969   35.433 -20.1822   31.426   51.879   19.749   33.683   15.627 18.19629 25.18386 
1 1 1   -1  -30    9 o   29.418   13.299  -7.8939   20.871 -27.4234   31.798   6.8877   27.664   32.162   15.175   38.687   16.432 -6.524899 22.36715 
1 1 1   -1  -30   10 o   56.768   17.111   47.629   26.266   19.739   37.916   73.363   36.421   46.791   19.514   68.526   20.025 -21.73540 27.96096 
1 1 1   -1  -30   11 o   39.036   16.575   9.2966   28.131   23.191   80.903   7.3855   30.004   56.740   25.859   39.275   16.906 17.46479 30.89525 
1 1 1   -1  -30   12 o   49.784   18.667   35.583   31.377   85.481   84.520   27.607   33.792   66.094   28.412   47.077   18.878 19.01743 34.11201 
1 1 1   -1  -30   13 o   66.737   20.994   76.758   39.021   37.954   96.005   84.437   42.708   57.694   26.949   69.024   21.991 -11.33021 34.78292 
1 1 1   -1  -30   14 o  111.798   18.509  199.771   49.866  309.279  105.926  168.593   56.520  105.093   34.723   95.268   23.821 9.824730 42.10837 
1 1 1   -1  -29    1 o  216.939   13.881  606.826   74.805  538.261  105.306  676.666  106.280  199.959   21.423  226.088   19.001 -26.12938 28.63503 
1 1 1   -1  -29    2 o  235.524   11.715  707.729   68.903  766.552   86.118  603.081  114.864  243.515   14.224  210.821   22.149 32.69351 26.32299 
1 1 1   -1  -29    3 o  125.169   11.389  201.475   35.209  211.862   45.582  186.110   55.440  127.224   14.613  116.998   19.674 10.22602 24.50679 
1 1 1   -1  -29    4 o  127.384   11.866  209.536   37.312  195.275   48.476  230.264   58.443  121.121   16.453  130.721   18.414 -9.600983 24.69358 
1 1 1   -1  -29    5 o  285.248   15.970  1071.73  113.303  1239.05  169.420  936.344  152.398  298.816   22.878  258.454   23.883 40.36203 33.07259 
1 1 1   -1  -29    6 o  146.082   19.196  292.501   68.330   0.0000   0.0000  292.501   68.330  ?   ?   146.082   19.196 0.000000 19.19606 
1 1 1   -1  -29    7 o  214.248   12.167  596.966   64.827  597.472   81.945  596.121  105.980  211.646   15.615  206.405   20.847 5.241501 26.04664 
1 1 1   -1  -29    8 o  137.240   12.365  247.595   41.921  217.179   55.256  288.844   64.347  124.902   18.255  144.279   18.269 -19.37722 25.82600 
1 1 1   -1  -29    9 o   56.369   21.200   40.051   40.533   40.051   40.533   0.0000   0.0000   56.369   21.200  ?   ?  0.000000 21.20047 
1 1 1   -1  -29   10 o   50.234   16.744   34.433   24.612   8.0661   36.254   56.973   33.519   43.610   18.673   62.352   19.432 -18.74158 26.95017 
1 1 1   -1  -29   11 o   64.955   16.717   61.474   27.275   60.176   40.256   62.575   37.085   62.919   21.414   64.103   20.500 -1.183914 29.64442 
1 1 1   -1  -29   12 o   81.495   15.718   95.712   30.829   72.106   44.400  117.688   42.840   66.652   22.490   87.064   20.110 -20.41225 30.16920 
1 1 1   -1  -29   13 o   43.609   17.466   20.934   28.884   77.253   86.197   13.810   30.657   66.247   28.586   41.639   17.470 24.60856 33.50127 
1 1 1   -1  -29   14 o   94.746   18.780  140.341   42.863  261.580  100.051  113.088   47.436  103.696   33.722   80.620   22.634 23.07617 40.61347 
1 1 1   -1  -29   15 o   59.131   20.354   58.756   36.390  108.513  100.206   51.197   39.056   67.291   29.870   55.818   20.846 11.47306 36.42544 
1 1 1   -1  -28    1 o  118.099   11.147  178.496   32.484  173.090   41.652  186.888   51.899  115.215   14.821  118.626   18.092 -3.410477 23.38768 
1 1 1   -1  -28    2 o  120.885   18.297  194.556   53.507  194.556   53.507   0.0000   0.0000  120.885   18.297  ?   ?  0.000000 18.29719 
1 1 1   -1  -28    3 o  294.157   13.260  1108.14   97.405  1089.55  120.697  1142.86  164.946  289.079   16.792  290.918   22.890 -1.838898 28.38866 
1 1 1   -1  -28    4 o   85.108   13.007   94.752   26.766   97.262   35.761   91.554   40.361   84.885   17.454   81.613   19.968 3.271545 26.52044 
1 1 1   -1  -28    5 o  131.723   18.624  232.777   59.553   0.0000   0.0000  232.777   59.553  ?   ?   131.723   18.624 0.000000 18.62402 
1 1 1   -1  -28    6 o  313.985   17.321  1301.23  135.282  1301.23  135.282   0.0000   0.0000  313.985   17.321  ?   ?  0.000000 17.32062 
1 1 1   -1  -28    7 o  231.431   14.813  700.731   85.158  832.194  133.708  611.014  110.457  245.748   22.022  211.056   21.247 34.69170 30.60024 
1 1 1   -1  -28    8 o  128.642   12.046  215.104   38.245  216.831   51.087  212.901   57.688  127.053   16.491  124.394   19.188 2.658577 25.30059 
1 1 1   -1  -28    9 o  236.606   12.235  727.976   72.045  765.012   91.443  667.359  116.987  239.867   15.347  217.361   21.849 22.50575 26.69992 
1 1 1   -1  -28   10 o   30.854   14.535 -27.5286   28.972 -27.5286   28.972   0.0000   0.0000   30.854   14.535  ?   ?  0.000000 14.53521 
1 1 1   -1  -28   11 o   43.029   15.996   21.168   22.945   33.817   35.332   11.944   30.173   52.653   19.795   42.358   17.515 10.29414 26.43181 
1 1 1   -1  -28   12 o   43.279   16.034   22.197   23.013   23.486   36.067   21.312   29.888   48.451   19.477   45.422   17.903 3.028866 26.45535 
1 1 1   -1  -28   13 o   83.942   14.833   99.002   29.956  153.061   44.336   53.593   40.635  102.349   18.004   60.062   21.442 42.28612 27.99861 
1 1 1   -1  -28   14 o  116.928   16.876  198.792   47.851  248.720  100.750  184.249   54.375  106.793   33.751  108.720   20.785 -1.927795 39.63799 
1 1 1   -1  -28   15 o   71.114   19.816   81.059   36.503  134.450   93.858   71.544   39.622   76.870   31.237   65.865   21.203 11.00496 37.75309 
1 1 1   -1  -28   16 o  109.126   18.201  183.473   47.853  265.939  107.766  163.220   53.407   99.994   34.992   98.066   22.311 1.928108 41.49955 
1 1 1   -1  -28   17 o   66.039   20.319   74.415   36.781  138.892  100.853   64.524   39.502   71.710   30.932   60.972   21.194 10.73797 37.49595 
1 1 1   -1  -27    1 f   98.519   11.029  124.404   26.667  124.640   34.566  124.057   41.913   97.684   14.619   96.412   18.073 1.272095 23.24546 
1 1 1   -1  -27    2 o  194.974   11.145  483.448   54.039  464.859   67.688  516.120   89.738  190.037   14.369  198.495   18.310 -8.458588 23.27559 
1 1 1   -1  -27    3 o  128.753   14.361  214.900   45.386  214.900   45.386   0.0000   0.0000  128.753   14.361  ?   ?  0.000000 14.36065 
1 1 1   -1  -27    4 o  200.340   19.454  531.004   96.100   0.0000   0.0000  531.004   96.100  ?   ?   200.340   19.454 0.000000 19.45433 
1 1 1   -1  -27    5 f   95.609   16.461  121.512   37.883  121.512   37.883   0.0000   0.0000   95.609   16.461  ?   ?  0.000000 16.46098 
1 1 1   -1  -27    6 o  143.884   11.279  265.009   40.202  266.344   52.370  263.094   62.730  142.969   14.887  140.629   18.296 2.339691 23.58742 
1 1 1   -1  -27    7 f  270.573   13.106  939.854   88.552  894.793  110.404  1021.13  148.274  261.086   17.027  274.813   21.785 -13.72705 27.64927 
1 1 1   -1  -27    8 o  381.746   19.042  1938.29  181.527  2159.91  264.265  1740.30  249.782  389.987   27.308  347.176   29.079 42.81125 39.89120 
1 1 1   -1  -27    9 o  157.715   11.825  320.927   46.234  319.479   60.837  322.907   71.132  155.374   15.904  154.518   18.824 0.8553925 24.64289 
1 1 1   -1  -27   10 o  113.327   12.970  168.426   36.044   86.183   48.291  271.884   54.162   77.404   23.172  143.032   15.407 -65.62876 27.82679 
1 1 1   -1  -27   11 o  102.690   13.035  139.448   32.674  107.793   45.676  172.626   46.761   86.314   21.317  112.264   17.230 -25.95047 27.40991 
1 1 1   -1  -27   12 f   56.736   21.282   39.676   40.791   39.676   40.791   0.0000   0.0000   56.736   21.282  ?   ?  0.000000 21.28166 
1 1 1   -1  -27   13 o   67.835   16.234   65.049   27.134   47.021   39.942   80.498   36.976   58.781   21.227   73.968   19.675 -15.18723 28.94300 
1 1 1   -1  -27   14 o  132.431   12.207  234.147   39.913  279.725   55.502  185.332   57.439  141.730   15.960  110.506   21.589 31.22356 26.84756 
1 1 1   -1  -27   15 o   64.306   16.946   60.870   27.595   18.661   42.115   92.624   36.529   48.174   20.358   78.328   18.894 -30.15428 27.77411 
1 1 1   -1  -27   16 o   56.310   18.914   47.838   31.403   50.888   91.227   47.428   33.447   63.120   28.228   56.133   19.503 6.987473 34.30949 
1 1 1   -1  -27   17 o   53.719   19.063   43.676   32.071  140.827   98.895   32.257   33.904   76.872   31.742   49.133   19.156 27.73874 37.07420 
1 1 1   -1  -27   18 o   54.011   19.323   45.694   33.017   15.040   99.510   49.486   35.000   56.163   26.603   55.649   19.896 0.5139618 33.22037 
1 1 1   -1  -26    1 o  227.887   14.959  666.849   84.653  574.180  123.738  748.380  116.064  206.672   24.450  239.166   19.606 -32.49443 31.33953 
1 1 1   -1  -26    2 o  374.721   14.863  1796.87  139.079  1823.23  171.302  1745.89  238.231  375.127   18.287  358.965   26.769 16.16208 32.41871 
1 1 1   -1  -26    3 o  267.547   12.649  910.462   84.507  841.838  104.634  1039.20  143.314  255.146   16.511  280.996   20.567 -25.84996 26.37413 
1 1 1   -1  -26    4 o  113.836   11.387  165.905   31.934  125.895   41.148  226.502   50.639   97.259   17.589  131.886   15.683 -34.62743 23.56592 
1 1 1   -1  -26    5 o  138.817   18.175  254.363   61.490  254.363   61.490   0.0000   0.0000  138.817   18.175  ?   ?  0.000000 18.17475 
1 1 1   -1  -26    6 f  341.704   14.097  1496.65  120.285  1544.18  148.996  1407.68  203.828  344.394   17.381  321.197   25.625 23.19650 30.96387 
1 1 1   -1  -26    7 o  162.794   11.141  338.189   45.017  330.014   58.212  350.351   71.004  159.512   14.782  163.101   17.718 -3.589111 23.07462 
1 1 1   -1  -26    8 o  386.725   15.302  1933.24  147.774  2026.91  183.031  1757.86  250.446  392.733   18.663  353.279   28.635 39.45395 34.17990 
1 1 1   -1  -26    9 o  301.548   14.094  1172.21  106.130  1106.84  132.118  1291.15  178.197  289.368   18.379  307.471   23.384 -18.10257 29.74178 
1 1 1   -1  -26   10 o   92.827   16.878  116.090   37.682  160.025   87.842  106.182   41.715  102.801   31.361   87.718   19.544 15.08269 36.95219 
1 1 1   -1  -26   11 o   87.771   14.072  102.234   29.801   51.335   42.143  153.139   42.146   62.981   21.891  106.872   16.309 -43.89109 27.29811 
1 1 1   -1  -26   12 o   60.894   16.517   50.936   25.753   3.6359   37.797   91.922   35.184   44.336   19.028   81.454   17.795 -37.11746 26.05237 
1 1 1   -1  -26   13 o   74.423   21.608   80.373   42.528   80.373   42.528   0.0000   0.0000   74.423   21.608  ?   ?  0.000000 21.60772 
1 1 1   -1  -26   14 o   94.181   14.059  119.770   32.052  132.351   46.782  108.640   44.002   95.551   20.236   86.080   20.720 9.470222 28.96194 
1 1 1   -1  -26   15 o  115.446   13.054  178.782   36.973  195.320   52.733  162.791   51.853  116.753   18.719  105.080   20.497 11.67326 27.75839 
1 1 1   -1  -26   16 o   60.901   17.142   54.009   27.172   79.818   43.335   37.288   34.881   71.409   22.069   53.055   19.723 18.35387 29.59788 
1 1 1   -1  -26   17 o   62.534   19.616   59.965   34.094 -55.2383   97.436   76.038   36.394   52.238   25.165   69.975   19.889 -17.73699 32.07592 
1 1 1   -1  -26   18 o   46.495   17.915   27.306   29.383   45.640  103.474   25.698   30.645   62.982   28.906   46.170   18.150 16.81166 34.13242 
1 1 1   -1  -26   19 o   56.414   19.283   49.896   32.644  153.560  105.891   39.010   34.315   77.568   32.502   51.703   19.494 25.86512 37.90018 
1 1 1   -1  -26   20 o   67.548   30.803  111.525  115.010  111.525  115.010   0.0000   0.0000   67.548   30.803  ?   ?  0.000000 30.80300 
1 1 1   -1  -25    1 o  101.162   11.027  130.786   27.405   93.047   35.104  189.679   43.852   83.635   17.375  121.107   14.809 -37.47153 22.82978 
1 1 1   -1  -25    2 o  369.305   18.253  1761.29  168.335  1888.19  241.538  1641.44  234.732  375.400   25.924  348.758   27.167 26.64175 37.55138 
1 1 1   -1  -25    3 o  232.200   20.214  707.145  116.043   0.0000   0.0000  707.145  116.043  ?   ?   232.200   20.214 0.000000 20.21434 
1 1 1   -1  -25    4 o  318.618   13.441  1292.94  106.945  1336.08  132.060  1210.73  182.291  321.922   16.483  300.760   24.484 21.16110 29.51511 
1 1 1   -1  -25    5 o  234.883   12.039  702.064   70.377  662.023   87.764  774.195  117.793  226.620   15.603  243.028   19.575 -16.40791 25.03325 
1 1 1   -1  -25    6 o  139.614   14.485  251.948   49.766  251.948   49.766   0.0000   0.0000  139.614   14.485  ?   ?  0.000000 14.48516 
1 1 1   -1  -25    7 o  267.790   15.058  923.529  100.289  1015.89  142.821  833.688  140.859  277.164   20.786  249.497   22.863 27.66699 30.89939 
1 1 1   -1  -25    8 o   86.588   13.081   97.717   27.402   68.382   37.676  130.663   39.927   71.094   20.246   99.274   16.699 -28.17940 26.24401 
1 1 1   -1  -25    9 f  196.638   11.968  494.192   58.489  440.026   74.580  580.735   94.270  183.629   16.438  210.195   18.137 -26.56662 24.47794 
1 1 1   -1  -25   10 o  290.913   13.556  1085.91   98.477  1061.12  123.094  1129.97  164.132  284.649   17.401  288.914   22.938 -4.264801 28.79159 
1 1 1   -1  -25   11 o   97.949   17.959  129.484   42.309 -57.0835   88.972  184.001   48.095   56.160   26.135  117.658   16.850 -61.49826 31.09606 
1 1 1   -1  -25   12 f  157.413   11.500  318.461   44.893  332.569   60.224  300.819   67.346  159.156   15.343  149.722   18.400 9.434433 23.95764 
1 1 1   -1  -25   13 o  152.025   11.961  298.902   45.043  307.281   61.087  288.919   66.680  151.933   16.359  145.907   18.734 6.025772 24.87058 
1 1 1   -1  -25   14 o  111.109   12.898  162.283   35.122  139.382   50.383  183.930   48.985   98.939   21.040  116.129   17.430 -17.18932 27.32171 
1 1 1   -1  -25   15 o   43.388   18.861   1.2245   38.089   1.2245   38.089   0.0000   0.0000   43.388   18.861  ?   ?  0.000000 18.86143 
1 1 1   -1  -25   16 o   61.606   16.288   53.453   25.441   48.489   41.633   56.412   32.139   59.883   21.665   62.739   18.931 -2.855228 28.77073 
1 1 1   -1  -25   17 o  151.111   12.095  303.238   45.258  357.563   63.781  248.144   64.231  160.579   16.123  129.735   20.508 30.84348 26.08711 
1 1 1   -1  -25   18 o  118.704   12.988  191.361   37.872  217.598   55.432  168.393   51.863  121.619   18.863  105.373   20.447 16.24574 27.81887 
1 1 1   -1  -25   19 o   57.811   18.772   50.447   31.009   82.931  103.270   47.228   32.509   69.622   30.641   56.232   19.243 13.39041 36.18241 
1 1 1   -1  -25   20 o  120.478   17.179  215.008   50.220  330.705  120.012  190.448   55.294  114.526   36.905  109.194   21.041 5.331741 42.48173 
1 1 1   -1  -25   21 o   54.642   19.114   46.564   32.156  130.353  111.199   38.918   33.591   72.112   31.764   51.360   19.303 20.75240 37.16964 
1 1 1   -1  -24    1 o  265.996   12.024  894.732   79.870  918.460   98.756  849.863  135.802  268.245   14.800  254.917   21.535 13.32800 26.13022 
1 1 1   -1  -24    2 f  200.897   18.777  524.435   93.108   0.0000   0.0000  524.435   93.108  ?   ?   200.897   18.777 0.000000 18.77707 
1 1 1   -1  -24    3 o  189.990   13.372  460.642   63.036  460.642   63.036   0.0000   0.0000  189.990   13.372  ?   ?  0.000000 13.37178 
1 1 1   -1  -24    4 o  142.929   13.697  262.139   48.289  214.413   76.848  293.280   62.076  125.068   25.471  150.269   16.832 -25.20126 30.52989 
1 1 1   -1  -24    5 o  207.005   11.121  543.505   57.279  537.014   71.863  554.810   94.847  204.785   14.139  206.319   18.609 -1.534378 23.37152 
1 1 1   -1  -24    6 o  318.837   13.519  1294.67  107.638  1305.56  133.238  1274.22  182.633  318.062   16.835  309.240   23.834 8.821960 29.17998 
1 1 1   -1  -24    7 o  305.858   13.374  1191.79  102.146  1210.48  126.830  1157.30  172.325  306.166   16.651  294.476   23.633 11.68967 28.91014 
1 1 1   -1  -24    8 o  137.519   18.424  249.395   61.681  249.395   61.681   0.0000   0.0000  137.519   18.424  ?   ?  0.000000 18.42439 
1 1 1   -1  -24    9 o  128.423   10.890  210.394   34.594  224.489   46.592  193.076   51.646  131.673   14.405  120.921   17.621 10.75217 22.75958 
1 1 1   -1  -24   10 o  113.134   11.659  164.295   32.466  159.213   44.727  169.955   47.200  109.760   16.857  113.345   17.218 -3.585251 24.09601 
1 1 1   -1  -24   11 o  310.186   14.057  1234.64  108.886  1189.52  135.762  1316.02  182.305  301.318   18.127  312.036   23.570 -10.71851 29.73427 
1 1 1   -1  -24   12 o  161.421   12.352  334.676   49.411  251.391   64.912  449.420   76.191  136.848   19.551  185.209   16.652 -48.36153 25.68077 
1 1 1   -1  -24   13 o  131.119   11.643  221.146   37.726  246.151   53.092  195.643   53.618  136.760   15.839  120.665   18.374 16.09431 24.25900 
1 1 1   -1  -24   14 o  126.639   12.306  207.769   38.426  197.504   53.824  218.439   54.876  120.820   18.423  127.523   17.711 -6.703491 25.55490 
1 1 1   -1  -24   15 o   44.720   15.820   23.713   22.071   4.8605   38.578   32.885   26.910   45.199   19.306   51.100   17.507 -5.900787 26.06186 
1 1 1   -1  -24   16 o  131.919   21.689  247.814   68.966  247.814   68.966   0.0000   0.0000  131.919   21.689  ?   ?  0.000000 21.68896 
1 1 1   -1  -24   17 o   62.956   16.065   55.333   25.339   70.675   42.093   46.614   31.732   69.613   21.789   58.125   18.995 11.48816 28.90664 
1 1 1   -1  -24   18 o  151.865   12.458  305.807   46.830  298.882   64.882  313.338   67.662  145.460   18.265  148.622   18.641 -3.161865 26.09768 
1 1 1   -1  -24   19 o  179.909   12.556  432.942   56.058  472.902   77.020  387.927   81.746  183.104   17.040  161.455   20.756 21.64883 26.85454 
1 1 1   -1  -24   20 o  167.885   16.916  403.806   69.951  356.459  133.361  421.776   82.160  121.810   38.867  167.452   20.046 -45.64243 43.73195 
1 1 1   -1  -24   21 o   72.953   19.524   83.439   36.269 -10.8100  110.459   94.828   38.397   57.901   27.597   77.726   19.744 -19.82535 33.93297 
1 1 1   -1  -24   22 o  100.198   18.510  154.113   44.608  149.731  119.239  154.826   48.101   76.037   33.207   98.676   20.200 -22.63921 38.86867 
1 1 1   -1  -23    1 o  161.281   17.383  335.879   68.902   0.0000   0.0000  335.879   68.902  ?   ?   161.281   17.383 0.000000 17.38260 
1 1 1   -1  -23    2 o   31.171   13.208   0.7974   17.806   0.7974   17.806   0.0000   0.0000   31.171   13.208  ?   ?  0.000000 13.20814 
1 1 1   -1  -23    3 o  113.226   10.615  163.007   29.662  121.794   38.005  227.231   47.444   96.406   16.372  132.948   14.527 -36.54178 21.88788 
1 1 1   -1  -23    4 o  322.844   13.752  1323.80  110.869  1315.01  136.764  1340.63  189.352  319.831   17.187  318.685   23.969 1.146179 29.49396 
1 1 1   -1  -23    5 o   67.003   15.287   59.505   25.012   71.505   53.545   56.156   28.288   74.674   24.688   64.991   17.172 9.682724 30.07289 
1 1 1   -1  -23    6 o  158.329   10.814  318.069   42.502  280.216   54.198  378.524   68.493  147.475   14.922  171.177   16.217 -23.70152 22.03753 
1 1 1   -1  -23    7 o  268.585   12.987  916.542   87.107  834.184  108.083  1069.17  147.138  254.094   17.134  285.621   20.771 -31.52707 26.92629 
1 1 1   -1  -23    8 o   98.182   11.551  123.699   27.780   96.664   37.555  156.368   41.282   84.959   18.246  109.488   15.535 -24.52940 23.96334 
1 1 1   -1  -23    9 o  230.002   12.213  673.406   69.895  625.959   87.589  756.594  115.978  220.201   16.039  240.383   19.488 -20.18108 25.23964 
1 1 1   -1  -23   10 o  208.434   13.430  556.130   69.532  584.861  100.015  529.253   96.734  211.140   19.178  200.583   19.561 10.55763 27.39418 
1 1 1   -1  -23   11 o  121.419   11.507  188.691   34.475  190.630   47.103  186.455   50.593  120.699   16.024  118.809   17.584 1.890228 23.78941 
1 1 1   -1  -23   12 o  280.769   12.731  1005.35   89.264  1056.52  112.396  917.947  146.897  285.817   15.809  261.594   22.713 24.22305 27.67276 
1 1 1   -1  -23   13 o  264.131   13.082  892.195   86.290  871.442  108.948  927.127  141.346  258.477   16.973  263.143   21.704 -4.666931 27.55251 
1 1 1   -1  -23   14 o  410.288   19.604  2227.27  200.855  2540.61  294.317  1954.14  274.790  425.593   27.847  369.865   30.010 55.72803 40.93952 
1 1 1   -1  -23   15 o   50.971   16.007   33.798   22.694   8.4309   37.425   48.551   28.541   46.090   19.318   60.101   17.774 -14.01086 26.25047 
1 1 1   -1  -23   16 o   98.635   13.867  128.321   33.213   77.822   48.542  172.770   45.541   74.492   23.412  113.555   16.546 -39.06344 28.66919 
1 1 1   -1  -23   17 o  156.622   12.003  318.402   46.589  328.763   64.009  306.730   67.941  156.505   16.633  149.883   18.548 6.621262 24.91355 
1 1 1   -1  -23   18 o  163.931   21.924  384.530   87.500  384.530   87.500   0.0000   0.0000  163.931   21.924  ?   ?  0.000000 21.92377 
1 1 1   -1  -23   19 o   46.892   16.310   28.058   23.396   14.112   43.602   33.698   27.726   48.997   20.710   50.871   17.752 -1.873199 27.27686 
1 1 1   -1  -23   20 o   79.881   15.534   89.462   29.871   92.412   49.420   87.764   37.495   76.627   23.548   76.888   19.500 -0.2609177 30.57395 
1 1 1   -1  -23   21 o   79.086   18.662   93.346   36.262   95.065  106.210   93.119   38.580   74.329   31.898   78.249   19.744 -3.919952 37.51404 
1 1 1   -1  -23   22 o   67.744   18.781   70.316   32.878  160.464  110.288   61.523   34.444   83.362   33.866   63.047   19.707 20.31538 39.18225 
1 1 1   -1  -23   23 o   55.542   18.684   46.853   30.644  154.179  116.532   38.880   31.761   78.638   33.570   51.869   18.898 26.76932 38.52417 
1 1 1   -1  -23   24 f   74.001   20.071   89.611   38.027   4.4600  121.589   98.843   40.036   58.279   28.085   77.538   20.401 -19.25901 34.71276 
1 1 1   -1  -22    1 o  250.392   11.676  789.602   73.010  821.450   90.279  729.403  124.122  254.471   14.264  237.486   21.151 16.98509 25.51158 
1 1 1   -1  -22    2 o  128.985   16.918  215.220   53.179  215.220   53.179   0.0000   0.0000  128.985   16.918  ?   ?  0.000000 16.91816 
1 1 1   -1  -22    3 o  133.243   9.5901  224.326   31.696  252.462   40.764  181.306   50.406  141.009   11.682  117.927   17.660 23.08162 21.17399 
1 1 1   -1  -22    4 o  407.931   16.515  2123.28  168.238  1926.47  206.505  2511.75  290.121  385.138   21.558  435.433   26.812 -50.29501 34.40366 
1 1 1   -1  -22    5 o  364.236   14.901  1687.88  135.539  1666.67  166.889  1728.98  232.304  359.615   18.648  361.127   25.933 -1.512146 31.94140 
1 1 1   -1  -22    6 o  313.050   13.569  1243.91  106.076  1209.83  131.033  1308.70  180.688  306.793   17.172  315.542   23.091 -8.749054 28.77675 
1 1 1   -1  -22    7 o  381.850   20.001  1894.01  190.059  1744.77  272.177  2036.04  265.515  357.135   30.821  389.373   27.483 -32.23776 41.29474 
1 1 1   -1  -22    8 o  255.910   12.352  830.065   78.937  795.126   98.335  893.375  132.368  248.781   15.912  261.435   20.438 -12.65417 25.90168 
1 1 1   -1  -22    9 o  150.018   10.636  285.660   39.586  293.528   51.571  274.375   61.764  151.251   13.806  145.050   17.399 6.201416 22.21087 
1 1 1   -1  -22   10 o  136.584   11.103  237.503   37.543  208.566   49.426  276.967   57.721  126.600   15.991  146.113   16.086 -19.51285 22.68181 
1 1 1   -1  -22   11 o  258.256   21.907  882.750  139.951  882.750  139.951   0.0000   0.0000  258.256   21.907  ?   ?  0.000000 21.90728 
1 1 1   -1  -22   12 o  184.331   11.055  431.830   50.653  448.285   65.803  407.900   79.354  186.766   14.216  176.474   18.272 10.29219 23.15029 
1 1 1   -1  -22   13 o  181.898   11.084  420.941   50.108  456.484   65.793  371.851   77.322  188.398   14.087  168.023   18.748 20.37489 23.45029 
1 1 1   -1  -22   14 o  182.218   11.876  424.045   53.745  390.800   70.368  470.590   83.262  173.116   16.476  189.448   17.809 -16.33218 24.26131 
1 1 1   -1  -22   15 o   84.344   17.197   95.632   34.993   60.799   89.899  101.852   37.989   77.608   30.903   86.825   18.107 -9.217529 35.81713 
1 1 1   -1  -22   16 o  211.407   11.427  571.350   60.100  651.054   79.377  464.277   92.002  224.292   14.246  185.969   20.132 38.32343 24.66280 
1 1 1   -1  -22   17 o  168.120   11.595  363.266   48.381  395.473   65.991  325.838   71.140  173.618   15.380  155.708   18.668 17.91046 24.18773 
1 1 1   -1  -22   18 o   79.314   14.687   84.498   28.018   95.490   44.866   77.471   35.874   81.876   21.623   74.462   19.176 7.414162 28.90140 
1 1 1   -1  -22   19 o  113.960   23.708  190.272   65.271  190.272   65.271   0.0000   0.0000  113.960   23.708  ?   ?  0.000000 23.70811 
1 1 1   -1  -22   20 o  125.779   12.867  209.366   39.846  215.656   58.789  204.020   54.193  123.233   19.772  120.632   18.587 2.600906 27.13676 
1 1 1   -1  -22   21 o  172.647   11.920  393.029   51.074  469.606   71.947  315.238   72.515  185.286   15.697  147.507   20.218 37.77913 25.59660 
1 1 1   -1  -22   22 o   63.904   16.717   59.119   26.982   75.281   49.437   52.262   32.202   69.169   23.728   59.694   19.104 9.474468 30.46317 
1 1 1   -1  -22   23 o  161.194   16.869  372.161   66.896  327.157  132.546  387.543   77.490  115.188   38.858  160.943   19.691 -45.75497 43.56216 
1 1 1   -1  -22   24 o  101.023   18.129  152.808   44.053  174.214  123.123  149.666   47.176   82.723   34.874   98.297   19.902 -15.57406 40.15344 
1 1 1   -1  -22   25 o  144.184   18.323  315.354   64.484  199.068  142.998  345.037   72.246   80.292   35.660  148.486   19.992 -68.19337 40.88208 
1 1 1   -1  -21    1 o  118.533   12.864  178.914   37.465  178.914   37.465   0.0000   0.0000  118.533   12.864  ?   ?  0.000000 12.86376 
1 1 1   -1  -21    2 o  194.246   10.680  475.509   51.604  453.615   64.366  514.903   86.339  189.134   13.722  200.673   17.401 -11.53908 22.16062 
1 1 1   -1  -21    3 o  249.384   20.595  801.715  127.108  801.715  127.108   0.0000   0.0000  249.384   20.595  ?   ?  0.000000 20.59484 
1 1 1   -1  -21    4 o  159.737   10.544  322.347   41.822  286.547   52.819  382.514   68.474  149.809   14.292  172.830   16.049 -23.02133 21.49021 
1 1 1   -1  -21    5 o  433.924   17.004  2401.07  184.253  2309.39  226.323  2581.26  317.296  422.423   21.526  440.445   29.011 -18.02255 36.12500 
1 1 1   -1  -21    6 o  195.189   11.121  481.886   53.984  418.775   67.530  593.617   89.853  180.915   15.085  215.006   16.871 -34.09132 22.63147 
1 1 1   -1  -21    7 o  541.350   20.928  3794.98  282.920  3511.44  346.882  4358.38  488.972  513.944   27.124  561.546   35.045 -47.60260 44.31532 
1 1 1   -1  -21    8 o   95.501   13.907  118.134   32.193  132.461   61.233  112.662   37.845   98.452   24.892   92.439   17.022 6.012932 30.15560 
1 1 1   -1  -21    9 o  266.927   12.271  902.243   81.798  913.905  101.871  881.079  137.235  267.192   15.332  259.350   21.380 7.842163 26.30954 
1 1 1   -1  -21   10 o  155.761   10.454  307.524   40.427  330.431   52.696  274.759   63.024  160.776   13.243  145.123   17.761 15.65259 22.15509 
1 1 1   -1  -21   11 o  101.102   12.160  131.336   30.084   88.935   40.795  181.886   44.543   81.163   20.206  118.328   15.443 -37.16554 25.43157 
1 1 1   -1  -21   12 o  275.689   16.177  978.625  110.884  978.625  110.884   0.0000   0.0000  275.689   16.177  ?   ?  0.000000 16.17723 
1 1 1   -1  -21   13 o  290.292   13.513  1073.75   97.956  1036.28  122.420  1140.45  163.321  282.832   17.418  293.310   22.469 -10.47769 28.42929 
1 1 1   -1  -21   14 o  125.096   12.072  200.504   37.244  154.904   50.495  254.908   55.155  107.520   19.526  139.924   16.077 -32.40414 25.29285 
1 1 1   -1  -21   15 o  253.018   12.415  814.875   78.440  830.753   99.787  789.199  126.897  253.512   15.842  243.936   21.037 9.576019 26.33520 
1 1 1   -1  -21   16 o  257.627   12.399  846.064   79.765  889.533  101.835  777.059  128.308  262.169   15.626  241.195   21.529 20.97449 26.60193 
1 1 1   -1  -21   17 o  235.543   15.147  719.325   88.622  822.196  144.993  657.974  111.972  245.331   23.973  221.913   20.435 23.41843 31.50122 
1 1 1   -1  -21   18 f  145.979   12.113  274.501   43.757  266.007   61.025  283.490   62.777  141.297   17.682  145.979   17.574 -4.681183 24.93002 
1 1 1   -1  -21   19 o  171.724   11.807  380.183   50.325  404.107   69.032  353.048   73.520  174.830   15.989  161.808   18.529 13.02240 24.47395 
1 1 1   -1  -21   20 o   66.961   16.800   61.962   28.046   15.253   45.197   91.208   35.764   50.986   21.289   80.941   18.143 -29.95589 27.97059 
1 1 1   -1  -21   21 o  142.263   12.461  265.632   43.822  298.859   63.796  235.949   60.298  147.503   17.671  129.866   19.170 17.63670 26.07217 
1 1 1   -1  -21   22 o  194.906   13.029  503.602   63.049  476.196   84.733  537.599   94.373  184.010   18.700  194.406   19.712 -10.39612 27.17071 
1 1 1   -1  -21   23 o   64.969   16.420   60.496   26.653  105.126   49.521   42.295   31.624   81.667   23.196   55.087   18.973 26.57931 29.96722 
1 1 1   -1  -21   24 o  126.921   16.882  230.098   52.179  234.430  125.064  229.185   57.415   98.955   37.235  124.630   19.054 -25.67529 41.82709 
1 1 1   -1  -21   25 o  182.740   21.070  516.133   94.387   0.0000   0.0000  516.133   94.387  ?   ?   182.740   21.070 0.000000 21.06973 
1 1 1   -1  -21   26 o   94.349   38.016  271.086  137.743  271.086  137.743   0.0000   0.0000   94.349   38.016  ?   ?  0.000000 38.01591 
1 1 1   -1  -20    1 o  195.038   10.494  478.380   50.922  481.616   63.453  472.526   85.349  195.313   13.085  192.515   17.961 2.797867 22.22207 
1 1 1   -1  -20    2 f  292.131   12.530  1072.83   91.406  1073.05  112.817  1072.42  155.945  291.222   15.570  289.345   21.742 1.877258 26.74152 
1 1 1   -1  -20    3 o  250.278   11.650  787.258   72.808  777.717   90.206  805.092  123.328  247.870   14.638  250.803   19.854 -2.933060 24.66683 
1 1 1   -1  -20    4 o  181.161   10.699  413.737   48.187  390.534   60.391  454.397   79.945  175.406   13.901  188.525   17.170 -13.11879 22.09149 
1 1 1   -1  -20    5 o  264.565   21.321  903.271  139.666  903.271  139.666   0.0000   0.0000  264.565   21.321  ?   ?  0.000000 21.32105 
1 1 1   -1  -20    6 o  367.787   14.392  1712.41  132.185  1772.51  162.953  1596.76  226.039  372.966   17.496  348.859   26.137 24.10730 31.45218 
1 1 1   -1  -20    7 o  557.024   20.625  3995.34  286.894  4071.99  352.236  3844.28  494.500  558.110   25.273  526.878   37.836 31.23108 45.50069 
1 1 1   -1  -20    8 o  163.798   10.048  338.923   40.901  371.772   52.567  288.524   65.112  171.082   12.388  149.158   17.834 21.92345 21.71490 
1 1 1   -1  -20    9 o  404.310   19.141  2104.42  193.259  2296.26  277.852  1924.62  268.984  415.560   26.920  378.800   28.648 36.76044 39.31097 
1 1 1   -1  -20   10 o  154.918   14.106  307.369   53.971  237.700   86.700  351.448   68.962  131.569   27.284  164.847   16.996 -33.27750 32.14457 
1 1 1   -1  -20   11 f  110.337   11.074  155.247   30.101  140.900   40.552  172.852   44.921  103.821   16.168  115.248   16.044 -11.42693 22.77731 
1 1 1   -1  -20   12 o  215.838   11.608  591.021   62.335  582.459   78.883  605.257  101.718  213.174   14.912  215.580   19.092 -2.405960 24.22564 
1 1 1   -1  -20   13 o  230.965   11.337  674.842   65.388  729.523   83.109  585.995  105.938  238.946   13.989  211.359   20.322 27.58708 24.67153 
1 1 1   -1  -20   14 o  127.049   19.281  213.672   59.250  213.672   59.250   0.0000   0.0000  127.049   19.281  ?   ?  0.000000 19.28085 
1 1 1   -1  -20   15 o  221.080   11.769  621.484   64.741  639.606   83.088  593.478  103.290  223.046   15.005  212.628   19.676 10.41786 24.74445 
1 1 1   -1  -20   16 o  257.161   12.157  840.383   78.072  890.607   99.562  760.185  125.810  263.033   15.223  239.540   21.253 23.49239 26.14232 
1 1 1   -1  -20   17 o  130.197   12.566  217.827   40.349  174.449   56.043  264.510   58.138  113.680   20.496  142.151   16.696 -28.47087 26.43539 
1 1 1   -1  -20   18 o  168.600   14.811  368.493   61.724  393.750  114.708  358.200   73.229  166.585   28.605  164.740   18.099 1.844940 33.84985 
1 1 1   -1  -20   19 o   87.158   14.044  100.070   29.528   92.399   46.278  105.338   38.349   81.447   22.163   88.154   18.029 -6.706566 28.56944 
1 1 1   -1  -20   20 o  161.057   12.844  335.842   51.227  270.546   69.576  413.146   75.703  140.684   20.399  176.219   17.432 -35.53542 26.83295 
1 1 1   -1  -20   21 o   41.178   15.388   17.766   21.288   37.331   41.707   10.873   24.756   57.149   21.503   39.804   16.089 17.34576 26.85581 
1 1 1   -1  -20   22 o   63.389   23.831   50.505   51.205   50.505   51.205   0.0000   0.0000   63.389   23.831  ?   ?  0.000000 23.83088 
1 1 1   -1  -20   23 o  110.637   13.074  163.026   35.423  202.451   56.122  136.918   45.670  119.257   19.521   97.749   19.395 21.50777 27.51730 
1 1 1   -1  -20   24 o  140.085   12.849  262.166   44.447  301.122   67.064  231.653   59.354  144.939   18.986  126.601   19.392 18.33808 27.13849 
1 1 1   -1  -20   25 o  118.568   17.396  201.410   49.977  211.624  126.419  199.518   54.409   95.478   37.055  116.241   19.430 -20.76234 41.84016 
1 1 1   -1  -20   26 o   49.713   17.869   33.750   28.266   77.234  119.504   31.173   29.092   70.650   31.891   48.675   18.028 21.97422 36.63391 
1 1 1   -1  -20   27 o   65.881   19.090   67.630   33.225  153.152  124.980   61.126   34.465   78.793   34.209   62.432   19.741 16.36130 39.49648 
1 1 1   -1  -20   28 o  129.088   17.668  251.249   55.460  323.958  145.693  238.927   59.975   97.425   39.153  122.694   20.284 -25.26891 44.09514 
1 1 1   -1  -19    1 o  550.071   20.320  3826.02  279.115  3855.80  342.319  3766.93  482.108  550.476   24.902  537.500   36.128 12.97577 43.87906 
1 1 1   -1  -19    2 o  285.302   14.206  1023.30  101.213  1211.19  147.060  854.207  139.511  308.961   19.155  258.602   21.807 50.35852 29.02538 
1 1 1   -1  -19    3 o  287.315   12.353  1036.67   88.629  1024.35  109.413  1060.19  151.146  284.734   15.446  288.227   21.147 -3.492310 26.18735 
1 1 1   -1  -19    4 f  234.163   11.530  688.498   67.422  657.221   83.581  746.765  114.079  227.910   14.765  241.989   19.032 -14.07901 24.08763 
1 1 1   -1  -19    5 o  233.749   11.016  686.180   64.304  700.745   80.035  659.656  108.005  235.464   13.670  227.081   19.227 8.382965 23.59124 
1 1 1   -1  -19    6 o  241.428   20.268  748.814  121.064  748.814  121.064   0.0000   0.0000  241.428   20.268  ?   ?  0.000000 20.26813 
1 1 1   -1  -19    7 o  264.236   11.672  879.005   77.019  927.057   95.825  791.316  129.448  270.460   14.238  247.574   21.141 22.88603 25.48857 
1 1 1   -1  -19    8 o   71.918   12.036   66.929   20.852   54.369   28.636   81.106   30.424   64.262   17.412   78.539   16.054 -14.27640 23.68364 
1 1 1   -1  -19    9 o  195.616   10.163  482.721   49.473  534.500   62.956  399.112   80.000  205.385   12.332  175.664   18.516 29.72159 22.24673 
1 1 1   -1  -19   10 f  124.238   10.666  195.869   32.771  182.706   43.181  213.750   50.326  119.047   14.848  128.594   16.019 -9.546989 21.84201 
1 1 1   -1  -19   11 o  177.190   12.368  398.975   54.380  576.183   92.617  305.740   67.180  211.327   17.714  153.460   17.865 57.86691 25.15806 
1 1 1   -1  -19   12 o  269.793   12.613  921.845   84.976  920.616  106.421  924.006  141.154  268.032   15.972  265.832   21.446 2.200470 26.74026 
1 1 1   -1  -19   13 o  143.543   11.689  262.244   41.536  213.226   54.678  329.131   63.870  127.731   17.610  159.615   16.251 -31.88430 23.96270 
1 1 1   -1  -19   14 o  405.192   15.997  2101.68  161.860  2123.96  200.297  2059.74  274.784  404.677   19.821  390.147   28.399 14.53030 34.63176 
1 1 1   -1  -19   15 o  318.565   24.945  1354.73  196.855  1354.73  196.855   0.0000   0.0000  318.565   24.945  ?   ?  0.000000 24.94481 
1 1 1   -1  -19   16 f  257.685   12.406  842.886   79.832  863.517  102.061  810.366  128.136  259.039   15.854  248.231   20.865 10.80731 26.20460 
1 1 1   -1  -19   17 o  114.225   12.185  167.454   34.220  168.554   49.869  166.476   47.042  112.749   18.343  112.381   17.319 0.3683319 25.22715 
1 1 1   -1  -19   18 o  124.457   12.136  198.655   37.238  208.699   53.748  189.382   51.641  125.847   17.583  119.697   17.820 6.150116 25.03449 
1 1 1   -1  -19   19 o  123.509   12.139  195.985   36.955  218.703   55.021  177.314   49.880  128.664   17.585  115.540   17.864 13.12344 25.06714 
1 1 1   -1  -19   20 o  195.178   11.900  487.541   57.723  523.042   78.129  444.873   85.653  200.390   15.740  182.980   19.023 17.41093 24.69058 
1 1 1   -1  -19   21 o   72.533   15.819   71.009   27.845   30.408   46.280   94.046   34.860   56.835   22.317   83.230   17.336 -26.39511 28.25916 
1 1 1   -1  -19   22 o   91.991   13.996  112.181   31.137  115.294   50.298  110.247   39.648   89.776   22.485   89.452   18.364 0.3240738 29.03107 
1 1 1   -1  -19   23 o  195.324   22.684  542.522  108.582  542.522  108.582   0.0000   0.0000  195.324   22.684  ?   ?  0.000000 22.68382 
1 1 1   -1  -19   24 o  118.855   18.273  197.252   52.497   0.0000   0.0000  197.252   52.497  ?   ?   118.855   18.273 0.000000 18.27264 
1 1 1   -1  -19   25 o   46.185   20.489  -1.4212   47.080  -1.4212   47.080   0.0000   0.0000   46.185   20.489  ?   ?  0.000000 20.48912 
1 1 1   -1  -19   26 o   84.186   15.767  100.005   31.928  101.923   56.532   99.106   38.689   78.650   25.327   81.577   19.295 -2.926643 31.83958 
1 1 1   -1  -19   27 o  217.445   16.389  668.519   88.336  856.596  164.045  591.711  104.833  216.741   31.209  196.160   21.768 20.58093 38.05069 
1 1 1   -1  -19   28 o   72.778   19.454   82.362   36.036   42.509  127.700   85.810   37.562   65.888   30.874   73.987   19.898 -8.098778 36.73027 
1 1 1   -1  -19   29 o  187.685   16.849  518.060   78.126  731.483  164.968  456.354   88.704  175.217   38.733  168.441   21.585 6.776123 44.34120 
1 1 1   -1  -18    1 o  404.865   15.020  2057.83  151.860  2168.80  186.721  1841.00  260.999  415.144   18.011  379.509   27.732 35.63486 33.06775 
1 1 1   -1  -18    2 o  210.065   10.087  552.471   52.911  601.340   66.024  464.749   88.460  218.693   12.137  191.137   18.775 27.55614 22.35705 
1 1 1   -1  -18    3 o   89.522   12.109  102.308   26.376  184.982   49.587   69.688   31.147  120.041   17.018   72.937   17.353 47.10429 24.30541 
1 1 1   -1  -18    4 o   84.117   10.851   90.147   22.262   71.262   29.410  115.489   34.068   73.793   16.387   94.704   14.898 -20.91136 22.14626 
1 1 1   -1  -18    5 o  378.814   14.896  1806.65  140.915  1831.87  173.429  1757.65  241.734  380.664   18.244  369.538   26.369 11.12582 32.06505 
1 1 1   -1  -18    6 f   82.684   10.704   87.190   21.583   88.239   29.295   85.943   31.918   82.469   14.767   81.093   16.327 1.375656 22.01447 
1 1 1   -1  -18    7 o   93.015   11.471  110.327   26.080   66.693   34.484  168.635   39.863   71.227   19.027  114.807   14.208 -43.57973 23.74608 
1 1 1   -1  -18    8 o  154.257   17.474  305.762   66.124  305.762   66.124   0.0000   0.0000  154.257   17.474  ?   ?  0.000000 17.47409 
1 1 1   -1  -18    9 o  211.504   10.800  564.041   56.853  587.135   71.571  524.549   93.592  215.250   13.381  201.947   18.774 13.30255 23.05463 
1 1 1   -1  -18   10 o   99.058   10.593  124.844   25.797  127.330   35.281  121.988   37.816   99.223   14.682   96.720   16.232 2.502769 21.88723 
1 1 1   -1  -18   11 o   49.073   13.201   31.498   16.530   38.437   25.560   26.509   21.673   54.887   16.946   46.961   15.713 7.926014 23.11047 
1 1 1   -1  -18   12 o  158.906   14.174  322.833   55.654  252.039   90.114  366.485   70.762  135.853   27.506  168.547   17.047 -32.69386 32.36012 
1 1 1   -1  -18   13 o   95.157   11.545  115.971   26.871  109.764   37.956  122.208   38.047   91.184   17.302   96.582   16.359 -5.397499 23.81148 
1 1 1   -1  -18   14 o  197.697   10.863  494.657   53.423  530.361   68.817  440.506   84.752  203.968   13.589  184.080   18.697 19.88857 23.11303 
1 1 1   -1  -18   15 o  319.881   13.281  1299.00  106.089  1368.15  132.485  1175.41  177.116  326.961   16.226  297.972   24.007 28.98947 28.97607 
1 1 1   -1  -18   16 o  236.965   12.768  714.374   75.274  670.735   95.542  785.794  122.228  228.004   16.901  245.275   20.133 -17.27138 26.28653 
1 1 1   -1  -18   17 o  205.753   13.389  540.555   68.418  584.884   99.684  501.076   94.074  211.720   19.059  195.644   19.516 16.07587 27.27812 
1 1 1   -1  -18   18 o   89.488   12.397  103.501   26.959  147.587   42.769   74.435   34.727  105.936   16.722   74.379   18.713 31.55699 25.09578 
1 1 1   -1  -18   19 o  240.013   12.406  734.112   74.100  756.553   95.916  700.893  116.700  242.081   15.956  230.537   20.485 11.54422 25.96559 
1 1 1   -1  -18   20 o  166.863   11.881  355.615   49.182  358.749   67.563  352.082   71.732  165.893   16.529  163.776   17.827 2.116959 24.31090 
1 1 1   -1  -18   21 o  213.222   15.232  589.292   80.572  679.978  142.844  546.977   97.575  221.465   26.346  203.042   19.484 18.42322 32.76757 
1 1 1   -1  -18   22 o  141.018   12.460  256.568   43.425  272.725   64.219  242.957   58.944  142.807   18.439  134.918   17.940 7.889221 25.72604 
1 1 1   -1  -18   23 o  166.914   12.879  361.327   53.267  336.677   75.470  385.796   75.193  157.313   19.639  169.573   18.034 -12.25996 26.66292 
1 1 1   -1  -18   24 o  182.391   12.688  433.268   57.430  493.986   81.505  373.396   80.935  191.580   17.221  164.229   20.158 27.35118 26.51221 
1 1 1   -1  -18   25 o  193.623   12.830  492.202   61.682  511.333   85.259  471.192   89.347  193.027   17.891  183.410   19.823 9.616455 26.70295 
1 1 1   -1  -18   26 o  217.191   12.747  623.882   68.833  671.914   93.296  566.502  101.971  220.650   17.065  197.876   20.955 22.77435 27.02461 
1 1 1   -1  -18   27 o  203.656   13.180  556.055   66.670  571.703   91.933  538.697   96.830  199.885   18.633  191.400   20.583 8.485199 27.76352 
1 1 1   -1  -18   28 o  113.283   16.980  183.753   46.554  279.312  132.659  170.332   49.716  106.915   38.673  107.077   19.303 -0.1618729 43.22306 
1 1 1   -1  -18   29 o  210.077   17.605  641.344   91.502  658.494  169.184  634.253  108.786  167.192   40.866  201.318   21.997 -34.12619 46.41049 
1 1 1   -1  -18   30 o   88.825   19.308  122.743   41.605   99.610  137.608  125.071   43.648   70.391   32.672   88.902   20.129 -18.51079 38.37481 
1 1 1   -1  -17    1 o  495.919   18.499  3091.81  229.086  3012.97  280.878  3248.46  395.928  488.643   23.018  504.110   31.611 -15.46719 39.10404 
1 1 1   -1  -17    2 o  300.642   12.548  1132.38   94.206  1174.06  116.150  1052.24  161.048  305.883   15.206  287.867   22.585 18.01602 27.22659 
1 1 1   -1  -17    3 o   84.853   10.051   91.368   20.883   90.089   27.685   93.056   31.808   83.679   13.725   84.769   15.601 -1.090118 20.77901 
1 1 1   -1  -17    4 o  235.044   11.417  692.154   67.010  691.294   83.376  693.722  112.619  234.238   14.323  233.767   19.469 0.4710846 24.16992 
1 1 1   -1  -17    5 o  358.922   14.116  1617.97  126.519  1628.74  155.864  1597.17  216.626  359.576   17.358  353.670   24.683 5.905914 30.17525 
1 1 1   -1  -17    6 o  212.861   9.8457  567.570   52.335  641.376   65.988  442.432   85.924  225.823   11.742  186.246   18.729 39.57756 22.10522 
1 1 1   -1  -17    7 o  271.656   12.380  926.820   83.984  900.485  104.023  976.123  142.333  266.854   15.679  276.596   20.758 -9.742340 26.01404 
1 1 1   -1  -17    8 o  193.114   10.573  469.291   50.791  468.082   64.059  471.337   83.350  192.408   13.416  192.233   17.557 0.1743011 22.09621 
1 1 1   -1  -17    9 f  206.533   18.969  546.519   96.737  546.519   96.737   0.0000   0.0000  206.533   18.969  ?   ?  0.000000 18.96859 
1 1 1   -1  -17   10 o  239.181   11.347  719.576   67.776  738.350   84.838  686.457  112.680  241.394   14.136  231.124   19.712 10.26990 24.25626 
1 1 1   -1  -17   11 o  159.089   10.825  319.849   42.751  297.481   54.917  354.255   68.108  152.638   14.585  166.171   16.637 -13.53325 22.12473 
1 1 1   -1  -17   12 o  270.451   12.491  923.493   84.359  916.858  105.072  935.527  141.505  268.164   15.760  268.644   21.267 -0.4802856 26.46997 
1 1 1   -1  -17   13 o  101.233   10.758  130.520   26.779  142.207   37.264  118.037   38.510  104.896   14.623   94.856   16.876 10.04039 22.33060 
1 1 1   -1  -17   14 o  328.923   15.424  1377.40  126.692  1693.08  187.646  1112.96  171.747  361.244   20.890  290.965   23.847 70.27930 31.70298 
1 1 1   -1  -17   15 o  430.821   17.380  2378.52  186.982  2307.09  230.394  2516.34  320.039  420.556   22.015  431.646   29.875 -11.09055 37.10982 
1 1 1   -1  -17   16 o  134.299   11.202  229.305   37.224  230.825   50.718  227.529   54.805  133.677   15.480  132.264   16.986 1.413193 22.98116 
1 1 1   -1  -17   17 o  318.632   14.445  1292.85  114.934  1219.79  143.182  1425.22  192.722  306.932   18.771  328.499   23.652 -21.56619 30.19530 
1 1 1   -1  -17   18 f  220.783   20.723  639.500  112.916  639.500  112.916   0.0000   0.0000  220.783   20.723  ?   ?  0.000000 20.72303 
1 1 1   -1  -17   19 o  204.131   12.281  530.385   62.313  500.067   81.298  573.562   97.019  196.596   16.718  209.739   18.720 -13.14294 25.09900 
1 1 1   -1  -17   20 o  175.626   11.262  392.161   49.133  449.064   67.618  328.510   71.515  186.881   14.605  158.253   18.442 28.62793 23.52519 
1 1 1   -1  -17   21 o   95.500   13.259  118.391   30.768  121.072   48.816  116.624   39.631   94.194   21.258   93.501   17.620 0.6928177 27.61098 
1 1 1   -1  -17   22 o   62.463   17.554   52.260   28.517   21.214  105.520   54.706   29.619   73.929   31.762   63.840   17.872 10.08900 36.44493 
1 1 1   -1  -17   23 o  249.237   21.399  837.087  131.897   0.0000   0.0000  837.087  131.897  ?   ?   249.237   21.399 0.000000 21.39946 
1 1 1   -1  -17   24 o  131.385   19.925  235.822   63.320  235.822   63.320   0.0000   0.0000  131.385   19.925  ?   ?  0.000000 19.92462 
1 1 1   -1  -17   25 o   43.794   15.838   21.971   22.248   17.526   47.660   23.209   25.157   52.724   21.924   45.587   16.787 7.136868 27.61323 
1 1 1   -1  -17   26 o   46.698   21.074 -13.4469   52.146 -13.4469   52.146   0.0000   0.0000   46.698   21.074  ?   ?  0.000000 21.07386 
1 1 1   -1  -17   27 f  119.042   13.131  188.930   38.385  264.048   64.058  146.846   47.947  136.313   19.363  100.883   19.739 35.42924 27.65069 
1 1 1   -1  -17   28 o  152.904   13.313  313.920   50.325  320.819   75.232  308.333   67.702  147.351   21.043  146.518   18.948 0.8331146 28.31662 
1 1 1   -1  -17   29 o   43.315   16.677   20.912   25.448   29.629  122.826   20.521   26.013   67.156   31.063   43.355   16.814 23.80086 35.32153 
1 1 1   -1  -17   30 o  156.486   16.318  348.424   62.829  511.430  148.317  312.775   69.360  150.227   39.142  144.294   19.769 5.933044 43.85109 
1 1 1   -1  -17   31 o  115.673   17.905  199.527   50.049  228.797  145.413  195.593   53.306   86.964   37.322  112.709   19.654 -25.74507 42.18056 
1 1 1   -1  -17   32 o   50.630   25.331 -138.5943  134.356 -138.5943  134.356   0.0000   0.0000   50.630   25.331  ?   ?  0.000000 25.33104 
1 1 1   -1  -16    1 o  380.220   26.452  1835.82  249.590  1835.82  249.590   0.0000   0.0000  380.220   26.452  ?   ?  0.000000 26.45170 
1 1 1   -1  -16    2 o  313.946   13.651  1234.88  107.025  1132.58  131.476  1435.83  184.263  299.806   17.639  336.903   22.023 -37.09647 28.21617 
1 1 1   -1  -16    3 o  175.244   10.245  385.545   44.640  377.696   55.806  399.490   74.385  173.154   13.001  177.572   16.982 -4.418442 21.38724 
1 1 1   -1  -16    4 o  108.767   9.5428  149.128   25.657  166.016   33.547  125.327   39.824  114.525   11.904   98.543   16.785 15.98164 20.57792 
1 1 1   -1  -16    5 o  116.818   10.026  172.041   28.963  162.982   37.583  185.290   45.450  113.207   13.564  120.511   15.459 -7.303879 20.56632 
1 1 1   -1  -16    6 o  178.726   12.577  402.466   55.776  446.619   86.186  370.647   73.164  187.364   18.669  170.747   17.402 16.61693 25.52203 
1 1 1   -1  -16    7 o  303.026   12.705  1152.10   96.144  1178.83  118.856  1101.51  163.528  305.752   15.619  293.973   22.445 11.77838 27.34504 
1 1 1   -1  -16    8 o  382.550   15.808  1843.04  151.017  1699.93  185.616  2123.26  259.733  365.813   20.400  407.001   25.687 -41.18790 32.80248 
1 1 1   -1  -16    9 o  241.826   11.846  734.253   71.534  716.144   89.059  767.176  120.085  237.954   15.065  245.216   19.779 -7.261459 24.86297 
1 1 1   -1  -16   10 o  222.274   11.275  622.057   62.380  606.047   78.158  650.150  103.536  218.814   14.384  225.686   18.535 -6.871994 23.46130 
1 1 1   -1  -16   11 f  147.712   11.742  276.121   42.955  303.851   62.364  251.092   59.251  154.053   16.466  139.673   17.362 14.37907 23.92868 
1 1 1   -1  -16   12 o  261.959   12.371  864.778   80.925  849.665  100.847  892.109  135.617  258.482   15.698  263.106   20.811 -4.623535 26.06767 
1 1 1   -1  -16   13 o  414.931   16.058  2187.34  166.390  2227.46  205.120  2110.15  284.531  416.908   19.702  399.190   28.735 17.71796 34.84091 
1 1 1   -1  -16   14 f  150.020   11.255  285.199   41.856  255.243   54.599  327.897   65.184  140.847   15.795  159.622   16.596 -18.77574 22.91091 
1 1 1   -1  -16   15 o  295.697   16.058  1117.13  118.131  1175.65  175.041  1068.18  160.084  299.502   23.595  285.969   22.601 13.53278 32.67321 
1 1 1   -1  -16   16 o  279.535   13.084  989.683   91.330  953.061  114.156  1054.81  152.232  272.562   16.855  284.412   21.595 -11.84967 27.39417 
1 1 1   -1  -16   17 o  186.330   10.544  439.108   48.859  494.183   64.278  363.741   75.194  197.030   13.139  167.321   18.294 29.70914 22.52387 
1 1 1   -1  -16   18 o  268.502   13.017  914.197   87.281  898.117  110.138  941.345  143.105  264.305   16.774  268.147   21.553 -3.842407 27.31143 
1 1 1   -1  -16   19 o  302.666   24.208  1214.68  181.437  1214.68  181.437   0.0000   0.0000  302.666   24.208  ?   ?  0.000000 24.20817 
1 1 1   -1  -16   20 o  243.512   11.721  750.752   71.273  832.045   92.601  632.594  111.640  254.998   14.603  219.551   20.604 35.44760 25.25377 
1 1 1   -1  -16   21 o  234.728   11.588  697.988   67.921  782.541   89.418  582.659  104.431  247.116   14.554  210.612   20.100 36.50380 24.81620 
1 1 1   -1  -16   22 o   51.862   15.904   34.746   22.556   17.545   42.722   41.394   26.560   52.036   21.100   56.404   17.252 -4.367565 27.25467 
1 1 1   -1  -16   23 o  218.143   12.260  607.774   66.512  661.744   89.788  542.145   99.012  225.898   16.021  202.345   19.851 23.55223 25.50895 
1 1 1   -1  -16   24 o   63.126   15.980   53.648   25.214   79.037   51.513   45.649   28.915   76.097   24.143   58.758   18.005 17.33839 30.11714 
1 1 1   -1  -16   25 o  128.931   12.509  215.360   39.768  245.963   61.648  193.550   52.044  134.986   18.799  119.920   17.930 15.06689 25.97814 
1 1 1   -1  -16   26 o  184.485   12.687  442.006   58.093  440.321   80.984  443.792   83.380  180.535   18.212  180.861   18.733 -0.3261566 26.12667 
1 1 1   -1  -16   27 o   63.597   25.030   46.329   58.342   46.329   58.342   0.0000   0.0000   63.597   25.030  ?   ?  0.000000 25.03019 
1 1 1   -1  -16   28 o  109.348   14.222  161.112   37.917  167.862   64.608  157.566   46.830  104.140   25.132  105.630   18.424 -1.489540 31.16132 
1 1 1   -1  -16   29 o   87.653   15.914  107.445   33.551  128.216   63.647   99.453   39.482   88.167   26.650   82.141   19.533 6.025513 33.04189 
1 1 1   -1  -16   30 o   59.448   17.694   51.463   28.218   8.7735   61.429   62.880   31.768   52.585   23.363   65.134   18.606 -12.54911 29.86618 
1 1 1   -1  -16   31 o   68.418   19.045   71.115   33.735  -0.5110  131.124   76.192   34.910   63.815   30.317   70.700   19.254 -6.884712 35.91429 
1 1 1   -1  -16   32 o   49.500   17.916   34.065   28.477  -2.1588  137.481   35.688   29.108   62.245   29.963   50.355   18.130 11.88996 35.02080 
1 1 1   -1  -16   33 o   83.018   19.422  109.568   39.548  150.993  152.141  106.567   40.956   73.118   34.076   80.971   20.295 -7.853302 39.66189 
1 1 1   -1  -15    1 o  513.395   18.677  3309.77  239.444  3283.21  293.592  3362.54  413.790  510.577   23.027  513.573   32.431 -2.995514 39.77458 
1 1 1   -1  -15    2 o  165.219   16.954  346.021   68.958  346.021   68.958   0.0000   0.0000  165.219   16.954  ?   ?  0.000000 16.95418 
1 1 1   -1  -15    3 o  430.327   16.169  2322.68  173.755  2385.35  213.334  2199.17  299.475  435.630   19.611  415.674   29.033 19.95639 35.03567 
1 1 1   -1  -15    4 o  498.374   18.697  3121.04  232.696  3064.79  285.343  3232.73  402.055  493.022   23.177  503.123   32.169 -10.10092 39.64862 
1 1 1   -1  -15    5 o  239.048   11.121  715.222   66.385  733.372   82.361  681.562  112.160  241.525   13.712  231.967   19.545 9.558853 23.87495 
1 1 1   -1  -15    6 o  529.409   19.201  3527.10  253.846  3644.29  311.616  3295.94  437.658  537.158   23.231  506.142   34.839 31.01553 41.87394 
1 1 1   -1  -15    7 o  199.943   11.510  502.384   57.225  705.646   89.188  360.147   74.608  236.598   15.175  168.240   18.040 68.35889 23.57393 
1 1 1   -1  -15    8 o  115.601   10.465  168.718   29.883  149.685   39.166  195.237   46.230  108.165   14.895  123.729   15.288 -15.56371 21.34426 
1 1 1   -1  -15    9 o  206.596   10.972  536.443   56.404  538.731   70.806  532.472   93.305  206.644   13.801  204.604   18.461 2.040665 23.04898 
1 1 1   -1  -15   10 o  350.391   14.130  1544.16  123.634  1583.81  152.630  1468.50  210.835  354.229   17.255  338.181   25.146 16.04803 30.49619 
1 1 1   -1  -15   11 o  420.107   14.586  2223.59  153.015  2479.23  189.046  1737.95  260.562  442.857   17.094  365.689   28.765 77.16852 33.46136 
1 1 1   -1  -15   12 o  208.314   19.160  556.070   98.554  556.070   98.554   0.0000   0.0000  208.314   19.160  ?   ?  0.000000 19.16015 
1 1 1   -1  -15   13 o  109.341   10.608  151.618   28.600  145.045   38.570  159.648   42.625  106.099   14.974  111.228   15.789 -5.129227 21.76050 
1 1 1   -1  -15   14 o   78.022   12.280   78.555   23.136   64.705   33.150   91.707   32.304   69.980   18.637   83.665   16.046 -13.68512 24.59240 
1 1 1   -1  -15   15 o  144.469   10.283  263.856   36.857  284.677   48.957  236.618   55.995  149.499   13.251  135.297   16.945 14.20262 21.51111 
1 1 1   -1  -15   16 o  217.839   11.495  600.104   62.309  607.606   79.309  588.005  100.716  218.351   14.630  213.269   19.114 5.082703 24.07018 
1 1 1   -1  -15   17 o  190.454   12.350  460.353   58.418  697.698  100.278  338.421   71.874  232.955   17.363  161.564   18.127 71.39113 25.10098 
1 1 1   -1  -15   18 o  317.475   13.143  1277.04  104.200  1351.28  130.434  1146.09  173.235  325.412   16.051  295.153   23.704 30.25888 28.62699 
1 1 1   -1  -15   19 o  170.690   11.846  370.029   50.180  331.628   66.117  422.198   77.064  160.167   16.780  180.735   17.286 -20.56828 24.09065 
1 1 1   -1  -15   20 o  221.130   11.922  620.354   65.590  637.803   84.975  594.635  103.165  223.083   15.347  213.659   19.552 9.423981 24.85622 
1 1 1   -1  -15   21 o  134.192   20.934  239.314   67.861  239.314   67.861   0.0000   0.0000  134.192   20.934  ?   ?  0.000000 20.93404 
1 1 1   -1  -15   22 o  239.619   20.468  753.148  121.300   0.0000   0.0000  753.148  121.300  ?   ?   239.619   20.468 0.000000 20.46810 
1 1 1   -1  -15   23 o  146.060   18.481  280.552   65.898  280.552   65.898   0.0000   0.0000  146.060   18.481  ?   ?  0.000000 18.48055 
1 1 1   -1  -15   24 o  109.055   13.379  153.996   35.671  125.626   55.300  174.211   46.681   95.240   23.416  115.007   16.746 -19.76644 28.78768 
1 1 1   -1  -15   25 o  170.994   14.956  379.795   63.218  468.377  128.970  351.779   72.530  180.780   29.593  163.058   18.119 17.72154 34.69899 
1 1 1   -1  -15   26 o  251.154   12.735  812.354   79.607  882.308  105.505  719.881  121.303  259.225   16.383  230.157   21.349 29.06787 26.91020 
1 1 1   -1  -15   27 o   56.967   16.447   43.993   24.702   73.779   51.344   35.022   28.177   72.757   24.181   52.551   17.915 20.20645 30.09449 
1 1 1   -1  -15   28 o  211.074   12.787  581.910   67.080  636.239   93.118  523.302   96.717  216.828   17.343  193.837   20.281 22.99133 26.68502 
1 1 1   -1  -15   29 o  121.249   13.589  196.170   40.436  232.190   67.662  176.159   50.433  125.732   22.370  111.730   18.739 14.00256 29.18165 
1 1 1   -1  -15   30 o  113.625   14.075  174.933   39.082  230.014   68.817  148.710   47.483  122.978   23.261  101.143   19.507 21.83514 30.35735 
1 1 1   -1  -15   31 o   96.768   15.626  131.026   36.473  171.393   72.359  117.276   42.230   99.742   27.938   88.810   19.570 10.93200 34.10996 
1 1 1   -1  -15   32 o   65.950   18.898   65.604   32.722   48.552  134.549   66.677   33.735   69.471   32.266   66.319   19.242 3.151985 37.56768 
1 1 1   -1  -15   33 o   84.503   19.423  110.132   40.127   34.338  140.712  116.842   41.865   66.057   31.389   86.831   19.753 -20.77415 37.08723 
1 1 1   -1  -15   34 o   95.266   18.640  140.164   42.755  143.538  151.128  139.871   44.576   73.067   34.022   94.214   19.586 -21.14676 39.25730 
1 1 1   -1  -14    1 o  658.189   23.357  5456.52  383.896  5496.58  470.448  5376.66  664.154  659.177   28.580  646.164   41.377 13.01257 50.28807 
1 1 1   -1  -14    2 o  614.318   21.467  4746.90  329.315  4964.24  403.866  4315.68  568.875  627.205   25.786  579.433   39.552 47.77191 47.21476 
1 1 1   -1  -14    3 o  222.831   10.632  621.113   59.161  646.898   73.084  572.099  100.762  226.943   12.950  212.570   19.189 14.37286 23.14978 
1 1 1   -1  -14    4 o  194.408   17.944  478.399   86.129  478.399   86.129   0.0000   0.0000  194.408   17.944  ?   ?  0.000000 17.94378 
1 1 1   -1  -14    5 o  306.325   12.859  1174.97   98.362  1174.28  121.076  1176.31  168.687  305.593   15.921  304.831   22.315 0.7619019 27.41253 
1 1 1   -1  -14    6 f  163.301   9.8148  334.751   39.838  355.594   50.223  299.383   65.424  168.107   12.044  153.456   17.379 14.65096 21.14421 
1 1 1   -1  -14    7 o  147.141   9.9269  272.081   36.262  261.241   46.172  289.528   58.578  143.824   12.996  151.097   15.757 -7.272171 20.42484 
1 1 1   -1  -14    8 o  260.931   11.379  852.538   74.144  900.450   92.115  764.386  124.947  267.628   13.830  245.442   20.576 22.18565 24.79178 
1 1 1   -1  -14    9 o  289.511   14.215  1051.88  102.768  1260.09  150.999  872.221  140.265  315.633   19.250  261.893   21.641 53.73914 28.96367 
1 1 1   -1  -14   10 o  546.885   19.840  3777.37  270.953  3891.77  332.769  3552.32  466.733  553.619   24.070  522.476   35.992 31.14288 43.29923 
1 1 1   -1  -14   11 o   94.503   11.219  113.544   25.960   87.196   35.258  144.739   38.364   81.576   17.808  106.261   14.864 -24.68466 23.19622 
1 1 1   -1  -14   12 o  127.319   10.432  204.617   32.876  202.048   43.546  208.022   50.136  125.947   14.087  127.439   16.114 -1.492332 21.40349 
1 1 1   -1  -14   13 o  119.004   17.717  183.146   51.044  183.146   51.044   0.0000   0.0000  119.004   17.717  ?   ?  0.000000 17.71659 
1 1 1   -1  -14   14 o  213.925   10.836  576.486   57.700  616.539   73.315  511.308   93.525  220.755   13.362  199.572   18.995 21.18277 23.22449 
1 1 1   -1  -14   15 o  266.848   11.636  896.531   77.540  956.284   97.323  792.682  128.303  274.678   14.238  247.824   20.928 26.85417 25.31177 
1 1 1   -1  -14   16 o  169.913   9.9534  364.139   42.049  421.980   55.375  285.364   64.622  182.510   12.221  148.592   17.768 33.91696 21.56471 
1 1 1   -1  -14   17 o  176.095   10.526  391.711   46.075  421.423   60.310  350.060   71.405  182.050   13.360  164.684   17.637 17.36583 22.12593 
1 1 1   -1  -14   18 o  202.340   12.874  519.854   64.710  719.508  108.448  409.462   80.640  236.217   18.533  177.859   18.423 58.35843 26.13243 
1 1 1   -1  -14   19 o  229.794   11.407  666.430   65.459  700.897   84.131  613.555  104.202  234.490   14.438  217.533   19.386 16.95744 24.17118 
1 1 1   -1  -14   20 o  247.074   12.098  771.858   74.643  794.270   95.461  736.597  119.738  249.221   15.414  237.886   20.352 11.33447 25.53084 
1 1 1   -1  -14   21 o   52.091   15.198   35.272   20.993   25.358   37.646   39.745   25.290   52.820   20.297   55.476   16.806 -2.655445 26.35168 
1 1 1   -1  -14   22 o   41.057   18.546 -19.4874   40.499 -19.4874   40.499   0.0000   0.0000   41.057   18.546  ?   ?  0.000000 18.54600 
1 1 1   -1  -14   23 o  127.807   12.401  208.996   39.081  195.875   57.124  220.542   53.584  121.580   19.472  130.031   16.902 -8.450821 25.78449 
1 1 1   -1  -14   24 o  180.507   11.295  414.112   50.658  499.364   71.073  326.076   72.223  197.193   14.536  157.600   18.717 39.59254 23.69862 
1 1 1   -1  -14   25 o  285.548   13.168  1040.06   93.893  1102.78  121.263  946.160  148.373  291.728   16.715  266.220   22.530 25.50772 28.05334 
1 1 1   -1  -14   26 o  229.631   15.297  683.455   87.217  860.570  156.816  604.130  104.946  250.082   25.466  213.116   19.952 36.96599 32.35100 
1 1 1   -1  -14   27 o  186.601   12.253  447.942   56.780  497.910   80.491  398.447   80.109  194.363   16.747  172.485   18.909 21.87813 25.25877 
1 1 1   -1  -14   28 o  233.010   12.883  703.652   74.670  754.312  101.121  642.905  110.731  237.997   17.129  216.542   20.731 21.45415 26.89182 
1 1 1   -1  -14   29 o   74.086   15.536   75.105   27.824  166.471   57.982   47.770   31.715  107.310   22.363   59.195   18.961 48.11518 29.31885 
1 1 1   -1  -14   30 o  305.336   29.906  1488.36  225.100  1488.36  225.100   0.0000   0.0000  305.336   29.906  ?   ?  0.000000 29.90606 
1 1 1   -1  -14   31 o  133.633   13.400  239.248   44.113  306.019   75.215  204.237   54.464  144.154   21.556  119.554   18.869 24.59951 28.64792 
1 1 1   -1  -14   32 o   24.804   11.507 -12.7959   17.041   90.999   61.447 -21.4439   17.737   74.681   26.399   23.110   11.027 51.57137 28.60916 
1 1 1   -1  -14   33 o   78.119   18.342   90.674   35.169  196.675  168.763   85.862   35.958   87.087   38.706   75.502   19.067 11.58494 43.14763 
1 1 1   -1  -14   34 o  132.772   16.261  252.923   52.789  607.715  159.609  209.346   55.937  161.336   39.851  117.182   19.822 44.15384 44.50871 
1 1 1   -1  -14   35 o   76.212   18.975   91.325   35.974   78.911  148.672   92.097   37.075   67.578   32.157   76.143   19.433 -8.564919 37.57267 
1 1 1   -1  -13    1 o  166.404   10.497  347.750   43.395  309.892   53.475  420.754   74.259  156.688   13.808  182.420   16.479 -25.73227 21.49947 
1 1 1   -1  -13    2 o  207.624   10.870  540.749   56.160  475.675   69.093  667.457   96.412  194.334   14.339  230.059   16.900 -35.72523 22.16338 
1 1 1   -1  -13    3 o  244.764   11.307  749.559   69.114  737.140   85.077  773.659  118.518  242.180   14.129  247.442   19.334 -5.261139 23.94662 
1 1 1   -1  -13    4 o  142.773   8.8743  255.815   31.483  267.514   39.473  235.362   52.193  145.828   10.919  136.147   15.635 9.681519 19.07035 
1 1 1   -1  -13    5 o  124.487   16.098  197.503   48.871  197.503   48.871   0.0000   0.0000  124.487   16.098  ?   ?  0.000000 16.09773 
1 1 1   -1  -13    6 o  368.894   14.248  1704.86  131.254  1770.69  161.403  1576.31  225.534  375.660   17.205  352.454   25.804 23.20538 31.01412 
1 1 1   -1  -13    7 o  487.596   18.227  2985.75  221.935  2986.65  272.305  2983.95  383.022  486.955   22.393  483.587   31.897 3.368225 38.97243 
1 1 1   -1  -13    8 o  444.915   16.892  2484.80  187.675  2504.53  230.481  2445.96  323.310  446.085   20.690  438.028   29.733 8.056396 36.22388 
1 1 1   -1  -13    9 o  511.595   18.437  3290.91  235.544  3472.73  289.371  2933.90  405.489  524.742   22.083  477.860   34.207 46.88120 40.71545 
1 1 1   -1  -13   10 o  554.948   24.792  3900.93  343.569  4103.53  488.556  3702.71  483.246  564.287   34.841  535.166   36.376 29.12067 50.36991 
1 1 1   -1  -13   11 f  480.618   17.585  2908.58  211.054  3052.83  259.527  2626.90  362.669  491.472   21.146  451.180   32.405 40.29251 38.69431 
1 1 1   -1  -13   12 o  512.141   18.686  3311.48  238.973  3455.73  293.749  3029.17  410.941  521.866   22.541  482.459   34.333 39.40741 41.07113 
1 1 1   -1  -13   13 o  406.317   15.154  2079.12  153.758  2199.90  189.723  1847.97  262.463  417.160   18.212  378.246   27.986 38.91412 33.38999 
1 1 1   -1  -13   14 o  173.581   10.567  379.442   45.586  373.558   58.422  388.602   72.889  171.717   13.739  174.524   16.938 -2.807037 21.80951 
1 1 1   -1  -13   15 o  198.242   18.893  504.011   92.395  504.011   92.395   0.0000   0.0000  198.242   18.893  ?   ?  0.000000 18.89254 
1 1 1   -1  -13   16 o  189.387   10.087  451.798   47.531  513.136   61.511  360.890   74.884  201.459   12.286  167.445   18.202 34.01364 21.96018 
1 1 1   -1  -13   17 o  120.669   10.918  184.706   32.544  173.089   44.127  198.560   48.191  115.805   15.661  124.106   15.916 -8.301445 22.32906 
1 1 1   -1  -13   18 o  162.721   10.480  334.554   42.360  356.918   56.097  304.882   64.614  167.453   13.531  153.768   17.118 13.68513 21.81961 
1 1 1   -1  -13   19 o  297.502   14.615  1123.12  108.575  1415.11  165.252  901.329  144.024  331.043   20.085  262.976   22.137 68.06671 29.89099 
1 1 1   -1  -13   20 o  139.593   11.318  247.375   39.114  235.230   53.506  261.315   57.323  134.934   16.203  142.245   16.441 -7.310669 23.08334 
1 1 1   -1  -13   21 o  262.100   21.307  895.600  138.252   0.0000   0.0000  895.600  138.252  ?   ?   262.100   21.307 0.000000 21.30739 
1 1 1   -1  -13   22 f  173.158   13.994  383.159   59.995  383.159   59.995   0.0000   0.0000  173.158   13.994  ?   ?  0.000000 13.99426 
1 1 1   -1  -13   23 o  259.418   22.632  885.861  145.142  885.861  145.142   0.0000   0.0000  259.418   22.632  ?   ?  0.000000 22.63153 
1 1 1   -1  -13   24 o   93.691   13.014  113.455   29.626  143.166   48.842   96.162   37.263  103.585   19.600   84.873   18.132 18.71209 26.70085 
1 1 1   -1  -13   25 o   86.816   13.900   98.307   29.118  114.675   50.202   90.009   35.744   91.700   22.168   81.996   17.954 9.703979 28.52659 
1 1 1   -1  -13   26 o  111.650   12.792  160.681   35.021  197.517   57.565  139.036   44.127  121.634   19.619  102.207   17.944 19.42708 26.58738 
1 1 1   -1  -13   27 o   55.280   16.183   40.399   23.766   67.916   53.187   33.534   26.566   72.279   24.614   51.939   17.397 20.33971 30.14105 
1 1 1   -1  -13   28 f  301.579   13.275  1170.13   99.974  1297.22  130.244  987.851  155.979  314.521   16.642  268.011   23.544 46.50916 28.83217 
1 1 1   -1  -13   29 o  225.846   12.965  661.171   72.811  699.094   99.234  616.946  107.162  228.866   17.496  212.461   20.451 16.40488 26.91343 
1 1 1   -1  -13   30 o  244.887   12.634  780.907   76.995  900.020  105.508  645.212  112.614  259.389   16.373  214.610   21.294 44.77859 26.86095 
1 1 1   -1  -13   31 f   59.738   25.640   23.058   68.640   23.058   68.640   0.0000   0.0000   59.738   25.640  ?   ?  0.000000 25.63987 
1 1 1   -1  -13   32 o   66.041   16.039   61.509   26.187  121.583   58.130   46.213   29.333   87.514   25.220   57.300   18.222 30.21363 31.11422 
1 1 1   -1  -13   33 o   99.366   15.181  136.762   36.473  126.497   67.999  140.908   43.216   86.063   27.784   98.888   18.170 -12.82507 33.19800 
1 1 1   -1  -13   34 o  130.787   16.192  241.104   51.752  474.240  158.133  213.139   54.768  140.212   41.922  120.610   18.797 19.60235 45.94351 
1 1 1   -1  -13   35 o   49.583   17.717   33.984   27.749   55.211  174.621   33.434   28.106   70.512   33.898   49.373   17.810 21.13874 38.29208 
1 1 1   -1  -13   36 o   89.453   18.567  123.226   40.117  309.826  160.365  110.769   41.435   92.749   39.482   83.187   20.158 9.562958 44.33044 
1 1 1   -1  -12    1 o  269.036   11.923  906.195   80.105  836.709   98.275  1043.76  138.276  257.836   15.332  287.457   19.376 -29.62082 24.70850 
1 1 1   -1  -12    2 o  137.542   11.867  238.547   40.360  209.336   58.764  264.631   55.529  127.704   19.006  144.432   15.646 -16.72771 24.61793 
1 1 1   -1  -12    3 o  827.612   28.926  8672.76  597.823  8910.41  732.659  8199.32  1034.11  836.137   35.089  790.567   52.683 45.57007 63.29913 
1 1 1   -1  -12    4 f  497.260   18.368  3104.22  228.089  3144.75  279.674  3023.72  394.150  499.833   22.407  486.900   32.605 12.93326 39.56208 
1 1 1   -1  -12    5 o  220.230   10.665  606.674   58.651  606.000   72.413  607.961  100.002  219.602   13.267  219.309   18.431 0.2920990 22.70926 
1 1 1   -1  -12    6 o  511.339   18.149  3281.65  231.751  3520.78  284.541  2810.43  399.434  529.083   21.536  468.897   34.352 60.18552 40.54455 
1 1 1   -1  -12    7 o  217.426   18.860  598.027  101.385  598.027  101.385   0.0000   0.0000  217.426   18.860  ?   ?  0.000000 18.85978 
1 1 1   -1  -12    8 o  602.605   21.900  4570.53  329.551  4673.51  404.160  4366.21  569.268  608.200   26.611  582.597   39.360 25.60352 47.51128 
1 1 1   -1  -12    9 f  166.003   10.300  346.048   42.486  340.192   53.510  356.035   69.883  164.288   13.153  167.594   16.930 -3.305893 21.43928 
1 1 1   -1  -12   10 o  241.619   11.411  730.786   68.848  742.426   85.573  709.423  115.929  242.960   14.166  236.648   19.799 6.311951 24.34498 
1 1 1   -1  -12   11 o  654.310   22.902  5407.77  374.207  5746.85  459.374  4738.95  645.164  672.867   27.339  602.369   43.176 70.49744 51.10425 
1 1 1   -1  -12   12 o  188.138   13.990  446.609   65.257  382.615   99.383  495.113   86.523  172.256   23.734  197.554   17.727 -25.29807 29.62373 
1 1 1   -1  -12   13 o  470.183   17.166  2785.01  201.553  2955.07  248.070  2454.71  345.729  483.397   20.550  435.599   32.007 47.79776 38.03676 
1 1 1   -1  -12   14 o  152.757   10.282  293.767   38.993  297.406   50.649  288.472   61.099  153.273   13.367  150.382   16.544 2.891098 21.26873 
1 1 1   -1  -12   15 o   96.298   11.271  117.973   26.592   93.480   36.550  145.518   38.761   84.401   17.897  106.434   14.999 -22.03302 23.35105 
1 1 1   -1  -12   16 o   78.692   19.574   81.845   38.307   81.845   38.307   0.0000   0.0000   78.692   19.574  ?   ?  0.000000 19.57448 
1 1 1   -1  -12   17 o  113.451   10.553  163.106   29.555  166.913   40.321  158.687   43.449  114.055   14.483  110.794   16.181 3.261124 21.71632 
1 1 1   -1  -12   18 o   96.421   10.390  118.213   24.623  156.635   36.157   84.986   33.624  110.595   13.363   80.250   17.289 30.34489 21.85124 
1 1 1   -1  -12   19 o  137.266   10.828  238.622   36.815  235.222   49.755  242.735   54.730  135.416   14.964  137.258   16.285 -1.842133 22.11586 
1 1 1   -1  -12   20 o   83.671   12.204   90.171   24.749   96.892   38.113   85.270   32.544   85.462   18.403   80.375   16.757 5.087090 24.88911 
1 1 1   -1  -12   21 o   56.332   16.084   41.430   23.746   71.584   78.343   38.379   24.919   80.104   29.602   54.710   16.706 25.39452 33.99051 
1 1 1   -1  -12   22 o   93.530   12.569  112.536   28.613  102.563   43.697  120.022   37.859   87.487   20.380   95.729   16.429 -8.241608 26.17710 
1 1 1   -1  -12   23 f  158.111   11.389  317.180   44.667  328.120   61.909  305.302   64.509  159.704   15.728  153.581   17.111 6.123306 23.24100 
1 1 1   -1  -12   24 o  215.763   11.762  590.225   63.132  646.103   84.256  518.691   95.331  224.693   15.104  199.615   19.368 25.07787 24.56123 
1 1 1   -1  -12   25 o  179.035   21.263  422.717   93.205  422.717   93.205   0.0000   0.0000  179.035   21.263  ?   ?  0.000000 21.26296 
1 1 1   -1  -12   26 o  115.894   12.759  172.531   36.313  185.087   57.371  164.139   46.905  117.774   20.236  111.693   17.382 6.080605 26.67666 
1 1 1   -1  -12   27 o   23.537   10.874 -11.9505   14.986 -33.7387   45.775  -9.3349   15.860   41.020   18.970   25.310   11.502 15.71084 22.18460 
1 1 1   -1  -12   28 o   86.794   15.198   99.680   31.739   51.371   57.078  121.304   38.188   67.417   25.197   95.493   16.618 -28.07650 30.18308 
1 1 1   -1  -12   29 o  105.354   16.059  147.515   40.914  154.946  120.597  146.548   43.494  101.587   36.854  104.531   17.265 -2.943863 40.69737 
1 1 1   -1  -12   30 o  135.455   12.901  238.916   43.112  249.112   67.275  231.811   56.158  134.228   20.739  131.169   17.588 3.059402 27.19258 
1 1 1   -1  -12   31 o  121.202   13.636  194.058   40.553  161.401   64.520  215.386   52.140  103.948   25.132  125.936   17.015 -21.98880 30.35057 
1 1 1   -1  -12   32 o   60.763   24.937   36.348   60.569   36.348   60.569   0.0000   0.0000   60.763   24.937  ?   ?  0.000000 24.93724 
1 1 1   -1  -12   33 o   81.356   15.679   92.050   30.698  107.575   62.558   87.126   35.231   81.786   26.668   77.706   18.434 4.079758 32.41927 
1 1 1   -1  -12   34 o   56.950   16.825   46.202   25.586   37.481   62.545   47.954   28.040   59.773   25.008   57.861   17.731 1.912403 30.65545 
1 1 1   -1  -12   35 o  138.357   13.706  260.912   46.733  335.577   81.967  224.952   56.884  146.741   23.135  123.854   18.998 22.88660 29.93603 
1 1 1   -1  -12   36 o   83.182   18.714  104.732   37.933  106.925  165.854  104.611   38.966   74.598   35.028   82.726   19.228 -8.127747 39.95862 
1 1 1   -1  -12   37 o   39.660   16.028   15.372   24.566 -52.0721  171.417   16.786   24.823   60.697   30.076   40.363   16.182 20.33383 34.15318 
1 1 1   -1  -11    1 o  395.524   15.373  1964.56  151.835  1994.22  186.163  1905.61  262.413  397.945   18.734  386.230   27.385 11.71582 33.17962 
1 1 1   -1  -11    2 o  269.599   11.654  910.201   78.456  888.690   96.330  952.588  135.218  265.781   14.569  274.337   19.873 -8.556366 24.64113 
1 1 1   -1  -11    3 o  550.802   24.005  3830.04  330.180  4288.63  468.417  3377.16  465.487  579.347   32.509  512.294   36.628 67.05365 48.97376 
1 1 1   -1  -11    4 o  483.079   18.225  2930.77  219.851  2903.80  269.449  2984.48  380.264  480.127   22.473  483.687   31.657 -3.559906 38.82312 
1 1 1   -1  -11    5 o  292.062   11.794  1067.50   86.017  1118.47  105.853  968.402  147.592  298.801   14.186  276.622   21.536 22.17950 25.78844 
1 1 1   -1  -11    6 o  200.026   10.555  501.836   52.536  480.838   64.873  541.846   89.549  195.512   13.368  207.092   17.479 -11.58026 22.00505 
1 1 1   -1  -11    7 o  400.688   15.054  2011.71  150.625  2132.86  185.083  1774.10  259.199  412.267   17.978  373.662   27.981 38.60507 33.25890 
1 1 1   -1  -11    8 o  836.768   53.554  9168.18  1113.17  9168.18  1113.17   0.0000   0.0000  836.768   53.554  ?   ?  0.000000 53.55396 
1 1 1   -1  -11    9 o  392.953   15.119  1935.14  148.359  2000.51  182.398  1807.33  255.033  399.192   18.297  377.243   27.256 21.94928 32.82780 
1 1 1   -1  -11   10 o  216.373   11.463  587.512   61.718  548.042   76.706  659.977  103.935  208.591   14.823  228.520   18.368 -19.92838 23.60308 
1 1 1   -1  -11   11 o  653.117   22.402  5376.29  365.371  5848.17  448.639  4446.90  629.618  679.935   26.423  585.073   43.403 94.86163 50.81350 
1 1 1   -1  -11   12 o  312.927   13.310  1227.26  104.009  1225.38  128.469  1230.84  177.194  311.936   16.552  311.418   22.947 0.5182190 28.29340 
1 1 1   -1  -11   13 o  320.911   17.631  1299.59  140.745  1153.01  202.706  1436.04  195.572  299.932   27.365  336.064   23.451 -36.13162 36.03920 
1 1 1   -1  -11   14 o  617.070   21.566  4818.94  332.320  5144.73  408.235  4178.95  572.168  635.795   25.712  563.629   40.931 72.16571 48.33712 
1 1 1   -1  -11   15 o  291.036   11.970  1062.83   86.995  1154.98  108.551  897.360  145.453  303.066   14.343  264.956   22.188 38.10956 26.42016 
1 1 1   -1  -11   16 o  404.472   15.702  2063.34  158.597  2112.73  195.607  1968.58  270.953  408.277   19.186  389.929   28.013 18.34778 33.95340 
1 1 1   -1  -11   17 o  301.883   23.243  1174.00  173.871  1174.00  173.871   0.0000   0.0000  301.883   23.243  ?   ?  0.000000 23.24297 
1 1 1   -1  -11   18 o  209.702   11.567  554.831   60.338  533.917   76.657  588.888   97.824  204.951   15.084  214.389   18.452 -9.437683 23.83283 
1 1 1   -1  -11   19 o  114.207   10.382  165.284   29.287  195.313   41.335  135.014   41.501  123.631   13.615  101.789   16.921 21.84148 21.71805 
1 1 1   -1  -11   20 o  163.206   17.206  342.796   69.068   0.0000   0.0000  342.796   69.068  ?   ?   163.206   17.206 0.000000 17.20613 
1 1 1   -1  -11   21 f  238.053   14.299  720.533   84.606  720.533   84.606   0.0000   0.0000  238.053   14.299  ?   ?  0.000000 14.29872 
1 1 1   -1  -11   22 o  276.805   14.438  974.458   99.452  1234.06  155.283  793.917  129.496  308.975   20.237  247.135   21.188 61.84000 29.30000 
1 1 1   -1  -11   23 o  295.479   12.633  1104.01   93.213  1185.48  118.197  970.003  151.596  304.815   15.580  272.465   22.481 32.35019 27.35231 
1 1 1   -1  -11   24 o  287.623   12.829  1047.15   92.143  1095.13  117.375  970.083  148.749  292.575   16.128  272.468   22.051 20.10684 27.31919 
1 1 1   -1  -11   25 o  363.076   14.619  1677.10  132.542  1746.70  166.742  1557.64  218.448  368.707   18.110  342.507   25.728 26.20010 31.46289 
1 1 1   -1  -11   26 o  104.566   24.293  149.390   62.224  149.390   62.224   0.0000   0.0000  104.566   24.293  ?   ?  0.000000 24.29327 
1 1 1   -1  -11   27 o  119.201   12.874  182.451   37.712  178.261   60.132  185.167   48.417  115.042   21.728  118.991   16.759 -3.949326 27.43974 
1 1 1   -1  -11   28 o   65.902   15.625   57.948   25.324   48.246   48.269   61.632   29.746   64.505   23.329   67.778   17.466 -3.272911 29.14249 
1 1 1   -1  -11   29 o   84.730   14.382   94.576   29.342   98.636   52.563   92.739   35.364   84.248   23.887   82.951   17.616 1.296936 29.68029 
1 1 1   -1  -11   30 o  142.450   15.157  265.906   53.088  364.906  131.684  246.692   58.012  153.346   35.141  136.117   17.470 17.22890 39.24406 
1 1 1   -1  -11   31 o  192.339   12.342  478.310   58.965  534.514   84.328  424.540   82.482  200.361   17.015  177.118   18.942 23.24336 25.46222 
1 1 1   -1  -11   32 o  194.000   12.975  491.814   62.496  502.549   88.761  481.261   88.008  191.570   18.796  187.181   19.096 4.389587 26.79459 
1 1 1   -1  -11   33 o  123.166   12.863  200.624   38.979  297.560   68.261  153.725   47.481  145.653   19.238  104.334   18.921 41.31876 26.98332 
1 1 1   -1  -11   34 o  107.479   14.581  156.950   38.124  172.469   69.912  150.382   45.482  103.456   26.834  102.837   18.386 0.6184006 32.52811 
1 1 1   -1  -11   35 o   52.833   16.933   38.897   25.291 -14.4566   65.019   48.408   27.452   50.129   22.973   58.162   17.485 -8.032440 28.87011 
1 1 1   -1  -11   36 o   44.604   16.126   25.166   23.060   45.892   68.894   22.551   24.472   61.902   26.091   43.730   16.468 18.17134 30.85381 
1 1 1   -1  -11   37 o   80.005   18.584   96.820   36.419   59.602  159.731   98.861   37.404   70.402   33.451   80.621   18.907 -10.21892 38.42407 
1 1 1   -1  -10    1 o  522.329   19.242  3445.59  250.978  3550.26  307.642  3237.30  433.982  528.808   23.297  498.683   35.073 30.12451 42.10510 
1 1 1   -1  -10    2 o  173.916   9.9954  379.966   43.227  359.547   53.169  419.780   74.244  168.839   12.704  181.928   16.522 -13.08890 20.84155 
1 1 1   -1  -10    3 o  164.870   9.6262  341.316   39.460  341.194   48.654  341.549   67.452  164.595   11.918  164.003   16.703 0.5922546 20.51902 
1 1 1   -1  -10    4 f  272.138   15.290  932.148  103.487  813.566  147.039  1048.54  145.675  252.727   23.571  287.825   20.400 -35.09811 31.17262 
1 1 1   -1  -10    5 o  597.041   21.410  4488.26  319.199  4711.76  391.416  4044.53  551.523  610.608   25.670  559.793   39.711 50.81537 47.28557 
1 1 1   -1  -10    6 f  122.791   9.4547  189.656   28.768  171.677   35.892  221.955   48.109  116.435   12.542  132.265   14.821 -15.82986 19.41533 
1 1 1   -1  -10    7 o   62.324   10.425   49.895   15.652   40.899   20.443   62.639   24.331   56.094   14.491   69.427   14.502 -13.33321 20.50108 
1 1 1   -1  -10    8 o   98.127   9.3687  121.483   22.678  122.801   29.064  119.430   36.260   98.326   12.092   96.408   15.594 1.918335 19.73273 
1 1 1   -1  -10    9 o  142.044   16.585  256.388   57.722  256.388   57.722   0.0000   0.0000  142.044   16.585  ?   ?  0.000000 16.58521 
1 1 1   -1  -10   10 o  140.661   10.608  248.879   36.986  206.541   46.625  320.745   60.746  127.530   14.923  159.232   15.472 -31.70226 21.49596 
1 1 1   -1  -10   11 f  126.153   10.113  200.323   31.592  188.970   40.667  217.605   50.173  122.089   13.568  130.823   15.670 -8.733986 20.72760 
1 1 1   -1  -10   12 f  323.750   12.991  1312.72  105.028  1391.53  129.792  1163.22  178.764  333.102   15.603  302.755   23.838 30.34631 28.49043 
1 1 1   -1  -10   13 f  266.362   11.062  888.086   73.583  980.255   91.801  722.460  123.061  279.699   13.143  238.596   20.864 41.10347 24.65866 
1 1 1   -1  -10   14 o  698.838   29.731  6227.20  518.851  6962.42  737.401  5506.29  730.184  731.467   40.528  646.842   45.494 84.62500 60.92837 
1 1 1   -1  -10   15 o  499.477   18.166  3144.14  226.577  3318.00  278.691  2805.18  389.134  512.058   21.795  465.441   33.708 46.61649 40.14040 
1 1 1   -1  -10   16 o  423.101   16.552  2255.83  174.879  2279.39  215.374  2210.26  299.607  424.317   20.326  413.892   29.174 10.42456 35.55698 
1 1 1   -1  -10   17 o  140.856   9.5583  249.767   33.421  307.826   45.072  178.853   49.813  156.164   11.641  117.734   17.473 38.43026 20.99605 
1 1 1   -1  -10   18 o  228.728   11.357  657.231   64.870  672.484   82.040  631.784  105.965  230.522   14.322  222.193   19.289 8.329132 24.02497 
1 1 1   -1  -10   19 o  135.945   18.721  239.333   61.869  239.333   61.869   0.0000   0.0000  135.945   18.721  ?   ?  0.000000 18.72120 
1 1 1   -1  -10   20 o  398.197   15.612  2009.59  155.240  2057.03  192.158  1920.45  263.407  401.360   19.172  382.313   27.780 19.04779 33.75379 
1 1 1   -1  -10   21 o  121.823   11.019  188.295   33.159  196.121   46.458  180.168   47.342  123.443   15.407  117.970   16.524 5.473152 22.59193 
1 1 1   -1  -10   22 o  202.247   10.728  516.313   53.986  579.265   70.703  428.296   83.603  213.648   13.319  182.089   18.649 31.55856 22.91657 
1 1 1   -1  -10   23 o  249.883   13.692  792.851   85.112  1048.32  136.680  631.042  108.776  285.205   19.305  220.725   19.950 64.48039 27.76125 
1 1 1   -1  -10   24 o  129.846   11.501  214.299   36.907  218.617   52.995  210.233   51.429  129.913   16.724  127.407   16.556 2.506104 23.53250 
1 1 1   -1  -10   25 o   58.778   14.681   45.596   21.486   47.230   38.644   44.865   25.849   62.180   20.981   58.562   16.801 3.618099 26.87898 
1 1 1   -1  -10   26 o  138.965   11.934  245.827   41.012  240.449   58.887  250.893   57.152  135.861   17.784  139.130   16.789 -3.268234 24.45697 
1 1 1   -1  -10   27 o  146.104   21.206  282.641   75.111  282.641   75.111   0.0000   0.0000  146.104   21.206  ?   ?  0.000000 21.20639 
1 1 1   -1  -10   28 o  195.879   11.918  487.787   58.021  530.073   80.202  441.354   84.042  202.819   15.964  183.947   18.549 18.87132 24.47306 
1 1 1   -1  -10   29 o   67.705   15.389   61.068   25.428   57.869   49.910   62.189   29.551   68.443   23.821   68.088   17.335 0.3547287 29.46069 
1 1 1   -1  -10   30 o   90.418   14.483  107.487   31.598   83.637   55.145  119.145   38.555   78.405   24.990   94.500   16.961 -16.09534 30.20267 
1 1 1   -1  -10   31 o  221.431   15.649  640.792   85.977  800.483  162.860  579.091  101.233  236.609   28.114  207.736   19.752 28.87314 34.35878 
1 1 1   -1  -10   32 o   94.958   14.008  119.383   32.219  165.680   60.919  101.404   37.963  107.554   23.351   85.753   18.286 21.80108 29.65926 
1 1 1   -1  -10   33 o   84.724   15.467   97.514   31.518   78.327   60.200  104.759   36.993   74.207   26.140   86.922   17.645 -12.71429 31.53853 
1 1 1   -1  -10   34 o   48.928   15.985   31.696   22.472   61.479   58.199   26.478   24.361   67.477   25.399   46.524   16.603 20.95303 30.34401 
1 1 1   -1  -10   35 o   80.959   29.328  107.005   76.334  107.005   76.334   0.0000   0.0000   80.959   29.328  ?   ?  0.000000 29.32826 
1 1 1   -1  -10   36 f   70.098   17.624   71.101   30.817 -21.2400   69.082   94.042   34.433   50.448   23.321   80.884   17.552 -30.43584 29.18797 
1 1 1   -1  -10   37 o   60.800   17.303   53.994   27.527   53.263   72.829   54.116   29.733   64.140   26.919   60.629   18.190 3.510941 32.48878 
1 1 1   -1  -10   38 o   45.726   16.858   26.993   25.379   88.904  161.581   25.427   25.698   72.956   34.357   45.061   16.894 27.89527 38.28549 
1 1 1   -1   -9    1 o  336.084   24.276  1445.13  202.373  1445.13  202.373   0.0000   0.0000  336.084   24.276  ?   ?  0.000000 24.27647 
1 1 1   -1   -9    2 o  343.730   13.783  1484.44  118.308  1521.93  145.097  1410.08  204.355  347.535   16.719  331.831   24.842 15.70389 29.94383 
1 1 1   -1   -9    3 o  212.274   10.020  564.362   53.115  587.564   65.332  519.128   91.221  216.099   12.156  202.066   18.276 14.03305 21.94942 
1 1 1   -1   -9    4 o  314.864   13.250  1243.75  104.184  1216.00  127.772  1298.79  179.963  310.492   16.539  319.522   22.702 -9.030426 28.08771 
1 1 1   -1   -9    5 o  156.971   9.7586  309.509   38.063  287.561   46.917  351.770   65.103  150.969   12.559  166.630   15.836 -15.66113 20.21169 
1 1 1   -1   -9    6 o  662.436   29.489  5571.67  487.820  5589.74  690.558  5553.68  689.208  656.527   42.347  654.366   42.406 2.161682 59.92890 
1 1 1   -1   -9    7 o  107.623   8.3456  145.663   22.254  160.455   28.075  120.656   36.502  112.817   10.071   96.891   15.617 15.92613 18.58313 
1 1 1   -1   -9    8 o  115.411   8.8846  167.503   25.409  175.841   31.993  153.261   41.814  118.052   10.978  109.467   15.750 8.585442 19.19853 
1 1 1   -1   -9    9 o   73.535   10.163   68.903   18.164   62.536   23.556   78.243   28.528   69.422   14.070   77.688   15.250 -8.265923 20.74877 
1 1 1   -1   -9   10 o  270.919   11.865  918.385   80.271  956.679   99.005  844.916  137.132  275.997   14.415  258.364   21.449 17.63300 25.84242 
1 1 1   -1   -9   11 o  758.001   48.478  7461.83  912.826  7461.83  912.826   0.0000   0.0000  758.001   48.478  ?   ?  0.000000 48.47838 
1 1 1   -1   -9   12 o  269.554   11.815  909.283   79.529  941.948   98.441  847.899  134.944  273.821   14.448  258.819   21.062 15.00217 25.54066 
1 1 1   -1   -9   13 o  202.834   10.930  516.267   55.157  498.698   68.956  547.478   91.907  199.024   13.963  208.057   17.863 -9.032745 22.67234 
1 1 1   -1   -9   14 o  424.401   16.110  2260.60  170.736  2344.86  210.104  2096.79  292.963  431.720   19.489  405.372   29.135 26.34863 35.05219 
1 1 1   -1   -9   15 o  237.290   10.939  705.018   64.820  748.601   81.332  629.136  107.318  243.980   13.401  222.650   19.498 21.33015 23.65931 
1 1 1   -1   -9   16 o  208.155   12.264  545.131   63.466  721.502   99.556  424.384   82.374  238.871   16.797  182.620   18.310 56.25111 24.84711 
1 1 1   -1   -9   17 o  149.369   10.565  280.993   39.153  272.992   51.018  292.456   61.069  146.717   14.099  151.505   16.403 -4.788147 21.62973 
1 1 1   -1   -9   18 o  197.681   10.940  491.723   53.793  512.760   68.646  458.247   86.593  201.439   13.728  189.415   18.545 12.02370 23.07326 
1 1 1   -1   -9   19 f  185.512   17.783  439.909   81.372   0.0000   0.0000  439.909   81.372  ?   ?   185.512   17.783 0.000000 17.78318 
1 1 1   -1   -9   20 o  147.923   18.673  282.527   67.438  282.527   67.438   0.0000   0.0000  147.923   18.673  ?   ?  0.000000 18.67265 
1 1 1   -1   -9   21 o  243.471   11.319  745.920   68.820  801.205   87.503  656.268  111.430  251.443   13.991  225.714   19.976 25.72916 24.38816 
1 1 1   -1   -9   22 o   99.941   12.926  128.105   31.503   59.811   44.303  197.959   44.806   69.003   22.440  124.199   14.734 -55.19592 26.84442 
1 1 1   -1   -9   23 o  238.794   12.221  721.227   72.629  706.503   92.318  745.143  117.657  235.327   15.801  240.281   19.785 -4.954224 25.32010 
1 1 1   -1   -9   24 o   94.498   12.322  114.576   28.386  113.316   44.206  115.460   37.029   92.287   19.777   93.956   16.378 -1.669655 25.67770 
1 1 1   -1   -9   25 o  212.454   11.581  570.990   61.211  599.006   80.300  532.133   94.570  216.702   14.930  202.890   18.882 13.81259 24.07181 
1 1 1   -1   -9   26 o  130.062   12.271  215.594   39.383  186.208   56.426  243.509   54.994  118.848   19.702  137.275   16.365 -18.42696 25.61261 
1 1 1   -1   -9   27 o  197.429   10.928  493.105   53.666  594.992   74.056  380.423   77.880  216.126   13.793  171.151   18.517 44.97551 23.08994 
1 1 1   -1   -9   28 o  130.718   12.077  217.974   38.977  231.055   58.473  207.514   52.288  132.943   18.082  126.201   17.026 6.742401 24.83678 
1 1 1   -1   -9   29 o   65.299   15.573   56.681   25.038   36.573   46.844   64.723   29.625   60.189   22.757   69.612   17.153 -9.422993 28.49735 
1 1 1   -1   -9   30 o  103.118   13.729  137.954   34.475  111.024   56.625  153.816   43.459   89.607   24.570  108.097   16.633 -18.48946 29.67052 
1 1 1   -1   -9   31 o  129.043   13.068  215.022   41.531  204.142   65.058  222.505   53.955  122.100   22.153  129.838   17.053 -7.738411 27.95654 
1 1 1   -1   -9   32 o   43.391   15.114   22.271   20.095   46.860   53.278   18.193   21.698   64.332   24.282   41.838   15.555 22.49468 28.83729 
1 1 1   -1   -9   33 o   35.541   14.026   9.9806   18.366   11.384   54.187   9.7984   19.521   53.884   22.945   36.194   14.404 17.68977 27.09120 
1 1 1   -1   -9   34 o   71.057   16.366   69.757   28.441   47.317   60.532   76.114   32.219   64.599   25.473   73.805   17.708 -9.206223 31.02332 
1 1 1   -1   -9   35 o  112.738   14.149  170.359   38.957  186.593   71.139  163.405   46.559  109.600   26.323  108.298   17.837 1.302307 31.79729 
1 1 1   -1   -9   36 f   46.074   21.866 -53.5153   67.866 -53.5153   67.866   0.0000   0.0000   46.074   21.866  ?   ?  0.000000 21.86628 
1 1 1   -1   -9   37 o   63.482   17.189   58.001   27.919   66.425   73.262   56.570   30.197   68.694   27.709   62.440   18.230 6.254459 33.16803 
1 1 1   -1   -9   38 o   48.017   16.683   30.985   24.475   9.4798   74.682   33.573   25.905   56.000   25.251   49.631   17.168 6.368866 30.53409 
1 1 1   -1   -9   39 o   50.878   17.617   36.686   27.281 -30.0202  171.123   38.426   27.634   64.697   31.659   51.792   17.741 12.90545 36.29111 
1 1 1   -1   -8    1 o  347.759   13.582  1518.35  117.948  1615.26  144.680  1326.30  203.664  358.275   16.171  321.833   25.552 36.44171 30.23901 
1 1 1   -1   -8    2 o  140.832   15.940  252.777   55.071  252.777   55.071   0.0000   0.0000  140.832   15.940  ?   ?  0.000000 15.93979 
1 1 1   -1   -8    3 o  298.964   12.739  1122.02   95.106  1112.23  116.622  1141.44  164.333  296.820   15.791  299.137   22.157 -2.316711 27.20767 
1 1 1   -1   -8    4 o  533.768   24.404  3625.53  325.283  3680.91  460.184  3570.22  459.855  531.659   34.854  523.230   35.403 8.428284 49.68106 
1 1 1   -1   -8    5 o  195.357   12.462  480.579   60.477  464.992   85.646  496.082   85.410  191.234   18.152  197.702   17.480 -6.468201 25.20041 
1 1 1   -1   -8    6 o  755.729   33.558  7328.03  633.297  7130.87  895.450  7525.34  895.783  732.901   49.212  754.222   47.808 -21.32074 68.61113 
1 1 1   -1   -8    7 o  237.473   19.462  714.147  114.401   0.0000   0.0000  714.147  114.401  ?   ?   237.473   19.462 0.000000 19.46245 
1 1 1   -1   -8    8 o  215.398   13.126  583.188   70.267  524.986   99.538  641.006   99.209  203.404   19.849  225.267   17.781 -21.86292 26.64873 
1 1 1   -1   -8    9 o  421.342   19.931  2230.61  209.710  2161.34  296.713  2299.75  296.436  412.331   29.001  425.628   28.047 -13.29712 40.34484 
1 1 1   -1   -8   10 o  357.126   17.589  1599.90  156.856  1583.38  222.175  1616.31  221.483  353.515   25.335  357.262   24.983 -3.746613 35.58133 
1 1 1   -1   -8   11 o  359.948   17.561  1625.14  157.850  1686.10  223.765  1564.75  222.708  365.011   24.694  351.399   25.554 13.61151 35.53654 
1 1 1   -1   -8   12 o  499.238   32.962  3176.43  408.620  3176.43  408.620   0.0000   0.0000  499.238   32.962  ?   ?  0.000000 32.96188 
1 1 1   -1   -8   13 o  299.046   15.896  1124.24  118.281  1026.32  167.723  1221.13  166.829  284.439   23.833  310.833   21.628 -26.39365 32.18311 
1 1 1   -1   -8   14 o  601.970   26.894  4581.58  404.282  4707.96  572.540  4455.90  570.945  605.344   38.069  588.411   39.079 16.93286 54.55629 
1 1 1   -1   -8   15 o  406.331   19.461  2076.92  197.464  2066.73  280.118  2086.99  278.402  402.803   28.023  404.873   27.703 -2.069580 39.40433 
1 1 1   -1   -8   16 o  274.253   14.985  946.812  102.235  957.926  145.922  936.097  143.280  274.707   21.441  271.568   21.299 3.138519 30.22193 
1 1 1   -1   -8   17 o  519.849   24.462  3430.30  317.556  3278.86  452.346  3577.46  445.908  502.170   36.317  525.831   34.143 -23.66074 49.84662 
1 1 1   -1   -8   18 o  230.953   11.708  670.718   67.301  660.953   84.592  687.557  111.089  228.763   14.889  232.455   19.312 -3.692245 24.38528 
1 1 1   -1   -8   19 o  313.203   13.498  1233.70  105.572  1240.06  131.043  1221.93  178.205  312.949   16.830  308.699   23.289 4.249481 28.73344 
1 1 1   -1   -8   20 o   96.924   10.179  119.148   24.270  170.884   35.983   75.971   32.872  115.880   12.640   75.958   17.664 39.92221 21.72070 
1 1 1   -1   -8   21 o  331.593   24.862  1426.04  204.374  1426.04  204.374   0.0000   0.0000  331.593   24.862  ?   ?  0.000000 24.86238 
1 1 1   -1   -8   22 o  117.273   11.077  174.493   32.055  162.218   44.297  187.989   46.446  111.971   16.322  120.825   15.770 -8.854095 22.69582 
1 1 1   -1   -8   23 o  127.207   11.173  205.206   35.133  200.684   48.415  210.238   51.063  124.804   15.895  127.661   16.397 -2.857063 22.83656 
1 1 1   -1   -8   24 o  188.442   11.247  448.790   52.686  457.027   69.274  437.489   81.146  189.356   14.767  184.372   17.848 4.984558 23.16484 
1 1 1   -1   -8   25 o  223.210   11.861  630.114   65.877  636.426   85.129  620.692  104.010  223.375   15.355  219.295   19.186 4.079346 24.57386 
1 1 1   -1   -8   26 o  130.590   14.880  219.120   47.658  179.867  100.420  230.532   54.144  113.866   33.245  133.546   16.594 -19.67947 37.15575 
1 1 1   -1   -8   27 o  146.083   12.056  271.285   43.588  246.388   61.140  297.017   62.157  137.571   18.247  151.720   16.681 -14.14899 24.72316 
1 1 1   -1   -8   28 o  153.934   12.511  301.664   47.678  253.620   67.181  350.417   67.675  138.946   19.933  164.823   16.671 -25.87680 25.98568 
1 1 1   -1   -8   29 o  157.955   11.803  317.173   46.218  355.722   67.353  282.867   63.539  165.990   16.466  147.488   17.599 18.50272 24.10128 
1 1 1   -1   -8   30 o   89.843   25.733  110.652   60.685  110.652   60.685   0.0000   0.0000   89.843   25.733  ?   ?  0.000000 25.73266 
1 1 1   -1   -8   31 o   94.493   13.637  116.161   31.246  135.241   54.630  106.884   38.092   99.282   22.549   89.425   17.685 9.857590 28.65652 
1 1 1   -1   -8   32 o   99.876   14.481  130.768   35.063   87.765   60.162  152.889   43.150   80.202   26.152  107.395   16.627 -27.19363 30.99032 
1 1 1   -1   -8   33 o   27.690   12.047  -2.1416   15.563 -54.8730   51.146   3.2390   16.338   39.969   18.973   30.806   12.826 9.162336 22.90103 
1 1 1   -1   -8   34 o   97.615   16.347  128.666   38.439  191.363  134.054  123.049   40.123  106.275   38.809   94.882   17.582 11.39220 42.60616 
1 1 1   -1   -8   35 f   91.306   14.989  112.531   32.989  121.060   66.262  109.720   38.038   88.728   27.267   88.873   17.761 -0.1451950 32.54166 
1 1 1   -1   -8   36 o   86.413   16.686  103.729   34.704   21.724   69.232  131.249   40.106   59.646   25.678   97.204   17.149 -37.55865 30.87819 
1 1 1   -1   -8   37 o   67.373   27.753   54.681   75.361   54.681   75.361   0.0000   0.0000   67.373   27.753  ?   ?  0.000000 27.75254 
1 1 1   -1   -8   38 o   68.417   17.721   67.877   30.519   15.289   75.863   78.031   33.335   58.398   25.953   73.122   18.299 -14.72389 31.75609 
1 1 1   -1   -8   39 o   94.143   16.885  127.207   38.238   78.483   83.882  139.987   42.961   70.533   29.188   97.824   18.258 -27.29172 34.42791 
1 1 1   -1   -8   40 o   67.304   18.995   69.706   33.318  154.019  181.279   66.759   33.895   78.188   36.684   65.691   19.353 12.49744 41.47631 
1 1 1   -1   -7    1 o  487.277   22.447  2999.41  273.135  2964.04  386.254  3034.79  386.290  480.388   32.387  486.274   31.990 -5.886047 45.52232 
1 1 1   -1   -7    2 f  133.749   10.945  225.551   36.234  203.363   51.274  247.684   51.211  126.083   16.696  139.652   14.915 -13.56994 22.38797 
1 1 1   -1   -7    3 o  586.432   38.722  4504.80  563.866  4504.80  563.866   0.0000   0.0000  586.432   38.722  ?   ?  0.000000 38.72215 
1 1 1   -1   -7    4 f  245.865   13.897  761.896   84.974  722.628  120.181  801.152  120.163  238.123   20.408  251.069   19.314 -12.94630 28.09830 
1 1 1   -1   -7    5 o  233.649   13.556  688.000   78.753  661.724  111.455  714.200  111.292  227.930   19.778  237.042   18.960 -9.110977 27.39780 
1 1 1   -1   -7    6 o  269.816   14.695  917.571   98.641  858.254  139.542  976.816  139.457  259.462   21.737  277.271   20.282 -17.80859 29.72978 
1 1 1   -1   -7    7 o  294.867   15.528  1095.25  113.939  1047.22  161.226  1143.18  161.042  286.870   22.691  300.049   21.638 -13.17831 31.35451 
1 1 1   -1   -7    8 o  177.008   12.150  394.242   53.381  355.114   75.747  432.848   75.240  167.057   18.466  184.951   16.463 -17.89340 24.73919 
1 1 1   -1   -7    9 o  365.529   25.620  1695.41  232.380   0.0000   0.0000  1695.41  232.380  ?   ?   365.529   25.620 0.000000 25.62006 
1 1 1   -1   -7   10 o  312.322   16.168  1226.20  125.670  1144.28  177.902  1307.80  177.547  300.452   23.909  321.635   22.242 -21.18347 32.65507 
1 1 1   -1   -7   11 o  567.341   25.396  4057.59  359.799  4234.07  509.445  3881.95  508.224  575.872   35.600  550.767   37.169 25.10529 51.46801 
1 1 1   -1   -7   12 o  386.410   18.652  1873.82  179.983  1856.04  254.925  1891.49  254.146  382.624   26.850  386.351   26.502 -3.727325 37.72682 
1 1 1   -1   -7   13 o  668.376   42.885  5752.85  712.004  5752.85  712.004   0.0000   0.0000  668.376   42.885  ?   ?  0.000000 42.88535 
1 1 1   -1   -7   14 o  491.688   22.524  3042.77  276.556  3124.71  391.776  2961.38  390.448  495.330   31.842  481.918   32.637 13.41183 45.59676 
1 1 1   -1   -7   15 o  451.226   20.832  2561.27  234.730  2701.73  332.971  2422.51  330.954  460.936   29.077  435.942   30.595 24.99405 42.20790 
1 1 1   -1   -7   16 f  369.562   18.069  1716.26  166.757  1734.47  236.858  1698.37  234.814  369.420   25.838  365.524   25.893 3.896271 36.57920 
1 1 1   -1   -7   17 o  609.001   26.959  4709.56  409.997  5033.92  581.287  4388.45  578.369  623.765   37.492  580.783   40.125 42.98145 54.91500 
1 1 1   -1   -7   18 o  435.474   29.663  2436.23  320.653   0.0000   0.0000  2436.23  320.653  ?   ?   435.474   29.663 0.000000 29.66309 
1 1 1   -1   -7   19 o  495.247   33.498  3190.12  411.842  3190.12  411.842   0.0000   0.0000  495.247   33.498  ?   ?  0.000000 33.49809 
1 1 1   -1   -7   20 o  140.408   11.670  249.180   40.546  275.038   60.311  227.855   54.770  146.670   16.768  133.314   16.827 13.35596 23.75501 
1 1 1   -1   -7   21 o  247.355   11.997  769.164   74.102  770.952   93.217  766.092  122.142  246.684   15.206  244.567   20.180 2.116867 25.26750 
1 1 1   -1   -7   22 o   80.487   12.226   83.349   23.801   76.078   35.068   89.560   32.407   75.866   18.643   82.712   16.270 -6.846397 24.74434 
1 1 1   -1   -7   23 o  207.715   19.795  555.979  101.435  555.979  101.435   0.0000   0.0000  207.715   19.795  ?   ?  0.000000 19.79499 
1 1 1   -1   -7   24 o  325.112   14.141  1336.69  114.806  1325.12  143.109  1357.58  192.299  322.023   17.866  323.018   24.011 -0.9958496 29.92910 
1 1 1   -1   -7   25 o  281.018   13.207  997.702   92.677  970.361  116.744  1044.30  152.402  275.574   17.048  283.970   21.655 -8.395782 27.56040 
1 1 1   -1   -7   26 o   77.847   13.129   78.617   24.614   84.856   40.449   74.948   31.017   79.772   20.265   75.278   16.913 4.493896 26.39539 
1 1 1   -1   -7   27 o   65.860   15.930   57.338   25.914  132.183   90.813   50.703   27.039   99.571   32.105   62.066   16.962 37.50503 36.31014 
1 1 1   -1   -7   28 o  254.198   12.623  816.851   80.131  844.867  104.321  776.534  125.143  256.970   16.342  244.541   20.687 12.42845 26.36302 
1 1 1   -1   -7   29 o  157.643   12.438  316.176   48.566  283.781   68.789  348.369   68.575  147.404   19.140  164.263   16.962 -16.85905 25.57412 
1 1 1   -1   -7   30 f  130.813   12.267  218.415   39.605  236.568   61.407  205.486   51.825  134.315   18.825  125.604   16.956 8.710854 25.33579 
1 1 1   -1   -7   31 o   69.764   25.284   56.396   56.744   56.396   56.744   0.0000   0.0000   69.764   25.284  ?   ?  0.000000 25.28427 
1 1 1   -1   -7   32 o  127.424   12.755  208.749   40.041  226.466   64.743  197.775   50.955  129.940   20.643  122.602   17.110 7.338730 26.81159 
1 1 1   -1   -7   33 o   49.600   15.884   31.411   22.258   53.488   54.338   26.960   24.398   67.248   24.686   47.725   16.652 19.52319 29.77731 
1 1 1   -1   -7   34 o   39.286   14.723   15.568   19.516   21.000   57.094   14.849   20.767   57.848   24.021   39.584   15.107 18.26453 28.37679 
1 1 1   -1   -7   35 o   85.140   16.933   99.136   34.735  120.301  135.153   97.639   35.942   91.937   37.435   84.188   17.660 7.749207 41.39171 
1 1 1   -1   -7   36 o   49.850   16.317   32.614   23.411   7.0834   61.347   36.966   25.328   54.744   23.866   52.638   16.953 2.106926 29.27432 
1 1 1   -1   -7   37 o   70.597   16.264   69.550   28.082  101.664   67.683   62.872   30.864   80.746   27.760   66.535   18.097 14.21057 33.13817 
1 1 1   -1   -7   38 o   76.587   17.663   83.704   33.091  -7.2293   72.815  107.373   37.149   54.557   24.736   86.973   17.707 -32.41515 30.41994 
1 1 1   -1   -7   39 o   69.538   17.778   70.246   30.992   33.227   80.463   76.694   33.583   62.567   27.303   72.332   18.514 -9.764130 32.98829 
1 1 1   -1   -7   40 o   75.979   30.306  103.701   86.597  103.701   86.597   0.0000   0.0000   75.979   30.306  ?   ?  0.000000 30.30634 
1 1 1   -1   -6    1 o  699.374   30.937  6214.63  540.307  6351.21  764.351  6078.22  763.868  699.648   43.972  683.794   44.986 15.85413 62.90665 
1 1 1   -1   -6    2 o  786.928   34.757  7923.25  683.005  7894.81  965.925  7951.69  965.906  774.034   50.244  776.984   50.048 -2.949890 70.91770 
1 1 1   -1   -6    3 o  211.773   12.850  564.220   67.636  535.956   95.672  592.460   95.631  205.469   18.856  216.285   17.866 -10.81670 25.97613 
1 1 1   -1   -6    4 o  337.707   16.852  1435.25  142.112  1459.11  201.084  1411.43  200.870  338.345   23.954  332.631   24.352 5.713837 34.15864 
1 1 1   -1   -6    5 o  213.161   18.503  577.630   97.513  577.630   97.513   0.0000   0.0000  213.161   18.503  ?   ?  0.000000 18.50255 
1 1 1   -1   -6    6 o  258.392   14.332  841.777   92.113  808.729  130.350  874.741  130.186  251.875   20.913  262.233   20.032 -10.35794 28.95934 
1 1 1   -1   -6    7 o  457.355   21.375  2648.17  244.122  2571.31  345.257  2725.02  345.223  446.233   31.179  459.886   30.229 -13.65244 43.42761 
1 1 1   -1   -6    8 o  626.414   28.115  4999.47  439.790  5058.96  622.211  4940.07  621.704  622.506   40.242  614.797   40.726 7.708862 57.25343 
1 1 1   -1   -6    9 o  580.702   26.169  4270.43  379.487  4258.17  536.866  4282.68  536.485  574.459   37.632  576.184   37.490 -1.725403 53.11975 
1 1 1   -1   -6   10 o  480.608   31.884  2946.98  380.486   0.0000   0.0000  2946.98  380.486  ?   ?   480.608   31.884 0.000000 31.88372 
1 1 1   -1   -6   11 o  457.004   21.273  2626.05  242.772  2486.70  343.399  2765.29  343.263  441.860   31.325  466.539   29.617 -24.67917 43.10947 
1 1 1   -1   -6   12 o  565.819   25.476  4035.43  359.967  4053.92  509.423  4016.99  508.719  563.250   36.413  560.623   36.537 2.627014 51.58377 
1 1 1   -1   -6   13 o  181.339   12.197  413.317   54.914  424.870   78.477  402.234   76.867  183.259   17.355  178.246   17.494 5.012238 24.64281 
1 1 1   -1   -6   14 o  516.869   23.454  3362.82  302.719  3482.35  428.761  3244.01  427.460  522.924   33.003  504.289   34.145 18.63434 47.48829 
1 1 1   -1   -6   15 o  630.182   40.646  5106.38  636.222  5106.38  636.222   0.0000   0.0000  630.182   40.646  ?   ?  0.000000 40.64569 
1 1 1   -1   -6   16 o  382.272   18.755  1835.69  179.031  1715.82  253.864  1954.29  252.519  367.224   27.892  392.527   25.907 -25.30371 38.06762 
1 1 1   -1   -6   17 o  475.618   21.923  2851.47  260.384  2929.91  369.431  2774.03  367.057  478.893   31.059  465.689   31.753 13.20370 44.41785 
1 1 1   -1   -6   18 o  471.806   21.842  2810.80  257.340  2896.90  364.895  2725.61  362.980  475.390   30.905  460.735   31.742 14.65472 44.30250 
1 1 1   -1   -6   19 o  237.257   19.669  715.272  115.480   0.0000   0.0000  715.272  115.480  ?   ?   237.257   19.669 0.000000 19.66850 
1 1 1   -1   -6   20 o  696.205   31.301  6254.25  544.188  6347.36  770.881  6161.75  768.323  688.340   45.096  677.576   45.675 10.76373 64.18613 
1 1 1   -1   -6   21 o  394.810   19.204  1975.66  189.333  1972.47  269.129  1978.79  266.407  390.439   27.784  391.232   27.442 -0.7935181 39.05173 
1 1 1   -1   -6   22 o  244.021   14.424  753.476   87.507  725.849  125.921  779.279  121.695  237.588   21.455  246.722   19.922 -9.134537 29.27831 
1 1 1   -1   -6   23 o  506.389   23.551  3298.90  297.818  3393.39  422.805  3205.86  419.571  504.932   33.726  490.025   34.508 14.90683 48.25171 
1 1 1   -1   -6   24 f  131.373   19.152  224.488   60.982  224.488   60.982   0.0000   0.0000  131.373   19.152  ?   ?  0.000000 19.15182 
1 1 1   -1   -6   25 o  213.031   12.082  573.691   64.007  547.425   82.323  613.843  101.782  207.106   16.043  218.516   18.837 -11.41002 24.74237 
1 1 1   -1   -6   26 o  113.657   11.950  164.579   33.408  134.725   47.872  192.921   46.644  100.944   19.698  122.363   15.621 -21.41931 25.14050 
1 1 1   -1   -6   27 o  202.178   11.186  516.368   56.257  572.704   74.986  443.832   85.087  212.213   14.232  185.439   18.626 26.77361 23.44130 
1 1 1   -1   -6   28 o  209.963   15.900  563.624   82.747  476.268  140.634  609.880  102.336  186.745   31.262  217.379   19.044 -30.63408 36.60624 
1 1 1   -1   -6   29 o  182.844   12.319  424.183   55.920  399.094   76.337  453.236   82.149  175.864   17.619  187.469   17.760 -11.60498 25.01686 
1 1 1   -1   -6   30 o  173.185   12.751  381.521   54.758  339.487   76.586  425.481   78.321  161.340   19.398  181.527   17.494 -20.18726 26.12116 
1 1 1   -1   -6   31 o  152.040   12.118  294.305   45.626  332.819   69.166  264.636   60.707  160.121   17.588  142.642   17.404 17.47891 24.74300 
1 1 1   -1   -6   32 o  152.349   23.431  312.452   86.285  312.452   86.285   0.0000   0.0000  152.349   23.431  ?   ?  0.000000 23.43067 
1 1 1   -1   -6   33 o  137.880   12.618  244.106   42.965  271.706   68.677  226.357   55.074  142.828   19.787  131.178   17.229 11.64972 26.23652 
1 1 1   -1   -6   34 f   55.833   16.245   41.440   24.015   39.950   59.004   41.736   26.291   64.162   25.198   56.257   17.156 7.905529 30.48337 
1 1 1   -1   -6   35 o  149.657   13.340  291.167   49.332  274.156   76.692  303.173   64.430  140.195   22.681  150.688   17.445 -10.49278 28.61366 
1 1 1   -1   -6   36 f  135.119   15.166  242.524   50.290  505.132  150.978  209.752   53.335  175.759   35.619  124.235   17.692 51.52443 39.77044 
1 1 1   -1   -6   37 o   93.413   14.890  117.783   33.569  142.739   68.781  109.980   38.460   95.747   27.386   88.766   17.967 6.981476 32.75416 
1 1 1   -1   -6   38 o   40.147   15.101   17.182   20.566   47.994   66.248   13.895   21.635   64.936   26.294   39.029   15.278 25.90718 30.41076 
1 1 1   -1   -6   39 o   54.705   17.497   41.484   27.016   0.0000   0.0000   41.484   27.016  ?   ?    54.705   17.497 0.000000 17.49740 
1 1 1   -1   -6   40 o  122.333   34.952  291.737  112.096  291.737  112.096   0.0000   0.0000  122.333   34.952  ?   ?  0.000000 34.95179 
1 1 1   -1   -6   41 o   37.030   14.855   11.889   20.933 -12.8915   86.947   13.414   21.567   55.238   25.749   38.065   15.143 17.17304 29.87174 
1 1 1   -1   -5    1 o  282.023   21.378  1005.88  149.436   0.0000   0.0000  1005.88  149.436  ?   ?   282.023   21.378 0.000000 21.37778 
1 1 1   -1   -5    2 o  593.657   26.577  4453.70  393.997  4538.96  557.369  4368.54  557.024  594.605   37.733  582.975   38.479 11.63025 53.89240 
1 1 1   -1   -5    3 o  208.072   12.732  544.236   65.838  528.142   93.144  560.305   93.074  204.192   18.467  210.457   17.879 -6.265152 25.70378 
1 1 1   -1   -5    4 o  600.029   26.951  4567.25  403.836  4586.70  571.199  4547.81  571.021  595.263   38.635  592.636   38.799 2.626526 54.75410 
1 1 1   -1   -5    5 o  396.392   19.010  1980.68  188.173  1957.93  266.166  2003.40  266.067  391.211   27.418  395.864   27.078 -4.652496 38.53528 
1 1 1   -1   -5    6 o  621.388   41.011  5089.04  632.799  5089.04  632.799   0.0000   0.0000  621.388   41.011  ?   ?  0.000000 41.01104 
1 1 1   -1   -5    7 o  508.385   23.388  3284.33  296.918  3327.08  420.095  3241.66  419.717  506.126   33.426  499.309   33.862 6.817078 47.58106 
1 1 1   -1   -5    8 o  240.161   13.738  726.608   82.050  728.938  116.236  724.294  115.836  239.454   19.611  238.684   19.608 0.7693787 27.73163 
1 1 1   -1   -5    9 o  142.479   11.313  255.880   39.920  238.107   56.683  273.372   56.232  136.564   16.988  146.702   15.588 -10.13803 23.05651 
1 1 1   -1   -5   10 o  432.330   20.327  2353.33  219.451  2372.09  310.607  2334.62  310.094  431.272   29.010  427.777   29.203 3.494690 41.16279 
1 1 1   -1   -5   11 o  440.342   29.628  2467.55  323.898   0.0000   0.0000  2467.55  323.898  ?   ?   440.342   29.628 0.000000 29.62786 
1 1 1   -1   -5   12 o  155.937   11.816  305.989   45.669  272.953   65.089  338.023   64.095  146.378   18.200  163.459   15.904 -17.08157 24.16921 
1 1 1   -1   -5   13 o  478.842   22.118  2883.04  264.472  2749.50  374.136  3016.42  373.904  464.675   32.446  487.241   30.890 -22.56598 44.79897 
1 1 1   -1   -5   14 o  162.441   12.020  331.947   48.414  313.311   69.389  349.625   67.583  157.029   18.022  166.205   16.501 -9.175781 24.43517 
1 1 1   -1   -5   15 o  472.304   21.676  2804.45  255.649  2929.40  362.314  2680.57  360.775  480.211   30.370  458.933   31.674 21.27859 43.88145 
1 1 1   -1   -5   16 o  403.452   27.780  2066.34  278.179  2066.34  278.179   0.0000   0.0000  403.452   27.780  ?   ?  0.000000 27.78026 
1 1 1   -1   -5   17 o  399.576   27.468  2028.88  272.418   0.0000   0.0000  2028.88  272.418  ?   ?   399.576   27.468 0.000000 27.46833 
1 1 1   -1   -5   18 o  480.672   22.320  2914.03  267.919  2864.63  379.526  2963.11  378.266  472.955   32.328  481.298   31.649 -8.342682 45.24127 
1 1 1   -1   -5   19 o  303.286   16.061  1158.87  121.205  1132.04  172.661  1184.94  170.187  298.252   23.369  305.393   22.474 -7.141510 32.42231 
1 1 1   -1   -5   20 o  698.740   31.357  6271.21  547.143  6240.48  774.665  6301.81  772.891  685.283   45.527  688.976   45.173 -3.692078 64.13493 
1 1 1   -1   -5   21 o  217.295   18.881  601.251  101.436   0.0000   0.0000  601.251  101.436  ?   ?   217.295   18.881 0.000000 18.88123 
1 1 1   -1   -5   22 o  289.303   15.840  1059.12  114.000  1010.83  162.957  1105.41  159.539  280.376   23.491  293.826   21.901 -13.45004 32.11647 
1 1 1   -1   -5   23 o  498.953   23.519  3192.81  293.042  3089.31  415.667  3295.08  413.193  482.303   34.745  499.353   33.327 -17.04929 48.14471 
1 1 1   -1   -5   24 o  220.269   13.851  614.539   75.800  594.184  110.203  632.816  104.425  214.663   20.820  222.161   19.006 -7.498962 28.19027 
1 1 1   -1   -5   25 o  196.991   19.642  500.196   95.334  500.196   95.334   0.0000   0.0000  196.991   19.642  ?   ?  0.000000 19.64185 
1 1 1   -1   -5   26 o  300.329   14.273  1140.72  107.042  1058.02  134.018  1286.43  177.894  287.335   18.781  315.122   22.760 -27.78714 29.50808 
1 1 1   -1   -5   27 o  126.975   11.870  204.909   37.202  181.474   52.765  228.074   52.460  117.896   18.534  133.093   16.112 -15.19649 24.55839 
1 1 1   -1   -5   28 o  170.769   11.464  369.027   48.604  390.081   66.913  345.511   70.718  174.656   15.503  163.734   17.570 10.92174 23.43197 
1 1 1   -1   -5   29 o  205.797   12.034  536.130   61.577  558.077   83.083  509.381   91.722  208.891   16.050  198.663   18.709 10.22839 24.65018 
1 1 1   -1   -5   30 o  553.323   20.570  3947.74  284.226  4035.05  351.884  3783.83  482.103  554.822   25.398  522.368   37.201 32.45392 45.04432 
1 1 1   -1   -5   31 o  131.400   12.761  220.475   41.346  205.899   63.401  231.262   54.539  124.577   21.135  133.581   16.716 -9.004234 26.94669 
1 1 1   -1   -5   32 o   81.719   15.085   87.699   29.650   57.790   55.153   99.857   35.164   70.079   24.985   86.906   16.811 -16.82728 30.11374 
1 1 1   -1   -5   33 o   96.989   14.456  122.581   33.942  110.674   61.528  127.789   40.694   89.661   25.978   98.276   17.209 -8.614311 31.16087 
1 1 1   -1   -5   34 o   76.595   15.879   78.297   29.375   45.220   57.353   90.060   34.202   65.719   25.100   81.896   17.268 -16.17709 30.46651 
1 1 1   -1   -5   35 o  113.749   13.775  168.721   38.331  161.495   67.715  172.128   46.498  106.213   25.789  113.743   16.883 -7.530235 30.82346 
1 1 1   -1   -5   36 o   87.065   15.699  101.870   32.877   51.366   64.996  119.235   38.112   68.053   26.526   93.894   16.875 -25.84033 31.43838 
1 1 1   -1   -5   37 o   66.900   17.681   62.169   29.985 -100.2842  139.725   70.012   30.700   64.494   30.822   71.029   17.437 -6.535973 35.41267 
1 1 1   -1   -5   38 o   81.167   16.001   90.553   31.279   98.303   69.813   88.607   34.987   80.540   28.165   79.385   18.056 1.154991 33.45584 
1 1 1   -1   -5   39 o  100.101   15.579  136.907   37.676  186.451   83.299  124.165   42.245  105.876   30.088   93.504   18.745 12.37199 35.44957 
1 1 1   -1   -5   40 o   75.059   17.221   80.238   31.594  102.460   84.182   76.595   34.086   79.335   30.384   72.636   18.685 6.698219 35.66936 
1 1 1   -1   -5   41 o   57.286   26.774 -20.8650   94.989 -20.8650   94.989   0.0000   0.0000   57.286   26.774  ?   ?  0.000000 26.77396 
1 1 1   -1   -5   42 o   79.379   17.457   92.635   33.662  127.231   97.313   87.933   35.877   79.887   32.036   76.310   18.921 3.576866 37.20624 
1 1 1   -1   -4    1 o  332.458   16.595  1385.49  137.772  1342.10  194.801  1428.93  194.877  325.627   24.128  336.190   23.358 -10.56305 33.58189 
1 1 1   -1   -4    2 o  966.589   62.079 12385.89  1490.50   0.0000   0.0000 12385.89  1490.50  ?   ?   966.589   62.079 0.000000 62.07852 
1 1 1   -1   -4    3 o  252.274   14.036  799.625   88.075  800.802  124.623  798.451  124.490  251.656   19.996  251.282   20.005 0.3740845 28.28450 
1 1 1   -1   -4    4 o  480.314   22.090  2905.92  264.952  2984.76  374.879  2827.23  374.517  483.738   31.200  470.466   32.069 13.27167 44.74231 
1 1 1   -1   -4    5 o  807.394   35.672  8358.34  719.231  8384.70  1017.25  8331.99  1017.04  796.120   51.443  793.460   51.610 2.659973 72.86948 
1 1 1   -1   -4    6 o  553.154   25.107  3882.72  346.815  3919.43  490.612  3846.05  490.328  550.120   35.910  544.741   36.252 5.378540 51.02714 
1 1 1   -1   -4    7 o  782.858   52.053  8310.71  1011.81  8310.71  1011.81   0.0000   0.0000  782.858   52.053  ?   ?  0.000000 52.05340 
1 1 1   -1   -4    8 o  265.706   14.575  890.125   96.338  836.503  136.297  943.662  136.189  256.076   21.513  272.425   20.162 -16.34918 29.48462 
1 1 1   -1   -4    9 o  336.612   16.982  1430.41  142.284  1390.47  201.327  1470.26  201.115  329.886   24.616  339.493   23.875 -9.606812 34.29232 
1 1 1   -1   -4   10 o  391.108   18.846  1926.48  184.063  1846.37  260.378  2006.50  260.230  380.075   27.623  396.673   26.422 -16.59821 38.22471 
1 1 1   -1   -4   11 o  496.786   22.834  3112.46  283.268  3028.71  400.714  3196.12  400.489  486.314   33.195  499.977   32.249 -13.66226 46.28035 
1 1 1   -1   -4   12 o  331.898   23.900  1395.16  196.761   0.0000   0.0000  1395.16  196.761  ?   ?   331.898   23.900 0.000000 23.90010 
1 1 1   -1   -4   13 o  691.177   30.496  6046.62  526.368  6176.58  745.021  5917.08  743.775  692.595   43.294  677.396   44.212 15.19818 61.87886 
1 1 1   -1   -4   14 o  618.866   27.625  4833.57  426.924  4730.32  603.936  4936.69  603.587  607.443   40.038  620.968   39.124 -13.52472 55.98013 
1 1 1   -1   -4   15 o  313.044   15.978  1231.14  124.485  1295.27  176.749  1168.02  175.357  320.215   22.242  303.824   23.290 16.39130 32.20430 
1 1 1   -1   -4   16 o  203.754   18.257  525.007   91.908   0.0000   0.0000  525.007   91.908  ?   ?   203.754   18.257 0.000000 18.25678 
1 1 1   -1   -4   17 o  715.983   45.914  6638.06  816.581  6638.06  816.581   0.0000   0.0000  715.983   45.914  ?   ?  0.000000 45.91360 
1 1 1   -1   -4   18 o  189.960   12.817  453.910   60.445  428.865   86.933  477.349   84.100  183.745   19.231  194.219   17.529 -10.47382 26.02119 
1 1 1   -1   -4   19 o  382.896   18.811  1844.19  179.868  1745.11  255.239  1941.94  253.514  369.852   27.840  390.737   26.132 -20.88553 38.18306 
1 1 1   -1   -4   20 o  526.360   23.837  3508.90  313.320  3676.69  444.404  3343.06  441.810  534.182   33.484  508.545   35.003 25.63660 48.43976 
1 1 1   -1   -4   21 o  122.658   11.676  190.316   35.331  203.858   53.656  179.950   46.945  126.017   17.525  118.491   16.297 7.525650 23.93115 
1 1 1   -1   -4   22 o  144.698   16.509  267.349   58.585   0.0000   0.0000  267.349   58.585  ?   ?   144.698   16.509 0.000000 16.50892 
1 1 1   -1   -4   23 o  518.778   24.241  3446.30  314.042  3335.80  445.270  3555.67  442.984  502.042   35.750  519.512   34.340 -17.46988 49.57118 
1 1 1   -1   -4   24 o  276.927   15.719  972.393  108.256  887.557  155.085  1053.01  151.183  261.863   23.983  286.431   21.289 -24.56750 32.06820 
1 1 1   -1   -4   25 o  268.722   15.827  917.215  105.735  771.152  151.557  1055.73  147.587  243.044   25.344  286.671   20.757 -43.62674 32.75932 
1 1 1   -1   -4   26 o  239.072   21.068  737.677  124.492  737.677  124.492   0.0000   0.0000  239.072   21.068  ?   ?  0.000000 21.06800 
1 1 1   -1   -4   27 o  218.069   14.202  603.735   76.919  547.572  112.277  653.407  105.589  205.149   22.274  225.494   18.926 -20.34497 29.22944 
1 1 1   -1   -4   28 o  249.234   13.428  786.981   83.266  706.665  106.287  914.593  133.975  234.672   18.281  266.353   20.295 -31.68050 27.31500 
1 1 1   -1   -4   29 o   93.014   13.252  111.433   29.911   90.951   47.590  124.808   38.456   82.561   22.478   97.850   16.313 -15.28994 27.77345 
1 1 1   -1   -4   30 f  381.549   16.128  1851.86  153.663  1844.84  192.596  1864.15  254.895  378.202   20.469  375.529   27.369 2.673157 34.17686 
1 1 1   -1   -4   31 o  108.066   16.526  152.069   43.181   10.572  115.828  174.909   46.536   77.502   33.287  116.055   16.524 -38.55363 37.16228 
1 1 1   -1   -4   32 o   49.049   15.570   30.206   21.423   30.100   48.913   30.231   23.831   59.052   23.013   49.753   16.471 9.298389 28.29975 
1 1 1   -1   -4   33 o  239.861   13.311  732.756   79.414  721.125  106.770  747.158  118.810  235.918   18.266  239.275   20.069 -3.357330 27.13697 
1 1 1   -1   -4   34 o   45.545   15.684   24.473   21.607 -44.6385   54.007   37.644   23.577   43.609   20.317   53.795   16.211 -10.18510 25.99157 
1 1 1   -1   -4   35 o  143.814   25.721  288.336   88.980  288.336   88.980   0.0000   0.0000  143.814   25.721  ?   ?  0.000000 25.72077 
1 1 1   -1   -4   36 o  101.037   14.080  134.023   34.560  151.296   64.756  127.143   40.868  102.697   25.393   97.129   17.493 5.568634 30.83516 
1 1 1   -1   -4   37 o   73.073   17.118   73.293   30.690 -17.7397   67.586   96.939   34.446   53.211   24.004   84.331   16.945 -31.11956 29.38259 
1 1 1   -1   -4   38 o   79.619   16.035   86.675   30.778   93.878   70.831   84.999   34.173   80.118   28.341   78.111   17.902 2.006676 33.52137 
1 1 1   -1   -4   39 o   76.115   29.282   81.554   78.402   81.554   78.402   0.0000   0.0000   76.115   29.282  ?   ?  0.000000 29.28153 
1 1 1   -1   -4   40 o  135.276   15.001  246.982   49.821  212.513   90.852  261.805   59.577  111.807   31.300  137.316   17.793 -25.51002 36.00413 
1 1 1   -1   -4   41 o   95.599   16.603  128.007   38.198  107.330   90.161  132.531   42.170   80.255   31.252   96.299   18.203 -16.04413 36.16719 
1 1 1   -1   -4   42 o   84.153   34.246  140.252  113.024  140.252  113.024   0.0000   0.0000   84.153   34.246  ?   ?  0.000000 34.24603 
1 1 1   -1   -3    1 o  601.641   26.847  4563.23  403.350  4596.62  570.482  4529.84  570.364  599.734   38.292  595.241   38.579 4.492920 54.35635 
1 1 1   -1   -3    2 o  334.060   16.659  1398.75  138.971  1421.06  196.580  1376.46  196.489  335.251   23.632  329.854   24.019 5.396881 33.69584 
1 1 1   -1   -3    3 o  612.742   27.324  4739.28  418.088  4692.30  591.229  4786.27  591.304  604.997   39.348  611.211   38.944 -6.213928 55.36107 
1 1 1   -1   -3    4 o   68.165   14.540   60.429   23.996   0.0000   0.0000   60.429   23.996  ?   ?    68.165   14.540 0.000000 14.54024 
1 1 1   -1   -3    5 o  340.105   16.913  1451.64  143.642  1450.35  203.194  1452.92  203.088  338.215   24.219  338.525   24.183 -0.3097229 34.22518 
1 1 1   -1   -3    6 o  603.393   27.079  4616.19  408.025  4601.21  577.079  4631.18  576.990  596.431   38.960  598.453   38.818 -2.022400 54.99760 
1 1 1   -1   -3    7 o  706.491   31.445  6393.04  554.756  6139.62  784.244  6646.85  784.844  681.032   46.390  710.327   44.470 -29.29443 64.26238 
1 1 1   -1   -3    8 o  398.622   18.937  2005.80  188.503  1804.60  266.343  2207.72  266.825  374.462   28.701  415.514   25.843 -41.05161 38.62173 
1 1 1   -1   -3    9 o  362.517   25.698  1682.99  231.126  1682.99  231.126   0.0000   0.0000  362.517   25.698  ?   ?  0.000000 25.69759 
1 1 1   -1   -3   10 o  402.474   19.285  2044.01  193.828  1979.31  274.183  2108.65  274.046  392.797   28.139  405.836   27.198 -13.03983 39.13505 
1 1 1   -1   -3   11 o  583.662   26.334  4320.93  383.827  4252.50  542.914  4389.32  542.714  572.989   38.161  582.521   37.508 -9.532227 53.50837 
1 1 1   -1   -3   12 o  284.163   15.185  1015.28  107.366  998.757  152.134  1031.69  151.546  280.784   21.870  285.484   21.413 -4.700073 30.60747 
1 1 1   -1   -3   13 o  675.298   29.934  5773.40  504.793  5610.42  713.925  5936.35  713.847  659.318   43.608  678.913   42.316 -19.59454 60.76444 
1 1 1   -1   -3   14 o  420.613   28.509  2244.45  297.680   0.0000   0.0000  2244.45  297.680  ?   ?   420.613   28.509 0.000000 28.50938 
1 1 1   -1   -3   15 o  943.656   41.172 11378.99  970.208 11010.67  1371.85 11747.55  1372.31  914.596   60.406  946.425   58.350 -31.82959 83.98549 
1 1 1   -1   -3   16 o  369.904   17.810  1716.01  164.516  1818.42  233.566  1615.18  231.766  379.207   24.802  357.028   26.178 22.17859 36.06113 
1 1 1   -1   -3   17 o  293.839   15.433  1084.78  112.844  1130.02  160.502  1040.56  158.684  299.044   21.639  286.784   22.334 12.26007 31.09749 
1 1 1   -1   -3   18 o  269.723   21.317  920.580  142.410  920.580  142.410   0.0000   0.0000  269.723   21.317  ?   ?  0.000000 21.31704 
1 1 1   -1   -3   19 o  433.258   20.579  2362.08  222.645  2255.63  315.514  2467.67  314.224  420.466   30.252  440.326   28.734 -19.85992 41.72323 
1 1 1   -1   -3   20 o  305.847   15.725  1177.38  119.694  1248.33  170.936  1109.12  167.659  313.790   21.953  295.483   22.901 18.30649 31.72319 
1 1 1   -1   -3   21 o  546.734   25.102  3794.60  342.712  3642.53  485.442  3945.71  483.897  529.478   36.946  552.102   35.282 -22.62384 51.08691 
1 1 1   -1   -3   22 o  379.090   18.333  1813.57  173.552  1884.38  247.029  1744.55  243.880  383.571   25.943  368.742   26.665 14.82852 37.20263 
1 1 1   -1   -3   23 o  433.288   29.803  2434.18  320.509   0.0000   0.0000  2434.18  320.509  ?   ?   433.288   29.803 0.000000 29.80315 
1 1 1   -1   -3   24 o  368.231   18.885  1724.57  173.075  1540.60  246.114  1904.55  243.438  343.743   28.941  384.176   25.520 -40.43289 38.58574 
1 1 1   -1   -3   25 f  281.344   15.695  1003.80  109.831  955.466  157.517  1049.54  153.222  271.903   23.427  285.756   21.632 -13.85303 31.88730 
1 1 1   -1   -3   26 o   98.762   13.146  125.063   31.615   80.987   50.041  154.344   40.787   78.783   23.589  109.441   15.346 -30.65773 28.14167 
1 1 1   -1   -3   27 o  148.497   12.649  279.910   46.459  264.515   70.544  291.702   61.738  142.458   20.414  150.729   16.682 -8.270157 26.36283 
1 1 1   -1   -3   28 o  152.327   13.483  295.228   50.759  221.715   76.881  352.035   67.583  128.834   24.797  165.714   16.553 -36.87906 29.81391 
1 1 1   -1   -3   29 o  364.743   18.734  1703.20  170.063  1656.56  243.974  1747.28  237.181  354.519   27.781  365.208   26.181 -10.68912 38.17315 
1 1 1   -1   -3   30 o  214.143   13.060  581.301   69.505  520.190   91.535  664.516  106.815  201.010   18.441  227.182   19.003 -26.17195 26.47972 
1 1 1   -1   -3   31 o  213.806   12.933  579.696   68.724  536.830   91.511  635.143  104.077  204.192   18.135  221.929   18.962 -17.73695 26.23825 
1 1 1   -1   -3   32 o   78.005   16.894   80.522   31.956  -5.2784  118.098   87.301   33.194   75.650   33.043   81.284   16.904 -5.633766 37.11584 
1 1 1   -1   -3   33 o  193.953   13.132  478.771   63.228  455.723   88.822  502.448   90.025  187.171   19.279  196.910   18.526 -9.739868 26.73773 
1 1 1   -1   -3   34 o   81.261   15.537   87.083   30.379   43.933   58.974  102.670   35.444   66.487   25.439   88.099   16.723 -21.61208 30.44295 
1 1 1   -1   -3   35 o  213.242   13.771  583.090   72.941  534.237  100.938  636.483  105.524  200.954   20.397  220.061   19.401 -19.10667 28.15035 
1 1 1   -1   -3   36 o  141.635   27.078  284.182   92.281  284.182   92.281   0.0000   0.0000  141.635   27.078  ?   ?  0.000000 27.07798 
1 1 1   -1   -3   37 o   76.810   16.255   79.777   30.207   50.198   66.375   87.504   33.923   68.485   26.774   80.146   17.445 -11.66117 31.95620 
1 1 1   -1   -3   38 o   84.417   17.616   97.955   35.935   0.0000   0.0000   97.955   35.935  ?   ?    84.417   17.616 0.000000 17.61601 
1 1 1   -1   -3   39 o   18.537   8.9564 -19.5575   12.562   8.2896   69.108 -20.5090   12.775   57.839   25.269   18.534   8.9734 39.30506 26.81542 
1 1 1   -1   -3   40 o   92.943   17.088  119.622   38.198  247.349  166.332  112.510   39.247  109.029   42.451   89.521   18.177 19.50816 46.17893 
1 1 1   -1   -3   41 o   60.582   17.257   51.773   27.369   48.040   81.037   52.254   29.077   67.372   28.342   60.778   17.930 6.593777 33.53743 
1 1 1   -1   -3   42 o   36.474   14.779   9.8536   20.946   28.480   87.096   8.7102   21.579   63.503   28.035   36.344   14.897 27.15868 31.74673 
1 1 1   -1   -3   43 o   66.560   30.445   32.626  113.447   32.626  113.447   0.0000   0.0000   66.560   30.445  ?   ?  0.000000 30.44490 
1 1 1   -1   -2    1 o  379.987   18.234  1810.55  173.025  1897.02  244.823  1724.27  244.567  387.361   25.451  368.984   26.723 18.37683 36.90394 
1 1 1   -1   -2    2 o  461.492   21.344  2675.20  245.975  2707.45  347.917  2642.97  347.805  461.903   30.332  456.256   30.705 5.647034 43.16026 
1 1 1   -1   -2    3 o  175.358   11.821  386.421   51.461  372.275   72.774  400.569   72.781  171.471   17.229  178.019   16.562 -6.547668 23.89820 
1 1 1   -1   -2    4 o  508.693   23.172  3256.31  294.351  3325.35  416.406  3187.35  416.144  511.065   32.801  500.092   33.517 10.97284 46.89661 
1 1 1   -1   -2    5 o  664.743   42.652  5698.56  704.286   0.0000   0.0000  5698.56  704.286  ?   ?   664.743   42.652 0.000000 42.65231 
1 1 1   -1   -2    6 o  117.665   10.668  174.638   31.005  157.018   43.858  192.241   43.836  110.698   16.358  122.999   14.554 -12.30080 21.89553 
1 1 1   -1   -2    7 o  530.111   24.096  3553.16  318.978  3414.87  450.954  3691.62  451.251  514.923   35.283  536.096   33.882 -21.17334 48.91692 
1 1 1   -1   -2    8 o  111.996   10.693  158.516   29.543  148.876   41.894  168.051   41.666  107.662   16.075  114.727   14.895 -7.064720 21.91499 
1 1 1   -1   -2    9 o  338.034   16.893  1439.37  142.601  1342.76  201.623  1536.06  201.714  323.861   25.127  347.059   23.411 -23.19867 34.34340 
1 1 1   -1   -2   10 o  429.468   29.370  2374.10  313.095  2374.10  313.095   0.0000   0.0000  429.468   29.370  ?   ?  0.000000 29.37032 
1 1 1   -1   -2   11 o  299.142   15.690  1127.66  116.795  1083.00  165.275  1172.21  165.070  291.629   22.878  303.710   21.912 -12.08084 31.67908 
1 1 1   -1   -2   12 o  193.523   12.528  471.093   60.218  443.289   85.403  498.585   84.923  186.852   18.548  198.468   17.308 -11.61617 25.36947 
1 1 1   -1   -2   13 o  342.091   17.093  1468.33  146.020  1402.10  206.692  1534.32  206.316  332.440   25.082  348.093   23.879 -15.65237 34.63157 
1 1 1   -1   -2   14 o  631.231   28.114  5033.27  443.162  4837.83  626.720  5228.72  626.731  613.547   41.143  638.654   39.491 -25.10706 57.02906 
1 1 1   -1   -2   15 o  161.687   16.752  331.162   66.659   0.0000   0.0000  331.162   66.659  ?   ?   161.687   16.752 0.000000 16.75246 
1 1 1   -1   -2   16 o  488.094   32.305  3029.50  391.521  3029.50  391.521   0.0000   0.0000  488.094   32.305  ?   ?  0.000000 32.30452 
1 1 1   -1   -2   17 o  262.414   14.635  865.036   95.523  838.166  135.758  891.384  134.430  257.410   21.312  265.647   20.421 -8.236481 29.51616 
1 1 1   -1   -2   18 o  816.849   35.838  8490.95  731.029  8496.28  1034.40  8485.63  1033.26  807.578   51.562  807.087   51.536 0.4911499 72.90108 
1 1 1   -1   -2   19 o  603.568   26.997  4603.68  406.910  4676.52  576.319  4531.27  574.600  603.497   38.442  593.791   38.967 9.705811 54.73766 
1 1 1   -1   -2   20 o  607.543   39.572  4766.97  597.084  4766.97  597.084   0.0000   0.0000  607.543   39.572  ?   ?  0.000000 39.57166 
1 1 1   -1   -2   21 f  295.851   15.951  1102.48  117.411  1035.74  167.184  1167.44  164.927  285.211   23.688  303.321   21.922 -18.10971 32.27498 
1 1 1   -1   -2   22 o  177.684   12.302  397.743   54.248  423.451   79.438  375.277   74.259  182.533   17.648  171.753   17.561 10.78046 24.89645 
1 1 1   -1   -2   23 o  373.829   18.243  1764.52  170.301  1810.42  242.533  1719.88  239.187  375.673   26.013  365.989   26.347 9.684174 37.02501 
1 1 1   -1   -2   24 o  327.035   17.466  1355.57  142.127  1239.42  203.241  1466.74  198.827  309.644   26.541  338.149   23.696 -28.50531 35.57952 
1 1 1   -1   -2   25 o  189.869   12.723  455.531   59.977  482.311   88.587  432.867   81.496  194.150   18.495  183.968   17.969 10.18134 25.78689 
1 1 1   -1   -2   26 o  129.386   12.079  212.411   38.576  227.714   60.529  201.944   50.059  132.581   18.810  125.277   16.395 7.303978 24.95186 
1 1 1   -1   -2   27 o  145.469   12.779  268.639   45.951  238.075   69.974  291.813   60.930  134.797   21.511  150.881   16.437 -16.08376 27.07206 
1 1 1   -1   -2   28 o  136.560   12.531  236.943   42.256  236.392   66.200  237.322   54.894  134.553   20.337  135.814   16.526 -1.261292 26.20489 
1 1 1   -1   -2   29 o  371.673   27.571  1814.94  254.077  1814.94  254.077   0.0000   0.0000  371.673   27.571  ?   ?  0.000000 27.57143 
1 1 1   -1   -2   30 o  129.059   12.704  212.105   40.414  222.807   66.454  205.824   50.910  130.179   21.170  126.259   16.545 3.920486 26.86810 
1 1 1   -1   -2   31 o  291.756   14.351  1077.74  104.554  1017.46  133.801  1172.26  167.549  281.361   19.157  300.517   22.490 -19.15677 29.54306 
1 1 1   -1   -2   32 o   94.248   13.863  114.748   31.653  100.683   53.698  122.238   39.184   86.640   23.996   96.635   16.850 -9.995461 29.32149 
1 1 1   -1   -2   33 o  144.653   15.870  269.437   56.385  184.126  134.035  287.781   62.152  115.895   39.075  149.232   16.980 -33.33721 42.60535 
1 1 1   -1   -2   34 o  172.856   13.080  380.841   56.040  357.960   81.901  400.985   76.847  165.209   20.278  175.931   17.734 -10.72191 26.93814 
1 1 1   -1   -2   35 o  234.975   13.804  705.619   80.641  670.070  109.580  747.613  119.100  226.350   19.579  238.852   20.156 -12.50195 28.10018 
1 1 1   -1   -2   36 o   84.489   15.297   94.403   31.087   92.569   64.369   94.961   35.501   82.726   27.055   84.138   17.468 -1.412682 32.20444 
1 1 1   -1   -2   37 o  220.379   25.338  673.570  136.904  673.570  136.904   0.0000   0.0000  220.379   25.338  ?   ?  0.000000 25.33792 
1 1 1   -1   -2   38 o  165.391   13.396  355.343   54.852  403.932   89.628  326.247   69.357  171.529   21.389  155.947   18.149 15.58157 28.05180 
1 1 1   -1   -2   39 o   64.427   16.573   57.070   26.817   64.193   70.077   55.848   29.027   71.899   27.677   63.619   17.651 8.280544 32.82595 
1 1 1   -1   -2   40 o  145.070   14.441  279.261   51.619  259.607   89.354  289.106   63.238  129.615   28.392  145.497   17.775 -15.88268 33.49681 
1 1 1   -1   -2   41 o   73.057   17.778   75.359   32.127   46.117  167.867   76.470   32.732   80.909   37.018   73.524   17.978 7.385025 41.15234 
1 1 1   -1   -2   42 o   42.180   15.761   19.852   22.331   16.084   87.687   20.114   23.093   62.558   27.847   42.625   16.008 19.93304 32.12002 
1 1 1   -1   -2   43 o  115.809   16.027  186.474   45.108  193.153  103.276  184.900   50.144   99.159   34.280  113.646   18.290 -14.48711 38.85384 
1 1 1   -1   -1    1 o  883.408   56.019 10165.28  1229.41 10165.28  1229.41   0.0000   0.0000  883.408   56.019  ?   ?  0.000000 56.01917 
1 1 1   -1   -1    2 o  526.172   23.843  3481.95  313.289  3517.76  443.115  3446.16  443.001  525.888   33.923  520.385   34.282 5.503540 48.22905 
1 1 1   -1   -1    3 o  371.729   17.983  1732.71  166.930  1677.79  235.987  1787.70  236.163  364.021   26.134  375.973   25.301 -11.95248 36.37503 
1 1 1   -1   -1    4 o  564.365   25.357  4012.17  357.355  4087.08  505.514  3937.34  505.239  566.022   35.951  555.286   36.642 10.73553 51.33301 
1 1 1   -1   -1    5 o  157.830   11.431  313.258   44.749  302.071   63.304  324.431   63.264  154.331   16.692  160.097   16.040 -5.765488 23.14943 
1 1 1   -1   -1    6 o  735.263   47.086  7021.95  860.007   0.0000   0.0000  7021.95  860.007  ?   ?   735.263   47.086 0.000000 47.08650 
1 1 1   -1   -1    7 o  257.476   14.239  833.452   91.198  809.490  128.995  857.398  128.953  252.779   20.615  260.309   19.990 -7.529404 28.71560 
1 1 1   -1   -1    8 f  489.292   22.531  3025.00  275.294  2925.65  389.249  3124.42  389.401  476.973   32.881  493.447   31.770 -16.47379 45.72202 
1 1 1   -1   -1    9 f  264.871   14.497  883.855   95.522  808.009  135.066  959.753  135.112  251.794   21.692  275.011   19.807 -23.21692 29.37457 
1 1 1   -1   -1   10 o  565.724   25.685  4078.44  362.859  3916.00  513.004  4241.07  513.318  546.821   37.801  570.216   36.237 -23.39545 52.36441 
1 1 1   -1   -1   11 o  315.875   23.275  1272.06  182.302  1272.06  182.302   0.0000   0.0000  315.875   23.275  ?   ?  0.000000 23.27533 
1 1 1   -1   -1   12 o  295.005   15.555  1095.93  114.183  1028.32  161.554  1163.41  161.405  284.297   22.952  302.839   21.482 -18.54233 31.43676 
1 1 1   -1   -1   13 o  746.176   32.919  7092.46  613.391  6782.63  867.217  7402.65  867.716  719.976   48.518  753.792   46.322 -33.81665 67.07935 
1 1 1   -1   -1   14 o  186.413   12.504  436.888   57.872  389.328   82.234  483.555   81.458  175.060   19.122  195.648   16.837 -20.58742 25.47810 
1 1 1   -1   -1   15 o  418.847   19.879  2202.69  207.921  2078.40  294.210  2326.70  293.879  404.518   29.324  428.512   27.610 -23.99353 40.27718 
1 1 1   -1   -1   16 o  618.782   39.756  4901.65  611.067   0.0000   0.0000  4901.65  611.067  ?   ?   618.782   39.756 0.000000 39.75628 
1 1 1   -1   -1   17 o  388.424   18.743  1892.75  181.799  1878.11  257.581  1907.29  256.628  385.033   26.960  388.090   26.642 -3.057678 37.90242 
1 1 1   -1   -1   18 o  655.381   29.113  5427.24  476.460  5133.77  673.860  5720.63  673.773  631.683   42.974  668.005   40.583 -36.32239 59.10822 
1 1 1   -1   -1   19 o  201.450   12.961  510.099   64.853  502.121   93.163  517.599   90.335  199.100   18.967  202.304   18.072 -3.204559 26.19807 
1 1 1   -1   -1   20 o  711.729   31.490  6434.31  559.681  5933.38  791.422  6935.46  791.595  674.861   47.260  732.139   43.492 -57.27814 64.22685 
1 1 1   -1   -1   21 o  191.197   18.697  464.047   88.126  464.047   88.126   0.0000   0.0000  191.197   18.697  ?   ?  0.000000 18.69663 
1 1 1   -1   -1   22 o  187.520   12.798  442.868   59.572  434.265   86.542  450.616   82.127  184.711   19.035  188.436   17.659 -3.724426 25.96477 
1 1 1   -1   -1   23 o  331.976   16.752  1391.09  138.424  1448.95  197.691  1335.43  193.888  337.053   23.637  323.353   24.187 13.70029 33.81894 
1 1 1   -1   -1   24 o  161.958   12.439  331.248   49.924  321.813   73.870  339.180   67.734  158.413   19.056  163.137   16.870 -4.724091 25.45068 
1 1 1   -1   -1   25 o  170.705   12.142  367.945   51.423  411.358   76.950  332.913   69.124  179.549   17.380  161.342   17.434 18.20706 24.61696 
1 1 1   -1   -1   26 o  387.407   27.414  1951.09  263.499   0.0000   0.0000  1951.09  263.499  ?   ?   387.407   27.414 0.000000 27.41409 
1 1 1   -1   -1   27 o   83.766   13.043   90.445   26.396   90.673   44.952   90.325   32.610   82.683   21.552   83.078   16.301 -0.3947983 27.02189 
1 1 1   -1   -1   28 o   99.700   12.788  127.255   31.105  122.710   52.076  129.777   38.784   95.965   22.176  100.019   16.072 -4.053955 27.38779 
1 1 1   -1   -1   29 o   52.456   14.888   35.702   20.408   14.101   41.928   42.408   23.362   51.238   20.856   57.011   15.841 -5.772816 26.18967 
1 1 1   -1   -1   30 o  122.518   21.870  198.268   64.456  198.268   64.456   0.0000   0.0000  122.518   21.870  ?   ?  0.000000 21.86988 
1 1 1   -1   -1   31 o  244.820   14.733  761.503   89.649  764.641  132.803  758.876  121.514  242.729   22.154  242.558   20.246 0.1704559 30.01191 
1 1 1   -1   -1   32 o  209.899   14.403  560.420   75.037  516.894  113.463  594.255  100.038  198.595   23.323  214.801   18.840 -16.20580 29.98184 
1 1 1   -1   -1   33 o  240.847   13.631  736.395   81.647  701.362  108.529  782.076  123.929  233.308   18.787  245.790   20.375 -12.48193 27.71451 
1 1 1   -1   -1   34 o   54.295   16.485   37.891   24.313  132.567  122.575   34.014   24.806  102.711   37.171   52.179   16.775 50.53271 40.78086 
1 1 1   -1   -1   35 o  133.699   14.137  229.767   46.484  154.435   73.684  279.569   59.911  105.551   27.631  146.873   16.628 -41.32182 32.24853 
1 1 1   -1   -1   36 o  180.898   13.690  419.509   61.384  381.257   91.087  451.333   83.084  168.917   22.126  185.902   18.128 -16.98506 28.60368 
1 1 1   -1   -1   37 o  229.450   14.679  679.439   83.667  600.630  116.322  763.915  120.432  211.185   22.399  239.898   20.293 -28.71332 30.22485 
1 1 1   -1   -1   38 o   96.014   30.516  135.523   82.271  135.523   82.271   0.0000   0.0000   96.014   30.516  ?   ?  0.000000 30.51567 
1 1 1   -1   -1   39 o  108.508   14.802  155.952   39.061  140.101   75.689  161.706   45.602   96.402   29.044  109.452   17.256 -13.05008 33.78385 
1 1 1   -1   -1   40 o  175.793   14.060  406.099   61.205  417.216   98.838  399.184   77.948  170.696   23.838  171.227   18.525 -0.5308533 30.18975 
1 1 1   -1   -1   41 o   57.828   16.957   46.053   26.075   28.227   80.666   48.133   27.554   64.787   27.801   59.028   17.466 5.758858 32.83191 
1 1 1   -1   -1   42 o   86.573   17.635  105.211   36.830   99.054  175.622  105.494   37.668   86.660   38.930   86.492   18.024 0.1674652 42.90057 
1 1 1   -1   -1   43 o   55.107   17.275   42.314   26.447   50.544   96.016   41.639   27.511   69.627   30.107   54.817   17.670 14.81017 34.90907 
1 1 1   -1   -1   44 o   63.793   17.632   59.175   29.024  156.873  102.767   50.707   30.256   89.315   33.721   59.169   18.466 30.14597 38.44621 
1 1 1   -1    0    1 o  660.120   28.880  5497.59  476.064  5073.26  672.620  5923.52  673.893  628.797   43.096  680.971   39.802 -52.17395 58.66409 
1 1 1   -1    0    2 o  156.146   16.232  308.710   62.369  308.710   62.369   0.0000   0.0000  156.146   16.232  ?   ?  0.000000 16.23247 
1 1 1   -1    0    3 o   85.418   10.141   92.503   21.208   86.555   29.980   98.460   30.006   81.832   15.231   87.575   14.207 -5.742668 20.82890 
1 1 1   -1    0    4 o  220.549   13.067  610.852   71.649  607.158  101.332  614.545  101.320  219.218   18.689  220.574   18.567 -1.355667 26.34441 
1 1 1   -1    0    5 o  986.493   43.070 12470.89  1061.02 12551.75  1500.67 12390.06  1500.36  974.761   61.972  968.080   62.395 6.681213 87.94165 
1 1 1   -1    0    6 o  557.804   25.140  3922.69  350.181  3950.74  495.315  3894.66  495.147  555.948   35.869  551.880   36.128 4.067566 50.90988 
1 1 1   -1    0    7 o  297.248   22.161  1118.64  163.317   0.0000   0.0000  1118.64  163.317  ?   ?   297.248   22.161 0.000000 22.16127 
1 1 1   -1    0    8 o  817.990   36.122  8580.72  737.852  8583.17  1043.56  8578.26  1043.40  805.266   52.176  805.028   52.184 0.2384033 73.79350 
1 1 1   -1    0    9 o  393.330   18.909  1949.58  185.726  1896.84  262.677  2002.30  262.634  385.090   27.496  395.959   26.718 -10.86862 38.33898 
1 1 1   -1    0   10 o  291.209   15.423  1069.37  111.760  1031.89  158.151  1106.75  157.954  284.478   22.445  294.896   21.599 -10.41779 31.14962 
1 1 1   -1    0   11 o  793.682   35.509  8168.40  703.775  8151.65  995.433  8185.15  995.143  775.643   51.688  777.398   51.554 -1.755188 73.00356 
1 1 1   -1    0   12 o  163.483   16.902  339.744   68.006  339.744   68.006   0.0000   0.0000  163.483   16.902  ?   ?  0.000000 16.90195 
1 1 1   -1    0   13 o  570.498   25.758  4120.43  366.954  3963.75  518.901  4277.17  519.000  554.038   37.730  576.339   36.246 -22.30182 52.31936 
1 1 1   -1    0   14 o  1247.25   83.727 21758.31  2592.66   0.0000   0.0000 21758.31  2592.66  ?   ?   1247.25   83.727 0.000000 83.72722 
1 1 1   -1    0   15 o  288.821   21.954  1054.79  157.159  1054.79  157.159   0.0000   0.0000  288.821   21.954  ?   ?  0.000000 21.95445 
1 1 1   -1    0   16 o  361.424   17.799  1638.02  160.641  1579.17  227.489  1696.55  226.875  353.091   25.983  366.241   24.955 -13.15082 36.02602 
1 1 1   -1    0   17 o  640.327   41.025  5253.76  652.538   0.0000   0.0000  5253.76  652.538  ?   ?   640.327   41.025 0.000000 41.02452 
1 1 1   -1    0   18 o  534.918   24.127  3600.96  322.290  3725.63  456.734  3477.32  454.845  541.002   33.980  522.261   35.079 18.74023 48.83873 
1 1 1   -1    0   19 o  1198.43   52.657 18651.90  1575.87 18230.05  2228.67 19073.70  2228.56  1157.08   77.581  1186.05   75.638 -28.97363 108.3507 
1 1 1   -1    0   20 o  590.557   26.673  4404.26  393.359  4120.07  556.729  4687.57  555.860  566.066   39.635  605.070   36.966 -39.00433 54.19744 
1 1 1   -1    0   21 o  333.999   16.988  1403.95  141.226  1401.42  201.012  1406.42  198.460  332.314   24.393  332.989   24.028 -0.6752625 34.24003 
1 1 1   -1    0   22 o  157.223   18.127  314.940   69.866  314.940   69.866   0.0000   0.0000  157.223   18.127  ?   ?  0.000000 18.12724 
1 1 1   -1    0   23 o  366.267   18.028  1689.68  164.894  1705.83  234.704  1673.94  231.716  365.470   25.884  362.050   25.798 3.419678 36.54500 
1 1 1   -1    0   24 o  131.364   12.376  218.424   40.120  183.877   59.967  246.417   53.980  118.822   20.977  139.043   15.829 -20.22158 26.27898 
1 1 1   -1    0   25 o  182.548   13.124  420.978   59.426  378.147   86.884  458.629   81.461  171.426   20.716  189.779   17.382 -18.35321 27.04269 
1 1 1   -1    0   26 o  348.234   18.184  1540.69  157.584  1397.04  224.593  1679.98  221.162  327.832   27.693  361.115   24.673 -33.28323 37.09017 
1 1 1   -1    0   27 o  249.030   20.341  795.346  125.392   0.0000   0.0000  795.346  125.392  ?   ?   249.030   20.341 0.000000 20.34115 
1 1 1   -1    0   28 o  318.353   17.472  1289.99  138.373  1135.94  198.189  1436.50  193.281  294.667   27.242  333.562   23.351 -38.89523 35.88054 
1 1 1   -1    0   29 o  171.573   12.119  372.434   51.589  449.195   79.457  316.496   67.830  187.355   17.174  156.894   17.617 30.46042 24.60326 
1 1 1   -1    0   30 o  204.830   13.643  531.936   69.385  530.821  103.733  532.839   93.339  202.608   20.798  203.707   18.552 -1.098770 27.86962 
1 1 1   -1    0   31 o  200.055   21.029  518.536  103.485  518.536  103.485   0.0000   0.0000  200.055   21.029  ?   ?  0.000000 21.02932 
1 1 1   -1    0   32 o  451.039   21.292  2615.02  239.820  2739.40  343.899  2497.28  334.606  454.010   30.510  432.842   31.165 21.16837 43.61358 
1 1 1   -1    0   33 o  142.538   13.629  259.187   47.921  241.031   80.951  268.983   59.459  134.122   25.092  144.457   16.796 -10.33450 30.19480 
1 1 1   -1    0   34 o   50.916   15.720   32.949   21.995   78.951   54.166   23.866   24.068   78.042   24.756   46.435   16.510 31.60703 29.75665 
1 1 1   -1    0   35 o  224.444   13.554  641.018   75.609  612.280  103.809  673.488  110.345  217.239   19.338  227.803   19.588 -10.56424 27.52526 
1 1 1   -1    0   36 o  144.024   16.525  269.277   58.357  114.152  147.524  298.055   63.540  101.023   39.789  151.412   17.105 -50.38913 43.30962 
1 1 1   -1    0   37 o  203.672   19.054  544.984   95.782   0.0000   0.0000  544.984   95.782  ?   ?   203.672   19.054 0.000000 19.05365 
1 1 1   -1    0   38 o  101.733   14.800  135.917   36.497  134.877   72.590  136.269   42.222   96.847   28.262  100.980   17.370 -4.133324 33.17308 
1 1 1   -1    0   39 o   22.602   10.476 -11.6259   14.074 -115.6345   66.072  -6.6827   14.404   39.971   19.583   24.717   11.122 15.25397 22.52151 
1 1 1   -1    0   40 o  182.967   23.718  473.156  105.819  473.156  105.819   0.0000   0.0000  182.967   23.718  ?   ?  0.000000 23.71811 
1 1 1   -1    0   41 o  114.220   14.661  173.780   40.853  213.924   86.869  162.380   46.291  116.778   29.716  108.892   17.626 7.885475 34.54974 
1 1 1   -1    0   42 o   62.944   17.269   55.311   27.963   37.625   84.680   57.476   29.625   67.344   28.680   64.032   17.855 3.311485 33.78346 
1 1 1   -1    0   43 o   39.960   15.341   16.021   21.494   73.079   99.341   13.218   22.015   75.383   31.526   38.878   15.352 36.50508 35.06503 
1 1 1   -1    0   44 o   45.145   16.314   25.028   23.598  -7.2398  102.217   26.845   24.253   61.676   28.461   46.288   16.561 15.38788 32.92869 
1 1 1   -1    1    1 o  175.769   11.805  388.160   51.514  391.136   72.858  385.184   72.847  175.888   16.792  174.515   16.929 1.373077 23.84424 
1 1 1   -1    1    2 o  334.379   16.665  1400.95  139.157  1415.89  196.812  1386.01  196.782  334.740   23.698  331.129   23.960 3.610413 33.69949 
1 1 1   -1    1    3 o  115.707   6.9269  167.865   19.923  161.837   28.165  173.901   28.185  113.331   10.056  117.547   9.6882 -4.216049 13.96392 
1 1 1   -1    1    4 o  552.333   24.885  3840.31  343.233  3805.92  485.359  3874.72  485.452  546.386   35.770  551.424   35.442 -5.037781 50.35478 
1 1 1   -1    1    5 o  187.667   12.163  442.479   56.694  435.292   80.192  449.662   80.164  185.506   17.518  188.611   17.210 -3.105011 24.55739 
1 1 1   -1    1    6 o   64.797   10.333   53.812   16.158   49.899   22.852   57.725   22.850   61.883   14.954   66.637   14.168 -4.754211 20.59956 
1 1 1   -1    1    7 o  991.600   43.497 12662.65  1077.07 12726.98  1523.35 12598.34  1523.06  976.511   62.803  971.212   63.142 5.299561 89.05714 
1 1 1   -1    1    8 o  424.263   28.779  2293.21  303.098   0.0000   0.0000  2293.21  303.098  ?   ?   424.263   28.779 0.000000 28.77890 
1 1 1   -1    1    9 o  297.079   15.559  1111.28  115.023  1116.10  162.805  1106.47  162.529  296.457   22.152  295.155   22.214 1.302277 31.37123 
1 1 1   -1    1   10 o  600.892   27.137  4603.91  407.208  4565.24  575.938  4642.57  575.821  590.568   39.277  595.816   38.915 -5.247864 55.29075 
1 1 1   -1    1   11 o  348.200   17.304  1527.80  150.458  1511.82  212.913  1543.75  212.648  343.827   24.968  347.557   24.661 -3.729889 35.09375 
1 1 1   -1    1   12 o  161.521   11.773  328.750   47.160  281.167   66.829  375.951   66.561  148.236   18.453  172.228   15.647 -23.99231 24.19388 
1 1 1   -1    1   13 o  321.773   16.393  1304.10  131.286  1161.05  185.571  1447.45  185.761  301.819   24.842  337.873   22.139 -36.05353 33.27551 
1 1 1   -1    1   14 o  603.544   39.141  4691.58  586.733  4691.58  586.733   0.0000   0.0000  603.544   39.141  ?   ?  0.000000 39.14084 
1 1 1   -1    1   15 o  917.075   40.129 10756.96  919.008 10525.92  1299.59 10988.07  1299.75  893.641   58.560  914.193   57.222 -20.55176 81.87593 
1 1 1   -1    1   16 o  307.494   15.790  1187.72  120.835  1261.43  171.403  1114.88  170.376  316.072   21.850  296.838   23.168 19.23349 31.84641 
1 1 1   -1    1   17 o  1010.36   44.070 13073.00  1111.91 12875.75  1572.54 13270.22  1572.40  987.286   64.131  1003.23   63.086 -15.94391 89.95867 
1 1 1   -1    1   18 o  640.410   28.510  5175.90  455.933  5075.53  645.161  5276.04  644.413  629.250   41.287  641.955   40.405 -12.70520 57.76776 
1 1 1   -1    1   19 o  595.841   38.426  4540.88  568.700   0.0000   0.0000  4540.88  568.700  ?   ?   595.841   38.426 0.000000 38.42587 
1 1 1   -1    1   20 o  1120.50   49.029 16243.03  1371.89 15386.70  1939.40 17100.66  1940.87  1065.94   73.305  1128.70   69.194 -62.75366 100.8040 
1 1 1   -1    1   21 o  605.648   27.167  4637.83  410.877  4641.44  581.982  4634.24  580.159  600.758   39.005  600.333   38.909 0.4243164 55.09319 
1 1 1   -1    1   22 o  312.759   15.987  1230.87  124.446  1299.38  177.698  1164.93  174.335  320.209   22.363  302.928   23.223 17.28107 32.23988 
1 1 1   -1    1   23 o  271.174   21.703  934.438  145.737  934.438  145.737   0.0000   0.0000  271.174   21.703  ?   ?  0.000000 21.70327 
1 1 1   -1    1   24 o  266.770   14.909  897.115   98.922  891.035  141.812  902.877  138.056  264.474   21.662  266.411   20.920 -1.937408 30.11476 
1 1 1   -1    1   25 o  192.475   12.953  467.369   61.898  466.460   90.512  468.167   84.836  191.115   19.226  191.744   17.926 -0.6292725 26.28651 
1 1 1   -1    1   26 o  519.432   24.154  3450.56  313.303  3427.95  444.802  3472.82  441.371  510.013   35.139  513.761   34.604 -3.747803 49.31758 
1 1 1   -1    1   27 o  132.705   12.611  223.490   41.289  192.902   63.066  246.434   54.622  121.256   21.621  138.753   16.061 -17.49659 26.93352 
1 1 1   -1    1   28 o  253.389   20.555  824.127  128.940   0.0000   0.0000  824.127  128.940  ?   ?   253.389   20.555 0.000000 20.55459 
1 1 1   -1    1   29 o  120.374   12.357  184.298   36.616  200.118   59.838  174.829   46.296  123.771   20.045  116.388   16.382 7.382607 25.88824 
1 1 1   -1    1   30 o  382.377   19.268  1868.96  183.393  1835.40  262.892  1900.77  255.961  373.923   28.366  381.390   27.051 -7.466919 39.19643 
1 1 1   -1    1   31 o   96.187   12.882  118.673   30.166  162.642   55.707  100.430   35.882  111.012   20.861   87.495   17.035 23.51682 26.93280 
1 1 1   -1    1   32 o  431.524   21.200  2390.05  228.446  2329.31  326.779  2448.10  319.488  418.219   31.521  430.103   29.933 -11.88412 43.46911 
1 1 1   -1    1   33 o  266.826   15.280  905.402  101.387  939.315  150.428  877.173  137.242  268.944   22.608  260.409   21.291 8.535004 31.05528 
1 1 1   -1    1   34 o  260.486   15.306  863.997   99.126  885.755  148.877  846.670  132.857  260.579   23.119  255.686   20.993 4.893097 31.22830 
1 1 1   -1    1   35 o  179.603   13.700  410.928   60.983  445.874  100.690  390.684   76.637  184.230   22.344  173.877   17.906 10.35277 28.63344 
1 1 1   -1    1   36 o  226.181   12.586  649.818   70.805  760.385  101.462  544.856   98.856  243.153   16.813  204.537   19.594 38.61595 25.81892 
1 1 1   -1    1   37 o  160.591   16.644  334.930   65.777  210.861  160.811  359.858   72.082  120.167   42.682  166.130   17.645 -45.96375 46.18518 
1 1 1   -1    1   38 o   79.007   15.882   83.180   30.248   70.026   67.972   86.429   33.777   75.822   27.643   80.179   17.372 -4.357590 32.64846 
1 1 1   -1    1   39 o  174.965   13.749  396.071   59.586  397.531   94.074  395.093   77.002  170.392   22.672  172.564   18.141 -2.172211 29.03595 
1 1 1   -1    1   40 o  129.509   13.891  219.437   44.224  267.431   83.592  200.783   52.114  136.516   25.457  122.176   17.588 14.34006 30.94178 
1 1 1   -1    1   41 o  133.306   33.642  287.188  111.993  287.188  111.993   0.0000   0.0000  133.306   33.642  ?   ?  0.000000 33.64158 
1 1 1   -1    1   42 o  106.267   16.163  152.980   41.538   80.606   90.805  172.133   46.712   78.235   31.088  112.279   17.209 -34.04381 35.53337 
1 1 1   -1    1   43 o   31.484   13.321   2.3523   18.066   19.913   88.360   1.5861   18.456   64.608   28.391   31.456   13.393 33.15167 31.39109 
1 1 1   -1    1   44 o   30.183   13.091  -0.8639   18.265 -32.5386   96.340   0.3170   18.602   57.963   27.048   30.919   13.311 27.04352 30.14558 
1 1 1   -1    1   45 o   82.301   18.213   98.146   36.440 -15.8578  115.670  110.707   38.395   62.837   29.425   87.583   18.151 -24.74609 34.57306 
1 1 1   -1    2    1 o  353.422   12.107  1562.49  106.849  1625.41  151.171  1499.69  151.044  360.155   16.809  345.448   17.567 14.70688 24.31328 
1 1 1   -1    2    2 o  114.035   7.2116  163.125   20.431  160.323   28.889  165.928   28.897  112.762   10.376  114.752   10.190 -1.989815 14.54301 
1 1 1   -1    2    3 o  560.803   17.718  3942.79  248.122  3956.92  350.919  3928.66  350.875  560.671   25.064  558.650   25.151 2.021423 35.50756 
1 1 1   -1    2    4 o  190.503   8.2951  453.546   39.461  434.115   55.784  473.009   55.830  185.892   12.083  194.121   11.570 -8.228622 16.72862 
1 1 1   -1    2    5 o  561.756   17.780  3957.40  249.426  3991.91  352.788  3922.90  352.696  562.987   25.094  558.058   25.309 4.928467 35.64023 
1 1 1   -1    2    6 o  263.310   14.389  870.883   94.256  885.797  133.336  855.987  133.261  264.783   20.320  260.208   20.679 4.575226 28.99209 
1 1 1   -1    2    7 o  317.447   16.212  1266.83  128.085  1264.54  181.159  1269.13  181.121  316.058   23.113  316.642   23.065 -0.5843811 32.65283 
1 1 1   -1    2    8 o  692.467   30.694  6090.84  530.761  6039.11  750.573  6142.58  750.646  681.979   44.313  688.053   43.917 -6.074402 62.38890 
1 1 1   -1    2    9 o  380.943   18.175  1825.36  172.896  1968.77  244.968  1683.02  244.057  393.560   25.056  363.198   27.104 30.36157 36.91133 
1 1 1   -1    2   10 o  667.192   43.737  5869.58  724.665   0.0000   0.0000  5869.58  724.665  ?   ?   667.192   43.737 0.000000 43.73668 
1 1 1   -1    2   11 o  465.526   21.693  2744.71  252.177  2763.87  356.824  2725.60  356.440  462.780   31.057  459.458   31.252 3.322388 44.05907 
1 1 1   -1    2   12 o  163.484   11.720  336.759   47.529  339.223   67.501  334.337   66.933  163.314   16.791  162.123   16.775 1.190842 23.73488 
1 1 1   -1    2   13 o  144.812   11.264  264.240   40.414  286.780   57.891  242.813   56.443  150.295   15.655  137.983   16.722 12.31166 22.90634 
1 1 1   -1    2   14 o  389.837   18.762  1910.59  182.644  1780.66  258.264  2040.58  258.332  373.824   27.866  400.829   25.948 -27.00443 38.07652 
1 1 1   -1    2   15 o  160.197   16.990  325.462   66.930  325.462   66.930   0.0000   0.0000  160.197   16.990  ?   ?  0.000000 16.98995 
1 1 1   -1    2   16 o  220.543   13.325  611.026   73.041  594.307  103.791  627.430  102.808  216.749   19.380  222.856   18.645 -6.107178 26.89293 
1 1 1   -1    2   17 o  199.758   12.749  501.316   63.266  497.857   89.964  504.701   88.986  198.405   18.366  199.820   18.027 -1.415024 25.73538 
1 1 1   -1    2   18 o  631.710   28.150  5034.08  444.058  4922.73  628.287  5145.23  627.700  619.951   40.812  634.235   39.835 -14.28430 57.02987 
1 1 1   -1    2   19 o  511.079   23.412  3285.30  298.794  3205.47  423.021  3364.78  422.096  501.722   33.964  514.358   33.037 -12.63599 47.38107 
1 1 1   -1    2   20 o  325.903   23.640  1343.63  191.086   0.0000   0.0000  1343.63  191.086  ?   ?   325.903   23.640 0.000000 23.64036 
1 1 1   -1    2   21 o  1021.32   44.726 13440.77  1140.70 13699.09  1614.38 13183.21  1612.02  1013.01   64.149  992.425   65.413 20.58820 91.61826 
1 1 1   -1    2   22 o  642.360   28.592  5230.92  458.645  5340.61  649.799  5122.02  647.451  642.953   40.681  629.213   41.438 13.73938 58.06932 
1 1 1   -1    2   23 o  202.012   12.969  513.538   65.077  528.101   94.526  500.416   89.727  204.014   18.764  198.630   18.295 5.384384 26.20725 
1 1 1   -1    2   24 o  230.079   13.913  666.795   79.559  654.806  114.790  677.877  110.368  226.835   20.486  231.068   19.304 -4.232513 28.14813 
1 1 1   -1    2   25 o  331.055   24.628  1402.47  202.142  1402.47  202.142   0.0000   0.0000  331.055   24.628  ?   ?  0.000000 24.62772 
1 1 1   -1    2   26 o  277.127   15.380  970.531  106.020  950.988  152.292  988.909  147.684  272.439   22.589  278.203   21.423 -5.764191 31.13168 
1 1 1   -1    2   27 o  195.400   12.243  481.741   59.438  580.399   88.822  401.733   79.987  213.637   16.784  177.150   18.347 36.48634 24.86618 
1 1 1   -1    2   28 o  261.259   15.626  865.442  101.480  740.094  146.099  982.298  141.063  238.686   24.877  276.912   20.546 -38.22559 32.26466 
1 1 1   -1    2   29 o  141.177   16.524  255.706   57.154   0.0000   0.0000  255.706   57.154  ?   ?   141.177   16.524 0.000000 16.52448 
1 1 1   -1    2   30 o  273.998   14.918  951.633  101.688  1024.13  148.693  887.934  139.375  282.146   21.260  262.543   21.446 19.60318 30.19812 
1 1 1   -1    2   31 o  395.020   20.203  1999.02  198.622  1852.86  284.229  2138.52  277.673  374.132   30.693  404.191   27.677 -30.05841 41.32862 
1 1 1   -1    2   32 o  136.046   12.786  235.351   42.927  262.940   71.692  219.931   53.597  141.893   20.855  130.596   16.826 11.29695 26.79664 
1 1 1   -1    2   33 o  124.620   13.093  198.077   40.136  231.774   70.994  182.248   48.658  132.569   22.232  118.631   16.903 13.93784 27.92809 
1 1 1   -1    2   34 f  296.464   24.831  1149.50  182.134  1149.50  182.134   0.0000   0.0000  296.464   24.831  ?   ?  0.000000 24.83056 
1 1 1   -1    2   35 o  132.230   14.512  224.181   47.131  154.192   83.730  256.641   57.022  106.106   30.170  141.077   16.497 -34.97084 34.38610 
1 1 1   -1    2   36 o  158.694   12.833  320.709   50.421  549.863   99.860  242.299   58.413  205.742   19.676  136.551   17.536 69.19124 26.35634 
1 1 1   -1    2   37 f  162.723   21.606  350.847   85.625  350.847   85.625   0.0000   0.0000  162.723   21.606  ?   ?  0.000000 21.60597 
1 1 1   -1    2   38 o   59.454   16.929   46.846   26.344   29.061  143.002   47.470   26.803   85.077   36.765   59.844   17.088 25.23286 40.54191 
1 1 1   -1    2   39 o  127.128   14.636  210.498   45.614  160.936   82.105  232.624   54.860  105.141   29.869  132.839   16.922 -27.69766 34.32959 
1 1 1   -1    2   40 o   46.018   15.787   25.700   21.884   1.7787   70.491   28.252   23.022   58.528   25.547   47.831   16.194 10.69685 30.24734 
1 1 1   -1    2   41 o   76.020   16.090   78.539   29.593  120.150   80.667   72.068   31.811   89.753   30.314   72.299   17.750 17.45475 35.12813 
1 1 1   -1    2   42 o  149.356   33.912  361.651  123.592  361.651  123.592   0.0000   0.0000  149.356   33.912  ?   ?  0.000000 33.91175 
1 1 1   -1    2   43 o   75.970   17.093   80.226   31.643   49.313   92.507   84.322   33.675   71.573   30.204   77.662   17.751 -6.088982 35.03431 
1 1 1   -1    2   44 o  124.689   16.014  211.651   48.711  179.405  108.868  219.723   54.467   99.705   35.150  125.886   17.824 -26.18090 39.41095 
1 1 1   -1    2   45 o   60.521   17.698   52.158   28.440   99.257  107.875   48.640   29.483   79.685   33.048   58.618   18.218 21.06676 37.73647 
1 1 1   -1    3    1 f  263.980   10.097  871.263   66.559  880.725   94.135  861.805   94.122  264.849   14.286  261.964   14.444 2.884979 20.31533 
1 1 1   -1    3    2 f  178.610   8.3081  398.684   37.056  403.737   52.411  393.633   52.399  179.272   11.773  176.991   11.925 2.281189 16.75719 
1 1 1   -1    3    3 o  453.539   14.671  2575.67  166.159  2530.71  234.941  2620.67  235.028  448.897   20.959  456.851   20.601 -7.954193 29.38834 
1 1 1   -1    3    4 o  364.149   12.324  1659.09  112.073  1614.28  158.441  1703.97  158.548  358.808   17.683  368.681   17.221 -9.873077 24.68299 
1 1 1   -1    3    5 o  241.922   9.6142  731.704   58.081  733.569   82.140  729.839   82.139  241.687   13.666  241.065   13.701 0.6215668 19.35144 
1 1 1   -1    3    6 o  204.834   8.8001  524.478   45.013  516.470   63.643  532.493   63.674  202.751   12.633  205.901   12.442 -3.150665 17.73127 
1 1 1   -1    3    7 o  467.368   14.878  2737.12  173.643  3198.48  301.522  2508.19  212.399  503.789   23.967  446.887   19.033 56.90173 30.60526 
1 1 1   -1    3    8 o  721.040   31.884  6611.68  574.095  6587.62  811.867  6635.75  811.920  711.497   45.940  714.210   45.764 -2.712952 64.84460 
1 1 1   -1    3    9 o  408.385   19.438  2099.51  198.232  2084.83  280.366  2114.19  280.318  404.287   27.942  407.199   27.732 -2.912567 39.36806 
1 1 1   -1    3   10 o  190.808   12.199  458.216   57.821  498.112   82.064  418.886   81.480  198.311   16.727  181.478   18.226 16.83237 24.73835 
1 1 1   -1    3   11 o  530.062   35.239  3653.24  463.789   0.0000   0.0000  3653.24  463.789  ?   ?   530.062   35.239 0.000000 35.23912 
1 1 1   -1    3   12 o  587.281   38.783  4516.70  565.570   0.0000   0.0000  4516.70  565.570  ?   ?   587.281   38.783 0.000000 38.78303 
1 1 1   -1    3   13 o  295.908   22.300  1113.42  163.570  1113.42  163.570   0.0000   0.0000  295.908   22.300  ?   ?  0.000000 22.29979 
1 1 1   -1    3   14 o  591.632   26.628  4434.41  393.410  4335.96  556.421  4532.83  556.310  579.237   38.690  592.756   37.780 -13.51843 54.07630 
1 1 1   -1    3   15 o  858.993   37.705  9428.71  808.800  9316.94  1143.87  9540.47  1143.76  841.806   54.711  852.422   54.011 -10.61627 76.87974 
1 1 1   -1    3   16 o  456.077   30.527  2643.14  345.663  2643.14  345.663   0.0000   0.0000  456.077   30.527  ?   ?  0.000000 30.52661 
1 1 1   -1    3   17 f  477.970   21.966  2870.71  262.180  2960.50  371.322  2781.44  370.238  482.926   30.954  467.798   31.884 15.12787 44.43765 
1 1 1   -1    3   18 o  637.393   28.340  5125.24  451.079  5133.08  638.356  5117.42  637.490  633.267   40.580  632.292   40.589 0.9743652 57.39526 
1 1 1   -1    3   19 o  599.508   26.863  4530.03  402.161  4460.73  569.149  4599.14  568.335  590.713   38.799  600.081   38.124 -9.368164 54.39521 
1 1 1   -1    3   20 o  263.430   14.732  871.756   96.524  846.771  137.609  895.956  135.428  258.719   21.494  266.324   20.521 -7.605499 29.71735 
1 1 1   -1    3   21 o  393.335   27.112  1962.24  264.681   0.0000   0.0000  1962.24  264.681  ?   ?   393.335   27.112 0.000000 27.11245 
1 1 1   -1    3   22 o  355.375   17.290  1585.09  153.438  1684.64  218.561  1488.34  215.460  364.695   24.135  342.428   25.378 22.26794 35.02187 
1 1 1   -1    3   23 o  227.047   13.350  648.249   75.356  700.930  108.830  599.729  104.444  235.358   18.670  217.464   19.438 17.89476 26.95188 
1 1 1   -1    3   24 f  275.362   14.888  954.698  101.991  1001.24  146.372  910.772  142.192  280.876   21.021  267.722   21.449 13.15378 30.03225 
1 1 1   -1    3   25 o  300.882   15.338  1141.18  114.861  1261.00  164.998  1028.52  159.993  315.031   21.096  283.954   22.754 31.07678 31.02888 
1 1 1   -1    3   26 o  275.050   22.169  967.025  150.975  967.025  150.975   0.0000   0.0000  275.050   22.169  ?   ?  0.000000 22.16904 
1 1 1   -1    3   27 o  138.624   11.295  242.786   38.761  324.727   60.428  185.501   50.525  159.775   15.334  119.942   17.375 39.83301 23.17334 
1 1 1   -1    3   28 o  127.612   12.888  206.948   40.507  162.705   62.490  239.011   53.197  110.777   23.327  136.664   15.884 -25.88708 28.22144 
1 1 1   -1    3   29 o  123.027   12.126  192.188   36.768  215.676   59.208  177.445   46.909  128.968   18.949  117.315   16.466 11.65286 25.10388 
1 1 1   -1    3   30 o  201.229   13.513  512.763   67.508  512.706  101.125  512.809   90.670  199.398   20.606  200.070   18.353 -0.6719971 27.59409 
1 1 1   -1    3   31 o  233.974   19.755  703.057  114.344   0.0000   0.0000  703.057  114.344  ?   ?   233.974   19.755 0.000000 19.75494 
1 1 1   -1    3   32 o  138.586   11.624  243.339   39.857  398.575   70.149  169.334   48.434  176.654   16.078  114.193   17.546 62.46169 23.79852 
1 1 1   -1    3   33 o  387.041   18.708  1909.96  180.817  2033.71  261.423  1796.47  250.364  394.388   26.702  370.215   27.273 24.17294 38.16799 
1 1 1   -1    3   34 o  186.735   13.989  443.203   64.760  424.024  102.442  455.969   83.579  179.829   23.364  188.356   17.988 -8.526215 29.48640 
1 1 1   -1    3   35 o   72.240   26.770   55.553   64.159   55.553   64.159   0.0000   0.0000   72.240   26.770  ?   ?  0.000000 26.76985 
1 1 1   -1    3   36 o  173.677   17.741  389.374   75.863   0.0000   0.0000  389.374   75.863  ?   ?   173.677   17.741 0.000000 17.74097 
1 1 1   -1    3   37 o  295.674   17.726  1125.76  130.274  990.617  194.136  1236.46  175.709  270.367   29.219  306.729   23.110 -36.36243 37.25311 
1 1 1   -1    3   38 o   93.273   15.103  113.904   33.975  115.814   71.925  113.355   38.547   91.835   28.440   92.421   17.339 -0.5859299 33.30860 
1 1 1   -1    3   39 o  213.445   17.074  593.811   90.247  538.733  183.598  611.359  103.630  186.337   40.604  215.249   19.491 -28.91141 45.03975 
1 1 1   -1    3   40 o  127.013   13.978  209.911   43.601  241.364   83.475  198.111   51.130  130.136   26.585  122.087   17.251 8.048836 31.69191 
1 1 1   -1    3   41 o  157.593   14.551  324.910   56.616  288.000   96.572  344.239   69.885  139.680   28.648  160.531   17.729 -20.85078 33.68972 
1 1 1   -1    3   42 o  277.157   14.259  1004.01   98.355  1165.34  141.540  853.370  136.772  293.137   19.446  247.561   22.366 45.57648 29.63723 
1 1 1   -1    3   43 o   67.597   30.077   10.338  102.173   10.338  102.173   0.0000   0.0000   67.597   30.077  ?   ?  0.000000 30.07681 
1 1 1   -1    3   44 o   59.175   17.065   48.561   26.607  167.458   98.331   39.168   27.638   99.141   33.469   54.095   17.730 45.04559 37.87473 
1 1 1   -1    3   45 o   91.748   18.784  120.036   41.589 -137.5439  111.741  161.455   44.808   52.355   25.612  107.755   17.233 -55.40007 30.86936 
1 1 1   -1    3   46 o   46.575   16.603   27.423   24.356   37.294  113.826   26.950   24.934   69.429   31.252   46.492   16.774 22.93752 35.46890 
1 1 1   -1    4    1 o  363.814   12.332  1656.16  112.036  1604.69  158.397  1707.69  158.488  357.711   17.732  369.060   17.197 -11.34979 24.70149 
1 1 1   -1    4    2 o  159.404   8.0353  318.352   31.883  310.631   45.080  326.079   45.098  157.160   11.568  161.069   11.284 -3.908554 16.15958 
1 1 1   -1    4    3 o  298.755   10.865  1116.26   81.060  1109.83  114.633  1122.69  114.638  297.242   15.497  298.974   15.407 -1.731812 21.85291 
1 1 1   -1    4    4 f  434.091   14.264  2359.56  154.618  2431.04  218.738  2288.19  218.589  440.019   19.907  426.822   20.508 13.19650 28.58103 
1 1 1   -1    4    5 o  234.980   9.4333  690.311   55.354  697.263   78.284  683.360   78.280  235.630   13.359  233.248   13.497 2.382401 18.99054 
1 1 1   -1    4    6 o  546.517   17.082  3746.02  233.128  3792.93  329.754  3699.14  329.631  548.724   24.065  541.838   24.362 6.886597 34.24348 
1 1 1   -1    4    7 o  554.658   17.594  3861.13  243.693  3865.17  344.626  3857.10  344.641  553.512   24.933  552.929   24.960 0.5838013 35.27961 
1 1 1   -1    4    8 o  1168.21   35.709 17446.98  1041.73 17458.54  1473.23 17435.43  1473.21  1154.57   51.098  1153.76   51.133 0.8013916 72.28785 
1 1 1   -1    4    9 o  243.097   10.667  739.738   64.753  824.150  112.348  697.747   79.239  255.426   17.723  235.532   13.529 19.89322 22.29679 
1 1 1   -1    4   10 o  124.655   10.910  196.106   33.619  179.055   47.576  213.112   47.513  118.196   16.575  129.412   14.979 -11.21539 22.34045 
1 1 1   -1    4   11 o  474.591   31.927  2909.89  376.183   0.0000   0.0000  2909.89  376.183  ?   ?   474.591   31.927 0.000000 31.92735 
1 1 1   -1    4   12 o   88.630   15.507  101.621   33.071   0.0000   0.0000  101.621   33.071  ?   ?    88.630   15.507 0.000000 15.50689 
1 1 1   -1    4   13 o  258.533   14.369  841.680   92.399  833.193  130.807  850.132  130.536  256.077   20.630  258.737   20.368 -2.660339 28.99082 
1 1 1   -1    4   14 o  947.383   41.839 11624.45  989.820 11243.60  1399.38 12005.76  1400.26  910.914   61.886  943.924   59.712 -33.00970 85.99652 
1 1 1   -1    4   15 o  456.081   21.248  2617.12  242.002  2493.95  342.278  2740.24  342.207  442.237   31.194  464.106   29.683 -21.86865 43.05927 
1 1 1   -1    4   16 o  315.414   16.166  1250.16  126.905  1286.60  179.897  1214.06  179.048  319.013   22.731  309.738   23.320 9.274811 32.56530 
1 1 1   -1    4   17 o  183.674   17.713  426.867   80.235  426.867   80.235   0.0000   0.0000  183.674   17.713  ?   ?  0.000000 17.71270 
1 1 1   -1    4   18 o  281.945   14.865  998.112  104.293  1098.32  148.176  899.734  146.820  295.130   20.228  266.682   22.250 28.44705 30.06987 
1 1 1   -1    4   19 o  633.731   28.044  5065.48  443.808  5266.01  628.465  4866.00  626.818  641.887   39.398  616.362   40.958 25.52490 56.83082 
1 1 1   -1    4   20 o  628.998   28.096  4992.47  441.304  4805.53  624.474  5178.95  623.724  612.174   41.088  636.252   39.451 -24.07806 56.96144 
1 1 1   -1    4   21 o  520.606   23.500  3411.35  305.517  3574.91  433.247  3249.56  430.895  529.941   32.901  504.704   34.394 25.23645 47.59632 
1 1 1   -1    4   22 o  471.605   31.411  2834.13  367.803   0.0000   0.0000  2834.13  367.803  ?   ?   471.605   31.411 0.000000 31.41072 
1 1 1   -1    4   23 o  532.954   24.256  3587.34  322.815  3631.73  457.825  3543.45  455.245  532.057   34.647  525.426   34.895 6.630981 49.17375 
1 1 1   -1    4   24 f  367.134   18.037  1695.69  165.359  1719.66  235.516  1672.39  232.225  367.409   25.834  362.299   25.837 5.109863 36.53712 
1 1 1   -1    4   25 o  378.137   17.402  1800.41  164.320  2071.67  235.016  1540.98  229.838  403.609   23.418  346.898   26.738 56.71194 35.54364 
1 1 1   -1    4   26 o  267.580   15.253  903.778  101.500  858.674  146.043  945.918  141.165  259.054   22.808  272.497   20.904 -13.44315 30.93880 
1 1 1   -1    4   27 o  385.777   27.634  1922.69  264.451  1922.69  264.451   0.0000   0.0000  385.777   27.634  ?   ?  0.000000 27.63405 
1 1 1   -1    4   28 o  104.636   12.959  139.782   33.137  110.364   53.298  158.318   42.308   91.197   23.314  110.932   15.712 -19.73564 28.11397 
1 1 1   -1    4   29 f  141.850   12.613  255.133   44.213  248.184   68.936  259.989   57.626  138.144   20.614  142.442   16.507 -4.297821 26.40847 
1 1 1   -1    4   30 o   89.402   13.946  103.128   30.119   60.477   51.916  124.765   36.977   71.141   24.317   98.180   15.604 -27.03991 28.89322 
1 1 1   -1    4   31 o  303.825   17.477  1175.36  132.038  977.353  190.211  1359.51  183.434  272.614   28.356  324.705   22.767 -52.09052 36.36415 
1 1 1   -1    4   32 o   96.307   16.316  120.646   37.839   0.0000   0.0000  120.646   37.839  ?   ?    96.307   16.316 0.000000 16.31635 
1 1 1   -1    4   33 o  271.757   15.757  938.480  106.471  911.354  156.781  961.697  145.047  264.785   23.971  273.112   21.440 -8.326843 32.16011 
1 1 1   -1    4   34 o  110.822   13.121  157.058   35.606  235.992   70.562  130.094   41.242  133.951   21.848   99.839   17.160 34.11232 27.78158 
1 1 1   -1    4   35 o  283.357   16.436  1023.46  115.800  987.528  172.589  1052.87  156.170  274.439   25.474  285.089   22.109 -10.64978 33.73056 
1 1 1   -1    4   36 o  231.271   23.798  701.286  135.476  701.286  135.476   0.0000   0.0000  231.271   23.798  ?   ?  0.000000 23.79757 
1 1 1   -1    4   37 o  452.055   22.472  2657.41  253.675  2596.31  366.048  2713.87  351.873  434.890   33.976  447.250   31.711 -12.36057 46.47523 
1 1 1   -1    4   38 o  138.740   15.369  248.687   52.354  126.348   94.189  303.383   62.979   97.007   32.756  152.945   16.764 -55.93790 36.79661 
1 1 1   -1    4   39 o   59.604   16.548   47.197   25.503   48.228   72.300   47.051   27.255   71.071   27.898   59.648   17.292 11.42334 32.82290 
1 1 1   -1    4   40 o  190.102   14.571  467.495   68.644  404.306  104.784  515.001   90.855  170.892   25.320  197.456   18.647 -26.56380 31.44525 
1 1 1   -1    4   41 o  189.406   13.730  464.771   64.502  544.662  106.744  418.823   80.952  199.929   21.730  177.118   18.579 22.81084 28.59031 
1 1 1   -1    4   42 o   99.064   15.378  130.954   36.809  160.976   89.420  124.828   40.390  101.896   31.736   95.793   17.531 6.103180 36.25611 
1 1 1   -1    4   43 f  108.654   16.220  159.006   42.663   71.823   93.941  181.660   47.886   77.658   31.358  115.837   17.066 -38.17892 35.70110 
1 1 1   -1    4   44 o  108.988   15.088  159.363   39.962  347.526  106.276  128.377   43.127  149.639   29.490   95.900   18.680 53.73861 34.90828 
1 1 1   -1    4   45 o  198.966   16.792  538.062   82.652  402.660  135.641  618.028  104.239  150.515   36.471  209.676   20.156 -59.16109 41.67015 
1 1 1   -1    4   46 o  102.886   16.879  147.609   41.862  145.389  120.651  147.913   44.634   89.106   35.693  102.190   18.156 -13.08400 40.04554 
1 1 1   -1    5    1 o  451.677   14.760  2555.81  166.486  2547.65  235.435  2563.98  235.458  450.194   20.942  451.645   20.877 -1.450256 29.57054 
1 1 1   -1    5    2 o  391.238   13.191  1916.20  128.877  1944.90  182.292  1887.51  182.226  393.656   18.544  387.775   18.818 5.880981 26.41979 
1 1 1   -1    5    3 o  421.151   13.945  2221.07  146.659  2310.06  207.497  2132.23  207.319  428.926   19.372  411.991   20.151 16.93469 27.95261 
1 1 1   -1    5    4 o  274.604   10.306  943.049   70.675  944.641   99.948  941.456   99.951  274.223   14.649  273.757   14.674 0.4665527 20.73441 
1 1 1   -1    5    5 o  159.725   8.0696  319.677   32.083  318.829   45.360  320.525   45.383  159.222   11.485  159.650   11.460 -0.4273376 16.22461 
1 1 1   -1    5    6 o  307.732   11.078  1184.79   85.133  1185.64  120.398  1183.95  120.394  307.127   15.751  306.905   15.762 0.2211914 22.28333 
1 1 1   -1    5    7 f  306.773   11.005  1177.56   84.308  1158.09  119.201  1197.05  119.258  303.479   15.783  308.591   15.525 -5.112061 22.13938 
1 1 1   -1    5    8 o  761.686   23.395  7322.60  444.981  7042.28  628.970  7603.50  629.626  742.581   33.918  772.236   32.650 -29.65515 47.07946 
1 1 1   -1    5    9 f  188.663   8.2882  445.134   39.048  454.157   55.228  436.114   55.217  190.059   11.693  186.203   11.938 3.856140 16.71055 
1 1 1   -1    5   10 o  338.805   13.780  1440.69  116.584  1378.83  201.863  1471.65  142.809  328.676   24.777  342.008   16.721 -13.33246 29.89127 
1 1 1   -1    5   11 o  171.166   11.849  369.091   50.336   0.0000   0.0000  369.091   50.336  ?   ?   171.166   11.849 0.000000 11.84934 
1 1 1   -1    5   13 o  365.222   25.774  1702.85  233.556   0.0000   0.0000  1702.85  233.556  ?   ?   365.222   25.774 0.000000 25.77390 
1 1 1   -1    5   14 o  363.237   17.826  1658.68  161.692  1630.68  228.759  1686.63  228.576  357.954   25.764  364.197   25.290 -6.243011 36.10204 
1 1 1   -1    5   15 o  499.255   22.915  3140.29  285.687  3079.89  404.121  3200.63  403.925  490.983   33.155  500.784   32.475 -9.800690 46.40973 
1 1 1   -1    5   16 o  1190.91   52.336 18423.21  1556.43 18280.89  2201.15 18565.52  2201.10  1159.21   76.469  1169.05   75.806 -9.840698 107.6755 
1 1 1   -1    5   17 o  576.606   25.923  4188.75  373.269  4081.85  527.985  4295.56  527.780  565.234   37.621  580.247   36.612 -15.01294 52.49543 
1 1 1   -1    5   18 o  373.897   26.144  1769.22  242.569  1769.22  242.569   0.0000   0.0000  373.897   26.144  ?   ?  0.000000 26.14420 
1 1 1   -1    5   19 o  411.112   19.528  2120.59  200.483  2149.20  284.038  2092.18  283.016  411.950   27.773  406.363   28.062 5.586853 39.48172 
1 1 1   -1    5   20 o  397.203   19.015  1979.34  188.609  2021.51  267.416  1937.60  266.055  399.571   26.958  391.060   27.418 8.511871 38.45093 
1 1 1   -1    5   21 o  511.962   23.331  3297.92  298.272  3362.88  422.763  3233.54  420.884  513.969   33.115  503.791   33.649 10.17841 47.21059 
1 1 1   -1    5   22 o  278.568   15.187  975.318  105.245  971.397  150.309  979.089  147.412  277.026   21.906  278.216   21.381 -1.190247 30.61128 
1 1 1   -1    5   23 o  235.042   19.552  699.377  113.719   0.0000   0.0000  699.377  113.719  ?   ?   235.042   19.552 0.000000 19.55223 
1 1 1   -1    5   24 o  238.908   14.281  718.391   84.807  683.383  122.044  751.078  117.932  231.839   21.319  243.471   19.562 -11.63202 28.93424 
1 1 1   -1    5   25 f  597.719   27.203  4547.93  406.035  4398.38  575.304  4696.36  573.143  580.227   39.949  600.630   38.414 -20.40393 55.42122 
1 1 1   -1    5   26 f  494.381   22.410  3099.99  276.668  3324.72  393.474  2880.24  389.097  507.427   31.203  471.084   33.290 36.34311 45.62761 
1 1 1   -1    5   27 o   93.050   12.865  110.798   29.094  103.395   48.063  115.079   36.552   88.494   21.874   94.267   16.106 -5.772308 27.16398 
1 1 1   -1    5   28 o  167.229   19.403  359.290   79.521  359.290   79.521   0.0000   0.0000  167.229   19.403  ?   ?  0.000000 19.40302 
1 1 1   -1    5   29 o  267.832   15.436  908.627  102.806  858.797  148.627  954.341  142.355  258.004   23.321  272.868   21.054 -14.86392 31.41871 
1 1 1   -1    5   30 o  130.207   11.501  214.719   37.011  311.386   61.520  159.887   46.334  156.133   16.005  111.080   17.264 45.05373 23.54166 
1 1 1   -1    5   31 o  241.857   14.667  741.274   88.162  725.571  129.852  754.702  120.081  237.042   22.195  242.531   20.006 -5.489471 29.88062 
1 1 1   -1    5   32 o  104.444   12.942  139.494   33.033  169.970   60.300  126.427   39.485  113.347   22.098   98.589   16.630 14.75746 27.65606 
1 1 1   -1    5   33 o  429.260   30.066  2428.68  320.253   0.0000   0.0000  2428.68  320.253  ?   ?   429.260   30.066 0.000000 30.06575 
1 1 1   -1    5   34 o  288.680   15.987  1059.40  114.796  1087.90  169.958  1035.48  155.673  289.510   23.717  283.072   22.201 6.438324 32.48615 
1 1 1   -1    5   35 o  144.475   16.930  268.725   59.923   0.0000   0.0000  268.725   59.923  ?   ?   144.475   16.930 0.000000 16.93027 
1 1 1   -1    5   36 o  344.166   17.827  1514.71  152.691  1578.42  225.125  1460.43  207.792  346.695   26.196  334.099   25.089 12.59613 36.27286 
1 1 1   -1    5   37 o  267.311   24.841  941.162  163.924  941.162  163.924   0.0000   0.0000  267.311   24.841  ?   ?  0.000000 24.84116 
1 1 1   -1    5   38 o  347.032   18.742  1555.45  161.820  1523.52  239.380  1582.32  219.593  335.986   28.810  345.086   25.666 -9.100311 38.58418 
1 1 1   -1    5   39 o  200.675   15.252  518.304   75.857  471.267  126.819  544.509   94.657  184.747   28.398  204.176   18.775 -19.42987 34.04360 
1 1 1   -1    5   40 o  185.274   14.731  443.405   67.594  366.006  104.244  499.556   88.789  162.222   26.659  194.930   18.460 -32.70775 32.42694 
1 1 1   -1    5   41 o  277.736   13.599  991.599   94.314  1196.27  136.074  802.368  130.842  301.217   18.175  243.722   21.726 57.49428 28.32594 
1 1 1   -1    5   42 o  225.906   17.195  675.941   96.271  779.661  207.780  647.588  108.635  218.842   39.473  218.831   20.105 0.1095581E-01 44.29817 
1 1 1   -1    5   43 o  122.701   14.456  198.730   43.444  302.920  100.128  174.566   48.220  141.609   29.282  113.460   17.588 28.14867 34.15793 
1 1 1   -1    5   44 o  158.102   15.551  332.783   60.602  268.316  113.296  358.621   71.726  126.680   34.763  162.532   17.973 -35.85235 39.13391 
1 1 1   -1    5   45 o  234.453   17.318  745.502  100.674  567.308  149.993  891.588  135.809  185.781   33.566  250.698   21.914 -64.91678 40.08623 
1 1 1   -1    5   46 o   78.956   35.259   64.756  141.795   64.756  141.795   0.0000   0.0000   78.956   35.259  ?   ?  0.000000 35.25900 
1 1 1   -1    6    1 o  499.771   16.029  3132.73  200.048  3154.92  282.957  3110.55  282.865  500.417   22.643  496.855   22.798 3.561981 32.13203 
1 1 1   -1    6    2 o  248.046   13.912  773.159   85.828  740.586  121.396  805.714  121.363  241.862   20.287  252.487   19.397 -10.62521 28.06758 
1 1 1   -1    6    3 o  550.346   17.339  3800.90  238.291  3990.46  337.196  3611.79  336.793  562.605   24.001  534.981   25.210 27.62402 34.80794 
1 1 1   -1    6    4 o  804.635   24.278  8164.49  487.815  8352.57  690.035  7976.59  689.714  809.960   34.116  791.161   34.910 18.79956 48.81215 
1 1 1   -1    6    5 o  387.837   13.101  1883.67  126.882  1849.74  179.398  1917.64  179.479  383.737   18.721  390.757   18.393 -7.020050 26.24479 
1 1 1   -1    6    6 o  295.401   10.852  1091.86   80.053  1102.53  113.215  1081.19  113.211  296.134   15.362  293.225   15.516 2.908936 21.83469 
1 1 1   -1    6    7 o  247.418   9.7106  765.745   59.997  738.833   84.805  792.714   84.893  242.382   14.072  251.153   13.586 -8.770538 19.56004 
1 1 1   -1    6    8 o  484.391   15.588  2945.26  188.554  2921.55  266.629  2968.98  266.683  481.128   22.192  485.059   22.017 -3.930634 31.26043 
1 1 1   -1    6    9 o  559.201   17.768  3935.66  248.119  3961.97  350.919  3909.35  350.867  558.847   25.146  555.066   25.313 3.781738 35.68004 
1 1 1   -1    6   10 o  441.432   16.046  2451.05  176.880  2758.88  306.921  2297.97  216.438  464.659   26.561  426.479   20.323 38.17984 33.44422 
1 1 1   -1    6   11 o  350.509   14.051  1543.23  122.991  1486.16  150.477  1658.08  213.469  342.938   17.631  360.549   23.844 -17.61032 29.65440 
1 1 1   -1    6   12 o  434.997   16.664  2382.03  181.021  2273.52  313.415  2436.34  221.747  420.143   30.071  439.083   20.224 -18.93970 36.23933 
1 1 1   -1    6   13 o  158.019   16.650  317.426   64.713   0.0000   0.0000  317.426   64.713  ?   ?   158.019   16.650 0.000000 16.65022 
1 1 1   -1    6   14 o  171.995   9.6427  371.250   41.249  270.905   71.459  421.392   50.514  145.307   20.243  183.137   11.098 -37.83011 23.08582 
1 1 1   -1    6   15 o  164.051   11.864  338.588   48.274  311.187   68.382  365.809   68.158  156.449   17.821  170.015   16.252 -13.56622 24.11873 
1 1 1   -1    6   16 o  434.121   20.410  2367.55  221.263  2293.00  312.976  2442.04  312.850  424.793   29.691  438.685   28.717 -13.89249 41.30619 
1 1 1   -1    6   17 o  888.365   38.806 10053.71  860.866  9913.50  1217.47 10193.92  1217.43  871.080   56.270  883.929   55.434 -12.84906 78.98911 
1 1 1   -1    6   18 o  253.603   14.065  807.527   88.722  890.721  126.006  725.729  124.945  265.791   19.112  239.490   21.108 26.30038 28.47477 
1 1 1   -1    6   19 o  786.737   49.981  8002.79  976.842  8002.79  976.842   0.0000   0.0000  786.737   49.981  ?   ?  0.000000 49.98079 
1 1 1   -1    6   20 o  286.661   15.278  1032.06  108.973  1070.41  154.814  994.407  153.417  291.144   21.445  280.462   22.084 10.68192 30.78274 
1 1 1   -1    6   21 o  486.299   22.428  2973.49  272.360  2968.56  385.954  2978.38  384.401  483.095   32.177  483.948   31.988 -0.8530273 45.37179 
1 1 1   -1    6   22 o  518.838   23.646  3390.18  306.364  3437.73  434.302  3343.07  432.233  519.150   33.682  511.819   34.012 7.331055 47.86748 
1 1 1   -1    6   23 o  442.916   21.049  2468.84  232.813  2310.02  330.051  2626.13  328.448  425.326   31.295  454.293   29.105 -28.96756 42.73719 
1 1 1   -1    6   24 o  275.152   15.333  952.910  104.934  920.083  150.563  983.916  146.326  269.083   22.617  278.611   21.191 -9.527344 30.99268 
1 1 1   -1    6   25 o  234.532   19.582  698.108  113.637   0.0000   0.0000  698.108  113.637  ?   ?   234.532   19.582 0.000000 19.58208 
1 1 1   -1    6   26 o  564.724   26.060  4063.03  367.500  3748.30  520.615  4375.61  518.837  534.435   39.285  579.826   36.011 -45.39063 53.29254 
1 1 1   -1    6   27 o  274.306   15.473  950.421  105.559  906.485  151.871  991.484  146.822  265.990   23.094  278.794   21.249 -12.80420 31.38200 
1 1 1   -1    6   28 o  318.139   16.353  1280.85  129.475  1344.35  186.269  1221.48  180.099  323.802   23.190  308.446   23.560 15.35654 33.05821 
1 1 1   -1    6   29 o  275.136   22.582  973.178  153.783  973.178  153.783   0.0000   0.0000  275.136   22.582  ?   ?  0.000000 22.58172 
1 1 1   -1    6   30 o  167.028   12.097  352.628   50.114  429.453   77.957  298.522   65.423  183.359   17.228  152.535   17.492 30.82423 24.55111 
1 1 1   -1    6   31 o  211.720   13.772  567.470   72.417  572.210  108.410  563.651   97.313  210.761   20.873  209.779   18.775 0.9821167 28.07422 
1 1 1   -1    6   32 o  105.335   12.917  141.811   33.265  178.154   60.968  126.407   39.693  116.211   21.810   98.576   16.722 17.63445 27.48313 
1 1 1   -1    6   33 o  116.724   12.934  173.732   37.067  218.925   67.941  154.579   44.229  129.074   21.859  109.220   16.751 19.85401 27.53909 
1 1 1   -1    6   34 o  316.932   23.766  1301.52  186.722   0.0000   0.0000  1301.52  186.722  ?   ?   316.932   23.766 0.000000 23.76586 
1 1 1   -1    6   35 o  331.860   17.360  1403.93  143.368  1457.87  211.038  1357.71  195.373  334.303   25.471  323.132   24.392 11.17090 35.26685 
1 1 1   -1    6   36 o  237.593   13.995  716.211   82.670  875.623  131.383  611.727  106.366  260.596   20.351  217.760   19.776 42.83638 28.37677 
1 1 1   -1    6   37 o  244.093   15.234  759.207   92.392  785.842  144.891  740.955  119.940  244.792   24.012  239.294   20.262 5.497528 31.41821 
1 1 1   -1    6   38 o  336.311   17.605  1452.58  147.340  1549.62  220.504  1374.30  198.042  341.886   26.023  322.763   24.760 19.12347 35.92002 
1 1 1   -1    6   39 o  242.612   25.899  791.562  154.481  791.562  154.481   0.0000   0.0000  242.612   25.899  ?   ?  0.000000 25.89862 
1 1 1   -1    6   40 o  117.614   16.068  181.099   45.959   44.686   96.757  220.842   52.226   76.627   31.491  129.934   16.465 -53.30705 35.53613 
1 1 1   -1    6   41 o  302.921   15.366  1188.33  115.853  1233.95  159.068  1136.80  169.072  303.965   21.086  289.351   23.605 14.61456 31.65146 
1 1 1   -1    6   42 o  219.484   14.108  624.818   76.914  690.231  119.026  577.921  100.782  225.444   21.399  207.441   19.691 18.00307 29.08012 
1 1 1   -1    6   43 o  109.248   16.370  159.942   43.284  237.959  185.328  155.441   44.515  114.918   44.791  107.309   17.192 7.609077 47.97762 
1 1 1   -1    6   44 o  150.401   14.765  298.745   54.740  345.628  111.038  283.693   62.917  149.592   30.752  144.803   17.773 4.789429 35.51841 
1 1 1   -1    6   45 o  184.645   16.071  456.433   73.364  371.850  128.005  497.809   89.528  148.918   35.011  190.326   19.094 -41.40871 39.87943 
1 1 1   -1    6   46 o  154.725   14.495  319.500   55.354  561.355  127.299  263.107   61.469  191.317   27.430  137.705   18.331 53.61154 32.99149 
1 1 1   -1    6   47 o   71.630   33.408   4.2760  146.680   4.2760  146.680   0.0000   0.0000   71.630   33.408  ?   ?  0.000000 33.40834 
1 1 1   -1    7    1 o  327.813   11.604  1345.66   94.989  1336.03  134.379  1355.27  134.292  325.732   16.575  328.510   16.370 -2.777588 23.29617 
1 1 1   -1    7    2 o  314.480   11.204  1237.99   87.985  1246.85  124.470  1229.14  124.389  314.803   15.885  312.538   15.991 2.265472 22.53996 
1 1 1   -1    7    3 o  476.377   21.758  2860.16  258.839  2609.01  365.724  3112.22  366.383  451.247   32.677  494.051   29.837 -42.80389 44.24953 
1 1 1   -1    7    4 o  504.479   23.093  3211.18  290.924  3184.00  411.452  3238.35  411.406  498.527   33.241  502.897   32.942 -4.369598 46.79894 
1 1 1   -1    7    5 o  1083.66   33.071 14984.50  894.940 15106.47  1265.75 14862.57  1265.53  1076.24   47.096  1067.14   47.490 9.105225 66.88305 
1 1 1   -1    7    6 o  429.356   14.005  2311.25  150.158  2255.45  212.273  2367.13  212.437  423.222   20.085  433.658   19.617 -10.43625 28.07564 
1 1 1   -1    7    7 o  352.419   12.225  1556.06  107.586  1560.02  152.146  1552.09  152.153  352.266   17.296  351.363   17.341 0.9023132 24.49195 
1 1 1   -1    7    8 o  131.118   7.6648  215.708   24.987  215.862   35.331  215.554   35.343  130.838   10.913  130.743   10.925 0.9574890E-01 15.44229 
1 1 1   -1    7    9 o  721.519   22.386  6591.42  403.347  6504.65  570.297  6678.26  570.540  711.568   32.095  721.264   31.677 -9.695801 45.09426 
1 1 1   -1    7   10 o  383.044   12.965  1841.25  124.018  1897.27  175.482  1785.34  175.295  387.898   18.116  376.169   18.661 11.72876 26.00823 
1 1 1   -1    7   11 o  147.118   7.8105  271.508   28.592  279.404   40.408  263.591   40.461  148.920   10.943  144.578   11.297 4.342331 15.72745 
1 1 1   -1    7   12 o  672.510   21.015  5719.02  352.927  5560.47  498.912  5877.82  499.318  658.646   30.333  677.652   29.507 -19.00641 42.31735 
1 1 1   -1    7   13 o  234.154   10.678  686.546   62.436  739.797  108.349  660.072   76.396  241.763   18.078  229.019   13.417 12.74399 22.51239 
1 1 1   -1    7   14 o  365.046   25.686  1694.34  232.658   0.0000   0.0000  1694.34  232.658  ?   ?   365.046   25.686 0.000000 25.68604 
1 1 1   -1    7   15 o  527.367   18.796  3493.17  247.526  3739.52  429.327  3370.51  302.946  541.763   31.875  517.174   23.457 24.58875 39.57577 
1 1 1   -1    7   16 o  232.455   10.960  675.870   63.621  525.937  110.103  751.026   77.953  203.349   22.035  244.628   12.805 -41.27914 25.48543 
1 1 1   -1    7   17 o  1070.05   37.638 14568.52  1005.73 14178.16  1741.59 14763.82  1231.89  1032.27   67.942  1072.26   46.007 -39.99805 82.05320 
1 1 1   -1    7   18 o  367.574   17.993  1694.00  165.156  1597.65  233.635  1790.23  233.496  355.143   26.536  376.340   24.988 -21.19724 36.44903 
1 1 1   -1    7   19 o  717.783   31.616  6514.64  566.696  6336.79  801.416  6692.50  801.442  701.645   45.994  721.739   44.687 -20.09460 64.12778 
1 1 1   -1    7   20 o  305.511   22.838  1179.74  172.973  1179.74  172.973   0.0000   0.0000  305.511   22.838  ?   ?  0.000000 22.83768 
1 1 1   -1    7   21 o  880.976   38.519  9889.34  847.397  9538.55  1198.36 10240.18  1198.44  853.757   56.529  886.187   54.418 -32.42993 78.46552 
1 1 1   -1    7   22 o  1094.69   47.952 15485.71  1310.82 14805.61  1853.31 16166.50  1854.26  1047.33   71.286  1098.31   67.941 -50.97461 98.47684 
1 1 1   -1    7   23 o  186.525   12.804  437.686   59.278  428.890   85.843  445.703   81.955  183.800   18.976  187.602   17.703 -3.801743 25.95177 
1 1 1   -1    7   24 o  275.639   14.819  955.658  101.626  1021.59  145.690  893.177  141.831  284.056   20.681  265.333   21.593 18.72302 29.89896 
1 1 1   -1    7   25 f  218.833   13.482  602.822   73.314  617.558  106.283  589.446  101.262  220.538   19.500  215.512   19.011 5.026337 27.23313 
1 1 1   -1    7   26 o  390.834   27.254  1957.01  264.332   0.0000   0.0000  1957.01  264.332  ?   ?   390.834   27.254 0.000000 27.25418 
1 1 1   -1    7   27 o  439.196   21.223  2445.61  232.760  2290.88  330.706  2597.51  327.659  420.071   31.761  448.633   29.410 -28.56213 43.28581 
1 1 1   -1    7   28 o  436.182   20.551  2415.30  223.852  2504.86  319.055  2328.47  314.151  439.643   29.228  423.456   29.901 16.18695 41.81280 
1 1 1   -1    7   29 o  162.549   12.470  334.093   50.230  359.696   76.802  314.956   66.399  167.447   18.686  156.887   17.232 10.55975 25.41874 
1 1 1   -1    7   30 f  105.404   12.842  141.830   33.102  153.006   55.838  135.774   41.104  107.705   21.514  102.337   16.657 5.367790 27.20828 
1 1 1   -1    7   31 o  554.916   38.351  4145.21  528.178  4145.21  528.178   0.0000   0.0000  554.916   38.351  ?   ?  0.000000 38.35082 
1 1 1   -1    7   32 o  306.593   16.711  1194.29  127.461  1164.99  185.121  1220.70  175.756  299.644   24.967  307.612   23.048 -7.967438 33.97867 
1 1 1   -1    7   33 o  123.475   14.372  195.003   43.485  107.463   73.151  242.843   54.077   91.015   28.759  137.612   16.037 -46.59646 32.92793 
1 1 1   -1    7   34 o  274.598   21.638  971.788  147.177   0.0000   0.0000  971.788  147.177  ?   ?   274.598   21.638 0.000000 21.63837 
1 1 1   -1    7   36 o  173.225   13.535  381.202   58.083  454.392  101.151  345.197   70.946  186.734   22.122  163.792   17.623 22.94217 28.28324 
1 1 1   -1    7   37 o  239.529   15.539  731.205   92.442  696.146  143.883  755.849  120.634  229.803   25.503  241.905   20.153 -12.10132 32.50462 
1 1 1   -1    7   38 o  332.052   18.658  1418.59  154.081  1321.02  229.169  1499.09  208.151  313.479   29.626  337.570   24.868 -24.09052 38.67950 
1 1 1   -1    7   39 o   93.555   15.356  114.423   34.631  106.975   85.748  115.875   37.855   90.804   31.245   93.788   16.779 -2.983398 35.46503 
1 1 1   -1    7   40 o  120.960   32.438  211.657   99.996  211.657   99.996   0.0000   0.0000  120.960   32.438  ?   ?  0.000000 32.43775 
1 1 1   -1    7   41 o  155.743   14.158  313.507   54.462  431.707  113.961  278.521   62.001  176.100   26.757  145.457   17.415 30.64233 31.92518 
1 1 1   -1    7   42 o  287.266   16.071  1077.00  114.824  1028.38  159.363  1129.49  165.587  274.064   23.513  287.555   23.259 -13.49127 33.07341 
1 1 1   -1    7   43 o  115.189   15.809  176.287   44.275   95.746   95.624  198.264   49.952   84.862   32.411  121.777   16.880 -36.91452 36.54317 
1 1 1   -1    7   44 o  134.913   16.541  243.487   54.561  251.601  193.793  242.789   56.861  115.440   45.560  134.275   17.365 -18.83419 48.75702 
1 1 1   -1    7   45 o   83.901   16.373   96.208   33.072  170.202  106.636   88.333   34.787  101.186   34.841   79.715   17.912 21.47052 39.17611 
1 1 1   -1    7   46 o  174.404   15.586  407.579   67.166  426.040  131.211  401.024   78.186  159.922   33.908  170.536   18.664 -10.61317 38.70519 
1 1 1   -1    7   47 o   89.261   17.868  112.409   38.439 -11.7409  122.868  125.878   40.471   66.827   30.966   94.636   17.778 -27.80890 35.70655 
1 1 1   -1    8    1 o  492.078   15.898  3044.77  195.353  3052.83  276.332  3036.71  276.210  490.988   22.538  489.675   22.588 1.313263 31.90882 
1 1 1   -1    8    2 o  114.460   7.4938  164.520   21.301  155.125   30.211  173.809   30.039  110.737   11.073  117.366   10.355 -6.629494 15.16086 
1 1 1   -1    8    3 o  179.405   8.3802  402.590   37.544  399.538   53.140  405.632   53.050  178.156   12.015  179.529   11.901 -1.372833 16.91093 
1 1 1   -1    8    4 o  280.299   10.367  983.613   72.568  978.523  102.642  988.701  102.610  278.802   14.796  280.265   14.713 -1.463104 20.86572 
1 1 1   -1    8    5 o  710.401   31.594  6459.11  560.487  6257.33  792.371  6661.17  792.927  688.284   46.371  711.465   44.860 -23.18085 64.51897 
1 1 1   -1    8    6 o  403.969   19.233  2057.05  194.020  1954.78  274.241  2159.55  274.530  390.694   28.301  411.234   26.881 -20.53979 39.03233 
1 1 1   -1    8    7 o  302.205   10.955  1144.03   82.670  1083.78  116.807  1204.49  117.019  293.172   16.016  309.632   15.134 -16.46036 22.03497 
1 1 1   -1    8    8 o  311.827   11.197  1218.50   87.193  1285.97  123.395  1151.21  123.223  319.821   15.450  302.033   16.399 17.78735 22.53096 
1 1 1   -1    8    9 o  355.892   17.563  1596.30  156.089   0.0000   0.0000  1596.30  156.089  ?   ?   355.892   17.563 0.000000 17.56315 
1 1 1   -1    8   10 o   51.297   11.217   34.267   13.968   34.267   13.968   0.0000   0.0000   51.297   11.217  ?   ?  0.000000 11.21686 
1 1 1   -1    8   11 o  568.000   17.918  4067.13  254.142  4041.70  359.367  4092.57  359.455  563.448   25.541  567.050   25.385 -3.601501 36.00990 
1 1 1   -1    8   12 o  420.779   13.791  2222.25  144.911  2179.53  204.856  2265.05  205.015  415.582   19.740  423.738   19.375 -8.156921 27.65932 
1 1 1   -1    8   13 o  519.396   16.513  3389.90  214.177  3342.94  302.808  3436.91  302.975  514.088   23.587  521.353   23.272 -7.264465 33.13499 
1 1 1   -1    8   14 o   56.335   15.491   41.037   22.471   0.0000   0.0000   41.037   22.471  ?   ?    56.335   15.491 0.000000 15.49096 
1 1 1   -1    8   15 f  770.914   49.353  7740.24  945.118   0.0000   0.0000  7740.24  945.118  ?   ?   770.914   49.353 0.000000 49.35324 
1 1 1   -1    8   16 o  479.079   17.990  2879.11  215.219  2722.77  372.678  2957.33  263.621  462.384   32.482  485.021   21.765 -22.63748 39.10026 
1 1 1   -1    8   17 o  834.289   29.593  8792.14  616.530  8415.15  1067.47  8980.84  755.231  804.210   53.458  840.883   35.966 -36.67310 64.43095 
1 1 1   -1    8   18 o  1082.44   37.753 14896.89  1020.48 14869.85  1767.69 14910.41  1249.78  1059.31   67.171  1077.99   46.427 -18.67200 81.65427 
1 1 1   -1    8   19 o  707.266   25.364  6296.90  447.967  6109.10  775.989  6390.76  548.615  689.155   45.344  711.124   30.894 -21.96912 54.86814 
1 1 1   -1    8   20 o  800.339   28.474  8082.36  569.085  7856.92  985.772  8195.05  696.953  778.672   50.977  803.854   34.720 -25.18176 61.67760 
1 1 1   -1    8   21 o  191.764   18.385  465.470   86.959  465.470   86.959   0.0000   0.0000  191.764   18.385  ?   ?  0.000000 18.38457 
1 1 1   -1    8   22 o  593.688   26.688  4448.26  395.665  4374.60  560.024  4521.68  559.086  584.176   38.607  594.244   37.873 -10.06744 54.08225 
1 1 1   -1    8   23 o  357.736   17.845  1606.67  159.412  1547.63  226.333  1664.79  224.564  349.065   26.155  362.371   24.969 -13.30661 36.15980 
1 1 1   -1    8   24 o  361.390   18.250  1645.81  164.165  1517.08  233.128  1772.44  231.214  344.949   27.287  373.622   24.925 -28.67313 36.95673 
1 1 1   -1    8   25 o  390.151   19.161  1917.26  186.684  1823.46  265.230  2009.35  262.810  377.544   28.339  396.950   26.668 -19.40546 38.91346 
1 1 1   -1    8   26 o  329.093   16.713  1366.35  136.898  1420.38  195.774  1314.64  191.503  333.860   23.635  321.012   24.065 12.84885 33.72999 
1 1 1   -1    8   27 o  102.472   16.295  135.454   40.302   0.0000   0.0000  135.454   40.302  ?   ?   102.472   16.295 0.000000 16.29510 
1 1 1   -1    8   28 o  268.292   14.080  908.065   94.005  1060.14  136.870  772.274  129.336  288.756   19.089  245.683   21.292 43.07251 28.59585 
1 1 1   -1    8   29 o  371.108   18.548  1745.25  171.884  1722.04  245.675  1767.50  240.567  364.662   27.174  369.922   26.212 -5.260010 37.75534 
1 1 1   -1    8   30 f  258.837   14.421  847.227   92.839  919.827  135.762  783.456  127.240  268.070   20.434  247.170   20.808 20.90013 29.16418 
1 1 1   -1    8   31 o  573.740   26.568  4254.03  380.655  4248.66  541.010  4259.29  535.685  561.678   38.810  562.872   38.339 -1.193604 54.55349 
1 1 1   -1    8   32 o  203.673   21.246  535.351  106.469  535.351  106.469   0.0000   0.0000  203.673   21.246  ?   ?  0.000000 21.24615 
1 1 1   -1    8   33 o  157.115   13.877  313.735   53.888  253.745   85.877  352.698   69.209  138.081   25.856  165.981   16.935 -27.90042 30.90804 
1 1 1   -1    8   34 o  332.052   17.917  1404.94  148.013  1339.33  215.457  1463.57  203.684  320.017   27.219  336.070   24.438 -16.05286 36.58002 
1 1 1   -1    8   35 o  300.465   16.175  1147.42  120.915  1218.65  179.991  1088.84  163.235  306.651   23.688  290.205   22.706 16.44650 32.81284 
1 1 1   -1    8   36 o  110.122   14.279  155.760   38.342  160.076   78.745  154.418   43.897  108.574   28.633  109.107   16.638 -0.5332260 33.11578 
1 1 1   -1    8   37 o  136.195   16.800  239.286   55.926   0.0000   0.0000  239.286   55.926  ?   ?   136.195   16.800 0.000000 16.79980 
1 1 1   -1    8   38 o  318.443   18.556  1302.92  146.920  1142.87  218.033  1436.04  198.844  291.342   30.417  331.154   24.213 -39.81122 38.87788 
1 1 1   -1    8   39 o   87.605   15.685  100.687   33.053  108.880   86.618   99.291   35.759   91.694   31.410   86.634   17.136 5.059731 35.78004 
1 1 1   -1    8   40 o  100.318   15.008  131.277   36.442  172.275   93.671  123.965   39.558  109.951   32.110   96.873   16.971 13.07758 36.31884 
1 1 1   -1    8   41 f   81.527   31.476   74.035   90.844   74.035   90.844   0.0000   0.0000   81.527   31.476  ?   ?  0.000000 31.47555 
1 1 1   -1    8   42 o  177.203   15.464  409.256   67.745  374.206  128.349  422.792   79.760  157.906   33.582  178.765   18.117 -20.85887 38.15776 
1 1 1   -1    8   43 o   98.207   15.383  128.157   36.488  176.887   96.967  120.119   39.382  107.128   32.996   94.270   17.369 12.85823 37.28873 
1 1 1   -1    8   44 o  225.849   15.039  668.888   84.335  694.606  132.749  651.485  109.204  221.916   24.355  218.745   20.221 3.170517 31.65511 
1 1 1   -1    8   45 o  146.352   15.051  283.683   54.222  343.334  119.486  268.214   60.848  146.348   33.428  140.764   17.702 5.584229 37.82550 
1 1 1   -1    8   46 o  250.088   16.887  841.381  104.846  772.672  161.833  891.082  137.639  223.936   29.670  251.040   22.184 -27.10419 37.04658 
1 1 1   -1    8   47 o   42.157   15.735   19.504   22.246 -59.0162  120.361   22.281   22.635   61.896   29.301   43.756   15.952 18.13939 33.36185 
1 1 1   -1    9    1 o  330.095   16.789  1376.56  137.937  1337.54  195.331  1415.38  194.815  323.289   24.375  332.863   23.590 -9.574066 33.92067 
1 1 1   -1    9    2 f  145.258   7.6518  264.676   27.658  274.354   39.269  255.149   38.961  147.576   10.729  142.248   11.055 5.327316 15.40543 
1 1 1   -1    9    3 o  205.324   8.8652  527.672   45.455  527.156   64.365  528.187   64.201  204.578   12.661  204.785   12.616 -0.2073975 17.87356 
1 1 1   -1    9    4 o  470.193   15.226  2780.04  178.777  2806.64  252.897  2753.47  252.761  470.785   21.511  466.243   21.709 4.541290 30.56206 
1 1 1   -1    9    5 o  392.647   13.181  1935.18  129.244  1962.95  182.826  1907.44  182.732  394.434   18.561  388.760   18.823 5.674713 26.43529 
1 1 1   -1    9    6 o  252.547   9.8637  798.723   62.206  826.875   88.000  770.606   87.945  256.229   13.804  247.251   14.305 8.977432 19.87910 
1 1 1   -1    9    7 f  270.713   14.689  923.820   98.927  961.716  139.994  886.022  139.813  275.002   20.534  263.682   21.418 11.31946 29.67120 
1 1 1   -1    9    8 o  330.331   16.753  1377.93  137.740  1366.90  194.790  1388.97  194.799  327.077   24.017  329.783   23.814 -2.705872 33.82199 
1 1 1   -1    9    9 o  195.408   12.527  481.059   60.807  513.701   85.964  448.369   86.025  201.171   17.280  187.588   18.610 13.58394 25.39507 
1 1 1   -1    9   10 f  340.113   11.910  1450.57  101.153  1496.31  143.108  1404.91  142.997  344.730   16.624  333.500   17.229 11.22995 23.94162 
1 1 1   -1    9   11 o  471.178   15.133  2790.03  178.061  2735.17  251.742  2844.97  251.891  464.941   21.682  474.300   21.267 -9.358795 30.37130 
1 1 1   -1    9   12 o  433.749   14.348  2361.24  155.409  2380.02  219.796  2342.47  219.766  434.359   20.264  430.884   20.424 3.475220 28.77113 
1 1 1   -1    9   13 o  418.873   13.938  2199.77  145.788  2199.48  206.155  2200.08  206.197  417.978   19.751  418.034   19.752 -0.5688477E-01 27.93316 
1 1 1   -1    9   14 o   82.091   8.9050   85.249   17.962  124.133   30.707   65.023   22.146   98.754   12.749   70.956   12.977 27.79758 18.19199 
1 1 1   -1    9   15 o  410.210   19.284  2113.20  197.538  2381.98  279.610  1845.39  279.112  433.758   25.933  380.756   29.587 53.00275 39.34362 
1 1 1   -1    9   16 f  690.440   44.123  6138.07  756.776   0.0000   0.0000  6138.07  756.776  ?   ?   690.440   44.123 0.000000 44.12316 
1 1 1   -1    9   17 f  769.884   27.250  7473.17  523.896  7612.61  907.813  7403.54  641.498  768.112   47.562  764.360   33.608 3.751343 58.23826 
1 1 1   -1    9   18 o  736.317   26.091  6828.39  479.746  6106.49  829.990  7190.59  587.905  687.428   48.664  754.189   31.216 -66.76099 57.81569 
1 1 1   -1    9   19 o  205.198   10.686  527.927   54.570  421.817   94.896  580.352   66.702  182.060   21.274  215.020   12.476 -32.95966 24.66248 
1 1 1   -1    9   20 o  556.585   20.414  3889.13  283.731  3585.10  491.398  4041.19  347.511  529.762   37.385  566.672   24.558 -36.91016 44.72946 
1 1 1   -1    9   21 o  370.399   14.006  1717.68  129.551  1948.43  225.724  1604.33  158.202  392.912   23.107  357.678   17.712 35.23349 29.11462 
1 1 1   -1    9   22 o  528.630   22.745  3516.61  300.253  4113.47  426.491  2930.11  422.776  569.305   30.107  478.590   35.630 90.71509 46.64670 
1 1 1   -1    9   23 f  385.208   15.234  1860.16  146.545  1764.66  254.877  1907.33  179.112  372.515   27.595  389.703   18.405 -17.18835 33.17005 
1 1 1   -1    9   24 o  212.147   10.851  564.748   57.292  479.219  100.967  605.365   69.578  193.909   21.196  219.463   12.751 -25.55362 24.73597 
1 1 1   -1    9   25 o  284.860   14.653  1020.98  103.884  1178.23  149.171  872.898  144.757  305.173   19.679  261.941   22.344 43.23251 29.77441 
1 1 1   -1    9   26 o  184.897   12.909  430.898   59.229  421.485   86.528  439.197   81.247  181.787   19.359  185.918   17.714 -4.131042 26.24016 
1 1 1   -1    9   27 o  238.913   14.764  720.473   87.652  603.620  125.911  830.348  122.094  216.676   23.655  255.628   19.268 -38.95143 30.50907 
1 1 1   -1    9   28 o  194.479   18.140  482.130   87.080   0.0000   0.0000  482.130   87.080  ?   ?   194.479   18.140 0.000000 18.13992 
1 1 1   -1    9   29 o  240.497   13.931  730.533   83.306  786.529  121.834  681.364  114.164  248.158   19.826  230.818   20.004 17.34023 28.16448 
1 1 1   -1    9   30 o   85.697   13.654   94.724   28.239   87.494   49.529   98.206   34.374   81.628   23.202   86.754   16.469 -5.126686 28.45279 
1 1 1   -1    9   31 o  143.712   13.128  262.158   46.592  229.828   72.947  284.436   60.554  132.225   22.923  149.058   16.547 -16.83253 28.27149 
1 1 1   -1    9   32 o  147.069   12.413  274.075   45.162  331.713   73.713  239.439   57.142  160.531   18.741  136.436   17.151 24.09465 25.40400 
1 1 1   -1    9   34 o  302.554   24.700  1187.87  184.990  1187.87  184.990   0.0000   0.0000  302.554   24.700  ?   ?  0.000000 24.70024 
1 1 1   -1    9   35 o  140.287   12.486  249.806   43.283  400.703   81.049  189.600   51.195  176.481   18.674  121.011   17.445 55.46917 25.55533 
1 1 1   -1    9   36 o  359.517   18.123  1649.47  162.178  1736.93  237.769  1573.39  221.773  364.681   26.285  347.314   25.754 17.36737 36.79912 
1 1 1   -1    9   37 o  314.197   17.108  1259.34  133.725  1282.84  199.647  1240.21  180.094  312.984   25.773  308.906   23.523 4.078033 34.89408 
1 1 1   -1    9   38 o   87.561   17.031  100.898   35.899   0.0000   0.0000  100.898   35.899  ?   ?    87.561   17.031 0.000000 17.03104 
1 1 1   -1    9   39 o  214.800   14.191  588.263   75.690  730.098  129.357  514.422   93.336  236.054   22.206  199.155   18.998 36.89912 29.22337 
1 1 1   -1    9   40 o  144.747   14.396  269.525   51.347  301.083  103.422  259.201   59.152  147.023   29.199  141.063   17.145 5.960464 33.86010 
1 1 1   -1    9   41 o   81.016   17.039   87.768   33.378 -48.1793   93.943  107.409   35.708   60.092   27.567   89.988   16.498 -29.89526 32.12642 
1 1 1   -1    9   42 o   65.044   28.788  -7.3481   92.411  -7.3481   92.411   0.0000   0.0000   65.044   28.788  ?   ?  0.000000 28.78797 
1 1 1   -1    9   43 o  114.747   14.848  173.096   41.547  276.302  111.721  156.532   44.757  134.079   33.471  108.143   17.145 25.93607 37.60709 
1 1 1   -1    9   44 o  152.794   14.092  305.078   53.163  434.230  109.597  265.337   60.795  174.154   25.997  140.623   17.705 33.53102 31.45304 
1 1 1   -1    9   45 o   88.266   17.106  106.382   36.344  -0.3074  105.518  120.743   38.713   67.709   30.313   94.181   17.090 -26.47264 34.79868 
1 1 1   -1    9   46 o  196.434   16.007  514.756   77.839  469.502  137.555  536.074   94.408  170.705   33.465  197.614   19.380 -26.90955 38.67169 
1 1 1   -1    9   47 f  105.110   17.606  152.877   44.578 -39.0886  214.928  161.507   45.569   79.904   38.198  108.174   17.464 -28.26950 42.00131 
1 1 1   -1    9   48 o   71.796   17.509   73.233   31.111  181.239  129.471   66.615   32.050   96.749   37.513   68.161   18.400 28.58748 41.78305 
1 1 1   -1   10    1 o  175.922   8.4741  387.303   37.227  367.997   52.798  406.390   52.498  170.807   12.464  179.635   11.768 -8.827850 17.14213 
1 1 1   -1   10    2 o  227.475   12.903  651.646   72.992  723.463  103.742  581.239  102.718  238.898   17.512  213.588   19.472 25.30940 26.18829 
1 1 1   -1   10    3 o  577.746   17.773  4211.03  256.424  4123.17  362.670  4298.85  362.607  568.578   25.543  580.821   25.000 -12.24335 35.74143 
1 1 1   -1   10    4 o  309.328   11.049  1199.50   85.348  1194.69  120.776  1204.29  120.626  307.676   15.772  308.930   15.688 -1.253571 22.24566 
1 1 1   -1   10    5 o  238.552   9.5648  712.661   56.978  733.934   80.655  691.468   80.504  241.368   13.435  234.197   13.827 7.171509 19.27855 
1 1 1   -1   10    6 o  269.423   10.234  909.415   68.854  941.331   97.442  877.588   97.306  273.298   14.328  263.767   14.833 9.531830 20.62290 
1 1 1   -1   10    7 o  354.666   12.194  1578.05  107.999  1620.01  152.752  1536.11  152.715  358.538   17.061  348.597   17.600 9.940735 24.51200 
1 1 1   -1   10    8 o  555.237   25.112  3925.12  348.182   0.0000   0.0000  3925.12  348.182  ?   ?   555.237   25.112 0.000000 25.11179 
1 1 1   -1   10    9 o  259.704   14.349  849.870   92.695  849.870   92.695   0.0000   0.0000  259.704   14.349  ?   ?  0.000000 14.34879 
1 1 1   -1   10   10 o  456.478   21.276  2634.87  242.524  2775.50  343.151  2494.51  342.811  464.857   29.716  439.879   31.415 24.97870 43.24300 
1 1 1   -1   10   11 o  475.383   21.899  2855.98  259.963  2683.77  367.272  3028.90  368.015  456.517   32.428  485.952   30.481 -29.43469 44.50418 
1 1 1   -1   10   12 o  139.541   11.285  245.386   38.988  307.995   55.174  182.940   55.102  156.059   14.317  119.098   19.178 36.96129 23.93314 
1 1 1   -1   10   13 o  358.767   17.283  1616.25  154.837  1417.90  218.515  1816.26  219.433  333.771   26.433  378.750   23.314 -44.97842 35.24547 
1 1 1   -1   10   14 o  246.989   14.020  766.594   86.115  798.811  121.646  734.229  121.924  251.404   19.530  240.816   20.469 10.58830 28.29101 
1 1 1   -1   10   15 o  631.638   27.951  5039.44  440.879  4774.78  622.892  5305.13  624.103  609.464   41.169  643.474   39.024 -34.01007 56.72516 
1 1 1   -1   10   16 f  465.599   21.561  2724.05  250.687  2714.30  354.258  2733.83  354.793  462.236   30.868  463.922   30.800 -1.685608 43.60617 
1 1 1   -1   10   17 o  238.798   11.099  713.155   66.186  773.869  114.859  682.973   80.983  247.692   18.708  233.165   13.973 14.52730 23.34982 
1 1 1   -1   10   18 o  469.658   17.553  2765.01  205.864  2473.70  356.286  2911.02  252.230  440.956   32.587  481.492   20.978 -40.53629 38.75507 
1 1 1   -1   10   19 o  443.103   16.907  2460.52  187.082  2394.53  324.291  2493.44  229.037  434.395   30.080  445.663   20.580 -11.26828 36.44671 
1 1 1   -1   10   20 o  686.844   24.375  5936.81  418.067  6028.12  724.602  5891.25  511.852  685.410   42.545  682.821   30.018 2.588379 52.06901 
1 1 1   -1   10   21 o  570.898   20.861  4094.41  297.405  4070.42  515.615  4106.37  364.071  564.481   36.779  570.864   25.539 -6.383118 44.77676 
1 1 1   -1   10   22 o  102.267   9.8443  131.986   24.830  136.352   45.770  130.165   29.557  102.677   18.533  101.299   11.912 1.378334 22.03089 
1 1 1   -1   10   23 o  376.030   18.527  1776.12  173.973  1408.46  246.235  2142.59  245.836  331.955   30.029  411.487   24.029 -79.53192 38.45964 
1 1 1   -1   10   24 o  383.835   15.303  1848.33  146.680  1748.06  255.110  1897.86  179.278  370.268   27.793  388.521   18.478 -18.25238 33.37538 
1 1 1   -1   10   25 o  728.320   25.794  6728.11  469.125  5660.98  811.800  7263.16  574.823  652.453   50.211  754.380   30.514 -101.9269 58.75555 
1 1 1   -1   10   26 o  389.200   15.471  1903.95  150.359  1627.16  261.631  2040.45  183.732  355.490   29.746  402.382   18.285 -46.89203 34.91616 
1 1 1   -1   10   27 o  163.606   10.115  336.599   41.122  314.303   75.617  345.961   49.001  156.465   19.796  165.650   11.925 -9.184662 23.11071 
1 1 1   -1   10   28 o  278.620   15.696  981.284  108.763  912.851  155.999  1046.01  151.719  266.603   23.678  286.227   21.381 -19.62405 31.90302 
1 1 1   -1   10   29 o  207.522   18.679  549.852   95.763   0.0000   0.0000  549.852   95.763  ?   ?   207.522   18.679 0.000000 18.67925 
1 1 1   -1   10   30 o  299.551   16.756  1138.21  124.839  1001.79  179.040  1267.30  174.159  277.830   26.112  314.269   22.337 -36.43863 34.36290 
1 1 1   -1   10   31 o  158.967   12.359  319.738   48.675  369.944   75.907  284.677   63.434  169.854   18.178  148.944   17.382 20.90985 25.15092 
1 1 1   -1   10   32 o  234.378   14.181  695.318   82.611  722.454  122.358  672.586  111.989  237.089   20.880  229.040   19.774 8.048752 28.75713 
1 1 1   -1   10   33 o  249.158   14.150  785.670   87.675  886.910  130.993  703.512  118.004  263.039   20.094  234.009   20.398 29.03041 28.63294 
1 1 1   -1   10   34 o  166.621   22.002  361.277   89.307  361.277   89.307   0.0000   0.0000  166.621   22.002  ?   ?  0.000000 22.00171 
1 1 1   -1   10   35 o  102.011   14.745  134.122   36.471   79.418   68.246  155.991   43.149   81.042   27.875  109.842   16.219 -28.80014 32.24988 
1 1 1   -1   10   36 o  331.608   18.332  1404.13  151.212  1282.23  220.639  1512.09  207.645  311.898   28.649  341.225   24.532 -29.32709 37.71703 
1 1 1   -1   10   37 o  402.520   20.574  2081.80  206.116  2006.00  298.599  2150.79  284.871  388.202   31.062  404.060   28.413 -15.85797 42.09729 
1 1 1   -1   10   38 o  151.246   15.479  293.257   57.638  151.137  100.364  363.196   70.406  105.936   33.708  168.058   17.011 -62.12195 37.75723 
1 1 1   -1   10   39 o  355.094   26.190  1668.83  230.595   0.0000   0.0000  1668.83  230.595  ?   ?   355.094   26.190 0.000000 26.18978 
1 1 1   -1   10   40 o  345.948   17.856  1543.91  153.732  1684.34  231.829  1433.68  205.386  354.822   26.352  328.125   25.260 26.69684 36.50349 
1 1 1   -1   10   41 o  107.865   14.947  151.603   39.179  173.301   95.714  147.236   42.941  109.718   32.573  105.698   16.833 4.019783 36.66510 
1 1 1   -1   10   42 o  134.307   14.549  234.274   48.014  287.233  107.411  221.049   53.675  140.197   31.454  129.515   17.007 10.68239 35.75761 
1 1 1   -1   10   43 o   92.653   16.389  114.781   36.531   60.368  102.608  122.679   39.093   79.433   32.512   95.643   16.990 -16.21004 36.68378 
1 1 1   -1   10   44 o  296.157   18.595  1170.04  136.823  1101.07  216.840  1215.67  176.365  270.011   32.835  295.615   24.101 -25.60364 40.73098 
1 1 1   -1   10   45 o  168.975   14.449  374.402   60.382  462.611  116.643  342.111   70.575  178.208   27.062  159.377   18.051 18.83136 32.52955 
1 1 1   -1   10   46 o   64.948   17.065   58.270   28.038   78.525  107.687   56.797   29.040   80.803   33.217   64.073   17.607 16.73000 37.59457 
1 1 1   -1   10   47 o  111.110   16.651  168.296   44.777   88.332  120.725  181.051   48.217   82.609   34.664  114.924   17.341 -32.31478 38.75928 
1 1 1   -1   10   48 o  166.436   17.696  382.082   72.421  346.502  241.306  385.604   75.920  112.914   48.258  166.418   18.586 -53.50388 51.71328 
1 1 1   -1   11    1 o  158.734   8.1897  315.986   32.352  314.358   45.987  317.580   45.524  157.959   11.742  158.792   11.560 -0.8330383 16.47750 
1 1 1   -1   11    2 o   50.371   8.2534   32.568   10.022   30.062   14.887   34.644   13.553   48.061   12.341   51.627   10.857 -3.565720 16.43654 
1 1 1   -1   11    3 o  258.272   10.065  835.313   64.916  800.336   91.902  870.144   91.710  251.973   14.669  262.872   14.021 -10.89919 20.29236 
1 1 1   -1   11    4 f  339.802   16.418  1453.30  139.318  1635.08  197.553  1273.44  196.502  358.597   22.170  315.446   25.155 43.15079 33.52987 
1 1 1   -1   11    5 f  402.129   13.477  2030.09  135.340  2020.60  191.461  2039.57  191.337  400.079   19.164  401.977   19.061 -1.897614 27.02921 
1 1 1   -1   11    6 f  101.914   7.5317  130.612   19.032  134.397   27.002  126.875   26.830  103.031   10.649  100.039   10.917 2.992233 15.25063 
1 1 1   -1   11    7 f  308.428   15.979  1199.72  122.652   0.0000   0.0000  1199.72  122.652  ?   ?   308.428   15.979 0.000000 15.97948 
1 1 1   -1   11    8 o  400.779   19.227  2026.15  192.430  2026.15  192.430   0.0000   0.0000  400.779   19.227  ?   ?  0.000000 19.22730 
1 1 1   -1   11    9 o  187.480   8.5783  439.716   40.161  420.928   56.707  458.623   56.887  182.812   12.497  190.921   11.993 -8.108368 17.32024 
1 1 1   -1   11   10 o  371.540   12.718  1730.26  117.996  1666.37  166.729  1794.37  167.013  363.388   18.434  377.677   17.708 -14.28867 25.56158 
1 1 1   -1   11   11 o  487.688   15.599  2985.24  189.968  2955.61  268.585  3014.90  268.724  483.961   22.224  488.840   22.014 -4.878815 31.28097 
1 1 1   -1   11   12 o  497.892   22.552  3125.27  280.396  2846.04  395.963  3406.14  397.119  471.158   33.880  516.732   30.917 -45.57355 45.86678 
1 1 1   -1   11   13 o  547.246   24.691  3777.91  337.415  3623.83  476.800  3932.48  477.553  531.737   36.122  554.572   34.657 -22.83521 50.05939 
1 1 1   -1   11   14 o  403.261   19.092  2041.84  192.261  2222.48  272.216  1862.03  271.582  418.911   26.153  382.740   28.622 36.17050 38.77102 
1 1 1   -1   11   15 o  516.641   23.365  3358.69  301.444  3163.90  425.782  3554.45  426.831  498.057   34.446  528.630   32.491 -30.57285 47.35149 
1 1 1   -1   11   16 o  654.553   29.034  5410.29  474.571  5522.95  671.127  5297.62  671.163  656.425   41.150  642.473   42.066 13.95209 58.84586 
1 1 1   -1   11   17 o  264.847   10.209  877.008   67.518  879.497   95.462  874.517   95.507  264.645   14.500  263.887   14.550 0.7582092 20.54122 
1 1 1   -1   11   18 o  660.384   23.767  5485.00  391.944  5563.74  679.205  5445.70  479.911  659.017   41.484  656.785   29.261 2.232056 50.76496 
1 1 1   -1   11   19 o  329.079   13.381  1355.31  109.963  1147.54  190.205  1459.61  134.767  300.820   25.562  341.349   15.810 -40.52863 30.05645 
1 1 1   -1   11   20 o  836.844   29.565  8847.68  617.827  8529.91  1069.80  9006.71  756.792  809.585   53.212  841.956   35.995 -32.37030 64.24306 
1 1 1   -1   11   21 o  698.455   24.777  6145.07  432.152  5298.89  747.484  6569.91  529.640  639.717   47.123  720.899   29.421 -81.18237 55.55313 
1 1 1   -1   11   22 o  345.839   14.193  1498.14  122.571  1338.94  212.918  1577.05  149.901  324.625   26.496  354.592   16.929 -29.96658 31.44247 
1 1 1   -1   11   23 o  129.084   9.6723  209.565   30.952  221.267   56.576  204.567   36.976  131.596   17.662  127.302   11.764 4.294106 21.22152 
1 1 1   -1   11   24 o  366.375   18.297  1687.69  167.404  1543.24  237.519  1830.27  235.977  347.782   27.575  379.600   25.034 -31.81863 37.24392 
1 1 1   -1   11   25 o  183.221   10.260  421.529   46.753  479.903   84.116  395.434   56.241  194.561   17.500  177.155   12.799 17.40565 21.68125 
1 1 1   -1   11   26 o  383.560   14.770  1848.22  141.472  2069.76  247.449  1740.64  172.433  402.971   24.709  371.099   18.667 31.87134 30.96777 
1 1 1   -1   11   27 o  312.631   13.404  1227.57  104.645  935.940  182.751  1369.84  127.643  269.139   27.581  329.925   15.493 -60.78665 31.63442 
1 1 1   -1   11   28 o  337.628   14.200  1434.14  119.721  1263.27  209.506  1516.99  145.887  312.700   27.098  346.709   16.850 -34.00888 31.90941 
1 1 1   -1   11   29 o  295.269   12.588  1095.86   92.818  1203.99  164.771  1045.60  112.337  306.787   21.647  287.472   15.708 19.31522 26.74540 
1 1 1   -1   11   30 o  509.529   34.702  3433.17  438.917   0.0000   0.0000  3433.17  438.917  ?   ?   509.529   34.702 0.000000 34.70219 
1 1 1   -1   11   31 o  136.050   9.4428  233.205   31.883  358.638   67.094  196.621   36.235  167.664   16.228  124.525   11.793 43.13899 20.06043 
1 1 1   -1   11   32 o  177.779   12.333  399.503   54.414   0.0000   0.0000  399.503   54.414  ?   ?   177.779   12.333 0.000000 12.33326 
1 1 1   -1   11   33 o  108.696   24.018  157.537   63.455  157.537   63.455   0.0000   0.0000  108.696   24.018  ?   ?  0.000000 24.01764 
1 1 1   -1   11   34 o  214.135   15.170  582.345   80.596  450.009  120.324  690.036  108.544  184.621   26.888  232.164   18.886 -47.54236 32.85834 
1 1 1   -1   11   35 o  169.631   22.689  375.415   93.703  375.415   93.703   0.0000   0.0000  169.631   22.689  ?   ?  0.000000 22.68917 
1 1 1   -1   11   36 o  235.955   14.520  706.215   85.141  756.544  131.079  669.483  111.981  241.887   21.939  228.158   19.852 13.72942 29.58774 
1 1 1   -1   11   37 o  104.842   15.388  142.069   39.088   62.255   77.551  169.249   45.257   77.909   29.320  114.402   16.303 -36.49217 33.54797 
1 1 1   -1   11   38 o  112.032   13.834  161.057   37.881  261.003   83.458  135.123   42.513  139.842   24.808  101.651   17.372 38.19042 30.28524 
1 1 1   -1   11   39 o  256.396   16.030  840.314  102.120  815.142  158.808  858.061  133.344  247.892   26.044  257.016   20.959 -9.124573 33.42953 
1 1 1   -1   11   40 o  149.711   17.161  290.902   62.998   0.0000   0.0000  290.902   62.998  ?   ?   149.711   17.161 0.000000 17.16069 
1 1 1   -1   11   41 o  198.861   15.253  509.222   75.166  488.079  130.350  519.755   92.003  187.754   28.714  199.427   18.692 -11.67255 34.26255 
1 1 1   -1   11   42 o  103.010   16.288  140.112   40.506   21.096   98.224  164.499   44.463   72.101   30.801  111.740   16.425 -39.63972 34.90665 
1 1 1   -1   11   43 o   88.281   15.747  103.787   33.441  128.129  100.203  100.736   35.475   94.923   33.694   86.528   17.024 8.395523 37.75089 
1 1 1   -1   11   44 o  206.576   14.921  556.860   76.451  737.949  146.451  489.025   89.634  228.409   26.147  190.950   19.052 37.45879 32.35192 
1 1 1   -1   11   45 f  136.381   37.773  310.871  133.058  310.871  133.058   0.0000   0.0000  136.381   37.773  ?   ?  0.000000 37.77339 
1 1 1   -1   11   46 o  145.658   14.765  280.295   52.963  366.692  117.388  258.213   59.347  153.334   31.704  138.193   17.596 15.14085 36.26029 
1 1 1   -1   11   47 o  115.682   16.913  182.145   47.415   42.486  120.031  207.968   51.613   75.685   33.178  123.567   17.192 -47.88241 37.36795 
1 1 1   -1   11   48 o  117.053   16.058  186.554   45.702  240.062  130.812  179.115   48.775  111.577   38.580  113.644   17.769 -2.066559 42.47511 
1 1 1   -1   12    1 o  100.700   7.6915  127.501   19.195  120.716   27.627  133.833   26.689   97.517   11.571  102.882   10.537 -5.365150 15.64966 
1 1 1   -1   12    2 o  228.709   9.3750  654.342   53.543  648.189   75.958  660.419   75.487  227.010   13.459  229.175   13.247 -2.164642 18.88457 
1 1 1   -1   12    3 o  103.994   7.5220  135.910   19.402  138.400   27.887  133.574   27.011  104.587   10.835  102.747   10.684 1.839737 15.21632 
1 1 1   -1   12    4 o  406.216   13.588  2069.30  137.835  2058.39  195.056  2080.18  194.800  404.249   19.322  406.406   19.195 -2.157623 27.23573 
1 1 1   -1   12    5 o  197.067   8.8546  485.810   43.575  441.027   61.765  530.185   61.483  187.078   13.308  205.358   12.042 -18.28052 17.94753 
1 1 1   -1   12    6 o  239.870   13.472  723.795   80.372  798.540  113.957  649.815  113.373  251.234   18.290  226.130   20.293 25.10345 27.31876 
1 1 1   -1   12    7 o  236.999   9.6126  702.841   56.890  687.142   80.471  718.528   80.439  233.660   13.853  238.997   13.534 -5.337311 19.36659 
1 1 1   -1   12    8 o  441.322   14.541  2443.51  160.251  2502.56  226.697  2384.52  226.562  445.599   20.373  434.864   20.863 10.73483 29.16039 
1 1 1   -1   12    9 o  390.291   13.196  1909.05  128.607  1968.31  181.906  1849.83  181.850  395.605   18.413  383.426   18.992 12.17917 26.45313 
1 1 1   -1   12   10 o  265.456   10.199  881.668   67.611  874.365   95.517  889.001   95.716  263.674   14.563  265.890   14.470 -2.216095 20.52948 
1 1 1   -1   12   11 o  454.342   14.615  2587.47  165.814  2495.84  234.341  2679.33  234.652  445.294   21.074  461.496   20.361 -16.20160 29.30363 
1 1 1   -1   12   12 o  362.149   12.539  1641.85  113.395  1631.72  160.294  1652.01  160.437  360.549   17.803  362.794   17.709 -2.245514 25.11110 
1 1 1   -1   12   13 o  476.083   15.483  2840.54  184.072  2785.91  260.192  2895.28  260.443  470.569   22.142  479.783   21.738 -9.214081 31.02916 
1 1 1   -1   12   14 o  490.181   15.605  3010.75  191.011  2892.56  269.916  3129.32  270.345  479.542   22.540  498.915   21.699 -19.37372 31.28733 
1 1 1   -1   12   15 o   93.642   7.8995  110.361   18.300  110.275   25.980  110.446   25.782   93.203   11.400   93.290   11.297 -0.8731842E-01 16.04937 
1 1 1   -1   12   16 o  495.345   15.938  3074.04  197.145  2979.14  278.642  3169.16  278.968  486.759   22.924  502.144   22.247 -15.38535 31.94416 
1 1 1   -1   12   17 o   98.522   8.1918  122.140   19.971  126.960   28.185  117.280   28.304  100.098   11.483   96.075   12.063 4.022972 16.65493 
1 1 1   -1   12   18 o  556.162   17.639  3877.88  244.979  3840.98  346.387  3914.81  346.518  552.357   25.113  557.682   24.882 -5.324951 35.35198 
1 1 1   -1   12   19 o  610.244   19.154  4672.59  291.882  4619.50  412.670  4725.74  412.898  605.242   27.304  612.228   27.007 -6.985901 38.40424 
1 1 1   -1   12   20 o  248.691   11.619  773.678   72.160  742.125  125.493  789.264   88.199  242.165   20.958  250.674   14.148 -8.508896 25.28658 
1 1 1   -1   12   21 o  845.110   36.762  9097.77  775.828  8460.57  1096.18  9737.32  1098.20  803.603   54.954  865.063   51.064 -61.46039 75.01652 
1 1 1   -1   12   22 o  411.410   15.983  2122.24  164.205  1940.01  284.707  2213.07  201.004  390.343   29.424  419.735   19.177 -29.39270 35.12188 
1 1 1   -1   12   23 o  398.112   15.769  1988.15  156.766  1838.31  272.439  2062.33  191.679  379.683   28.952  405.053   18.950 -25.37000 34.60263 
1 1 1   -1   12   24 o  413.536   15.956  2146.96  164.772  2179.53  286.583  2130.87  201.387  413.449   27.921  411.413   19.602 2.036438 34.11475 
1 1 1   -1   12   25 o  405.289   19.400  2070.16  196.340  2112.43  278.962  2028.67  276.389  406.583   27.640  398.300   27.965 8.283600 39.31937 
1 1 1   -1   12   26 o  386.711   14.498  1878.54  140.002  2199.36  245.034  1723.05  170.588  415.698   23.703  369.665   18.479 46.03293 30.05523 
1 1 1   -1   12   27 o  405.373   15.239  2067.74  154.264  2351.05  269.918  1930.32  187.993  428.648   25.329  390.770   19.265 37.87817 31.82274 
1 1 1   -1   12   28 o   79.385   10.105   80.253   19.577  134.997   43.461   66.317   21.928  101.953   17.713   71.606   12.729 30.34711 21.81283 
1 1 1   -1   12   29 o  429.575   16.946  2332.20  181.784  2083.37  316.691  2454.48  221.999  398.738   32.077  439.569   20.224 -40.83109 37.92006 
1 1 1   -1   12   30 o  310.677   13.524  1215.25  104.921  1042.87  184.861  1297.17  127.435  283.393   26.427  320.463   15.924 -37.07047 30.85386 
1 1 1   -1   12   31 o  152.687   17.073  298.683   63.983   0.0000   0.0000  298.683   63.983  ?   ?   152.687   17.073 0.000000 17.07312 
1 1 1   -1   12   32 o  347.725   14.461  1525.55  125.568  1492.56  222.799  1540.91  152.010  338.879   26.540  348.202   17.538 -9.322998 31.81142 
1 1 1   -1   12   33 o  316.787   13.413  1264.68  106.104  1204.32  189.699  1292.16  128.000  304.684   25.157  319.169   16.112 -14.48553 29.87448 
1 1 1   -1   12   34 o  185.053   10.603  431.509   48.793  411.303   95.719  438.602   56.715  177.983   22.005  186.288   12.260 -8.305756 25.18983 
1 1 1   -1   12   35 o  135.993   10.858  233.862   36.565  122.487   79.081  264.148   41.238   96.467   29.812  144.474   11.526 -48.00645 31.96296 
1 1 1   -1   12   36 o  200.327   13.969  509.072   69.445  548.740  109.977  482.767   89.558  205.812   21.727  193.837   18.736 11.97502 28.68925 
1 1 1   -1   12   37 o  210.217   11.515  557.858   60.216  506.460  120.420  574.996   69.534  196.240   25.152  213.086   13.131 -16.84599 28.37349 
1 1 1   -1   12   38 o  156.845   10.984  311.117   42.752  266.261   98.455  321.540   47.459  139.821   29.143  159.267   12.022 -19.44519 31.52468 
1 1 1   -1   12   39 o  155.417   11.356  306.128   43.767  149.418  101.343  342.057   48.525  105.153   33.916  164.212   11.915 -59.05865 35.94806 
1 1 1   -1   12   40 o  147.365   10.344  275.067   37.825  487.267  102.242  241.419   40.713  192.471   21.648  137.667   11.962 54.80400 24.73285 
1 1 1   -1   12   41 o  196.705   11.917  492.194   58.259  359.854  129.101  526.035   65.285  158.077   33.733  203.047   12.943 -44.97063 36.13039 
1 1 1   -1   12   42 o  103.449   16.816  141.598   41.948   0.0000   0.0000  141.598   41.948  ?   ?   103.449   16.816 0.000000 16.81573 
1 1 1   -1   12   43 o   58.848   16.761   46.307   25.819 -43.9116   94.954   53.510   26.829   60.271   27.673   63.011   16.759 -2.739918 32.35215 
1 1 1   -1   12   44 o   86.487   16.774  100.909   34.920   3.4808  106.603  112.620   36.960   69.958   30.943   91.478   16.798 -21.52065 35.20900 
1 1 1   -1   12   45 o  169.157   15.781  377.508   65.891  356.890  137.855  383.613   75.015  147.441   37.388  169.177   18.034 -21.73633 41.51003 
1 1 1   -1   12   46 o  208.162   35.343  693.275  177.151  693.275  177.151   0.0000   0.0000  208.162   35.343  ?   ?  0.000000 35.34335 
1 1 1   -1   12   47 o   80.515   16.642   89.119   32.355  183.717  116.968   81.281   33.669  103.421   36.437   76.327   17.963 27.09396 40.62418 
1 1 1   -1   12   48 o  128.510   16.720  225.173   52.386  114.201  132.425  245.761   57.039   87.158   36.420  133.818   17.487 -46.66025 40.40063 
1 1 1   -1   13    1 o   85.710   11.021   93.424   23.042  108.334   32.385   78.135   32.793   91.858   14.607   77.389   17.392 14.46860 22.71255 
1 1 1   -1   13    2 o  177.422   8.3455  393.523   36.975  380.709   52.684  405.961   51.907  173.964   12.205  179.728   11.628 -5.763870 16.85695 
1 1 1   -1   13    3 o  255.966   9.4819  819.399   60.608  864.810   86.089  774.775   85.341  262.766   13.120  248.289   13.819 14.47733 19.05486 
1 1 1   -1   13    4 o  255.034   9.9830  813.624   63.578  820.564   90.273  806.793   89.558  255.485   14.206  253.325   14.215 2.160370 20.09609 
1 1 1   -1   13    5 o  674.181   20.787  5721.82  349.953  5565.06  494.882  5878.62  494.934  661.984   29.937  680.687   29.117 -18.70282 41.76135 
1 1 1   -1   13    6 o  243.833   13.886  747.473   84.202   0.0000   0.0000  747.473   84.202  ?   ?   243.833   13.886 0.000000 13.88614 
1 1 1   -1   13    7 o  179.576   17.265  408.581   76.468  408.581   76.468   0.0000   0.0000  179.576   17.265  ?   ?  0.000000 17.26499 
1 1 1   -1   13    8 o  138.875   11.167  242.913   38.399  246.327   54.250  239.486   54.359  139.242   15.886  137.227   16.174 2.015686 22.67077 
1 1 1   -1   13    9 o  261.582   10.198  855.930   66.613  846.098   94.174  865.776   94.237  259.419   14.596  262.447   14.435 -3.028473 20.52830 
1 1 1   -1   13   10 o  505.477   16.107  3204.34  203.320  3361.91  287.685  3047.09  287.390  516.716   22.295  491.718   23.405 24.99866 32.32441 
1 1 1   -1   13   11 o  655.596   20.034  5401.32  327.986  5475.22  463.851  5327.42  463.833  657.981   28.230  648.924   28.623 9.057434 40.20237 
1 1 1   -1   13   12 o  551.103   17.203  3809.45  236.748  3529.73  334.402  4090.54  335.224  529.087   25.310  569.943   23.553 -40.85638 34.57387 
1 1 1   -1   13   13 o  701.046   21.666  6178.66  379.300  6250.32  536.432  6107.02  536.390  702.723   30.569  694.510   30.928 8.213074 43.48560 
1 1 1   -1   13   14 o  324.737   11.637  1319.19   94.370  1315.85  133.364  1322.55  133.555  323.591   16.560  324.417   16.541 -0.8265686 23.40533 
1 1 1   -1   13   15 o  337.990   11.796  1429.06   99.562  1333.14  140.562  1525.65  141.044  325.633   17.348  348.933   16.187 -23.29941 23.72713 
1 1 1   -1   13   16 o  362.811   12.507  1646.98  113.316  1670.71  160.232  1623.23  160.276  365.044   17.577  359.797   17.839 5.246735 25.04346 
1 1 1   -1   13   17 o  394.804   13.094  1950.63  129.096  1828.10  182.299  2073.88  182.839  381.227   19.211  406.674   18.004 -25.44760 26.32884 
1 1 1   -1   13   18 o  409.834   13.728  2102.50  140.501  2111.53  198.675  2093.48  198.721  410.196   19.395  408.429   19.484 1.766876 27.49196 
1 1 1   -1   13   19 o  563.235   17.702  3978.15  248.972  3969.43  352.017  3986.88  352.183  561.390   25.110  562.631   25.067 -1.240906 35.48020 
1 1 1   -1   13   20 o  202.661   8.3542  513.336   42.279  471.748   59.495  555.765   60.093  193.770   12.360  210.464   11.477 -16.69357 16.86697 
1 1 1   -1   13   21 o  523.273   19.324  3438.83  252.505  3011.99  436.856  3652.98  309.430  484.883   36.343  538.667   23.003 -53.78351 43.01133 
1 1 1   -1   13   22 o  263.250   11.904  867.410   78.255  813.669  136.168  893.913   95.623  253.332   21.735  266.704   14.411 -13.37215 26.07868 
1 1 1   -1   13   23 o  292.623   12.756  1072.59   93.215  980.216  161.759  1118.51  114.056  277.707   23.547  298.216   15.368 -20.50842 28.11848 
1 1 1   -1   13   24 o  216.911   11.330  590.763   61.155  459.340  107.300  653.995   74.427  189.298   23.183  228.047   13.125 -38.74892 26.64079 
1 1 1   -1   13   25 f  488.169   18.060  3000.71  220.164  3184.24  382.692  2909.92  269.170  497.966   30.928  479.623   22.474 18.34274 38.23094 
1 1 1   -1   13   26 o  184.172   12.985  427.731   59.337  404.586   86.592  448.220   81.473  177.904   19.829  187.803   17.577 -9.898682 26.49752 
1 1 1   -1   13   27 o  421.613   15.901  2238.79  167.412  2531.61  292.484  2096.12  204.164  444.217   26.487  406.911   20.092 37.30591 33.24558 
1 1 1   -1   13   28 o  352.750   14.234  1565.92  125.382  1601.11  219.585  1548.90  152.727  352.974   25.075  350.134   17.467 2.839874 30.55945 
1 1 1   -1   13   29 o  361.768   14.973  1649.88  135.267  1406.25  236.227  1768.74  164.995  328.521   29.096  373.871   17.673 -45.34955 34.04243 
1 1 1   -1   13   30 o   96.703   9.9657  118.526   23.721  180.064   51.658  102.082   26.703  117.894   18.127   89.288   12.303 28.60657 21.90786 
1 1 1   -1   13   31 o  249.971   14.303  790.411   88.914   0.0000   0.0000  790.411   88.914  ?   ?   249.971   14.303 0.000000 14.30330 
1 1 1   -1   13   32 o  209.970   18.937  564.671   98.224   0.0000   0.0000  564.671   98.224  ?   ?   209.970   18.937 0.000000 18.93691 
1 1 1   -1   13   33 o  513.958   35.257  3523.44  449.768   0.0000   0.0000  3523.44  449.768  ?   ?   513.958   35.257 0.000000 35.25688 
1 1 1   -1   13   34 o  310.508   13.429  1215.34  104.125  1184.61  187.096  1229.12  125.327  302.113   25.025  311.197   16.183 -9.083008 29.80164 
1 1 1   -1   13   35 o  282.193   12.946  1003.42   91.228  899.940  166.258  1048.00  109.123  262.652   25.677  287.498   15.254 -24.84558 29.86624 
1 1 1   -1   13   36 o  116.833   10.906  173.057   31.450   93.052   75.666  189.764   34.578   86.634   29.358  122.298   11.456 -35.66380 31.51428 
1 1 1   -1   13   37 o   87.384   11.419   97.686   24.322   79.758   73.741   99.875   25.764   82.088   28.930   88.264   12.000 -6.176735 31.31972 
1 1 1   -1   13   38 o  190.540   15.154  462.961   71.507  379.129  115.577  514.952   91.019  167.792   28.610  200.057   18.426 -32.26471 34.02991 
1 1 1   -1   13   39 o   85.621   11.900   94.218   24.756 -23.1038   82.546  105.814   25.951   60.697   27.018   90.865   11.709 -30.16825 29.44657 
1 1 1   -1   13   40 o  162.402   10.819  334.137   43.625  421.107  108.095  317.215   47.681  177.327   25.113  157.908   12.186 19.41833 27.91333 
1 1 1   -1   13   41 o  135.902   10.596  234.682   35.677  407.158  104.755  212.051   37.946  173.629   24.871  128.835   11.930 44.79341 27.58396 
1 1 1   -1   13   42 o  101.068   11.371  131.148   28.201  116.681  100.070  132.396   29.392   93.659   33.626  101.442   11.825 -7.782852 35.64474 
1 1 1   -1   13   43 o  153.159   17.396  309.371   65.353   0.0000   0.0000  309.371   65.353  ?   ?   153.159   17.396 0.000000 17.39583 
1 1 1   -1   13   44 o   74.266   12.406   72.428   22.197   68.618  107.424   72.598   22.686   81.663   33.327   74.277   12.686 7.386436 35.66027 
1 1 1   -1   13   45 o  197.467   12.037  502.127   59.075  549.772  149.670  493.334   64.295  189.961   32.733  195.086   13.277 -5.125427 35.32318 
1 1 1   -1   13   46 o  175.209   12.022  396.733   52.281  370.933  151.350  400.229   55.711  145.816   40.247  175.592   12.793 -29.77626 42.23124 
1 1 1   -1   13   47 o  132.201   16.710  235.625   53.934  230.853  151.709  236.316   57.703  111.616   41.204  131.628   18.029 -20.01173 44.97539 
1 1 1   -1   13   48 o  152.680   11.327  302.692   42.880  558.424  141.830  276.966   44.985  187.018   31.488  145.402   12.511 41.61624 33.88236 
1 1 1   -1   14    1 o  621.724   19.274  4854.98  299.238  5083.78  423.638  4627.15  422.737  634.476   26.738  604.986   27.982 29.48999 38.70266 
1 1 1   -1   14    2 o  219.653   8.5252  603.123   46.762  793.331   66.986  422.321   65.309  251.837   10.652  183.044   14.404 68.79236 17.91474 
1 1 1   -1   14    3 o  425.712   20.065  2277.70  213.304  2328.52  301.738  2226.93  301.578  428.138   28.384  418.487   29.038 9.650391 40.60553 
1 1 1   -1   14    4 o  558.972   17.353  3920.60  242.221  4032.17  342.884  3809.46  342.222  565.532   24.279  549.547   24.937 15.98541 34.80473 
1 1 1   -1   14    5 o  185.521   12.192  432.647   56.169   0.0000   0.0000  432.647   56.169  ?   ?   185.521   12.192 0.000000 12.19218 
1 1 1   -1   14    6 o  334.986   16.228  1407.25  135.750  1407.25  135.750   0.0000   0.0000  334.986   16.228  ?   ?  0.000000 16.22787 
1 1 1   -1   14    7 o  340.670   11.987  1452.51  101.972  1428.68  144.359  1476.24  144.063  337.007   17.211  343.048   16.817 -6.041504 24.06293 
1 1 1   -1   14    8 o  118.848   7.8302  177.305   23.109  187.262   32.888  167.594   32.478  121.861   10.923  115.168   11.444 6.692703 15.82058 
1 1 1   -1   14    9 o  318.789   16.278  1277.54  129.154  1297.18  182.698  1257.92  182.605  320.169   23.004  315.195   23.366 4.974091 32.78977 
1 1 1   -1   14   10 o  260.147   14.323  850.239   92.689  917.098  131.138  783.497  131.025  269.513   19.620  248.734   21.300 20.77873 28.95886 
1 1 1   -1   14   11 o  576.906   18.071  4176.00  260.342  4270.09  368.229  4081.96  368.129  581.996   25.337  568.906   25.912 13.09015 36.24084 
1 1 1   -1   14   12 o  962.846   29.117 11718.74  700.085 11792.25  990.045 11645.22  990.094  959.936   41.301  953.782   41.570 6.154541 58.59883 
1 1 1   -1   14   13 o  541.225   17.127  3672.68  231.478  3779.92  327.397  3565.49  327.321  547.988   23.925  532.089   24.634 15.89923 34.34026 
1 1 1   -1   14   14 o  274.049   10.537  939.179   72.112  933.971  101.780  944.428  102.184  272.663   15.006  274.193   14.980 -1.530334 21.20347 
1 1 1   -1   14   15 o  238.244   9.7527  709.627   58.023  719.745   81.881  699.421   82.234  239.391   13.755  235.948   14.020 3.442429 19.64039 
1 1 1   -1   14   16 o  203.286   9.0248  516.557   45.814  535.119   64.670  497.857   64.911  206.415   12.607  199.019   13.135 7.395950 18.20574 
1 1 1   -1   14   17 o  356.985   12.329  1594.50  109.912  1727.19  155.553  1462.20  155.325  371.213   16.781  340.943   18.311 30.27072 24.83676 
1 1 1   -1   14   18 o  597.219   18.294  4474.21  272.825  4343.63  385.507  4605.23  386.159  586.982   26.300  604.556   25.579 -17.57404 36.68738 
1 1 1   -1   14   19 o  494.276   15.502  3061.07  191.344  2908.89  270.283  3213.96  270.919  480.907   22.506  505.665   21.455 -24.75757 31.09424 
1 1 1   -1   14   20 o  304.100   10.964  1156.80   83.261  1091.46  117.470  1222.76  118.029  294.647   16.026  312.389   15.130 -17.74191 22.03941 
1 1 1   -1   14   21 o  218.980   9.3040  599.593   50.877  554.494   71.552  645.712   72.357  209.961   13.722  226.738   12.832 -16.77699 18.78725 
1 1 1   -1   14   22 o  346.762   13.770  1506.67  119.235  1457.16  206.662  1531.37  145.982  338.853   24.591  349.299   16.736 -10.44693 29.74538 
1 1 1   -1   14   23 o  423.548   16.129  2252.18  170.593  2269.11  295.936  2243.75  208.771  421.865   28.255  422.171   19.803 -0.3057251 34.50341 
1 1 1   -1   14   24 o  389.294   15.399  1903.00  149.695  1694.29  259.553  2007.03  183.242  363.697   28.814  399.315   18.376 -35.61810 34.17518 
1 1 1   -1   14   25 o  464.449   17.666  2716.36  204.896  2549.66  355.287  2799.44  250.806  444.553   32.223  470.583   21.343 -26.03018 38.64992 
1 1 1   -1   14   26 o  452.694   16.988  2581.93  192.040  2751.48  334.143  2498.31  234.668  462.497   29.080  444.207   21.155 18.28976 35.96072 
1 1 1   -1   14   27 o  691.036   30.958  6166.75  534.233  6438.82  756.954  5896.73  754.093  693.468   43.938  661.477   45.937 31.99109 63.56694 
1 1 1   -1   14   28 o  288.763   12.408  1047.55   89.472  1095.39  157.855  1024.91  108.602  292.666   21.755  284.765   15.329 7.901550 26.61260 
1 1 1   -1   14   29 o  330.629   14.119  1376.85  116.573  1196.29  204.186  1464.16  141.988  303.536   27.227  340.361   16.706 -36.82568 31.94386 
1 1 1   -1   14   30 o  200.866   11.279  508.336   56.346  394.065  102.151  558.310   67.553  173.767   24.198  210.252   12.929 -36.48543 27.43509 
1 1 1   -1   14   31 o  222.749   11.545  625.183   63.996  555.631  116.105  655.536   76.700  207.179   22.820  227.722   13.549 -20.54283 26.53913 
1 1 1   -1   14   32 o  108.012   10.277  147.750   27.387  182.940   60.878  138.821   30.665  117.965   21.456  104.396   11.980 13.56894 24.57422 
1 1 1   -1   14   33 o  552.989   20.993  3905.55  289.898  3617.56  505.395  4046.77  353.909  516.620   39.474  560.067   25.305 -43.44672 46.88820 
1 1 1   -1   14   34 o  103.846   17.275  140.258   43.224   0.0000   0.0000  140.258   43.224  ?   ?   103.846   17.275 0.000000 17.27497 
1 1 1   -1   14   35 o  234.343   12.075  692.958   70.421  575.340  131.499  740.254   83.386  209.518   25.670  241.832   13.866 -32.31400 29.17570 
1 1 1   -1   14   36 o  200.796   11.155  508.543   55.712  516.266  111.386  505.966   64.339  199.216   22.801  199.936   12.956 -0.7197266 26.22460 
1 1 1   -1   14   37 o  113.124   10.841  162.361   30.250  138.274   80.427  166.331   32.647  101.426   29.792  114.382   11.590 -12.95650 31.96650 
1 1 1   -1   14   38 o  334.087   14.098  1411.87  117.619  1426.11  216.138  1405.88  140.195  329.508   26.491  332.010   16.966 -2.501373 31.45842 
1 1 1   -1   14   39 o  135.327   14.572  234.820   48.468  221.274   93.544  239.791   56.668  126.603   30.040  136.128   17.044 -9.524651 34.53863 
1 1 1   -1   14   40 o  260.666   12.537  860.018   81.606  899.344  161.707  846.580   94.525  260.255   25.197  257.554   14.758 2.700958 29.20113 
1 1 1   -1   14   41 o  270.937   13.253  933.194   89.668  820.517  175.474  973.015  104.316  244.438   29.333  275.486   15.223 -31.04865 33.04758 
1 1 1   -1   14   42 o  178.948   11.172  407.455   49.675  521.556  124.799  385.974   54.150  194.969   26.304  173.716   12.567 21.25327 29.15207 
1 1 1   -1   14   43 o   95.173   10.987  116.519   25.632  310.406  107.117  104.743   26.399  146.232   30.328   89.894   12.064 56.33723 32.63969 
1 1 1   -1   14   44 o  119.163   16.892  188.891   48.859   0.0000   0.0000  188.891   48.859  ?   ?   119.163   16.892 0.000000 16.89207 
1 1 1   -1   14   45 o  236.733   12.401  721.859   73.053  942.455  173.698  674.454   80.521  256.072   27.599  227.704   14.232 28.36780 31.05287 
1 1 1   -1   14   46 o  186.702   12.009  449.963   55.691  479.490  154.797  445.573   59.687  171.047   37.292  185.278   12.982 -14.23151 39.48749 
1 1 1   -1   14   47 o   60.642   13.413   49.558   19.774   34.785  140.678   49.856   19.972   79.132   35.244   60.805   13.505 18.32705 37.74319 
1 1 1   -1   14   48 o  214.496   12.341  599.351   65.824  657.745  156.877  586.874   72.516  203.014   32.005  211.134   13.830 -8.119659 34.86506 
1 1 1   -1   15    1 o  682.628   20.744  5858.37  353.610  6399.29  500.964  5321.25  499.200  711.383   28.200  647.896   30.854 63.48615 41.80014 
1 1 1   -1   15    2 o  453.378   13.784  2574.24  156.059  2798.01  221.423  2353.37  219.986  472.065   18.783  432.724   20.358 39.34070 27.69935 
1 1 1   -1   15    3 o  401.804   12.916  2021.12  129.593  2188.65  183.837  1855.63  182.714  417.651   17.627  384.411   19.034 33.24026 25.94189 
1 1 1   -1   15    4 o  172.011   11.548  371.863   49.314  484.332   70.486  264.030   69.018  196.097   14.497  143.656   19.763 52.44139 24.50953 
1 1 1   -1   15    5 o  315.447   15.891  1250.47  124.776  1413.92  176.978  1088.94  175.945  334.663   21.287  292.992   24.266 41.67081 32.27993 
1 1 1   -1   15    6 o  721.436   22.215  6548.54  400.211  6486.28  566.094  6610.74  565.875  715.177   31.697  722.117   31.381 -6.939453 44.60349 
1 1 1   -1   15    7 o  757.658   23.003  7226.10  435.226  7523.35  616.012  6929.83  614.995  770.158   32.030  738.674   33.340 31.48407 46.23306 
1 1 1   -1   15    8 o  200.551   9.0715  502.822   45.431  446.684   64.404  558.423   64.095  188.369   13.787  210.888   12.223 -22.51930 18.42557 
1 1 1   -1   15    9 o  460.351   15.021  2655.07  172.673  2647.05  244.280  2663.09  244.114  458.865   21.318  460.265   21.239 -1.400421 30.09259 
1 1 1   -1   15   10 o  190.270   8.8734  452.556   42.161  415.637   59.658  489.393   59.592  181.736   13.236  197.391   12.149 -15.65495 17.96635 
1 1 1   -1   15   11 o  314.683   16.057  1244.28  125.761  1344.72  178.009  1144.19  177.698  326.302   21.974  300.544   23.873 25.75763 32.44677 
1 1 1   -1   15   12 o  576.197   25.830  4185.18  371.667  4336.79  525.813  4033.80  525.422  582.781   36.311  561.490   37.691 21.29083 52.33667 
1 1 1   -1   15   13 o  291.793   10.971  1064.90   79.945  1025.61  112.870  1104.46  113.249  285.655   15.886  296.528   15.346 -10.87271 22.08769 
1 1 1   -1   15   14 o  216.997   9.5918  588.691   51.976  638.515   73.400  538.581   73.610  225.490   13.092  206.900   14.336 18.58998 19.41386 
1 1 1   -1   15   15 o  377.826   13.020  1786.63  122.847  1812.49  173.609  1760.69  173.856  380.113   18.290  374.614   18.585 5.499146 26.07501 
1 1 1   -1   15   16 o  422.569   14.016  2235.72  147.901  2283.44  209.066  2187.91  209.262  426.489   19.630  417.421   20.075 9.067841 28.07791 
1 1 1   -1   15   17 o  299.595   10.525  1122.48   78.743  1071.02  110.970  1174.68  111.753  291.995   15.272  306.256   14.613 -14.26132 21.13655 
1 1 1   -1   15   18 o  577.603   17.989  4185.54  259.473  4081.08  366.666  4290.33  367.236  568.918   25.809  583.452   25.205 -14.53387 36.07494 
1 1 1   -1   15   19 o  444.930   14.125  2479.39  156.944  2443.29  221.768  2515.61  222.138  440.978   20.139  447.493   19.879 -6.514709 28.29707 
1 1 1   -1   15   20 o  139.596   8.3229  244.458   28.881  254.566   40.498  233.997   41.200  142.169   11.506  136.182   12.246 5.987015 16.80334 
1 1 1   -1   15   21 o  826.135   24.771  8616.42  511.027  8530.29  722.547  8702.61  722.855  817.323   35.402  825.715   35.057 -8.391785 49.82204 
1 1 1   -1   15   22 o  545.847   17.027  3742.02  232.090  3637.63  327.940  3846.77  328.509  536.511   24.477  551.889   23.837 -15.37817 34.16619 
1 1 1   -1   15   23 o  630.245   22.789  5018.11  358.657  4458.32  620.431  5299.07  439.540  584.114   42.834  646.030   27.246 -61.91687 50.76451 
1 1 1   -1   15   24 o  792.020   28.381  7994.58  561.328  7534.68  971.728  8224.90  687.668  749.525   52.244  799.523   34.443 -49.99817 62.57542 
1 1 1   -1   15   25 o  173.882   10.043  379.875   43.423  420.184   77.323  361.306   52.479  181.867   17.231  169.267   12.504 12.59955 21.28995 
1 1 1   -1   15   26 o  519.325   19.261  3408.91  249.782  3393.71  433.341  3416.48  305.670  510.523   34.189  518.317   23.616 -7.793457 41.55209 
1 1 1   -1   15   27 o  277.130   12.514  964.560   86.605  947.059  151.517  973.053  105.546  271.961   22.513  277.540   15.288 -5.579071 27.21276 
1 1 1   -1   15   28 o  211.869   19.981  574.546  104.464  574.546  104.464   0.0000   0.0000  211.869   19.981  ?   ?  0.000000 19.98054 
1 1 1   -1   15   29 o  358.166   14.781  1617.48  132.205  1492.53  231.018  1678.32  161.214  339.007   27.527  364.063   17.733 -25.05585 32.74392 
1 1 1   -1   15   30 o  285.624   15.403  1032.97  109.456   0.0000   0.0000  1032.97  109.456  ?   ?   285.624   15.403 0.000000 15.40292 
1 1 1   -1   15   31 o  384.219   19.684  1883.15  188.230  1690.99  268.334  2069.31  264.112  358.895   30.222  399.360   26.636 -40.46545 40.28447 
1 1 1   -1   15   32 o   67.880   12.129   59.681   19.806  120.083   52.136   49.494   21.411   95.023   22.347   61.433   14.236 33.58964 26.49564 
1 1 1   -1   15   33 o  334.195   14.046  1408.89  117.219  1408.58  208.351  1409.04  141.787  329.422   25.527  332.973   17.110 -3.550415 30.73050 
1 1 1   -1   15   34 o  280.086   13.268  988.723   92.801  751.079  166.924  1095.03  111.645  238.635   28.580  293.937   15.263 -55.30165 32.40004 
1 1 1   -1   15   35 o  216.520   19.321  601.824  103.370   0.0000   0.0000  601.824  103.370  ?   ?   216.520   19.321 0.000000 19.32111 
1 1 1   -1   15   36 o  123.563   10.747  193.322   32.832  175.698   80.058  196.885   35.999  113.867   28.283  124.545   11.712 -10.67790 30.61185 
1 1 1   -1   15   37 o   88.150   11.927   99.592   25.581 -21.2071   76.124  114.970   27.161   58.735   26.055   94.864   11.714 -36.12889 28.56760 
1 1 1   -1   15   38 o  242.674   11.536  741.769   69.911  931.397  139.923  678.680   80.707  268.473   21.039  231.232   14.043 37.24109 25.29554 
1 1 1   -1   15   39 o  183.760   10.858  426.767   49.605  552.429  113.051  396.804   55.203  205.464   22.396  176.799   12.586 28.66562 25.69040 
1 1 1   -1   15   40 o  181.097   13.707  418.432   61.527  584.908  113.299  348.805   73.272  211.134   21.803  163.872   18.213 47.26131 28.40949 
1 1 1   -1   15   41 o  228.866   12.359  666.105   70.372  568.646  145.504  695.862   80.401  202.943   29.581  233.397   13.857 -30.45398 32.66562 
1 1 1   -1   15   42 o  279.463   12.541  993.809   87.523  1279.00  179.905  905.383  100.176  309.141   23.480  265.185   15.191 43.95535 27.96527 
1 1 1   -1   15   43 o  168.774   11.085  363.409   46.460  517.642  127.287  339.702   49.903  192.306   27.270  162.723   12.374 29.58244 29.94569 
1 1 1   -1   15   44 o  124.075   11.240  197.746   34.446  175.946  120.747  199.677   35.940  106.864   37.059  124.542   11.693 -17.67828 38.86017 
1 1 1   -1   15   45 f  183.490   11.611  432.539   52.929  522.214  145.971  418.965   56.794  185.535   32.701  180.077   12.711 5.458405 35.08438 
1 1 1   -1   15   46 o  240.983   21.195  796.179  126.251   0.0000   0.0000  796.179  126.251  ?   ?   240.983   21.195 0.000000 21.19511 
1 1 1   -1   15   47 o   72.630   12.350   69.848   21.597   75.118  136.704   69.713   21.871   84.411   36.206   72.501   12.534 11.91026 38.31370 
1 1 1   -1   15   48 o  177.836   12.108  411.545   53.451  353.023  145.918  420.615   57.444  138.024   40.010  179.298   12.916 -41.27454 42.04344 
1 1 1   -1   16    1 o  171.257   10.347  368.201   44.042  398.029   79.959  355.210   52.769  177.105   18.345  167.964   12.674 9.140961 22.29770 
1 1 1   -1   16    2 o  787.791   24.150  7823.87  475.100  8172.31  672.583  7476.86  671.205  801.558   33.602  766.059   35.087 35.49933 48.58132 
1 1 1   -1   16    3 o  164.740   8.3142  340.102   34.093  362.333   49.479  320.007   47.043  169.758   11.744  159.468   11.899 10.28969 16.71844 
1 1 1   -1   16    4 o  173.914   12.615  380.587   54.414   0.0000   0.0000  380.587   54.414  ?   ?   173.914   12.615 0.000000 12.61495 
1 1 1   -1   16    5 o  293.219   15.687  1080.71  114.445  1080.71  114.445   0.0000   0.0000  293.219   15.687  ?   ?  0.000000 15.68677 
1 1 1   -1   16    6 o  398.946   18.488  1997.81  184.182  2305.55  261.236  1693.63  259.716  427.014   24.603  364.871   28.737 62.14282 37.82973 
1 1 1   -1   16    7 o  469.850   14.807  2765.68  173.731  2784.61  246.014  2746.85  245.373  470.665   20.931  467.450   21.020 3.215576 29.66448 
1 1 1   -1   16    8 o  283.354   10.218  1004.08   72.304  1075.73  102.683  933.619  101.829  293.083   14.030  272.570   15.018 20.51364 20.55218 
1 1 1   -1   16    9 o  393.902   13.228  1942.40  130.119  1819.38  184.044  2065.36  183.989  380.154   19.452  405.706   18.161 -25.55206 26.61197 
1 1 1   -1   16   10 o  113.187   8.1129  160.938   22.779  152.220   32.483  169.373   31.952  109.637   12.064  115.825   11.186 -6.188126 16.45210 
1 1 1   -1   16   11 o  150.526   8.4389  284.093   31.593  258.541   44.604  309.819   44.756  143.180   12.604  156.951   11.499 -13.77141 17.06110 
1 1 1   -1   16   12 o  501.941   16.157  3157.79  202.524  3255.39  286.510  3060.32  286.315  508.721   22.553  493.129   23.250 15.59164 32.39190 
1 1 1   -1   16   13 o  184.317   12.177  426.944   55.732  389.720   78.537  464.704   79.100  175.318   18.204  191.815   16.680 -16.49727 24.69035 
1 1 1   -1   16   14 o  857.918   37.103  9374.49  794.880 10147.07  1125.28  8605.07  1122.98  883.419   51.229  810.281   55.840 73.13831 75.77917 
1 1 1   -1   16   15 o  403.096   13.734  2034.42  138.248  2128.87  195.463  1939.87  195.562  411.828   19.006  392.507   20.018 19.32071 27.60400 
1 1 1   -1   16   16 o  383.860   13.075  1844.47  125.337  1884.72  177.063  1804.05  177.442  387.553   18.296  379.121   18.743 8.431915 26.19180 
1 1 1   -1   16   17 o  193.400   8.6624  467.557   41.836  421.288   58.363  516.460   60.001  183.009   12.852  202.813   11.899 -19.80426 17.51478 
1 1 1   -1   16   18 o  382.333   12.866  1829.99  122.842  1817.87  173.413  1842.20  174.038  380.559   18.248  383.102   18.192 -2.543793 25.76674 
1 1 1   -1   16   19 o  294.603   10.263  1085.59   75.505  936.365  106.149  1238.43  107.424  272.844   15.645  314.441   13.681 -41.59784 20.78271 
1 1 1   -1   16   20 o  701.602   21.323  6197.05  373.581  6454.53  528.514  5939.94  528.131  713.292   29.671  683.801   30.929 29.49139 42.85999 
1 1 1   -1   16   21 o  700.853   21.182  6188.30  370.724  5957.17  523.790  6420.29  524.777  684.305   30.652  710.867   29.562 -26.56165 42.58467 
1 1 1   -1   16   22 o  516.431   16.637  3350.52  214.548  3414.16  303.335  3286.80  303.499  519.766   23.370  509.856   23.837 9.910217 33.38251 
1 1 1   -1   16   23 o  322.273   11.800  1301.28   94.967  1338.16  134.119  1264.20  134.489  325.856   16.536  316.602   17.074 9.253998 23.76904 
1 1 1   -1   16   24 o  321.993   13.677  1301.29  109.973  1318.58  191.113  1292.72  134.466  321.553   23.973  320.062   16.884 1.491089 29.32157 
1 1 1   -1   16   25 o  247.445   11.708  767.798   72.349  607.094  125.645  847.512   88.491  217.419   23.516  259.411   13.709 -41.99113 27.22061 
1 1 1   -1   16   26 o  240.562   11.697  726.070   70.265  609.817  122.513  783.054   85.774  217.862   22.860  249.208   13.837 -31.34583 26.72161 
1 1 1   -1   16   27 o  297.833   12.978  1114.93   96.523  1095.35  168.517  1124.49  117.753  292.206   23.288  298.210   15.870 -6.004883 28.18075 
1 1 1   -1   16   28 o  400.581   19.667  2037.08  196.730  1934.86  279.321  2137.71  277.129  385.609   29.224  406.354   27.472 -20.74512 40.10928 
1 1 1   -1   16   29 o  466.331   21.953  2775.86  255.651  2827.37  363.459  2725.42  359.660  464.365   31.530  455.695   31.805 8.670593 44.78534 
1 1 1   -1   16   30 o   99.367   14.288  126.973   34.434  107.392   53.035  141.242   45.274   89.903   23.397  104.108   18.070 -14.20535 29.56265 
1 1 1   -1   16   31 o  416.216   16.383  2192.19  170.285  2180.80  297.736  2197.72  207.588  408.228   29.403  415.382   20.013 -7.154510 35.56764 
1 1 1   -1   16   32 o  312.915   13.379  1233.89  104.543  1225.76  185.535  1237.67  126.543  307.770   24.339  312.299   16.283 -4.529327 29.28349 
1 1 1   -1   16   33 o  313.730   13.606  1240.96  106.597  1188.32  189.922  1265.17  128.798  302.444   25.381  315.680   16.395 -13.23584 30.21596 
1 1 1   -1   16   34 o   89.379   11.480  102.068   25.031   80.164   63.259  106.135   27.256   80.417   26.846   91.020   12.307 -10.60379 29.53228 
1 1 1   -1   16   35 o  279.638   13.070  985.657   91.270  863.367  166.530  1038.16  109.118  256.859   26.335  286.091   15.329 -29.23190 30.47146 
1 1 1   -1   16   36 o  185.927   18.335  444.030   84.021   0.0000   0.0000  444.030   84.021  ?   ?   185.927   18.335 0.000000 18.33522 
1 1 1   -1   16   37 o  176.718   11.350  394.582   49.822  307.736  105.789  419.335   56.478  150.894   29.130  181.974   12.504 -31.08014 31.70037 
1 1 1   -1   16   38 o   95.068   10.993  115.234   25.617  259.289   82.815   99.992   26.938  139.467   24.682   88.164   12.594 51.30322 27.70887 
1 1 1   -1   16   39 o   67.223   12.373   58.821   20.005  218.096   84.239   49.302   20.594  126.447   27.464   61.218   13.801 65.22931 30.73677 
1 1 1   -1   16   40 o   77.821   11.697   78.157   22.028  188.998   89.971   71.090   22.720  116.243   30.583   73.920   12.770 42.32292 33.14151 
1 1 1   -1   16   41 o  268.793   17.242  933.151  115.125  830.727  178.856  1005.61  150.431  245.689   29.759  276.256   21.988 -30.56665 37.00093 
1 1 1   -1   16   42 o  160.515   14.135  331.856   56.082  503.554  117.389  281.079   63.838  192.401   25.025  146.281   17.846 46.11928 30.73647 
1 1 1   -1   16   43 o  156.456   11.344  312.804   44.020  270.452  119.948  319.395   47.322  133.169   35.444  157.859   12.096 -24.68971 37.45154 
1 1 1   -1   16   44 o  126.183   10.870  204.087   33.919  372.153  121.340  189.842   35.327  158.115   31.833  121.384   11.804 36.73119 33.95081 
1 1 1   -1   16   45 o  101.486   11.561  133.340   28.776 -34.7293  120.666  143.475   29.631   68.188   31.266  105.351   11.447 -37.16296 33.29601 
1 1 1   -1   16   46 o  183.545   11.382  433.225   51.913  776.750  160.338  392.996   54.869  230.258   28.493  174.161   12.704 56.09680 31.19697 
1 1 1   -1   16   47 o  154.175   17.686  320.944   66.858   0.0000   0.0000  320.944   66.858  ?   ?   154.175   17.686 0.000000 17.68552 
1 1 1   -1   16   48 o  192.807   13.258  486.947   63.445   0.0000   0.0000  486.947   63.445  ?   ?   192.807   13.258 0.000000 13.25788 
1 1 1   -1   17    1 o  373.874   11.585  1749.76  108.163  1901.26  154.037  1602.42  151.915  389.290   15.845  357.257   17.028 32.03305 23.26018 
1 1 1   -1   17    2 o  517.578   24.086  3380.21  311.305  3061.57  441.157  3696.25  439.351  488.034   36.462  537.869   32.868 -49.83533 49.08956 
1 1 1   -1   17    3 o  454.430   21.292  2599.00  241.620   0.0000   0.0000  2599.00  241.620  ?   ?   454.430   21.292 0.000000 21.29190 
1 1 1   -1   17    4 o  224.165   12.049  630.783   67.200  630.783   67.200   0.0000   0.0000  224.165   12.049  ?   ?  0.000000 12.04888 
1 1 1   -1   17    5 o  159.423   8.6837  318.678   34.440  327.643   49.992  310.579   47.515  161.299   12.509  157.049   12.212 4.249268 17.48140 
1 1 1   -1   17    6 o  294.010   10.946  1081.43   80.365  1103.35  114.290  1059.99  113.026  296.283   15.501  290.368   15.645 5.914886 22.02415 
1 1 1   -1   17    7 o  506.224   16.126  3213.10  203.857  3357.77  288.847  3069.53  287.752  516.495   22.395  493.658   23.342 22.83688 32.34798 
1 1 1   -1   17    8 o  329.422   16.050  1360.51  132.033  1603.23  187.558  1122.07  185.901  356.449   21.166  297.227   25.286 59.22205 32.97579 
1 1 1   -1   17    9 o  884.012   27.066  9869.94  597.492  9869.74  845.156  9870.14  844.808  878.888   38.508  878.915   38.491 -0.2673340E-01 54.44669 
1 1 1   -1   17   10 o  119.058   8.5490  178.098   25.248  167.189   36.261  188.365   35.176  114.856   12.863  122.142   11.675 -7.285927 17.37146 
1 1 1   -1   17   11 o  596.292   18.360  4462.73  273.392  4901.79  387.240  4026.40  386.031  623.586   24.868  564.600   27.380 58.98639 36.98719 
1 1 1   -1   17   12 o  535.856   17.106  3601.44  228.896  3770.50  323.926  3432.83  323.491  547.156   23.707  521.865   24.823 25.29138 34.32518 
1 1 1   -1   17   13 o  291.036   10.769  1059.48   78.267  1092.00  110.488  1026.73  110.885  294.836   15.057  285.800   15.596 9.035431 21.67800 
1 1 1   -1   17   14 o  308.638   11.150  1191.68   85.933  1111.11  121.116  1273.36  121.942  297.242   16.380  318.767   15.319 -21.52405 22.42729 
1 1 1   -1   17   15 o  552.570   24.899  3849.76  343.579  4025.89  486.146  3673.99  485.641  561.447   34.846  535.660   36.524 25.78644 50.48017 
1 1 1   -1   17   16 o  213.056   13.023  570.435   68.956  546.186   97.224  594.981   97.816  207.699   18.954  216.958   18.223 -9.258179 26.29336 
1 1 1   -1   17   17 o  402.236   13.517  2026.34  135.768  2007.49  191.644  2045.34  192.367  399.739   19.199  403.504   19.091 -3.764893 27.07501 
1 1 1   -1   17   18 o  281.756   10.654  993.195   74.964  1001.51  105.518  984.717  106.520  282.259   15.024  279.841   15.301 2.417999 21.44411 
1 1 1   -1   17   19 o  286.256   10.413  1025.22   74.433  977.697  104.686  1073.80  105.851  278.828   15.091  292.681   14.483 -13.85321 20.91631 
1 1 1   -1   17   20 o  199.476   9.3168  497.708   46.410  544.497   65.228  449.739   66.046  208.110   12.611  188.883   14.104 19.22615 18.91990 
1 1 1   -1   17   21 o  653.602   20.005  5381.92  326.521  5230.59  461.348  5533.81  462.195  641.285   28.809  659.926   28.047 -18.64111 40.20649 
1 1 1   -1   17   22 o  540.686   16.872  3675.85  227.810  3619.42  321.845  3732.51  322.501  534.576   24.109  542.966   23.785 -8.390198 33.86740 
1 1 1   -1   17   23 o  300.761   11.329  1133.42   85.086  1214.81  120.127  1051.49  120.533  310.899   15.473  288.601   16.797 22.29819 22.83762 
1 1 1   -1   17   24 o  252.563   10.400  799.091   65.590  837.004   92.520  760.784   92.999  257.696   14.435  245.508   15.245 12.18758 20.99471 
1 1 1   -1   17   25 o  104.987   10.473  139.500   27.091  160.391   48.900  130.248   32.541  111.309   18.223  100.989   13.221 10.32011 22.51400 
1 1 1   -1   17   26 o  245.214   11.596  754.630   71.009  770.445  124.279  746.964   86.523  245.647   20.446  243.231   14.308 2.415421 24.95477 
1 1 1   -1   17   27 o  206.415   11.203  536.338   57.529  388.253  100.599  608.299   70.128  172.749   23.966  219.597   12.844 -46.84789 27.19049 
1 1 1   -1   17   28 o  500.719   18.997  3181.57  237.533  3156.50  412.441  3194.01  290.558  489.193   33.973  499.684   23.286 -10.49170 41.18708 
1 1 1   -1   17   29 o  246.501   20.410  778.730  124.506   0.0000   0.0000  778.730  124.506  ?   ?   246.501   20.410 0.000000 20.41008 
1 1 1   -1   17   30 o  246.397   14.296  768.229   87.585  814.399  127.321  726.754  120.674  252.025   20.406  237.960   20.508 14.06505 28.93039 
1 1 1   -1   17   31 o  372.428   15.126  1752.14  140.677  1735.48  246.369  1760.20  171.360  365.055   27.221  372.238   18.435 -7.183197 32.87620 
1 1 1   -1   17   32 o  469.110   18.364  2796.40  215.128  2424.96  374.725  2979.00  262.740  425.574   35.587  482.464   21.808 -56.88931 41.73740 
1 1 1   -1   17   33 o  252.059   15.296  806.034   95.825  753.630  139.548  852.792  131.816  241.113   23.474  257.647   20.661 -16.53360 31.27206 
1 1 1   -1   17   34 o  246.579   12.064  765.202   74.285  733.387  136.406  778.616   88.572  237.829   23.266  247.921   14.368 -10.09186 27.34474 
1 1 1   -1   17   35 o  461.511   17.591  2705.86  202.736  2836.87  357.046  2643.52  246.290  463.359   31.037  454.125   21.718 9.233704 37.88061 
1 1 1   -1   17   36 o   82.826   11.886   88.084   23.880  171.792   72.151   77.786   25.307  112.930   26.107   77.411   13.587 35.51954 29.43104 
1 1 1   -1   17   37 o   98.607   17.930  127.455   42.525   0.0000   0.0000  127.455   42.525  ?   ?    98.607   17.930 0.000000 17.93003 
1 1 1   -1   17   38 o  353.771   18.478  1602.82  162.676  1638.98  240.368  1572.25  220.971  352.469   27.527  346.348   25.733 6.120728 37.68190 
1 1 1   -1   17   39 o  280.504   13.122  995.320   91.914  968.382  177.092  1005.25  107.531  270.215   26.589  280.820   15.393 -10.60480 30.72307 
1 1 1   -1   17   40 o   68.688   12.842   61.634   21.217 -11.7805   88.898   66.068   21.849   64.671   28.447   71.195   12.758 -6.523102 31.17647 
1 1 1   -1   17   41 o   72.581   16.807   70.290   29.862  133.971   94.786   63.273   31.465   98.891   32.855   68.781   18.081 30.11012 37.50132 
1 1 1   -1   17   42 o  132.384   10.965  223.493   35.923  263.285  108.533  218.597   38.069  134.337   32.668  130.704   11.791 3.633987 34.73066 
1 1 1   -1   17   43 o  147.616   14.875  283.268   54.087  372.357  119.352  260.245   60.674  160.179   30.958  140.286   17.715 19.89351 35.66832 
1 1 1   -1   17   44 o  113.989   11.443  167.288   32.134   84.978  116.970  174.007   33.419   86.774   35.008  116.206   11.674 -29.43195 36.90340 
1 1 1   -1   17   45 o  210.303   12.122  568.935   63.391  674.953  160.795  549.426   68.977  213.142   31.128  205.939   13.487 7.202789 33.92442 
1 1 1   -1   17   46 o  132.509   10.953  225.968   35.918  581.530  146.364  203.183   37.051  196.682   30.812  125.232   11.994 71.44991 33.06425 
1 1 1   -1   17   47 o  219.281   13.168  625.725   71.771  439.667  186.254  658.170   77.778  150.410   45.617  224.360   13.951 -73.95050 47.70254 
1 1 1   -1   17   48 o  171.824   18.433  403.602   77.858   0.0000   0.0000  403.602   77.858  ?   ?   171.824   18.433 0.000000 18.43336 
1 1 1   -1   18    1 o  281.978   10.927  995.463   76.940  987.602  109.929  1003.01  107.723  280.014   15.785  282.265   15.340 -2.250610 22.01140 
1 1 1   -1   18    2 o  311.016   10.762  1210.75   83.588  1131.42  119.289  1287.27  117.161  299.791   15.992  320.359   14.645 -20.56772 21.68468 
1 1 1   -1   18    3 o  273.498   10.983  936.237   75.011  958.236  107.199  915.131  104.999  275.916   15.623  269.612   15.663 6.303802 22.12208 
1 1 1   -1   18    4 o  296.554   13.654  1102.01  101.117  1393.18  146.766  838.919  139.512  332.563   17.737  257.108   21.939 75.45538 28.21206 
1 1 1   -1   18    5 f  121.246   8.5756  184.720   25.797  187.235   38.649  182.699   34.645  121.588   12.927  120.248   11.685 1.339668 17.42553 
1 1 1   -1   18    6 f  139.523   8.8865  244.389   30.801  210.268   45.080  274.263   42.182  128.754   14.260  147.584   11.537 -18.82956 18.34290 
1 1 1   -1   18    7 o  368.674   12.627  1701.88  116.249  1790.93  165.115  1614.36  163.696  377.707   17.506  358.045   18.370 19.66153 25.37556 
1 1 1   -1   18    8 o  319.326   11.733  1276.22   93.565  1223.22  132.891  1328.32  131.757  311.740   17.137  325.425   16.213 -13.68533 23.59094 
1 1 1   -1   18    9 o  409.926   15.886  2107.20  162.623  2142.46  199.367  2037.10  281.121  412.913   19.335  400.221   28.311 12.69202 34.28336 
1 1 1   -1   18   10 o  471.737   21.576  2800.52  254.165  3082.01  360.105  2521.08  358.786  492.383   29.422  444.238   32.569 48.14407 43.89063 
1 1 1   -1   18   11 o  757.557   23.371  7231.69  442.123  7356.26  625.548  7107.35  624.965  760.634   32.933  747.428   33.484 13.20587 46.96560 
1 1 1   -1   18   12 f  436.516   14.459  2387.54  157.610  2499.31  223.111  2276.22  222.677  445.894   20.037  425.393   20.962 20.50067 28.99831 
1 1 1   -1   18   13 f  536.936   17.071  3617.52  228.893  3665.89  323.789  3569.20  323.618  539.208   24.047  531.983   24.360 7.225891 34.22967 
1 1 1   -1   18   14 o  326.935   11.691  1337.72   95.447  1308.19  134.888  1367.33  135.079  322.471   16.809  330.160   16.384 -7.689148 23.47254 
1 1 1   -1   18   15 o  157.327   8.4918  310.341   33.238  307.231   46.611  313.559   47.412  156.204   12.042  157.805   12.124 -1.601578 17.08829 
1 1 1   -1   18   16 o  548.319   17.461  3774.73  239.085  3671.18  337.783  3878.70  338.454  539.168   25.088  554.355   24.449 -15.18634 35.03072 
1 1 1   -1   18   17 o  319.344   16.385  1283.12  130.221  1295.75  184.061  1270.46  184.261  319.696   23.214  316.488   23.482 3.208038 33.01936 
1 1 1   -1   18   18 o  234.262   13.669  690.105   79.617  652.416  112.337  728.141  112.854  226.808   20.040  239.884   18.995 -13.07620 27.61182 
1 1 1   -1   18   19 o  591.323   21.625  4410.03  319.327  4476.54  391.288  4277.39  552.544  594.320   26.365  574.879   38.715 19.44049 46.83948 
1 1 1   -1   18   20 o  328.520   11.703  1351.86   96.011  1373.41  135.331  1330.02  136.233  330.621   16.391  324.873   16.850 5.748138 23.50777 
1 1 1   -1   18   21 o  136.257   8.8132  233.235   29.827  242.636   41.246  222.929   43.184  138.630   12.034  132.679   13.210 5.951736 17.86906 
1 1 1   -1   18   22 o  647.339   20.194  5291.60  326.449  5591.63  461.790  4991.88  461.547  662.054   27.932  624.733   29.585 37.32043 40.68736 
1 1 1   -1   18   23 o  284.235   10.181  1011.94   72.264  913.454  101.383  1113.65  103.031  269.116   15.148  297.776   13.856 -28.65985 20.52870 
1 1 1   -1   18   24 o  294.538   11.319  1087.90   83.252  1185.29  117.588  990.012  117.885  306.883   15.344  279.724   16.956 27.15845 22.86831 
1 1 1   -1   18   25 o  308.375   11.512  1193.26   88.650  1228.45  125.068  1157.73  125.676  311.744   16.121  302.477   16.703 9.266968 23.21354 
1 1 1   -1   18   26 o  204.002   9.4335  521.528   48.057  526.521   67.645  516.440   68.285  204.178   13.340  202.160   13.605 2.018295 19.05452 
1 1 1   -1   18   27 o  217.815   11.555  597.544   62.628  558.825  109.679  616.277   76.288  208.422   21.376  220.790   13.908 -12.36848 25.50182 
1 1 1   -1   18   28 o  363.704   15.053  1669.38  136.717  1558.05  237.611  1724.48  167.160  346.012   27.733  368.769   18.152 -22.75723 33.14502 
1 1 1   -1   18   29 o  155.697   19.496  312.869   74.140  312.869   74.140   0.0000   0.0000  155.697   19.496  ?   ?  0.000000 19.49600 
1 1 1   -1   18   30 o  136.656   13.454  237.534   45.316  174.691   69.215  284.683   59.952  114.394   24.933  149.123   16.369 -34.72857 29.82625 
1 1 1   -1   18   31 o  468.769   22.512  2816.61  263.527  2651.32  374.083  2979.45  371.301  446.585   33.794  475.440   31.451 -28.85492 46.16518 
1 1 1   -1   18   32 o  258.492   12.422  841.183   80.188  774.968  143.297  871.370   96.755  244.412   23.779  262.229   14.836 -17.81737 28.02810 
1 1 1   -1   18   33 o  150.189   10.719  284.815   39.937  283.772   78.922  285.173   46.302  147.305   22.140  149.989   12.475 -2.683853 25.41278 
1 1 1   -1   18   34 o  234.765   12.117  695.580   70.794  606.612  130.666  732.547   84.227  215.519   24.726  240.495   14.086 -24.97629 28.45709 
1 1 1   -1   18   35 o  194.051   11.540  475.400   55.667  385.391  107.943  508.011   64.973  170.632   26.168  200.317   13.060 -29.68456 29.24587 
1 1 1   -1   18   36 o  272.016   13.101  933.354   88.995  740.595  163.410  1014.63  106.112  236.546   28.221  282.761   15.082 -46.21449 31.99833 
1 1 1   -1   18   37 o  238.788   11.846  718.283   70.639  788.125  138.645  693.797   82.093  246.263   22.804  233.839   14.125 12.42393 26.82408 
1 1 1   -1   18   38 o  354.279   26.082  1648.49  229.124   0.0000   0.0000  1648.49  229.124  ?   ?   354.279   26.082 0.000000 26.08194 
1 1 1   -1   18   39 o   78.847   18.275   82.705   35.279   0.0000   0.0000   82.705   35.279  ?   ?    78.847   18.275 0.000000 18.27464 
1 1 1   -1   18   40 o  322.192   13.751  1318.41  110.634  1471.08  210.031  1259.79  130.155  332.775   25.468  313.286   16.697 19.48938 30.45321 
1 1 1   -1   18   41 o  155.551   10.919  307.379   42.145  378.483  113.111  295.916   45.415  165.393   28.410  152.327   12.037 13.06616 30.85506 
1 1 1   -1   18   42 o  134.387   10.777  230.154   35.863  358.927  112.239  215.512   37.847  159.453   29.266  129.750   11.810 29.70309 31.55933 
1 1 1   -1   18   43 o  304.092   13.165  1183.73   99.971  1573.96  205.727  1063.10  114.384  339.973   24.395  286.060   16.078 53.91382 29.21617 
1 1 1   -1   18   44 f  145.546   16.131  278.839   57.643  226.684  129.763  291.660   64.339  118.804   38.384  148.114   17.749 -29.31016 42.28919 
1 1 1   -1   18   45 o   88.337   11.242  101.192   24.237  308.572  127.363   93.400   24.688  138.521   36.359   84.588   12.026 53.93340 38.29657 
1 1 1   -1   18   46 o  123.060   11.338  195.511   34.451  290.661  144.689  189.793   35.471  129.095   40.396  121.037   11.889 8.058319 42.10928 
1 1 1   -1   18   47 f   70.115   12.713   65.363   21.440   0.0000   0.0000   65.363   21.440  ?   ?    70.115   12.713 0.000000 12.71312 
1 1 1   -1   19    1 o  326.524   12.034  1336.73   98.123  1290.11  139.783  1382.01  137.773  319.563   17.584  330.963   16.724 -11.39960 24.26723 
1 1 1   -1   19    2 o  148.896   12.046  279.671   44.405   0.0000   0.0000  279.671   44.405  ?   ?   148.896   12.046 0.000000 12.04579 
1 1 1   -1   19    3 o  341.584   12.523  1462.46  106.818  1463.53  151.938  1461.43  150.203  340.563   17.929  340.356   17.734 0.2068176 25.21762 
1 1 1   -1   19    4 o  153.602   8.7966  296.077   33.601  315.401   49.859  279.999   45.480  158.133   12.734  148.983   12.336 9.150162 17.72910 
1 1 1   -1   19    5 o  294.742   14.590  1089.76  107.386  1246.14  155.315  946.540  148.638  313.937   19.915  273.032   21.987 40.90466 29.66501 
1 1 1   -1   19    6 o  224.486   12.791  633.416   71.409  730.734  104.829  549.163   97.539  240.506   17.576  208.086   18.980 32.41931 25.86791 
1 1 1   -1   19    7 o  421.263   13.975  2224.63  147.011  2311.22  208.678  2139.30  207.141  428.579   19.498  412.227   20.122 16.35153 28.01949 
1 1 1   -1   19    8 o  404.061   13.676  2046.11  137.989  2027.58  195.739  2064.43  194.559  401.453   19.525  405.131   19.231 -3.677765 27.40557 
1 1 1   -1   19    9 o  590.481   18.402  4382.28  271.349  4581.63  384.385  4184.26  383.108  601.920   25.573  574.903   26.686 27.01740 36.96059 
1 1 1   -1   19   10 o  479.514   15.639  2884.51  187.264  2858.75  265.153  2910.15  264.511  476.212   22.297  480.526   22.043 -4.313660 31.35375 
1 1 1   -1   19   11 o  664.727   29.400  5608.77  488.020  5999.65  690.881  5219.51  689.450  681.266   40.798  633.599   43.845 47.66681 59.89007 
1 1 1   -1   19   12 o  476.717   22.076  2864.18  262.798  3019.72  371.892  2709.04  371.414  486.445   30.774  460.048   32.540 26.39655 44.78667 
1 1 1   -1   19   13 o  620.748   19.286  4845.94  298.957  4878.16  422.936  4813.76  422.643  620.580   27.291  616.417   27.457 4.163391 38.71298 
1 1 1   -1   19   14 o  368.119   12.781  1697.45  117.489  1721.58  166.212  1673.36  166.098  370.142   17.982  364.890   18.229 5.252136 25.60542 
1 1 1   -1   19   15 o  137.103   8.3917  235.916   28.592  213.812   40.081  258.821   40.800  130.060   12.495  143.326   11.496 -13.26593 16.97886 
1 1 1   -1   19   16 o  305.264   11.000  1166.49   83.857  1095.08  118.243  1238.75  118.943  294.909   16.117  314.216   15.159 -19.30762 22.12559 
1 1 1   -1   19   17 o  708.730   22.041  6339.35  390.087  6284.05  551.443  6394.73  551.891  701.753   31.468  708.029   31.214 -6.275269 44.32317 
1 1 1   -1   19   18 o  275.613   10.636  950.981   73.205  926.552  102.969  975.946  104.094  271.247   15.264  278.441   15.026 -7.194275 21.41895 
1 1 1   -1   19   19 f  155.999   9.9959  305.852   38.735  239.388   63.870  344.520   48.716  136.526   19.270  165.397   11.874 -28.87158 22.63431 
1 1 1   -1   19   20 o  204.925   12.686  528.598   64.601  399.490   90.960  660.006   91.766  176.622   21.037  228.549   16.183 -51.92715 26.54160 
1 1 1   -1   19   21 o  427.258   20.265  2306.49  216.217  2318.68  305.806  2294.31  305.746  424.858   28.997  422.545   29.154 2.313538 41.11940 
1 1 1   -1   19   22 o  271.289   11.974  923.093   81.121  893.314   99.405  982.464  140.359  266.119   15.020  277.980   20.361 -11.86121 25.30172 
1 1 1   -1   19   23 o  539.687   17.264  3674.15  232.670  3646.89  328.625  3701.56  329.467  534.875   24.604  538.925   24.481 -4.049561 34.70827 
1 1 1   -1   19   24 o  344.986   12.261  1494.47  105.627  1488.20  148.831  1500.84  149.931  342.842   17.442  344.284   17.497 -1.442291 24.70511 
1 1 1   -1   19   25 o  159.968   9.1461  321.648   36.384  351.221   50.671  290.173   52.276  166.761   12.254  151.206   14.004 15.55536 18.60795 
1 1 1   -1   19   26 o  236.762   10.252  703.185   60.615  713.002   85.242  693.144   86.212  237.438   14.445  234.016   14.829 3.422729 20.70199 
1 1 1   -1   19   27 o  232.231   9.3430  676.167   54.183  617.302   75.976  737.089   77.292  220.928   13.841  241.690   12.853 -20.76187 18.88826 
1 1 1   -1   19   28 o  209.539   11.552  553.484   60.211  591.963  105.974  535.141   73.169  214.749   19.991  205.493   14.349 9.255798 24.60737 
1 1 1   -1   19   29 o  247.308   12.250  769.524   75.655  616.984  131.743  844.578   92.412  217.665   24.673  258.328   14.382 -40.66248 28.55917 
1 1 1   -1   19   30 o  190.450   13.697  459.640   64.705  390.196   94.622  520.638   88.681  173.185   22.404  201.785   17.781 -28.60045 28.60259 
1 1 1   -1   19   31 o  354.836   18.604  1605.49  164.278  1433.50  234.376  1771.59  230.324  330.519   28.681  369.697   25.097 -39.17804 38.11113 
1 1 1   -1   19   32 o  151.719   13.307  292.348   49.906  268.310   76.723  309.978   65.705  143.134   22.183  155.404   17.221 -12.26918 28.08263 
1 1 1   -1   19   33 o  256.310   12.690  827.600   81.220  603.640  144.977  930.041   98.051  213.775   27.817  270.958   14.544 -57.18330 31.38944 
1 1 1   -1   19   34 o  285.651   12.792  1028.29   91.252  1026.24  163.966  1029.21  109.832  281.395   23.550  284.759   15.504 -3.364624 28.19556 
1 1 1   -1   19   35 o  155.937   11.000  307.258   42.558  304.828   88.176  307.996   48.593  152.027   24.024  155.839   12.594 -3.811951 27.12539 
1 1 1   -1   19   36 o  295.171   13.125  1099.33   96.745  1127.96  176.559  1087.04  115.654  294.430   24.229  292.394   15.899 2.035736 28.97950 
1 1 1   -1   19   37 o  208.754   11.497  550.423   59.705  606.818  122.061  532.687   68.453  215.667   23.020  204.920   13.452 10.74721 26.66205 
1 1 1   -1   19   38 o  121.574   11.428  187.861   34.287  128.859   88.536  198.271   37.189   98.523   31.693  124.799   12.084 -26.27580 33.91853 
1 1 1   -1   19   39 o  118.679   11.472  179.330   33.575  174.750   94.923  179.985   35.896  112.055   32.209  118.730   12.285 -6.674301 34.47213 
1 1 1   -1   19   40 o  258.885   21.409  877.905  137.164   0.0000   0.0000  877.905  137.164  ?   ?   258.885   21.409 0.000000 21.40897 
1 1 1   -1   19   41 o  183.513   11.250  427.831   51.306  554.220  126.927  403.147   56.093  202.246   25.713  177.692   12.726 24.55421 28.68972 
1 1 1   -1   19   42 o  161.879   11.285  334.035   45.335  337.451  122.403  333.492   48.806  151.842   33.206  161.472   12.194 -9.630615 35.37424 
1 1 1   -1   19   43 o  315.353   14.377  1279.79  113.215  1257.48  223.736  1287.47  131.260  296.397   30.672  314.213   16.789 -17.81558 34.96639 
1 1 1   -1   19   44 o  148.109   11.212  281.197   41.162  337.762  131.218  275.024   43.350  146.717   36.069  146.199   11.979 0.5185699 38.00592 
1 1 1   -1   19   45 o  110.146   11.355  156.646   30.785  266.484  131.860  150.314   31.660  126.698   38.372  107.675   11.977 19.02309 40.19820 
1 1 1   -1   19   46 o  212.605   16.530  598.785   87.071  711.904  176.640  562.477  100.074  213.660   34.265  203.400   19.960 10.26016 39.65422 
1 1 1   -1   19   47 o  151.422   12.373  297.928   46.376   0.0000   0.0000  297.928   46.376  ?   ?   151.422   12.373 0.000000 12.37285 
1 1 1   -1   20    1 o   70.705   20.319   64.814   37.780   0.0000   0.0000   64.814   37.780  ?   ?    70.705   20.319 0.000000 20.31905 
1 1 1   -1   20    2 o  276.886   16.864  969.834  116.046  969.834  116.046   0.0000   0.0000  276.886   16.864  ?   ?  0.000000 16.86371 
1 1 1   -1   20    3 o  680.191   21.381  5858.92  363.176  5766.83  514.122  5950.63  513.096  669.834   30.736  680.773   30.182 -10.93860 43.07729 
1 1 1   -1   20    4 o  256.982   10.774  827.355   69.138  867.477   99.300  789.604   96.321  262.266   15.228  250.131   15.497 12.13518 21.72632 
1 1 1   -1   20    5 o  246.697   10.001  761.977   61.612  767.723   88.679  756.615   85.665  246.843   14.449  245.104   14.055 1.738358 20.15723 
1 1 1   -1   20    6 o  131.655   8.5478  217.741   27.950  222.053   42.569  214.473   37.057  132.432   13.041  130.335   11.504 2.097290 17.38993 
1 1 1   -1   20    7 o  415.236   20.490  2175.49  212.468  1927.97  301.834  2418.59  299.134  386.983   31.507  435.136   27.673 -48.15256 41.93445 
1 1 1   -1   20    8 o  243.483   10.097  742.040   61.390  728.391   88.101  754.921   85.591  240.453   14.744  244.907   14.054 -4.453766 20.36879 
1 1 1   -1   20    9 o  346.443   12.374  1504.01  107.055  1519.56  152.240  1488.80  150.570  347.150   17.619  343.612   17.607 3.538269 24.90860 
1 1 1   -1   20   10 o  312.105   11.181  1219.79   87.141  1270.05  124.085  1170.87  122.405  318.032   15.624  304.887   16.135 13.14539 22.45977 
1 1 1   -1   20   11 o  127.764   8.9309  205.185   28.315  182.010   41.375  225.600   38.832  119.642   14.120  133.695   11.751 -14.05269 18.37021 
1 1 1   -1   20   12 o  342.152   12.128  1466.67  103.622  1501.98  146.955  1431.74  146.135  345.681   17.024  337.007   17.424 8.673492 24.36013 
1 1 1   -1   20   13 o  464.164   21.546  2719.19  249.740  2980.98  353.627  2458.71  352.746  482.908   29.465  437.270   32.537 45.63718 43.89635 
1 1 1   -1   20   14 o  263.897   10.611  871.864   69.926  905.686   99.126  838.360   98.658  268.219   14.857  257.946   15.386 10.27222 21.38881 
1 1 1   -1   20   15 o  153.214   8.6556  294.570   32.981  316.023   46.667  273.160   46.619  158.378   11.886  147.064   12.823 11.31459 17.48413 
1 1 1   -1   20   16 o  269.070   10.550  906.503   70.885  986.829  100.202  826.033  100.292  280.040   14.377  255.932   15.769 24.10806 21.33936 
1 1 1   -1   20   17 o  714.705   22.159  6460.08  395.481  6341.87  559.012  6578.54  559.578  703.394   31.825  716.723   31.265 -13.32874 44.61328 
1 1 1   -1   20   18 o  425.334   14.362  2271.68  152.545  2417.29  215.683  2125.94  215.781  437.654   19.735  409.580   21.170 28.07391 28.94154 
1 1 1   -1   20   19 o  176.929   8.5386  391.692   37.726  332.353   52.267  456.227   54.508  162.236   13.011  190.439   11.516 -28.20338 17.37520 
1 1 1   -1   20   20 o  138.441   8.5436  240.757   29.392  230.818   40.368  251.971   42.878  135.124   12.091  141.199   12.283 -6.075378 17.23568 
1 1 1   -1   20   21 o  114.943   8.6020  166.291   24.512  147.395   33.194  188.949   36.350  107.644   12.586  122.131   12.077 -14.48705 17.44330 
1 1 1   -1   20   22 o  255.265   14.382  822.218   91.301  772.565  129.036  872.001  129.204  245.881   21.223  261.671   19.923 -15.78992 29.10902 
1 1 1   -1   20   23 o  274.791   15.020  953.895  102.678  892.110  145.106  1015.85  145.311  263.878   22.228  282.138   20.771 -18.25946 30.42182 
1 1 1   -1   20   24 o  125.249   11.906  198.789   36.791  173.270   52.378  223.643   51.690  115.522   18.803  132.194   15.983 -16.67125 24.67826 
1 1 1   -1   20   25 o   95.027   9.9006  114.461   23.149  119.004   28.602  105.834   39.415   96.563   12.129   89.832   18.194 6.731178 21.86643 
1 1 1   -1   20   26 o  196.819   9.6236  485.824   47.299  547.040   66.071  421.473   67.742  208.118   12.775  182.144   15.028 25.97444 19.72371 
1 1 1   -1   20   27 o  113.387   10.503  162.773   29.401  177.469   47.524  153.661   37.423  117.278   16.699  109.534   14.002 7.743279 21.79241 
1 1 1   -1   20   28 o  258.751   14.919  848.312   95.991  848.312   95.991   0.0000   0.0000  258.751   14.919  ?   ?  0.000000 14.91917 
1 1 1   -1   20   29 o  468.231   17.975  2784.53  210.171  2825.99  364.113  2763.81  257.376  462.604   31.711  464.431   22.192 -1.827606 38.70467 
1 1 1   -1   20   30 o  199.903   13.675  506.305   67.855  463.804   98.917  544.080   93.255  189.312   21.293  206.110   18.309 -16.79793 28.08258 
1 1 1   -1   20   31 o  338.638   17.840  1460.84  150.329  1333.75  214.310  1583.95  210.926  319.389   27.127  349.744   24.301 -30.35519 36.42024 
1 1 1   -1   20   32 o  127.952   13.196  208.532   41.558  201.448   65.259  213.365   53.899  123.662   21.936  128.576   17.220 -4.914116 27.88712 
1 1 1   -1   20   33 o  229.332   11.704  663.481   66.801  758.436  122.012  622.833   79.829  242.836   20.307  221.562   14.508 21.27403 24.95715 
1 1 1   -1   20   34 o  121.353   11.159  186.741   33.436  220.897   69.711  176.536   38.105  129.438   22.377  117.593   13.205 11.84464 25.98215 
1 1 1   -1   20   35 o  195.894   11.679  484.763   56.874  415.548  108.629  510.901   66.755  177.497   25.217  200.765   13.392 -23.26773 28.55228 
1 1 1   -1   20   36 o  322.858   13.826  1317.19  111.474  1359.18  200.472  1298.40  134.121  322.741   25.071  319.192   16.887 3.548981 30.22758 
1 1 1   -1   20   37 o  306.462   13.595  1187.29  104.042  1156.04  189.438  1200.79  124.500  296.705   25.825  306.965   16.300 -10.26007 30.53901 
1 1 1   -1   20   38 o  158.738   11.651  319.445   45.862  191.047  100.990  352.804   51.475  117.176   33.070  166.688   12.457 -49.51144 35.33851 
1 1 1   -1   20   39 o  295.078   12.964  1102.60   95.526  1264.04  180.665  1039.95  112.546  310.263   23.492  285.168   15.867 25.09476 28.34879 
1 1 1   -1   20   40 o   84.914   12.506   93.262   25.725   71.124   90.553   95.206   26.830   81.985   31.486   85.713   12.938 -3.727867 34.04018 
1 1 1   -1   20   41 o  117.293   17.373  181.048   49.348   0.0000   0.0000  181.048   49.348  ?   ?   117.293   17.373 0.000000 17.37329 
1 1 1   -1   20   42 o  252.385   13.020  815.096   81.776  715.653  167.967  845.991   93.622  224.522   30.767  256.295   14.689 -31.77296 34.09401 
1 1 1   -1   20   43 o  149.478   11.072  285.655   41.036  242.555  122.415  291.112   43.556  124.677   36.793  150.715   11.664 -26.03823 38.59706 
1 1 1   -1   20   44 o  127.675   10.966  209.175   34.623  340.803  127.618  198.717   35.972  148.007   35.067  124.176   11.740 23.83063 36.97966 
1 1 1   -1   20   45 o   97.423   11.673  123.156   27.834  212.215  134.255  119.156   28.452  113.138   39.086   95.645   12.189 17.49298 40.94275 
1 1 1   -1   20   46 o  110.217   11.442  157.300   31.034  136.268  149.338  158.250   31.727   96.905   39.392  110.471   11.678 -13.56669 41.08679 
1 1 1   -1   21    1 o   65.634   17.048   56.531   28.194   56.531   28.194   0.0000   0.0000   65.634   17.048  ?   ?  0.000000 17.04847 
1 1 1   -1   21    2 o  361.633   12.993  1644.69  117.334  1711.37  167.441  1580.35  164.469  367.613   18.240  352.649   18.744 14.96402 26.15367 
1 1 1   -1   21    3 o  393.805   19.211  1964.73  188.917  2050.01  267.014  1879.25  267.324  398.641   26.982  380.992   28.300 17.64804 39.10099 
1 1 1   -1   21    4 o  380.936   13.290  1823.71  126.422  1799.14  179.877  1847.69  177.719  376.569   19.192  382.239   18.619 -5.670715 26.73935 
1 1 1   -1   21    5 o  433.760   14.458  2366.30  156.603  2501.26  222.635  2234.14  220.324  444.475   20.058  419.256   21.112 25.21909 29.12126 
1 1 1   -1   21    6 o  341.294   12.170  1461.47  103.725  1582.86  148.113  1344.64  145.305  354.419   16.735  325.968   17.919 28.45090 24.51867 
1 1 1   -1   21    7 f  619.713   19.224  4850.98  297.502  5151.24  421.745  4553.60  419.726  635.278   26.585  596.488   28.178 38.78961 38.73980 
1 1 1   -1   21    8 o  437.296   14.709  2403.32  160.621  2342.04  227.855  2463.84  226.456  430.174   21.211  441.402   20.545 -11.22720 29.52958 
1 1 1   -1   21    9 o  442.201   20.962  2473.14  231.476  2451.36  329.065  2494.48  325.675  436.218   30.398  440.318   29.794 -4.100616 42.56467 
1 1 1   -1   21   10 o  357.589   12.438  1603.70  111.065  1691.52  157.965  1517.85  156.188  366.496   17.260  346.565   18.110 19.93069 25.01775 
1 1 1   -1   21   11 o  289.929   11.027  1053.19   79.835  1075.72  113.784  1031.34  112.044  292.092   15.656  285.969   15.751 6.123352 22.20820 
1 1 1   -1   21   12 o  393.511   13.221  1943.04  129.921  1932.25  184.192  1953.72  183.285  391.422   18.844  393.632   18.646 -2.209808 26.50985 
1 1 1   -1   21   13 o  359.091   12.356  1617.01  110.799  1621.22  157.046  1612.84  156.343  358.773   17.529  357.850   17.496 0.9232788 24.76602 
1 1 1   -1   21   14 f  335.133   12.158  1408.32  101.752  1370.65  144.076  1445.81  143.723  329.403   17.579  338.449   17.060 -9.046875 24.49606 
1 1 1   -1   21   15 o  138.116   13.041  241.470   44.446  289.619   61.635  189.308   64.152  150.794   16.645  120.441   22.146 30.35237 27.70392 
1 1 1   -1   21   16 o   87.724   9.2891   97.409   20.039   93.891   28.648  100.781   28.042   85.383   13.915   88.680   13.053 -3.296478 19.07947 
1 1 1   -1   21   17 o  382.362   13.268  1835.55  126.690  1903.91  179.171  1767.19  179.163  388.415   18.472  373.557   19.272 14.85806 26.69512 
1 1 1   -1   21   18 o  518.595   16.330  3387.35  211.474  3163.31  298.516  3613.06  299.627  498.661   23.972  533.525   22.489 -34.86401 32.87008 
1 1 1   -1   21   19 o  251.708   10.103  793.856   63.503  799.017   89.244  788.562   90.381  251.693   14.258  249.984   14.541 1.708771 20.36468 
1 1 1   -1   21   20 o  285.770   10.392  1023.68   74.162  916.339  103.867  1135.33  105.927  269.287   15.511  300.450   14.118 -31.16290 20.97448 
1 1 1   -1   21   21 o  260.769   10.485  852.683   68.277  908.080   95.876  795.680   97.256  268.231   14.366  250.783   15.607 17.44864 21.21228 
1 1 1   -1   21   22 o  168.654   8.4985  357.114   35.677  343.901   49.155  371.823   51.865  165.038   12.009  171.615   12.181 -6.576614 17.10589 
1 1 1   -1   21   23 o  230.868   9.5682  668.196   55.163  650.581   76.849  686.920   79.229  226.938   13.624  233.203   13.665 -6.265182 19.29589 
1 1 1   -1   21   24 o  181.803   11.011  416.535   49.754  431.672   83.734  408.274   61.858  183.579   18.518  179.490   13.910 4.089386 23.16039 
1 1 1   -1   21   25 o  207.314   13.174  543.358   67.849  462.265   95.966  624.406   95.939  189.387   20.625  221.299   17.504 -31.91162 27.05128 
1 1 1   -1   21   26 o  212.463   13.499  571.132   71.247  421.565  100.981  719.390  100.537  179.979   22.994  237.677   17.052 -57.69786 28.62669 
1 1 1   -1   21   27 o   82.650   19.684   90.445   40.046   90.445   40.046   0.0000   0.0000   82.650   19.684  ?   ?  0.000000 19.68442 
1 1 1   -1   21   28 o   89.453   13.041  102.889   28.275  104.330   43.187  101.807   37.406   88.761   19.968   88.056   17.626 0.7047806 26.63416 
1 1 1   -1   21   29 o  241.660   14.353  739.993   86.226  714.030  123.248  764.884  120.678  235.344   21.199  244.063   19.975 -8.719116 29.12747 
1 1 1   -1   21   30 o  258.343   14.966  846.545   96.136  828.527  138.061  863.505  133.946  253.274   22.049  259.039   20.884 -5.764816 30.36942 
1 1 1   -1   21   31 o  217.120   13.735  597.221   74.087  611.750  107.759  584.197  102.024  218.020   20.016  213.218   19.373 4.802200 27.85618 
1 1 1   -1   21   32 o  281.112   15.475  1003.21  108.215  1040.31  156.075  968.858  150.173  283.854   22.195  273.897   22.146 9.957703 31.35358 
1 1 1   -1   21   33 o  344.767   17.193  1509.91  148.026  1630.66  212.206  1395.47  206.588  354.647   24.104  327.250   25.481 27.39694 35.07549 
1 1 1   -1   21   34 o   95.389   12.647  116.649   29.382   70.010   63.809  129.200   33.100   76.947   26.926  100.289   13.565 -23.34211 30.14952 
1 1 1   -1   21   35 o  211.880   11.697  566.993   61.651  516.749  114.037  587.742   73.283  198.839   23.415  215.284   13.703 -16.44473 27.13005 
1 1 1   -1   21   36 o  213.020   11.588  573.204   61.409  659.019  119.210  542.206   71.647  225.451   21.432  206.617   13.968 18.83359 25.58219 
1 1 1   -1   21   37 o  179.627   11.149  407.920   49.763  485.026  101.204  383.332   57.149  192.951   21.362  173.652   13.280 19.29874 25.15361 
1 1 1   -1   21   38 o  126.262   11.604  202.784   36.178  211.050   89.240  201.158   39.576  123.642   29.344  125.500   12.807 -1.858742 32.01680 
1 1 1   -1   21   39 o  195.240   10.972  482.514   53.279  678.817  113.374  426.873   60.360  228.314   20.090  183.005   13.299 45.30904 24.09267 
1 1 1   -1   21   40 o   77.265   13.250   77.903   24.645  127.671   84.574   73.284   25.763   96.476   30.969   74.640   14.343 21.83632 34.12957 
1 1 1   -1   21   41 o  219.955   12.343  616.807   67.520  493.038  139.789  654.469   77.112  186.630   31.088  226.047   13.726 -39.41660 33.98325 
1 1 1   -1   21   42 o  237.212   20.677  748.364  121.259   0.0000   0.0000  748.364  121.259  ?   ?   237.212   20.677 0.000000 20.67713 
1 1 1   -1   21   43 o   54.018   17.160   37.814   26.018   0.0000   0.0000   37.814   26.018  ?   ?    54.018   17.160 0.000000 17.16012 
1 1 1   -1   21   44 o  134.903   11.228  233.781   37.480  129.985  126.360  243.794   39.247   96.146   37.121  137.679   11.521 -41.53232 38.86803 
1 1 1   -1   21   45 o  227.560   11.983  666.219   67.856  846.123  167.665  630.980   74.205  241.313   28.365  220.549   13.539 20.76433 31.43019 
1 1 1   -1   21   46 o   48.936   13.946   31.956   17.871   0.0000   0.0000   31.956   17.871  ?   ?    48.936   13.946 0.000000 13.94649 
1 1 1   -1   22    1 f  307.628   11.340  1190.60   87.115  1248.79  125.271  1136.11  121.228  313.478   16.057  298.881   16.304 14.59659 22.88311 
1 1 1   -1   22    2 o  358.335   12.343  1616.61  110.453  1735.14  158.134  1503.69  154.342  369.829   17.123  343.531   18.055 26.29782 24.88311 
1 1 1   -1   22    3 o  284.753   11.278  1018.95   80.199  1059.95  115.399  980.642  111.535  289.049   16.051  277.968   16.138 11.08096 22.76064 
1 1 1   -1   22    4 o  181.035   12.984  414.537   58.309  475.622   82.502  353.573   82.420  193.073   17.295  165.492   20.374 27.58078 26.72476 
1 1 1   -1   22    5 o  201.301   11.235  510.344   56.249  490.207   98.832  519.992   68.410  195.301   20.574  202.802   13.587 -7.500702 24.65565 
1 1 1   -1   22    6 f  483.365   15.932  2948.23  192.304  2975.53  272.909  2921.31  271.019  483.023   22.626  478.579   22.678 4.443939 32.03415 
1 1 1   -1   22    7 o  395.365   13.415  1965.73  132.451  2088.00  188.546  1846.60  186.106  406.146   18.590  381.174   19.618 24.97232 27.02729 
1 1 1   -1   22    8 o  265.399   10.511  883.191   69.662  936.781  100.270  833.191   96.852  272.378   14.797  256.755   15.173 15.62265 21.19381 
1 1 1   -1   22    9 o  408.128   13.687  2094.19  139.492  2206.35  198.355  1984.45  196.206  417.576   19.022  395.285   19.941 22.29123 27.55890 
1 1 1   -1   22   10 o  531.512   24.896  3606.26  330.443  3112.89  467.965  4096.91  466.673  484.884   38.977  560.706   33.482 -75.82126 51.38359 
1 1 1   -1   22   11 o  532.548   24.737  3617.99  328.971  3466.89  466.387  3767.60  464.092  513.759   36.592  536.917   34.801 -23.15833 50.49813 
1 1 1   -1   22   12 o  146.247   8.8832  268.771   32.288  280.270   47.628  258.991   43.922  148.832   12.944  143.106   12.413 5.726028 17.93417 
1 1 1   -1   22   13 o  322.040   12.054  1301.52   96.937  1227.80  137.569  1374.22  136.616  311.372   17.766  329.746   16.645 -18.37378 24.34510 
1 1 1   -1   22   14 o  580.938   18.450  4264.59  267.650  4335.82  378.824  4193.60  378.205  582.338   26.050  572.497   26.455 9.840393 37.12775 
1 1 1   -1   22   15 o  129.938   8.7553  212.342   28.243  188.990   40.611  234.218   39.306  121.889   13.573  136.136   11.675 -14.24747 17.90315 
1 1 1   -1   22   16 f  475.809   15.590  2851.94  185.244  2716.64  261.767  2987.66  262.182  462.112   22.684  485.016   21.647 -22.90405 31.35515 
1 1 1   -1   22   17 o  401.153   19.641  2038.56  196.756  2169.27  277.643  1906.70  278.870  410.273   27.255  383.581   29.336 26.69260 40.04270 
1 1 1   -1   22   18 o  271.076   10.767  921.671   72.886  865.567  102.809  978.362  103.347  261.548   15.815  278.320   14.924 -16.77185 21.74509 
1 1 1   -1   22   19 o  221.271   9.3169  613.497   51.481  569.301   72.049  659.596   73.585  212.291   13.663  228.701   12.938 -16.41002 18.81680 
1 1 1   -1   22   20 o  413.796   13.917  2155.71  143.803  2106.41  202.835  2205.53  203.904  407.271   19.944  416.866   19.587 -9.595764 27.95402 
1 1 1   -1   22   21 f  259.455   9.9087  844.239   64.200  710.992   89.665  984.399   91.962  236.916   15.237  279.694   13.167 -42.77829 20.13739 
1 1 1   -1   22   22 f  143.800   8.7856  260.091   31.397  250.240   42.904  271.448   46.070  140.532   12.351  146.344   12.733 -5.811829 17.73935 
1 1 1   -1   22   23 o  220.833   9.3797  611.563   51.726  578.886   71.780  646.863   74.605  213.941   13.505  226.249   13.263 -12.30765 18.92828 
1 1 1   -1   22   24 o  211.754   9.5733  562.516   50.623  596.996   70.253  525.278   73.009  217.336   13.004  203.515   14.460 13.82068 19.44720 
1 1 1   -1   22   25 o  259.216   10.676  844.075   69.109  893.633   96.824  792.609   98.671  265.617   14.654  249.785   15.901 15.83220 21.62408 
1 1 1   -1   22   26 o  354.965   12.960  1587.70  114.881  1658.71  161.839  1515.58  163.100  361.311   17.937  344.505   19.032 16.80646 26.15289 
1 1 1   -1   22   27 o  160.621   12.319  326.717   49.036  321.110   69.549  332.259   69.148  157.991   17.947  160.857   17.496 -2.866333 25.06400 
1 1 1   -1   22   28 o  172.094   12.563  375.035   53.615  361.305   76.781  388.100   74.901  167.481   18.676  173.971   17.477 -6.489487 25.57854 
1 1 1   -1   22   29 o  116.119   12.069  171.552   34.484  211.117   51.415  139.201   46.492  128.033   16.462  103.032   18.761 25.00082 24.95973 
1 1 1   -1   22   30 o  191.548   13.494  465.197   64.131  384.880   92.447  539.704   89.040  171.870   22.048  205.367   17.530 -33.49626 28.16777 
1 1 1   -1   22   31 o  198.426   13.603  499.205   66.998  444.084   96.864  549.763   92.767  185.000   21.360  207.100   18.120 -22.09984 28.01010 
1 1 1   -1   22   32 o  246.272   14.062  768.599   86.121  877.351  124.822  669.794  118.976  261.545   19.247  227.688   21.168 33.85750 28.60946 
1 1 1   -1   22   33 o  284.961   15.826  1032.37  112.174  1026.55  161.452  1037.80  155.966  281.305   23.190  283.280   22.226 -1.974854 32.12131 
1 1 1   -1   22   34 o  179.066   13.646  407.288   60.559  415.761   92.738  400.988   79.962  178.844   21.176  176.446   18.419 2.398010 28.06603 
1 1 1   -1   22   35 o  175.545   11.287  389.509   49.214  490.248   92.993  350.316   58.003  194.906   19.362  165.850   14.140 29.05589 23.97591 
1 1 1   -1   22   36 o  133.814   11.509  227.226   38.084  232.992   78.692  225.462   43.520  131.932   24.795  132.936   13.288 -1.004395 28.13149 
1 1 1   -1   22   37 o  110.870   12.276  157.029   33.417   89.015   74.662  174.067   37.369   84.622   29.153  116.636   13.054 -32.01426 31.94191 
1 1 1   -1   22   38 f  152.151   11.472  293.798   43.267  213.952   93.317  315.664   48.834  123.947   30.384  157.505   12.519 -33.55741 32.86199 
1 1 1   -1   22   39 o  111.215   11.821  158.163   32.327  211.281   85.365  149.270   34.929  123.300   28.321  107.675   13.271 15.62508 31.27612 
1 1 1   -1   22   40 o  107.521   11.939  148.289   31.514  128.980   85.068  151.361   33.927   96.637   31.064  108.438   12.774 -11.80045 33.58759 
1 1 1   -1   22   41 o  110.286   11.728  156.122   31.805  131.227   93.811  159.355   33.807   97.012   32.691  111.265   12.377 -14.25319 34.95524 
1 1 1   -1   22   42 o   52.492   14.620   36.524   19.874   22.173   86.579   37.322   20.420   68.570   29.094   53.053   14.835 15.51675 32.65779 
1 1 1   -1   22   43 o  119.871   11.442  184.810   33.836  143.490  104.931  189.605   35.745   98.746   34.530  121.269   11.959 -22.52318 36.54219 
1 1 1   -1   22   44 o  143.229   17.474  273.649   61.203   0.0000   0.0000  273.649   61.203  ?   ?   143.229   17.474 0.000000 17.47391 
1 1 1   -1   22   45 o  188.167   18.801  476.682   87.163   0.0000   0.0000  476.682   87.163  ?   ?   188.167   18.801 0.000000 18.80148 
1 1 1   -1   23    1 o  189.085   13.914  455.009   65.240  455.978  105.300  454.405   83.113  186.266   23.137  187.797   17.941 -1.531250 29.27767 
1 1 1   -1   23    2 o  115.945   9.4232  169.957   27.047  194.530   43.071  153.957   34.755  123.182   14.266  109.687   12.937 13.49485 19.25854 
1 1 1   -1   23    3 o  339.368   12.357  1451.99  104.721  1504.26  150.053  1402.35  146.218  343.321   17.561  331.389   17.733 11.93253 24.95710 
1 1 1   -1   23    4 o  214.406   9.6950  577.202   51.908  659.997   76.794  507.549   70.436  228.278   13.532  199.931   14.200 28.34708 19.61524 
1 1 1   -1   23    5 o  321.453   12.192  1300.99   97.872  1289.80  140.199  1311.62  136.692  318.138   17.718  321.043   17.112 -2.905396 24.63193 
1 1 1   -1   23    6 o   80.625   14.661   84.565   28.430  120.415   41.695   53.417   38.866   95.873   18.079   65.351   20.996 30.52198 27.70667 
1 1 1   -1   23    7 o  312.350   11.997  1227.03   93.578  1177.43  133.740  1274.61  130.981  304.197   17.682  316.884   16.610 -12.68777 24.26010 
1 1 1   -1   23    8 o  186.202   8.7956  434.526   40.898  473.428   60.644  402.073   55.389  193.576   12.614  178.345   12.516 15.23073 17.77014 
1 1 1   -1   23    9 o  129.887   8.6559  212.312   27.915  266.196   43.229  173.772   36.559  145.032   12.045  116.854   12.735 28.17815 17.52864 
1 1 1   -1   23   10 o  425.962   14.232  2286.30  151.382  2362.08  215.119  2211.97  213.067  431.060   19.984  416.959   20.463 14.10190 28.60273 
1 1 1   -1   23   11 o  196.483   10.053  485.438   49.161  428.246   70.905  538.382   68.221  183.565   15.617  206.423   13.305 -22.85838 20.51608 
1 1 1   -1   23   12 o  329.422   17.111  1375.87  140.277  1350.44  200.654  1400.17  196.183  323.578   25.027  329.942   23.975 -6.364105 34.65733 
1 1 1   -1   23   13 o  385.905   13.412  1873.99  129.251  1765.89  183.236  1981.04  182.345  372.419   19.774  395.401   18.467 -22.98141 27.05632 
1 1 1   -1   23   14 o  575.420   18.385  4195.08  264.187  4156.65  373.940  4233.38  373.294  568.452   26.343  573.861   26.049 -5.409119 37.04709 
1 1 1   -1   23   15 o  352.952   12.587  1566.27  110.944  1523.10  157.135  1609.18  156.663  346.283   18.236  356.580   17.594 -10.29721 25.33943 
1 1 1   -1   23   16 o  283.657   10.697  1009.77   75.770  1097.11  107.497  923.522  106.817  295.027   14.591  269.989   15.914 25.03760 21.59023 
1 1 1   -1   23   17 o  296.388   11.293  1103.21   83.583  1105.99  118.273  1100.44  118.136  295.460   16.091  294.711   16.113 0.7494507 22.77170 
1 1 1   -1   23   18 o  308.955   11.126  1198.73   85.842  1294.48  121.149  1102.18  121.650  320.270   15.148  294.765   16.594 25.50552 22.46834 
1 1 1   -1   23   19 o  304.453   16.714  1176.33  126.588  1381.89  178.044  966.196  180.016  328.243   21.846  272.312   26.821 55.93100 34.59175 
1 1 1   -1   23   20 o  499.819   15.994  3159.04  199.628  3008.27  281.876  3310.75  282.761  484.330   23.306  508.685   22.260 -24.35593 32.22825 
1 1 1   -1   23   21 o  205.355   9.3362  528.909   47.877  461.603   66.607  600.855   68.865  190.798   14.079  218.101   12.699 -27.30339 18.96018 
1 1 1   -1   23   22 o  154.853   8.9158  301.658   34.331  281.771   47.198  324.001   50.028  149.038   12.806  159.923   12.630 -10.88562 17.98650 
1 1 1   -1   23   23 f  295.703   11.395  1099.55   84.147  1139.31  118.005  1058.42  120.024  299.617   15.828  288.480   16.733 11.13779 23.03298 
1 1 1   -1   23   24 o  385.108   13.251  1870.04  127.432  1810.08  179.115  1931.49  181.337  376.446   19.116  389.525   18.642 -13.07874 26.70155 
1 1 1   -1   23   25 o  137.595   14.592  241.847   49.372   0.0000   0.0000  241.847   49.372  ?   ?   137.595   14.592 0.000000 14.59170 
1 1 1   -1   23   26 o  163.752   12.255  339.570   49.751  339.570   49.751   0.0000   0.0000  163.752   12.255  ?   ?  0.000000 12.25532 
1 1 1   -1   23   27 o  110.392   8.8600  153.833   24.218  145.506   32.004  164.992   37.046  106.805   12.219  113.610   13.310 -6.805122 18.06869 
1 1 1   -1   23   28 o  242.466   10.507  738.880   63.621  789.708   88.676  684.965   91.330  249.583   14.287  231.968   15.862 17.61453 21.34751 
1 1 1   -1   23   29 o  197.498   11.458  492.474   56.267  520.502   95.192  477.422   69.758  201.107   19.188  193.794   14.520 7.312561 24.06261 
1 1 1   -1   23   30 o  299.778   16.075  1142.71  119.902  1124.25  170.345  1160.83  168.800  294.417   23.361  299.483   22.741 -5.066284 32.60209 
1 1 1   -1   23   31 o  105.897   13.265  143.658   34.308  126.052   51.999  157.231   45.655   97.223   21.939  109.989   17.184 -12.76656 27.86783 
1 1 1   -1   23   32 o  180.571   13.080  413.516   58.579  421.657   85.894  406.436   80.096  180.728   19.332  177.699   18.312 3.028641 26.62821 
1 1 1   -1   23   33 o  441.210   21.383  2501.16  235.594  2428.29  334.537  2572.86  331.839  426.712   31.620  440.367   30.362 -13.65479 43.83650 
1 1 1   -1   23   34 o  197.873   13.403  496.792   65.838  540.790   97.397  459.771   89.341  204.807   19.270  188.723   19.226 16.08388 27.22074 
1 1 1   -1   23   35 o  131.788   14.623  222.588   47.314  166.865   78.234  254.723   59.411  110.571   28.235  140.412   17.310 -29.84157 33.11870 
1 1 1   -1   23   36 o   60.398   16.055   48.032   24.632   88.364   58.821   39.455   27.125   82.207   25.762   55.801   17.496 26.40557 31.14112 
1 1 1   -1   23   37 o  280.330   12.972  994.314   90.811  1022.73  163.915  981.728  109.081  279.152   23.739  277.238   15.822 1.913086 28.52854 
1 1 1   -1   23   38 o   99.400   12.845  127.156   31.138   74.601   70.803  139.758   34.671   79.035   28.294  104.090   13.669 -25.05469 31.42300 
1 1 1   -1   23   39 o  122.977   11.601  193.028   35.204  249.980   84.993  181.234   38.678  134.978   26.160  118.724   13.273 16.25406 29.33474 
1 1 1   -1   23   40 f  190.806   11.558  463.228   54.812  473.517  111.697  459.964   62.908  187.089   24.496  189.533   13.377 -2.443954 27.91092 
1 1 1   -1   23   41 o   81.425   13.516   86.875   26.519   38.210   83.221   92.375   27.977   71.286   29.241   83.932   13.830 -12.64568 32.34624 
1 1 1   -1   23   42 o  119.539   11.438  183.528   33.726  230.499   98.024  177.221   35.918  124.534   31.499  117.143   12.470 7.390656 33.87755 
1 1 1   -1   23   43 o  194.581   11.944  485.987   57.756  388.634  126.399  511.677   64.931  160.582   32.633  199.116   13.132 -38.53345 35.17661 
1 1 1   -1   23   44 o  116.058   11.353  173.787   32.482  123.326  108.750  178.730   34.036   92.646   34.749  117.579   11.749 -24.93267 36.68179 
1 1 1   -1   23   45 o  138.507   17.436  257.560   58.972   0.0000   0.0000  257.560   58.972  ?   ?   138.507   17.436 0.000000 17.43629 
1 1 1   -1   24    1 o  344.787   12.393  1503.52  106.701  1573.28  153.503  1438.31  148.419  350.010   17.619  334.510   17.832 15.50076 25.06808 
1 1 1   -1   24    2 o  123.395   9.1088  192.406   27.869  280.884   45.510  139.315   35.253  148.578   12.378  103.941   13.932 44.63737 18.63701 
1 1 1   -1   24    3 o  322.130   16.857  1327.16  135.129  1394.48  198.916  1269.47  184.141  325.918   24.622  311.353   23.865 14.56522 34.28992 
1 1 1   -1   24    4 o  113.121   9.5331  161.949   26.679  229.695   43.245  120.323   33.898  134.190   13.071   96.405   14.532 37.78521 19.54558 
1 1 1   -1   24    5 o  136.976   9.7758  236.988   33.219  239.439   51.488  235.241   43.479  136.551   15.366  135.876   12.971 0.6755371 20.10941 
1 1 1   -1   24    6 o  185.486   9.4505  433.206   43.629  431.072   65.464  434.911   58.520  184.027   14.359  185.225   12.729 -1.197235 19.18863 
1 1 1   -1   24    7 o  355.406   12.805  1593.40  113.645  1594.40  162.340  1592.43  159.143  353.125   18.474  353.067   18.111 0.5734253E-01 25.87081 
1 1 1   -1   24    8 o  272.264   15.064  940.955  102.022  1040.77  145.010  843.118  143.563  284.429   20.554  254.977   22.787 29.45251 30.68786 
1 1 1   -1   24    9 o  253.313   10.261  806.099   64.910  863.867   93.881  753.189   89.847  261.066   14.457  243.617   14.839 17.44928 20.71734 
1 1 1   -1   24   10 o  170.140   9.3569  364.307   39.602  410.781   59.110  326.456   53.344  180.021   13.242  160.334   13.448 19.68723 18.87271 
1 1 1   -1   24   11 o  549.404   17.738  3834.12  243.354  3844.87  344.847  3823.45  343.467  545.374   25.321  543.875   25.289 1.498108 35.78685 
1 1 1   -1   24   12 o  190.126   8.5913  453.143   40.790  541.263   59.870  376.805   55.723  207.131   11.622  172.450   13.036 34.68121 17.46423 
1 1 1   -1   24   13 o  224.253   9.6935  631.068   54.284  652.150   78.078  611.343   75.524  226.971   13.842  219.731   13.835 7.240112 19.56999 
1 1 1   -1   24   14 o  149.954   12.703  285.141   47.121  259.532   71.822  304.495   62.437  141.092   21.027  154.217   16.467 -13.12465 26.70789 
1 1 1   -1   24   15 o  458.352   15.099  2654.95  172.820  2599.21  244.621  2710.49  244.188  450.627   21.738  460.429   21.238 -9.801971 30.39080 
1 1 1   -1   24   16 o  154.558   9.2129  300.671   35.396  282.805   50.682  317.682   49.456  149.129   13.765  158.347   12.612 -9.217545 18.66897 
1 1 1   -1   24   17 o  137.273   8.8337  237.242   30.121  238.915   42.721  235.589   42.474  137.174   12.613  136.206   12.631 0.9678955 17.85017 
1 1 1   -1   24   18 o  288.377   10.913  1045.15   78.585  1100.16  111.205  990.269  111.068  294.603   15.167  279.226   15.995 15.37741 22.04315 
1 1 1   -1   24   19 o  140.342   9.2660  248.165   32.291  253.404   45.587  242.888   45.747  141.201   13.077  138.147   13.431 3.054489 18.74528 
1 1 1   -1   24   20 o  168.904   10.080  359.523   42.324  314.174   49.797  477.516   80.325  157.391   12.780  193.318   16.806 -35.92683 21.11374 
1 1 1   -1   24   21 o  105.766   13.703  143.467   35.342   96.060   44.738  222.159   57.640   84.979   21.163  130.985   18.106 -46.00534 27.85106 
1 1 1   -1   24   22 o   78.925   9.7858   79.394   18.873   47.190   25.562  117.987   27.983   60.061   16.525   96.091   11.918 -36.03061 20.37405 
1 1 1   -1   24   23 o  312.457   11.172  1228.08   87.168  1136.11  122.257  1323.17  124.316  298.812   16.448  323.253   15.401 -24.44116 22.53211 
1 1 1   -1   24   24 o  414.511   16.706  2181.48  172.924  1996.74  297.819  2275.44  212.394  387.770   31.015  421.749   20.167 -33.97876 36.99537 
1 1 1   -1   24   25 o  202.814   8.8763  516.059   44.955  418.760   61.172  630.318   66.289  181.624   13.586  223.405   11.925 -41.78073 18.07730 
1 1 1   -1   24   26 f  319.787   12.164  1288.49   97.139  1388.88  136.209  1184.59  138.573  330.762   16.491  304.371   18.317 26.39066 24.64659 
1 1 1   -1   24   27 o  177.817   9.1724  397.895   40.590  416.859   55.216  375.597   59.873  181.472   12.256  171.832   14.077 9.639923 18.66480 
1 1 1   -1   24   28 o  105.293   9.3155  140.247   24.241  153.111   31.782  122.355   37.483  109.646   11.793   96.995   16.036 12.65076 19.90500 
1 1 1   -1   24   29 o  279.955   11.441  986.607   79.982  1088.28  111.773  879.911  114.500  292.694   15.346  262.384   17.577 30.30997 23.33304 
1 1 1   -1   24   30 o  217.004   9.7307  591.486   52.731  585.362   72.582  598.331   76.737  214.857   13.598  217.076   14.235 -2.219040 19.68592 
1 1 1   -1   24   31 o  297.420   11.691  1114.13   86.833  1142.84  121.438  1084.08  124.209  299.590   16.293  291.462   17.141 8.128510 23.64931 
1 1 1   -1   24   32 o  202.102   11.495  515.992   57.776  499.927   97.750  524.617   71.627  196.557   20.202  203.174   14.207 -6.617401 24.69762 
1 1 1   -1   24   33 o  234.051   14.435  695.984   83.955  662.315  120.751  727.491  116.809  225.869   21.675  237.510   19.877 -11.64157 29.40899 
1 1 1   -1   24   34 o  119.012   13.481  181.256   39.358  187.182   61.331  177.108   51.318  118.911   21.443  116.474   18.243 2.437202 28.15297 
1 1 1   -1   24   35 o  215.032   14.152  588.118   75.566  591.323  111.303  585.378  102.921  213.240   21.182  212.764   19.591 0.4755707 28.85309 
1 1 1   -1   24   36 o   91.178   13.564  107.479   29.943  160.729   58.793   88.829   34.794  109.558   22.249   81.882   17.544 27.67619 28.33422 
1 1 1   -1   24   37 o  216.335   11.712  592.889   63.037  727.016  117.185  538.274   74.778  236.511   20.030  205.245   14.687 31.26559 24.83718 
1 1 1   -1   24   38 o  105.352   12.298  142.424   31.746   84.723   67.969  158.523   35.903   81.485   27.824  111.002   13.212 -29.51683 30.80155 
1 1 1   -1   24   39 o  189.579   11.610  457.008   54.696  515.003  108.331  437.165   63.366  196.662   22.462  184.699   13.839 11.96243 26.38278 
1 1 1   -1   24   40 o   57.385   15.886   43.721   23.540   8.3959   69.707   48.268   25.009   60.626   25.924   60.169   16.259 0.4569550 30.60118 
1 1 1   -1   24   41 o  101.807   12.160  133.883   30.302  138.050   77.930  133.141   32.890   97.972   29.461  101.182   13.342 -3.210129 32.34126 
1 1 1   -1   24   42 o  225.936   12.039  654.032   67.678  703.779  136.713  637.883   77.892  225.621   24.667  222.066   14.119 3.554520 28.42210 
1 1 1   -1   24   43 o   71.828   13.668   68.591   23.621   11.691   84.075   73.467   24.612   64.812   28.098   74.372   13.759 -9.560051 31.28622 
1 1 1   -1   24   44 o  132.244   11.579  225.683   37.853  134.229  106.177  238.999   40.515   94.667   34.544  135.932   12.061 -41.26567 36.58897 
1 1 1   -1   25    1 o  182.127   9.7933  419.088   44.377  412.968   67.828  423.669   58.679  179.283   15.296  182.322   12.973 -3.038757 20.05681 
1 1 1   -1   25    2 o   93.058   10.499  110.550   23.972  124.452   40.451  103.026   29.761   97.179   17.303   89.072   13.828 8.106972 22.15008 
1 1 1   -1   25    3 o  226.616   10.065  646.892   56.959  723.414   85.026  584.595   76.718  238.156   14.364  213.978   14.442 24.17807 20.36912 
1 1 1   -1   25    4 o  201.243   14.470  517.071   72.234  499.561  116.151  528.114   92.242  193.878   24.540  202.006   18.491 -8.128510 30.72691 
1 1 1   -1   25    5 o  207.797   9.9356  543.445   51.557  614.852   77.370  486.412   69.146  219.694   14.178  195.274   14.279 24.41988 20.12246 
1 1 1   -1   25    6 o   66.870   12.171   58.179   19.574   43.373   35.499   64.647   23.464   59.719   20.110   70.250   13.868 -10.53051 24.42757 
1 1 1   -1   25    7 o  143.115   9.6241  258.648   34.195  224.841   52.793  283.082   44.883  131.925   16.377  149.272   12.146 -17.34671 20.38981 
1 1 1   -1   25    8 o  185.714   9.1532  433.245   42.449  492.201   63.757  386.303   56.891  196.923   13.039  174.328   13.166 22.59489 18.52975 
1 1 1   -1   25    9 o  331.426   16.922  1402.37  139.585  1596.94  198.352  1211.48  196.468  350.664   22.775  303.332   26.194 47.33264 34.71055 
1 1 1   -1   25   10 o  293.528   15.701  1096.74  114.672  1274.42  163.001  922.637  161.354  314.223   20.892  265.425   24.624 48.79831 32.29284 
1 1 1   -1   25   11 o  225.444   9.5492  638.433   53.760  670.769   78.250  609.527   73.985  229.964   13.688  219.204   13.583 10.75986 19.28352 
1 1 1   -1   25   12 o  286.631   11.242  1034.23   80.464  1055.53  115.209  1013.94  112.430  287.916   16.088  282.193   16.021 5.723267 22.70445 
1 1 1   -1   25   13 o  182.915   9.5714  421.327   43.568  437.203   63.623  407.309   59.783  185.497   13.835  179.090   13.466 6.406784 19.30634 
1 1 1   -1   25   14 o  350.533   12.741  1549.93  111.531  1526.94  158.478  1572.49  156.989  345.552   18.432  350.882   17.977 -5.329865 25.74723 
1 1 1   -1   25   15 o  333.735   11.950  1403.14   99.591  1503.00  141.739  1305.77  139.963  344.024   16.499  319.838   17.592 24.18555 24.11792 
1 1 1   -1   25   16 o  111.558   13.753  159.513   37.503   78.874   59.481  212.722   48.317   79.098   26.014  128.713   15.334 -49.61485 30.19744 
1 1 1   -1   25   17 o  136.734   8.8088  235.532   29.917  226.454   43.425  243.734   41.276  133.312   13.218  138.579   12.048 -5.266357 17.88488 
1 1 1   -1   25   18 o  307.016   11.725  1187.08   89.894  1203.81  127.272  1170.42  126.988  307.415   16.641  303.034   16.848 4.381287 23.68049 
1 1 1   -1   25   19 o  405.300   14.056  2076.62  142.263  2100.27  201.145  2052.95  201.236  405.111   19.883  399.889   20.218 5.222076 28.35640 
1 1 1   -1   25   20 o  218.335   10.160  599.102   55.393  640.478   78.140  557.303   78.537  224.676   13.997  209.232   15.133 15.44319 20.61378 
1 1 1   -1   25   21 o  216.335   9.4254  587.658   50.919  645.146   71.613  528.877   72.414  225.794   12.753  204.004   14.305 21.79065 19.16430 
1 1 1   -1   25   22 o  167.092   10.878  352.694   45.143  357.262   53.131  340.834   85.606  167.809   12.775  161.466   21.787 6.343079 25.25652 
1 1 1   -1   25   23 o  116.199   14.267  173.248   40.528  164.777   50.913  187.899   66.959  112.181   18.843  118.702   23.421 -6.521461 30.05963 
1 1 1   -1   25   24 o  382.180   12.590  1842.41  120.154  1705.07  168.803  1983.45  171.066  365.046   18.579  394.741   17.354 -29.69525 25.42320 
1 1 1   -1   25   25 o  312.478   11.657  1229.91   90.963  1317.63  127.307  1138.41  130.019  322.246   15.820  298.511   17.519 23.73483 23.60480 
1 1 1   -1   25   26 o  228.074   9.9313  653.667   56.563  651.482   78.020  656.088   82.122  226.602   13.854  227.221   14.550 -0.6188202 20.09044 
1 1 1   -1   25   27 o  305.911   11.630  1178.77   88.843  1202.15  124.186  1154.26  127.153  307.248   16.244  300.771   16.999 6.476959 23.51206 
1 1 1   -1   25   28 o  155.050   9.4136  302.998   36.276  321.418   48.855  280.361   54.158  159.182   12.388  148.076   14.846 11.10583 19.33581 
1 1 1   -1   25   29 o  201.443   9.8662  509.908   49.631  531.177   67.892  485.497   72.736  204.641   13.359  195.192   15.038 9.449081 20.11459 
1 1 1   -1   25   30 o  236.426   10.728  703.251   63.338  784.739   87.661  614.240   91.617  248.661   14.176  219.129   16.873 29.53120 22.03720 
1 1 1   -1   25   31 o  353.140   13.054  1574.92  115.115  1648.58  161.384  1498.62  164.247  359.030   18.058  341.677   19.329 17.35306 26.45197 
1 1 1   -1   25   32 o  166.752   9.7829  350.643   40.559  367.044   54.871  330.890   60.218  169.987   13.026  160.847   15.171 9.139954 19.99593 
1 1 1   -1   25   33 o  155.364   11.913  306.125   45.868  319.589   76.018  298.416   57.518  156.682   19.876  152.620   15.298 4.062500 25.08136 
1 1 1   -1   25   34 o   74.580   14.433   72.817   25.908   49.495   44.469   84.800   31.877   64.722   22.487   80.215   16.465 -15.49385 27.87084 
1 1 1   -1   25   35 o  217.723   12.315  600.710   66.681  703.084  115.180  549.100   81.780  232.919   19.996  207.092   15.936 25.82654 25.56984 
1 1 1   -1   25   36 o  260.017   13.145  858.586   85.076  945.967  147.845  815.326  104.025  268.890   22.217  252.100   16.617 16.79005 27.74411 
1 1 1   -1   25   37 o   88.797   13.512  102.291   29.017  146.119   57.931   87.613   33.526  103.781   22.962   81.224   17.071 22.55715 28.61217 
1 1 1   -1   25   38 o  249.958   12.458  792.926   77.759  849.225  139.421  767.507   93.683  253.415   22.257  244.421   15.428 8.993774 27.08125 
1 1 1   -1   25   39 f  160.113   11.694  326.968   46.432  290.157   87.954  341.191   54.671  145.417   25.130  162.999   13.554 -17.58133 28.55218 
1 1 1   -1   25   40 o   70.856   15.559   67.102   26.776  143.662   74.130   55.614   28.715  100.270   28.345   64.336   17.437 35.93391 33.27946 
1 1 1   -1   25   41 o  111.694   11.875  160.811   32.613  170.200   75.517  158.659   36.159  108.501   27.758  110.476   13.379 -1.975220 30.81460 
1 1 1   -1   25   42 o  149.298   11.143  285.747   41.246  399.279   95.974  260.028   45.679  169.967   23.219  141.693   13.057 28.27368 26.63857 
1 1 1   -1   25   43 o   80.607   13.229   85.780   25.705  147.803   81.926   79.007   27.072   98.967   30.304   76.851   14.641 22.11674 33.65544 
1 1 1   -1   25   44 o   39.236   14.534   16.211   18.908   0.0000   0.0000   16.211   18.908  ?   ?    39.236   14.534 0.000000 14.53389 
1 1 1   -1   26    1 o  305.581   16.628  1202.78  126.406  1160.93  177.844  1245.52  179.699  295.112   24.350  306.246   23.682 -11.13477 33.96682 
1 1 1   -1   26    2 o   64.737   12.276   54.809   19.119   86.600   36.209   42.520   22.513   80.397   18.429   56.748   15.464 23.64816 24.05811 
1 1 1   -1   26    3 o  202.912   9.6350  518.733   48.822  625.037   74.828  439.938   64.423  221.360   13.603  185.447   14.015 35.91299 19.53065 
1 1 1   -1   26    4 o  169.325   9.6269  362.238   40.538  399.114   63.353  336.672   52.751  176.491   14.503  162.394   13.120 14.09663 19.55669 
1 1 1   -1   26    5 o  154.653   9.4283  302.137   36.238  427.790   57.850  220.991   46.489  183.336   12.714  131.053   14.445 52.28265 19.24384 
1 1 1   -1   26    6 o  220.212   16.097  622.333   87.908  464.188  135.561  737.095  115.480  183.497   30.666  238.263   19.582 -54.76614 36.38500 
1 1 1   -1   26    7 o  485.848   16.398  3014.79  198.955  2942.67  283.024  3085.25  279.733  473.454   24.017  486.219   23.039 -12.76523 33.28075 
1 1 1   -1   26    8 o  260.461   10.710  855.074   69.660  867.832  101.746  843.817   95.573  260.549   15.711  257.191   14.945 3.357971 21.68435 
1 1 1   -1   26    9 o  368.760   12.519  1719.27  115.284  1872.99  165.389  1574.00  160.780  382.731   17.305  349.841   18.469 32.88965 25.30947 
1 1 1   -1   26   10 o  191.101   9.5234  459.220   45.447  481.671   67.812  440.914   61.234  194.428   14.062  186.189   13.257 8.238266 19.32538 
1 1 1   -1   26   11 o   99.662   14.036  128.233   33.964  171.319   48.471   86.674   47.605  114.587   17.494   80.580   22.692 34.00705 28.65273 
1 1 1   -1   26   12 o  148.007   9.3121  276.358   34.242  261.550   51.866  287.799   45.590  142.852   14.752  150.500   12.237 -7.648499 19.16645 
1 1 1   -1   26   13 o  127.749   9.4809  206.220   30.030  216.969   46.131  198.316   39.559  130.066   14.447  124.627   12.898 5.438484 19.36672 
1 1 1   -1   26   14 o  242.487   10.434  739.951   63.180  745.764   90.864  734.510   87.908  241.954   15.114  240.236   14.725 1.718445 21.10109 
1 1 1   -1   26   15 o  167.544   9.4422  353.824   39.344  380.017   57.664  331.008   53.817  172.839   13.466  161.234   13.490 11.60536 19.06140 
1 1 1   -1   26   16 o  195.636   9.6291  481.015   47.042  480.708   67.629  481.302   65.478  194.383   14.026  194.621   13.557 -0.2381897 19.50758 
1 1 1   -1   26   17 o  195.635   13.692  486.425   66.470  442.280   98.581  523.227   90.009  183.981   21.886  201.661   18.065 -17.67973 28.37887 
1 1 1   -1   26   18 o  181.885   13.887  420.946   62.598  325.084   92.302  502.586   85.181  156.514   24.413  197.831   17.420 -41.31726 29.99071 
1 1 1   -1   26   19 o   87.249   9.7642   96.845   20.909   92.164   31.167  100.677   28.195   83.959   15.434   88.330   13.186 -4.371330 20.30024 
1 1 1   -1   26   20 o  250.224   10.843  788.135   67.750  840.826   95.937  735.714   95.691  257.087   15.009  240.100   16.052 16.98682 21.97583 
1 1 1   -1   26   21 o   74.970   10.790   72.158   19.619   70.636   28.990   73.444   26.648   73.155   16.288   74.873   14.777 -1.718193 21.99193 
1 1 1   -1   26   22 o  210.473   9.6143  556.644   50.532  557.076   70.898  556.200   72.041  209.460   13.629  209.234   13.866 0.2262726 19.44272 
1 1 1   -1   26   23 o  319.928   13.888  1294.98  110.951  1423.59  191.695  1230.20  136.056  330.763   23.358  310.108   17.642 20.65485 29.27224 
1 1 1   -1   26   24 o  265.062   21.738  911.236  142.619  911.236  142.619   0.0000   0.0000  265.062   21.738  ?   ?  0.000000 21.73799 
1 1 1   -1   26   25 o  253.881   14.831  819.625   93.616  741.587  126.211  915.075  139.583  239.120   21.361  265.869   21.200 -26.74910 30.09563 
1 1 1   -1   26   26 o  304.177   11.216  1165.23   85.192  1068.79  118.673  1267.78  122.371  289.437   16.487  316.047   15.505 -26.60995 22.63272 
1 1 1   -1   26   27 o  115.148   9.1096  167.518   25.980  165.016   34.426  170.827   39.598  113.726   12.319  115.377   14.033 -1.650856 18.67286 
1 1 1   -1   26   28 o  138.048   9.3618  240.463   32.082  258.521   42.801  217.306   48.469  142.673   12.128  130.051   15.212 12.62146 19.45494 
1 1 1   -1   26   29 o   83.063   10.327   88.088   20.958   82.862   26.786   96.339   33.657   79.811   13.947   85.695   16.324 -5.883766 21.47073 
1 1 1   -1   26   30 o  349.263   12.962  1541.04  113.055  1605.19  158.161  1474.00  161.665  354.154   17.942  338.742   19.190 15.41208 26.27163 
1 1 1   -1   26   31 o  254.459   10.908  815.315   69.315  821.596   95.461  808.310  100.810  254.029   15.117  251.625   16.128 2.403870 22.10525 
1 1 1   -1   26   32 o  144.016   9.0716  261.532   32.458  251.302   42.683  275.559   49.981  140.581   12.282  146.926   13.784 -6.345764 18.46155 
1 1 1   -1   26   33 o  265.464   11.104  888.077   73.611  943.697  101.872  827.305  106.486  272.212   15.045  254.172   16.873 18.04080 22.60617 
1 1 1   -1   26   34 o  129.276   11.456  212.441   36.601  176.212   59.399  234.619   46.473  115.034   21.467  135.354   13.949 -20.31992 25.60106 
1 1 1   -1   26   35 o  127.632   12.120  207.719   38.167  219.771   63.289  200.830   47.847  129.026   20.314  124.597   15.728 4.429214 25.69123 
1 1 1   -1   26   36 o  302.289   14.375  1162.95  108.510  1379.31  186.985  1053.09  133.240  323.562   23.298  285.184   18.815 38.37766 29.94647 
1 1 1   -1   26   37 o   85.252   14.168   94.953   29.103  130.237   52.189   79.028   35.061   97.947   21.888   76.723   18.512 21.22377 28.66710 
1 1 1   -1   26   38 o  192.365   11.876  471.338   56.769  673.054  101.648  379.903   68.436  227.249   18.061  171.131   16.207 56.11800 24.26682 
1 1 1   -1   26   39 o  227.681   12.315  661.963   69.757  791.847  125.069  603.313   84.044  244.318   20.694  215.830   15.701 28.48793 25.97633 
1 1 1   -1   26   40 o  144.083   11.344  265.688   40.487  298.924   79.512  254.055   47.042  148.152   22.174  140.124   13.616 8.027985 26.02029 
1 1 1   -1   26   41 o  106.010   12.131  145.480   31.535  236.467   69.606  121.980   35.374  131.032   22.056   95.943   15.277 35.08834 26.82986 
1 1 1   -1   26   42 o   78.531   14.032   81.942   26.507   55.591   65.402   87.121   28.995   69.667   26.757   80.742   14.931 -11.07528 30.64117 
1 1 1   -1   26   43 o   87.793   14.332  102.453   30.336   0.0000   0.0000  102.453   30.336  ?   ?    87.793   14.332 0.000000 14.33190 
1 1 1   -1   27    1 o  100.892   11.198  130.420   27.737  122.574   51.257  133.669   32.983   94.732   22.076  101.634   13.316 -6.902313 25.78129 
1 1 1   -1   27    2 o  106.192   15.208  147.066   39.176  167.150   53.916  124.600   57.022  111.762   20.055   95.137   24.003 16.62553 31.27866 
1 1 1   -1   27    3 o  153.268   9.5754  297.301   36.465  317.686   59.116  284.781   46.329  156.877   15.284  149.273   12.545 7.603897 19.77339 
1 1 1   -1   27    4 o  119.415   9.8288  181.008   29.049  240.775   49.587  149.778   35.844  136.588   14.773  107.687   13.635 28.90049 20.10358 
1 1 1   -1   27    5 o  143.372   10.201  260.604   36.283  240.306   58.341  273.406   46.333  135.597   17.648  146.242   12.817 -10.64514 21.81070 
1 1 1   -1   27    6 o  256.898   10.679  833.179   68.508  934.186  101.755  749.429   92.655  270.134   15.145  241.750   15.428 28.38361 21.61982 
1 1 1   -1   27    7 o  427.706   21.044  2379.75  224.761  2423.06  325.087  2340.08  311.094  420.785   31.159  414.512   30.263 6.273102 43.43684 
1 1 1   -1   27    8 o  100.688   14.696  131.628   35.863  102.231   79.851  139.057   40.140   88.764   30.159  103.170   16.106 -14.40522 34.19030 
1 1 1   -1   27    9 o  146.219   9.3359  270.096   33.911  296.922   54.261  252.904   43.439  152.147   14.455  140.812   12.483 11.33455 19.09896 
1 1 1   -1   27   10 o  166.124   9.7082  348.562   40.098  351.743   61.373  346.193   52.967  165.586   15.005  164.820   12.974 0.7665253 19.83630 
1 1 1   -1   27   11 o  136.970   9.3892  237.087   31.921  258.924   50.314  222.376   41.296  142.072   14.380  131.970   12.687 10.10139 19.17679 
1 1 1   -1   27   12 o  125.175   9.6972  198.325   30.076  208.980   47.262  191.074   38.989  127.312   15.164  122.193   12.976 5.118698 19.95810 
1 1 1   -1   27   13 o  172.270   13.469  378.216   57.482  384.520   80.875  371.780   81.715  171.964   19.159  168.850   19.753 3.113205 27.51837 
1 1 1   -1   27   14 o  291.147   10.872  1068.43   79.042  1131.41  113.661  1009.45  109.993  297.852   15.333  281.143   15.730 16.70865 21.96692 
1 1 1   -1   27   15 o  378.629   13.337  1815.14  126.102  1829.34  179.420  1801.27  177.270  376.918   19.125  374.057   19.041 2.860901 26.98724 
1 1 1   -1   27   16 o  317.771   11.491  1273.78   91.182  1335.44  130.085  1214.23  127.844  323.792   16.088  308.102   16.679 15.69012 23.17343 
1 1 1   -1   27   17 o  284.628   11.455  1021.75   81.416  1034.80  116.053  1009.10  114.246  284.507   16.404  280.960   16.354 3.547333 23.16384 
1 1 1   -1   27   18 o  395.216   13.864  1978.83  136.823  1959.09  193.914  1998.40  193.083  389.751   19.991  394.328   19.608 -4.576050 28.00207 
1 1 1   -1   27   19 o  127.045   15.044  207.671   46.801   45.224   72.441  324.049   61.315   71.519   27.968  158.910   15.654 -87.39149 32.05125 
1 1 1   -1   27   20 o  279.719   16.204  999.284  112.703  886.480  162.115  1104.80  156.790  259.216   25.370  291.644   21.684 -32.42853 33.37363 
1 1 1   -1   27   21 o  131.411   10.183  218.557   33.154  184.221   47.196  252.012   46.585  119.263   16.272  140.511   13.441 -21.24754 21.10482 
1 1 1   -1   27   22 o  255.940   15.116  834.486   96.185   0.0000   0.0000  834.486   96.185  ?   ?   255.940   15.116 0.000000 15.11648 
1 1 1   -1   27   23 o  127.393   11.780  206.392   37.052  221.380   42.009  153.898   78.620  131.736   12.937  106.003   28.904 25.73348 31.66745 
1 1 1   -1   27   24 o  443.386   14.962  2494.87  165.660  2512.52  233.518  2476.99  235.046  441.387   21.186  438.055   21.487 3.331390 30.17506 
1 1 1   -1   27   25 o  106.104   9.9157  142.780   25.968  119.664   35.598  169.072   37.965   95.938   15.378  114.851   13.494 -18.91299 20.45957 
1 1 1   -1   27   26 o  130.231   15.073  217.975   48.112  234.918   58.646  183.101   84.139  134.511   17.904  115.413   29.178 19.09797 34.23312 
1 1 1   -1   27   27 o  184.402   14.780  433.943   67.486  457.260   86.169  396.951  108.534  188.175   18.580  172.478   26.007 15.69757 31.96223 
1 1 1   -1   27   28 o  247.283   10.341  769.472   63.855  747.168   87.785  794.535   93.055  242.331   14.574  249.788   14.988 -7.457230 20.90544 
1 1 1   -1   27   29 f  205.686   10.116  532.224   51.961  573.672   70.946  484.264   76.316  212.531   13.437  194.536   15.847 17.99535 20.77702 
1 1 1   -1   27   30 o  351.645   12.896  1563.15  113.246  1543.05  157.874  1584.45  162.535  346.782   18.296  351.261   18.596 -4.478699 26.08697 
1 1 1   -1   27   31 o  144.057   9.7455  262.154   34.852  299.305   46.197  213.078   53.096  153.502   12.151  128.187   17.007 25.31496 20.90168 
1 1 1   -1   27   32 o  163.878   9.5168  338.819   38.778  351.071   51.523  322.811   58.895  166.212   12.505  158.716   15.039 7.495850 19.55873 
1 1 1   -1   27   33 o  190.539   10.227  458.478   48.484  498.044   65.352  410.039   72.310  197.860   13.304  178.555   16.400 19.30548 21.11802 
1 1 1   -1   27   34 o  206.347   10.231  536.502   52.718  584.714   71.437  478.846   78.120  214.323   13.415  192.944   16.368 21.37897 21.16323 
1 1 1   -1   27   35 o  124.681   12.170  198.607   37.409  171.841   59.486  216.117   48.113  113.081   21.857  129.332   15.186 -16.25098 26.61448 
1 1 1   -1   27   36 f  168.445   12.264  361.658   51.232  423.807   85.220  326.484   64.111  179.864   19.274  158.706   16.414 21.15808 25.31563 
1 1 1   -1   27   37 o  200.036   12.422  510.439   61.745  572.438  104.017  476.705   76.725  208.362   20.247  191.880   16.163 16.48259 25.90685 
1 1 1   -1   27   38 o  149.009   11.782  283.893   43.482  281.134   73.697  285.367   53.855  144.722   21.006  148.435   14.723 -3.712433 25.65195 
1 1 1   -1   27   39 o  147.260   11.831  277.943   43.139  265.196   74.949  284.257   52.753  139.429   22.276  148.010   14.457 -8.580505 26.55607 
1 1 1   -1   27   40 o  272.094   15.856  965.188  107.267  953.032  154.447  976.515  149.091  263.657   23.712  268.102   22.476 -4.444946 32.67152 
1 1 1   -1   27   41 o  214.523   14.661  599.423   78.069  575.615  115.270  619.597  106.109  204.221   23.004  214.349   20.057 -10.12784 30.51946 
1 1 1   -1   27   42 o  112.430   15.063  167.401   41.228  155.905   69.400  173.671   51.252  102.782   26.772  112.821   18.857 -10.03876 32.74686 
1 1 1   -1   27   43 f  118.367   13.131  183.305   38.159   0.0000   0.0000  183.305   38.159  ?   ?   118.367   13.131 0.000000 13.13080 
1 1 1   -1   28    1 o  136.475   11.242  237.776   37.973  262.484   68.332  226.736   45.675  140.276   20.080  132.441   14.024 7.834854 24.49203 
1 1 1   -1   28    2 o  297.446   13.117  1127.70   97.427  1188.95  170.459  1097.99  118.732  298.406   23.054  291.428   16.381 6.977692 28.28118 
1 1 1   -1   28    3 o  284.483   12.993  1030.43   92.300  1094.88  161.581  999.209  112.453  286.841   22.744  278.193   16.258 8.648041 27.95761 
1 1 1   -1   28    4 o  166.211   13.663  354.425   56.209  482.474   80.554  232.911   78.471  192.819   16.900  130.236   25.038 62.58322 30.20766 
1 1 1   -1   28    5 o  182.460   9.6973  421.109   44.026  596.753   71.064  311.706   56.085  216.173   13.228  155.556   14.609 60.61717 19.70813 
1 1 1   -1   28    6 o  466.887   15.268  2789.36  178.012  3045.42  255.499  2547.81  248.156  482.440   21.208  439.330   22.697 43.11044 31.06327 
1 1 1   -1   28    7 o  168.915   9.9145  361.081   41.637  407.594   66.317  330.814   53.496  178.006   15.060  160.741   13.451 17.26456 20.19253 
1 1 1   -1   28    8 o  347.344   13.030  1532.20  113.019  1466.47  163.096  1592.92  156.758  335.804   19.534  351.111   17.938 -15.30759 26.52086 
1 1 1   -1   28    9 o   97.288   16.181  124.191   37.930  -7.7648   83.975  158.012   42.514   63.348   27.761  110.080   15.929 -46.73256 32.00628 
1 1 1   -1   28   10 o  337.261   12.776  1442.45  107.602  1453.30  155.302  1432.42  149.224  335.168   18.629  333.127   18.005 2.041534 25.90771 
1 1 1   -1   28   11 o  170.712   9.6936  368.222   41.153  382.856   63.254  357.482   54.190  172.749   14.806  167.388   13.068 5.360550 19.74803 
1 1 1   -1   28   12 f  136.618   9.4968  236.071   32.198  240.899   51.052  232.883   41.490  136.671   15.217  135.070   12.441 1.601379 19.65520 
1 1 1   -1   28   13 o  213.986   10.180  577.043   54.398  602.472   80.181  555.358   74.045  217.038   14.884  208.531   14.306 8.507233 20.64412 
1 1 1   -1   28   14 o  209.930   10.301  555.398   53.999  555.608   79.326  555.217   73.716  208.266   15.361  208.562   14.239 -0.2962189 20.94540 
1 1 1   -1   28   15 o  119.115   14.614  182.958   42.558  214.755   58.411  146.979   62.134  127.963   18.844  103.921   24.366 24.04214 30.80220 
1 1 1   -1   28   16 f  230.342   10.354  668.513   59.559  680.112   86.360  657.991   82.248  230.707   15.073  227.075   14.582 3.631622 20.97182 
1 1 1   -1   28   17 o  185.775   10.159  435.904   46.950  455.359   68.446  418.616   64.522  188.747   14.636  180.997   14.394 7.750107 20.52819 
1 1 1   -1   28   18 o  267.554   11.009  902.762   73.554  944.731  105.128  862.515  102.948  271.949   15.545  259.652   15.955 12.29776 22.27528 
1 1 1   -1   28   19 o  431.062   14.718  2361.08  158.428  2301.40  224.284  2420.52  223.819  421.043   21.402  432.786   20.710 -11.74237 29.78139 
1 1 1   -1   28   20 o  395.375   14.177  1983.48  139.973  1917.25  198.175  2049.42  197.730  384.758   20.702  398.845   19.853 -14.08685 28.68270 
1 1 1   -1   28   21 o  210.469   15.430  566.437   80.534  396.990  119.233  708.594  109.210  170.761   28.999  234.241   18.829 -63.47998 34.57551 
1 1 1   -1   28   22 o  125.654   11.339  200.710   35.197  157.533   45.997  261.712   54.672  109.782   17.355  142.612   15.607 -32.82962 23.34022 
1 1 1   -1   28   23 o  311.322   12.234  1224.34   95.108  1300.95  134.136  1146.89  134.873  318.820   16.908  298.728   18.166 20.09210 24.81756 
1 1 1   -1   28   24 o  161.919   9.5702  330.818   38.525  322.916   53.640  339.236   55.365  159.111   13.632  163.087   13.722 -3.975967 19.34213 
1 1 1   -1   28   25 o  264.105   10.447  878.295   68.902  911.107   96.131  843.631   98.808  267.602   14.439  257.121   15.461 10.48077 21.15447 
1 1 1   -1   28   26 o  413.907   14.091  2172.05  145.650  2243.62  204.984  2099.07  206.989  417.686   19.653  402.932   20.641 14.75360 28.50029 
1 1 1   -1   28   27 o  310.238   11.626  1214.39   90.072  1110.67  125.458  1324.73  129.396  294.438   17.137  322.500   16.067 -28.06241 23.49116 
1 1 1   -1   28   28 o  332.554   17.554  1417.85  145.260  1343.00  197.105  1506.83  214.902  319.457   24.905  337.953   25.656 -18.49619 35.75569 
1 1 1   -1   28   29 o  126.652   15.703  207.111   48.600  222.702   56.395  162.117   95.806  130.837   17.716  108.380   32.682 22.45744 37.17535 
1 1 1   -1   28   30 o  239.637   10.584  723.484   63.335  743.724   86.670  700.291   92.780  241.631   14.430  233.921   15.979 7.710709 21.52971 
1 1 1   -1   28   31 o  174.507   9.6214  384.283   41.766  379.548   55.518  390.458   63.394  172.685   12.969  174.706   14.666 -2.021545 19.57816 
1 1 1   -1   28   32 o  111.694   10.105  158.389   27.879  148.747   36.269  172.314   43.585  107.422   13.842  115.312   15.531 -7.890442 20.80442 
1 1 1   -1   28   33 o  164.093   9.7179  340.256   39.644  317.850   52.396  370.257   60.631  157.715   13.432  170.024   14.416 -12.30832 19.70354 
1 1 1   -1   28   34 o  307.822   13.274  1203.54  102.036  1151.04  124.939  1308.70  176.810  299.080   16.797  315.254   22.609 -16.17429 28.16586 
1 1 1   -1   28   35 o   45.107   13.104   26.406   15.637   17.779   18.999   44.521   27.530   40.579   14.642   58.368   17.501 -17.78911 22.81826 
1 1 1   -1   28   36 o  138.193   11.631  243.893   39.765  188.505   62.763  281.036   51.397  117.866   22.137  147.671   14.109 -29.80559 26.25069 
1 1 1   -1   28   37 o  111.130   11.825  158.691   32.312  135.395   51.015  174.296   41.755   99.581   21.167  115.644   14.798 -16.06325 25.82701 
1 1 1   -1   28   38 o  148.801   12.055  284.038   44.408  236.135   72.117  313.296   56.361  131.125   22.855  155.348   14.704 -24.22208 27.17641 
1 1 1   -1   28   39 o   91.968   13.175  110.575   29.393   51.814   48.906  143.801   36.775   65.202   23.497  104.674   14.455 -39.47132 27.58731 
1 1 1   -1   28   40 o  127.585   13.356  211.814   41.922  179.053   62.552  238.526   56.483  112.886   22.971  133.722   17.322 -20.83625 28.77012 
1 1 1   -1   28   41 o  218.090   14.508  620.875   78.559  564.069  113.158  673.726  109.148  201.496   22.895  223.154   19.792 -21.65807 30.26431 
1 1 1   -1   28   42 o  113.050   18.906  175.202   51.487   0.0000   0.0000  175.202   51.487  ?   ?   113.050   18.906 0.000000 18.90573 
1 1 1   -1   29    1 o  186.610   18.763  460.336   86.251   0.0000   0.0000  460.336   86.251  ?   ?   186.610   18.763 0.000000 18.76320 
1 1 1   -1   29    2 o  240.650   12.277  739.668   73.533  824.516  129.794  699.562   89.236  248.847   21.085  232.500   15.458 16.34729 26.14418 
1 1 1   -1   29    3 o  335.526   14.359  1443.32  120.308  1424.89  209.701  1452.36  146.885  322.894   26.234  333.929   17.678 -11.03555 31.63403 
1 1 1   -1   29    4 o  164.357   11.100  343.961   45.289  279.158   82.202  372.205   54.268  143.000   23.860  170.452   12.844 -27.45280 27.09750 
1 1 1   -1   29    5 o  159.087   13.998  325.771   55.044  443.069   79.211  216.237   76.545  184.303   17.417  124.956   25.396 59.34729 30.79513 
1 1 1   -1   29    6 o  290.100   11.508  1067.03   83.367  1180.07  126.252  979.628  111.011  302.070   16.804  275.479   16.208 26.59030 23.34681 
1 1 1   -1   29    7 o  171.247   10.582  372.153   45.031  369.774   72.361  373.657   57.529  168.402   17.461  170.704   13.609 -2.301987 22.13762 
1 1 1   -1   29    8 o  349.685   13.761  1558.55  120.169  1360.02  173.838  1740.25  166.302  321.124   21.807  366.745   18.159 -45.62131 28.37771 
1 1 1   -1   29    9 o  428.682   14.373  2345.21  153.863  2476.35  221.513  2222.95  213.878  435.794   20.355  412.014   20.855 23.78055 29.14224 
1 1 1   -1   29   10 o  386.675   13.817  1904.01  133.414  1882.90  192.020  1923.71  185.501  379.772   20.321  384.635   19.375 -4.862579 28.07747 
1 1 1   -1   29   11 o  172.028   15.668  381.599   66.568  232.953  112.438  461.819   82.600  126.804   34.562  188.568   17.750 -61.76388 38.85382 
1 1 1   -1   29   12 o   75.720   11.921   74.283   21.796   80.389   41.130   71.898   25.702   77.259   20.840   73.912   14.443 3.347015 25.35522 
1 1 1   -1   29   13 o  290.208   11.752  1065.71   85.165  1068.74  123.420  1062.96  117.667  287.958   17.243  287.577   16.454 0.3818359 23.83345 
1 1 1   -1   29   14 o  175.045   9.5004  386.977   41.373  418.124   63.338  363.797   54.640  180.758   14.145  168.846   13.061 11.91273 19.25225 
1 1 1   -1   29   15 o  133.858   8.8482  226.322   29.410  305.667   47.810  178.020   37.303  154.863   12.468  117.825   12.888 37.03741 17.93226 
1 1 1   -1   29   16 o  164.232   14.157  345.357   57.492  382.504   79.640  304.929   83.082  171.292   18.935  151.311   22.687 19.98106 29.55069 
1 1 1   -1   29   17 o  204.892   11.438  531.947   58.288  553.270  101.939  521.589   71.049  205.919   20.080  202.095   14.168 3.824173 24.57484 
1 1 1   -1   29   18 o  229.266   10.011  662.138   57.312  689.660   83.199  637.285   79.062  232.466   14.403  223.487   14.241 8.979294 20.25448 
1 1 1   -1   29   19 o  369.439   13.361  1730.79  123.267  1772.45  175.223  1689.97  173.443  370.517   19.002  361.597   19.278 8.919464 27.06836 
1 1 1   -1   29   20 o  330.935   12.772  1386.72  105.551  1415.49  150.229  1358.68  148.334  331.517   18.217  324.696   18.369 6.821533 25.87046 
1 1 1   -1   29   21 o  282.674   11.556  1009.09   81.575  993.089  115.826  1024.84  114.908  278.234   16.748  282.842   16.338 -4.607758 23.39770 
1 1 1   -1   29   22 o  140.660   10.615  250.771   37.011  263.917   53.614  238.802   51.157  143.228   15.223  136.144   15.313 7.083954 21.59243 
1 1 1   -1   29   23 o  246.800   14.467  776.420   88.768  808.991  130.975  748.747  120.725  249.043   21.264  239.970   20.337 9.073303 29.42390 
1 1 1   -1   29   24 o  308.769   12.209  1205.26   94.137  1304.92  132.950  1105.07  133.310  319.146   16.740  292.882   18.319 26.26410 24.81600 
1 1 1   -1   29   25 o  168.395   9.4877  357.833   39.735  381.816   55.613  332.824   56.792  173.195   12.952  161.306   14.245 11.88889 19.25325 
1 1 1   -1   29   26 o  277.424   11.473  971.570   79.481  980.317  111.004  962.367  113.858  276.760   16.131  273.958   16.723 2.802338 23.23521 
1 1 1   -1   29   27 o  139.026   9.6604  244.369   33.330  254.732   46.113  233.033   48.230  141.205   13.232  134.672   14.574 6.533081 19.68438 
1 1 1   -1   29   28 o  310.153   11.883  1215.49   92.038  1247.94  128.271  1181.04  132.139  312.145   16.515  303.158   17.529 8.987183 24.08353 
1 1 1   -1   29   29 o  117.040   10.071  173.772   29.148  134.466   39.228  222.226   43.554  101.510   16.006  131.738   13.427 -30.22873 20.89176 
1 1 1   -1   29   30 o  121.190   16.617  191.070   48.963  233.043   56.661   67.315   97.294  133.817   17.365   82.987   32.424 50.83068 36.78126 
1 1 1   -1   29   31 o   99.363   10.243  125.742   25.051  126.735   33.220  124.433   38.142   98.979   13.817   97.439   16.247 1.539986 21.32812 
1 1 1   -1   29   32 o  183.405   10.076  425.366   45.972  454.724   61.520  388.240   69.182  188.834   13.128  173.462   16.157 15.37190 20.81811 
1 1 1   -1   29   33 o  209.447   10.562  555.414   55.066  592.968   73.807  508.263   82.700  215.398   13.794  198.207   16.869 17.19009 21.79063 
1 1 1   -1   29   34 o  104.518   9.6706  138.968   24.954  126.604   32.117  157.802   39.640   98.872   13.349  110.167   14.782 -11.29540 19.91736 
1 1 1   -1   29   35 o  161.813   9.7821  331.932   39.341  347.237   51.878  311.219   60.352  164.674   12.714  154.778   15.838 9.895691 20.30960 
1 1 1   -1   29   36 o   81.850   10.180   86.064   20.357   70.665   25.441  113.476   33.942   73.013   14.465   92.810   15.169 -19.79745 20.96059 
1 1 1   -1   29   37 o  296.036   14.453  1128.27  106.843  1352.74  181.169  1008.56  132.299  316.180   23.106  276.086   19.311 40.09372 30.11288 
1 1 1   -1   29   38 o  223.016   13.185  640.796   73.102  698.303  122.133  608.693   91.252  226.964   21.818  215.076   17.132 11.88794 27.74050 
1 1 1   -1   29   39 o   69.530   15.067   65.066   25.405   20.142   39.609   96.466   33.114   50.827   20.419   84.635   16.259 -33.80786 26.10134 
1 1 1   -1   29   40 o  116.516   11.857  175.874   34.019  168.331   55.447  180.427   43.081  109.982   20.954  116.747   15.133 -6.765121 25.84710 
1 1 1   -1   29   41 f   90.750   14.302  109.560   31.338   63.733   45.491  150.951   43.233   68.322   22.764  105.666   16.958 -37.34397 28.38614 
1 1 1   -1   29   42 o  185.007   19.447  467.843   88.498   0.0000   0.0000  467.843   88.498  ?   ?   185.007   19.447 0.000000 19.44662 
1 1 1   -1   30    1 o  381.919   15.788  1896.10  150.573  1754.24  261.447  1966.50  184.187  348.562   30.339  385.389   19.139 -36.82672 35.87137 
1 1 1   -1   30    2 o  206.119   13.763  548.255   70.434  610.501  106.602  500.029   93.832  213.675   20.219  193.564   19.686 20.11072 28.21959 
1 1 1   -1   30    3 o  213.781   14.945  591.979   79.280   0.0000   0.0000  591.979   79.280  ?   ?   213.781   14.945 0.000000 14.94458 
1 1 1   -1   30    4 o  206.039   11.772  542.048   60.319  548.919  108.158  538.947   72.670  202.102   21.774  204.367   14.330 -2.264847 26.06686 
1 1 1   -1   30    5 o   67.596   14.525   60.791   23.788  123.831   52.985   44.877   26.622   94.590   22.717   58.230   17.150 36.35921 28.46410 
1 1 1   -1   30    6 o   91.194   12.578  107.830   27.882   88.311   58.092  113.673   31.782   80.664   25.643   93.258   14.086 -12.59375 29.25707 
1 1 1   -1   30    7 o   98.789   16.903  129.363   40.200   68.806   57.462  187.410   56.259   73.676   25.564  118.294   19.740 -44.61800 32.29896 
1 1 1   -1   30    8 o  328.030   12.399  1368.61  101.569  1352.09  150.261  1382.51  137.824  321.775   18.782  326.710   16.951 -4.935303 25.30029 
1 1 1   -1   30    9 o  187.012   10.593  443.800   49.264  422.108   79.367  457.397   62.835  179.709   17.925  188.964   13.403 -9.255371 22.38150 
1 1 1   -1   30   10 o  329.636   12.537  1381.11  103.199  1351.40  151.258  1407.00  141.155  321.991   18.894  329.749   17.202 -7.757568 25.55173 
1 1 1   -1   30   11 o  163.818   10.685  340.716   43.471  293.163   69.337  371.511   55.798  149.192   19.046  170.363   13.219 -21.17012 23.18373 
1 1 1   -1   30   12 o  124.755   11.327  198.578   34.902  143.415   58.131  229.671   43.643  102.358   23.269  133.743   13.242 -31.38469 26.77322 
1 1 1   -1   30   13 o  247.144   16.309  787.233  100.087  712.758  157.344  837.847  129.712  228.214   28.210  252.611   20.746 -24.39738 35.01716 
1 1 1   -1   30   14 o  187.264   10.768  444.527   50.142  407.793   76.125  472.676   66.639  177.179   17.431  192.151   13.984 -14.97192 22.34699 
1 1 1   -1   30   15 o  262.569   11.521  872.417   75.540  824.331  110.262  914.948  103.698  252.448   17.601  266.987   15.622 -14.53934 23.53342 
1 1 1   -1   30   16 o  174.739   10.863  387.154   47.165  334.398   71.035  428.752   63.076  160.150   18.078  183.056   13.902 -22.90533 22.80580 
1 1 1   -1   30   17 o  322.577   12.202  1318.18   98.293  1343.91  141.181  1293.97  136.930  322.792   17.581  316.841   17.373 5.951141 24.71639 
1 1 1   -1   30   18 o  216.725   15.070  601.975   81.054  636.357  111.257  563.087  118.324  220.536   20.434  205.876   23.433 14.66046 31.09121 
1 1 1   -1   30   19 o  318.096   13.310  1284.66  105.726  1096.51  150.746  1466.80  148.320  289.684   20.981  337.360   17.667 -47.67633 27.42863 
1 1 1   -1   30   20 o  225.467   12.238  645.454   68.648  690.682  119.658  623.265   83.813  229.601   21.106  220.513   15.315 9.088287 26.07740 
1 1 1   -1   30   21 o  273.811   12.690  950.099   86.771  962.417  108.903  928.684  143.595  273.967   15.988  266.146   21.797 7.821686 27.03159 
1 1 1   -1   30   22 o  209.199   10.348  551.823   54.058  583.989   77.819  521.826   75.150  213.686   14.672  201.826   15.018 11.86069 20.99577 
1 1 1   -1   30   23 o  433.472   15.038  2394.65  162.777  2630.96  230.713  2160.43  229.693  450.444   20.511  405.912   22.752 44.53107 30.63239 
1 1 1   -1   30   24 o  285.117   11.233  1026.69   79.980  1041.38  112.501  1011.69  113.727  285.129   15.863  280.832   16.287 4.296783 22.73521 
1 1 1   -1   30   25 o  118.614   13.947  181.094   40.522  131.260   70.363  205.825   49.567   97.697   27.615  125.956   16.129 -28.25845 31.98004 
1 1 1   -1   30   26 o  137.954   10.411  241.298   35.603  225.305   50.320  257.331   50.381  132.027   15.561  141.521   14.459 -9.493851 21.24191 
1 1 1   -1   30   27 o  177.631   10.441  399.255   46.111  407.569   64.172  390.381   66.301  178.386   14.532  174.293   15.391 4.092606 21.16775 
1 1 1   -1   30   28 o  184.004   10.095  428.028   46.210  462.066   63.308  389.212   67.605  190.326   13.406  173.886   15.740 16.44046 20.67497 
1 1 1   -1   30   29 o  139.448   9.5036  246.015   32.897  265.316   45.241  224.361   47.920  144.124   12.700  131.891   14.805 12.23277 19.50630 
1 1 1   -1   30   30 o  114.087   9.9777  165.343   28.140  174.218   38.576  155.249   41.141  116.324   13.533  109.193   15.525 7.131378 20.59529 
1 1 1   -1   30   31 o  229.576   16.125  679.026   91.855  697.676  115.972  647.631  150.467  230.654   20.343  217.387   28.396 13.26715 34.93110 
1 1 1   -1   30   32 o   77.374   18.259   80.466   34.711   82.703   37.137   64.999   97.653   78.302   19.151   81.578   32.295 -3.275436 37.54630 
1 1 1   -1   30   33 o  340.646   12.925  1477.97  109.949  1464.97  152.299  1492.12  158.892  335.444   18.250  338.050   18.898 -2.605896 26.27157 
1 1 1   -1   30   34 o  136.089   9.7408  235.249   32.884  229.191   43.181  243.614   50.738  133.393   13.134  136.912   15.091 -3.518982 20.00560 
1 1 1   -1   30   35 o  123.663   9.9495  194.816   30.465  181.553   39.652  213.926   47.597  118.303   13.674  128.012   15.186 -9.708443 20.43462 
1 1 1   -1   30   36 o  124.489   9.7555  197.502   30.085  170.146   38.632  239.657   47.956  114.302   13.815  135.703   14.370 -21.40089 19.93369 
1 1 1   -1   30   37 o  227.799   10.847  660.893   61.706  715.615   83.746  595.896   91.270  234.935   14.343  212.489   17.352 22.44588 22.51279 
1 1 1   -1   30   38 o  121.318   12.633  191.081   37.709  147.332   59.968  219.695   48.498  101.517   24.029  129.054   15.350 -27.53712 28.51303 
1 1 1   -1   30   39 f  134.320   11.786  233.234   39.132  251.212   62.612  221.709   50.129  135.954   18.958  129.173   15.875 6.781143 24.72679 
1 1 1   -1   30   40 o  150.375   12.571  293.898   46.773  341.424   76.406  265.414   59.152  157.808   19.826  140.473   17.223 17.33517 26.26263 
1 1 1   -1   30   41 o   99.588   19.090  137.764   45.748   0.0000   0.0000  137.764   45.748  ?   ?    99.588   19.090 0.000000 19.09030 
1 1 1   -1   31    1 o   77.126   14.751   79.821   27.374  127.590   55.973   64.803   31.383   94.096   23.803   68.559   18.074 25.53728 29.88763 
1 1 1   -1   31    2 o   88.986   13.938  104.624   29.955  106.215   60.088  104.098   34.554   85.882   25.879   87.913   16.341 -2.031113 30.60682 
1 1 1   -1   31    3 o  213.390   12.136  584.885   64.403  410.606  113.878  666.838   78.091  168.801   27.997  226.955   13.845 -58.15434 31.23294 
1 1 1   -1   31    4 o  173.251   18.549  399.570   79.004   0.0000   0.0000  399.570   79.004  ?   ?   173.251   18.549 0.000000 18.54914 
1 1 1   -1   31    5 o   84.256   14.217   93.677   28.848   50.516   59.551  106.912   32.976   67.477   25.623   89.813   15.248 -22.33659 29.81704 
1 1 1   -1   31    6 o  101.963   12.794  134.863   31.859   43.537   62.068  167.533   37.123   66.251   25.894  113.635   13.336 -47.38441 29.12616 
1 1 1   -1   31    7 o   92.940   12.645  112.166   28.586   63.781   55.521  129.620   33.346   71.209   25.102   99.698   13.761 -28.48904 28.62622 
1 1 1   -1   31    8 o  108.889   11.107  152.012   29.779  229.812   58.119  124.314   34.678  131.672   18.159   97.358   14.723 34.31401 23.37762 
1 1 1   -1   31    9 o  253.949   15.777  834.518   99.553  622.751  140.681  1046.94  140.898  212.008   27.200  281.496   20.178 -69.48849 33.86695 
1 1 1   -1   31   10 o  110.547   11.720  156.902   31.861   81.967   58.052  189.202   38.114   78.393   25.696  121.210   12.785 -42.81674 28.70088 
1 1 1   -1   31   11 f  206.376   10.744  540.793   55.177  539.136   87.354  541.893   71.172  203.371   17.367  205.421   13.957 -2.050079 22.28048 
1 1 1   -1   31   12 o  159.249   10.236  321.912   40.492  324.526   66.921  320.402   50.858  157.565   17.292  158.089   12.998 -0.5238342 21.63264 
1 1 1   -1   31   13 o  146.927   10.867  274.703   39.588  244.768   64.898  292.443   49.960  135.735   19.724  150.904   13.397 -15.16945 23.84346 
1 1 1   -1   31   14 o  117.136   17.387  180.643   49.315 -91.1607  112.403  245.434   54.879   61.443   28.847  137.246   16.333 -75.80318 33.14960 
1 1 1   -1   31   15 o   98.187   12.446  124.299   29.832  104.651   52.394  133.724   36.289   87.355   23.503  101.274   14.785 -13.91925 27.76671 
1 1 1   -1   31   16 o  336.201   13.005  1437.49  109.186  1450.04  157.566  1425.91  151.441  333.771   18.983  331.401   18.371 2.370270 26.41696 
1 1 1   -1   31   17 o  163.256   10.419  337.990   42.254  359.669   65.741  322.730   55.156  166.742   15.984  158.502   14.082 8.239960 21.30236 
1 1 1   -1   31   18 o  196.357   9.9208  487.631   48.488  538.821   73.139  447.489   64.767  205.032   14.376  186.897   13.978 18.13451 20.05139 
1 1 1   -1   31   19 o  208.081   11.662  549.935   60.356  663.222  107.819  498.233   72.838  225.376   19.345  196.956   14.920 28.42004 24.43020 
1 1 1   -1   31   20 f  102.448   22.972  143.065   57.320  143.065   57.320   0.0000   0.0000  102.448   22.972  ?   ?  0.000000 22.97224 
1 1 1   -1   31   21 o  120.733   11.154  185.816   33.248  141.391   51.793  216.955   43.361  102.463   20.949  129.938   13.563 -27.47533 24.95628 
1 1 1   -1   31   22 o  304.203   12.270  1173.06   93.211  1246.79  132.787  1101.44  130.873  310.961   17.167  291.730   18.053 19.23083 24.91217 
1 1 1   -1   31   23 o  239.745   11.041  726.473   66.101  805.366   94.703  651.524   92.306  250.642   15.203  224.787   16.561 25.85532 22.48047 
1 1 1   -1   31   24 o  133.917   10.261  227.573   34.053  288.226   50.719  177.791   45.950  149.937   13.697  116.778   16.193 33.15875 21.20888 
1 1 1   -1   31   25 o  232.170   11.678  683.944   67.492  764.765   95.893  604.606   95.009  243.946   15.827  215.972   17.774 27.97400 23.79940 
1 1 1   -1   31   26 o   88.526   15.092  102.717   32.167   69.123   69.432  111.897   36.297   76.716   27.943   92.144   16.374 -15.42831 32.38745 
1 1 1   -1   31   27 o  247.450   13.989  782.395   86.085  922.625  131.549  677.369  113.845  265.725   19.971  227.332   20.267 38.39357 28.45292 
1 1 1   -1   31   28 o  183.673   10.961  428.076   50.044  429.715   69.732  426.335   71.862  182.608   15.436  181.674   16.003 0.9336700 22.23500 
1 1 1   -1   31   29 o  139.771   10.506  248.238   36.403  262.008   50.758  233.655   52.235  142.542   14.460  134.076   15.912 8.465851 21.50074 
1 1 1   -1   31   30 o   92.572   10.627  109.757   24.121  103.913   34.713  115.214   33.542   88.596   16.290   93.824   14.807 -5.227913 22.01440 
1 1 1   -1   31   31 o  134.966   9.3338  230.933   31.265  245.951   42.750  213.664   45.842  138.499   12.495  128.399   14.554 10.09961 19.18216 
1 1 1   -1   31   32 f   94.075   11.171  113.802   25.731  105.056   35.558  123.416   37.281   88.822   16.643   96.655   16.006 -7.833382 23.09047 
1 1 1   -1   31   33 o  128.678   15.697  216.712   49.394  208.896   54.793  250.612  114.110  125.413   18.013  128.732   34.706 -3.318855 39.10213 
1 1 1   -1   31   34 o  207.840   17.061  566.461   87.768  666.135  109.122  383.838  147.706  223.732   19.734  156.328   38.168 67.40399 42.96782 
1 1 1   -1   31   35 o  133.690   10.536  228.568   34.889  170.566   45.826  308.546   53.811  113.263   16.704  154.096   14.142 -40.83331 21.88612 
1 1 1   -1   31   36 f  137.530   9.9417  241.528   33.914  184.065   44.390  322.097   52.562  118.057   15.426  157.544   13.491 -39.48631 20.49264 
1 1 1   -1   31   37 f  231.074   10.879  682.091   62.774  710.981   84.949  647.339   93.171  233.384   14.650  220.992   17.014 12.39185 22.45233 
1 1 1   -1   31   38 o  122.384   10.056  192.201   30.460  194.050   39.676  189.546   47.536  121.788   13.260  118.938   16.445 2.850441 21.12513 
1 1 1   -1   31   39 o  139.912   12.298  254.501   42.530  215.719   68.644  278.664   54.183  122.743   23.246  144.991   15.190 -22.24723 27.76942 
1 1 1   -1   31   40 o   94.314   17.708  122.468   40.175   0.0000   0.0000  122.468   40.175  ?   ?    94.314   17.708 0.000000 17.70844 
1 1 1   -1   32    1 o  122.860   17.405  206.503   51.907  216.766   71.246  194.892   75.779  121.150   24.394  112.530   27.256 8.620415 36.57761 
1 1 1   -1   32    2 o  142.798   11.957  264.967   42.247  244.334   78.686  273.324   50.076  128.858   25.356  143.967   14.110 -15.10927 29.01791 
1 1 1   -1   32    3 o   71.227   16.083   69.302   27.930   40.108   59.390   77.591   31.648   63.070   25.117   75.071   17.245 -12.00065 30.46698 
1 1 1   -1   32    4 o   60.238   16.174   49.344   24.841   47.685   54.475   49.780   27.913   64.396   24.494   60.503   17.488 3.892540 30.09619 
1 1 1   -1   32    5 o  164.488   11.821  348.337   48.232  349.435   89.489  347.887   57.260  158.204   23.354  163.314   14.181 -5.110291 27.32234 
1 1 1   -1   32    6 o  141.426   18.044  267.515   62.274   0.0000   0.0000  267.515   62.274  ?   ?   141.426   18.044 0.000000 18.04418 
1 1 1   -1   32    7 o  224.041   13.459  647.763   74.952  354.022  133.404  783.259   90.604  150.574   35.972  245.586   14.844 -95.01225 38.91387 
1 1 1   -1   32    8 o  184.810   12.091  438.073   55.494  238.907   91.617  553.493   69.744  127.823   29.325  207.139   13.558 -79.31684 32.30792 
1 1 1   -1   32    9 o  335.469   13.160  1442.11  110.244  1289.81  165.232  1564.31  148.005  310.149   21.466  346.341   17.113 -36.19180 27.45250 
1 1 1   -1   32   10 o  111.785   17.729  166.568   47.837  120.091   68.591  210.583   66.751   91.954   27.637  123.885   22.401 -31.93149 35.57530 
1 1 1   -1   32   11 o  254.002   11.390  820.255   72.243  773.995  113.624  851.646   93.598  242.319   18.928  256.938   14.648 -14.61870 23.93381 
1 1 1   -1   32   12 o  121.235   11.964  188.789   35.747  144.006   63.648  209.424   43.204  101.214   25.262  127.176   13.827 -25.96133 28.79855 
1 1 1   -1   32   13 o  202.811   10.997  523.236   55.488  488.164   88.242  546.173   71.362  192.617   18.576  206.079   13.949 -13.46155 23.23017 
1 1 1   -1   32   14 o  328.467   13.046  1376.61  107.008  1296.44  157.254  1445.74  146.032  313.563   20.190  333.285   17.609 -19.72278 26.79012 
1 1 1   -1   32   15 o  105.547   12.198  143.460   31.559  119.141   55.100  155.333   38.500   92.741   23.703  109.237   14.470 -16.49646 27.77010 
1 1 1   -1   32   16 o   69.971   17.084   65.738   29.591 -69.7256  107.315   76.886   30.785   61.943   28.785   75.791   16.715 -13.84840 33.28583 
1 1 1   -1   32   17 o   75.195   14.133   74.498   25.564   42.803   48.846   86.455   30.001   62.707   23.334   80.813   15.429 -18.10643 27.97367 
1 1 1   -1   32   18 o  207.033   15.393  552.936   79.010   0.0000   0.0000  552.936   79.010  ?   ?   207.033   15.393 0.000000 15.39261 
1 1 1   -1   32   19 o   81.466   22.688   90.580   47.863   90.580   47.863   0.0000   0.0000   81.466   22.688  ?   ?  0.000000 22.68764 
1 1 1   -1   32   20 o  105.997   11.630  144.093   30.279  106.817   51.303  164.018   37.509   88.215   23.038  112.653   13.609 -24.43835 26.75754 
1 1 1   -1   32   21 o  162.987   14.083  341.541   56.758  323.734   68.048  382.247  102.888  157.380   17.617  167.435   25.405 -10.05502 30.91567 
1 1 1   -1   32   22 o  288.095   17.407  1075.52  124.641  1131.55  169.937  1010.29  183.367  291.198   23.572  272.078   27.359 19.12000 36.11314 
1 1 1   -1   32   23 o   63.943   14.176   54.181   22.043   75.575   41.860   45.972   25.929   74.841   21.350   58.961   16.797 15.88024 27.16610 
1 1 1   -1   32   24 o  328.360   13.353  1373.71  109.490  1477.22  155.784  1272.66  153.919  336.914   18.588  311.743   19.875 25.16998 27.21298 
1 1 1   -1   32   25 o  158.920   10.074  320.272   39.772  377.367   58.906  272.439   53.917  171.424   13.880  145.092   15.102 26.33246 20.51148 
1 1 1   -1   32   26 o  233.419   10.807  689.650   62.994  738.820   89.402  641.165   88.776  239.659   15.014  222.719   16.070 16.93987 21.99251 
1 1 1   -1   32   27 o  137.497   10.996  240.959   37.441  240.226   54.390  241.619   51.617  135.638   16.390  136.368   15.429 -0.7303925 22.50983 
1 1 1   -1   32   28 o  175.792   13.974  397.560   60.836  395.440  101.132  398.763   76.156  170.363   24.475  174.526   17.720 -4.162735 30.21590 
1 1 1   -1   32   29 o  158.239   10.215  318.169   40.148  319.020   56.604  317.308   56.953  157.050   14.600  156.572   14.740 0.4776154 20.74685 
1 1 1   -1   32   30 o  101.377   11.509  132.242   28.619  106.972   41.428  155.309   39.581   88.772   19.243  108.947   14.942 -20.17525 24.36328 
1 1 1   -1   32   31 o   50.519   13.664   33.832   17.654   33.654   28.476   33.942   22.500   52.507   18.009   51.196   15.915 1.311043 24.03358 
1 1 1   -1   32   32 o  205.165   9.7258  533.302   49.829  578.708   67.608  479.309   73.725  212.235   12.817  191.808   15.525 20.42709 20.13203 
1 1 1   -1   32   33 o  216.686   10.681  597.384   57.796  596.861   78.221  598.014   85.772  214.366   14.701  213.702   16.193 0.6636963 21.87081 
1 1 1   -1   32   34 o  293.683   11.785  1103.65   86.432  1084.76  118.295  1125.28  126.593  287.388   16.553  291.932   17.445 -4.543732 24.04866 
1 1 1   -1   32   35 o   56.960   17.922   43.036   28.436   45.328   29.496   12.856  107.036   58.310   18.238   70.921   31.204 -12.61136 36.14333 
1 1 1   -1   32   36 o  103.093   10.447  136.999   26.523  120.047   35.391  158.719   40.060   94.666   15.508  109.317   15.076 -14.65090 21.62831 
1 1 1   -1   32   37 o  217.913   10.663  607.948   58.027  642.061   78.175  566.093   86.593  221.437   14.212  205.832   16.999 15.60565 22.15757 
1 1 1   -1   32   38 o   82.897   10.604   89.393   21.448   80.371   28.381  101.410   32.752   76.940   15.310   86.481   15.746 -9.541199 21.96206 
1 1 1   -1   32   39 o  121.278   12.492  192.575   37.291  202.698   63.439  187.230   46.096  118.985   22.166  117.827   16.087 1.158043 27.38836 
1 1 1   -1   32   40 o   86.941   17.050  104.358   35.695   0.0000   0.0000  104.358   35.695  ?   ?    86.941   17.050 0.000000 17.05024 
1 1 1   -1   33    1 o   73.830   15.477   75.977   27.622   94.096   58.098   70.685   31.398   77.357   25.723   70.133   17.875 7.223282 31.32414 
1 1 1   -1   33    2 o  205.997   15.732  573.812   80.314  438.526  110.676  724.302  116.729  167.848   27.347  225.059   21.013 -57.21124 34.48742 
1 1 1   -1   33    3 f  155.579   12.176  316.774   46.928  255.406   85.199  343.500   56.225  128.333   27.418  160.781   14.148 -32.44777 30.85286 
1 1 1   -1   33    4 o  260.587   13.229  888.861   85.800  722.038  151.538  967.576  104.093  217.521   28.590  269.586   15.528 -52.06548 32.53488 
1 1 1   -1   33    5 o  163.807   13.106  350.869   53.162  170.376  100.506  420.988   62.643  101.628   33.835  178.871   14.140 -77.24261 36.67044 
1 1 1   -1   33    6 o   67.184   16.031   61.782   26.520 -22.1979   59.167   82.895   29.667   48.746   22.176   78.122   15.751 -29.37601 27.20067 
1 1 1   -1   33    7 o  104.449   18.366  149.117   46.155   0.0000   0.0000  149.117   46.155  ?   ?   104.449   18.366 0.000000 18.36584 
1 1 1   -1   33    8 o   78.759   15.557   83.582   29.512  -8.3600   67.210  105.544   32.848   54.985   24.433   88.815   15.367 -33.82976 28.86358 
1 1 1   -1   33    9 o  128.894   12.007  214.626   38.203  161.278   70.948  236.410   45.337  104.929   26.939  134.683   13.669 -29.75397 30.20841 
1 1 1   -1   33   10 o  112.869   11.836  164.603   32.864  211.907   64.684  148.144   38.155  123.871   21.702  106.004   14.819 17.86726 26.27903 
1 1 1   -1   33   11 o   67.706   15.127   61.598   24.932   69.581   54.661   59.501   28.016   72.576   24.948   66.226   16.888 6.349205 30.12621 
1 1 1   -1   33   12 o  125.781   17.327  210.306   52.979  131.318   73.256  296.917   76.710   95.183   28.551  147.669   21.428 -52.48621 35.69736 
1 1 1   -1   33   13 o  107.063   12.389  148.323   32.511  155.247   61.647  145.655   38.264  105.091   24.015  105.252   14.981 -0.1607513 28.30497 
1 1 1   -1   33   14 o  163.075   11.306  339.940   45.759  338.028   76.620  340.999   57.050  158.964   19.726  162.248   14.224 -3.283905 24.31943 
1 1 1   -1   33   15 o  134.566   11.883  232.428   39.522  182.678   66.888  259.115   48.988  114.386   24.173  141.395   14.061 -27.00809 27.96526 
1 1 1   -1   33   16 o  115.989   12.232  173.325   34.895  112.116   60.969  203.142   42.553   89.294   25.856  125.155   13.848 -35.86095 29.33093 
1 1 1   -1   33   17 o   96.636   15.589  123.260   36.338   0.0000   0.0000  123.260   36.338  ?   ?    96.636   15.589 0.000000 15.58866 
1 1 1   -1   33   18 o  115.344   36.760  201.392  119.324  201.392  119.324   0.0000   0.0000  115.344   36.760  ?   ?  0.000000 36.76019 
1 1 1   -1   33   19 o  270.955   11.940  934.349   80.788  951.555  118.826  919.558  110.168  269.877   17.730  265.965   16.672 3.912476 24.33752 
1 1 1   -1   33   20 o  262.877   11.688  878.616   76.728  866.095  112.303  889.577  105.076  257.582   17.564  261.943   16.142 -4.361511 23.85519 
1 1 1   -1   33   21 o   94.794   12.028  116.067   27.832  119.529   49.774  114.492   33.571   93.232   21.773   93.332   14.906 -0.9950256E-01 26.38640 
1 1 1   -1   33   22 o  126.505   10.758  204.286   33.662  244.001   55.701  181.437   42.250  136.383   16.704  118.050   14.647 18.33374 22.21606 
1 1 1   -1   33   23 o   79.475   22.438   86.682   46.482   79.458   53.274  109.717   95.135   76.838   24.570   90.896   32.770 -14.05779 40.95807 
1 1 1   -1   33   24 o  168.335   11.491  361.700   48.015  368.868   72.554  356.114   64.047  167.606   17.598  165.487   15.686 2.119614 23.57355 
1 1 1   -1   33   25 o  121.682   11.105  189.478   33.373  199.532   52.578  182.694   43.188  122.722   17.665  118.312   14.952 4.410622 23.14350 
1 1 1   -1   33   26 o  134.934   11.874  233.518   39.603  196.210   59.081  263.961   53.368  120.515   20.357  142.354   15.250 -21.83884 25.43546 
1 1 1   -1   33   27 o   70.111   13.560   65.005   22.881   49.932   39.638   72.539   28.022   62.724   21.249   73.606   15.723 -10.88178 26.43342 
1 1 1   -1   33   28 o   81.282   13.158   86.627   25.795   96.485   41.750   80.539   32.806   83.791   20.191   77.140   17.440 6.650642 26.68015 
1 1 1   -1   33   29 o  124.482   10.040  197.772   30.944  291.520   47.080  126.475   41.058  150.416   12.652   96.997   17.599 53.41953 21.67443 
1 1 1   -1   33   30 f  237.504   16.060  737.362   94.693  645.451  145.064  805.605  124.998  212.852   27.969  244.810   20.639 -31.95728 34.75974 
1 1 1   -1   33   31 o  127.811   10.696  209.414   33.824  216.109   48.300  202.972   47.382  128.122   15.405  124.017   15.648 4.104813 21.95860 
1 1 1   -1   33   32 o  119.090   9.8966  181.471   29.165  196.456   41.933  167.431   40.591  122.537   13.953  112.695   14.780 9.841255 20.32537 
1 1 1   -1   33   33 o   98.306   10.518  124.605   25.420  141.751   36.847  109.034   35.114  103.481   14.670   89.953   16.229 13.52803 21.87687 
1 1 1   -1   33   34 o   79.574   11.784   82.964   22.708   87.198   33.307   79.286   31.040   79.754   17.227   76.124   16.780 3.629944 24.04896 
1 1 1   -1   33   35 o  118.660   10.761  181.745   31.539  176.805   42.978  187.509   46.427  115.142   15.328  118.229   16.147 -3.086235 22.26399 
1 1 1   -1   33   36 o   88.278   17.507  107.396   37.230  108.802   39.144   94.059  120.555   88.508   18.314   85.015   35.070 3.492493 39.56411 
1 1 1   -1   33   37 o  156.994   10.611  317.810   41.357  317.789   55.221  317.838   62.412  154.940   14.439  153.630   16.528 1.309174 21.94656 
1 1 1   -1   33   38 o   85.551   11.155   95.809   23.264   70.564   31.357  126.719   34.697   70.958   17.743   97.062   14.782 -26.10420 23.09395 
1 1 1   -1   33   39 o  179.971   16.389  437.063   72.848   0.0000   0.0000  437.063   72.848  ?   ?   179.971   16.389 0.000000 16.38886 
1 1 1   -1   34    1 o  134.090   12.300  241.786   40.728  176.929   76.309  267.622   48.162   98.505   29.043  139.692   13.995 -41.18674 32.23899 
1 1 1   -1   34    2 o  126.575   12.948  215.808   40.349  141.320   75.586  245.493   47.716   88.765   29.332  133.862   14.507 -45.09666 32.72315 
1 1 1   -1   34    3 o   59.535   17.034   50.665   26.605   38.472   58.475   53.848   29.876   59.360   24.448   61.066   18.214 -1.706127 30.48719 
1 1 1   -1   34    4 o   40.380   18.135  -8.7610   38.086   35.335   54.328 -51.3733   53.406   58.115   23.707   40.250   19.186 17.86584 30.49778 
1 1 1   -1   34    5 o   44.688   16.149   23.951   23.123   80.344   55.000   11.843   25.484   73.200   25.029   40.110   16.285 33.09009 29.86050 
1 1 1   -1   34    6 o  169.734   13.466  380.827   56.607   39.346  102.262  531.690   67.971   70.590   30.792  200.550   13.653 -129.9604 33.68353 
1 1 1   -1   34    7 o   46.404   16.119   26.802   22.847   38.149   56.437   24.578   24.986   60.741   24.383   45.946   16.759 14.79516 29.58714 
1 1 1   -1   34    8 o  108.960   12.777  156.170   34.105  138.027   69.976  161.822   39.058   94.511   27.797  110.132   14.559 -15.62187 31.37856 
1 1 1   -1   34    9 o  103.017   18.508  146.547   45.863   0.0000   0.0000  146.547   45.863  ?   ?   103.017   18.508 0.000000 18.50832 
1 1 1   -1   34   10 o  102.839   13.631  139.569   34.144 -12.5585   69.870  187.296   39.135   54.742   24.576  119.479   13.345 -64.73749 27.96538 
1 1 1   -1   34   11 o   26.957   11.982  -5.1967   16.174   17.384   49.693  -7.8720   17.105   53.735   22.370   26.839   12.095 26.89609 25.42992 
1 1 1   -1   34   12 o   98.948   13.160  128.441   31.711   78.072   61.627  146.580   36.982   75.610   26.461  105.320   14.442 -29.71001 30.14551 
1 1 1   -1   34   13 o  161.226   11.856  334.940   47.399  233.355   80.039  389.809   58.823  126.978   26.114  173.112   13.720 -46.13446 29.49851 
1 1 1   -1   34   14 o  105.664   19.674  153.163   50.003   84.451   67.163  238.614   74.898   78.709   27.620  130.046   23.946 -51.33696 36.55462 
1 1 1   -1   34   15 o   58.688   15.211   46.420   22.475   45.269   51.669   46.688   24.960   63.331   23.911   58.840   16.383 4.490986 28.98496 
1 1 1   -1   34   16 o   72.485   15.913   70.911   28.015   10.222  146.146   73.227   28.544   80.145   35.792   73.663   15.977 6.481163 39.19653 
1 1 1   -1   34   17 o  113.595   18.547  174.074   50.795  223.152   62.532   78.874   87.091  128.089   20.220   80.441   30.881 47.64842 36.91243 
1 1 1   -1   34   18 o   34.375   13.514   9.2221   16.991   6.6745   47.512   9.5957   18.194   50.499   21.494   35.391   13.962 15.10823 25.63037 
1 1 1   -1   34   19 o  111.366   12.647  160.775   34.548  152.540   62.977  164.320   41.320  103.632   24.688  111.716   15.207 -8.084206 28.99515 
1 1 1   -1   34   20 o  153.656   15.556  309.098   58.865  272.463  129.386  318.659   66.103  130.738   37.611  155.182   17.355 -24.44319 41.42243 
1 1 1   -1   34   21 o   55.720   14.996   41.547   21.325   37.184   47.800   42.632   23.828   59.801   22.897   56.493   16.106 3.308731 27.99415 
1 1 1   -1   34   22 o  148.988   11.029  284.074   40.740  257.512   65.018  301.245   52.275  138.385   19.343  152.388   13.890 -14.00374 23.81351 
1 1 1   -1   34   23 o   63.738   15.182   54.637   23.820  -0.4588   46.844   73.852   27.663   48.392   20.977   74.212   15.430 -25.82001 26.04062 
1 1 1   -1   34   24 o   74.668   13.097   73.509   23.530  129.852   45.897   53.420   27.406   97.455   19.540   62.841   17.037 34.61349 25.92398 
1 1 1   -1   34   25 o  123.514   18.843  205.608   56.277  225.367   66.938  157.966  103.939  127.966   21.724  102.211   34.410 25.75550 40.69381 
1 1 1   -1   34   26 o   78.076   14.405   81.087   27.051   41.382   46.277  101.698   33.341   60.622   22.682   87.158   15.905 -26.53654 27.70225 
1 1 1   -1   34   27 o  104.812   11.473  141.932   29.538  142.224   48.112  141.755   37.421  101.849   19.629  103.589   14.894 -1.740097 24.63996 
1 1 1   -1   34   28 o   64.815   14.257   56.387   22.448   59.028   40.588   55.224   26.944   66.263   21.473   63.716   16.723 2.546688 27.21685 
1 1 1   -1   34   29 o   97.580   12.901  124.595   30.665   77.952   46.991  159.191   40.469   74.670   22.965  109.606   15.194 -34.93610 27.53662 
1 1 1   -1   34   30 o  153.786   11.030  303.954   42.078  314.763   60.510  293.832   58.554  154.182   15.946  148.895   15.999 5.287796 22.58881 
1 1 1   -1   34   31 o   56.130   16.121   42.594   23.787 -34.6930   79.359   50.223   24.934   54.854   25.227   60.687   16.164 -5.832806 29.96127 
1 1 1   -1   34   32 o   63.837   15.637   55.653   24.731   80.906   78.559   52.875   26.056   77.832   29.460   62.101   16.515 15.73095 33.77336 
1 1 1   -1   34   33 o   66.670   13.368   59.671   21.481   42.977   33.530   71.294   27.977   57.367   19.543   72.168   15.949 -14.80124 25.22454 
1 1 1   -1   34   34 o  127.395   10.603  209.607   33.426  197.339   47.146  222.005   47.398  121.093   15.981  129.074   14.984 -7.980507 21.90719 
1 1 1   -1   34   35 o  164.072   10.355  346.773   42.210  350.980   57.601  341.894   62.035  162.837   14.310  159.757   15.755 3.079346 21.28393 
1 1 1   -1   34   36 o  142.491   9.9956  261.590   35.342  275.894   48.452  245.327   51.665  144.510   13.586  135.037   15.609 9.472702 20.69331 
1 1 1   -1   34   37 o  127.793   17.307  224.109   53.810  250.308   58.520   80.709  136.910  134.796   17.822   82.218   35.750 52.57832 39.94631 
1 1 1   -1   34   38 o  115.121   40.111  264.523  141.532   0.0000   0.0000  264.523  141.532  ?   ?   115.121   40.111 0.000000 40.11086 
1 1 1   -1   35    1 o   64.966   17.802   64.980   29.736 -36.1522   64.048   92.768   33.573   44.068   21.007   78.100   17.632 -34.03210 27.42591 
1 1 1   -1   35    2 o   46.235   18.318   24.833   31.438   0.0000   0.0000   24.833   31.438  ?   ?    46.235   18.318 0.000000 18.31764 
1 1 1   -1   35    3 o   64.078   16.800   60.603   27.213   46.783   61.032   64.032   30.402   59.717   24.820   65.236   18.051 -5.519444 30.68967 
1 1 1   -1   35    4 o   64.039   17.545   60.492   28.886   43.667   71.747   63.747   31.557   61.531   26.306   65.301   18.506 -3.769814 32.16334 
1 1 1   -1   35    5 o   81.947   16.109   95.315   31.790   15.633   65.272  120.092   36.398   55.146   24.311   92.007   16.445 -36.86135 29.35121 
1 1 1   -1   35    6 o   96.720   21.129  140.490   49.603   72.410   69.490  211.217   70.829   69.815   27.368  115.212   25.310 -45.39617 37.27721 
1 1 1   -1   35    7 o   56.968   17.164   45.795   26.432 -24.6455   60.631   62.323   29.370   47.262   21.848   65.905   17.537 -18.64347 28.01609 
1 1 1   -1   35    8 o  132.337   13.369  233.558   43.574   81.975   82.627  291.954   51.284   74.915   29.691  147.579   14.087 -72.66451 32.86332 
1 1 1   -1   35    9 o   72.744   15.999   73.647   28.272   13.412   62.619   89.070   31.685   55.789   24.218   79.983   16.414 -24.19437 29.25622 
1 1 1   -1   35   10 o   72.031   16.238   72.116   28.511   17.847   62.686   86.270   32.013   57.110   24.507   78.692   16.802 -21.58210 29.71359 
1 1 1   -1   35   11 o  121.082   18.174  202.746   53.254   0.0000   0.0000  202.746   53.254  ?   ?   121.082   18.174 0.000000 18.17362 
1 1 1   -1   35   12 o   95.877   14.460  123.225   33.543 -32.9712   65.084  179.721   39.142   48.922   22.623  116.471   13.721 -67.54929 26.45865 
1 1 1   -1   35   13 o  168.698   11.498  368.513   48.151  385.961   83.516  359.826   58.931  166.477   20.524  165.007   14.447 1.469772 25.09894 
1 1 1   -1   35   14 o   86.257   14.902  100.125   30.939   1.5421   63.141  131.273   35.491   54.691   24.017   99.077   14.799 -44.38599 28.21017 
1 1 1   -1   35   15 o   77.010   27.854   82.572   68.811  231.110  179.797   57.082   74.482  111.081   43.870   70.815   28.151 40.26555 52.12510 
1 1 1   -1   35   16 f   73.397   23.208   76.145   47.631   69.718   60.292   86.816   77.688   72.167   26.077   79.381   29.449 -7.213844 39.33529 
1 1 1   -1   35   17 o   32.810   13.365   6.1319   17.235 -10.3688   48.963   8.4656   18.414   46.541   20.756   34.799   13.942 11.74276 25.00423 
1 1 1   -1   35   18 o   41.142   14.802   19.189   19.401  -6.0653   51.443   23.376   20.948   48.685   21.517   44.175   15.429 4.509659 26.47687 
1 1 1   -1   35   19 f  103.052   12.932  139.096   32.545   81.830   58.470  164.803   39.175   76.431   25.808  111.717   14.376 -35.28658 29.54195 
1 1 1   -1   35   20 o   91.864   13.581  111.414   30.215   80.863   55.944  123.995   35.902   75.959   25.241   96.290   15.453 -20.33057 29.59597 
1 1 1   -1   35   21 o   32.527   13.299   5.6222   17.146 -81.9009  130.967   7.1485   17.295   65.128   30.749   33.396   13.466 31.73154 33.56865 
1 1 1   -1   35   22 o  114.067   13.604  170.678   37.987  127.838   60.733  198.208   48.686   93.508   25.366  121.770   16.430 -28.26147 30.22221 
1 1 1   -1   35   23 o   85.820   12.881   96.956   26.752  113.400   50.839   90.659   31.460   89.032   22.775   81.868   15.962 7.164627 27.81125 
1 1 1   -1   35   24 o   62.717   14.420   53.123   22.113   90.844   46.500   42.100   25.137   79.891   22.403   55.954   16.711 23.93705 27.94870 
1 1 1   -1   35   25 o   66.041   14.282   58.783   22.868   69.840   46.196   55.194   26.319   70.940   22.901   63.524   16.458 7.416214 28.20127 
1 1 1   -1   35   26 o  107.120   12.333  149.694   32.387  148.198   52.931  150.589   40.947  102.504   21.371  105.971   15.969 -3.466751 26.67840 
1 1 1   -1   35   27 o   59.711   21.418   44.602   40.588   51.277   44.341   10.101  100.807   63.111   22.413   67.993   30.082 -4.881790 37.51302 
1 1 1   -1   35   28 o  107.743   12.478  151.841   32.951  134.638   51.560  163.718   42.842   97.140   21.792  110.396   16.007 -13.25632 27.03911 
1 1 1   -1   35   29 o   47.315   14.381   29.647   18.497   24.653   37.390   31.265   21.284   50.948   20.042   48.821   15.522 2.127247 25.35017 
1 1 1   -1   35   30 o   78.873   12.264   82.207   23.370  114.822   40.583   66.024   28.586   90.806   18.524   69.096   16.743 21.71060 24.96936 
1 1 1   -1   35   31 o   72.991   13.211   71.343   23.193   59.768   38.691   77.835   28.977   65.441   20.940   75.321   15.905 -9.879570 26.29567 
1 1 1   -1   35   32 o   66.659   13.820   60.196   22.250   29.554   36.175   78.842   28.219   52.036   19.920   75.918   15.411 -23.88116 25.18604 
1 1 1   -1   35   33 o  121.439   13.775  195.878   41.035  364.047  100.546  162.269   44.949  154.765   26.998  108.660   17.133 46.10493 31.97557 
1 1 1   -1   35   34 o   30.488   12.048   7.2730   13.567  -1.5618   26.392   10.446   15.817   35.902   15.653   33.908   13.122 1.994408 20.42498 
1 1 1   -1   35   35 o  144.891   11.231  273.423   40.319  255.531   56.126  292.503   57.958  136.654   16.801  146.831   16.069 -10.17708 23.24859 
1 1 1   -1   35   36 o  143.194   10.659  266.261   37.840  279.298   52.559  252.230   54.523  144.174   14.809  135.886   16.399 8.287979 22.09617 
1 1 1   -1   35   37 o   59.465   15.880   49.342   24.026   0.0000   0.0000   49.342   24.026  ?   ?    59.465   15.880 0.000000 15.88000 
1 1 1   -1   36    1 o   84.963   16.934  111.257   34.667 -16.2828   71.874  149.923   39.574   47.005   22.364   99.359   16.531 -52.35421 27.81060 
1 1 1   -1   36    2 o   37.118   15.500   10.829   23.963   26.570   60.910   7.9468   26.065   52.085   23.195   37.049   15.848 15.03611 28.09216 
1 1 1   -1   36    3 o   53.708   19.719   43.879   34.673   0.0000   0.0000   43.879   34.673  ?   ?    53.708   19.719 0.000000 19.71864 
1 1 1   -1   36    4 o   40.013   15.912   16.817   23.807 -24.3964   56.439   25.737   26.257   43.226   20.340   44.855   17.019 -1.629688 26.52126 
1 1 1   -1   36    5 o   73.806   16.614   80.585   29.883   42.214   63.461   91.518   33.874   58.118   24.791   77.920   17.799 -19.80289 30.51843 
1 1 1   -1   36    6 o   71.442   16.882   75.281   29.642   2.0445   64.842   94.628   33.328   51.131   23.244   80.141   17.170 -29.01084 28.89766 
1 1 1   -1   36    7 o   43.759   19.209   4.4107   40.354   25.122   57.636 -15.5047   56.518   54.378   23.420   45.938   21.186 8.439434 31.58064 
1 1 1   -1   36    8 o   75.629   16.411   82.165   30.104   84.804   65.021   81.445   33.964   71.852   26.885   74.119   18.428 -2.267937 32.59467 
1 1 1   -1   36    9 o   55.643   17.055   44.131   25.943   14.460   60.719   50.757   28.694   53.852   23.603   59.218   17.892 -5.366436 29.61792 
1 1 1   -1   36   10 o  132.494   13.146  235.470   42.920   76.978   81.944  295.389   50.384   72.097   29.226  148.016   13.790 -75.91871 32.31605 
1 1 1   -1   36   11 o   75.890   16.284   81.151   29.935   35.230   63.569   94.236   33.934   60.088   25.181   81.420   17.227 -21.33262 30.50963 
1 1 1   -1   36   12 f   49.087   17.719   30.132   27.828   0.0000   0.0000   30.132   27.828  ?   ?    49.087   17.719 0.000000 17.71926 
1 1 1   -1   36   13 o   49.258   16.842   31.663   24.903 -27.2826   67.352   40.998   26.802   49.812   23.027   54.603   17.424 -4.790688 28.87647 
1 1 1   -1   36   14 o   64.042   16.869   57.689   27.354 -40.7310  186.565   59.852   27.653   74.674   35.668   65.224   16.856 9.449432 39.44995 
1 1 1   -1   36   15 o   48.532   15.841   31.113   22.071   44.006   53.908   28.516   24.192   61.383   24.092   47.571   16.583 13.81268 29.24719 
1 1 1   -1   36   16 o   35.393   13.940   10.500   18.110   25.004   51.931   8.4923   19.323   55.535   22.972   35.171   14.215 20.36426 27.01464 
1 1 1   -1   36   17 o   54.342   21.654   29.050   44.165   16.737   54.208   53.361   76.169   54.269   23.024   68.888   28.083 -14.61951 36.31425 
1 1 1   -1   36   18 o   23.617   10.845  -9.8386   14.588   13.848   48.925 -12.1499   15.283   51.692   21.898   23.549   10.915 28.14315 24.46793 
1 1 1   -1   36   19 o   70.523   15.015   67.982   25.632   95.228   54.987   60.418   28.973   79.953   24.884   65.773   17.379 14.18073 30.35218 
1 1 1   -1   36   20 o   93.546   13.434  116.387   30.482  121.715   56.863  114.239   36.109   90.157   24.581   91.347   16.434 -1.190552 29.56832 
1 1 1   -1   36   21 o  120.722   12.052  190.470   35.846  182.624   62.696  194.281   43.692  111.894   23.199  120.601   14.820 -8.706680 27.52890 
1 1 1   -1   36   22 o  148.562   11.951  287.378   43.961  279.857   71.664  291.915   55.664  140.866   21.015  147.846   15.298 -6.979675 25.99392 
1 1 1   -1   36   23 o   40.860   15.060   18.384   20.254 -141.9391  137.619   21.933   20.477   60.053   29.164   42.940   15.233 17.11317 32.90237 
1 1 1   -1   36   24 f   83.287   13.620   92.783   27.348   79.079   52.022   98.017   32.149   73.910   24.330   84.765   15.768 -10.85482 28.99271 
1 1 1   -1   36   25 o   51.713   14.986   36.254   20.475   21.461   46.104   39.888   22.852   52.846   21.730   54.106   15.877 -1.259674 26.91233 
1 1 1   -1   36   26 o   44.590   14.683   25.558   18.946   5.8111   43.129   30.279   21.089   47.184   20.290   48.004   15.471 -0.8203850 25.51504 
1 1 1   -1   36   27 o   24.984   10.887  -1.7496   12.753   3.5038   38.204  -2.4084   13.529   44.185   19.048   25.461   11.151 18.72420 22.07212 
1 1 1   -1   36   28 o  101.609   20.787  148.264   50.967  137.559   56.548  194.604  117.658   95.969   23.729  103.694   36.543 -7.724892 43.57135 
1 1 1   -1   36   29 o  115.660   12.402  176.132   35.262  178.932   59.635  174.626   43.725  110.639   22.354  113.356   15.883 -2.717560 27.42177 
1 1 1   -1   36   30 o   67.935   13.641   62.665   22.338   93.908   40.799   49.289   26.695   80.473   20.303   59.429   17.080 21.04390 26.53206 
1 1 1   -1   36   31 o  101.695   11.392  135.692   28.432  141.756   45.654  131.850   36.340   99.994   18.978   98.402   15.285 1.591873 24.36735 
1 1 1   -1   36   32 o   36.722   13.419   15.075   16.032 -33.9168   31.985   31.513   18.527   31.575   14.993   48.212   14.335 -16.63764 20.74270 
1 1 1   -1   36   33 o   42.224   13.929   23.028   17.048   14.696   31.892   26.362   20.172   44.330   18.133   45.141   15.159 -0.8109818 23.63484 
1 1 1   -1   36   34 o   69.120   16.082   66.966   27.237   89.831  106.400   65.362   28.176   78.644   32.736   68.040   16.706 10.60439 36.75175 
1 1 1   -1   36   35 o  124.104   11.505  202.344   35.248  220.406   51.116  185.970   48.671  126.349   16.603  115.382   17.436 10.96696 24.07618 
1 1 1   -1   36   36 o   95.471   15.833  126.039   36.425  102.364  104.236  129.333   38.875   80.252   32.799   96.171   16.799 -15.91932 36.85073 
1 1 1   -1   36   37 o   48.170   15.110   31.521   20.229   0.0000   0.0000   31.521   20.229  ?   ?    48.170   15.110 0.000000 15.10992 
1 1 1   -1   37    1 o   39.814   18.578  -6.8421   45.436  -7.9184   62.015  -5.5949   66.759   44.050   20.905   45.339   21.566 -1.288216 30.03536 
1 1 1   -1   37    2 o   70.119   18.111   80.869   31.936  110.834   74.500   74.123   35.349   67.384   27.656   65.176   19.897 2.208031 34.06940 
1 1 1   -1   37    3 o   42.639   16.676   23.669   25.756   81.875   63.378   12.154   28.189   63.150   25.666   38.953   16.567 24.19688 30.54808 
1 1 1   -1   37    4 o   73.231   17.632   84.624   31.857 -24.9995   69.970  113.291   35.781   45.601   21.798   85.411   17.367 -39.81061 27.87088 
1 1 1   -1   37    5 o   64.956   20.624   71.129   37.587   0.0000   0.0000   71.129   37.587  ?   ?    64.956   20.624 0.000000 20.62411 
1 1 1   -1   37    6 o   50.551   17.336   38.009   26.389   29.948   60.901   39.873   29.280   53.454   23.528   51.598   18.225 1.856007 29.76083 
1 1 1   -1   37    7 o   41.678   16.187   20.338   24.139   65.732   61.289   12.003   26.262   62.661   25.320   39.049   16.260 23.61189 30.09071 
1 1 1   -1   37    8 o   28.254   12.921  -9.5853   20.419 -68.3041   59.431  -1.7266   21.742   38.950   18.972   31.719   14.005 7.231216 23.58139 
1 1 1   -1   37    9 o   67.024   23.555   74.439   48.859   96.046   67.743   51.014   70.535   72.615   27.388   61.381   26.158 11.23468 37.87266 
1 1 1   -1   37   10 o  157.256   13.733  339.651   53.389  122.930   98.242  430.478   63.599   78.072   31.868  176.131   14.591 -98.05889 35.04921 
1 1 1   -1   37   11 f   75.381   16.732   82.635   30.675   41.046   63.890   95.094   34.969   59.405   25.087   80.227   17.908 -20.82121 30.82337 
1 1 1   -1   37   12 o   63.589   16.796   58.830   27.069   56.530   62.182   59.368   30.067   63.521   25.561   63.369   18.101 0.1515579 31.32068 
1 1 1   -1   37   13 o  100.856   16.044  143.079   39.054   0.0000   0.0000  143.079   39.054  ?   ?   100.856   16.044 0.000000 16.04381 
1 1 1   -1   37   14 o   43.888   16.700   21.719   25.329   0.0000   0.0000   21.719   25.329  ?   ?    43.888   16.700 0.000000 16.70000 
1 1 1   -1   37   15 o   71.999   16.250   73.606   28.523   36.680   60.761   84.043   32.303   59.321   24.719   76.487   17.316 -17.16636 30.18019 
1 1 1   -1   37   16 o  144.416   13.981  281.305   49.789  106.623   84.089  375.602   61.782   79.728   30.407  166.070   15.062 -86.34125 33.93272 
1 1 1   -1   37   17 o   78.641   15.229   85.854   28.826   27.781   59.699  103.510   32.917   57.361   24.239   86.187   15.879 -28.82569 28.97698 
1 1 1   -1   37   18 o   28.087   12.243  -1.5677   16.140 -23.5514   52.041   0.7720   16.977   44.011   20.309   29.777   12.765 14.23396 23.98725 
1 1 1   -1   37   19 o   43.882   19.553  -5.0914   43.347  -0.8245   50.452 -17.1215   84.715   47.921   21.237   56.568   26.034 -8.646954 33.59742 
1 1 1   -1   37   20 o   35.304   13.974   10.447   18.280 -21.1218   49.544   15.421   19.667   43.469   19.970   38.661   14.715 4.808136 24.80541 
1 1 1   -1   37   21 o  119.982   13.074  191.740   38.537  183.248   67.501  195.846   46.938  108.522   25.364  119.386   16.159 -10.86382 30.07399 
1 1 1   -1   37   22 o  220.913   12.839  644.174   70.524  620.074  107.581  662.336   93.389  207.634   21.039  219.430   17.180 -11.79587 27.16257 
1 1 1   -1   37   23 o  137.705   11.889  249.298   40.482  262.732   68.254  242.007   50.281  134.755   20.964  133.477   15.365 1.277863 25.99245 
1 1 1   -1   37   24 o   43.549   15.129   23.764   20.127  -3.8011   49.038   29.348   22.071   46.823   20.835   47.318   15.857 -0.4957695 26.18275 
1 1 1   -1   37   25 o   66.704   16.918   62.977   28.222  111.970  141.930   60.960   28.797   84.515   36.574   65.501   17.335 19.01369 40.47422 
1 1 1   -1   37   26 f   28.399   11.970   2.1793   14.500   29.463   44.746  -1.0221   15.328   53.964   21.694   27.644   11.991 26.31936 24.78762 
1 1 1   -1   37   27 o   68.430   15.302   65.179   25.492   32.968   47.242   78.411   30.279   55.725   22.330   74.587   16.675 -18.86221 27.86925 
1 1 1   -1   37   28 o   67.322   14.475   62.590   23.611   73.351   45.506   58.626   27.620   70.103   22.739   64.262   16.963 5.841194 28.36906 
1 1 1   -1   37   29 o  114.803   12.715  175.499   35.839  130.813   56.794  205.069   46.200   91.601   24.393  122.471   15.450 -30.86939 28.87458 
1 1 1   -1   37   30 o   34.855   16.227 -23.9938   34.352 -26.6646   35.658   10.498  128.142   35.088   16.401   68.998   31.849 -33.90936 35.82401 
1 1 1   -1   37   31 o   30.400   12.257   6.3791   14.331   62.313   35.936  -4.1985   15.627   65.283   20.084   26.553   11.791 38.72977 23.28900 
1 1 1   -1   37   32 o   41.526   14.118   22.014   17.498   5.4378   35.708   27.253   20.074   42.827   18.439   45.460   15.120 -2.633141 23.84610 
1 1 1   -1   37   33 o   85.999   13.385  100.243   27.811   89.552   44.398  107.146   35.678   76.687   22.024   86.986   17.034 -10.29920 27.84241 
1 1 1   -1   37   34 o   72.671   13.662   72.386   23.882   52.997   39.008   84.013   30.206   60.922   21.067   77.171   16.191 -16.24940 26.56995 
1 1 1   -1   37   35 o   55.525   16.226   43.536   23.914 -16.8743  124.627   45.845   24.366   64.408   30.282   56.877   16.310 7.530880 34.39522 
1 1 1   -1   37   36 o  119.218   17.247  200.787   49.854   0.0000   0.0000  200.787   49.854  ?   ?   119.218   17.247 0.000000 17.24687 
1 1 1   -1   38    1 o   48.269   21.645   40.142   54.032   21.199   74.852   60.751   78.075   46.978   22.481   52.035   24.304 -5.057243 33.10725 
1 1 1   -1   38    2 o   51.022   22.162   47.954   52.505   76.732   69.911   10.721   79.521   56.449   25.009   47.459   22.831 8.990200 33.86285 
1 1 1   -1   38    3 o   46.779   17.680   34.798   28.267   90.987   66.582   22.444   31.220   61.311   25.736   42.342   17.688 18.96891 31.22789 
1 1 1   -1   38    4 o   42.890   16.917   25.272   26.703   37.053   68.119   23.132   29.027   51.889   23.679   42.532   17.337 9.356400 29.34734 
1 1 1   -1   38    5 f   38.898   15.966   16.116   24.831   61.717   66.636   8.7634   26.758   57.353   24.940   36.955   15.936 20.39813 29.59674 
1 1 1   -1   38    6 o   41.283   16.908   18.992   27.771 -45.2892   73.320   29.759   30.007   43.646   21.217   46.092   18.007 -2.445606 27.82850 
1 1 1   -1   38    7 o   45.589   17.123   29.276   26.423   67.519   69.734   22.865   28.552   60.449   25.891   43.298   17.356 17.15123 31.17062 
1 1 1   -1   38    8 o   26.980   12.569 -13.6450   20.665 -35.5461   60.916 -10.7969   21.967   42.167   20.205   28.696   13.225 13.47096 24.14872 
1 1 1   -1   38    9 o   49.261   17.107   35.807   25.733   22.905   64.180   38.279   28.090   52.417   23.542   50.632   17.854 1.785004 29.54609 
1 1 1   -1   38   10 o   78.202   16.799   92.048   31.827   75.456   68.637   96.593   35.923   64.722   26.552   78.652   18.585 -13.93035 32.41015 
1 1 1   -1   38   11 o   37.388   17.643 -27.5176   43.012 -52.6809   55.394   10.690   68.258   38.987   18.830   52.157   23.763 -13.16964 30.31940 
1 1 1   -1   38   12 o   47.485   17.437   30.526   27.115   0.0000   0.0000   30.526   27.115  ?   ?    47.485   17.437 0.000000 17.43693 
1 1 1   -1   38   13 o   39.728   15.894   15.454   23.891   9.5801   60.913   16.521   25.972   51.007   22.920   41.067   16.521 9.940769 28.25383 
1 1 1   -1   38   14 f   46.131   16.588   28.274   24.361  -5.7927   61.924   34.512   26.498   48.878   22.407   49.707   17.354 -0.8287163 28.34112 
1 1 1   -1   38   15 o   47.694   16.422   31.213   23.690   85.348   60.831   21.535   25.720   70.785   26.099   43.397   16.750 27.38824 31.01121 
1 1 1   -1   38   16 o   78.495   19.182   93.256   37.282   0.0000   0.0000   93.256   37.282  ?   ?    78.495   19.182 0.000000 19.18246 
1 1 1   -1   38   17 o  102.309   14.129  144.535   35.134  135.646   67.255  147.871   41.203   87.466   27.568  101.567   16.835 -14.10081 32.30216 
1 1 1   -1   38   18 o   95.191   14.136  125.095   32.582  124.415   65.396  125.320   37.578   84.443   27.246   93.605   16.688 -9.162544 31.95045 
1 1 1   -1   38   19 o   57.679   15.777   47.602   23.380  103.329   55.334   35.491   25.796   79.085   25.015   50.701   17.142 28.38410 30.32458 
1 1 1   -1   38   20 o   54.509   16.068   42.278   23.359   58.685   54.511   38.587   25.853   63.682   24.435   52.442   17.146 11.24055 29.85089 
1 1 1   -1   38   21 o   75.980   24.474   93.203   52.785   68.168   61.698  161.565  101.954   67.321   25.954   89.944   33.664 -22.62330 42.50698 
1 1 1   -1   38   22 o  141.601   12.653  268.522   44.272  306.229   75.483  248.750   54.660  142.430   21.926  132.910   16.847 9.519943 27.65091 
1 1 1   -1   38   23 o   76.219   15.047   81.322   27.623   78.150   56.004   82.342   31.755   70.497   25.172   75.536   17.218 -5.039146 30.49721 
1 1 1   -1   38   24 f   86.485   14.262  103.040   29.727  102.293   57.378  103.315   34.755   79.067   25.522   85.038   16.961 -5.971100 30.64389 
1 1 1   -1   38   25 o   35.292   13.759   11.751   17.492  -0.0931   46.198   13.734   18.899   45.708   20.286   37.112   14.348 8.595798 24.84757 
1 1 1   -1   38   26 o  129.230   15.199  230.108   48.111  359.349  175.523  219.609   50.027  114.782   43.894  125.302   16.380 -10.52045 46.85042 
1 1 1   -1   38   27 o   94.813   14.382  123.600   32.983   98.485   57.046  136.211   40.425   77.741   25.472   97.812   17.177 -20.07150 30.72237 
1 1 1   -1   38   28 o   56.894   15.657   45.924   22.946  -8.6771   46.009   64.000   26.473   43.728   19.759   67.000   16.036 -23.27156 25.44717 
1 1 1   -1   38   29 o   63.370   14.535   56.286   22.511   87.150   45.583   46.331   25.888   74.769   22.543   56.908   16.950 17.86025 28.20433 
1 1 1   -1   38   30 o  178.602   13.329  428.995   59.018  399.503   88.553  452.564   79.163  162.350   22.442  178.369   18.020 -16.01886 28.78145 
1 1 1   -1   38   31 o   60.972   21.628   53.864   41.279   55.734   43.041   32.421  145.749   61.847   22.069   71.261   33.258 -9.413704 39.91437 
1 1 1   -1   38   32 o   37.629   17.018  -9.8235   34.218 -18.0788   35.217  129.477  144.666   36.285   16.731   82.157   36.208 -45.87210 39.88604 
1 1 1   -1   38   33 f  103.217   12.779  143.838   32.235  152.234   50.896  138.215   41.654  100.300   20.994   97.976   17.675 2.324104 27.44398 
1 1 1   -1   38   34 o   38.460   13.744   18.012   16.700   19.813   34.031   17.441   19.166   46.190   18.794   39.132   14.606 7.057652 23.80178 
1 1 1   -1   38   35 o   81.943   17.098   97.141   33.856   0.0000   0.0000   97.141   33.856  ?   ?    81.943   17.098 0.000000 17.09823 
1 1 1   -1   39    1 o   33.541   16.659 -49.5911   53.771   10.399   68.782 -143.8736   86.229   41.888   20.405   34.645   17.658 7.243729 26.98446 
1 1 1   -1   39    2 o   44.119   20.483   28.427   54.131   7.9223   75.311   50.343   77.858   43.463   21.211   47.980   22.952 -4.516926 31.25222 
1 1 1   -1   39    3 o   46.951   21.341   37.879   54.641  -5.0972   75.506   85.127   79.171   43.389   21.189   54.015   24.968 -10.62539 32.74757 
1 1 1   -1   39    4 o   51.985   22.546   56.507   54.171   11.211   75.082  105.684   78.232   46.056   22.163   59.172   26.324 -13.11523 34.41124 
1 1 1   -1   39    5 o   50.350   18.264   44.007   29.618   56.562   71.689   41.423   32.524   52.981   24.222   49.012   18.858 3.968971 30.69742 
1 1 1   -1   39    6 o   32.683   14.672  -0.2428   24.899 -74.1786   66.428   11.843   26.857   37.644   18.666   37.410   16.047 0.2347755 24.61526 
1 1 1   -1   39    7 o   95.922   16.919  145.863   39.045   42.171   81.015  177.235   44.562   53.490   24.908  104.967   17.625 -51.47645 30.51312 
1 1 1   -1   39    8 o   77.877   21.660  110.279   43.654   0.0000   0.0000  110.279   43.654  ?   ?    77.877   21.660 0.000000 21.65979 
1 1 1   -1   39    9 o   20.259   10.023 -37.8712   18.778   29.109   60.093 -45.1189   19.768   50.906   22.827   19.960   9.9439 30.94644 24.89910 
1 1 1   -1   39   10 f   47.464   17.349   33.390   26.799   7.0465   64.241   38.941   29.487   48.389   22.411   50.246   18.224 -1.857048 28.88558 
1 1 1   -1   39   11 o  105.193   18.134  172.616   45.916   0.0000   0.0000  172.616   45.916  ?   ?   105.193   18.134 0.000000 18.13411 
1 1 1   -1   39   12 o   39.834   18.806 -23.7076   48.971   47.683   62.988 -132.8062   77.866   56.802   24.473   38.644   19.327 18.15766 31.18441 
1 1 1   -1   39   13 o   48.568   21.319   19.103   49.707  -0.8754   64.336   48.692   78.295   48.460   22.439   58.995   26.283 -10.53492 34.55859 
1 1 1   -1   39   14 f   84.435   17.015  107.436   34.636  114.355   73.925  105.490   39.206   74.113   28.452   81.372   19.540 -7.259041 34.51541 
1 1 1   -1   39   15 o   43.357   16.223   24.185   23.674   41.566   62.401   21.262   25.587   56.797   24.414   42.558   16.628 14.23880 29.53857 
1 1 1   -1   39   16 o  108.706   15.055  168.931   39.770   62.292   76.445  208.504   46.568   63.045   27.059  120.029   15.930 -56.98348 31.39980 
1 1 1   -1   39   17 f   31.793   13.869   0.3792   20.748 -33.8608   61.951   4.7047   22.019   44.047   20.900   34.224   14.601 9.822086 25.49534 
1 1 1   -1   39   18 o  111.899   19.237  190.303   51.815   0.0000   0.0000  190.303   51.815  ?   ?   111.899   19.237 0.000000 19.23655 
1 1 1   -1   39   19 o   92.399   15.073  121.425   33.579   96.532   66.418  129.973   38.920   72.828   27.188   93.988   17.217 -21.15983 32.18056 
1 1 1   -1   39   20 o   85.893   15.145  105.069   31.299  103.577   62.635  105.565   36.133   75.833   26.669   84.234   17.738 -8.401146 32.02927 
1 1 1   -1   39   21 o   70.861   14.890   71.709   25.512  158.544   58.618   51.418   28.336   97.538   24.186   58.719   17.789 38.81875 30.02331 
1 1 1   -1   39   22 f   47.982   21.100   9.8218   48.882 -16.2440   55.336  102.429  104.302   45.097   20.856   74.016   31.683 -28.91918 37.93116 
1 1 1   -1   39   23 o   30.616   13.088   2.1857   17.758   7.0911   52.472   1.5512   18.871   48.644   21.603   31.160   13.410 17.48388 25.42690 
1 1 1   -1   39   24 o   30.488   12.877   3.4101   16.836   4.9156   49.438   3.2126   17.906   47.224   20.971   31.178   13.230 16.04627 24.79556 
1 1 1   -1   39   25 f   73.071   16.026   77.061   28.437   20.951   57.424   95.292   32.733   53.272   23.159   81.014   16.734 -27.74200 28.57157 
1 1 1   -1   39   26 o   60.719   15.593   53.165   23.767   77.531   52.678   46.938   26.631   68.970   24.436   56.675   17.263 12.29513 29.91838 
1 1 1   -1   39   27 o   52.754   15.866   39.826   22.601   46.638   51.137   38.173   25.195   58.731   23.332   51.830   16.925 6.901173 28.82464 
1 1 1   -1   39   28 o   60.480   17.181   53.748   27.166  102.860  188.250   52.703   27.453   77.073   36.532   59.855   17.356 17.21798 40.44464 
1 1 1   -1   39   29 f   79.960   14.738   89.956   28.345   91.850   52.142   89.162   33.770   74.420   24.351   77.694   17.789 -3.273857 30.15665 
1 1 1   -1   39   30 o   91.265   13.670  114.950   30.196  119.921   53.519  112.629   36.573   85.134   24.091   87.948   17.269 -2.813782 29.64079 
1 1 1   -1   39   31 o   36.032   13.835   13.572   17.482   5.9155   40.974   15.276   19.330   44.361   19.417   37.850   14.544 6.510754 24.26035 
1 1 1   -1   39   32 o   27.712   11.852   1.2486   14.575  -8.8668   37.545   3.0436   15.816   39.167   17.760   29.553   12.481 9.614721 21.70676 
1 1 1   -1   39   33 o   49.970   20.346   27.054   39.922   25.205   41.149   56.663  164.673   49.730   20.499   71.400   33.936 -21.66930 39.64697 
1 1 1   -1   39   34 o   35.837   14.093   12.400   18.482   0.0000   0.0000   12.400   18.482  ?   ?    35.837   14.093 0.000000 14.09324 
1 1 1   -1   40    4 o   53.599   23.476   86.902   59.980   54.436   82.906  122.557   86.882   47.006   22.783   54.173   25.410 -7.167145 34.12853 
1 1 1   -1   40    5 o   52.656   23.073   73.192   57.991   45.425   81.311  101.938   82.731   47.574   22.936   54.156   25.202 -6.581814 34.07667 
1 1 1   -1   40    6 o   45.751   20.987   31.633   54.442   83.821   76.177 -22.8527   77.836   54.022   24.797   42.092   20.747 11.92961 32.33186 
1 1 1   -1   40    7 o   49.750   18.346   44.479   30.062 -16.6278   76.417   55.668   32.699   43.306   21.184   54.246   19.249 -10.93913 28.62301 
1 1 1   -1   40    8 o   30.870   14.256  -7.3141   25.713 -46.6798   72.535  -1.6561   27.499   40.687   20.049   33.225   15.117 7.461941 25.10935 
1 1 1   -1   40    9 o   40.365   16.582   20.354   26.813   48.062   73.980   16.164   28.768   52.490   24.219   39.389   16.744 13.10019 29.44335 
1 1 1   -1   40   10 o   59.821   20.751   66.638   37.859   0.0000   0.0000   66.638   37.859  ?   ?    59.821   20.751 0.000000 20.75085 
1 1 1   -1   40   11 o   53.877   23.204   50.242   56.582   61.937   71.738   30.989   92.042   56.614   25.195   53.310   25.348 3.303886 35.73975 
1 1 1   -1   40   12 o   69.107   18.580   79.601   32.758   59.869   74.835   84.278   36.434   57.167   25.566   69.710   19.930 -12.54306 32.41595 
1 1 1   -1   40   13 o   37.316   15.552   12.418   24.056   65.003   69.197   5.1887   25.656   58.819   25.496   35.441   15.443 23.37814 29.80787 
1 1 1   -1   40   14 o   33.628   16.561 -69.2170   49.253 -66.7120   61.574 -73.6673   82.070   38.396   18.831   43.463   21.399 -5.066326 28.50513 
1 1 1   -1   40   15 o   68.143   17.900   73.981   30.852   44.093   67.386   81.908   34.703   55.797   24.645   70.635   19.180 -14.83831 31.22870 
1 1 1   -1   40   16 o   86.040   17.160  113.512   35.577   43.335   73.376  135.081   40.679   56.756   25.353   93.038   18.161 -36.28183 31.18645 
1 1 1   -1   40   17 o   37.110   15.374   11.404   23.308 -25.3788   63.587   17.114   25.052   44.520   21.139   40.203   16.208 4.317795 26.63766 
1 1 1   -1   40   18 o  100.759   16.211  150.352   39.406   44.894   76.991  187.784   45.869   58.311   26.015  112.004   16.928 -53.69356 31.03724 
1 1 1   -1   40   19 o   73.428   19.870   87.277   37.322   0.0000   0.0000   87.277   37.322  ?   ?    73.428   19.870 0.000000 19.87046 
1 1 1   -1   40   20 o   47.535   16.735   32.124   24.668   37.921   65.383   31.161   26.637   56.264   24.580   47.338   17.298 8.925404 30.05661 
1 1 1   -1   40   21 o  106.098   14.157  159.230   36.573  193.802   71.685  147.064   42.524  101.093   27.615   98.602   17.931 2.491280 32.92538 
1 1 1   -1   40   22 o   53.446   16.706   42.525   24.754   51.456   60.421   40.724   27.136   59.192   24.656   52.397   17.582 6.795750 30.28290 
1 1 1   -1   40   23 o   51.777   16.485   39.419   24.000   65.529   57.878   33.997   26.374   63.007   24.888   48.968   17.297 14.03896 30.30844 
1 1 1   -1   40   24 o   45.114   20.451  -1.4076   49.749   6.0164   54.872 -35.6937  117.920   48.226   21.704   56.499   27.333 -8.272133 34.90178 
1 1 1   -1   40   25 o   36.922   14.567   13.667   19.807 -23.0016   53.669   19.449   21.311   42.747   20.025   40.462   15.337 2.284794 25.22384 
1 1 1   -1   40   26 o   24.996   11.327  -6.4423   15.246   29.662   50.149 -10.1189   16.003   52.505   22.203   24.434   11.270 28.07181 24.89938 
1 1 1   -1   40   27 o   40.292   14.956   19.903   20.043   10.951   51.228   21.521   21.780   48.349   21.415   41.728   15.571 6.621552 26.47708 
1 1 1   -1   40   28 o   70.460   16.073   72.975   27.656   54.756   54.152   79.404   32.167   60.138   23.973   72.325   17.905 -12.18715 29.92146 
1 1 1   -1   40   29 o   69.008   15.959   69.943   26.953   66.652   52.690   71.110   31.368   63.735   24.126   68.221   18.111 -4.485428 30.16712 
1 1 1   -1   40   30 o   39.209   15.084   17.327   20.807  125.563  222.221   16.369   20.898   74.114   36.227   38.773   15.061 35.34092 39.23276 
1 1 1   -1   40   31 o   48.633   15.411   33.946   20.994   50.059   45.856   29.673   23.614   57.805   22.350   46.424   16.370 11.38098 27.70363 
1 1 1   -1   40   32 o   46.954   15.562   31.221   21.271 -27.0565   43.983   49.014   24.302   38.057   17.923   57.439   16.227 -19.38236 24.17722 
1 1 1   -1   40   33 o   75.287   17.467   85.715   32.203   0.0000   0.0000   85.715   32.203  ?   ?    75.287   17.467 0.000000 17.46669 
1 1 1   -1   40   34 o   65.248   32.029   15.521  179.419   0.0000   0.0000   15.521  179.419  ?   ?    65.248   32.029 0.000000 32.02889 
1 1 1   -1   41    7 o   34.383   17.053 -45.4272   55.606 -75.4322   76.424 -11.6720   81.059   36.371   18.319   41.172   20.450 -4.801811 27.45515 
1 1 1   -1   41    8 o   34.703   15.466   8.3585   27.134   38.734   78.121   4.1912   28.936   46.480   22.427   34.180   15.534 12.29972 27.28154 
1 1 1   -1   41    9 o   49.662   19.086   47.763   33.291   0.0000   0.0000   47.763   33.291  ?   ?    49.662   19.086 0.000000 19.08632 
1 1 1   -1   41   10 f   41.307   19.719  -1.8992   56.849 -43.1733   71.957   66.645   92.730   39.871   19.708   51.925   24.894 -12.05434 31.75039 
1 1 1   -1   41   11 o   51.539   18.633   48.145   30.790  208.399   80.090   20.352   33.354   82.088   29.994   41.227   17.786 40.86059 34.87112 
1 1 1   -1   41   12 o   26.511   12.678 -21.4201   23.714   0.0000   0.0000 -21.4201   23.714  ?   ?    26.511   12.678 0.000000 12.67766 
1 1 1   -1   41   13 o   27.799   12.996 -12.5551   22.406 -81.3074   70.096  -4.7313   23.646   37.896   18.855   30.639   13.970 7.256908 23.46606 
1 1 1   -1   41   14 f   46.207   17.617   33.099   28.222   8.3372   73.965   37.319   30.532   47.896   22.759   48.141   18.331 -0.2449379 29.22330 
1 1 1   -1   41   15 o   48.624   17.639   37.742   27.625   62.033   69.006   33.106   30.145   56.367   24.916   46.678   18.101 9.689556 30.79658 
1 1 1   -1   41   16 o   39.087   18.750 -29.3104   52.776 -55.3335   63.330   29.844   95.482   39.319   19.244   53.894   25.680 -14.57553 32.09037 
1 1 1   -1   41   17 o   85.161   17.687  115.783   36.383   98.789   75.419  120.938   41.536   64.958   27.335   84.367   20.017 -19.40888 33.88036 
1 1 1   -1   41   18 o  108.406   16.348  179.299   42.880  191.275   84.405  175.132   49.782   86.183   30.889  102.461   20.175 -16.27802 36.89344 
1 1 1   -1   41   19 o   71.186   18.046   81.624   32.122  104.366   70.856   75.741   36.038   68.283   27.353   66.582   20.037 1.700569 33.90675 
1 1 1   -1   41   20 o   54.726   17.818   47.628   27.931   27.881   65.238   52.060   30.907   52.226   23.570   56.566   18.759 -4.339321 30.12391 
1 1 1   -1   41   21 o   90.020   20.262  134.016   44.449   0.0000   0.0000  134.016   44.449  ?   ?    90.020   20.262 0.000000 20.26181 
1 1 1   -1   41   22 o   46.678   17.143   31.223   26.209 -51.8214   64.591   47.590   28.676   41.305   20.041   54.917   18.063 -13.61141 26.97958 
1 1 1   -1   41   23 o   55.583   17.547   48.291   27.236   13.678   61.851   56.618   30.336   49.808   22.665   59.446   18.480 -9.638199 29.24401 
1 1 1   -1   41   24 o   23.874   11.156 -12.6738   16.482 -62.6587   55.174  -7.7762   17.270   37.098   18.116   26.062   11.905 11.03587 21.67740 
1 1 1   -1   41   25 o   24.334   11.288 -10.9142   16.389 -36.7887   54.839  -8.3767   17.173   40.180   19.232   25.805   11.819 14.37549 22.57283 
1 1 1   -1   41   26 o   65.855   25.268   81.356   58.284   96.937   64.015   5.8272  140.940   69.795   26.551   59.703   29.110 10.09168 39.40010 
1 1 1   -1   41   27 f   62.420   16.562   59.563   26.243   76.358   57.607   55.165   29.479   64.492   25.018   59.143   18.189 5.348515 30.93158 
1 1 1   -1   41   28 o   31.938   13.469   5.4111   18.376 -37.0417   50.937   11.763   19.703   38.786   18.556   35.571   14.362 3.215302 23.46495 
1 1 1   -1   41   29 o   35.237   14.047   12.224   18.593   58.333   48.746   4.3743   20.113   59.170   22.997   32.592   13.931 26.57869 26.88742 
1 1 1   -1   41   30 o   50.171   15.805   37.497   22.107   57.071   50.999   32.968   24.532   58.764   23.315   47.644   16.694 11.11943 28.67510 
1 1 1   -1   41   31 f   75.732   18.717   91.212   35.194 -11.3765  276.045   92.907   35.483   64.495   32.746   76.442   18.734 -11.94704 37.72631 
1 1 1   -1   41   32 o   54.000   17.494   45.094   26.940   0.0000   0.0000   45.094   26.940  ?   ?    54.000   17.494 0.000000 17.49392 
1 1 1   -1   41   33 o   61.532   30.716  -1.5826  192.557   0.0000   0.0000  -1.5826  192.557  ?   ?    61.532   30.716 0.000000 30.71571 
1 1 1   -1   42   12 o   33.151   15.007   3.1426   26.683   9.9162   74.780   2.1543   28.563   43.653   21.267   33.618   15.338 10.03578 26.22098 
1 1 1   -1   42   13 f   57.739   21.070   72.081   39.504   0.0000   0.0000   72.081   39.504  ?   ?    57.739   21.070 0.000000 21.07040 
1 1 1   -1   42   14 o   58.698   19.621   67.187   33.793   3.3356   85.721   78.936   36.771   45.632   22.346   62.709   20.446 -17.07755 30.28811 
1 1 1   -1   42   15 o   25.329   12.134 -20.6857   21.942  -6.4334   69.231 -22.2773   23.135   43.360   20.968   25.788   12.382 17.57186 24.35128 
1 1 1   -1   42   16 o   46.988   18.060   37.001   29.808 -37.6180   72.122   52.373   32.735   41.284   20.274   53.346   19.224 -12.06178 27.93911 
1 1 1   -1   42   17 o   49.239   18.104   41.291   29.244   81.363   72.870   33.599   31.928   57.401   25.477   46.039   18.390 11.36212 31.42054 
1 1 1   -1   42   18 o   42.806   20.253  -3.8167   57.355 -36.8437   66.327   94.083  114.195   40.888   19.944   57.864   27.710 -16.97559 34.14103 
1 1 1   -1   42   19 o   38.921   16.119   16.964   25.610 -20.2796   65.452   23.697   27.829   42.808   20.623   42.138   17.049 0.6694336 26.75812 
1 1 1   -1   42   20 o   40.599   16.382   20.754   25.616   55.837   65.445   14.407   27.838   54.698   24.217   38.868   16.495 15.83011 29.30076 
1 1 1   -1   42   21 o   45.848   17.068   32.010   26.140   75.741   68.192   24.477   28.302   59.140   25.472   42.895   17.250 16.24413 30.76369 
1 1 1   -1   42   22 o   26.977   12.504 -10.5771   20.054   7.8082   64.884 -12.5189   21.086   47.206   22.084   27.190   12.676 20.01592 25.46337 
1 1 1   -1   42   23 o   34.975   15.135   6.4666   24.302   0.0000   0.0000   6.4666   24.302  ?   ?    34.975   15.135 0.000000 15.13487 
1 1 1   -1   42   24 o   45.553   16.920   30.732   25.659   10.503   63.024   34.751   28.093   47.689   22.126   47.644   17.702 0.4425049E-01 28.33625 
1 1 1   -1   42   25 o   40.902   16.174   21.011   24.466 -48.3029   61.238   34.176   26.688   39.681   19.313   47.374   17.314 -7.693752 25.93737 
1 1 1   -1   42   26 o   40.212   15.790   20.205   23.169   19.543   60.306   20.319   25.095   48.967   22.320   40.824   16.305 8.143440 27.64122 
1 1 1   -1   42   27 o   50.519   22.229   31.983   54.328   15.007   57.765  162.050  159.892   47.760   21.799   66.566   32.111 -18.80588 38.81088 
1 1 1   -1   42   28 o   48.319   16.837   35.910   24.937 -31.1737   58.913   50.554   27.525   41.137   19.754   55.857   17.640 -14.71914 26.48347 
1 1 1   -1   42   29 f   54.357   16.938   47.040   25.468   3.3063   54.691   59.150   28.779   45.048   20.799   60.170   17.860 -15.12189 27.41497 
1 1 1    0  -38    1 o   46.349   21.063   39.589   53.184   69.044   81.127   17.390   70.430   50.492   23.947   44.297   21.354 6.195480 32.08477 
1 1 1    0  -37    1 o   41.633   19.273   5.1700   47.420   16.157   72.215  -3.1583   62.875   47.523   22.554   43.656   20.812 3.866970 30.68918 
1 1 1    0  -37    2 o   34.718   16.874 -33.8416   46.312   39.028   72.481 -84.1152   60.203   49.212   23.124   34.155   17.069 15.05672 28.74089 
1 1 1    0  -36    1 o   42.108   16.886   22.261   27.036   26.443   30.615   7.4460   57.622   44.587   17.938   46.218   21.342 -1.630112 27.87901 
1 1 1    0  -36    2 o   94.168   24.294  174.241   57.508  216.422   88.349  143.230   75.753   86.790   31.535   73.467   28.636 13.32373 42.59679 
1 1 1    0  -36    3 o   53.947   22.131   55.744   47.679   71.526   77.570   46.161   60.445   56.359   25.543   51.768   23.076 4.590866 34.42365 
1 1 1    0  -36    4 o   50.598   21.881   47.918   50.728  111.611   81.897   8.2685   64.617   60.592   26.945   44.905   21.319 15.68707 34.35892 
1 1 1    0  -35    1 o   39.411   16.100   15.186   25.103   18.814   28.368   2.0957   53.889   42.045   17.139   45.960   21.008 -3.915241 27.11197 
1 1 1    0  -35    2 o   51.642   17.908   41.504   28.196   30.740   32.424   74.895   57.108   47.271   18.642   62.711   24.738 -15.44007 30.97569 
1 1 1    0  -35    3 o   55.156   21.782   51.793   44.324   95.563   73.141   26.388   55.722   65.174   27.136   49.736   22.165 15.43789 35.03741 
1 1 1    0  -35    4 o   48.948   20.519   34.793   42.235   51.676   71.840   25.875   52.211   55.113   24.816   48.233   21.478 6.880341 32.81951 
1 1 1    0  -35    5 o   41.024   18.622   7.0296   41.428   41.157   74.045  -8.5213   49.983   52.208   24.138   40.599   19.116 11.60971 30.79052 
1 1 1    0  -35    6 o   48.806   20.785   40.170   44.478   58.757   77.895   31.178   54.179   53.294   24.681   47.560   21.470 5.733971 32.71301 
1 1 1    0  -34    1 o   65.241   20.865   67.632   38.417   67.632   38.417   0.0000   0.0000   65.241   20.865  ?   ?  0.000000 20.86500 
1 1 1    0  -34    2 o  151.937   12.371  315.815   46.528  432.792   57.249   88.194   79.859  177.145   13.033   68.421   28.410 108.7246 31.25686 
1 1 1    0  -34    3 o  102.008   14.108  148.356   34.976  162.827   42.472  117.860   61.654  104.295   16.885   77.453   26.500 26.84261 31.42186 
1 1 1    0  -34    4 f   49.969   17.717   37.724   27.697   62.688   33.061 -21.0391   50.723   61.762   19.307   40.716   19.197 21.04583 27.22674 
1 1 1    0  -34    5 o   48.883   20.138   32.742   39.686   41.087   69.668   28.734   48.286   54.688   24.547   49.258   21.325 5.430485 32.51604 
1 1 1    0  -34    6 o   82.195   22.504  125.048   47.542  180.957   81.152   95.832   58.664   83.167   30.223   66.666   25.404 16.50060 39.48106 
1 1 1    0  -34    7 o   47.433   20.109   31.961   41.303   18.217   75.673   37.792   49.294   49.571   23.395   49.895   21.573 -0.3231850 31.82349 
1 1 1    0  -33    1 f   89.315   14.122  109.590   30.449  141.536   36.749   39.636   54.382  101.157   15.003   58.361   23.753 42.79610 28.09421 
1 1 1    0  -33    2 o   96.617   21.094  143.385   49.466  143.385   49.466   0.0000   0.0000   96.617   21.094  ?   ?  0.000000 21.09394 
1 1 1    0  -33    3 o   47.365   16.826   30.336   24.994   29.229   29.521   33.139   46.968   47.842   18.071   53.408   21.944 -5.566219 28.42694 
1 1 1    0  -33    4 o   68.740   16.843   70.719   28.686   57.381   35.028   97.879   49.986   60.510   19.966   75.243   23.772 -14.73246 31.04492 
1 1 1    0  -33    5 o   34.243   14.882   2.6964   23.704   5.1449   28.423  -2.8957   42.954   37.568   16.312   41.811   18.973 -4.243671 25.02110 
1 1 1    0  -33    6 o   44.647   19.046   18.151   37.462   19.422   69.342   17.627   44.519   52.282   23.871   46.517   20.303 5.764954 31.33776 
1 1 1    0  -33    7 o   31.546   15.146 -33.0509   34.605   20.256   68.010 -51.6735   40.198   51.225   23.483   31.662   15.462 19.56296 28.11580 
1 1 1    0  -33    8 o   55.638   21.553   54.203   42.706   92.924   81.432   39.513   50.157   63.176   27.520   51.593   22.025 11.58306 35.24849 
1 1 1    0  -33    9 o   69.059   29.437  142.462   89.364  142.462   89.364   0.0000   0.0000   69.059   29.437  ?   ?  0.000000 29.43724 
1 1 1    0  -32    1 o  149.943   11.518  293.616   42.797  321.905   52.581  238.090   73.665  155.680   13.663  125.939   24.304 29.74162 27.88137 
1 1 1    0  -32    2 f   90.819   13.848  111.699   30.413  125.914   37.123   82.684   53.038   95.256   16.185   73.562   24.581 21.69360 29.43132 
1 1 1    0  -32    3 o   68.211   16.126   66.077   27.036   84.222   32.917   28.462   47.394   76.429   17.609   53.769   22.062 22.66004 28.22788 
1 1 1    0  -32    4 o   38.890   16.743   4.3902   29.435   4.3902   29.435   0.0000   0.0000   38.890   16.743  ?   ?  0.000000 16.74287 
1 1 1    0  -32    5 o  154.829   12.187  322.617   46.740  387.244   58.245  205.731   78.331  167.779   14.031  106.224   28.804 61.55495 32.03954 
1 1 1    0  -32    6 o   38.116   15.690   11.575   24.067   23.181   29.896  -9.7964   40.570   45.109   17.866   39.928   18.242 5.181023 25.53298 
1 1 1    0  -32    7 o   36.935   15.659   8.0291   25.047  -0.5868   31.260   23.478   41.860   37.350   16.626   48.147   20.318 -10.79657 26.25380 
1 1 1    0  -32    8 o   50.490   20.468   34.532   40.193  187.233   79.502 -17.8963   46.584   91.922   30.068   39.945   18.695 51.97771 35.40597 
1 1 1    0  -32    9 o   39.877   17.906   2.2755   37.104   98.171   75.282 -28.4927   42.643   66.800   27.648   36.156   17.209 30.64378 32.56623 
1 1 1    0  -32   10 o   56.987   21.390   57.407   41.222   70.560   81.347   52.862   47.817   59.459   26.618   55.257   22.351 4.201542 34.75784 
1 1 1    0  -31    1 o  269.493   12.718  940.848   85.592  1048.47  105.577  734.489  146.196  282.130   15.040  223.962   26.664 58.16753 30.61342 
1 1 1    0  -31    2 o  144.958   15.451  281.083   55.070  270.694   84.877  288.636   72.371  134.386   26.234  143.210   20.849 -8.823669 33.50908 
1 1 1    0  -31    3 o  135.957   11.698  241.503   39.328  275.735   48.790  178.006   66.450  144.173   13.717  108.286   25.069 35.88715 28.57625 
1 1 1    0  -31    4 o   87.127   14.172  103.047   29.773  126.288   37.196   61.603   49.671   95.576   16.161   65.969   23.690 29.60667 28.67745 
1 1 1    0  -31    5 o  196.772   15.510  528.862   75.594  528.862   75.594   0.0000   0.0000  196.772   15.510  ?   ?  0.000000 15.50992 
1 1 1    0  -31    6 o   95.521   13.863  124.997   32.101  137.735   40.027  102.035   53.742   98.357   16.906   79.184   24.594 19.17343 29.84378 
1 1 1    0  -31    7 o   60.267   22.332   53.864   44.649   0.0000   0.0000   53.864   44.649  ?   ?    60.267   22.332 0.000000 22.33211 
1 1 1    0  -31    8 o  108.174   13.718  162.709   36.223  180.085   45.292  131.865   60.342  111.162   16.844   85.776   25.953 25.38599 30.94007 
1 1 1    0  -31    9 o   58.127   20.678   53.373   37.760   17.582   74.241   65.863   43.856   54.265   24.747   62.881   22.294 -8.616108 33.30814 
1 1 1    0  -31   10 o   44.061   18.669   17.684   35.572  132.807   75.882 -14.7391   40.270   77.419   29.029   37.966   17.640 39.45204 33.96826 
1 1 1    0  -31   11 f  180.943   15.781  485.883   70.592  815.207  117.283  298.803   88.397  220.158   21.611  118.698   29.851 101.4594 36.85327 
1 1 1    0  -31   12 o   73.755   22.701  102.119   45.906   66.515   91.181  114.207   53.130   58.977   27.093   75.375   24.577 -16.39847 36.57921 
1 1 1    0  -30    1 o  164.292   11.417  346.598   46.549  376.985   57.493  288.771   79.311  170.398   13.625  144.111   22.797 26.28667 26.55876 
1 1 1    0  -30    2 o   55.351   16.242   41.146   23.916   42.287   29.284   38.862   41.441   56.633   18.228   57.968   21.508 -1.334801 28.19320 
1 1 1    0  -30    3 o  120.666   15.994  194.767   47.006  246.443   76.019  162.776   59.812  130.932   24.139  106.425   23.163 24.50697 33.45525 
1 1 1    0  -30    4 o  236.734   12.111  726.875   71.354  811.159   88.582  571.136  120.413  248.269   14.349  198.382   24.852 49.88731 28.69676 
1 1 1    0  -30    5 o  229.564   12.025  686.299   68.695  781.125   85.490  513.494  115.406  243.051   14.146  185.706   25.563 57.34451 29.21664 
1 1 1    0  -30    6 o   66.748   22.378   64.306   43.956   0.0000   0.0000   64.306   43.956  ?   ?    66.748   22.378 0.000000 22.37766 
1 1 1    0  -30    7 o   53.983   20.100   36.950   36.255   36.950   36.255   0.0000   0.0000   53.983   20.100  ?   ?  0.000000 20.09984 
1 1 1    0  -30    8 o   79.329   15.426   88.504   29.458   88.244   37.964   88.897   46.697   76.708   19.712   75.179   22.850 1.529251 30.17801 
1 1 1    0  -30    9 o   49.966   16.832   34.868   24.870   36.305   32.447   32.821   38.722   51.819   19.068   51.791   20.389 0.2745438E-01 27.91583 
1 1 1    0  -30   10 o   33.563   14.697   0.0858   23.496  -5.6935   31.064   7.8120   35.918   36.268   16.326   42.288   18.349 -6.020016 24.56072 
1 1 1    0  -30   11 o   35.516   16.147  -7.8317   31.301   15.034   77.115 -12.3421   34.250   54.398   24.962   36.000   16.563 18.39797 29.95722 
1 1 1    0  -30   12 o  117.129   18.737  213.572   52.958  266.385   97.631  191.555   63.038  105.623   33.205  102.978   24.808 2.645706 41.44841 
1 1 1    0  -30   13 o   84.902   21.682  125.120   46.132  252.574   94.184   84.891   52.914  100.311   32.723   66.308   24.357 34.00270 40.79263 
1 1 1    0  -29    1 o   55.446   15.386   40.999   22.053   26.218   26.584   73.624   39.496   48.127   17.326   73.303   20.679 -25.17536 26.97764 
1 1 1    0  -29    2 o  174.480   11.011  389.085   47.729  370.879   58.991  423.592   81.214  169.092   14.099  178.474   18.491 -9.382050 23.25265 
1 1 1    0  -29    3 o  159.728   11.173  327.040   44.286  324.211   55.012  332.248   74.650  157.833   14.106  157.020   19.455 0.8129578 24.03071 
1 1 1    0  -29    4 o  245.669   11.935  774.268   73.219  849.700   90.914  635.031  123.517  255.523   14.305  213.508   23.559 42.01468 27.56204 
1 1 1    0  -29    5 o  183.311   20.323  460.557   91.465   0.0000   0.0000  460.557   91.465  ?   ?   183.311   20.323 0.000000 20.32300 
1 1 1    0  -29    6 o  227.388   14.823  682.236   83.712  682.236   83.712   0.0000   0.0000  227.388   14.823  ?   ?  0.000000 14.82349 
1 1 1    0  -29    7 o  143.000   11.791  266.655   41.729  277.428   52.911  248.929   67.873  144.087   14.921  132.138   21.293 11.94881 26.00078 
1 1 1    0  -29    8 o  118.905   12.912  187.579   37.722  211.677   48.096  149.063   60.806  124.647   15.807   98.456   24.757 26.19123 29.37271 
1 1 1    0  -29    9 o   53.887   17.266   40.296   26.297   39.586   37.200   41.005   37.178   55.262   20.403   55.837   20.431 -0.5751266 28.87382 
1 1 1    0  -29   10 o   56.808   16.845   46.258   25.609   47.644   34.313   44.517   38.476   57.702   19.769   56.841   20.787 0.8605537 28.68632 
1 1 1    0  -29   11 o   80.014   15.600   91.380   30.051  110.581   40.498   67.854   44.827   85.452   19.419   65.610   22.590 19.84203 29.78957 
1 1 1    0  -29   12 o   64.259   20.535   65.438   37.215   25.173   81.082   76.185   41.888   57.857   26.178   68.343   21.780 -10.48604 34.05405 
1 1 1    0  -29   13 o   71.864   20.923   85.177   39.827   23.523   85.724  102.148   44.975   56.917   26.192   77.725   22.116 -20.80773 34.28030 
1 1 1    0  -29   14 o   80.847   20.365  107.848   41.094  234.583   89.671   74.156   46.235  100.844   31.838   64.665   22.895 36.17973 39.21511 
1 1 1    0  -29   15 o   58.974   20.899   59.690   38.534  153.779   92.076   39.713   42.428   75.898   30.901   51.692   21.003 24.20638 37.36311 
1 1 1    0  -28    1 o   88.871   15.449  104.428   33.042  104.428   33.042   0.0000   0.0000   88.871   15.449  ?   ?  0.000000 15.44932 
1 1 1    0  -28    2 o   63.248   14.572   53.401   22.541   32.665   27.671   94.299   38.862   51.810   17.753   83.250   19.099 -31.44008 26.07577 
1 1 1    0  -28    3 o  145.440   11.194  270.543   40.342  245.840   50.370  314.741   67.374  137.328   14.928  154.284   17.815 -16.95622 23.24265 
1 1 1    0  -28    4 o  381.621   15.841  1890.96  150.960  1794.08  185.511  2080.88  259.732  366.735   20.336  385.632   27.144 -18.89661 33.91735 
1 1 1    0  -28    5 o  264.519   12.813  898.298   84.636  850.310  104.383  990.394  144.605  254.608   16.506  270.349   21.600 -15.74129 27.18478 
1 1 1    0  -28    6 o  229.990   15.226  691.902   86.952  758.331  131.074  639.691  116.203  234.573   22.658  216.034   21.840 18.53917 31.47021 
1 1 1    0  -28    7 o  203.328   11.747  532.781   59.393  523.490   74.336  549.180   98.764  199.590   15.025  200.733   19.968 -1.143204 24.98919 
1 1 1    0  -28    8 o  146.109   11.476  276.466   41.534  277.303   53.132  275.151   66.600  144.575   14.932  141.277   19.389 3.298035 24.47226 
1 1 1    0  -28    9 o  171.491   11.760  382.704   50.058  365.284   63.754  410.707   80.833  164.986   15.662  172.193   19.121 -7.207138 24.71684 
1 1 1    0  -28   10 o  132.801   20.045  251.439   64.407  251.439   64.407   0.0000   0.0000  132.801   20.045  ?   ?  0.000000 20.04548 
1 1 1    0  -28   11 o   92.933   13.727  117.161   30.897  103.577   41.484  134.083   46.301   83.687   20.102   95.582   20.039 -11.89552 28.38413 
1 1 1    0  -28   12 f   56.398   16.889   45.649   25.649   39.456   35.800   52.182   36.766   54.258   20.018   59.803   20.464 -5.544910 28.62702 
1 1 1    0  -28   13 o   66.823   16.805   65.632   28.015   82.335   39.311   48.394   39.936   72.510   20.692   57.655   21.163 14.85484 29.59765 
1 1 1    0  -28   14 o  109.734   18.273  180.474   48.313  143.021   93.801  193.996   56.364   80.576   31.730  110.828   21.137 -30.25293 38.12556 
1 1 1    0  -28   15 o   46.939   18.523   27.760   32.030  102.769   86.621   15.880   34.474   70.234   29.411   43.515   18.405 26.71832 34.69516 
1 1 1    0  -28   16 o   59.199   20.365   57.958   36.426  106.957   89.615   48.260   39.869   68.853   29.417   55.142   20.959 13.71123 36.12006 
1 1 1    0  -27    1 o  112.199   11.067  160.975   30.605  110.916   37.768  256.712   52.230   91.279   17.200  140.725   15.099 -49.44666 22.88692 
1 1 1    0  -27    2 o  422.173   16.659  2303.07  175.622  2321.30  215.540  2267.04  302.933  420.168   20.543  402.654   30.351 17.51337 36.64917 
1 1 1    0  -27    3 o  166.438   18.414  365.058   75.250  365.058   75.250   0.0000   0.0000  166.438   18.414  ?   ?  0.000000 18.41356 
1 1 1    0  -27    4 o  135.663   14.690  239.152   48.973  238.527   80.352  239.522   61.771  130.671   25.540  134.079   18.979 -3.406982 31.81981 
1 1 1    0  -27    5 o  148.442   11.198  281.667   41.205  297.003   51.699  254.961   68.225  151.556   13.812  137.519   20.493 14.03717 24.71281 
1 1 1    0  -27    6 o  170.327   11.241  370.882   47.542  356.216   59.707  396.289   78.585  165.600   14.587  172.771   18.502 -7.170456 23.56097 
1 1 1    0  -27    7 o  315.646   13.704  1283.58  108.017  1291.32  133.714  1269.05  183.256  313.481   17.146  303.181   24.412 10.30035 29.83164 
1 1 1    0  -27    8 o  121.397   15.365  194.715   45.537  220.839   81.376  182.805   54.946  122.898   27.232  115.580   19.746 7.317398 33.63766 
1 1 1    0  -27    9 o  125.212   11.941  203.263   36.885  176.160   48.008  242.313   57.625  114.161   17.389  134.077   17.639 -19.91599 24.76959 
1 1 1    0  -27   10 o  109.638   12.451  157.443   33.484  118.529   44.150  210.137   51.375   91.712   19.853  124.585   16.954 -32.87283 26.10681 
1 1 1    0  -27   11 o   61.384   16.590   52.392   26.037   52.560   35.160   52.188   38.743   61.585   19.989   61.787   21.007 -0.2027740 28.99752 
1 1 1    0  -27   12 o   29.806   13.474  -9.1731   21.424 -18.1614   32.461  -2.2364   28.517   35.109   16.142   36.869   16.167 -1.760384 22.84597 
1 1 1    0  -27   13 o  101.616   13.340  139.370   33.033  164.563   45.260  110.654   48.322  107.925   17.384   84.837   22.457 23.08800 28.39948 
1 1 1    0  -27   14 o  138.682   12.310  257.663   42.189  258.024   55.867  257.183   64.358  134.842   16.967  131.453   20.256 3.389496 26.42335 
1 1 1    0  -27   15 f   73.391   19.648   83.220   36.725  117.582   85.144   75.365   40.707   77.624   30.331   68.799   21.410 8.824585 37.12619 
1 1 1    0  -27   16 o   93.194   18.398  131.858   41.296  248.730   91.531  101.989   46.273  109.427   31.679   77.938   22.513 31.48943 38.86395 
1 1 1    0  -27   17 o   59.163   19.825   56.126   34.499  199.352   90.628   31.854   37.308   92.159   32.098   49.476   19.838 42.68285 37.73338 
1 1 1    0  -27   18 o   40.266   17.177   12.094   30.470  -9.1093   90.039   14.836   32.380   51.825   24.761   41.856   17.778 9.968891 30.48186 
1 1 1    0  -26    1 o  156.693   10.296  311.432   40.061  217.108   49.223  496.498   68.948  129.298   15.557  196.785   14.125 -67.48706 21.01260 
1 1 1    0  -26    2 o  159.489   10.540  322.968   41.741  311.732   51.913  343.517   70.204  155.861   13.470  162.175   17.618 -6.314590 22.17789 
1 1 1    0  -26    3 o  313.072   24.579  1317.52  190.616   0.0000   0.0000  1317.52  190.616  ?   ?   313.072   24.579 0.000000 24.57931 
1 1 1    0  -26    4 o  343.896   18.002  1539.37  154.057  1539.37  154.057   0.0000   0.0000  343.896   18.002  ?   ?  0.000000 18.00187 
1 1 1    0  -26    5 o  186.826   13.233  447.744   61.338  466.323   85.866  428.384   87.652  188.351   18.494  179.778   19.855 8.572220 27.13452 
1 1 1    0  -26    6 o  146.306   10.848  272.969   39.352  262.798   49.972  289.572   63.846  142.473   14.236  148.292   17.584 -5.819870 22.62431 
1 1 1    0  -26    7 o  185.161   11.203  437.325   51.558  427.679   64.968  453.736   84.738  181.846   14.425  185.292   18.563 -3.446640 23.50919 
1 1 1    0  -26    8 o   90.681   13.096  107.372   28.795   55.333   37.661  180.614   44.679   64.668   20.656  117.155   15.664 -52.48696 25.92373 
1 1 1    0  -26    9 o  195.386   15.857  499.695   76.703  334.575  117.813  621.180  101.054  148.886   32.592  215.933   18.932 -67.04657 37.69133 
1 1 1    0  -26   10 o   97.283   12.611  123.517   29.915  131.711   40.447  113.622   44.449   98.882   16.992   90.441   20.192 8.441048 26.39037 
1 1 1    0  -26   11 o  149.717   11.721  289.670   43.473  276.191   56.756  308.806   67.624  144.083   16.047  151.104   18.294 -7.021149 24.33473 
1 1 1    0  -26   12 o   84.989   13.636   96.336   27.962  120.184   38.706   70.303   40.440   93.558   17.201   70.379   21.236 23.17832 27.32823 
1 1 1    0  -26   13 f   88.842   21.844  115.828   48.124  115.828   48.124   0.0000   0.0000   88.842   21.844  ?   ?  0.000000 21.84448 
1 1 1    0  -26   14 o   51.066   16.595   35.310   24.233   40.211   35.450   31.012   33.201   55.444   20.002   51.031   19.189 4.413296 27.71756 
1 1 1    0  -26   15 f   56.904   16.780   46.116   25.471   29.324   37.119   61.059   35.016   50.961   19.995   64.295   19.833 -13.33366 28.16219 
1 1 1    0  -26   16 o   72.676   16.042   75.926   28.335   75.116   40.984   76.669   39.219   69.346   21.467   70.332   20.843 -0.9856796 29.92106 
1 1 1    0  -26   17 o  140.884   16.064  283.523   55.504  361.250  106.073  254.217   65.132  136.673   31.695  127.841   21.141 8.831764 38.09886 
1 1 1    0  -26   18 o   41.999   17.367   15.966   29.665   18.159   86.641   15.674   31.574   56.756   26.195   42.625   17.795 14.13018 31.66762 
1 1 1    0  -26   19 o   77.097   20.398   97.810   39.879   75.210   96.761  102.435   43.770   64.332   28.899   77.575   21.729 -13.24369 36.15601 
1 1 1    0  -25    1 o   91.364   10.994  106.947   24.579  102.329   30.729  115.147   40.950   88.548   14.391   93.000   18.285 -4.452202 23.26873 
1 1 1    0  -25    2 o  271.693   22.150  974.192  148.973   0.0000   0.0000  974.192  148.973  ?   ?   271.693   22.150 0.000000 22.15012 
1 1 1    0  -25    3 o  303.432   16.120  1184.97  121.711  1184.97  121.711   0.0000   0.0000  303.432   16.120  ?   ?  0.000000 16.12045 
1 1 1    0  -25    4 o  210.600   11.494  563.573   60.217  511.299   74.628  661.108  101.940  199.299   15.107  225.266   18.279 -25.96667 23.71431 
1 1 1    0  -25    5 o  143.327   10.720  261.320   38.090  258.699   48.134  265.711   62.304  141.760   13.771  142.243   17.939 -0.4830322 22.61518 
1 1 1    0  -25    6 o  191.100   18.975  479.939   89.356  479.939   89.356   0.0000   0.0000  191.100   18.975  ?   ?  0.000000 18.97548 
1 1 1    0  -25    7 o  194.317   10.933  480.097   52.834  506.522   66.667  435.471   86.635  198.680   13.517  181.555   19.410 17.12468 23.65281 
1 1 1    0  -25    8 o  142.612   10.955  259.492   38.714  252.104   49.589  271.024   61.953  139.461   14.449  143.399   17.675 -3.937561 22.82910 
1 1 1    0  -25    9 o  290.159   12.638  1075.28   91.576  1141.76  114.095  954.926  153.526  297.005   15.437  265.545   23.391 31.46069 28.02560 
1 1 1    0  -25   10 o  321.723   13.757  1330.21  110.524  1367.24  137.231  1261.83  186.459  323.324   17.057  303.011   24.861 20.31396 30.14981 
1 1 1    0  -25   11 o  150.702   14.420  295.970   53.604  337.160   93.060  275.517   65.576  155.019   24.881  143.315   18.775 11.70424 31.17010 
1 1 1    0  -25   12 o  192.333   11.571  475.294   55.314  493.718   71.080  447.005   88.077  194.348   14.756  181.732   19.725 12.61540 24.63336 
1 1 1    0  -25   13 o   60.369   16.005   49.776   24.519   40.229   35.299   58.677   34.083   56.663   20.011   65.162   19.458 -8.498875 27.91140 
1 1 1    0  -25   14 o  119.538   12.585  187.464   37.003  200.634   49.311  170.490   55.980  121.599   16.679  109.298   21.276 12.30134 27.03389 
1 1 1    0  -25   15 o   81.109   14.871   89.832   29.010   67.794   41.034  111.854   41.020   68.430   21.529   88.538   19.113 -20.10802 28.78880 
1 1 1    0  -25   16 o   88.714   14.599  107.786   31.216   55.862   44.090  159.976   44.203   62.821   22.345  106.831   17.149 -44.00965 28.16730 
1 1 1    0  -25   17 o   94.338   14.241  122.446   32.504  129.096   46.495  116.089   45.457   92.485   20.654   87.230   21.099 5.255058 29.52486 
1 1 1    0  -25   18 o   79.208   19.160   95.098   37.484  167.139   91.112   80.420   41.126   90.267   32.120   71.327   21.391 18.94028 38.59131 
1 1 1    0  -25   19 o  148.979   16.334  319.823   59.770  356.834  112.722  305.347   70.496  129.498   34.309  140.146   20.772 -10.64793 40.10734 
1 1 1    0  -25   20 o   61.596   20.244   61.121   36.022   25.082   97.576   66.808   38.759   58.722   27.341   63.777   21.001 -5.055218 34.47570 
1 1 1    0  -25   21 o   63.725   28.805   75.875   97.897   75.875   97.897   0.0000   0.0000   63.725   28.805  ?   ?  0.000000 28.80537 
1 1 1    0  -24    1 o  120.266   10.283  183.608   30.584  121.481   37.999  297.884   51.536   96.230   16.401  152.599   13.669 -56.36839 21.35037 
1 1 1    0  -24    2 f  390.437   15.233  1945.02  148.517  1928.07  182.264  1978.52  256.207  386.516   18.884  384.459   26.855 2.057220 32.82957 
1 1 1    0  -24    3 o   86.858   15.022   98.854   31.404   46.091   51.720  129.668   39.524   65.060   24.050   99.365   16.508 -34.30506 29.17033 
1 1 1    0  -24    4 o  256.570   11.954  833.981   76.591  810.341   94.605  878.949  130.479  251.391   15.141  259.189   20.322 -7.797821 25.34215 
1 1 1    0  -24    5 o  166.948   10.507  353.440   43.582  340.853   54.647  375.434   72.239  163.108   13.539  169.932   17.263 -6.823746 21.93893 
1 1 1    0  -24    6 o  124.204   10.690  196.435   32.834  176.214   41.909  228.570   52.833  116.553   14.728  132.456   16.318 -15.90353 21.98155 
1 1 1    0  -24    7 o  123.651   10.539  194.693   32.232  224.020   41.433  149.742   51.296  132.147   12.713  105.503   20.206 26.64390 23.87231 
1 1 1    0  -24    8 o  218.560   13.817  612.399   75.024  580.574  105.678  644.737  106.528  209.573   20.454  221.508   19.456 -11.93440 28.22902 
1 1 1    0  -24    9 o  191.095   11.179  464.680   53.113  470.780   67.180  454.511   86.739  191.275   14.165  185.773   18.963 5.501587 23.66993 
1 1 1    0  -24   10 o  443.151   17.644  2554.61  195.256  2485.15  240.270  2689.69  335.059  431.384   22.381  436.189   30.962 -4.804993 38.20392 
1 1 1    0  -24   11 o  216.604   12.417  600.589   66.883  449.411   83.570  869.948  111.550  184.518   18.381  257.887   17.424 -73.36832 25.32725 
1 1 1    0  -24   12 o   99.575   16.400  131.931   39.359  167.543   79.195  120.250   45.356  107.072   28.933   93.687   19.996 13.38490 35.17006 
1 1 1    0  -24   13 o  100.498   12.863  131.648   31.541   82.874   42.815  189.533   46.643   77.156   21.447  119.648   16.013 -42.49204 26.76559 
1 1 1    0  -24   14 o  256.899   12.780  850.829   81.985  843.575  103.208  863.235  134.968  252.766   16.440  250.690   21.776 2.075638 27.28518 
1 1 1    0  -24   15 o   99.363   12.999  130.001   31.482  144.997   44.663  115.193   44.382  102.741   18.068   90.366   20.178 12.37447 27.08483 
1 1 1    0  -24   16 o   95.214   22.301  132.619   52.094  132.619   52.094   0.0000   0.0000   95.214   22.301  ?   ?  0.000000 22.30137 
1 1 1    0  -24   17 o   51.223   16.480   35.491   23.938   43.642   37.088   29.670   31.341   57.362   20.484   50.040   18.677 7.321781 27.72061 
1 1 1    0  -24   18 o   82.090   14.967   93.432   29.552  117.217   44.162   74.145   39.768   88.777   20.355   70.220   21.030 18.55684 29.26704 
1 1 1    0  -24   19 o   77.517   15.949   85.748   29.842   74.540   44.960   94.574   39.899   68.869   22.616   78.745   20.194 -9.875656 30.31916 
1 1 1    0  -24   20 o  129.025   16.616  239.320   52.292  289.495  108.246  224.045   59.723  115.967   34.688  120.868   20.521 -4.901688 40.30301 
1 1 1    0  -24   21 o  117.644   17.261  204.383   49.202  279.066  105.978  183.863   55.551  110.224   34.586  107.077   21.522 3.147011 40.73529 
1 1 1    0  -24   22 o  133.216   17.615  267.335   57.162  252.898  116.129  271.952   65.668   94.889   35.842  130.097   20.922 -35.20849 41.50133 
1 1 1    0  -23    1 o  107.785   17.204  151.860   44.749   0.0000   0.0000  151.860   44.749  ?   ?   107.785   17.204 0.000000 17.20422 
1 1 1    0  -23    2 o  349.172   14.266  1548.29  124.396  1394.50  152.393  1855.39  215.348  328.959   18.628  376.602   23.009 -47.64212 29.60412 
1 1 1    0  -23    3 o   59.630   12.581   46.668   18.145   29.650   23.250   73.178   29.019   49.222   16.268   74.339   16.098 -25.11684 22.88654 
1 1 1    0  -23    4 o  136.819   10.010  237.123   33.964  237.665   42.808  236.201   55.799  136.383   12.716  134.785   16.953 1.597748 21.19198 
1 1 1    0  -23    5 f  151.742   13.018  294.253   48.852  298.447   75.479  291.229   64.086  150.304   20.656  149.598   17.485 0.7055054 27.06221 
1 1 1    0  -23    6 o  211.442   11.203  566.837   58.944  555.813   73.474  586.745   98.735  208.412   14.202  212.256   18.823 -3.844009 23.57981 
1 1 1    0  -23    7 f  189.644   10.928  456.161   51.533  449.925   64.611  467.065   85.434  187.442   13.903  189.306   18.301 -1.864502 22.98250 
1 1 1    0  -23    8 o  296.938   13.322  1122.31   98.783  1054.67  122.004  1251.04  168.316  285.585   17.188  307.790   22.045 -22.20453 27.95332 
1 1 1    0  -23    9 o   53.538   18.437   34.366   29.859   34.366   29.859   0.0000   0.0000   53.538   18.437  ?   ?  0.000000 18.43667 
1 1 1    0  -23   10 o  225.285   11.263  643.337   63.366  696.570   79.859  552.854  104.116  233.178   13.776  204.366   20.686 28.81247 24.85341 
1 1 1    0  -23   11 o  143.794   10.783  263.368   38.438  291.965   50.362  223.467   59.490  150.615   13.535  129.704   18.924 20.91019 23.26620 
1 1 1    0  -23   12 o  270.854   12.609  935.602   85.286  930.713  106.714  944.244  141.891  268.001   16.019  266.106   21.537 1.895569 26.84116 
1 1 1    0  -23   13 f  161.404   11.643  333.287   46.611  312.479   60.950  362.598   72.340  154.608   16.019  165.850   17.742 -11.24236 23.90368 
1 1 1    0  -23   14 o   83.935   17.969   95.641   36.526   37.008   81.415  110.417   40.871   69.703   28.793   90.047   18.783 -20.34454 34.37775 
1 1 1    0  -23   15 o  107.120   12.514  149.154   32.843  165.796   45.949  131.772   46.960  111.242   17.087   97.780   19.909 13.46188 26.23627 
1 1 1    0  -23   16 o  161.846   12.030  338.736   48.271  315.905   63.606  369.744   74.127  153.769   16.840  165.578   18.230 -11.80898 24.81729 
1 1 1    0  -23   17 o   41.935   17.972   3.2536   33.634   3.2536   33.634   0.0000   0.0000   41.935   17.972  ?   ?  0.000000 17.97198 
1 1 1    0  -23   18 f  127.446   12.360  213.607   38.842  232.769   54.237  193.431   55.652  130.237   17.089  116.834   19.781 13.40331 26.14051 
1 1 1    0  -23   19 o   79.243   15.786   87.541   30.140   25.778   44.535  139.736   40.941   52.560   21.455   99.868   17.027 -47.30816 27.39075 
1 1 1    0  -23   20 o   54.053   16.949   41.357   25.456   14.607   40.517   58.802   32.720   47.150   19.949   63.127   19.114 -15.97717 27.62752 
1 1 1    0  -23   21 o  155.694   16.296  343.196   62.420  357.165  118.224  337.796   73.500  131.607   35.261  150.059   20.121 -18.45224 40.59819 
1 1 1    0  -23   22 o  176.515   16.703  449.789   72.750  448.185  129.503  450.529   87.937  143.377   36.172  170.096   21.160 -26.71933 41.90668 
1 1 1    0  -23   23 o   58.271   19.883   53.309   34.706   15.724  100.881   58.355   36.962   58.307   27.360   60.390   20.519 -2.083176 34.19908 
1 1 1    0  -22    1 o  211.267   18.955  574.738   98.938  574.738   98.938   0.0000   0.0000  211.267   18.955  ?   ?  0.000000 18.95496 
1 1 1    0  -22    2 o  100.878   10.002  129.199   24.863  124.865   31.592  136.253   40.300   98.554   13.166  102.296   16.325 -3.741600 20.97259 
1 1 1    0  -22    3 o  115.447   10.089  168.963   28.793  139.434   36.268  219.304   47.354  103.920   14.359  130.645   14.774 -26.72563 20.60273 
1 1 1    0  -22    4 o  267.592   12.219  905.045   81.651  835.587  100.568  1039.39  139.865  255.610   15.833  283.315   19.895 -27.70563 25.42672 
1 1 1    0  -22    5 o  127.345   10.167  205.566   32.062  191.517   40.607  228.824   52.246  122.168   13.538  132.996   16.056 -10.82843 21.00190 
1 1 1    0  -22    6 o  310.005   17.152  1235.71  132.263  1139.64  190.005  1326.02  184.226  292.017   26.339  317.277   23.418 -25.25961 35.24403 
1 1 1    0  -22    7 o  232.651   11.763  686.474   68.120  625.513   84.394  800.448  115.395  220.823   15.401  248.405   18.741 -27.58264 24.25690 
1 1 1    0  -22    8 o  182.992   10.790  424.413   49.087  408.208   61.736  452.265   80.938  178.562   13.956  186.700   17.567 -8.138351 22.43589 
1 1 1    0  -22    9 o  284.980   12.560  1030.77   89.386  1058.16  110.855  979.865  151.126  287.131   15.518  272.288   22.425 14.84360 27.27103 
1 1 1    0  -22   10 o  123.148   11.229  193.470   34.151  180.097   44.057  213.603   54.056  117.685   15.358  127.652   17.412 -9.966911 23.21705 
1 1 1    0  -22   11 o  341.456   17.765  1511.63  150.959  1514.19  213.918  1509.09  213.061  335.048   25.765  334.543   25.700 0.5045776 36.39128 
1 1 1    0  -22   12 o  389.563   15.840  1951.84  154.090  1951.16  190.171  1953.15  262.927  385.908   19.800  377.294   28.108 8.614288 34.38196 
1 1 1    0  -22   13 o  293.398   13.342  1099.16   97.754  1083.97  121.910  1126.52  163.600  288.954   16.969  290.249   22.754 -1.294128 28.38489 
1 1 1    0  -22   14 o  220.460   11.520  619.406   63.202  670.320   80.840  539.354  101.366  228.155   14.260  201.329   20.446 26.82629 24.92750 
1 1 1    0  -22   15 o   82.153   18.050   91.463   36.017   25.526   83.693  106.451   39.901   68.252   28.762   88.584   18.628 -20.33179 34.26786 
1 1 1    0  -22   16 o  247.062   12.878  785.244   79.175  770.533  100.539  809.263  128.468  242.314   16.718  244.801   21.225 -2.487061 27.01823 
1 1 1    0  -22   17 o   99.834   13.144  130.566   31.972  152.867   46.357  110.335   44.153  106.102   18.148   88.956   20.322 17.14645 27.24559 
1 1 1    0  -22   18 o   89.519   14.563  107.175   31.436   62.698   45.511  147.758   43.473   67.670   22.770  104.160   17.322 -36.48982 28.60933 
1 1 1    0  -22   19 o  170.822   21.160  412.271   88.333  412.271   88.333   0.0000   0.0000  170.822   21.160  ?   ?  0.000000 21.16026 
1 1 1    0  -22   20 o   85.244   15.017   99.541   30.798   79.592   46.128  115.587   41.370   73.020   22.802   89.807   19.038 -16.78725 29.70493 
1 1 1    0  -22   21 o   65.338   17.290   61.487   28.650   1.2377   44.574  103.900   37.399   45.549   20.085   84.769   18.210 -39.22040 27.11117 
1 1 1    0  -22   22 o  105.881   17.770  162.165   45.320  184.642  107.945  157.355   49.934   92.896   34.664  102.214   20.279 -9.317787 40.16000 
1 1 1    0  -22   23 o   90.638   19.778  125.896   43.507   20.628  106.371  147.044   47.678   61.962   28.747   97.802   20.191 -35.83995 35.12950 
1 1 1    0  -22   24 o  188.633   17.876  527.088   83.198  427.604  145.659  575.261  101.360  124.635   40.696  190.347   21.713 -65.71207 46.12565 
1 1 1    0  -22   25 o   58.358   20.468   54.725   36.881   0.0000   0.0000   54.725   36.881  ?   ?    58.358   20.468 0.000000 20.46758 
1 1 1    0  -21    1 o   57.447   11.885   43.027   16.487   40.765   21.115   46.561   26.389   55.841   14.875   59.825   16.912 -3.983089 22.52316 
1 1 1    0  -21    2 o  164.685   10.106  341.901   41.360  321.975   51.344  378.727   69.801  159.285   13.022  172.067   16.445 -12.78244 20.97649 
1 1 1    0  -21    3 o   76.745   16.984   77.734   31.689   77.734   31.689   0.0000   0.0000   76.745   16.984  ?   ?  0.000000 16.98414 
1 1 1    0  -21    4 o  218.754   10.774  602.345   58.856  584.611   72.942  635.435   99.636  214.563   13.685  222.373   18.099 -7.810379 22.69069 
1 1 1    0  -21    5 o  383.724   15.567  1872.29  149.166  1778.26  183.098  2057.85  257.221  371.414   19.813  395.062   26.222 -23.64804 32.86547 
1 1 1    0  -21    6 o  252.696   11.910  806.505   75.155  790.839   92.883  836.208  127.897  248.969   15.010  253.811   20.350 -4.841675 25.28688 
1 1 1    0  -21    7 o   92.844   10.912  110.180   24.817  101.539   32.364  122.514   38.665   88.108   15.262   96.638   16.622 -8.529831 22.56558 
1 1 1    0  -21    8 o  119.573   13.891  183.955   40.704  136.914   66.999  211.475   51.246   99.786   26.457  127.602   16.467 -27.81615 31.16314 
1 1 1    0  -21    9 o  205.954   10.913  537.089   55.927  554.140   70.244  507.566   92.433  208.423   13.570  197.435   18.982 10.98813 23.33362 
1 1 1    0  -21   10 o  101.909   11.115  132.766   27.826  115.753   36.609  156.045   42.823   93.823   16.211  109.287   16.180 -15.46417 22.90423 
1 1 1    0  -21   11 o  184.592   10.614  431.806   48.722  461.116   62.195  385.248   78.386  190.030   13.188  171.707   18.577 18.32275 22.78241 
1 1 1    0  -21   12 o  201.485   19.396  531.774   96.384  531.774   96.384   0.0000   0.0000  201.485   19.396  ?   ?  0.000000 19.39583 
1 1 1    0  -21   13 o  151.197   10.467  290.323   39.278  327.019   51.935  241.281   60.038  159.767   13.134  135.404   18.218 24.36304 22.45891 
1 1 1    0  -21   14 o  368.080   14.952  1737.27  137.432  1787.82  170.281  1642.81  232.769  370.911   18.384  346.919   27.083 23.99234 32.73358 
1 1 1    0  -21   15 o  183.117   10.947  426.574   49.828  455.136   65.105  386.187   77.419  188.100   13.960  171.331   18.382 16.76924 23.08235 
1 1 1    0  -21   16 o   48.970   15.511   30.644   21.271   58.123   35.629   15.425   26.515   65.946   19.941   43.185   16.912 22.76130 26.14625 
1 1 1    0  -21   17 o  314.713   14.206  1275.59  111.645  1262.54  139.799  1298.59  185.505  309.672   18.157  307.899   24.325 1.773010 30.35432 
1 1 1    0  -21   18 o  128.031   12.071  211.704   38.138  213.663   53.500  209.681   54.380  126.447   17.404  124.996   17.936 1.451172 24.99219 
1 1 1    0  -21   19 o  198.207   11.874  506.775   58.501  519.226   76.855  489.623   90.204  198.334   15.645  189.952   19.284 8.382370 24.83192 
1 1 1    0  -21   20 f  209.777   21.964  620.101  113.351  620.101  113.351   0.0000   0.0000  209.777   21.964  ?   ?  0.000000 21.96357 
1 1 1    0  -21   21 o   65.797   16.034   60.312   26.104   63.650   42.255   58.252   33.197   66.695   21.926   64.058   19.221 2.637276 29.15777 
1 1 1    0  -21   22 o  182.467   12.240  439.565   55.449  462.248   74.803  411.899   82.612  183.150   16.534  169.367   19.913 13.78281 25.88217 
1 1 1    0  -21   23 o  133.818   12.717  240.423   41.984  268.439   61.023  215.241   57.854  136.591   18.355  120.834   19.863 15.75655 27.04550 
1 1 1    0  -21   24 o  153.289   16.884  335.902   63.557  299.707  124.127  348.763   73.993  113.228   37.597  152.678   19.879 -39.44965 42.52831 
1 1 1    0  -21   25 o  102.744   18.239  157.716   45.081  249.616  118.557  142.183   48.742   99.469   36.471   94.740   21.139 4.729233 42.15445 
1 1 1    0  -21   26 o  114.904   17.729  198.157   49.233  369.391  123.343  165.705   53.696  121.595   37.175  100.354   22.031 21.24149 43.21250 
1 1 1    0  -20    1 o  398.397   15.674  2001.81  155.934  1900.43  191.163  2203.41  269.568  386.520   19.873  413.503   26.242 -26.98334 32.91737 
1 1 1    0  -20    2 o  137.536   9.6860  238.353   33.054  249.307   41.460  219.246   54.757  140.351   11.943  130.553   17.216 9.798782 20.95283 
1 1 1    0  -20    3 o  110.751   9.6452  155.024   26.409  151.291   33.515  161.138   42.892  108.939   12.549  111.835   15.798 -2.896286 20.17602 
1 1 1    0  -20    4 o  272.029   21.535  953.631  145.092  953.631  145.092   0.0000   0.0000  272.029   21.535  ?   ?  0.000000 21.53482 
1 1 1    0  -20    5 o  344.628   14.419  1502.33  124.093  1418.23  152.470  1667.35  213.574  333.019   18.406  358.271   24.011 -25.25183 30.25377 
1 1 1    0  -20    6 o  241.322   11.960  734.363   72.076  655.244   89.005  885.087  122.848  226.595   15.829  262.391   18.875 -35.79605 24.63358 
1 1 1    0  -20    7 o  174.228   9.9472  383.068   43.099  407.865   54.508  341.709   70.396  179.319   12.246  162.650   17.613 16.66911 21.45206 
1 1 1    0  -20    8 o  168.105   10.158  357.069   42.440  362.803   53.677  347.504   69.319  168.868   12.825  164.042   17.176 4.825485 21.43602 
1 1 1    0  -20    9 o  163.776   12.842  341.656   52.100  375.897   82.313  318.768   67.297  169.634   19.804  156.836   17.480 12.79733 26.41539 
1 1 1    0  -20   10 o  256.681   12.235  833.845   78.426  792.577   97.369  910.072  132.331  248.686   15.760  264.429   20.193 -15.74271 25.61532 
1 1 1    0  -20   11 o  312.541   13.161  1239.83  102.722  1258.93  127.268  1204.16  173.995  313.174   16.330  302.094   23.243 11.08008 28.40607 
1 1 1    0  -20   12 o   88.034   11.731   99.745   25.148   95.498   34.230  104.726   37.069   84.897   16.741   88.847   17.330 -3.950462 24.09545 
1 1 1    0  -20   13 o  171.618   10.874  373.693   46.362  375.142   59.467  371.446   74.031  171.052   14.046  168.874   17.824 2.178696 22.69359 
1 1 1    0  -20   14 o  148.525   11.119  280.631   40.939  298.712   54.240  256.693   62.410  152.323   14.432  139.799   18.318 12.52380 23.31997 
1 1 1    0  -20   15 o   92.868   11.922  111.139   27.009  143.126   38.821   81.131   37.601  104.656   15.307   77.471   19.461 27.18420 24.75960 
1 1 1    0  -20   16 o  219.091   12.063  611.748   65.742  595.500   83.967  637.484  105.679  214.618   15.778  220.198   19.418 -5.579712 25.01964 
1 1 1    0  -20   17 o  100.921   12.234  131.451   30.201  135.074   43.149  127.973   42.284  100.600   17.829   97.810   17.974 2.790031 25.31694 
1 1 1    0  -20   18 o  211.021   13.988  574.192   73.294  766.106  124.021  471.191   90.858  239.387   20.958  188.186   19.623 51.20172 28.71019 
1 1 1    0  -20   19 o  243.445   12.734  761.935   77.145  748.335   98.692  783.298  123.693  238.840   16.651  241.249   20.733 -2.408783 26.59204 
1 1 1    0  -20   20 o  140.087   11.877  253.473   41.156  272.564   57.663  233.650   58.758  143.211   16.421  131.470   18.402 11.74104 24.66302 
1 1 1    0  -20   21 o  291.413   13.572  1106.17   98.767  1144.51  125.144  1042.85  160.831  292.355   17.218  270.564   24.055 21.79065 29.58176 
1 1 1    0  -20   22 o  114.502   14.297  175.233   39.990  164.817   62.713  182.370   51.914  104.822   24.413  114.225   18.858 -9.403351 30.84863 
1 1 1    0  -20   23 o   68.413   16.414   65.944   27.682   41.383   45.664   80.215   34.808   58.083   22.346   74.532   18.725 -16.44952 29.15467 
1 1 1    0  -20   24 o  132.052   18.838  251.059   60.358   0.0000   0.0000  251.059   60.358  ?   ?   132.052   18.838 0.000000 18.83763 
1 1 1    0  -20   25 o   87.221   34.520  164.006  111.546  164.006  111.546   0.0000   0.0000   87.221   34.520  ?   ?  0.000000 34.52013 
1 1 1    0  -20   26 o  154.545   16.153  340.287   61.416  437.581  127.883  311.120   70.019  144.029   35.728  143.082   20.155 0.9472961 41.02126 
1 1 1    0  -20   27 o  139.973   17.271  288.718   59.089  322.665  131.728  280.166   66.114  107.780   38.593  134.089   20.387 -26.30913 43.64629 
1 1 1    0  -19    1 o  233.736   14.228  689.063   82.652  646.942  119.037  728.274  114.852  224.994   21.446  239.313   19.385 -14.31958 28.90885 
1 1 1    0  -19    2 o  256.487   11.822  825.482   75.720  794.072   93.221  886.390  129.813  250.752   14.955  263.881   19.845 -13.12976 24.84936 
1 1 1    0  -19    3 o  222.633   10.779  621.723   59.929  616.876   74.155  630.848  101.752  221.072   13.497  222.539   18.477 -1.466446 22.88175 
1 1 1    0  -19    4 o  299.522   12.724  1128.22   95.172  1072.36  117.153  1236.63  163.208  290.936   16.189  310.957   21.144 -20.02103 26.62975 
1 1 1    0  -19    5 f  265.008   12.126  883.342   80.247  833.966   98.978  978.058  137.085  256.443   15.529  276.446   19.993 -20.00250 25.31517 
1 1 1    0  -19    6 o  187.623   18.129  451.600   83.881  451.600   83.881   0.0000   0.0000  187.623   18.129  ?   ?  0.000000 18.12891 
1 1 1    0  -19    7 o  207.824   10.895  544.780   56.348  547.352   70.270  540.146   94.306  207.729   13.622  204.968   18.628 2.761719 23.07740 
1 1 1    0  -19    8 o  263.241   11.849  873.727   77.890  891.707   96.551  840.216  131.810  264.869   14.654  254.765   20.903 10.10394 25.52781 
1 1 1    0  -19    9 o  101.848   10.242  131.837   25.695  137.159   33.988  124.737   39.256  103.254   13.505   97.632   16.702 5.622253 21.47894 
1 1 1    0  -19   10 o  201.475   10.615  512.881   53.216  537.511   66.956  470.637   87.688  205.644   13.107  190.619   18.661 15.02428 22.80364 
1 1 1    0  -19   11 o  118.907   14.119  181.966   41.105  120.026   69.661  215.054   50.914   93.912   27.766  128.845   16.181 -34.93369 32.13697 
1 1 1    0  -19   12 f  124.181   10.686  195.943   32.814  194.827   42.992  197.500   50.788  123.001   14.261  123.098   16.973 -0.9704590E-01 22.16933 
1 1 1    0  -19   13 o  278.987   12.599  986.597   87.777  995.835  109.319  969.833  147.260  278.699   15.772  271.783   21.883 6.916260 26.97473 
1 1 1    0  -19   14 o  175.181   10.470  388.695   45.593  432.147   59.012  324.348   71.813  184.084   12.919  157.498   18.619 26.58664 22.66219 
1 1 1    0  -19   15 o  169.817   18.854  377.403   78.604  377.403   78.604   0.0000   0.0000  169.817   18.854  ?   ?  0.000000 18.85398 
1 1 1    0  -19   16 o   88.279   12.446  100.797   26.677  104.075   38.116   97.650   37.348   88.292   17.900   85.421   18.073 2.871414 25.43719 
1 1 1    0  -19   17 o  259.712   11.904  856.121   77.200  937.458   97.898  722.360  125.543  270.321   14.556  233.291   21.803 37.02959 26.21509 
1 1 1    0  -19   18 o  155.185   11.569  307.339   44.510  306.729   59.668  308.103   66.834  153.625   15.778  153.166   17.806 0.4590454 23.79051 
1 1 1    0  -19   19 o  198.101   14.927  507.669   73.299  531.310  124.460  495.115   90.697  196.051   26.068  193.564   19.009 2.487900 32.26286 
1 1 1    0  -19   20 f  133.684   11.779  229.647   38.919  255.475   54.869  203.496   55.212  139.439   16.050  123.246   18.512 16.19389 24.50090 
1 1 1    0  -19   21 o  169.294   11.574  368.286   48.635  413.846   66.422  315.629   71.408  177.786   15.104  152.973   19.110 24.81284 24.35834 
1 1 1    0  -19   22 o  141.808   11.934  260.621   41.867  286.705   59.377  234.831   59.042  146.423   16.528  131.267   18.527 15.15585 24.82773 
1 1 1    0  -19   23 o  121.486   23.527  215.673   68.797  215.673   68.797   0.0000   0.0000  121.486   23.527  ?   ?  0.000000 23.52728 
1 1 1    0  -19   24 o  105.696   14.180  150.448   36.482  122.593   54.747  172.697   48.929   89.549   23.996  110.843   18.317 -21.29433 30.18824 
1 1 1    0  -19   25 o   93.546   13.701  118.865   31.056  204.492   51.815   70.859   38.797  120.170   17.805   68.854   20.806 51.31633 27.38440 
1 1 1    0  -19   26 o  159.538   12.546  341.235   49.580  379.760   71.094  304.758   69.179  162.985   17.755  143.773   19.793 19.21199 26.58973 
1 1 1    0  -19   27 f  118.974   18.101  207.482   52.083   80.211  120.343  236.815   57.774   71.417   32.141  126.420   18.879 -55.00295 37.27586 
1 1 1    0  -19   28 o   36.652   15.609   6.3951   25.086 -116.5600  113.171   12.749   25.726   50.007   24.717   39.365   16.215 10.64191 29.56126 
1 1 1    0  -19   29 f   52.068   18.628   40.438   30.685  188.144  122.568   30.561   31.694   81.178   34.536   47.930   18.567 33.24805 39.21059 
1 1 1    0  -18    1 o   61.473   10.694   48.684   15.820   56.696   20.437   36.706   24.988   66.130   12.839   54.146   16.762 11.98329 21.11388 
1 1 1    0  -18    2 o  250.698   11.459  787.618   71.735  809.553   88.472  745.520  122.564  253.553   14.027  242.106   20.464 11.44690 24.81022 
1 1 1    0  -18    3 o  217.017   14.755  594.701   79.487  417.223  114.756  758.385  110.206  179.063   26.461  244.546   18.177 -65.48306 32.10217 
1 1 1    0  -18    4 o  173.537   9.7045  378.418   41.887  383.216   52.419  369.943   69.668  174.331   12.116  170.536   16.568 3.795029 20.52599 
1 1 1    0  -18    5 o   90.665   9.4937  104.114   21.176  133.752   27.912   63.920   32.504  102.667   11.062   69.834   18.386 32.83303 21.45707 
1 1 1    0  -18    6 o  247.994   10.975  772.013   67.970  803.300   84.357  714.109  114.760  252.285   13.438  236.363   19.620 15.92148 23.78125 
1 1 1    0  -18    7 o  123.270   16.718  195.767   50.135  195.767   50.135   0.0000   0.0000  123.270   16.718  ?   ?  0.000000 16.71818 
1 1 1    0  -18    8 o  432.827   16.753  2376.86  181.077  2419.09  222.550  2294.16  311.473  434.945   20.490  416.994   30.114 17.95114 36.42401 
1 1 1    0  -18    9 o  312.175   13.163  1230.42  102.614  1229.67  126.668  1231.84  175.024  310.730   16.382  308.155   22.908 2.575012 28.16327 
1 1 1    0  -18   10 o  319.390   13.047  1289.19  104.063  1350.32  128.651  1173.48  176.988  325.961   15.805  299.708   23.845 26.25287 28.60754 
1 1 1    0  -18   11 o  207.367   10.898  543.307   56.235  551.560   70.530  528.904   93.171  208.253   13.638  202.315   18.652 5.938522 23.10567 
1 1 1    0  -18   12 o  347.453   17.487  1549.03  151.240  1644.18  218.495  1461.51  209.557  353.171   24.935  332.539   25.428 20.63245 35.61358 
1 1 1    0  -18   13 o  162.427   9.9006  333.435   39.966  371.276   51.619  276.798   63.150  170.920   12.173  145.932   17.691 24.98840 21.47439 
1 1 1    0  -18   14 f  176.463   10.547  394.136   46.263  417.403   59.362  358.146   73.830  180.928   13.231  165.988   18.105 14.93991 22.42438 
1 1 1    0  -18   15 o  390.514   15.189  1946.29  148.122  2036.06  183.064  1776.09  252.064  397.378   18.448  362.875   28.034 34.50272 33.55927 
1 1 1    0  -18   16 o  199.199   19.577  518.760   96.126  518.760   96.126   0.0000   0.0000  199.199   19.577  ?   ?  0.000000 19.57722 
1 1 1    0  -18   17 o   47.069   14.861   28.004   19.536   15.565   30.805   36.371   25.266   45.730   18.128   53.444   16.903 -7.714333 24.78551 
1 1 1    0  -18   18 o  159.931   10.432  324.571   41.433  408.496   55.894  222.203   61.731  178.878   12.593  129.334   19.739 49.54428 23.41396 
1 1 1    0  -18   19 o  106.137   12.331  145.025   32.073  149.057   46.525  141.373   44.275  105.834   18.264  103.149   17.834 2.685356 25.52696 
1 1 1    0  -18   20 o  252.933   11.888  813.643   75.087  896.260   96.587  687.443  119.375  263.810   14.720  227.146   21.294 36.66341 25.88651 
1 1 1    0  -18   21 o  272.127   14.702  956.910   99.539  1283.45  160.333  752.121  126.971  310.177   20.820  236.449   21.748 73.72850 30.10729 
1 1 1    0  -18   22 o  122.390   12.330  193.772   37.170  209.078   54.524  180.482   50.806  124.853   18.009  115.782   18.170 9.070763 25.58279 
1 1 1    0  -18   23 o   82.939   18.754   95.361   37.932   0.0000   0.0000   95.361   37.932  ?   ?    82.939   18.754 0.000000 18.75423 
1 1 1    0  -18   24 o  133.629   23.072  257.071   74.206  257.071   74.206   0.0000   0.0000  133.629   23.072  ?   ?  0.000000 23.07151 
1 1 1    0  -18   25 o   67.924   16.029   64.267   26.750   85.660   46.722   53.835   32.626   75.896   22.809   61.812   19.157 14.08453 29.78621 
1 1 1    0  -18   26 o  119.663   13.337  192.078   39.176  186.839   59.482  196.093   52.063  111.715   22.104  117.510   18.341 -5.795235 28.72299 
1 1 1    0  -18   27 o  226.281   12.758  684.506   71.798  749.716   96.285  602.836  107.754  231.404   16.776  200.040   21.930 31.36443 27.61137 
1 1 1    0  -18   28 o   46.421   17.308   26.997   26.903   47.091  110.248   25.725   27.741   66.900   30.372   46.079   17.491 20.82059 35.04845 
1 1 1    0  -18   29 o   73.992   19.500   85.003   36.539   79.808  118.299   85.551   38.417   69.801   31.598   73.682   20.252 -3.880859 37.53138 
1 1 1    0  -18   30 f   53.361   18.732   42.738   30.896   40.571  123.540   42.883   31.910   63.111   29.818   53.476   19.011 9.635319 35.36272 
1 1 1    0  -17    1 o  212.466   10.517  564.924   55.802  567.189   68.862  560.592   95.232  212.365   13.048  210.384   18.309 1.980438 22.48303 
1 1 1    0  -17    2 o  416.043   16.117  2173.71  167.449  2164.44  205.445  2192.05  289.010  414.540   19.846  414.474   28.089 0.6683350E-01 34.39285 
1 1 1    0  -17    3 o  317.641   12.582  1264.66   99.802  1330.75  122.887  1136.59  171.053  325.557   15.116  298.909   23.095 26.64838 27.60214 
1 1 1    0  -17    4 o  308.161   17.457  1199.35  133.786  879.509  190.734  1509.11  187.706  260.668   29.839  344.721   21.919 -84.05264 37.02439 
1 1 1    0  -17    5 o  249.357   11.737  779.661   73.087  723.864   90.236  886.079  124.618  239.460   15.169  264.264   19.011 -24.80476 24.32082 
1 1 1    0  -17    6 o  229.020   10.832  657.579   61.949  672.736   76.919  629.598  104.512  231.015   13.391  222.371   19.003 8.643234 23.24726 
1 1 1    0  -17    7 o  348.932   13.608  1531.44  118.573  1609.67  146.119  1380.60  202.904  357.145   16.384  327.583   24.992 29.56131 29.88382 
1 1 1    0  -17    8 o  173.089   10.862  377.548   46.712  334.273   58.490  453.759   77.619  162.197   14.597  188.741   16.639 -26.54379 22.13403 
1 1 1    0  -17    9 o  250.856   20.628  808.282  128.076  808.282  128.076   0.0000   0.0000  250.856   20.628  ?   ?  0.000000 20.62807 
1 1 1    0  -17   10 o  173.368   9.8109  378.621   42.300  424.611   53.743  303.744   68.575  183.279   11.805  153.438   18.255 29.84131 21.73991 
1 1 1    0  -17   11 f  338.653   14.048  1450.87  118.802  1450.52  146.535  1451.55  202.941  336.991   17.473  333.514   24.539 3.476318 30.12459 
1 1 1    0  -17   12 o   58.801   12.340   45.259   17.542   61.140   25.335   30.634   24.313   68.088   15.276   50.199   16.638 17.88948 22.58727 
1 1 1    0  -17   13 o  145.353   9.7975  266.972   35.355  305.888   46.009  210.861   55.247  155.200   11.964  127.210   17.885 27.98984 21.51788 
1 1 1    0  -17   14 o  207.773   12.319  547.713   63.632  763.383  100.862  405.119   82.013  243.912   16.659  176.590   18.891 67.32156 25.18714 
1 1 1    0  -17   15 o  148.703   10.759  280.327   39.683  278.705   51.596  282.676   62.092  147.455   14.187  147.642   17.161 -0.1875153 22.26632 
1 1 1    0  -17   16 o  238.145   11.994  719.282   71.101  707.203   89.314  740.181  117.485  234.993   15.303  238.402   19.917 -3.409348 25.11713 
1 1 1    0  -17   17 o   59.345   14.020   46.561   20.447   73.365   31.305   26.618   27.003   74.175   17.230   48.893   17.477 25.28176 24.54205 
1 1 1    0  -17   18 o   87.223   20.930  102.937   45.007  102.937   45.007   0.0000   0.0000   87.223   20.930  ?   ?  0.000000 20.93044 
1 1 1    0  -17   19 o  188.469   11.137  450.918   52.184  484.943   68.288  403.160   80.904  194.512   14.156  175.527   18.747 18.98482 23.49162 
1 1 1    0  -17   20 o  228.199   11.984  662.656   68.055  685.055   87.589  628.537  108.104  230.689   15.291  218.594   20.027 12.09532 25.19687 
1 1 1    0  -17   21 o  147.192   11.781  276.897   42.942  266.422   58.980  288.713   62.642  142.654   16.884  148.439   17.219 -5.784698 24.11585 
1 1 1    0  -17   22 o   55.363   17.670   39.520   27.563 -23.4530   89.820   46.067   28.961   61.710   27.771   59.090   18.003 2.619514 33.09544 
1 1 1    0  -17   23 o  139.606   11.797  250.628   40.741  307.107   58.983  199.098   56.340  153.039   15.654  121.382   19.228 31.65752 24.79456 
1 1 1    0  -17   24 o  234.800   12.072  710.101   70.541  787.236   92.327  601.926  109.337  245.127   15.157  209.587   21.181 35.53958 26.04604 
1 1 1    0  -17   25 o   76.436   15.545   79.573   28.660   87.453   47.914   75.183   35.764   77.733   23.039   73.057   19.311 4.675903 30.06159 
1 1 1    0  -17   26 o  121.953   24.228  221.689   71.184  221.689   71.184   0.0000   0.0000  121.953   24.228  ?   ?  0.000000 24.22831 
1 1 1    0  -17   27 o   74.604   15.960   77.934   28.834   89.140   51.629   72.855   34.760   76.041   24.175   70.718   19.193 5.323334 30.86712 
1 1 1    0  -17   28 f   47.253   16.656   29.051   24.445   52.174   50.855   22.103   27.877   61.566   23.607   45.004   17.419 16.56205 29.33782 
1 1 1    0  -17   29 o   48.160   17.614   30.047   27.630 -53.1940  110.169   35.635   28.542   56.212   26.998   51.020   17.997 5.191914 32.44644 
1 1 1    0  -17   30 o   65.745   19.090   66.284   33.193   87.460  119.386   64.510   34.555   71.556   32.125   64.622   19.660 6.934319 37.66313 
1 1 1    0  -17   31 o  103.955   18.206  163.259   45.539  238.745  131.028  152.888   48.567   90.510   36.857   98.305   20.450 -7.794991 42.15067 
1 1 1    0  -16    1 o  364.934   12.439  1667.45  113.354  1604.15  159.865  1731.46  160.752  356.955   17.992  371.388   17.333 -14.43314 24.98322 
1 1 1    0  -16    2 o  261.450   11.533  855.636   75.297  845.257   92.719  875.738  129.039  259.286   14.376  263.138   19.782 -3.851715 24.45432 
1 1 1    0  -16    3 o  524.644   18.557  3460.66  243.126  3610.97  298.335  3163.45  419.516  535.091   22.327  496.491   34.042 38.59964 40.71059 
1 1 1    0  -16    4 o  594.945   21.516  4464.39  319.659  4511.90  391.909  4369.96  552.517  596.620   26.305  581.190   38.284 15.42975 46.44994 
1 1 1    0  -16    5 o  249.498   12.006  779.972   74.803  740.787   92.370  854.631  127.500  242.405   15.339  259.650   19.814 -17.24417 25.05687 
1 1 1    0  -16    6 o  493.707   21.633  3082.80  266.705  3487.39  379.792  2689.15  374.617  521.582   29.277  456.125   33.115 65.45621 44.20142 
1 1 1    0  -16    7 o  297.760   12.209  1112.21   90.783  1181.24  112.159  981.059  154.594  306.547   14.652  277.234   22.525 29.31299 26.87101 
1 1 1    0  -16    8 o  350.910   13.308  1547.31  116.619  1679.43  143.902  1294.54  199.050  365.112   15.783  317.402   25.324 47.71033 29.83971 
1 1 1    0  -16    9 o  170.913   10.692  367.876   45.404  340.263   57.031  415.676   75.034  163.818   14.078  180.646   16.827 -16.82751 21.93930 
1 1 1    0  -16   10 o  357.637   25.854  1655.99  229.339  1655.99  229.339   0.0000   0.0000  357.637   25.854  ?   ?  0.000000 25.85361 
1 1 1    0  -16   11 o  270.000   12.430  918.006   83.807  888.452  103.799  973.355  142.046  264.481   15.788  275.194   20.824 -10.71323 26.13257 
1 1 1    0  -16   12 o  195.259   11.079  481.212   53.796  447.729   67.351  540.223   89.412  187.594   14.489  205.306   17.610 -17.71243 22.80505 
1 1 1    0  -16   13 o  204.096   10.730  525.695   54.493  547.171   68.541  488.796   89.842  207.655   13.287  194.664   18.712 12.99127 22.95003 
1 1 1    0  -16   14 o  244.123   10.689  750.547   65.165  858.006   81.925  565.444  107.523  260.582   12.590  208.434   20.941 52.14859 24.43427 
1 1 1    0  -16   15 o  287.644   15.272  1055.29  109.306  1170.94  161.023  956.451  148.857  299.931   21.644  270.633   22.222 29.29785 31.02114 
1 1 1    0  -16   16 o  185.274   10.428  433.896   48.050  478.944   61.798  365.023   76.411  194.093   12.822  167.606   18.569 26.48773 22.56549 
1 1 1    0  -16   17 o  201.713   10.778  514.711   54.092  558.014   69.250  446.941   86.632  209.349   13.316  185.365   18.983 23.98434 23.18775 
1 1 1    0  -16   18 o  159.444   10.176  321.742   40.307  386.859   53.777  238.264   60.888  174.349   12.433  134.855   18.574 39.49374 22.35088 
1 1 1    0  -16   19 o  218.691   20.482  626.295  110.552  626.295  110.552   0.0000   0.0000  218.691   20.482  ?   ?  0.000000 20.48215 
1 1 1    0  -16   20 o  174.042   11.177  384.606   48.318  404.834   63.965  357.724   73.737  177.574   14.553  165.588   18.128 11.98595 23.24677 
1 1 1    0  -16   21 o   50.448   15.674   32.585   21.826   12.215   36.846   43.596   27.090   47.586   19.480   57.769   17.369 -10.18337 26.09949 
1 1 1    0  -16   22 o   58.728   18.010   45.038   28.924   0.0000   0.0000   45.038   28.924  ?   ?    58.728   18.010 0.000000 18.00977 
1 1 1    0  -16   23 o  131.768   32.320  255.955  105.539  255.955  105.539   0.0000   0.0000  131.768   32.320  ?   ?  0.000000 32.31951 
1 1 1    0  -16   24 o  130.039   11.983  217.679   38.475  254.290   56.445  185.905   52.584  138.825   16.612  117.652   18.509 21.17211 24.87078 
1 1 1    0  -16   25 o  211.082   12.228  574.050   64.177  608.291   85.119  528.947   97.693  215.007   15.967  197.523   20.086 17.48416 25.65909 
1 1 1    0  -16   26 o  184.154   12.215  439.788   55.856  464.013   76.237  411.715   82.069  186.350   16.555  173.484   19.270 12.86577 25.40450 
1 1 1    0  -16   27 o   49.620   21.482   5.9595   49.008   5.9595   49.008   0.0000   0.0000   49.620   21.482  ?   ?  0.000000 21.48232 
1 1 1    0  -16   28 o  144.578   12.625  276.645   45.125  314.418   66.947  245.196   61.087  149.798   18.276  131.407   19.181 18.39069 26.49345 
1 1 1    0  -16   29 o   70.237   16.376   70.291   28.194  124.976   54.155   49.959   33.022   88.924   23.882   58.994   19.382 29.92958 30.75738 
1 1 1    0  -16   30 o   77.609   18.426   89.158   35.176  155.805  116.515   82.474   36.898   85.941   34.846   73.846   19.660 12.09544 40.00954 
1 1 1    0  -16   31 o   90.663   18.212  122.071   39.800  199.945  123.333  113.018   42.050   90.420   36.134   85.715   20.009 4.704575 41.30442 
1 1 1    0  -16   32 o   69.204   19.325   75.182   34.677  230.299  130.689   63.434   35.966   90.131   36.769   63.214   20.186 26.91737 41.94506 
1 1 1    0  -16   33 o   92.698   19.690  137.216   44.173  100.350  135.775  141.580   46.714   67.684   31.753   93.184   20.621 -25.49978 37.86160 
1 1 1    0  -15    1 o  229.674   8.9509  659.508   51.337  660.202   72.209  658.798   73.000  229.297   12.660  229.037   12.815 0.2601318 18.01361 
1 1 1    0  -15    2 o  107.386   15.745  147.626   40.969  147.626   40.969   0.0000   0.0000  107.386   15.745  ?   ?  0.000000 15.74529 
1 1 1    0  -15    3 o  364.660   14.025  1666.11  127.713  1706.85  156.883  1586.06  219.899  368.788   17.035  353.593   25.066 15.19473 30.30720 
1 1 1    0  -15    4 o  285.972   12.190  1023.93   87.050  1048.63  107.253  976.269  149.016  288.820   14.922  277.587   21.669 11.23276 26.30969 
1 1 1    0  -15    5 o  186.094   9.9747  434.501   46.185  454.196   57.573  398.949   77.352  190.054   12.195  177.327   17.705 12.72746 21.49854 
1 1 1    0  -15    6 o  379.086   14.647  1802.82  138.655  1852.92  170.461  1704.86  238.368  383.887   17.782  365.835   26.267 18.05261 31.71987 
1 1 1    0  -15    7 o  446.697   19.909  2516.10  222.077  2830.80  316.760  2211.88  311.437  471.133   27.037  415.146   30.249 55.98709 40.57121 
1 1 1    0  -15    8 o  558.919   20.465  3947.28  285.640  4009.07  350.391  3824.87  493.182  561.646   24.983  542.046   36.651 19.60028 44.35536 
1 1 1    0  -15    9 o  360.509   14.448  1633.92  130.073  1663.97  160.112  1575.59  223.067  363.199   17.653  350.572   25.659 12.62701 31.14505 
1 1 1    0  -15   10 o  387.606   14.807  1891.59  143.324  1967.79  176.482  1743.99  245.631  394.577   17.911  367.763   26.934 26.81323 32.34535 
1 1 1    0  -15   11 o  274.271   12.456  945.719   85.313  930.418  105.627  974.432  144.694  271.066   15.671  275.868   21.165 -4.801880 26.33540 
1 1 1    0  -15   12 o  275.045   21.757  973.166  148.216  973.166  148.216   0.0000   0.0000  275.045   21.757  ?   ?  0.000000 21.75711 
1 1 1    0  -15   13 o  164.203   10.242  340.030   41.788  354.836   53.721  317.345   66.494  167.263   12.963  157.163   17.225 10.10007 21.55766 
1 1 1    0  -15   14 o  187.664   10.809  444.572   50.440  460.119   64.389  419.878   81.149  190.324   13.638  180.536   18.250 9.788422 22.78332 
1 1 1    0  -15   15 o  255.794   11.367  824.633   72.608  891.070   91.195  709.591  120.003  264.962   13.831  233.925   20.759 31.03702 24.94428 
1 1 1    0  -15   16 o   96.129   14.488  119.739   33.699  112.377   69.801  121.976   38.481   91.573   27.960   96.540   16.558 -4.966873 32.49501 
1 1 1    0  -15   17 o  176.503   10.535  393.887   46.221  425.661   60.386  348.937   71.823  182.845   13.317  164.159   17.806 18.68666 22.23493 
1 1 1    0  -15   18 o  100.809   11.768  130.081   29.067  116.095   40.772  144.538   41.450   93.635   18.092  105.242   16.299 -11.60664 24.35105 
1 1 1    0  -15   19 o  141.021   10.973  252.461   38.337  284.850   52.291  214.818   56.373  149.050   14.222  128.136   18.123 20.91388 23.03712 
1 1 1    0  -15   20 o  105.897   12.314  143.846   31.955  128.729   45.799  158.186   44.606   98.250   19.356  109.952   16.777 -11.70157 25.61459 
1 1 1    0  -15   21 o  292.006   12.628  1081.62   92.085  1196.78  117.461  897.986  148.330  305.611   15.441  260.498   23.040 45.11298 27.73548 
1 1 1    0  -15   22 o  295.210   12.271  1105.66   90.460  1272.87  115.448  839.729  145.592  315.688   14.645  251.128   23.489 64.55960 27.68033 
1 1 1    0  -15   23 o  175.096   11.339  390.095   49.315  430.133   66.934  342.556   72.936  182.731   14.795  161.553   18.408 21.17819 23.61672 
1 1 1    0  -15   24 o  293.589   13.266  1101.23   97.257  1150.56  123.425  1020.43  157.961  297.732   16.668  275.507   23.175 22.22473 28.54631 
1 1 1    0  -15   25 o  147.997   14.841  285.306   54.108  344.307  110.740  266.803   62.015  153.995   29.875  141.749   17.920 12.24678 34.83723 
1 1 1    0  -15   26 o  146.560   12.066  277.169   43.767  318.386   63.614  240.123   60.310  154.951   16.704  133.410   18.610 21.54065 25.00694 
1 1 1    0  -15   27 f  287.277   12.948  1069.37   92.890  1193.36  120.115  884.877  146.518  300.173   16.083  250.095   23.745 50.07864 28.67895 
1 1 1    0  -15   28 o  192.788   23.303  536.766  109.909  536.766  109.909   0.0000   0.0000  192.788   23.303  ?   ?  0.000000 23.30270 
1 1 1    0  -15   29 o  114.419   13.620  175.290   38.152  191.293   60.979  164.994   48.908  113.688   22.276  107.805   18.854 5.882355 29.18335 
1 1 1    0  -15   30 o  133.663   12.968  239.043   42.740  288.439   67.220  205.524   55.374  141.322   19.573  119.304   19.241 22.01731 27.44684 
1 1 1    0  -15   31 o  172.253   12.864  398.392   54.936  457.358   80.553  347.118   75.115  178.443   18.338  153.383   20.094 25.05940 27.20412 
1 1 1    0  -15   32 o   34.747   14.928   3.1634   23.307 -15.1778  116.174   3.9326   23.791   60.253   28.599   35.323   15.126 24.93009 32.35312 
1 1 1    0  -15   33 o   86.265   18.207  112.510   37.990  266.773  131.918   98.559   39.671   97.552   37.855   79.052   20.062 18.49982 42.84225 
1 1 1    0  -15   34 o  123.424   17.236  228.434   51.675  439.173  147.357  198.884   55.179  118.685   40.952  111.251   20.621 7.434059 45.85083 
1 1 1    0  -14    1 o  516.471   15.886  3344.01  204.888  3154.05  289.374  3534.97  290.139  500.454   23.155  530.048   21.920 -29.59344 31.88478 
1 1 1    0  -14    2 o  586.983   21.161  4332.97  310.175  4428.34  380.203  4143.19  536.346  592.403   25.701  568.300   38.013 24.10248 45.88572 
1 1 1    0  -14    3 o  187.400   17.579  444.522   81.303  444.522   81.303   0.0000   0.0000  187.400   17.579  ?   ?  0.000000 17.57895 
1 1 1    0  -14    4 o  342.742   14.022  1471.60  120.017  1420.34  147.310  1572.80  206.977  335.945   17.621  352.490   23.651 -16.54498 29.49359 
1 1 1    0  -14    5 o  367.441   14.341  1691.87  131.589  1726.84  161.659  1623.20  226.535  370.897   17.454  357.632   25.534 13.26495 30.92914 
1 1 1    0  -14    6 o  163.262   9.9112  334.639   40.216  324.508   50.274  352.643   67.018  160.479   12.648  166.859   16.292 -6.380203 20.62487 
1 1 1    0  -14    7 o  226.635   10.858  642.868   61.450  640.770   76.148  646.787  104.050  225.709   13.573  226.052   18.597 -0.3427124 23.02383 
1 1 1    0  -14    8 o  213.874   14.617  576.568   77.600  455.519  113.337  683.393  106.470  188.147   24.721  232.321   18.506 -44.17416 30.88009 
1 1 1    0  -14    9 o  270.013   11.880  913.696   80.103  915.663   99.304  910.034  135.529  269.628   14.805  267.750   20.424 1.877777 25.22580 
1 1 1    0  -14   10 o  329.902   13.780  1366.77  113.520  1333.34  139.903  1431.19  194.230  324.856   17.308  335.016   23.363 -10.15994 29.07579 
1 1 1    0  -14   11 f  468.000   17.323  2763.81  202.456  2866.33  248.827  2563.01  348.245  475.442   20.958  444.272   31.596 31.17010 37.91455 
1 1 1    0  -14   12 o  192.291   10.950  465.451   52.362  437.074   65.767  514.585   86.538  185.778   14.286  201.027   17.411 -15.24873 22.52132 
1 1 1    0  -14   13 o  273.120   21.657  958.083  146.498  958.083  146.498   0.0000   0.0000  273.120   21.657  ?   ?  0.000000 21.65726 
1 1 1    0  -14   14 o   96.777   10.784  119.131   25.617  114.883   34.620  124.272   38.084   94.158   15.245   97.816   16.155 -3.658928 22.21262 
1 1 1    0  -14   15 o  213.369   11.340  574.657   60.204  560.624   75.648  598.900   99.430  210.016   14.513  215.898   18.625 -5.881729 23.61180 
1 1 1    0  -14   16 o   91.693   10.534  107.149   23.683  131.784   33.079   81.242   33.922  101.252   13.413   78.304   17.757 22.94782 22.25307 
1 1 1    0  -14   17 o   94.251   10.411  113.145   24.095  153.677   34.402   74.119   33.757  109.549   12.818   74.668   18.257 34.88166 22.30699 
1 1 1    0  -14   18 o  157.261   13.377  315.348   52.032  348.051   89.477  298.639   63.959  162.292   22.699  151.989   17.151 10.30305 28.45043 
1 1 1    0  -14   19 o  231.269   11.716  677.165   67.440  688.100   85.580  659.249  109.546  232.176   14.838  225.386   19.660 6.789337 24.63115 
1 1 1    0  -14   20 o  209.325   10.362  552.228   54.163  672.390   70.963  384.542   83.830  230.201   12.390  171.507   19.946 58.69319 23.48097 
1 1 1    0  -14   21 o  187.228   18.286  454.928   84.404   0.0000   0.0000  454.928   84.404  ?   ?   187.228   18.286 0.000000 18.28608 
1 1 1    0  -14   22 o  232.753   21.333  711.291  122.615  711.291  122.615   0.0000   0.0000  232.753   21.333  ?   ?  0.000000 21.33319 
1 1 1    0  -14   23 o  208.007   12.188  550.330   63.031  536.374   82.627  569.757   97.485  203.849   16.370  209.032   18.879 -5.182816 24.98779 
1 1 1    0  -14   24 o  190.655   11.955  462.921   56.630  490.131   77.225  431.265   83.293  194.714   16.024  181.470   18.646 13.24455 24.58529 
1 1 1    0  -14   25 o  189.597   12.479  459.651   58.753  438.385   78.995  485.977   87.893  183.083   17.491  192.325   18.530 -9.241547 25.48130 
1 1 1    0  -14   26 f  313.739   16.605  1283.25  129.634  1513.09  200.287  1117.54  170.059  332.995   24.253  286.228   24.014 46.76648 34.13030 
1 1 1    0  -14   27 o  158.078   12.097  322.027   47.391  353.627   67.767  291.782   66.299  163.389   16.851  147.465   18.405 15.92462 24.95362 
1 1 1    0  -14   28 o  121.029   13.077  191.713   38.894  201.270   59.867  184.733   51.162  120.166   20.698  116.376   18.201 3.789597 27.56212 
1 1 1    0  -14   29 o  121.223   12.870  193.424   38.363  237.792   60.646  163.827   49.533  130.791   19.134  108.275   19.013 22.51613 26.97444 
1 1 1    0  -14   30 o   41.623   16.339   16.203   24.799   18.287   56.441   15.704   27.606   54.783   23.374   42.743   17.091 12.03941 28.95585 
1 1 1    0  -14   31 o  126.744   12.974  214.836   40.486  277.179   66.713  178.490   50.938  138.427   19.869  111.376   18.996 27.05082 27.48847 
1 1 1    0  -14   32 o   56.232   16.920   45.272   25.700   68.806   58.974   39.755   28.553   67.344   25.516   53.375   18.035 13.96846 31.24664 
1 1 1    0  -14   33 o   58.198   18.152   49.967   29.242   84.279  121.598   47.861   30.126   72.770   32.563   57.081   18.500 15.68852 37.45116 
1 1 1    0  -14   34 o   72.524   18.904   81.149   34.586  135.155  131.774   77.153   35.843   76.553   34.102   70.162   19.666 6.390991 39.36663 
1 1 1    0  -14   35 o  123.012   17.635  227.982   52.623  309.415  148.354  216.261   56.283   94.283   38.900  117.097   19.964 -22.81417 43.72330 
1 1 1    0  -13    1 o  435.777   14.324  2379.15  155.874  2315.69  220.257  2442.82  220.621  429.157   20.552  440.855   20.040 -11.69833 28.70551 
1 1 1    0  -13    2 o  230.545   10.364  664.788   59.666  638.419   84.200  691.383   84.561  225.212   15.058  234.472   14.513 -9.259628 20.91398 
1 1 1    0  -13    3 o  584.350   21.016  4293.60  306.677  4374.86  375.905  4131.86  530.325  588.865   25.563  567.711   37.621 21.15442 45.48431 
1 1 1    0  -13    4 o  364.858   14.594  1667.79  132.964  1592.05  163.049  1818.15  229.733  355.651   18.422  379.037   24.401 -23.38620 30.57402 
1 1 1    0  -13    5 o  299.082   22.336  1132.03  165.613  1132.03  165.613   0.0000   0.0000  299.082   22.336  ?   ?  0.000000 22.33564 
1 1 1    0  -13    6 o  259.772   11.992  844.609   77.789  803.655   95.770  924.018  133.357  252.753   15.245  270.423   19.888 -17.66920 25.05820 
1 1 1    0  -13    7 o  393.642   14.801  1942.29  145.491  2041.08  178.879  1749.19  250.083  403.185   17.767  370.903   27.190 32.28165 32.48001 
1 1 1    0  -13    8 o  314.038   12.074  1234.81   94.683  1367.66  116.987  982.540  161.210  330.324   14.182  278.101   23.432 52.22293 27.38936 
1 1 1    0  -13    9 o  221.611   10.922  614.763   60.441  625.474   75.243  595.280  101.477  222.971   13.578  216.713   18.942 6.257965 23.30564 
1 1 1    0  -13   10 o  144.004   12.618  261.899   44.916  265.323   71.951  259.713   57.495  143.602   20.659  142.832   16.418 0.7698669 26.38850 
1 1 1    0  -13   11 o  593.923   21.298  4461.28  315.873  4601.27  387.605  4184.48  545.028  601.374   25.810  565.730   38.814 35.64417 46.61266 
1 1 1    0  -13   12 o  416.165   16.117  2181.18  167.496  2173.82  205.935  2195.57  287.902  414.532   19.894  413.071   28.077 1.461426 34.41080 
1 1 1    0  -13   13 o  292.536   12.285  1074.81   89.743  1134.04  111.282  964.648  151.772  300.083   14.850  274.438   22.340 25.64481 26.82535 
1 1 1    0  -13   14 o  364.503   14.313  1674.54  130.279  1712.98  160.773  1601.02  222.330  367.814   17.504  352.042   25.462 15.77222 30.89827 
1 1 1    0  -13   15 o  145.628   10.148  267.526   36.673  296.654   48.109  227.122   56.660  152.966   12.710  132.692   17.529 20.27347 21.65148 
1 1 1    0  -13   16 o  349.517   13.563  1542.44  118.378  1643.76  146.596  1352.55  200.692  359.923   16.310  322.101   25.150 37.82217 29.97614 
1 1 1    0  -13   17 o  129.427   9.9104  211.754   31.787  244.176   42.707  171.478   47.599  138.572   12.475  114.879   17.115 23.69309 21.17888 
1 1 1    0  -13   18 o   31.425   12.151   8.0363   13.556 -12.7450   24.095   17.661   16.398   31.630   14.295   39.359   13.656 -7.729759 19.76951 
1 1 1    0  -13   19 o  217.753   12.389  600.932   67.090  875.420  109.102  434.024   85.076  261.444   16.800  183.045   18.883 78.39835 25.27499 
1 1 1    0  -13   20 o  266.067   12.367  894.907   82.171  899.515  103.374  886.997  135.426  265.331   15.671  261.161   20.942 4.170013 26.15620 
1 1 1    0  -13   21 o  186.394   11.535  440.314   53.426  430.457   69.806  454.254   83.011  183.232   15.399  187.403   17.958 -4.170624 23.65616 
1 1 1    0  -13   22 o  230.420   12.362  673.774   70.871  653.725   90.750  705.118  113.466  225.652   16.213  232.912   19.693 -7.260056 25.50828 
1 1 1    0  -13   23 o  241.303   21.585  764.086  128.694  764.086  128.694   0.0000   0.0000  241.303   21.585  ?   ?  0.000000 21.58515 
1 1 1    0  -13   24 o  110.795   12.585  157.614   34.201  142.538   50.750  170.156   46.291  103.069   20.440  114.029   16.756 -10.95963 26.43021 
1 1 1    0  -13   25 o  267.656   12.689  910.393   84.814  946.897  109.052  854.512  134.925  271.050   16.185  254.467   21.433 16.58376 26.85743 
1 1 1    0  -13   26 o  153.061   11.729  299.207   44.489  355.064   64.363  248.102   61.565  165.391   15.775  136.994   18.467 28.39694 24.28728 
1 1 1    0  -13   27 o  191.021   14.924  473.189   70.622  678.783  144.867  409.098   80.885  220.572   26.855  175.665   18.727 44.90747 32.73999 
1 1 1    0  -13   28 o  181.892   11.551  424.543   52.194  514.538   73.853  334.739   73.774  198.534   15.007  157.728   19.121 40.80605 24.30701 
1 1 1    0  -13   29 o   81.315   14.568   88.614   28.495  119.686   52.127   75.371   34.030   91.174   22.920   73.624   18.525 17.54910 29.47034 
1 1 1    0  -13   30 o   68.361   15.829   64.407   26.488   85.408   52.517   57.242   30.676   76.296   24.395   63.973   18.286 12.32275 30.48787 
1 1 1    0  -13   31 o   95.068   26.217  142.255   64.256  142.255   64.256   0.0000   0.0000   95.068   26.217  ?   ?  0.000000 26.21736 
1 1 1    0  -13   32 o   38.677   15.064   14.416   20.949   12.262   50.422   14.865   23.031   50.688   21.867   39.933   15.723 10.75454 26.93337 
1 1 1    0  -13   33 o   32.685   13.825   3.6521   19.451  -6.6579   52.922   5.2624   20.915   46.928   21.199   34.335   14.419 12.59288 25.63791 
1 1 1    0  -13   34 o   50.932   17.534   36.057   27.005  -5.3816  120.712   38.240   27.707   62.448   29.496   52.131   17.765 10.31680 34.43225 
1 1 1    0  -13   35 o  116.411   16.916  197.252   47.736  345.639  143.966  178.923   50.599  110.455   40.237  108.480   19.390 1.975357 44.66492 
1 1 1    0  -13   36 o   48.416   17.762   33.061   28.125  231.225  139.521   24.667   28.715   84.948   36.510   44.836   17.588 40.11189 40.52538 
1 1 1    0  -12    1 f  163.926   12.629  338.489   51.299  259.631   73.501  413.380   71.629  142.060   21.382  180.825   16.029 -38.76469 26.72281 
1 1 1    0  -12    2 o  605.423   18.863  4604.97  285.185  4611.12  403.261  4598.81  403.363  603.951   26.738  603.131   26.781 0.8191528 37.84420 
1 1 1    0  -12    3 o  191.048   10.945  458.124   52.000  325.737   63.794  720.261   89.768  160.372   16.149  239.256   15.102 -78.88458 22.11045 
1 1 1    0  -12    4 o  564.913   20.551  4011.50  289.915  4039.43  355.303  3955.86  501.495  565.934   25.141  555.927   36.324 10.00751 44.17572 
1 1 1    0  -12    5 f  399.402   15.122  1998.98  150.821  2056.12  185.175  1886.39  259.951  404.729   18.322  385.523   27.176 19.20547 32.77502 
1 1 1    0  -12    6 o  307.098   22.716  1193.51  172.972  1193.51  172.972   0.0000   0.0000  307.098   22.716  ?   ?  0.000000 22.71650 
1 1 1    0  -12    7 o  716.640   25.761  6481.64  461.018  6479.20  564.888  6486.51  797.776  714.562   31.657  707.704   45.381 6.857605 55.33175 
1 1 1    0  -12    8 o  716.779   25.400  6485.40  454.644  6637.70  557.319  6182.42  786.066  723.279   30.857  690.052   45.878 33.22699 55.28972 
1 1 1    0  -12    9 o  501.520   18.111  3159.30  226.818  3333.19  278.514  2816.85  390.848  514.474   21.679  469.039   33.592 45.43521 39.97965 
1 1 1    0  -12   10 o  208.383   10.295  543.343   53.574  579.920   66.989  478.430   89.241  214.809   12.543  194.196   18.631 20.61275 22.45954 
1 1 1    0  -12   11 o  615.622   26.346  4807.63  405.022  5400.07  575.701  4227.04  569.918  647.288   35.755  570.027   40.297 77.26068 53.87278 
1 1 1    0  -12   12 f  392.513   14.764  1934.94  144.718  2055.08  178.318  1703.14  247.699  404.005   17.675  364.701   27.398 39.30444 32.60466 
1 1 1    0  -12   13 o  155.367   9.3195  303.300   35.991  354.079   46.620  228.392   56.623  167.698   11.197  133.520   17.395 34.17813 20.68745 
1 1 1    0  -12   14 o  264.622   11.801  878.856   77.984  910.454   97.017  821.160  131.094  268.599   14.518  253.582   20.888 15.01718 25.43764 
1 1 1    0  -12   15 o  384.767   14.710  1866.09  141.337  1958.81  174.354  1688.39  241.375  393.365   17.749  361.086   26.963 32.27887 32.28109 
1 1 1    0  -12   16 o   96.634   18.154  122.269   42.200  122.269   42.200   0.0000   0.0000   96.634   18.154  ?   ?  0.000000 18.15407 
1 1 1    0  -12   17 o   69.392   12.078   62.357   20.170   60.603   29.372   63.921   27.746   67.788   17.295   69.644   16.251 -1.855873 23.73201 
1 1 1    0  -12   18 o  126.271   10.551  201.905   32.966  200.471   44.114  203.719   49.611  125.074   14.386  125.676   16.184 -0.6017990 21.65364 
1 1 1    0  -12   19 o  212.460   11.332  570.303   59.903  572.691   76.090  566.410   97.148  212.131   14.450  209.616   18.757 2.514893 23.67797 
1 1 1    0  -12   20 f  193.973   18.274  485.510   87.473   0.0000   0.0000  485.510   87.473  ?   ?   193.973   18.274 0.000000 18.27377 
1 1 1    0  -12   21 o  208.956   13.962  555.939   72.432  555.939   72.432   0.0000   0.0000  208.956   13.962  ?   ?  0.000000 13.96151 
1 1 1    0  -12   22 o  368.785   14.149  1726.23  130.305  1847.52  162.432  1507.25  218.253  380.092   17.113  337.219   26.122 42.87329 31.22815 
1 1 1    0  -12   23 o  150.006   11.009  285.380   40.950  312.595   56.459  255.173   59.483  156.133   14.652  140.156   17.367 15.97774 22.72245 
1 1 1    0  -12   24 o   66.432   15.123   58.424   24.526   44.691   40.680   66.265   30.741   61.501   21.500   70.506   17.533 -9.005451 27.74307 
1 1 1    0  -12   25 o  175.927   11.526  393.099   50.358  451.018   69.587  329.415   72.968  187.436   14.992  158.712   18.775 28.72421 24.02616 
1 1 1    0  -12   26 o   75.309   14.948   74.916   27.119   63.878   46.498   80.607   33.385   70.341   22.994   77.593   17.630 -7.251907 28.97527 
1 1 1    0  -12   27 o  290.458   12.966  1075.24   94.045  1152.58  120.914  956.812  149.625  298.583   16.278  267.748   22.589 30.83459 27.84326 
1 1 1    0  -12   28 o  189.217   11.845  457.899   55.688  514.560   77.404  397.105   80.178  198.882   15.713  173.018   18.863 25.86391 24.55020 
1 1 1    0  -12   29 o  112.058   15.399  166.001   41.952  259.181  114.804  151.641   45.069  128.330   34.902  106.131   17.624 22.19904 39.09871 
1 1 1    0  -12   30 o  164.524   11.668  349.476   47.628  432.750   69.839  277.070   65.122  180.906   15.612  142.732   18.722 38.17433 24.37749 
1 1 1    0  -12   31 o   84.292   14.617   95.892   29.652  100.703   52.244   93.606   36.015   82.418   23.955   81.777   18.113 0.6411285 30.03217 
1 1 1    0  -12   32 f  110.914   26.508  192.491   72.420  192.491   72.420   0.0000   0.0000  110.914   26.508  ?   ?  0.000000 26.50804 
1 1 1    0  -12   33 o  102.453   13.939  142.137   34.737  196.981   61.859  116.877   41.981  114.548   22.428   89.648   19.322 24.89964 29.60358 
1 1 1    0  -12   34 o   75.148   16.038   80.082   29.180  129.790   60.708   65.147   33.276   88.733   25.832   66.384   19.067 22.34951 32.10665 
1 1 1    0  -12   35 o   28.836   12.857  -4.6657   18.777   37.953   58.485  -9.5636   19.827   57.862   24.193   28.065   12.795 29.79688 27.36791 
1 1 1    0  -12   36 o   49.274   17.599   33.630   27.376  196.551  133.960   26.529   27.966   86.040   36.330   46.088   17.545 39.95200 40.34522 
1 1 1    0  -12   37 o  117.106   18.405  209.132   52.048  194.495  153.678  211.028   55.317   78.416   35.700  116.061   19.796 -37.64499 40.82130 
1 1 1    0  -11    1 o  402.226   12.965  2027.98  130.229  2028.24  184.145  2027.72  184.199  401.463   18.368  401.409   18.376 0.5364990E-01 25.98193 
1 1 1    0  -11    2 o   78.592   7.2425   77.860   14.054   68.629   19.745   87.340   20.009   73.216   11.151   82.974   9.8492 -9.757813 14.87829 
1 1 1    0  -11    3 o   74.255   12.565   70.945   22.467   35.797   34.088   97.941   29.874   56.508   19.685   87.295   14.192 -30.78647 24.26772 
1 1 1    0  -11    4 o  498.195   17.722  3115.77  220.472  3329.12  270.523  2693.76  380.464  514.400   21.060  458.935   33.428 55.46436 39.50856 
1 1 1    0  -11    5 f  626.423   22.361  4939.36  349.784  4992.36  428.665  4833.75  605.088  628.531   27.311  613.202   39.729 15.32916 48.21086 
1 1 1    0  -11    6 o  281.641   12.626  992.886   88.797  906.694  108.969  1163.24  153.197  268.422   16.334  303.575   20.326 -35.15302 26.07586 
1 1 1    0  -11    7 o  460.117   17.365  2655.79  199.521  2712.81  244.727  2542.74  344.557  464.514   21.098  446.897   31.068 17.61801 37.55425 
1 1 1    0  -11    8 o  916.093   58.838 11089.74  1338.88 11089.74  1338.88   0.0000   0.0000  916.093   58.838  ?   ?  0.000000 58.83767 
1 1 1    0  -11    9 o  313.831   11.978  1232.64   93.873  1343.09  115.800  1020.93  160.322  327.436   14.162  283.844   22.811 43.59171 26.84977 
1 1 1    0  -11   10 o  355.612   13.740  1584.20  122.014  1673.61  150.254  1411.08  209.078  365.246   16.474  333.380   25.303 31.86551 30.19295 
1 1 1    0  -11   11 o  656.458   23.210  5436.54  380.483  5728.03  466.789  4859.45  656.786  672.326   27.803  611.538   43.288 60.78760 51.44731 
1 1 1    0  -11   12 o  471.245   17.554  2791.51  206.577  2880.99  253.747  2615.65  355.726  477.990   21.258  451.698   31.738 26.29239 38.19995 
1 1 1    0  -11   13 o  245.255   12.901  756.300   78.733  950.887  118.023  600.267  105.687  274.377   17.314  217.317   19.689 57.06000 26.21879 
1 1 1    0  -11   14 o  449.315   16.800  2542.23  188.501  2632.40  231.836  2366.33  323.801  456.313   20.345  428.375   30.468 27.93817 36.63655 
1 1 1    0  -11   15 o  381.802   14.074  1833.04  134.189  2000.84  165.798  1514.39  228.474  398.330   16.668  342.870   26.900 55.45966 31.64559 
1 1 1    0  -11   16 o  377.756   14.056  1796.72  132.597  1940.27  163.849  1524.29  225.720  391.872   16.744  343.359   26.531 48.51257 31.37256 
1 1 1    0  -11   17 o  319.059   23.995  1314.38  189.780  1314.38  189.780   0.0000   0.0000  319.059   23.995  ?   ?  0.000000 23.99505 
1 1 1    0  -11   18 o  114.577   10.260  166.202   29.046  182.091   39.534  147.564   42.816  119.402   13.496  106.664   16.616 12.73763 21.40587 
1 1 1    0  -11   19 o  242.370   10.637  738.786   64.381  830.429   81.883  590.406  104.192  256.553   12.781  213.960   19.723 42.59256 23.50192 
1 1 1    0  -11   20 o  102.775   11.238  134.578   28.372  132.587   39.793  136.637   40.463  100.902   16.352  102.463   16.365 -1.560005 23.13423 
1 1 1    0  -11   21 o  189.826   10.291  454.718   48.600  520.578   63.591  362.227   75.359  202.624   12.630  167.346   18.333 35.27818 22.26281 
1 1 1    0  -11   22 o  118.334   12.070  178.579   35.168  483.679   81.002  107.709   39.039  194.005   16.888   90.266   17.951 103.7389 24.64661 
1 1 1    0  -11   23 o  358.221   13.938  1627.33  124.683  1750.73  155.501  1405.15  208.650  370.256   16.818  325.946   25.846 44.30975 30.83636 
1 1 1    0  -11   24 o  357.050   13.832  1617.53  123.325  1752.66  154.379  1379.21  205.018  370.321   16.694  322.644   25.658 47.67664 30.61064 
1 1 1    0  -11   25 o  178.118   11.024  401.932   48.794  459.023   66.750  336.420   71.504  189.523   14.207  160.869   18.115 28.65475 23.02147 
1 1 1    0  -11   26 o  153.271   21.068  310.734   78.506  310.734   78.506   0.0000   0.0000  153.271   21.068  ?   ?  0.000000 21.06832 
1 1 1    0  -11   27 o  188.460   11.669  451.539   54.649  487.830   74.433  409.099   80.492  194.643   15.440  176.965   18.487 17.67816 24.08706 
1 1 1    0  -11   28 o  360.303   13.969  1659.59  125.688  1837.99  158.951  1361.92  205.318  377.161   16.877  316.417   26.221 60.74405 31.18261 
1 1 1    0  -11   29 o  109.902   12.572  156.148   33.883  178.658   53.782  141.333   43.632  115.174   19.388  102.824   17.627 12.34986 26.20305 
1 1 1    0  -11   30 o  107.149   15.424  152.016   40.080  256.017  111.035  136.434   42.978  128.144   34.100  100.495   17.776 27.64819 38.45479 
1 1 1    0  -11   31 o   91.592   14.150  111.452   31.321  111.602   53.057  111.372   38.803   87.783   23.665   90.062   17.884 -2.278679 29.66291 
1 1 1    0  -11   32 o  154.316   12.607  311.475   48.158  350.222   72.634  281.082   64.329  159.654   18.565  142.948   18.452 16.70613 26.17503 
1 1 1    0  -11   33 o   92.329   15.082  116.199   33.573   98.224   58.170  125.177   41.110   79.848   25.690   94.261   18.123 -14.41286 31.43892 
1 1 1    0  -11   34 o  166.910   12.314  368.140   50.963  483.907   77.907  281.547   67.379  187.158   16.850  139.936   19.837 47.22168 26.02751 
1 1 1    0  -11   35 o  146.896   12.891  288.956   46.810  367.421   75.243  239.412   59.789  159.508   19.281  128.561   19.213 30.94711 27.21958 
1 1 1    0  -11   36 o   38.975   15.389   14.691   22.121   9.0483   59.979   15.579   23.799   51.823   23.052   40.162   15.929 11.66082 28.02014 
1 1 1    0  -11   37 o   60.554   18.577   55.761   30.772  119.172  140.399   52.561   31.538   75.086   34.160   58.856   18.914 16.22995 39.04674 
1 1 1    0  -10    1 o  126.767   8.0054  201.830   25.212  202.937   35.615  200.717   35.695  126.739   11.374  126.027   11.468 0.7119751 16.15163 
1 1 1    0  -10    2 o  267.106   10.391  893.408   69.309  915.755   98.030  871.072   98.006  269.655   14.612  262.915   14.990 6.740631 20.93350 
1 1 1    0  -10    3 o  234.973   10.578  691.187   62.066  719.375   76.306  636.076  106.695  239.231   12.819  223.928   19.268 15.30302 23.14287 
1 1 1    0  -10    4 o  131.042   11.693  216.696   37.861  189.656   55.007  241.039   52.191  121.429   18.744  137.763   15.436 -16.33411 24.28171 
1 1 1    0  -10    5 o  171.887   9.7223  370.700   41.560  364.661   51.252  382.296   71.021  170.243   12.135  173.774   16.567 -3.530594 20.53596 
1 1 1    0  -10    6 o  371.940   14.730  1733.50  136.812  1691.10  167.762  1817.69  236.398  367.006   18.305  378.764   25.136 -11.75797 31.09505 
1 1 1    0  -10    7 o  338.528   13.071  1434.75  110.496  1533.82  135.818  1240.81  190.022  349.827   15.547  312.833   24.521 36.99417 29.03410 
1 1 1    0  -10    8 o  506.000   18.722  3214.11  236.573  3294.64  290.112  3054.28  408.712  511.652   22.706  489.239   33.659 22.41367 40.60129 
1 1 1    0  -10    9 o  174.409   17.259  385.235   74.183  385.235   74.183   0.0000   0.0000  174.409   17.259  ?   ?  0.000000 17.25929 
1 1 1    0  -10   10 o  644.609   23.135  5232.57  372.411  5331.95  456.570  5035.02  643.732  649.377   28.155  625.224   41.466 24.15253 50.12122 
1 1 1    0  -10   11 o  311.228   13.714  1213.29  106.584  1135.09  131.118  1365.62  182.999  300.220   17.566  328.568   22.438 -28.34857 28.49571 
1 1 1    0  -10   12 o  196.125   10.643  482.694   51.930  481.858   64.948  484.175   86.465  195.671   13.372  195.533   17.907 0.1382751 22.34879 
1 1 1    0  -10   13 o  236.220   11.502  698.660   67.846  692.351   84.426  710.164  114.000  234.517   14.487  236.764   19.453 -2.247055 24.25506 
1 1 1    0  -10   14 o  300.435   14.448  1132.85  108.396  1359.33  158.755  935.049  148.362  327.847   19.479  271.147   22.104 56.69977 29.46159 
1 1 1    0  -10   15 o  467.395   17.260  2751.53  201.452  2880.82  247.743  2499.19  346.103  477.319   20.785  439.897   31.720 37.42169 37.92269 
1 1 1    0  -10   16 o   67.028   12.636   58.241   20.375   35.348   29.356   79.521   28.302   54.557   18.288   78.206   15.038 -23.64826 23.67663 
1 1 1    0  -10   17 o  303.059   12.213  1153.89   92.429  1246.89  114.977  984.001  155.399  314.613   14.635  276.917   22.671 37.69589 26.98430 
1 1 1    0  -10   18 o   92.198   10.750  108.162   24.286  118.512   34.109   97.518   34.589   95.843   14.722   86.382   16.638 9.460419 22.21651 
1 1 1    0  -10   20 o  177.525   13.554  400.276   59.633  400.276   59.633   0.0000   0.0000  177.525   13.554  ?   ?  0.000000 13.55409 
1 1 1    0  -10   21 o   44.358   13.745   24.794   16.796   22.683   28.602   25.905   20.752   47.928   17.851   46.326   15.372 1.602070 23.55764 
1 1 1    0  -10   22 o  268.392   11.345  907.746   76.040  1017.91   96.341  725.717  123.838  283.643   13.602  236.436   21.200 47.20677 25.18772 
1 1 1    0  -10   23 o  154.308   12.853  303.014   49.075  435.108   91.405  249.516   58.170  182.807   20.369  138.852   17.140 43.95573 26.62127 
1 1 1    0  -10   24 o  232.701   12.616  686.520   73.038  627.358   93.178  780.802  117.626  221.038   17.012  245.787   19.320 -24.74896 25.74219 
1 1 1    0  -10   25 o  179.059   10.609  405.431   47.227  470.008   63.748  326.876   70.310  192.156   13.368  158.732   18.059 33.42393 22.46882 
1 1 1    0  -10   26 o   92.580   12.305  110.265   27.744  121.342   43.539  102.692   36.000   95.540   18.918   88.188   16.963 7.351250 25.40951 
1 1 1    0  -10   27 o  161.197   20.385  341.840   80.225  341.840   80.225   0.0000   0.0000  161.197   20.385  ?   ?  0.000000 20.38544 
1 1 1    0  -10   28 o  145.423   11.614  269.434   41.824  306.013   60.763  236.500   57.656  153.708   16.068  134.424   17.598 19.28394 23.83017 
1 1 1    0  -10   29 o  239.480   11.929  728.509   71.336  802.974   94.727  630.952  108.424  249.641   15.269  218.698   20.077 30.94341 25.22357 
1 1 1    0  -10   30 o   45.618   15.437   25.307   20.919  -5.1893   44.764   33.828   23.661   46.363   20.294   51.361   16.369 -4.997749 26.07335 
1 1 1    0  -10   31 f  195.031   13.378  492.165   64.760  1001.31  136.845  345.240   73.512  272.803   20.232  160.476   18.695 112.3270 27.54660 
1 1 1    0  -10   32 o   48.050   15.646   29.735   21.537   43.362   49.451   26.545   23.925   61.465   23.347   46.926   16.484 14.53807 28.57984 
1 1 1    0  -10   33 o   59.163   16.079   48.248   24.375  116.675   54.032   30.764   27.312   88.602   23.880   49.831   17.602 38.77170 29.66592 
1 1 1    0  -10   34 o  223.508   12.737  656.759   70.798  742.686   98.749  565.878  101.556  233.157   17.079  199.465   20.690 33.69223 26.82824 
1 1 1    0  -10   35 o   70.701   27.448   72.098   69.381   72.098   69.381   0.0000   0.0000   70.701   27.448  ?   ?  0.000000 27.44789 
1 1 1    0  -10   36 o  125.847   13.619  214.117   42.116  263.584   71.947  188.330   51.947  131.644   22.706  114.122   18.889 17.52177 29.53547 
1 1 1    0  -10   37 o  163.016   13.083  359.366   52.809  501.415   86.885  276.148   66.502  185.157   19.064  135.952   20.203 49.20514 27.77731 
1 1 1    0  -10   38 o   50.488   17.892   35.838   28.244  199.950  141.885   29.066   28.821   85.581   36.801   47.440   17.870 38.14135 40.91062 
1 1 1    0   -9    1 o   44.343   8.4070   25.423   8.9687   23.030   12.588   27.891   12.781   42.202   11.590   46.247   11.189 -4.045422 16.10962 
1 1 1    0   -9    2 o  356.757   12.399  1597.05  110.460  1639.13  156.255  1555.01  156.172  360.572   17.354  350.649   17.895 9.923035 24.92743 
1 1 1    0   -9    3 o  183.535   9.6840  422.932   44.226  414.060   54.372  440.280   76.030  181.313   12.078  186.310   16.513 -4.997726 20.45836 
1 1 1    0   -9    4 o  438.840   16.539  2421.68  181.249  2487.56  222.208  2290.71  313.301  444.035   20.040  422.456   29.891 21.57956 35.98710 
1 1 1    0   -9    5 o   50.119   9.3531   32.441   11.275   34.415   14.587   29.509   17.772   51.409   11.634   48.057   13.972 3.351521 18.18193 
1 1 1    0   -9    6 o  428.112   19.935  2305.50  213.118  2414.81  302.287  2197.47  300.511  435.740   27.928  415.242   29.166 20.49857 40.38051 
1 1 1    0   -9    7 f  399.153   15.183  1997.05  151.336  2035.20  185.658  1921.51  261.253  402.573   18.468  388.986   27.064 13.58740 32.76456 
1 1 1    0   -9    8 o  113.362   9.1497  161.711   25.681  152.593   32.137  177.820   42.716  109.785   11.913  118.222   14.793 -8.436691 18.99367 
1 1 1    0   -9    9 o  181.648   10.109  413.904   45.674  405.694   56.537  429.326   77.493  179.590   12.688  184.248   17.036 -4.657898 21.24158 
1 1 1    0   -9   10 o  355.327   13.975  1581.12  123.999  1695.83  152.500  1357.30  213.017  367.767   16.605  326.966   26.312 40.80075 31.11358 
1 1 1    0   -9   11 o  160.444   11.810  323.851   46.986  316.651   66.721  330.935   66.179  157.965   17.192  161.609   16.636 -3.644485 23.92318 
1 1 1    0   -9   12 o  818.893   28.746  8487.48  587.838  8812.51  720.691  7841.42  1016.09  831.865   34.693  773.169   52.945 58.69629 63.29954 
1 1 1    0   -9   13 o  631.611   22.529  5026.88  355.343  5248.01  435.958  4589.17  613.358  644.041   27.107  595.721   41.490 48.31903 49.55988 
1 1 1    0   -9   14 o  262.142   12.023  860.569   78.708  864.454   97.599  853.344  133.105  262.097   14.974  259.478   20.715 2.619415 25.56017 
1 1 1    0   -9   15 o  165.472   10.334  344.092   42.487  347.128   54.350  339.320   68.131  165.864   13.232  163.424   16.941 2.439590 21.49593 
1 1 1    0   -9   16 o  231.889   11.118  673.796   64.379  683.700   80.650  656.400  106.883  232.943   13.928  227.335   19.002 5.608383 23.55979 
1 1 1    0   -9   17 o  314.896   13.749  1246.15  108.119  1181.51  133.606  1368.80  184.038  305.504   17.587  327.483   22.643 -21.97992 28.67119 
1 1 1    0   -9   18 o  200.109   10.752  503.785   53.534  520.496   68.066  476.683   86.682  202.974   13.506  193.265   18.174 9.709412 22.64315 
1 1 1    0   -9   19 o  397.056   15.514  1991.46  153.828  2021.99  189.778  1932.96  262.662  398.921   19.051  385.598   27.457 13.32318 33.41905 
1 1 1    0   -9   20 o  252.286   21.095  819.657  131.679  819.657  131.679   0.0000   0.0000  252.286   21.095  ?   ?  0.000000 21.09488 
1 1 1    0   -9   21 o  130.410   10.574  215.192   34.138  220.291   46.110  209.007   50.786  131.251   14.300  127.340   16.349 3.911354 21.71993 
1 1 1    0   -9   22 f   90.905   11.416  105.667   25.343   95.587   36.225  115.330   35.468   85.119   17.623   94.151   15.634 -9.032768 23.55805 
1 1 1    0   -9   23 o  187.041   10.556  441.619   49.103  485.416   64.411  380.850   75.872  195.525   13.270  171.836   17.946 23.68962 22.31968 
1 1 1    0   -9   24 o  113.267   12.806  164.120   35.586  336.436   80.553  122.336   39.667  160.467   20.576   96.603   17.067 63.86429 26.73339 
1 1 1    0   -9   25 o  454.892   16.480  2637.90  187.199  2812.09  231.933  2312.33  317.082  467.498   19.867  414.466   30.857 53.03189 36.69951 
1 1 1    0   -9   26 o  124.150   15.528  199.074   47.089  199.074   47.089   0.0000   0.0000  124.150   15.528  ?   ?  0.000000 15.52829 
1 1 1    0   -9   27 o  204.023   11.715  527.581   59.434  548.105   78.858  500.592   90.431  206.873   15.375  196.486   18.654 10.38696 24.17334 
1 1 1    0   -9   28 o   88.329   13.729  101.343   29.300   86.827   46.690  110.773   37.632   80.289   22.425   91.576   17.084 -11.28714 28.19140 
1 1 1    0   -9   29 o  248.668   12.253  784.258   76.088  851.736  100.297  692.775  116.783  257.438   15.676  229.701   20.578 27.73764 25.86846 
1 1 1    0   -9   30 o  120.850   12.468  187.680   37.087  204.230   58.239  176.390   48.100  123.754   19.490  115.667   17.174 8.086899 25.97722 
1 1 1    0   -9   31 o   79.318   14.235   83.154   27.160  118.748   50.872   68.964   32.121   92.458   22.293   71.272   18.033 21.18636 28.67362 
1 1 1    0   -9   32 o   70.968   15.830   68.093   27.340   43.935   53.544   76.613   31.797   63.354   24.240   74.938   17.336 -11.58403 29.80098 
1 1 1    0   -9   33 o  144.556   12.582  271.819   44.967  287.300   68.296  259.973   59.743  144.869   19.363  138.739   17.643 6.130005 26.19573 
1 1 1    0   -9   34 o  154.925   12.505  313.860   47.967  352.824   72.274  283.186   64.126  160.304   18.387  143.512   18.311 16.79243 25.94954 
1 1 1    0   -9   35 o  144.727   12.741  276.407   45.577  359.891   74.087  225.574   57.812  160.467   18.847  126.721   18.843 33.74609 26.65085 
1 1 1    0   -9   36 o   95.447   29.582  155.232   77.800  155.232   77.800   0.0000   0.0000   95.447   29.582  ?   ?  0.000000 29.58196 
1 1 1    0   -9   37 o   70.296   17.331   71.399   30.230   46.494   66.246   77.949   33.973   62.625   25.929   72.850   18.608 -10.22498 31.91492 
1 1 1    0   -9   38 o   99.926   16.472  142.380   39.670   99.723   77.272  157.646   46.226   75.235   29.034  103.599   18.550 -28.36366 34.45377 
1 1 1    0   -9   39 o   44.630   16.946   24.532   26.044   21.530  145.007   24.632   26.474   65.500   31.330   44.803   17.067 20.69682 35.67705 
1 1 1    0   -8    1 o   82.120   6.9316   84.924   14.082   80.935   19.874   88.947   19.955   79.738   10.216   83.722   9.7261 -3.983597 14.10527 
1 1 1    0   -8    2 o  193.960   12.275  473.902   59.146  456.589   83.034  491.734   84.271  189.447   17.759  196.748   17.329 -7.300293 24.81268 
1 1 1    0   -8    3 o  433.174   16.415  2363.88  177.566  2442.62  217.669  2207.23  306.999  439.432   19.836  413.338   29.946 26.09402 35.91953 
1 1 1    0   -8    4 o  288.595   12.483  1045.05   89.965  1034.07  110.309  1066.84  155.473  286.289   15.487  289.387   21.672 -3.098541 26.63674 
1 1 1    0   -8    5 o  212.301   10.176  564.405   53.948  587.304   66.321  519.619   92.749  216.069   12.343  202.191   18.577 13.87746 22.30379 
1 1 1    0   -8    6 o   95.849   9.0432  115.947   21.389  101.017   26.618  143.160   35.936   88.953   12.313  105.940   13.921 -16.98679 18.58506 
1 1 1    0   -8    7 o  466.631   21.646  2743.58  252.232  2753.17  357.395  2734.05  356.029  464.269   31.005  462.650   30.996 1.618744 43.84113 
1 1 1    0   -8    8 o  192.389   9.8773  464.131   47.294  481.523   58.381  430.929   80.663  195.774   12.000  184.446   17.731 11.32857 21.40994 
1 1 1    0   -8    9 o  331.619   13.408  1376.97  111.036  1395.73  136.356  1340.05  191.300  333.640   16.366  325.330   23.710 8.310577 28.81036 
1 1 1    0   -8   10 o  299.972   13.137  1126.44   98.411  1068.02  120.855  1241.42  169.540  291.388   16.678  313.458   21.795 -22.07001 27.44404 
1 1 1    0   -8   11 o  212.312   9.9367  563.650   52.682  618.436   65.413  462.516   88.876  222.008   11.842  191.041   18.877 30.96692 22.28350 
1 1 1    0   -8   12 o  540.018   35.264  3725.40  472.939  3725.40  472.939   0.0000   0.0000  540.018   35.264  ?   ?  0.000000 35.26445 
1 1 1    0   -8   13 o  141.859   9.9831  252.915   35.140  252.520   44.708  253.554   56.838  141.451   12.795  141.255   16.420 0.1958771 20.81644 
1 1 1    0   -8   14 o  560.310   20.352  3948.84  284.763  4084.55  349.478  3680.73  491.216  568.898   24.600  535.286   36.975 33.61206 44.41057 
1 1 1    0   -8   15 o  638.794   22.455  5147.16  358.199  5495.16  439.692  4460.46  617.650  658.643   26.733  585.663   42.522 72.98065 50.22738 
1 1 1    0   -8   16 o  424.478   15.811  2263.26  167.595  2377.06  206.258  2042.13  287.522  434.440   19.012  399.401   29.026 35.03934 34.69843 
1 1 1    0   -8   17 o  183.980   14.533  427.784   66.226  300.561   99.595  528.623   88.669  151.350   27.359  204.127   17.566 -52.77701 32.51237 
1 1 1    0   -8   18 o  372.775   26.322  1784.36  243.453   0.0000   0.0000  1784.36  243.453  ?   ?   372.775   26.322 0.000000 26.32193 
1 1 1    0   -8   19 o  215.495   13.687  586.578   73.273  586.578   73.273   0.0000   0.0000  215.495   13.687  ?   ?  0.000000 13.68718 
1 1 1    0   -8   20 o  189.527   10.613  452.333   50.027  466.355   63.867  430.068   80.477  191.973   13.407  183.368   17.799 8.604889 22.28337 
1 1 1    0   -8   21 o   66.770   18.960   58.249   33.091   58.249   33.091   0.0000   0.0000   66.770   18.960  ?   ?  0.000000 18.96004 
1 1 1    0   -8   22 o  125.716   9.9591  199.754   31.009  236.264   42.417  157.840   45.448  136.332   12.602  110.232   17.061 26.10019 21.21071 
1 1 1    0   -8   23 f  103.991   10.572  137.389   27.073  170.549   39.369  107.638   37.290  115.330   13.954   90.565   17.116 24.76491 22.08296 
1 1 1    0   -8   24 o  176.245   10.800  392.414   47.305  416.690   62.146  358.972   72.941  180.969   13.857  166.855   17.780 14.11446 22.54194 
1 1 1    0   -8   25 o  357.170   14.546  1617.38  129.737  1648.15  161.493  1561.38  217.864  358.646   18.090  344.756   25.487 13.89035 31.25409 
1 1 1    0   -8   26 o  167.604   12.517  356.819   52.012  656.526  103.501  255.563   60.160  225.682   18.529  140.425   17.538 85.25694 25.51293 
1 1 1    0   -8   27 o  334.589   13.926  1419.50  116.354  1470.53  146.264  1331.55  192.024  338.713   17.351  318.300   24.343 20.41217 29.89346 
1 1 1    0   -8   28 o   98.387   12.685  124.460   30.441  129.965   48.286  120.830   39.215   98.636   20.281   95.866   17.003 2.770187 26.46581 
1 1 1    0   -8   29 o  109.633   12.420  154.085   33.402  162.630   51.741  147.979   43.736  110.741   19.418  106.210   17.068 4.530029 25.85322 
1 1 1    0   -8   30 o   64.447   23.950   44.909   51.424   44.909   51.424   0.0000   0.0000   64.447   23.950  ?   ?  0.000000 23.94956 
1 1 1    0   -8   31 o   54.979   15.695   39.899   22.614   30.593   46.275   42.818   25.919   57.636   22.405   57.067   16.952 0.5694313 28.09551 
1 1 1    0   -8   32 o   64.547   15.202   55.891   24.100  104.400   50.715   41.741   27.390   86.464   23.063   56.457   17.561 30.00631 28.98801 
1 1 1    0   -8   33 o   54.542   15.642   39.826   22.410   62.206   49.884   34.168   25.084   68.824   23.823   51.613   16.890 17.21157 29.20223 
1 1 1    0   -8   34 o  213.851   14.207  599.165   75.437  1025.33  149.294  453.055   87.417  271.260   22.235  182.061   19.533 89.19923 29.59626 
1 1 1    0   -8   35 o  161.322   12.251  339.724   48.986  422.328   75.311  279.147   64.493  176.299   17.330  142.195   18.609 34.10330 25.42901 
1 1 1    0   -8   36 o  136.442   13.144  246.736   44.231  298.493   73.503  217.355   55.380  144.164   21.037  124.703   18.331 19.46095 27.90287 
1 1 1    0   -8   37 o   54.843   24.594   0.4462   69.767   0.4462   69.767   0.0000   0.0000   54.843   24.594  ?   ?  0.000000 24.59406 
1 1 1    0   -8   38 o  120.161   14.506  197.391   42.647  227.693   78.427  184.670   50.816  117.289   27.290  113.156   18.632 4.133270 33.04397 
1 1 1    0   -8   39 o  182.946   15.290  465.051   69.212  608.031  129.541  407.931   81.878  188.384   28.421  165.234   20.269 23.14998 34.90786 
1 1 1    0   -7    1 o  152.564   6.7810  290.943   25.834  286.069   36.508  295.832   36.563  150.879   9.7416  153.457   9.5892 -2.578232 13.66935 
1 1 1    0   -7    2 o  161.713   7.9542  327.087   32.121  317.676   45.413  336.509   45.439  158.805   11.530  163.508   11.196 -4.702927 16.07161 
1 1 1    0   -7    3 o  126.559   15.511  204.423   47.996  204.423   47.996   0.0000   0.0000  126.559   15.511  ?   ?  0.000000 15.51123 
1 1 1    0   -7    4 o  516.782   19.035  3374.30  245.650  3522.75  301.120  3078.94  424.746  526.642   22.897  485.617   35.266 41.02460 42.04711 
1 1 1    0   -7    5 o  327.232   13.178  1344.54  107.684  1360.54  132.061  1312.79  186.021  328.722   16.088  320.612   23.396 8.110382 28.39337 
1 1 1    0   -7    6 o  269.292   11.911  909.231   80.100  900.472   98.280  926.560  138.235  267.292   14.782  269.962   20.662 -2.670502 25.40509 
1 1 1    0   -7    7 o  289.378   12.223  1049.40   88.325  1069.19  108.421  1010.36  152.298  291.453   14.947  282.011   21.795 9.442535 26.42809 
1 1 1    0   -7    8 o  335.964   16.300  1416.78  136.755  1544.50  194.499  1291.90  192.321  349.263   22.419  318.890   24.335 30.37341 33.08753 
1 1 1    0   -7    9 o  442.926   16.362  2460.79  180.976  2599.51  222.082  2186.57  312.248  454.793   19.555  414.141   30.405 40.65286 36.15048 
1 1 1    0   -7   10 o  424.263   16.425  2256.91  174.022  2212.04  213.357  2346.10  300.781  419.552   20.364  429.933   28.171 -10.38113 34.76107 
1 1 1    0   -7   11 o  323.453   13.090  1309.63  105.729  1366.37  130.012  1198.83  181.680  330.197   15.767  307.665   23.833 22.53174 28.57660 
1 1 1    0   -7   12 o  521.731   19.415  3417.56  252.956  3418.05  310.156  3416.58  437.150  521.040   23.837  517.656   34.006 3.383789 41.52903 
1 1 1    0   -7   13 o  677.942   43.453  5924.12  731.771  5924.12  731.771   0.0000   0.0000  677.942   43.453  ?   ?  0.000000 43.45346 
1 1 1    0   -7   14 f  284.223   13.546  1011.61   96.141  900.379  118.462  1226.25  164.555  267.267   17.852  311.547   21.279 -44.28058 27.77543 
1 1 1    0   -7   15 o  339.672   13.106  1444.96  111.166  1574.16  137.221  1198.25  189.618  354.319   15.509  307.127   24.939 47.19177 29.36781 
1 1 1    0   -7   16 o  622.696   22.201  4889.71  345.216  5139.25  423.701  4396.92  595.411  637.006   26.636  582.187   41.221 54.81970 49.07802 
1 1 1    0   -7   17 o  135.391   10.998  231.046   36.862  185.842   47.961  296.290   57.620  120.533   16.357  152.865   15.300 -32.33195 22.39718 
1 1 1    0   -7   18 o  262.042   22.345  875.705  144.820  875.705  144.820   0.0000   0.0000  262.042   22.345  ?   ?  0.000000 22.34476 
1 1 1    0   -7   19 o  184.907   11.114  430.245   51.082  401.304   64.722  478.049   83.183  178.024   14.690  193.914   17.362 -15.89020 22.74270 
1 1 1    0   -7   20 o  321.886   13.366  1303.23  107.433  1331.17  133.104  1251.01  181.979  324.293   16.491  312.160   23.518 12.13348 28.72322 
1 1 1    0   -7   21 o  159.563   10.299  320.847   40.820  328.582   52.833  309.390   64.298  161.004   13.258  155.476   16.830 5.528152 21.42487 
1 1 1    0   -7   22 o  163.844   10.403  338.526   42.342  356.229   55.171  313.155   66.049  167.580   13.293  156.191   17.220 11.38899 21.75400 
1 1 1    0   -7   23 o   69.437   19.937   63.133   36.387   63.133   36.387   0.0000   0.0000   69.437   19.937  ?   ?  0.000000 19.93678 
1 1 1    0   -7   24 o  136.656   10.839  236.391   36.685  228.430   49.524  246.072   54.609  133.454   15.128  138.337   16.110 -4.882874 22.09913 
1 1 1    0   -7   25 o  199.162   11.664  501.546   57.759  477.414   74.592  537.683   91.279  193.342   15.582  204.498   18.060 -11.15637 23.85276 
1 1 1    0   -7   26 o  100.056   11.967  128.021   29.308  127.289   43.474  128.631   39.680   98.295   18.387   99.265   16.593 -0.9703674 24.76736 
1 1 1    0   -7   27 o  102.795   15.400  137.069   38.313   80.910   90.328  149.389   42.308   85.317   31.734  107.174   16.324 -21.85635 35.68660 
1 1 1    0   -7   28 o  365.988   15.070  1702.51  137.729  1721.08  172.332  1669.69  229.146  365.668   18.937  355.506   25.992 10.16220 32.15882 
1 1 1    0   -7   29 o  144.925   11.412  266.722   40.965  312.281   60.039  227.039   56.034  155.808   15.642  132.113   17.409 23.69554 23.40376 
1 1 1    0   -7   30 o   58.696   15.205   45.570   22.465   63.516   44.750   39.524   25.976   70.178   22.527   55.451   17.078 14.72687 28.26895 
1 1 1    0   -7   31 o  224.304   22.613  667.981  124.933  667.981  124.933   0.0000   0.0000  224.304   22.613  ?   ?  0.000000 22.61279 
1 1 1    0   -7   32 o   74.779   14.580   74.006   26.249  100.431   50.112   64.015   30.814   85.345   22.995   68.940   17.782 16.40561 29.06888 
1 1 1    0   -7   33 o   54.647   15.838   39.639   22.868   38.006   50.088   40.069   25.703   60.881   23.408   55.242   16.984 5.638935 28.92038 
1 1 1    0   -7   34 o  106.011   13.127  146.869   34.009  194.445   59.643  123.947   41.399  118.625   20.897   95.410   18.037 23.21542 27.60468 
1 1 1    0   -7   35 o  116.508   15.154  180.907   43.045  370.244  124.410  155.160   45.878  151.703   33.715  106.476   17.889 45.22724 38.16732 
1 1 1    0   -7   36 o   50.562   16.259   33.955   23.304   24.738   56.459   35.847   25.586   57.127   23.818   52.016   17.060 5.110512 29.29723 
1 1 1    0   -7   37 o  154.713   12.965  316.297   49.629  391.514   80.633  270.427   62.969  166.504   19.780  139.057   18.599 27.44641 27.15094 
1 1 1    0   -7   38 o   28.195   12.514  -4.4436   17.582 -81.5025   64.797   1.6808   18.267   41.442   20.099   31.173   13.299 10.26918 24.10081 
1 1 1    0   -7   39 o   82.089   19.319   99.760   38.943   0.0000   0.0000   99.760   38.943  ?   ?    82.089   19.319 0.000000 19.31875 
1 1 1    0   -7   40 o   62.465   18.007   57.962   29.631   65.487   76.442   56.632   32.144   66.646   27.745   61.481   19.008 5.164639 33.63125 
1 1 1    0   -6    1 o   90.959   7.1894  104.047   16.197  103.794   22.892  104.301   22.920   90.502   10.313   90.727   10.299 -0.2251511 14.57513 
1 1 1    0   -6    2 o  317.387   11.414  1261.22   90.461  1243.57  127.907  1278.87  127.955  314.288   16.354  318.764   16.127 -4.476776 22.96790 
1 1 1    0   -6    3 o  312.836   12.864  1226.94  100.493  1261.50  123.204  1158.24  173.704  316.913   15.568  301.713   23.234 15.19974 27.96734 
1 1 1    0   -6    4 o  209.209   9.7670  547.983   51.026  599.389   62.694  447.114   87.822  218.383   11.537  187.327   19.038 31.05563 22.26124 
1 1 1    0   -6    5 o  579.158   38.360  4401.56  551.647  4401.56  551.647   0.0000   0.0000  579.158   38.360  ?   ?  0.000000 38.36010 
1 1 1    0   -6    6 o  367.633   14.723  1699.45  135.160  1670.79  165.638  1756.55  233.818  363.379   18.312  370.373   25.435 -6.993958 31.34127 
1 1 1    0   -6    7 f  398.443   15.507  1996.51  154.289  2007.84  189.139  1973.99  266.747  398.859   18.989  392.332   27.399 6.527466 33.33596 
1 1 1    0   -6    8 o  108.756   8.9452  148.971   24.078  132.716   29.882  179.064   40.657  102.230   11.930  118.657   13.990 -16.42609 18.38608 
1 1 1    0   -6    9 o  569.446   20.669  4083.55  293.923  4197.66  360.293  3856.52  508.208  576.202   25.040  546.941   37.434 29.26086 45.03681 
1 1 1    0   -6   10 o  802.826   34.984  8215.37  701.366  8658.09  993.226  7775.03  990.542  814.903   49.036  770.201   51.802 44.70203 71.33067 
1 1 1    0   -6   11 o  260.867   11.746  851.489   76.516  844.889   94.105  864.364  131.438  259.298   14.593  261.512   20.286 -2.214478 24.98906 
1 1 1    0   -6   12 o  283.844   12.197  1008.14   86.454  1017.25  106.401  990.454  148.311  284.569   15.026  279.913   21.379 4.656097 26.13165 
1 1 1    0   -6   13 o  330.193   13.643  1364.99  112.493  1384.19  138.309  1327.46  193.359  331.865   16.743  323.831   24.083 8.033691 29.33154 
1 1 1    0   -6   14 o  221.492   12.479  615.903   68.740  489.676   84.851  856.947  117.254  196.827   17.444  260.721   18.122 -63.89330 25.15354 
1 1 1    0   -6   15 o  488.777   32.408  3045.32  393.311  3045.32  393.311   0.0000   0.0000  488.777   32.408  ?   ?  0.000000 32.40751 
1 1 1    0   -6   16 o  463.946   17.531  2702.09  203.101  2769.82  249.507  2569.09  349.660  469.123   21.298  448.682   31.405 20.44012 37.94623 
1 1 1    0   -6   17 o  421.805   28.718  2268.72  300.698   0.0000   0.0000  2268.72  300.698  ?   ?   421.805   28.718 0.000000 28.71838 
1 1 1    0   -6   18 o  229.874   11.345  661.854   65.125  662.471   81.233  660.743  108.954  229.338   14.255  228.215   19.299 1.123596 23.99290 
1 1 1    0   -6   19 o  405.477   18.915  2074.29  191.527  2231.26  274.668  1925.73  267.207  417.690   26.470  387.443   27.803 30.24738 38.38818 
1 1 1    0   -6   20 o  611.850   22.655  4758.39  346.142  4674.14  424.679  4925.13  597.449  603.496   28.180  610.591   39.393 -7.094971 48.43475 
1 1 1    0   -6   21 o  223.831   10.970  628.713   61.315  659.848   77.378  576.169  100.520  228.600   13.616  212.359   19.162 16.24107 23.50695 
1 1 1    0   -6   22 o  185.389   10.670  432.941   49.186  447.627   63.137  410.269   78.449  188.022   13.538  179.042   17.781 8.980682 22.34836 
1 1 1    0   -6   23 o  119.525   10.441  180.800   30.852  188.025   42.041  172.368   45.416  121.247   14.151  115.585   16.178 5.661697 21.49394 
1 1 1    0   -6   24 o   83.933   20.031   93.592   41.400   93.592   41.400   0.0000   0.0000   83.933   20.031  ?   ?  0.000000 20.03083 
1 1 1    0   -6   25 o  371.442   15.009  1747.67  139.218  1766.94  172.577  1711.76  235.580  372.073   18.574  361.485   26.277 10.58755 32.17888 
1 1 1    0   -6   26 o  340.392   14.090  1466.16  119.764  1501.98  149.351  1401.64  200.454  342.875   17.501  327.539   24.689 15.33606 30.26303 
1 1 1    0   -6   27 o  165.689   11.405  347.505   46.900  340.785   62.897  355.921   70.385  163.099   15.634  166.281   17.199 -3.181274 23.24338 
1 1 1    0   -6   28 o  308.550   16.864  1217.06  129.447  1282.64  196.961  1167.19  171.749  312.214   25.485  299.073   23.178 13.14056 34.44836 
1 1 1    0   -6   29 o  106.719   14.032  146.753   36.489   55.368   53.873  224.215   49.599   69.239   24.692  131.954   15.338 -62.71569 29.06827 
1 1 1    0   -6   30 o  226.791   12.493  652.554   70.478  662.594   93.370  639.257  107.449  227.182   16.573  221.924   19.590 5.257584 25.65944 
1 1 1    0   -6   31 o   93.100   14.179  112.625   31.923   70.378   52.364  137.613   40.272   74.094   24.410  102.550   16.269 -28.45554 29.33526 
1 1 1    0   -6   32 o  149.901   22.424  301.264   81.360  301.264   81.360   0.0000   0.0000  149.901   22.424  ?   ?  0.000000 22.42382 
1 1 1    0   -6   33 o  132.595   12.517  225.919   40.957  249.164   64.599  210.294   52.963  136.725   19.470  126.298   17.243 10.42783 26.00803 
1 1 1    0   -6   34 o  127.014   13.067  208.947   40.854  199.281   64.779  215.330   52.642  120.027   22.437  127.447   16.962 -7.419701 28.12727 
1 1 1    0   -6   35 o   42.830   15.209   21.253   20.418 -34.6983   51.677   31.604   22.227   43.333   20.081   49.441   15.877 -6.107738 25.59904 
1 1 1    0   -6   36 o   62.514   16.760   53.847   26.700  197.438  119.459   46.297   27.393  107.172   36.878   58.255   17.455 48.91758 40.80071 
1 1 1    0   -6   37 o   42.370   15.526   20.334   21.483  -3.6309   60.229   23.828   22.995   51.964   23.108   44.813   16.116 7.150913 28.17269 
1 1 1    0   -6   38 o   39.400   15.103   15.560   20.810 -43.8465   64.213   22.531   21.997   46.294   21.756   43.567   15.750 2.726276 26.85859 
1 1 1    0   -6   39 o   62.554   17.720   56.024   28.940   59.867   73.423   55.317   31.489   67.947   27.621   62.024   18.744 5.922909 33.38076 
1 1 1    0   -6   40 o   72.719   30.021   81.496   88.433   81.496   88.433   0.0000   0.0000   72.719   30.021  ?   ?  0.000000 30.02087 
1 1 1    0   -6   41 o   35.232   14.485   8.5803   20.480   78.672   77.182   3.2714   21.242   69.426   28.282   33.507   14.319 35.91998 31.70003 
1 1 1    0   -5    1 o  434.039   20.348  2367.79  220.542  2334.93  312.013  2400.60  311.775  428.541   29.333  434.670   28.888 -6.128143 41.16900 
1 1 1    0   -5    2 o  766.414   23.600  7405.05  451.676  7285.25  638.629  7524.96  638.903  756.385   33.811  768.965   33.272 -12.57953 47.43614 
1 1 1    0   -5    3 o  497.637   18.585  3112.68  230.955  3069.74  282.878  3198.53  399.978  493.332   22.962  500.175   32.194 -6.842865 39.54383 
1 1 1    0   -5    4 o  172.928   9.1997  375.146   39.584  397.944   48.638  330.420   68.124  177.946   10.999  161.245   17.183 16.70029 20.40233 
1 1 1    0   -5    5 o  200.068   9.2479  500.939   46.203  553.782   56.809  397.684   79.411  209.985   10.871  176.754   18.254 33.23048 21.24590 
1 1 1    0   -5    6 o  324.551   23.652  1344.87  190.370  1344.87  190.370   0.0000   0.0000  324.551   23.652  ?   ?  0.000000 23.65180 
1 1 1    0   -5    7 f  466.577   17.644  2745.56  205.571  2656.21  251.792  2924.16  356.003  457.645   22.032  476.129   30.097 -18.48383 37.29930 
1 1 1    0   -5    8 o  257.520   11.627  831.371   74.770  838.124   91.774  818.040  128.947  257.908   14.306  253.568   20.541 4.340103 25.03136 
1 1 1    0   -5    9 o  255.766   11.424  819.414   72.963  845.839   89.614  767.447  125.668  259.293   13.890  245.788   20.666 13.50476 24.90054 
1 1 1    0   -5   10 o  346.973   13.581  1508.64  117.674  1575.08  144.446  1377.53  202.907  354.246   16.329  329.257   24.861 24.98889 29.74405 
1 1 1    0   -5   11 o  742.232   32.444  6998.96  601.350  7353.92  851.652  6646.01  849.228  753.371   45.482  714.674   47.861 38.69727 66.02523 
1 1 1    0   -5   12 o  466.274   17.162  2726.61  199.827  2868.50  245.181  2445.88  344.866  477.796   20.549  438.195   31.731 39.60065 37.80367 
1 1 1    0   -5   13 o  261.656   11.780  856.543   76.972  855.557   94.774  858.455  131.931  260.962   14.602  260.641   20.434 0.3204041 25.11462 
1 1 1    0   -5   14 o  264.263   12.374  873.862   81.660  822.041  100.521  974.429  140.033  255.645   15.824  277.810   20.326 -22.16451 25.75945 
1 1 1    0   -5   15 o  241.431   11.880  729.311   71.624  702.337   88.526  780.432  121.871  236.298   15.081  248.514   19.802 -12.21602 24.89127 
1 1 1    0   -5   16 o  425.354   28.965  2299.30  305.831  2299.30  305.831   0.0000   0.0000  425.354   28.965  ?   ?  0.000000 28.96506 
1 1 1    0   -5   17 o  430.712   20.690  2333.93  222.534  2333.93  222.534   0.0000   0.0000  430.712   20.690  ?   ?  0.000000 20.68992 
1 1 1    0   -5   18 o  617.718   22.000  4812.35  339.362  5056.45  416.599  4330.88  585.086  631.804   26.405  577.719   40.818 54.08429 48.61449 
1 1 1    0   -5   19 o  410.911   16.694  2122.88  171.300  1995.65  210.505  2372.28  294.731  396.994   21.312  431.003   27.528 -34.00854 34.81321 
1 1 1    0   -5   20 o  609.383   22.469  4706.84  341.914  4696.32  419.503  4727.66  590.122  606.352   27.705  600.261   39.591 6.090454 48.32204 
1 1 1    0   -5   21 o  176.692   14.173  395.102   62.009  314.375   96.424  452.032   80.974  154.891   25.840  188.469   17.401 -33.57845 31.15281 
1 1 1    0   -5   22 o  208.767   10.770  548.336   55.957  573.224   71.016  507.583   90.875  213.028   13.418  199.350   18.465 13.67751 22.82512 
1 1 1    0   -5   23 o  149.238   10.213  280.825   37.834  300.622   49.883  254.013   58.052  153.965   13.099  140.673   16.862 13.29201 21.35143 
1 1 1    0   -5   24 o  117.690   10.544  175.385   30.659  188.599   42.385  160.884   44.402  121.411   14.251  111.535   16.434 9.876373 21.75249 
1 1 1    0   -5   25 o  204.733   19.649  540.062   99.221  540.062   99.221   0.0000   0.0000  204.733   19.649  ?   ?  0.000000 19.64874 
1 1 1    0   -5   26 o  348.079   14.115  1532.04  122.691  1596.18  152.775  1415.54  205.902  354.185   17.273  329.224   25.237 24.96069 30.58213 
1 1 1    0   -5   27 o  242.469   11.901  741.030   72.062  768.189   92.203  698.402  115.515  245.729   15.099  232.590   20.085 13.13980 25.12761 
1 1 1    0   -5   28 o  164.818   11.791  344.163   48.207  321.317   65.026  372.043   71.832  158.054   16.729  170.076   17.147 -12.02155 23.95620 
1 1 1    0   -5   29 o   93.916   12.568  113.308   28.736  121.951   46.927  108.122   36.347   95.699   20.268   90.791   16.645 4.907555 26.22643 
1 1 1    0   -5   30 o  123.038   12.196  193.017   36.979  224.201   58.718  172.519   47.606  131.092   18.447  115.080   17.084 16.01241 25.14303 
1 1 1    0   -5   31 o  197.675   12.437  496.161   61.082  475.102   82.448  521.782   90.940  191.895   17.394  200.820   18.337 -8.924652 25.27437 
1 1 1    0   -5   32 o   85.291   14.392   95.016   29.563   73.369   51.399  105.718   36.139   75.070   24.148   89.462   16.793 -14.39184 29.41294 
1 1 1    0   -5   33 o   66.750   16.321   59.510   26.977  -3.2645   52.309   82.255   31.487   50.922   22.120   78.570   16.570 -27.64815 27.63786 
1 1 1    0   -5   34 o  128.877   13.465  214.666   42.694  176.065   66.474  241.769   55.701  112.399   24.384  135.635   16.805 -23.23524 29.61421 
1 1 1    0   -5   35 o   99.193   14.103  129.193   33.951  112.976   59.400  137.062   41.375   88.982   25.450  101.177   16.977 -12.19456 30.59287 
1 1 1    0   -5   36 o  125.749   12.719  205.814   39.391  300.636   70.946  163.557   47.361  148.469   19.616  109.775   17.893 38.69395 26.55106 
1 1 1    0   -5   37 o   80.362   15.331   87.638   29.643  118.333   65.454   79.719   33.248   88.368   27.092   75.634   17.885 12.73375 32.46244 
1 1 1    0   -5   38 o   90.403   16.719  112.758   36.354   2.8021   69.453  154.252   42.665   56.369   24.952  106.114   16.649 -49.74451 29.99675 
1 1 1    0   -5   39 o   69.066   27.283   62.574   69.551   62.574   69.551   0.0000   0.0000   69.066   27.283  ?   ?  0.000000 27.28256 
1 1 1    0   -5   40 o   58.457   17.161   48.486   26.694   28.706   74.259   51.422   28.607   61.124   26.453   60.006   17.806 1.117603 31.88758 
1 1 1    0   -5   41 o   53.438   25.230 -37.2132   88.157 -37.2132   88.157   0.0000   0.0000   53.438   25.230  ?   ?  0.000000 25.22954 
1 1 1    0   -4    1 o  134.562   6.7725  226.803   22.685  224.560   32.069  229.049   32.093  133.670   9.6726  135.014   9.5809 -1.344055 13.61447 
1 1 1    0   -4    2 o  643.958   28.585  5242.10  459.673  5080.34  649.990  5403.94  650.163  628.356   41.660  648.732   40.333 -20.37604 57.98557 
1 1 1    0   -4    3 f  662.462   23.822  5530.58  394.077  5652.06  482.823  5288.15  682.056  668.234   28.934  639.869   42.934 28.36438 51.77367 
1 1 1    0   -4    4 o  411.593   15.562  2124.60  159.954  2230.25  196.089  1914.51  276.522  421.298   18.639  387.632   28.772 33.66605 34.28147 
1 1 1    0   -4    5 f  491.826   18.379  3042.31  225.731  3080.05  276.576  2967.01  390.658  493.994   22.420  480.900   32.725 13.09402 39.66874 
1 1 1    0   -4    6 o  373.286   14.785  1749.88  137.820  1731.23  168.866  1787.10  238.509  370.735   18.240  374.239   25.677 -3.503906 31.49600 
1 1 1    0   -4    7 o  433.100   29.530  2415.24  317.466  2415.24  317.466   0.0000   0.0000  433.100   29.530  ?   ?  0.000000 29.52959 
1 1 1    0   -4    8 o  698.724   31.323  6287.76  546.540  6116.04  772.727  6459.65  773.122  676.003   46.049  696.125   44.711 -20.12183 64.18397 
1 1 1    0   -4    9 o  291.219   15.386  1069.17  111.496  1038.42  157.762  1099.86  157.596  285.481   22.307  294.028   21.615 -8.546387 31.06145 
1 1 1    0   -4   10 o  132.176   11.101  220.307   36.300  195.586   51.508  244.701   51.166  123.570   17.155  138.826   14.997 -15.25544 22.78613 
1 1 1    0   -4   11 o  621.836   27.802  4898.32  431.720  4819.70  610.604  4976.92  610.485  610.843   40.255  621.113   39.566 -10.27057 56.44404 
1 1 1    0   -4   12 o  198.159   12.777  493.597   62.888  433.558   89.250  552.801   88.627  184.749   19.647  209.234   17.112 -24.48509 26.05404 
1 1 1    0   -4   13 f  343.207   16.727  1476.77  143.360  1591.12  203.504  1364.11  201.988  354.858   23.091  328.138   24.834 26.71939 33.91040 
1 1 1    0   -4   14 o  643.781   28.580  5234.46  459.457  5288.77  650.161  5180.27  649.378  642.146   40.756  635.339   41.151 6.807129 57.91781 
1 1 1    0   -4   15 o  432.079   20.284  2344.59  218.861  2365.51  309.955  2323.80  309.078  431.783   28.913  427.899   29.098 3.884460 41.02050 
1 1 1    0   -4   16 o  561.958   25.158  3979.88  353.039  4147.73  500.185  3813.24  498.364  570.102   35.308  546.047   36.762 24.05487 50.97151 
1 1 1    0   -4   17 o  353.938   25.202  1587.77  221.288  1587.77  221.288   0.0000   0.0000  353.938   25.202  ?   ?  0.000000 25.20155 
1 1 1    0   -4   18 o  430.452   16.903  2325.49  181.692  2283.31  223.195  2408.36  312.833  425.936   20.984  434.970   28.966 -9.033630 35.76839 
1 1 1    0   -4   19 o  358.654   15.070  1613.96  134.967  1545.03  166.130  1747.78  231.477  349.890   19.086  370.803   25.147 -20.91248 31.56968 
1 1 1    0   -4   20 o  196.656   11.356  486.085   55.532  458.741   69.825  533.148   91.605  190.577   14.788  204.999   18.080 -14.42281 23.35697 
1 1 1    0   -4   21 o  695.922   25.023  6164.79  434.853  6319.74  533.541  5858.20  750.501  701.391   30.462  662.572   45.638 38.81976 54.87016 
1 1 1    0   -4   22 o  173.713   12.255  380.748   52.819  480.221   85.909  320.294   66.973  194.154   17.921  158.385   17.210 35.76826 24.84665 
1 1 1    0   -4   23 o  125.605   10.312  199.231   32.060  213.829   43.229  181.388   47.794  129.648   13.553  118.704   16.576 10.94448 21.41091 
1 1 1    0   -4   24 o  206.655   11.603  538.549   59.636  511.778   75.596  582.662   97.040  200.723   15.194  213.440   18.386 -12.71680 23.85180 
1 1 1    0   -4   25 o  243.423   12.327  748.036   74.686  717.561   93.897  800.521  123.226  237.528   15.922  249.690   19.929 -12.16187 25.50851 
1 1 1    0   -4   26 o   98.328   11.470  123.283   27.635  134.433   40.590  113.650   37.730  101.683   16.555   93.254   16.821 8.429428 23.60096 
1 1 1    0   -4   27 o  135.982   10.863  234.056   36.580  250.872   50.886  216.073   52.622  140.035   14.775  129.403   16.672 10.63229 22.27684 
1 1 1    0   -4   28 f   68.054   13.294   60.466   21.781   87.647   38.528   47.698   26.406   81.210   19.285   60.369   16.866 20.84111 25.61976 
1 1 1    0   -4   29 o  249.491   13.387  788.991   83.098  703.509  105.882  926.081  134.087  234.027   18.262  267.898   20.192 -33.87163 27.22535 
1 1 1    0   -4   30 o  216.452   11.694  592.494   62.972  636.862   83.573  534.218   95.781  223.521   15.060  203.338   19.086 20.18332 24.31268 
1 1 1    0   -4   31 o  192.022   15.272  471.552   72.627  456.296  132.703  478.076   86.776  182.905   30.101  192.382   18.283 -9.477676 35.21859 
1 1 1    0   -4   32 o  190.297   12.455  460.053   58.863  448.957   80.899  472.535   85.807  186.402   17.588  191.046   18.206 -4.644455 25.31382 
1 1 1    0   -4   33 o  196.276   12.783  490.726   62.314  475.120   86.463  507.592   89.887  191.137   18.340  197.572   18.432 -6.436005 26.00159 
1 1 1    0   -4   34 o  187.245   13.078  448.652   60.764  415.471   85.359  482.743   86.521  177.506   19.583  192.116   18.254 -14.61044 26.77111 
1 1 1    0   -4   35 o   85.467   27.695  101.199   67.514  101.199   67.514   0.0000   0.0000   85.467   27.695  ?   ?  0.000000 27.69457 
1 1 1    0   -4   36 o  150.066   12.610  290.885   46.817  348.160   75.283  254.768   59.783  161.001   19.097  138.137   17.741 22.86324 26.06599 
1 1 1    0   -4   37 o  122.121   13.454  195.429   40.347  209.017   69.510  188.524   49.549  120.715   23.904  118.160   17.305 2.554909 29.51099 
1 1 1    0   -4   38 o   66.845   17.865   62.364   30.391   0.0000   0.0000   62.364   30.391  ?   ?    66.845   17.865 0.000000 17.86465 
1 1 1    0   -4   39 o  206.551   16.040  574.394   82.084  774.917  169.909  513.345   93.751  218.715   32.061  191.564   19.888 27.15152 37.72828 
1 1 1    0   -4   40 o  106.436   14.800  153.612   38.273  199.972   78.482  139.148   43.839  111.173   28.220   99.179   18.377 11.99438 33.67666 
1 1 1    0   -4   41 o  143.613   14.247  278.897   50.419  330.900   91.416  256.162   60.443  144.526   26.298  134.185   18.533 10.34151 32.17239 
1 1 1    0   -4   42 o   60.751   27.976   5.5111   98.031   5.5111   98.031   0.0000   0.0000   60.751   27.976  ?   ?  0.000000 27.97598 
1 1 1    0   -3    1 o  309.777   11.033  1200.13   85.351  1166.08  120.666  1234.23  120.743  304.671   15.915  313.905   15.403 -9.233948 22.14846 
1 1 1    0   -3    2 o  785.906   27.755  7794.51  544.702  7618.06  666.968  8147.90  943.883  774.735   34.475  793.985   47.829 -19.25031 58.95830 
1 1 1    0   -3    3 o  375.282   14.632  1764.03  137.121  1826.70  168.050  1639.19  237.187  381.618   17.634  359.504   26.609 22.11469 31.92208 
1 1 1    0   -3    4 o  646.891   41.554  5389.44  667.719   0.0000   0.0000  5389.44  667.719  ?   ?   646.891   41.554 0.000000 41.55425 
1 1 1    0   -3    5 o  593.025   26.564  4446.80  393.391  4336.06  556.208  4557.65  556.470  580.393   38.596  595.542   37.611 -15.14856 53.89141 
1 1 1    0   -3    6 o  642.576   28.630  5246.11  459.413  5056.59  649.468  5435.91  649.948  623.471   41.959  647.459   40.401 -23.98798 58.24752 
1 1 1    0   -3    7 o   88.662   10.336   99.755   22.455   90.173   31.836  109.242   31.677   83.342   15.876   92.234   14.209 -8.891685 21.30644 
1 1 1    0   -3    8 o  326.647   16.555  1346.86  134.599  1268.94  190.311  1424.84  190.392  315.025   24.382  334.355   22.942 -19.33054 33.47815 
1 1 1    0   -3    9 o  460.139   31.118  2735.64  355.465  2735.64  355.465   0.0000   0.0000  460.139   31.118  ?   ?  0.000000 31.11844 
1 1 1    0   -3   10 o  136.234   11.145  234.082   37.585  217.874   53.361  250.040   52.948  130.539   16.756  140.225   15.373 -9.686142 22.73968 
1 1 1    0   -3   11 o  196.147   12.535  484.014   61.076  452.923   86.531  514.883   86.219  188.838   18.591  201.668   17.288 -12.83069 25.38660 
1 1 1    0   -3   12 o  576.401   25.947  4198.17  373.469  4167.04  528.315  4229.28  528.014  569.516   37.355  573.904   37.041 -4.387146 52.60625 
1 1 1    0   -3   13 o  327.485   16.602  1348.18  135.323  1342.32  191.661  1354.01  191.092  325.625   23.734  327.083   23.553 -1.457275 33.43720 
1 1 1    0   -3   14 o  481.426   31.834  2947.76  380.557   0.0000   0.0000  2947.76  380.557  ?   ?   481.426   31.834 0.000000 31.83449 
1 1 1    0   -3   15 o  394.346   27.088  1970.33  265.132   0.0000   0.0000  1970.33  265.132  ?   ?   394.346   27.088 0.000000 27.08789 
1 1 1    0   -3   16 o  647.237   41.530  5377.73  667.695  5377.73  667.695   0.0000   0.0000  647.237   41.530  ?   ?  0.000000 41.53001 
1 1 1    0   -3   17 o  275.767   14.480  955.084   99.365  1065.45  141.483  847.662  139.583  290.638   19.609  258.744   21.806 31.89365 29.32584 
1 1 1    0   -3   18 o  434.923   19.838  2377.00  215.459  2634.49  305.851  2123.34  303.572  455.869   26.987  408.344   29.980 47.52530 40.33743 
1 1 1    0   -3   19 o  466.264   31.281  2776.09  362.105  2776.09  362.105   0.0000   0.0000  466.264   31.281  ?   ?  0.000000 31.28064 
1 1 1    0   -3   20 o  229.628   13.682  663.462   78.098  658.439  111.893  668.233  109.056  227.788   19.870  229.610   19.196 -1.822083 27.62772 
1 1 1    0   -3   21 o  265.353   12.608  882.945   83.545  846.886  103.784  949.327  140.817  259.037   16.124  273.383   20.782 -14.34674 26.30398 
1 1 1    0   -3   22 o  109.447   10.618  151.510   28.655  148.728   38.736  154.872   42.586  107.774   14.782  109.794   16.003 -2.019104 21.78550 
1 1 1    0   -3   23 o  464.429   21.603  2742.41  250.547  2839.03  358.174  2649.83  350.602  467.289   30.868  451.129   31.316 16.16046 43.97179 
1 1 1    0   -3   24 o  187.581   11.947  443.978   55.670  376.954   70.718  553.193   90.274  171.879   16.687  208.318   17.516 -36.43925 24.19190 
1 1 1    0   -3   25 o  411.988   16.060  2147.75  165.227  2189.19  204.060  2068.85  281.551  414.555   19.712  397.819   28.531 16.73621 34.67803 
1 1 1    0   -3   26 o  189.936   11.144  455.128   52.624  454.932   68.054  455.418   82.992  189.221   14.513  188.497   17.844 0.7240295 23.00045 
1 1 1    0   -3   27 f  347.661   14.158  1527.34  122.913  1573.64  153.040  1443.22  206.304  351.815   17.420  332.951   24.995 18.86404 30.46653 
1 1 1    0   -3   28 o   67.728   21.747   57.866   41.700   57.866   41.700   0.0000   0.0000   67.728   21.747  ?   ?  0.000000 21.74662 
1 1 1    0   -3   29 o  233.518   12.523  689.784   72.758  660.512   93.602  734.473  115.653  227.381   16.599  238.817   19.564 -11.43571 25.65743 
1 1 1    0   -3   30 o  146.587   11.271  272.193   40.943  300.753   58.390  244.569   57.425  153.203   15.474  137.593   17.080 15.61028 23.04770 
1 1 1    0   -3   31 o  192.150   12.448  468.102   59.409  436.233   79.614  508.144   89.242  184.085   17.531  198.575   18.199 -14.49063 25.26926 
1 1 1    0   -3   32 o  147.222   14.964  278.062   54.247  274.548  116.847  279.027   61.248  139.577   33.868  146.915   17.009 -7.338593 37.89941 
1 1 1    0   -3   33 o   85.801   13.823   95.698   28.611  122.960   52.477   84.167   34.129   95.348   22.417   79.536   17.645 15.81172 28.52841 
1 1 1    0   -3   34 o  139.071   12.877  247.583   44.212  239.099   68.417  253.665   57.933  133.930   21.160  139.550   16.974 -5.620865 27.12644 
1 1 1    0   -3   35 f  134.897   12.630  233.621   42.049  271.627   68.794  210.953   53.129  142.886   19.813  126.623   17.251 16.26320 26.27127 
1 1 1    0   -3   36 o   94.521   28.248  128.316   71.808  128.316   71.808   0.0000   0.0000   94.521   28.248  ?   ?  0.000000 28.24787 
1 1 1    0   -3   37 o  146.005   13.328  276.965   48.058  271.199   75.911  280.823   62.083  139.676   22.530  145.048   17.493 -5.371597 28.52416 
1 1 1    0   -3   38 o  103.657   15.096  143.399   37.929  110.878   70.104  156.859   45.101   86.277   28.236  107.423   17.408 -21.14566 33.17070 
1 1 1    0   -3   39 o  114.899   14.648  176.236   41.074  149.162   74.465  188.075   49.242   97.505   28.673  117.307   17.332 -19.80196 33.50449 
1 1 1    0   -3   40 o  150.352   16.411  306.969   60.617  309.653  152.952  306.469   66.023  122.937   41.740  148.956   18.123 -26.01863 45.50504 
1 1 1    0   -3   41 o  142.333   14.282  272.071   50.079  305.164   90.074  257.266   60.249  139.587   26.815  135.459   18.278 4.128220 32.45194 
1 1 1    0   -3   42 o  108.602   15.815  163.616   41.632  166.365   88.469  162.834   47.182   95.236   31.746  106.547   18.398 -11.31137 36.69192 
1 1 1    0   -3   43 o   73.394   18.243   79.826   33.290   79.706  110.767   79.838   34.904   72.541   31.834   72.969   18.977 -0.4287033 37.06109 
1 1 1    0   -2    1 o  265.602   10.006  881.942   66.366  861.607   93.840  902.291   93.872  261.949   14.401  268.114   14.070 -6.165375 20.13319 
1 1 1    0   -2    2 o  706.167   25.089  6278.07  442.420  6389.48  541.997  6055.61  765.884  711.000   30.526  685.978   44.958 25.02246 54.34263 
1 1 1    0   -2    3 o  267.004   14.450  895.273   95.986  922.026  135.792  868.558  135.696  270.238   20.270  262.146   20.903 8.091827 29.11681 
1 1 1    0   -2    4 o  349.081   17.127  1528.03  149.300  1444.70  211.041  1611.52  211.242  337.677   25.209  357.003   23.832 -19.32675 34.69101 
1 1 1    0   -2    5 o  301.543   22.313  1150.48  166.827   0.0000   0.0000  1150.48  166.827  ?   ?   301.543   22.313 0.000000 22.31316 
1 1 1    0   -2    6 o  488.648   22.442  3008.64  273.844  2955.59  387.245  3061.71  387.303  480.926   32.434  489.718   31.843 -8.792175 45.45297 
1 1 1    0   -2    7 o  138.682   11.034  242.292   37.897  229.047   53.648  255.485   53.542  134.070   16.364  141.860   15.359 -7.790054 22.44275 
1 1 1    0   -2    8 o  195.842   12.432  482.821   60.483  433.531   85.562  532.052   85.510  184.514   18.833  204.956   16.857 -20.44189 25.27543 
1 1 1    0   -2    9 o  452.929   21.192  2597.31  239.692  2529.54  338.974  2665.07  338.977  442.594   30.863  454.746   30.019 -12.15265 43.05437 
1 1 1    0   -2   10 o  160.260   16.602  326.761   65.476  326.761   65.476   0.0000   0.0000  160.260   16.602  ?   ?  0.000000 16.60155 
1 1 1    0   -2   11 o  514.738   23.583  3356.71  303.141  3256.99  428.696  3456.45  428.716  501.894   34.413  517.634   33.344 -15.73935 47.91685 
1 1 1    0   -2   12 o  142.135   11.409  254.541   40.153  217.027   57.032  291.411   56.541  130.193   18.026  151.671   15.130 -21.47804 23.53397 
1 1 1    0   -2   13 o  319.089   16.377  1280.26  130.054  1212.21  184.106  1348.04  183.742  309.201   24.033  326.422   22.682 -17.22079 33.04617 
1 1 1    0   -2   14 o  803.187   35.200  8201.62  705.998  7924.29  998.268  8479.13  998.596  780.052   51.538  808.140   49.724 -28.08868 71.61447 
1 1 1    0   -2   15 o  750.173   47.756  7274.71  889.976   0.0000   0.0000  7274.71  889.976  ?   ?   750.173   47.756 0.000000 47.75643 
1 1 1    0   -2   16 o  311.480   16.033  1218.83  124.288  1237.04  176.291  1200.82  175.254  312.852   22.720  308.179   22.937 4.672577 32.28491 
1 1 1    0   -2   17 f  344.893   17.183  1491.39  147.994  1475.78  209.805  1506.85  208.788  341.448   24.775  345.115   24.384 -3.666168 34.76117 
1 1 1    0   -2   18 o  282.488   14.744  1002.34  103.647  1091.52  147.606  915.593  145.573  294.080   20.222  268.957   21.864 25.12262 29.78201 
1 1 1    0   -2   19 o  202.896   12.961  517.541   65.328  506.620   93.740  527.853   91.093  199.939   19.003  204.267   18.044 -4.327911 26.20498 
1 1 1    0   -2   20 o  115.797   17.412  172.113   48.791  172.113   48.791   0.0000   0.0000  115.797   17.412  ?   ?  0.000000 17.41176 
1 1 1    0   -2   21 o  539.648   24.540  3688.18  330.705  3744.55  468.649  3632.27  466.733  538.799   35.021  530.424   35.441 8.375000 49.82509 
1 1 1    0   -2   22 o  290.733   15.798  1065.99  114.267  1007.03  162.870  1123.14  160.356  280.865   23.436  297.149   21.762 -16.28336 31.98124 
1 1 1    0   -2   23 o  139.725   11.939  246.725   41.258  238.919   61.136  253.253   55.909  136.341   18.429  140.883   16.186 -4.541870 24.52757 
1 1 1    0   -2   24 o  378.782   15.796  1809.84  149.412  1706.17  184.140  2009.63  255.629  366.057   20.223  394.908   26.068 -28.85144 32.99263 
1 1 1    0   -2   25 o  289.828   15.107  1063.02  108.962  1187.23  161.089  958.259  147.940  304.377   21.328  273.118   21.875 31.25940 30.55163 
1 1 1    0   -2   26 o  413.925   16.449  2169.97  170.025  2156.01  209.890  2196.60  289.975  411.008   20.450  409.827   28.512 1.180695 35.08725 
1 1 1    0   -2   27 o  104.624   11.118  139.154   28.603  141.612   40.852  136.790   40.062  104.553   16.169  102.723   16.151 1.829872 22.85315 
1 1 1    0   -2   28 o  347.209   13.879  1522.66  120.337  1600.00  150.216  1384.12  201.049  354.921   16.949  326.095   24.877 28.82660 30.10175 
1 1 1    0   -2   29 o  142.803   19.735  265.369   68.495  265.369   68.495   0.0000   0.0000  142.803   19.735  ?   ?  0.000000 19.73484 
1 1 1    0   -2   30 o  215.678   12.087  588.136   64.839  580.111   84.418  599.681  101.252  213.210   15.971  215.856   18.977 -2.645401 24.80343 
1 1 1    0   -2   31 o  125.007   12.121  198.875   37.361  190.281   55.514  205.989   50.512  120.589   19.069  126.283   16.405 -5.693855 25.15478 
1 1 1    0   -2   32 o  226.941   13.417  653.722   75.698  582.599   98.966  754.000  117.513  212.490   18.846  241.612   19.647 -29.12177 27.22471 
1 1 1    0   -2   33 o  207.395   15.376  550.042   79.064  567.637  142.467  542.212   95.043  205.032   28.605  204.722   18.801 0.3102722 34.23021 
1 1 1    0   -2   34 o  172.051   12.864  377.173   54.868  329.728   77.496  424.862   77.695  158.518   20.024  181.221   17.382 -22.70232 26.51563 
1 1 1    0   -2   35 o  106.676   14.317  147.653   37.176   93.292   62.157  177.929   46.387   83.365   26.527  116.651   16.375 -33.28628 31.17454 
1 1 1    0   -2   36 o  160.594   13.269  331.599   52.738  302.894   79.248  354.417   70.655  149.839   21.820  164.374   17.481 -14.53427 27.95910 
1 1 1    0   -2   37 o   69.139   27.003   49.883   67.460   49.883   67.460   0.0000   0.0000   69.139   27.003  ?   ?  0.000000 27.00288 
1 1 1    0   -2   38 o  141.799   23.060  281.994   78.848  281.994   78.848   0.0000   0.0000  141.799   23.060  ?   ?  0.000000 23.05953 
1 1 1    0   -2   39 o  149.263   13.285  291.544   49.001  331.252   81.148  268.755   61.474  153.652   21.757  140.706   17.901 12.94551 28.17470 
1 1 1    0   -2   40 o   48.901   16.346   30.915   23.454  -9.7993   67.884   36.434   24.993   53.806   24.185   52.299   16.840 1.506126 29.47031 
1 1 1    0   -2   41 o   63.954   17.826   57.710   29.536   3.4738  140.307   60.225   30.213   72.361   33.375   65.257   17.970 7.104294 37.90545 
1 1 1    0   -2   42 o   86.889   16.796  105.920   35.125   97.614   84.739  107.643   38.597   78.569   30.381   86.710   18.395 -8.140579 35.51612 
1 1 1    0   -2   43 o   61.866   17.496   55.333   28.238   80.042   86.999   52.423   29.854   72.737   29.873   60.167   18.266 12.57030 35.01541 
1 1 1    0   -1    1 o  755.373   47.901  7355.97  898.875  7355.97  898.875   0.0000   0.0000  755.373   47.901  ?   ?  0.000000 47.90050 
1 1 1    0   -1    2 o  530.818   24.007  3543.98  318.223  3485.85  449.954  3602.15  450.117  523.298   34.628  532.160   34.050 -8.862061 48.56442 
1 1 1    0   -1    3 f  105.675   10.319  140.955   26.882  138.266   38.021  143.642   38.014  104.006   15.079  106.099   14.746 -2.093063 21.09090 
1 1 1    0   -1    4 o  445.877   20.754  2496.98  231.077  2493.84  326.806  2500.13  326.780  443.275   29.695  443.846   29.654 -0.5713196 41.96590 
1 1 1    0   -1    5 o  299.212   15.532  1124.82  115.656  1078.57  163.527  1171.10  163.597  291.951   22.606  304.448   21.660 -12.49677 31.30791 
1 1 1    0   -1    6 o  481.850   31.886  2959.68  381.507   0.0000   0.0000  2959.68  381.507  ?   ?   481.850   31.886 0.000000 31.88613 
1 1 1    0   -1    7 o  790.147   34.751  7975.25  685.693  8238.61  970.198  7712.43  969.234  792.818   49.248  765.703   50.981 27.11475 70.88313 
1 1 1    0   -1    8 o  612.314   27.475  4765.02  420.111  4655.53  594.040  4874.57  594.214  598.212   39.996  612.757   39.037 -14.54480 55.88882 
1 1 1    0   -1    9 o  398.850   19.078  2007.21  190.019  1894.80  268.665  2119.73  268.791  384.198   28.200  407.071   26.588 -22.87338 38.75782 
1 1 1    0   -1   10 o  259.441   14.321  848.344   92.423  849.667  130.844  847.027  130.570  258.403   20.444  258.001   20.433 0.4013367 28.90457 
1 1 1    0   -1   11 o  386.335   26.922  1911.52  258.109  1911.52  258.109   0.0000   0.0000  386.335   26.922  ?   ?  0.000000 26.92226 
1 1 1    0   -1   12 o  696.935   30.955  6202.42  538.735  5908.49  761.579  6496.84  762.195  670.122   45.784  704.518   43.537 -34.39667 63.17968 
1 1 1    0   -1   13 o  600.421   26.930  4561.53  403.780  4468.67  571.107  4654.35  570.957  588.819   39.062  601.373   38.218 -12.55328 54.64875 
1 1 1    0   -1   14 o  463.242   30.852  2730.35  354.860   0.0000   0.0000  2730.35  354.860  ?   ?   463.242   30.852 0.000000 30.85242 
1 1 1    0   -1   15 o  835.643   53.235  9099.30  1105.09  9099.30  1105.09   0.0000   0.0000  835.643   53.235  ?   ?  0.000000 53.23456 
1 1 1    0   -1   16 o  353.743   24.970  1583.23  219.155   0.0000   0.0000  1583.23  219.155  ?   ?   353.743   24.970 0.000000 24.96955 
1 1 1    0   -1   17 o  459.902   21.021  2656.76  241.415  2833.48  342.356  2481.97  340.478  472.788   29.140  441.917   31.050 30.87067 42.58197 
1 1 1    0   -1   18 o  332.210   16.935  1387.17  140.027  1330.21  198.603  1443.48  197.458  324.073   24.728  337.880   23.550 -13.80725 34.14736 
1 1 1    0   -1   19 o  570.910   25.731  4111.42  366.843  4095.79  519.408  4126.98  518.182  565.646   36.975  567.895   36.736 -2.249268 52.12220 
1 1 1    0   -1   20 o  255.322   14.398  819.509   91.423  812.945  130.481  825.839  128.133  253.361   20.807  255.471   20.251 -2.109375 29.03498 
1 1 1    0   -1   21 o  404.423   27.989  2085.33  280.932  2085.33  280.932   0.0000   0.0000  404.423   27.989  ?   ?  0.000000 27.98939 
1 1 1    0   -1   22 o  352.323   17.900  1566.42  156.968  1467.45  222.995  1663.61  220.991  338.819   26.569  361.448   24.631 -22.62906 36.22939 
1 1 1    0   -1   23 o  399.928   19.123  2019.35  190.984  2078.93  271.656  1961.12  268.555  402.672   27.175  390.849   27.695 11.82321 38.80015 
1 1 1    0   -1   24 o  293.538   16.246  1089.52  118.625  937.226  168.903  1237.76  166.641  269.690   25.378  311.492   21.556 -41.80267 33.29716 
1 1 1    0   -1   25 o  313.419   16.644  1244.61  129.799  1192.85  185.329  1294.45  181.846  304.202   24.607  317.550   23.090 -13.34799 33.74426 
1 1 1    0   -1   26 o  321.561   17.861  1315.22  142.856  1192.29  207.688  1425.60  196.809  302.161   27.838  332.478   23.863 -30.31686 36.66600 
1 1 1    0   -1   27 o  337.942   14.645  1442.41  123.590  1395.20  153.282  1530.14  208.934  330.704   18.637  343.776   24.498 -13.07175 30.78142 
1 1 1    0   -1   28 o  141.673   11.313  254.018   39.689  238.455   53.837  272.544   58.740  136.276   16.133  145.743   16.426 -9.467102 23.02404 
1 1 1    0   -1   29 o  114.900   12.934  168.535   36.467   93.369   50.906  247.768   52.265   83.851   23.414  139.089   15.300 -55.23751 27.96997 
1 1 1    0   -1   30 o  197.708   20.415  505.615   99.341  505.615   99.341   0.0000   0.0000  197.708   20.415  ?   ?  0.000000 20.41499 
1 1 1    0   -1   31 f  140.425   12.130  250.371   42.117  227.501   60.070  272.483   59.068  132.266   18.709  145.546   16.546 -13.27922 24.97573 
1 1 1    0   -1   32 o  203.558   11.552  523.770   58.479  585.522   79.964  452.770   85.743  214.381   15.032  187.353   18.572 27.02765 23.89258 
1 1 1    0   -1   33 o  267.187   13.574  905.775   90.273  891.050  116.925  927.505  142.038  263.469   17.877  267.245   21.465 -3.776215 27.93442 
1 1 1    0   -1   34 o  231.653   13.266  681.895   76.424  656.232  101.714  715.165  115.813  225.509   18.218  234.738   19.946 -9.228516 27.01343 
1 1 1    0   -1   35 o   95.155   14.020  117.498   32.316  137.548   62.955  110.324   37.655  100.071   25.206   91.344   17.138 8.727570 30.47992 
1 1 1    0   -1   36 o  182.355   12.745  424.978   57.674  441.871   83.884  409.833   79.424  183.665   18.543  176.958   18.235 6.707230 26.00692 
1 1 1    0   -1   37 o  128.324   17.096  217.343   53.420   0.0000   0.0000  217.343   53.420  ?   ?   128.324   17.096 0.000000 17.09576 
1 1 1    0   -1   38 o  103.719   14.592  141.635   36.750  134.075   69.389  144.583   43.326   95.931   27.528  103.770   17.331 -7.839622 32.52908 
1 1 1    0   -1   39 o   89.962   15.180  108.339   32.888  172.187   69.478   89.902   37.336  108.218   26.028   80.463   18.902 27.75579 32.16769 
1 1 1    0   -1   40 o  146.863   13.832  283.824   50.129  288.516   83.989  281.227   62.478  140.684   24.814  143.874   17.767 -3.190567 30.51900 
1 1 1    0   -1   41 o   94.604   14.834  120.686   33.892  209.604   77.388   99.584   37.700  116.768   27.068   84.141   18.451 32.62709 32.75792 
1 1 1    0   -1   42 o   62.595   17.434   55.230   28.262  259.821  149.851   47.684   28.778  111.416   40.980   58.469   17.970 52.94690 44.74680 
1 1 1    0   -1   43 o   59.726   17.572   50.762   27.961   24.818   86.040   53.826   29.566   63.146   27.871   61.316   18.078 1.830151 33.22079 
1 1 1    0   -1   44 o   71.520   17.541   74.441   31.090  154.978   93.927   64.531   32.948   89.651   32.524   65.984   18.979 23.66753 37.65670 
1 1 1    0    0    2 o  832.781   35.221  8794.34  732.464  7674.58  1034.13  9921.63  1037.60  768.212   54.256  877.874   47.508 -109.6617 72.11571 
1 1 1    0    0    3 o  640.147   27.365  5165.67  437.450  4442.56  617.527  5894.06  619.776  588.370   42.312  680.310   36.617 -91.94025 55.95620 
1 1 1    0    0    4 f  362.840   17.675  1650.64  160.147  1655.53  226.505  1645.76  226.459  361.744   25.232  360.658   25.305 1.086395 35.73508 
1 1 1    0    0    5 o  454.284   21.079  2592.91  239.130  2575.71  338.185  2610.11  338.175  450.319   30.249  453.382   30.040 -3.062744 42.63078 
1 1 1    0    0    6 f  272.549   14.667  933.214   99.458  901.198  140.645  965.240  140.666  266.904   21.278  276.404   20.526 -9.499207 29.56507 
1 1 1    0    0    7 o  388.505   18.639  1895.92  180.825  1909.47  255.804  1882.38  255.646  387.821   26.574  385.004   26.756 2.816315 37.71040 
1 1 1    0    0    8 f  709.904   45.881  6589.60  809.015   0.0000   0.0000  6589.60  809.015  ?   ?   709.904   45.881 0.000000 45.88132 
1 1 1    0    0    9 o  938.928   41.761 11504.81  979.167 11130.75  1384.25 11879.41  1385.25  898.884   62.048  931.721   59.854 -32.83722 86.21205 
1 1 1    0    0   10 o  348.495   17.263  1530.08  150.234  1438.73  212.449  1621.45  212.476  335.234   25.571  356.503   24.007 -21.26923 35.07401 
1 1 1    0    0   11 o  508.765   23.401  3286.01  297.301  3210.25  420.475  3361.74  420.418  497.267   34.066  509.378   33.234 -12.11023 47.59184 
1 1 1    0    0   12 o  577.777   26.137  4243.63  377.104  4139.37  533.310  4347.89  533.300  563.892   38.097  578.576   37.107 -14.68408 53.18176 
1 1 1    0    0   13 o  408.381   27.999  2125.86  283.811  2125.86  283.811   0.0000   0.0000  408.381   27.999  ?   ?  0.000000 27.99904 
1 1 1    0    0   14 o  538.913   24.222  3661.57  325.970  3317.07  460.630  4007.16  461.355  508.606   36.511  560.506   33.108 -51.90048 49.28667 
1 1 1    0    0   15 o  306.593   15.976  1181.19  121.895  1127.23  172.674  1234.80  172.098  298.392   23.360  312.587   22.191 -14.19528 32.22028 
1 1 1    0    0   16 o  336.645   16.787  1420.44  141.127  1444.81  200.000  1396.28  199.169  338.045   23.845  332.234   24.172 5.811310 33.95402 
1 1 1    0    0   17 o  187.941   12.594  443.931   58.767  398.216   83.655  488.471   82.573  177.125   19.221  196.691   16.978 -19.56619 25.64583 
1 1 1    0    0   18 o  635.456   40.746  5175.75  643.171   0.0000   0.0000  5175.75  643.171  ?   ?   635.456   40.746 0.000000 40.74598 
1 1 1    0    0   19 o  776.983   34.131  7665.69  662.230  7339.19  936.522  7992.22  936.547  751.521   50.192  785.686   47.964 -34.16528 69.42438 
1 1 1    0    0   20 o  670.972   29.818  5702.23  499.605  5644.46  707.146  5759.81  705.953  661.216   43.062  668.233   42.527 -7.017822 60.52126 
1 1 1    0    0   21 o  356.363   17.933  1599.27  159.079  1509.08  225.793  1688.16  224.158  344.401   26.456  364.778   24.754 -20.37683 36.23137 
1 1 1    0    0   22 o  253.194   20.756  813.521  130.081  813.521  130.081   0.0000   0.0000  253.194   20.756  ?   ?  0.000000 20.75611 
1 1 1    0    0   23 o  351.231   17.796  1557.54  155.578  1491.99  221.115  1621.80  218.941  341.559   26.122  356.613   24.738 -15.05405 35.97715 
1 1 1    0    0   24 f  527.714   24.300  3544.82  320.230  3533.48  454.059  3556.04  451.697  520.438   35.143  522.300   34.832 -1.861877 49.48032 
1 1 1    0    0   25 f  451.971   21.664  2597.75  244.508  2434.71  346.900  2758.72  344.684  431.672   32.418  461.013   30.106 -29.34042 44.24096 
1 1 1    0    0   26 o  287.642   15.782  1047.83  112.926  1011.52  161.787  1082.33  157.694  280.272   23.328  290.488   21.900 -10.21646 31.99685 
1 1 1    0    0   27 o  336.342   24.617  1462.97  205.322   0.0000   0.0000  1462.97  205.322  ?   ?   336.342   24.617 0.000000 24.61677 
1 1 1    0    0   28 o  380.705   15.649  1833.82  148.773  1816.12  184.224  1867.00  252.252  376.962   19.638  378.475   26.864 -1.513123 33.27702 
1 1 1    0    0   29 f  289.116   14.240  1055.86  102.808  937.579  128.425  1266.90  171.549  270.557   19.132  313.468   22.056 -42.91095 29.19710 
1 1 1    0    0   30 o  254.796   12.318  817.988   78.375  843.808  100.536  777.987  125.138  257.603   15.704  245.714   20.584 11.88988 25.89019 
1 1 1    0    0   31 o  121.443   11.841  187.472   35.452  191.096   52.363  184.405   48.173  121.306   17.817  119.422   16.603 1.883881 24.35328 
1 1 1    0    0   32 o  459.912   22.351  2727.55  256.700  2727.55  256.700   0.0000   0.0000  459.912   22.351  ?   ?  0.000000 22.35117 
1 1 1    0    0   33 f  248.691   12.895  783.203   79.807  793.737  104.541  768.489  123.557  249.118   16.905  243.756   20.488 5.361389 26.56209 
1 1 1    0    0   34 o   57.520   15.683   43.447   23.145   14.166   49.988   51.437   26.113   54.817   22.594   62.427   16.501 -7.610325 27.97812 
1 1 1    0    0   35 o  133.929   12.382  228.777   40.943  257.711   65.505  210.228   52.450  140.275   19.205  127.158   16.939 13.11741 25.60761 
1 1 1    0    0   36 o  135.910   14.683  238.285   49.041  375.187  127.934  214.702   53.097  162.471   32.665  128.224   17.002 34.24706 36.82487 
1 1 1    0    0   37 o  253.482   13.853  823.768   87.359  817.233  117.598  831.815  130.495  249.633   19.007  250.520   21.055 -0.8872681 28.36499 
1 1 1    0    0   38 o  154.395   13.183  307.539   50.339  308.563   79.095  306.842   65.263  150.728   21.634  152.413   17.462 -1.685638 27.80211 
1 1 1    0    0   39 o   65.402   16.306   58.129   26.539   44.233   64.791   60.930   29.092   66.362   26.295   66.796   17.302 -0.4339676 31.47679 
1 1 1    0    0   40 o  105.139   31.457  173.959   89.012  173.959   89.012   0.0000   0.0000  105.139   31.457  ?   ?  0.000000 31.45669 
1 1 1    0    0   41 o   75.356   17.175   78.733   31.601  -1.8979   73.071   97.282   35.048   57.286   25.465   83.902   17.302 -26.61565 30.78674 
1 1 1    0    0   42 o   56.081   17.012   43.167   25.902   12.256   78.641   46.929   27.433   60.916   26.776   58.253   17.471 2.663876 31.97175 
1 1 1    0    0   43 o   76.417   17.126   82.335   31.872   63.694   84.628   85.416   34.405   71.375   29.406   77.398   18.121 -6.023575 34.54088 
1 1 1    0    0   44 o  159.732   15.475  349.213   60.952  340.824  113.345  352.626   72.295  137.402   33.367  157.398   18.763 -19.99521 38.28038 
1 1 1    0    1    3 o   50.483   9.9276   32.974   12.069   31.801   17.071   34.146   17.067   49.602   13.445   51.280   13.237 -1.678055 18.86768 
1 1 1    0    1    4 f  635.799   40.685  5176.35  642.576  5176.35  642.576   0.0000   0.0000  635.799   40.685  ?   ?  0.000000 40.68530 
1 1 1    0    1    5 o  322.890   16.341  1309.83  131.331  1271.54  185.688  1348.16  185.773  317.053   23.623  326.636   22.921 -9.582794 32.91488 
1 1 1    0    1    6 o  244.236   13.749  749.225   83.514  710.124  118.079  788.362  118.134  236.933   20.148  249.890   19.075 -12.95694 27.74551 
1 1 1    0    1    7 o  469.177   21.649  2769.62  253.648  2679.20  358.618  2860.14  358.808  458.474   31.515  474.080   30.470 -15.60568 43.83563 
1 1 1    0    1    8 o  357.288   17.526  1603.21  156.374  1570.20  221.167  1636.21  221.125  351.596   25.360  359.075   24.813 -7.478668 35.47961 
1 1 1    0    1    9 o  214.922   18.474  585.558   98.186   0.0000   0.0000  585.558   98.186  ?   ?   214.922   18.474 0.000000 18.47387 
1 1 1    0    1   10 o  709.966   31.704  6475.18  562.080  6277.39  794.706  6673.17  795.098  686.658   46.623  709.443   45.114 -22.78479 64.87657 
1 1 1    0    1   11 o  286.446   15.236  1034.68  108.596  956.558  153.613  1112.73  153.543  273.729   22.677  295.827   20.919 -22.09863 30.85242 
1 1 1    0    1   12 o  245.123   13.852  756.700   84.444  771.133  119.658  742.380  119.187  246.412   19.608  241.679   19.926 4.733597 27.95607 
1 1 1    0    1   13 o  396.925   27.369  2010.16  269.626   0.0000   0.0000  2010.16  269.626  ?   ?   396.925   27.369 0.000000 27.36940 
1 1 1    0    1   14 o  443.881   29.883  2510.34  329.314  2510.34  329.314   0.0000   0.0000  443.881   29.883  ?   ?  0.000000 29.88324 
1 1 1    0    1   15 o  403.588   19.248  2045.16  193.989  1880.12  274.368  2210.13  274.316  384.605   28.776  417.711   26.434 -33.10593 39.07463 
1 1 1    0    1   16 o  426.337   20.095  2282.11  213.940  2264.84  302.892  2299.30  302.222  422.527   28.880  425.810   28.588 -3.282227 40.63644 
1 1 1    0    1   17 o  282.234   15.089  1000.40  105.962  1003.93  150.336  996.912  149.375  281.889   21.519  280.906   21.457 0.9831238 30.38867 
1 1 1    0    1   18 o  463.780   21.536  2702.18  249.423  2668.36  353.185  2735.82  352.292  458.351   31.040  464.255   30.558 -5.903473 43.55790 
1 1 1    0    1   19 o  348.633   24.723  1537.98  213.846   0.0000   0.0000  1537.98  213.846  ?   ?   348.633   24.723 0.000000 24.72335 
1 1 1    0    1   20 o  568.454   25.707  4075.10  364.926  3891.84  516.463  4257.82  515.705  551.170   37.751  577.283   35.952 -26.11212 52.13123 
1 1 1    0    1   21 o  383.414   18.572  1846.47  177.816  1851.10  252.480  1841.91  250.473  381.804   26.648  380.887   26.499 0.9173279 37.58083 
1 1 1    0    1   22 o  1126.04   50.099 16651.29  1408.75 16073.57  1992.08 17229.24  1992.47  1072.59   74.843  1115.08   71.938 -42.48242 103.8101 
1 1 1    0    1   23 o  587.544   26.631  4385.95  390.738  4317.62  553.419  4453.87  551.758  576.313   38.679  585.818   37.920 -9.505920 54.16617 
1 1 1    0    1   24 o  256.483   21.094  837.622  133.904  837.622  133.904   0.0000   0.0000  256.483   21.094  ?   ?  0.000000 21.09355 
1 1 1    0    1   25 o  369.734   18.072  1726.84  166.860  1774.80  237.735  1680.27  234.255  371.797   25.765  361.578   26.120 10.21912 36.68855 
1 1 1    0    1   26 o  653.274   29.853  5528.51  487.003  5417.34  689.950  5638.90  687.509  632.298   43.970  646.429   42.833 -14.13123 61.38392 
1 1 1    0    1   27 o  371.306   17.883  1747.70  165.816  1868.36  237.509  1632.98  231.601  380.372   25.147  354.941   26.317 25.43118 36.39974 
1 1 1    0    1   28 o  153.275   16.714  300.949   62.937   0.0000   0.0000  300.949   62.937  ?   ?   153.275   16.714 0.000000 16.71407 
1 1 1    0    1   29 o   98.157   12.582  123.281   30.131  120.224   50.150  125.007   37.693   95.095   21.609   98.173   15.920 -3.077980 26.84065 
1 1 1    0    1   30 o  223.485   11.903  630.466   66.192  635.716   85.458  622.592  104.651  223.605   15.398  220.174   19.227 3.430786 24.63280 
1 1 1    0    1   31 o  198.173   11.886  496.237   58.551  487.986   77.093  507.484   90.005  195.594   15.922  198.817   18.335 -3.223450 24.28343 
1 1 1    0    1   32 f  507.392   19.848  3293.83  251.482  3251.87  310.619  3373.66  428.450  500.745   24.841  500.555   34.487 0.1895752 42.50183 
1 1 1    0    1   33 o  315.787   25.161  1304.46  196.766  1304.46  196.766   0.0000   0.0000  315.787   25.161  ?   ?  0.000000 25.16086 
1 1 1    0    1   34 o  149.633   11.553  283.847   42.837  352.321   65.511  232.700   56.618  165.743   16.028  134.057   17.318 31.68559 23.59664 
1 1 1    0    1   35 o  132.261   12.338  222.891   40.278  259.477   65.349  200.477   51.149  140.985   19.049  124.249   16.926 16.73575 25.48231 
1 1 1    0    1   36 o  107.453   16.775  151.119   43.542   0.0000   0.0000  151.119   43.542  ?   ?   107.453   16.775 0.000000 16.77526 
1 1 1    0    1   37 o  119.470   37.944  210.606  127.214  210.606  127.214   0.0000   0.0000  119.470   37.944  ?   ?  0.000000 37.94353 
1 1 1    0    1   38 o   56.951   15.510   43.189   22.654  146.943   60.238   26.098   24.448  102.733   23.926   47.382   16.662 55.35051 29.15619 
1 1 1    0    1   39 o  187.992   13.560  456.753   63.232  431.673   92.503  478.752   86.634  178.502   21.164  189.780   18.516 -11.27774 28.12075 
1 1 1    0    1   40 o  130.393   15.043  224.273   48.083  126.075   80.132  279.520   60.106   91.922   30.193  144.755   16.949 -52.83266 34.62453 
1 1 1    0    1   41 o  135.428   31.609  288.778  104.950  288.778  104.950   0.0000   0.0000  135.428   31.609  ?   ?  0.000000 31.60885 
1 1 1    0    1   42 o  132.987   14.718  235.417   48.057  214.047   89.037  244.201   57.086  115.717   30.413  133.824   17.502 -18.10736 35.08942 
1 1 1    0    1   43 o  125.271   15.245  211.575   46.708  187.276   91.710  220.085   54.274  105.118   32.039  126.244   17.703 -21.12553 36.60399 
1 1 1    0    1   44 o   56.939   17.139   45.432   26.366  115.363   88.867   38.683   27.609   83.246   31.375   53.364   17.732 29.88137 36.03924 
1 1 1    0    1   45 o   90.208   18.041  117.310   39.220  105.668  168.960  117.973   40.321   81.292   37.173   90.146   18.531 -8.854706 41.53563 
1 1 1    0    2    0 o  709.175   28.189  6342.79  499.209  4856.46  703.617  7849.34  708.384  613.798   46.245  786.418   36.072 -172.6201 58.64920 
1 1 1    0    2    1 o  624.985   19.188  4899.73  299.462  5111.28  423.748  4688.68  423.259  636.969   26.640  609.829   27.794 27.13940 38.49934 
1 1 1    0    2    4 o  555.196   35.949  3929.33  495.735  3929.33  495.735   0.0000   0.0000  555.196   35.949  ?   ?  0.000000 35.94931 
1 1 1    0    2    5 o   92.394   14.773  109.557   32.938  109.557   32.938   0.0000   0.0000   92.394   14.773  ?   ?  0.000000 14.77343 
1 1 1    0    2    6 o  335.428   16.713  1410.51  139.996  1392.54  197.981  1428.47  197.988  331.720   24.064  336.052   23.746 -4.331360 33.80732 
1 1 1    0    2    7 o  505.989   23.095  3223.75  291.823  3236.86  412.763  3210.64  412.636  503.805   32.991  501.709   33.122 2.096558 46.74881 
1 1 1    0    2    8 o  612.945   27.399  4754.43  419.374  4774.77  593.165  4734.09  593.003  608.855   39.222  606.167   39.389 2.688049 55.58643 
1 1 1    0    2    9 o  745.844   33.042  7111.74  615.411  7175.87  870.508  7047.66  870.136  738.820   47.433  731.825   47.877 6.994995 67.39556 
1 1 1    0    2   10 o  247.333   19.895  776.774  121.840   0.0000   0.0000  776.774  121.840  ?   ?   247.333   19.895 0.000000 19.89509 
1 1 1    0    2   11 o  624.124   28.110  4980.77  438.111  4833.84  619.487  5127.78  619.677  605.547   41.212  624.761   39.928 -19.21411 57.38192 
1 1 1    0    2   12 o  373.909   26.229  1789.27  243.351   0.0000   0.0000  1789.27  243.351  ?   ?   373.909   26.229 0.000000 26.22853 
1 1 1    0    2   13 o  277.295   21.361  976.632  146.779  976.632  146.779   0.0000   0.0000  277.295   21.361  ?   ?  0.000000 21.36133 
1 1 1    0    2   14 o  487.343   22.444  2994.80  273.139  2852.35  386.279  3137.25  386.276  471.861   32.990  495.556   31.376 -23.69449 45.52788 
1 1 1    0    2   15 o  169.959   17.089  365.946   71.545  365.946   71.545   0.0000   0.0000  169.959   17.089  ?   ?  0.000000 17.08887 
1 1 1    0    2   16 o  703.679   30.779  6264.92  540.852  5718.50  764.288  6813.04  765.475  665.343   46.289  728.464   42.261 -63.12054 62.67892 
1 1 1    0    2   17 o  933.927   40.632 11128.40  947.624 10593.19  1339.64 11664.40  1340.64  898.171   60.075  944.880   57.086 -46.70953 82.87208 
1 1 1    0    2   18 o  530.400   24.036  3539.12  318.359  3581.57  450.739  3496.86  449.717  530.489   34.207  524.050   34.559 6.439148 48.62578 
1 1 1    0    2   19 f  271.128   14.912  923.355  100.575  886.632  142.902  959.401  141.577  264.751   21.809  275.638   20.720 -10.88608 30.08229 
1 1 1    0    2   20 o  124.336   15.823  196.814   48.015   0.0000   0.0000  196.814   48.015  ?   ?   124.336   15.823 0.000000 15.82278 
1 1 1    0    2   21 o  1025.62   45.019 13562.72  1153.01 13246.38  1630.78 13878.93  1630.43  993.906   66.082  1019.20   64.392 -25.28979 92.26669 
1 1 1    0    2   22 o  610.477   27.503  4719.87  419.281  4534.39  593.556  4904.60  592.351  592.317   40.369  616.985   38.641 -24.66730 55.88234 
1 1 1    0    2   23 o  517.534   23.293  3385.31  301.039  3590.99  427.434  3182.88  424.052  529.070   32.510  497.203   34.364 31.86737 47.30523 
1 1 1    0    2   24 o  191.087   13.019  460.111   61.756  430.215   89.503  487.277   85.318  183.608   19.836  195.952   17.624 -12.34348 26.53451 
1 1 1    0    2   25 o  509.468   34.351  3379.25  434.473  3379.25  434.473   0.0000   0.0000  509.468   34.351  ?   ?  0.000000 34.35091 
1 1 1    0    2   26 o  258.687   14.864  845.430   95.614  807.880  137.223  880.864  133.300  251.077   22.112  262.719   20.480 -11.64198 30.13919 
1 1 1    0    2   27 o  528.212   24.501  3577.35  323.175  3575.18  458.721  3579.49  455.374  519.571   35.569  520.133   35.268 -0.5623169 50.08965 
1 1 1    0    2   28 o  174.017   11.846  382.451   51.169  455.401   76.932  324.578   68.522  189.027   16.462  159.104   17.538 29.92256 24.05379 
1 1 1    0    2   29 o  117.000   12.791  174.396   36.763  141.336   58.200  196.343   47.421  102.995   23.187  123.643   15.713 -20.64793 28.01018 
1 1 1    0    2   30 o  324.170   24.049  1361.02  193.289   0.0000   0.0000  1361.02  193.289  ?   ?   324.170   24.049 0.000000 24.04863 
1 1 1    0    2   31 o  234.208   12.890  693.531   75.099  641.521   96.631  772.861  119.341  224.068   17.406  245.328   19.645 -21.25908 26.24698 
1 1 1    0    2   32 o  146.181   12.412  271.167   44.882  229.387   62.793  314.805   64.174  132.710   19.532  156.642   16.662 -23.93225 25.67302 
1 1 1    0    2   33 o  140.566   13.583  251.824   47.086  152.866   66.230  352.964   66.956  106.484   25.284  165.969   16.368 -59.48471 30.11980 
1 1 1    0    2   34 o  185.249   22.049  448.055   99.994  448.055   99.994   0.0000   0.0000  185.249   22.049  ?   ?  0.000000 22.04877 
1 1 1    0    2   35 o  177.687   12.729  400.879   56.105  387.658   79.994  413.678   78.710  173.026   18.817  179.114   17.835 -6.088684 25.92596 
1 1 1    0    2   36 o  166.597   12.457  352.923   51.448  396.969   78.829  320.239   67.905  174.994   18.310  157.222   17.597 17.77235 25.39558 
1 1 1    0    2   37 o   81.197   15.438   86.892   30.158   47.607   60.412   99.932   34.805   68.037   25.814   86.917   16.642 -18.88013 30.71378 
1 1 1    0    2   38 o  160.284   15.626  333.088   61.749  311.157  137.682  338.610   69.086  143.198   37.908  160.889   17.477 -17.69128 41.74244 
1 1 1    0    2   39 o  112.770   14.066  165.690   38.750  157.884   71.381  168.952   46.141  104.991   27.056  112.895   16.885 -7.904251 31.89300 
1 1 1    0    2   40 o  199.520   14.330  517.601   70.920  448.194  101.713  583.271   98.936  179.985   23.168  208.663   19.203 -28.67769 30.09147 
1 1 1    0    2   41 o  212.244   13.799  587.101   72.741  614.543  107.468  563.900   98.817  211.905   20.568  203.680   19.673 8.224716 28.46189 
1 1 1    0    2   42 o  142.883   33.155  329.424  116.014  329.424  116.014   0.0000   0.0000  142.883   33.155  ?   ?  0.000000 33.15483 
1 1 1    0    2   43 o  275.195   15.321  1007.42  104.870  1018.87  145.606  995.083  151.167  268.379   21.917  263.354   23.224 5.025513 31.93305 
1 1 1    0    2   44 o   55.038   17.187   41.637   26.206 -32.3968   88.542   48.745   27.435   56.318   26.163   59.034   17.417 -2.716019 31.43000 
1 1 1    0    2   45 o   57.684   17.314   47.033   26.935   69.088   97.050   45.192   28.036   72.882   30.857   56.692   17.789 16.19064 35.61720 
1 1 1    0    3    0 o  125.838   7.3241  198.527   22.916  205.171   32.416  191.889   32.400  127.690   10.252  123.424   10.616 4.265984 14.75811 
1 1 1    0    3    1 o  124.917   7.3929  195.654   22.959  195.067   32.475  196.240   32.463  124.458   10.548  124.837   10.511 -0.3789673 14.89123 
1 1 1    0    3    2 o  128.157   10.679  206.794   33.864  217.736   47.899  195.859   47.884  131.028   14.904  124.051   15.818 6.977257 21.73307 
1 1 1    0    3    3 o  175.531   9.2531  386.205   40.416  363.542   69.941  397.566   49.521  169.508   16.742  177.944   11.202 -8.436310 20.14360 
1 1 1    0    3    4 o  344.956   24.437  1504.89  209.140   0.0000   0.0000  1504.89  209.140  ?   ?   344.956   24.437 0.000000 24.43673 
1 1 1    0    3    5 o  285.418   15.068  1023.15  107.015  1047.98  151.378  998.347  151.305  288.056   21.193  281.031   21.729 7.024994 30.35273 
1 1 1    0    3    6 o  240.330   19.477  729.837  115.885  729.837  115.885   0.0000   0.0000  240.330   19.477  ?   ?  0.000000 19.47692 
1 1 1    0    3    7 o  382.600   18.403  1837.51  175.828  1790.11  248.602  1884.95  248.714  375.621   26.677  385.646   25.978 -10.02481 37.23570 
1 1 1    0    3    8 o  830.831   36.525  8822.72  757.792  8783.06  1071.67  8862.37  1071.70  817.302   52.790  821.195   52.536 -3.892822 74.47709 
1 1 1    0    3    9 o  134.056   10.964  226.447   36.383  221.425   51.552  231.430   51.355  131.864   15.982  134.924   15.525 -3.060379 22.28121 
1 1 1    0    3   10 o  292.771   15.394  1079.75  112.154  1085.94  158.732  1073.59  158.488  292.302   21.906  290.605   22.003 1.696960 31.04781 
1 1 1    0    3   11 o  427.793   29.204  2353.32  310.116   0.0000   0.0000  2353.32  310.116  ?   ?   427.793   29.204 0.000000 29.20403 
1 1 1    0    3   12 o  294.017   15.522  1090.14  113.557  1049.89  160.738  1130.26  160.451  286.924   22.617  298.005   21.710 -11.08081 31.35072 
1 1 1    0    3   13 o  427.517   20.199  2306.52  215.641  2298.40  305.133  2314.62  304.792  423.453   29.031  425.004   28.890 -1.550507 40.95643 
1 1 1    0    3   14 o  336.616   16.964  1426.82  142.138  1330.59  201.083  1522.92  200.944  323.393   25.096  346.517   23.358 -23.12451 34.28463 
1 1 1    0    3   15 o  771.034   33.950  7564.73  653.680  7467.19  924.547  7662.21  924.341  756.894   49.182  767.194   48.497 -10.29987 69.07127 
1 1 1    0    3   16 o  446.743   29.983  2535.07  332.551  2535.07  332.551   0.0000   0.0000  446.743   29.983  ?   ?  0.000000 29.98297 
1 1 1    0    3   17 o  682.208   30.165  5881.28  513.889  5739.82  726.840  6022.68  726.658  668.230   43.800  685.046   42.690 -16.81622 61.16239 
1 1 1    0    3   18 o  669.637   29.477  5661.79  492.921  5885.81  697.872  5438.76  696.320  677.918   41.423  650.903   43.083 27.01556 59.76592 
1 1 1    0    3   19 o  868.940   37.807  9604.75  820.372  8986.76  1159.66 10223.84  1160.70  829.589   56.312  887.499   52.607 -57.90985 77.06150 
1 1 1    0    3   20 o  335.962   16.622  1414.70  139.452  1484.73  198.270  1346.13  196.175  342.773   23.302  326.139   24.261 16.63403 33.63871 
1 1 1    0    3   21 o  643.103   28.091  5226.16  451.134  5602.29  639.690  4853.98  636.323  661.174   38.915  614.082   41.743 47.09210 57.06935 
1 1 1    0    3   22 o  536.760   24.513  3635.28  328.567  3577.94  465.817  3692.05  463.520  528.381   35.510  537.068   34.747 -8.687012 49.68217 
1 1 1    0    3   23 o  183.610   12.256  424.126   55.871  455.595   81.462  396.176   76.773  189.637   17.396  176.692   17.635 12.94519 24.77155 
1 1 1    0    3   24 o  399.007   19.605  2007.03  195.339  1835.05  277.261  2176.52  275.252  378.147   29.598  412.971   26.836 -34.82352 39.95251 
1 1 1    0    3   25 o  596.845   27.276  4547.49  406.537  4284.05  575.721  4809.48  574.144  570.476   40.680  606.475   38.104 -35.99957 55.73832 
1 1 1    0    3   26 o  199.791   19.330  509.611   95.233  509.611   95.233   0.0000   0.0000  199.791   19.330  ?   ?  0.000000 19.32954 
1 1 1    0    3   27 o  248.282   14.800  779.443   91.345  716.008  131.517  838.563  126.965  235.940   22.598  256.270   19.998 -20.33017 30.17619 
1 1 1    0    3   28 o  237.575   13.455  712.962   79.495  798.125  115.965  637.463  109.187  250.108   18.703  223.068   19.807 27.04008 27.24185 
1 1 1    0    3   29 o  211.779   13.736  567.675   72.252  541.848  105.790  590.255   98.915  205.045   20.955  214.772   18.628 -9.727203 28.03744 
1 1 1    0    3   30 f  432.523   21.045  2391.49  227.303  2323.97  324.007  2456.92  318.962  419.638   31.141  432.562   29.708 -12.92468 43.03926 
1 1 1    0    3   31 o  498.287   34.353  3318.07  424.845   0.0000   0.0000  3318.07  424.845  ?   ?   498.287   34.353 0.000000 34.35281 
1 1 1    0    3   32 o  267.045   15.624  906.005  103.738  852.108  151.230  953.904  142.567  256.000   23.934  272.127   21.146 -16.12634 31.93716 
1 1 1    0    3   33 o  318.164   14.389  1279.85  114.322  1254.86  144.443  1321.74  187.044  313.245   18.548  319.197   23.634 -5.952209 30.04300 
1 1 1    0    3   34 o  264.674   13.036  884.243   86.162  901.553  112.183  859.343  134.548  265.737   16.994  257.895   21.076 7.842529 27.07430 
1 1 1    0    3   35 o  147.691   24.414  290.076   86.896  290.076   86.896   0.0000   0.0000  147.691   24.414  ?   ?  0.000000 24.41393 
1 1 1    0    3   36 o  103.774   24.730  146.089   63.177  146.089   63.177   0.0000   0.0000  103.774   24.730  ?   ?  0.000000 24.73022 
1 1 1    0    3   37 o   94.995   14.822  117.470   34.012   67.914   63.052  137.810   40.394   75.310   26.728  102.660   16.301 -27.35047 31.30710 
1 1 1    0    3   38 f  109.000   14.677  154.355   38.933   82.045   67.396  190.572   47.697   80.152   27.693  120.835   16.216 -40.68249 32.09170 
1 1 1    0    3   39 o   89.200   15.215  104.985   32.675   67.036   66.646  116.994   37.490   74.647   27.348   93.844   16.605 -19.19764 31.99495 
1 1 1    0    3   40 o  312.963   20.214  1307.84  157.132  1084.65  248.013  1457.51  203.094  263.535   38.852  324.682   25.247 -61.14682 46.33480 
1 1 1    0    3   41 o  161.387   14.056  339.804   56.083  320.254   91.522  351.559   70.968  149.796   25.372  162.122   17.824 -12.32524 31.00717 
1 1 1    0    3   42 o   62.137   16.613   52.935   26.275   64.148   77.552   51.481   27.926   73.381   28.866   61.278   17.424 12.10287 33.71666 
1 1 1    0    3   43 o  235.418   15.107  733.579   88.343  707.431  128.143  757.264  121.958  222.673   23.395  232.998   21.193 -10.32458 31.56635 
1 1 1    0    3   44 o  145.279   14.998  282.542   53.627  310.594  103.561  272.263   62.686  138.835   30.687  140.348   18.323 -1.512482 35.74139 
1 1 1    0    3   45 o   30.684   13.198   0.3607   18.257  133.249   93.700  -4.8835   18.614   88.147   32.407   28.962   12.864 59.18508 34.86732 
1 1 1    0    4    0 o  115.285   7.4188  166.759   21.244  168.831   30.049  164.688   30.039  115.719   10.513  114.264   10.650 1.455544 14.96512 
1 1 1    0    4    1 o  186.971   8.4311  436.905   39.365  426.053   55.667  447.759   55.673  184.137   12.175  188.819   11.868 -4.681473 17.00200 
1 1 1    0    4    2 o  879.444   26.833  9750.75  589.281  9791.44  833.425  9710.07  833.312  877.019   38.055  873.298   38.212 3.720703 53.92840 
1 1 1    0    4    3 o  172.559   8.1805  372.127   35.251  376.676   49.862  367.581   49.843  173.145   11.599  171.019   11.742 2.126053 16.50512 
1 1 1    0    4    4 o  373.244   18.044  1747.22  168.181  1779.99  237.875  1714.46  237.814  375.043   25.551  367.945   26.051 7.098511 36.48983 
1 1 1    0    4    5 o  395.186   18.780  1959.75  185.328  2062.03  262.242  1857.71  261.944  403.599   26.161  382.694   27.595 20.90540 38.02444 
1 1 1    0    4    6 o  253.894   13.200  809.139   83.399  631.382  117.637  988.761  118.253  223.106   21.376  280.294   16.975 -57.18781 27.29617 
1 1 1    0    4    7 f  450.914   20.972  2556.76  236.149  2553.34  333.965  2560.18  333.966  447.992   30.026  448.605   29.984 -0.6130066 42.43386 
1 1 1    0    4    8 o  608.821   27.227  4689.94  413.937  4632.94  585.326  4746.96  585.464  599.667   39.305  607.262   38.811 -7.595093 55.23706 
1 1 1    0    4    9 f  261.257   14.348  858.506   93.247  832.739  131.880  884.266  131.861  256.257   20.788  264.238   20.135 -7.980347 28.94063 
1 1 1    0    4   10 o  119.149   10.732  179.216   31.588  173.445   44.750  184.946   44.594  116.443   15.798  120.415   15.167 -3.972870 21.89954 
1 1 1    0    4   11 o   73.259   14.911   69.876   26.350   0.0000   0.0000   69.876   26.350  ?   ?    73.259   14.911 0.000000 14.91081 
1 1 1    0    4   12 o  441.688   30.038  2512.82  329.341  2512.82  329.341   0.0000   0.0000  441.688   30.038  ?   ?  0.000000 30.03776 
1 1 1    0    4   13 o  153.067   16.340  297.927   61.494   0.0000   0.0000  297.927   61.494  ?   ?   153.067   16.340 0.000000 16.34036 
1 1 1    0    4   14 o  430.793   20.306  2337.90  218.443  2305.59  309.084  2370.14  308.767  424.819   29.315  430.898   28.862 -6.078613 41.13826 
1 1 1    0    4   15 o  599.260   26.855  4539.38  401.875  4380.40  568.336  4698.37  568.338  583.431   39.237  604.952   37.811 -21.52100 54.49065 
1 1 1    0    4   16 o  601.037   26.891  4558.46  403.604  4375.81  570.800  4741.10  570.765  584.144   39.360  608.773   37.731 -24.62842 54.52341 
1 1 1    0    4   17 f  757.640   33.280  7273.61  629.643  7177.50  890.591  7369.67  890.307  745.300   48.108  755.604   47.424 -10.30383 67.55374 
1 1 1    0    4   18 o  389.507   26.918  1920.85  260.217  1920.85  260.217   0.0000   0.0000  389.507   26.918  ?   ?  0.000000 26.91797 
1 1 1    0    4   19 o  749.851   32.962  7119.27  617.214  6980.44  873.116  7257.94  872.628  735.495   47.797  750.530   46.793 -15.03461 66.88910 
1 1 1    0    4   20 o  389.497   18.549  1903.02  180.415  1985.28  256.105  1821.97  254.196  396.109   26.036  379.200   27.021 16.90891 37.52351 
1 1 1    0    4   21 o  511.661   23.495  3295.18  300.204  3176.26  425.151  3413.44  423.956  498.962   34.330  517.761   32.961 -18.79904 47.59213 
1 1 1    0    4   22 o  646.862   28.836  5296.58  465.804  4820.14  658.794  5772.88  658.699  610.415   43.504  670.253   39.530 -59.83783 58.78065 
1 1 1    0    4   23 o  219.264   18.811  608.804  102.000   0.0000   0.0000  608.804  102.000  ?   ?   219.264   18.811 0.000000 18.81081 
1 1 1    0    4   24 o  481.977   22.252  2934.13  267.822  2990.05  380.064  2878.98  377.464  482.745   31.704  473.491   32.114 9.254608 45.12650 
1 1 1    0    4   25 o  301.263   16.423  1145.12  123.086  1033.55  175.595  1252.89  172.583  284.188   24.998  313.863   22.162 -29.67496 33.40699 
1 1 1    0    4   26 o  356.574   17.150  1603.23  152.709  1744.71  218.194  1467.39  213.798  369.596   23.767  338.242   25.500 31.35397 34.85825 
1 1 1    0    4   27 o  543.593   36.809  3901.70  496.714  3901.70  496.714   0.0000   0.0000  543.593   36.809  ?   ?  0.000000 36.80859 
1 1 1    0    4   28 o  271.900   15.123  935.359  102.276  937.249  147.327  933.601  142.096  270.211   22.025  269.934   21.252 0.2770386 30.60658 
1 1 1    0    4   29 o  197.770   13.406  494.866   65.818  471.287   96.929  515.039   89.657  191.260   20.621  200.722   18.081 -9.462830 27.42524 
1 1 1    0    4   30 o  306.461   16.592  1192.79  126.505  1147.96  181.992  1234.70  175.970  297.594   24.713  309.474   22.933 -11.87985 33.71442 
1 1 1    0    4   31 o  108.163   12.998  149.478   34.405  128.928   57.659  160.840   42.874   98.214   23.767  111.678   15.816 -13.46392 28.54792 
1 1 1    0    4   32 f  369.682   26.543  1782.27  243.408   0.0000   0.0000  1782.27  243.408  ?   ?   369.682   26.543 0.000000 26.54341 
1 1 1    0    4   33 o  361.625   19.150  1672.33  172.314  1529.76  247.835  1805.74  239.743  340.385   29.447  372.198   25.957 -31.81204 39.25396 
1 1 1    0    4   34 o  235.524   12.210  700.818   71.567  761.077   95.703  624.368  107.796  244.536   15.756  220.135   19.822 24.40068 25.32114 
1 1 1    0    4   35 o  102.288   16.530  136.174   40.782   0.0000   0.0000  136.174   40.782  ?   ?   102.288   16.530 0.000000 16.52954 
1 1 1    0    4   36 o  136.716   12.567  237.966   42.424  282.098   68.997  211.141   53.794  147.209   19.229  127.568   17.336 19.64025 25.88948 
1 1 1    0    4   37 o  226.111   23.787  674.591  132.296  674.591  132.296   0.0000   0.0000  226.111   23.787  ?   ?  0.000000 23.78680 
1 1 1    0    4   38 o   59.068   15.946   46.172   24.069   38.541   61.317   47.562   26.169   65.647   25.715   60.006   16.799 5.641167 30.71586 
1 1 1    0    4   39 o  107.587   14.597  150.711   38.205  101.259   70.419  171.338   45.480   86.439   28.299  114.253   16.412 -27.81409 32.71394 
1 1 1    0    4   40 o   87.945   15.649  102.700   33.107   54.348   69.450  116.919   37.662   71.235   27.516   93.619   16.723 -22.38432 32.19896 
1 1 1    0    4   41 o  319.787   20.432  1375.16  162.307  1179.46  257.387  1504.36  209.129  272.401   38.947  327.782   25.757 -55.38098 46.69321 
1 1 1    0    4   42 o   54.878   16.403   40.374   24.212   25.557   73.613   42.171   25.639   63.831   26.941   56.053   16.908 7.778347 31.80706 
1 1 1    0    4   43 o  163.876   15.051  355.345   60.905  285.688  102.015  393.925   75.920  135.207   30.890  170.531   18.105 -35.32381 35.80520 
1 1 1    0    4   44 o  122.617   14.833  200.794   44.494  247.609   96.755  188.238   50.107  123.795   31.285  117.126   17.682 6.668404 35.93568 
1 1 1    0    4   45 o   93.729   36.603  156.486  123.940  156.486  123.940   0.0000   0.0000   93.729   36.603  ?   ?  0.000000 36.60260 
1 1 1    0    4   46 o  112.864   16.320  176.182   44.662  148.286  107.318  182.026   49.117   89.972   34.342  113.684   17.893 -23.71180 38.72367 
1 1 1    0    5    0 o  259.183   8.9683  839.780   58.045  858.517   82.123  821.074   82.054  261.904   12.557  255.791   12.887 6.113220 17.99302 
1 1 1    0    5    1 o  130.282   7.6682  212.847   24.838  204.066   35.129  221.625   35.122  127.239   11.169  132.689   10.690 -5.450211 15.46058 
1 1 1    0    5    2 o  554.780   17.558  3860.10  243.251  3940.40  344.114  3779.90  343.905  559.317   24.637  547.708   25.144 11.60901 35.20269 
1 1 1    0    5    3 o  426.749   13.759  2280.09  146.621  2315.86  207.408  2244.35  207.298  429.512   19.337  422.794   19.634 6.718231 27.55800 
1 1 1    0    5    4 o  274.675   10.241  943.462   70.246  945.116   99.342  941.808   99.342  274.319   14.554  273.834   14.580 0.4850464 20.60102 
1 1 1    0    5    5 o  309.379   11.115  1197.32   85.875  1184.36  121.430  1210.29  121.460  306.995   15.894  310.367   15.723 -3.371490 22.35677 
1 1 1    0    5    6 o  155.996   11.270  306.027   43.605  336.229   61.718  275.924   61.617  163.085   15.335  147.346   17.062 15.73796 22.94022 
1 1 1    0    5    7 o  180.141   11.911  407.925   53.278  433.445   75.381  382.452   75.312  185.168   16.474  173.680   17.608 11.48842 24.11304 
1 1 1    0    5    8 o  308.481   11.139  1190.98   85.808  1191.94  121.343  1190.02  121.357  307.832   15.839  307.581   15.854 0.2508850 22.41016 
1 1 1    0    5    9 o  685.168   24.694  5941.60  422.508  5891.14  731.745  5966.83  517.486  671.320   43.891  684.303   30.283 -12.98328 53.32445 
1 1 1    0    5   10 o  311.527   12.430  1216.70   96.700  993.979  167.169  1328.70  118.546  278.988   24.236  325.300   14.593 -46.31161 28.29021 
1 1 1    0    5   11 o  320.203   16.321  1293.62  130.069  1217.77  183.862  1369.62  184.030  308.765   24.035  327.965   22.608 -19.19971 32.99749 
1 1 1    0    5   12 f  406.262   19.414  2084.26  196.962  2069.41  278.628  2099.10  278.464  401.488   27.965  404.460   27.738 -2.971313 39.38860 
1 1 1    0    5   13 o  103.097   10.706  134.549   27.160  127.919   38.674  141.001   38.151   99.629   16.093  104.907   14.989 -5.277946 21.99267 
1 1 1    0    5   14 o  399.999   27.521  2040.29  273.230   0.0000   0.0000  2040.29  273.230  ?   ?   399.999   27.521 0.000000 27.52128 
1 1 1    0    5   15 o  155.600   11.543  304.661   44.532  306.927   63.382  302.452   62.582  155.545   16.573  154.408   16.485 1.137268 23.37578 
1 1 1    0    5   16 o  596.050   26.702  4482.84  397.447  4434.79  562.294  4530.83  561.856  588.371   38.482  594.914   38.019 -6.542847 54.09522 
1 1 1    0    5   17 o  239.733   13.943  721.895   83.108  654.761  117.872  788.262  117.196  227.370   20.997  249.952   18.916 -22.58250 28.26130 
1 1 1    0    5   18 o  147.533   11.250  273.789   41.135  311.856   58.934  237.625   57.441  157.076   15.215  136.626   17.218 20.45000 22.97781 
1 1 1    0    5   19 o  634.068   40.671  5145.86  640.590  5145.86  640.590   0.0000   0.0000  634.068   40.671  ?   ?  0.000000 40.67149 
1 1 1    0    5   20 o  1009.67   44.035 13055.86  1110.28 12710.22  1570.14 13401.53  1570.21  980.508   64.486  1008.46   62.662 -27.95264 89.91631 
1 1 1    0    5   21 o  471.982   21.564  2799.84  254.158  2945.78  360.545  2655.69  358.332  481.722   30.123  456.912   31.599 24.80948 43.65682 
1 1 1    0    5   22 o  886.380   38.832 10045.02  859.520  9460.47  1215.39 10629.86  1215.70  846.568   57.838  900.392   54.323 -53.82330 79.34833 
1 1 1    0    5   23 o  238.608   14.434  716.213   85.602  626.661  122.451  801.806  119.714  221.897   22.405  251.832   19.181 -29.93533 29.49383 
1 1 1    0    5   24 o  349.778   24.916  1556.07  216.210   0.0000   0.0000  1556.07  216.210  ?   ?   349.778   24.916 0.000000 24.91614 
1 1 1    0    5   25 o  355.995   18.497  1600.90  163.873  1322.99  232.771  1873.98  230.745  320.609   29.401  383.718   24.205 -63.10931 38.08304 
1 1 1    0    5   26 o  122.800   11.911  190.887   36.065  189.981   55.231  191.560   47.618  121.288   18.847  122.362   15.964 -1.073669 24.69989 
1 1 1    0    5   27 o  330.421   16.781  1380.98  138.011  1423.61  197.514  1340.31  192.920  333.324   23.887  323.316   24.067 10.00885 33.90914 
1 1 1    0    5   28 o  174.077   12.635  382.915   54.552  383.367   81.235  382.544   73.623  172.865   19.140  173.108   17.261 -0.2425690 25.77363 
1 1 1    0    5   29 o  274.779   22.397  971.027  152.348  971.027  152.348   0.0000   0.0000  274.779   22.397  ?   ?  0.000000 22.39743 
1 1 1    0    5   30 o  167.343   13.048  354.738   54.094  323.206   81.601  379.458   72.251  157.782   21.251  172.273   17.017 -14.49059 27.22467 
1 1 1    0    5   31 o  190.436   13.951  459.858   65.884  389.511   98.471  516.872   88.650  172.691   23.440  201.019   17.846 -28.32816 29.46011 
1 1 1    0    5   32 o  196.480   13.772  489.364   67.145  455.899  101.022  515.846   89.868  187.420   22.003  200.674   18.129 -13.25443 28.50996 
1 1 1    0    5   33 o  359.736   19.056  1653.60  170.578  1544.04  246.789  1753.83  236.036  342.396   29.141  367.002   25.922 -24.60559 39.00131 
1 1 1    0    5   34 o  307.609   17.889  1207.86  136.820  1022.42  199.119  1373.72  188.317  277.920   29.123  325.700   23.308 -47.78043 37.30184 
1 1 1    0    5   35 o   88.606   13.571  101.374   29.071  152.900   56.233   82.581   33.961  107.264   21.738   79.045   17.651 28.21809 28.00182 
1 1 1    0    5   36 o  194.799   12.007  480.243   58.121  553.743   84.322  413.718   80.222  208.083   16.360  179.151   18.184 28.93214 24.45987 
1 1 1    0    5   37 o  189.327   13.224  455.732   62.130  424.423   88.666  485.933   87.085  180.594   19.997  194.021   18.186 -13.42758 27.02953 
1 1 1    0    5   38 o   54.792   24.256 -15.1688   65.642 -15.1688   65.642   0.0000   0.0000   54.792   24.256  ?   ?  0.000000 24.25614 
1 1 1    0    5   39 o  116.762   12.881  175.325   36.934  268.712   71.860  141.799   43.056  142.027   20.885  103.627   17.244 38.39981 27.08415 
1 1 1    0    5   40 o  211.501   13.656  574.673   71.742  566.006  103.010  582.835   99.973  206.496   20.237  210.141   19.266 -3.644638 27.94074 
1 1 1    0    5   41 o  293.963   14.978  1120.76  109.589  1118.61  145.980  1123.54  165.887  289.196   20.343  286.848   23.361 2.347931 30.97755 
1 1 1    0    5   42 o  102.627   15.038  139.663   37.395  507.088  147.879  114.562   38.651  181.197   33.929   91.839   17.492 89.35759 38.17236 
1 1 1    0    5   43 o   82.564   16.378   92.753   32.575   56.967   83.680   99.144   35.365   72.951   29.547   85.091   17.234 -12.13988 34.20613 
1 1 1    0    5   44 o   77.354   15.939   81.791   29.764  194.637   91.324   68.380   31.483  109.899   31.594   70.021   17.928 39.87879 36.32578 
1 1 1    0    5   45 o   57.546   16.659   45.712   25.311  169.541   94.484   36.138   26.271  100.216   32.779   52.265   17.294 47.95153 37.06100 
1 1 1    0    5   46 o   70.262   32.348   6.5914  130.956   6.5914  130.956   0.0000   0.0000   70.262   32.348  ?   ?  0.000000 32.34797 
1 1 1    0    6    0 o  521.249   15.923  3407.49  207.259  3382.42  293.082  3432.57  293.134  518.156   22.651  522.018   22.487 -3.861206 31.91719 
1 1 1    0    6    1 o  382.617   18.437  1838.19  176.162  1875.72  249.050  1800.61  249.210  384.571   26.088  376.625   26.670 7.946106 37.30761 
1 1 1    0    6    2 o  713.409   22.078  6404.60  393.319  6468.25  556.318  6340.98  556.155  714.181   31.193  707.013   31.501 7.168396 44.33188 
1 1 1    0    6    3 o  459.309   14.929  2643.42  171.229  2638.47  242.176  2648.36  242.133  458.062   21.172  458.927   21.128 -0.8643799 29.91046 
1 1 1    0    6    4 o  542.679   17.185  3694.52  232.892  3694.63  329.378  3694.40  329.341  541.401   24.363  541.385   24.361 0.1654053E-01 34.45260 
1 1 1    0    6    5 o  316.957   11.331  1257.01   89.682  1249.43  126.822  1264.60  126.837  315.247   16.164  317.172   16.066 -1.925018 22.79068 
1 1 1    0    6    6 o  425.178   14.015  2264.81  148.801  2209.70  210.366  2320.00  210.506  419.226   20.094  429.631   19.621 -10.40497 28.08501 
1 1 1    0    6    7 o  655.348   20.419  5403.90  334.170  5454.36  472.641  5353.48  472.535  655.897   28.857  649.711   29.125 6.186096 40.99946 
1 1 1    0    6    8 o  686.528   21.306  5940.25  365.267  6113.31  516.766  5767.45  516.364  693.353   29.846  673.092   30.721 20.26129 42.83175 
1 1 1    0    6    9 o  484.791   15.705  2951.97  190.129  3020.69  268.955  2883.32  268.810  489.002   22.025  477.623   22.538 11.37921 31.51277 
1 1 1    0    6   10 o  226.359   13.277  645.085   74.724   0.0000   0.0000  645.085   74.724  ?   ?   226.359   13.277 0.000000 13.27746 
1 1 1    0    6   11 o  670.904   24.055  5718.67  403.006  5191.10  697.205  5983.39  493.872  624.576   45.003  683.632   28.930 -59.05615 53.49969 
1 1 1    0    6   12 o  295.771   12.074  1097.06   89.178  899.700  154.189  1196.26  109.316  265.248   23.522  308.598   14.185 -43.34924 27.46859 
1 1 1    0    6   13 f  144.678   11.303  263.832   40.513  242.788   57.378  284.755   57.212  137.889   17.025  149.744   15.525 -11.85474 23.04091 
1 1 1    0    6   14 o  329.093   16.695  1363.97  136.750  1323.08  193.512  1404.77  193.275  322.582   24.199  332.629   23.418 -10.04742 33.67455 
1 1 1    0    6   15 o  124.095   15.707  196.148   47.585   0.0000   0.0000  196.148   47.585  ?   ?   124.095   15.707 0.000000 15.70722 
1 1 1    0    6   16 o  469.090   21.718  2766.81  254.401  2740.04  359.995  2793.51  359.561  464.082   31.245  468.703   30.893 -4.620636 43.93950 
1 1 1    0    6   17 o  199.973   12.734  502.414   63.258  486.651   89.925  517.854   89.002  196.098   18.586  202.451   17.785 -6.353241 25.72406 
1 1 1    0    6   18 o  618.749   27.295  4826.19  421.748  5116.55  597.314  4537.52  595.573  633.215   37.950  595.352   40.297 37.86340 55.35381 
1 1 1    0    6   19 o  392.315   18.645  1930.24  182.664  2033.20  259.011  1828.36  257.647  400.986   26.007  379.904   27.341 21.08182 37.73435 
1 1 1    0    6   20 o  493.972   32.623  3102.00  400.147  3102.00  400.147   0.0000   0.0000  493.972   32.623  ?   ?  0.000000 32.62266 
1 1 1    0    6   21 o  354.769   17.877  1582.45  157.866  1441.54  223.832  1721.92  222.685  337.063   26.814  369.063   24.298 -32.00003 36.18580 
1 1 1    0    6   22 o  865.093   37.919  9551.77  819.173  9082.59  1158.46 10020.99  1158.52  831.288   56.134  875.506   53.243 -44.21838 77.36830 
1 1 1    0    6   23 o  849.847   37.398  9243.49  793.679  9255.03  1123.31  9231.99  1121.56  837.925   53.971  836.892   53.954 1.033386 76.31418 
1 1 1    0    6   24 o  603.717   26.574  4618.96  400.628  4967.29  568.352  4274.95  564.811  620.876   36.822  574.420   39.617 46.45575 54.08684 
1 1 1    0    6   25 o  714.430   46.678  6747.00  828.191   0.0000   0.0000  6747.00  828.191  ?   ?   714.430   46.678 0.000000 46.67818 
1 1 1    0    6   26 o  245.014   15.043  757.436   91.595  627.828  131.480  879.651  127.675  221.049   24.215  263.215   19.564 -42.16605 31.13065 
1 1 1    0    6   27 o  382.079   18.712  1845.52  178.535  1848.84  254.546  1842.31  250.477  378.990   27.074  378.482   26.672 0.5075989 38.00550 
1 1 1    0    6   28 o  436.685   20.784  2423.35  226.651  2436.75  322.667  2410.29  318.440  432.875   30.036  430.645   29.794 2.229248 42.30658 
1 1 1    0    6   29 o  245.179   14.435  760.280   87.991  752.964  127.823  766.870  121.310  242.171   21.355  244.817   20.018 -2.646561 29.27049 
1 1 1    0    6   30 o  224.928   20.750  650.149  115.236  650.149  115.236   0.0000   0.0000  224.928   20.750  ?   ?  0.000000 20.75002 
1 1 1    0    6   31 o  165.803   13.788  348.941   56.569  257.645   85.119  421.164   75.708  139.369   25.393  181.576   16.890 -42.20660 30.49720 
1 1 1    0    6   32 o  310.757   16.885  1227.72  130.541  1180.20  188.843  1271.22  180.655  301.325   25.332  313.769   23.221 -12.44418 34.36450 
1 1 1    0    6   33 o  260.018   15.075  857.598   97.467  862.973  143.831  853.034  132.538  258.381   22.517  257.525   20.787 0.8566589 30.64467 
1 1 1    0    6   34 o  430.734   30.163  2448.62  322.391   0.0000   0.0000  2448.62  322.391  ?   ?   430.734   30.163 0.000000 30.16286 
1 1 1    0    6   36 o  239.963   12.950  728.922   77.313  751.151  104.247  701.750  115.254  242.312   17.343  233.249   19.980 9.062637 26.45702 
1 1 1    0    6   37 o  220.290   12.970  615.402   71.032  629.364   98.611  600.346  102.405  221.228   18.006  215.600   19.222 5.627655 26.33824 
1 1 1    0    6   38 o  166.404   12.570  352.279   51.849  405.083   81.808  316.828   67.031  176.570   18.845  156.391   17.462 20.17905 25.69129 
1 1 1    0    6   39 o  201.531   25.475  547.354  125.341  547.354  125.341   0.0000   0.0000  201.531   25.475  ?   ?  0.000000 25.47493 
1 1 1    0    6   40 o  187.864   13.799  453.268   64.280  420.073   95.605  480.654   86.839  177.040   22.107  191.475   18.388 -14.43495 28.75441 
1 1 1    0    6   41 o  128.397   13.655  213.736   43.110  239.433   80.425  203.375   51.066  130.502   25.593  124.004   16.933 6.497665 30.68810 
1 1 1    0    6   42 o   86.492   15.532   99.992   32.315  105.254   80.353   98.976   35.295   86.426   30.217   85.492   17.129 0.9332809 34.73411 
1 1 1    0    6   43 o   83.687   16.611   95.146   33.490  137.092  149.823   92.940   34.359   97.209   39.479   82.458   17.241 14.75098 43.07961 
1 1 1    0    6   44 o  100.604   15.189  135.479   36.970  181.590   92.172  126.638   40.359  106.525   32.042   96.212   17.440 10.31288 36.48062 
1 1 1    0    6   45 o   92.342   16.475  116.620   36.597   82.697   97.181  122.226   39.505   79.287   31.937   94.114   17.452 -14.82702 36.39428 
1 1 1    0    6   46 o  162.037   14.960  351.892   59.851  407.364  117.613  332.507   69.526  158.691   30.790  154.907   18.329 3.783890 35.83224 
1 1 1    0    6   47 o  135.724   43.998  421.883  170.388  421.883  170.388   0.0000   0.0000  135.724   43.998  ?   ?  0.000000 43.99839 
1 1 1    0    7    0 o   73.018   7.2103   67.293   12.976   64.989   18.386   69.578   18.314   71.279   10.657   73.874   10.200 -2.594353 14.75124 
1 1 1    0    7    1 o   47.432   7.3979   28.793   8.4767   30.952   12.039   26.669   11.938   48.831   10.201   45.260   10.726 3.571609 14.80275 
1 1 1    0    7    2 o  653.709   29.085  5420.87  474.796  5492.03  671.472  5349.72  671.454  651.527   41.487  642.683   42.070 8.843567 59.08502 
1 1 1    0    7    3 o  574.155   17.983  4140.52  257.836  4277.58  364.812  4003.73  364.459  581.951   25.103  562.799   25.933 19.15259 36.09260 
1 1 1    0    7    4 o  362.536   12.170  1645.51  110.181  1679.26  155.893  1611.83  155.746  365.756   17.068  358.299   17.407 7.456879 24.37860 
1 1 1    0    7    5 o  638.531   19.880  5128.54  316.991  5043.02  448.212  5214.11  448.375  630.756   28.456  641.522   27.988 -10.76630 39.91354 
1 1 1    0    7    6 o  523.395   16.668  3439.14  217.855  3513.93  308.170  3364.44  308.016  527.665   23.387  516.198   23.895 11.46680 33.43555 
1 1 1    0    7    7 o  122.236   7.4551  187.473   22.647  177.776   31.979  197.229   32.078  118.676   10.913  125.114   10.360 -6.437950 15.04764 
1 1 1    0    7    8 o  499.641   16.109  3136.20  200.997  3112.05  284.215  3160.37  284.289  496.154   22.939  500.037   22.767 -3.882629 32.31951 
1 1 1    0    7    9 o  769.063   33.671  7608.04  646.648   0.0000   0.0000  7608.04  646.648  ?   ?   769.063   33.671 0.000000 33.67091 
1 1 1    0    7   10 o  643.916   28.759  5303.44  462.441  5303.44  462.441   0.0000   0.0000  643.916   28.759  ?   ?  0.000000 28.75915 
1 1 1    0    7   11 o  220.565   8.8891  608.906   48.960  607.752   69.180  610.064   69.302  219.723   12.662  220.142   12.660 -0.4191437 17.90497 
1 1 1    0    7   12 o  383.701   14.990  1850.42  143.625  1895.63  248.850  1827.84  175.874  384.990   26.037  380.698   18.500 4.291870 31.94057 
1 1 1    0    7   13 o  435.973   16.193  2389.36  176.298  2592.98  305.754  2287.96  215.779  450.599   27.302  425.802   20.293 24.79657 34.01744 
1 1 1    0    7   14 o  491.272   18.367  3035.04  225.325  3009.77  390.351  3047.67  275.938  484.570   32.446  491.422   22.486 -6.851959 39.47613 
1 1 1    0    7   15 o  500.698   17.849  3147.38  223.177  2588.10  385.703  3428.87  273.637  449.413   34.635  522.065   20.989 -72.65207 40.49883 
1 1 1    0    7   16 o  671.224   42.981  5800.78  716.644   0.0000   0.0000  5800.78  716.644  ?   ?   671.224   42.981 0.000000 42.98060 
1 1 1    0    7   17 o  229.443   13.548  661.228   77.281  637.404  109.666  684.729  108.921  224.494   19.764  232.862   18.894 -8.367462 27.34195 
1 1 1    0    7   18 o  885.494   38.166  9974.11  843.948 10706.97  1195.02  9244.90  1192.03  908.396   52.909  841.293   57.078 67.10242 77.82864 
1 1 1    0    7   19 o  122.829   11.355  190.289   34.434  181.073   49.481  198.943   47.949  118.994   17.147  125.059   15.700 -6.065338 23.24872 
1 1 1    0    7   20 o  395.910   19.008  1966.31  187.925  1954.37  266.282  1978.17  265.253  392.807   27.316  395.260   27.036 -2.452850 38.43341 
1 1 1    0    7   21 f  503.034   33.183  3220.72  414.490  3220.72  414.490   0.0000   0.0000  503.034   33.183  ?   ?  0.000000 33.18274 
1 1 1    0    7   22 o  536.788   24.419  3630.24  327.321  3588.91  463.617  3671.31  462.191  530.065   35.226  536.319   34.696 -6.254028 49.44354 
1 1 1    0    7   23 o  455.713   20.117  2611.27  228.931  2994.19  325.672  2237.23  321.875  485.918   26.945  418.717   31.004 67.20078 41.07605 
1 1 1    0    7   24 o  265.317   14.945  885.729   98.615  853.305  141.218  916.589  137.771  259.225   22.024  268.991   20.668 -9.765808 30.20319 
1 1 1    0    7   25 o  477.457   22.548  2881.63  268.838  2636.96  381.105  3123.97  379.289  452.060   34.009  493.576   30.929 -41.51547 45.96955 
1 1 1    0    7   26 o  346.787   24.860  1535.79  213.856   0.0000   0.0000  1535.79  213.856  ?   ?   346.787   24.860 0.000000 24.85995 
1 1 1    0    7   27 o  106.487   11.877  144.008   31.045  162.922   50.378  132.428   39.420  112.119   18.648  101.317   16.120 10.80202 24.65005 
1 1 1    0    7   28 o  324.765   16.470  1334.42  133.133  1402.03  191.092  1270.65  185.585  330.786   23.282  314.651   23.795 16.13477 33.29054 
1 1 1    0    7   29 o  158.712   12.171  318.409   47.869  343.070   72.920  299.733   63.457  163.604   18.155  153.077   16.881 10.52765 24.79028 
1 1 1    0    7   30 o  237.243   13.620  711.285   80.350  783.755  118.157  648.943  109.589  247.639   19.258  225.080   19.696 22.55865 27.54648 
1 1 1    0    7   31 o  135.269   20.493  238.213   67.056  238.213   67.056   0.0000   0.0000  135.269   20.493  ?   ?  0.000000 20.49324 
1 1 1    0    7   32 o  159.833   13.592  324.342   53.737  264.157   83.291  367.258   70.333  141.391   24.476  169.440   16.846 -28.04878 29.71284 
1 1 1    0    7   33 o  117.620   13.038  176.411   37.652  171.831   64.745  178.751   46.282  113.633   23.589  117.764   16.164 -4.130867 28.59566 
1 1 1    0    7   34 o   82.357   14.070   87.960   27.897  125.207   61.210   78.195   31.341   96.647   25.128   77.079   16.760 19.56789 30.20447 
1 1 1    0    7   35 o  191.595   14.340  466.442   68.111  413.611  106.852  502.599   88.397  177.264   24.819  197.940   18.083 -20.67595 30.70820 
1 1 1    0    7   36 o  202.449   18.501  526.865   92.500   0.0000   0.0000  526.865   92.500  ?   ?   202.449   18.501 0.000000 18.50143 
1 1 1    0    7   37 o  152.969   14.386  298.863   54.309  243.160   94.094  326.690   66.505  133.381   29.071  159.319   16.978 -25.93872 33.66523 
1 1 1    0    7   38 o  293.810   14.115  1094.95  103.560  1116.41  136.267  1065.60  159.335  294.437   18.629  285.642   22.520 8.794708 29.22687 
1 1 1    0    7   39 o  158.679   12.922  321.383   50.757  360.201   82.836  298.047   64.227  165.474   20.484  151.465   17.290 14.00934 26.80590 
1 1 1    0    7   40 o  124.537   31.114  222.691   96.484  222.691   96.484   0.0000   0.0000  124.537   31.114  ?   ?  0.000000 31.11406 
1 1 1    0    7   41 o   63.863   16.351   54.775   26.188   31.568   73.437   58.157   28.030   66.766   27.437   65.727   16.963 1.039047 32.25711 
1 1 1    0    7   42 o   56.455   16.465   42.517   24.645 -19.0257   76.764   49.589   26.022   57.222   25.719   60.646   16.668 -3.424168 30.64785 
1 1 1    0    7   43 o   76.164   16.393   78.777   30.256   37.285   81.353   85.438   32.594   68.812   28.632   79.192   16.990 -10.38054 33.29365 
1 1 1    0    7   44 o   81.591   16.434   90.661   32.327   62.244   91.327   94.731   34.564   75.601   30.777   83.151   17.213 -7.549431 35.26350 
1 1 1    0    7   45 o  106.525   16.629  153.986   42.790  170.112  163.275  152.797   44.340  100.128   41.001  105.718   17.401 -5.590279 44.54062 
1 1 1    0    7   46 o  131.700   15.721  233.915   50.680  191.342  110.293  245.310   57.060  104.019   35.444  133.766   17.502 -29.74631 39.52975 
1 1 1    0    7   47 o  175.202   16.075  417.510   69.544  357.110  128.027  442.792   82.829  139.514   36.374  177.708   18.958 -38.19385 41.01770 
1 1 1    0    8    0 o  125.638   8.0150  198.244   25.015  211.504   35.430  185.062   35.324  129.461   11.066  120.934   11.849 8.527344 16.21265 
1 1 1    0    8    1 o  177.649   7.8236  394.668   34.707  394.359   49.105  394.976   49.062  177.087   11.161  177.227   11.143 -0.1408234 15.77118 
1 1 1    0    8    2 o  158.056   7.5737  312.354   29.893  329.027   42.372  295.833   42.179  161.773   10.546  153.301   11.093 8.472504 15.30614 
1 1 1    0    8    3 o  228.676   8.7256  654.070   49.827  687.120   70.575  621.222   70.358  233.880   12.125  222.280   12.728 11.60033 17.57944 
1 1 1    0    8    4 o  138.530   10.990  241.765   37.708  232.321   53.323  251.212   53.330  135.066   16.128  140.633   15.440 -5.567093 22.32731 
1 1 1    0    8    5 o  264.681   10.059  876.755   66.486  864.583   94.056  888.910   93.994  262.124   14.425  265.828   14.211 -3.703796 20.24906 
1 1 1    0    8    6 o  265.916   9.9951  885.013   66.371  896.864   93.895  873.179   93.831  267.004   14.133  263.417   14.318 3.586060 20.11820 
1 1 1    0    8    7 o  112.780   7.4498  159.730   20.863  164.960   29.495  154.494   29.514  114.310   10.448  110.546   10.831 3.764206 15.04878 
1 1 1    0    8    8 o  154.817   7.9216  300.562   30.523  275.558   43.108  325.700   43.223  147.813   11.776  160.891   10.821 -13.07803 15.99310 
1 1 1    0    8    9 o  314.488   11.310  1239.58   88.825  1263.73  125.618  1215.43  125.616  316.556   15.942  310.370   16.264 6.185822 22.77437 
1 1 1    0    8   10 o  263.190   10.112  867.620   66.462  867.515   93.982  867.724   93.999  262.362   14.400  262.393   14.401 -0.3161621E-01 20.36513 
1 1 1    0    8   11 o  426.591   14.130  2286.09  150.528  2263.96  212.847  2308.23  212.912  423.196   20.141  427.363   19.950 -4.167023 28.34901 
1 1 1    0    8   12 o  175.608   7.5365  385.663   33.049  344.957   46.635  426.736   46.844  165.528   11.351  184.317   10.217 -18.78902 15.27192 
1 1 1    0    8   13 o  193.329   9.4589  467.697   45.665  538.453   79.285  432.572   55.862  206.489   15.489  185.405   12.132 21.08405 19.67472 
1 1 1    0    8   14 o  261.912   11.676  858.859   76.367  798.706  132.249  888.951   93.538  250.896   21.310  265.920   14.137 -15.02391 25.57248 
1 1 1    0    8   15 o  847.270   30.056  9098.37  635.931  9208.90  1101.73  9043.15  778.758  838.006   52.920  841.449   37.062 -3.442993 64.60678 
1 1 1    0    8   16 o  481.451   18.051  2908.00  217.028  2772.79  375.899  2975.61  265.805  466.578   32.465  486.473   21.880 -19.89456 39.14968 
1 1 1    0    8   17 o  318.794   23.244  1284.81  183.769   0.0000   0.0000  1284.81  183.769  ?   ?   318.794   23.244 0.000000 23.24414 
1 1 1    0    8   18 o  210.626   13.045  557.247   68.274  539.022   96.958  575.172   96.155  206.431   19.023  213.405   18.218 -6.974564 26.33920 
1 1 1    0    8   19 o  350.117   17.245  1536.34  150.777  1587.94  213.697  1485.20  212.767  354.478   24.288  342.632   25.041 11.84567 34.88440 
1 1 1    0    8   20 o  436.207   20.542  2388.83  223.761  2302.69  316.774  2474.62  316.119  425.944   29.973  441.899   28.804 -15.95523 41.56973 
1 1 1    0    8   21 o  196.641   13.088  486.067   63.902  409.169   91.186  560.278   89.579  179.320   20.746  210.714   17.173 -31.39304 26.93206 
1 1 1    0    8   22 o  761.713   48.703  7529.95  921.555  7529.95  921.555   0.0000   0.0000  761.713   48.703  ?   ?  0.000000 48.70327 
1 1 1    0    8   23 o  575.347   25.943  4180.83  372.740  4181.63  528.020  4180.04  526.252  570.835   37.246  570.776   37.123 0.5895996E-01 52.58681 
1 1 1    0    8   24 o  554.692   25.329  3891.44  350.849  3723.94  496.929  4057.92  495.427  537.469   37.254  561.959   35.486 -24.48993 51.45066 
1 1 1    0    8   25 o  200.594   12.917  506.472   64.358  519.608   93.575  494.680   88.656  202.312   18.735  197.452   18.185 4.859253 26.10878 
1 1 1    0    8   26 o   88.008   11.789   98.799   25.259  135.369   42.089   78.215   31.577  102.365   17.066   77.364   16.824 25.00033 23.96461 
1 1 1    0    8   27 o  416.458   18.922  2191.38  196.788  2456.12  281.005  1936.60  275.673  437.973   25.807  387.575   28.687 50.39865 38.58685 
1 1 1    0    8   28 o  307.287   22.961  1209.27  174.921   0.0000   0.0000  1209.27  174.921  ?   ?   307.287   22.961 0.000000 22.96122 
1 1 1    0    8   29 o  199.051   13.719  501.062   67.776  450.475   99.866  544.257   92.281  186.834   21.816  206.564   18.072 -19.73090 28.32855 
1 1 1    0    8   30 o  270.784   15.165  928.233  102.133  931.441  148.117  925.325  141.021  269.159   22.236  268.621   21.195 0.5377808 30.71900 
1 1 1    0    8   31 f  181.198   13.026  415.482   58.548  416.588   88.773  414.631   77.890  179.808   20.115  180.042   17.547 -0.2336426 26.69337 
1 1 1    0    8   32 o  282.948   23.298  1034.11  163.154  1034.11  163.154   0.0000   0.0000  282.948   23.298  ?   ?  0.000000 23.29794 
1 1 1    0    8   33 o  214.721   18.911  590.957  100.365   0.0000   0.0000  590.957  100.365  ?   ?   214.721   18.911 0.000000 18.91079 
1 1 1    0    8   34 o  182.235   22.001  431.385   98.096  431.385   98.096   0.0000   0.0000  182.235   22.001  ?   ?  0.000000 22.00130 
1 1 1    0    8   35 o  313.907   17.596  1256.15  137.378  1154.64  200.742  1345.56  188.408  296.599   27.413  322.343   23.570 -25.74368 36.15244 
1 1 1    0    8   36 o   87.381   14.387   98.990   30.302  126.104   69.225   92.564   33.702   96.891   27.392   83.974   16.660 12.91674 32.06021 
1 1 1    0    8   37 o  121.554   16.358  190.955   48.393   0.0000   0.0000  190.955   48.393  ?   ?   121.554   16.358 0.000000 16.35805 
1 1 1    0    8   38 o  258.549   17.076  856.506  109.630  682.012  166.322  990.560  145.781  224.364   30.474  276.227   21.298 -51.86339 37.17934 
1 1 1    0    8   39 o   69.628   15.493   64.167   26.244   87.371   66.162   59.835   28.589   82.313   27.454   67.087   17.034 15.22622 32.30940 
1 1 1    0    8   40 o  186.220   12.978  442.843   59.976  496.651   92.995  404.523   78.478  194.701   19.384  176.090   18.105 18.61121 26.52440 
1 1 1    0    8   41 o  111.620   14.466  162.199   39.374  152.061   79.181  165.529   45.382  103.058   29.352  112.032   16.734 -8.974014 33.78700 
1 1 1    0    8   42 o   96.452   33.266  134.197   97.230  134.197   97.230   0.0000   0.0000   96.452   33.266  ?   ?  0.000000 33.26607 
1 1 1    0    8   43 o  144.829   13.908  273.346   49.683  303.658   92.363  261.005   58.935  145.469   26.398  139.964   17.226 5.505035 31.52119 
1 1 1    0    8   44 o  146.585   14.764  282.770   53.309  256.631  100.013  293.143   63.005  128.738   31.392  147.851   17.398 -19.11287 35.89080 
1 1 1    0    8   45 o  192.894   14.829  490.462   70.882  492.870  118.109  489.107   88.615  183.378   26.566  189.516   18.980 -6.138031 32.64907 
1 1 1    0    8   46 o   47.081   16.108   27.946   22.779  138.369  162.600   25.735   23.006   93.848   39.848   45.928   16.162 47.91993 43.00105 
1 1 1    0    8   47 o   88.187   17.342  108.661   36.830   31.453  111.218  118.171   39.032   70.750   31.434   91.893   17.651 -21.14287 36.05102 
1 1 1    0    9    0 o  462.448   21.577  2711.37  249.180  2470.98  352.372  2951.82  352.416  436.172   32.587  478.474   29.641 -42.30280 44.05085 
1 1 1    0    9    1 o   44.315   7.5812   25.256   8.0880   27.164   11.532   23.408   11.346   45.663   10.352   42.404   10.712 3.258621 14.89665 
1 1 1    0    9    2 o  265.585   9.7830  883.283   64.883  900.219   91.832  866.402   91.684  267.381   13.801  262.258   14.051 5.123383 19.69451 
1 1 1    0    9    3 o  148.458   7.7744  276.430   28.721  274.074   40.703  278.767   40.534  147.472   11.135  148.753   10.990 -1.281052 15.64469 
1 1 1    0    9    4 o  190.269   8.3642  452.927   39.741  458.244   56.302  447.647   56.104  190.824   11.874  188.582   11.976 2.241425 16.86443 
1 1 1    0    9    5 o   97.756   10.440  121.041   25.090  110.360   35.563  131.628   35.404   92.381   15.995  101.383   14.388 -9.002335 21.51397 
1 1 1    0    9    6 o  189.315   12.257  451.317   57.635  413.884   81.541  488.689   81.475  180.273   18.370  196.330   16.780 -16.05777 24.87981 
1 1 1    0    9    7 o  342.177   11.803  1468.04  100.852  1477.31  142.658  1458.77  142.596  342.544   16.677  340.371   16.777 2.173126 23.65563 
1 1 1    0    9    8 o  291.811   15.153  1073.58  110.041   0.0000   0.0000  1073.58  110.041  ?   ?   291.811   15.153 0.000000 15.15299 
1 1 1    0    9    9 o  452.735   21.192  2595.42  239.594  2595.42  239.594   0.0000   0.0000  452.735   21.192  ?   ?  0.000000 21.19241 
1 1 1    0    9   10 o  120.313   7.4969  181.751   22.412  164.356   31.596  199.366   31.796  113.960   11.249  125.747   10.214 -11.78712 15.19460 
1 1 1    0    9   11 o  323.168   11.469  1309.04   92.555  1308.97  130.885  1309.11  130.900  322.119   16.325  322.136   16.326 -0.1675415E-01 23.08722 
1 1 1    0    9   12 o  597.279   18.790  4495.65  280.262  4435.59  396.271  4555.77  396.430  590.441   26.876  598.531   26.523 -8.090515 37.75993 
1 1 1    0    9   13 o  211.420   9.0169  559.118   47.605  567.764   67.324  550.471   67.324  212.477   12.747  209.180   12.952 3.298080 18.17271 
1 1 1    0    9   14 o  374.231   12.743  1753.95  119.091  1819.39  168.480  1688.60  168.360  380.610   17.726  366.126   18.474 14.48392 25.60295 
1 1 1    0    9   15 o  109.445   8.7575  150.699   23.734  155.060   41.272  148.543   29.011  110.173   15.424  108.432   10.860 1.741318 18.86396 
1 1 1    0    9   16 f  482.404   18.062  2919.23  217.590  2765.86  376.752  2995.99  266.536  466.040   32.578  488.177   21.864 -22.13681 39.23451 
1 1 1    0    9   17 o  735.722   26.116  6819.88  479.806  6979.47  831.476  6740.21  587.490  736.306   45.443  729.692   32.241 6.613831 55.71866 
1 1 1    0    9   18 o  154.564   16.655  302.793   63.270   0.0000   0.0000  302.793   63.270  ?   ?   154.564   16.655 0.000000 16.65517 
1 1 1    0    9   19 o  670.452   23.058  5650.62  386.052  6284.83  670.096  5335.55  472.310  701.913   38.375  650.197   29.089 51.71625 48.15435 
1 1 1    0    9   20 o  526.963   19.490  3484.45  256.472  3460.81  444.695  3496.23  313.947  521.387   34.347  527.205   23.847 -5.818359 41.81370 
1 1 1    0    9   21 o  289.656   15.461  1054.00  111.429  1035.65  158.241  1072.04  156.936  286.169   22.320  291.276   21.732 -5.106995 31.15247 
1 1 1    0    9   22 o  585.487   26.314  4324.81  384.736  3983.60  544.127  4665.94  544.070  557.076   39.368  604.338   36.219 -47.26141 53.49399 
1 1 1    0    9   23 o  507.852   33.597  3295.94  423.664  3295.94  423.664   0.0000   0.0000  507.852   33.597  ?   ?  0.000000 33.59653 
1 1 1    0    9   24 o  988.107   42.844 12639.29  1057.17 11159.12  1493.21 14126.80  1496.92  904.219   66.599  1027.59   58.577 -123.3723 88.69434 
1 1 1    0    9   25 o  193.714   12.817  472.385   61.650  475.359   89.543  469.704   85.007  193.431   18.774  192.419   17.896 1.011627 25.93727 
1 1 1    0    9   26 o  231.475   13.249  674.425   76.264  752.432  110.616  603.749  105.289  243.685   18.312  217.895   19.559 25.79007 26.79270 
1 1 1    0    9   27 o  276.427   14.150  962.790   97.352  1121.54  140.765  817.245  134.782  297.357   19.057  253.052   21.534 44.30527 28.75545 
1 1 1    0    9   28 o  240.057   13.927  727.201   83.127  757.953  120.700  699.453  114.652  243.758   20.005  234.153   19.793 9.605270 28.14218 
1 1 1    0    9   29 o  353.380   25.408  1609.70  222.714   0.0000   0.0000  1609.70  222.714  ?   ?   353.380   25.408 0.000000 25.40760 
1 1 1    0    9   30 o  557.584   26.323  4006.70  366.524  3626.21  519.809  4382.93  516.890  518.341   40.480  574.313   36.227 -55.97235 54.32294 
1 1 1    0    9   31 f  592.172   27.307  4538.56  403.808  4538.87  573.687  4538.26  568.490  579.686   39.873  580.074   39.480 -0.3875122 56.11206 
1 1 1    0    9   32 o  124.886   11.652  197.757   35.919  293.394   62.639  150.904   43.843  151.298   16.866  107.934   16.814 43.36357 23.81561 
1 1 1    0    9   33 o  164.391   12.372  342.034   50.418  419.560   82.049  295.001   63.906  180.806   18.430  151.605   17.184 29.20093 25.19817 
1 1 1    0    9   34 o  397.685   29.161  2075.71  287.573  2075.71  287.573   0.0000   0.0000  397.685   29.161  ?   ?  0.000000 29.16060 
1 1 1    0    9   35 o  200.921   14.039  512.095   69.996  503.505  109.303  518.066   91.133  196.778   22.657  200.989   18.360 -4.210983 29.16252 
1 1 1    0    9   36 o  195.620   14.680  486.595   71.187  417.896  112.360  532.662   92.009  177.699   26.098  203.742   18.279 -26.04301 31.86289 
1 1 1    0    9   37 o  200.606   14.377  511.685   71.546  513.890  116.712  510.358   90.556  197.892   24.116  199.209   18.412 -1.316772 30.34137 
1 1 1    0    9   38 o  287.268   16.852  1054.95  120.359  1015.61  182.881  1085.01  159.860  277.010   26.771  288.838   22.337 -11.82788 34.86598 
1 1 1    0    9   39 o  137.480   15.102  243.254   50.993  356.106  149.148  228.316   54.263  156.582   38.430  132.686   16.750 23.89607 41.92152 
1 1 1    0    9   40 o  235.678   13.029  707.519   76.382  793.488  109.452  625.905  106.644  247.546   17.825  218.824   19.728 28.72153 26.58821 
1 1 1    0    9   41 o  115.167   14.523  172.324   40.838  140.612   80.281  183.395   47.433   99.595   29.891  118.215   16.519 -18.61911 34.15215 
1 1 1    0    9   42 o   57.996   16.002   44.948   23.931   66.769   76.734   42.597   25.187   76.207   29.051   56.690   16.678 19.51663 33.49749 
1 1 1    0    9   43 o   91.093   33.737  115.521  101.874  115.521  101.874   0.0000   0.0000   91.093   33.737  ?   ?  0.000000 33.73733 
1 1 1    0    9   44 o  113.974   14.894  171.734   41.377  175.785   91.665  170.698   46.370  106.425   31.940  112.712   17.003 -6.286804 36.18416 
1 1 1    0    9   45 o   61.962   16.558   52.591   26.109   86.862   92.714   49.639   27.210   81.230   31.675   60.259   17.222 20.97110 36.05431 
1 1 1    0    9   46 o  122.374   16.610  202.542   49.448   55.006  106.304  243.279   55.859   75.690   32.181  133.992   17.083 -58.30220 36.43423 
1 1 1    0    9   47 o  127.058   16.739  220.307   51.818  194.273  180.027  222.659   54.108  100.163   42.195  127.269   17.487 -27.10625 45.67555 
1 1 1    0   10    0 o  270.780   10.382  918.650   70.205  864.171   99.264  973.175   99.305  261.672   15.257  277.901   14.359 -16.22867 20.95113 
1 1 1    0   10    1 o   92.043   9.8099  107.309   22.200  132.518   32.637   85.600   30.287  101.904   13.131   81.150   15.511 20.75384 20.32279 
1 1 1    0   10    2 o  181.403   8.3220  411.824   37.699  347.452   53.334  476.099   53.293  165.851   12.981  194.570   11.014 -28.71936 17.02390 
1 1 1    0   10    3 o  354.799   11.991  1579.26  106.238  1626.32  150.384  1532.38  150.103  359.233   16.764  348.611   17.242 10.62250 24.04844 
1 1 1    0   10    4 o  515.731   16.359  3350.21  210.682  3403.81  298.076  3296.70  297.822  517.617   23.060  509.271   23.418 8.345856 32.86650 
1 1 1    0   10    5 o  670.573   20.918  5694.65  350.280  5689.06  495.446  5700.23  495.295  665.431   29.816  666.109   29.776 -0.6772461 42.13771 
1 1 1    0   10    6 o  418.423   13.833  2199.59  144.541  2149.12  204.437  2250.03  204.386  412.247   19.859  421.937   19.398 -9.689667 27.76051 
1 1 1    0   10    7 o  359.445   25.486  1654.73  227.275   0.0000   0.0000  1654.73  227.275  ?   ?   359.445   25.486 0.000000 25.48556 
1 1 1    0   10    8 o  583.799   38.662  4475.09  560.442  4475.09  560.442   0.0000   0.0000  583.799   38.662  ?   ?  0.000000 38.66178 
1 1 1    0   10    9 o  406.651   13.520  2076.44  137.293  2017.14  194.053  2135.87  194.272  399.601   19.447  411.322   18.914 -11.72134 27.12741 
1 1 1    0   10   10 o  294.476   10.787  1086.44   79.322  1067.01  112.104  1105.91  112.252  290.902   15.488  296.220   15.226 -5.317841 21.71913 
1 1 1    0   10   11 o  366.459   12.596  1683.88  115.266  1702.35  162.993  1665.40  163.029  367.698   17.751  363.651   17.953 4.047058 25.24682 
1 1 1    0   10   12 o  608.207   19.129  4658.30  290.528  4666.01  410.850  4650.58  410.888  606.107   27.145  605.086   27.193 1.021118 38.42238 
1 1 1    0   10   13 o  246.967   9.7556  763.010   60.165  783.629   85.095  742.399   85.077  249.678   13.701  242.954   14.083 6.724152 19.64797 
1 1 1    0   10   14 o  467.312   14.972  2737.18  174.713  2647.45  246.954  2827.10  247.209  458.644   21.562  474.067   20.882 -15.42242 30.01636 
1 1 1    0   10   15 o  288.843   10.674  1043.51   76.993  1025.18  108.819  1061.87  108.949  285.629   15.312  290.739   15.058 -5.110138 21.47555 
1 1 1    0   10   16 o  716.595   25.662  6470.66  459.216  6515.37  795.600  6448.33  562.347  711.050   45.039  713.693   31.553 -2.642822 54.99229 
1 1 1    0   10   17 o  605.844   21.990  4612.23  332.680  4600.77  576.315  4617.96  407.415  599.945   38.674  605.254   26.956 -5.309204 47.14091 
1 1 1    0   10   18 o  670.535   23.814  5654.83  398.748  6195.44  691.843  5385.92  487.944  696.219   39.961  653.031   29.922 43.18890 49.92163 
1 1 1    0   10   19 o  634.432   40.653  5152.11  640.670   0.0000   0.0000  5152.11  640.670  ?   ?   634.432   40.653 0.000000 40.65269 
1 1 1    0   10   20 o  900.197   31.833 10253.69  715.593  9775.96  1239.04 10492.79  876.563  864.315   57.739  907.781   38.668 -43.46582 69.49079 
1 1 1    0   10   21 o  440.578   16.605  2432.97  182.686  1950.49  316.180  2674.76  223.829  391.027   32.680  461.626   19.417 -70.59863 38.01266 
1 1 1    0   10   22 o  598.113   21.702  4498.83  324.136  3886.59  561.110  4805.46  397.094  549.423   41.197  617.258   25.762 -67.83551 48.58854 
1 1 1    0   10   23 o  434.628   16.095  2369.19  174.686  2706.64  304.347  2203.41  213.325  462.061   26.487  418.578   20.409 43.48279 33.43772 
1 1 1    0   10   24 o  505.359   18.894  3211.72  238.441  2749.19  413.179  3442.67  291.963  461.902   36.108  522.461   22.378 -60.55896 42.48032 
1 1 1    0   10   25 o  229.498   19.972  668.684  113.316  668.684  113.316   0.0000   0.0000  229.498   19.972  ?   ?  0.000000 19.97153 
1 1 1    0   10   26 o  385.844   18.560  1876.56  178.827  1949.83  254.444  1805.03  251.384  390.644   26.235  375.544   26.985 15.09921 37.63662 
1 1 1    0   10   27 o   71.894   12.770   66.795   22.086   87.044   37.880   56.366   27.185   81.416   18.981   65.635   16.580 15.78062 25.20319 
1 1 1    0   10   28 o  320.903   15.538  1297.44  124.515  1484.94  179.072  1121.93  173.254  341.396   21.108  295.782   23.654 45.61368 31.70305 
1 1 1    0   10   29 o  201.826   12.673  514.025   63.548  573.839   93.910  463.499   86.312  212.227   17.887  190.471   18.374 21.75621 25.64272 
1 1 1    0   10   30 o  516.053   35.068  3526.18  449.231   0.0000   0.0000  3526.18  449.231  ?   ?   516.053   35.068 0.000000 35.06785 
1 1 1    0   10   31 o  346.551   18.140  1527.43  156.436  1441.48  224.279  1608.87  218.309  332.851   27.221  352.875   24.935 -20.02313 36.91521 
1 1 1    0   10   32 o  285.931   22.049  1051.64  156.219   0.0000   0.0000  1051.64  156.219  ?   ?   285.931   22.049 0.000000 22.04895 
1 1 1    0   10   33 o  204.261   21.238  538.538  106.746  538.538  106.746   0.0000   0.0000  204.261   21.238  ?   ?  0.000000 21.23800 
1 1 1    0   10   34 o  213.012   15.036  576.186   79.470  461.027  119.106  668.589  106.691  187.115   26.209  228.487   18.868 -41.37187 32.29425 
1 1 1    0   10   35 o  335.935   26.238  1471.19  218.363  1471.19  218.363   0.0000   0.0000  335.935   26.238  ?   ?  0.000000 26.23811 
1 1 1    0   10   36 o  245.318   15.533  765.015   94.666  705.661  143.275  811.003  126.115  232.256   25.103  251.070   20.288 -18.81436 32.27628 
1 1 1    0   10   37 o  309.893   17.308  1225.30  133.403  1181.03  197.733  1262.30  180.733  299.864   26.685  311.840   23.379 -11.97589 35.47767 
1 1 1    0   10   38 o  133.365   14.607  227.955   47.850  170.560   91.477  249.574   56.143  111.372   31.489  139.148   16.477 -27.77592 35.53939 
1 1 1    0   10   39 o  250.512   16.231  803.409  100.989  730.119  157.310  854.790  131.715  233.457   27.512  256.465   20.744 -23.00847 34.45584 
1 1 1    0   10   40 o   97.859   14.832  124.678   35.108  464.576  141.591  102.411   36.240  181.921   32.353   87.923   17.122 93.99806 36.60430 
1 1 1    0   10   41 f   50.906   15.539   33.472   21.561   44.214   71.084   32.383   22.627   69.765   27.574   50.472   15.999 19.29247 31.87980 
1 1 1    0   10   42 o  124.941   14.348  202.878   43.953  180.481   84.687  211.136   51.421  111.456   29.836  126.650   16.663 -15.19458 34.17376 
1 1 1    0   10   43 o  212.465   16.046  590.494   84.507  411.413  120.245  765.265  118.789  168.141   29.725  239.048   20.086 -70.90726 35.87526 
1 1 1    0   10   44 o  164.285   34.273  419.927  136.054  419.927  136.054   0.0000   0.0000  164.285   34.273  ?   ?  0.000000 34.27253 
1 1 1    0   10   45 o  194.671   15.477  499.671   74.617  409.610  118.425  558.964   96.089  164.987   29.842  203.172   19.166 -38.18503 35.46655 
1 1 1    0   10   46 o  200.908   16.321  538.485   81.175  393.642  127.355  637.594  105.347  156.322   33.623  215.565   19.791 -59.24300 39.01534 
1 1 1    0   10   47 o  101.932   16.535  141.982   40.647   87.307  111.001  150.448   43.681   81.287   33.602  104.560   17.337 -23.27322 37.81076 
1 1 1    0   10   48 o  160.262   17.019  352.258   67.068  181.805  128.908  415.522   78.534   97.849   37.569  172.825   18.484 -74.97624 41.86998 
1 1 1    0   11    0 o   76.690   7.7065   74.286   14.559   78.516   20.725   70.164   20.456   78.439   10.873   73.979   11.442 4.459892 15.78454 
1 1 1    0   11    1 o  189.392   8.7925  448.846   41.584  439.792   58.885  457.852   58.731  186.824   12.697  190.678   12.402 -3.853714 17.74897 
1 1 1    0   11    2 o  391.160   13.180  1920.40  128.741  1937.25  182.139  1903.58  181.996  391.861   18.613  388.408   18.764 3.452759 26.42976 
1 1 1    0   11    3 o  283.781   14.458  1014.62  102.116  1142.92  145.113  888.765  143.724  300.180   19.464  263.944   22.006 36.23550 29.37857 
1 1 1    0   11    4 o  301.052   10.928  1135.89   82.151  1143.93  116.288  1127.88  116.071  301.152   15.516  299.009   15.599 2.142395 22.00168 
1 1 1    0   11    5 o  148.331   7.9451  276.048   29.322  278.149   41.688  273.990   41.252  148.528   11.325  147.411   11.292 1.116592 15.99275 
1 1 1    0   11    6 o  211.503   9.0790  559.980   47.952  530.009   67.934  589.741   67.695  205.033   13.341  216.435   12.579 -11.40128 18.33619 
1 1 1    0   11    7 o  331.183   11.597  1375.14   95.908  1361.97  135.745  1388.26  135.525  328.478   16.603  332.088   16.342 -3.609833 23.29641 
1 1 1    0   11    8 o  239.502   9.5429  718.142   57.074  668.631   80.683  767.733   80.748  230.309   14.097  246.992   13.139 -16.68307 19.27041 
1 1 1    0   11    9 o  211.665   12.911  564.062   67.918  570.609   96.114  557.532   95.988  212.014   18.334  209.514   18.538 2.500519 26.07305 
1 1 1    0   11   10 o  174.865   11.931  384.955   51.789  356.218   73.164  413.814   73.319  167.306   17.785  180.693   16.428 -13.38757 24.21127 
1 1 1    0   11   11 o  292.778   10.721  1073.13   78.381  1077.10  110.800  1069.15  110.896  292.536   15.220  291.441   15.291 1.094971 21.57443 
1 1 1    0   11   12 o  151.067   8.0596  286.131   30.294  259.216   42.688  313.440   42.999  143.373   12.034  157.868   10.975 -14.49535 16.28756 
1 1 1    0   11   13 o  635.588   19.779  5079.01  313.935  4975.99  443.803  5182.19  444.138  626.832   28.352  639.862   27.796 -13.03046 39.70476 
1 1 1    0   11   14 o  393.541   13.290  1939.19  130.604  1991.11  184.740  1887.31  184.662  398.242   18.577  387.665   19.075 10.57715 26.62621 
1 1 1    0   11   15 o  321.171   11.414  1290.38   91.540  1236.47  129.361  1344.45  129.553  313.628   16.576  327.543   15.839 -13.91498 22.92686 
1 1 1    0   11   16 f  332.507   11.788  1383.08   97.880  1402.39  138.407  1363.77  138.439  334.511   16.569  329.421   16.886 5.089447 23.65711 
1 1 1    0   11   17 o  671.859   24.156  5679.42  405.278  5558.44  701.853  5739.93  496.400  657.967   42.952  674.170   29.486 -16.20349 52.09855 
1 1 1    0   11   18 o  462.012   16.559  2674.64  191.044  2948.92  331.590  2538.35  233.737  482.840   27.616  449.626   20.817 33.21411 34.58298 
1 1 1    0   11   19 o  859.370   54.587  9613.14  1165.35   0.0000   0.0000  9613.14  1165.35  ?   ?   859.370   54.587 0.000000 54.58658 
1 1 1    0   11   20 o  298.187   22.320  1123.77  164.994   0.0000   0.0000  1123.77  164.994  ?   ?   298.187   22.320 0.000000 22.31983 
1 1 1    0   11   21 o  480.724   17.753  2898.43  213.117  3031.62  369.944  2832.27  260.728  488.610   30.471  474.637   21.998 13.97314 37.58193 
1 1 1    0   11   22 o  782.030   27.873  7728.81  544.320  7250.69  942.550  7968.06  666.739  745.541   50.932  791.842   33.718 -46.30103 61.08171 
1 1 1    0   11   23 o  699.855   24.426  6180.33  426.891  6798.18  741.190  5873.64  522.202  726.047   41.048  680.190   30.744 45.85657 51.28502 
1 1 1    0   11   24 o  395.903   15.583  1966.82  154.059  1902.77  267.940  1998.45  188.296  386.318   27.963  398.605   18.917 -12.28683 33.76074 
1 1 1    0   11   25 o  459.514   17.571  2655.91  201.630  2259.80  349.705  2853.17  246.779  418.517   33.748  475.578   20.780 -57.06110 39.63209 
1 1 1    0   11   26 o  161.686   11.697  329.350   46.908  389.450   69.366  278.709   63.674  175.267   16.026  147.750   17.604 27.51750 23.80644 
1 1 1    0   11   27 o  290.467   12.057  1058.45   87.458  1257.56  154.640  964.812  106.048  314.762   19.774  276.487   15.421 38.27518 25.07644 
1 1 1    0   11   28 o  344.998   13.367  1496.09  115.156  1844.07  203.080  1331.17  139.805  380.456   21.463  324.247   17.329 56.20908 27.58530 
1 1 1    0   11   29 o   85.238   12.014   93.034   24.862  142.642   42.952   68.038   30.489  104.965   16.965   71.952   17.202 33.01306 24.16051 
1 1 1    0   11   30 o  528.128   25.118  3583.06  331.271  3115.16  469.611  4046.51  467.372  481.421   39.408  553.995   33.947 -72.57437 52.01364 
1 1 1    0   11   31 o  128.665   16.207  212.486   50.917   0.0000   0.0000  212.486   50.917  ?   ?   128.665   16.207 0.000000 16.20678 
1 1 1    0   11   32 o  421.911   20.067  2267.67  211.425  2353.84  302.860  2185.76  295.284  424.600   28.733  408.865   29.111 15.73572 40.90236 
1 1 1    0   11   33 o  185.965   12.798  437.488   59.072  490.037   91.334  399.700   77.452  195.425   18.954  176.618   17.804 18.80702 26.00414 
1 1 1    0   11   34 o  192.162   15.108  469.446   71.912  307.764  107.940  598.482   96.429  151.169   29.653  216.359   18.011 -65.19022 34.69471 
1 1 1    0   11   35 o  368.278   19.842  1735.06  181.808  1505.78  261.508  1949.56  252.936  336.939   31.443  386.987   26.330 -50.04779 41.01183 
1 1 1    0   11   36 o  234.068   22.916  711.027  132.226  711.027  132.226   0.0000   0.0000  234.068   22.916  ?   ?  0.000000 22.91550 
1 1 1    0   11   37 o  224.484   15.425  641.344   85.943  551.930  132.339  706.558  113.019  204.353   26.561  234.391   19.486 -30.03896 32.94223 
1 1 1    0   11   38 o  384.621   17.820  1887.13  171.153  2189.01  253.059  1632.62  232.358  409.497   24.865  352.331   26.605 57.16635 36.41560 
1 1 1    0   11   39 o  183.893   15.186  432.606   69.111  341.804  116.168  482.351   85.983  157.557   30.629  193.335   18.017 -35.77800 35.53474 
1 1 1    0   11   40 o  199.122   14.090  506.580   69.611  609.803  122.179  456.969   84.703  214.644   23.161  187.593   18.315 27.05139 29.52772 
1 1 1    0   11   41 o  218.139   16.969  616.508   91.710  542.716  178.955  642.792  106.801  190.811   38.877  221.499   19.508 -30.68773 43.49658 
1 1 1    0   11   42 o  275.076   13.987  971.731   95.765  1052.43  132.926  884.646  138.086  283.105   18.911  257.485   21.677 25.61972 28.76701 
1 1 1    0   11   43 o  190.778   14.575  472.180   68.913  404.827  105.143  522.903   91.244  170.194   25.526  198.531   18.622 -28.33723 31.59720 
1 1 1    0   11   44 o  131.353   14.136  225.547   45.639  268.350   93.476  212.150   52.296  135.040   28.609  126.094   17.045 8.945396 33.30195 
1 1 1    0   11   45 o  170.713   16.810  387.808   70.732  170.488  112.443  530.111   90.989  103.196   35.764  198.512   18.571 -95.31628 40.29767 
1 1 1    0   11   46 o   75.601   33.274   31.352  121.796   31.352  121.796   0.0000   0.0000   75.601   33.274  ?   ?  0.000000 33.27429 
1 1 1    0   11   47 o   54.262   16.358   39.961   24.004  223.989  107.761   30.353   24.622  114.425   34.697   48.922   16.747 65.50278 38.52672 
1 1 1    0   11   48 o  178.012   15.919  427.847   70.018  379.960  129.672  447.555   83.188  146.933   35.694  179.466   18.843 -32.53310 40.36244 
1 1 1    0   12    0 o  519.722   16.590  3391.16  215.314  3368.51  304.528  3413.79  304.471  516.535   23.609  520.035   23.446 -3.499756 33.27283 
1 1 1    0   12    1 o  372.431   12.433  1737.70  115.627  1798.07  163.696  1677.59  163.347  378.245   17.331  365.273   17.908 12.97177 24.92073 
1 1 1    0   12    2 o  152.469   8.0397  291.503   30.502  285.230   43.285  297.692   42.991  150.461   11.610  153.770   11.274 -3.309799 16.18338 
1 1 1    0   12    3 o  216.071   8.8217  584.057   47.599  589.117   67.473  579.044   67.159  216.433   12.538  214.562   12.589 1.871338 17.76756 
1 1 1    0   12    4 o  394.537   15.085  1954.96  148.623  2069.08  182.313  1728.88  256.615  405.386   18.009  367.350   28.189 38.03558 33.45066 
1 1 1    0   12    5 o  166.134   10.941  347.191   45.137  407.740   64.707  289.807   62.993  179.630   14.550  150.840   17.021 28.78954 22.39258 
1 1 1    0   12    6 o  156.132   11.453  307.044   44.342   0.0000   0.0000  307.044   44.342  ?   ?   156.132   11.453 0.000000 11.45283 
1 1 1    0   12    7 o  244.963   13.326  754.871   81.214  754.871   81.214   0.0000   0.0000  244.963   13.326  ?   ?  0.000000 13.32646 
1 1 1    0   12    8 o   76.603   7.6013   74.092   14.349   57.659   20.507   89.854   20.084   66.717   12.774   84.176   9.7341 -17.45907 16.06019 
1 1 1    0   12    9 o  408.872   13.665  2096.36  139.524  2102.48  197.363  2090.24  197.271  408.589   19.343  407.390   19.391 1.199097 27.38931 
1 1 1    0   12   10 o  343.432   12.019  1477.21  103.073  1434.61  145.719  1519.86  145.817  337.444   17.351  347.845   16.787 -10.40128 24.14275 
1 1 1    0   12   11 o  479.688   22.097  2900.25  264.690  2788.62  374.136  3012.11  374.521  466.841   32.291  485.707   31.040 -18.86563 44.79103 
1 1 1    0   12   12 o  489.427   22.508  3017.57  275.094  3055.20  389.040  2979.94  389.045  489.272   32.018  483.044   32.441 6.228149 45.58014 
1 1 1    0   12   13 f  265.475   10.199  881.450   67.615  907.354   95.561  855.479   95.683  268.754   14.290  260.884   14.748 7.870148 20.53538 
1 1 1    0   12   14 o  252.813   9.8130  799.183   61.952  760.505   87.466  838.122   87.761  246.009   14.299  258.367   13.651 -12.35858 19.76901 
1 1 1    0   12   15 o  634.405   19.403  5051.86  307.390  4821.13  434.390  5283.29  435.039  617.950   28.150  647.197   26.918 -29.24689 38.94854 
1 1 1    0   12   16 o  416.113   13.539  2167.28  140.682  2115.75  198.849  2218.92  199.061  410.604   19.393  420.544   18.955 -9.939484 27.11808 
1 1 1    0   12   17 f  202.618   8.9334  513.134   45.201  500.429   63.829  525.914   64.018  199.568   12.877  204.635   12.589 -5.066742 18.00787 
1 1 1    0   12   18 o  220.288   10.082  606.709   55.464  741.617   96.693  540.555   67.711  242.780   16.039  207.422   13.140 35.35757 20.73459 
1 1 1    0   12   19 o  245.308   11.435  752.662   70.048  632.455  121.452  812.579   85.746  223.272   22.072  254.438   13.544 -31.16595 25.89631 
1 1 1    0   12   20 o  344.131   24.603  1498.45  210.031   0.0000   0.0000  1498.45  210.031  ?   ?   344.131   24.603 0.000000 24.60262 
1 1 1    0   12   21 o  407.881   27.906  2110.55  282.527   0.0000   0.0000  2110.55  282.527  ?   ?   407.881   27.906 0.000000 27.90572 
1 1 1    0   12   22 o  691.331   24.740  6026.66  427.109  5370.33  739.162  6355.64  523.316  643.252   46.326  708.457   29.580 -65.20532 54.96441 
1 1 1    0   12   23 o  328.848   13.732  1354.94  112.765  1115.22  195.863  1473.79  137.915  295.743   26.812  342.745   16.114 -47.00146 31.28164 
1 1 1    0   12   24 f  501.025   17.687  3155.09  221.292  3632.43  385.276  2920.09  270.332  533.881   29.007  481.025   22.505 52.85626 36.71386 
1 1 1    0   12   25 o  382.357   15.330  1835.94  146.370  1579.74  254.339  1962.80  178.978  350.878   29.295  394.893   18.150 -44.01492 34.46191 
1 1 1    0   12   26 o  245.225   10.782  753.334   66.029  928.427  117.388  672.297   79.860  270.967   17.441  230.996   13.909 39.97137 22.30810 
1 1 1    0   12   27 o  417.507   17.980  2199.76  187.454  2711.78  267.839  1708.16  262.442  461.334   23.325  363.724   29.139 97.60983 37.32454 
1 1 1    0   12   28 o  149.451   9.6058  280.998   35.660  314.680   66.715  267.527   42.192  156.946   17.311  145.536   11.709 11.40935 20.89842 
1 1 1    0   12   29 o  332.642   13.681  1392.52  113.644  1461.38  199.917  1359.64  138.133  337.281   23.891  327.584   16.944 9.697083 29.28909 
1 1 1    0   12   30 o  493.839   18.835  3094.47  232.278  2368.74  403.289  3454.72  284.140  419.835   38.909  520.349   21.867 -100.5139 44.63275 
1 1 1    0   12   31 o  160.161   11.579  323.998   45.998   0.0000   0.0000  323.998   45.998  ?   ?   160.161   11.579 0.000000 11.57888 
1 1 1    0   12   32 f  273.897   22.890  967.442  155.127  967.442  155.127   0.0000   0.0000  273.897   22.890  ?   ?  0.000000 22.89018 
1 1 1    0   12   33 o  189.054   17.900  457.507   83.501   0.0000   0.0000  457.507   83.501  ?   ?   189.054   17.900 0.000000 17.90024 
1 1 1    0   12   34 o  553.198   26.515  3963.86  366.288  3616.98  520.599  4303.93  515.457  514.693   40.840  566.311   36.646 -51.61768 54.87077 
1 1 1    0   12   35 o  402.151   19.843  2063.05  199.277  2060.29  287.018  2065.62  276.896  396.084   29.225  397.340   28.087 -1.256165 40.53368 
1 1 1    0   12   36 o   80.101   14.899   83.658   28.705   77.744   65.083   85.087   31.984   79.834   27.227   80.508   16.465 -0.6735077 31.81823 
1 1 1    0   12   37 o  131.195   26.087  230.865   82.456  230.865   82.456   0.0000   0.0000  131.195   26.087  ?   ?  0.000000 26.08673 
1 1 1    0   12   38 o  235.723   14.355  705.851   84.095  802.565  132.676  640.903  108.724  248.837   21.565  222.866   19.740 25.97141 29.23534 
1 1 1    0   12   39 o   95.701   14.860  118.876   34.362  111.018   81.118  120.595   37.934   92.201   30.382   96.032   16.408 -3.830635 34.52971 
1 1 1    0   12   40 o  249.550   14.129  793.961   87.687  1036.15  144.057  651.412  110.521  282.055   20.595  223.613   20.004 58.44237 28.71062 
1 1 1    0   12   41 o  287.043   18.062  1068.63  128.808  897.191  195.235  1200.77  171.405  253.529   31.518  300.940   22.982 -47.41043 39.00688 
1 1 1    0   12   42 o  168.671   13.387  365.524   55.921  410.192   94.210  341.223   69.487  174.735   22.084  161.318   17.531 13.41675 28.19659 
1 1 1    0   12   43 o  107.570   14.347  151.372   37.578  181.005   84.400  144.046   41.967  111.036   29.812  104.070   16.714 6.965279 34.17738 
1 1 1    0   12   44 f  116.641   14.567  178.627   41.506  182.768   89.625  177.496   46.831  109.839   31.208  115.390   16.741 -5.550652 35.41462 
1 1 1    0   12   45 o  130.087   14.976  223.137   47.761  177.848   95.584  238.207   55.137  106.617   32.747  133.520   16.916 -26.90363 36.85819 
1 1 1    0   12   46 o  110.809   14.321  162.452   38.701  303.934  100.321  137.715   41.948  141.609   29.334  100.606   17.322 41.00347 34.06653 
1 1 1    0   12   47 o   95.432   37.933  148.306  135.231  148.306  135.231   0.0000   0.0000   95.432   37.933  ?   ?  0.000000 37.93312 
1 1 1    0   12   48 o  105.427   15.745  151.018   40.182  212.357  115.845  142.629   42.841  108.136   36.328  101.450   17.546 6.686867 40.34309 
1 1 1    0   13    0 o  243.505   13.842  745.168   83.826  733.461  117.588  757.264  119.530  240.775   19.730  244.676   19.731 -3.900345 27.90316 
1 1 1    0   13    1 o  187.270   9.0710  438.525   42.420  435.989   60.160  441.034   59.824  186.131   13.025  187.227   12.874 -1.095398 18.31357 
1 1 1    0   13    2 o  199.533   8.7490  497.812   43.594  483.705   61.830  511.757   61.474  196.126   12.692  201.802   12.257 -5.676270 17.64441 
1 1 1    0   13    3 o  116.312   7.2191  169.735   20.864  169.052   29.866  170.387   29.160  115.768   10.443  116.261   10.146 -0.4931335 14.56002 
1 1 1    0   13    4 o   90.307   7.5076  102.643   16.777  100.962   24.184  104.203   23.294   89.128   11.107   90.654   10.483 -1.525757 15.27263 
1 1 1    0   13    5 o   75.463   10.077   72.510   18.515   0.0000   0.0000   72.510   18.515  ?   ?    75.463   10.077 0.000000 10.07664 
1 1 1    0   13    6 o  170.332   17.172  368.081   72.046  368.081   72.046   0.0000   0.0000  170.332   17.172  ?   ?  0.000000 17.17236 
1 1 1    0   13    7 o  379.287   12.817  1802.20  121.393  1728.75  171.758  1875.52  171.592  370.334   18.632  386.330   17.786 -15.99594 25.75881 
1 1 1    0   13    8 o  294.975   10.726  1088.87   79.007  1096.80  111.902  1080.99  111.565  295.321   15.226  293.171   15.292 2.150085 21.57928 
1 1 1    0   13    9 o  356.344   12.302  1590.01  109.468  1626.03  154.950  1554.12  154.672  359.863   17.243  351.330   17.686 8.533630 24.70056 
1 1 1    0   13   10 o  318.160   11.434  1266.85   90.846  1240.28  128.501  1293.40  128.452  313.991   16.446  321.115   16.019 -7.124268 22.95773 
1 1 1    0   13   11 o  518.397   16.556  3370.94  214.318  3406.90  303.136  3334.99  303.046  519.972   23.346  514.406   23.591 5.566589 33.18995 
1 1 1    0   13   12 o  114.663   7.6641  165.046   21.818  142.634   30.601  188.221   31.117  106.120   11.744  122.245   10.289 -16.12521 15.61402 
1 1 1    0   13   13 o  426.436   20.084  2284.30  213.876  2256.46  302.311  2312.19  302.621  421.523   28.894  426.801   28.559 -5.278320 40.62597 
1 1 1    0   13   14 o  648.376   28.732  5311.10  465.207  5149.76  657.504  5472.83  658.301  633.051   41.828  653.231   40.556 -20.18030 58.26120 
1 1 1    0   13   15 o  820.782   25.068  8484.36  513.807  8346.27  726.414  8622.62  726.853  810.431   35.894  823.965   35.325 -13.53351 50.36108 
1 1 1    0   13   16 o  236.918   9.6061  701.705   56.832  768.546   80.441  635.088   80.305  247.472   13.063  224.763   14.383 22.70927 19.42972 
1 1 1    0   13   17 o  190.954   8.6900  455.735   41.438  539.124   58.678  372.776   58.526  207.305   11.378  172.027   13.739 35.27779 17.83852 
1 1 1    0   13   18 o  459.534   14.807  2644.41  169.922  2627.71  240.210  2661.14  240.403  457.400   21.030  460.315   20.914 -2.915039 29.65901 
1 1 1    0   13   19 o  290.535   10.550  1055.55   76.544  998.471  108.114  1112.92  108.385  281.909   15.416  298.120   14.559 -16.21072 21.20406 
1 1 1    0   13   20 o  125.205   16.893  200.053   51.468   0.0000   0.0000  200.053   51.468  ?   ?   125.205   16.893 0.000000 16.89260 
1 1 1    0   13   21 o  758.447   48.495  7469.47  913.679   0.0000   0.0000  7469.47  913.679  ?   ?   758.447   48.495 0.000000 48.49498 
1 1 1    0   13   22 o  515.692   19.218  3341.37  247.486  3169.14  428.936  3427.32  303.008  497.575   34.739  521.523   23.266 -23.94821 41.81057 
1 1 1    0   13   23 o  167.629   10.218  352.856   42.567  257.335   75.306  397.706   51.601  141.258   22.070  177.857   11.683 -36.59793 24.97184 
1 1 1    0   13   24 o  301.629   12.792  1140.09   96.350  1182.59  168.536  1119.46  117.432  305.299   22.260  298.189   15.827 7.110016 27.31286 
1 1 1    0   13   25 o  663.646   23.838  5578.88  395.057  4647.58  683.540  6046.00  484.099  592.392   46.582  688.937   28.139 -96.54449 54.42155 
1 1 1    0   13   26 o  386.208   15.443  1875.44  148.939  1723.69  259.231  1950.21  181.970  366.143   28.578  393.229   18.531 -27.08591 34.06078 
1 1 1    0   13   27 o   91.746   9.3068  106.484   21.028  169.364   43.522   87.336   24.017  114.975   15.558   82.585   11.997 32.39043 19.64603 
1 1 1    0   13   28 o  331.426   14.532  1382.68  120.273  1817.12  173.487  980.640  166.889  379.038   18.329  276.071   24.461 102.9676 30.56618 
1 1 1    0   13   29 o  262.807   12.196  867.861   80.041  771.638  141.594  913.049   97.031  244.690   23.460  268.829   14.508 -24.13933 27.58370 
1 1 1    0   13   30 o  519.467   19.794  3430.07  256.766  2882.16  445.928  3701.83  314.052  463.280   38.905  537.769   23.386 -74.48981 45.39315 
1 1 1    0   13   31 o  330.953   14.178  1380.88  117.176  1160.91  205.988  1486.11  142.473  298.161   27.993  342.707   16.648 -44.54648 32.56964 
1 1 1    0   13   32 o  361.348   14.484  1647.51  130.698  1762.23  230.976  1593.48  158.517  369.052   25.214  353.937   17.994 15.11499 30.97607 
1 1 1    0   13   33 o  302.785   12.947  1154.64   97.891  1236.82  175.568  1117.57  117.923  309.792   22.856  296.807   15.969 12.98447 27.88203 
1 1 1    0   13   34 o  607.137   41.676  5043.43  628.034   0.0000   0.0000  5043.43  628.034  ?   ?   607.137   41.676 0.000000 41.67574 
1 1 1    0   13   35 o   62.366   11.693   50.495   17.542   65.383   56.663   48.917   18.448   73.931   25.401   61.239   12.487 12.69183 28.30426 
1 1 1    0   13   36 o  191.147   11.411  461.207   54.222  249.402  105.618  537.006   63.183  134.947   31.853  206.129   12.331 -71.18181 34.15705 
1 1 1    0   13   37 o  209.678   11.195  554.652   58.405  588.861  117.514  543.430   67.307  212.870   22.445  207.151   13.079 5.718674 25.97749 
1 1 1    0   13   38 o   84.626   11.405   91.771   23.488   9.8097   74.189  100.902   24.762   63.920   27.016   88.800   11.432 -24.87947 29.33527 
1 1 1    0   13   39 o  157.605   15.391  318.477   59.800  196.263  102.750  381.076   73.537  118.620   33.315  171.953   17.363 -53.33297 37.56825 
1 1 1    0   13   40 o  255.309   11.887  824.020   75.784  1078.79  153.481  741.881   87.149  287.401   21.542  241.101   14.543 46.29961 25.99143 
1 1 1    0   13   41 o  231.376   12.422  681.116   71.509  505.372  144.228  738.399   82.342  189.749   31.546  240.431   13.772 -50.68210 34.42109 
1 1 1    0   13   42 o  217.009   12.226  600.782   65.982  563.577  141.146  611.187   74.640  200.750   28.996  218.271   13.764 -17.52097 32.09702 
1 1 1    0   13   43 o  137.359   14.269  245.058   48.232  228.158   90.504  251.762   57.000  125.234   29.437  138.215   16.864 -12.98114 33.92517 
1 1 1    0   13   44 o   35.636   13.750   11.163   17.328  177.402  148.186   8.8587   17.448  107.096   40.479   34.482   13.651 72.61452 42.71892 
1 1 1    0   13   45 o  140.996   14.660  260.916   50.863  243.621   99.340  267.061   59.213  125.831   31.645  141.455   17.111 -15.62381 35.97510 
1 1 1    0   13   46 o   79.689   16.313   86.415   31.369   72.585   97.318   88.019   33.137   78.960   31.905   80.168   17.076 -1.208809 36.18729 
1 1 1    0   13   47 o   59.551   16.389   48.671   25.140   56.697  103.434   48.167   25.917   75.793   31.959   59.247   16.764 16.54675 36.08938 
1 1 1    0   13   48 o   84.464   36.821   86.090  146.020   86.090  146.020   0.0000   0.0000   84.464   36.821  ?   ?  0.000000 36.82120 
1 1 1    0   14    0 o  387.736   12.838  1882.11  124.299  2123.87  176.312  1643.21  175.264  411.458   17.160  361.152   19.506 50.30679 25.97937 
1 1 1    0   14    1 o  599.361   17.705  4508.30  264.994  4888.25  375.391  4130.89  374.130  622.748   24.139  571.999   26.192 50.74939 35.61937 
1 1 1    0   14    2 o  606.013   27.141  4641.44  410.737  4727.91  580.666  4554.85  581.075  606.806   38.520  595.212   39.315 11.59399 55.04061 
1 1 1    0   14    3 o  209.321   9.3075  547.873   48.651  560.805   69.091  535.154   68.519  211.217   13.165  206.288   13.373 4.929184 18.76568 
1 1 1    0   14    4 o  487.187   15.163  2975.24  184.473  3136.85  261.261  2814.56  260.508  499.353   20.952  472.813   22.064 26.54019 30.42665 
1 1 1    0   14    5 o  225.783   9.4864  637.497   53.487  650.140   76.088  625.147   75.203  227.438   13.457  222.996   13.569 4.441986 19.11041 
1 1 1    0   14    6 o  390.277   13.187  1907.53  128.522  1874.12  181.892  1940.85  181.623  386.239   18.859  393.100   18.502 -6.860992 26.41902 
1 1 1    0   14    7 o  387.932   13.021  1884.51  126.138  1886.88  178.593  1882.14  178.179  387.609   18.451  387.125   18.431 0.4847717 26.07972 
1 1 1    0   14    8 o  189.406   12.027  450.819   56.591  482.954   80.833  419.930   79.252  195.506   16.718  182.071   17.653 13.43477 24.31247 
1 1 1    0   14    9 o  439.826   14.345  2423.58  157.559  2418.96  222.965  2428.19  222.679  438.653   20.355  439.499   20.289 -0.8460388 28.73978 
1 1 1    0   14   10 o  682.920   21.074  5864.66  359.386  5947.11  508.442  5782.34  508.056  685.315   29.710  675.626   30.113 9.688904 42.30214 
1 1 1    0   14   11 o  236.426   9.6869  698.941   57.191  725.603   80.948  672.368   80.813  240.348   13.542  231.280   14.059 9.068375 19.52047 
1 1 1    0   14   12 o  350.434   12.063  1536.65  105.560  1393.26  149.024  1681.04  149.547  332.764   18.001  366.197   16.354 -33.43320 24.32001 
1 1 1    0   14   13 o  368.274   12.606  1697.28  115.927  1649.11  163.814  1745.61  164.077  362.572   18.093  373.075   17.612 -10.50323 25.24920 
1 1 1    0   14   14 o  509.753   16.391  3256.65  208.643  3268.92  295.004  3244.37  295.126  509.759   23.175  507.824   23.273 1.934235 32.84317 
1 1 1    0   14   15 o  375.107   17.647  1764.34  165.306  1507.06  233.028  2024.95  234.535  344.617   27.302  400.516   23.553 -55.89871 36.05747 
1 1 1    0   14   16 o  216.501   13.364  588.890   71.899  652.333  101.289  524.459  102.076  227.372   17.986  203.376   20.373 23.99605 27.17627 
1 1 1    0   14   17 o  293.721   15.543  1083.73  113.600  1100.65  160.412  1066.70  160.900  295.141   21.921  290.459   22.355 4.682037 31.30945 
1 1 1    0   14   18 o  419.598   19.400  2209.76  203.271  2663.87  287.880  1758.23  287.060  459.209   25.201  371.495   31.233 87.71350 40.13220 
1 1 1    0   14   19 o  699.572   24.874  6164.79  434.544  6840.76  753.460  5827.89  531.922  730.142   41.495  678.421   31.398 51.72101 52.03526 
1 1 1    0   14   20 o  507.836   23.262  3246.43  294.994  3490.80  417.096  3001.86  417.272  523.767   32.044  484.760   34.699 39.00626 47.23183 
1 1 1    0   14   21 o  578.762   37.603  4295.62  540.524   0.0000   0.0000  4295.62  540.524  ?   ?   578.762   37.603 0.000000 37.60325 
1 1 1    0   14   22 o  380.634   26.607  1840.85  251.315   0.0000   0.0000  1840.85  251.315  ?   ?   380.634   26.607 0.000000 26.60721 
1 1 1    0   14   23 o  191.284   9.6827  458.907   46.101  568.475   81.716  407.753   55.835  212.290   15.522  179.993   12.500 32.29700 19.92924 
1 1 1    0   14   24 o  469.758   17.724  2775.57  207.918  2779.80  360.963  2773.48  254.352  465.578   31.228  468.720   21.731 -3.141937 38.04472 
1 1 1    0   14   25 f  120.502   9.6857  182.928   28.900  184.060   53.332  182.458   34.386  119.509   18.466  120.114   11.609 -0.6048584 21.81156 
1 1 1    0   14   26 o  175.820   9.7954  388.306   42.836  482.592   78.020  347.619   51.252  195.163   16.154  165.999   12.455 29.16388 20.39783 
1 1 1    0   14   27 o  414.280   16.243  2162.87  168.036  2087.25  292.639  2200.07  205.246  401.823   29.367  416.919   19.714 -15.09637 35.37062 
1 1 1    0   14   28 o  343.906   14.036  1488.27  120.540  1529.96  211.282  1468.15  146.770  345.086   24.681  340.460   17.320 4.626312 30.15187 
1 1 1    0   14   29 o  189.826   13.311  455.561   62.698  417.273   91.825  489.003   85.817  179.989   20.814  195.791   17.745 -15.80200 27.35129 
1 1 1    0   14   30 o  287.047   15.363  1042.96  109.722   0.0000   0.0000  1042.96  109.722  ?   ?   287.047   15.363 0.000000 15.36277 
1 1 1    0   14   31 o  556.888   38.237  4163.23  528.527  4163.23  528.527   0.0000   0.0000  556.888   38.237  ?   ?  0.000000 38.23739 
1 1 1    0   14   32 o  289.012   12.831  1051.59   92.605  1005.03  164.905  1073.05  111.918  278.777   23.920  291.009   15.456 -12.23242 28.47875 
1 1 1    0   14   33 o  113.981   9.6925  164.166   27.326  206.644   61.152  153.568   30.546  125.859   20.136  109.973   11.283 15.88594 23.08125 
1 1 1    0   14   34 o  284.550   13.102  1020.20   93.097  737.946  166.714  1148.10  112.224  236.432   28.834  301.459   14.908 -65.02721 32.45991 
1 1 1    0   14   35 o  320.269   23.854  1327.24  189.407   0.0000   0.0000  1327.24  189.407  ?   ?   320.269   23.854 0.000000 23.85364 
1 1 1    0   14   36 o  171.679   10.967  372.020   46.772  238.969   94.753  414.884   53.781  132.728   29.365  181.160   11.955 -48.43199 31.70587 
1 1 1    0   14   37 o  101.639   10.409  131.162   26.047  155.237   72.870  127.635   27.890  107.113   27.194  100.088   11.360 7.025948 29.47158 
1 1 1    0   14   38 o  270.087   12.244  919.804   82.582  1059.51  158.497  867.743   96.753  285.835   22.384  261.318   14.888 24.51755 26.88327 
1 1 1    0   14   39 o  126.597   10.710  203.218   33.540  185.895   90.550  205.972   36.109  115.917   30.769  127.314   11.481 -11.39682 32.84132 
1 1 1    0   14   40 f  106.508   15.052  147.100   38.919  171.127   87.211  141.126   43.489  110.775   30.541  103.651   17.420 7.123940 35.15974 
1 1 1    0   14   41 o  133.478   11.132  226.799   36.766  135.539   98.806  241.466   39.610   99.658   33.550  137.636   11.633 -37.97775 35.50939 
1 1 1    0   14   42 o  258.068   11.863  845.918   76.448  1243.07  163.021  733.963   86.555  306.372   21.443  238.946   14.575 67.42622 25.92799 
1 1 1    0   14   43 o  159.267   10.535  323.170   41.663  433.299   97.892  298.809   46.042  178.778   22.420  152.603   12.184 26.17499 25.51671 
1 1 1    0   14   44 o  111.710   11.418  160.776   31.405   65.074   89.656  174.160   33.529   77.654   30.880  116.219   11.713 -38.56515 33.02691 
1 1 1    0   14   45 o  170.508   16.558  384.826   69.615  335.613  175.378  394.031   75.846  135.693   44.672  171.717   17.953 -36.02467 48.14422 
1 1 1    0   14   46 o   69.627   12.116   64.017   20.301  173.446   96.306   58.929   20.768  104.673   32.989   66.496   12.973 38.17687 35.44837 
1 1 1    0   14   47 o   75.249   11.950   74.662   21.704  154.302  105.000   71.108   22.183   97.565   34.506   73.195   12.590 24.36950 36.73154 
1 1 1    0   14   48 o  152.012   11.218  299.618   42.284  451.984  124.044  279.586   44.978  169.577   30.410  146.199   12.438 23.37810 32.85513 
1 1 1    0   15    0 o  122.175   8.9607  187.617   27.148  225.219   39.151  152.791   37.677  133.630   11.856  109.550   14.100 24.08035 18.42174 
1 1 1    0   15    1 o  444.392   14.121  2473.65  156.709  2752.88  222.284  2197.74  220.963  468.197   19.012  417.504   21.264 50.69330 28.52407 
1 1 1    0   15    2 o  557.631   16.517  3899.47  229.995  4192.07  325.901  3609.15  324.629  577.078   22.615  535.121   24.293 41.95752 33.19042 
1 1 1    0   15    3 o  521.979   23.721  3432.50  309.200  3366.80  436.858  3498.44  437.693  513.407   34.271  523.596   33.653 -10.18927 48.03198 
1 1 1    0   15    4 o  589.182   26.188  4381.65  385.302   0.0000   0.0000  4381.65  385.302  ?   ?   589.182   26.188 0.000000 26.18788 
1 1 1    0   15    5 o  563.310   24.644  4000.39  346.658  4000.39  346.658   0.0000   0.0000  563.310   24.644  ?   ?  0.000000 24.64354 
1 1 1    0   15    6 o  420.086   13.965  2210.27  146.494  2243.70  207.470  2177.02  206.879  422.610   19.659  416.251   19.903 6.358673 27.97491 
1 1 1    0   15    7 o  161.389   7.6733  325.515   30.925  348.594   44.341  303.658   43.152  166.595   10.715  155.394   11.195 11.20140 15.49681 
1 1 1    0   15    8 o   70.855   8.0662   63.560   14.018   64.580   20.869   62.721   18.922   70.831   12.242   69.936   11.213 0.8941956 16.60105 
1 1 1    0   15    9 o  334.716   16.364  1404.62  136.782  1515.81  194.168  1295.10  192.717  346.352   22.573  319.710   24.321 26.64197 33.18215 
1 1 1    0   15   10 o  267.734   14.775  900.666   98.401  801.694  139.388  998.995  138.935  251.464   22.433  281.329   19.905 -29.86467 29.99047 
1 1 1    0   15   11 o  301.257   10.984  1135.19   82.628  1189.63  117.052  1081.11  116.657  308.144   15.212  293.270   15.989 14.87341 22.06938 
1 1 1    0   15   12 o  303.074   11.117  1148.94   84.138  1141.59  119.016  1156.27  118.961  301.411   15.868  303.362   15.758 -1.950348 22.36302 
1 1 1    0   15   13 o  105.965   7.6409  141.044   20.083   97.269   28.090  186.823   28.725   87.158   13.330  121.874   9.5139 -34.71601 16.37659 
1 1 1    0   15   14 o  468.566   15.287  2750.32  178.876  2788.39  252.957  2712.25  252.980  471.044   21.505  464.526   21.808 6.518036 30.62781 
1 1 1    0   15   15 o  235.397   9.7724  692.788   57.445  713.449   81.085  671.968   81.396  238.339   13.681  231.233   14.164 7.106384 19.69263 
1 1 1    0   15   16 o  588.133   18.468  4339.48  271.234  4518.81  383.693  4160.36  383.473  598.841   25.658  574.375   26.736 24.46667 37.05559 
1 1 1    0   15   17 o  321.286   12.611  1291.76  101.181  1146.43  123.245  1592.23  177.210  301.998   16.404  355.536   20.041 -53.53769 25.89880 
1 1 1    0   15   18 o  161.349   11.568  327.349   46.302  257.790   64.125  403.120   66.927  142.157   18.502  178.752   15.135 -36.59424 23.90426 
1 1 1    0   15   19 o  551.336   24.937  3831.22  343.334  3826.15  485.096  3836.30  486.001  547.201   35.696  547.923   35.715 -0.7221069 50.49481 
1 1 1    0   15   20 o  635.929   28.269  5114.66  448.918  4996.04  634.184  5233.79  635.550  622.909   40.999  638.034   40.093 -15.12439 57.34437 
1 1 1    0   15   21 o  391.628   18.839  1927.00  184.244  1910.73  259.808  1943.47  261.319  387.800   26.997  391.143   26.918 -3.342926 38.12324 
1 1 1    0   15   22 o  926.970   60.492 11541.01  1392.60   0.0000   0.0000 11541.01  1392.60  ?   ?   926.970   60.492 0.000000 60.49195 
1 1 1    0   15   23 o  427.674   20.165  2304.33  215.354  2055.34  304.259  2554.30  304.854  400.474   30.657  447.792   27.394 -47.31827 41.11322 
1 1 1    0   15   24 o  391.415   15.502  1924.46  151.519  1846.14  263.024  1963.36  185.367  379.856   27.924  394.794   18.802 -14.93793 33.66434 
1 1 1    0   15   25 o  521.078   19.410  3426.63  252.565  3114.15  437.630  3582.68  309.267  489.233   36.076  531.567   23.298 -42.33380 42.94497 
1 1 1    0   15   26 o  321.478   13.555  1298.12  108.821  1193.33  189.602  1349.59  132.888  305.065   25.112  327.363   16.256 -22.29892 29.91394 
1 1 1    0   15   27 o  244.319   11.665  749.049   71.169  640.247  125.057  801.164   86.551  223.235   22.751  252.055   13.803 -28.81990 26.61115 
1 1 1    0   15   28 o  366.098   14.614  1688.15  133.601  1742.00  233.549  1661.95  162.885  367.787   25.588  362.434   17.997 5.353546 31.28357 
1 1 1    0   15   29 o   79.650   10.866   81.081   21.048   47.167   45.991   90.066   23.672   64.694   22.842   83.898   11.610 -19.20401 25.62308 
1 1 1    0   15   30 o  210.133   13.436  558.240   70.136  586.476  103.566  534.320   95.321  213.944   19.603  204.321   18.896 9.623367 27.22745 
1 1 1    0   15   31 o  220.032   10.764  607.950   59.146  707.632  109.165  566.530   70.369  235.329   18.731  211.666   13.382 23.66330 23.02047 
1 1 1    0   15   32 o  109.549   9.7590  151.746   26.417  193.566   58.454  141.012   29.614  121.802   19.906  105.312   11.445 16.48963 22.96141 
1 1 1    0   15   33 o  198.923   10.383  498.187   51.396  603.332   98.110  458.418   60.338  217.208   18.257  190.384   12.765 26.82385 22.27744 
1 1 1    0   15   34 o  181.745   10.887  416.495   49.182  314.995   94.596  454.095   57.575  154.369   25.425  189.564   12.228 -35.19553 28.21233 
1 1 1    0   15   35 o  425.626   17.170  2298.70  182.499  2036.11  320.769  2424.38  221.917  390.987   33.166  435.676   20.398 -44.68872 38.93644 
1 1 1    0   15   36 o  107.052   16.287  148.418   42.166   0.0000   0.0000  148.418   42.166  ?   ?   107.052   16.287 0.000000 16.28660 
1 1 1    0   15   37 o  235.285   15.137  703.579   88.466  681.026  136.867  719.763  115.940  228.311   24.383  236.526   19.812 -8.214798 31.41730 
1 1 1    0   15   38 o  171.811   10.651  372.721   45.470  407.395  101.303  363.973   50.884  176.027   23.644  169.501   12.101 6.526215 26.56056 
1 1 1    0   15   39 o  118.733   10.779  178.957   31.610  163.597   87.447  181.266   33.903  109.021   30.775  119.366   11.517 -10.34509 32.85896 
1 1 1    0   15   40 o  255.071   12.055  822.591   76.785  935.779  153.684  784.936   88.641  266.678   23.312  248.125   14.367 18.55243 27.38361 
1 1 1    0   15   41 o  133.436   15.050  230.127   49.272  182.824   99.127  245.649   56.783  113.159   33.028  137.325   16.916 -24.16579 37.10759 
1 1 1    0   15   42 f  183.050   11.789  427.094   53.601  304.256  121.919  456.526   59.679  143.665   34.433  188.965   12.721 -45.30052 36.70734 
1 1 1    0   15   43 o  201.707   11.342  518.925   56.899  533.385  133.124  515.692   62.938  194.531   28.229  200.572   12.630 -6.041916 30.92537 
1 1 1    0   15   44 o  274.319   11.644  960.773   79.764  1159.97  139.587  864.192   97.196  295.536   19.015  257.802   15.164 37.73355 24.32144 
1 1 1    0   15   45 o  176.843   11.129  400.978   48.896  454.104  110.417  388.019   54.534  179.087   25.402  173.273   12.692 5.814285 28.39600 
1 1 1    0   15   46 o  110.254   11.266  157.216   30.583  111.461  101.646  161.771   32.069   88.510   33.508  111.718   11.667 -23.20791 35.48138 
1 1 1    0   15   47 o   23.611   10.615  -5.8307   13.084   42.434  161.760  -6.1485   13.127   83.484   37.443   23.530   10.600 59.95393 38.91451 
1 1 1    0   15   48 o  102.780   12.102  138.560   30.465   0.0000   0.0000  138.560   30.465  ?   ?   102.780   12.102 0.000000 12.10161 
1 1 1    0   16    0 o  250.195   14.175  786.787   88.199  812.360  127.901  763.601  121.788  253.364   20.388  245.651   20.028 7.712646 28.57924 
1 1 1    0   16    1 o  312.308   10.266  1219.98   80.066  1371.15  114.133  1073.50  112.348  330.855   13.814  292.230   15.450 38.62509 20.72529 
1 1 1    0   16    2 o  193.352   8.6116  467.352   41.580  572.014   59.924  370.170   57.743  213.520   11.279  171.389   13.603 42.13133 17.67085 
1 1 1    0   16    3 o  299.633   12.696  1123.90   94.998  1280.86  167.553  1049.54  115.326  318.447   21.191  288.886   16.050 29.56128 26.58289 
1 1 1    0   16    4 o  257.161   15.194  831.612   97.136  831.612   97.136   0.0000   0.0000  257.161   15.194  ?   ?  0.000000 15.19352 
1 1 1    0   16    5 o  510.600   23.171  3282.76  295.450  3551.66  418.146  3014.67  417.514  528.225   31.849  485.636   34.655 42.58881 47.06745 
1 1 1    0   16    6 o  265.803   10.222  883.585   67.849  878.617   96.446  888.453   95.466  264.425   14.663  265.932   14.430 -1.507080 20.57263 
1 1 1    0   16    7 o  410.358   13.529  2108.50  138.632  2239.50  196.561  1978.84  195.553  422.378   18.636  396.910   19.730 25.46854 27.13952 
1 1 1    0   16    8 o  501.716   16.145  3155.49  202.278  3066.64  286.215  3244.15  285.914  493.555   23.222  507.758   22.549 -14.20261 32.36876 
1 1 1    0   16    9 o  114.101   8.4995  163.631   24.044  127.985   34.824  196.103   33.238  100.080   14.344  124.751   10.775 -24.67120 17.94065 
1 1 1    0   16   10 o  337.471   11.874  1424.97  100.066  1396.42  141.759  1453.33  141.272  333.266   17.091  340.470   16.616 -7.203644 23.83693 
1 1 1    0   16   11 o  259.164   13.928  843.438   89.807  920.639  127.705  767.903  126.319  270.157   19.052  246.360   20.725 23.79700 28.15153 
1 1 1    0   16   12 o  447.489   17.099  2510.95  191.071  2378.18  234.082  2776.00  330.748  434.954   21.551  467.929   28.440 -32.97479 35.68332 
1 1 1    0   16   13 o  417.460   13.913  2182.06  145.041  2194.56  205.176  2169.58  205.062  418.072   19.653  415.674   19.755 2.397919 27.86576 
1 1 1    0   16   14 o  153.607   8.3104  295.764   31.759  253.401   44.788  338.607   45.041  141.719   12.794  164.164   11.051 -22.44487 16.90582 
1 1 1    0   16   15 o  331.874   11.864  1378.01   98.321  1431.51  138.942  1324.35  139.153  337.936   16.464  324.529   17.232 13.40704 23.83352 
1 1 1    0   16   16 o  477.516   15.526  2857.14  185.141  3067.97  261.928  2646.63  261.731  494.062   21.230  458.644   22.852 35.41791 31.19190 
1 1 1    0   16   17 o  209.350   8.6806  547.847   45.381  466.031   63.588  632.777   64.786  192.483   13.311  224.596   11.591 -32.11267 17.65002 
1 1 1    0   16   18 o  280.435   10.041  983.485   70.320  909.226   98.854  1059.56  100.053  268.993   14.773  290.878   13.774 -21.88504 20.19831 
1 1 1    0   16   19 o  117.288   8.0431  172.753   23.415  174.480   32.438  170.875   33.834  117.563   11.184  116.255   11.819 1.307823 16.27176 
1 1 1    0   16   20 o  205.260   10.822  528.601   55.273  586.222   67.227  408.390   97.101  216.022   12.516  178.734   22.236 37.28853 25.51630 
1 1 1    0   16   21 o  297.860   12.574  1111.17   93.527  1082.01  114.130  1170.79  163.191  293.269   15.641  304.088   21.632 -10.81882 26.69375 
1 1 1    0   16   22 o  393.986   19.056  1953.35  187.485  1985.07  264.365  1921.25  265.931  394.756   26.980  388.146   27.616 6.609863 38.60771 
1 1 1    0   16   23 o  421.554   16.042  2232.63  168.872  2209.96  292.512  2243.97  206.819  415.786   28.341  421.975   19.627 -6.189117 34.47391 
1 1 1    0   16   24 o  198.005   10.499  492.361   51.726  446.078   90.440  514.860   63.057  187.036   19.658  202.247   12.547 -15.21094 23.32086 
1 1 1    0   16   25 o  261.612   12.144  858.417   79.337  717.584  138.151  927.719   96.911  236.581   23.703  271.354   14.353 -34.77295 27.70992 
1 1 1    0   16   26 o  126.929   9.8699  203.050   31.038  191.854   57.228  207.715   36.944  121.699   19.489  128.155   11.672 -6.456268 22.71654 
1 1 1    0   16   27 o  506.651   19.073  3250.37  241.309  3147.10  418.777  3301.71  295.255  489.834   34.455  508.923   23.232 -19.08911 41.55626 
1 1 1    0   16   28 o  175.001   10.471  385.536   45.550  314.684   81.832  417.345   54.830  155.814   21.613  181.855   12.144 -26.04095 24.79111 
1 1 1    0   16   29 o  311.526   16.270  1229.70  126.129   0.0000   0.0000  1229.70  126.129  ?   ?   311.526   16.270 0.000000 16.26970 
1 1 1    0   16   30 o  192.571   13.378  469.212   63.933  453.004   93.465  483.464   87.645  187.597   20.274  194.400   18.268 -6.802902 27.29030 
1 1 1    0   16   31 o  161.700   12.369  330.847   49.567  383.028   76.298  292.744   65.198  172.877   17.935  150.974   17.625 21.90257 25.14567 
1 1 1    0   16   32 o  221.776   11.630  620.069   64.183  499.801  116.934  671.926   76.784  195.697   24.462  230.535   13.396 -34.83812 27.88993 
1 1 1    0   16   33 o  118.715   9.9901  178.126   29.341  202.167   66.548  172.325   32.689  123.867   22.336  116.539   11.378 7.327705 25.06699 
1 1 1    0   16   34 o  391.612   16.107  1941.65  157.516  1703.39  277.547  2054.86  191.311  358.855   31.285  401.754   19.069 -42.89883 36.63827 
1 1 1    0   16   35 o  253.577   12.184  809.496   77.153  770.750  144.135  825.056   91.341  243.512   24.015  255.199   14.392 -11.68700 27.99745 
1 1 1    0   16   36 o  193.903   11.306  474.502   54.508  353.724  106.850  516.991   63.375  162.934   27.221  202.171   12.616 -39.23708 30.00281 
1 1 1    0   16   37 o  187.307   11.430  443.155   53.208  318.966  107.726  483.228   61.193  153.693   29.135  195.386   12.609 -41.69264 31.74606 
1 1 1    0   16   38 o  132.392   16.527  226.063   53.450   0.0000   0.0000  226.063   53.450  ?   ?   132.392   16.527 0.000000 16.52714 
1 1 1    0   16   39 o  212.880   11.643  573.213   61.662  544.474  126.511  582.168   70.617  202.573   25.579  214.131   13.272 -11.55791 28.81713 
1 1 1    0   16   40 o   98.103   10.608  122.715   25.573  168.424   85.340  118.205   26.805  109.983   30.166   96.108   11.390 13.87453 32.24493 
1 1 1    0   16   41 o  151.308   10.507  290.429   39.453  354.466  103.835  279.625   42.652  160.996   26.767  148.192   11.619 12.80411 29.17992 
1 1 1    0   16   42 o  317.569   13.937  1288.84  110.525  1369.86  211.498  1258.40  129.634  316.690   27.002  311.836   16.708 4.854126 31.75283 
1 1 1    0   16   43 o   85.423   15.942   97.148   32.755  153.452   99.790   90.349   34.677  102.471   33.695   81.869   17.492 20.60176 37.96495 
1 1 1    0   16   44 o  186.356   11.504  444.660   53.272  478.561  136.304  438.548   57.875  180.159   31.441  184.598   12.631 -4.438736 33.88307 
1 1 1    0   16   45 o  182.801   11.013  428.043   50.037  499.796  112.727  410.437   55.839  188.817   24.484  178.284   12.624 10.53259 27.54686 
1 1 1    0   16   46 o   82.230   11.507   88.229   22.981   78.688   99.967   88.761   23.613   81.072   32.485   82.389   11.816 -1.316269 34.56677 
1 1 1    0   16   47 o   96.087   11.348  120.124   26.705  153.654  108.952  117.981   27.545   97.740   35.087   95.040   11.864 2.700279 37.03897 
1 1 1    0   16   48 o  143.231   17.467  279.143   61.181   0.0000   0.0000  279.143   61.181  ?   ?   143.231   17.467 0.000000 17.46719 
1 1 1    0   17    0 o  302.821   10.668  1147.49   80.668  1154.55  114.775  1140.60  113.400  303.411   15.148  301.581   15.058 1.829376 21.35908 
1 1 1    0   17    1 o  417.887   19.074  2195.06  199.044  2401.30  284.320  1996.84  278.744  435.008   26.297  396.004   28.375 39.00452 38.68718 
1 1 1    0   17    2 o   68.886   9.9388   60.575   16.602   63.150   25.395   58.652   21.940   69.648   15.041   67.234   13.536 2.413994 20.23516 
1 1 1    0   17    3 f  239.512   9.7504  717.440   58.318  765.954   83.723  671.717   81.279  246.912   13.631  231.116   14.151 15.79584 19.64854 
1 1 1    0   17    4 o  382.971   12.891  1836.38  123.282  2023.18  175.094  1652.73  173.610  401.511   17.463  362.194   19.264 39.31787 26.00128 
1 1 1    0   17    5 o  198.526   8.5974  492.702   42.622  566.205   61.376  424.242   59.234  212.398   11.616  183.618   13.002 28.78000 17.43523 
1 1 1    0   17    6 o  268.425   9.5978  900.977   64.335  1018.48   92.037  788.702   89.964  285.221   12.922  250.496   14.443 34.72491 19.38002 
1 1 1    0   17    7 o  858.073   37.543  9399.81  804.453  9743.25  1138.21  9057.02  1137.13  862.786   53.086  830.228   55.162 32.55804 76.55704 
1 1 1    0   17    8 o  849.837   25.733  9111.61  546.112  9512.92  773.050  8711.83  771.589  864.179   35.822  826.258   37.396 37.92072 51.78473 
1 1 1    0   17    9 o  246.425   9.6851  759.320   59.599  816.993   85.022  703.600   83.569  255.094   13.394  236.590   14.211 18.50357 19.52787 
1 1 1    0   17   10 o  639.031   19.882  5129.84  317.275  5103.09  448.925  5156.54  448.463  635.392   28.293  638.759   28.115 -3.367310 39.88683 
1 1 1    0   17   11 o  190.462   9.0924  453.509   43.245  454.377   61.714  452.672   60.616  190.069   13.082  189.732   12.870 0.3366089 18.35141 
1 1 1    0   17   12 o  564.378   17.661  3995.96  248.910  3979.54  352.172  4012.34  351.853  561.863   25.100  564.201   24.973 -2.337219 35.40730 
1 1 1    0   17   13 o  467.407   21.589  2747.16  251.984  2492.80  356.290  3001.72  356.430  442.142   32.497  486.243   29.494 -44.10196 43.88551 
1 1 1    0   17   14 f  209.169   9.4324  547.027   49.269  544.716   69.446  549.369   69.910  208.152   13.432  209.039   13.464 -0.8871765 19.01834 
1 1 1    0   17   15 o  396.697   13.425  1970.38  132.994  2110.65  188.105  1830.19  188.058  410.076   18.369  381.191   19.824 28.88492 27.02640 
1 1 1    0   17   16 o  337.303   11.994  1423.80  101.025  1409.89  142.676  1437.79  143.066  334.824   17.121  338.575   16.921 -3.751038 24.07215 
1 1 1    0   17   17 o  272.466   10.339  928.549   70.347  946.501   99.255  910.429   99.717  274.474   14.533  269.135   14.895 5.338531 20.81033 
1 1 1    0   17   18 o  443.272   14.568  2462.27  161.260  2510.15  227.917  2414.28  228.193  446.780   20.428  438.099   20.858 8.681580 29.19570 
1 1 1    0   17   19 o  374.622   12.640  1757.40  118.252  1826.24  166.961  1688.11  167.506  381.378   17.531  366.580   18.298 14.79788 25.34107 
1 1 1    0   17   20 o  101.071   8.1725  128.550   20.450  121.483   27.987  136.648   29.956   97.815   11.689  103.812   11.763 -5.996613 16.58333 
1 1 1    0   17   21 o  435.057   14.165  2373.56  153.888  2335.15  217.300  2412.21  217.961  430.556   20.211  437.653   19.943 -7.097290 28.39382 
1 1 1    0   17   22 o  219.301   9.4627  601.774   51.821  586.744   72.809  617.204   73.773  215.880   13.575  221.456   13.403 -5.576111 19.07688 
1 1 1    0   17   23 o  284.686   10.551  1014.94   75.012  998.938  105.683  1031.18  106.487  281.603   15.083  286.145   14.954 -4.541840 21.24013 
1 1 1    0   17   24 o  184.201   10.377  426.341   47.539  419.188   82.525  429.894   58.158  181.400   18.476  184.682   12.687 -3.282578 22.41274 
1 1 1    0   17   25 o  371.542   14.673  1736.00  136.140  1929.05  236.496  1640.32  166.493  388.460   24.505  359.920   18.588 28.53976 30.75728 
1 1 1    0   17   26 o  195.745   10.810  481.948   52.638  412.622   92.212  515.457   64.110  179.155   21.010  202.173   12.764 -23.01805 24.58357 
1 1 1    0   17   27 o  248.809   11.784  777.380   73.219  759.660  128.547  785.890   89.082  243.501   21.356  249.421   14.363 -5.919220 25.73668 
1 1 1    0   17   28 f  298.124   13.167  1118.33   98.028  883.173  171.069  1233.30  119.615  260.622   26.660  312.649   15.321 -52.02701 30.74900 
1 1 1    0   17   29 o  221.259   13.853  619.167   76.155  610.408  109.381  627.408  106.094  218.090   20.318  221.396   19.385 -3.305618 28.08215 
1 1 1    0   17   30 o  201.758   11.148  512.911   55.947  383.261  100.117  571.780   67.463  171.238   24.078  212.768   12.756 -41.52946 27.24837 
1 1 1    0   17   31 o  131.633   10.026  218.699   32.709  219.537   64.638  218.411   37.923  129.697   20.650  131.293   11.689 -1.596054 23.72871 
1 1 1    0   17   32 o  182.373   13.832  421.779   62.522  339.516   92.668  490.512   84.706  160.960   23.770  195.896   17.500 -34.93553 29.51720 
1 1 1    0   17   33 o  213.827   15.229  580.758   80.784  389.334  118.319  747.918  110.567  170.817   28.760  241.893   18.443 -71.07516 34.16527 
1 1 1    0   17   34 o  168.406   10.218  357.412   42.768  424.987   87.127  335.961   49.089  181.634   19.515  162.937   12.152 18.69771 22.98935 
1 1 1    0   17   35 o  180.873   10.909  412.681   49.044  353.524   99.289  431.772   56.405  163.709   25.087  184.775   12.294 -21.06616 27.93753 
1 1 1    0   17   36 o  255.504   12.200  822.228   77.838  817.042  146.874  824.253   91.789  250.684   23.745  254.974   14.476 -4.290237 27.80978 
1 1 1    0   17   37 o  293.029   13.135  1083.57   96.119  1058.51  178.912  1093.74  113.962  284.516   25.450  293.367   15.612 -8.851013 29.85737 
1 1 1    0   17   38 o  321.623   13.025  1306.32  104.612  1678.77  197.801  1161.69  123.262  360.190   22.098  301.874   16.413 58.31583 27.52636 
1 1 1    0   17   39 o   89.312   16.470  104.674   35.380   0.0000   0.0000  104.674   35.380  ?   ?    89.312   16.470 0.000000 16.47024 
1 1 1    0   17   40 o  265.805   12.613  894.529   83.723  961.672  164.749  871.152   97.211  269.385   24.768  261.171   14.968 8.214020 28.93931 
1 1 1    0   17   41 o  130.266   10.833  215.869   34.919  120.538   98.739  229.496   37.331   95.614   33.492  134.248   11.239 -38.63351 35.32744 
1 1 1    0   17   42 o  223.454   11.620  635.319   64.619  793.183  143.395  595.092   72.386  242.762   23.967  215.532   13.517 27.22937 27.51598 
1 1 1    0   17   43 o  235.417   12.155  708.384   71.215  773.093  156.432  691.467   79.985  235.715   27.067  231.769   13.884 3.946472 30.41984 
1 1 1    0   17   44 o  139.868   14.683  255.392   50.519  398.042  121.022  225.288   55.595  164.707   30.549  130.066   17.566 34.64139 35.23915 
1 1 1    0   17   45 f   85.300   11.305   94.486   23.488   82.160   96.189   95.267   24.221   82.046   32.188   85.562   11.638 -3.515770 34.22726 
1 1 1    0   17   46 o  165.628   10.870  352.104   44.708  499.654  113.803  325.175   48.617  187.591   24.909  158.500   12.381 29.09087 27.81697 
1 1 1    0   17   47 o   80.001   12.039   84.148   23.305   0.0000   0.0000   84.148   23.305  ?   ?    80.001   12.039 0.000000 12.03874 
1 1 1    0   18    0 o  281.138   10.336  989.314   72.566  896.030  103.393  1079.87  101.872  266.687   15.593  293.430   13.903 -26.74323 20.89091 
1 1 1    0   18    1 o  217.131   9.3948  589.780   50.940  609.965   73.292  570.918   70.851  220.197   13.393  213.007   13.388 7.190781 18.93672 
1 1 1    0   18    2 o  376.615   18.030  1782.71  169.573   0.0000   0.0000  1782.71  169.573  ?   ?   376.615   18.030 0.000000 18.03048 
1 1 1    0   18    3 o  674.696   43.768  5916.53  733.433  5916.53  733.433   0.0000   0.0000  674.696   43.768  ?   ?  0.000000 43.76755 
1 1 1    0   18    4 o  264.234   10.311  873.495   68.038  874.135   97.184  872.879   95.285  263.641   14.822  263.487   14.538 0.1540222 20.76121 
1 1 1    0   18    5 o  261.290   9.7482  853.910   63.606  916.446   91.068  794.347   88.877  270.477   13.483  251.373   14.217 19.10460 19.59358 
1 1 1    0   18    6 o  375.137   12.917  1762.28  121.004  1855.15  171.833  1670.92  170.426  384.376   17.902  364.211   18.802 20.16550 25.96177 
1 1 1    0   18    7 o  325.485   11.724  1325.90   95.292  1340.58  135.468  1311.53  134.070  326.468   16.672  322.899   16.684 3.568176 23.58651 
1 1 1    0   18    8 o  743.003   32.751  7018.32  607.672  6813.60  859.082  7223.32  859.675  723.417   47.825  745.828   46.388 -22.41071 66.62592 
1 1 1    0   18    9 o  154.769   8.2084  300.258   31.611  388.478   46.401  223.854   43.182  175.905   10.613  133.059   13.169 42.84604 16.91312 
1 1 1    0   18   10 o  593.895   18.367  4428.57  272.397  4433.48  385.614  4423.68  384.841  592.556   26.060  591.906   26.036 0.6495972 36.83750 
1 1 1    0   18   11 o  190.234   9.0753  452.470   43.112  470.053   61.834  435.836   60.141  193.337   12.881  186.120   13.022 7.217163 18.31647 
1 1 1    0   18   12 o  744.562   22.796  6981.17  423.853  7015.35  599.674  6947.05  599.163  743.204   32.311  739.526   32.445 3.678589 45.78948 
1 1 1    0   18   13 o  223.417   9.1985  624.110   51.319  669.250   73.023  580.059   72.138  230.861   12.716  214.793   13.518 16.06781 18.55875 
1 1 1    0   18   14 o  615.730   19.376  4763.44  297.927  4724.77  421.378  4802.11  421.286  611.263   27.605  616.311   27.373 -5.047791 38.87613 
1 1 1    0   18   15 o  409.559   19.281  2107.66  197.200  2227.81  279.402  1988.40  278.367  419.008   26.844  395.378   28.383 23.63025 39.06632 
1 1 1    0   18   16 o  440.432   14.637  2431.13  160.980  2543.83  227.685  2318.49  227.636  449.751   20.273  429.218   21.238 20.53235 29.36042 
1 1 1    0   18   17 o  414.033   13.771  2147.80  142.380  2049.43  201.121  2246.63  201.591  403.674   19.952  422.778   19.094 -19.10455 27.61637 
1 1 1    0   18   18 o  340.484   12.120  1451.60  103.049  1489.86  145.474  1413.07  145.993  344.480   16.911  334.969   17.514 9.511230 24.34598 
1 1 1    0   18   19 o  288.716   10.677  1043.26   76.978  1072.01  108.419  1014.03  109.314  291.962   14.920  283.859   15.480 8.103638 21.49991 
1 1 1    0   18   20 o  216.165   9.1386  584.527   49.330  554.550   69.033  615.808   70.518  209.921   13.237  221.306   12.815 -11.38501 18.42377 
1 1 1    0   18   21 o  299.897   11.183  1126.40   83.751  1169.34  118.160  1083.05  118.726  304.731   15.580  293.123   16.284 11.60736 22.53639 
1 1 1    0   18   22 o  257.786   10.025  831.977   64.534  869.824   90.827  793.391   91.710  262.898   13.884  250.926   14.700 11.97218 20.22042 
1 1 1    0   18   23 o  231.211   9.6438  669.320   55.681  658.746   78.188  680.201   79.313  228.645   13.758  232.355   13.730 -3.710251 19.43705 
1 1 1    0   18   24 o  458.670   14.815  2645.76  169.691  2476.94  239.466  2816.04  240.495  441.982   21.696  471.679   20.418 -29.69690 29.79300 
1 1 1    0   18   25 o  372.195   14.821  1743.56  137.749  1610.56  238.154  1810.43  168.862  353.445   27.191  378.583   17.862 -25.13800 32.53318 
1 1 1    0   18   26 o  479.184   17.956  2904.22  214.860  2614.39  371.723  3049.63  263.300  446.463   33.587  489.660   21.533 -43.19638 39.89719 
1 1 1    0   18   27 o  439.597   16.765  2442.59  184.039  2291.91  318.781  2517.93  225.396  418.891   30.688  445.071   20.280 -26.18018 36.78383 
1 1 1    0   18   28 o  162.020   12.314  331.953   49.450   0.0000   0.0000  331.953   49.450  ?   ?   162.020   12.314 0.000000 12.31423 
1 1 1    0   18   29 o   52.472   13.264   36.013   17.389   33.773   39.002   36.569   19.427   57.091   20.920   52.976   14.336 4.114647 25.36112 
1 1 1    0   18   30 o  140.215   10.240  248.080   35.605  199.622   66.263  267.751   42.218  123.109   22.379  145.470   11.721 -22.36088 25.26242 
1 1 1    0   18   31 o  201.101   11.339  509.929   56.713  318.556  101.572  596.615   68.361  154.711   27.288  217.326   12.651 -62.61549 30.07816 
1 1 1    0   18   32 f  237.126   11.543  707.067   68.354  698.013  123.462  711.069   82.082  232.671   21.492  237.019   13.929 -4.348221 25.61109 
1 1 1    0   18   33 o  224.120   14.290  636.600   79.562  610.802  116.855  658.895  108.631  217.381   21.821  226.643   19.380 -9.261856 29.18466 
1 1 1    0   18   34 o  146.060   12.852  270.830   46.400  340.592   77.157  231.307   58.075  162.390   19.412  133.820   17.822 28.57022 26.35192 
1 1 1    0   18   35 o  304.384   13.611  1169.10  103.457  1020.85  185.362  1236.18  124.685  279.062   26.934  311.959   16.060 -32.89709 31.35848 
1 1 1    0   18   36 o  178.613   10.961  402.666   48.652  308.174   99.381  432.450   55.795  151.763   27.223  184.903   12.151 -33.14052 29.81231 
1 1 1    0   18   37 o  238.275   11.204  714.503   66.664  913.984  132.650  647.097   77.109  266.489   20.081  225.911   13.734 40.57822 24.32802 
1 1 1    0   18   38 o  113.634   10.296  163.704   28.900  324.989   86.649  143.516   30.656  157.115   22.747  106.074   11.772 51.04115 25.61227 
1 1 1    0   18   39 o  123.831   10.394  194.387   31.842  254.490   94.158  186.625   33.836  136.302   28.576  121.146   11.316 15.15648 30.73528 
1 1 1    0   18   40 o  155.321   11.809  306.691   45.459   0.0000   0.0000  306.691   45.459  ?   ?   155.321   11.809 0.000000 11.80865 
1 1 1    0   18   41 o  245.487   20.558  790.634  124.868   0.0000   0.0000  790.634  124.868  ?   ?   245.487   20.558 0.000000 20.55832 
1 1 1    0   18   42 o  266.608   12.202  903.828   81.236  1239.88  172.981  808.745   92.013  304.705   22.901  250.750   14.760 53.95444 27.24536 
1 1 1    0   18   43 o  146.902   10.898  275.502   39.695  455.942  126.684  255.858   41.800  178.734   29.406  141.219   11.966 37.51491 31.74764 
1 1 1    0   18   44 o  232.485   12.436  693.992   71.935  783.587  170.735  674.654   79.319  232.570   30.105  228.390   13.975 4.179962 33.19002 
1 1 1    0   18   45 o  160.072   11.086  328.658   44.039  386.915  135.612  321.789   46.563  156.645   35.490  158.070   11.883 -1.424973 37.42658 
1 1 1    0   18   46 o   74.907   17.351   76.996   31.818   72.280  128.643   77.304   32.838   84.297   35.599   74.924   17.813 9.372940 39.80646 
1 1 1    0   18   47 o   54.270   13.363   39.698   17.989   0.0000   0.0000   39.698   17.989  ?   ?    54.270   13.363 0.000000 13.36274 
1 1 1    0   19    0 o  153.173   9.6599  294.902   36.760  317.508   61.888  282.578   45.694  158.104   15.890  149.603   12.341 8.501556 20.11989 
1 1 1    0   19    1 o  127.502   11.482  205.334   36.166   0.0000   0.0000  205.334   36.166  ?   ?   127.502   11.482 0.000000 11.48202 
1 1 1    0   19    2 f  293.186   14.394  1078.79  105.387  1078.79  105.387   0.0000   0.0000  293.186   14.394  ?   ?  0.000000 14.39438 
1 1 1    0   19    3 o  281.545   10.230  992.135   71.926  1012.33  103.034  972.939  100.452  283.671   14.594  278.094   14.515 5.577423 20.58371 
1 1 1    0   19    4 o  561.012   25.298  3984.88  354.417  4075.55  503.385  3895.74  499.086  562.320   36.038  549.468   36.582 12.85211 51.35162 
1 1 1    0   19    5 o  288.818   11.460  1044.39   82.650  1318.67  148.061  920.235   99.614  323.320   18.414  270.461   14.805 52.85922 23.62818 
1 1 1    0   19    6 o  311.057   11.441  1211.29   88.873  1229.24  126.642  1193.87  124.751  312.513   16.284  307.973   16.279 4.540253 23.02559 
1 1 1    0   19    7 o  397.786   13.293  1982.54  132.040  2171.81  187.712  1797.17  185.770  415.730   18.081  377.436   19.779 38.29370 26.79788 
1 1 1    0   19    8 o  353.384   11.549  1563.23  101.916  1651.13  145.057  1477.55  143.223  362.756   16.013  343.084   16.717 19.67181 23.14907 
1 1 1    0   19    9 o  524.488   16.765  3452.92  219.579  3560.21  311.168  3346.51  309.898  531.235   23.456  514.897   24.102 16.33752 33.63165 
1 1 1    0   19   10 o  292.973   15.627  1079.60  113.918  1050.40  161.477  1108.54  160.734  287.807   22.651  295.853   21.912 -8.046173 31.51478 
1 1 1    0   19   11 o  736.144   22.785  6831.38  418.860  6835.61  592.664  6827.15  592.051  732.816   32.386  732.368   32.373 0.4472656 45.79163 
1 1 1    0   19   12 o  195.054   9.3428  475.810   45.508  477.743   65.329  473.989   63.428  194.815   13.512  194.083   13.165 0.7314758 18.86518 
1 1 1    0   19   13 o  627.457   19.668  4951.30  308.167  4834.09  435.953  5068.37  435.676  617.627   28.266  632.640   27.578 -15.01324 39.49032 
1 1 1    0   19   14 o  139.524   8.7646  244.374   30.382  251.279   43.398  237.736   42.548  141.111   12.443  137.212   12.557 3.899185 17.67779 
1 1 1    0   19   15 o  551.756   17.458  3823.74  240.541  3868.45  340.318  3779.10  340.035  553.357   24.628  546.858   24.900 6.498535 35.02206 
1 1 1    0   19   16 o  632.109   19.865  5028.69  313.562  4856.32  443.289  5201.31  443.599  618.526   28.700  640.465   27.736 -21.93933 39.91197 
1 1 1    0   19   17 f  415.042   19.744  2168.64  204.639  2095.51  289.551  2241.61  289.254  405.145   28.807  419.413   27.775 -14.26718 40.01637 
1 1 1    0   19   18 o  502.847   15.831  3174.95  198.789  3113.86  280.866  3236.28  281.395  496.528   22.652  506.294   22.257 -9.766144 31.75647 
1 1 1    0   19   19 o  457.543   15.175  2628.34  173.381  2688.07  245.015  2568.43  245.381  461.491   21.261  450.983   21.789 10.50861 30.44278 
1 1 1    0   19   20 o  196.963   9.0212  485.400   44.371  488.423   61.903  482.205   63.633  196.975   12.652  195.653   13.100 1.321152 18.21188 
1 1 1    0   19   21 o  366.845   12.359  1687.47  113.219  1655.64  159.561  1719.75  160.675  362.572   17.623  369.564   17.410 -6.991791 24.77290 
1 1 1    0   19   22 o  271.986   10.563  926.807   71.747  936.936  100.968  916.475  101.971  272.615   14.888  269.556   15.211 3.059204 21.28416 
1 1 1    0   19   23 o  162.948   8.6770  333.296   35.181  349.376   48.954  316.121   50.592  166.471   11.853  158.158   12.923 8.313599 17.53569 
1 1 1    0   19   24 f  305.909   11.514  1174.13   87.953  1274.71  124.053  1072.47  124.718  318.095   15.617  290.999   17.240 27.09680 23.26158 
1 1 1    0   19   25 o  370.612   12.878  1726.43  119.185  1828.36  168.309  1623.90  168.797  380.271   17.724  357.576   18.972 22.69568 25.96270 
1 1 1    0   19   26 o  359.334   12.565  1623.30  112.744  1546.83  159.089  1700.44  159.803  348.969   18.320  366.609   17.455 -17.64017 25.30441 
1 1 1    0   19   27 o  285.131   15.339  1029.11  108.817   0.0000   0.0000  1029.11  108.817  ?   ?   285.131   15.339 0.000000 15.33919 
1 1 1    0   19   28 o  128.807   18.322  214.553   57.273  214.553   57.273   0.0000   0.0000  128.807   18.322  ?   ?  0.000000 18.32223 
1 1 1    0   19   29 o  152.273   10.454  292.471   39.511  277.971   70.697  299.056   47.647  146.499   19.835  153.652   12.527 -7.153564 23.45932 
1 1 1    0   19   30 o  371.779   15.127  1746.50  140.436  1564.62  244.358  1836.20  171.608  345.649   28.566  380.245   18.073 -34.59622 33.80302 
1 1 1    0   19   31 f   95.884   10.540  116.844   24.820  134.907   51.141  111.279   28.388  100.986   20.966   93.202   12.513 7.783669 24.41584 
1 1 1    0   19   32 o  169.933   10.538  364.113   44.496  332.196   82.402  377.251   52.867  159.886   21.158  172.676   12.342 -12.79016 24.49467 
1 1 1    0   19   33 o  177.115   10.713  395.584   47.160  370.711   89.513  405.141   55.485  168.836   21.736  178.935   12.496 -10.09949 25.07178 
1 1 1    0   19   34 o  257.134   12.294  832.625   78.943  733.986  142.086  876.669   94.946  237.395   24.311  263.023   14.512 -25.62772 28.31254 
1 1 1    0   19   35 o  171.794   14.204  375.304   60.387  301.459   93.555  428.045   79.064  150.594   25.806  182.720   17.543 -32.12617 31.20445 
1 1 1    0   19   36 o  130.848   10.525  216.578   34.101  197.841   76.994  221.150   38.035  121.218   26.200  132.039   11.655 -10.82094 28.67496 
1 1 1    0   19   37 o   79.657   11.384   81.465   22.001  122.397   72.350   77.294   23.095   95.606   28.305   77.362   12.371 18.24392 30.89026 
1 1 1    0   19   38 o  230.548   11.618  671.651   66.671  681.219  131.568  668.346   77.336  228.130   23.428  229.487   13.555 -1.357361 27.06653 
1 1 1    0   19   39 f  289.634   13.573  1062.84   98.171  802.703  183.302  1167.47  116.248  242.950   30.914  302.541   15.438 -59.59100 34.55418 
1 1 1    0   19   40 o  129.412   10.251  212.428   32.857  339.549   98.412  196.480   34.857  158.439   25.758  124.201   11.365 34.23848 28.15379 
1 1 1    0   19   41 o  215.056   12.187  588.523   65.177  466.538  139.203  622.774   73.762  181.740   31.832  220.801   13.442 -39.06033 34.55404 
1 1 1    0   19   42 o  135.106   16.654  239.033   54.999   0.0000   0.0000  239.033   54.999  ?   ?   135.106   16.654 0.000000 16.65405 
1 1 1    0   19   43 o   89.321   11.084  102.878   24.193  116.358  103.623  102.101   24.880   92.787   34.085   88.877   11.478 3.910362 35.96616 
1 1 1    0   19   44 o   70.121   12.211   64.612   20.606   4.4040  117.111   66.536   20.932   73.095   32.377   71.181   12.216 1.913757 34.60464 
1 1 1    0   19   45 o  146.480   10.803  275.123   39.236  507.298  141.929  255.911   40.827  183.303   32.180  140.923   11.708 42.38045 34.24382 
1 1 1    0   19   46 f   70.226   12.234   65.117   20.674   36.112  108.795   66.204   21.058   74.665   32.167   70.785   12.363 3.880707 34.46061 
1 1 1    0   20    0 f  635.528   19.554  5115.10  310.324  5449.97  536.937  4947.14  380.266  646.597   33.367  622.534   24.461 24.06335 41.37296 
1 1 1    0   20    1 o  375.690   14.721  1775.34  138.108  1684.42  238.108  1821.44  169.541  362.072   26.519  379.876   17.872 -17.80392 31.97949 
1 1 1    0   20    2 o  290.803   10.852  1059.81   78.808  1140.75  113.037  983.253  109.931  301.193   15.029  279.082   15.839 22.11130 21.83439 
1 1 1    0   20    3 o  360.569   12.963  1631.29  116.723  1711.15  166.250  1553.65  163.916  368.440   18.069  350.453   18.799 17.98782 26.07480 
1 1 1    0   20    4 f  329.902   12.149  1364.41  100.087  1435.22  142.804  1296.05  140.318  337.283   17.010  320.348   17.608 16.93457 24.48211 
1 1 1    0   20    5 o   79.246   9.3590   79.677   18.163  105.943   29.197   63.094   23.199   90.969   13.241   69.706   13.816 21.26314 19.13619 
1 1 1    0   20    6 o  582.831   26.360  4313.93  383.649  4340.77  544.483  4287.46  540.660  578.369   37.909  574.807   37.878 3.561523 53.58953 
1 1 1    0   20    7 o  387.476   13.234  1882.36  128.053  1901.96  181.945  1863.12  180.256  388.683   18.745  384.691   18.764 3.991608 26.52313 
1 1 1    0   20    8 o  172.901   9.2957  375.077   39.988  382.291   58.540  368.766   54.753  174.091   13.573  171.048   12.914 3.042358 18.73466 
1 1 1    0   20    9 o  133.225   8.1726  222.774   27.058  259.816   41.189  194.654   35.887  143.574   11.587  124.122   11.717 19.45177 16.47858 
1 1 1    0   20   10 o  146.198   9.9824  268.696   36.226  270.236   46.396  266.290   57.983  146.296   12.829  144.710   16.331 1.585373 20.76759 
1 1 1    0   20   11 o  517.956   16.100  3368.72  208.238  3533.08  295.278  3206.09  293.716  529.059   22.350  503.734   23.349 25.32571 32.32199 
1 1 1    0   20   12 o  502.165   23.036  3185.15  288.875  3339.08  408.915  3031.80  408.149  510.407   32.248  485.611   33.869 24.79590 46.76615 
1 1 1    0   20   13 o  169.096   8.8587  358.611   37.277  371.451   53.965  346.893   51.553  171.712   12.675  165.925   12.534 5.787033 17.82588 
1 1 1    0   20   14 o  125.833   8.5324  198.934   26.653  183.429   38.872  212.689   36.614  120.262   13.158  129.829   11.409 -9.566414 17.41595 
1 1 1    0   20   15 o  272.509   10.422  929.553   70.920  846.292  100.481  1012.20  100.112  259.153   15.599  284.068   14.113 -24.91495 21.03585 
1 1 1    0   20   16 f  320.890   11.518  1289.78   92.296  1327.38  130.674  1252.35  130.379  325.041   16.099  315.229   16.621 9.812531 23.13982 
1 1 1    0   20   17 o  157.721   9.3984  312.387   36.849  288.461   51.727  337.038   52.505  151.004   13.873  163.444   12.971 -12.44017 18.99193 
1 1 1    0   20   18 o  292.770   13.233  1075.17   96.743  1062.26  167.001  1081.69  118.686  288.700   23.365  292.864   16.293 -4.164795 28.48472 
1 1 1    0   20   19 o  373.767   18.267  1760.63  170.497  1642.61  241.194  1878.50  241.045  358.052   27.178  383.661   25.301 -25.60858 37.13251 
1 1 1    0   20   20 f  635.758   20.117  5107.89  319.377  5296.09  451.608  4919.59  451.727  643.709   28.095  619.841   29.184 23.86835 40.50941 
1 1 1    0   20   21 o  579.000   18.268  4230.77  264.138  4156.55  373.181  4305.28  373.913  570.708   26.185  581.026   25.771 -10.31775 36.73943 
1 1 1    0   20   22 o  112.123   8.2406  158.184   22.911  145.634   31.062  173.160   33.930  107.098   11.811  116.897   11.784 -9.798637 16.68425 
1 1 1    0   20   23 o  401.266   13.298  2023.89  133.253  1979.47  187.863  2068.86  189.039  395.463   19.023  404.381   18.720 -8.917908 26.68954 
1 1 1    0   20   24 o  364.545   12.754  1670.37  116.106  1764.02  163.822  1575.87  164.576  373.515   17.564  352.243   18.778 21.27200 25.71160 
1 1 1    0   20   25 o  262.641   10.499  865.481   68.857  877.269   96.707  853.359   98.063  263.399   14.762  259.678   15.189 3.721252 21.18048 
1 1 1    0   20   26 o  218.116   9.2546  596.409   50.407  536.047   70.334  660.157   72.279  205.835   13.763  228.725   12.705 -22.88992 18.73022 
1 1 1    0   20   27 o  376.605   13.013  1785.77  122.383  1794.93  172.674  1776.53  173.480  376.010   18.390  374.016   18.574 1.994873 26.13778 
1 1 1    0   20   28 o  189.656   10.792  453.237   50.900  440.987   88.364  459.320   62.269  185.199   19.394  190.509   13.170 -5.309937 23.44322 
1 1 1    0   20   29 o  117.247   9.9958  173.785   28.987  160.542   51.011  180.100   35.227  110.837   19.121  119.056   12.013 -8.218956 22.58159 
1 1 1    0   20   30 o  274.007   12.349  945.184   84.500  870.154  147.111  982.127  103.228  259.392   22.948  278.409   14.902 -19.01746 27.36197 
1 1 1    0   20   31 o  402.362   15.901  2049.60  159.772  2106.01  278.255  2021.85  195.148  401.299   27.941  398.199   19.625 3.100189 34.14449 
1 1 1    0   20   32 o  310.751   13.425  1217.86  104.179  1183.73  182.793  1234.28  126.785  302.013   24.447  311.683   16.346 -9.670166 29.40847 
1 1 1    0   20   33 o  375.573   15.411  1784.96  144.535  1464.90  252.055  1941.76  176.422  332.556   30.698  390.744   18.080 -58.18747 35.62680 
1 1 1    0   20   34 o  374.551   15.511  1776.16  145.078  1549.07  254.582  1885.38  176.551  342.211   30.097  384.825   18.372 -42.61435 35.26125 
1 1 1    0   20   35 o  226.292   11.538  646.135   64.982  630.987  120.066  652.411   77.278  220.581   22.094  226.908   13.703 -6.326538 25.99838 
1 1 1    0   20   36 o  157.287   14.248  315.279   55.356  252.153   88.695  355.559   70.849  136.921   26.900  166.348   17.309 -29.42735 31.98769 
1 1 1    0   20   37 o   97.426   15.584  123.290   36.636  106.009   71.083  129.541   42.752   89.875   28.344   99.372   17.886 -9.496864 33.51518 
1 1 1    0   20   38 o  236.563   11.913  707.757   70.148  687.658  134.979  715.194   82.107  228.804   23.980  237.258   13.919 -8.453110 27.72723 
1 1 1    0   20   39 o  130.432   10.437  215.677   33.710  207.671   87.019  217.090   36.565  122.526   28.907  130.690   11.316 -8.163643 31.04332 
1 1 1    0   20   40 o  135.771   10.778  234.152   36.242  226.374   97.080  235.411   39.067  126.607   30.963  135.951   11.619 -9.343712 33.07121 
1 1 1    0   20   41 o   69.442   12.124   62.895   20.259 -38.3649   86.266   68.805   20.842   58.877   26.782   72.763   11.880 -13.88552 29.29910 
1 1 1    0   20   42 o  250.326   11.694  796.361   73.099  970.918  154.267  745.820   83.009  268.780   23.212  241.037   13.849 27.74301 27.02924 
1 1 1    0   20   43 o   85.066   16.303   96.775   33.372   0.0000   0.0000   96.775   33.372  ?   ?    85.066   16.303 0.000000 16.30330 
1 1 1    0   20   44 o   41.910   14.419   20.982   18.262   0.0000   0.0000   20.982   18.262  ?   ?    41.910   14.419 0.000000 14.41934 
1 1 1    0   20   45 o  145.629   11.250  272.631   40.595  303.449  139.084  269.762   42.443  134.502   39.083  144.629   11.856 -10.12720 40.84180 
1 1 1    0   20   46 o   81.174   11.832   86.245   23.279   0.0000   0.0000   86.245   23.279  ?   ?    81.174   11.832 0.000000 11.83208 
1 1 1    0   21    0 o   94.854   12.170  114.951   28.162   0.0000   0.0000  114.951   28.162  ?   ?    94.854   12.170 0.000000 12.16979 
1 1 1    0   21    1 o  209.834   18.898  562.634   97.962  562.634   97.962   0.0000   0.0000  209.834   18.898  ?   ?  0.000000 18.89800 
1 1 1    0   21    2 o  166.844   12.910  351.953   53.368  389.332   73.305  309.801   77.846  174.769   17.012  154.903   20.638 19.86630 26.74585 
1 1 1    0   21    3 o  193.944   9.6521  471.281   46.746  500.612   68.373  445.536   64.057  199.054   13.841  187.745   13.759 11.30949 19.51616 
1 1 1    0   21    4 o  158.501   8.5434  315.385   33.691  359.796   50.462  279.669   45.254  168.905   12.043  148.771   12.291 20.13388 17.20758 
1 1 1    0   21    5 o  240.066   10.335  722.105   61.955  701.204   89.380  741.435   85.954  235.598   15.274  242.466   14.259 -6.867935 20.89546 
1 1 1    0   21    6 o  254.264   10.234  809.844   64.979  859.796   93.718  763.600   90.173  261.181   14.425  246.037   14.745 15.14339 20.62722 
1 1 1    0   21    7 o  442.685   14.498  2462.15  160.274  2616.09  227.805  2311.27  225.536  455.027   20.048  427.417   21.131 27.61029 29.12792 
1 1 1    0   21    8 o  511.024   23.157  3310.73  295.512  3466.65  420.298  3158.30  415.576  518.135   32.651  493.825   33.905 24.30957 47.07034 
1 1 1    0   21    9 o  326.195   11.705  1333.61   95.348  1454.38  136.143  1217.35  133.577  340.080   16.031  310.485   17.297 29.59494 23.58350 
1 1 1    0   21   10 o  463.586   15.194  2700.27  175.900  2688.82  249.486  2711.59  248.040  461.114   21.666  463.121   21.448 -2.006592 30.48654 
1 1 1    0   21   11 o  887.011   27.115 10018.57  600.615 10349.52  850.225  9688.91  848.574  893.103   38.123  863.045   39.374 30.05853 54.80522 
1 1 1    0   21   12 o  355.201   12.489  1581.93  110.780  1619.89  157.538  1544.80  155.810  358.702   17.587  349.793   17.897 8.908691 25.09252 
1 1 1    0   21   13 o  172.309   12.573  374.253   53.727  470.910   76.607  280.692   75.370  192.880   16.051  147.627   21.040 45.25360 26.46340 
1 1 1    0   21   14 o  445.544   14.818  2493.49  164.861  2526.71  233.747  2460.60  232.554  447.174   20.932  441.241   21.106 5.932800 29.72555 
1 1 1    0   21   15 o  401.363   13.756  2022.04  137.874  1998.21  195.314  2045.71  194.652  397.901   19.657  402.666   19.358 -4.765869 27.58842 
1 1 1    0   21   16 o  265.676   10.326  884.007   68.505  926.973   97.194  841.591   96.571  271.288   14.398  258.352   15.034 12.93658 20.81653 
1 1 1    0   21   17 o  232.195   10.343  675.328   59.973  640.231   84.898  710.288   84.732  225.165   15.188  237.351   14.363 -12.18633 20.90395 
1 1 1    0   21   18 o  379.592   13.300  1809.07  126.075  1811.84  178.297  1806.31  178.296  378.830   18.847  378.246   18.876 0.5848083 26.67462 
1 1 1    0   21   19 o  145.751   8.9002  266.921   32.239  263.307   45.234  270.651   45.959  144.288   12.683  146.297   12.706 -2.008881 17.95285 
1 1 1    0   21   20 o  604.418   27.114  4678.87  409.250  4205.52  578.254  5153.91  579.280  562.413   41.465  626.528   37.192 -64.11487 55.70115 
1 1 1    0   21   21 o  166.880   12.091  351.424   50.045  305.234   71.017  396.987   70.533  154.235   18.830  176.732   16.161 -22.49786 24.81371 
1 1 1    0   21   22 o  234.467   9.4891  688.888   55.559  710.556   77.813  666.352   79.355  237.371   13.179  229.717   13.899 7.654480 19.15377 
1 1 1    0   21   23 o  189.253   8.8942  448.725   42.034  429.068   58.351  469.928   60.603  184.302   12.757  192.935   12.649 -8.633057 17.96458 
1 1 1    0   21   24 o  171.754   8.9798  370.686   38.381  382.060   53.222  358.362   55.400  173.894   12.336  168.223   13.296 5.670593 18.13766 
1 1 1    0   21   25 o  279.465   10.464  980.330   73.027  913.420  102.250  1049.99  104.333  268.531   15.312  288.161   14.546 -19.62985 21.11937 
1 1 1    0   21   26 o  387.498   15.214  1896.84  147.217  1916.55  253.842  1886.85  180.713  384.116   26.628  385.307   18.782 -1.191040 32.58530 
1 1 1    0   21   27 o  290.301   15.573  1068.57  112.485  1068.57  112.485   0.0000   0.0000  290.301   15.573  ?   ?  0.000000 15.57345 
1 1 1    0   21   28 o  315.466   11.659  1251.68   91.847  1239.59  129.240  1264.03  130.553  312.343   16.630  315.414   16.634 -3.070374 23.52085 
1 1 1    0   21   29 o  105.917   10.142  142.133   26.498   97.706   45.459  164.997   32.611   85.741   21.321  113.953   11.623 -28.21222 24.28355 
1 1 1    0   21   30 o  215.769   11.596  587.334   62.251  605.403  108.477  578.462   76.014  216.833   20.269  213.550   14.337 3.283600 24.82708 
1 1 1    0   21   31 o  272.708   12.366  936.642   84.212  1071.11  146.905  870.826  102.775  288.788   20.504  261.787   15.795 27.00165 25.88253 
1 1 1    0   21   32 o  194.619   10.738  477.477   51.986  571.589   93.690  435.611   62.488  211.301   17.925  185.320   13.598 25.98163 22.49880 
1 1 1    0   21   33 o  259.869   12.071  850.386   78.333  907.734  139.357  823.898   94.711  265.383   21.205  254.795   14.951 10.58713 25.94608 
1 1 1    0   21   34 o  139.627   10.402  246.330   36.008  266.885   69.509  238.790   42.097  143.219   19.979  137.111   12.430 6.107986 23.53045 
1 1 1    0   21   35 o  112.463   10.478  160.346   29.087  250.164   64.718  137.611   32.560  138.750   19.192  103.685   12.851 35.06514 23.09749 
1 1 1    0   21   36 o  208.911   11.109  550.817   57.748  586.214  110.023  537.358   67.844  212.716   20.986  205.867   13.268 6.848602 24.82825 
1 1 1    0   21   37 o  142.262   14.180  258.663   49.705  227.438   83.005  276.119   62.062  129.714   26.520  146.228   17.333 -16.51347 31.68225 
1 1 1    0   21   38 o  251.445   16.044  808.125  100.214  710.250  149.673  887.657  134.921  231.124   26.407  261.550   20.830 -30.42653 33.63338 
1 1 1    0   21   39 o   38.290   13.151   17.006   15.187  119.298   68.452   11.711   15.575   93.590   27.483   35.084   13.152 58.50643 30.46758 
1 1 1    0   21   40 o  185.848   10.797  437.757   49.890  465.820  108.682  430.264   56.157  186.605   23.870  183.838   12.304 2.766556 26.85426 
1 1 1    0   21   41 f   75.833   12.304   74.841   22.501   75.730   84.517   74.773   23.344   81.137   30.594   75.678   12.810 5.459175 33.16706 
1 1 1    0   21   42 o  138.491   9.7244  243.690   33.417  372.302   97.717  226.657   35.561  164.755   24.496  133.272   10.778 31.48315 26.76249 
1 1 1    0   21   43 o  189.083   11.556  457.295   54.302  395.033  125.884  471.529   60.189  163.518   31.974  191.564   12.653 -28.04604 34.38698 
1 1 1    0   21   44 o   95.404   10.626  117.237   24.886  149.968  109.006  115.438   25.561   99.805   35.174   94.548   11.033 5.256775 36.86346 
1 1 1    0   21   45 o  111.623   16.351  166.441   44.227   0.0000   0.0000  166.441   44.227  ?   ?   111.623   16.351 0.000000 16.35135 
1 1 1    0   22    0 o  213.271   19.060  584.738  100.438  584.738  100.438   0.0000   0.0000  213.271   19.060  ?   ?  0.000000 19.05966 
1 1 1    0   22    1 o   35.737   12.248   14.699   13.172   22.455   22.766   10.796   16.149   45.227   16.060   35.019   13.332 10.20833 20.87274 
1 1 1    0   22    2 o  213.521   11.057  574.342   58.753  623.115  101.105  549.474   72.194  220.717   18.515  208.281   13.961 12.43596 23.18865 
1 1 1    0   22    3 o  199.330   9.4292  498.200   46.935  475.236   69.175  517.791   63.892  193.618   14.410  202.475   12.701 -8.856796 19.20849 
1 1 1    0   22    4 o  337.441   17.260  1444.16  144.957  1445.18  204.282  1443.13  205.727  334.909   24.598  334.585   24.799 0.3243408 34.92942 
1 1 1    0   22    5 o  199.171   8.7302  496.880   43.421  566.535   64.266  438.374   58.898  212.011   12.190  186.320   12.735 25.69109 17.62889 
1 1 1    0   22    6 f  184.474   9.1122  426.295   41.977  491.414   62.267  372.049   56.832  197.359   12.702  171.505   13.375 25.85300 18.44561 
1 1 1    0   22    7 o  325.284   11.429  1327.62   92.838  1517.33  133.130  1148.04  129.530  347.066   15.361  301.056   17.302 46.00940 23.13703 
1 1 1    0   22    8 o  382.646   12.674  1838.76  121.108  2030.55  172.853  1653.82  169.734  401.123   17.256  361.153   18.886 39.97006 25.58246 
1 1 1    0   22    9 o  261.489   14.101  862.120   91.737  962.537  134.925  775.790  125.104  275.097   19.772  246.649   20.497 28.44817 28.47949 
1 1 1    0   22   10 o  438.920   14.642  2423.00  160.487  2457.87  227.940  2388.71  226.000  440.467   20.723  434.190   20.844 6.277679 29.39241 
1 1 1    0   22   11 o  425.645   14.199  2277.42  150.920  2340.47  214.443  2215.53  212.438  430.088   19.967  418.348   20.335 11.73959 28.49870 
1 1 1    0   22   12 o  391.053   13.559  1921.06  132.408  1904.79  188.016  1937.06  186.500  388.161   19.397  391.516   19.076 -3.354065 27.20510 
1 1 1    0   22   13 o  260.626   10.110  851.000   65.799  897.259   94.325  807.153   91.832  266.805   14.209  252.946   14.600 13.85884 20.37297 
1 1 1    0   22   14 o  384.531   13.289  1857.16  127.610  1847.42  181.085  1866.77  179.857  382.355   18.966  384.408   18.736 -2.052856 26.65971 
1 1 1    0   22   15 o  515.798   23.779  3385.90  306.289  3613.74  433.407  3158.57  432.911  527.312   33.081  491.388   35.519 35.92413 48.53825 
1 1 1    0   22   16 f  108.046   8.6746  147.079   23.208  151.911   34.529  143.097   31.343  109.239   12.907  106.115   12.041 3.123573 17.65184 
1 1 1    0   22   17 o  257.583   10.821  831.919   69.604  737.846   98.367  926.250   98.502  241.383   16.417  270.942   14.613 -29.55927 21.97790 
1 1 1    0   22   18 o  345.691   12.398  1500.68  107.024  1495.69  151.425  1505.65  151.284  343.657   17.705  344.823   17.628 -1.166260 24.98425 
1 1 1    0   22   19 o  197.406   9.2731  488.207   45.713  494.406   64.433  481.923   64.864  197.898   13.112  195.329   13.379 2.569260 18.73290 
1 1 1    0   22   20 o  274.484   10.622  945.087   72.810  914.115  102.731  976.349  103.210  268.843   15.366  277.971   14.923 -9.127747 21.41987 
1 1 1    0   22   21 o  249.380   9.8920  779.807   61.602  734.585   86.589  826.150   87.657  241.042   14.452  255.813   13.773 -14.77164 19.96365 
1 1 1    0   22   22 o  164.614   11.809  342.222   48.220  375.777   68.947  310.097   67.462  171.701   16.275  155.523   17.685 16.17711 24.03389 
1 1 1    0   22   23 o  145.739   11.734  268.654   42.341  225.947   60.076  310.806   59.685  132.165   18.726  156.126   15.514 -23.96060 24.31804 
1 1 1    0   22   24 o  211.887   9.7364  563.256   51.517  625.993   71.750  496.493   74.016  222.597   12.964  197.714   15.105 24.88319 19.90569 
1 1 1    0   22   25 o  403.918   20.844  2088.77  209.531   0.0000   0.0000  2088.77  209.531  ?   ?   403.918   20.844 0.000000 20.84424 
1 1 1    0   22   26 o  255.905   14.210  829.069   90.450  829.069   90.450   0.0000   0.0000  255.905   14.210  ?   ?  0.000000 14.20996 
1 1 1    0   22   27 o  163.816   9.0352  337.593   36.818  348.045   50.683  325.915   53.575  165.815   12.328  160.201   13.518 5.613724 18.29572 
1 1 1    0   22   28 o  123.724   8.5084  192.809   26.128  185.944   35.324  201.103   38.825  120.991   11.843  125.748   12.531 -4.757080 17.24202 
1 1 1    0   22   29 o  305.725   11.818  1176.38   90.228  1310.45  127.086  1040.13  128.122  321.664   15.821  285.423   18.069 36.24088 24.01672 
1 1 1    0   22   30 o  116.846   9.8606  172.632   28.503  124.316   47.989  198.966   35.429   96.872   20.478  125.247   11.455 -28.37555 23.46430 
1 1 1    0   22   31 o  106.473   10.591  143.855   27.785  121.302   48.235  155.055   33.991   95.598   20.797  110.234   12.573 -14.63541 24.30193 
1 1 1    0   22   32 o  133.615   10.560  225.757   34.948  218.139   62.205  229.270   42.245  129.270   19.909  134.274   12.752 -5.003357 23.64255 
1 1 1    0   22   33 o  236.499   11.658  704.112   68.851  739.163  121.100  687.369   83.695  239.491   20.445  232.726   14.473 6.764618 25.04916 
1 1 1    0   22   34 o  223.097   11.535  628.233   64.045  616.820  116.450  633.183   76.685  218.121   21.666  223.458   13.810 -5.337082 25.69305 
1 1 1    0   22   35 o   78.070   12.568   78.755   23.670  123.049   55.498   68.906   26.170   95.755   23.407   72.477   14.955 23.27752 27.77649 
1 1 1    0   22   36 o  159.525   10.614  321.555   42.040  342.285   82.834  314.362   48.791  161.946   20.976  157.356   12.520 4.589951 24.42811 
1 1 1    0   22   37 o  175.685   11.099  390.370   48.445  303.523   94.457  421.369   56.433  150.343   26.107  182.255   12.474 -31.91180 28.93380 
1 1 1    0   22   38 o  167.065   10.347  352.843   42.956  422.314   89.868  332.270   48.904  179.866   20.367  161.709   12.200 18.15643 23.74161 
1 1 1    0   22   39 o  142.856   14.867  262.664   52.259  211.265   90.961  287.989   63.848  122.798   29.934  148.828   17.515 -26.03001 34.68182 
1 1 1    0   22   40 o  104.471   15.481  142.531   39.165  141.943   78.373  142.726   45.216  100.680   29.362  103.756   18.110 -3.075493 34.49802 
1 1 1    0   22   41 o   68.610   12.244   61.565   20.209   31.060   78.356   63.739   20.916   68.555   28.276   69.790   12.459 -1.235001 30.89886 
1 1 1    0   22   42 o   63.748   12.681   53.623   19.477   58.643   83.643   53.336   20.027   75.804   29.927   63.489   13.067 12.31419 32.65544 
1 1 1    0   22   43 o  167.591   10.866  358.818   45.229  244.058  109.369  382.493   49.676  126.086   33.971  172.791   11.580 -46.70509 35.89051 
1 1 1    0   22   44 o  130.965   10.870  220.138   35.229  180.545  110.088  224.656   37.185  107.291   35.396  132.141   11.380 -24.84942 37.18051 
1 1 1    0   22   45 o  120.651   11.805  188.373   35.112   0.0000   0.0000  188.373   35.112  ?   ?   120.651   11.805 0.000000 11.80522 
1 1 1    0   23    0 o  153.049   17.060  302.222   64.093   0.0000   0.0000  302.222   64.093  ?   ?   153.049   17.060 0.000000 17.06026 
1 1 1    0   23    1 o  151.235   9.6604  288.576   36.293  344.569   62.257  259.751   44.669  164.098   15.372  142.902   12.648 21.19563 19.90648 
1 1 1    0   23    2 o  171.089   10.083  369.139   42.889  361.670   73.588  372.982   52.780  167.584   17.859  171.549   12.404 -3.965286 21.74450 
1 1 1    0   23    3 f   60.566   12.083   47.812   17.633   36.868   30.904   53.095   21.472   55.556   18.763   63.630   13.902 -8.074120 23.35167 
1 1 1    0   23    4 o  283.251   11.013  1008.64   77.896  1064.26  112.462  957.350  107.998  289.558   15.611  274.526   15.821 15.03201 22.22588 
1 1 1    0   23    5 o  307.739   16.348  1202.50  125.180  1372.29  176.913  1032.24  177.150  326.742   21.807  281.684   25.459 45.05872 33.52235 
1 1 1    0   23    6 o  271.408   10.583  924.913   71.726  972.879  103.792  881.068   99.234  277.170   15.052  263.708   15.132 13.46124 21.34381 
1 1 1    0   23    7 o  255.585   10.164  819.646   64.873  891.683   94.316  754.962   89.373  265.575   14.274  244.205   14.724 21.36934 20.50731 
1 1 1    0   23    8 o  207.464   10.163  539.946   52.651  541.815   76.791  538.288   72.329  206.732   14.976  206.225   14.130 0.5070801 20.59004 
1 1 1    0   23    9 o   71.865   10.664   66.199   18.558   72.154   32.185   63.233   22.713   74.054   17.654   69.716   13.535 4.337189 22.24491 
1 1 1    0   23   10 f  353.026   12.516  1566.51  110.334  1638.70  157.480  1496.92  154.629  359.920   17.521  343.395   18.096 16.52530 25.18864 
1 1 1    0   23   11 o  321.619   18.044  1313.08  144.334  1073.94  206.652  1540.86  201.678  286.853   29.258  346.589   23.440 -59.73633 37.48977 
1 1 1    0   23   12 o  146.411   9.0159  269.558   32.803  252.767   49.254  282.943   43.975  141.004   14.180  149.639   11.866 -8.635162 18.48979 
1 1 1    0   23   13 f  332.254   11.994  1386.52   99.513  1410.69  141.790  1363.05  139.698  333.711   17.072  328.001   17.115 5.710205 24.17361 
1 1 1    0   23   14 o  409.519   13.944  2110.77  142.598  2102.88  202.403  2118.54  200.934  407.073   19.911  408.660   19.690 -1.586212 28.00238 
1 1 1    0   23   15 o  426.052   14.293  2285.79  152.063  2311.97  215.634  2259.88  214.470  426.676   20.238  421.799   20.362 4.877319 28.70834 
1 1 1    0   23   16 o  338.807   11.559  1441.40   97.797  1539.53  138.931  1345.01  137.688  349.265   15.929  325.793   16.983 23.47192 23.28422 
1 1 1    0   23   17 o  370.599   18.489  1740.38  171.110  1858.24  241.626  1621.82  242.348  379.595   25.641  353.589   27.667 26.00574 37.72153 
1 1 1    0   23   18 o  192.185   9.2188  462.925   44.243  425.743   62.873  499.397   62.270  183.363   13.833  198.894   12.602 -15.53110 18.71283 
1 1 1    0   23   19 o  358.723   12.854  1619.04  115.149  1761.70  163.005  1476.94  162.688  372.983   17.501  340.512   19.211 32.47162 25.98733 
1 1 1    0   23   20 f  198.661   9.3959  494.867   46.612  483.526   65.587  506.442   66.257  195.476   13.519  200.110   13.336 -4.634018 18.98964 
1 1 1    0   23   21 o  146.107   8.3677  268.340   30.403  269.071   42.587  267.581   43.417  145.825   11.796  145.373   12.069 0.4518127 16.87617 
1 1 1    0   23   22 o  171.976   8.9958  371.834   38.499  329.749   53.631  416.575   55.298  161.211   13.445  181.543   12.270 -20.33215 18.20176 
1 1 1    0   23   23 o  148.151   8.7802  276.139   32.339  260.777   44.769  292.900   46.764  143.363   12.634  152.037   12.426 -8.674072 17.72066 
1 1 1    0   23   24 o   77.978   12.354   78.397   23.255   48.867   34.007  104.338   31.873   62.217   19.603   89.745   14.734 -27.52759 24.52238 
1 1 1    0   23   25 o  157.252   12.031  313.054   46.884  270.951   66.697  354.178   65.918  144.707   18.909  166.477   16.055 -21.77023 24.80603 
1 1 1    0   23   26 o   85.963   9.4645   93.848   19.980  105.113   26.387   78.708   30.590   90.616   11.953   77.390   16.341 13.22611 20.24598 
1 1 1    0   23   27 o  316.492   11.434  1260.24   90.367  1257.54  126.673  1263.03  128.954  314.564   16.181  315.161   16.442 -0.5973206 23.06860 
1 1 1    0   23   28 f  317.438   11.546  1268.09   91.522  1265.56  128.340  1270.72  130.552  315.481   16.347  316.035   16.601 -0.5538330 23.29789 
1 1 1    0   23   29 o  144.567   8.8459  263.141   31.781  269.626   43.177  255.473   46.951  145.851   11.960  141.664   13.432 4.186691 17.98526 
1 1 1    0   23   30 f  288.626   11.185  1047.98   80.613  1100.54  113.064  993.628  114.967  294.397   15.433  279.336   16.555 15.06064 22.63326 
1 1 1    0   23   31 o  117.408   10.279  174.519   29.833  151.134   49.615  187.762   37.337  107.298   19.223  121.432   12.491 -14.13395 22.92497 
1 1 1    0   23   32 o  430.358   17.176  2354.60  184.591  2489.69  319.372  2286.83  226.200  434.081   29.640  421.453   21.565 12.62772 36.65493 
1 1 1    0   23   33 o  128.662   10.625  209.548   33.833  237.567   59.775  196.341   41.039  135.416   18.132  123.987   13.472 11.42926 22.58855 
1 1 1    0   23   34 o  156.505   10.440  309.330   40.569  336.098   72.839  297.292   48.848  161.328   18.410  152.954   12.910 8.374283 22.48502 
1 1 1    0   23   35 o  158.394   10.493  316.933   41.268  364.930   76.171  296.991   49.099  168.104   18.448  152.828   12.988 15.27673 22.56187 
1 1 1    0   23   36 f  118.333   10.970  177.814   32.048  161.297   65.155  183.085   36.808  109.334   24.474  119.797   12.488 -10.46296 27.47567 
1 1 1    0   23   37 o  142.729   10.980  258.225   38.836  146.702   76.009  297.625   45.179  103.447   28.509  153.099   11.911 -49.65192 30.89694 
1 1 1    0   23   38 o   69.255   13.127   62.717   21.871   50.659   60.132   64.555   23.479   69.176   25.860   70.136   13.897 -0.9598083 29.35785 
1 1 1    0   23   39 o  152.337   10.956  294.675   41.400  221.916   85.462  316.984   47.324  126.397   27.829  157.743   12.106 -31.34620 30.34858 
1 1 1    0   23   40 o   81.603   16.961   88.812   33.434   96.965   70.819   86.474   37.927   85.286   28.402   80.025   19.220 5.261032 34.29421 
1 1 1    0   23   41 f  103.586   15.468  140.879   38.785  156.266   76.425  135.541   45.012  104.587   28.490  100.526   18.616 4.061501 34.03275 
1 1 1    0   23   42 o   31.220   11.973   8.5611   13.083  116.488   78.779   5.5000   13.268   90.789   29.942   29.496   11.829 61.29318 32.19413 
1 1 1    0   23   43 o   58.011   12.521   44.704   17.607   65.192   82.926   43.737   18.018   76.305   29.901   57.300   12.903 19.00501 32.56575 
1 1 1    0   23   44 o  113.493   10.443  165.411   29.264  191.470   96.326  162.761   30.716  111.110   32.594  112.376   11.090 -1.266197 34.42934 
1 1 1    0   23   45 o  105.222   10.143  142.344   26.322   0.0000   0.0000  142.344   26.322  ?   ?   105.222   10.143 0.000000 10.14321 
1 1 1    0   24    0 o  327.695   13.741  1362.60  112.441  1618.39  194.456  1234.12  137.817  351.990   22.237  309.670   17.898 42.31946 28.54536 
1 1 1    0   24    1 o  149.080   9.5972  280.727   35.539  256.346   60.186  293.777   44.035  140.521   17.533  152.108   11.682 -11.58710 21.06859 
1 1 1    0   24    2 o  241.835   20.291  758.377  121.404   0.0000   0.0000  758.377  121.404  ?   ?   241.835   20.291 0.000000 20.29058 
1 1 1    0   24    3 o   89.466   10.260  102.002   22.508  197.793   39.464   55.820   27.402  124.461   12.884   64.981   16.773 59.48009 21.14992 
1 1 1    0   24    4 o  283.896   10.639  1014.28   75.422  1072.54  109.551  961.777  103.992  290.389   15.160  274.930   15.206 15.45905 21.47204 
1 1 1    0   24    5 o  381.755   13.254  1840.79  126.352  1925.63  180.638  1759.53  176.801  388.284   18.630  370.457   19.177 17.82697 26.73643 
1 1 1    0   24    6 o  265.915   10.932  889.514   72.592  962.222  105.477  824.085  100.058  275.148   15.413  254.446   15.826 20.70224 22.09105 
1 1 1    0   24    7 o  226.153   13.790  648.177   77.509  838.057  110.012  461.021  109.220  256.239   17.294  187.642   23.848 68.59721 29.45821 
1 1 1    0   24    8 o  389.770   13.108  1915.58  127.581  2151.96  182.440  1689.35  178.478  411.446   17.756  363.288   19.748 48.15808 26.55686 
1 1 1    0   24    9 o  292.337   11.438  1074.78   83.497  1120.92  120.102  1031.62  116.162  297.038   16.253  284.879   16.398 12.15796 23.08803 
1 1 1    0   24   10 o  322.688   11.605  1309.52   93.512  1402.56  134.160  1221.60  130.412  332.840   16.141  309.981   16.911 22.85880 23.37793 
1 1 1    0   24   11 o  224.610   9.7790  633.066   54.850  685.474   79.959  586.487   75.382  232.748   13.819  215.164   14.108 17.58366 19.74844 
1 1 1    0   24   12 o  326.009   11.743  1336.44   95.603  1475.54  136.868  1203.92  133.597  341.511   16.049  307.642   17.462 33.86899 23.71687 
1 1 1    0   24   13 o  258.996   15.786  851.193  101.608  733.569  147.453  957.549  140.212  237.351   25.266  273.230   20.703 -35.87920 32.66525 
1 1 1    0   24   14 o  259.747   10.114  846.779   65.601  942.043   94.358  757.656   91.266  273.002   13.887  244.493   15.021 28.50961 20.45659 
1 1 1    0   24   15 o  235.986   10.239  699.045   60.339  701.523   86.603  696.708   84.117  235.272   14.816  234.549   14.431 0.7230988 20.68294 
1 1 1    0   24   16 o  114.531   9.5998  165.697   27.203  135.706   40.642  190.039   36.614  102.309   16.466  122.319   12.147 -20.01014 20.46211 
1 1 1    0   24   17 o  290.924   11.201  1063.67   81.373  1087.56  115.686  1040.28  114.480  292.802   15.881  286.292   16.078 6.509674 22.59903 
1 1 1    0   24   18 o   83.534   15.793   91.086   31.737  106.211   40.860   68.085   50.390   89.775   18.827   73.708   23.930 16.06728 30.44813 
1 1 1    0   24   19 o  304.495   16.627  1178.32  125.952  1401.20  177.452  952.034  178.802  330.181   21.641  269.716   26.906 60.46494 34.52958 
1 1 1    0   24   20 o  240.532   10.594  726.873   63.632  740.683   90.144  713.157   89.834  241.607   15.015  236.995   15.260 4.611877 21.40879 
1 1 1    0   24   21 o   90.413   8.8223  103.479   19.665  132.855   28.353   76.248   27.298  102.173   11.302   76.405   14.842 25.76838 18.65540 
1 1 1    0   24   22 o  183.000   8.3889  419.845   38.336  404.406   53.614  435.996   54.838  178.819   12.077  185.738   11.885 -6.919296 16.94459 
1 1 1    0   24   23 o   78.173   9.7557   77.900   18.630   59.618   25.916   97.447   26.799   67.292   15.708   87.044   12.703 -19.75191 20.20211 
1 1 1    0   24   24 o  107.864   10.192  147.446   27.128  166.061   45.101  136.893   33.957  113.301   16.419  103.305   13.485 9.996361 21.24672 
1 1 1    0   24   25 o  237.759   13.851  716.331   81.880  716.331   81.880   0.0000   0.0000  237.759   13.851  ?   ?  0.000000 13.85092 
1 1 1    0   24   26 f  212.862   12.949  573.574   68.504  638.260   97.609  510.787   96.165  223.324   17.646  199.045   19.601 24.27844 26.37445 
1 1 1    0   24   27 o  230.497   13.755  673.395   78.812  530.110  111.537  816.268  111.377  201.792   22.518  252.653   17.766 -50.86179 28.68297 
1 1 1    0   24   28 o  105.889   8.9868  141.697   23.539  145.331   31.307  136.970   35.702  106.767   11.947  103.156   14.239 3.611671 18.58740 
1 1 1    0   24   29 o  159.437   8.9563  319.973   35.515  344.062   48.300  291.622   52.400  164.873   11.810  151.277   14.031 13.59583 18.33925 
1 1 1    0   24   30 o  103.608   8.5349  135.546   21.886  130.454   28.605  142.736   33.989  101.156   11.530  105.554   13.182 -4.397255 17.51306 
1 1 1    0   24   31 o  148.953   8.9566  279.423   33.160  250.104   44.873  314.696   49.219  140.207   12.963  157.474   12.622 -17.26704 18.09335 
1 1 1    0   24   32 o  407.292   16.789  2108.93  170.759  2339.22  294.971  1992.84  209.419  421.365   28.196  393.205   21.408 28.16080 35.40229 
1 1 1    0   24   33 o  292.578   13.279  1081.28   97.020  1099.18  166.751  1072.11  119.289  290.771   23.157  289.971   16.542 0.8002625 28.45873 
1 1 1    0   24   34 o  100.622   10.908  128.898   26.970  147.749   46.583  119.394   33.077  106.188   18.224   96.137   14.206 10.05056 23.10635 
1 1 1    0   24   35 o  128.879   10.550  210.399   33.655  155.159   59.907  235.873   40.682  107.565   22.999  136.217   12.085 -28.65244 25.98097 
1 1 1    0   24   36 o  114.197   11.087  165.860   31.219   86.188   58.702  197.281   36.864   81.289   25.770  124.455   12.011 -43.16570 28.43187 
1 1 1    0   24   37 o  161.604   10.818  330.715   43.406  291.060   81.130  346.619   51.378  148.039   22.668  165.066   12.559 -17.02713 25.91408 
1 1 1    0   24   38 o   67.536   13.357   59.856   21.729   22.360   50.828   68.241   24.037   57.266   23.086   72.120   13.850 -14.85418 26.92208 
1 1 1    0   24   39 o  120.944   10.658  186.243   31.862  259.032   75.664  170.555   35.128  138.772   22.613  115.295   12.396 23.47682 25.78757 
1 1 1    0   24   40 o  148.307   10.847  280.005   39.892  215.631   82.771  299.481   45.528  123.756   27.497  153.080   12.006 -29.32384 30.00418 
1 1 1    0   24   41 o  104.672   10.488  140.223   27.045  197.253   72.113  130.889   29.175  118.711   25.110  100.757   11.820 17.95351 27.75292 
1 1 1    0   24   42 o   47.247   17.173   24.803   26.203 -51.7885   65.016   39.657   28.632   47.333   22.131   55.501   18.039 -8.168114 28.55166 
1 1 1    0   24   43 o  105.965   15.720  149.074   40.336  191.861   84.220  136.338   45.949  113.398   29.471   99.894   19.116 13.50340 35.12793 
1 1 1    0   24   44 o  124.531   18.360  209.803   55.381   0.0000   0.0000  209.803   55.381  ?   ?   124.531   18.360 0.000000 18.35971 
1 1 1    0   25    0 o  239.025   11.234  722.046   67.055  686.491  115.012  740.355   82.533  229.174   20.307  240.938   13.775 -11.76392 24.53815 
1 1 1    0   25    1 o  190.098   10.490  457.150   49.604  756.680   86.191  308.807   60.656  243.506   14.236  154.697   15.929 88.80858 21.36381 
1 1 1    0   25    2 o  410.934   16.263  2158.08  166.888  2328.54  289.107  2072.90  204.378  416.873   27.933  399.543   20.554 17.33038 34.68038 
1 1 1    0   25    3 o  126.693   12.062  204.667   37.700  207.988   55.955  201.907   51.019  126.077   18.308  124.625   16.824 1.452431 24.86394 
1 1 1    0   25    4 o  249.929   14.881  796.738   92.454   0.0000   0.0000  796.738   92.454  ?   ?   249.929   14.881 0.000000 14.88096 
1 1 1    0   25    5 f  357.313   12.878  1614.90  114.906  1738.11  165.215  1499.47  159.916  368.461   17.956  341.340   18.834 27.12131 26.02170 
1 1 1    0   25    6 o  258.354   10.595  840.448   68.355  910.938  100.118  778.901   93.552  267.429   15.053  247.168   15.231 20.26103 21.41440 
1 1 1    0   25    7 o  139.758   9.1832  246.406   31.871  282.627   50.255  222.036   41.221  148.846   13.673  132.004   12.660 16.84164 18.63438 
1 1 1    0   25    8 o  192.355   13.124  469.617   62.665  562.841   89.157  378.599   88.095  209.508   17.193  170.311   21.170 39.19623 27.27242 
1 1 1    0   25    9 o  324.197   12.190  1325.45   98.690  1303.39  142.270  1345.92  137.016  319.187   17.922  324.775   16.953 -5.587311 24.66957 
1 1 1    0   25   10 o  282.424   10.752  1003.45   75.832  1074.92  109.711  938.066  104.934  290.857   15.157  271.540   15.540 19.31729 21.70779 
1 1 1    0   25   11 o  480.128   15.799  2924.07  189.420  3052.48  269.349  2798.44  266.436  486.886   22.153  465.695   22.911 21.19131 31.86959 
1 1 1    0   25   12 o  209.161   9.7761  549.501   51.062  584.934   74.911  518.750   69.787  214.681   14.051  202.151   13.909 12.52956 19.77095 
1 1 1    0   25   13 o  174.344   9.3863  382.664   40.714  394.477   60.275  372.751   55.215  176.193   13.810  171.417   12.996 4.776535 18.96302 
1 1 1    0   25   14 o  277.452   16.289  979.890  112.365  869.423  162.810  1080.37  155.274  257.647   25.646  289.310   21.649 -31.66318 33.56180 
1 1 1    0   25   15 o  188.567   8.9414  446.122   42.104  473.966   61.727  421.896   57.578  193.453   12.851  182.497   12.714 10.95584 18.07688 
1 1 1    0   25   16 o  352.555   12.009  1565.51  105.728  1669.47  150.646  1464.59  148.423  362.632   16.636  338.892   17.599 23.74020 24.21707 
1 1 1    0   25   17 o  177.397   9.6923  396.328   42.773  369.156   61.783  421.340   59.276  170.229   14.677  182.292   13.109 -12.06285 19.67930 
1 1 1    0   25   18 o  129.621   9.5101  212.057   30.568  199.634   44.749  222.925   41.855  124.812   14.635  132.354   12.825 -7.541451 19.45926 
1 1 1    0   25   19 o  231.850   9.9711  675.292   57.730  722.370   82.330  629.753   80.973  238.729   13.870  222.652   14.645 16.07732 20.17071 
1 1 1    0   25   20 f  122.541   14.444  192.441   43.351  265.818   57.366   94.746   66.192  143.863   16.253   85.650   27.388 58.21217 31.84740 
1 1 1    0   25   21 o   88.136   9.8353   98.767   21.277   98.656   31.815   98.857   28.620   87.051   15.188   87.489   13.537 -0.4379120 20.34494 
1 1 1    0   25   22 o   43.857   11.593   25.084   12.889   21.010   21.215   27.468   16.228   43.692   15.504   46.152   13.332 -2.460358 20.44826 
1 1 1    0   25   23 o   57.056   14.230   42.772   20.206   0.0000   0.0000   42.772   20.206  ?   ?    57.056   14.230 0.000000 14.22963 
1 1 1    0   25   24 o  139.803   10.726  247.242   37.159  248.310   42.649  243.874   75.712  139.814   12.342  135.738   23.168 4.076614 26.25033 
1 1 1    0   25   25 o  385.812   13.325  1879.76  128.375  1826.27  180.753  1934.20  182.357  377.525   19.237  389.206   18.763 -11.68039 26.87168 
1 1 1    0   25   26 o  494.223   16.120  3101.04  198.949  3061.53  280.500  3141.03  282.220  486.864   23.071  493.257   22.912 -6.393250 32.51540 
1 1 1    0   25   27 o  227.193   10.062  648.717   57.085  677.264   79.286  617.992   82.255  231.078   13.803  220.374   15.037 10.70393 20.41148 
1 1 1    0   25   28 o  107.984   11.846  148.630   31.418  121.655   45.599  173.011   43.350   95.847   19.709  115.865   15.361 -20.01737 24.98858 
1 1 1    0   25   29 o  330.173   16.944  1390.04  139.234  1412.48  197.400  1367.82  196.417  329.342   24.171  323.908   24.464 5.433960 34.39056 
1 1 1    0   25   30 o  238.684   10.605  716.586   63.211  740.266   87.855  691.173   91.015  241.370   14.645  232.883   15.743 8.487213 21.50153 
1 1 1    0   25   31 o  182.603   9.4861  419.932   43.107  436.560   58.838  400.666   63.334  185.555   12.776  177.347   14.426 8.207474 19.26991 
1 1 1    0   25   32 o  102.192   11.197  133.034   28.106   97.218   44.282  157.195   36.371   85.328   20.939  110.748   13.426 -25.41965 24.87320 
1 1 1    0   25   33 o  204.273   11.890  527.863   60.392  491.971  101.735  547.392   75.044  194.401   21.306  207.361   14.585 -12.96060 25.81975 
1 1 1    0   25   34 o  118.862   10.990  179.419   32.252  192.255   52.873  171.812   40.702  121.460   17.975  115.587   14.414 5.873329 23.04081 
1 1 1    0   25   35 o  145.228   10.862  267.164   39.108  354.608   66.689  221.331   48.281  166.098   16.288  131.205   15.006 34.89331 22.14652 
1 1 1    0   25   36 o  115.589   10.898  169.910   31.086  163.959   54.486  172.782   37.851  111.109   20.389  116.064   13.300 -4.954742 24.34318 
1 1 1    0   25   37 o  128.564   10.413  209.753   33.143  244.926   60.473  194.652   39.625  136.927   18.132  123.236   13.076 13.69055 22.35471 
1 1 1    0   25   38 o   65.073   13.622   55.819   21.426  100.540   46.541   43.792   24.136   86.042   21.672   57.615   16.134 28.42627 27.01837 
1 1 1    0   25   39 o   55.425   14.013   40.732   19.405   91.876   47.144   30.299   21.292   82.020   22.390   48.891   15.523 33.12914 27.24452 
1 1 1    0   25   40 o  149.723   10.088  284.910   37.499  367.984   76.441  258.583   43.032  166.969   18.652  142.004   12.255 24.96490 22.31792 
1 1 1    0   25   41 o  130.417   10.233  216.983   33.059  266.519   71.065  203.302   37.347  140.314   20.921  125.695   12.046 14.61878 24.14109 
1 1 1    0   25   42 o   77.230   11.123   77.489   20.833  148.141   71.152   70.864   21.788  100.795   27.503   73.475   12.310 27.31956 30.13224 
1 1 1    0   25   43 o   87.708   11.114   99.723   23.797  101.903   69.461   99.433   25.330   84.418   28.129   87.339   11.925 -2.921394 30.55250 
1 1 1    0   25   44 o  122.319   18.147  202.685   53.750   0.0000   0.0000  202.685   53.750  ?   ?   122.319   18.147 0.000000 18.14689 
1 1 1    0   26    0 o  209.520   13.889  561.661   72.254  567.214   99.863  555.560  104.673  208.199   19.432  205.416   20.687 2.783615 28.38254 
1 1 1    0   26    1 o   65.266   12.357   55.730   19.402   84.669   33.819   41.533   23.688   79.642   17.484   56.222   16.068 23.42037 23.74616 
1 1 1    0   26    2 o  214.212   10.898  581.123   58.103  555.845   99.727  594.112   71.489  206.281   19.595  215.852   13.328 -9.570602 23.69824 
1 1 1    0   26    3 o   89.423   10.726  102.337   23.474  139.578   41.427   84.726   28.489  103.171   16.646   80.352   14.741 22.81860 22.23521 
1 1 1    0   26    4 o  196.310   10.431  487.341   50.953  562.981   88.744  450.142   62.233  208.874   17.166  187.883   13.351 20.99011 21.74673 
1 1 1    0   26    5 o   98.171   16.802  126.551   39.709   0.0000   0.0000  126.551   39.709  ?   ?    98.171   16.802 0.000000 16.80171 
1 1 1    0   26    6 f  349.384   12.741  1545.45  111.159  1641.52  160.233  1456.32  154.338  357.210   18.021  336.163   18.456 21.04642 25.79497 
1 1 1    0   26    7 o   86.341   10.340   95.214   21.850  119.049   38.320   83.731   26.597   95.237   16.723   80.178   13.781 15.05952 21.66948 
1 1 1    0   26    8 o  176.315   9.6710  392.231   42.418  469.336   65.523  336.605   55.654  191.946   13.761  162.372   13.858 29.57344 19.53008 
1 1 1    0   26    9 o   67.778   11.043   59.361   18.047  101.460   33.912   42.728   21.316   87.968   16.028   56.963   14.838 31.00455 21.84159 
1 1 1    0   26   10 o  243.981   14.498  757.699   87.935  772.117  124.897  743.527  123.827  243.926   20.700  239.234   20.938 4.692108 29.44286 
1 1 1    0   26   11 o  208.255   9.8587  545.436   51.270  576.731   76.181  519.526   69.317  212.811   14.420  202.098   13.818 10.71300 19.97196 
1 1 1    0   26   12 o  127.496   9.2999  205.308   29.405  206.776   46.353  204.320   38.039  126.834   14.920  126.674   12.175 0.1594086 19.25727 
1 1 1    0   26   13 o  126.430   9.3337  201.900   29.260  195.706   45.681  206.210   38.102  123.307   15.154  127.283   12.134 -3.976074 19.41374 
1 1 1    0   26   14 o  240.480   9.5805  726.748   57.533  795.273   83.819  665.702   79.112  250.433   13.452  228.942   13.904 21.49170 19.34614 
1 1 1    0   26   15 o  220.023   9.9988  608.663   54.937  633.194   79.823  586.586   75.725  223.141   14.402  214.792   14.198 8.348145 20.22380 
1 1 1    0   26   16 o   74.965   14.448   73.501   26.067   42.810   54.633   82.547   29.661   65.411   24.611   79.336   15.527 -13.92545 29.09960 
1 1 1    0   26   17 o  152.119   8.7002  291.365   32.912  330.803   49.088  259.158   44.360  161.485   12.265  142.761   12.571 18.72429 17.56303 
1 1 1    0   26   18 o  133.908   9.0660  226.164   30.138  244.271   44.942  211.369   40.626  138.450   13.157  128.775   12.803 9.674728 18.35839 
1 1 1    0   26   19 o  277.979   11.392  973.368   79.079  975.045  112.230  971.714  111.445  276.487   16.327  276.044   16.239 0.4427185 23.02759 
1 1 1    0   26   20 f  149.224   9.4121  280.803   34.894  303.491   50.528  260.119   48.245  154.441   13.229  142.795   13.698 11.64537 19.04315 
1 1 1    0   26   21 o  149.387   9.7795  281.634   36.281  275.391   52.156  287.487   50.501  146.801   14.413  150.201   13.612 -3.399551 19.82501 
1 1 1    0   26   22 o  247.701   22.257  797.627  136.205   0.0000   0.0000  797.627  136.205  ?   ?   247.701   22.257 0.000000 22.25742 
1 1 1    0   26   23 o  248.760   9.8933  777.808   61.457  730.206   86.551  826.217   87.282  239.690   14.529  255.242   13.744 -15.55290 19.99969 
1 1 1    0   26   24 o  216.891   9.3704  590.884   50.752  513.609   70.748  672.808   72.845  200.960   14.189  230.526   12.703 -29.56560 19.04464 
1 1 1    0   26   25 o  289.013   11.019  1051.59   79.528  1035.51  111.568  1068.20  113.394  285.169   15.728  289.645   15.736 -4.476135 22.24857 
1 1 1    0   26   26 o  132.298   8.9777  220.735   29.484  159.242   40.359  291.115   43.177  111.145   14.918  151.588   11.492 -40.44341 18.83077 
1 1 1    0   26   27 o  210.372   9.8227  556.218   51.602  558.252   71.396  553.994   74.667  209.678   13.711  208.691   14.416 0.9871368 19.89511 
1 1 1    0   26   28 o  254.910   10.788  817.778   68.674  883.370   95.728  748.225   98.575  263.689   14.595  242.055   16.405 21.63359 21.95724 
1 1 1    0   26   29 o  162.495   12.225  334.892   49.242  217.871   81.344  402.581   61.866  126.938   26.517  177.830   14.046 -50.89195 30.00701 
1 1 1    0   26   30 o  167.107   12.114  354.004   50.208  381.127   72.392  328.863   69.696  172.190   17.060  159.628   17.787 12.56210 24.64589 
1 1 1    0   26   31 o  208.087   10.675  546.387   55.286  516.804   67.792  605.136   95.533  201.710   13.537  217.062   17.781 -15.35225 22.34722 
1 1 1    0   26   32 o  265.534   11.045  888.100   73.238  1004.60  101.957  763.901  105.271  281.150   14.572  244.129   17.381 37.02145 22.68157 
1 1 1    0   26   33 o  246.880   12.567  771.859   77.218  799.421  130.566  757.034   95.760  248.074   21.283  243.490   15.835 4.584183 26.52726 
1 1 1    0   26   34 o  162.516   11.065  334.414   44.636  338.484   73.666  332.053   56.110  161.505   18.605  161.251   14.075 0.2543030 23.32985 
1 1 1    0   26   35 o  130.876   10.722  217.317   34.734  164.174   56.153  250.250   44.205  110.981   21.032  140.063   12.779 -29.08260 24.60968 
1 1 1    0   26   36 o  112.155   11.010  160.261   30.437  144.450   50.038  169.548   38.348  104.098   19.975  114.795   13.645 -10.69638 24.19075 
1 1 1    0   26   37 o   82.562   12.313   88.221   24.609   78.289   42.507   93.228   30.181   76.287   21.429   84.299   14.881 -8.012207 26.08922 
1 1 1    0   26   38 o  174.288   10.548  385.436   45.692  359.770   79.833  397.940   55.722  165.098   19.756  176.468   12.730 -11.36961 23.50239 
1 1 1    0   26   39 f  119.565   10.309  182.215   30.481  221.749   56.086  165.645   36.311  129.599   17.800  113.240   13.081 16.35841 22.09008 
1 1 1    0   26   40 o  103.053   10.810  136.241   27.405  102.267   54.033  148.008   31.799   85.585   24.202  107.107   12.101 -21.52188 27.05858 
1 1 1    0   26   41 f  289.570   12.765  1074.90   92.302  1062.97  164.093  1080.42  111.637  278.369   23.836  288.121   15.574 -9.752014 28.47255 
1 1 1    0   26   42 o   95.039   10.821  116.564   25.223   85.925   58.618  123.526   27.943   78.535   25.825   97.613   11.696 -19.07775 28.34998 
1 1 1    0   26   43 o   48.891   13.772   31.853   17.532   0.0000   0.0000   31.853   17.532  ?   ?    48.891   13.772 0.000000 13.77236 
1 1 1    0   27    0 o  203.983   10.760  527.925   54.616  590.961   93.810  495.603   67.174  213.006   17.799  196.625   13.768 16.38039 22.50259 
1 1 1    0   27    1 o  150.055   13.655  289.231   50.606  327.475   68.450  243.131   75.152  158.342   17.610  133.907   23.322 24.43417 29.22344 
1 1 1    0   27    2 o  285.641   12.862  1037.10   91.744  990.161  158.056  1060.94  112.667  272.742   23.434  287.237   15.768 -14.49405 28.24484 
1 1 1    0   27    3 o  244.837   11.692  759.264   71.487  1037.78  124.678  622.861   87.253  283.145   17.722  219.864   16.002 63.28046 23.87763 
1 1 1    0   27    4 o  221.623   11.335  622.874   62.524  758.095  109.273  557.056   76.237  241.715   18.238  208.433   14.742 33.28172 23.45081 
1 1 1    0   27    5 f  174.725   10.574  386.756   45.920  452.346   80.991  355.681   55.747  186.759   17.573  166.766   13.502 19.99255 22.16118 
1 1 1    0   27    6 o  270.594   12.737  928.447   86.068  1074.60  150.455  857.357  104.932  286.594   21.173  258.274   16.354 28.31943 26.75323 
1 1 1    0   27    7 o  141.914   15.455  259.858   53.886  143.814  103.307  303.231   63.158  102.789   34.307  152.996   16.808 -50.20728 38.20287 
1 1 1    0   27    8 o  130.578   9.8503  215.946   31.883  252.428   51.939  193.886   40.388  139.992   15.096  122.934   13.372 17.05737 20.16681 
1 1 1    0   27    9 o  258.328   10.767  841.715   69.455  917.775  102.508  777.163   94.436  267.929   15.385  246.470   15.421 21.45905 21.78349 
1 1 1    0   27   10 o  209.669   10.011  553.605   52.414  569.987   78.722  540.559   70.250  211.124   15.030  205.977   13.736 5.147125 20.36129 
1 1 1    0   27   11 o  142.064   9.5735  255.046   33.765  234.469   53.443  268.716   43.560  134.658   16.219  145.328   12.113 -10.67018 20.24347 
1 1 1    0   27   12 o  391.227   19.312  1969.37  188.669  2096.32  267.399  1843.51  266.242  397.217   27.120  370.824   28.982 26.39301 39.69162 
1 1 1    0   27   13 f  173.211   9.6068  378.508   41.390  418.777   62.758  347.509   55.063  181.212   13.977  165.107   13.472 16.10455 19.41267 
1 1 1    0   27   14 f  128.863   9.2777  209.801   29.655  255.608   46.978  179.456   38.236  141.461   13.461  118.382   13.157 23.07812 18.82288 
1 1 1    0   27   15 o  282.415   11.020  1005.25   77.716  1044.06  112.039  969.249  107.892  286.020   15.747  275.553   15.745 10.46683 22.26820 
1 1 1    0   27   16 o  166.598   8.9899  349.686   37.262  357.000   55.761  343.784   50.087  167.418   13.451  164.543   12.278 2.874893 18.21233 
1 1 1    0   27   17 o  100.487   10.151  128.327   25.124  132.761   40.147  125.471   32.212  100.847   16.513   98.707   13.416 2.140427 21.27619 
1 1 1    0   27   18 o  110.663   12.905  156.832   34.993  164.336   64.016  153.635   41.790  110.422   23.908  108.834   15.841 1.587532 28.68007 
1 1 1    0   27   19 o  212.745   9.4676  568.896   50.298  629.697   72.819  513.420   69.557  222.767   13.148  200.864   13.954 21.90262 19.17259 
1 1 1    0   27   20 o  202.087   10.280  515.201   51.706  504.408   74.376  525.296   71.932  198.778   15.096  203.108   14.273 -4.329681 20.77534 
1 1 1    0   27   21 o  215.551   10.009  584.403   53.875  604.584   77.062  565.109   75.348  217.983   14.235  210.668   14.409 7.314743 20.25481 
1 1 1    0   27   22 f   79.985   11.148   82.117   21.661   61.561   33.823   96.410   28.204   68.308   19.089   86.299   13.532 -17.99120 23.39938 
1 1 1    0   27   23 o  127.869   10.403  207.093   32.931  204.174   43.204  211.140   50.871  126.250   13.936  127.833   16.308 -1.582779 21.45117 
1 1 1    0   27   24 o  171.639   13.817  375.240   58.721  360.954   76.874  395.253   90.987  166.935   18.766  173.875   21.407 -6.939926 28.46832 
1 1 1    0   27   25 o  487.307   16.485  3023.31  200.605  2977.18  283.194  3069.77  284.206  478.683   23.691  486.300   23.403 -7.616302 33.30143 
1 1 1    0   27   26 o  222.089   9.7596  620.079   54.126  563.586   75.271  680.570   77.888  210.415   14.412  231.564   13.528 -21.14920 19.76668 
1 1 1    0   27   27 o  124.507   9.8100  196.085   30.254  159.995   41.432  237.308   44.281  111.274   15.316  136.404   13.163 -25.12970 20.19578 
1 1 1    0   27   28 o  326.510   12.194  1345.45   99.427  1280.11  138.980  1413.95  142.301  316.176   17.673  332.558   17.194 -16.38199 24.65718 
1 1 1    0   27   29 o  146.567   9.2103  270.927   33.539  283.660   45.659  256.005   49.427  149.403   12.349  141.479   14.181 7.924591 18.80402 
1 1 1    0   27   30 o  171.439   9.4121  370.476   40.141  385.386   54.328  352.552   59.568  174.233   12.571  166.144   14.503 8.088821 19.19272 
1 1 1    0   27   31 o  187.537   12.292  445.958   57.247  462.077   94.707  436.677   71.862  188.431   20.456  184.668   15.733 3.762817 25.80634 
1 1 1    0   27   32 o  134.657   12.601  231.102   41.879  155.253   60.983  298.801   57.613  107.340   23.410  152.594   15.327 -45.25371 27.98094 
1 1 1    0   27   33 o  145.025   9.4930  265.619   34.190  255.993   45.475  278.136   51.854  141.654   13.001  147.393   14.267 -5.738770 19.30162 
1 1 1    0   27   34 o  228.126   12.230  659.898   69.418  743.322  117.015  614.594   86.230  239.301   19.758  218.978   15.877 20.32237 25.34689 
1 1 1    0   27   35 o  113.990   11.303  165.700   31.750  156.024   51.196  171.748   40.473  108.362   19.642  115.354   14.361 -6.991180 24.33249 
1 1 1    0   27   36 o  109.573   11.343  153.428   30.588  125.515   49.548  170.618   38.882   96.363   21.169  115.008   13.815 -18.64597 25.27803 
1 1 1    0   27   37 o  147.863   11.234  278.410   41.171  327.457   68.880  251.145   51.355  158.270   17.733  139.318   14.998 18.95148 23.22450 
1 1 1    0   27   38 o   74.543   12.309   72.465   22.113   21.386   36.496  102.094   27.795   50.475   19.819   88.620   12.942 -38.14521 23.67002 
1 1 1    0   27   39 o   98.370   10.869  124.263   26.254  108.958   45.415  131.945   32.176   89.081   20.794  100.799   13.092 -11.71760 24.57221 
1 1 1    0   27   40 o  324.801   13.907  1357.88  112.797  1452.54  196.138  1311.11  137.879  325.412   24.312  315.960   17.544 9.452118 29.98122 
1 1 1    0   27   41 o  247.007   11.689  780.331   72.103  787.994  126.724  776.663   87.679  240.981   21.277  244.540   14.422 -3.558228 25.70400 
1 1 1    0   27   42 f   38.856   13.105   18.385   15.077   23.955   37.669   17.322   16.452   51.215   20.127   38.736   13.663 12.47874 24.32641 
1 1 1    0   28    0 o  182.959   11.031  425.970   50.164  575.976   86.774  350.675   61.478  210.466   16.646  164.545   15.131 45.92177 22.49559 
1 1 1    0   28    1 o  158.544   10.752  319.731   42.316  472.987   73.609  244.082   51.716  191.217   15.550  137.045   15.377 54.17235 21.86917 
1 1 1    0   28    2 o  210.209   11.130  561.363   58.219  529.667  100.262  577.487   71.510  200.213   20.336  212.344   13.557 -12.13057 24.44024 
1 1 1    0   28    3 o  372.880   19.090  1812.98  177.163  1770.44  249.446  1856.28  251.661  359.887   27.976  369.074   27.503 -9.186768 39.23100 
1 1 1    0   28    4 o  226.874   11.486  653.723   64.859  782.856  113.547  591.185   79.019  245.034   18.698  214.501   14.843 30.53337 23.87309 
1 1 1    0   28    5 o  105.952   10.754  143.321   28.059  245.049   52.568  102.789   33.182  137.485   15.587   88.363   15.608 49.12270 22.05830 
1 1 1    0   28    6 o   91.954   11.479  108.625   25.785  136.070   48.910   98.061   30.344  100.649   20.163   86.559   14.555 14.09054 24.86716 
1 1 1    0   28    7 o  168.304   10.849  359.366   45.355  394.804   80.947  343.150   54.757  173.736   18.966  163.730   13.513 10.00565 23.28764 
1 1 1    0   28    8 o  188.122   15.567  455.385   72.474  365.546  126.558  499.222   88.406  160.546   32.679  195.959   18.277 -35.41270 37.44250 
1 1 1    0   28    9 o  134.234   11.677  229.604   38.751  261.412   98.778  223.818   42.128  136.702   29.778  132.221   12.924 4.481918 32.46206 
1 1 1    0   28   10 o  192.372   10.622  468.367   50.828  439.218   77.517  490.351   67.319  184.327   17.033  195.943   13.847 -11.61641 21.95184 
1 1 1    0   28   11 o  300.556   11.446  1141.54   85.907  1146.88  125.437  1136.81  117.896  298.732   16.884  297.889   15.906 0.8432617 23.19654 
1 1 1    0   28   12 o   87.965   10.740   99.020   23.103  119.155   41.583   90.030   27.786   94.804   18.227   83.136   13.873 11.66719 22.90548 
1 1 1    0   28   13 o  157.305   13.228  315.841   51.479  339.174   73.424  293.281   72.197  161.419   18.553  149.524   19.824 11.89532 27.15148 
1 1 1    0   28   14 o   44.315   13.388   25.099   16.067  -1.2907   33.803   32.801   18.261   41.772   17.963   50.117   14.034 -8.344742 22.79495 
1 1 1    0   28   15 o  216.390   10.436  590.074   56.391  590.538   83.532  589.686   76.437  214.700   15.689  214.999   14.319 -0.2983704 21.24055 
1 1 1    0   28   16 o  188.400   9.2541  446.365   43.538  505.318   65.396  399.435   58.348  199.301   13.215  177.076   13.292 22.22502 18.74339 
1 1 1    0   28   17 o  285.716   11.038  1029.54   78.754  1070.48  113.588  991.638  109.286  289.440   15.775  278.546   15.776 10.89355 22.30994 
1 1 1    0   28   18 o  111.309   9.2391  156.825   25.449  198.279   40.704  130.222   32.608  124.443   13.305  100.563   13.312 23.87970 18.82068 
1 1 1    0   28   19 o  171.328   13.958  374.611   59.200  318.671   93.897  411.518   76.268  154.130   25.272  178.619   17.316 -24.48892 30.63528 
1 1 1    0   28   20 o  296.049   13.119  1109.38   96.984  1114.81  120.822  1099.55  162.620  295.200   16.456  290.107   22.626 5.092743 27.97736 
1 1 1    0   28   21 o  253.488   11.892  811.276   75.278  1017.44  131.956  711.810   91.656  280.925   18.920  236.003   15.641 44.92155 24.54809 
1 1 1    0   28   22 o  318.697   17.323  1301.55  137.344  1301.55  137.344   0.0000   0.0000  318.697   17.323  ?   ?  0.000000 17.32273 
1 1 1    0   28   23 o  478.941   16.092  2921.74  192.459  3110.56  272.522  2733.86  271.834  489.762   22.283  457.353   23.884 32.40900 32.66454 
1 1 1    0   28   24 o  314.044   12.661  1246.65   99.293  1226.30  140.406  1267.01  140.438  308.931   18.281  314.180   17.975 -5.248993 25.63787 
1 1 1    0   28   25 o  471.900   22.996  2893.61  270.993  2966.57  380.241  2818.31  386.314  467.632   32.769  454.014   34.327 13.61835 47.45680 
1 1 1    0   28   26 o  200.188   14.156  510.487   70.309  470.175   91.653  568.135  109.602  190.364   19.558  208.726   21.327 -18.36195 28.93744 
1 1 1    0   28   27 o  297.927   11.425  1119.40   85.000  1163.79  119.087  1073.30  121.361  302.001   15.846  289.579   16.856 12.42203 23.13465 
1 1 1    0   28   28 o  399.608   13.933  2023.83  139.039  1959.93  195.139  2089.72  198.158  389.659   20.123  403.097   19.686 -13.43802 28.15074 
1 1 1    0   28   29 o  145.968   9.3854  268.951   34.029  274.445   46.270  262.478   50.222  146.794   12.749  143.186   14.234 3.608688 19.10892 
1 1 1    0   28   30 o  177.374   9.7702  396.978   43.109  404.690   58.834  388.040   63.345  178.307   13.309  174.214   14.698 4.093094 19.82835 
1 1 1    0   28   31 o  216.053   10.658  588.213   57.503  640.487   79.166  529.831   83.663  224.225   14.212  203.086   16.643 21.13858 21.88548 
1 1 1    0   28   32 o  205.725   12.524  537.334   64.032  489.924  106.808  563.934   80.003  192.825   22.611  209.909   15.369 -17.08435 27.33970 
1 1 1    0   28   33 o  158.647   12.877  320.893   50.576  262.714   74.004  371.881   69.280  140.682   21.768  169.777   16.551 -29.09518 27.34614 
1 1 1    0   28   34 o  127.364   10.259  205.856   32.352  174.082   40.161  264.583   54.599  116.170   14.135  143.154   15.522 -26.98376 20.99374 
1 1 1    0   28   35 o  133.095   11.871  226.121   39.040  159.009   63.739  266.414   49.388  107.668   24.285  144.000   13.907 -36.33275 27.98535 
1 1 1    0   28   36 o  175.042   11.449  389.907   49.770  363.104   82.688  405.133   62.324  165.538   20.437  177.565   14.174 -12.02693 24.87068 
1 1 1    0   28   37 o  249.392   13.087  795.552   81.216  871.785  138.403  755.515  100.301  255.786   21.878  241.189   16.757 14.59726 27.55853 
1 1 1    0   28   38 o   90.752   11.501  106.325   25.480   73.594   41.822  125.645   32.131   73.501   21.453   98.222   13.454 -24.72122 25.32242 
1 1 1    0   28   39 o  167.179   11.116  357.258   46.142  360.806   78.911  355.415   56.879  164.103   19.647  165.683   13.875 -1.579880 24.05224 
1 1 1    0   28   40 f  209.761   11.353  563.374   59.245  668.330  102.479  510.686   72.608  224.089   18.478  197.968   14.794 26.12045 23.67061 
1 1 1    0   28   41 o  150.958   10.095  291.361   37.836  244.990   65.683  314.389   46.287  133.688   20.314  156.110   11.964 -22.42209 23.57558 
1 1 1    0   28   42 o   58.926   14.279   46.916   20.791   0.0000   0.0000   46.916   20.791  ?   ?    58.926   14.279 0.000000 14.27880 
1 1 1    0   29    0 o  171.854   18.533  390.900   78.276   0.0000   0.0000  390.900   78.276  ?   ?   171.854   18.533 0.000000 18.53308 
1 1 1    0   29    1 o  154.976   10.663  305.983   41.014  290.991   71.049  313.476   50.228  147.620   19.770  156.126   13.001 -8.506653 23.66197 
1 1 1    0   29    2 o  291.602   12.851  1084.98   93.577  996.679  161.574  1129.55  114.789  271.448   24.086  295.663   15.602 -24.21451 28.69807 
1 1 1    0   29    3 f  237.118   12.005  716.647   70.853  837.390  123.398  657.262   86.540  252.113   19.758  225.542   15.458 26.57161 25.08711 
1 1 1    0   29    4 o  360.251   14.788  1663.99  133.038  1923.25  231.353  1535.90  162.613  377.990   24.645  342.687   19.078 35.30338 31.16631 
1 1 1    0   29    5 o  192.427   14.147  475.666   67.502  523.047   94.709  426.746   96.234  199.532   19.246  178.690   22.033 20.84216 29.25547 
1 1 1    0   29    6 o  193.986   11.070  477.952   53.403  549.183   94.737  444.776   64.653  204.885   18.723  186.158   14.011 18.72746 23.38505 
1 1 1    0   29    7 o  130.063   10.413  215.087   33.537  341.240   62.884  164.946   39.645  162.406   15.702  112.791   14.404 49.61483 21.30790 
1 1 1    0   29    8 f  309.505   13.487  1219.66  104.238  1384.91  182.547  1139.70  126.975  323.429   22.747  296.951   17.197 26.47800 28.51560 
1 1 1    0   29    9 o  264.784   11.274  887.155   74.544  951.712  112.319  836.333   99.657  271.676   16.636  255.052   15.724 16.62366 22.89074 
1 1 1    0   29   10 o  195.848   14.174  491.208   68.850  617.580  125.387  436.657   82.381  215.171   23.730  183.073   18.264 32.09764 29.94483 
1 1 1    0   29   11 o  211.249   9.8681  562.663   52.057  592.190   80.214  541.179   68.423  214.856   15.045  205.932   13.378 8.923843 20.13283 
1 1 1    0   29   12 o   95.401   10.187  116.061   23.895  168.600   44.741   95.096   28.263  113.690   16.219   85.475   13.704 28.21462 21.23327 
1 1 1    0   29   13 o  380.850   13.308  1841.93  126.570  1961.41  182.471  1731.13  175.714  389.806   18.745  365.384   19.326 24.42230 26.92405 
1 1 1    0   29   14 o  174.150   9.5897  383.090   41.543  459.103   65.099  330.866   53.959  189.568   13.848  160.854   13.560 28.71384 19.38094 
1 1 1    0   29   15 o  252.333   15.157  814.623   95.066  783.693  133.905  846.056  134.987  244.154   22.205  254.153   21.470 -9.999680 30.88745 
1 1 1    0   29   16 o  254.895   11.262  820.589   71.683  754.600  104.461  879.316   98.547  241.952   17.405  262.258   15.111 -20.30518 23.05009 
1 1 1    0   29   17 o  203.865   10.107  523.668   51.452  568.233   76.994  487.710   69.162  210.813   14.718  195.372   14.275 15.44130 20.50326 
1 1 1    0   29   18 o   91.802   11.380  107.993   25.528  103.021   42.374  110.826   31.984   87.689   19.817   92.353   14.333 -4.664192 24.45748 
1 1 1    0   29   19 o  143.683   9.9201  261.173   35.376  271.807   54.173  253.267   46.710  145.365   15.146  140.709   13.458 4.655487 20.26098 
1 1 1    0   29   20 o  218.281   13.658  606.650   74.073   0.0000   0.0000  606.650   74.073  ?   ?   218.281   13.658 0.000000 13.65789 
1 1 1    0   29   21 f  393.356   29.554  2083.67  288.185  2083.67  288.185   0.0000   0.0000  393.356   29.554  ?   ?  0.000000 29.55428 
1 1 1    0   29   22 o  339.433   12.446  1457.27  105.499  1483.76  149.772  1431.17  148.632  339.855   17.709  333.660   17.904 6.195587 25.18237 
1 1 1    0   29   23 o  214.623   10.718  580.640   57.446  574.929   82.463  586.026   80.071  211.875   15.698  214.130   15.070 -2.254395 21.76070 
1 1 1    0   29   24 o  287.902   10.628  1044.61   76.412  1059.84  108.499  1029.63  107.631  288.253   15.126  284.063   15.228 4.189545 21.46390 
1 1 1    0   29   25 o  201.639   9.0176  511.068   45.406  655.339   65.326  376.224   63.156  227.568   11.533  171.407   14.903 56.16068 18.84463 
1 1 1    0   29   26 f   92.080   10.423  108.142   23.544  111.521   36.121  105.646   31.045   92.223   16.280   90.184   14.259 2.038437 21.64147 
1 1 1    0   29   27 o  288.318   17.146  1066.74  122.892  1162.69  167.541  954.991  180.806  298.098   22.677  267.151   27.495 30.94724 35.63987 
1 1 1    0   29   28 o   77.953   11.512   78.308   21.735   70.296   32.837   84.555   28.996   72.644   18.153   80.304   15.011 -7.659912 23.55530 
1 1 1    0   29   29 o  183.714   8.9116  424.249   40.884  472.274   56.388  371.024   59.363  193.012   11.755  170.404   14.076 22.60826 18.33925 
1 1 1    0   29   30 o  201.421   10.762  513.064   53.937  550.287   74.785  472.712   77.865  207.565   14.520  191.691   16.425 15.87402 21.92256 
1 1 1    0   29   31 o  145.455   9.9973  267.762   36.092  263.470   49.044  272.833   53.306  143.395   13.870  145.672   14.862 -2.277405 20.32842 
1 1 1    0   29   32 o  122.598   10.124  190.732   30.719  147.192   41.397  244.083   45.825  106.171   16.121  138.019   13.467 -31.84772 21.00579 
1 1 1    0   29   33 o  206.610   9.9575  538.302   51.375  555.370   70.039  518.422   75.588  208.583   13.519  200.923   15.177 7.660202 20.32529 
1 1 1    0   29   34 o  251.695   14.473  811.488   90.583  835.861  130.833  789.048  125.539  252.025   20.979  244.979   20.715 7.045547 29.48299 
1 1 1    0   29   35 o  165.568   10.358  347.945   42.610  340.221   53.049  361.990   71.532  162.904   13.153  166.461   17.469 -3.556961 21.86658 
1 1 1    0   29   36 o  168.316   11.912  361.988   49.743  405.701   83.435  337.883   61.958  175.083   19.410  161.285   15.577 13.79858 24.88781 
1 1 1    0   29   37 o  106.371   12.223  146.084   31.879  124.797   52.625  158.424   40.068   94.813   22.555  109.964   14.981 -15.15067 27.07662 
1 1 1    0   29   38 o  158.458   11.528  321.748   45.304  323.127   75.727  320.979   56.538  154.940   20.042  157.082   14.580 -2.141724 24.78377 
1 1 1    0   29   39 o  101.252   11.530  132.579   28.632  118.328   48.507  140.199   35.471   92.007   21.499  103.305   14.120 -11.29745 25.72117 
1 1 1    0   29   40 o  167.150   11.445  359.269   47.485  303.612   81.388  387.993   58.468  147.426   22.846  172.686   13.670 -25.26060 26.62402 
1 1 1    0   29   41 o  185.671   13.197  448.216   60.791   0.0000   0.0000  448.216   60.791  ?   ?   185.671   13.197 0.000000 13.19717 
1 1 1    0   30    0 o  252.535   12.038  815.888   75.914  701.297  129.794  875.470   93.591  225.895   23.346  259.844   14.481 -33.94807 27.47217 
1 1 1    0   30    1 o   92.072   12.755  110.471   28.538  100.027   50.177  115.465   34.696   84.514   23.111   93.316   15.429 -8.802177 27.78736 
1 1 1    0   30    2 o  187.084   18.996  464.656   87.517   0.0000   0.0000  464.656   87.517  ?   ?   187.084   18.996 0.000000 18.99644 
1 1 1    0   30    3 o  148.576   11.446  282.377   42.139  324.932   74.656  262.480   51.048  156.059   19.588  142.155   14.587 13.90398 24.42306 
1 1 1    0   30    4 o  122.761   11.352  193.045   34.408  168.141   62.474  203.888   41.223  110.173   23.428  125.599   13.348 -15.42598 26.96397 
1 1 1    0   30    5 o   43.699   15.121   22.449   20.098   23.657   43.556   22.122   22.653   54.194   21.532   44.573   15.999 9.621349 26.82580 
1 1 1    0   30    6 o  139.020   14.594  250.332   49.907  278.074   69.911  221.504   71.267  144.487   19.904  127.239   23.288 17.24866 30.63478 
1 1 1    0   30    7 o  232.797   11.515  687.727   66.941  786.082  118.539  641.674   81.113  244.532   19.576  223.332   14.625 21.19974 24.43601 
1 1 1    0   30    8 o  225.324   11.774  646.071   66.017  713.778  117.716  615.005   79.737  232.584   20.476  218.685   14.686 13.89880 25.19871 
1 1 1    0   30    9 o   75.215   13.537   74.202   24.492   84.032   53.690   71.619   27.522   79.041   24.587   73.417   15.498 5.624329 29.06414 
1 1 1    0   30   10 o  164.674   10.736  344.375   43.908  292.154   71.301  376.274   55.727  148.637   19.695  171.472   13.114 -22.83562 23.66127 
1 1 1    0   30   11 o  168.771   12.699  363.858   53.126  300.903   73.427  433.015   76.960  150.837   19.986  182.611   17.075 -31.77315 26.28678 
1 1 1    0   30   12 o  203.692   16.545  536.389   83.428  370.424  141.515  624.795  103.284  158.790   36.459  218.731   19.101 -59.94153 41.15903 
1 1 1    0   30   13 o  104.957   10.608  140.528   27.422  163.821   50.109  130.570   32.764  111.171   18.714  100.490   13.389 10.68118 23.01103 
1 1 1    0   30   14 o  248.624   10.667  780.794   66.227  846.438   99.635  728.833   88.645  256.745   15.614  238.450   14.963 18.29521 21.62628 
1 1 1    0   30   15 o  255.725   10.899  826.250   69.602  870.998  103.795  789.688   93.823  260.322   16.045  248.191   15.212 12.13188 22.10949 
1 1 1    0   30   16 o  184.368   10.271  430.110   47.102  457.423   72.739  410.387   61.811  188.564   15.587  179.083   13.931 9.481384 20.90553 
1 1 1    0   30   17 o  105.813   15.959  146.174   40.859  174.687   55.466  112.341   60.419  114.566   20.122   90.656   25.577 23.91077 32.54321 
1 1 1    0   30   18 o  168.521   9.6934  358.908   40.620  400.435   63.838  330.655   52.656  176.737   14.595  160.886   13.223 15.85100 19.69431 
1 1 1    0   30   19 o  297.946   13.936  1128.58  103.688  1143.77  192.698  1122.39  123.015  292.073   26.716  295.529   16.738 -3.455322 31.52612 
1 1 1    0   30   20 o  114.035   14.867  168.287   41.328  187.154   49.433  124.477   75.326  119.744   17.010   95.418   29.026 24.32615 33.64250 
1 1 1    0   30   21 o  162.180   11.048  333.565   44.479  317.582   66.056  346.823   60.162  156.521   17.183  164.395   14.814 -7.873581 22.68711 
1 1 1    0   30   22 o  205.581   11.415  535.524   58.368  516.216   84.607  553.058   80.628  200.020   17.103  207.610   15.667 -7.590424 23.19449 
1 1 1    0   30   23 o  285.557   16.282  1045.60  115.623  1034.07  172.005  1055.11  156.170  279.134   24.939  283.691   22.222 -4.556732 33.40305 
1 1 1    0   30   24 o  107.562   11.412  147.727   30.184  122.326   46.434  166.314   39.720   95.602   20.088  113.522   14.331 -17.92019 24.67608 
1 1 1    0   30   25 o  207.080   9.7528  539.999   50.433  557.659   72.813  523.714   69.922  209.049   14.029  202.598   13.905 6.451752 19.75256 
1 1 1    0   30   26 o  171.735   10.988  373.715   46.876  362.119   67.244  384.677   65.381  167.584   16.273  173.083   15.284 -5.499817 22.32521 
1 1 1    0   30   27 o  177.010   9.9675  395.951   43.880  405.879   62.478  386.288   61.641  178.155   14.160  173.724   14.337 4.431305 20.15114 
1 1 1    0   30   28 o  101.845   10.581  132.202   26.516  144.463   39.919  122.519   35.473  105.320   15.654   96.961   15.146 8.358963 21.78191 
1 1 1    0   30   29 o  150.630   15.193  292.161   56.369  294.445   67.717  287.007  101.721  150.169   18.446  143.767   29.327 6.402267 34.64572 
1 1 1    0   30   30 o  128.901   10.615  211.099   33.865  156.179   46.942  270.701   48.902  108.869   17.888  145.333   13.634 -36.46356 22.49138 
1 1 1    0   30   31 o  293.927   11.848  1094.09   86.967  1170.49  121.220  1013.06  124.839  301.810   16.142  279.773   17.964 22.03766 24.15095 
1 1 1    0   30   32 o  136.973   9.3677  237.543   31.850  279.367   43.776  190.502   46.426  147.988   11.947  120.986   15.739 27.00211 19.76018 
1 1 1    0   30   33 o   72.506   11.776   68.320   20.590   48.224   29.551   87.281   28.705   60.556   18.127   81.443   14.653 -20.88733 23.30832 
1 1 1    0   30   34 o  178.024   10.280  402.254   45.505  370.724   61.718  439.812   67.359  169.425   14.734  184.638   14.732 -15.21306 20.83561 
1 1 1    0   30   35 o   82.158   13.458   88.441   26.655   79.183   50.292   92.059   31.434   76.412   23.801   83.225   15.701 -6.812897 28.51278 
1 1 1    0   30   36 o  126.268   13.351  206.469   41.460  144.794   64.639  249.575   54.040  100.970   25.600  137.947   15.983 -36.97679 30.18030 
1 1 1    0   30   37 o  153.314   11.652  301.655   44.277  382.239   75.604  259.588   54.625  169.626   18.129  140.535   15.842 29.09195 24.07544 
1 1 1    0   30   38 o  152.472   10.997  298.067   41.591  364.170   70.796  263.229   51.396  165.545   17.385  141.759   14.734 23.78589 22.78875 
1 1 1    0   30   39 o   94.488   12.149  116.433   28.003   77.224   48.918  135.545   34.152   74.326   23.521  101.456   13.841 -27.13032 27.29108 
1 1 1    0   30   40 o  140.896   10.997  255.705   38.386  181.095   67.182  291.868   46.772  111.614   24.752  149.878   12.614 -38.26431 27.78119 
1 1 1    0   30   41 o   92.052   13.769  112.463   30.679   0.0000   0.0000  112.463   30.679  ?   ?    92.052   13.769 0.000000 13.76912 
1 1 1    0   31    0 o  119.325   11.723  184.507   34.480  266.052   60.598  145.466   41.930  140.560   17.654  103.840   16.739 36.72028 24.32792 
1 1 1    0   31    1 o  104.893   12.374  143.197   31.788  153.272   56.678  138.574   38.395  104.210   22.443  101.991   15.569 2.219757 27.31428 
1 1 1    0   31    2 o  165.650   11.447  352.194   47.062  331.138   82.661  362.292   57.245  155.173   21.944  166.980   13.854 -11.80676 25.95131 
1 1 1    0   31    3 o  162.333   18.500  351.532   73.655   0.0000   0.0000  351.532   73.655  ?   ?   162.333   18.500 0.000000 18.49994 
1 1 1    0   31    4 o  304.488   13.932  1193.20  105.937  1094.31  186.349  1240.42  128.768  279.447   27.042  307.979   16.807 -28.53183 31.83939 
1 1 1    0   31    5 o   99.810   12.568  129.187   30.629  167.943   59.241  115.047   35.783  110.279   22.279   93.052   15.975 17.22735 27.41417 
1 1 1    0   31    6 o  187.934   11.354  450.724   53.035  475.909   95.084  439.349   63.898  188.690   20.510  184.522   13.971 4.168243 24.81588 
1 1 1    0   31    7 o   72.508   14.634   69.839   25.584   59.926   52.758   72.887   29.254   69.384   24.468   73.704   16.324 -4.319763 29.41388 
1 1 1    0   31    8 o  179.981   14.385  418.052   64.111  454.855   91.327  382.296   90.019  185.032   20.088  168.527   21.908 16.50439 29.72370 
1 1 1    0   31    9 o  170.492   11.709  371.004   49.548  185.664   88.901  454.516   59.675  113.188   30.683  188.416   12.758 -75.22814 33.22993 
1 1 1    0   31   10 o   74.650   14.669   73.760   26.370   9.1941   54.216   93.767   30.180   54.640   23.094   84.351   14.871 -29.71172 27.46809 
1 1 1    0   31   11 o  104.241   11.691  139.558   29.909   97.572   59.835  153.543   34.532   84.425   25.906  109.075   12.930 -24.65057 28.95313 
1 1 1    0   31   12 o  344.776   12.956  1513.67  111.549  1472.68  163.957  1549.00  152.207  335.354   19.664  345.475   17.702 -10.12109 26.45856 
1 1 1    0   31   13 o   97.350   15.560  124.379   36.552  183.556  114.042  117.604   38.588  112.347   35.951   94.172   17.036 18.17475 39.78349 
1 1 1    0   31   14 o  196.809   11.657  492.657   57.035  411.446   88.109  551.233   74.829  176.454   20.370  207.186   14.555 -30.73157 25.03578 
1 1 1    0   31   15 o  133.387   10.571  226.236   34.923  240.983   59.013  218.287   43.324  135.521   17.874  130.262   13.515 5.259338 22.40847 
1 1 1    0   31   16 o   97.744   11.138  122.382   26.701  156.763   49.068  107.918   31.826  108.625   18.768   90.891   14.510 17.73391 23.72311 
1 1 1    0   31   17 o  232.405   10.595  682.413   61.489  742.240   93.325  636.518   81.739  240.252   15.641  222.767   14.777 17.48561 21.51745 
1 1 1    0   31   18 o  164.809   22.495  362.413   90.160   0.0000   0.0000  362.413   90.160  ?   ?   164.809   22.495 0.000000 22.49462 
1 1 1    0   31   19 o  168.017   11.763  359.151   49.044  329.073   85.631  373.833   59.829  156.985   22.486  170.733   14.161 -13.74805 26.57319 
1 1 1    0   31   20 o  141.970   10.968  256.191   38.583  244.782   61.050  263.779   49.786  136.607   18.361  143.262   14.099 -6.654419 23.14985 
1 1 1    0   31   21 o  232.595   11.008  683.717   63.939  683.121   93.823  684.234   87.368  230.268   16.424  230.951   15.235 -0.6822052 22.40181 
1 1 1    0   31   22 o  344.851   12.879  1509.39  110.907  1609.75  159.085  1414.48  154.699  352.923   18.112  330.314   18.833 22.60922 26.12880 
1 1 1    0   31   23 o  199.322   10.269  502.521   50.938  514.219   74.964  492.486   69.429  200.158   15.109  196.147   14.272 4.010727 20.78438 
1 1 1    0   31   24 o  120.067   14.382  186.115   42.265  188.310   92.510  185.536   47.513  115.303   31.318  119.310   16.380 -4.006546 35.34277 
1 1 1    0   31   25 o  199.179   11.644  503.624   57.663  538.305   83.023  471.305   80.147  204.328   16.410  190.890   16.991 13.43828 23.62146 
1 1 1    0   31   26 o  108.773   11.042  151.000   29.577  157.786   46.076  146.245   38.573  109.541   17.428  106.073   14.979 3.467438 22.98047 
1 1 1    0   31   27 o  166.451   10.739  351.368   44.400  397.866   64.387  309.209   61.309  175.992   14.788  154.579   16.120 21.41339 21.87515 
1 1 1    0   31   28 o  227.449   10.721  653.624   60.893  662.128   86.307  645.195   85.925  227.065   15.310  224.073   15.450 2.992050 21.75145 
1 1 1    0   31   29 o  385.868   13.971  1897.90  134.622  1662.91  188.598  2142.02  192.223  355.844   21.322  406.467   18.938 -50.62329 28.51800 
1 1 1    0   31   30 o  146.028   15.864  276.646   56.918  281.714   65.822  261.624  113.325  146.449   18.405  133.990   33.856 12.45958 38.53512 
1 1 1    0   31   31 o  113.614   10.623  164.680   29.790  146.459   42.247  182.698   42.012  105.456   16.590  118.695   14.474 -13.23851 22.01661 
1 1 1    0   31   32 o   84.779   10.242   92.195   21.244   93.909   32.066   90.854   28.361   84.138   15.843   83.183   14.160 0.9550629 21.24883 
1 1 1    0   31   33 o  177.783   10.322  401.636   45.630  406.960   62.352  395.497   66.953  177.610   14.176  174.521   15.525 3.088684 21.02370 
1 1 1    0   31   34 o  142.965   9.7432  259.900   34.577  276.799   47.481  240.819   50.453  146.514   13.116  135.865   15.127 10.64920 20.02186 
1 1 1    0   31   35 o   98.264   10.133  123.763   24.508  123.880   33.851  123.634   35.528   97.072   14.401   96.703   15.215 0.3690262 20.94971 
1 1 1    0   31   36 o  156.992   11.732  316.697   45.663  389.961   80.805  282.325   55.347  170.417   19.330  146.712   15.334 23.70515 24.67294 
1 1 1    0   31   37 o  177.680   13.259  409.309   58.408  417.499   91.001  403.571   76.167  174.553   21.320  173.909   17.789 0.6437683 27.76664 
1 1 1    0   31   38 o  127.148   12.657  210.333   39.653  159.656   72.180  232.239   47.456  103.405   27.482  132.837   14.544 -29.43227 31.09336 
1 1 1    0   31   39 o  137.689   11.963  245.852   40.723  242.582   72.447  247.362   49.238  130.600   23.057  136.881   14.631 -6.280533 27.30748 
1 1 1    0   31   40 o  138.908   15.308  256.723   52.218   0.0000   0.0000  256.723   52.218  ?   ?   138.908   15.308 0.000000 15.30785 
1 1 1    0   32    0 o   62.357   20.657   53.694   37.479   52.586   46.650   55.710   62.947   63.164   22.920   67.087   26.116 -3.923229 34.74778 
1 1 1    0   32    1 o  204.839   11.886  543.905   60.540  438.788  105.524  595.477   73.913  173.428   25.095  212.882   13.982 -39.45328 28.72739 
1 1 1    0   32    2 f  208.580   11.776  561.799   61.085  676.493  107.049  506.419   74.385  222.836   19.432  195.759   15.339 27.07712 24.75652 
1 1 1    0   32    3 o  114.496   12.657  170.942   35.584  177.431   65.658  168.243   42.342  110.877   24.377  112.427   15.493 -1.550598 28.88411 
1 1 1    0   32    4 o  220.430   12.092  625.431   66.309  467.650  115.820  702.367   80.876  180.625   26.462  232.467   13.997 -51.84154 29.93615 
1 1 1    0   32    5 o  175.926   18.905  414.965   81.749   0.0000   0.0000  414.965   81.749  ?   ?   175.926   18.905 0.000000 18.90464 
1 1 1    0   32    6 o  254.934   13.037  836.822   82.720  764.140  145.846  871.291  100.437  234.041   25.360  258.449   15.636 -24.40723 29.79294 
1 1 1    0   32    7 o  298.451   13.789  1146.16  102.770  1100.98  180.469  1167.84  125.022  281.255   25.989  298.694   16.830 -17.43887 30.96257 
1 1 1    0   32    8 o   94.408   13.075  116.177   29.998  103.926   61.453  120.010   34.371   85.945   26.233   95.403   14.916 -9.458252 30.17696 
1 1 1    0   32    9 o  177.096   11.824  401.310   51.991  249.529   93.892  468.427   62.437  131.219   29.385  190.847   13.182 -59.62816 32.20596 
1 1 1    0   32   10 o  365.158   19.181  1755.71  174.296  1427.58  245.957  2086.71  247.031  315.566   31.638  390.644   25.462 -75.07758 40.61141 
1 1 1    0   32   11 o  151.175   13.089  294.064   48.926  115.172   90.014  369.076   58.288   91.703   31.986  169.171   13.921 -77.46808 34.88428 
1 1 1    0   32   12 o  256.968   12.998  844.981   83.138  601.568  146.659  960.243  100.920  206.753   29.220  272.973   14.861 -66.22023 32.78185 
1 1 1    0   32   13 o  219.601   11.381  613.752   62.200  572.694   99.457  640.125   79.712  208.435   19.328  223.035   14.389 -14.59990 24.09577 
1 1 1    0   32   14 o  259.559   11.885  856.139   77.034  795.321  117.156  902.460  102.245  246.086   19.217  264.435   15.552 -18.34943 24.72171 
1 1 1    0   32   15 o   92.597   15.685  113.044   34.973  207.556  122.386  104.640   36.495  117.891   37.193   88.598   17.115 29.29230 40.94149 
1 1 1    0   32   16 o  142.145   10.995  257.406   38.726  195.985   65.712  290.088   47.934  119.931   22.774  150.412   12.886 -30.48067 26.16726 
1 1 1    0   32   17 o   54.863   15.013   39.821   21.165 -17.9858   45.961   55.379   23.844   44.312   19.910   64.494   15.075 -20.18237 24.97374 
1 1 1    0   32   18 o   83.572   13.190   90.987   26.613   57.402   51.092  103.492   31.176   68.567   24.088   88.888   14.549 -20.32087 28.14066 
1 1 1    0   32   19 o  124.924   12.334  200.053   37.974  193.176   57.219  205.466   50.765  120.383   19.717  125.330   16.631 -4.946922 25.79419 
1 1 1    0   32   20 o  234.956   15.792  711.544   92.116  758.528  125.881  657.381  135.156  239.653   21.255  220.734   24.958 18.91884 32.78234 
1 1 1    0   32   21 o  103.894   11.757  138.511   29.966  112.254   51.393  152.037   36.886   90.532   22.758  108.342   13.958 -17.81026 26.69732 
1 1 1    0   32   22 o  132.184   10.820  222.409   35.402  244.815   58.129  209.198   44.635  136.757   17.417  127.262   14.292 9.495132 22.53009 
1 1 1    0   32   23 o   80.276   12.849   83.860   24.889   72.311   45.286   88.858   29.791   73.662   22.526   82.126   15.082 -8.464844 27.10901 
1 1 1    0   32   24 o  194.927   10.757  481.926   52.160  525.644   77.671  446.013   70.396  201.946   15.521  186.020   15.290 15.92560 21.78675 
1 1 1    0   32   25 o  237.554   11.708  715.441   69.451  763.671  100.542  671.424   96.050  243.033   16.667  227.649   17.019 15.38397 23.82106 
1 1 1    0   32   26 o  145.381   15.201  273.529   54.369  177.848  105.251  308.352   63.496  110.929   34.412  153.872   16.798 -42.94327 38.29257 
1 1 1    0   32   27 o  291.362   12.974  1080.77   94.396  1159.49  134.163  1003.58  132.840  298.613   18.077  276.950   19.329 21.66254 26.46478 
1 1 1    0   32   28 o  322.000   11.845  1316.46   95.244  1312.82  134.708  1320.09  134.682  318.356   17.006  319.274   16.953 -0.9181519 24.01290 
1 1 1    0   32   29 o  156.497   10.350  311.204   40.221  314.745   58.441  308.017   55.440  155.848   15.210  154.397   14.551 1.451340 21.04931 
1 1 1    0   32   30 f  131.796   10.305  221.209   33.645  225.721   49.588  217.361   45.799  131.602   15.379  129.441   14.414 2.161148 21.07769 
1 1 1    0   32   31 o   52.021   13.802   35.917   18.225   9.1159   30.589   50.668   22.693   42.935   17.683   61.558   14.918 -18.62334 23.13526 
1 1 1    0   32   32 o   94.911   17.575  120.913   40.121  121.756   43.209  115.634  108.069   94.777   18.919   92.963   34.685 1.814240 39.50930 
1 1 1    0   32   33 o   50.702   12.123   34.130   15.142   61.665   25.680   19.455   18.747   67.711   15.519   41.229   14.581 26.48167 21.29433 
1 1 1    0   32   34 f  149.325   10.686  285.243   39.585  274.164   54.547  297.570   57.536  144.568   15.344  150.587   15.523 -6.018906 21.82663 
1 1 1    0   32   35 o   78.750   11.055   80.618   21.141   66.288   30.568   93.757   29.269   69.582   17.584   83.974   14.481 -14.39126 22.77930 
1 1 1    0   32   36 o  148.004   10.325  280.635   37.921  256.101   52.128  308.212   55.266  139.291   15.235  153.247   14.619 -13.95612 21.11422 
1 1 1    0   32   37 o  132.432   12.210  227.767   39.924  265.034   77.796  214.444   46.516  136.312   23.716  127.279   14.918 9.033234 28.01772 
1 1 1    0   32   38 o   80.749   15.244   88.181   29.612   22.434   64.478  105.756   33.336   59.810   25.227   88.444   15.667 -28.63370 29.69631 
1 1 1    0   32   39 o  100.680   15.754  136.838   38.310   0.0000   0.0000  136.838   38.310  ?   ?   100.680   15.754 0.000000 15.75391 
1 1 1    0   33    0 o   52.745   16.741   38.511   24.768   22.262   49.579   43.915   28.591   52.954   22.217   55.966   18.011 -3.012211 28.60024 
1 1 1    0   33    1 o   69.426   16.547   67.872   28.280   43.911   52.825   77.498   33.482   60.578   23.825   73.505   18.309 -12.92694 30.04793 
1 1 1    0   33    2 o   68.809   21.735   68.505   41.787   79.882   54.815   52.720   64.567   73.496   24.988   66.059   26.226 7.436951 36.22398 
1 1 1    0   33    3 o  149.119   11.900  289.876   43.943  256.328   78.243  305.333   53.109  131.543   24.727  151.753   14.179 -20.20961 28.50363 
1 1 1    0   33    4 o  224.241   12.362  653.315   68.958  546.685  120.645  705.054   84.039  193.266   25.630  231.195   14.632 -37.92892 29.51268 
1 1 1    0   33    5 o  263.116   13.095  898.103   86.037  804.231  150.984  943.243  104.700  235.403   26.125  267.016   15.772 -31.61371 30.51675 
1 1 1    0   33    6 o  162.794   12.364  343.316   49.889  294.973   90.616  364.342   59.761  142.099   26.512  166.620   14.508 -24.52083 30.22177 
1 1 1    0   33    7 o  189.696   19.353  486.251   90.392   0.0000   0.0000  486.251   90.392  ?   ?   189.696   19.353 0.000000 19.35298 
1 1 1    0   33    8 o   72.552   15.995   71.275   28.198   49.089   68.565   75.792   30.936   68.598   27.091   74.576   16.991 -5.977921 31.97854 
1 1 1    0   33    9 o  133.671   12.265  230.759   40.485  168.088   76.684  254.976   47.669  106.764   28.304  139.958   13.820 -33.19480 31.49755 
1 1 1    0   33   10 o  116.008   12.421  174.178   35.423   96.830   70.172  200.628   41.035   83.457   28.272  124.234   13.441 -40.77649 31.30496 
1 1 1    0   33   11 o  126.997   16.398  213.038   50.788   88.960   72.320  333.776   71.341   81.407   28.654  158.372   18.381 -76.96451 34.04262 
1 1 1    0   33   12 f   41.191   15.191   17.809   20.610   10.165   52.794   19.184   22.386   53.855   22.778   42.785   15.821 11.07073 27.73303 
1 1 1    0   33   13 o   70.462   14.956   66.311   25.503   10.884   58.567   79.279   28.329   56.460   23.941   77.118   15.251 -20.65801 28.38593 
1 1 1    0   33   14 o   48.963   15.343   30.826   20.863   60.704   49.559   24.391   23.001   68.944   23.752   45.865   16.158 23.07872 28.72654 
1 1 1    0   33   15 o   37.366   14.184   13.073   18.243 -14.4933   48.070   17.711   19.718   45.970   20.529   40.759   14.884 5.210655 25.35696 
1 1 1    0   33   16 o   31.794   13.124   4.1264   16.900   60.001   52.992  -2.1997   17.831   69.475   24.520   29.790   12.928 39.68494 27.71911 
1 1 1    0   33   17 o  152.283   17.404  304.750   64.994   0.0000   0.0000  304.750   64.994  ?   ?   152.283   17.404 0.000000 17.40371 
1 1 1    0   33   18 o  184.599   13.003  437.012   59.556  392.910   82.569  484.839   85.985  172.149   19.554  192.170   18.132 -20.02127 26.66709 
1 1 1    0   33   19 o  140.702   11.808  253.352   41.104  213.216   67.911  276.556   51.636  125.002   22.587  146.236   14.324 -21.23403 26.74583 
1 1 1    0   33   20 o  221.830   10.903  623.867   60.397  671.602   92.726  588.693   79.597  227.452   16.436  213.560   15.021 13.89166 22.26594 
1 1 1    0   33   21 f  173.563   12.484  385.516   53.748  296.131   82.688  450.912   70.728  147.569   23.205  186.675   15.307 -39.10559 27.79860 
1 1 1    0   33   22 o   74.695   21.858   75.656   43.367   59.749   50.445  120.709   84.895   69.066   23.953   93.280   31.098 -24.21477 39.25379 
1 1 1    0   33   23 o  141.803   11.242  256.668   39.482  264.950   62.719  251.230   50.815  141.697   18.141  139.165   14.851 2.532166 23.44515 
1 1 1    0   33   24 o  289.868   12.747  1071.26   92.273  1122.52  134.086  1025.15  127.176  292.945   18.423  279.998   18.289 12.94641 25.95963 
1 1 1    0   33   25 o  248.344   11.744  784.081   72.832  860.996  107.062  717.826   99.367  257.392   16.748  234.754   17.067 22.63795 23.91190 
1 1 1    0   33   26 o  190.985   11.703  465.476   55.547  460.591   81.697  469.676   75.750  187.437   17.662  190.041   16.114 -2.603439 23.90839 
1 1 1    0   33   27 o  150.057   14.342  291.574   53.087  185.638  116.140  319.554   59.687  111.219   36.340  156.713   15.453 -45.49374 39.48913 
1 1 1    0   33   28 o  218.462   15.877  620.516   86.023  556.462  142.891  656.928  107.734  197.327   29.938  222.562   19.584 -25.23445 35.77420 
1 1 1    0   33   29 o  145.234   10.385  268.957   37.415  272.151   55.629  266.319   50.558  144.215   15.701  143.189   14.332 1.026169 21.25813 
1 1 1    0   33   30 o   76.552   12.203   76.617   22.545   90.038   37.739   69.168   28.113   81.125   18.968   71.644   16.105 9.480766 24.88321 
1 1 1    0   33   31 o  200.499   10.437  512.420   52.075  517.394   73.836  507.497   73.456  199.362   14.940  197.396   15.014 1.965546 21.18084 
1 1 1    0   33   32 o  144.372   10.374  266.523   37.152  274.271   53.543  259.330   51.592  144.635   15.045  140.660   14.915 3.975250 21.18518 
1 1 1    0   33   33 o   94.600   17.763  121.630   40.421  126.366   43.426   90.923  110.584   96.045   18.779   85.745   34.233 10.29978 39.04559 
1 1 1    0   33   34 f  186.134   11.010  444.678   50.949  432.886   70.954  457.230   73.203  181.041   15.854  186.058   15.908 -5.016922 22.45967 
1 1 1    0   33   35 o  149.523   10.156  286.644   37.698  294.269   53.064  278.874   53.564  149.588   14.383  145.283   14.979 4.305023 20.76617 
1 1 1    0   33   36 o   73.767   11.143   71.318   19.886   76.343   29.427   67.094   26.978   74.655   16.246   70.042   15.800 4.613167 22.66270 
1 1 1    0   33   37 o   57.737   11.470   44.356   15.955   49.920   24.088   40.007   21.296   60.298   15.805   54.243   15.143 6.055817 21.88856 
1 1 1    0   33   38 o  113.540   15.368  173.276   42.452   72.696   88.814  203.062   48.331   75.961   30.554  122.591   16.183 -46.63039 34.57561 
1 1 1    0   34    0 o   66.826   17.117   65.853   28.691   57.945   57.201   68.511   33.164   62.634   24.742   67.208   18.945 -4.574577 31.16214 
1 1 1    0   34    1 o   85.563   15.218  102.720   31.323   29.329   59.311  131.107   36.887   56.355   24.001   96.460   15.865 -40.10427 28.77082 
1 1 1    0   34    2 f   35.147   14.926   4.1032   22.818 -77.9486   49.950   25.742   25.651   34.954   17.104   45.966   16.948 -11.01284 24.07866 
1 1 1    0   34    3 o   50.534   20.372   24.823   39.578   48.044   52.601  -5.4777   60.086   61.300   23.871   50.421   22.700 10.87885 32.94116 
1 1 1    0   34    4 o  126.289   12.559  211.095   39.080  160.047   72.348  232.127   46.438   99.124   27.996  131.358   14.393 -32.23375 31.47876 
1 1 1    0   34    5 o  195.026   12.262  497.956   59.416  400.241  105.864  542.890   71.789  161.089   27.291  201.988   14.325 -40.89856 30.82246 
1 1 1    0   34    6 o  129.598   12.572  220.609   40.174  160.888   75.771  243.962   47.382  100.552   28.738  135.435   14.222 -34.88295 32.06511 
1 1 1    0   34    7 o  149.651   11.683  290.936   43.312  332.177   82.029  274.993   51.002  152.831   22.138  144.051   14.370 8.779709 26.39304 
1 1 1    0   34    8 o  162.505   18.705  360.581   74.520   0.0000   0.0000  360.581   74.520  ?   ?   162.505   18.705 0.000000 18.70492 
1 1 1    0   34    9 o   70.092   16.232   67.280   27.851  -3.4436   61.192   85.759   31.279   53.174   23.485   79.282   16.342 -26.10870 28.61174 
1 1 1    0   34   10 o   85.988   14.555   98.703   30.138 -23.5547   62.922  135.100   34.332   50.279   22.872  101.139   13.966 -50.86034 26.79876 
1 1 1    0   34   11 o   69.341   15.936   65.362   27.015 -29.3597   60.589   88.865   30.181   48.414   22.183   81.277   15.435 -32.86241 27.02449 
1 1 1    0   34   12 o  140.251   12.336  254.460   42.764  102.857   80.728  313.597   50.419   85.311   30.247  155.465   13.109 -70.15366 32.96600 
1 1 1    0   34   13 o   49.610   19.932   18.922   37.749   34.579   54.468   4.4506   52.365   60.739   24.096   51.875   22.332 8.864052 32.85342 
1 1 1    0   34   14 o  150.783   13.146  294.484   49.003  125.266   89.071  367.934   58.682   92.726   31.848  168.221   14.099 -75.49454 34.82911 
1 1 1    0   34   15 o   91.261   13.357  109.173   29.539  104.694   61.300  110.528   33.711   85.763   26.205   91.177   15.351 -5.413849 30.37060 
1 1 1    0   34   16 o  248.887   13.322  798.219   82.498  729.344  146.758  830.038   99.750  228.046   26.250  252.155   15.923 -24.10957 30.70191 
1 1 1    0   34   17 f  236.420   18.117  738.505  106.148  738.505  106.148   0.0000   0.0000  236.420   18.117  ?   ?  0.000000 18.11729 
1 1 1    0   34   18 o   64.102   17.693   55.571   29.250 -125.7473  142.586   63.537   29.886   65.745   31.341   68.417   17.440 -2.671570 35.86710 
1 1 1    0   34   19 o  235.851   13.124  715.289   76.987  574.464  116.991  822.849  102.244  205.006   23.264  251.010   16.402 -46.00375 28.46500 
1 1 1    0   34   20 o  101.420   12.429  133.314   30.820  135.309   56.430  132.467   36.792   98.252   23.344  100.222   15.175 -1.969757 27.84337 
1 1 1    0   34   21 o  152.393   11.148  297.018   42.131  331.146   69.243  276.956   53.089  158.159   17.844  145.821   14.784 12.33730 23.17245 
1 1 1    0   34   22 o  111.866   12.251  161.633   33.663  109.358   58.447  187.582   41.179   87.988   25.269  120.027   14.002 -32.03936 28.88913 
1 1 1    0   34   23 o  138.791   17.056  254.598   57.870  232.590   72.147  294.303   96.904  129.685   23.126  143.202   28.102 -13.51704 36.39420 
1 1 1    0   34   24 o  157.680   11.496  318.490   44.955  320.815   71.406  316.964   57.861  155.069   18.826  155.918   15.047 -0.8486633 24.10064 
1 1 1    0   34   25 o  227.756   11.586  663.291   65.676  712.925   97.940  622.735   88.531  233.086   16.942  218.125   16.373 14.96080 23.56073 
1 1 1    0   34   26 o  268.896   12.120  924.744   81.385  990.579  118.838  866.596  111.686  274.378   17.435  256.491   17.542 17.88751 24.73276 
1 1 1    0   34   27 o  102.334   12.893  136.376   32.217   84.131   52.213  168.495   40.939   77.787   24.255  113.208   14.839 -35.42084 28.43366 
1 1 1    0   34   28 o  160.846   10.845  331.139   43.305  363.244   65.889  306.726   57.457  166.139   16.083  152.960   15.245 13.17915 22.16037 
1 1 1    0   34   29 o  166.805   15.022  364.355   61.901  396.871  129.568  354.739   70.462  160.820   33.357  163.206   17.566 -2.386200 37.69936 
1 1 1    0   34   30 o  130.436   11.117  218.943   35.865  205.339   54.006  229.677   47.970  123.370   18.065  132.154   14.789 -8.784462 23.34705 
1 1 1    0   34   31 o   40.829   13.230   21.058   15.408   25.256   30.880   19.666   17.779   48.974   18.486   40.771   14.216 8.202568 23.32024 
1 1 1    0   34   32 f   74.696   12.188   73.545   21.950   82.449   35.860   68.210   27.757   76.970   18.815   70.695   16.085 6.274902 24.75356 
1 1 1    0   34   33 o  111.651   11.348  161.680   31.199  140.736   46.070  179.423   42.402  100.816   18.996  116.155   14.967 -15.33878 24.18369 
1 1 1    0   34   34 o  239.542   18.399  778.039  109.218  889.644  136.843  582.187  181.277  252.105   21.956  180.720   41.097 71.38419 46.59442 
1 1 1    0   34   35 o  184.678   11.791  442.426   54.092  436.864   83.672  446.419   70.899  178.265   19.093  182.933   15.672 -4.667908 24.70089 
1 1 1    0   34   36 o   61.004   12.015   49.760   17.652   54.490   27.790   46.561   22.854   62.572   17.236   58.197   15.463 4.375240 23.15532 
1 1 1    0   34   37 o  151.802   14.627  307.089   54.763   69.345  115.141  376.591   62.255   78.212   33.378  167.953   15.001 -89.74144 36.59444 
1 1 1    0   34   38 f   92.964   15.282  117.524   34.244   0.0000   0.0000  117.524   34.244  ?   ?    92.964   15.282 0.000000 15.28207 
1 1 1    0   35    0 o   61.775   17.612   58.920   28.494   15.794   56.349   73.737   33.028   49.923   22.265   68.337   18.776 -18.41404 29.12530 
1 1 1    0   35    1 o   39.189   16.797   7.7537   29.385   0.0000   0.0000   7.7537   29.385  ?   ?    39.189   16.797 0.000000 16.79682 
1 1 1    0   35    2 o  142.850   12.591  277.374   44.457  250.337   80.643  289.178   53.286  118.543   27.735  143.393   15.109 -24.85017 31.58306 
1 1 1    0   35    3 o   56.108   17.309   45.896   26.670   48.883   55.925   45.017   30.343   60.065   24.216   55.646   18.593 4.418854 30.53013 
1 1 1    0   35    4 o   75.982   16.038   82.351   29.475   64.021   60.305   88.104   33.785   65.690   25.565   77.603   17.811 -11.91306 31.15801 
1 1 1    0   35    5 o  179.690   16.073  446.770   71.363  369.779   98.607  531.443  103.410  150.791   27.187  187.788   22.500 -36.99728 35.28975 
1 1 1    0   35    6 o   53.214   16.900   39.276   25.237   25.032   56.316   42.855   28.230   55.686   23.537   55.384   17.904 0.3023872 29.57278 
1 1 1    0   35    7 o   84.490   14.905   97.980   30.297   59.093   64.955  108.792   34.251   66.954   26.392   88.512   16.089 -21.55784 30.90931 
1 1 1    0   35    8 o  135.510   12.824  242.852   42.878  115.058   79.833  294.664   50.833   84.242   30.057  148.699   13.849 -64.45695 33.09362 
1 1 1    0   35    9 o  129.278   13.181  221.150   41.956   71.447   79.699  278.541   49.347   73.356   29.133  144.831   13.812 -71.47454 32.24097 
1 1 1    0   35   10 f   91.693   19.071  118.713   42.244   0.0000   0.0000  118.713   42.244  ?   ?    91.693   19.071 0.000000 19.07060 
1 1 1    0   35   11 o  104.716   14.258  146.281   36.314   57.900   72.533  175.844   41.950   69.838   27.774  114.575   15.024 -44.73680 31.57756 
1 1 1    0   35   12 o   65.584   16.364   59.334   26.713   67.581   60.631   57.348   29.757   70.970   26.072   64.240   17.889 6.729919 31.61920 
1 1 1    0   35   13 o   57.622   16.175   45.326   24.227   63.710   58.418   41.507   26.625   69.667   25.592   55.566   17.319 14.10074 30.90178 
1 1 1    0   35   14 o  133.964   17.155  241.875   56.071  152.275   77.445  340.583   81.286   99.441   29.241  156.347   21.380 -56.90617 36.22370 
1 1 1    0   35   15 o   53.112   21.226   24.666   42.561   17.688   59.428   32.013   60.982   57.302   24.197   61.394   25.089 -4.092133 34.85603 
1 1 1    0   35   16 o   81.876   26.591   96.897   62.220   96.897   62.220   0.0000   0.0000   81.876   26.591  ?   ?  0.000000 26.59113 
1 1 1    0   35   17 o   37.965   14.639   13.116   19.631 -20.6043   51.865   18.754   21.208   45.942   20.848   41.756   15.408 4.186352 25.92320 
1 1 1    0   35   18 o  131.221   12.415  223.387   40.198  176.570   70.567  245.876   48.909  109.807   26.116  136.798   14.540 -26.99079 29.89047 
1 1 1    0   35   19 o  179.285   12.405  415.266   55.197  395.907   89.232  427.264   70.249  169.498   21.571  180.035   15.785 -10.53690 26.72925 
1 1 1    0   35   20 o  129.431   15.860  222.137   50.188  285.581  158.982  215.115   52.893  126.714   42.557  126.730   17.154 -0.1692200E-01 45.88471 
1 1 1    0   35   21 o  135.895   11.940  238.609   40.108  231.897   68.007  242.188   49.664  129.115   21.873  135.674   14.904 -6.559570 26.46847 
1 1 1    0   35   22 o  104.122   12.342  141.117   31.466  171.089   57.851  128.525   37.498  110.603   21.721   98.029   15.860 12.57366 26.89451 
1 1 1    0   35   23 o   94.884   12.117  117.321   28.055  159.557   53.487  101.290   32.952  107.190   20.732   86.814   15.781 20.37570 26.05495 
1 1 1    0   35   24 o  216.261   11.406  600.469   61.377  614.620   93.765  589.860   81.187  214.780   17.638  211.935   15.447 2.845184 23.44565 
1 1 1    0   35   25 f  135.670   18.321  248.702   60.484  299.012   73.247  140.872  107.234  147.671   20.408   96.097   34.769 51.57414 40.31584 
1 1 1    0   35   26 o  151.446   11.098  295.042   41.678  335.439   66.740  269.218   53.362  158.452   17.140  142.810   15.196 15.64250 22.90679 
1 1 1    0   35   27 o  285.496   13.471  1056.58   96.038  1078.34  139.799  1037.14  132.159  281.719   20.002  277.125   19.216 4.593475 27.73673 
1 1 1    0   35   28 o  149.340   11.551  288.084   42.741  267.639   65.774  303.028   56.232  139.837   19.354  151.460   15.067 -11.62334 24.52800 
1 1 1    0   35   29 o   53.527   14.098   38.711   19.105   60.205   38.348   31.615   22.034   66.029   20.818   49.238   15.808 16.79048 26.13938 
1 1 1    0   35   30 o   90.265   11.862  106.687   26.091  137.832   44.923   90.835   32.050   99.764   18.720   81.550   16.308 18.21379 24.82695 
1 1 1    0   35   31 o   96.253   16.426  126.056   38.064  -0.5885  133.681  137.229   39.707   72.927   33.238  100.536   16.380 -27.60923 37.05476 
1 1 1    0   35   32 o  186.601   11.391  450.743   52.827  445.875   77.583  454.951   72.132  181.463   17.332  184.506   15.808 -3.043533 23.45817 
1 1 1    0   35   33 o   99.128   11.060  128.116   26.910  147.409   41.745  114.398   35.201  103.842   16.662   91.559   15.977 12.28333 23.08404 
1 1 1    0   35   34 o  203.252   11.944  538.034   60.355  502.924   85.552  572.821   85.158  191.475   18.107  205.764   16.718 -14.28877 24.64461 
1 1 1    0   35   35 o  152.646   11.070  302.705   41.910  323.980   60.486  283.059   58.125  154.878   15.863  144.299   16.423 10.57906 22.83312 
1 1 1    0   35   36 o  147.796   16.925  299.014   61.339  311.862   67.532  238.436  146.635  149.778   18.445  108.147   40.392 41.63127 44.40450 
1 1 1    0   35   37 o  145.842   16.419  290.388   58.757   0.0000   0.0000  290.388   58.757  ?   ?   145.842   16.419 0.000000 16.41904 
1 1 1    0   36    0 o   40.210   16.372   17.651   25.848   45.197   56.845   10.471   29.022   54.373   23.335   38.802   16.664 15.57136 28.67398 
1 1 1    0   36    1 o   54.087   17.955   45.992   28.310  -0.2496   59.980   59.246   32.111   46.786   21.664   60.223   19.057 -13.43723 28.85291 
1 1 1    0   36    2 o  139.486   13.698  274.742   47.099  108.448   86.255  345.388   56.220   70.276   29.382  155.190   14.681 -84.91449 32.84552 
1 1 1    0   36    3 o   63.415   19.360   64.006   33.467   0.0000   0.0000   64.006   33.467  ?   ?    63.415   19.360 0.000000 19.35995 
1 1 1    0   36    4 o   55.066   17.585   45.380   27.296   47.295   58.038   44.836   30.930   58.327   24.219   54.734   18.769 3.592644 30.64071 
1 1 1    0   36    5 o  138.547   12.788  261.707   43.745  148.644   79.916  310.079   52.272   86.231   30.135  149.489   14.172 -63.25820 33.30130 
1 1 1    0   36    6 o  105.071   20.062  167.282   50.719  157.578   70.195  177.882   73.365   93.447   27.929   99.263   28.247 -5.815804 39.72311 
1 1 1    0   36    7 o   32.924   14.378  -0.6134   22.351  -6.7029   58.993   0.4072   24.152   48.680   22.145   34.453   14.998 14.22657 26.74632 
1 1 1    0   36    8 o   75.691   16.331   81.729   29.961   24.481   63.221   98.311   34.025   56.602   24.452   82.788   17.026 -26.18601 29.79619 
1 1 1    0   36    9 o   59.442   16.909   50.508   26.294   11.828   60.256   59.606   29.223   53.534   23.487   64.197   17.671 -10.66307 29.39181 
1 1 1    0   36   10 o   63.421   16.768   57.257   26.961 -14.7060   58.668   76.524   30.356   48.180   21.982   73.345   16.919 -25.16576 27.73896 
1 1 1    0   36   11 o   47.434   17.481   26.969   27.288   0.0000   0.0000   26.969   27.288  ?   ?    47.434   17.481 0.000000 17.48132 
1 1 1    0   36   12 o   16.341   8.2060 -42.7863   14.739   0.0000   0.0000 -42.7863   14.739  ?   ?    16.341   8.2060 0.000000 8.206006 
1 1 1    0   36   13 o   89.132   14.640  107.851   31.453   27.971   63.924  133.367   36.129   59.532   25.115   99.086   15.077 -39.55421 29.29266 
1 1 1    0   36   14 o   39.235   15.528   13.114   22.568   0.0000   0.0000   13.114   22.568  ?   ?    39.235   15.528 0.000000 15.52758 
1 1 1    0   36   15 o   66.657   25.539   56.705   59.489   56.705   59.489   0.0000   0.0000   66.657   25.539  ?   ?  0.000000 25.53864 
1 1 1    0   36   16 o   78.205   22.679   89.730   46.876   99.584   61.925   76.508   71.735   81.171   26.536   74.356   28.150 6.814095 38.68558 
1 1 1    0   36   17 o   42.965   15.480   21.500   21.224   12.649   52.629   23.219   23.194   52.907   22.572   44.646   16.168 8.260239 27.76504 
1 1 1    0   36   18 o  116.994   13.174  180.414   37.819   91.803   71.860  214.360   44.477   79.217   28.489  127.088   14.260 -47.87105 31.85911 
1 1 1    0   36   19 o  138.552   12.510  250.882   42.818  228.223   78.495  260.481   51.089  123.324   26.292  139.958   14.844 -16.63438 30.19275 
1 1 1    0   36   20 o  154.060   12.131  308.840   46.293  313.387   77.630  306.330   57.669  149.138   21.463  151.562   15.453 -2.424301 26.44716 
1 1 1    0   36   21 o  217.852   12.205  616.001   66.130  647.669  104.676  594.967   85.311  217.172   19.510  210.974   16.320 6.198212 25.43559 
1 1 1    0   36   22 o   86.098   17.243  102.170   35.781   40.252  165.346  105.213   36.650   82.760   37.421   87.325   17.417 -4.564613 41.27541 
1 1 1    0   36   23 o   92.836   13.600  114.514   30.593   82.374   55.022  128.896   36.807   75.554   25.029   97.722   15.608 -22.16727 29.49652 
1 1 1    0   36   24 o   78.439   13.479   82.223   25.450  127.782   52.041   67.903   29.177   93.819   22.503   70.015   16.884 23.80389 28.13255 
1 1 1    0   36   25 o  114.835   12.452  172.796   35.135  202.005   60.372  157.837   43.205  119.539   20.990  107.788   16.583 11.75056 26.75049 
1 1 1    0   36   26 o  130.196   17.803  231.838   56.364  257.004   65.326  158.527  111.497  135.815   19.847   97.169   35.408 38.64553 40.59089 
1 1 1    0   36   27 o   48.589   20.062   15.898   39.501   25.758   42.945 -38.2940  100.678   53.077   21.283   60.083   27.907 -7.005650 35.09661 
1 1 1    0   36   28 o  125.267   12.124  205.294   37.450  183.238   60.104  219.292   47.881  112.593   22.166  127.839   15.303 -15.24624 26.93477 
1 1 1    0   36   29 o  131.724   12.175  227.178   39.597  200.297   61.848  245.849   51.546  117.899   21.810  135.167   15.555 -17.26796 26.78895 
1 1 1    0   36   30 o   61.009   14.514   51.067   21.791   58.438   41.146   48.194   25.690   64.619   21.651   58.917   16.697 5.702095 27.34141 
1 1 1    0   36   31 o   92.822   12.971  114.720   29.246  103.255   47.203  121.864   37.258   83.505   22.239   94.042   16.465 -10.53661 27.67114 
1 1 1    0   36   32 o   65.661   16.271   60.261   26.544  137.616  138.484   57.311   27.045   89.936   37.383   63.907   16.745 26.02900 40.96257 
1 1 1    0   36   33 o  132.130   11.503  228.502   37.577  220.164   56.181  235.252   50.548  125.325   18.509  131.569   15.695 -6.243774 24.26714 
1 1 1    0   36   34 o  204.988   11.310  547.719   57.673  542.559   82.511  552.649   80.644  199.135   16.748  201.594   16.155 -2.458420 23.26977 
1 1 1    0   36   35 o   56.788   13.428   44.217   18.743   43.306   31.685   44.708   23.247   56.283   18.998   56.618   15.827 -0.3353653 24.72721 
1 1 1    0   36   36 o   57.616   16.093   46.521   24.046   0.0000   0.0000   46.521   24.046  ?   ?    57.616   16.093 0.000000 16.09342 
1 1 1    0   37    0 o   35.941   17.198 -25.6218   43.780 -19.0927   55.769 -36.1074   70.674   40.695   19.455   42.364   20.647 -1.668625 28.36899 
1 1 1    0   37    1 o   35.840   15.503   7.5787   25.477   58.431   58.965  -4.0937   28.250   56.019   23.896   33.706   15.330 22.31217 28.39076 
1 1 1    0   37    2 o   81.728   17.479  106.008   34.593   72.767   70.835  116.418   39.642   60.121   25.928   83.674   19.357 -23.55296 32.35645 
1 1 1    0   37    3 o   89.727   16.811  123.783   36.282   30.843   72.233  155.144   41.960   53.521   24.408   99.972   17.442 -46.45027 29.99986 
1 1 1    0   37    4 o   89.881   21.810  138.248   48.454   0.0000   0.0000  138.248   48.454  ?   ?    89.881   21.810 0.000000 21.80970 
1 1 1    0   37    5 o   51.432   17.590   39.907   27.164   49.864   63.579   37.684   30.044   57.838   24.746   50.498   18.383 7.339706 30.82733 
1 1 1    0   37    6 o   58.866   17.834   53.477   28.479   56.500   70.829   52.894   31.104   60.745   26.058   58.194   18.792 2.551540 32.12711 
1 1 1    0   37    7 o   34.888   14.811   5.8735   22.455 -48.0675   55.690   16.346   24.538   39.826   19.145   40.199   16.099 -0.3732376 25.01442 
1 1 1    0   37    8 o   53.490   21.238   37.610   42.346   48.301   58.858   26.138   60.969   59.159   24.463   54.348   23.740 4.810436 34.08826 
1 1 1    0   37    9 o   27.971   12.898 -12.4699   20.933 -18.0541   56.161 -11.5689   22.559   45.045   20.895   29.451   13.510 15.59410 24.88196 
1 1 1    0   37   10 o   58.720   17.143   50.551   26.704   19.515   60.083   58.191   29.811   53.757   23.522   62.514   18.074 -8.756966 29.66378 
1 1 1    0   37   11 o   80.683   15.636   92.289   30.366   82.777   66.092   94.835   34.188   71.096   26.995   80.670   17.476 -9.574692 32.15797 
1 1 1    0   37   12 o   40.641   15.643   17.586   22.386   45.918   56.815   12.379   24.356   60.334   24.378   39.225   15.922 21.10976 29.11739 
1 1 1    0   37   13 o   43.193   16.933   19.009   26.603   0.0000   0.0000   19.009   26.603  ?   ?    43.193   16.933 0.000000 16.93274 
1 1 1    0   37   14 o   56.077   23.856   25.211   58.481   25.211   58.481   0.0000   0.0000   56.077   23.856  ?   ?  0.000000 23.85631 
1 1 1    0   37   15 o   28.994   12.875  -4.5657   18.635 -13.2098   52.687  -3.3296   19.923   46.045   20.940   30.459   13.430 15.58634 24.87612 
1 1 1    0   37   16 o   51.992   16.440   37.166   23.902   46.868   59.054   35.265   26.139   62.295   24.965   51.231   17.256 11.06392 30.34849 
1 1 1    0   37   17 o   42.061   15.543   20.252   21.599   51.678   54.912   14.500   23.492   63.155   24.446   40.116   15.853 23.03967 29.13674 
1 1 1    0   37   18 o   42.826   19.180  -7.9029   42.283 -20.3681   52.789   14.410   70.627   45.103   20.681   58.019   25.442 -12.91621 32.78684 
1 1 1    0   37   19 o   42.567   15.593   21.000   21.663 -26.5345   54.137   30.062   23.638   44.669   20.648   48.105   16.409 -3.435986 26.37383 
1 1 1    0   37   20 o   63.648   15.881   56.609   25.159   86.788   56.122   49.018   28.145   75.549   25.286   59.086   17.691 16.46243 30.86001 
1 1 1    0   37   21 o   71.325   15.790   70.748   27.380   20.286   57.680   85.426   31.108   55.731   23.700   78.244   16.443 -22.51337 28.84611 
1 1 1    0   37   22 o  119.458   12.948  189.298   38.007  184.689   67.138  191.472   46.106  109.783   25.044  118.388   16.006 -8.605347 29.72164 
1 1 1    0   37   23 o   32.219   13.492   3.9126   18.230  256.698  186.513   1.4744   18.318  106.046   43.669   31.233   13.321 74.81316 45.65512 
1 1 1    0   37   24 o   84.225   14.307   96.316   29.015  100.685   55.243   94.651   34.097   80.950   24.901   82.120   17.179 -1.170639 30.25182 
1 1 1    0   37   25 o   67.415   14.758   62.654   24.156   63.833   50.754   62.308   27.466   67.108   23.963   66.588   16.581 0.5195999 29.14030 
1 1 1    0   37   26 o  103.459   12.851  142.438   32.487  126.257   57.219  150.136   39.466   90.438   24.658  104.829   15.547 -14.39173 29.14988 
1 1 1    0   37   27 o   43.062   14.769   23.412   19.151   22.344   44.517   23.655   21.215   51.824   21.337   43.861   15.511 7.962410 26.37861 
1 1 1    0   37   28 o  128.884   19.666  236.873   61.291  277.107   70.678  114.866  123.078  138.282   21.139   84.222   35.145 54.05998 41.01264 
1 1 1    0   37   29 o   37.663   13.868   15.825   17.168   15.228   39.412   15.965   19.072   47.639   19.884   38.664   14.542 8.974770 24.63461 
1 1 1    0   37   30 o   75.638   13.580   77.785   24.707   99.037   45.011   68.621   29.558   81.232   21.754   69.470   17.143 11.76140 27.69703 
1 1 1    0   37   31 o  104.193   12.819  145.011   32.650   94.392   52.110  177.725   41.892   78.045   24.214  114.149   15.064 -36.10363 28.51723 
1 1 1    0   37   32 o   41.467   14.164   21.812   17.613 -12.0982   35.119   33.207   20.358   37.938   17.191   49.270   15.109 -11.33158 22.88763 
1 1 1    0   37   33 o   65.795   16.797   61.646   27.693 -126.1827  167.291   66.938   28.080   63.932   31.288   68.676   16.565 -4.744637 35.40271 
1 1 1    0   37   34 o   32.851   12.772   9.8483   15.039  -9.1655   32.109   15.191   17.021   36.870   16.597   37.111   13.781 -0.2411385 21.57275 
1 1 1    0   37   35 o  119.016   16.517  197.316   47.765  134.965  166.733  202.891   49.855   85.618   38.234  120.297   17.075 -34.67838 41.87377 
1 1 1    0   37   36 o   69.971   33.067  -1.1427  152.086   0.0000   0.0000  -1.1427  152.086  ?   ?    69.971   33.067 0.000000 33.06679 
1 1 1    0   38    0 o   57.880   23.497   82.307   53.048   57.773   69.143  117.413   82.710   50.995   23.488   59.082   26.613 -8.087372 35.49521 
1 1 1    0   38    1 o   28.579   14.350 -90.9566   45.023 -91.2456   58.756 -90.5455   70.074   33.385   16.710   36.537   18.282 -3.152069 24.76818 
1 1 1    0   38    2 o   51.888   22.218   49.167   51.324   19.549   67.474   89.835   79.064   47.742   22.393   58.936   26.323 -11.19432 34.55954 
1 1 1    0   38    3 o   33.794   15.081   1.2449   25.892 -66.3305   61.464   15.824   28.549   37.229   18.367   39.585   16.746 -2.355900 24.85508 
1 1 1    0   38    4 o   31.211   14.284  -7.0286   25.025  103.800   61.992 -28.6046   27.352   67.825   26.050   27.860   13.399 39.96446 29.29443 
1 1 1    0   38    5 o   32.865   14.633  -0.3842   24.230 -53.8202   60.281   9.9133   26.462   38.962   19.006   37.371   15.977 1.591236 24.82916 
1 1 1    0   38    6 o   32.987   15.044  -6.9249   27.443   0.0000   0.0000  -6.9249   27.443  ?   ?    32.987   15.044 0.000000 15.04421 
1 1 1    0   38    7 f   41.337   16.406   20.090   25.261 -35.7654   60.743   31.770   27.777   41.953   20.122   47.128   17.584 -5.174664 26.72304 
1 1 1    0   38    8 o   57.758   17.831   52.281   28.299   61.999   65.634   50.062   31.364   60.488   25.479   56.226   18.902 4.262516 31.72535 
1 1 1    0   38    9 o   46.737   16.878   30.633   25.254   74.968   60.209   21.168   27.819   64.565   25.422   43.065   17.177 21.50005 30.68165 
1 1 1    0   38   10 o   42.569   18.968   3.1411   40.792   5.1452   57.517   1.1129   57.863   48.443   21.971   47.808   21.820 0.6345329 30.96515 
1 1 1    0   38   11 o   41.798   16.219   20.119   24.218 -11.8320   61.220   26.047   26.369   47.002   21.808   45.191   17.077 1.811111 27.69809 
1 1 1    0   38   12 o   58.910   18.523   52.694   30.381   0.0000   0.0000   52.694   30.381  ?   ?    58.910   18.523 0.000000 18.52335 
1 1 1    0   38   13 o   68.507   26.554   79.648   64.857   79.648   64.857   0.0000   0.0000   68.507   26.554  ?   ?  0.000000 26.55412 
1 1 1    0   38   14 o  121.741   14.266  205.382   42.547   53.844   80.395  264.336   50.145   64.059   27.624  137.739   14.811 -73.67986 31.34439 
1 1 1    0   38   15 o   62.458   19.159   58.731   32.729   0.0000   0.0000   58.731   32.729  ?   ?    62.458   19.159 0.000000 19.15857 
1 1 1    0   38   16 o   69.214   16.361   69.256   27.832   88.966   63.295   64.531   30.989   72.818   26.656   65.894   18.221 6.923882 32.28867 
1 1 1    0   38   17 o   82.638   16.044   97.126   31.916   75.678   63.929  104.247   36.835   69.180   26.482   84.402   18.024 -15.22205 32.03385 
1 1 1    0   38   18 o   53.958   16.927   41.357   25.386  -5.2499   58.182   52.316   28.214   48.924   22.152   59.960   17.654 -11.03588 28.32686 
1 1 1    0   38   19 o   42.684   19.288  -8.7385   43.852 -25.3601   52.358   30.320   80.261   43.227   20.094   61.498   27.041 -18.27155 33.68894 
1 1 1    0   38   20 o   58.958   22.588   46.421   46.538   30.097   55.511   85.031   85.373   56.095   23.520   73.434   29.809 -17.33951 37.97098 
1 1 1    0   38   21 o   81.836   15.739   94.130   30.996   40.158   62.186  111.972   35.755   60.251   25.048   88.826   16.733 -28.57523 30.12315 
1 1 1    0   38   22 o  127.167   13.557  218.383   42.389  190.251   76.232  230.975   51.001  105.748   28.307  128.814   16.214 -23.06615 32.62202 
1 1 1    0   38   23 o  135.678   14.082  249.619   47.018  180.684   81.393  284.144   57.602  101.025   30.047  142.857   16.447 -41.83211 34.25399 
1 1 1    0   38   24 o   82.765   15.270   95.454   30.397  100.535   59.925   93.694   35.271   78.532   26.125   80.440   18.008 -1.907494 31.73001 
1 1 1    0   38   25 o   62.082   17.901   55.789   29.279 -101.4718  211.720   58.856   29.563   70.045   34.465   63.711   17.862 6.333664 38.81850 
1 1 1    0   38   26 o   54.988   16.044   42.676   23.396   6.1469   49.854   52.993   26.495   48.728   21.371   60.811   16.860 -12.08343 27.22131 
1 1 1    0   38   27 o  147.932   12.999  293.014   47.534  251.722   77.039  318.399   60.403  125.982   25.365  151.504   16.218 -25.52177 30.10667 
1 1 1    0   38   28 o   41.241   14.702   20.905   19.098 -18.7565   43.796   30.217   21.221   40.756   18.743   47.317   15.537 -6.561050 24.34552 
1 1 1    0   38   29 o   55.288   15.379   43.095   22.007   55.121   44.315   39.159   25.354   61.947   22.361   52.937   16.953 9.009754 28.06035 
1 1 1    0   38   30 o   51.696   20.660   28.889   40.322   18.197   42.476  126.371  128.259   49.048   20.570   82.589   35.237 -33.54141 40.80175 
1 1 1    0   38   31 f  117.926   13.260  187.647   38.370  137.973   61.036  220.106   49.338   91.768   25.643  125.718   16.085 -33.94963 30.26994 
1 1 1    0   38   32 o   70.413   14.113   68.777   23.951   76.706   43.049   65.223   28.823   70.633   22.024   67.164   17.131 3.469353 27.90181 
1 1 1    0   38   33 o   62.576   14.172   54.697   21.632   80.727   39.867   43.837   25.752   72.802   20.858   55.465   16.991 17.33605 26.90297 
1 1 1    0   38   34 o   46.896   15.858   29.492   22.075  -4.1644  206.921   29.880   22.202   73.524   35.719   47.142   15.903 26.38226 39.09907 
1 1 1    0   38   35 o   59.368   16.637   50.869   25.654   0.0000   0.0000   50.869   25.654  ?   ?    59.368   16.637 0.000000 16.63693 
1 1 1    0   39    1 o   48.459   21.698   54.856   54.077   25.242   71.071   95.577   83.339   44.342   21.395   52.253   24.628 -7.911282 32.62281 
1 1 1    0   39    2 o   46.190   20.976   36.899   52.629   3.8374   70.016   79.842   79.796   43.164   20.925   52.485   24.533 -9.321526 32.24500 
1 1 1    0   39    3 o   49.433   21.834   47.134   52.898   7.6973   71.388   95.155   78.774   44.823   21.580   56.607   25.689 -11.78386 33.55046 
1 1 1    0   39    4 o   63.603   19.306   74.425   33.351   15.122   71.238   91.071   37.742   46.704   22.233   69.220   20.430 -22.51651 30.19460 
1 1 1    0   39    5 o   52.494   19.038   48.613   32.180 -26.2742   83.391   61.716   34.882   45.058   22.060   57.786   19.926 -12.72792 29.72646 
1 1 1    0   39    6 o   51.714   18.248   44.902   29.349   31.386   68.747   47.914   32.455   50.598   23.346   52.765   19.122 -2.166721 30.17777 
1 1 1    0   39    7 o   28.293   13.434 -20.9653   25.684   0.0000   0.0000 -20.9653   25.684  ?   ?    28.293   13.434 0.000000 13.43441 
1 1 1    0   39    8 o   40.693   16.633   18.705   26.810 -145.4064   66.907   50.096   29.262   33.669   16.981   55.214   18.251 -21.54499 24.92894 
1 1 1    0   39    9 o   45.815   17.112   30.220   26.317   51.380   63.854   25.890   28.884   56.236   24.434   44.392   17.567 11.84470 30.09350 
1 1 1    0   39   10 o   62.730   17.970   63.093   29.591   27.993   66.523   71.752   33.040   52.654   23.778   66.098   19.003 -13.44395 30.43910 
1 1 1    0   39   11 o   78.408   29.664  142.892   79.624   0.0000   0.0000  142.892   79.624  ?   ?    78.408   29.664 0.000000 29.66352 
1 1 1    0   39   12 o   53.468   24.253   23.185   70.101   23.185   70.101   0.0000   0.0000   53.468   24.253  ?   ?  0.000000 24.25282 
1 1 1    0   39   13 o   42.807   16.479   22.689   24.846   29.210   61.986   21.440   27.120   53.645   23.668   42.959   17.015 10.68687 29.14980 
1 1 1    0   39   14 o   44.060   16.521   25.157   24.580  109.777   62.106   9.4414   26.765   75.686   26.559   38.316   16.212 37.36979 31.11668 
1 1 1    0   39   15 o   40.368   15.952   17.518   23.785 -87.4116   59.705   37.313   25.932   36.974   18.214   50.606   17.187 -13.63198 25.04272 
1 1 1    0   39   16 o   59.563   18.123   54.139   29.365   74.009   70.316   49.941   32.317   65.884   26.934   57.195   19.188 8.689747 33.07000 
1 1 1    0   39   17 o   98.522   17.664  144.018   41.863   0.0000   0.0000  144.018   41.863  ?   ?    98.522   17.664 0.000000 17.66442 
1 1 1    0   39   18 o   28.847   12.963  -5.7576   19.492 -29.2095   57.765  -2.7442   20.706   43.633   20.546   30.773   13.623 12.86006 24.65241 
1 1 1    0   39   19 o  118.788   13.667  194.811   39.803  182.849   74.873  199.524   46.994   99.134   28.638  117.865   16.412 -18.73167 33.00723 
1 1 1    0   39   20 o  109.010   14.478  165.819   38.438  131.862   73.853  178.434   45.015   83.327   28.978  111.289   16.714 -27.96204 33.45281 
1 1 1    0   39   21 o   69.096   24.279   78.604   51.907   80.694   61.588   73.481   96.441   69.392   26.126   69.055   30.016 0.3372955 39.79362 
1 1 1    0   39   22 o   86.414   16.109  107.094   33.484   99.237   66.460  109.767   38.763   75.011   27.336   85.685   18.646 -10.67492 33.08964 
1 1 1    0   39   23 o  106.898   15.124  160.179   39.246  111.941   71.078  181.336   47.073   78.564   28.325  111.964   17.401 -33.40008 33.24306 
1 1 1    0   39   24 o  125.767   14.140  217.906   43.639  129.088   76.415  260.891   53.161   83.078   29.431  136.057   15.949 -52.97833 33.47488 
1 1 1    0   39   25 o   48.630   16.319   32.662   23.378   57.035   53.984   27.037   25.936   62.382   24.213   46.214   17.041 16.16793 29.60881 
1 1 1    0   39   26 o  145.406   17.031  301.665   60.669   0.0000   0.0000  301.665   60.669  ?   ?   145.406   17.031 0.000000 17.03089 
1 1 1    0   39   27 o  112.737   18.284  185.520   49.710   0.0000   0.0000  185.520   49.710  ?   ?   112.737   18.284 0.000000 18.28374 
1 1 1    0   39   28 o   47.151   15.715   30.426   21.681   51.771   50.316   25.559   24.026   60.452   23.401   45.003   16.431 15.44875 28.59302 
1 1 1    0   39   29 o   34.290   13.699   9.9194   17.721  104.938   44.200  -8.2802   19.344   81.984   21.371   28.080   12.738 53.90392 24.87942 
1 1 1    0   39   30 o   72.946   15.449   75.817   27.266   42.344   49.686   90.241   32.616   57.384   22.934   78.751   17.077 -21.36649 28.59363 
1 1 1    0   39   31 o   68.264   22.930   74.017   46.155   67.652   48.600  132.555  147.384   65.732   23.451   79.944   35.806 -14.21251 42.80223 
1 1 1    0   39   32 o   29.288   12.430   2.4132   15.810  -6.6650   37.618   4.3609   17.424   39.818   17.941   31.388   13.170 8.430304 22.25547 
1 1 1    0   39   33 o   85.011   17.690  106.231   36.332   93.098  253.032  106.508   36.712   77.486   38.036   85.000   17.863 -7.513649 42.02226 
1 1 1    0   39   34 o   39.346   14.865   17.648   19.977   0.0000   0.0000   17.648   19.977  ?   ?    39.346   14.865 0.000000 14.86464 
1 1 1    0   40    3 o   49.764   22.464   70.494   59.299   95.701   79.119   38.184   89.574   51.111   24.061   45.025   22.205 6.086647 32.74118 
1 1 1    0   40    4 o   40.332   20.181 -42.7090   85.376   0.0000   0.0000 -42.7090   85.376  ?   ?    40.332   20.181 0.000000 20.18085 
1 1 1    0   40    5 o   33.832   16.633 -42.9152   48.984 -27.4728   68.271 -59.2994   70.322   39.894   19.618   37.655   18.759 2.238594 27.14378 
1 1 1    0   40    6 o   54.070   19.192   55.757   32.510   22.947   74.734   63.414   36.105   46.834   22.425   56.334   20.201 -9.500210 30.18225 
1 1 1    0   40    7 o   45.536   17.705   33.754   28.903   56.575   70.648   29.167   31.675   52.311   23.963   43.981   18.040 8.329620 29.99458 
1 1 1    0   40    8 o   72.518   18.792   91.875   34.309   19.321   76.135  110.362   38.432   48.518   23.065   78.778   19.612 -30.26030 30.27584 
1 1 1    0   40    9 o   37.001   16.461   5.5678   30.591   0.0000   0.0000   5.5678   30.591  ?   ?    37.001   16.461 0.000000 16.46060 
1 1 1    0   40   10 o   61.122   18.804   64.256   31.501   64.364   79.304   64.235   34.326   56.850   25.790   60.190   19.760 -3.340263 32.49016 
1 1 1    0   40   11 o   58.057   25.734   66.000   74.113   66.000   74.113   0.0000   0.0000   58.057   25.734  ?   ?  0.000000 25.73400 
1 1 1    0   40   12 o   51.171   18.049   41.634   28.709   56.044   69.171   38.635   31.556   56.892   25.057   49.836   18.713 7.056690 31.27341 
1 1 1    0   40   13 o   51.767   22.243   36.378   51.760   52.026   67.661   14.301   80.368   56.716   24.885   52.103   24.439 4.613400 34.87912 
1 1 1    0   40   14 o   43.305   16.958   23.972   26.659   47.719   65.769   19.303   29.163   56.297   24.622   42.158   17.303 14.13853 30.09396 
1 1 1    0   40   15 o   70.683   18.254   79.567   32.444 -42.1565   69.404  113.605   36.701   43.839   21.150   85.466   17.776 -41.62693 27.62745 
1 1 1    0   40   16 o   73.621   18.238   85.462   33.356 -17.6184   71.874  113.757   37.657   47.702   22.599   85.379   18.217 -37.67709 29.02736 
1 1 1    0   40   17 o   55.004   17.592   46.591   27.309   51.539   62.371   45.418   30.375   58.243   24.702   54.211   18.599 4.032440 30.92137 
1 1 1    0   40   18 o   29.562   13.458  -8.0852   21.833   0.0000   0.0000  -8.0852   21.833  ?   ?    29.562   13.458 0.000000 13.45758 
1 1 1    0   40   19 o   69.207   17.773   73.822   30.876   65.487   68.720   75.930   34.561   62.644   26.211   69.063   19.295 -6.419132 32.54746 
1 1 1    0   40   20 o   88.817   15.324  114.188   32.758  151.320   68.725  103.271   37.264   87.941   27.884   81.662   18.679 6.278275 33.56226 
1 1 1    0   40   21 o   60.803   17.419   56.252   27.805   51.200   60.975   57.578   31.242   59.302   24.741   60.878   18.726 -1.575485 31.02854 
1 1 1    0   40   22 o  122.970   14.479  213.223   43.609  159.398   78.574  237.183   52.424   87.926   29.917  127.228   16.920 -39.30154 34.37000 
1 1 1    0   40   23 o   42.720   19.722 -13.2826   49.164 -14.0320   55.251 -10.4325  107.745   44.797   20.761   57.429   27.340 -12.63224 34.32930 
1 1 1    0   40   24 o  131.777   14.169  242.664   45.894  175.248   79.931  275.820   56.055   93.066   30.132  137.939   16.607 -44.87239 34.40509 
1 1 1    0   40   25 o   40.778   15.573   19.360   22.074   14.223   54.177   20.383   24.171   50.024   22.096   42.026   16.233 7.997921 27.41788 
1 1 1    0   40   26 o   58.674   16.719   51.152   25.685   65.325   57.017   47.544   28.770   63.679   24.838   56.346   18.060 7.333252 30.70955 
1 1 1    0   40   27 o   96.441   15.010  132.068   34.973  123.481   64.630  135.624   41.588   81.635   27.130   95.217   18.153 -13.58246 32.64298 
1 1 1    0   40   28 o   32.630   14.043   2.4587   20.692   0.0000   0.0000   2.4587   20.692  ?   ?    32.630   14.043 0.000000 14.04275 
1 1 1    0   40   29 o   63.967   16.721   60.816   27.009   37.001   52.245   69.503   31.553   55.178   22.951   67.514   18.271 -12.33561 29.33516 
1 1 1    0   40   30 o   34.979   14.132   10.260   19.089   26.723   44.728   6.5935   21.107   50.632   21.163   34.524   14.491 16.10815 25.64839 
1 1 1    0   40   31 o   74.279   15.960   80.561   28.721   56.221   52.254   91.098   34.380   60.587   23.737   77.581   18.080 -16.99373 29.83860 
1 1 1    0   40   32 o   48.998   17.249   33.722   26.208   0.0000   0.0000   33.722   26.208  ?   ?    48.998   17.249 0.000000 17.24907 
1 1 1    0   40   33 o   85.873   38.796  254.688  177.291   0.0000   0.0000  254.688  177.291  ?   ?    85.873   38.796 0.000000 38.79559 
1 1 1    0   41    6 f   56.473   24.195  105.056   60.927  108.332   84.133  101.443   88.350   51.927   24.556   50.657   24.289 1.269886 34.53952 
1 1 1    0   41    7 o   36.046   17.643 -27.0329   53.234 -20.7829   73.139 -34.0737   77.629   40.204   19.872   39.786   19.802 0.4183502 28.05401 
1 1 1    0   41    8 o   38.379   16.614   17.370   29.308   53.997   76.307   11.032   31.742   49.039   23.248   37.167   16.634 11.87194 28.58591 
1 1 1    0   41    9 o   49.898   18.836   46.629   32.061   36.529   83.858   48.358   34.697   48.427   23.334   50.220   19.434 -1.792881 30.36712 
1 1 1    0   41   10 o   51.091   24.161   51.187   81.457   51.187   81.457   0.0000   0.0000   51.091   24.161  ?   ?  0.000000 24.16138 
1 1 1    0   41   11 o   61.043   21.132   74.068   39.253   0.0000   0.0000   74.068   39.253  ?   ?    61.043   21.132 0.000000 21.13192 
1 1 1    0   41   12 f   48.159   18.034   38.376   29.268  -5.2745   71.808   47.072   32.050   45.266   21.755   51.811   18.968 -6.545639 28.86321 
1 1 1    0   41   13 o   54.904   18.773   52.403   30.943   62.029   72.324   50.247   34.234   55.503   24.954   53.406   19.596 2.097477 31.72838 
1 1 1    0   41   14 o   57.429   18.608   56.448   30.480   43.705   71.326   59.295   33.714   53.184   24.255   57.988   19.597 -4.804253 31.18224 
1 1 1    0   41   15 o   41.752   19.586  -8.7494   51.644 -26.6416   65.060   21.727   84.912   42.890   20.637   52.027   24.624 -9.137016 32.12840 
1 1 1    0   41   16 o   65.773   18.508   71.972   31.681  105.888   70.950   63.526   35.407   67.314   27.227   60.364   20.081 6.950203 33.83175 
1 1 1    0   41   17 o   42.594   16.787   23.354   26.276 -26.7215   63.125   33.849   28.899   43.040   20.609   47.645   17.905 -4.605251 27.30029 
1 1 1    0   41   18 o   38.461   15.834   14.452   24.514 -31.5401   63.465   22.517   26.577   42.812   20.543   42.480   16.838 0.3317070 26.56217 
1 1 1    0   41   19 o   70.010   18.195   78.738   32.102   91.173   72.744   75.731   35.773   65.604   27.167   67.040   19.916 -1.436516 33.68520 
1 1 1    0   41   20 o   81.484   20.625  111.515   42.005   0.0000   0.0000  111.515   42.005  ?   ?    81.484   20.625 0.000000 20.62458 
1 1 1    0   41   21 o   35.176   14.868   7.8301   22.474   8.2106   59.230   7.7661   24.291   48.218   22.033   36.080   15.363 12.13774 26.86044 
1 1 1    0   41   22 o   41.138   16.070   20.262   23.895   75.128   60.960   10.302   25.973   63.587   25.407   37.884   15.997 25.70282 30.02323 
1 1 1    0   41   23 o   73.728   17.667   84.469   32.100   46.707   65.925   96.205   36.751   57.205   24.841   77.528   19.106 -20.32253 31.33872 
1 1 1    0   41   24 o   59.307   24.201   57.748   56.639   66.320   62.282   16.774  136.171   61.722   25.304   60.421   29.264 1.300812 38.68722 
1 1 1    0   41   25 o   47.073   17.127   31.264   26.074  -4.0167   58.090   40.166   29.179   46.392   21.425   51.682   18.200 -5.290043 28.11131 
1 1 1    0   41   26 o   64.719   17.163   64.434   28.192  105.953   60.478   52.908   31.866   73.883   26.182   57.839   19.042 16.04375 32.37395 
1 1 1    0   41   27 o   68.303   16.702   70.857   28.251  130.993   58.351   52.444   32.288   83.568   25.572   57.608   19.177 25.96055 31.96431 
1 1 1    0   41   28 o   92.102   16.127  125.430   35.740   81.974   65.374  143.956   42.683   66.166   26.351   96.666   18.353 -30.50032 32.11253 
1 1 1    0   41   29 f   87.197   16.133  112.699   33.836  115.370   63.758  111.652   39.922   76.286   26.899   83.773   19.456 -7.487083 33.19757 
1 1 1    0   41   30 o   34.990   14.805   7.0143   22.320   0.0000   0.0000   7.0143   22.320  ?   ?    34.990   14.805 0.000000 14.80510 
1 1 1    0   41   31 o  127.122   14.884  232.549   46.355  111.286   74.958  307.641   58.986   72.610   28.435  143.967   16.719 -71.35680 32.98545 
1 1 1    0   41   32 o   58.882   18.699   55.003   30.896   0.0000   0.0000   55.003   30.896  ?   ?    58.882   18.699 0.000000 18.69889 
1 1 1    0   42   10 f   35.249   15.767   10.002   28.481 -66.0963   76.226   22.351   30.705   37.046   18.611   39.398   17.031 -2.352512 25.22731 
1 1 1    0   42   11 f   47.041   18.479   42.317   31.742   43.060   79.298   42.175   34.638   47.061   22.679   46.716   18.979 0.3452339 29.57278 
1 1 1    0   42   12 o   37.773   16.805   12.721   31.888   0.0000   0.0000   12.721   31.888  ?   ?    37.773   16.805 0.000000 16.80488 
1 1 1    0   42   13 o   72.085   19.817   98.852   36.780  112.651   83.693   95.549   40.945   58.066   26.401   67.664   21.530 -9.597950 34.06677 
1 1 1    0   42   14 o   49.170   18.443   43.171   30.636   0.6594   74.284   51.884   33.629   44.790   21.674   52.450   19.392 -7.659843 29.08322 
1 1 1    0   42   15 o   43.382   17.291   28.513   28.171  -4.0207   72.451   34.307   30.577   44.648   21.557   45.902   18.103 -1.253983 28.15029 
1 1 1    0   42   16 o   32.551   14.824  -2.9352   26.530   27.265   69.994  -8.0018   28.669   48.764   22.852   32.343   14.977 16.42091 27.32276 
1 1 1    0   42   17 o   48.308   21.747   30.828   55.140   53.011   66.637 -17.3448   98.198   53.237   23.942   47.886   23.544 5.351902 33.57946 
1 1 1    0   42   18 o   47.969   17.874   37.086   28.681   79.317   69.262   28.345   31.509   58.880   25.515   44.639   18.113 14.24087 31.29069 
1 1 1    0   42   19 o   38.602   16.136   15.252   26.009 -53.7088   66.765   27.590   28.240   39.986   19.610   44.044   17.389 -4.057526 26.20950 
1 1 1    0   42   20 o   31.119   13.984  -2.2777   22.676   83.520   66.815 -13.4468   24.107   61.222   25.744   28.945   13.515 32.27682 29.07557 
1 1 1    0   42   21 o   43.176   16.982   25.348   26.837 -28.4946   65.965   36.028   29.379   42.902   20.677   48.153   18.061 -5.251339 27.45473 
1 1 1    0   42   22 o   45.361   17.888   28.928   29.854   0.0000   0.0000   28.928   29.854  ?   ?    45.361   17.888 0.000000 17.88837 
1 1 1    0   42   23 o   65.062   18.363   70.117   31.137   40.791   67.608   78.012   35.078   53.679   24.131   67.450   19.636 -13.77114 31.11057 
1 1 1    0   42   24 o   86.413   17.082  116.890   35.555  120.414   71.510  115.733   40.980   71.385   27.823   82.628   20.062 -11.24316 34.30170 
1 1 1    0   42   25 o   47.722   17.170   34.498   26.105   57.072   61.186   29.475   28.863   57.008   24.331   45.728   17.717 11.27985 30.09788 
1 1 1    0   42   26 o   58.439   24.260   62.522   58.216   63.076   63.664   59.696  143.824   58.570   24.903   60.379   29.433 -1.809494 38.55462 
1 1 1    0   42   27 o   72.410   17.857   84.144   32.087   34.072   64.386  100.690   37.011   52.741   23.641   78.150   19.121 -25.40924 30.40588 
1 1 1    0   42   28 o   52.874   17.532   44.338   26.995   46.218   59.486   43.851   30.293   54.736   23.682   52.393   18.534 2.342831 30.07267 
1 1 1    0   42   29 o   71.468   17.526   81.311   31.039   57.457   62.233   89.210   35.811   57.416   24.522   73.180   19.314 -15.76446 31.21486 
1 1 1    0   42   30 o   44.366   16.485   27.910   24.362 -23.7073   52.124   42.338   27.558   40.252   19.121   51.760   17.717 -11.50785 26.06688 
1 1 1    0   43   17 o   40.842   17.037   24.201   28.908   30.345   73.748   23.086   31.422   46.710   22.342   40.869   17.439 5.840683 28.34261 
1 1 1    0   43   18 o   43.472   20.630   10.474   60.391   32.350   72.228 -40.3528  110.095   47.499   22.547   44.861   22.514 2.638046 31.86248 
1 1 1    0   43   19 o   30.626   14.067  -4.8886   24.569 -40.8376   69.509   0.2441   26.265   39.877   19.646   32.850   14.878 7.026997 24.64382 
1 1 1    0   43   20 o   38.865   16.561   16.798   28.264   50.340   71.505   10.587   30.769   51.058   23.646   37.684   16.649 13.37347 28.91933 
1 1 1    0   43   21 o   42.622   17.173   26.583   28.108 -22.6694   68.474   36.564   30.825   42.042   20.453   46.836   18.264 -4.794735 27.42042 
1 1 1    0   43   22 o   73.032   19.578   96.413   36.433   20.342   75.486  119.516   41.599   48.182   22.923   80.319   20.632 -32.13721 30.84028 
1 1 1    0   43   23 o  109.957   22.508  228.821   59.722   0.0000   0.0000  228.821   59.722  ?   ?   109.957   22.508 0.000000 22.50786 
1 1 1    0   43   24 o   26.646   12.585 -16.0422   21.969 -97.7925   65.119  -5.5431   23.337   35.267   17.644   30.204   13.813 5.063740 22.40730 
1 1 1    0   43   25 o   47.995   17.765   37.712   28.240 -39.8210   63.988   56.466   31.471   40.083   19.559   56.415   18.935 -16.33161 27.22302 
1 1 1    1  -38    0 o   44.236   20.304   26.176   51.068 -27.1508   73.201   76.737   71.278   40.849   20.131   52.992   24.198 -12.14303 31.47717 
1 1 1    1  -37    0 o   52.171   22.102   49.632   49.844  114.444   70.847 -13.8919   70.139   65.549   26.944   44.151   21.290 21.39794 34.34026 
1 1 1    1  -37    1 f   36.177   17.510 -30.3066   48.550 -21.3846   68.239 -39.4519   69.088   42.090   20.463   40.492   19.876 1.598270 28.52700 
1 1 1    1  -37    2 o   41.288   19.319   7.3945   49.691   10.224   72.462   4.8827   68.273   45.024   21.693   43.924   21.136 1.099590 30.28772 
1 1 1    1  -36    0 o   84.861   16.797  111.941   34.335  132.248   39.370   47.434   70.170   91.189   17.928   55.431   24.775 35.75757 30.58142 
1 1 1    1  -36    1 o   38.133   17.981 -16.5893   44.522  -5.7862   64.280 -26.5506   61.725   45.305   21.437   42.019   20.189 3.285778 29.44688 
1 1 1    1  -36    2 o   41.638   19.276   1.2560   47.446  -4.7459   69.126   6.6023   65.241   45.553   21.745   46.345   21.827 -0.7920227 30.80989 
1 1 1    1  -36    3 o   40.570   18.982  -1.6255   47.962   21.516   70.670 -21.3867   65.305   48.037   22.652   41.958   20.309 6.078560 30.42285 
1 1 1    1  -35    0 o   35.711   15.065   8.0167   23.002  -3.4860   24.922   74.163   59.764   32.882   14.726   63.995   25.287 -31.11337 29.26208 
1 1 1    1  -35    1 o  105.304   14.395  160.347   36.863  144.523   42.534  208.097   73.889   95.937   18.424  100.861   28.225 -4.923500 33.70559 
1 1 1    1  -35    2 o   36.796   15.572   9.9652   24.699   14.553   26.885 -14.8488   62.527   39.410   16.434   44.695   21.146 -5.285042 26.78150 
1 1 1    1  -35    3 o   54.201   22.082   49.879   47.057   35.480   70.133   61.669   63.463   52.883   24.092   57.481   24.662 -4.598019 34.47651 
1 1 1    1  -35    4 o   40.990   18.921  -0.2954   45.220   40.499   68.855 -31.2363   59.965   52.444   23.884   40.637   19.618 11.80682 30.90802 
1 1 1    1  -35    5 o   67.135   24.311  100.415   52.443   52.925   79.282  137.359   69.927   53.410   24.793   71.569   27.620 -18.15837 37.11545 
1 1 1    1  -34    0 o   37.635   16.112   5.7800   26.980   5.7800   26.980   0.0000   0.0000   37.635   16.112  ?   ?  0.000000 16.11175 
1 1 1    1  -34    1 o   50.034   17.080   36.015   25.611   33.878   28.426   45.230   59.024   49.299   17.891   57.922   24.268 -8.622837 30.15026 
1 1 1    1  -34    2 o   48.692   17.301   34.023   26.425   55.058   29.656 -47.0346   58.217   59.464   18.237   40.523   19.504 18.94129 26.70190 
1 1 1    1  -34    3 o   40.818   16.284   18.663   25.002   23.638   27.846  -2.0286   56.786   43.811   17.277   46.040   21.234 -2.228809 27.37487 
1 1 1    1  -34    4 o   76.518   23.404  108.536   48.881  115.872   73.540  102.730   65.425   71.498   28.114   69.532   26.749 1.965561 38.80588 
1 1 1    1  -34    5 o   46.534   20.270   22.339   44.172   73.460   68.948 -13.2516   57.529   60.473   25.819   43.225   20.400 17.24778 32.90560 
1 1 1    1  -34    6 o   40.704   18.768  -1.3293   44.310   0.6450   72.144  -2.5252   56.149   47.485   22.539   43.779   20.501 3.706341 30.46738 
1 1 1    1  -34    7 o   65.820   24.389   96.058   53.253  122.963   86.226   79.469   67.709   64.542   28.211   58.643   25.320 5.898415 37.90731 
1 1 1    1  -33    0 o   35.748   14.954   6.2994   22.360   6.9255   24.769   3.5423   51.980   37.428   15.703   48.935   21.628 -11.50708 26.72737 
1 1 1    1  -33    1 o  112.284   13.903  172.433   38.150  186.876   44.152  129.875   75.791  115.625   15.697   84.718   29.362 30.90720 33.29427 
1 1 1    1  -33    2 o   63.670   18.931   61.298   32.312   78.065   37.284   10.710   64.763   71.045   20.109   53.067   23.754 17.97892 31.12229 
1 1 1    1  -33    3 o   61.544   17.350   56.874   27.813   70.358   31.706   11.868   57.927   67.905   18.289   50.659   22.586 17.24625 29.06195 
1 1 1    1  -33    4 o   26.354   12.403 -17.9575   20.994 -20.2979   23.020  -6.3901   51.176   27.327   12.899   44.386   20.356 -17.05870 24.09851 
1 1 1    1  -33    5 o   44.912   16.952   26.892   25.966   25.420   29.484   31.978   54.811   45.125   17.783   52.641   22.754 -7.515530 28.87912 
1 1 1    1  -33    6 o   49.904   20.929   31.884   43.970   79.810   70.144   0.8605   56.435   63.587   26.533   45.993   21.197 17.59387 33.96066 
1 1 1    1  -33    7 o   31.632   15.334 -41.6990   37.595 -22.3968   63.881 -51.9266   46.500   43.856   20.926   34.322   16.732 9.534492 26.79300 
1 1 1    1  -33    8 o   36.254   17.530 -39.0401   48.340   0.0000   0.0000 -39.0401   48.340  ?   ?    36.254   17.530 0.000000 17.52955 
1 1 1    1  -32    0 o   83.359   14.622   94.370   29.328   92.175   33.588  101.411   60.165   81.249   17.096   81.298   26.123 -0.4843140E-01 31.22003 
1 1 1    1  -32    1 o   66.774   16.283   62.636   26.907   62.843   30.724   61.955   55.737   66.318   18.063   66.786   24.911 -0.4675751 30.77079 
1 1 1    1  -32    2 o  170.958   12.150  386.170   51.532  426.161   61.973  296.564   92.766  178.005   14.056  134.256   28.548 43.74890 31.82114 
1 1 1    1  -32    3 o   68.709   20.390   71.206   37.512   71.206   37.512   0.0000   0.0000   68.709   20.390  ?   ?  0.000000 20.38994 
1 1 1    1  -32    4 o   46.982   16.707   29.151   24.645   23.616   27.763   49.724   53.525   45.221   17.417   60.181   23.883 -14.95983 29.55883 
1 1 1    1  -32    5 o   75.752   16.079   83.433   29.476   82.643   34.675   85.491   55.966   73.549   18.806   70.610   25.169 2.938438 31.41863 
1 1 1    1  -32    6 o   88.112   14.937  111.326   31.693  147.479   38.238   31.986   56.645  101.030   15.663   54.107   23.259 46.92304 28.04169 
1 1 1    1  -32    7 o   65.791   24.555   78.231   54.174   0.0000   0.0000   78.231   54.174  ?   ?    65.791   24.555 0.000000 24.55543 
1 1 1    1  -32    8 o   36.503   18.066 -89.4708   61.188 -89.4708   61.188   0.0000   0.0000   36.503   18.066  ?   ?  0.000000 18.06642 
1 1 1    1  -32    9 o   47.166   19.993   26.333   40.824   99.075   71.438  -8.9432   49.748   66.786   27.208   41.863   19.502 24.92281 33.47529 
1 1 1    1  -32   10 o   35.334   16.694 -19.9000   38.715 -103.4300   71.418   14.862   46.072   37.608   18.762   44.761   20.035 -7.152809 27.44901 
1 1 1    1  -31    0 o   96.480   13.416  122.872   31.449  132.290   36.758   97.150   60.746   99.407   15.298   81.606   26.252 17.80050 30.38400 
1 1 1    1  -31    1 f  179.462   15.573  428.784   69.100  448.053   99.763  411.015   95.801  177.227   23.090  169.540   23.240 7.687607 32.76033 
1 1 1    1  -31    2 o  198.376   12.214  513.251   60.214  595.009   73.467  345.932  105.100  212.303   13.935  148.462   29.389 63.84114 32.52520 
1 1 1    1  -31    3 o   46.182   16.479   26.145   23.998   20.340   27.120   47.094   51.518   44.552   17.198   61.616   23.727 -17.06374 29.30461 
1 1 1    1  -31    4 o   62.714   16.674   55.761   26.563   70.407   31.406   18.951   49.790   69.995   17.898   52.351   22.130 17.64399 28.46140 
1 1 1    1  -31    5 f   60.090   20.114   52.182   35.513   52.182   35.513   0.0000   0.0000   60.090   20.114  ?   ?  0.000000 20.11420 
1 1 1    1  -31    6 f   64.778   24.016   63.993   51.650   0.0000   0.0000   63.993   51.650  ?   ?    64.778   24.016 0.000000 24.01619 
1 1 1    1  -31    7 o   65.765   19.509   66.668   34.344   66.668   34.344   0.0000   0.0000   65.765   19.509  ?   ?  0.000000 19.50870 
1 1 1    1  -31    8 o   55.093   17.475   45.488   26.991   63.306   32.435   5.3653   48.672   63.726   18.971   46.155   20.631 17.57079 28.02760 
1 1 1    1  -31    9 o   68.585   21.960   80.295   42.544  140.696   73.245   49.540   52.264   81.686   28.827   57.131   23.273 24.55482 37.04930 
1 1 1    1  -31   10 o   35.444   16.569 -17.7879   36.404  -0.7869   67.261 -24.8312   43.293   48.604   22.654   37.293   17.630 11.31057 28.70521 
1 1 1    1  -31   11 o   87.852   22.221  136.758   48.783  227.223   82.919   88.871   60.329   98.824   30.525   65.786   25.579 33.03881 39.82560 
1 1 1    1  -30    0 o  125.460   11.985  203.202   37.091  213.598   44.226  178.548   68.103  127.881   14.083  111.743   25.028 16.13802 28.71785 
1 1 1    1  -30    1 o  112.529   12.010  164.150   33.228  158.614   39.253  178.148   62.417  109.605   14.713  112.267   23.036 -2.661942 27.33350 
1 1 1    1  -30    2 o  124.405   16.816  207.691   50.903  251.997   75.611  170.966   68.840  133.115   23.611  107.810   25.895 25.30507 35.04269 
1 1 1    1  -30    3 o  146.786   11.378  278.689   41.379  285.767   50.583  264.371   71.941  147.413   13.905  136.967   21.761 10.44559 25.82444 
1 1 1    1  -30    4 o  204.810   11.681  544.171   59.495  597.173   73.041  439.672  102.560  213.021   13.805  173.695   24.311 39.32581 27.95714 
1 1 1    1  -30    5 o   47.961   16.618   29.220   24.278   25.055   28.986   39.009   44.437   47.430   17.909   57.493   22.062 -10.06322 28.41572 
1 1 1    1  -30    6 o  236.533   15.669  759.105   92.026  759.105   92.026   0.0000   0.0000  236.533   15.669  ?   ?  0.000000 15.66880 
1 1 1    1  -30    7 o   59.108   17.486   50.103   27.621   95.727   33.211 -52.2630   49.746   82.072   16.771   38.125   18.266 43.94630 24.79744 
1 1 1    1  -30    8 o   46.674   16.761   28.211   24.865   32.954   29.778   17.286   45.190   50.099   18.292   49.256   20.963 0.8433113 27.82175 
1 1 1    1  -30    9 f   89.643   14.378  112.625   31.097   97.080   38.250  142.927   53.404   79.610   19.415   93.752   22.987 -14.14155 30.08906 
1 1 1    1  -30   10 o  190.291   15.549  516.319   73.243  767.466  114.904  344.439   95.057  221.278   21.048  136.472   28.798 84.80623 35.66985 
1 1 1    1  -30   11 o   75.725   21.873   97.355   43.680  170.835   77.582   63.252   52.854   89.420   29.725   61.235   23.905 28.18521 38.14478 
1 1 1    1  -30   12 o   26.798   13.222 -56.3873   31.874 -97.7156   68.461 -44.9499   36.015   38.280   18.975   30.679   14.903 7.601561 24.12831 
1 1 1    1  -30   13 o   45.388   19.292   22.238   38.185  110.609   74.667  -9.0596   44.436   69.133   27.942   40.053   18.582 29.08014 33.55677 
1 1 1    1  -29    0 o   83.271   13.428   90.957   26.973   79.100   31.446  123.973   52.473   76.596   16.894   94.395   22.567 -17.79875 28.18977 
1 1 1    1  -29    1 o  345.766   14.595  1543.05  126.020  1534.14  153.928  1561.17  219.458  341.364   18.122  334.835   26.462 6.528931 32.07259 
1 1 1    1  -29    2 o  170.811   11.184  373.504   47.441  390.948   57.855  337.700   82.887  173.838   13.432  157.189   21.694 16.64865 25.51560 
1 1 1    1  -29    3 o  197.527   11.376  500.297   55.874  549.115   68.568  403.818   96.393  205.936   13.406  170.462   23.251 35.47400 26.83936 
1 1 1    1  -29    4 o   55.534   19.952   37.204   35.236   26.060   58.295   43.620   44.231   59.245   24.407   60.449   22.259 -1.203568 33.03313 
1 1 1    1  -29    5 o  173.123   15.210  396.344   65.090  509.231  102.363  319.715   84.337  191.043   21.850  149.954   23.277 41.08879 31.92505 
1 1 1    1  -29    6 o   81.726   15.131   90.629   29.743  107.816   35.564   50.634   54.251   88.626   16.681   64.248   24.442 24.37722 29.59220 
1 1 1    1  -29    7 o   46.548   16.384   26.860   23.645   39.796   28.264  -3.3043   43.159   54.389   17.935   44.654   19.723 9.735718 26.65790 
1 1 1    1  -29    8 o  148.097   19.729  312.656   71.148  312.656   71.148   0.0000   0.0000  148.097   19.729  ?   ?  0.000000 19.72907 
1 1 1    1  -29    9 o   46.893   16.417   28.489   23.724   20.462   28.717   45.740   42.100   44.751   17.577   58.275   21.667 -13.52444 27.90045 
1 1 1    1  -29   10 o  182.317   11.772  441.940   53.310  503.971   66.655  331.823   88.809  192.392   13.969  142.632   25.887 49.76007 29.41561 
1 1 1    1  -29   11 o   66.599   16.923   65.595   28.202   59.724   35.562   75.544   46.294   62.269   20.092   68.115   22.964 -5.845825 30.51304 
1 1 1    1  -29   12 f   34.162   15.853 -16.8883   32.374  -4.3819   66.520 -20.7700   37.060   49.622   22.920   35.867   16.750 13.75583 28.38818 
1 1 1    1  -29   13 o   46.014   19.207   21.853   36.774 -22.5667   72.938   36.993   42.583   47.829   22.690   52.126   21.090 -4.297306 30.97785 
1 1 1    1  -29   14 o   60.301   21.667   62.317   41.557   98.899   80.451   49.004   48.533   67.540   28.317   55.669   22.518 11.87080 36.17895 
1 1 1    1  -28    0 o  241.793   11.809  743.353   71.303  702.393   86.626  829.409  125.561  233.344   14.945  250.387   20.255 -17.04228 25.17150 
1 1 1    1  -28    1 o  186.978   18.739  461.460   86.319  461.460   86.319   0.0000   0.0000  186.978   18.739  ?   ?  0.000000 18.73927 
1 1 1    1  -28    2 o  270.014   12.649  931.409   85.292  885.521  104.277  1024.16  148.254  261.032   16.075  276.500   21.644 -15.46811 26.96087 
1 1 1    1  -28    3 o  322.879   13.946  1340.53  112.445  1388.43  137.954  1245.69  194.092  325.923   17.009  299.682   26.199 26.24158 31.23595 
1 1 1    1  -28    4 o  167.398   20.205  377.564   82.752   0.0000   0.0000  377.564   82.752  ?   ?   167.398   20.205 0.000000 20.20472 
1 1 1    1  -28    5 o  160.757   14.144  336.510   56.202  336.510   56.202   0.0000   0.0000  160.757   14.144  ?   ?  0.000000 14.14418 
1 1 1    1  -28    6 o  113.037   16.338  170.812   44.781  270.525   72.520  109.359   56.931  139.785   21.461   86.949   24.930 52.83599 32.89506 
1 1 1    1  -28    7 o  111.696   11.908  162.320   32.701  163.704   40.278  159.643   56.014  110.947   14.916  106.053   21.877 4.893753 26.47770 
1 1 1    1  -28    8 o  117.636   11.908  180.625   34.499  178.909   42.804  183.807   58.281  115.540   15.205  113.623   21.324 1.917038 26.18941 
1 1 1    1  -28    9 o   73.629   16.324   75.368   29.228   91.185   35.429   41.669   51.713   80.354   18.092   60.240   23.610 20.11404 29.74512 
1 1 1    1  -28   10 o  111.395   14.557  168.107   39.526  166.771   52.562  169.846   59.963  107.150   20.389  105.924   23.302 1.225441 30.96284 
1 1 1    1  -28   11 o  122.822   12.364  201.163   37.407  212.893   47.125  181.182   61.503  124.192   15.535  108.144   23.450 16.04831 28.12882 
1 1 1    1  -28   12 o  100.155   13.724  137.664   33.422  138.431   42.826  136.469   53.454   97.213   18.313   92.367   23.204 4.846176 29.56035 
1 1 1    1  -28   13 o   44.285   18.417   16.643   33.634  -2.4436   68.231   22.770   38.657   51.212   23.493   47.987   19.833 3.225292 30.74496 
1 1 1    1  -28   14 o   91.791   19.563  131.327   43.470  212.448   79.835   97.140   51.827  103.830   29.438   74.173   24.278 29.65640 38.15775 
1 1 1    1  -28   15 o   66.929   21.477   75.913   40.678  118.605   81.931   61.947   46.862   73.432   29.414   60.652   22.799 12.78020 37.21486 
1 1 1    1  -28   16 o  129.077   18.065  258.156   56.634  397.697  100.579  193.372   68.531  139.526   29.774   98.868   26.997 40.65781 40.19147 
1 1 1    1  -27    0 o  196.634   10.927  491.013   53.445  457.495   64.987  561.052   93.941  188.807   13.881  207.187   18.347 -18.37976 23.00593 
1 1 1    1  -27    1 o  170.758   10.911  370.824   46.284  352.042   56.212  410.367   81.562  165.481   13.727  176.643   18.778 -11.16231 23.26026 
1 1 1    1  -27    2 f  256.294   21.570  874.000  136.770  874.000  136.770   0.0000   0.0000  256.294   21.570  ?   ?  0.000000 21.57037 
1 1 1    1  -27    3 o  336.694   26.527  1556.06  221.228   0.0000   0.0000  1556.06  221.228  ?   ?   336.694   26.527 0.000000 26.52689 
1 1 1    1  -27    4 o  258.332   15.251  863.373   97.951  863.373   97.951   0.0000   0.0000  258.332   15.251  ?   ?  0.000000 15.25137 
1 1 1    1  -27    5 o  124.364   11.100  198.150   34.109  180.062   41.928  233.543   58.651  117.405   14.618  132.459   18.213 -15.05393 23.35382 
1 1 1    1  -27    6 o  154.576   10.988  305.587   42.136  275.781   52.002  362.566   71.900  145.519   14.504  165.486   17.672 -19.96732 22.86165 
1 1 1    1  -27    7 o  307.007   17.253  1241.95  131.738  1288.21  190.094  1199.20  182.736  303.806   25.286  293.172   25.205 10.63382 35.70310 
1 1 1    1  -27    8 o  191.885   11.305  472.771   53.929  504.419   67.270  415.845   90.221  196.935   13.765  174.042   21.197 22.89319 25.27410 
1 1 1    1  -27    9 f  108.254   12.265  152.936   32.572  118.101   40.600  215.853   54.562   92.569   18.212  126.126   17.820 -33.55650 25.47976 
1 1 1    1  -27   10 o  109.569   12.341  157.456   33.178  147.346   42.029  174.176   54.048  103.918   16.767  111.182   20.211 -7.264023 26.26055 
1 1 1    1  -27   11 o  109.391   19.853  170.258   52.234  170.258   52.234   0.0000   0.0000  109.391   19.853  ?   ?  0.000000 19.85255 
1 1 1    1  -27   12 o   72.075   15.575   72.482   27.214   70.629   34.568   75.504   44.134   69.658   19.237   71.024   22.325 -1.365662 29.46980 
1 1 1    1  -27   13 o   60.446   16.938   52.527   26.592   37.002   34.294   75.940   42.115   53.195   19.598   70.474   21.752 -17.27903 29.27872 
1 1 1    1  -27   14 o   84.365   15.329  100.637   31.106   90.236   40.324  115.921   48.882   76.321   20.654   85.149   22.609 -8.828308 30.62333 
1 1 1    1  -27   15 o   45.475   18.729   19.800   34.313 -72.5362   74.784   44.421   38.617   44.124   21.444   55.472   20.727 -11.34818 29.82359 
1 1 1    1  -27   16 f  135.473   16.934  270.341   56.037  371.569   99.655  223.532   67.766  139.611   29.508  113.995   24.532 25.61519 38.37369 
1 1 1    1  -27   17 o   44.346   18.872   17.177   36.617   60.046   84.664   7.3122   40.612   61.336   27.328   43.026   19.062 18.30927 33.31946 
1 1 1    1  -26    0 o   68.928   12.679   62.164   21.019   33.700   24.825  134.233   39.503   51.822   16.794  101.112   16.191 -49.28999 23.32783 
1 1 1    1  -26    1 o  132.730   10.362  223.902   34.072  220.591   41.445  230.806   59.844  131.130   12.820  132.283   18.632 -1.152115 22.61704 
1 1 1    1  -26    2 o  209.680   11.147  558.339   58.159  467.141   71.216  740.937  100.770  190.380   15.104  239.102   16.988 -48.72200 22.73123 
1 1 1    1  -26    3 o  291.304   16.185  1095.94  117.275  1095.94  117.275   0.0000   0.0000  291.304   16.185  ?   ?  0.000000 16.18540 
1 1 1    1  -26    4 o  186.527   18.700  457.371   85.930  457.371   85.930   0.0000   0.0000  186.527   18.700  ?   ?  0.000000 18.70009 
1 1 1    1  -26    5 o  141.107   10.856  253.896   37.960  229.421   46.688  301.634   65.204  133.074   14.272  151.486   17.562 -18.41251 22.63027 
1 1 1    1  -26    6 o  180.413   10.767  414.363   48.286  422.235   59.812  399.631   81.820  181.218   13.310  173.611   19.194 7.606430 23.35723 
1 1 1    1  -26    7 o  166.313   11.018  353.023   45.500  301.750   56.158  450.982   77.624  152.295   14.960  185.471   16.947 -33.17592 22.60519 
1 1 1    1  -26    8 o  183.628   11.057  430.713   50.468  368.557   62.335  548.975   85.982  168.210   14.997  204.400   17.000 -36.18979 22.66927 
1 1 1    1  -26    9 o  267.005   15.914  932.673  105.628  996.753  155.358  877.588  144.043  269.192   23.342  252.766   23.075 16.42604 32.82232 
1 1 1    1  -26   10 o  107.996   12.282  151.701   32.533  116.896   41.057  210.431   53.333   92.320   18.454  125.078   17.559 -32.75814 25.47289 
1 1 1    1  -26   11 o  133.452   11.714  230.862   38.644  205.562   49.087  272.099   62.668  123.784   16.274  141.545   18.148 -17.76081 24.37625 
1 1 1    1  -26   12 o  114.372   12.470  171.729   35.037  150.674   45.213  203.380   55.434  104.376   17.996  120.994   18.970 -16.61823 26.14855 
1 1 1    1  -26   13 o   58.984   17.149   48.631   26.772   35.535   36.857   63.260   38.952   54.176   20.247   66.347   20.988 -12.17113 29.16243 
1 1 1    1  -26   14 o   57.689   16.701   46.998   25.440   46.061   33.895   48.207   38.497   57.571   19.649   59.072   20.894 -1.500912 28.68130 
1 1 1    1  -26   15 o  100.131   13.413  136.362   32.696  148.838   43.273  119.764   49.913  101.818   17.660   87.402   22.675 14.41611 28.74026 
1 1 1    1  -26   16 o  125.150   16.647  223.931   50.735  260.518   90.425  207.122   61.291  118.305   30.434  115.006   22.145 3.299065 37.63792 
1 1 1    1  -26   17 o   75.296   20.527   90.383   39.657  114.254   83.858   83.506   45.008   75.412   29.904   70.824   22.577 4.587715 37.46973 
1 1 1    1  -26   18 o  173.692   16.442  441.228   70.467  538.041  119.706  389.889   87.171  167.672   29.675  152.240   23.701 15.43245 37.97824 
1 1 1    1  -26   19 o   95.186   20.766  148.983   47.971  126.681   96.744  156.255   55.240   72.168   30.692   93.971   23.579 -21.80251 38.70371 
1 1 1    1  -25    0 o  306.335   13.123  1191.51  100.387  1105.95  122.728  1364.48  174.506  293.121   16.837  322.505   21.796 -29.38446 27.54215 
1 1 1    1  -25    1 o  326.127   17.343  1372.23  140.733  1350.72  200.051  1393.30  198.017  317.775   25.423  323.357   24.710 -5.582153 35.45267 
1 1 1    1  -25    2 o  181.220   10.626  416.315   47.878  442.727   59.065  365.707   81.760  186.286   12.774  166.593   20.056 19.69324 23.77879 
1 1 1    1  -25    3 o  223.091   11.378  631.803   63.175  547.707   77.127  803.270  110.131  206.379   15.070  248.761   17.847 -42.38213 23.35846 
1 1 1    1  -25    4 o  112.672   10.529  161.847   29.280  111.521   35.731  264.741   51.090   91.917   16.156  143.238   14.482 -51.32097 21.69699 
1 1 1    1  -25    5 o   60.817   16.474   49.259   25.639   49.259   25.639   0.0000   0.0000   60.817   16.474  ?   ?  0.000000 16.47410 
1 1 1    1  -25    6 o  103.298   12.604  137.732   31.838   98.921   41.912  190.684   48.955   85.316   20.017  120.485   16.722 -35.16964 26.08296 
1 1 1    1  -25    7 o  106.372   11.677  145.414   30.507  126.184   38.041  180.071   51.067   97.719   16.154  116.411   18.160 -18.69257 24.30454 
1 1 1    1  -25    8 o   97.277   12.132  122.288   28.831  101.383   35.764  161.084   48.721   87.018   17.068  109.754   18.430 -22.73595 25.11938 
1 1 1    1  -25    9 o  420.570   16.662  2298.89  174.987  2333.86  215.123  2230.50  300.837  419.498   20.536  395.348   30.713 24.14987 36.94599 
1 1 1    1  -25   10 o  164.395   15.619  353.386   63.349  182.644   98.126  475.404   82.952  109.857   33.064  189.712   17.715 -79.85421 37.51062 
1 1 1    1  -25   11 o  124.028   11.369  198.013   34.822  204.306   44.638  188.231   55.656  124.822   14.596  117.537   19.656 7.284531 24.48290 
1 1 1    1  -25   12 o  132.944   11.676  228.340   38.369  201.320   49.345  269.658   61.020  122.727   16.521  141.701   17.625 -18.97403 24.15771 
1 1 1    1  -25   13 o  296.023   12.885  1136.76   95.249  1252.79  118.745  927.388  159.507  307.882   15.494  253.073   25.591 54.80913 29.91637 
1 1 1    1  -25   14 f  137.727   19.885  265.933   66.409  265.933   66.409   0.0000   0.0000  137.727   19.885  ?   ?  0.000000 19.88499 
1 1 1    1  -25   15 o   43.348   15.947   21.704   22.694   13.613   31.087   30.935   33.206   43.579   17.873   51.142   19.198 -7.562782 26.22968 
1 1 1    1  -25   16 o  175.949   12.048  409.222   52.617  429.151   67.858  379.173   83.324  177.061   15.503  160.382   21.334 16.67964 26.37224 
1 1 1    1  -25   17 o  106.096   13.449  153.503   34.833  165.362   46.801  138.777   52.153  106.655   18.227   94.001   22.515 12.65451 28.96772 
1 1 1    1  -25   18 o  140.006   16.233  279.534   55.701  335.234  100.037  254.505   67.058  134.130   30.550  127.544   21.840 6.586357 37.55349 
1 1 1    1  -25   19 o   81.751   20.230  106.097   41.075  180.778   90.287   86.607   46.124   90.237   31.989   71.502   22.862 18.73484 39.31848 
1 1 1    1  -25   20 o   46.053   18.733   24.346   33.800 -16.0035   86.472   31.623   36.722   51.683   24.573   49.319   19.714 2.364262 31.50377 
1 1 1    1  -24    0 o  122.046   9.4705  188.549   28.637  184.964   36.737  194.102   45.719  120.286   12.409  122.543   15.272 -2.256935 19.67734 
1 1 1    1  -24    1 o  153.705   18.265  307.871   68.733   0.0000   0.0000  307.871   68.733  ?   ?   153.705   18.265 0.000000 18.26458 
1 1 1    1  -24    2 f  123.492   13.341  195.797   40.488  195.797   40.488   0.0000   0.0000  123.492   13.341  ?   ?  0.000000 13.34103 
1 1 1    1  -24    3 o  155.705   13.408  310.297   51.627  236.587   75.395  375.371   70.840  132.296   23.692  170.212   16.889 -37.91679 29.09529 
1 1 1    1  -24    4 o  134.792   10.239  230.606   34.207  230.860   42.301  230.126   58.145  134.266   12.770  132.441   18.051 1.824432 22.11157 
1 1 1    1  -24    5 o  160.637   10.397  327.262   41.482  303.914   51.209  371.822   70.744  153.963   13.454  169.185   16.974 -15.22208 21.65918 
1 1 1    1  -24    6 o  482.679   18.487  3020.47  222.833  3049.02  273.369  2963.93  384.678  480.370   22.789  457.836   33.887 22.53369 40.83698 
1 1 1    1  -24    7 o  113.684   17.869  170.932   49.054  170.932   49.054   0.0000   0.0000  113.684   17.869  ?   ?  0.000000 17.86874 
1 1 1    1  -24    8 o  373.967   15.170  1795.49  141.667  1738.33  174.098  1907.51  243.728  364.539   19.192  374.692   26.213 -10.15253 32.48842 
1 1 1    1  -24    9 o  175.360   11.115  391.586   48.422  346.663   60.337  472.866   81.160  163.660   14.928  190.275   17.269 -26.61456 22.82660 
1 1 1    1  -24   10 o  149.048   11.332  283.809   41.860  290.774   52.892  272.132   68.481  149.887   14.305  142.733   19.741 7.154388 24.37923 
1 1 1    1  -24   11 o  355.469   14.929  1629.74  132.519  1620.61  163.408  1647.27  226.497  350.866   18.718  345.039   26.489 5.826813 32.43515 
1 1 1    1  -24   12 o  250.468   15.311  815.819   95.306  897.340  143.310  751.173  127.618  256.906   22.567  235.435   21.960 21.47110 31.48831 
1 1 1    1  -24   13 o  163.175   11.343  341.791   45.935  308.810   58.643  394.153   73.892  153.237   15.540  172.226   17.421 -18.98860 23.34454 
1 1 1    1  -24   14 o  126.520   11.619  207.124   36.299  208.614   47.670  205.067   56.000  125.285   15.573  122.512   18.913 2.772240 24.49946 
1 1 1    1  -24   15 o   63.823   16.247   56.153   25.962   63.601   35.171   47.237   38.483   67.292   19.682   60.037   20.916 7.255112 28.72044 
1 1 1    1  -24   16 o   35.053   14.827   3.5342   22.376   5.7698   31.740   1.3252   31.551   41.428   17.599   39.929   17.262 1.499611 24.65116 
1 1 1    1  -24   17 o  158.863   11.702  331.357   46.094  352.264   60.252  301.853   71.575  161.228   15.142  144.762   20.363 16.46637 25.37576 
1 1 1    1  -24   18 o   98.036   13.935  131.277   33.154  116.988   45.300  147.760   48.652   87.930   20.932   99.715   20.230 -11.78512 29.11043 
1 1 1    1  -24   19 o  155.014   16.142  338.800   61.568  315.808  105.968  350.517   75.645  127.507   33.019  152.862   20.320 -25.35490 38.77064 
1 1 1    1  -24   20 o  116.674   17.412  199.537   49.178  228.854   98.585  189.825   56.742  102.317   33.483  109.687   21.484 -7.369560 39.78344 
1 1 1    1  -24   21 o  171.055   16.278  424.852   68.696  518.489  120.631  379.911   83.571  163.615   30.651  152.504   22.631 11.11127 38.10040 
1 1 1    1  -24   22 o  105.350   19.240  174.555   48.751  211.258  104.632  164.378   55.097   88.583   33.886   97.697   22.970 -9.114021 40.93783 
1 1 1    1  -23    0 f  112.661   15.333  164.135   42.017   0.0000   0.0000  164.135   42.017  ?   ?   112.661   15.333 0.000000 15.33323 
1 1 1    1  -23    1 o  238.323   14.390  723.650   85.239  723.650   85.239   0.0000   0.0000  238.323   14.390  ?   ?  0.000000 14.39011 
1 1 1    1  -23    2 o  173.969   10.347  382.675   44.747  344.576   54.836  458.608   77.414  164.318   13.483  188.754   16.592 -24.43571 21.37966 
1 1 1    1  -23    3 o  182.848   10.575  423.020   48.078  387.404   59.000  493.415   82.946  174.173   13.675  195.519   17.162 -21.34648 21.94416 
1 1 1    1  -23    4 o  190.415   13.261  462.342   62.664  490.927   91.580  437.175   85.931  194.115   19.142  183.113   19.072 11.00307 27.02131 
1 1 1    1  -23    5 o  148.474   10.135  279.287   37.354  289.347   46.421  260.808   62.917  150.590   12.456  141.166   18.277 9.423782 22.11796 
1 1 1    1  -23    6 o  382.111   15.273  1866.81  145.736  1704.82  178.618  2189.38  252.062  361.776   19.847  405.263   25.029 -43.48737 31.94332 
1 1 1    1  -23    7 o  208.943   11.127  553.810   57.850  546.932   71.620  566.720   98.125  206.711   13.956  208.263   19.080 -1.551834 23.63928 
1 1 1    1  -23    8 o  359.201   14.876  1650.59  133.438  1395.33  163.424  2161.18  231.130  326.481   20.144  403.788   23.017 -77.30740 30.58688 
1 1 1    1  -23    9 o  159.335   12.969  325.177   51.153  359.187   70.868  288.186   73.909  165.925   17.361  147.096   20.693 18.82860 27.01100 
1 1 1    1  -23   10 o  250.249   12.169  796.069   76.044  784.167   94.228  818.296  128.773  246.635   15.376  248.697   20.930 -2.062668 25.97050 
1 1 1    1  -23   11 o  113.077   11.240  163.772   31.318  173.621   40.389  148.921   49.595  115.597   14.296  105.153   19.609 10.44360 24.26688 
1 1 1    1  -23   12 o   98.616   12.243  125.706   29.501   84.959   38.538  183.378   45.849   78.923   19.634  118.184   15.942 -39.26099 25.29134 
1 1 1    1  -23   13 o  188.040   14.612  458.107   68.074  458.923  107.320  457.558   88.057  182.750   24.105  185.482   19.294 -2.732193 30.87514 
1 1 1    1  -23   14 o  218.899   11.719  613.665   63.826  634.561   80.616  578.564  104.483  221.044   14.688  207.331   20.447 13.71266 25.17554 
1 1 1    1  -23   15 o   79.418   14.231   83.989   27.187   61.139   36.747  111.620   40.409   66.822   20.261   90.207   18.558 -23.38546 27.47559 
1 1 1    1  -23   16 o  104.653   12.718  143.529   32.553  133.613   43.745  155.835   48.732   98.463   18.470  106.213   19.075 -7.750160 26.55120 
1 1 1    1  -23   17 f   87.809   22.125  112.468   48.495  112.468   48.495   0.0000   0.0000   87.809   22.125  ?   ?  0.000000 22.12534 
1 1 1    1  -23   18 o   88.267   13.917  105.159   29.660  108.329   41.211  101.752   42.720   86.749   19.498   83.419   20.624 3.329704 28.38220 
1 1 1    1  -23   19 o  148.283   12.273  291.425   45.038  273.763   59.660  314.826   68.673  139.684   17.487  148.534   18.946 -8.850677 25.78243 
1 1 1    1  -23   20 o  101.894   14.138  142.755   35.004   69.403   47.832  227.336   51.363   66.909   23.318  126.879   16.610 -59.96948 28.62885 
1 1 1    1  -23   21 o   49.116   18.749   30.595   31.990 -68.5188   83.422   47.682   34.637   47.504   22.983   56.866   19.841 -9.362244 30.36293 
1 1 1    1  -23   22 o   40.704   17.313   10.238   30.786   58.695   89.464   3.7287   32.789   64.049   28.338   39.625   17.356 24.42439 33.23040 
1 1 1    1  -23   23 o  121.674   18.347  225.433   54.014  198.928  109.437  233.969   62.105   86.443   34.199  120.176   21.483 -33.73314 40.38654 
1 1 1    1  -22    0 f  148.053   12.485  278.320   45.728  278.320   45.728   0.0000   0.0000  148.053   12.485  ?   ?  0.000000 12.48483 
1 1 1    1  -22    1 o  189.518   14.156  457.098   66.509  469.664   84.831  437.052  107.146  191.028   17.995  182.057   24.165 8.971222 30.12908 
1 1 1    1  -22    2 o   63.611   11.870   52.660   18.162   39.756   22.084   79.633   31.928   55.152   15.429   77.587   16.953 -22.43528 22.92293 
1 1 1    1  -22    3 o  220.216   11.296  613.218   61.910  624.931   76.123  590.333  106.402  221.628   13.823  213.126   20.235 8.502045 24.50572 
1 1 1    1  -22    4 o  188.856   10.467  450.791   49.173  420.267   60.576  509.763   84.199  181.606   13.453  198.931   17.116 -17.32455 21.77020 
1 1 1    1  -22    5 o  181.638   10.164  416.986   45.919  408.925   56.844  432.125   77.903  179.239   12.784  182.881   17.263 -3.641357 21.48075 
1 1 1    1  -22    6 o  260.735   15.787  871.519  102.308  701.782  146.778  1031.91  142.679  228.679   26.174  281.387   20.445 -52.70729 33.21279 
1 1 1    1  -22    7 o  427.019   16.517  2337.41  176.124  2312.57  216.164  2386.47  303.772  421.777   20.523  419.317   29.193 2.459747 35.68494 
1 1 1    1  -22    8 o  365.233   14.906  1703.29  135.953  1612.98  167.022  1880.60  234.042  352.507   19.045  375.544   25.101 -23.03711 31.50805 
1 1 1    1  -22    9 o  349.283   14.433  1556.87  125.889  1503.00  154.876  1661.78  216.122  340.539   18.279  352.913   24.679 -12.37482 30.71101 
1 1 1    1  -22   10 o  418.955   31.007  2433.02  322.095  2433.02  322.095   0.0000   0.0000  418.955   31.007  ?   ?  0.000000 31.00707 
1 1 1    1  -22   11 o  281.472   12.715  1007.73   89.372  1026.06  110.767  973.527  151.282  282.224   15.780  270.574   22.597 11.65015 27.56117 
1 1 1    1  -22   12 o  172.990   11.174  380.855   48.012  367.775   60.633  402.844   78.614  168.887   14.518  175.267   18.228 -6.380188 23.30326 
1 1 1    1  -22   13 o  313.366   13.846  1256.66  108.350  1174.62  133.877  1412.42  184.471  300.026   17.951  324.808   22.890 -24.78177 29.08917 
1 1 1    1  -22   14 o  369.246   14.654  1753.64  135.121  1847.92  167.212  1576.24  229.379  376.445   17.788  337.118   27.486 39.32663 32.73986 
1 1 1    1  -22   15 o  142.833   14.768  265.824   51.913  265.416   89.063  266.033   63.889  136.475   27.089  141.235   18.564 -4.760071 32.83994 
1 1 1    1  -22   16 f  101.231   12.660  133.406   31.305  119.715   42.394  149.823   46.424   93.628   18.785  105.207   18.337 -11.57974 26.25139 
1 1 1    1  -22   17 o  160.924   11.110  332.975   44.375  407.043   58.570  233.171   67.988  176.898   13.357  129.192   21.853 47.70645 25.61214 
1 1 1    1  -22   18 o   73.456   20.399   76.613   38.751   76.613   38.751   0.0000   0.0000   73.456   20.399  ?   ?  0.000000 20.39906 
1 1 1    1  -22   19 o   64.820   16.562   58.637   26.908   78.042   38.795   40.649   37.352   73.490   20.412   56.572   20.512 16.91790 28.93758 
1 1 1    1  -22   20 o   75.302   16.024   79.337   29.206   20.599   41.039  139.615   41.573   49.858   20.502   99.741   17.320 -49.88339 26.83833 
1 1 1    1  -22   21 o  177.949   12.341  421.243   54.499  389.811   70.843  466.816   85.303  166.365   17.306  179.757   19.306 -13.39215 25.92688 
1 1 1    1  -22   22 o  156.669   15.201  341.572   58.724  511.684  109.705  273.253   69.523  176.995   25.562  133.462   21.598 43.53246 33.46459 
1 1 1    1  -22   23 o   52.909   19.291   39.690   33.105  -7.9924   90.332   47.088   35.581   55.368   25.951   56.338   20.069 -0.9700089 32.80626 
1 1 1    1  -22   24 o   92.512   19.902  134.447   44.613  114.138  103.213  139.114   49.473   72.759   31.338   92.133   21.837 -19.37434 38.19569 
1 1 1    1  -21    0 o   91.999   9.5988  107.312   21.727  105.337   27.496  110.596   35.452   90.662   12.475   92.246   15.968 -1.584091 20.26396 
1 1 1    1  -21    1 o  272.225   10.941  931.478   74.376  882.673  103.110  984.415  107.387  263.614   15.735  278.509   15.502 -14.89520 22.08854 
1 1 1    1  -21    2 o  182.233   13.203  421.195   59.678  381.973   74.889  489.432   98.780  172.421   17.642  194.451   20.659 -22.02968 27.16669 
1 1 1    1  -21    3 o  403.327   15.989  2065.96  161.042  1983.66  197.309  2230.18  278.725  392.780   20.184  411.720   27.264 -18.94034 33.92241 
1 1 1    1  -21    4 o  121.274   9.8044  186.105   29.438  180.994   36.575  195.505   49.606  119.095   12.484  122.863   16.593 -3.767853 20.76428 
1 1 1    1  -21    5 o  153.548   9.9286  297.865   37.866  293.011   46.944  306.905   64.064  151.767   12.498  154.198   16.915 -2.430435 21.03128 
1 1 1    1  -21    6 o  122.844   9.9131  191.171   30.151  161.604   37.780  243.029   50.035  112.077   13.790  137.510   14.804 -25.43286 20.23177 
1 1 1    1  -21    7 o  509.714   24.223  3411.88  308.326  3481.73  437.928  3343.21  434.173  500.475   35.266  489.703   35.751 10.77255 50.21790 
1 1 1    1  -21    8 o  131.906   10.312  220.684   33.698  152.356   42.135  341.946   56.132  108.077   16.104  163.477   13.881 -55.39928 21.26095 
1 1 1    1  -21    9 o  105.027   10.917  140.768   28.213   74.044   35.613  253.207   46.230   74.313   19.090  140.600   13.326 -66.28718 23.28097 
1 1 1    1  -21   10 o  369.991   14.993  1748.20  138.524  1745.66  170.428  1753.13  237.793  367.069   18.654  361.261   26.545 5.808472 32.44378 
1 1 1    1  -21   11 o  246.920   11.913  772.643   73.454  749.979   90.954  815.144  124.554  241.741   15.143  249.513   20.162 -7.772629 25.21576 
1 1 1    1  -21   12 o  154.631   12.608  305.677   48.261  310.179   67.751  301.038   68.763  153.975   17.958  151.424   18.574 2.550247 25.83572 
1 1 1    1  -21   13 o  198.536   13.264  504.289   65.384  508.240   92.863  500.405   92.074  196.807   19.137  195.277   19.127 1.529617 27.05698 
1 1 1    1  -21   14 o  238.216   12.093  723.053   71.703  692.794   89.530  777.175  119.739  231.644   15.568  242.927   19.913 -11.28326 25.27633 
1 1 1    1  -21   15 o  156.784   11.792  314.211   45.829  242.598   58.519  427.792   73.698  135.616   17.702  181.220   16.465 -45.60411 24.17557 
1 1 1    1  -21   16 o  143.727   15.289  269.315   54.032  190.492   92.664  309.920   66.509  113.538   31.550  153.234   17.707 -39.69666 36.17910 
1 1 1    1  -21   17 o  172.423   11.606  380.940   49.681  374.532   64.231  390.483   78.383  169.357   15.354  171.232   18.632 -1.874207 24.14330 
1 1 1    1  -21   18 o   77.904   14.708   81.163   27.564   61.195   38.825  101.454   39.138   67.011   20.919   85.858   18.777 -18.84701 28.11015 
1 1 1    1  -21   19 o  150.041   11.796  291.443   43.841  296.647   58.150  284.590   66.733  149.309   15.838  144.340   18.974 4.969040 24.71536 
1 1 1    1  -21   20 o  119.367   21.514  203.717   61.771  203.717   61.771   0.0000   0.0000  119.367   21.514  ?   ?  0.000000 21.51428 
1 1 1    1  -21   21 o  105.810   13.079  149.179   33.821  163.270   47.803  135.055   47.859  107.642   18.447   96.418   20.508 11.22408 27.58389 
1 1 1    1  -21   22 o  309.449   14.456  1289.75  111.712  1322.85  139.990  1231.72  185.365  306.222   18.392  277.778   27.066 28.44376 32.72393 
1 1 1    1  -21   23 o  102.365   13.973  143.903   34.786  131.608   49.240  156.153   49.150   92.143   21.749  102.190   19.976 -10.04706 29.53116 
1 1 1    1  -21   24 o   54.747   19.807   42.844   34.801   0.0000   0.0000   42.844   34.801  ?   ?    54.747   19.807 0.000000 19.80717 
1 1 1    1  -21   25 o   63.040   20.247   62.805   36.145  238.217   94.545   32.778   39.117  105.538   32.594   50.997   20.360 54.54057 38.43056 
1 1 1    1  -21   26 o   50.690   19.201   36.605   33.390 -25.7064  100.494   44.337   35.401   53.339   25.661   54.071   19.914 -0.7322044 32.48122 
1 1 1    1  -20    0 o   50.526   11.842   33.338   14.680   34.847   18.180   30.509   24.887   51.739   13.812   50.539   16.837 1.200397 21.77779 
1 1 1    1  -20    1 o   34.288   11.850   13.320   12.341   19.506   14.869  -0.3828   22.128   40.051   12.998   34.304   14.636 5.747307 19.57484 
1 1 1    1  -20    2 o  488.338   15.746  3013.38  192.016  2833.77  270.198  3196.64  272.928  470.401   23.002  500.224   21.849 -29.82327 31.72483 
1 1 1    1  -20    3 o  283.196   12.511  1009.83   88.474  996.601  108.619  1035.90  152.509  280.274   15.581  283.692   21.692 -3.417969 26.70784 
1 1 1    1  -20    4 o  178.402   17.700  408.570   77.811  408.570   77.811   0.0000   0.0000  178.402   17.700  ?   ?  0.000000 17.69954 
1 1 1    1  -20    5 o  215.304   11.019  584.926   59.047  575.327   72.845  603.316  100.828  212.899   13.776  216.533   18.834 -3.634354 23.33456 
1 1 1    1  -20    6 o  168.803   10.170  359.713   42.669  355.769   53.065  366.928   71.774  167.340   12.796  168.793   17.271 -1.452820 21.49457 
1 1 1    1  -20    7 o  137.806   10.181  240.308   34.788  222.832   43.617  270.857   57.668  132.014   13.417  144.959   16.208 -12.94511 21.04134 
1 1 1    1  -20    8 o  266.393   12.219  897.087   81.286  792.932  100.073  1099.08  139.361  248.807   16.195  291.649   19.243 -42.84172 25.15096 
1 1 1    1  -20    9 o  157.043   12.788  314.339   49.714  339.843   76.743  295.899   65.257  161.269   19.449  150.948   17.645 10.32126 26.26039 
1 1 1    1  -20   10 o  308.423   13.380  1207.41  103.053  1203.78  127.056  1214.39  176.178  306.161   16.682  303.481   23.429 2.680145 28.76058 
1 1 1    1  -20   11 o  184.165   10.309  429.142   47.221  477.386   59.536  347.315   77.536  193.725   12.371  162.794   19.458 30.93089 23.05814 
1 1 1    1  -20   12 o  134.772   10.843  230.907   36.183  187.801   46.133  299.812   58.326  120.201   15.748  152.377   15.546 -32.17586 22.12861 
1 1 1    1  -20   13 o  219.943   19.970  633.826  108.486  633.826  108.486   0.0000   0.0000  219.943   19.970  ?   ?  0.000000 19.96968 
1 1 1    1  -20   14 o  173.430   11.089  382.140   47.772  360.642   60.627  417.350   77.589  167.382   14.652  179.020   17.583 -11.63789 22.88749 
1 1 1    1  -20   15 o  157.095   10.926  313.890   42.596  303.495   54.838  329.703   67.636  153.400   14.487  158.888   17.327 -5.487930 22.58570 
1 1 1    1  -20   16 o   92.287   12.431  110.220   27.920  113.187   38.330  106.867   40.750   92.149   17.292   89.007   18.917 3.142258 25.62922 
1 1 1    1  -20   17 o   75.627   14.429   75.692   26.256   71.263   36.849   80.261   37.421   72.425   19.805   76.772   19.486 -4.346291 27.78361 
1 1 1    1  -20   18 o  207.904   12.111  553.495   62.606  535.450   80.080  581.860  100.403  202.635   15.955  209.185   19.443 -6.549164 25.15111 
1 1 1    1  -20   19 o  109.063   12.384  154.300   33.130  170.130   45.937  137.140   47.826  112.919   16.803   99.922   19.866 12.99760 26.01931 
1 1 1    1  -20   20 o  129.691   12.097  218.100   38.726  207.861   52.257  230.571   57.676  124.242   17.314  130.478   18.197 -6.236107 25.11742 
1 1 1    1  -20   21 o  145.691   20.717  297.011   73.248  297.011   73.248   0.0000   0.0000  145.691   20.717  ?   ?  0.000000 20.71691 
1 1 1    1  -20   22 o  327.871   14.569  1426.69  119.288  1490.24  149.461  1315.19  197.989  329.241   18.250  293.169   27.360 36.07147 32.88840 
1 1 1    1  -20   23 o  209.581   12.597  580.931   65.621  582.441   84.980  578.701  103.277  205.596   16.696  199.629   21.034 5.967331 26.85477 
1 1 1    1  -20   24 o  135.783   18.232  264.512   60.260  264.512   60.260   0.0000   0.0000  135.783   18.232  ?   ?  0.000000 18.23241 
1 1 1    1  -20   25 o   72.381   19.670   80.180   36.481   38.065   95.663   87.347   39.464   63.772   28.683   75.044   20.485 -11.27181 35.24687 
1 1 1    1  -20   26 o   90.954   18.708  125.040   41.073  248.555  101.607  100.915   44.905  106.617   33.915   78.701   21.996 27.91575 40.42385 
1 1 1    1  -20   27 o   77.376   20.360   96.524   39.871   97.879  105.727   96.300   43.050   69.683   30.819   76.101   21.631 -6.418518 37.65285 
1 1 1    1  -19    0 f  197.100   13.286  489.896   65.009  366.765   92.538  609.879   91.347  168.641   22.538  219.422   16.799 -50.78073 28.10946 
1 1 1    1  -19    1 o  234.493   10.107  688.961   59.185  641.929   81.642  741.055   85.923  225.465   14.579  242.369   14.259 -16.90413 20.39282 
1 1 1    1  -19    2 o  119.120   8.7767  178.645   25.924  174.472   34.364  184.155   39.491  117.302   11.896  120.313   13.370 -3.010170 17.89640 
1 1 1    1  -19    3 o  273.874   10.865  941.198   74.306  1019.09  103.699  858.997  106.527  284.034   14.670  260.302   16.473 23.73196 22.05866 
1 1 1    1  -19    4 o  255.375   11.410  819.302   72.766  803.226   89.494  850.661  124.994  252.030   14.278  257.997   19.546 -5.966843 24.20592 
1 1 1    1  -19    5 o  247.966   20.363  789.554  124.980  789.554  124.980   0.0000   0.0000  247.966   20.363  ?   ?  0.000000 20.36336 
1 1 1    1  -19    6 o  130.534   9.6459  215.077   31.220  229.978   39.353  189.774   51.281  134.652   11.823  121.011   17.477 13.64094 21.10016 
1 1 1    1  -19    7 o  260.977   11.937  858.430   77.792  810.752   95.776  950.863  133.357  252.438   15.265  271.795   19.784 -19.35721 24.98852 
1 1 1    1  -19    8 o  169.441   10.130  362.407   42.667  380.057   53.352  331.092   71.066  173.067   12.428  159.999   18.105 13.06786 21.96019 
1 1 1    1  -19    9 o  465.784   17.581  2774.72  204.497  2816.76  251.054  2691.83  352.529  466.527   21.550  445.986   31.863 20.54175 38.46641 
1 1 1    1  -19   10 o  117.241   12.824  175.963   36.932  198.760   60.134  162.156   46.798  122.600   20.356  111.334   17.402 11.26604 26.78044 
1 1 1    1  -19   11 o   99.871   10.387  127.040   25.527  143.412   33.193  103.341   39.936  105.662   12.844   88.052   18.738 17.60981 22.71705 
1 1 1    1  -19   12 o   95.055   10.759  115.434   25.088  121.565   32.957  106.985   38.688   96.843   14.037   89.769   17.886 7.073074 22.73693 
1 1 1    1  -19   13 o  180.590   10.584  412.990   47.522  415.298   59.811  409.037   78.264  180.348   13.376  177.442   17.908 2.906250 22.35172 
1 1 1    1  -19   14 o  229.410   11.444  665.810   65.558  668.882   81.817  660.298  109.574  228.647   14.403  224.834   19.715 3.812714 24.41590 
1 1 1    1  -19   15 o  281.683   15.577  1018.97  109.144  1063.27  154.881  975.281  153.829  283.902   22.019  271.234   22.926 12.66730 31.78717 
1 1 1    1  -19   16 o  436.713   17.111  2459.29  186.607  2491.45  229.865  2397.14  319.578  435.961   21.114  415.574   31.018 20.38629 37.52262 
1 1 1    1  -19   17 o   52.954   15.712   36.623   22.275 -27.0813   31.671   98.979   31.334   33.535   15.601   86.733   15.011 -53.19831 21.65004 
1 1 1    1  -19   18 o  179.097   11.075  408.308   49.290  435.481   63.884  368.338   77.479  183.947   14.013  167.032   18.908 16.91464 23.53476 
1 1 1    1  -19   19 o  326.658   15.707  1379.55  128.129  1784.84  192.828  1059.14  171.453  365.966   21.190  278.262   24.939 87.70407 32.72568 
1 1 1    1  -19   20 o  172.146   12.112  380.682   51.735  350.171   67.756  423.339   80.116  162.926   16.899  178.536   18.225 -15.60994 24.85475 
1 1 1    1  -19   21 o   66.941   15.679   60.810   25.750   72.437   38.676   51.552   34.512   72.151   20.501   62.007   19.770 10.14406 28.48113 
1 1 1    1  -19   22 o  185.247   11.642  443.578   53.581  489.501   71.060  383.063   81.572  192.596   14.891  166.705   19.994 25.89046 24.92955 
1 1 1    1  -19   24 o   75.830   22.150   86.336   44.568   86.336   44.568   0.0000   0.0000   75.830   22.150  ?   ?  0.000000 22.14955 
1 1 1    1  -19   25 o   58.714   17.146   49.415   26.709   66.649   42.836   38.454   34.163   66.516   22.086   53.846   19.603 12.66981 29.53077 
1 1 1    1  -19   26 o  140.130   15.588  274.274   53.621  429.711  109.259  224.959   61.542  158.016   28.748  121.835   20.985 36.18071 35.59261 
1 1 1    1  -19   27 o   77.575   19.635   92.780   38.072  115.782  100.035   88.884   41.170   76.265   31.743   74.805   21.116 1.459885 38.12457 
1 1 1    1  -19   28 o  116.903   17.324  201.927   49.042  373.947  115.018  163.704   54.218  131.104   34.620  100.074   22.269 31.02958 41.16358 
1 1 1    1  -19   29 o   91.569   35.716  244.958  117.898  244.958  117.898   0.0000   0.0000   91.569   35.716  ?   ?  0.000000 35.71578 
1 1 1    1  -18    0 o  177.784   7.9141  395.250   35.136  381.664   47.848  411.148   51.760  174.227   11.055  180.806   11.524 -6.578598 15.96914 
1 1 1    1  -18    1 o  279.332   11.229  977.536   78.328  947.359  109.592  1009.05  111.992  274.038   16.085  282.878   15.919 -8.839783 22.63046 
1 1 1    1  -18    2 o  213.657   13.694  575.461   72.676  519.237  104.259  628.602  101.361  201.557   21.023  222.521   18.406 -20.96405 27.94244 
1 1 1    1  -18    3 o  641.895   20.362  5215.08  326.396  5111.18  460.840  5319.66  462.351  630.949   29.249  643.987   28.750 -13.03845 41.01298 
1 1 1    1  -18    4 o  304.332   11.421  1162.01   86.796  1180.37  121.573  1142.92  123.957  305.618   15.985  300.580   16.578 5.037964 23.02976 
1 1 1    1  -18    5 o   85.045   10.548   92.097   21.920   72.536   27.669  125.067   35.923   74.512   15.380   98.515   15.082 -24.00365 21.54107 
1 1 1    1  -18    6 o  405.023   15.861  2072.62  160.417  2026.63  196.780  2163.74  276.982  399.218   19.739  408.318   27.322 -9.100342 33.70637 
1 1 1    1  -18    7 o  361.202   26.077  1696.18  233.629  1696.18  233.629   0.0000   0.0000  361.202   26.077  ?   ?  0.000000 26.07688 
1 1 1    1  -18    8 o  229.079   10.396  659.508   59.468  733.842   73.798  521.849  100.427  241.025   12.302  201.008   20.285 40.01770 23.72365 
1 1 1    1  -18    9 o  198.477   10.252  496.639   50.637  524.557   63.149  446.359   84.747  203.529   12.485  186.090   18.481 17.43919 22.30334 
1 1 1    1  -18   10 o  188.035   10.330  446.260   48.319  479.407   60.469  387.712   80.365  194.435   12.521  172.998   18.911 21.43770 22.67982 
1 1 1    1  -18   11 o   82.683   11.074   87.678   22.291   85.635   29.176   90.543   34.550   80.865   15.001   82.714   17.284 -1.848770 22.88557 
1 1 1    1  -18   12 o   78.372   14.875   80.579   28.047   97.216   53.378   74.234   32.964   84.966   24.064   74.654   17.911 10.31178 29.99866 
1 1 1    1  -18   13 o  252.589   11.933  806.706   75.270  822.570   93.470  777.442  126.953  253.798   14.812  243.974   21.044 9.823853 25.73393 
1 1 1    1  -18   14 o  220.920   11.461  618.437   63.008  620.811   78.786  614.223  104.951  220.420   14.393  217.169   19.563 3.251358 24.28670 
1 1 1    1  -18   15 o  104.536   10.722  139.360   27.594  171.148   36.976   99.410   41.453  115.427   13.058   86.002   19.722 29.42573 23.65299 
1 1 1    1  -18   16 o  165.029   18.583  355.882   75.249  355.882   75.249   0.0000   0.0000  165.029   18.583  ?   ?  0.000000 18.58285 
1 1 1    1  -18   17 o  172.623   11.248  378.637   48.222  363.638   61.959  401.679   76.798  168.051   14.920  175.617   17.756 -7.565826 23.19176 
1 1 1    1  -18   18 o  119.083   11.195  181.102   32.900  221.705   44.891  133.988   48.357  131.123   13.923   99.715   20.114 31.40790 24.46256 
1 1 1    1  -18   19 o  130.388   11.247  217.090   36.263  235.701   48.810  194.163   54.175  134.872   14.732  120.965   18.524 13.90727 23.66820 
1 1 1    1  -18   20 o  283.703   16.417  1044.94  115.813  1106.39  176.033  998.046  153.781  284.976   24.989  272.474   22.811 12.50244 33.83438 
1 1 1    1  -18   21 o  111.271   12.584  160.261   34.352  143.259   48.082  177.986   49.095  102.684   19.464  115.527   17.572 -12.84306 26.22201 
1 1 1    1  -18   22 o  179.331   11.287  412.483   50.289  489.296   67.409  316.073   75.520  194.026   14.007  152.355   20.359 41.67130 24.71177 
1 1 1    1  -18   23 o  129.230   12.467  217.447   39.734  223.186   56.025  211.639   56.362  128.218   17.993  124.409   18.722 3.808609 25.96670 
1 1 1    1  -18   24 o   84.687   23.804  106.539   52.434  106.539   52.434   0.0000   0.0000   84.687   23.804  ?   ?  0.000000 23.80374 
1 1 1    1  -18   25 o   63.800   16.741   57.324   27.007   58.218   42.267   56.708   35.108   64.134   21.941   63.084   19.922 1.049698 29.63643 
1 1 1    1  -18   26 f   58.356   17.055   48.506   26.418   57.586   43.302   43.122   33.342   63.095   22.175   55.953   19.470 7.141621 29.50951 
1 1 1    1  -18   27 o  141.544   12.511  268.743   43.767  314.338   62.528  224.944   61.283  148.871   17.132  122.414   20.791 26.45736 26.94017 
1 1 1    1  -18   28 o   77.216   19.760   91.558   38.259   63.310  101.082   96.281   41.334   67.878   30.072   78.476   20.769 -10.59773 36.54681 
1 1 1    1  -18   29 f   81.749   20.554  106.048   41.915 -16.5222  107.241  128.148   45.537   57.029   27.185   90.049   20.686 -33.01973 34.16025 
1 1 1    1  -18   30 o   37.138   16.282   2.9934   28.915  133.084  108.046  -7.0423   30.009   74.037   31.975   34.912   15.848 39.12481 35.68748 
1 1 1    1  -17    0 o  701.958   21.787  6211.25  381.906  6075.86  539.532  6347.20  540.662  690.802   31.276  706.328   30.653 -15.52618 43.79250 
1 1 1    1  -17    1 o  379.256   12.303  1801.78  116.522  1700.13  163.764  1906.02  165.828  367.744   17.833  389.489   17.050 -21.74496 24.67188 
1 1 1    1  -17    2 o  390.664   12.642  1912.74  123.332  1948.91  173.583  1875.86  175.265  393.641   17.659  386.110   18.178 7.530975 25.34258 
1 1 1    1  -17    3 o  396.836   14.134  1976.50  140.063  2054.84  197.383  1897.04  198.783  403.665   19.581  387.113   20.638 16.55151 28.44878 
1 1 1    1  -17    4 o  299.888   16.357  1134.93  122.034  997.275  173.768  1268.89  171.421  278.969   25.216  315.871   21.867 -36.90201 33.37693 
1 1 1    1  -17    5 o  519.957   19.447  3417.51  252.506  3342.69  309.431  3566.64  436.858  512.523   24.177  523.915   33.568 -11.39124 41.36783 
1 1 1    1  -17    6 o  341.978   13.795  1470.55  117.805  1503.69  144.782  1405.62  202.649  345.225   16.794  330.933   24.700 14.29214 29.86851 
1 1 1    1  -17    7 o  323.097   13.269  1313.15  107.062  1339.48  131.692  1261.81  183.859  325.732   16.190  313.373   23.669 12.35913 28.67678 
1 1 1    1  -17    8 o  118.325   16.476  180.372   47.362  180.372   47.362   0.0000   0.0000  118.325   16.476  ?   ?  0.000000 16.47599 
1 1 1    1  -17    9 o  216.289   10.325  587.554   55.768  623.168   69.343  522.335   93.838  222.092   12.555  201.732   18.846 20.35985 22.64465 
1 1 1    1  -17   10 o  157.883   10.196  314.538   39.983  315.788   50.223  312.375   66.070  157.711   12.865  155.825   17.270 1.885880 21.53445 
1 1 1    1  -17   11 o  199.826   10.237  503.483   50.910  551.594   63.734  418.665   84.624  208.742   12.281  179.906   19.130 28.83591 22.73247 
1 1 1    1  -17   12 o  130.459   10.101  215.396   32.650  221.449   41.800  205.925   52.291  131.750   12.869  125.977   17.061 5.773109 21.37047 
1 1 1    1  -17   13 o  101.375   13.755  132.536   33.921  121.136   59.677  137.977   41.229   94.453   24.935  102.760   16.635 -8.307442 29.97453 
1 1 1    1  -17   14 o  179.665   10.232  407.926   45.717  448.621   58.007  341.197   74.277  187.921   12.431  161.926   18.714 25.99509 22.46645 
1 1 1    1  -17   15 o   90.652   11.379  105.366   25.191   85.414   33.711  130.597   37.908   80.169   17.343  100.051   15.689 -19.88195 23.38601 
1 1 1    1  -17   16 o  122.881   10.735  191.972   32.611  190.728   42.812  193.691   50.335  121.628   14.373  121.834   17.008 -0.2067184 22.26800 
1 1 1    1  -17   17 o  354.230   18.280  1621.76  161.150  1621.76  161.150   0.0000   0.0000  354.230   18.280  ?   ?  0.000000 18.28013 
1 1 1    1  -17   18 o   98.439   11.868  124.434   28.585  140.109   39.829  107.785   41.049  103.483   15.923   89.710   18.919 13.77244 24.72812 
1 1 1    1  -17   19 o  155.196   11.122  306.305   42.819  325.021   56.521  281.094   65.599  158.940   14.397  146.354   18.353 12.58614 23.32567 
1 1 1    1  -17   20 o   67.370   14.474   60.177   23.625   73.727   35.878   49.803   31.392   73.890   19.251   61.591   18.738 12.29873 26.86486 
1 1 1    1  -17   21 o   63.431   15.222   53.741   23.804   78.466   36.983   36.254   31.103   76.007   19.415   54.670   18.817 21.33736 27.03738 
1 1 1    1  -17   22 o  114.126   17.955  173.877   49.480   0.0000   0.0000  173.877   49.480  ?   ?   114.126   17.955 0.000000 17.95498 
1 1 1    1  -17   23 o   68.683   21.306   64.218   40.349   64.218   40.349   0.0000   0.0000   68.683   21.306  ?   ?  0.000000 21.30645 
1 1 1    1  -17   24 o   71.872   15.026   69.805   26.100  118.425   41.293   37.458   33.681   92.745   18.478   55.147   19.539 37.59836 26.89281 
1 1 1    1  -17   25 o   62.256   16.622   53.590   26.327   57.802   40.946   50.621   34.374   64.784   21.597   60.885   19.764 3.899357 29.27558 
1 1 1    1  -17   26 o   51.703   16.681   36.000   24.514   51.967   41.565   27.483   30.356   61.698   21.722   48.918   18.357 12.78077 28.43999 
1 1 1    1  -17   27 o   81.115   15.910   92.023   31.075   80.753   48.590   99.822   40.423   72.615   23.491   82.299   19.890 -9.683891 30.78054 
1 1 1    1  -17   28 o   91.717   15.651  117.973   34.559   83.377   53.134  143.340   45.498   72.246   24.601   98.788   19.134 -26.54221 31.16644 
1 1 1    1  -17   29 o   92.833   18.696  127.931   41.843  162.046  106.598  121.717   45.495   86.865   33.939   88.731   20.880 -1.866180 39.84748 
1 1 1    1  -17   30 o   67.182   19.997   70.763   36.040  101.714  107.992   66.884   38.232   72.748   31.691   65.001   20.818 7.747597 37.91709 
1 1 1    1  -17   31 o   56.323   19.520   49.110   33.498  188.307  110.886   35.131   35.140   84.634   34.106   50.569   19.561 34.06441 39.31770 
1 1 1    1  -16    0 o  274.009   15.614  944.500  106.398  1022.78  148.217  861.276  152.829  284.341   21.023  260.295   23.774 24.04678 31.73628 
1 1 1    1  -16    1 o  262.097   9.7008  859.208   63.492  816.817   88.837  903.474   90.779  254.929   14.008  268.198   13.599 -13.26921 19.52343 
1 1 1    1  -16    2 o  214.965   9.0965  577.907   48.830  567.789   67.910  588.739   70.263  212.518   12.857  216.394   13.064 -3.875641 18.32940 
1 1 1    1  -16    3 o  213.036   9.3892  567.714   49.950  530.486   69.378  607.778   71.972  205.277   13.611  219.837   13.171 -14.56044 18.94051 
1 1 1    1  -16    4 o  140.280   7.7132  246.783   26.916  230.511   36.562  266.035   39.770  135.251   10.918  145.348   11.039 -10.09737 15.52684 
1 1 1    1  -16    5 o  241.799   12.950  735.259   77.913  913.379  113.285  575.380  107.328  268.945   16.955  212.565   20.473 56.37996 26.58169 
1 1 1    1  -16    6 o  394.218   15.117  1953.43  148.816  2003.87  182.732  1854.10  256.443  398.645   18.356  380.340   27.179 18.30527 32.79725 
1 1 1    1  -16    7 o  527.800   18.961  3520.01  249.910  3672.53  306.645  3218.34  431.259  537.678   22.838  496.557   35.003 41.12057 41.79483 
1 1 1    1  -16    8 o  204.818   10.451  527.338   53.276  563.489   66.166  460.691   89.840  211.428   12.589  189.816   19.218 21.61145 22.97434 
1 1 1    1  -16    9 o  222.692   10.401  622.154   57.840  679.120   71.933  517.951   97.288  232.098   12.457  201.066   19.627 31.03214 23.24576 
1 1 1    1  -16   10 o  296.814   22.699  1134.86  166.967  1134.86  166.967   0.0000   0.0000  296.814   22.699  ?   ?  0.000000 22.69858 
1 1 1    1  -16   11 o  357.505   14.439  1615.16  128.907  1650.81  158.661  1545.92  221.107  360.371   17.631  344.360   25.902 16.01175 31.33287 
1 1 1    1  -16   12 o  225.363   11.173  639.317   62.880  636.858   78.244  643.801  105.660  223.977   14.061  223.663   19.101 0.3139954 23.71790 
1 1 1    1  -16   13 o  229.089   10.438  660.423   59.714  740.473   74.805  519.818   99.141  241.876   12.427  200.235   20.098 41.64154 23.62989 
1 1 1    1  -16   14 o  139.017   10.084  244.444   34.769  256.128   44.722  226.591   55.280  141.781   12.769  132.192   17.150 9.588867 21.38134 
1 1 1    1  -16   15 o  353.005   17.814  1600.17  156.525  1674.40  225.483  1531.13  217.454  356.023   25.532  340.196   25.789 15.82684 36.28939 
1 1 1    1  -16   16 o  204.166   10.801  527.135   54.871  557.360   69.239  476.101   89.971  209.276   13.318  191.424   19.076 17.85126 23.26484 
1 1 1    1  -16   17 o  116.984   10.481  173.909   30.293  189.904   40.611  153.844   45.484  121.593   13.608  108.279   17.412 13.31407 22.09839 
1 1 1    1  -16   18 o   54.177   14.456   38.671   19.920   28.890   29.255   47.126   27.199   50.872   18.190   59.889   17.249 -9.016357 25.06817 
1 1 1    1  -16   19 o  335.812   25.717  1507.33  214.018  1507.33  214.018   0.0000   0.0000  335.812   25.717  ?   ?  0.000000 25.71674 
1 1 1    1  -16   20 o   33.461   13.571   6.1105   17.678   48.515   30.106 -16.2045   21.840   60.878   18.313   28.685   13.208 32.19323 22.57863 
1 1 1    1  -16   21 o  114.000   12.147  166.740   34.048  162.362   47.554  171.345   48.771  110.828   17.784  113.938   17.717 -3.109848 25.10264 
1 1 1    1  -16   22 o  243.066   11.630  750.142   70.590  849.865   90.692  596.867  112.436  257.327   14.168  211.671   21.573 45.65553 25.80921 
1 1 1    1  -16   23 o   71.420   17.576   68.999   31.133  132.298   85.262   59.260   33.443   96.155   31.119   66.329   19.133 29.82641 36.53049 
1 1 1    1  -16   24 o   57.853   15.805   44.974   23.480   86.020   39.219   22.042   29.315   78.931   19.902   47.214   17.966 31.71756 26.81151 
1 1 1    1  -16   25 o   96.485   13.386  122.464   31.384  123.243   47.388  121.854   41.886   93.769   20.784   94.230   18.461 -0.4612198 27.79867 
1 1 1    1  -16   26 o   79.964   14.977   86.512   28.807   90.969   46.048   83.646   36.925   79.301   22.313   77.014   19.252 2.286263 29.47098 
1 1 1    1  -16   27 o   63.368   23.710   52.163   50.571   52.163   50.571   0.0000   0.0000   63.368   23.710  ?   ?  0.000000 23.71033 
1 1 1    1  -16   28 o  101.674   13.861  139.701   34.276  159.810   53.237  125.464   44.795  103.981   21.221   92.681   19.946 11.29982 29.12333 
1 1 1    1  -16   29 o   77.925   16.750   86.838   31.625   71.120   52.263   95.918   39.723   68.108   24.317   80.044   19.946 -11.93594 31.45070 
1 1 1    1  -16   30 o  231.624   14.874  739.146   85.575  1284.37  155.923  504.125  102.371  291.052   21.607  179.457   23.401 111.5951 31.85050 
1 1 1    1  -16   31 o   68.450   19.868   72.911   35.959  232.892  113.753   55.149   37.903   98.827   35.802   60.036   20.766 38.79135 41.38861 
1 1 1    1  -16   32 o   31.433   14.456 -12.1142   26.060 -151.9390  108.259  -3.5136   26.850   46.164   23.042   34.268   15.320 11.89679 27.67027 
1 1 1    1  -15    0 o  556.486   17.406  3885.69  241.883  3806.06  341.697  3965.66  342.454  549.343   24.908  560.844   24.452 -11.50134 34.90442 
1 1 1    1  -15    1 o  338.298   16.691  1435.61  141.001  1371.27  197.296  1502.77  201.583  328.932   24.189  344.547   23.571 -15.61511 33.77407 
1 1 1    1  -15    2 o  752.183   23.275  7130.46  437.193  7061.17  617.968  7199.89  618.600  744.943   33.219  752.349   32.926 -7.405884 46.77242 
1 1 1    1  -15    3 o  527.717   16.431  3494.17  216.530  3441.53  305.780  3547.12  306.661  522.410   23.439  530.428   23.152 -8.017456 32.94546 
1 1 1    1  -15    4 o  339.810   10.396  1444.77   88.216  1414.38  123.905  1476.02  125.626  335.861   14.773  343.112   14.662 -7.250916 20.81410 
1 1 1    1  -15    5 o  317.324   11.005  1260.46   87.209  1209.98  122.527  1312.28  124.152  310.080   15.877  323.391   15.374 -13.31110 22.10030 
1 1 1    1  -15    6 o  210.230   10.191  553.173   53.501  620.385   66.402  428.806   90.326  222.210   12.011  183.400   20.049 38.80978 23.37176 
1 1 1    1  -15    7 o  254.920   14.504  818.518   91.946  831.640  132.665  806.388  127.547  255.768   20.955  251.936   20.450 3.832687 29.28006 
1 1 1    1  -15    8 o  409.892   15.592  2113.26  159.591  2126.41  195.984  2087.38  274.952  410.407   19.123  403.412   27.457 6.994995 33.45977 
1 1 1    1  -15    9 o  255.227   11.663  817.216   74.333  806.034   91.828  838.469  126.602  252.722   14.613  256.625   19.912 -3.902817 24.69839 
1 1 1    1  -15   10 o  513.377   18.564  3336.64  237.996  3477.28  292.220  3059.55  410.163  522.450   22.398  482.645   34.254 39.80429 40.92679 
1 1 1    1  -15   11 o  326.254   24.157  1372.31  195.414  1372.31  195.414   0.0000   0.0000  326.254   24.157  ?   ?  0.000000 24.15715 
1 1 1    1  -15   12 o  229.723   10.125  662.582   58.081  768.740   72.747  475.947   96.457  247.199   11.785  192.068   20.424 55.13124 23.58015 
1 1 1    1  -15   13 o  260.030   11.365  850.981   73.800  917.793   91.712  728.242  124.305  269.232   13.686  237.372   21.193 31.85986 25.22840 
1 1 1    1  -15   14 o  268.545   11.716  908.930   78.571  973.820   97.568  789.210  132.526  277.028   14.151  246.577   21.745 30.45055 25.94442 
1 1 1    1  -15   15 o  116.974   10.113  173.396   29.251  186.945   38.370  154.594   45.199  120.956   12.902  108.842   17.201 12.11378 21.50252 
1 1 1    1  -15   16 o  297.759   15.524  1131.00  115.033  1251.85  167.967  1024.26  157.864  310.164   21.825  279.908   22.783 30.25681 31.54968 
1 1 1    1  -15   17 o  126.896   10.482  204.245   32.918  216.081   43.160  187.785   50.897  129.899   13.503  119.952   17.507 9.946724 22.10935 
1 1 1    1  -15   18 o  138.144   10.120  241.668   34.668  294.254   46.031  172.747   52.697  152.051   12.226  114.411   19.119 37.63961 22.69420 
1 1 1    1  -15   19 o  293.078   12.827  1088.58   93.879  1126.18  117.032  1020.71  157.225  296.547   15.861  278.588   22.800 17.95901 27.77425 
1 1 1    1  -15   20 o  200.924   19.770  527.360   97.911  527.360   97.911   0.0000   0.0000  200.924   19.770  ?   ?  0.000000 19.76999 
1 1 1    1  -15   21 o   53.765   17.595   36.062   27.222   0.0000   0.0000   36.062   27.222  ?   ?    53.765   17.595 0.000000 17.59480 
1 1 1    1  -15   22 o  266.134   16.068  912.297  106.285  912.297  106.285   0.0000   0.0000  266.134   16.068  ?   ?  0.000000 16.06801 
1 1 1    1  -15   23 o   89.250   12.826  103.362   27.765  155.015   42.240   64.069   36.841  108.696   16.044   69.149   20.121 39.54647 25.73470 
1 1 1    1  -15   24 o  236.410   11.550  710.637   68.189  814.383   88.510  559.142  106.955  251.587   14.145  204.466   21.258 47.12097 25.53448 
1 1 1    1  -15   25 o  168.289   11.540  362.861   48.203  394.745   65.478  325.139   71.222  173.963   15.226  156.100   18.640 17.86250 24.06787 
1 1 1    1  -15   26 o  187.604   11.609  452.644   54.121  507.666   72.769  384.537   80.962  196.900   14.910  168.371   19.624 28.52980 24.64577 
1 1 1    1  -15   27 o   35.203   14.451   6.6978   20.345   43.086   39.871  -6.1123   23.656   58.730   21.208   32.746   14.526 25.98451 25.70566 
1 1 1    1  -15   28 o  130.465   23.615  250.617   74.105  250.617   74.105   0.0000   0.0000  130.465   23.615  ?   ?  0.000000 23.61537 
1 1 1    1  -15   29 o  172.039   12.147  389.705   51.849  445.302   72.693  332.128   73.976  180.319   16.320  152.376   19.918 27.94231 25.75022 
1 1 1    1  -15   30 f   64.929   17.669   61.129   29.412   2.6195   51.262   89.843   35.911   48.419   21.435   78.333   18.630 -29.91365 28.39973 
1 1 1    1  -15   31 o   81.128   16.638   94.575   32.576  118.956   56.075   82.155   40.022   84.796   24.867   72.987   20.895 11.80891 32.48034 
1 1 1    1  -15   32 o   66.697   19.622   68.548   34.865   38.449  112.340   71.756   36.676   65.134   29.977   67.919   20.163 -2.784462 36.12743 
1 1 1    1  -15   33 o   98.219   18.213  145.700   43.027  335.213  122.910  119.232   45.933  115.457   37.363   85.514   21.525 29.94285 43.11979 
1 1 1    1  -15   34 o   57.064   19.663   52.197   33.966  -0.0589  121.007   56.666   35.389   57.470   27.775   58.969   20.077 -1.498737 34.27168 
1 1 1    1  -14    0 o  149.790   7.8220  281.183   29.157  129.897   40.199  449.121   42.353  100.466   16.603  189.537   8.9483 -89.07130 18.86081 
1 1 1    1  -14    1 o  811.261   24.355  8295.23  493.395  7684.83  696.893  8908.69  698.642  776.575   35.936  837.273   33.415 -60.69763 49.07085 
1 1 1    1  -14    2 o  589.739   18.077  4365.41  266.211  4360.40  376.218  4370.44  376.741  587.845   25.629  588.520   25.635 -0.6751099 36.24878 
1 1 1    1  -14    3 o  153.226   10.803  295.165   41.072  218.430   53.599  404.309   63.924  130.905   16.783  179.067   14.418 -48.16183 22.12553 
1 1 1    1  -14    4 o  220.033   8.9942  605.339   49.420  568.233   69.079  644.241   70.731  212.621   13.074  226.499   12.554 -13.87843 18.12556 
1 1 1    1  -14    5 o   90.607   9.0382  103.674   20.177   98.561   27.446  109.688   29.765   87.787   12.905   92.653   13.241 -4.866379 18.48939 
1 1 1    1  -14    6 o  118.278   9.4537  176.093   27.689  186.690   34.884  158.046   45.525  121.566   11.633  110.943   16.972 10.62369 20.57601 
1 1 1    1  -14    7 o  377.228   14.728  1785.01  138.742  1780.73  170.342  1793.44  239.138  376.329   18.126  375.521   25.655 0.8082886 31.41220 
1 1 1    1  -14    8 o  219.972   13.944  609.414   76.198  572.829  110.993  642.026  104.793  212.008   21.251  225.029   18.821 -13.02089 28.38745 
1 1 1    1  -14    9 o  443.872   16.340  2478.34  181.116  2618.85  222.522  2202.55  311.747  455.553   19.561  413.678   30.391 41.87534 36.14157 
1 1 1    1  -14   10 o  282.594   11.847  1001.63   83.606  1066.88  103.326  877.904  142.282  291.367   14.201  262.265   21.926 29.10214 26.12326 
1 1 1    1  -14   11 o  439.335   16.301  2434.04  178.836  2581.84  219.822  2144.74  307.546  451.517   19.496  406.370   30.530 45.14685 36.22382 
1 1 1    1  -14   12 o  252.194   11.212  798.508   70.613  862.332   87.675  680.673  119.130  261.422   13.476  230.388   20.935 31.03464 24.89744 
1 1 1    1  -14   13 o   68.084   17.651   60.979   30.260   60.979   30.260   0.0000   0.0000   68.084   17.651  ?   ?  0.000000 17.65126 
1 1 1    1  -14   14 o  137.977   10.019  240.337   34.286  234.261   43.913  249.826   54.874  135.677   13.125  139.528   16.041 -3.851059 20.72606 
1 1 1    1  -14   15 o  273.628   11.743  943.320   80.241  1014.82   99.690  811.766  135.225  283.248   14.094  250.217   21.861 33.03127 26.01047 
1 1 1    1  -14   16 o  174.434   9.9734  383.843   43.263  424.049   55.201  319.821   69.657  182.932   12.153  157.258   18.066 25.67386 21.77332 
1 1 1    1  -14   17 o  283.411   12.334  1014.57   87.292  1072.47  108.547  908.573  146.866  290.209   15.030  263.841   22.506 26.36865 27.06317 
1 1 1    1  -14   18 o  382.695   14.407  1859.35  137.680  2014.37  170.321  1567.06  233.872  396.947   17.182  343.000   27.537 53.94684 32.45763 
1 1 1    1  -14   19 o  428.145   16.266  2340.16  173.914  2468.28  214.548  2094.68  296.988  437.516   19.637  393.483   30.462 44.03314 36.24306 
1 1 1    1  -14   20 o  406.063   15.628  2103.25  158.466  2201.91  195.883  1916.39  269.578  413.411   18.974  377.282   28.831 36.12845 34.51489 
1 1 1    1  -14   21 o  417.775   15.632  2228.74  163.079  2401.35  201.927  1905.01  276.541  431.562   18.737  374.542   29.814 57.02081 35.21294 
1 1 1    1  -14   22 o  228.385   20.859  684.059  117.650  684.059  117.650   0.0000   0.0000  228.385   20.859  ?   ?  0.000000 20.85901 
1 1 1    1  -14   23 o  195.948   11.558  487.800   56.306  511.235   73.341  454.158   87.872  199.528   14.825  186.264   19.165 13.26382 24.23011 
1 1 1    1  -14   24 o  255.910   12.418  832.432   79.360  864.007  101.141  781.849  128.011  258.911   15.718  243.094   21.302 15.81738 26.47320 
1 1 1    1  -14   25 o   83.687   13.628   91.737   27.499  130.122   43.754   66.676   35.354   98.454   18.475   70.204   19.480 28.25005 26.84795 
1 1 1    1  -14   26 o  162.883   14.230  344.223   57.298  472.842  109.984  296.310   67.128  184.922   24.414  149.152   18.414 35.77019 30.57947 
1 1 1    1  -14   27 o  104.235   13.223  142.180   33.645  138.209   51.061  145.227   44.727   99.441   21.209  103.472   17.961 -4.030731 27.79309 
1 1 1    1  -14   28 o   66.490   16.226   60.724   26.703   44.846   45.635   68.992   32.929   60.815   22.569   70.314   18.503 -9.498619 29.18414 
1 1 1    1  -14   29 o  121.437   12.811  194.397   38.262  236.217   57.404  160.963   51.326  130.816   18.053  106.459   20.042 24.35726 26.97407 
1 1 1    1  -14   30 o   76.623   15.549   81.478   28.734   81.779   51.326   81.341   34.678   73.477   24.165   75.155   18.582 -1.678474 30.48381 
1 1 1    1  -14   31 o   75.473   15.926   80.307   29.072  110.202   53.498   67.779   34.631   83.323   24.247   67.758   19.449 15.56416 31.08332 
1 1 1    1  -14   32 o   56.734   17.095   46.363   26.220   22.623   50.543   55.104   30.670   52.476   22.246   61.202   18.500 -8.725903 28.93263 
1 1 1    1  -14   33 o   99.255   17.292  143.300   41.302  347.848  117.096  114.236   44.139  128.804   35.339   85.596   20.844 43.20804 41.02806 
1 1 1    1  -14   34 o   71.699   20.286   82.106   37.951   36.549  123.623   86.846   39.877   64.000   30.113   73.359   20.808 -9.358322 36.60217 
1 1 1    1  -14   35 o  135.107   16.870  272.382   55.676  546.971  139.790  220.612   60.698  149.264   37.540  115.462   21.852 33.80215 43.43632 
1 1 1    1  -13    0 o  412.321   13.227  2128.86  136.188  1933.22  192.121  2326.47  193.079  391.744   19.702  430.508   17.960 -38.76361 26.65944 
1 1 1    1  -13    1 o  505.920   16.097  3209.21  203.370  3142.62  287.346  3276.05  287.871  499.553   23.034  510.129   22.598 -10.57623 32.26820 
1 1 1    1  -13    2 o  320.695   10.920  1286.55   87.451  1027.88  122.985  1551.11  124.375  285.721   17.319  351.900   14.153 -66.17960 22.36641 
1 1 1    1  -13    3 o  166.718   8.3958  348.312   34.842  294.248   48.512  405.909   50.072  152.779   12.835  179.777   11.209 -26.99875 17.04033 
1 1 1    1  -13    4 o  199.796   11.699  501.212   58.117  398.953   78.739  623.592   86.138  177.390   18.025  222.507   15.601 -45.11722 23.83934 
1 1 1    1  -13    5 o  284.499   10.960  1012.61   77.864  934.051  109.570  1092.75  110.671  272.451   16.177  294.902   15.079 -22.45154 22.11479 
1 1 1    1  -13    6 o  211.358   9.1851  558.583   48.479  584.798   68.108  531.663   69.019  215.748   12.698  205.589   13.519 10.15906 18.54719 
1 1 1    1  -13    7 o  224.208   10.930  629.029   61.195  623.357   75.539  639.858  104.379  222.644   13.652  224.887   18.758 -2.242813 23.19990 
1 1 1    1  -13    8 o  338.870   13.853  1439.29  117.229  1397.71  144.007  1520.97  201.845  333.131   17.371  346.349   23.476 -13.21756 29.20404 
1 1 1    1  -13    9 o  279.748   15.975  985.878  111.136  869.280  159.473  1095.98  154.964  260.942   24.770  294.043   21.247 -33.10114 32.63454 
1 1 1    1  -13   10 o  377.816   13.484  1790.70  127.220  1939.69  156.760  1503.27  217.740  392.846   15.980  343.175   25.592 49.67053 30.17114 
1 1 1    1  -13   11 o  308.099   12.911  1191.18   99.332  1214.56  122.456  1146.21  169.853  310.319   15.855  299.805   22.860 10.51416 27.81996 
1 1 1    1  -13   12 f  124.712   9.7550  196.023   30.138  210.372   38.737  174.019   47.971  128.901   12.178  116.274   17.026 12.62779 20.93295 
1 1 1    1  -13   13 o  387.551   14.847  1892.40  143.690  1981.29  176.839  1719.69  246.511  395.741   17.894  364.640   27.269 31.10153 32.61642 
1 1 1    1  -13   14 o  207.020   18.835  548.539   96.306  548.539   96.306   0.0000   0.0000  207.020   18.835  ?   ?  0.000000 18.83511 
1 1 1    1  -13   15 o  369.481   13.961  1723.14  128.809  1849.22  158.914  1481.62  219.938  381.886   16.664  337.084   26.337 44.80219 31.16649 
1 1 1    1  -13   16 o  101.378   9.7598  130.268   24.403  158.141   32.714   95.306   36.639  111.419   11.944   84.992   17.832 26.42747 21.46251 
1 1 1    1  -13   17 o  162.766   10.141  334.405   41.013  354.005   52.498  303.708   65.700  166.987   12.684  153.422   17.459 13.56416 21.58065 
1 1 1    1  -13   18 o  150.215   10.254  285.227   38.234  301.927   49.445  260.392   60.296  154.018   12.977  141.844   17.387 12.17464 21.69543 
1 1 1    1  -13   19 o   88.165   16.348  102.070   34.667 -24.1861   64.964  152.337   40.991   52.990   23.750  108.383   15.594 -55.39365 28.41194 
1 1 1    1  -13   20 o  283.072   22.332  1047.19  156.579   0.0000   0.0000  1047.19  156.579  ?   ?   283.072   22.332 0.000000 22.33193 
1 1 1    1  -13   21 o  113.105   16.240  166.424   44.553  166.424   44.553   0.0000   0.0000  113.105   16.240  ?   ?  0.000000 16.24007 
1 1 1    1  -13   22 o  161.593   10.742  330.836   43.099  371.570   57.361  278.025   65.314  170.581   13.578  145.991   18.319 24.58974 22.80242 
1 1 1    1  -13   23 o  362.586   27.405  1767.40  246.302  1767.40  246.302   0.0000   0.0000  362.586   27.405  ?   ?  0.000000 27.40467 
1 1 1    1  -13   24 o  133.209   11.389  226.087   37.523  248.390   52.064  201.982   54.125  138.605   15.297  123.978   18.009 14.62703 23.62918 
1 1 1    1  -13   25 o  287.120   12.408  1047.35   88.962  1168.66  112.993  849.529  144.295  302.105   14.978  252.391   23.152 49.71407 27.57459 
1 1 1    1  -13   26 o  226.557   11.768  654.120   66.351  718.290   86.526  562.529  103.373  236.099   14.750  205.913   20.371 30.18599 25.14996 
1 1 1    1  -13   27 o  100.725   15.442  134.026   37.602  244.255   92.138  111.999   41.188  129.510   29.188   90.772   18.790 38.73790 34.71329 
1 1 1    1  -13   28 o   88.877   12.899  103.604   27.791  191.405   47.153   56.870   34.402  119.993   16.146   64.663   19.603 55.33015 25.39661 
1 1 1    1  -13   29 o   85.972   14.057   98.577   29.136  118.911   48.899   87.384   36.279   91.175   21.776   79.142   18.660 12.03232 28.67784 
1 1 1    1  -13   30 o   64.953   15.721   58.318   25.225   78.678   45.068   49.031   30.439   73.489   22.472   59.543   18.512 13.94619 29.11457 
1 1 1    1  -13   31 o   48.914   21.110   8.5079   47.022   8.5079   47.022   0.0000   0.0000   48.914   21.110  ?   ?  0.000000 21.10967 
1 1 1    1  -13   32 o   29.191   12.898  -3.5953   18.475 -34.2481   44.704   2.7190   20.289   38.494   18.111   32.995   14.045 5.498562 22.91818 
1 1 1    1  -13   33 o  151.513   11.893  305.196   44.638  440.972   69.178  208.336   58.429  178.438   15.684  118.215   20.538 60.22339 25.84203 
1 1 1    1  -13   34 o   47.176   17.209   29.003   26.348  118.146  111.899   23.771   27.111   77.434   32.972   44.951   17.236 32.48257 37.20553 
1 1 1    1  -13   35 o   43.125   17.180   20.094   27.794   51.469  118.619   18.271   28.590   65.469   30.369   42.690   17.278 22.77954 34.93953 
1 1 1    1  -13   36 o  122.812   18.419  231.557   54.746  290.017  140.240  221.046   59.464   92.634   37.973  116.574   21.208 -23.93909 43.49430 
1 1 1    1  -12    0 o  225.683   13.170  640.154   73.899  687.026  104.900  593.972  104.124  233.164   18.159  216.489   19.469 16.67464 26.62306 
1 1 1    1  -12    1 o  135.249   11.396  230.535   38.131  211.723   54.564  248.492   53.309  128.724   17.422  139.930   15.517 -11.20601 23.33047 
1 1 1    1  -12    2 o  293.180   10.798  1075.32   79.052  1088.32  111.596  1062.21  111.998  294.273   15.238  290.681   15.485 3.592499 21.72542 
1 1 1    1  -12    3 o  564.531   17.553  3999.01  247.456  3818.00  349.587  4180.78  350.325  550.107   25.448  575.899   24.360 -25.79205 35.22799 
1 1 1    1  -12    4 o  211.840   9.5042  561.121   50.278  459.649   70.561  665.774   71.658  190.957   14.916  230.293   12.507 -39.33618 19.46559 
1 1 1    1  -12    5 o  279.099   10.320  974.232   71.925  976.719  101.537  971.728  101.898  278.839   14.633  278.114   14.725 0.7257690 20.75919 
1 1 1    1  -12    6 o  311.785   14.376  1217.76  111.931  965.386  155.156  1491.63  161.631  276.017   22.712  344.151   18.879 -68.13400 29.53410 
1 1 1    1  -12    7 o  343.469   13.975  1477.72  119.860  1459.01  147.134  1514.65  206.664  340.554   17.359  345.828   24.081 -5.273926 29.68533 
1 1 1    1  -12    8 o  206.899   11.180  537.208   57.550  481.721   71.073  642.867   98.075  195.510   14.664  225.632   17.544 -30.12204 22.86567 
1 1 1    1  -12    9 o  778.827   27.159  7679.21  528.204  8050.10  647.638  6942.37  912.841  794.996   32.622  726.765   50.614 68.23102 60.21618 
1 1 1    1  -12   10 o  240.505   10.684  723.953   64.165  775.728   79.552  627.562  108.547  248.492   12.864  222.424   19.748 26.06866 23.56845 
1 1 1    1  -12   11 o  124.555   12.537  196.392   38.466  187.471   61.385  202.160   49.358  120.151   21.236  125.847   16.073 -5.696335 26.63265 
1 1 1    1  -12   12 o  362.469   14.224  1649.88  128.746  1726.44  158.456  1501.16  220.851  370.306   17.136  342.532   26.014 27.77414 31.15038 
1 1 1    1  -12   13 o  100.730   10.074  128.374   25.000  121.092   32.579  138.803   38.988   97.221   13.807  103.909   15.499 -6.688248 20.75725 
1 1 1    1  -12   14 o  613.231   21.817  4783.19  334.092  5030.59  410.036  4294.54  576.258  626.342   26.216  566.872   40.984 59.47076 48.65161 
1 1 1    1  -12   15 o  297.834   13.313  1116.67   99.012  1055.23  122.097  1234.67  169.211  288.295   17.035  310.277   21.981 -21.98178 27.80946 
1 1 1    1  -12   16 o  142.273   17.263  260.354   60.075  260.354   60.075   0.0000   0.0000  142.273   17.263  ?   ?  0.000000 17.26258 
1 1 1    1  -12   17 o   31.837   11.977   9.3705   12.939   6.1255   20.130   11.655   16.891   35.443   14.441   35.996   13.652 -0.5530624 19.87269 
1 1 1    1  -12   18 o  283.818   12.187  1015.84   86.376  1059.80  107.349  935.115  145.467  288.809   14.936  268.565   21.881 20.24472 26.49208 
1 1 1    1  -12   19 o   81.175   11.319   84.590   22.321   98.523   31.710   70.905   31.425   86.910   15.162   73.132   17.451 13.77867 23.11744 
1 1 1    1  -12   20 o  279.273   14.846  992.873  103.167  1150.39  153.294  862.464  139.481  298.032   20.726  257.309   21.916 40.72339 30.16471 
1 1 1    1  -12   21 o  104.641   10.472  139.260   26.998  187.137   38.202   91.489   38.160  120.974   12.842   82.850   18.867 38.12405 22.82244 
1 1 1    1  -12   22 o   70.248   12.508   64.224   21.137  137.521   32.647   11.326   27.734  103.460   12.918   42.506   17.082 60.95478 21.41684 
1 1 1    1  -12   23 o  275.249   12.276  958.492   84.376  1017.62  106.239  857.473  138.857  282.279   15.127  255.877   21.944 26.40115 26.65204 
1 1 1    1  -12   24 o  331.685   25.681  1465.28  211.050  1465.28  211.050   0.0000   0.0000  331.685   25.681  ?   ?  0.000000 25.68071 
1 1 1    1  -12   25 o  187.609   11.117  446.425   51.852  501.663   68.809  373.837   78.878  198.036   14.004  169.043   19.016 28.99345 23.61610 
1 1 1    1  -12   26 o  116.773   11.617  174.441   33.427  215.304   49.610  140.467   45.237  128.665   15.771  102.788   18.294 25.87760 24.15358 
1 1 1    1  -12   27 o  132.231   11.951  224.023   39.038  233.174   55.991  215.367   54.456  133.162   17.243  127.796   17.525 5.365845 24.58574 
1 1 1    1  -12   28 o   25.977   11.603  -6.0321   15.367 -68.5017   36.415   7.5036   16.951   29.657   14.532   33.477   13.390 -3.819387 19.76015 
1 1 1    1  -12   29 o   89.961   13.334  106.399   29.048  122.875   47.107   96.291   36.898   93.970   20.639   83.854   18.148 10.11579 27.48298 
1 1 1    1  -12   30 o  153.082   11.219  302.386   42.589  394.804   61.499  217.225   59.036  173.325   14.338  125.538   19.462 47.78757 24.17278 
1 1 1    1  -12   31 o   50.732   15.720   34.577   21.971   71.754   43.745   22.036   25.408   70.586   22.232   44.853   16.801 25.73367 27.86694 
1 1 1    1  -12   32 o   64.351   24.491   54.715   54.482   54.715   54.482   0.0000   0.0000   64.351   24.491  ?   ?  0.000000 24.49122 
1 1 1    1  -12   33 o   82.033   14.781   92.890   29.165  155.087   53.249   66.236   34.859  101.728   21.627   67.137   19.583 34.59052 29.17567 
1 1 1    1  -12   34 o   84.720   15.588  100.842   31.763  127.934   57.781   89.110   38.023   88.483   25.029   77.120   19.679 11.36257 31.83898 
1 1 1    1  -12   35 o  110.883   16.783  176.261   45.017  324.227  125.391  154.368   48.233  119.292   37.648  101.170   19.800 18.12279 42.53710 
1 1 1    1  -12   36 o   23.562   11.267 -22.2407   18.721 -173.8016  116.438 -18.2189   18.968   47.279   23.644   24.745   11.689 22.53386 26.37537 
1 1 1    1  -11    0 o   17.004   6.9360   1.2771   4.6501  -0.1757   5.8158   3.8519   7.7428   17.602   7.5066   23.251   9.1289 -5.649122 11.81890 
1 1 1    1  -11    1 o   88.609   7.5732   98.870   16.597  107.383   23.166   89.892   23.789   92.069   10.250   83.931   11.666 8.138420 15.52883 
1 1 1    1  -11    2 o  192.425   12.413  465.601   59.328  469.072   84.522  462.230   83.296  192.435   17.790  191.035   17.661 1.400299 25.06761 
1 1 1    1  -11    3 o  221.411   8.6737  612.911   47.957  594.172   67.535  631.973   68.112  217.490   12.487  224.353   12.203 -6.862640 17.46004 
1 1 1    1  -11    4 o  639.288   19.143  5133.88  305.605  4918.02  431.809  5350.51  432.573  623.639   27.727  650.804   26.617 -27.16522 38.43523 
1 1 1    1  -11    5 o  230.477   9.8107  664.260   56.465  557.291   79.425  773.568   80.289  210.336   15.224  248.238   12.997 -37.90211 20.01773 
1 1 1    1  -11    6 o  660.775   20.469  5487.29  337.762  5493.31  477.568  5481.26  477.767  658.979   29.021  658.243   29.066 0.7365112 41.07346 
1 1 1    1  -11    7 o  627.741   40.411  5064.75  630.118  5064.75  630.118   0.0000   0.0000  627.741   40.411  ?   ?  0.000000 40.41146 
1 1 1    1  -11    8 o  308.514   13.001  1191.64  100.165  1220.34  123.128  1135.47  172.237  311.602   15.876  299.397   23.219 12.20496 28.12762 
1 1 1    1  -11    9 o  368.996   14.570  1706.12  134.258  1747.19  164.911  1625.38  231.207  373.096   17.700  357.851   26.052 15.24490 31.49600 
1 1 1    1  -11   10 o  205.686   11.306  531.050   57.847  482.761   71.516  622.431   98.380  195.700   14.742  221.921   17.905 -26.22137 23.19295 
1 1 1    1  -11   11 o  384.845   14.311  1856.85  137.534  1976.75  169.211  1623.43  236.092  396.732   17.080  357.090   26.668 39.64130 31.66892 
1 1 1    1  -11   12 o  323.263   16.496  1316.32  132.721  1357.69  190.338  1277.17  185.161  326.869   23.475  316.959   23.562 9.910767 33.26012 
1 1 1    1  -11   13 o  375.380   14.593  1769.56  136.797  1793.19  168.254  1723.48  234.963  377.339   17.856  367.378   25.775 9.960846 31.35552 
1 1 1    1  -11   14 o  437.246   15.922  2406.46  173.853  2578.08  213.870  2072.12  298.507  451.811   18.956  400.601   30.059 51.21011 35.53646 
1 1 1    1  -11   15 o  157.285   9.3227  310.975   36.453  362.996   46.646  229.360   58.427  169.758   11.064  133.567   17.973 36.19173 21.10581 
1 1 1    1  -11   16 o  314.068   12.486  1240.19   97.928  1337.55  121.191  1057.02  166.231  325.684   14.901  286.571   23.434 39.11276 27.77047 
1 1 1    1  -11   17 o  231.287   19.894  686.424  113.781  686.424  113.781   0.0000   0.0000  231.287   19.894  ?   ?  0.000000 19.89366 
1 1 1    1  -11   18 o  203.273   10.381  520.558   52.521  560.488   66.355  453.579   85.939  210.494   12.683  187.819   18.566 22.67461 22.48467 
1 1 1    1  -11   19 o  300.184   22.953  1170.08  170.754   0.0000   0.0000  1170.08  170.754  ?   ?   300.184   22.953 0.000000 22.95290 
1 1 1    1  -11   20 o  250.783   14.988  800.396   93.435  800.396   93.435   0.0000   0.0000  250.783   14.988  ?   ?  0.000000 14.98833 
1 1 1    1  -11   21 o  216.750   10.548  591.468   57.095  657.234   72.650  485.245   92.331  227.687   12.830  193.566   19.361 34.12061 23.22632 
1 1 1    1  -11   22 o  304.118   14.403  1173.55  109.379  1505.48  163.403  904.081  147.230  341.834   19.220  263.007   22.638 78.82697 29.69650 
1 1 1    1  -11   23 o  281.724   11.745  1002.14   82.629  1118.69  104.028  802.930  136.007  296.950   14.029  247.772   22.218 49.17783 26.27591 
1 1 1    1  -11   24 o  227.385   11.214  652.537   63.673  707.730   81.895  568.177  101.246  235.719   13.975  209.066   19.623 26.65372 24.09047 
1 1 1    1  -11   25 o   96.611   11.434  119.515   27.050  177.333   41.514   76.852   35.660  117.218   14.491   75.775   18.907 41.44351 23.82130 
1 1 1    1  -11   26 o   68.144   21.836   59.923   42.061   59.923   42.061   0.0000   0.0000   68.144   21.836  ?   ?  0.000000 21.83643 
1 1 1    1  -11   27 o  211.150   11.201  565.859   58.851  642.809   77.611  461.754   90.272  224.116   13.937  187.520   19.566 36.59532 24.02188 
1 1 1    1  -11   28 o  165.122   11.335  347.539   46.456  385.257   63.653  304.549   67.955  172.644   14.911  152.038   18.264 20.60620 23.57756 
1 1 1    1  -11   29 o  122.337   11.337  192.070   34.241  263.220   51.958  137.448   45.525  142.117   14.860  100.843   18.769 41.27335 23.93928 
1 1 1    1  -11   30 o  125.017   14.990  205.783   45.863  251.931  101.092  193.822   51.464  128.352   31.722  120.095   17.690 8.256454 36.32144 
1 1 1    1  -11   31 o   44.784   15.273   24.824   20.479   25.193   42.920   24.716   23.303   53.302   21.311   45.688   16.245 7.614265 26.79671 
1 1 1    1  -11   32 o   69.940   15.310   67.169   25.997  100.141   47.969   53.457   30.934   82.472   22.615   61.889   18.550 20.58214 29.24970 
1 1 1    1  -11   33 o   86.268   24.438  114.674   55.043  114.674   55.043   0.0000   0.0000   86.268   24.438  ?   ?  0.000000 24.43829 
1 1 1    1  -11   34 f   43.925   15.890   23.440   22.397   25.398   50.382   22.957   25.003   54.067   22.518   44.594   16.675 9.473507 28.01927 
1 1 1    1  -11   35 o   50.192   16.833   34.467   24.873   23.602   55.125   37.245   27.871   54.307   23.134   52.075   17.817 2.232430 29.19990 
1 1 1    1  -11   36 o  102.177   14.632  145.432   36.269  209.701   65.930  117.543   43.431  114.092   23.906   87.626   20.254 26.46640 31.33209 
1 1 1    1  -11   37 o   51.051   18.198   37.048   29.259 -51.3558  123.925   42.267   30.111   56.702   27.568   53.624   18.511 3.077591 33.20660 
1 1 1    1  -10    0 o   35.760   9.0405   16.629   8.0776   19.282   10.969   13.485   11.939   38.713   10.890   34.220   11.662 4.492294 15.95547 
1 1 1    1  -10    1 o  204.900   8.8280  525.346   45.171  523.908   63.725  526.799   64.037  204.012   12.570  204.572   12.597 -0.5606232 17.79529 
1 1 1    1  -10    2 o  123.220   7.9193  190.649   24.239  191.527   34.102  189.752   34.459  123.159   11.211  122.559   11.389 0.5994110 15.98137 
1 1 1    1  -10    3 o   99.055   7.5175  123.363   18.456  114.790   25.803  132.345   26.410   95.120   11.070  102.301   10.486 -7.181030 15.24811 
1 1 1    1  -10    4 o  290.750   15.374  1063.12  111.230  1068.10  158.050  1058.23  156.566  290.361   21.960  289.028   21.854 1.332703 30.98106 
1 1 1    1  -10    5 o  354.217   12.406  1570.74  109.736  1578.95  155.116  1562.53  155.264  354.677   17.513  352.816   17.623 1.860901 24.84508 
1 1 1    1  -10    6 f  428.117   13.900  2295.58  148.602  2244.88  209.981  2346.45  210.328  422.678   19.894  432.189   19.488 -9.510742 27.84888 
1 1 1    1  -10    7 o  666.149   23.147  5586.71  385.053  5911.82  472.171  4941.25  665.302  684.059   27.641  618.758   43.331 65.30035 51.39640 
1 1 1    1  -10    8 o  292.489   11.152  1070.21   81.451  1238.44  100.404  746.366  139.300  314.546   12.782  242.396   23.300 72.15015 26.57615 
1 1 1    1  -10    9 o  814.459   52.067  8662.90  1053.43  8662.90  1053.43   0.0000   0.0000  814.459   52.067  ?   ?  0.000000 52.06709 
1 1 1    1  -10   10 o  362.086   14.443  1642.54  130.596  1655.06  160.388  1617.91  224.967  363.156   17.686  357.229   25.384 5.927032 30.93750 
1 1 1    1  -10   11 o  753.335   26.504  7172.80  498.598  7524.35  611.339  6474.38  861.670  769.524   31.813  703.789   49.340 65.73523 58.70749 
1 1 1    1  -10   12 o  440.376   16.621  2434.33  182.781  2482.91  224.409  2338.58  315.047  444.181   20.232  428.186   29.646 15.99438 35.89193 
1 1 1    1  -10   13 o  406.878   15.979  2078.76  162.355  2037.69  199.402  2159.55  279.646  402.222   19.852  411.612   27.362 -9.389709 33.80545 
1 1 1    1  -10   14 o  298.630   15.580  1123.56  115.781  1191.88  168.052  1061.82  159.742  306.241   22.124  288.914   22.314 17.32666 31.42274 
1 1 1    1  -10   15 o  206.493   9.9637  534.028   51.378  601.502   64.742  419.255   84.438  218.688   11.900  181.288   18.931 37.39925 22.36038 
1 1 1    1  -10   16 o  353.415   14.702  1571.91  129.753  1507.99  159.710  1696.01  222.534  344.854   18.615  363.740   24.645 -18.88510 30.88493 
1 1 1    1  -10   17 o  105.897   10.541  142.071   27.504  136.651   36.486  149.205   41.859  103.149   14.570  107.568   16.076 -4.418816 21.69662 
1 1 1    1  -10   18 o  191.314   18.661  469.294   88.016  469.294   88.016   0.0000   0.0000  191.314   18.661  ?   ?  0.000000 18.66079 
1 1 1    1  -10   19 o  154.867   11.086  303.117   42.590  247.065   54.559  390.558   68.145  138.747   16.043  174.916   15.771 -36.16843 22.49615 
1 1 1    1  -10   20 o  209.878   10.850  555.607   56.669  576.292   71.726  521.245   92.444  213.167   13.545  201.290   18.601 11.87712 23.01010 
1 1 1    1  -10   21 o  125.057   10.623  198.173   32.860  201.030   43.952  194.552   49.478  125.227   14.312  122.622   16.584 2.605156 21.90569 
1 1 1    1  -10   22 o  159.935   10.093  323.004   40.104  370.409   53.351  261.421   60.809  170.803   12.597  142.119   17.504 28.68365 21.56590 
1 1 1    1  -10   23 o  147.841   13.331  278.761   48.686  346.100   90.135  251.022   57.851  161.859   22.942  139.301   16.982 22.55844 28.54366 
1 1 1    1  -10   24 o  135.915   12.606  235.493   42.298  190.180   62.399  274.015   57.533  119.529   21.705  145.820   16.066 -26.29163 27.00402 
1 1 1    1  -10   25 o  100.808   12.609  130.495   31.048  141.686   48.588  122.772   40.364  103.318   19.548   96.573   17.376 6.745087 26.15480 
1 1 1    1  -10   26 o  217.163   11.469  597.371   61.978  633.714   80.278  543.747   97.515  222.749   14.511  204.471   19.327 18.27747 24.16863 
1 1 1    1  -10   27 o  157.788   19.830  327.108   76.409  327.108   76.409   0.0000   0.0000  157.788   19.830  ?   ?  0.000000 19.82981 
1 1 1    1  -10   28 o  205.650   11.003  536.467   56.300  632.944   75.164  413.157   84.976  222.535   13.591  177.338   19.511 45.19711 23.77825 
1 1 1    1  -10   29 o  108.167   12.394  150.752   32.873  171.252   50.643  135.825   43.215  113.390   18.525  100.969   17.790 12.42142 25.68341 
1 1 1    1  -10   30 o  202.287   11.657  523.210   58.637  571.920   78.505  461.745   88.186  209.900   15.078  186.261   19.237 23.63927 24.44145 
1 1 1    1  -10   31 o  103.632   15.203  142.410   38.174  263.842   99.142  121.273   41.363  132.212   30.629   94.317   18.222 37.89488 35.63963 
1 1 1    1  -10   32 o   53.461   16.023   38.411   23.080   9.8241   43.531   49.590   27.221   48.885   20.680   60.166   17.235 -11.28098 26.92004 
1 1 1    1  -10   33 o   82.443   14.557   91.963   28.875  113.136   50.782   81.847   35.101   87.474   22.958   76.046   18.631 11.42761 29.56620 
1 1 1    1  -10   34 o   31.473   13.492   0.9102   18.963   8.4409   46.222  -0.6139   20.794   48.665   20.966   32.251   13.978 16.41437 25.19826 
1 1 1    1  -10   35 o  149.840   26.260  353.149   94.678  353.149   94.678   0.0000   0.0000  149.840   26.260  ?   ?  0.000000 26.26019 
1 1 1    1  -10   36 o  172.567   12.245  396.134   52.425  541.458   80.428  288.773   69.129  197.139   16.489  139.968   20.376 57.17085 26.21198 
1 1 1    1  -10   37 o   97.254   15.540  133.585   36.469  165.000   68.469  121.142   43.090   97.053   27.173   89.359   19.828 7.693115 33.63870 
1 1 1    1  -10   38 o   37.517   15.707   9.2381   24.695   91.306  128.281   6.0797   25.166   70.867   32.400   36.598   15.611 34.26907 35.96484 
1 1 1    1   -9    0 o  143.132   8.0855  257.167   28.782  261.456   40.554  252.814   40.854  143.954   11.374  141.500   11.666 2.453232 16.29294 
1 1 1    1   -9    1 f  174.226   8.3532  379.871   36.343  392.111   51.288  367.527   51.506  176.435   11.707  170.730   12.160 5.705139 16.87995 
1 1 1    1   -9    2 o   93.517   7.2511  110.028   16.801  108.226   23.588  111.884   23.937   92.367   10.408   93.939   10.377 -1.571350 14.69723 
1 1 1    1   -9    3 o  278.627   10.593  972.339   73.705  979.851  104.176  964.811  104.294  278.867   15.015  276.691   15.152 2.176849 21.33135 
1 1 1    1   -9    4 o  465.283   15.034  2717.59  174.685  2690.63  246.945  2744.60  247.139  461.699   21.419  466.352   21.222 -4.653168 30.15141 
1 1 1    1   -9    5 o  668.058   29.658  5671.34  494.776  5801.68  700.354  5541.48  699.085  668.593   42.163  652.799   43.127 15.79358 60.31352 
1 1 1    1   -9    6 o  252.990   9.8364  800.522   62.143  789.317   87.756  811.793   88.011  250.595   14.080  254.169   13.919 -3.573532 19.79917 
1 1 1    1   -9    7 f  533.891   17.060  3575.86  227.448  3656.04  321.689  3495.70  321.632  538.618   23.917  526.563   24.460 12.05475 34.20980 
1 1 1    1   -9    8 f  160.555   9.7719  323.524   38.992  304.202   48.167  360.261   66.417  155.401   12.518  168.789   15.946 -13.38853 20.27286 
1 1 1    1   -9    9 o  368.505   14.897  1701.23  137.082  1637.12  168.089  1828.56  236.872  360.666   18.728  380.074   25.098 -19.40793 31.31539 
1 1 1    1   -9   10 o  100.691   15.773  130.102   38.359  130.102   38.359   0.0000   0.0000  100.691   15.773  ?   ?  0.000000 15.77327 
1 1 1    1   -9   11 o  635.149   21.027  5072.34  333.507  5572.58  409.574  4087.99  574.539  664.860   24.669  563.303   41.128 101.5576 47.95920 
1 1 1    1   -9   12 o  387.251   15.193  1879.77  146.920  1901.67  180.461  1836.73  253.015  389.125   18.571  380.316   26.813 8.808289 32.61623 
1 1 1    1   -9   13 o  711.979   25.293  6405.33  449.703  6638.96  551.426  5941.38  777.067  722.881   30.547  674.910   46.388 47.97125 55.54260 
1 1 1    1   -9   14 f  306.141   12.995  1174.47   99.345  1189.94  122.535  1144.81  169.703  307.449   16.016  300.284   22.801 7.165649 27.86406 
1 1 1    1   -9   15 o  177.895   12.516  398.658   55.247  439.712   84.975  368.599   72.712  185.946   18.547  170.303   17.339 15.64336 25.39022 
1 1 1    1   -9   16 o   89.113   10.159  100.743   22.203  111.648   30.147   87.815   32.824   93.389   13.303   82.074   16.586 11.31499 21.26147 
1 1 1    1   -9   17 o  460.169   16.945  2671.39  194.718  2797.49  239.473  2425.35  334.506  469.818   20.412  432.191   31.204 37.62637 37.28685 
1 1 1    1   -9   18 o  182.249   17.618  424.006   79.182   0.0000   0.0000  424.006   79.182  ?   ?   182.249   17.618 0.000000 17.61826 
1 1 1    1   -9   19 o  272.617   15.043  941.312  102.011  941.312  102.011   0.0000   0.0000  272.617   15.043  ?   ?  0.000000 15.04285 
1 1 1    1   -9   20 o   99.543   18.401  129.923   44.057  129.923   44.057   0.0000   0.0000   99.543   18.401  ?   ?  0.000000 18.40142 
1 1 1    1   -9   21 o  126.440   9.7695  201.997   30.607  234.237   41.217  162.362   45.700  135.780   12.289  111.845   16.889 23.93430 20.88644 
1 1 1    1   -9   22 o  157.084   10.360  311.655   40.412  321.828   52.694  297.126   62.974  159.040   13.393  151.921   16.885 7.118378 21.55149 
1 1 1    1   -9   23 o  270.273   11.813  921.183   79.731  977.823  100.088  822.815  131.900  277.404   14.499  251.898   21.165 25.50665 25.65457 
1 1 1    1   -9   24 o  470.057   20.468  2845.48  240.255  3332.36  346.236  2393.32  333.657  501.700   27.744  421.034   31.973 80.66589 42.33220 
1 1 1    1   -9   25 o  260.678   10.737  856.109   69.896  1017.70   89.641  605.489  111.636  283.724   12.652  215.610   21.001 68.11406 24.51738 
1 1 1    1   -9   26 o  294.910   11.885  1098.58   87.526  1222.43  111.589  900.552  141.101  310.254   14.403  262.714   21.702 47.53949 26.04666 
1 1 1    1   -9   27 o  128.519   10.908  209.841   34.678  260.381   50.064  163.222   48.082  142.464   14.264  111.501   17.872 30.96326 22.86635 
1 1 1    1   -9   28 o  104.518   21.923  147.452   55.394  147.452   55.394   0.0000   0.0000  104.518   21.923  ?   ?  0.000000 21.92333 
1 1 1    1   -9   29 o   38.710   14.487   14.601   18.881 -19.2851   37.089   26.454   21.936   38.923   17.650   46.841   15.808 -7.918499 23.69390 
1 1 1    1   -9   30 o   49.981   15.401   32.223   21.122   39.724   40.901   29.494   24.666   59.085   21.458   49.325   16.762 9.760170 27.22907 
1 1 1    1   -9   31 o   51.612   15.772   34.810   22.206   17.235   42.297   41.498   26.090   51.327   20.926   56.104   17.086 -4.776775 27.01519 
1 1 1    1   -9   32 o  156.048   11.188  312.713   43.309  452.119   66.136  208.047   57.306  186.220   14.332  123.710   19.170 62.51055 23.93556 
1 1 1    1   -9   33 o   93.692   13.598  116.295   30.885  155.432   53.044   96.223   37.989  104.959   20.972   83.052   18.760 21.90613 28.13788 
1 1 1    1   -9   34 o   50.748   16.264   34.296   23.332   26.146   48.626   36.733   26.593   54.948   22.423   52.651   17.398 2.296566 28.38137 
1 1 1    1   -9   35 o  138.945   12.614  254.973   43.290  302.715   67.401  221.452   56.478  146.878   18.808  125.564   18.572 21.31352 26.43280 
1 1 1    1   -9   36 o  110.800   28.964  205.964   81.039  205.964   81.039   0.0000   0.0000  110.800   28.964  ?   ?  0.000000 28.96421 
1 1 1    1   -9   37 o   69.860   16.829   70.268   29.012  110.019   61.286   58.787   32.936   81.226   26.391   63.146   19.189 18.07983 32.63027 
1 1 1    1   -9   38 f  108.361   15.268  164.763   40.169  201.849   73.217  148.794   48.046  107.944   27.179   99.052   20.111 8.892372 33.81046 
1 1 1    1   -9   39 o  140.495   19.839  301.972   67.666   0.0000   0.0000  301.972   67.666  ?   ?   140.495   19.839 0.000000 19.83868 
1 1 1    1   -8    0 o  205.617   8.9418  529.161   45.913  517.041   64.816  541.366   65.045  202.582   12.879  207.347   12.622 -4.765137 18.03327 
1 1 1    1   -8    1 o  347.470   17.338  1522.05  150.437  1591.28  212.528  1452.53  212.973  352.886   24.265  336.667   25.522 16.21918 35.21586 
1 1 1    1   -8    2 o  158.740   8.1502  316.146   32.199  320.025   45.438  312.234   45.634  159.338   11.497  157.350   11.697 1.988281 16.40136 
1 1 1    1   -8    3 o  538.106   17.255  3650.37  231.859  3594.27  327.786  3706.55  328.011  531.289   24.706  539.679   24.339 -8.389221 34.68128 
1 1 1    1   -8    4 o  327.138   11.413  1341.47   93.234  1334.06  131.783  1348.89  131.921  325.589   16.208  327.405   16.135 -1.815460 22.87056 
1 1 1    1   -8    5 o  180.333   8.2486  406.758   37.145  402.633   52.463  410.905   52.600  178.864   11.812  180.712   11.719 -1.847519 16.63942 
1 1 1    1   -8    6 o  318.695   10.987  1271.47   87.440  1270.87  123.617  1272.07  123.702  318.203   15.557  318.353   15.560 -0.1494446 22.00312 
1 1 1    1   -8    7 f  203.862   12.357  522.256   62.612  567.944   89.682  478.812   87.452  212.035   17.082  194.399   18.227 17.63661 24.98096 
1 1 1    1   -8    8 o  102.480   8.8751  132.281   22.488  126.638   28.053  142.427   37.617   99.953   11.446  105.619   14.657 -5.665756 18.59674 
1 1 1    1   -8    9 o  534.383   19.270  3585.92  257.145  3670.84  315.294  3417.22  444.384  539.949   23.384  517.313   34.599 22.63641 41.75999 
1 1 1    1   -8   10 o  154.066   10.362  298.183   39.634  253.398   48.977  383.161   67.466  141.561   14.040  174.160   15.681 -32.59871 21.04766 
1 1 1    1   -8   11 o  306.167   12.220  1173.03   93.428  1306.67  115.066  914.470  160.053  323.006   14.265  268.402   24.138 54.60394 28.03804 
1 1 1    1   -8   12 o  535.452   34.990  3662.56  465.286  3662.56  465.286   0.0000   0.0000  535.452   34.990  ?   ?  0.000000 34.98999 
1 1 1    1   -8   13 o  582.519   21.031  4268.01  305.927  4410.91  375.217  3984.62  528.381  591.198   25.416  556.972   38.221 34.22644 45.89960 
1 1 1    1   -8   14 o  437.736   16.096  2403.88  175.949  2559.55  216.274  2099.18  302.579  451.235   19.193  405.601   30.088 45.63388 35.68873 
1 1 1    1   -8   15 o  149.331   9.5658  280.111   35.484  301.496   45.260  246.001   57.162  154.717   11.804  138.953   16.816 15.76390 20.54502 
1 1 1    1   -8   16 o  254.424   11.638  811.000   73.939  819.454   91.749  795.339  124.883  255.108   14.462  250.322   20.149 4.785751 24.80139 
1 1 1    1   -8   17 o  376.685   18.478  1789.85  173.813  1812.02  249.234  1768.86  242.521  376.050   26.714  371.668   26.300 4.381500 37.48807 
1 1 1    1   -8   18 o  378.079   18.261  1806.17  172.409  1806.17  172.409   0.0000   0.0000  378.079   18.261  ?   ?  0.000000 18.26106 
1 1 1    1   -8   19 o  208.807   10.270  546.856   53.551  598.075   67.611  460.632   87.723  217.782   12.484  189.762   18.758 28.02010 22.53220 
1 1 1    1   -8   20 o  512.550   18.958  3339.43  242.648  3431.14  298.157  3159.57  417.562  517.331   23.079  487.644   34.513 29.68799 41.51873 
1 1 1    1   -8   21 o   99.548   18.270  129.848   43.743  129.848   43.743   0.0000   0.0000   99.548   18.270  ?   ?  0.000000 18.26974 
1 1 1    1   -8   22 f  101.443   11.188  131.027   27.869  104.940   37.762  162.235   41.302   89.343   17.551  112.223   15.123 -22.87952 23.16813 
1 1 1    1   -8   23 o   60.994   12.911   48.709   19.052   39.696   28.885   55.650   25.347   56.379   18.099   64.950   15.783 -8.571098 24.01388 
1 1 1    1   -8   24 o  180.645   10.808  412.233   48.532  405.711   62.687  421.992   76.677  178.460   14.183  181.214   17.148 -2.754730 22.25363 
1 1 1    1   -8   25 o   99.571   11.371  126.542   27.767  118.735   39.790  133.953   38.768   95.064   17.403  101.514   15.808 -6.450272 23.51033 
1 1 1    1   -8   26 o  256.873   14.042  838.721   89.734  1047.10  140.158  693.972  116.814  284.688   19.839  231.258   20.438 53.43079 28.48337 
1 1 1    1   -8   27 o  197.592   11.011  493.771   54.117  524.946   71.181  451.067   83.309  202.934   14.134  186.798   18.086 16.13586 22.95383 
1 1 1    1   -8   28 o  287.739   12.537  1047.89   90.085  1124.08  114.808  925.837  145.317  296.558   15.557  265.924   22.083 30.63358 27.01246 
1 1 1    1   -8   29 o  162.751   10.934  335.953   44.179  426.143   63.161  249.558   61.818  182.548   13.961  138.074   18.386 44.47427 23.08590 
1 1 1    1   -8   30 o   44.159   19.301  -5.8928   40.352  -5.8928   40.352   0.0000   0.0000   44.159   19.301  ?   ?  0.000000 19.30074 
1 1 1    1   -8   31 o   83.683   13.558   91.636   27.364  126.902   46.741   73.247   33.753   96.743   20.008   73.588   18.413 23.15479 27.19083 
1 1 1    1   -8   32 o  193.988   11.377  481.019   54.871  568.220   75.313  382.360   80.107  209.427   14.490  169.179   19.307 40.24744 24.13981 
1 1 1    1   -8   33 f  122.713   12.019  194.928   36.359  264.243   57.477  148.688   46.945  140.941   16.653  104.378   18.697 36.56326 25.03795 
1 1 1    1   -8   34 o   57.368   16.982   44.811   26.044   56.486   96.818   43.900   27.041   74.791   31.187   56.925   17.407 17.86511 35.71581 
1 1 1    1   -8   35 o  142.393   12.237  265.362   43.090  337.520   66.718  213.721   56.441  157.325   17.266  123.883   18.838 33.44199 25.55364 
1 1 1    1   -8   36 o  113.360   12.997  170.869   36.127  244.748   61.642  132.215   44.587  131.501   19.350   96.146   19.242 35.35498 27.28889 
1 1 1    1   -8   37 o   60.759   25.458   36.502   64.965   36.502   64.965   0.0000   0.0000   60.759   25.458  ?   ?  0.000000 25.45850 
1 1 1    1   -8   38 o   39.240   15.484   14.535   22.379 -13.3305   59.747   19.082   24.136   48.204   22.065   42.147   16.237 6.056690 27.39593 
1 1 1    1   -8   39 o   31.649   14.007  -3.0642   21.873   46.748   70.047  -8.4463   23.025   61.572   26.149   30.765   13.932 30.80705 29.62949 
1 1 1    1   -7    0 o  488.496   15.801  2997.18  192.748  2939.83  272.482  3054.61  272.691  482.308   22.624  491.741   22.207 -9.433197 31.70125 
1 1 1    1   -7    1 o  463.725   15.078  2701.10  174.601  2668.63  246.844  2733.62  247.001  459.511   21.512  465.136   21.265 -5.625275 30.24837 
1 1 1    1   -7    2 o  191.434   9.4223  458.776   45.043  389.834   54.864  601.331   78.892  175.842   12.577  218.294   14.556 -42.45248 19.23704 
1 1 1    1   -7    3 o  445.965   20.996  2518.43  233.818  2609.14  330.469  2427.51  330.870  449.958   29.576  433.393   30.772 16.56454 42.68066 
1 1 1    1   -7    4 o  346.914   11.863  1509.65  102.768  1522.07  145.313  1497.21  145.359  347.543   16.744  344.665   16.889 2.877960 23.78174 
1 1 1    1   -7    5 o  422.899   14.152  2247.01  149.451  2264.34  211.350  2229.69  211.363  423.214   19.998  419.922   20.156 3.291870 28.39366 
1 1 1    1   -7    6 o  196.441   8.0832  482.685   39.652  485.419   56.001  479.935   56.152  196.488   11.463  195.359   11.562 1.128387 16.28103 
1 1 1    1   -7    7 o  245.999   9.3820  757.099   57.634  750.902   81.441  763.316   81.572  244.376   13.397  246.405   13.306 -2.028915 18.88187 
1 1 1    1   -7    8 o  149.030   10.956  279.429   40.486  320.742   59.165  243.048   55.521  159.237   15.058  138.215   16.406 21.02133 22.26892 
1 1 1    1   -7    9 o  264.925   12.036  878.425   79.625  831.884   97.701  970.482  137.407  257.175   15.282  277.176   19.986 -20.00101 25.15899 
1 1 1    1   -7   10 o  241.427   10.783  729.058   65.012  758.384   80.033  672.167  111.473  245.785   13.087  230.536   19.547 15.24899 23.52360 
1 1 1    1   -7   11 o  370.913   14.071  1722.79  130.335  1842.01  160.097  1488.50  224.433  383.302   16.726  342.521   26.444 40.78043 31.28951 
1 1 1    1   -7   12 o  499.193   18.458  3127.07  230.099  3231.27  282.243  2920.56  397.335  506.859   22.299  478.590   33.457 28.26987 40.20692 
1 1 1    1   -7   13 o  348.424   24.787  1537.52  214.260  1537.52  214.260   0.0000   0.0000  348.424   24.787  ?   ?  0.000000 24.78709 
1 1 1    1   -7   14 o  350.282   14.507  1537.28  126.892  1492.83  155.906  1624.51  218.402  344.369   18.194  358.117   24.571 -13.74771 30.57347 
1 1 1    1   -7   15 o  133.745   10.406  225.132   34.481  201.947   43.826  262.804   55.864  126.164   14.155  143.898   15.807 -17.73405 21.21806 
1 1 1    1   -7   16 o  348.467   13.502  1522.01  117.490  1626.32  144.903  1321.86  200.732  359.915   16.122  322.285   25.141 37.63019 29.86599 
1 1 1    1   -7   17 o  708.390   46.270  6627.32  814.016   0.0000   0.0000  6627.32  814.016  ?   ?   708.390   46.270 0.000000 46.27029 
1 1 1    1   -7   18 f  522.463   24.341  3469.12  317.567  3346.15  450.971  3590.09  447.268  506.827   35.863  526.009   34.237 -19.18231 49.58184 
1 1 1    1   -7   19 o  254.982   11.270  815.508   71.763  869.435   89.430  717.987  120.263  262.645   13.683  237.161   20.508 25.48459 24.65382 
1 1 1    1   -7   20 o  360.815   14.478  1640.21  130.447  1673.49  160.914  1576.42  222.792  363.646   17.720  349.513   25.707 14.13312 31.22220 
1 1 1    1   -7   21 o  150.402   9.9495  285.075   37.157  301.026   48.289  261.922   58.179  154.144   12.657  142.924   16.611 11.21977 20.88319 
1 1 1    1   -7   22 o  122.141   13.921  190.677   41.701  190.677   41.701   0.0000   0.0000  122.141   13.921  ?   ?  0.000000 13.92088 
1 1 1    1   -7   23 f  253.544   11.062  808.727   70.037  911.095   88.510  637.280  114.544  268.686   13.192  222.036   20.905 46.65025 24.71880 
1 1 1    1   -7   24 o  420.645   15.912  2246.17  167.149  2335.40  206.358  2075.94  285.025  427.248   19.342  396.019   29.024 31.22885 34.87786 
1 1 1    1   -7   25 o  199.087   10.614  500.137   52.577  542.730   67.922  436.460   83.049  206.831   13.220  183.989   18.319 22.84178 22.59098 
1 1 1    1   -7   26 o  152.337   10.702  293.552   40.455  304.352   54.305  280.085   60.642  154.371   14.248  147.391   16.775 6.980713 22.00908 
1 1 1    1   -7   27 o  212.283   13.410  572.496   70.720  742.436  117.645  476.340   88.494  239.555   19.845  191.960   18.698 47.59439 27.26617 
1 1 1    1   -7   28 o  240.761   11.829  731.898   71.122  777.382   91.588  662.810  112.878  246.893   14.925  225.905   20.223 20.98813 25.13470 
1 1 1    1   -7   29 o  169.333   11.699  363.905   49.165  353.024   66.540  376.987   72.963  165.514   16.311  170.747   17.353 -5.233078 23.81544 
1 1 1    1   -7   30 o  150.930   11.160  289.328   41.763  344.553   59.866  236.971   58.291  163.786   14.797  134.692   17.764 29.09393 23.11908 
1 1 1    1   -7   31 o  219.094   21.735  635.768  117.347  635.768  117.347   0.0000   0.0000  219.094   21.735  ?   ?  0.000000 21.73505 
1 1 1    1   -7   32 o   69.230   15.151   63.924   25.466   80.789   46.744   56.806   30.369   76.959   22.742   65.035   18.058 11.92465 29.03966 
1 1 1    1   -7   33 o   74.519   15.148   74.278   27.227   60.593   48.567   80.551   32.880   68.413   23.516   77.018   17.494 -8.605865 29.30930 
1 1 1    1   -7   34 o  240.126   11.407  738.480   68.403  918.216   92.511  521.698  101.599  265.761   13.989  195.084   21.196 70.67642 25.39628 
1 1 1    1   -7   35 o  107.132   15.595  154.184   40.497  216.261  105.789  143.526   43.836  113.797   34.349  102.235   17.818 11.56261 38.69551 
1 1 1    1   -7   36 o   93.066   15.082  117.372   33.852   91.864   58.997  129.892   41.333   78.219   25.917   96.623   17.786 -18.40370 31.43315 
1 1 1    1   -7   37 o   35.071   14.234   8.3308   19.465   5.0491   52.487   8.8541   20.959   50.313   22.001   36.251   14.749 14.06244 26.48724 
1 1 1    1   -7   38 o   71.380   17.290   72.878   30.493   42.702   63.927   81.766   34.694   61.994   25.551   75.037   18.607 -13.04261 31.60832 
1 1 1    1   -7   39 o  114.100   27.383  218.368   77.029  218.368   77.029   0.0000   0.0000  114.100   27.383  ?   ?  0.000000 27.38319 
1 1 1    1   -7   40 o   97.762   15.793  135.803   37.242  236.333   78.569  106.671   42.295  116.593   27.442   82.965   20.527 33.62800 34.26955 
1 1 1    1   -6    0 o  522.599   16.703  3427.69  217.976  3353.99  308.152  3501.49  308.377  515.553   23.935  526.881   23.438 -11.32813 33.49987 
1 1 1    1   -6    1 o  329.161   11.643  1356.54   95.706  1316.95  135.271  1396.21  135.426  323.413   16.807  333.504   16.261 -10.09143 23.38603 
1 1 1    1   -6    2 o  213.666   9.1672  571.129   48.913  593.071   69.160  549.171   69.187  217.157   12.810  208.873   13.334 8.283936 18.49053 
1 1 1    1   -6    3 o  220.274   9.3521  607.248   51.443  610.523   72.726  603.970   72.776  220.210   13.287  219.009   13.371 1.200699 18.85036 
1 1 1    1   -6    4 o  529.135   24.242  3558.83  320.320  3695.38  452.906  3422.16  453.096  533.584   34.170  512.562   35.620 21.02240 49.35977 
1 1 1    1   -6    5 o  420.721   13.357  2222.97  140.333  2262.55  198.482  2183.40  198.441  423.255   18.779  415.699   19.116 7.555511 26.79689 
1 1 1    1   -6    6 o  103.142   7.5926  133.791   19.418  145.495   27.419  122.012   27.505  107.270   10.365   97.990   11.457 9.280365 15.44947 
1 1 1    1   -6    7 o  249.724   9.3562  780.564   58.346  820.806   82.560  740.413   82.468  255.465   12.984  242.499   13.674 12.96609 18.85666 
1 1 1    1   -6    8 o  514.023   19.152  3326.94  245.841  3335.94  301.233  3308.98  425.414  513.634   23.485  507.129   33.786 6.504578 41.14671 
1 1 1    1   -6    9 o  376.690   18.365  1782.92  172.757  1742.88  244.891  1822.59  243.745  370.229   26.667  378.826   25.922 -8.597778 37.18932 
1 1 1    1   -6   10 o  508.823   18.688  3251.08  237.461  3359.52  291.163  3035.68  410.352  516.567   22.571  487.401   33.926 29.16629 40.74873 
1 1 1    1   -6   11 o  578.622   20.440  4206.65  295.348  4466.99  362.255  3690.51  510.070  595.475   24.361  536.483   38.326 58.99158 45.41304 
1 1 1    1   -6   12 o  699.797   24.750  6169.01  432.504  6459.30  530.247  5591.95  747.597  714.683   29.711  657.820   45.796 56.86237 54.58939 
1 1 1    1   -6   13 o  294.680   12.468  1086.69   91.748  1103.39  112.861  1054.14  157.542  296.376   15.302  288.722   22.017 7.653870 26.81169 
1 1 1    1   -6   14 o  354.558   25.110  1592.29  220.882  1592.29  220.882   0.0000   0.0000  354.558   25.110  ?   ?  0.000000 25.10963 
1 1 1    1   -6   15 o  475.627   17.550  2838.74  208.442  3001.89  256.016  2517.94  359.000  488.580   20.984  444.111   32.598 44.46967 38.76820 
1 1 1    1   -6   16 o  532.235   19.714  3561.99  262.011  3629.00  321.636  3429.81  451.747  536.306   24.016  517.194   35.187 19.11237 42.60152 
1 1 1    1   -6   17 o  688.331   30.368  6032.23  521.987  6032.23  521.987   0.0000   0.0000  688.331   30.368  ?   ?  0.000000 30.36771 
1 1 1    1   -6   18 o  273.836   13.075  940.348   89.412  860.155  110.502  1092.41  152.162  260.959   17.051  293.442   20.902 -32.48273 26.97409 
1 1 1    1   -6   19 o  110.115   12.806  154.178   34.557  162.076   61.638  150.558   41.733  111.063   22.982  108.266   15.911 2.796776 27.95208 
1 1 1    1   -6   20 o  256.373   11.070  824.352   70.874  895.523   88.556  697.535  118.210  266.948   13.284  233.720   20.460 33.22856 24.39437 
1 1 1    1   -6   21 o  267.864   12.277  901.785   82.122  892.508  102.138  918.748  138.115  265.535   15.470  267.975   20.802 -2.439636 25.92436 
1 1 1    1   -6   22 o  241.604   11.674  733.883   70.433  730.014   88.009  740.775  117.466  240.036   14.754  240.445   19.738 -0.4083252 24.64248 
1 1 1    1   -6   23 o  280.637   12.910  992.684   90.471  960.158  112.410  1052.49  152.433  274.726   16.461  285.848   21.512 -11.12268 27.08796 
1 1 1    1   -6   24 o  353.317   26.068  1631.32  228.369  1631.32  228.369   0.0000   0.0000  353.317   26.068  ?   ?  0.000000 26.06755 
1 1 1    1   -6   25 o  251.445   12.415  797.355   77.954  754.983   97.801  871.170  129.085  243.319   16.188  260.053   20.032 -16.73380 25.75531 
1 1 1    1   -6   26 o  281.544   12.236  999.859   86.031  1055.94  108.086  902.906  142.113  288.203   15.071  263.862   21.762 24.34177 26.47085 
1 1 1    1   -6   27 o   42.795   13.705   22.659   16.569   27.300   31.245   20.843   19.544   51.122   18.726   42.800   14.906 8.321335 23.93429 
1 1 1    1   -6   28 o  215.822   14.700  593.586   78.754  601.580  126.761  588.560  100.505  213.695   24.180  213.452   19.056 0.2428131 30.78602 
1 1 1    1   -6   29 o   97.382   12.264  121.643   29.161  129.185   45.036  116.198   38.267   98.777   18.947   94.060   16.914 4.717354 25.39819 
1 1 1    1   -6   30 o  190.776   11.129  460.786   52.790  520.206   71.430  389.275   78.362  201.878   14.261  173.175   18.402 28.70352 23.28128 
1 1 1    1   -6   31 o   58.552   15.208   45.375   22.436   42.315   42.135   46.585   26.506   60.893   21.824   59.497   16.995 1.395824 27.66090 
1 1 1    1   -6   32 o   62.573   23.335   42.029   48.901   42.029   48.901   0.0000   0.0000   62.573   23.335  ?   ?  0.000000 23.33463 
1 1 1    1   -6   33 o  176.762   11.373  398.605   49.933  525.179   73.476  289.982   68.067  201.629   14.694  147.805   18.872 53.82393 23.91798 
1 1 1    1   -6   34 o  181.695   12.101  424.033   54.590  454.674   76.622  392.447   77.796  185.897   16.683  171.650   18.438 14.24748 24.86567 
1 1 1    1   -6   35 o   41.680   14.759   20.193   19.215   72.133   45.784   9.0884   21.170   71.980   22.752   36.950   14.898 35.02974 27.19604 
1 1 1    1   -6   36 o   44.010   15.804   22.621   22.106   86.983   98.719   19.223   22.682   80.909   32.330   42.472   15.882 38.43737 36.02031 
1 1 1    1   -6   37 o  119.516   13.536  189.613   39.685  201.395   65.091  182.642   50.066  117.110   23.078  114.728   18.073 2.382019 29.31297 
1 1 1    1   -6   38 o   99.212   18.533  139.445   44.227   0.0000   0.0000  139.445   44.227  ?   ?    99.212   18.533 0.000000 18.53291 
1 1 1    1   -6   39 o   97.302   15.161  130.305   35.637  223.878   70.510   98.201   41.301  120.417   24.287   81.292   20.383 39.12534 31.70634 
1 1 1    1   -6   40 o   44.215   21.414 -77.3932   72.882 -77.3932   72.882   0.0000   0.0000   44.215   21.414  ?   ?  0.000000 21.41389 
1 1 1    1   -6   41 o   99.236   15.868  140.299   37.999  235.373   80.814  113.313   43.055  114.732   28.367   85.521   20.439 29.21013 34.96305 
1 1 1    1   -5    0 o  238.950   13.616  717.310   80.910  716.294  114.389  718.327  114.459  238.028   19.414  238.370   19.397 -0.3418884 27.44298 
1 1 1    1   -5    1 o  572.592   18.087  4116.44  258.625  4051.80  365.656  4181.16  365.845  566.446   25.850  575.515   25.456 -9.068909 36.27998 
1 1 1    1   -5    2 f  451.281   14.765  2552.99  166.394  2522.28  235.261  2583.73  235.372  447.639   21.046  453.102   20.802 -5.462891 29.59160 
1 1 1    1   -5    3 o  562.111   17.806  3971.28  249.939  3966.18  353.443  3976.38  353.490  559.884   25.280  560.612   25.250 -0.7279053 35.72997 
1 1 1    1   -5    4 f  278.753   10.032  972.613   69.834  967.435   98.736  977.795   98.785  277.289   14.308  278.784   14.237 -1.495056 20.18437 
1 1 1    1   -5    5 o  397.643   13.353  1984.56  132.597  2051.20  187.567  1917.99  187.474  403.277   18.625  389.828   19.258 13.44888 26.79147 
1 1 1    1   -5    6 o  512.364   23.503  3335.93  300.713  3638.16  425.372  3033.97  425.174  530.110   32.287  482.091   35.569 48.01898 48.03712 
1 1 1    1   -5    7 o  549.968   17.577  3813.67  241.403  3856.17  341.433  3771.19  341.359  550.359   24.843  544.143   25.122 6.215759 35.33102 
1 1 1    1   -5    8 o  471.732   17.844  2803.42  210.205  2799.48  257.551  2811.29  363.795  470.335   21.928  467.112   31.370 3.222504 38.27419 
1 1 1    1   -5    9 o  404.320   15.682  2052.64  158.337  2080.37  194.100  1997.47  273.746  406.488   19.122  395.531   27.894 10.95743 33.81871 
1 1 1    1   -5   10 o  356.762   14.442  1595.33  128.667  1495.44  157.643  1794.66  222.692  344.520   18.390  376.424   23.813 -31.90445 30.08771 
1 1 1    1   -5   11 o  628.487   26.796  4988.79  420.554  5664.05  596.559  4321.65  592.964  665.708   36.020  579.102   41.274 86.60553 54.78075 
1 1 1    1   -5   12 o  1112.31   39.183 15798.50  1088.36 16177.30  1333.53 15042.85  1883.47  1119.60   47.697  1056.19   71.838 63.40771 86.23066 
1 1 1    1   -5   13 o  339.104   14.127  1439.88  119.628  1400.66  146.802  1517.40  206.395  333.725   17.678  346.375   24.010 -12.65045 29.81607 
1 1 1    1   -5   14 o  855.882   29.881  9263.80  638.636  9041.42  782.192  9708.48  1106.08  842.626   37.173  864.106   51.493 -21.47986 63.50835 
1 1 1    1   -5   15 o  698.082   25.037  6141.94  436.457  6251.97  534.996  5922.96  754.704  702.727   30.487  677.221   44.881 25.50543 54.25648 
1 1 1    1   -5   17 o  317.521   12.779  1262.61  101.323  1339.27  125.123  1116.56  172.696  326.804   15.332  296.638   23.506 30.16620 28.06407 
1 1 1    1   -5   18 o  279.641   12.834  979.882   89.623  940.604  110.774  1054.32  152.491  273.201   16.311  288.398   21.325 -15.19788 26.84811 
1 1 1    1   -5   19 o  307.958   13.159  1189.48  101.193  1199.29  125.056  1170.89  172.226  308.434   16.294  303.336   22.905 5.098114 28.10981 
1 1 1    1   -5   20 f  125.769   10.168  199.423   31.662  195.394   41.596  204.975   48.820  123.997   13.660  126.680   15.774 -2.682571 20.86686 
1 1 1    1   -5   21 f  172.936   13.320  378.090   57.080  354.286   88.718  394.903   74.561  165.577   22.001  176.058   17.178 -10.48074 27.91317 
1 1 1    1   -5   22 o   64.449   12.429   53.965   19.279   34.490   27.943   71.656   26.633   53.599   17.840   74.093   14.910 -20.49467 23.25070 
1 1 1    1   -5   23 o  133.091   9.7593  223.425   32.209  252.963   42.881  185.183   48.790  141.269   12.277  119.810   16.767 21.45930 20.78133 
1 1 1    1   -5   24 o  365.327   14.540  1686.52  132.645  1727.55  164.003  1608.92  225.550  368.645   17.815  351.473   25.880 17.17218 31.41924 
1 1 1    1   -5   25 o   89.597   19.512  106.360   42.420  106.360   42.420   0.0000   0.0000   89.597   19.512  ?   ?  0.000000 19.51204 
1 1 1    1   -5   26 o  272.721   11.939  937.214   81.311  998.999  102.241  830.889  134.123  280.556   14.644  253.423   21.394 27.13316 25.92564 
1 1 1    1   -5   27 o  306.407   12.980  1185.60   99.318  1227.91  124.266  1110.78  165.253  310.499   16.082  292.371   22.815 18.12836 27.91297 
1 1 1    1   -5   28 o   80.224   12.955   83.297   25.070   68.081   38.642   94.357   32.944   71.858   20.518   84.814   16.144 -12.95609 26.10789 
1 1 1    1   -5   29 o  125.349   11.726  199.861   36.279  185.490   51.453  214.069   51.161  119.271   17.822  128.718   16.281 -9.446129 24.13864 
1 1 1    1   -5   30 o  237.122   14.242  715.769   83.941  902.166  138.680  607.992  105.452  263.354   21.269  216.543   19.717 46.81061 29.00236 
1 1 1    1   -5   31 o  102.485   11.826  134.423   29.710  201.015   49.285   96.411   37.236  124.492   16.240   85.155   18.070 39.33682 24.29544 
1 1 1    1   -5   32 o  163.846   11.501  341.161   46.758  387.521   66.876  296.825   65.400  173.449   15.607  150.941   17.686 22.50879 23.58778 
1 1 1    1   -5   33 o  271.486   12.724  937.775   86.265  1002.39  112.382  845.090  134.594  278.638   16.221  252.598   21.543 26.03957 26.96770 
1 1 1    1   -5   34 o  104.511   14.516  142.892   36.860  112.546   65.281  157.096   44.661   89.395   26.983  108.812   16.992 -19.41771 31.88703 
1 1 1    1   -5   35 o   52.903   16.273   36.793   23.594   9.1270   48.355   45.438   27.030   51.424   21.777   58.268   17.312 -6.843418 27.81975 
1 1 1    1   -5   36 o   68.530   16.183   64.167   27.252   32.477   51.297   76.627   32.166   58.618   23.343   74.565   17.564 -15.94654 29.21291 
1 1 1    1   -5   37 o  145.585   12.514  276.824   45.054  325.416   69.927  242.335   58.912  154.097   18.544  132.955   18.223 21.14180 25.99953 
1 1 1    1   -5   38 o   68.365   18.289   66.210   31.833  130.910  125.243   61.742   32.914   89.409   36.171   65.961   18.968 23.44741 40.84275 
1 1 1    1   -5   39 o   66.514   16.477   62.241   27.227  187.536   65.373   35.946   29.948  110.983   24.265   52.513   18.442 58.47038 30.47767 
1 1 1    1   -5   40 o   47.941   16.910   29.631   25.201  -2.0695   65.749   35.090   27.284   52.761   23.750   51.187   17.624 1.574657 29.57494 
1 1 1    1   -5   41 o   66.536   29.119   50.643   92.111   50.643   92.111   0.0000   0.0000   66.536   29.119  ?   ?  0.000000 29.11852 
1 1 1    1   -4    0 f   55.564   6.9465   39.177   9.4279   35.539   13.298   42.854   13.369   52.377   10.532   57.779   9.6025 -5.402092 14.25247 
1 1 1    1   -4    1 o  318.810   11.193  1271.45   89.107  1178.55  125.899  1364.69  126.135  306.164   16.528  330.026   15.305 -23.86182 22.52627 
1 1 1    1   -4    2 o  363.905   17.740  1661.70  161.209  1654.82  228.064  1668.57  227.904  361.342   25.437  362.873   25.309 -1.530579 35.88301 
1 1 1    1   -4    3 o  663.485   20.523  5536.69  340.035  5496.09  480.829  5577.31  480.936  658.589   29.236  663.507   29.026 -4.918091 41.19822 
1 1 1    1   -4    4 o  600.796   18.744  4538.16  281.221  4512.65  397.655  4563.68  397.757  597.000   26.674  600.410   26.529 -3.410767 37.61998 
1 1 1    1   -4    5 o  986.374   30.287 12411.62  746.020 12381.23  1054.98 12442.01  1055.08  974.366   43.358  976.857   43.252 -2.491028 61.24265 
1 1 1    1   -4    6 o  207.806   8.3282  540.243   43.218  567.484   61.182  513.115   61.056  212.475   11.575  201.936   12.164 10.53954 16.79126 
1 1 1    1   -4    7 o  400.371   19.140  2024.72  191.362  2294.06  270.686  1755.60  270.568  423.489   25.718  368.786   29.630 54.70309 39.23454 
1 1 1    1   -4    8 o  619.116   22.446  4861.87  347.020  4788.92  425.029  5007.72  601.007  611.899   27.816  617.482   39.180 -5.583374 48.04943 
1 1 1    1   -4    9 o  133.229   8.8457  223.076   29.262  235.003   36.119  200.294   49.918  136.563   10.676  125.154   16.364 11.40905 19.53856 
1 1 1    1   -4   10 o  350.104   14.043  1537.15  122.773  1548.30  150.552  1515.02  212.122  350.991   17.177  345.135   24.777 5.856079 30.14849 
1 1 1    1   -4   11 o  593.366   21.665  4433.02  321.018  4448.27  393.333  4402.59  555.547  593.146   26.555  585.047   38.236 8.098267 46.55299 
1 1 1    1   -4   12 o  613.248   26.610  4747.54  407.511  3889.82  575.502  5610.06  577.116  549.046   42.300  663.133   34.974 -114.0873 54.88661 
1 1 1    1   -4   13 o  737.667   26.301  6861.96  484.485  6950.15  593.674  6686.12  838.296  740.604   32.100  719.059   46.943 21.54572 56.86909 
1 1 1    1   -4   14 o  511.283   19.018  3280.53  242.822  3301.11  297.712  3239.62  419.686  512.241   23.274  504.352   33.513 7.888702 40.80232 
1 1 1    1   -4   15 o  371.261   25.881  1745.61  238.446   0.0000   0.0000  1745.61  238.446  ?   ?   371.261   25.881 0.000000 25.88130 
1 1 1    1   -4   16 o  486.595   22.589  2979.01  274.484  2979.01  274.484   0.0000   0.0000  486.595   22.589  ?   ?  0.000000 22.58908 
1 1 1    1   -4   17 o  415.997   28.397  2199.12  293.236  2199.12  293.236   0.0000   0.0000  415.997   28.397  ?   ?  0.000000 28.39741 
1 1 1    1   -4   18 o  244.994   12.579  753.625   76.697  677.507   94.948  896.556  130.108  231.770   16.513  266.280   19.707 -34.51059 25.71048 
1 1 1    1   -4   19 o  600.545   20.640  4546.14  309.537  4930.18  380.226  3791.48  533.002  624.225   24.392  540.233   39.789 83.99213 46.67064 
1 1 1    1   -4   20 f  236.929   11.008  703.191   65.127  750.066   81.497  620.355  108.338  244.143   13.419  220.867   19.855 23.27519 23.96401 
1 1 1    1   -4   21 o  211.051   10.943  559.792   57.476  561.502   72.122  556.816   95.146  210.976   13.765  209.253   18.395 1.722824 22.97495 
1 1 1    1   -4   22 o  300.914   15.234  1143.65  114.101  1279.27  166.661  1024.01  156.539  316.656   21.199  282.810   22.348 33.84549 30.80264 
1 1 1    1   -4   23 o  254.067   11.779  811.098   74.732  838.530   93.417  762.334  124.550  257.493   14.588  243.900   20.643 13.59337 25.27752 
1 1 1    1   -4   24 o  189.577   11.348  453.342   53.476  420.369   67.769  507.752   87.054  181.810   15.062  199.292   17.676 -17.48216 23.22298 
1 1 1    1   -4   25 f  219.327   11.090  606.364   60.542  623.640   76.706  577.823   98.594  221.842   13.917  212.208   18.800 9.633865 23.39049 
1 1 1    1   -4   26 o  202.113   14.737  519.428   73.867  519.428   73.867   0.0000   0.0000  202.113   14.737  ?   ?  0.000000 14.73686 
1 1 1    1   -4   27 o  187.775   11.621  445.718   54.226  420.586   70.116  483.121   85.538  181.478   15.624  193.959   17.861 -12.48129 23.73032 
1 1 1    1   -4   28 o  118.448   11.463  178.320   33.483  163.158   46.737  194.307   47.991  111.976   17.270  122.711   16.046 -10.73490 23.57322 
1 1 1    1   -4   29 o  100.695   11.877  129.564   29.292  125.802   43.724  132.627   39.453   97.680   18.605  100.948   16.199 -3.267990 24.66841 
1 1 1    1   -4   30 o  382.971   16.182  1866.78  154.757  1800.91  192.206  1988.17  260.948  373.390   20.695  387.830   27.115 -14.43994 34.10954 
1 1 1    1   -4   31 o   84.065   16.641   93.160   33.697 -10.7955   90.854  109.741   36.285   65.807   28.856   91.451   16.496 -25.64429 33.23826 
1 1 1    1   -4   32 o   84.467   14.015   92.903   28.525   77.890   48.887  100.652   35.123   76.753   23.391   87.349   16.711 -10.59664 28.74733 
1 1 1    1   -4   33 o  101.604   13.174  133.234   32.639  130.070   53.353  135.126   41.260   97.815   22.333  101.324   16.902 -3.509323 28.00825 
1 1 1    1   -4   34 o  168.023   11.121  359.341   46.399  479.082   68.729  259.070   62.894  192.959   14.366  140.109   18.422 52.84976 23.36194 
1 1 1    1   -4   35 o   79.024   25.786   85.078   58.482   85.078   58.482   0.0000   0.0000   79.024   25.786  ?   ?  0.000000 25.78563 
1 1 1    1   -4   36 o   81.587   15.422   89.219   30.270   60.758   56.142  100.883   35.942   69.424   25.152   86.223   17.294 -16.79958 30.52366 
1 1 1    1   -4   37 o  171.742   12.320  382.344   52.487  434.456   77.222  337.598   71.556  179.953   17.401  157.747   18.517 22.20529 25.41051 
1 1 1    1   -4   38 o   98.308   25.715  146.163   63.850  146.163   63.850   0.0000   0.0000   98.308   25.715  ?   ?  0.000000 25.71478 
1 1 1    1   -4   39 f  176.777   14.552  416.495   63.667  731.740  139.319  333.284   71.578  221.062   25.718  154.723   18.920 66.33945 31.92782 
1 1 1    1   -4   40 o   84.414   16.214   99.157   32.937  114.707   69.851   94.711   37.350   84.091   28.209   81.126   18.804 2.965584 33.90188 
1 1 1    1   -4   41 o   82.734   16.130   96.293   32.127  187.673   72.878   74.251   35.792  106.559   27.273   70.820   19.582 35.73906 33.57505 
1 1 1    1   -4   42 o   71.779   30.605   79.960   96.638   79.960   96.638   0.0000   0.0000   71.779   30.605  ?   ?  0.000000 30.60465 
1 1 1    1   -3    0 o  256.943   9.8313  825.383   63.081  860.660   89.238  790.150   89.182  261.862   13.694  250.814   14.298 11.04800 19.79818 
1 1 1    1   -3    1 o  523.818   16.605  3438.92  217.207  3295.76  307.016  3582.37  307.337  511.746   24.025  533.699   23.060 -21.95288 33.30114 
1 1 1    1   -3    2 o  361.334   12.410  1633.80  111.973  1616.81  158.322  1650.80  158.386  359.044   17.658  362.814   17.482 -3.769897 24.84784 
1 1 1    1   -3    3 o  624.573   27.069  4925.45  422.181  4286.07  596.178  5568.60  597.935  576.875   41.665  660.195   36.409 -83.31989 55.33210 
1 1 1    1   -3    4 o  906.634   27.219 10391.86  616.239 10385.02  871.496 10398.70  871.493  900.632   38.750  901.240   38.723 -0.6085205 54.78163 
1 1 1    1   -3    5 o  1015.45   30.775 13108.91  780.366 12879.59  1103.35 13338.44  1103.86  997.002   44.317  1015.25   43.540 -18.24579 62.12665 
1 1 1    1   -3    6 o  585.645   18.485  4316.57  270.343  4170.47  382.152  4462.93  382.493  573.192   26.698  593.265   25.818 -20.07245 37.13999 
1 1 1    1   -3    7 o  333.954   11.872  1398.05   99.005  1407.14  140.012  1388.95  140.018  333.954   16.843  331.760   16.958 2.194366 23.90093 
1 1 1    1   -3    8 o  417.274   15.966  2191.53  166.366  2269.11  203.930  2037.17  287.662  423.823   19.268  397.634   29.174 26.18903 34.96242 
1 1 1    1   -3    9 o  325.153   23.677  1349.60  190.930  1349.60  190.930   0.0000   0.0000  325.153   23.677  ?   ?  0.000000 23.67718 
1 1 1    1   -3   10 o  625.640   22.765  4954.87  355.664  4897.80  435.655  5068.91  615.869  619.797   28.148  623.028   39.793 -3.231506 48.74163 
1 1 1    1   -3   11 o  756.328   27.030  7252.08  510.517  7049.87  625.164  7656.86  884.494  742.594   33.713  764.649   46.543 -22.05554 57.46980 
1 1 1    1   -3   12 o  385.395   15.227  1861.81  146.549  1849.35  179.681  1886.58  253.279  383.714   18.752  385.551   26.467 -1.837311 32.43659 
1 1 1    1   -3   13 o  817.709   29.110  8455.08  594.427  8356.82  728.093  8651.48  1029.38  810.257   35.984  815.332   50.811 -5.075256 62.26221 
1 1 1    1   -3   14 f  448.960   21.128  2532.55  236.875  2436.78  335.788  2627.42  334.201  437.787   30.914  455.007   29.573 -17.21964 42.78146 
1 1 1    1   -3   15 o  137.845   10.115  238.859   34.576  221.123   43.276  270.165   57.496  132.257   13.283  145.967   16.038 -13.71100 20.82438 
1 1 1    1   -3   16 o  447.479   17.132  2510.57  191.442  2521.82  234.885  2488.30  330.414  448.014   20.995  442.601   30.073 5.412964 36.67670 
1 1 1    1   -3   17 o  360.009   13.536  1622.74  121.690  1768.38  149.847  1340.67  208.544  375.613   15.976  325.034   25.908 50.57916 30.43787 
1 1 1    1   -3   18 o  306.708   12.961  1177.86   99.269  1212.02  122.436  1112.32  169.589  310.508   15.843  296.274   23.105 14.23441 28.01476 
1 1 1    1   -3   19 o  432.104   29.363  2380.85  314.959  2380.85  314.959   0.0000   0.0000  432.104   29.363  ?   ?  0.000000 29.36288 
1 1 1    1   -3   20 o  242.153   12.305  736.623   74.165  683.129   91.983  836.016  125.382  232.680   15.926  256.862   19.697 -24.18109 25.33043 
1 1 1    1   -3   21 f  458.484   17.905  2648.30  204.993  2540.47  251.720  2860.61  353.226  447.322   22.608  471.776   30.140 -24.45398 37.67645 
1 1 1    1   -3   22 o  165.112   11.042  343.306   45.265  308.227   57.515  400.386   73.368  155.827   14.965  177.465   16.754 -21.63782 22.46390 
1 1 1    1   -3   23 o  250.961   15.411  796.860   96.110  718.198  141.305  864.578  131.109  235.853   24.342  260.213   20.338 -24.36046 31.72040 
1 1 1    1   -3   24 o  204.309   12.277  526.760   62.346  430.376   78.176  695.177  103.339  183.593   17.254  233.552   17.854 -49.95866 24.82860 
1 1 1    1   -3   25 o  343.801   13.563  1490.25  116.440  1531.98  144.317  1412.42  197.098  347.737   16.619  330.500   24.046 17.23737 29.23054 
1 1 1    1   -3   26 o  241.846   11.994  736.323   72.436  715.282   91.059  772.583  119.536  237.244   15.455  245.303   19.680 -8.058838 25.02254 
1 1 1    1   -3   27 o  123.070   10.753  191.863   32.714  195.180   45.032  188.155   47.605  123.334   14.925  120.775   16.192 2.558426 22.02123 
1 1 1    1   -3   28 o   95.274   20.496  120.581   47.316  120.581   47.316   0.0000   0.0000   95.274   20.496  ?   ?  0.000000 20.49594 
1 1 1    1   -3   29 o  235.609   11.734  699.436   69.039  721.733   88.493  664.757  110.362  238.217   14.952  227.066   19.657 11.15141 24.69739 
1 1 1    1   -3   30 o  174.254   11.448  384.186   49.538  384.972   66.637  383.215   74.066  173.478   15.547  172.555   17.427 0.9237823 23.35445 
1 1 1    1   -3   31 o  153.053   12.121  297.453   45.947  262.992   63.591  335.095   66.462  142.291   18.322  161.345   16.739 -19.05382 24.81728 
1 1 1    1   -3   32 o  153.169   15.035  300.924   56.768  252.729  111.391  317.833   65.978  133.931   33.415  156.851   17.123 -22.92017 37.54675 
1 1 1    1   -3   33 o   76.497   13.971   76.561   25.705  107.559   46.790   63.161   30.763   89.301   21.284   68.866   17.770 20.43517 27.72648 
1 1 1    1   -3   34 o  190.798   11.654  462.740   55.262  523.235   76.986  398.437   79.372  201.637   15.406  174.626   18.482 27.01073 24.06119 
1 1 1    1   -3   35 o  179.332   11.811  410.458   52.599  466.180   75.304  357.373   73.500  189.479   16.066  164.838   18.157 24.64102 24.24481 
1 1 1    1   -3   36 o   81.244   27.020   90.673   64.101   90.673   64.101   0.0000   0.0000   81.244   27.020  ?   ?  0.000000 27.01951 
1 1 1    1   -3   37 o  182.300   18.692  446.381   83.890   0.0000   0.0000  446.381   83.890  ?   ?   182.300   18.692 0.000000 18.69205 
1 1 1    1   -3   38 o   61.338   16.776   51.667   26.437   39.688   57.651   54.856   29.749   62.282   24.764   63.050   18.003 -0.7676392 30.61653 
1 1 1    1   -3   39 o  116.215   13.815  179.200   39.307  189.949   67.973  173.799   48.179  112.927   24.784  112.361   17.761 0.5653381 30.49119 
1 1 1    1   -3   40 o   73.798   17.866   77.044   32.573   33.631  113.933   80.908   33.992   71.676   31.832   75.500   18.235 -3.823593 36.68505 
1 1 1    1   -3   41 o   96.274   16.267  128.583   37.714   76.018   73.817  147.152   43.873   72.475   28.263  102.145   17.850 -29.67002 33.42759 
1 1 1    1   -3   42 o   54.608   17.444   41.991   26.857   66.696   73.973   38.240   28.824   68.663   27.791   52.849   18.119 15.81322 33.17607 
1 1 1    1   -2    0 o  382.182   12.669  1827.49  120.907  1709.93  170.875  1945.36  171.102  368.782   18.615  393.957   17.392 -25.17484 25.47565 
1 1 1    1   -2    1 o  443.655   14.548  2464.41  161.174  2495.33  227.961  2433.50  227.906  445.826   20.476  440.238   20.731 5.588379 29.13824 
1 1 1    1   -2    2 o  163.475   8.0149  333.963   32.719  328.446   46.254  339.488   46.289  161.635   11.535  164.361   11.347 -2.725357 16.18101 
1 1 1    1   -2    3 o  446.504   14.330  2496.49  159.779  2500.31  225.958  2492.66  225.965  446.199   20.279  445.512   20.311 0.6875000 28.70150 
1 1 1    1   -2    4 o  312.412   11.102  1220.92   86.613  1217.54  122.479  1224.30  122.499  311.284   15.808  312.153   15.766 -0.8690796 22.32638 
1 1 1    1   -2    5 o  419.508   19.770  2211.82  207.112  2080.44  292.863  2343.26  292.937  404.295   29.204  429.654   27.446 -25.35883 40.07717 
1 1 1    1   -2    6 o  327.570   11.637  1343.29   95.194  1292.46  134.554  1394.23  134.696  320.411   16.876  333.315   16.183 -12.90387 23.38118 
1 1 1    1   -2    7 o  380.477   15.003  1817.19  142.543  1808.26  174.636  1835.01  246.731  379.024   18.451  379.411   26.202 -0.3878479 32.04636 
1 1 1    1   -2    8 o  335.470   13.560  1412.65  113.593  1325.25  139.115  1587.52  196.771  323.947   17.259  353.331   22.417 -29.38361 28.29165 
1 1 1    1   -2    9 o  327.847   13.548  1349.80  110.917  1314.95  135.916  1419.29  191.912  322.634   16.929  333.570   23.183 -10.93607 28.70609 
1 1 1    1   -2   10 o  427.253   29.171  2347.01  309.376  2347.01  309.376   0.0000   0.0000  427.253   29.171  ?   ?  0.000000 29.17116 
1 1 1    1   -2   11 o  478.986   17.532  2886.45  209.699  3034.75  257.142  2592.02  362.323  490.331   21.001  448.679   32.559 41.65109 38.74459 
1 1 1    1   -2   12 o  489.047   18.249  3005.56  222.858  3061.23  273.171  2894.76  385.364  492.796   22.198  475.543   32.649 17.25238 39.48055 
1 1 1    1   -2   13 o  298.754   12.916  1117.41   96.359  1074.30  118.220  1202.74  166.323  292.258   16.263  308.449   21.732 -16.19107 27.14350 
1 1 1    1   -2   14 o  569.910   36.895  4151.29  522.261   0.0000   0.0000  4151.29  522.261  ?   ?   569.910   36.895 0.000000 36.89501 
1 1 1    1   -2   15 o  529.727   34.697  3576.24  456.440  3576.24  456.440   0.0000   0.0000  529.727   34.697  ?   ?  0.000000 34.69661 
1 1 1    1   -2   16 o  236.630   11.954  702.284   70.408  640.767   86.698  821.438  120.661  225.640   15.480  255.156   19.075 -29.51514 24.56607 
1 1 1    1   -2   17 o  234.713   10.330  688.898   60.546  774.803   75.074  529.078  102.399  248.848   12.081  204.254   20.347 44.59444 23.66315 
1 1 1    1   -2   18 o  313.426   13.668  1230.09  106.975  1145.45  131.546  1395.36  183.817  301.669   17.538  332.301   22.281 -30.63196 28.35488 
1 1 1    1   -2   19 o  460.139   17.314  2657.37  198.944  2727.44  244.367  2519.63  342.594  465.596   21.018  444.484   31.061 21.11264 37.50348 
1 1 1    1   -2   20 o  163.493   17.505  339.609   70.357  339.609   70.357   0.0000   0.0000  163.493   17.505  ?   ?  0.000000 17.50488 
1 1 1    1   -2   21 o  347.478   13.293  1514.13  115.348  1642.83  142.492  1269.47  196.463  361.625   15.779  315.455   25.149 46.16959 29.68910 
1 1 1    1   -2   22 o  703.905   25.526  6306.31  448.682  6340.44  550.190  6238.53  775.261  702.414   31.367  684.783   45.597 17.63104 55.34385 
1 1 1    1   -2   23 o  549.394   20.401  3824.81  279.886  3859.58  343.632  3756.29  482.415  549.851   25.026  534.940   36.328 14.91150 44.11438 
1 1 1    1   -2   24 o  173.953   9.7829  380.541   42.323  428.298   54.662  309.052   66.878  184.272   11.943  155.367   17.545 28.90536 21.22408 
1 1 1    1   -2   25 o  170.322   13.721  367.839   57.863  322.800   91.499  397.855   74.697  156.914   24.123  176.442   17.171 -19.52730 29.61017 
1 1 1    1   -2   26 o  335.290   14.838  1420.32  124.234  1309.63  153.593  1629.78  211.277  320.118   19.304  355.099   23.966 -34.98065 30.77387 
1 1 1    1   -2   27 o   87.101   11.692   97.139   24.790   85.021   35.935  108.142   34.242   80.195   18.342   91.201   15.596 -11.00667 24.07627 
1 1 1    1   -2   28 o  186.617   11.157  439.649   51.754  436.232   67.268  444.605   81.017  185.153   14.669  186.165   17.638 -1.011780 22.94028 
1 1 1    1   -2   29 o  241.116   21.265  751.916  126.728  751.916  126.728   0.0000   0.0000  241.116   21.265  ?   ?  0.000000 21.26504 
1 1 1    1   -2   30 o  287.912   13.234  1046.96   95.147  1037.74  119.879  1062.65  156.408  285.143   16.911  286.414   22.037 -1.271423 27.77839 
1 1 1    1   -2   31 o  330.707   14.985  1386.91  123.753  1302.93  154.601  1536.69  206.468  318.276   19.546  343.108   24.254 -24.83240 31.14962 
1 1 1    1   -2   32 f  163.504   11.373  338.585   46.145  371.693   64.703  304.315   65.830  170.389   15.372  153.456   17.491 16.93216 23.28617 
1 1 1    1   -2   33 o  245.647   12.556  765.061   76.763  794.054  100.912  725.241  118.261  248.984   16.320  236.303   20.236 12.68192 25.99729 
1 1 1    1   -2   34 o  265.752   13.446  898.944   88.940  883.927  115.165  921.136  140.003  261.690   17.728  265.268   21.315 -3.578339 27.72355 
1 1 1    1   -2   35 f   46.905   15.351   27.262   20.721   14.995   48.052   30.065   22.966   53.695   22.144   49.226   16.164 4.468769 27.41602 
1 1 1    1   -2   36 o   80.107   15.425   85.278   29.738   41.084   55.408  103.159   35.244   63.807   24.596   87.929   16.661 -24.12230 29.70794 
1 1 1    1   -2   38 o  102.158   14.280  137.941   35.433  138.167   64.270  137.842   42.471   96.965   26.007  100.790   17.510 -3.824455 31.35166 
1 1 1    1   -2   39 o  137.594   13.793  249.185   46.754  213.276   73.846  273.209   60.402  120.199   25.398  142.074   17.388 -21.87572 30.77973 
1 1 1    1   -2   40 o   56.705   16.984   44.134   25.938   10.389   61.432   51.454   28.614   55.423   24.023   60.838   17.741 -5.414577 29.86403 
1 1 1    1   -2   41 o  112.057   16.142  171.749   43.868  269.130  128.116  158.816   46.690  118.235   38.134  106.466   18.216 11.76884 42.26129 
1 1 1    1   -2   42 o   66.198   17.062   62.431   28.383  143.316   74.426   48.666   30.703   92.157   28.995   58.659   18.642 33.49762 34.47023 
1 1 1    1   -2   43 o   56.465   17.871   45.584   28.240   53.008   78.073   44.467   30.291   65.706   27.739   55.981   18.572 9.725014 33.38226 
1 1 1    1   -1    0 o  775.959   33.441  7623.81  647.998  6926.41  915.360  8324.40  917.458  731.622   50.410  804.735   45.844 -73.11261 68.13818 
1 1 1    1   -1    1 o  118.721   7.3629  176.784   21.721  171.694   30.714  181.876   30.723  116.696   10.657  120.168   10.339 -3.471100 14.84815 
1 1 1    1   -1    2 o  361.799   12.296  1637.58  111.090  1632.03  157.095  1643.14  157.116  360.829   17.434  362.059   17.378 -1.230347 24.61588 
1 1 1    1   -1    3 o  608.022   18.732  4637.65  284.411  4563.97  402.135  4711.38  402.300  601.709   26.763  611.438   26.348 -9.729614 37.55626 
1 1 1    1   -1    4 o  495.466   15.787  3075.94  195.333  3088.13  276.254  3063.74  276.230  495.578   22.323  493.603   22.410 1.974640 31.63080 
1 1 1    1   -1    5 o  175.320   8.4180  384.196   36.855  380.672   52.103  387.724   52.138  174.000   12.066  175.622   11.960 -1.621841 16.98864 
1 1 1    1   -1    6 o  370.082   17.996  1719.58  166.309  1649.77  235.262  1789.31  235.132  360.435   26.320  375.697   25.209 -15.26163 36.44465 
1 1 1    1   -1    7 o   79.632   8.6056   80.218   16.841   70.768   20.726   98.578   28.889   74.314   11.543   87.664   13.640 -13.34942 17.86899 
1 1 1    1   -1    8 o  115.331   8.6882  167.332   24.838  161.818   30.553  178.079   42.654  113.147   10.950  118.197   14.774 -5.049927 18.38965 
1 1 1    1   -1    9 o  384.315   15.129  1856.78  145.196  1778.43  177.831  2013.47  251.481  374.905   19.058  396.954   25.505 -22.04938 31.83828 
1 1 1    1   -1   10 o  224.421   10.701  631.099   59.972  635.035   73.599  623.324  103.456  224.533   13.184  221.425   18.891 3.107971 23.03677 
1 1 1    1   -1   11 o  581.828   38.317  4417.66  553.602  4417.66  553.602   0.0000   0.0000  581.828   38.317  ?   ?  0.000000 38.31680 
1 1 1    1   -1   12 o  189.547   10.290  450.977   48.523  423.843   59.644  504.086   83.445  183.428   13.107  199.591   16.901 -16.16245 21.38784 
1 1 1    1   -1   13 o  758.981   26.959  7284.93  510.965  7477.60  626.177  6900.95  883.959  766.661   32.707  726.739   48.994 39.92206 58.90830 
1 1 1    1   -1   14 o  562.039   20.366  3968.98  285.834  4022.98  350.339  3861.47  494.333  564.990   24.831  549.547   36.225 15.44250 43.91843 
1 1 1    1   -1   15 o   92.314   9.5974  107.688   21.801   92.032   27.563  133.848   35.628   84.707   13.482  102.406   14.324 -17.69903 19.67139 
1 1 1    1   -1   16 o  463.147   21.330  2694.74  246.701  2768.99  350.052  2621.48  347.736  467.126   30.170  454.296   30.835 12.82950 43.13934 
1 1 1    1   -1   17 o  580.948   21.029  4239.51  305.074  4341.00  374.138  4038.15  526.999  587.025   25.523  562.042   37.768 24.98364 45.58288 
1 1 1    1   -1   18 o  955.019   33.761 11575.30  805.159 11701.03  986.560 11324.52  1393.32  956.351   41.310  926.482   60.556 29.86841 73.30459 
1 1 1    1   -1   19 o  451.478   17.331  2557.16  195.396  2529.14  239.817  2612.50  337.015  448.437   21.415  453.262   29.944 -4.825012 36.81354 
1 1 1    1   -1   20 o  834.492   29.673  8834.75  618.360  8323.41  757.168  9858.76  1071.50  806.122   37.613  868.042   49.637 -61.91998 62.27851 
1 1 1    1   -1   21 o  763.903   49.643  7704.99  941.854  7704.99  941.854   0.0000   0.0000  763.903   49.643  ?   ?  0.000000 49.64295 
1 1 1    1   -1   22 o  713.679   25.982  6472.38  463.043  6249.36  567.429  6916.92  801.114  697.812   32.563  724.531   44.493 -26.71899 55.13597 
1 1 1    1   -1   23 o  405.698   15.837  2071.39  160.448  2096.39  197.529  2022.89  275.083  407.332   19.419  396.725   27.945 10.60776 34.03000 
1 1 1    1   -1   24 o  336.370   13.845  1423.02  116.295  1449.45  143.741  1372.92  197.871  338.431   17.063  327.069   24.402 11.36258 29.77625 
1 1 1    1   -1   25 o   45.849   12.857   27.169   15.315   24.916   25.328   28.467   19.228   47.709   16.939   47.586   14.699 0.1226196 22.42796 
1 1 1    1   -1   26 o  194.522   14.627  480.144   70.534  379.417  107.491  556.311   93.472  169.637   26.220  208.616   18.122 -38.97980 31.87370 
1 1 1    1   -1   27 o  191.946   11.587  465.041   55.281  428.477   70.481  523.494   89.115  183.415   15.534  202.272   17.825 -18.85756 23.64389 
1 1 1    1   -1   28 o  167.536   11.373  354.671   47.299  327.931   61.651  392.929   73.743  160.209   15.608  175.136   17.079 -14.92659 23.13660 
1 1 1    1   -1   29 o  165.533   11.906  346.807   48.888  295.363   64.111  418.284   75.569  151.517   17.252  180.712   16.944 -29.19485 24.18074 
1 1 1    1   -1   30 o  194.010   20.012  486.499   95.561  486.499   95.561   0.0000   0.0000  194.010   20.012  ?   ?  0.000000 20.01174 
1 1 1    1   -1   31 o  257.761   14.314  843.266   91.775  679.447  115.770  1120.33  150.558  229.305   20.432  294.796   20.581 -65.49036 29.00054 
1 1 1    1   -1   32 o   72.911   14.894   69.778   26.202   25.445   44.519   93.274   32.410   55.981   21.916   84.354   15.971 -28.37253 27.11799 
1 1 1    1   -1   33 o  126.553   12.966  204.538   40.397  152.261   59.255  249.932   55.218  106.441   22.967  139.232   16.183 -32.79152 28.09589 
1 1 1    1   -1   34 o  129.891   11.915  214.908   38.218  249.063   59.242  190.561   50.018  138.436   17.529  120.970   17.029 17.46629 24.43903 
1 1 1    1   -1   35 o   59.496   16.773   46.689   25.994 -34.0373  100.063   52.531   26.919   64.825   29.229   62.894   16.815 1.931297 33.72048 
1 1 1    1   -1   36 o  123.255   12.636  195.214   38.342  233.424   63.430  173.214   48.131  132.405   19.791  114.577   17.366 17.82832 26.33034 
1 1 1    1   -1   37 o  235.290   17.830  726.914  103.987  726.914  103.987   0.0000   0.0000  235.290   17.830  ?   ?  0.000000 17.83042 
1 1 1    1   -1   38 o  109.797   14.353  158.361   38.412  105.930   63.668  188.366   48.165   85.979   26.779  118.936   16.675 -32.95674 31.54657 
1 1 1    1   -1   39 o   90.011   29.370  121.688   75.873  121.688   75.873   0.0000   0.0000   90.011   29.370  ?   ?  0.000000 29.37037 
1 1 1    1   -1   40 o   80.459   15.955   88.411   30.925  106.219   67.141   83.616   34.841   84.018   27.639   77.299   18.328 6.719238 33.16365 
1 1 1    1   -1   41 o   56.335   17.535   43.407   27.303 -93.7639   76.831   63.233   29.209   45.644   22.077   67.192   17.303 -21.54895 28.04963 
1 1 1    1   -1   42 o   70.596   16.731   70.064   29.044  126.089   73.667   59.753   31.604   87.925   28.952   64.724   18.580 23.20110 34.40118 
1 1 1    1   -1   43 o  105.828   15.389  154.140   39.478  201.712   84.284  140.770   44.683  108.052   30.112   98.902   18.779 9.149803 35.48762 
1 1 1    1    0    0 o  931.297   28.330 10937.68  658.842 10863.94  931.669 11011.44  931.817  923.431   40.402  929.802   40.132 -6.371033 56.94660 
1 1 1    1    0    1 o  616.920   27.199  4796.08  419.017  5130.49  593.078  4462.79  592.083  634.364   37.607  590.549   40.392 43.81537 55.18821 
1 1 1    1    0    2 o  522.945   23.469  3438.42  306.483  3694.45  433.816  3183.30  433.051  539.454   32.353  499.912   34.908 39.54230 47.59508 
1 1 1    1    0    3 o  457.656   14.670  2622.50  167.654  2599.00  237.068  2646.01  237.128  454.951   20.867  459.070   20.685 -4.118774 29.38188 
1 1 1    1    0    4 o  385.509   12.744  1859.70  122.687  1724.78  173.340  1995.14  173.672  370.314   18.806  398.919   17.434 -28.60571 25.64413 
1 1 1    1    0    5 o  156.030   8.1237  305.089   31.543  308.370   44.604  301.808   44.614  156.586   11.487  154.889   11.619 1.697906 16.33892 
1 1 1    1    0    6 o  609.345   19.063  4662.67  290.075  4532.76  410.084  4792.77  410.372  598.971   27.417  616.104   26.673 -17.13312 38.25090 
1 1 1    1    0    7 o  517.836   19.086  3370.09  246.810  3311.74  302.265  3486.83  427.528  512.447   23.620  522.402   32.941 -9.954590 40.53448 
1 1 1    1    0    8 o  545.879   24.761  3770.42  337.526  3650.55  477.354  3890.27  477.313  532.055   36.142  549.882   34.942 -17.82697 50.27112 
1 1 1    1    0    9 o  992.536   35.484 12720.35  879.492 12388.75  1076.86 13384.65  1524.16  970.450   44.436  983.374   62.390 -12.92407 76.59699 
1 1 1    1    0   10 o  193.909   10.326  472.345   49.819  435.627   61.099  545.184   86.055  185.821   13.254  207.405   16.758 -21.58391 21.36609 
1 1 1    1    0   11 o  735.919   26.558  6905.00  488.065  6822.56  597.765  7069.84  845.324  727.497   32.904  727.805   46.759 -0.3082275 57.17554 
1 1 1    1    0   12 o  450.066   17.170  2548.15  192.969  2508.64  236.424  2627.00  333.986  445.682   21.243  452.717   29.708 -7.035217 36.52126 
1 1 1    1    0   14 o  324.689   16.661  1325.62  134.634  1325.62  134.634   0.0000   0.0000  324.689   16.661  ?   ?  0.000000 16.66104 
1 1 1    1    0   15 o  534.794   19.801  3591.06  264.432  3547.22  324.031  3678.47  457.532  530.744   24.448  537.244   34.282 -6.500549 42.10703 
1 1 1    1    0   16 o  569.227   20.832  4069.37  296.127  4106.96  362.970  3994.55  512.088  571.031   25.454  559.365   36.867 11.66656 44.80079 
1 1 1    1    0   17 o  241.626   11.385  730.231   68.695  732.913   84.697  725.074  117.436  241.549   14.103  239.546   19.810 2.003204 24.31682 
1 1 1    1    0   18 o  466.880   22.014  2739.83  256.657  2500.75  363.770  2976.82  362.172  443.013   33.122  484.362   30.092 -41.34973 44.75000 
1 1 1    1    0   19 o  545.077   20.224  3732.16  275.283  3660.91  337.502  3873.77  475.815  538.978   25.076  551.059   34.755 -12.08130 42.85698 
1 1 1    1    0   20 o  174.760   9.3213  382.969   40.532  438.009   51.454  292.966   65.797  186.780   11.081  151.772   17.693 35.00768 20.87620 
1 1 1    1    0   21 o  970.251   34.138 12022.42  827.133 12413.61  1013.92 11244.15  1430.11  980.773   41.399  912.313   63.162 68.46051 75.52010 
1 1 1    1    0   22 o  536.432   20.268  3627.58  271.509  3474.41  332.999  3931.35  468.950  523.538   25.471  552.644   34.148 -29.10626 42.60091 
1 1 1    1    0   23 o  256.692   20.887  838.154  132.724  838.154  132.724   0.0000   0.0000  256.692   20.887  ?   ?  0.000000 20.88666 
1 1 1    1    0   24 o  380.351   15.600  1821.28  148.168  1720.56  182.383  2016.78  254.103  368.220   19.909  396.648   25.794 -28.42844 32.58365 
1 1 1    1    0   25 o  246.697   11.855  764.212   73.031  764.255   91.227  764.134  121.864  245.857   14.930  244.599   20.130 1.257843 25.06215 
1 1 1    1    0   26 o  303.043   13.487  1156.38  102.060  1115.97  126.476  1231.81  172.804  296.457   17.158  309.701   22.498 -13.24396 28.29349 
1 1 1    1    0   27 o  141.905   14.218  256.508   49.706  162.523   81.152  312.938   62.882  109.755   29.126  156.426   16.339 -46.67055 33.39604 
1 1 1    1    0   28 o   86.001   12.902   95.203   26.853   46.129   38.230  142.997   37.728   61.939   20.869  105.405   14.736 -43.46519 25.54730 
1 1 1    1    0   29 o  231.113   10.800  671.432   62.327  750.766   80.123  549.859   99.185  243.630   13.219  206.743   19.440 36.88676 23.50871 
1 1 1    1    0   30 o  331.277   14.613  1387.98  120.887  1345.48  150.578  1465.04  202.753  324.358   18.669  335.780   24.346 -11.42224 30.67979 
1 1 1    1    0   31 o  173.199   12.318  379.981   52.931  318.850   69.782  462.807   81.227  157.216   18.105  190.001   17.309 -32.78493 25.04833 
1 1 1    1    0   32 o  232.223   21.543  699.394  123.508  699.394  123.508   0.0000   0.0000  232.223   21.543  ?   ?  0.000000 21.54335 
1 1 1    1    0   33 o  198.872   12.157  500.787   60.083  494.002   80.458  509.341   90.337  196.354   16.563  198.817   18.404 -2.462463 24.76011 
1 1 1    1    0   34 o   62.524   15.118   51.625   23.345   56.997   47.069   49.872   26.885   68.235   23.155   61.555   16.952 6.680168 28.69707 
1 1 1    1    0   35 o  101.606   13.493  133.156   33.388  123.837   57.795  137.824   40.904   95.347   24.225  102.630   16.521 -7.282646 29.32210 
1 1 1    1    0   36 o  185.986   18.225  450.894   83.556   0.0000   0.0000  450.894   83.556  ?   ?   185.986   18.225 0.000000 18.22481 
1 1 1    1    0   37 o  236.737   18.038  732.781  105.832  328.947  155.821  1078.59  144.193  144.339   41.198  285.777   20.338 -141.4378 45.94481 
1 1 1    1    0   38 o  193.261   12.730  480.123   61.091  490.293   86.312  469.913   86.480  192.507   18.169  188.152   18.652 4.354752 26.03861 
1 1 1    1    0   39 o   74.519   15.059   74.646   27.058  127.588   59.128   60.622   30.431   93.989   24.823   66.511   17.919 27.47823 30.61526 
1 1 1    1    0   40 o  129.311   29.476  256.022   93.067  256.022   93.067   0.0000   0.0000  129.311   29.476  ?   ?  0.000000 29.47635 
1 1 1    1    0   41 o  116.605   14.420  180.947   41.095  184.376   76.267  179.545   48.782  109.265   27.865  114.471   17.631 -5.206093 32.97437 
1 1 1    1    0   42 o  129.436   14.490  223.929   46.030  207.550   81.199  231.684   55.876  114.388   28.524  129.660   17.721 -15.27223 33.58055 
1 1 1    1    0   43 o  103.617   15.511  146.971   38.901  153.018   81.109  145.165   44.332   94.934   30.313  101.381   18.179 -6.447212 35.34613 
1 1 1    1    0   44 o   43.848   16.308   22.492   23.854   33.412  132.138   22.124   24.252   71.043   32.628   43.810   16.414 27.23294 36.52447 
1 1 1    1    1    0 o  128.518   10.674  207.941   33.948  224.031   48.037  191.889   47.982  132.964   14.714  122.741   16.038 10.22308 21.76501 
1 1 1    1    1    1 o   26.584   7.9531   8.9127   5.6899   1.9717   8.0153   15.964   8.0785   22.161   9.0805   35.093   9.1311 -12.93195 12.87760 
1 1 1    1    1    2 o  228.062   13.070  652.945   74.125  717.795  104.914  588.304  104.744  238.643   17.732  215.657   19.666 22.98587 26.47949 
1 1 1    1    1    3 o  299.612   12.362  1123.03   92.493  1201.54  113.355  966.624  159.995  309.785   14.653  276.300   23.409 33.48502 27.61658 
1 1 1    1    1    4 o  213.232   12.797  570.975   67.826  564.924   95.863  577.042   95.978  211.452   18.336  213.750   18.153 -2.297775 25.80180 
1 1 1    1    1    5 o  522.084   16.606  3416.43  216.493  3451.17  306.203  3381.71  306.133  523.739   23.412  518.401   23.648 5.337891 33.27700 
1 1 1    1    1    6 o  353.526   14.147  1565.22  124.890  1547.52  152.969  1600.59  216.285  351.247   17.440  355.607   24.506 -4.360199 30.07763 
1 1 1    1    1    7 o  665.829   23.545  5587.23  391.477  5431.31  479.342  5899.52  678.389  654.804   29.315  677.047   40.307 -22.24298 49.83964 
1 1 1    1    1    8 o  853.699   30.359  9265.84  647.217  9164.91  792.614  9467.79  1121.19  845.028   37.561  845.883   53.352 -0.8555298 65.24760 
1 1 1    1    1    9 f  322.841   16.443  1313.37  132.122  1296.15  187.048  1330.53  186.650  319.160   23.637  323.482   23.261 -4.322235 33.16336 
1 1 1    1    1   10 f  621.402   22.617  4893.97  350.967  4957.18  429.987  4767.79  607.496  623.128   27.633  602.304   40.628 20.82458 49.13440 
1 1 1    1    1   11 o  260.793   11.659  852.755   75.927  852.980   93.110  852.308  131.175  260.154   14.388  258.830   20.462 1.324249 25.01407 
1 1 1    1    1   12 o  488.157   32.613  3075.47  395.267   0.0000   0.0000  3075.47  395.267  ?   ?   488.157   32.613 0.000000 32.61271 
1 1 1    1    1   13 o  604.075   39.363  4729.84  590.536  4729.84  590.536   0.0000   0.0000  604.075   39.363  ?   ?  0.000000 39.36263 
1 1 1    1    1   14 o  171.268   16.972  371.637   71.633  371.637   71.633   0.0000   0.0000  171.268   16.972  ?   ?  0.000000 16.97229 
1 1 1    1    1   15 o  683.181   30.183  5906.71  514.934  5676.38  728.077  6137.23  728.378  663.327   44.207  690.693   42.435 -27.36578 61.27845 
1 1 1    1    1   16 o  712.314   31.353  6420.02  557.699  6168.28  788.554  6671.96  788.856  691.618   45.919  720.297   44.069 -28.67908 63.64416 
1 1 1    1    1   17 o  148.320   11.499  276.802   42.258  266.460   60.290  286.790   59.246  144.828   16.993  150.459   16.015 -5.630615 23.35036 
1 1 1    1    1   18 o  646.887   23.403  5263.15  378.054  5242.07  463.291  5305.15  654.045  644.388   28.791  643.462   40.916 0.9266357 50.03059 
1 1 1    1    1   19 o  641.100   28.521  5190.61  456.609  4579.40  645.745  5801.82  645.739  596.187   43.678  673.622   38.548 -77.43512 58.25520 
1 1 1    1    1   20 o  260.888   12.356  851.830   80.495  796.848   99.350  956.889  137.334  251.639   15.892  275.253   20.119 -23.61378 25.63874 
1 1 1    1    1   21 o  880.307   31.225  9843.54  686.411  9356.98  840.540 10817.63  1189.29  853.968   39.415  907.347   52.716 -53.37848 65.82198 
1 1 1    1    1   22 o  767.482   27.566  7473.29  528.306  7411.76  647.501  7595.82  913.755  761.135   34.067  759.974   48.400 1.160889 59.18701 
1 1 1    1    1   23 o  365.141   15.281  1674.65  139.340  1562.85  171.458  1892.10  239.124  351.539   19.610  385.453   24.977 -33.91336 31.75524 
1 1 1    1    1   24 o  254.807   20.874  826.768  131.654  826.768  131.654   0.0000   0.0000  254.807   20.874  ?   ?  0.000000 20.87374 
1 1 1    1    1   25 o  321.291   13.850  1298.00  111.119  1264.80  137.346  1360.91  189.061  316.035   17.471  326.094   23.372 -10.05936 29.18037 
1 1 1    1    1   26 o   97.992   11.516  122.209   27.642   88.861   37.692  161.019   40.661   82.141   18.784  112.071   14.898 -29.93018 23.97459 
1 1 1    1    1   27 o  170.359   10.967  365.971   46.408  344.803   59.731  398.208   73.713  164.686   14.678  176.585   16.924 -11.89841 22.40204 
1 1 1    1    1   28 o  274.129   13.050  946.677   89.336  891.832  111.287  1046.06  149.812  264.758   16.921  285.374   21.173 -20.61591 27.10400 
1 1 1    1    1   29 o  358.549   18.586  1640.16  165.845  1597.15  239.893  1679.53  229.531  349.290   27.731  359.364   25.748 -10.07349 37.84141 
1 1 1    1    1   30 o  213.269   11.987  574.427   63.579  546.754   81.434  617.629  101.751  207.165   15.862  219.420   18.750 -12.25487 24.55935 
1 1 1    1    1   31 o  159.351   12.348  321.840   48.752  255.127   64.800  408.852   74.004  140.234   18.993  178.694   16.781 -38.46033 25.34416 
1 1 1    1    1   32 o  215.199   11.181  584.337   59.878  659.948   79.633  485.973   90.827  228.066   14.051  194.227   18.969 33.83926 23.60571 
1 1 1    1    1   33 o  210.475   21.542  575.671  111.628  575.671  111.628   0.0000   0.0000  210.475   21.542  ?   ?  0.000000 21.54181 
1 1 1    1    1   34 o   67.155   14.290   59.250   23.228   88.632   46.024   49.208   26.905   81.459   22.075   61.223   16.996 20.23598 27.85991 
1 1 1    1    1   35 o  189.114   11.670  453.121   54.840  498.171   76.556  405.639   78.596  197.211   15.675  177.090   18.024 20.12132 23.88640 
1 1 1    1    1   36 o  270.435   14.471  933.739   97.372  860.769  126.202  1041.07  153.061  257.155   19.805  281.678   21.933 -24.52304 29.55161 
1 1 1    1    1   37 o  143.545   16.002  267.780   56.384  140.546  120.749  303.258   63.762  102.074   36.900  152.478   17.037 -50.40450 40.64354 
1 1 1    1    1   38 o  134.210   11.903  231.029   39.478  338.414   66.726  173.195   48.968  160.691   16.881  114.122   17.760 46.56905 24.50295 
1 1 1    1    1   39 o   95.597   14.564  120.581   33.670  105.602   63.382  126.469   39.741   86.108   26.703   97.063   17.016 -10.95480 31.66364 
1 1 1    1    1   40 o  115.664   13.748  175.559   38.932  189.004   69.558  169.426   46.979  114.235   25.072  112.046   17.351 2.188667 30.49021 
1 1 1    1    1   41 o   70.850   28.639   54.529   78.447   54.529   78.447   0.0000   0.0000   70.850   28.639  ?   ?  0.000000 28.63938 
1 1 1    1    1   42 o   89.650   15.696  109.319   33.859  132.504   74.829  103.350   37.968   91.776   29.096   85.957   18.252 5.819000 34.34690 
1 1 1    1    1   43 o   80.759   16.972   91.073   33.140   65.109   76.378   97.095   36.783   71.178   28.439   82.818   18.276 -11.64065 33.80487 
1 1 1    1    1   44 o   42.489   15.885   20.270   22.689   85.454   78.469   14.323   23.702   75.105   29.181   40.119   15.901 34.98597 33.23242 
1 1 1    1    2    0 f  212.966   18.296  572.846   96.358   0.0000   0.0000  572.846   96.358  ?   ?   212.966   18.296 0.000000 18.29630 
1 1 1    1    2    1 o  676.226   29.837  5773.94  503.847  5868.27  712.687  5679.69  712.408  676.665   42.391  665.374   43.108 11.29144 60.45871 
1 1 1    1    2    5 o  438.426   20.450  2413.87  223.890  2486.39  316.678  2341.39  316.578  442.814   28.795  429.442   29.703 13.37170 41.36916 
1 1 1    1    2    6 o  339.874   13.568  1446.23  115.153  1354.37  140.964  1630.50  199.648  328.179   17.261  359.363   22.358 -31.18423 28.24611 
1 1 1    1    2    7 o  560.862   20.277  3953.99  283.999  4129.61  348.039  3604.04  491.298  572.340   24.351  530.034   37.358 42.30548 44.59347 
1 1 1    1    2    8 o  1295.79   46.152 21800.33  1493.39 21337.47  1828.56 22727.45  2587.93  1268.30   57.735  1269.85   82.050 -1.553345 100.3269 
1 1 1    1    2    9 o  238.586   13.622  716.073   80.820  675.293  114.313  756.830  114.281  230.650   20.046  244.491   18.864 -13.84166 27.52627 
1 1 1    1    2   10 o  378.063   26.389  1827.73  247.575   0.0000   0.0000  1827.73  247.575  ?   ?   378.063   26.389 0.000000 26.38915 
1 1 1    1    2   11 o  356.354   17.471  1600.42  155.471  1651.54  220.098  1549.51  219.643  359.554   24.662  347.962   25.454 11.59164 35.44214 
1 1 1    1    2   12 o  730.060   32.618  6860.43  594.650  6869.40  841.124  6851.46  840.801  717.632   47.200  716.644   47.248 0.9886475 66.78442 
1 1 1    1    2   13 o  422.161   19.856  2246.43  209.328  2052.86  295.893  2440.36  296.176  400.168   29.824  437.390   27.252 -37.22208 40.39981 
1 1 1    1    2   14 o  167.271   11.909  352.043   49.419  309.619   70.107  393.944   69.673  155.922   18.357  176.489   15.982 -20.56677 24.33964 
1 1 1    1    2   15 o  450.757   30.185  2583.82  337.803  2583.82  337.803   0.0000   0.0000  450.757   30.185  ?   ?  0.000000 30.18470 
1 1 1    1    2   16 o  523.956   23.551  3454.15  308.139  3075.51  435.424  3834.01  436.124  490.729   35.779  549.373   31.928 -58.64365 47.95303 
1 1 1    1    2   17 o  408.873   19.455  2097.79  198.641  1932.09  280.997  2263.31  280.846  390.162   29.049  422.947   26.728 -32.78534 39.47450 
1 1 1    1    2   18 o  808.735   35.392  8300.43  714.758  8081.33  1010.82  8519.54  1010.82  789.373   51.562  811.388   50.133 -22.01483 71.91693 
1 1 1    1    2   19 o  748.118   32.871  7090.60  614.094  6800.75  868.424  7380.49  868.497  725.213   48.228  756.671   46.184 -31.45807 66.77518 
1 1 1    1    2   20 o  172.939   16.982  378.565   72.394   0.0000   0.0000  378.565   72.394  ?   ?   172.939   16.982 0.000000 16.98243 
1 1 1    1    2   21 o  313.060   16.607  1232.66  129.361  1114.27  183.874  1348.69  182.029  296.176   25.097  326.553   22.459 -30.37735 33.67878 
1 1 1    1    2   22 o  228.162   11.178  651.568   63.690  652.042   79.284  650.705  106.943  227.661   14.014  226.703   19.068 0.9586487 23.66372 
1 1 1    1    2   23 f  753.520   27.182  7211.37  511.479  7165.55  626.956  7302.53  884.430  747.807   33.574  743.883   47.865 3.924133 58.46590 
1 1 1    1    2   24 o  447.741   17.274  2523.98  193.137  2468.78  237.336  2632.20  332.316  441.811   21.512  452.749   29.555 -10.93820 36.55487 
1 1 1    1    2   25 o  190.204   18.623  461.185   87.318  461.185   87.318   0.0000   0.0000  190.204   18.623  ?   ?  0.000000 18.62259 
1 1 1    1    2   26 o  316.905   13.574  1263.15  107.422  1254.99  133.018  1278.44  182.144  314.791   16.984  315.801   23.260 -1.010162 28.80129 
1 1 1    1    2   27 o  129.253   11.097  211.283   35.470  179.136   46.810  254.632   54.356  117.988   16.325  141.176   15.683 -23.18877 22.63758 
1 1 1    1    2   28 o  240.271   12.590  728.485   75.276  660.292   94.287  848.361  125.009  227.790   16.692  257.494   19.588 -29.70340 25.73536 
1 1 1    1    2   29 o  566.815   21.517  4110.80  304.563  4025.51  374.153  4278.32  524.336  557.133   26.893  563.619   37.467 -6.486511 46.11990 
1 1 1    1    2   30 o  282.995   16.831  1019.28  118.405  900.586  174.339  1120.91  161.318  262.020   27.033  294.853   22.069 -32.83325 34.89755 
1 1 1    1    2   31 o  278.970   13.649  982.285   95.083  908.450  119.297  1110.88  157.438  266.643   18.022  293.562   21.629 -26.91864 28.15308 
1 1 1    1    2   32 o  285.079   13.240  1025.54   94.258  1019.85  119.026  1035.09  154.359  282.866   16.928  283.009   22.015 -0.1426086 27.77063 
1 1 1    1    2   33 o  478.497   19.467  2928.06  232.605  2768.56  287.119  3232.66  396.771  461.141   25.027  491.629   32.502 -30.48727 41.02099 
1 1 1    1    2   34 o  156.781   21.858  322.325   83.249  322.325   83.249   0.0000   0.0000  156.781   21.858  ?   ?  0.000000 21.85808 
1 1 1    1    2   35 o  220.296   12.823  615.401   70.237  602.357   94.283  631.666  105.284  216.484   17.593  221.105   19.261 -4.621201 26.08600 
1 1 1    1    2   36 o  278.338   17.991  997.937  124.382  997.937  124.382   0.0000   0.0000  278.338   17.991  ?   ?  0.000000 17.99147 
1 1 1    1    2   37 o   73.059   14.832   70.484   26.136   97.210   54.699   62.577   29.752   84.569   24.491   68.443   17.376 16.12625 30.02934 
1 1 1    1    2   38 o  208.819   12.950  557.832   67.194  555.749   93.088  560.099   97.092  206.012   18.285  206.418   19.051 -0.4063721 26.40579 
1 1 1    1    2   39 o  143.042   13.135  264.176   46.394  262.250   74.221  265.412   59.436  138.488   22.213  141.786   17.134 -3.297852 28.05322 
1 1 1    1    2   40 o  140.618   12.918  256.368   44.854  295.066   74.313  234.192   56.257  146.885   20.845  132.367   17.444 14.51776 27.18115 
1 1 1    1    2   41 o  129.173   14.168  219.533   44.951  182.682   75.992  239.367   55.751  110.289   27.645  133.443   17.125 -23.15320 32.51997 
1 1 1    1    2   42 o  147.517   14.444  287.715   52.525  251.284   87.176  308.478   65.813  128.544   27.954  150.675   17.837 -22.13043 33.16031 
1 1 1    1    2   43 o  242.374   14.494  777.784   87.322  803.613  124.790  753.003  122.234  238.954   21.131  230.888   21.445 8.065643 30.10648 
1 1 1    1    2   44 o   37.453   14.881   11.611   20.803   6.0881   76.433   12.052   21.619   58.461   26.013   38.123   15.163 20.33854 30.10926 
1 1 1    1    2   45 o   79.013   17.770   89.590   34.213   60.026   88.721   94.754   37.081   69.839   29.532   80.767   18.746 -10.92760 34.97939 
1 1 1    1    3    0 o  498.834   22.602  3127.78  281.546  2920.66  397.846  3335.56  398.486  479.021   33.469  512.662   31.276 -33.64069 45.80825 
1 1 1    1    3    1 o  603.482   26.804  4589.62  403.942  4802.99  571.579  4376.72  570.942  613.571   37.484  584.984   39.312 28.58710 54.31864 
1 1 1    1    3    2 o  599.440   38.519  4590.51  573.550   0.0000   0.0000  4590.51  573.550  ?   ?   599.440   38.519 0.000000 38.51949 
1 1 1    1    3    6 o  205.881   17.998  535.778   91.600  535.778   91.600   0.0000   0.0000  205.881   17.998  ?   ?  0.000000 17.99756 
1 1 1    1    3    7 o  313.811   22.902  1246.38  178.234  1246.38  178.234   0.0000   0.0000  313.811   22.902  ?   ?  0.000000 22.90239 
1 1 1    1    3    8 o  709.937   31.357  6405.77  555.914  6215.68  785.951  6596.09  786.411  691.134   45.798  712.912   44.394 -21.77826 63.78331 
1 1 1    1    3    9 o  178.275   11.853  399.792   52.469  407.789   74.300  391.837   74.105  179.397   16.780  175.772   17.099 3.624542 23.95754 
1 1 1    1    3   10 o  286.740   14.900  1035.42  106.323  872.812  150.224  1198.64  150.502  261.522   23.245  307.634   19.694 -46.11237 30.46650 
1 1 1    1    3   11 o  304.165   22.579  1179.10  170.275   0.0000   0.0000  1179.10  170.275  ?   ?   304.165   22.579 0.000000 22.57878 
1 1 1    1    3   13 o  258.112   14.245  838.672   91.463  845.055  129.565  832.331  129.133  258.028   20.271  256.048   20.364 1.980530 28.73367 
1 1 1    1    3   14 o  258.093   14.340  837.708   92.057  793.148  130.349  882.047  130.027  250.058   21.071  264.010   19.868 -13.95204 28.96077 
1 1 1    1    3   15 o  873.318   38.081  9745.52  830.478  9153.41  1173.78 10339.03  1175.17  833.211   56.751  888.540   53.208 -55.32904 77.79308 
1 1 1    1    3   16 o  745.910   32.655  7052.12  608.256  6611.58  859.782  7493.52  860.628  714.377   48.483  762.382   45.411 -48.00452 66.42881 
1 1 1    1    3   17 o  530.468   34.611  3583.57  455.966  3583.57  455.966   0.0000   0.0000  530.468   34.611  ?   ?  0.000000 34.61052 
1 1 1    1    3   18 o  680.364   30.033  5847.19  510.252  5562.09  721.504  6132.44  721.706  657.801   44.180  691.786   41.976 -33.98505 60.94080 
1 1 1    1    3   19 o  419.946   19.924  2213.51  208.934  2127.48  295.813  2299.15  295.143  409.495   29.118  426.043   27.895 -16.54849 40.32367 
1 1 1    1    3   20 o  488.120   22.377  2995.82  272.765  3041.43  386.437  2950.53  385.061  489.094   31.813  481.592   32.204 7.502075 45.26769 
1 1 1    1    3   21 o  827.755   35.824  8725.48  740.505  7760.48  1046.26  9694.10  1048.21  768.953   54.846  864.103   48.777 -95.15039 73.39774 
1 1 1    1    3   22 o  250.529   20.059  794.293  124.437   0.0000   0.0000  794.293  124.437  ?   ?   250.529   20.059 0.000000 20.05859 
1 1 1    1    3   23 o  523.126   23.776  3458.48  310.601  3547.04  440.312  3370.77  438.207  525.597   33.725  512.005   34.474 13.59198 48.22700 
1 1 1    1    3   24 o  1029.85   36.881 13706.53  948.480 13610.34  1162.07 13898.49  1641.63  1016.99   45.758  998.707   66.200 18.28394 80.47449 
1 1 1    1    3   25 o  290.752   13.188  1061.19   95.756  1019.15  118.536  1140.15  162.458  283.981   16.790  299.211   21.895 -15.22971 27.59118 
1 1 1    1    3   26 o  347.688   18.425  1532.42  159.405  1532.42  159.405   0.0000   0.0000  347.688   18.425  ?   ?  0.000000 18.42529 
1 1 1    1    3   27 o  352.782   15.548  1570.04  136.973  1380.36  168.941  1933.93  233.999  328.883   20.676  387.989   24.274 -59.10623 31.88556 
1 1 1    1    3   28 f  446.795   17.955  2530.97  200.334  2350.26  246.391  2883.47  344.122  427.829   23.148  470.085   29.464 -42.25644 37.46936 
1 1 1    1    3   29 o  250.467   12.624  791.656   78.702  751.760   98.728  861.199  130.349  243.182   16.353  259.152   20.304 -15.97064 26.07065 
1 1 1    1    3   30 o  220.704   12.351  615.095   67.798  556.220   85.927  712.201  110.355  208.875   16.611  235.844   18.896 -26.96906 25.15948 
1 1 1    1    3   31 o  387.673   20.308  1925.19  195.915  1764.93  282.644  2073.41  271.806  364.848   31.326  398.236   27.500 -33.38821 41.68455 
1 1 1    1    3   32 o  233.864   12.227  690.699   71.155  687.451   91.203  695.751  113.749  232.434   15.807  232.626   19.768 -0.1918182 25.31104 
1 1 1    1    3   33 o  327.076   14.179  1352.22  115.808  1358.10  145.375  1341.99  191.582  326.141   17.919  321.384   24.046 4.757629 29.98783 
1 1 1    1    3   34 o  240.609   12.555  732.179   75.176  741.177   98.091  719.373  117.027  241.013   16.396  236.186   20.031 4.827225 25.88512 
1 1 1    1    3   35 o  195.790   18.349  493.909   88.667   0.0000   0.0000  493.909   88.667  ?   ?   195.790   18.349 0.000000 18.34910 
1 1 1    1    3   36 o  104.722   26.349  149.792   68.849  149.792   68.849   0.0000   0.0000  104.722   26.349  ?   ?  0.000000 26.34947 
1 1 1    1    3   37 o  109.922   12.776  155.109   34.415  197.241   60.939  135.379   41.701  121.763   20.788  101.493   17.059 20.26977 26.89120 
1 1 1    1    3   38 o  192.789   12.808  474.594   61.310  465.667   86.111  483.772   87.313  188.717   18.511  192.432   18.394 -3.715759 26.09565 
1 1 1    1    3   39 o  245.458   14.340  775.812   87.517  693.795  115.594  885.967  133.963  228.512   20.474  258.036   20.971 -29.52440 29.30856 
1 1 1    1    3   40 o  279.298   18.659  1033.96  129.387  851.120  204.064  1156.88  167.320  236.280   35.698  290.974   23.221 -54.69482 42.58599 
1 1 1    1    3   41 o  193.906   13.733  489.041   66.067  450.076   94.898  525.690   92.034  180.950   21.417  197.661   18.875 -16.71155 28.54732 
1 1 1    1    3   42 o  193.926   13.738  491.664   66.100  485.348   97.727  496.989   89.741  186.978   21.311  191.117   19.058 -4.139481 28.58938 
1 1 1    1    3   43 o  261.131   15.866  908.108  102.968  791.186  138.727  1051.54  153.653  234.527   24.026  272.297   22.807 -37.76978 33.12744 
1 1 1    1    3   44 o   75.080   31.705   63.961  102.035   63.961  102.035   0.0000   0.0000   75.080   31.705  ?   ?  0.000000 31.70498 
1 1 1    1    3   45 o  135.322   14.455  246.614   48.090  344.169   96.310  214.212   55.505  148.121   27.034  123.184   18.625 24.93727 32.82895 
1 1 1    1    4    0 o  773.224   33.849  7583.15  653.585  7810.71  924.632  7355.90  923.985  777.389   47.863  753.518   49.378 23.87158 68.76743 
1 1 1    1    4    1 o  586.878   26.240  4340.70  384.564  4427.74  543.963  4253.73  543.747  588.889   37.181  576.886   37.957 12.00281 53.13313 
1 1 1    1    4    2 o  229.131   13.224  659.248   75.346  703.824  106.599  614.745  106.512  236.201   18.213  220.468   19.549 15.73267 26.71880 
1 1 1    1    4    3 o  182.998   17.113  423.421   77.294   0.0000   0.0000  423.421   77.294  ?   ?   182.998   17.113 0.000000 17.11266 
1 1 1    1    4    8 o  716.737   46.089  6688.75  820.537  6688.75  820.537   0.0000   0.0000  716.737   46.089  ?   ?  0.000000 46.08888 
1 1 1    1    4    9 o  345.374   17.090  1498.87  147.399  1500.16  208.529  1497.58  208.379  343.550   24.467  343.251   24.471 0.2982788 34.60382 
1 1 1    1    4   10 o  155.143   11.455  303.199   44.065  245.178   62.356  361.075   62.279  138.309   18.519  168.912   14.918 -30.60237 23.78043 
1 1 1    1    4   11 o  457.996   21.346  2654.85  244.133  2543.99  345.196  2765.80  345.317  443.883   31.344  463.549   29.992 -19.66623 43.38131 
1 1 1    1    4   12 o  383.658   18.551  1856.85  177.733  1771.22  251.373  1942.45  251.332  371.574   27.282  389.681   25.977 -18.10669 37.67054 
1 1 1    1    4   13 o  182.297   17.202  421.799   77.384   0.0000   0.0000  421.799   77.384  ?   ?   182.297   17.202 0.000000 17.20221 
1 1 1    1    4   14 o  456.452   21.137  2625.95  240.924  2391.17  340.569  2861.14  340.869  431.938   31.798  473.684   28.956 -41.74585 43.00641 
1 1 1    1    4   15 o  622.599   27.747  4902.59  431.401  4976.58  610.444  4828.77  609.742  622.062   39.502  612.455   40.089 9.607056 56.28081 
1 1 1    1    4   16 o  466.226   21.602  2732.41  251.499  2679.94  355.892  2784.75  355.455  459.032   31.233  468.138   30.574 -9.105408 43.70665 
1 1 1    1    4   17 o  1070.92   46.688 14734.96  1248.57 14333.34  1765.41 15136.88  1766.08  1037.68   68.514  1068.35   66.529 -30.66772 95.50002 
1 1 1    1    4   18 o  762.505   48.444  7505.99  917.649  7505.99  917.649   0.0000   0.0000  762.505   48.444  ?   ?  0.000000 48.44432 
1 1 1    1    4   19 o  444.171   20.818  2477.21  230.907  2387.50  326.876  2566.56  326.229  433.663   30.376  449.983   29.189 -16.31995 42.12751 
1 1 1    1    4   20 o  882.851   38.506  9928.44  848.913  9445.34  1200.27 10411.99  1200.82  849.563   56.905  894.129   54.035 -44.56604 78.47236 
1 1 1    1    4   21 o  1170.17   50.636 17747.95  1479.64 16026.69  2090.35 19476.39  2094.71  1083.26   77.792  1204.35   69.951 -121.0909 104.6172 
1 1 1    1    4   22 o  280.461   15.471  989.065  107.934  909.542  153.649  1066.54  151.653  267.702   23.214  290.432   21.053 -22.73053 31.33870 
1 1 1    1    4   23 o  235.364   19.417  701.541  113.102   0.0000   0.0000  701.541  113.102  ?   ?   235.364   19.417 0.000000 19.41665 
1 1 1    1    4   24 o  371.162   18.395  1734.06  170.497  1663.14  242.251  1803.68  240.002  360.839   27.082  376.266   25.696 -15.42746 37.33282 
1 1 1    1    4   25 o  410.108   19.129  2122.07  195.906  2268.83  278.988  1979.32  275.157  421.204   26.662  392.729   28.245 28.47467 38.84132 
1 1 1    1    4   26 o  519.685   19.243  3415.08  249.719  3477.77  306.864  3292.15  429.681  522.817   23.504  502.283   34.465 20.53494 41.71698 
1 1 1    1    4   27 o  333.130   14.810  1397.88  123.202  1248.82  152.013  1683.23  210.320  313.279   19.528  362.498   23.358 -49.21924 30.44618 
1 1 1    1    4   28 o  599.451   40.817  4844.42  607.373  4844.42  607.373   0.0000   0.0000  599.451   40.817  ?   ?  0.000000 40.81728 
1 1 1    1    4   29 o  196.975   11.793  489.490   57.742  440.724   73.483  568.203   93.358  186.046   15.972  210.937   17.892 -24.89151 23.98374 
1 1 1    1    4   30 o   73.088   11.977   68.917   21.102   90.065   34.564   56.350   26.644   82.793   17.276   65.454   16.349 17.33926 23.78566 
1 1 1    1    4   31 o  360.746   15.451  1646.22  139.187  1569.88  172.490  1788.71  235.649  350.308   19.799  371.087   25.586 -20.77921 32.35180 
1 1 1    1    4   32 o  146.023   12.285  270.369   44.379  213.845   60.376  336.805   65.455  128.135   19.482  162.219   16.383 -34.08340 25.45499 
1 1 1    1    4   33 o  404.644   14.749  2070.74  149.030  2279.50  186.165  1698.25  248.676  423.408   17.607  359.667   27.906 63.74194 32.99624 
1 1 1    1    4   34 f  165.594   13.049  348.094   53.523  267.020   72.652  444.326   79.152  142.898   20.985  186.177   17.220 -43.27878 27.14564 
1 1 1    1    4   35 o  150.216   18.063  291.705   66.399  291.705   66.399   0.0000   0.0000  150.216   18.063  ?   ?  0.000000 18.06299 
1 1 1    1    4   36 o   88.209   14.116  100.924   30.045   77.141   53.559  111.844   36.293   77.298   24.627   92.450   16.317 -15.15297 29.54239 
1 1 1    1    4   37 o  284.085   24.836  1067.19  174.420  1067.19  174.420   0.0000   0.0000  284.085   24.836  ?   ?  0.000000 24.83606 
1 1 1    1    4   38 o  210.593   13.473  566.188   70.484  512.661   95.909  629.046  103.933  197.895   19.668  219.639   19.141 -21.74364 27.44456 
1 1 1    1    4   39 o  197.247   13.360  498.642   65.418  455.308   91.126  544.724   93.969  185.511   19.986  203.769   18.675 -18.25813 27.35316 
1 1 1    1    4   40 o  126.922   14.017  209.344   43.685  152.292   71.048  244.024   55.394  102.962   27.219  136.112   16.644 -33.15029 31.90475 
1 1 1    1    4   41 o  159.968   16.652  338.521   65.543  165.750  132.728  394.239   75.374  103.649   38.485  172.079   17.798 -68.42941 42.40093 
1 1 1    1    4   42 o  111.963   13.942  165.056   38.136  203.325   75.179  151.796   44.253  117.614   26.261  105.852   17.342 11.76217 31.47047 
1 1 1    1    4   43 o  123.174   14.803  201.551   44.620  154.084   80.767  222.402   53.530   99.176   30.031  128.209   17.149 -29.03297 34.58226 
1 1 1    1    4   44 o   38.396   14.823   13.875   20.146   75.747   80.831   9.7765   20.803   75.403   29.528   36.789   14.791 38.61406 33.02536 
1 1 1    1    4   45 o   88.679   35.503  132.725  119.301  132.725  119.301   0.0000   0.0000   88.679   35.503  ?   ?  0.000000 35.50319 
1 1 1    1    4   46 o   34.364   14.318   5.6836   20.385   47.116   89.866   3.4361   20.931   67.857   29.234   33.798   14.321 34.05864 32.55333 
1 1 1    1    5    0 o  984.133   42.985 12430.62  1056.37 12752.54  1494.39 12109.09  1493.48  981.557   61.274  954.865   62.987 26.69250 87.87420 
1 1 1    1    5    1 o  343.762   16.967  1481.71  145.653  1541.59  206.052  1421.90  205.916  349.147   23.775  335.066   24.786 14.08084 34.34480 
1 1 1    1    5    2 o  596.759   26.637  4492.06  396.944  4610.71  561.517  4373.54  561.209  600.461   37.638  584.368   38.677 16.09271 53.96782 
1 1 1    1    5    3 o  425.452   15.988  2268.40  169.866  2608.96  294.652  2098.88  207.889  454.159   26.090  408.779   20.365 45.38074 33.09754 
1 1 1    1    5    4 o  519.826   33.967  3444.65  438.505   0.0000   0.0000  3444.65  438.505  ?   ?   519.826   33.967 0.000000 33.96730 
1 1 1    1    5    9 o  520.883   34.353  3492.40  444.331  3492.40  444.331   0.0000   0.0000  520.883   34.353  ?   ?  0.000000 34.35268 
1 1 1    1    5   10 o  578.708   38.026  4359.94  546.466   0.0000   0.0000  4359.94  546.466  ?   ?   578.708   38.026 0.000000 38.02563 
1 1 1    1    5   11 o  522.859   34.775  3551.18  451.458  3551.18  451.458   0.0000   0.0000  522.859   34.775  ?   ?  0.000000 34.77493 
1 1 1    1    5   12 o  148.025   10.781  275.984   39.577  319.523   56.273  233.370   55.672  158.845   14.341  135.116   16.867 23.72916 22.14004 
1 1 1    1    5   13 o  394.534   18.940  1962.18  186.604  1851.29  263.912  2073.05  263.884  380.125   28.000  402.923   26.372 -22.79758 38.46369 
1 1 1    1    5   14 o  156.717   16.332  311.704   62.977   0.0000   0.0000  311.704   62.977  ?   ?   156.717   16.332 0.000000 16.33220 
1 1 1    1    5   15 o  195.565   12.410  480.711   60.293  484.517   85.688  476.979   84.854  195.673   17.729  194.138   17.697 1.534760 25.05004 
1 1 1    1    5   16 o  349.116   17.334  1528.54  151.118  1409.84  213.860  1646.92  213.566  333.411   25.889  360.910   23.830 -27.49924 35.18724 
1 1 1    1    5   17 o  771.614   33.489  7545.88  645.279  6855.00  911.805  8239.06  913.321  727.024   50.537  799.874   45.917 -72.85028 68.28165 
1 1 1    1    5   18 o  1151.77   50.253 17102.03  1445.38 16642.95  2043.72 17561.42  2044.41  1114.12   73.877  1146.76   71.752 -32.64746 102.9866 
1 1 1    1    5   19 o  304.015   22.619  1167.89  170.491  1167.89  170.491   0.0000   0.0000  304.015   22.619  ?   ?  0.000000 22.61908 
1 1 1    1    5   20 o  632.631   28.143  5049.97  444.609  5041.31  629.261  5058.61  628.286  627.416   40.377  628.551   40.239 -1.134888 57.00469 
1 1 1    1    5   21 o  621.468   27.653  4875.36  429.158  4398.00  606.802  5353.09  607.040  584.805   41.827  647.154   37.726 -62.34882 56.32785 
1 1 1    1    5   22 o  253.268   14.861  806.499   93.580  674.506  133.210  935.106  131.490  230.236   23.499  272.149   19.477 -41.91306 30.52103 
1 1 1    1    5   23 o  487.172   22.691  2992.38  276.044  2724.32  390.828  3259.22  389.944  460.828   34.206  505.402   31.047 -44.57333 46.19519 
1 1 1    1    5   24 o  285.978   21.717  1037.78  153.934   0.0000   0.0000  1037.78  153.934  ?   ?   285.978   21.717 0.000000 21.71733 
1 1 1    1    5   25 o  563.096   25.631  4029.34  360.414  4016.19  510.879  4042.37  508.533  555.846   37.017  557.842   36.711 -1.995361 52.13382 
1 1 1    1    5   26 o  625.309   28.207  5007.74  440.451  5072.11  624.237  4943.93  621.556  619.979   40.543  611.759   40.922 8.220642 57.60565 
1 1 1    1    5   27 o  281.394   15.455  1000.59  108.188  977.612  155.061  1022.38  151.021  276.247   22.678  282.884   21.540 -6.637085 31.27741 
1 1 1    1    5   28 o  464.712   18.064  2734.76  209.626  2677.90  257.829  2845.66  360.057  458.071   22.540  466.781   31.067 -8.710236 38.38198 
1 1 1    1    5   29 o  426.279   30.006  2376.66  317.371  2376.66  317.371   0.0000   0.0000  426.279   30.006  ?   ?  0.000000 30.00554 
1 1 1    1    5   30 o  297.695   13.043  1116.12   96.963  1131.86  121.076  1087.98  161.911  298.643   16.297  290.668   22.481 7.974609 27.76661 
1 1 1    1    5   31 o  564.878   21.547  4082.95  303.948  3975.43  373.634  4293.33  522.625  553.561   27.029  564.849   37.261 -11.28845 46.03200 
1 1 1    1    5   32 o  111.537   11.341  158.019   31.149  168.214   46.422  149.671   42.010  114.017   16.809  107.574   16.136 6.442856 23.30033 
1 1 1    1    5   33 o  321.401   14.218  1304.76  114.110  1280.91  142.921  1346.70  189.518  316.824   18.140  322.468   23.701 -5.644135 29.84623 
1 1 1    1    5   34 o  136.374   16.459  239.234   54.920   0.0000   0.0000  239.234   54.920  ?   ?   136.374   16.459 0.000000 16.45948 
1 1 1    1    5   35 o  264.963   13.185  886.326   87.241  874.342  112.131  904.706  138.869  261.606   17.261  264.632   21.192 -3.025208 27.33228 
1 1 1    1    5   36 o  169.237   12.067  363.008   50.664  376.694   73.062  350.330   70.317  171.091   17.340  164.940   17.331 6.150787 24.51637 
1 1 1    1    5   37 o  239.686   13.333  729.527   79.488  704.129  105.335  763.120  121.141  233.789   18.186  242.594   20.180 -8.805099 27.16517 
1 1 1    1    5   38 o   77.461   27.631   72.101   67.464   72.101   67.464   0.0000   0.0000   77.461   27.631  ?   ?  0.000000 27.63102 
1 1 1    1    5   39 o  210.950   12.188  566.757   63.929  648.709   90.900  486.550   89.927  224.019   16.362  192.714   18.931 31.30449 25.02182 
1 1 1    1    5   40 o   56.020   15.838   41.656   23.143   17.840   61.129   45.641   25.004   59.345   24.767   58.527   16.433 0.8180275 29.72268 
1 1 1    1    5   41 o   96.182   14.641  122.010   34.055  104.469   68.282  127.818   39.290   85.925   27.853   97.758   16.694 -11.83309 32.47250 
1 1 1    1    5   42 o   91.476   16.264  112.632   35.792   88.601  118.644  115.037   37.541   86.132   35.073   92.210   16.927 -6.078979 38.94424 
1 1 1    1    5   43 o  152.772   15.014  308.381   56.540  209.068   91.185  370.415   72.066  115.502   30.976  165.869   17.671 -50.36694 35.66224 
1 1 1    1    5   44 o   31.291   13.072   3.4351   17.053   27.746   74.994   2.1095   17.512   63.701   27.055   31.054   13.125 32.64635 30.07106 
1 1 1    1    5   45 o  106.828   16.018  155.348   41.414  125.323   95.618  162.282   45.947   88.025   32.668  108.350   17.585 -20.32455 37.10042 
1 1 1    1    5   46 o   90.700   36.442  149.728  126.189  149.728  126.189   0.0000   0.0000   90.700   36.442  ?   ?  0.000000 36.44244 
1 1 1    1    6    0 o  277.722   21.183  975.997  145.804  975.997  145.804   0.0000   0.0000  277.722   21.183  ?   ?  0.000000 21.18349 
1 1 1    1    6    1 o  397.993   18.922  1989.35  188.063  2083.41  266.078  1895.46  265.845  405.341   26.431  386.239   27.748 19.10190 38.32168 
1 1 1    1    6    2 o  858.854   30.478  9345.96  653.663  9110.81  1131.72  9463.67  800.731  833.097   54.703  861.166   37.235 -28.06915 66.17309 
1 1 1    1    6    3 o  319.481   13.050  1277.84  104.116  1426.81  180.447  1203.49  127.475  336.129   21.612  309.360   16.561 26.76923 27.22800 
1 1 1    1    6    4 o   76.190   7.6683   73.281   14.392   80.072   20.367   66.509   20.339   79.318   10.544   71.984   11.718 7.333267 15.76323 
1 1 1    1    6    5 o  715.263   21.548  6436.39  384.878  6371.84  544.234  6500.98  544.365  708.903   30.743  716.158   30.439 -7.255127 43.26284 
1 1 1    1    6    6 o  439.014   20.488  2423.85  224.610  2341.25  317.575  2506.53  317.717  428.757   29.847  443.992   28.812 -15.23477 41.48442 
1 1 1    1    6   10 o  531.637   35.212  3666.06  464.821  3666.06  464.821   0.0000   0.0000  531.637   35.212  ?   ?  0.000000 35.21159 
1 1 1    1    6   11 o  445.335   20.880  2509.08  232.204  2462.78  328.401  2555.37  328.371  437.115   30.272  445.555   29.683 -8.440155 42.39642 
1 1 1    1    6   12 o  561.690   25.518  4015.97  357.930  3951.27  506.205  4080.65  506.173  550.269   37.054  559.646   36.417 -9.377075 51.95403 
1 1 1    1    6   13 o  327.510   16.613  1352.46  135.426  1332.32  191.663  1372.53  191.380  323.375   23.904  328.355   23.495 -4.980072 33.51759 
1 1 1    1    6   14 o  831.061   36.535  8870.98  758.224  8346.20  1071.68  9396.97  1072.91  791.124   54.580  842.794   51.222 -51.67017 74.85069 
1 1 1    1    6   15 o  567.694   25.586  4069.35  362.721  4025.76  513.161  4112.88  512.770  560.157   36.892  566.390   36.448 -6.232666 51.85976 
1 1 1    1    6   16 o  531.912   34.696  3609.87  458.342   0.0000   0.0000  3609.87  458.342  ?   ?   531.912   34.696 0.000000 34.69633 
1 1 1    1    6   17 o  1313.90   57.777 22525.75  1895.67 21975.51  2680.36 23076.41  2681.41  1263.82   85.431  1298.33   83.141 -34.51941 119.2093 
1 1 1    1    6   18 o  743.352   32.609  6993.85  605.314  7095.90  856.587  6892.06  855.502  742.292   46.445  731.197   47.103 11.09521 66.15020 
1 1 1    1    6   19 o  699.941   30.875  6191.55  539.650  6145.98  763.557  6237.03  762.805  691.600   44.447  696.895   44.059 -5.294983 62.58393 
1 1 1    1    6   20 o  659.478   29.069  5490.71  478.723  4990.02  676.699  5992.35  677.335  622.947   43.779  684.580   39.793 -61.63312 59.16117 
1 1 1    1    6   21 o  707.221   45.188  6448.01  793.875  6448.01  793.875   0.0000   0.0000  707.221   45.188  ?   ?  0.000000 45.18777 
1 1 1    1    6   22 o  306.766   16.109  1182.97  122.973  1146.32  174.898  1218.81  172.940  300.817   23.468  310.418   22.462 -9.600769 32.48512 
1 1 1    1    6   23 o  166.416   11.769  348.381   48.593  374.868   70.930  324.955   66.707  172.035   16.722  160.024   16.951 12.01114 23.81094 
1 1 1    1    6   24 o  432.555   20.446  2357.25  220.854  2349.78  313.525  2364.61  311.157  428.859   29.454  430.325   29.127 -1.465027 41.42390 
1 1 1    1    6   25 o  575.178   26.220  4203.78  376.610  4082.08  533.597  4324.58  531.623  560.100   38.382  577.339   37.070 -17.23865 53.36058 
1 1 1    1    6   26 o  109.970   15.632  155.102   41.720   0.0000   0.0000  155.102   41.720  ?   ?   109.970   15.632 0.000000 15.63198 
1 1 1    1    6   27 o  810.945   36.539  8609.00  739.950  8702.38  1047.91  8516.14  1044.99  793.873   53.166  784.617   53.656 9.255981 75.53570 
1 1 1    1    6   28 o  200.418   12.964  507.112   64.536  515.915   94.390  499.385   88.435  200.897   19.042  197.847   18.100 3.049698 26.27224 
1 1 1    1    6   29 o  557.331   25.904  3998.95  360.528  3894.55  511.461  4102.06  508.282  539.457   38.214  554.956   36.887 -15.49884 53.11298 
1 1 1    1    6   30 f   74.725   21.437   73.020   42.084   73.020   42.084   0.0000   0.0000   74.725   21.437  ?   ?  0.000000 21.43685 
1 1 1    1    6   31 o  442.216   17.710  2481.59  195.573  2396.96  241.191  2644.07  334.178  431.980   22.436  448.920   29.982 -16.93994 37.44733 
1 1 1    1    6   32 o  368.652   15.134  1717.97  139.322  1718.42  173.167  1717.14  234.598  366.961   18.962  363.402   26.024 3.558655 32.19927 
1 1 1    1    6   33 o  238.984   12.747  721.586   75.800  681.718   96.862  784.574  121.749  231.237   16.891  247.204   19.891 -15.96681 26.09515 
1 1 1    1    6   34 o  313.616   12.540  1239.34   98.209  1386.71  125.308  1004.68  158.126  331.044   15.158  278.557   22.936 52.48688 27.49216 
1 1 1    1    6   35 o  231.746   16.588  685.261   95.361  519.919  150.304  796.656  123.371  195.990   31.800  248.787   20.028 -52.79730 37.58153 
1 1 1    1    6   36 o  261.200   12.411  860.574   80.955  921.158  105.949  775.578  125.492  268.940   15.846  244.969   20.708 23.97081 26.07526 
1 1 1    1    6   37 o  126.524   12.685  204.211   39.538  211.025   64.549  200.120   50.019  126.364   21.207  124.326   16.520 2.038193 26.88212 
1 1 1    1    6   38 o  168.153   13.661  360.993   56.866  284.759   81.898  431.966   79.021  146.096   23.226  182.814   17.524 -36.71812 29.09522 
1 1 1    1    6   39 o   98.120   26.724  133.535   67.253  133.535   67.253   0.0000   0.0000   98.120   26.724  ?   ?  0.000000 26.72442 
1 1 1    1    6   40 f   58.958   16.091   46.284   24.351   38.267   62.486   47.720   26.442   65.369   25.848   59.902   16.927 5.467075 30.89737 
1 1 1    1    6   41 o  131.876   13.009  224.734   42.282  272.219   75.169  202.757   51.139  141.202   22.038  123.731   17.000 17.47079 27.83271 
1 1 1    1    6   42 f  111.464   14.616  163.527   39.702  118.287   74.422  181.524   46.939   90.088   29.065  116.720   16.569 -26.63238 33.45618 
1 1 1    1    6   43 o  106.695   15.385  151.685   39.807   78.517   77.976  177.475   46.293   77.600   29.356  114.996   16.602 -37.39541 33.72480 
1 1 1    1    6   44 o   62.915   17.117   54.563   27.608 -18.0667  123.293   58.397   28.328   69.152   31.670   65.017   17.187 4.135353 36.03320 
1 1 1    1    6   45 o   91.589   15.747  114.065   34.717  141.255   88.619  109.135   37.733   93.368   31.771   88.660   17.663 4.707375 36.35128 
1 1 1    1    6   46 o   97.026   16.478  129.794   38.496  114.375   99.227  132.527   41.767   84.552   32.825   97.307   17.846 -12.75483 37.36277 
1 1 1    1    7    0 o  537.599   19.530  3637.31  262.188  3224.91  453.320  3844.60  321.398  500.069   36.555  551.778   23.325 -51.70898 43.36275 
1 1 1    1    7    1 o  571.673   20.801  4114.75  296.943  3952.33  513.898  4196.17  363.828  554.016   37.364  576.156   25.287 -22.14044 45.11644 
1 1 1    1    7    2 o  765.445   33.486  7467.04  640.064  7030.19  904.358  7905.50  906.019  732.360   49.745  778.880   46.799 -46.52032 68.29852 
1 1 1    1    7    3 o  166.695   9.2266  348.544   38.258  321.178   66.067  362.350   46.926  159.093   16.888  169.802   11.128 -10.70932 20.22482 
1 1 1    1    7    4 o  461.480   14.977  2669.84  172.596  2799.03  244.228  2540.94  243.948  471.640   20.736  449.197   21.747 22.44324 30.04919 
1 1 1    1    7    5 o  568.777   17.917  4063.28  254.489  4229.67  360.093  3897.24  359.711  578.713   24.917  555.241   25.943 23.47205 35.97104 
1 1 1    1    7    6 o  371.404   12.684  1727.74  117.643  1743.23  166.422  1712.26  166.322  372.488   17.892  369.145   18.043 3.342651 25.40961 
1 1 1    1    7    7 o  427.125   20.037  2297.13  213.719  2186.29  302.135  2408.13  302.353  413.705   29.438  434.737   28.000 -21.03192 40.62697 
1 1 1    1    7    8 o  475.516   31.726  2902.27  374.569  2902.27  374.569   0.0000   0.0000  475.516   31.726  ?   ?  0.000000 31.72611 
1 1 1    1    7    9 f  264.111   20.622  885.961  134.930   0.0000   0.0000  885.961  134.930  ?   ?   264.111   20.622 0.000000 20.62198 
1 1 1    1    7   10 o  361.534   25.530  1671.17  229.012   0.0000   0.0000  1671.17  229.012  ?   ?   361.534   25.530 0.000000 25.53045 
1 1 1    1    7   11 f  240.710   13.657  729.903   81.753  761.766  115.680  698.110  115.552  244.920   19.064  234.210   19.947 10.71080 27.59221 
1 1 1    1    7   12 o  164.491   9.3229  339.776   38.138  360.962   66.163  329.234   46.672  168.673   15.895  161.649   11.640 7.024048 19.70147 
1 1 1    1    7   13 o  111.433   10.628  156.896   29.217  151.431   41.493  162.271   41.146  108.675   15.748  112.702   14.992 -4.027000 21.74329 
1 1 1    1    7   14 o  873.712   38.432  9827.67  838.528  9344.65  1185.28 10311.64  1186.44  835.304   57.167  880.577   54.218 -45.27301 78.78854 
1 1 1    1    7   15 o  412.944   19.503  2142.96  201.115  1943.64  284.332  2342.54  284.507  390.626   29.363  429.752   26.642 -39.12613 39.64853 
1 1 1    1    7   16 o  1131.21   49.573 16556.77  1400.36 16225.89  1980.17 16887.81  1980.65  1096.11   72.756  1120.11   71.179 -24.00073 101.7840 
1 1 1    1    7   17 o  532.523   34.685  3612.70  458.729   0.0000   0.0000  3612.70  458.729  ?   ?   532.523   34.685 0.000000 34.68520 
1 1 1    1    7   18 o  555.488   25.070  3883.93  347.758  3740.75  491.957  4026.93  491.650  541.532   36.594  562.393   35.185 -20.86023 50.76498 
1 1 1    1    7   19 o  563.077   25.375  3991.22  356.806  3920.84  504.947  4061.41  504.255  554.492   36.674  564.613   35.951 -10.12122 51.35642 
1 1 1    1    7   20 o  666.860   29.550  5615.94  492.086  5548.93  696.357  5682.78  695.472  657.589   42.636  665.747   42.049 -8.157898 59.88274 
1 1 1    1    7   21 o  545.536   24.612  3747.20  335.296  3803.88  474.938  3690.88  473.427  546.261   35.001  537.913   35.443 8.348328 49.81218 
1 1 1    1    7   22 o  534.076   34.986  3642.79  464.023  3642.79  464.023   0.0000   0.0000  534.076   34.986  ?   ?  0.000000 34.98587 
1 1 1    1    7   23 f  387.684   18.767  1888.30  181.684  1873.27  257.990  1903.09  255.902  383.940   27.082  387.108   26.634 -3.167847 37.98450 
1 1 1    1    7   24 o  479.661   22.497  2903.07  269.468  2526.12  381.503  3278.36  380.668  442.978   34.767  506.748   30.219 -63.76974 46.06461 
1 1 1    1    7   25 o  386.778   18.372  1883.47  177.452  1986.68  252.634  1782.95  249.308  394.861   25.762  373.638   26.900 21.22327 37.24640 
1 1 1    1    7   26 o  349.042   17.144  1534.32  149.434  1600.40  213.243  1470.55  209.473  354.177   24.256  339.244   24.901 14.93332 34.76221 
1 1 1    1    7   27 o  425.003   29.196  2332.16  307.982   0.0000   0.0000  2332.16  307.982  ?   ?   425.003   29.196 0.000000 29.19608 
1 1 1    1    7   28 o  345.616   16.965  1508.75  146.418  1597.08  209.514  1424.43  204.702  352.846   23.919  332.805   24.809 20.04132 34.46206 
1 1 1    1    7   29 o  369.752   18.813  1738.47  173.136  1645.04  246.911  1828.84  242.841  355.760   28.020  376.218   26.008 -20.45779 38.22977 
1 1 1    1    7   30 o  266.809   15.260  901.672  101.250  865.941  146.334  934.487  140.238  259.172   22.844  269.958   20.967 -10.78693 31.00748 
1 1 1    1    7   31 o  525.034   20.185  3513.39  264.652  3422.41  325.501  3690.86  454.592  515.205   25.300  526.773   34.753 -11.56836 42.98689 
1 1 1    1    7   32 o  546.521   37.885  4028.24  513.851  4028.24  513.851   0.0000   0.0000  546.521   37.885  ?   ?  0.000000 37.88512 
1 1 1    1    7   33 o  178.627   17.500  408.740   77.059   0.0000   0.0000  408.740   77.059  ?   ?   178.627   17.500 0.000000 17.50012 
1 1 1    1    7   34 o  161.626   16.388  334.385   65.229  334.385   65.229   0.0000   0.0000  161.626   16.388  ?   ?  0.000000 16.38799 
1 1 1    1    7   35 o  160.511   11.927  326.170   47.466  323.163   67.082  329.185   67.172  158.595   17.214  160.122   17.062 -1.526825 24.23737 
1 1 1    1    7   36 o  332.474   17.513  1410.89  144.886  1483.79  218.371  1353.56  193.649  336.544   26.190  322.451   24.226 14.09332 35.67670 
1 1 1    1    7   37 f  307.791   13.833  1198.82  106.319  1228.31  136.421  1153.19  169.678  309.769   17.709  297.611   23.010 12.15811 29.03558 
1 1 1    1    7   38 o  145.510   13.299  270.290   47.790  226.238   73.220  302.984   63.079  130.004   23.415  153.190   16.763 -23.18622 28.79693 
1 1 1    1    7   39 o   59.649   16.126   47.075   24.595  -9.4651   59.394   58.777   27.021   53.059   23.297   66.463   16.385 -13.40453 28.48186 
1 1 1    1    7   40 o  235.898   13.767  712.500   80.748  674.755  109.000  758.410  120.213  226.777   19.435  240.025   20.245 -13.24831 28.06411 
1 1 1    1    7   41 o  157.007   28.438  350.087  107.392  350.087  107.392   0.0000   0.0000  157.007   28.438  ?   ?  0.000000 28.43769 
1 1 1    1    7   42 o  249.219   13.712  802.388   85.006  831.055  117.018  770.356  123.694  249.958   18.886  238.954   20.941 11.00464 28.19941 
1 1 1    1    7   43 o   63.729   15.799   55.185   25.017  101.158   73.169   49.099   26.622   84.085   28.866   60.135   16.982 23.94997 33.49070 
1 1 1    1    7   44 o   95.963   15.008  123.076   34.786  141.376   79.670  118.766   38.667   95.860   29.972   93.309   17.229 2.550591 34.57146 
1 1 1    1    7   45 o  104.884   16.760  149.685   42.418   56.135  131.304  160.586   44.821   79.902   34.872  108.528   17.105 -28.62582 38.84121 
1 1 1    1    7   46 o  118.206   15.939  189.505   45.848  141.371  102.551  201.530   51.256   91.856   33.883  121.030   17.465 -29.17343 38.11923 
1 1 1    1    7   47 o   68.588   17.575   66.956   30.238   90.570   97.142   64.423   31.819   78.220   31.781   67.024   18.435 11.19606 36.74058 
1 1 1    1    8    0 o  319.875   11.839  1282.43   94.570  949.709  162.872  1451.66  116.157  272.617   24.175  340.111   13.676 -67.49451 27.77568 
1 1 1    1    8    1 o  426.479   16.167  2285.80  172.183  2170.21  297.833  2343.83  211.020  411.597   29.166  431.203   19.597 -19.60684 35.13801 
1 1 1    1    8    2 o  414.848   15.911  2161.52  164.827  2094.42  285.206  2195.16  201.972  404.834   28.391  417.473   19.374 -12.63922 34.37172 
1 1 1    1    8    3 o  236.552   13.382  703.676   78.726  667.544  111.047  740.188  111.628  229.431   19.569  241.844   18.627 -12.41270 27.01704 
1 1 1    1    8    4 o  565.603   17.654  4021.79  249.341  4035.00  352.643  4008.58  352.601  564.593   25.012  562.716   25.092 1.876404 35.42928 
1 1 1    1    8    5 o  703.600   21.851  6247.03  383.935  6385.70  543.130  6108.53  542.802  707.728   30.732  691.877   31.417 15.85138 43.94830 
1 1 1    1    8    6 o  555.268   17.556  3877.63  243.439  3937.33  344.376  3818.00  344.173  557.551   24.734  548.919   25.108 8.632813 35.24498 
1 1 1    1    8    7 o  513.716   16.148  3316.65  207.153  3072.60  292.748  3561.41  293.171  492.581   23.799  530.826   22.117 -38.24411 32.48928 
1 1 1    1    8    8 o   96.519   10.429  118.011   24.737   0.0000   0.0000  118.011   24.737  ?   ?    96.519   10.429 0.000000 10.42906 
1 1 1    1    8    9 o  183.366   17.195  427.093   77.815  427.093   77.815   0.0000   0.0000  183.366   17.195  ?   ?  0.000000 17.19479 
1 1 1    1    8   10 o  363.649   17.752  1667.21  161.205  1611.73  227.880  1722.78  228.077  354.740   25.903  367.117   25.028 -12.37717 36.01928 
1 1 1    1    8   11 o  660.295   43.526  5780.01  713.668  5780.01  713.668   0.0000   0.0000  660.295   43.526  ?   ?  0.000000 43.52619 
1 1 1    1    8   12 o  156.056   10.649  306.461   41.251  191.451   58.166  422.843   58.511  121.631   19.834  183.150   12.875 -61.51810 23.64622 
1 1 1    1    8   13 o  265.492   10.955  882.665   72.631  629.222  125.433  1010.51   89.086  221.922   22.966  283.938   12.564 -62.01581 26.17838 
1 1 1    1    8   14 o  319.336   12.770  1277.43  101.833  1011.55  176.057  1411.10  124.834  281.740   25.293  335.431   14.903 -53.69144 29.35748 
1 1 1    1    8   15 o  847.920   30.135  9112.36  638.092  9043.22  1105.26  9146.93  781.483  829.981   53.613  846.355   36.976 -16.37439 65.12744 
1 1 1    1    8   16 o  295.367   15.386  1096.00  113.092  1131.91  160.269  1060.39  159.606  299.310   21.587  289.542   22.244 9.768616 30.99730 
1 1 1    1    8   17 o  493.371   22.590  3060.09  278.315  2842.69  393.562  3277.57  393.631  472.448   33.577  508.124   31.173 -35.67563 45.81664 
1 1 1    1    8   18 o  564.967   36.530  4069.75  512.622   0.0000   0.0000  4069.75  512.622  ?   ?   564.967   36.530 0.000000 36.53043 
1 1 1    1    8   19 o  920.484   40.131 10796.40  922.464 10693.94  1304.81 10898.78  1304.32  904.600   58.068  913.676   57.459 -9.076111 81.69124 
1 1 1    1    8   20 o  358.593   17.448  1611.94  156.243  1674.18  221.699  1550.52  220.230  363.942   24.537  350.030   25.368 13.91162 35.29276 
1 1 1    1    8   21 o  567.151   25.502  4052.34  361.176  3627.26  510.735  4477.56  510.824  532.187   38.696  592.974   34.648 -60.78741 51.94078 
1 1 1    1    8   22 o  478.436   22.016  2879.06  263.037  2921.11  372.904  2837.41  371.084  479.151   31.338  472.117   31.659 7.034729 44.54612 
1 1 1    1    8   23 o  298.342   22.606  1127.45  167.165  1127.45  167.165   0.0000   0.0000  298.342   22.606  ?   ?  0.000000 22.60576 
1 1 1    1    8   24 o  475.052   22.288  2846.36  264.399  2648.47  374.626  3042.77  373.211  454.322   33.251  488.041   30.781 -33.71823 45.31126 
1 1 1    1    8   25 o  417.557   20.329  2198.67  211.975  1757.81  300.221  2636.94  299.336  369.068   32.921  454.999   26.459 -85.93051 42.23575 
1 1 1    1    8   26 o  559.153   25.071  3973.86  350.075  4178.82  496.806  3771.72  493.374  567.565   35.227  538.104   36.940 29.46057 51.04386 
1 1 1    1    8   27 o  453.710   20.673  2607.39  234.228  2815.71  333.388  2404.32  329.150  467.614   28.689  430.979   30.786 36.63461 42.08136 
1 1 1    1    8   28 o  330.661   24.113  1403.08  197.731   0.0000   0.0000  1403.08  197.731  ?   ?   330.661   24.113 0.000000 24.11264 
1 1 1    1    8   29 o  242.502   15.311  744.668   92.246  600.543  132.933  878.529  128.112  214.981   25.242  262.330   19.700 -47.34921 32.01973 
1 1 1    1    8   30 o  231.057   14.174  675.396   81.388  650.684  118.610  697.387  111.885  224.913   21.375  233.508   19.362 -8.595657 28.84080 
1 1 1    1    8   31 o  405.161   19.718  2089.53  199.495  2092.21  285.115  2086.96  279.234  400.266   28.716  400.118   28.125 0.1486816 40.19480 
1 1 1    1    8   32 o  275.442   12.127  954.564   83.414  1015.99  105.675  853.023  135.864  283.215   14.995  257.521   21.319 25.69431 26.06447 
1 1 1    1    8   33 o  295.275   23.891  1128.66  174.650  1128.66  174.650   0.0000   0.0000  295.275   23.891  ?   ?  0.000000 23.89074 
1 1 1    1    8   34 o  314.090   14.716  1246.65  115.426  1159.32  144.626  1399.86  191.571  301.006   19.343  329.062   23.467 -28.05658 30.41141 
1 1 1    1    8   35 o  241.442   12.151  735.941   73.025  769.095   95.474  689.201  113.360  245.964   15.625  231.519   19.798 14.44505 25.22106 
1 1 1    1    8   36 o  303.180   14.105  1161.83  106.791  1134.58  135.744  1206.10  172.991  297.825   18.341  305.119   22.870 -7.293274 29.31645 
1 1 1    1    8   37 o  276.930   13.054  968.583   90.271  1009.30  117.546  910.050  140.940  281.164   16.819  265.084   21.476 16.07938 27.27789 
1 1 1    1    8   38 o  234.250   17.500  704.864  101.631  475.737  164.152  847.285  129.417  183.187   37.155  255.687   20.440 -72.50055 42.40602 
1 1 1    1    8   39 o  152.649   12.046  296.545   45.547  379.529   74.375  246.749   57.614  171.100   17.661  137.782   17.114 33.31799 24.59258 
1 1 1    1    8   40 o  109.583   14.183  155.602   37.901  119.510   69.296  171.007   45.273   92.953   27.743  114.325   16.321 -21.37244 32.18744 
1 1 1    1    8   41 o   89.685   15.303  106.152   33.043   57.558   68.957  120.636   37.647   72.394   27.553   95.404   16.393 -23.01031 32.06065 
1 1 1    1    8   42 o  194.979   28.274  541.465  133.649  541.465  133.649   0.0000   0.0000  194.979   28.274  ?   ?  0.000000 28.27371 
1 1 1    1    8   43 f   49.046   15.436   31.244   21.091  103.869   72.730   24.575   22.038   85.281   28.784   45.383   15.827 39.89795 32.84823 
1 1 1    1    8   44 o   59.946   16.753   48.962   26.050 -39.7764   77.733   60.188   27.649   53.560   24.752   66.274   16.710 -12.71460 29.86452 
1 1 1    1    8   45 o   40.530   14.814   18.170   19.537   82.023   81.499   14.276   20.124   78.144   29.903   38.723   14.850 39.42118 33.38741 
1 1 1    1    8   46 o   77.265   17.104   82.974   32.129   97.354  135.191   82.114   33.076   85.592   36.338   76.643   17.647 8.948608 40.39663 
1 1 1    1    8   47 o   85.135   16.619  100.738   34.064  170.790  104.359   92.384   36.038   97.813   34.422   80.633   18.315 17.18009 38.99069 
1 1 1    1    9    0 o  100.995   7.4541  128.280   18.667  101.577   31.476  142.767   23.184   88.726   14.722  106.435   8.8016 -17.70825 17.15248 
1 1 1    1    9    1 o  467.207   17.437  2751.44  203.433  2544.27  351.788  2855.52  249.355  443.312   31.993  474.946   21.024 -31.63376 38.28243 
1 1 1    1    9    2 o  184.369   9.6538  426.758   44.292  391.853   76.358  444.457   54.374  175.476   17.666  187.934   11.643 -12.45776 21.15760 
1 1 1    1    9    3 o  456.113   16.774  2618.41  191.050  2354.75  330.294  2750.99  234.206  427.347   31.165  466.708   20.096 -39.36096 37.08266 
1 1 1    1    9    4 o  343.170   11.872  1476.20  101.734  1432.86  143.862  1519.56  143.885  336.951   17.154  347.526   16.580 -10.57504 23.85693 
1 1 1    1    9    5 o  421.129   19.928  2238.93  209.575  2236.49  296.246  2241.39  296.522  417.579   28.581  418.041   28.576 -0.4620056 40.41614 
1 1 1    1    9    6 o  541.521   17.282  3692.67  233.702  3717.08  330.569  3668.28  330.441  541.015   24.468  537.394   24.624 3.620911 34.71327 
1 1 1    1    9    7 o  821.493   25.200  8584.67  516.954  9062.16  731.680  8108.74  730.489  836.871   35.012  789.985   37.029 46.88605 50.96047 
1 1 1    1    9    8 o  378.069   14.515  1796.21  137.039  1642.65  167.675  2105.14  237.822  360.317   18.699  406.531   23.527 -46.21371 30.05316 
1 1 1    1    9    9 o  387.267   13.102  1882.68  126.707  1877.15  179.205  1888.21  179.177  385.648   18.608  386.795   18.550 -1.147003 26.27516 
1 1 1    1    9   10 o  509.811   16.365  3272.28  208.347  3353.58  294.724  3191.06  294.571  514.049   22.959  501.234   23.534 12.81567 32.87842 
1 1 1    1    9   11 o  313.684   12.415  1234.17   97.247  1055.04  167.979  1324.47  119.265  287.409   23.614  324.660   14.711 -37.25085 27.82091 
1 1 1    1    9   12 o  139.546   11.012  245.425   38.062  257.993   53.861  232.887   53.796  142.487   15.381  135.147   16.267 7.339783 22.38733 
1 1 1    1    9   13 o  149.422   9.0280  280.301   33.528  277.538   58.092  281.681   41.057  147.817   15.993  149.587   11.070 -1.770081 19.45004 
1 1 1    1    9   14 o  337.320   13.555  1425.60  114.183  1353.12  197.731  1461.87  139.858  326.493   24.429  341.311   16.409 -14.81757 29.42869 
1 1 1    1    9   15 o  222.898   10.153  621.364   56.513  756.519   98.238  554.514   69.089  245.117   16.139  210.033   13.240 35.08383 20.87560 
1 1 1    1    9   16 o  468.056   17.608  2747.52  205.809  2619.95  356.440  2811.32  252.074  453.775   31.654  472.970   21.342 -19.19434 38.17661 
1 1 1    1    9   17 o  296.751   12.365  1101.76   91.628  1224.25  159.236  1041.12  112.035  311.584   20.581  287.872   15.644 23.71121 25.85160 
1 1 1    1    9   18 o  148.794   9.1796  277.787   33.942  266.101   59.423  283.445   41.351  144.770   16.746  150.141   11.108 -5.370850 20.09527 
1 1 1    1    9   19 o  329.876   23.739  1375.40  194.247   0.0000   0.0000  1375.40  194.247  ?   ?   329.876   23.739 0.000000 23.73916 
1 1 1    1    9   20 o  365.693   17.998  1676.86  164.360  1440.00  232.593  1913.09  232.288  336.766   27.909  389.238   24.015 -52.47275 36.81934 
1 1 1    1    9   21 o  710.111   31.114  6380.67  551.735  5770.06  779.855  6992.58  780.690  668.119   47.043  738.015   42.541 -69.89624 63.42497 
1 1 1    1    9   22 o  1161.48   50.012 17483.14  1450.57 15496.17  2048.89 19479.94  2053.95  1064.38   77.620  1205.32   68.523 -140.9386 103.5389 
1 1 1    1    9   23 o  381.080   18.862  1824.37  179.496  1628.57  254.524  2018.10  253.171  357.505   28.753  399.001   25.543 -41.49554 38.46033 
1 1 1    1    9   24 o  234.359   19.971  696.207  115.763  696.207  115.763   0.0000   0.0000  234.359   19.971  ?   ?  0.000000 19.97101 
1 1 1    1    9   25 o  579.926   26.413  4268.94  382.512  4073.41  541.732  4463.35  540.178  559.922   38.987  587.333   37.019 -27.41101 53.76297 
1 1 1    1    9   26 o  425.616   20.776  2289.21  220.814  1975.88  313.117  2599.20  311.445  390.880   32.370  450.589   27.815 -59.70935 42.67876 
1 1 1    1    9   27 o  330.178   17.917  1379.56  147.173  1079.99  209.288  1672.60  206.999  288.621   29.451  362.151   23.008 -73.53006 37.37275 
1 1 1    1    9   28 f  117.201   12.003  174.227   34.634  169.397   54.318  177.537   44.959  114.057   19.789  117.681   15.690 -3.624779 25.25380 
1 1 1    1    9   29 o  548.384   25.825  3862.71  353.657  3518.35  501.498  4203.38  498.806  512.690   39.474  564.088   35.593 -51.39874 53.15174 
1 1 1    1    9   30 o   94.031   15.597  114.522   35.340   0.0000   0.0000  114.522   35.340  ?   ?    94.031   15.597 0.000000 15.59703 
1 1 1    1    9   31 o  263.854   15.247  882.043  100.035  845.854  145.238  914.706  137.981  256.024   22.961  267.055   20.856 -11.03049 31.01891 
1 1 1    1    9   32 o  102.230   15.730  135.100   38.869   0.0000   0.0000  135.100   38.869  ?   ?   102.230   15.730 0.000000 15.72969 
1 1 1    1    9   33 o  406.809   19.817  2109.49  201.321  2109.49  201.321   0.0000   0.0000  406.809   19.817  ?   ?  0.000000 19.81744 
1 1 1    1    9   34 o   78.024   24.973   77.372   55.023   77.372   55.023   0.0000   0.0000   78.024   24.973  ?   ?  0.000000 24.97258 
1 1 1    1    9   35 o  487.609   18.124  3024.52  220.687  3147.78  273.473  2794.39  373.678  495.216   22.114  458.145   32.881 37.07019 39.62542 
1 1 1    1    9   36 o  343.932   14.540  1495.84  124.879  1532.35  157.778  1434.60  204.320  346.375   18.306  332.009   24.824 14.36630 30.84350 
1 1 1    1    9   37 o  257.940   11.857  838.358   76.373  958.028  101.802  684.300  115.506  274.626   14.900  230.205   20.301 44.42186 25.18204 
1 1 1    1    9   38 o  116.877   13.548  175.074   38.807  138.583   65.156  195.136   48.311  101.023   25.751  122.853   16.138 -21.82989 30.38979 
1 1 1    1    9   39 o  336.574   16.622  1448.14  139.708  1740.28  217.156  1241.82  182.489  363.701   24.046  307.044   23.991 56.65659 33.96704 
1 1 1    1    9   40 o   68.022   15.542   61.480   25.822   48.429   63.172   64.098   28.293   68.986   26.344   69.328   16.568 -0.3417664 31.12137 
1 1 1    1    9   41 o  206.768   13.989  549.120   71.804  483.198  100.747  617.178  102.366  190.276   21.585  216.728   19.110 -26.45171 28.82872 
1 1 1    1    9   42 o   74.075   15.286   73.296   27.338  105.879   70.412   67.513   29.665   87.012   28.289   70.670   17.014 16.34171 33.01109 
1 1 1    1    9   43 o  177.506   30.587  464.884  130.686  464.884  130.686   0.0000   0.0000  177.506   30.587  ?   ?  0.000000 30.58666 
1 1 1    1    9   44 o  176.057   14.059  404.548   61.293  388.558   97.416  415.027   78.859  165.802   24.245  175.813   18.226 -10.01143 30.33166 
1 1 1    1    9   45 f   68.694   16.268   64.665   27.476   86.692   83.804   62.012   29.084   80.011   30.393   67.043   17.267 12.96728 34.95553 
1 1 1    1    9   46 o  172.084   14.940  392.860   63.564  344.360  106.304  419.850   79.302  149.129   29.590  175.369   18.382 -26.24046 34.83457 
1 1 1    1    9   47 o  174.933   15.582  411.288   67.355  352.923  117.677  439.726   82.142  144.995   33.214  178.185   18.741 -33.18958 38.13649 
1 1 1    1   10    0 o  509.960   18.895  3284.87  240.615  3089.46  416.132  3383.01  294.914  487.027   34.438  516.139   22.881 -29.11176 41.34628 
1 1 1    1   10    1 o  163.139   16.591  338.716   66.649   0.0000   0.0000  338.716   66.649  ?   ?   163.139   16.591 0.000000 16.59105 
1 1 1    1   10    2 o  224.705   10.500  632.765   58.918  580.825  101.621  659.065   72.312  213.526   19.266  228.785   12.707 -15.25938 23.07892 
1 1 1    1   10    3 o  338.059   13.680  1435.76  115.484  1440.31  199.799  1433.47  141.519  335.655   23.995  337.264   16.803 -1.608429 29.29357 
1 1 1    1   10    4 o  225.274   9.1794  635.379   51.639  628.000   73.049  642.750   73.008  223.257   13.161  225.898   12.997 -2.640549 18.49670 
1 1 1    1   10    5 f  386.626   13.122  1876.79  126.689  1895.74  179.229  1857.85  179.102  387.510   18.521  383.578   18.698 3.932251 26.31842 
1 1 1    1   10    6 o  473.698   21.901  2845.09  259.066  2720.84  366.094  2969.71  366.655  458.192   32.201  479.518   30.782 -21.32645 44.54695 
1 1 1    1   10    7 o  501.302   22.433  3188.70  280.831   0.0000   0.0000  3188.70  280.831  ?   ?   501.302   22.433 0.000000 22.43335 
1 1 1    1   10    8 o  251.547   9.7328  792.454   61.138  725.332   86.470  859.548   86.453  239.785   14.509  261.305   13.293 -21.52005 19.67780 
1 1 1    1   10    9 o  207.295   8.8872  537.860   46.005  543.737   65.140  532.012   64.982  207.788   12.614  205.511   12.725 2.277145 17.91707 
1 1 1    1   10   10 o  282.969   10.564  1003.08   74.645  1014.59  105.585  991.576  105.543  283.731   14.955  280.455   15.126 3.275452 21.27066 
1 1 1    1   10   11 o  234.638   9.5143  689.097   55.748  735.013   78.861  643.230   78.817  241.712   13.114  225.941   14.039 15.77150 19.21112 
1 1 1    1   10   12 o  257.747   9.8652  831.404   63.497  816.079   89.739  846.769   89.856  254.660   14.168  259.453   13.920 -4.793869 19.86139 
1 1 1    1   10   13 o  612.497   19.243  4719.32  294.328  4795.94  416.306  4642.75  416.179  615.198   27.099  605.147   27.540 10.05078 38.63680 
1 1 1    1   10   14 f  1025.55   30.906 13348.74  791.486 13592.64  1119.60 13105.08  1119.06  1026.60   43.673  1007.42   44.483 19.18146 62.33828 
1 1 1    1   10   15 o  769.881   27.219  7484.39  523.298  7444.07  906.308  7504.56  640.932  757.461   48.164  768.750   33.387 -11.28833 58.60463 
1 1 1    1   10   16 f  150.654   9.2548  284.798   34.649  279.682   60.086  287.346   42.411  148.480   16.483  151.145   11.319 -2.664825 19.99537 
1 1 1    1   10   17 o  364.082   14.169  1659.47  128.825  1806.91  223.559  1586.18  157.628  378.271   23.788  355.682   17.747 22.58884 29.67848 
1 1 1    1   10   18 o  534.233   19.479  3580.93  259.863  3914.15  450.902  3415.22  317.982  555.175   32.668  520.998   24.441 34.17670 40.79874 
1 1 1    1   10   19 o  461.803   16.517  2672.13  190.478  3229.80  331.371  2396.94  232.779  505.679   26.333  436.866   21.338 68.81320 33.89237 
1 1 1    1   10   20 o  461.377   30.685  2702.41  351.515   0.0000   0.0000  2702.41  351.515  ?   ?   461.377   30.685 0.000000 30.68467 
1 1 1    1   10   21 f  483.313   18.030  2929.89  217.604  2485.01  376.847  3152.43  266.528  441.182   34.480  500.881   21.309 -59.69888 40.53282 
1 1 1    1   10   22 f  539.156   24.547  3663.06  330.494  3445.13  467.684  3880.44  467.096  518.867   36.324  551.595   34.077 -32.72852 49.80673 
1 1 1    1   10   23 f  232.636   14.386  680.737   83.161  524.681  118.424  832.563  116.808  202.633   23.861  256.831   18.333 -54.19841 30.09035 
1 1 1    1   10   24 o  431.330   20.672  2343.12  222.657  2125.05  315.519  2559.45  314.254  407.399   31.252  448.299   28.215 -40.90009 42.10450 
1 1 1    1   10   25 o  437.572   20.673  2414.96  225.890  2399.63  320.611  2430.08  318.315  432.868   29.842  435.769   29.424 -2.900787 41.90868 
1 1 1    1   10   26 o  183.144   18.569  427.030   83.750  427.030   83.750   0.0000   0.0000  183.144   18.569  ?   ?  0.000000 18.56896 
1 1 1    1   10   27 o  216.417   13.082  590.189   70.365  622.706  102.260  560.948   96.972  221.299   18.679  209.957   18.691 11.34148 26.42448 
1 1 1    1   10   28 o  400.223   20.149  2035.60  200.730  1800.29  285.249  2266.43  282.520  371.863   31.000  419.447   27.118 -47.58389 41.18726 
1 1 1    1   10   29 o  396.993   19.616  2000.06  194.469  1917.83  277.036  2079.94  273.049  384.074   29.101  400.923   27.438 -16.84924 39.99621 
1 1 1    1   10   30 o  151.912   13.353  292.694   50.140  216.791   75.515  352.540   67.054  128.012   24.515  166.235   16.365 -38.22238 29.47568 
1 1 1    1   10   31 o  279.357   21.639  1002.19  149.780   0.0000   0.0000  1002.19  149.780  ?   ?   279.357   21.639 0.000000 21.63944 
1 1 1    1   10   32 o   57.710   13.972   43.663   19.920   65.132   46.364   38.803   22.060   71.848   22.916   54.697   15.463 17.15137 27.64501 
1 1 1    1   10   33 o  449.020   22.311  2583.32  250.165  2344.19  356.695  2814.80  350.948  419.324   34.366  462.724   30.544 -43.40021 45.97756 
1 1 1    1   10   34 o  219.484   12.819  608.852   69.954  543.275   90.274  707.416  110.675  206.128   17.710  235.011   19.022 -28.88327 25.98972 
1 1 1    1   10   35 o  368.508   16.449  1721.42  151.366  1581.45  188.465  1975.81  254.067  350.684   21.627  389.509   26.274 -38.82520 34.02982 
1 1 1    1   10   36 o  137.931   24.562  252.618   81.501  252.618   81.501   0.0000   0.0000  137.931   24.562  ?   ?  0.000000 24.56237 
1 1 1    1   10   37 o  206.107   12.093  537.127   61.968  570.709   85.697  500.323   89.712  211.400   16.361  197.254   18.426 14.14642 24.64133 
1 1 1    1   10   38 o  285.042   13.292  1027.17   94.612  1073.89  123.640  961.170  146.967  289.784   17.162  272.117   21.811 17.66721 27.75366 
1 1 1    1   10   39 o   97.950   14.196  124.166   33.711   94.509   64.089  135.509   39.637   84.733   26.934  101.933   16.107 -17.20033 31.38236 
1 1 1    1   10   40 o  118.385   15.628  182.044   45.071   93.167  114.205  198.440   49.052   91.637   35.316  123.480   16.307 -31.84304 38.89883 
1 1 1    1   10   41 o  191.714   14.456  472.694   68.699  360.443   96.976  585.779   97.335  162.742   24.633  211.595   18.610 -48.85323 30.87255 
1 1 1    1   10   42 o  264.560   14.418  902.112   94.896  869.377  127.061  943.404  142.702  256.031   20.033  265.424   21.720 -9.393463 29.54792 
1 1 1    1   10   43 o  185.742   13.555  446.168   62.438  454.136   96.268  440.383   82.031  182.798   21.500  182.001   18.297 0.7975006 28.23179 
1 1 1    1   10   44 o  158.762   15.006  330.809   58.786  228.861   95.051  393.958   74.809  122.344   31.057  171.801   17.690 -49.45681 35.74192 
1 1 1    1   10   45 o  167.373   35.172  449.548  142.336  449.548  142.336   0.0000   0.0000  167.373   35.172  ?   ?  0.000000 35.17217 
1 1 1    1   10   46 f  137.622   14.352  250.379   48.596  288.672   96.977  237.540   56.156  137.065   29.225  132.327   17.417 4.738754 34.02183 
1 1 1    1   10   47 o  171.322   15.972  394.631   67.543  273.060  113.933  460.511   83.871  125.457   35.027  182.899   18.623 -57.44193 39.66997 
1 1 1    1   10   48 o  109.352   16.615  164.902   43.942  104.870  112.321  175.750   47.748   82.547   33.928  112.332   17.600 -29.78416 38.22095 
1 1 1    1   11    0 o   49.154   8.7824   31.142   10.384   30.739   16.544   31.404   13.339   48.716   13.249   49.099   11.136 -0.3830948 17.30743 
1 1 1    1   11    1 o  534.561   19.718  3608.66  263.221  3479.70  455.405  3673.35  322.559  517.362   35.463  537.866   24.015 -20.50397 42.82965 
1 1 1    1   11    2 o  249.248   20.010  790.169  123.498   0.0000   0.0000  790.169  123.498  ?   ?   249.248   20.010 0.000000 20.01034 
1 1 1    1   11    3 o  109.052   8.2027  149.642   22.174  126.248   37.793  161.924   27.383   98.957   15.827  113.290   9.7750 -14.33309 18.60222 
1 1 1    1   11    4 o  489.439   15.808  3014.96  193.211  2938.67  273.183  3091.32  273.300  481.168   22.736  493.706   22.168 -12.53787 31.75397 
1 1 1    1   11    5 o   47.977   8.1339   29.598   9.3969   37.480   13.512   22.215   13.077   53.784   10.437   41.623   11.952 12.16143 15.86777 
1 1 1    1   11    6 o  168.920   11.251  359.271   47.186   0.0000   0.0000  359.271   47.186  ?   ?   168.920   11.251 0.000000 11.25051 
1 1 1    1   11    7 o  367.549   17.972  1703.70  164.957  1703.70  164.957   0.0000   0.0000  367.549   17.972  ?   ?  0.000000 17.97232 
1 1 1    1   11    8 o  199.543   12.480  501.418   61.873  516.483   87.587  486.413   87.415  201.705   17.564  195.600   18.102 6.104721 25.22259 
1 1 1    1   11    9 o  217.191   9.1443  590.395   49.595  576.039   70.247  604.663   70.030  213.854   13.219  219.174   12.851 -5.320099 18.43632 
1 1 1    1   11   10 o  176.138   8.2929  388.076   36.476  389.328   51.679  386.832   51.493  175.863   11.836  175.296   11.832 0.5667267 16.73631 
1 1 1    1   11   11 o  413.828   13.696  2147.71  141.533  2188.80  200.218  2106.68  200.098  416.877   19.233  408.915   19.596 7.962219 27.45712 
1 1 1    1   11   12 o  179.093   8.5834  401.089   38.387  399.959   54.227  402.224   54.349  178.282   12.255  178.790   12.247 -0.5075684 17.32517 
1 1 1    1   11   13 o  546.392   17.326  3747.70  236.406  3699.18  334.227  3796.27  334.430  541.342   24.724  548.474   24.417 -7.132141 34.74883 
1 1 1    1   11   14 o  447.093   14.659  2504.45  163.668  2576.38  231.506  2432.57  231.417  452.728   20.477  439.826   21.070 12.90256 29.38141 
1 1 1    1   11   15 o  348.838   12.141  1522.67  105.764  1581.70  149.616  1463.72  149.529  355.179   16.869  341.164   17.612 14.01517 24.38685 
1 1 1    1   11   16 o  328.955   13.220  1354.36  108.594  1382.13  188.169  1340.50  132.972  330.741   22.924  327.065   16.281 3.676666 28.11745 
1 1 1    1   11   17 o  413.282   15.843  2139.68  163.504  1911.70  282.932  2253.99  200.345  388.007   29.420  423.880   18.927 -35.87329 34.98205 
1 1 1    1   11   18 o  322.528   12.989  1301.68  104.613  1141.44  181.039  1382.00  128.179  300.239   24.356  332.180   15.452 -31.94138 28.84463 
1 1 1    1   11   19 o  607.357   21.742  4634.25  329.750  5019.19  572.046  4442.69  403.542  627.529   36.664  593.640   27.222 33.88916 45.66475 
1 1 1    1   11   20 o  618.620   22.391  4810.53  345.897  4429.23  598.919  5001.37  423.704  587.620   41.073  629.826   26.940 -42.20660 49.11994 
1 1 1    1   11   21 o  541.766   24.521  3696.24  331.739   0.0000   0.0000  3696.24  331.739  ?   ?   541.766   24.521 0.000000 24.52078 
1 1 1    1   11   22 o  228.499   19.119  660.152  108.093   0.0000   0.0000  660.152  108.093  ?   ?   228.499   19.119 0.000000 19.11929 
1 1 1    1   11   23 o  490.681   18.239  3024.02  223.489  2368.71  386.946  3352.05  273.769  429.073   36.459  516.068   21.244 -86.99515 42.19629 
1 1 1    1   11   24 o  316.376   12.669  1253.91  100.094  1503.66  175.534  1133.57  121.844  344.945   20.469  300.048   16.323 44.89713 26.18092 
1 1 1    1   11   25 o  252.005   14.795  799.816   92.700  711.061  132.404  885.153  129.829  236.127   22.736  264.289   19.816 -28.16174 30.15926 
1 1 1    1   11   26 o  322.341   16.952  1311.33  135.975  1220.48  193.564  1399.83  191.055  308.902   25.315  331.556   23.222 -22.65335 34.35310 
1 1 1    1   11   27 o  203.674   19.152  528.638   96.266  528.638   96.266   0.0000   0.0000  203.674   19.152  ?   ?  0.000000 19.15226 
1 1 1    1   11   28 o  243.916   14.946  751.854   90.595  642.277  130.077  855.080  126.250  223.276   23.691  259.095   19.659 -35.81949 30.78606 
1 1 1    1   11   29 o  291.765   14.825  1075.47  107.656  1200.06  155.329  960.292  149.345  306.687   20.398  273.694   22.038 32.99277 30.02927 
1 1 1    1   11   30 o  577.708   27.117  4307.90  391.208  3727.07  554.153  4884.97  552.355  523.496   42.764  606.148   36.664 -82.65173 56.32914 
1 1 1    1   11   31 o   88.695   15.566  102.198   33.220   0.0000   0.0000  102.198   33.220  ?   ?    88.695   15.566 0.000000 15.56615 
1 1 1    1   11   33 o  656.350   30.680  5643.14  502.846  5338.02  713.403  5944.40  708.881  618.671   46.517  657.370   43.428 -38.69891 63.63831 
1 1 1    1   11   34 o  160.200   12.526  325.055   49.712  371.810   81.053  296.862   62.939  169.807   19.466  152.152   16.848 17.65410 25.74462 
1 1 1    1   11   35 o  326.540   13.812  1345.51  112.632  1390.37  142.255  1270.13  184.388  330.526   17.295  313.246   23.749 17.28076 29.37897 
1 1 1    1   11   36 o  197.870   10.876  493.695   53.535  607.382   75.539  378.978   75.881  218.898   13.891  171.725   17.961 47.17354 22.70570 
1 1 1    1   11   37 o  117.873   27.240  188.191   78.572  188.191   78.572   0.0000   0.0000  117.873   27.240  ?   ?  0.000000 27.24005 
1 1 1    1   11   38 o  443.015   17.522  2502.41  193.849  2530.07  241.726  2452.56  324.482  442.912   21.855  428.779   30.503 14.13351 37.52480 
1 1 1    1   11   39 o   74.951   14.462   73.618   26.087  116.198   61.640   64.327   28.793   92.602   25.732   69.648   16.758 22.95493 30.70765 
1 1 1    1   11   40 o  378.020   16.765  1831.61  158.261  1755.42  199.572  1960.71  259.774  366.162   21.927  382.172   27.402 -16.00970 35.09489 
1 1 1    1   11   41 o  215.507   13.423  593.841   71.880  581.305  101.254  606.577  102.059  210.516   19.482  215.226   19.190 -4.710526 27.34612 
1 1 1    1   11   42 o  344.537   19.033  1558.90  163.116  1582.27  249.881  1541.54  215.320  335.018   30.193  335.726   25.883 -0.7082520 39.76859 
1 1 1    1   11   43 o   87.372   14.942  101.190   31.428  110.055   73.873   99.231   34.728   88.159   28.991   85.905   16.791 2.254379 33.50237 
1 1 1    1   11   44 o  140.284   16.323  260.707   56.112   72.526   91.306  374.909   71.129   79.063   31.251  168.020   17.195 -88.95619 35.66893 
1 1 1    1   11   45 o  228.670   14.698  684.308   83.488  648.131  120.412  717.800  115.858  215.894   22.673  229.437   20.435 -13.54329 30.52353 
1 1 1    1   11   46 o   71.076   31.938   5.1520  118.282   5.1520  118.282   0.0000   0.0000   71.076   31.938  ?   ?  0.000000 31.93812 
1 1 1    1   11   47 o   49.636   16.233   32.271   23.173   11.076   91.235   33.733   23.958   64.536   28.582   50.622   16.504 13.91321 33.00414 
1 1 1    1   11   48 o   64.155   17.806   58.127   29.534 -97.4889  105.381   71.392   30.767   54.284   26.156   71.133   17.452 -16.84861 31.44403 
1 1 1    1   12    0 o   99.154   9.6059  124.140   23.487  163.448   39.710  102.992   29.127  113.278   14.360   89.676   13.419 23.60239 19.65457 
1 1 1    1   12    1 o  414.745   15.938  2160.23  165.074  2071.53  285.350  2204.84  202.375  402.623   28.567  418.430   19.368 -15.80762 34.51325 
1 1 1    1   12    2 o  236.190   11.181  698.675   65.944  743.804  113.841  675.885   80.899  242.283   18.967  231.682   14.049 10.60123 23.60384 
1 1 1    1   12    3 o  153.630   8.8671  296.277   33.873  256.283   57.986  316.994   41.735  141.798   16.696  158.755   10.588 -16.95717 19.77014 
1 1 1    1   12    4 o  300.052   16.000  1135.04  119.452  1002.81  169.282  1266.17  168.581  280.137   24.444  315.776   21.507 -35.63928 32.55799 
1 1 1    1   12    5 o  102.529   6.8778  132.015   17.508  142.421   25.011  122.016   24.515  106.245   9.5281   98.197   10.144 8.047989 13.91680 
1 1 1    1   12    6 o  455.752   16.890  2613.68  192.225  2427.68  235.175  2988.07  333.657  438.187   21.492  483.385   27.758 -45.19751 35.10558 
1 1 1    1   12    7 o  281.747   10.558  994.095   74.282  986.660  105.164  1001.50  104.937  279.858   15.104  281.985   14.956 -2.127106 21.25563 
1 1 1    1   12    8 o  580.150   18.236  4238.21  264.192  4092.62  373.543  4383.91  373.704  567.497   26.359  587.688   25.464 -20.19086 36.64989 
1 1 1    1   12    9 o   98.839   10.451  123.654   25.404  128.512   36.155  118.917   35.701  100.107   14.918   96.139   15.390 3.968239 21.43381 
1 1 1    1   12   10 o   86.879   7.3165   95.023   15.726  107.584   22.609   83.252   21.887   92.187   9.9804   80.790   11.146 11.39754 14.96107 
1 1 1    1   12   11 o  449.312   14.714  2531.58  165.099  2523.63  233.530  2539.53  233.440  447.628   20.892  449.049   20.818 -1.421356 29.49303 
1 1 1    1   12   12 o  233.208   9.2423  680.102   53.824  666.283   76.093  693.938   76.144  230.259   13.290  235.034   13.024 -4.775009 18.60806 
1 1 1    1   12   13 o  111.734   7.5607  156.740   20.972  144.617   29.505  169.117   29.814  106.928   11.217  115.812   10.420 -8.883926 15.31030 
1 1 1    1   12   14 o  286.696   10.618  1028.03   76.015  1057.01  107.465  999.000  107.539  290.095   14.885  281.947   15.331 8.147278 21.36837 
1 1 1    1   12   15 o  309.914   10.892  1201.25   84.297  1237.57  119.199  1164.91  119.228  314.317   15.186  304.511   15.733 9.805481 21.86673 
1 1 1    1   12   16 f  409.372   13.493  2097.61  137.939  2036.35  194.963  2159.01  195.188  402.825   19.381  414.838   18.842 -12.01297 27.03069 
1 1 1    1   12   17 o  843.969   29.891  8998.05  629.969  9197.85  1091.42  8898.23  771.451  841.903   52.171  836.723   36.921 5.179626 63.91352 
1 1 1    1   12   18 o  748.702   26.686  7064.27  498.940  7134.06  864.364  7029.40  611.012  743.974   46.763  745.084   32.839 -1.110107 57.14195 
1 1 1    1   12   19 o  372.865   14.687  1740.87  136.751  1784.34  237.195  1719.23  167.366  375.579   25.440  370.265   18.101 5.313690 31.22272 
1 1 1    1   12   20 o  347.983   13.970  1516.02  121.400  1362.92  210.362  1592.47  148.651  327.877   25.903  356.443   16.700 -28.56573 30.82031 
1 1 1    1   12   21 f  397.390   15.026  1978.32  149.109  2298.59  259.507  1820.47  182.185  426.502   24.468  380.324   19.245 46.17737 31.12973 
1 1 1    1   12   22 o  368.593   14.585  1702.19  134.244  1767.19  233.583  1670.12  164.042  373.475   25.193  364.777   18.008 8.698151 30.96735 
1 1 1    1   12   23 o  148.593   16.396  280.372   59.827   0.0000   0.0000  280.372   59.827  ?   ?   148.593   16.396 0.000000 16.39622 
1 1 1    1   12   24 o  316.347   13.530  1254.40  106.887  984.920  186.055  1387.15  130.587  277.421   27.207  332.440   15.730 -55.01913 31.42690 
1 1 1    1   12   25 o  292.047   12.643  1069.13   92.204  1037.43  161.608  1084.43  112.270  285.541   22.856  293.459   15.374 -7.917389 27.54542 
1 1 1    1   12   26 o  374.748   14.823  1764.50  138.712  1837.14  242.064  1728.98  169.259  379.192   25.716  370.351   18.302 8.840149 31.56320 
1 1 1    1   12   27 o  118.927   8.4871  177.914   25.040  266.505   49.145  146.853   29.100  145.006   13.736  107.683   10.975 37.32298 17.58207 
1 1 1    1   12   28 o  215.067   14.047  584.280   75.028  482.702  107.857  679.517  104.436  193.472   22.760  231.135   18.242 -37.66266 29.16803 
1 1 1    1   12   29 o  174.952   11.936  386.237   51.833  433.983   77.239  347.118   69.914  184.563   16.948  164.834   17.240 19.72847 24.17560 
1 1 1    1   12   30 o  353.176   18.801  1586.94  165.222  1336.58  235.368  1830.15  231.986  319.490   29.847  376.825   24.791 -57.33514 38.80023 
1 1 1    1   12   31 o  194.807   11.896  478.823   57.595  595.744   87.257  388.552   76.670  216.466   16.261  174.193   17.879 42.27296 24.16781 
1 1 1    1   12   32 o  365.782   18.413  1703.16  167.649  1696.16  240.295  1709.80  234.012  361.191   26.833  363.095   25.980 -1.903137 37.34966 
1 1 1    1   12   33 o  357.962   19.126  1634.69  170.346  1460.79  244.628  1798.39  237.348  333.349   29.698  372.391   25.680 -39.04221 39.26141 
1 1 1    1   12   34 o  300.440   22.737  1164.10  169.325   0.0000   0.0000  1164.10  169.325  ?   ?   300.440   22.737 0.000000 22.73745 
1 1 1    1   12   35 f  205.175   13.931  533.619   70.954  521.155  108.808  542.840   93.591  200.502   22.099  205.818   18.404 -5.316437 28.75839 
1 1 1    1   12   36 o  184.957   11.910  432.383   54.719  440.817   75.896  423.253   78.963  185.730   16.537  181.680   17.627 4.050507 24.16945 
1 1 1    1   12   37 o  180.884   12.251  414.132   55.010  413.051   77.654  415.221   77.939  179.381   17.561  179.851   17.578 -0.4696655 24.84710 
1 1 1    1   12   38 o  157.138   25.169  328.388   95.429  328.388   95.429   0.0000   0.0000  157.138   25.169  ?   ?  0.000000 25.16862 
1 1 1    1   12   39 o  300.328   14.854  1145.37  111.405  1074.70  143.136  1253.95  177.431  288.337   20.003  309.840   23.098 -21.50336 30.55534 
1 1 1    1   12   40 o  349.517   14.529  1554.76  126.812  1651.09  162.679  1405.56  202.452  357.799   18.268  325.467   25.103 32.33215 31.04677 
1 1 1    1   12   41 o  215.109   13.866  592.152   74.089  535.778  102.906  652.822  106.756  201.558   20.741  223.417   19.325 -21.85921 28.34897 
1 1 1    1   12   42 o  157.991   14.304  322.366   55.821  235.238   86.320  384.990   73.182  128.992   27.630  171.499   17.326 -42.50719 32.61290 
1 1 1    1   12   43 o  175.390   16.473  403.268   71.304  250.302  138.815  458.094   83.105  124.804   39.636  186.126   18.110 -61.32138 43.57682 
1 1 1    1   12   44 o  146.849   15.099  282.776   54.581  165.729   89.208  352.807   69.003  104.531   31.540  163.076   17.204 -58.54533 35.92746 
1 1 1    1   12   45 o  268.796   14.747  943.739   98.606  945.810  135.689  941.421  143.543  263.474   20.792  261.349   22.205 2.124329 30.41974 
1 1 1    1   12   46 o   51.362   15.698   35.102   21.995  102.782   86.369   30.408   22.745   84.468   31.105   48.708   16.090 35.76023 35.02005 
1 1 1    1   12   47 o  137.740   14.901  252.452   50.438  257.740  103.064  250.787   57.837  125.610   32.581  135.772   17.463 -10.16225 36.96591 
1 1 1    1   12   48 o   71.211   32.902  -6.1583  137.241  -6.1583  137.241   0.0000   0.0000   71.211   32.902  ?   ?  0.000000 32.90229 
1 1 1    1   13    0 o  266.932   13.441  894.720   89.310  735.643  124.916  1061.06  127.737  240.909   20.973  290.184   17.712 -49.27429 27.45197 
1 1 1    1   13    1 o  196.856   10.056  486.017   49.271  541.805   84.560  457.342   60.625  207.148   16.483  190.672   12.807 16.47542 20.87372 
1 1 1    1   13    2 o  126.587   8.6784  201.308   27.268  197.830   46.271  203.159   33.751  124.689   15.173  126.965   10.746 -2.276031 18.59294 
1 1 1    1   13    3 o  385.289   14.788  1861.66  142.283  1673.50  245.752  1956.53  174.507  362.402   27.357  394.610   17.709 -32.20862 32.58849 
1 1 1    1   13    4 o  222.601   9.6286  619.892   53.523  574.510   75.692  665.277   75.695  213.579   14.274  230.031   13.233 -16.45197 19.46444 
1 1 1    1   13    5 o  227.707   19.010  656.853  107.109   0.0000   0.0000  656.853  107.109  ?   ?   227.707   19.010 0.000000 19.01028 
1 1 1    1   13    6 o  791.827   23.465  7921.50  463.990  6801.94  654.927  9049.69  657.443  727.968   36.027  842.523   31.248 -114.5557 47.69078 
1 1 1    1   13    7 o  119.167   7.8256  178.302   23.158  174.852   33.046  181.631   32.462  117.630   11.393  119.961   10.957 -2.331673 15.80700 
1 1 1    1   13    8 o  134.014   8.0165  225.340   26.705  219.593   38.086  230.897   37.454  131.919   11.682  135.355   11.181 -3.436249 16.17044 
1 1 1    1   13    9 o  461.237   14.993  2667.86  172.688  2647.99  244.335  2687.69  244.101  458.494   21.340  461.952   21.160 -3.457794 30.05275 
1 1 1    1   13   10 o  206.235   8.5134  531.769   43.844  580.329   62.308  484.140   61.707  215.008   11.648  196.219   12.661 18.78827 17.20410 
1 1 1    1   13   11 o  241.186   13.755  731.019   82.503  733.446  116.752  728.599  116.603  240.796   19.586  239.989   19.628 0.8076019 27.72863 
1 1 1    1   13   12 o  252.190   9.6391  795.291   60.703  849.051   85.985  741.871   85.711  260.063   13.284  242.950   14.189 17.11243 19.43744 
1 1 1    1   13   13 o  820.441   24.973  8484.15  511.650  8493.72  723.606  8474.59  723.558  817.016   35.467  816.079   35.505 0.9373779 50.18461 
1 1 1    1   13   14 o  228.920   9.2478  655.120   52.865  674.269   74.697  635.903   74.830  231.744   12.959  224.991   13.379 6.753250 18.62636 
1 1 1    1   13   15 o   84.172   7.4508   89.222   15.499   88.840   21.635   89.626   22.216   83.622   10.598   83.961   10.849 -0.3390579 15.16682 
1 1 1    1   13   16 o  612.696   19.124  4710.24  292.604  4826.06  413.866  4594.50  413.742  618.727   26.786  603.556   27.451 15.17096 38.35450 
1 1 1    1   13   17 o  583.280   18.258  4266.73  265.932  4133.33  375.865  4400.44  376.305  572.737   26.280  591.111   25.493 -18.37469 36.61328 
1 1 1    1   13   18 o  600.664   21.580  4532.93  323.699  4822.21  561.139  4388.65  396.281  614.908   36.711  590.019   26.896 24.88904 45.50924 
1 1 1    1   13   19 o  451.493   16.934  2555.19  190.925  2224.79  330.205  2721.12  234.007  418.057   31.870  465.546   20.129 -47.48865 37.69429 
1 1 1    1   13   20 o  253.641   11.318  804.739   71.684  883.572  124.713  765.843   87.601  264.663   18.996  246.893   14.269 17.77029 23.75853 
1 1 1    1   13   21 o  504.897   18.718  3200.05  235.997  2823.27  408.486  3388.82  289.133  469.865   35.067  518.991   22.309 -49.12527 41.56165 
1 1 1    1   13   22 o  274.603   12.093  943.864   82.927  927.360  144.452  951.977  101.279  270.626   21.554  275.219   14.791 -4.592621 26.14040 
1 1 1    1   13   23 o  464.836   17.668  2714.15  205.088  2515.15  355.696  2813.26  251.013  443.245   32.359  472.611   21.269 -29.36563 38.72298 
1 1 1    1   13   24 f  218.316   18.776  604.065  101.367   0.0000   0.0000  604.065  101.367  ?   ?   218.316   18.776 0.000000 18.77625 
1 1 1    1   13   25 o  330.908   13.919  1373.97  115.017  1077.47  200.176  1520.10  140.529  289.600   28.031  347.759   16.182 -58.15939 32.36624 
1 1 1    1   13   26 o  464.642   17.813  2720.81  206.688  2382.85  358.800  2888.66  252.856  428.503   33.806  477.841   21.190 -49.33829 39.89810 
1 1 1    1   13   27 o  409.285   16.169  2110.20  165.255  1570.96  286.960  2377.77  202.138  346.688   33.566  433.825   18.659 -87.13763 38.40375 
1 1 1    1   13   28 o  274.562   11.570  946.117   79.326  1148.02  141.323  853.242   95.850  300.577   18.925  259.895   14.830 40.68201 24.04334 
1 1 1    1   13   29 o  352.071   17.313  1567.59  152.210  1660.07  217.178  1478.31  213.388  359.326   24.347  338.551   25.426 20.77524 35.20324 
1 1 1    1   13   30 o  182.272   11.960  419.316   54.138   0.0000   0.0000  419.316   54.138  ?   ?   182.272   11.960 0.000000 11.96047 
1 1 1    1   13   31 o  138.743   19.557  249.320   65.877  249.320   65.877   0.0000   0.0000  138.743   19.557  ?   ?  0.000000 19.55662 
1 1 1    1   13   32 o  217.860   11.372  598.074   61.652  516.403  111.961  633.614   73.858  199.555   22.881  223.895   13.269 -24.34032 26.45007 
1 1 1    1   13   33 o  294.773   12.952  1094.37   95.339  1011.34  169.958  1132.49  115.165  279.257   24.624  298.925   15.481 -19.66833 29.08592 
1 1 1    1   13   34 o  199.258   14.364  503.685   70.994  419.013  106.467  571.479   95.266  178.867   24.478  211.336   18.230 -32.46811 30.52083 
1 1 1    1   13   35 f  303.340   22.906  1188.14  172.235   0.0000   0.0000  1188.14  172.235  ?   ?   303.340   22.906 0.000000 22.90634 
1 1 1    1   13   36 o  224.800   14.230  640.794   79.471  651.139  121.282  633.010  105.203  224.296   21.934  222.053   19.160 2.242020 29.12399 
1 1 1    1   13   37 o  155.201   12.351  305.414   47.472  288.847   69.575  319.845   64.936  149.317   19.097  157.872   16.726 -8.555161 25.38597 
1 1 1    1   13   38 o  288.226   12.945  1048.85   93.169  1126.36  121.534  938.367  145.099  297.254   16.436  269.123   21.777 28.13147 27.28369 
1 1 1    1   13   39 o  126.338   12.622  203.622   39.288  225.980   67.018  191.916   48.495  130.811   21.245  121.727   16.369 9.083412 26.81962 
1 1 1    1   13   40 o   84.536   29.691   88.848   77.625   88.848   77.625   0.0000   0.0000   84.536   29.691  ?   ?  0.000000 29.69134 
1 1 1    1   13   41 f   66.588   15.234   58.897   24.782   70.457   63.306   56.805   26.931   75.776   26.794   65.270   16.511 10.50613 31.47273 
1 1 1    1   13   42 o  172.240   13.029  380.383   55.625  391.366   86.130  372.525   72.857  171.510   20.517  168.666   17.555 2.843979 27.00260 
1 1 1    1   13   43 o  318.177   16.740  1320.48  132.541  1161.10  170.244  1565.75  211.186  292.305   23.522  337.635   25.230 -45.32977 34.49408 
1 1 1    1   13   44 f  104.029   16.020  143.944   40.281   17.561   78.892  188.511   46.848   64.523   27.585  119.268   16.145 -54.74518 31.96217 
1 1 1    1   13   45 o  159.056   15.277  332.815   59.931  370.817  136.285  323.705   66.729  151.547   36.457  155.655   17.469 -4.108047 40.42574 
1 1 1    1   13   46 o   58.983   15.745   47.354   23.625  128.410   84.388   40.461   24.609   91.855   31.005   54.899   16.566 36.95608 35.15314 
1 1 1    1   13   47 o   46.205   15.507   27.050   21.109   48.434   88.376   25.757   21.738   71.258   29.762   45.638   15.730 25.62012 33.66342 
1 1 1    1   13   48 o   71.001   16.948   70.359   29.633   29.287   97.948   74.497   31.090   68.634   30.032   72.949   17.324 -4.315536 34.67068 
1 1 1    1   14    0 o  686.613   24.069  5941.61  412.679  5952.08  714.101  5936.36  505.668  679.454   42.297  684.687   29.575 -5.233582 51.61100 
1 1 1    1   14    1 o  365.351   18.198  1675.76  166.033  1876.41  234.369  1473.59  235.245  385.002   24.505  340.255   27.933 44.74649 37.15815 
1 1 1    1   14    2 o  283.125   12.113  1003.34   85.643  968.296  147.623  1021.12  105.146  276.581   21.544  285.066   14.822 -8.485291 26.14974 
1 1 1    1   14    3 o  828.059   28.834  8684.17  596.238  7877.95  1031.07  9089.22  730.822  773.723   53.697  844.500   34.655 -70.77667 63.90864 
1 1 1    1   14    4 o  488.409   22.335  3004.37  272.408   0.0000   0.0000  3004.37  272.408  ?   ?   488.409   22.335 0.000000 22.33497 
1 1 1    1   14    5 o  594.029   26.696  4461.54  396.007  4461.54  396.007   0.0000   0.0000  594.029   26.696  ?   ?  0.000000 26.69589 
1 1 1    1   14    6 o  239.024   9.6857  714.544   57.813  743.222   81.970  686.159   81.550  243.205   13.551  233.596   14.045 9.608765 19.51642 
1 1 1    1   14    7 o  172.698   10.678  374.559   45.823  471.262   66.264  285.934   63.436  193.464   13.807  149.962   17.254 43.50226 22.09819 
1 1 1    1   14    8 o  181.161   8.6561  410.313   39.160  415.727   55.688  405.017   55.077  181.815   12.338  179.444   12.367 2.370834 17.46909 
1 1 1    1   14    9 o  560.409   17.533  3941.61  245.371  3784.75  346.959  4098.55  347.053  547.605   25.372  570.089   24.378 -22.48438 35.18603 
1 1 1    1   14   10 o  603.627   18.543  4574.94  279.514  4574.54  395.475  4575.34  395.111  601.902   26.311  601.961   26.285 -0.5950928E-01 37.19089 
1 1 1    1   14   11 o  143.706   8.3903  259.014   29.979  211.785   42.664  305.073   42.133  129.368   13.401  155.788   10.899 -26.41965 17.27332 
1 1 1    1   14   12 o  121.386   8.0787  184.968   24.349  169.648   34.762  199.723   34.116  115.796   12.205  125.886   10.962 -10.09007 16.40517 
1 1 1    1   14   13 o  262.300   14.431  864.227   94.162  835.271  132.955  893.367  133.377  256.998   20.898  265.943   20.235 -8.944885 29.08934 
1 1 1    1   14   14 o  622.532   19.356  4864.35  300.900  5054.58  425.752  4674.52  425.323  633.038   26.932  608.528   27.989 24.51001 38.84255 
1 1 1    1   14   15 o  727.464   21.985  6651.48  399.379  6929.71  565.055  6373.73  564.561  740.247   30.568  709.542   31.863 30.70526 44.15447 
1 1 1    1   14   16 o  378.550   12.817  1793.22  121.158  1828.90  171.256  1757.47  171.430  381.888   17.958  374.321   18.340 7.567047 25.66781 
1 1 1    1   14   17 o  175.603   8.2396  385.375   36.132  348.985   50.806  422.612   51.394  166.560   12.302  183.473   11.272 -16.91267 16.68532 
1 1 1    1   14   18 o  205.591   8.7994  528.316   45.176  522.949   63.664  533.759   64.115  204.048   12.555  206.158   12.513 -2.110077 17.72613 
1 1 1    1   14   19 o  967.798   29.121 11836.14  703.779 12328.07  995.807 11345.22  994.782  982.182   40.601  941.282   42.321 40.90045 58.64715 
1 1 1    1   14   20 f  1101.37   38.904 15490.11  1069.99 15258.46  1852.90 15606.01  1310.59  1065.07   70.057  1099.31   47.742 -34.23901 84.77780 
1 1 1    1   14   21 o  1038.91   36.652 13770.72  950.875 13809.50  1647.10 13751.33  1164.53  1015.41   65.304  1032.48   45.167 -17.07355 79.40178 
1 1 1    1   14   22 o  164.796   9.6179  340.812   39.408  376.406   69.620  324.030   47.804  172.446   16.363  160.439   12.019 12.00749 20.30276 
1 1 1    1   14   23 o  157.621   9.3922  311.865   36.801  379.701   65.743  280.910   44.411  173.298   15.351  149.294   12.014 24.00319 19.49293 
1 1 1    1   14   24 o  285.792   12.408  1023.47   88.556  1018.10  154.721  1026.09  107.995  283.122   22.058  285.503   15.202 -2.381165 26.78933 
1 1 1    1   14   25 o  459.070   30.946  2709.99  352.687   0.0000   0.0000  2709.99  352.687  ?   ?   459.070   30.946 0.000000 30.94576 
1 1 1    1   14   26 o  235.810   11.355  697.048   66.866  577.046  117.700  754.235   81.251  212.185   22.559  244.750   13.344 -32.56511 26.21035 
1 1 1    1   14   27 o  283.615   12.808  1010.14   90.708  768.569  158.711  1127.32  110.541  243.778   26.498  299.328   14.789 -55.54994 30.34549 
1 1 1    1   14   28 o  412.301   16.026  2144.14  165.006  2211.56  287.964  2111.19  201.339  413.591   28.047  408.050   19.759 5.541046 34.30833 
1 1 1    1   14   29 o  195.660   10.533  481.685   51.276  451.782   93.221  494.656   61.398  187.523   20.227  197.983   12.483 -10.46022 23.76896 
1 1 1    1   14   30 o  203.186   9.8089  517.791   49.770  658.232   92.876  461.217   58.948  227.601   16.452  191.114   12.419 36.48703 20.61308 
1 1 1    1   14   31 o  186.771   13.996  442.112   64.804  344.142   95.744  524.938   88.034  162.033   24.421  202.796   17.557 -40.76344 30.07660 
1 1 1    1   14   32 o  294.935   12.624  1094.87   92.977  1151.77  165.753  1068.75  112.310  299.192   22.346  290.398   15.544 8.793915 27.22069 
1 1 1    1   14   33 o  117.650   9.1871  174.626   26.777  292.276   59.453  144.687   29.991  151.185   15.990  106.687   11.435 44.49863 19.65859 
1 1 1    1   14   34 o  191.469   11.195  462.338   53.294  319.805   99.657  519.425   63.070  155.173   26.680  202.741   12.519 -47.56830 29.47096 
1 1 1    1   14   35 o  134.733   10.135  229.204   33.850  153.154   72.171  250.651   38.327  106.612   27.062  140.799   10.988 -34.18727 29.20737 
1 1 1    1   14   36 o   97.784   15.829  124.057   37.331   0.0000   0.0000  124.057   37.331  ?   ?    97.784   15.829 0.000000 15.82908 
1 1 1    1   14   37 o   58.156   11.549   44.046   16.181   32.363   62.039   44.898   16.761   64.997   25.738   58.683   11.846 6.313946 28.33315 
1 1 1    1   14   38 o  316.948   12.574  1267.43   99.524  1170.75  148.689  1345.90  133.958  301.700   19.847  324.980   16.562 -23.27972 25.84909 
1 1 1    1   14   39 o  237.530   10.068  709.811   59.721  910.227  100.040  598.838   74.442  267.341   15.046  217.036   13.807 50.30524 20.42103 
1 1 1    1   14   40 o  107.880   10.086  147.856   26.856  230.767   67.797  132.425   29.248  131.867   21.316  101.723   11.729 30.14459 24.32951 
1 1 1    1   14   41 o  205.898   15.584  545.570   79.533  462.844  128.960  596.348  101.035  182.891   29.220  213.747   19.131 -30.85599 34.92584 
1 1 1    1   14   42 o  164.023   10.171  341.481   41.454  409.007   84.280  319.930   47.612  175.962   19.508  158.192   12.145 17.77060 22.98023 
1 1 1    1   14   43 o  322.164   12.255  1324.55   98.590  1474.10  153.320  1219.12  128.735  334.924   18.402  305.681   16.931 29.24301 25.00578 
1 1 1    1   14   44 o   96.995   14.304  123.857   33.608  157.219   77.926  116.234   37.250  103.199   29.023   93.096   16.633 10.10249 33.45138 
1 1 1    1   14   45 o   75.632   15.412   77.064   28.121  110.386   80.221   72.396   30.026   87.435   30.213   72.855   16.841 14.58038 34.58985 
1 1 1    1   14   46 o   99.720   16.461  134.062   39.562   17.257  124.716  147.131   41.716   74.889   33.280  104.532   16.531 -29.64259 37.15919 
1 1 1    1   14   47 o   44.037   15.409   23.390   20.898 -65.7651   86.893   28.863   21.530   52.981   25.024   47.424   15.654 5.556843 29.51713 
1 1 1    1   14   48 o  139.341   17.407  265.111   59.249   0.0000   0.0000  265.111   59.249  ?   ?   139.341   17.407 0.000000 17.40735 
1 1 1    1   15    0 o  305.292   12.886  1166.84   98.236  1365.18  169.540  1066.60  120.531  328.881   20.750  291.154   16.647 37.72656 26.60216 
1 1 1    1   15    1 f  470.689   17.469  2779.80  205.329  3103.95  355.498  2617.53  251.527  494.471   28.916  456.079   22.085 38.39157 36.38525 
1 1 1    1   15    2 o  402.653   15.456  2032.10  155.414  1963.87  268.452  2066.49  190.603  393.286   27.507  405.673   18.815 -12.38675 33.32655 
1 1 1    1   15    3 o  257.511   14.729  833.536   94.319  921.144  132.667  743.998  134.120  270.053   19.811  242.117   22.438 27.93669 29.93207 
1 1 1    1   15    4 o  532.583   16.930  3557.94  225.167  3258.94  318.103  3858.19  318.767  508.323   25.060  553.512   23.062 -45.18906 34.05653 
1 1 1    1   15    5 f  197.198   8.7775  486.145   43.224  542.104   61.495  431.502   60.768  207.792   11.901  185.171   13.229 22.62106 17.79399 
1 1 1    1   15    6 o  238.487   9.1968  711.117   54.771  707.052   77.699  715.132   77.220  237.272   13.165  238.645   13.007 -1.372665 18.50663 
1 1 1    1   15    7 o   57.950   8.3777   42.847   11.772   43.794   17.514   42.067   15.898   58.047   12.456   56.957   11.572 1.089741 17.00165 
1 1 1    1   15    8 o  155.156   10.598  302.510   40.817  371.764   59.509  240.984   56.090  171.722   13.999  137.633   16.659 34.08873 21.75990 
1 1 1    1   15    9 o  217.186   12.784  592.488   69.027  629.549   98.676  556.973   96.596  223.290   17.846  209.827   18.629 13.46295 25.79751 
1 1 1    1   15   10 f  163.740   8.3875  335.995   34.180  287.722   48.728  382.753   47.958  151.047   13.047  174.574   11.058 -23.52673 17.10251 
1 1 1    1   15   11 o  530.489   16.659  3528.26  220.693  3676.04  312.471  3381.17  311.744  540.451   23.153  518.152   24.093 22.29901 33.41434 
1 1 1    1   15   12 o  511.778   16.189  3282.76  206.894  3316.67  292.802  3248.94  292.382  513.450   22.836  508.146   23.042 5.304230 32.44085 
1 1 1    1   15   13 o  328.759   11.622  1352.12   95.416  1319.58  135.008  1384.58  134.869  324.017   16.743  332.377   16.249 -8.360260 23.33135 
1 1 1    1   15   14 f  169.080   12.025  359.470   50.440  405.424   71.305  313.444   71.360  179.153   16.111  156.985   18.562 22.16858 24.57882 
1 1 1    1   15   15 o  157.951   11.750  313.821   46.013  301.589   64.328  326.637   65.843  154.184   16.990  160.578   16.663 -6.393982 23.79683 
1 1 1    1   15   16 o  269.821   10.263  910.353   69.149  981.200   97.705  839.256   97.877  279.949   13.976  258.397   15.236 21.55118 20.67525 
1 1 1    1   15   17 o  224.904   9.2983  632.332   52.222  632.889   73.589  631.767   74.120  224.481   13.185  224.270   13.294 0.2101135 18.72393 
1 1 1    1   15   18 o  783.111   23.954  7720.68  468.447  7919.87  662.604  7521.64  662.364  790.015   33.587  769.569   34.467 20.44617 48.12499 
1 1 1    1   15   19 o  336.125   11.854  1413.65   99.494  1394.41  140.504  1432.99  140.909  333.037   16.951  338.066   16.691 -5.028442 23.78898 
1 1 1    1   15   20 o  558.147   17.145  3908.05  238.961  4399.01  338.420  3419.86  337.465  591.077   22.928  520.546   25.961 70.53125 34.63594 
1 1 1    1   15   21 o  493.134   18.112  3053.77  223.044  3143.06  386.384  3009.15  273.151  496.548   31.321  488.784   22.379 7.763794 38.49445 
1 1 1    1   15   22 o  494.155   18.420  3069.13  227.303  3121.58  393.932  3042.95  278.306  494.079   32.102  491.207   22.689 2.871857 39.31066 
1 1 1    1   15   23 o  209.363   10.691  550.093   55.709  481.370   97.148  583.764   68.000  194.441   20.307  215.474   12.694 -21.03308 23.94811 
1 1 1    1   15   24 o  257.935   11.608  833.490   74.771  864.107  130.606  818.563   91.193  260.989   20.197  254.988   14.380 6.000778 24.79334 
1 1 1    1   15   25 o  294.989   11.989  1090.93   88.315  1360.31  155.019  961.487  107.460  327.860   19.016  276.107   15.650 51.75320 24.62750 
1 1 1    1   15   26 o  465.750   31.501  2807.05  364.219   0.0000   0.0000  2807.05  364.219  ?   ?   465.750   31.501 0.000000 31.50069 
1 1 1    1   15   27 o  156.422   9.7276  307.739   37.809  317.242   68.742  303.617   45.272  157.519   17.788  155.103   11.777 2.415878 21.33268 
1 1 1    1   15   28 o  188.387   9.9134  446.125   46.472  506.657   84.457  419.840   55.655  199.538   17.115  182.401   12.290 17.13649 21.07100 
1 1 1    1   15   29 o  127.073   10.609  204.018   33.357   0.0000   0.0000  204.018   33.357  ?   ?   127.073   10.609 0.000000 10.60886 
1 1 1    1   15   30 o   91.080   21.891  110.052   49.173  110.052   49.173   0.0000   0.0000   91.080   21.891  ?   ?  0.000000 21.89112 
1 1 1    1   15   31 o  543.956   20.641  3772.18  280.383  3428.68  487.392  3942.09  342.783  504.244   39.010  553.548   24.798 -49.30423 46.22482 
1 1 1    1   15   32 o  175.965   12.654  391.732   55.234  434.475   84.423  359.743   73.035  184.027   18.627  167.511   17.729 16.51547 25.71583 
1 1 1    1   15   33 o  265.674   12.086  888.035   80.181  901.508  145.351  882.142   96.131  264.447   22.216  263.931   14.643 0.5157471 26.60798 
1 1 1    1   15   34 o  235.948   11.907  702.130   69.931  590.746  128.849  748.639   83.261  212.779   24.709  243.256   13.763 -30.47694 28.28385 
1 1 1    1   15   35 o  258.757   12.424  843.129   80.280  752.938  148.150  880.622   95.520  240.267   25.061  263.643   14.565 -23.37611 28.98596 
1 1 1    1   15   36 o  228.788   11.679  660.380   66.502  603.907  125.697  682.333   78.369  215.263   23.780  232.153   13.577 -16.89032 27.38333 
1 1 1    1   15   37 o  129.697   10.314  212.700   33.130  137.414   76.624  230.010   36.742  100.999   28.911  134.790   11.012 -33.79097 30.93757 
1 1 1    1   15   38 o  244.106   20.137  768.711  121.655   0.0000   0.0000  768.711  121.655  ?   ?   244.106   20.137 0.000000 20.13700 
1 1 1    1   15   39 o  146.055   10.685  270.019   38.701  155.990   73.962  313.013   45.415  106.806   27.550  157.118   11.658 -50.31238 29.91511 
1 1 1    1   15   40 o  249.453   11.236  785.527   69.991  792.752  112.355  780.946   89.472  247.765   18.289  247.411   14.546 0.3538971 23.36768 
1 1 1    1   15   41 o  305.445   12.284  1183.05   93.700  1167.92  143.869  1194.20  123.478  299.561   19.336  304.717   16.286 -5.156616 25.28045 
1 1 1    1   15   42 o  112.015   10.078  159.843   27.888  254.151   73.987  144.225   30.109  137.074   22.388  106.015   11.560 31.05943 25.19641 
1 1 1    1   15   43 o  134.826   15.179  237.171   50.216  234.616  108.316  237.871   56.675  124.731   33.892  134.180   17.318 -9.448700 38.06029 
1 1 1    1   15   44 o  176.992   11.017  400.539   48.454  349.694   95.218  418.306   56.287  157.970   24.967  180.254   12.584 -22.28325 27.95912 
1 1 1    1   15   45 o  150.962   10.510  291.773   39.374  381.827   92.257  271.717   43.538  165.796   22.894  145.059   12.130 20.73769 25.90888 
1 1 1    1   15   46 o  221.784   11.859  633.678   65.443  563.427  118.277  664.674   78.564  199.729   24.209  225.803   14.002 -26.07500 27.96652 
1 1 1    1   15   47 o  156.805   11.469  317.869   44.597  205.478  101.506  344.754   49.645  111.952   33.614  162.926   12.293 -50.97411 35.79115 
1 1 1    1   15   48 o   69.890   17.205   68.101   29.825   0.0000   0.0000   68.101   29.825  ?   ?    69.890   17.205 0.000000 17.20457 
1 1 1    1   16    0 o  647.722   22.055  5281.80  356.739  4622.97  615.931  5614.37  437.611  598.474   41.469  666.652   26.287 -68.17737 49.09851 
1 1 1    1   16    1 o  563.778   20.564  3996.45  289.517  3803.62  500.485  4093.44  354.931  544.602   37.021  569.641   24.951 -25.03894 44.64431 
1 1 1    1   16    2 f  395.834   15.214  1963.73  150.388  1836.38  259.497  2028.13  184.538  380.210   27.517  401.925   18.386 -21.71506 33.09449 
1 1 1    1   16    3 o  108.028   9.3946  147.018   25.091  323.143   42.719   54.256   31.002  160.369   10.729   64.901   18.325 95.46783 21.23497 
1 1 1    1   16    4 o  108.108   11.617  147.918   30.871  159.590   41.526  133.499   46.156  111.825   15.270  101.505   18.905 10.32020 24.30133 
1 1 1    1   16    5 o  131.529   7.7108  216.950   25.216  288.716   36.645  152.409   34.751  151.640   9.7285  109.581   12.950 42.05843 16.19679 
1 1 1    1   16    6 f  370.296   12.717  1716.40  117.597  1662.23  166.521  1770.29  166.094  363.444   18.408  375.619   17.708 -12.17416 25.54209 
1 1 1    1   16    7 o  307.608   10.752  1183.57   82.591  1237.33  117.275  1130.67  116.334  314.254   14.944  299.959   15.584 14.29507 21.59185 
1 1 1    1   16    8 o   67.748   8.7986   58.339   14.534   40.922   21.839   72.186   19.472   56.221   15.194   75.226   10.664 -19.00490 18.56313 
1 1 1    1   16    9 o   70.483   8.0331   62.894   13.887   68.048   21.051   58.925   18.477   72.792   11.999   67.722   11.325 5.069839 16.49990 
1 1 1    1   16   10 f  284.837   15.428  1019.57  109.329  971.466  155.494  1066.60  153.751  276.965   22.681  290.517   21.343 -13.55188 31.14372 
1 1 1    1   16   11 o  333.983   11.518  1395.46   96.063  1459.93  136.292  1331.82  135.419  341.301   15.991  325.503   16.716 15.79843 23.13348 
1 1 1    1   16   12 o  342.262   12.127  1465.78  103.647  1411.48  146.797  1519.76  146.363  335.009   17.609  348.162   16.834 -13.15329 24.36135 
1 1 1    1   16   13 o  113.937   9.1813  163.335   25.901  124.331   37.171  200.147   36.111   98.411   15.649  125.954   11.612 -27.54286 19.48683 
1 1 1    1   16   14 f  245.124   10.005  751.310   61.245  714.242   86.760  788.126   86.466  238.359   14.647  250.511   13.876 -12.15141 20.17620 
1 1 1    1   16   15 o  366.670   12.201  1682.30  111.722  1790.10  158.145  1574.90  157.852  377.876   16.759  353.886   17.921 23.98972 24.53616 
1 1 1    1   16   16 o  158.817   11.507  317.187   45.327  245.181   63.205  393.431   65.039  138.535   18.752  176.604   14.886 -38.06917 23.94253 
1 1 1    1   16   17 o  364.082   17.920  1663.00  162.924  1720.16  230.040  1605.48  230.780  368.605   25.142  355.844   26.154 12.76099 36.27864 
1 1 1    1   16   18 o  423.708   13.858  2248.22  146.624  2221.33  207.109  2275.24  207.608  420.530   19.722  425.627   19.533 -5.096863 27.75767 
1 1 1    1   16   19 o  561.711   17.417  3958.97  244.312  3833.48  345.177  4084.96  345.842  551.287   25.073  569.251   24.329 -17.96368 34.93672 
1 1 1    1   16   20 o  605.663   18.816  4608.49  284.586  4907.86  402.672  4309.73  402.260  623.323   25.869  583.641   27.600 39.68188 37.82851 
1 1 1    1   16   21 o  475.513   15.311  2835.94  181.813  2726.04  256.818  2946.36  257.427  465.079   22.113  483.667   21.314 -18.58792 30.71247 
1 1 1    1   16   22 o  468.607   17.321  2759.39  202.689  2522.21  350.492  2878.56  248.447  443.596   31.852  477.943   20.816 -34.34634 38.05118 
1 1 1    1   16   23 o  321.080   12.810  1292.25  102.708  1373.02  178.357  1252.18  125.629  329.044   21.830  315.319   16.007 13.72467 27.07010 
1 1 1    1   16   24 o  255.904   11.570  820.611   73.937  730.890  128.506  865.009   90.399  239.480   21.725  262.170   13.857 -22.68982 25.76798 
1 1 1    1   16   25 o  238.337   11.322  712.027   67.383  649.572  117.589  742.563   82.222  225.615   21.117  242.809   13.615 -17.19374 25.12562 
1 1 1    1   16   26 o  272.933   12.356  935.012   84.214  722.481  146.663  1039.55  102.861  236.720   25.198  287.527   14.326 -50.80777 28.98549 
1 1 1    1   16   27 f  288.839   22.057  1067.07  157.890   0.0000   0.0000  1067.07  157.890  ?   ?   288.839   22.057 0.000000 22.05688 
1 1 1    1   16   28 o  162.319   10.068  331.647   40.608  288.727   73.492  350.510   48.721  149.489   20.205  166.646   11.784 -17.15741 23.38983 
1 1 1    1   16   29 o  289.036   12.822  1050.97   92.543  859.911  162.059  1143.43  112.731  257.453   25.544  301.067   14.994 -43.61407 29.62007 
1 1 1    1   16   30 f   95.361   9.1888  115.049   21.611  163.044   47.466  102.499   24.273  112.167   17.519   89.672   11.075 22.49542 20.72589 
1 1 1    1   16   31 o  473.262   18.036  2842.18  213.152  2889.86  371.804  2818.84  260.146  468.305   31.985  469.381   22.194 -1.076843 38.93067 
1 1 1    1   16   32 o  188.127   10.152  445.527   47.517  449.986   89.902  443.799   55.974  187.049   19.535  187.455   12.021 -0.4063263 22.93751 
1 1 1    1   16   33 o   97.895   12.749  122.664   30.428  188.012   56.451   95.903   36.125  120.065   19.497   85.445   17.519 34.61921 26.21139 
1 1 1    1   16   34 o  281.911   13.174  1001.61   92.744  798.787  166.640  1092.63  111.631  246.597   27.531  293.589   15.279 -46.99255 31.48637 
1 1 1    1   16   35 o  129.070   10.035  210.412   32.091  151.728   73.953  224.027   35.619  106.053   27.643  133.085   10.811 -27.03233 29.68151 
1 1 1    1   16   36 o  160.357   10.026  324.181   39.948  370.791   88.562  312.275   44.760  168.831   21.494  157.135   11.487 11.69666 24.37037 
1 1 1    1   16   37 o  202.182   11.253  515.910   56.591  457.020  114.821  534.805   65.040  186.186   25.355  205.559   12.733 -19.37267 28.37278 
1 1 1    1   16   38 o  129.511   9.9340  212.019   31.883  194.051   86.236  214.864   34.314  119.077   29.220  130.266   10.642 -11.18945 31.09701 
1 1 1    1   16   39 o  146.974   15.181  277.129   54.916  199.024  116.748  299.319   62.230  119.304   36.101  152.414   16.620 -33.10951 39.74263 
1 1 1    1   16   40 o  301.279   14.121  1153.12  106.241  1164.76  137.967  1136.17  166.525  300.453   18.478  294.245   22.842 6.207947 29.38029 
1 1 1    1   16   41 o  232.290   11.157  682.378   64.720  645.028  106.778  704.068   81.371  222.252   19.435  234.731   13.944 -12.47928 23.91970 
1 1 1    1   16   42 o  262.609   10.746  873.202   70.468  1066.49  116.948  763.015   88.298  287.179   16.375  243.664   14.578 43.51520 21.92437 
1 1 1    1   16   43 o  164.721   10.908  346.006   44.614  259.490   87.734  376.181   51.814  135.482   26.881  171.348   12.189 -35.86548 29.51518 
1 1 1    1   16   44 o   99.673   15.581  131.714   37.513  153.939  101.313  128.182   40.383  101.315   33.973   97.716   17.176 3.598511 38.06846 
1 1 1    1   16   45 o  135.176   10.795  234.486   36.135  213.980   88.118  238.631   39.619  119.376   29.685  136.027   11.780 -16.65177 31.93653 
1 1 1    1   16   46 o  135.507   10.499  235.742   35.248  317.739   92.033  221.647   38.158  148.414   25.767  130.896   11.801 17.51772 28.34069 
1 1 1    1   16   47 o  153.618   12.155  306.271   46.249   0.0000   0.0000  306.271   46.249  ?   ?   153.618   12.155 0.000000 12.15542 
1 1 1    1   17    0 o  218.833   10.819  599.250   59.122  574.750  100.331  612.284   73.177  212.984   19.066  220.673   13.342 -7.689575 23.27041 
1 1 1    1   17    1 o  455.365   30.530  2643.92  345.158   0.0000   0.0000  2643.92  345.158  ?   ?   455.365   30.530 0.000000 30.53017 
1 1 1    1   17    2 f  278.599   15.845  976.485  109.777   0.0000   0.0000  976.485  109.777  ?   ?   278.599   15.845 0.000000 15.84454 
1 1 1    1   17    3 o  458.642   30.655  2679.67  349.072  2679.67  349.072   0.0000   0.0000  458.642   30.655  ?   ?  0.000000 30.65479 
1 1 1    1   17    4 o  243.117   11.219  739.534   68.109  680.327  117.072  769.825   83.739  231.740   20.440  247.554   13.598 -15.81393 24.54964 
1 1 1    1   17    5 o  153.350   8.3600  294.829   31.893  356.570   46.048  237.906   44.215  168.466   11.006  137.229   13.060 31.23712 17.07925 
1 1 1    1   17    6 o  342.837   17.120  1474.47  146.568  1493.86  206.807  1454.90  207.753  343.441   24.270  338.819   24.725 4.621704 34.64618 
1 1 1    1   17    7 o  292.376   10.609  1069.25   77.458  1255.11  110.360  888.790  108.743  316.564   13.960  265.728   16.469 50.83673 21.58953 
1 1 1    1   17    8 o  805.076   24.417  8168.22  490.879  8583.53  694.920  7754.60  693.496  821.790   33.863  780.384   35.586 41.40594 49.12320 
1 1 1    1   17    9 o  192.824   8.3822  464.744   40.362  540.977   58.083  393.558   56.128  207.645   11.243  176.857   12.795 30.78882 17.03323 
1 1 1    1   17   10 o  169.178   8.0879  357.719   34.169  418.588   49.386  301.827   47.324  182.609   10.879  154.808   12.344 27.80113 16.45422 
1 1 1    1   17   11 o  487.186   15.687  2974.63  190.850  2888.65  270.142  3060.31  269.665  479.137   22.578  493.282   21.892 -14.14447 31.44839 
1 1 1    1   17   12 o  440.728   20.738  2441.07  228.240  2377.27  323.417  2504.37  322.147  432.373   30.143  444.073   29.213 -11.69998 41.97601 
1 1 1    1   17   13 o  665.749   20.625  5569.61  342.894  5676.62  485.258  5462.90  484.594  670.026   29.002  657.140   29.530 12.88556 41.39045 
1 1 1    1   17   14 o  592.162   18.372  4400.69  271.674  4629.56  384.639  4172.84  383.773  605.956   25.419  574.996   26.728 30.96039 36.88490 
1 1 1    1   17   15 f  322.018   11.572  1297.39   93.055  1223.18  131.618  1371.56  131.581  311.850   16.965  330.791   15.929 -18.94095 23.27113 
1 1 1    1   17   16 o  334.922   11.539  1403.50   96.504  1395.94  136.489  1411.06  136.465  333.667   16.381  335.477   16.290 -1.809845 23.10148 
1 1 1    1   17   17 o  648.240   20.265  5281.52  328.037  5317.25  463.964  5245.79  463.866  648.302   28.659  643.874   28.850 4.427612 40.66478 
1 1 1    1   17   18 o  165.827   12.201  346.058   50.169  344.570   69.648  347.662   72.327  164.833   17.173  165.488   17.781 -0.6544189 24.71935 
1 1 1    1   17   19 o  408.404   19.667  2097.03  200.572  2237.67  283.155  1955.39  284.151  419.729   27.161  391.698   29.261 28.03046 39.92396 
1 1 1    1   17   20 o  585.509   18.497  4308.92  270.442  4476.66  382.504  4141.25  382.423  594.956   25.745  571.937   26.776 23.01947 37.14539 
1 1 1    1   17   21 o  117.365   7.9050  172.995   23.033  172.318   31.865  173.735   33.332  116.807   11.056  117.232   11.535 -0.4249878 15.97789 
1 1 1    1   17   22 o  373.488   12.503  1748.14  116.610  1782.07  164.701  1714.03  165.124  376.429   17.521  369.111   17.914 7.317200 25.05827 
1 1 1    1   17   23 o  175.682   10.032  387.636   43.827  356.713   75.327  403.462   53.887  167.314   18.329  179.007   12.127 -11.69315 21.97722 
1 1 1    1   17   24 o  225.026   11.093  634.531   62.333  670.247  108.195  616.788   76.260  229.707   19.033  221.205   13.876 8.501846 23.55428 
1 1 1    1   17   25 o  197.302   10.465  489.170   51.377  514.582   90.090  476.923   62.544  201.129   18.132  194.477   12.953 6.652069 22.28325 
1 1 1    1   17   26 f  135.520   9.4509  231.180   31.783  230.845   56.770  231.333   38.358  134.149   17.353  135.310   11.460 -1.160919 20.79587 
1 1 1    1   17   27 o  224.331   10.876  631.392   60.927  653.129  107.568  621.125   73.929  226.227   19.223  221.826   13.409 4.401535 23.43774 
1 1 1    1   17   28 o  102.297   16.118  135.270   39.812   0.0000   0.0000  135.270   39.812  ?   ?   102.297   16.118 0.000000 16.11837 
1 1 1    1   17   30 o  181.998   9.8910  416.783   44.784  501.106   82.072  381.029   53.442  198.291   16.731  173.598   12.410 24.69327 20.83060 
1 1 1    1   17   31 o  171.604   10.439  371.072   44.520  263.893   82.650  414.881   52.841  141.447   24.273  181.277   11.736 -39.83061 26.96146 
1 1 1    1   17   32 o  194.712   10.817  477.727   52.390  326.120   95.969  542.089   62.529  157.215   25.303  207.218   12.137 -50.00269 28.06343 
1 1 1    1   17   33 o  173.673   10.964  380.504   47.307  243.925   89.353  433.700   55.764  134.852   27.467  185.260   12.121 -50.40817 30.02213 
1 1 1    1   17   34 o  273.958   12.847  945.559   87.888  786.429  157.967  1016.90  105.770  245.175   26.207  283.263   15.006 -38.08769 30.19925 
1 1 1    1   17   35 f  176.881   12.520  396.014   54.943  523.966   89.477  318.569   69.612  202.286   17.898  157.323   18.045 44.96283 25.41597 
1 1 1    1   17   36 o  331.294   14.118  1386.45  116.801  1299.55  210.114  1425.32  140.512  314.946   26.976  334.677   16.867 -19.73044 31.81514 
1 1 1    1   17   37 o  214.039   11.424  578.241   60.837  436.124  120.503  626.856   70.479  180.927   27.540  222.596   12.732 -41.66878 30.34102 
1 1 1    1   17   38 o   75.208   10.562   72.516   19.290   83.843   76.330   71.743   19.937   83.588   29.436   74.715   11.016 8.872536 31.42969 
1 1 1    1   17   39 o  129.538   10.524  212.634   33.748  146.964   91.103  223.078   36.332  103.886   31.980  132.600   11.074 -28.71355 33.84341 
1 1 1    1   17   40 o   83.204   10.112   88.468   20.578   28.767   65.055   95.106   21.692   64.505   26.079   86.282   10.270 -21.77695 28.02768 
1 1 1    1   17   41 o  279.219   17.702  1008.75  122.794  895.333  193.357  1085.41  158.964  253.977   31.139  286.736   22.378 -32.75861 38.34614 
1 1 1    1   17   42 o  215.383   10.317  586.769   55.492  759.213  100.519  511.175   66.553  241.952   16.740  199.724   13.422 42.22794 21.45613 
1 1 1    1   17   43 o  181.418   10.142  418.269   45.761  580.849   94.480  368.441   52.305  210.063   18.191  169.474   12.446 40.58884 22.04112 
1 1 1    1   17   44 f  156.094   9.8609  310.298   38.240  503.497   88.182  265.552   42.438  194.727   18.351  143.688   11.935 51.03932 21.89069 
1 1 1    1   17   45 o  174.889   10.714  391.398   46.566  431.954   96.929  379.230   53.094  176.898   22.447  171.395   12.491 5.502411 25.68877 
1 1 1    1   17   46 o  111.725   15.068  165.531   40.966  382.764  127.180  140.382   43.272  156.296   33.586  101.640   17.692 54.65637 37.96024 
1 1 1    1   17   47 o   91.510   11.802  109.441   26.342   0.0000   0.0000  109.441   26.342  ?   ?    91.510   11.802 0.000000 11.80236 
1 1 1    1   18    0 o  346.278   14.174  1503.88  122.565  1813.97  211.430  1346.94  150.417  378.384   22.477  326.686   18.514 51.69836 29.12031 
1 1 1    1   18    1 o  325.102   13.137  1324.42  106.654  1466.74  183.724  1252.07  130.984  340.395   21.727  315.317   16.694 25.07736 27.40029 
1 1 1    1   18    3 o  304.823   13.028  1163.89   99.170  1253.01  170.878  1118.63  121.775  314.622   21.886  298.111   16.421 16.51096 27.36123 
1 1 1    1   18    4 o  547.846   20.090  3775.11  274.852  4290.33  476.373  3518.01  336.512  579.542   33.053  527.674   25.538 51.86798 41.76961 
1 1 1    1   18    5 o  397.773   15.413  1983.90  153.097  1973.86  264.665  1988.94  187.685  394.157   27.053  397.860   18.891 -3.702484 32.99576 
1 1 1    1   18    6 o  251.461   9.4518  790.737   59.352  917.085   84.957  670.287   82.951  270.645   12.570  230.830   14.464 39.81523 19.16277 
1 1 1    1   18    7 o  387.703   18.713  1887.98  181.174  2107.95  256.210  1667.97  256.228  407.918   25.276  361.913   28.584 46.00461 38.15672 
1 1 1    1   18    8 o  632.018   19.664  5019.71  310.344  5156.73  439.421  4883.34  438.366  638.612   27.555  621.252   28.257 17.36029 39.46751 
1 1 1    1   18    9 o  325.536   11.413  1326.03   92.777  1457.96  132.035  1197.35  130.393  341.037   15.504  308.474   16.993 32.56268 23.00255 
1 1 1    1   18   10 o  164.831   7.4871  339.543   30.818  509.928   45.653  196.897   41.772  201.954   9.0524  124.650   13.642 77.30424 16.37249 
1 1 1    1   18   11 o  406.442   13.006  2068.29  132.006  2384.17  187.592  1758.45  185.791  435.925   17.233  373.542   19.990 62.38239 26.39249 
1 1 1    1   18   12 o  227.908   8.9770  649.394   51.091  766.581   73.289  538.607   71.260  247.499   11.858  206.910   13.872 40.58839 18.24948 
1 1 1    1   18   13 o  444.598   21.124  2486.04  234.527  2157.03  332.078  2813.44  331.266  410.858   32.636  470.802   28.308 -59.94415 43.20215 
1 1 1    1   18   14 o  474.802   15.506  2825.94  183.851  2705.25  260.100  2946.46  259.910  463.547   22.470  483.939   21.507 -20.39166 31.10366 
1 1 1    1   18   15 o  625.753   19.500  4920.25  304.713  5085.40  431.285  4755.66  430.574  634.261   27.230  613.102   28.123 21.15845 39.14565 
1 1 1    1   18   16 o  406.909   13.729  2074.09  139.508  2064.73  197.458  2083.41  197.131  405.321   19.509  407.167   19.388 -1.845825 27.50409 
1 1 1    1   18   17 o  337.607   11.996  1426.80  101.136  1408.35  143.058  1445.24  142.996  334.530   17.183  339.353   16.874 -4.823181 24.08296 
1 1 1    1   18   18 o  278.005   10.449  966.993   72.542  1038.53  102.582  895.430  102.598  287.848   14.271  266.750   15.469 21.09784 21.04626 
1 1 1    1   18   19 o  430.263   14.359  2321.17  154.283  2333.40  218.085  2308.93  218.294  430.499   20.286  428.213   20.414 2.285736 28.77966 
1 1 1    1   18   20 o  239.345   13.433  720.351   79.964  626.614  111.347  820.182  114.910  222.114   20.299  254.737   18.184 -32.62317 27.25257 
1 1 1    1   18   21 o  464.294   21.778  2722.28  252.495  2939.19  356.784  2504.65  357.382  479.155   29.969  441.136   32.675 38.01984 44.33666 
1 1 1    1   18   22 o  276.612   9.6473  957.704   66.639  899.271   93.713  1017.48   94.780  267.303   14.089  284.796   13.327 -17.49255 19.39354 
1 1 1    1   18   23 o  434.981   14.139  2376.25  153.577  2297.62  216.791  2455.46  217.594  426.396   20.360  440.952   19.761 -14.55643 28.37285 
1 1 1    1   18   24 f  106.913   9.8441  144.371   25.987  149.329   43.910  141.698   32.239  107.602   16.898  105.540   12.474 2.061737 21.00341 
1 1 1    1   18   25 o  221.002   10.639  612.329   58.715  501.743  101.252  668.357   72.070  197.881   20.802  230.368   12.576 -32.48640 24.30747 
1 1 1    1   18   26 o  475.016   17.725  2852.66  210.258  2487.33  363.648  3036.12  257.700  435.439   33.705  488.787   21.113 -53.34772 39.77193 
1 1 1    1   18   27 o  168.024   9.8262  355.180   41.050  355.638   73.166  354.970   49.590  166.704   17.853  167.677   11.921 -0.9728851 21.46735 
1 1 1    1   18   28 o  107.592   18.523  150.816   47.972  150.816   47.972   0.0000   0.0000  107.592   18.523  ?   ?  0.000000 18.52329 
1 1 1    1   18   29 o  115.227   16.259  171.096   45.484   0.0000   0.0000  171.096   45.484  ?   ?   115.227   16.259 0.000000 16.25913 
1 1 1    1   18   30 o   63.710   16.148   53.319   25.725   0.0000   0.0000   53.319   25.725  ?   ?    63.710   16.148 0.000000 16.14820 
1 1 1    1   18   31 o  230.881   11.443  670.126   65.973  583.755  117.727  709.667   79.656  212.326   22.549  236.902   13.521 -24.57594 26.29168 
1 1 1    1   18   32 o   55.979   11.032   40.739   14.874   48.918   42.362   39.589   15.885   64.234   21.966   55.056   11.901 9.178455 24.98277 
1 1 1    1   18   33 o  145.534   9.8613  267.052   35.627  248.455   70.078  273.534   41.373  137.966   21.003  147.068   11.353 -9.102310 23.87526 
1 1 1    1   18   34 o  167.382   10.053  353.022   41.825  325.799   82.908  362.316   48.441  158.168   21.552  169.339   11.524 -11.17140 24.43916 
1 1 1    1   18   35 o  239.213   11.755  720.142   70.221  512.968  128.690  807.979   83.795  197.081   26.847  252.760   13.323 -55.67842 29.97117 
1 1 1    1   18   36 o  296.445   15.663  1116.29  115.542  1224.46  169.962  1023.34  157.545  307.906   22.254  281.195   22.628 26.71143 31.73750 
1 1 1    1   18   37 o  390.949   15.873  1938.73  154.962  1858.31  275.817  1975.82  187.322  374.490   29.739  393.307   19.072 -18.81696 35.32900 
1 1 1    1   18   38 o  134.764   9.6284  229.348   32.189  355.738   86.389  208.971   34.687  164.943   21.483  128.390   10.923 36.55257 24.10064 
1 1 1    1   18   39 o  261.852   12.862  867.096   84.101  733.701  161.678  916.580   98.472  233.908   28.252  268.300   14.754 -34.39230 31.87228 
1 1 1    1   18   40 o  189.798   10.006  455.072   47.255  527.911   88.156  425.704   55.976  202.098   17.645  183.001   12.321 19.09737 21.52055 
1 1 1    1   18   41 o   85.438   10.287   93.443   21.506   63.384   69.986   96.577   22.600   75.042   27.929   86.804   10.649 -11.76188 29.89066 
1 1 1    1   18   42 o  165.999   15.022  356.305   61.597  341.574  125.915  360.939   70.625  152.579   33.925  166.183   17.271 -13.60378 38.06824 
1 1 1    1   18   43 o   51.731   12.454   35.497   15.895   97.524   74.195   32.514   16.273   84.755   29.069   49.528   12.995 35.22722 31.84148 
1 1 1    1   18   44 o  132.800   10.516  225.577   34.589  274.532   86.972  216.379   37.698  139.044   26.004  129.658   11.772 9.386017 28.54441 
1 1 1    1   18   45 o  114.348   10.989  168.348   30.993  114.378   88.611  175.871   33.082   89.223   31.684  116.733   11.498 -27.51034 33.70567 
1 1 1    1   18   46 o  117.365   10.867  177.503   31.489  242.492   93.649  169.219   33.436  126.155   30.140  114.220   11.897 11.93546 32.40263 
1 1 1    1   19    0 o   26.577   10.689   3.9518   10.868   15.165   15.060  -8.2329   15.699   37.161   13.076   25.707   11.585 11.45409 17.47025 
1 1 1    1   19    1 o  469.061   17.048  2767.65  199.691  2513.84  344.168  2896.46  245.182  442.116   31.377  479.063   20.495 -36.94632 37.47747 
1 1 1    1   19    2 o  110.883   9.9415  155.105   27.235  209.201   43.873  121.188   34.740  128.404   13.905   97.179   14.781 31.22525 20.29352 
1 1 1    1   19    3 o  182.960   10.472  420.342   47.648  475.808   80.857  390.833   58.976  193.876   16.869  176.052   13.518 17.82419 21.61721 
1 1 1    1   19    4 o   68.381   16.216   61.062   27.271   0.0000   0.0000   61.062   27.271  ?   ?    68.381   16.216 0.000000 16.21602 
1 1 1    1   19    5 o  186.618   9.7953  436.879   45.489  376.333   77.537  468.654   56.171  172.070   18.327  193.118   11.703 -21.04819 21.74483 
1 1 1    1   19    6 o  543.513   17.288  3710.10  234.643  3652.78  332.198  3767.16  331.473  537.654   24.742  546.121   24.306 -8.466431 34.68370 
1 1 1    1   19    7 o  289.753   10.320  1050.41   74.670  1297.61  106.957  815.385  104.291  321.830   13.309  254.358   16.508 67.47260 21.20489 
1 1 1    1   19    8 o  397.779   13.402  1982.26  133.121  2083.14  189.060  1883.06  187.474  407.145   18.595  386.497   19.487 20.64783 26.93550 
1 1 1    1   19    9 o  329.991   16.304  1366.30  134.349  1650.31  190.438  1084.90  189.561  361.460   21.191  291.779   26.299 69.68054 33.77391 
1 1 1    1   19   10 o  427.257   14.327  2287.81  152.857  2256.27  216.706  2319.03  215.642  423.478   20.492  429.387   20.111 -5.909058 28.71209 
1 1 1    1   19   11 o  694.340   21.177  6068.50  367.182  6253.79  519.888  5884.07  518.662  702.147   29.650  680.761   30.510 21.38550 42.54403 
1 1 1    1   19   12 o  219.727   8.9910  603.704   49.333  690.719   71.155  523.156   68.459  234.571   12.189  203.912   13.521 30.65910 18.20427 
1 1 1    1   19   13 o  125.499   8.1871  197.732   25.517  212.603   37.923  185.429   34.494  129.789   11.831  121.172   11.539 8.616829 16.52621 
1 1 1    1   19   14 o  498.922   16.019  3122.85  199.584  3183.46  282.697  3062.62  281.813  502.578   22.525  492.871   22.897 9.707428 32.11931 
1 1 1    1   19   15 o  327.479   16.046  1345.57  131.220  1448.42  187.172  1246.17  184.013  338.287   22.281  313.389   23.688 24.89777 32.52070 
1 1 1    1   19   16 o  354.035   12.443  1569.78  110.010  1462.30  155.722  1676.86  155.434  340.603   18.376  365.426   17.033 -24.82333 25.05644 
1 1 1    1   19   17 o  560.370   17.817  3946.52  249.319  3939.12  352.715  3953.92  352.465  557.993   25.313  559.060   25.247 -1.066284 35.75126 
1 1 1    1   19   18 o  415.223   13.600  2161.45  141.022  1998.76  199.244  2324.76  199.627  397.839   20.121  429.867   18.597 -32.02805 27.39834 
1 1 1    1   19   19 o  163.411   8.3240  334.821   33.855  378.991   47.869  290.616   47.888  173.620   11.099  151.743   12.756 21.87724 16.90863 
1 1 1    1   19   20 o  401.400   12.855  2020.16  128.851  1869.69  181.806  2172.02  182.643  385.233   18.899  415.459   17.605 -30.22531 25.82798 
1 1 1    1   19   21 o  337.824   11.919  1430.51  100.552  1505.03  142.035  1355.63  142.370  345.906   16.443  327.683   17.462 18.22388 23.98516 
1 1 1    1   19   22 o  275.944   15.007  959.919  103.023  940.140  144.317  980.472  147.116  271.729   21.442  277.542   21.392 -5.813416 30.28827 
1 1 1    1   19   23 f  326.305   16.671  1344.96  135.392  1323.18  190.234  1367.31  192.736  321.715   23.849  327.092   23.758 -5.376678 33.66353 
1 1 1    1   19   24 o  107.070   7.8425  144.222   20.823  136.702   28.374  152.998   30.654  103.818   11.118  109.865   11.336 -6.047195 15.87784 
1 1 1    1   19   25 o  138.725   9.5937  242.304   33.030  223.065   55.935  252.604   40.928  131.766   17.427  141.376   11.698 -9.610001 20.98914 
1 1 1    1   19   26 o  366.580   14.821  1693.79  135.675  1746.59  234.696  1667.29  166.273  367.977   25.702  362.322   18.438 5.654510 31.63166 
1 1 1    1   19   27 o  111.202   9.5005  156.164   26.129  156.674   46.051  155.922   31.732  109.974   17.343  110.803   11.642 -0.8293839 20.88847 
1 1 1    1   19   28 o  182.753   10.327  420.506   46.937  362.099   82.012  448.958   57.239  167.548   19.996  188.548   12.223 -21.00021 23.43600 
1 1 1    1   19   29 f   70.459   12.248   64.227   20.769   0.0000   0.0000   64.227   20.769  ?   ?    70.459   12.248 0.000000 12.24829 
1 1 1    1   19   30 o   81.682   16.598   87.469   32.702   0.0000   0.0000   87.469   32.702  ?   ?    81.682   16.598 0.000000 16.59844 
1 1 1    1   19   31 o  252.215   20.475  817.045  127.842   0.0000   0.0000  817.045  127.842  ?   ?   252.215   20.475 0.000000 20.47472 
1 1 1    1   19   32 o   71.291   10.185   65.088   17.617  120.196   43.738   54.416   19.247   95.577   18.995   64.690   12.365 30.88670 22.66496 
1 1 1    1   19   33 o  224.988   11.478  638.266   64.276  553.463  115.899  675.933   77.243  206.421   22.868  231.137   13.441 -24.71667 26.52564 
1 1 1    1   19   34 o  266.456   12.451  894.281   82.846  777.317  148.090  947.560   99.949  244.242   24.616  273.433   14.692 -29.19064 28.66686 
1 1 1    1   19   35 f  275.170   11.957  953.334   82.163  1067.33  149.399  903.904   98.376  288.008   20.915  266.955   14.815 21.05295 25.63098 
1 1 1    1   19   36 o  109.843   9.9285  152.768   26.939  116.893   66.159  159.898   29.495   93.519   26.892  112.284   10.646 -18.76532 28.92309 
1 1 1    1   19   37 o  137.283   14.324  240.917   48.383  190.681   82.815  266.950   59.615  118.299   28.394  143.964   16.904 -25.66471 33.04517 
1 1 1    1   19   38 o  136.535   14.851  239.038   49.817  182.206   86.553  267.192   60.919  115.099   29.858  143.801   17.312 -28.70210 34.51449 
1 1 1    1   19   39 o  321.936   12.957  1311.44  104.165  1598.74  194.483  1195.87  123.350  350.280   22.350  305.884   16.206 44.39633 27.60772 
1 1 1    1   19   40 o  264.547   12.152  885.811   80.278  967.412  157.644  857.242   93.278  270.597   23.565  259.135   14.472 11.46201 27.65396 
1 1 1    1   19   41 o  197.600   9.5904  492.380   47.323  623.072   88.857  440.633   55.913  219.690   16.313  186.012   12.103 33.67815 20.31263 
1 1 1    1   19   42 o   72.201   10.564   67.338   18.484  148.073   70.505   61.380   19.153  102.365   27.140   68.638   11.587 33.72701 29.51052 
1 1 1    1   19   43 o  167.107   10.045  355.078   41.724  412.599   87.071  337.933   47.538  175.610   20.225  162.450   11.799 13.15953 23.41480 
1 1 1    1   19   44 o   75.956   15.859   77.609   29.109   14.736  111.273   82.228   30.159   73.172   32.014   78.197   15.984 -5.025352 35.78247 
1 1 1    1   19   45 o  269.171   11.907  928.682   80.035  961.852  133.350  910.005  100.062  266.990   20.149  263.894   15.249 3.096191 25.26912 
1 1 1    1   19   46 o  244.459   14.571  780.931   88.548   0.0000   0.0000  780.931   88.548  ?   ?   244.459   14.571 0.000000 14.57138 
1 1 1    1   20    0 o   48.909   20.111   9.8818   39.488   0.0000   0.0000   9.8818   39.488  ?   ?    48.909   20.111 0.000000 20.11108 
1 1 1    1   20    1 o  479.877   32.363  2985.61  385.549  2985.61  385.549   0.0000   0.0000  479.877   32.363  ?   ?  0.000000 32.36261 
1 1 1    1   20    2 o  462.242   17.319  2691.98  199.912  2582.37  344.977  2747.40  245.298  447.323   31.076  465.971   21.081 -18.64758 37.55124 
1 1 1    1   20    3 o   82.431   10.004   86.320   20.170   62.760   31.953  101.926   26.006   69.327   18.219   89.389   11.950 -20.06168 21.78795 
1 1 1    1   20    4 o  289.177   12.500  1048.40   90.267  1108.93  155.411  1017.59  110.889  295.544   21.198  284.137   15.689 11.40717 26.37265 
1 1 1    1   20    5 o  133.297   16.337  226.596   53.244   0.0000   0.0000  226.596   53.244  ?   ?   133.297   16.337 0.000000 16.33744 
1 1 1    1   20    6 o  472.107   17.927  2804.06  211.342  3070.66  366.244  2670.96  258.774  489.835   30.087  459.761   22.539 30.07465 37.59301 
1 1 1    1   20    7 o  183.623   8.6803  421.716   39.803  433.049   58.055  411.664   54.676  185.474   12.609  180.867   12.176 4.606964 17.52898 
1 1 1    1   20    8 o  280.856   10.616  987.344   74.454  1056.12  106.551  921.725  104.079  289.764   14.774  270.551   15.469 19.21368 21.39112 
1 1 1    1   20    9 o  410.531   13.531  2112.66  138.711  2259.95  197.182  1968.35  195.168  423.853   18.630  395.379   19.767 28.47424 27.16245 
1 1 1    1   20   10 o  317.684   16.382  1270.64  129.522  1198.62  183.021  1342.91  183.324  307.037   24.063  325.404   22.703 -18.36655 33.08221 
1 1 1    1   20   11 o  631.824   28.051  5067.52  442.589  5427.58  626.604  4709.04  625.227  647.950   38.906  601.754   41.868 46.19611 57.15425 
1 1 1    1   20   12 o  356.912   12.532  1595.83  111.693  1641.48  158.940  1551.29  156.994  361.396   17.612  350.829   17.980 10.56747 25.16869 
1 1 1    1   20   13 o  248.078   9.7405  769.977   60.342  837.368   86.688  706.634   84.045  258.117   13.496  236.955   14.270 21.16176 19.64123 
1 1 1    1   20   14 o  570.427   18.089  4091.80  257.664  4090.70  364.816  4092.90  363.970  568.296   25.707  568.470   25.639 -0.1739502 36.30731 
1 1 1    1   20   15 o  169.466   7.9251  359.085   33.538  441.677   49.106  286.881   45.915  187.552   10.527  150.827   12.298 36.72536 16.18816 
1 1 1    1   20   16 o  336.729   14.399  1422.59  121.082  1016.18  209.914  1625.23  148.226  280.725   30.431  359.642   16.504 -78.91647 34.61877 
1 1 1    1   20   17 o  424.444   20.190  2271.76  213.997  2239.11  303.606  2303.99  301.677  418.167   29.259  424.433   28.630 -6.265656 40.93619 
1 1 1    1   20   18 o  288.435   10.570  1041.75   76.133  1069.46  107.740  1014.11  107.598  291.468   14.852  283.744   15.241 7.724365 21.28074 
1 1 1    1   20   19 o  245.261   9.6963  752.995   59.386  808.766   84.104  697.540   83.866  253.547   13.330  235.269   14.343 18.27774 19.58123 
1 1 1    1   20   20 o  668.228   20.846  5646.20  347.857  5752.12  492.010  5540.34  491.877  670.322   29.393  657.552   29.955 12.76929 41.96739 
1 1 1    1   20   21 o  189.883   8.5353  451.221   40.472  410.206   56.551  494.286   57.947  180.367   12.635  198.190   11.761 -17.82352 17.26188 
1 1 1    1   20   22 f  272.283   9.6017  928.596   65.286  862.297   91.668  996.843   93.004  261.539   14.087  281.716   13.220 -20.17697 19.31923 
1 1 1    1   20   23 o  327.873   10.819  1348.08   88.585  1153.60  124.472  1547.68  126.100  301.983   16.569  350.723   14.398 -48.73996 21.95081 
1 1 1    1   20   24 o  349.173   17.652  1545.24  153.415  1558.22  215.680  1531.95  218.266  348.080   24.979  344.898   25.523 3.182159 35.71282 
1 1 1    1   20   25 o   80.113   12.635   82.620   24.440   84.581   30.694   79.223   40.399   80.504   15.832   77.568   20.534 2.936539 25.92892 
1 1 1    1   20   26 o  257.485   15.174  839.504   97.134   0.0000   0.0000  839.504   97.134  ?   ?   257.485   15.174 0.000000 15.17372 
1 1 1    1   20   27 o  186.294   17.784  443.880   81.727  443.880   81.727   0.0000   0.0000  186.294   17.784  ?   ?  0.000000 17.78372 
1 1 1    1   20   28 o  218.423   11.137  600.997   60.543  563.892  104.430  619.782   74.305  209.423   20.220  221.365   13.506 -11.94199 24.31625 
1 1 1    1   20   29 o  130.964   9.4643  216.270   30.744  174.155   53.949  236.524   37.413  115.483   19.395  136.757   11.050 -21.27365 22.32167 
1 1 1    1   20   30 o  161.670   11.927  330.598   47.811   0.0000   0.0000  330.598   47.811  ?   ?   161.670   11.927 0.000000 11.92676 
1 1 1    1   20   31 f  174.792   17.553  391.618   75.580   0.0000   0.0000  391.618   75.580  ?   ?   174.792   17.553 0.000000 17.55256 
1 1 1    1   20   32 o   76.096   16.578   76.180   30.612   0.0000   0.0000   76.180   30.612  ?   ?    76.096   16.578 0.000000 16.57832 
1 1 1    1   20   33 o  310.209   16.974  1224.62  130.992  1108.19  187.361  1335.94  183.210  291.347   26.026  321.578   22.966 -30.23181 34.71020 
1 1 1    1   20   34 o  348.235   14.587  1532.87  126.845  1405.22  222.688  1594.18  154.329  327.355   27.496  354.199   17.448 -26.84390 32.56478 
1 1 1    1   20   35 o  295.001   12.100  1096.16   89.139  1215.80  160.259  1042.56  107.262  307.337   21.007  286.642   15.037 20.69592 25.83455 
1 1 1    1   20   36 o  187.083   10.374  441.277   48.275  465.936   95.515  432.816   55.947  189.683   20.490  184.936   12.183 4.747574 23.83839 
1 1 1    1   20   37 o  121.232   10.804  186.370   32.366   69.225   73.365  214.679   36.065   78.683   28.714  130.110   11.209 -51.42674 30.82443 
1 1 1    1   20   38 o  237.740   13.047  716.584   77.159  436.998  143.540  830.201   91.503  177.559   33.603  255.535   14.398 -77.97580 36.55808 
1 1 1    1   20   39 o  197.159   14.432  496.242   70.562  486.293  111.978  502.794   90.875  191.579   23.928  197.023   18.694 -5.443161 30.36483 
1 1 1    1   20   40 o  260.189   11.584  856.203   75.263  916.661  148.830  835.429   87.240  263.574   22.838  256.021   13.695 7.553864 26.62922 
1 1 1    1   20   41 o   96.417   10.229  118.701   24.253  115.680   65.616  119.179   26.101   91.472   26.921   96.441   11.037 -4.969231 29.09517 
1 1 1    1   20   42 o   84.955   11.454   93.217   23.681   30.389   68.335  101.792   25.245   65.079   26.573   88.786   11.669 -23.70734 29.02179 
1 1 1    1   20   43 o   54.387   11.516   39.039   15.153  177.824   70.756   32.368   15.513  111.902   25.843   49.392   12.551 62.50976 28.72928 
1 1 1    1   20   44 o   67.866   11.017   60.109   18.030  123.386   74.632   56.187   18.580   92.107   29.042   65.364   11.818 26.74274 31.35467 
1 1 1    1   20   45 o  181.592   11.176  422.957   50.435  328.390   98.877  456.215   58.637  150.394   27.335  187.973   12.564 -37.57875 30.08399 
1 1 1    1   20   46 o   60.342   16.151   49.575   24.819   0.0000   0.0000   49.575   24.819  ?   ?    60.342   16.151 0.000000 16.15124 
1 1 1    1   21    0 o  530.120   35.978  3730.29  473.464  3730.29  473.464   0.0000   0.0000  530.120   35.978  ?   ?  0.000000 35.97830 
1 1 1    1   21    1 o  130.702   11.921  216.311   38.480  186.426   49.671  261.166   60.853  120.323   17.005  142.703   17.440 -22.37977 24.35798 
1 1 1    1   21    2 o  205.939   10.700  533.291   54.839  511.937   92.574  544.836   68.068  200.302   18.725  207.788   13.186 -7.486267 22.90204 
1 1 1    1   21    3 o  385.153   15.268  1867.61  146.846  1992.82  253.589  1804.44  180.118  394.020   25.917  377.217   19.184 16.80283 32.24524 
1 1 1    1   21    4 o   83.932   10.291   89.578   21.117  130.335   34.384   64.893   26.759  100.892   14.027   70.445   15.621 30.44649 20.99425 
1 1 1    1   21    5 o  380.307   15.070  1818.74  143.116  1899.62  247.358  1778.04  175.467  385.220   25.864  375.308   18.722 9.912689 31.92894 
1 1 1    1   21    6 o  246.671   11.421  762.676   70.352  904.670  121.626  691.280   86.244  267.229   18.337  234.070   14.831 33.15852 23.58429 
1 1 1    1   21    7 o  348.844   18.005  1537.43  156.315  1483.77  224.634  1587.81  217.655  340.323   26.645  352.682   24.873 -12.35904 36.45029 
1 1 1    1   21    8 o   98.491   8.5427  122.272   20.803  151.866   32.850  102.458   26.879  109.387   12.235   89.567   12.346 19.82059 17.38164 
1 1 1    1   21    9 o  313.946   11.202  1234.77   87.823  1469.56  125.866  1012.02  122.598  342.078   14.734  283.025   17.431 59.05215 22.82430 
1 1 1    1   21   10 o  735.577   22.867  6848.62  420.031  6928.27  594.654  6769.31  593.374  734.839   32.406  726.169   32.722 8.669983 46.05284 
1 1 1    1   21   11 o  570.680   17.734  4099.60  252.723  4506.17  358.641  3698.60  356.181  596.270   24.086  539.382   26.444 56.88818 35.76884 
1 1 1    1   21   12 o  127.899   11.848  206.725   37.410  264.499   54.289  154.483   51.624  144.314   15.297  109.060   19.680 35.25405 24.92600 
1 1 1    1   21   13 o  388.929   13.544  1897.73  131.546  1811.79  186.784  1982.30  185.293  378.490   19.831  396.645   18.707 -18.15533 27.26225 
1 1 1    1   21   14 o  840.961   25.732  8985.17  540.385  8988.47  764.620  8981.87  763.820  833.694   36.727  833.408   36.701 0.2858276 51.92187 
1 1 1    1   21   15 o  491.733   15.693  3039.25  192.702  3217.40  273.258  2863.01  271.791  504.419   21.694  475.490   22.890 28.92969 31.53656 
1 1 1    1   21   16 o  108.319   7.6265  147.458   20.497  201.343   31.702  108.752   26.869  126.403   10.129   92.387   11.925 34.01588 15.64566 
1 1 1    1   21   17 o  504.835   16.469  3207.25  207.614  3176.53  293.841  3237.86  293.382  500.382   23.516  505.279   23.252 -4.896912 33.07003 
1 1 1    1   21   18 o  424.957   20.610  2283.96  218.710  2048.58  310.041  2517.11  308.569  397.981   31.453  442.900   28.044 -44.91928 42.13975 
1 1 1    1   21   19 o  364.038   14.653  1666.10  133.209  1634.50  163.707  1728.03  229.164  359.430   18.300  367.504   25.122 -8.073364 31.07998 
1 1 1    1   21   20 o  701.696   21.762  6247.21  381.333  6237.55  539.314  6256.87  539.259  695.442   31.055  696.555   31.002 -1.113525 43.88098 
1 1 1    1   21   21 o  251.861   10.135  795.008   63.743  718.248   89.787  873.009   90.509  238.373   15.162  263.150   13.822 -24.77667 20.51678 
1 1 1    1   21   22 o  188.184   9.1491  443.621   42.994  492.250   60.434  393.785   61.179  197.593   12.309  176.370   14.006 21.22333 18.64625 
1 1 1    1   21   23 o  496.146   16.120  3107.19  199.718  3161.12  282.213  3053.07  282.674  497.790   22.703  489.003   23.149 8.787811 32.42336 
1 1 1    1   21   24 o  325.734   11.720  1332.98   95.329  1355.47  134.447  1310.24  135.187  327.080   16.514  321.452   16.900 5.628113 23.62906 
1 1 1    1   21   25 o  193.703   19.281  481.249   92.027   0.0000   0.0000  481.249   92.027  ?   ?   193.703   19.281 0.000000 19.28143 
1 1 1    1   21   26 o  190.951   14.799  462.941   70.014  690.792   97.242  217.673  100.890  232.981   16.827  126.449   31.941 106.5319 36.10245 
1 1 1    1   21   27 o   78.651   20.620   81.811   40.995   0.0000   0.0000   81.811   40.995  ?   ?    78.651   20.620 0.000000 20.62019 
1 1 1    1   21   28 o  249.492   15.155  789.548   93.972   0.0000   0.0000  789.548   93.972  ?   ?   249.492   15.155 0.000000 15.15485 
1 1 1    1   21   29 o   60.412   11.054   47.291   16.061   29.998   26.602   57.211   20.147   50.749   17.406   66.324   12.626 -15.57555 21.50324 
1 1 1    1   21   30 o  325.159   13.377  1333.33  108.620  1138.76  187.730  1431.24  133.177  295.602   25.687  336.211   15.862 -40.60815 30.19002 
1 1 1    1   21   31 o  399.026   19.407  2030.48  193.380   0.0000   0.0000  2030.48  193.380  ?   ?   399.026   19.407 0.000000 19.40711 
1 1 1    1   21   32 o  164.690   17.360  348.101   70.320   0.0000   0.0000  348.101   70.320  ?   ?   164.690   17.360 0.000000 17.36021 
1 1 1    1   21   33 o  185.085   17.873  439.493   81.580   0.0000   0.0000  439.493   81.580  ?   ?   185.085   17.873 0.000000 17.87309 
1 1 1    1   21   34 o   66.039   16.225   57.477   26.565   0.0000   0.0000   57.477   26.565  ?   ?    66.039   16.225 0.000000 16.22523 
1 1 1    1   21   35 o  132.952   9.8245  223.212   32.387  212.584   64.511  226.794   37.448  127.203   21.045  133.777   11.316 -6.573860 23.89403 
1 1 1    1   21   36 o  196.134   9.6224  483.199   47.129  629.841   91.941  430.934   54.889  222.005   16.707  184.545   11.975 37.45964 20.55525 
1 1 1    1   21   37 o  220.002   11.422  611.403   62.533  516.118  117.571  648.991   73.844  198.001   24.288  226.268   13.125 -28.26723 27.60729 
1 1 1    1   21   38 o  322.090   13.712  1314.01  110.289  1287.48  197.922  1325.95  132.822  312.471   25.589  322.102   16.569 -9.630798 30.48515 
1 1 1    1   21   39 f   74.524   10.352   71.294   18.746   95.225   68.034   69.327   19.500   85.260   27.811   73.346   10.985 11.91366 29.90218 
1 1 1    1   21   40 o   56.448   10.892   41.585   14.797   73.060   68.082   40.025   15.159   77.679   27.752   55.276   11.362 22.40264 29.98790 
1 1 1    1   21   41 o   74.666   17.199   74.721   31.407   41.643   77.737   81.173   34.334   71.014   28.578   77.695   18.042 -6.680641 33.79691 
1 1 1    1   21   42 o   83.644   10.632   90.045   21.707   67.467   64.278   92.951   23.061   74.247   26.910   84.880   11.150 -10.63260 29.12875 
1 1 1    1   21   43 o   88.065   10.671   99.908   22.988  133.344   69.564   95.809   24.356   96.221   27.549   85.961   11.646 10.25922 29.90910 
1 1 1    1   21   44 o   74.756   11.649   73.004   21.038 -43.1417   72.165   83.792   21.994   51.452   23.803   80.297   11.280 -28.84548 26.34020 
1 1 1    1   21   45 o  197.048   12.680  501.708   62.062   0.0000   0.0000  501.708   62.062  ?   ?   197.048   12.680 0.000000 12.67995 
1 1 1    1   22    0 o  361.577   14.605  1652.71  131.873  1640.61  226.607  1658.91  162.160  354.861   25.747  361.111   17.983 -6.249695 31.40532 
1 1 1    1   22    1 o   62.362   12.132   50.592   18.213  113.569   28.186   5.4434   23.865   94.219   12.271   37.830   15.604 56.38958 19.85102 
1 1 1    1   22    2 o  362.339   14.696  1656.72  132.973  1825.16  229.375  1571.46  163.194  376.050   24.561  351.289   18.670 24.76123 30.85144 
1 1 1    1   22    3 o  313.543   16.806  1246.69  131.107  1337.42  183.883  1152.87  186.983  322.670   22.971  298.559   25.318 24.11118 34.18586 
1 1 1    1   22    4 o  274.809   12.227  948.927   83.911  1124.95  144.595  859.547  103.035  297.133   19.597  260.507   15.915 36.62589 25.24559 
1 1 1    1   22    5 o  303.649   12.580  1158.51   95.387  1202.47  164.414  1136.21  117.111  306.770   21.600  299.790   15.698 6.979919 26.70196 
1 1 1    1   22    6 o  200.469   10.598  505.299   52.866  619.245   91.141  447.523   64.899  220.941   16.641  188.130   13.913 32.81087 21.69115 
1 1 1    1   22    7 o  292.603   12.748  1075.25   93.145  1221.53  161.523  1002.38  114.012  309.651   21.013  281.540   16.286 28.11078 26.58552 
1 1 1    1   22    8 o  397.309   20.392  2004.29  201.634  1783.70  288.102  2216.08  282.293  370.494   31.436  415.111   27.386 -44.61670 41.69236 
1 1 1    1   22    9 o  148.660   11.039  278.570   40.687  281.783   81.218  277.494   47.012  147.309   22.816  148.123   12.837 -0.8147125 26.17945 
1 1 1    1   22   10 o  246.480   10.246  761.152   63.063  768.391   91.059  754.480   87.423  246.748   14.847  244.577   14.377 2.170792 20.66735 
1 1 1    1   22   11 o  170.096   9.0404  363.219   38.262  459.405   57.255  285.597   51.434  190.994   12.066  150.147   13.875 40.84723 18.38759 
1 1 1    1   22   12 o  479.949   15.564  2898.46  186.542  2997.78  264.832  2800.66  262.801  486.302   21.808  469.849   22.399 16.45358 31.26141 
1 1 1    1   22   13 o  572.800   18.158  4139.92  259.725  4225.09  368.134  4055.50  366.486  575.693   25.607  563.829   26.029 11.86426 36.51366 
1 1 1    1   22   14 o  399.502   18.747  2015.44  187.023  2366.48  265.323  1668.77  263.666  430.421   24.790  359.393   29.643 71.02795 38.64267 
1 1 1    1   22   15 o  308.237   11.004  1191.02   84.697  1334.26  120.993  1053.38  118.601  325.712   14.876  288.704   16.519 37.00793 22.23004 
1 1 1    1   22   16 o  516.866   16.781  3367.36  216.593  3241.42  306.653  3492.74  305.967  504.490   24.341  524.081   23.379 -19.59094 33.75016 
1 1 1    1   22   17 o   86.627   9.2831   95.046   19.769  100.538   30.623   91.123   25.885   88.301   14.383   84.269   12.695 4.032829 19.18382 
1 1 1    1   22   18 o   46.251   11.196   27.904   12.792   41.244   22.511   21.542   15.546   56.361   15.507   41.790   13.263 14.57067 20.40585 
1 1 1    1   22   19 o  380.052   13.161  1815.36  124.905  1956.87  177.138  1675.42  176.151  393.458   18.029  363.192   19.493 30.26627 26.55228 
1 1 1    1   22   20 o   78.202   13.735   79.153   25.843   26.684   42.006  111.107   32.781   55.735   21.435   92.838   14.624 -37.10294 25.94825 
1 1 1    1   22   21 o  394.447   13.158  1956.96  129.611  1943.34  183.225  1970.60  183.371  391.606   18.736  394.379   18.619 -2.772980 26.41466 
1 1 1    1   22   22 o  233.038   9.4349  680.780   54.905  701.090   77.494  660.308   77.802  235.674   13.221  228.605   13.692 7.069351 19.03310 
1 1 1    1   22   23 o  471.481   15.488  2807.17  182.347  2863.79  257.779  2750.45  257.978  473.605   21.796  463.914   22.269 9.690918 31.16031 
1 1 1    1   22   24 o  291.378   11.166  1066.66   81.246  1084.87  114.383  1048.12  115.423  292.563   15.714  287.431   16.146 5.131714 22.53058 
1 1 1    1   22   25 o  227.391   9.5026  648.639   53.959  668.008   75.640  628.569   76.997  229.886   13.232  222.831   13.907 7.055054 19.19591 
1 1 1    1   22   26 o   96.979   7.8806  118.591   18.920  111.203   25.269  128.017   28.542   93.430   11.044  100.237   11.618 -6.806892 16.02973 
1 1 1    1   22   27 o  138.454   12.012  243.018   41.118  234.638   54.119  254.460   63.240  135.150   16.369  140.301   18.501 -5.151230 24.70339 
1 1 1    1   22   28 o   98.381   20.439  128.029   48.572   0.0000   0.0000  128.029   48.572  ?   ?    98.381   20.439 0.000000 20.43872 
1 1 1    1   22   29 o  177.566   18.755  405.756   81.902   0.0000   0.0000  405.756   81.902  ?   ?   177.566   18.755 0.000000 18.75453 
1 1 1    1   22   30 o  259.050   15.005  851.534   96.651   0.0000   0.0000  851.534   96.651  ?   ?   259.050   15.005 0.000000 15.00503 
1 1 1    1   22   31 o   83.123   10.307   88.112   20.936   26.732   35.918  119.697   25.766   52.954   19.949   96.990   10.823 -44.03553 22.69590 
1 1 1    1   22   32 o  112.615   9.8805  160.464   27.505  106.045   48.618  186.079   33.356   89.170   21.975  121.131   11.153 -31.96138 24.64331 
1 1 1    1   22   33 o  229.920   13.685  669.792   78.216   0.0000   0.0000  669.792   78.216  ?   ?   229.920   13.685 0.000000 13.68465 
1 1 1    1   22   34 o   67.804   16.869   60.681   28.445   0.0000   0.0000   60.681   28.445  ?   ?    67.804   16.869 0.000000 16.86855 
1 1 1    1   22   35 o  259.706   20.877  870.763  134.253   0.0000   0.0000  870.763  134.253  ?   ?   259.706   20.877 0.000000 20.87744 
1 1 1    1   22   36 o  280.485   21.872  1019.54  151.983   0.0000   0.0000  1019.54  151.983  ?   ?   280.485   21.872 0.000000 21.87155 
1 1 1    1   22   37 o   80.658   9.3112   82.809   18.410  163.357   51.051   70.769   19.738  111.481   19.020   74.178   10.988 37.30360 21.96615 
1 1 1    1   22   38 o  270.549   12.424  925.362   83.940  842.840  151.837  961.684  100.733  252.813   24.352  274.747   14.736 -21.93315 28.46326 
1 1 1    1   22   39 o   48.258   12.144   30.612   14.623   14.362   56.352   31.785   15.142   57.370   23.847   49.161   12.350 8.208977 26.85528 
1 1 1    1   22   40 o  111.220   10.919  157.847   29.935  152.383   77.881  158.794   32.426  104.180   28.915  111.346   11.844 -7.166260 31.24649 
1 1 1    1   22   41 o  126.672   12.517  206.060   39.076   79.180   87.045  238.083   43.731   82.293   31.043  136.094   13.027 -53.80139 33.66584 
1 1 1    1   22   42 o  116.121   9.9098  171.891   28.461  190.408   64.284  167.377   31.741  117.633   22.706  114.232   11.274 3.401009 25.35111 
1 1 1    1   22   43 o   41.568   15.901   16.177   23.039   77.197   76.917   10.162   24.147   78.593   29.274   39.461   15.911 39.13258 33.31850 
1 1 1    1   22   44 o  172.017   10.394  377.970   44.439  357.997   82.298  386.190   52.798  162.086   20.813  173.116   12.293 -11.03073 24.17275 
1 1 1    1   22   45 o   96.093   10.003  118.759   23.652   0.0000   0.0000  118.759   23.652  ?   ?    96.093   10.003 0.000000 10.00296 
1 1 1    1   23    0 o   47.755   16.255   26.906   23.198   0.0000   0.0000   26.906   23.198  ?   ?    47.755   16.255 0.000000 16.25542 
1 1 1    1   23    1 o  222.392   10.681  622.249   59.318  564.222  100.171  653.586   73.613  209.128   19.402  227.142   13.032 -18.01422 23.37284 
1 1 1    1   23    2 o   92.211   10.362  108.195   23.447  147.290   37.872   83.897   29.856  106.965   14.556   80.065   15.493 26.90039 21.25849 
1 1 1    1   23    3 o  322.754   13.441  1314.31  108.335  1524.23  186.973  1208.21  132.921  344.008   21.879  307.927   17.357 36.08090 27.92745 
1 1 1    1   23    4 o  205.077   10.362  529.501   52.895  606.069   90.250  489.439   65.283  218.064   16.700  196.594   13.377 21.47052 21.39761 
1 1 1    1   23    5 o  279.907   15.818  993.736  110.113  1161.71  154.777  821.590  156.687  301.091   20.711  251.307   25.312 49.78371 32.70571 
1 1 1    1   23    6 o  279.215   12.180  980.352   84.927  1047.00  146.726  946.774  104.146  285.950   20.688  273.416   15.315 12.53381 25.73959 
1 1 1    1   23    7 o   94.938   9.8299  114.230   22.967  209.568   40.200   68.033   27.983  128.471   12.697   72.014   15.979 56.45661 20.40883 
1 1 1    1   23    8 o   66.667   11.330   57.336   18.188   42.063   32.385   64.374   21.982   58.663   19.190   70.453   12.973 -11.78989 23.16384 
1 1 1    1   23    9 o  225.951   10.022  640.159   56.551  641.672   82.281  638.804   77.852  225.204   14.712  224.849   13.934 0.3543243 20.26311 
1 1 1    1   23   10 o  244.143   15.001  753.851   91.015  711.667  135.144  788.864  123.124  235.054   23.332  248.560   20.006 -13.50645 30.73471 
1 1 1    1   23   11 o  377.265   12.197  1787.74  114.906  2108.07  164.513  1482.61  160.561  408.767   16.117  341.647   18.893 67.12012 24.83337 
1 1 1    1   23   12 o  154.697   8.6475  300.621   33.272  341.673   50.552  269.246   44.194  164.462   12.400  145.908   12.242 18.55399 17.42530 
1 1 1    1   23   13 o  151.769   8.4852  289.314   32.030  372.702   48.949  226.872   42.357  171.947   11.465  133.758   12.839 38.18935 17.21305 
1 1 1    1   23   14 o  181.891   9.3379  415.601   42.271  423.739   62.042  408.550   57.750  183.043   13.672  179.834   12.946 3.208618 18.82888 
1 1 1    1   23   15 o   93.745   13.149  112.602   29.935  180.432   42.682   46.932   41.997  118.817   14.699   63.512   21.865 55.30463 26.34668 
1 1 1    1   23   16 o  408.701   14.046  2102.50  143.355  2075.45  203.544  2129.13  201.937  404.345   20.158  409.679   19.739 -5.334534 28.21308 
1 1 1    1   23   17 o  149.627   8.9030  281.457   33.116  271.960   48.595  289.691   45.249  146.426   13.440  151.383   12.070 -4.957214 18.06417 
1 1 1    1   23   18 o  331.842   12.111  1383.72  100.362  1428.86  142.573  1339.38  141.302  335.748   17.061  324.916   17.479 10.83191 24.42552 
1 1 1    1   23   19 o  206.753   9.5106  535.914   49.103  567.147   70.320  506.192   68.597  211.864   13.360  200.023   13.818 11.84119 19.22040 
1 1 1    1   23   20 o  110.285   8.2937  153.209   22.674  174.289   33.384  135.158   30.892  117.223   11.555  102.968   12.255 14.25455 16.84318 
1 1 1    1   23   21 o  210.247   11.103  556.780   58.089  385.503  100.751  642.067   71.096  171.744   24.160  225.533   12.675 -53.78894 27.28275 
1 1 1    1   23   22 o  145.205   13.668  268.047   48.977  151.389   71.974  368.652   66.839  106.147   27.069  170.016   15.929 -63.86892 31.40764 
1 1 1    1   23   23 o  462.921   15.150  2708.20  175.132  2775.28  247.568  2641.00  247.779  465.907   21.279  454.208   21.845 11.69864 30.49597 
1 1 1    1   23   24 o  153.400   13.146  298.699   49.873   0.0000   0.0000  298.699   49.873  ?   ?   153.400   13.146 0.000000 13.14637 
1 1 1    1   23   25 o  328.897   16.609  1374.85  135.970  1374.85  135.970   0.0000   0.0000  328.897   16.609  ?   ?  0.000000 16.60884 
1 1 1    1   23   26 o  138.137   8.2122  240.009   28.201  267.752   38.864  209.157   40.984  145.567   10.768  128.174   12.984 17.39282 16.86784 
1 1 1    1   23   27 o  119.357   8.1878  179.400   24.257  147.300   32.965  217.302   35.821  107.419   12.524  131.003   11.053 -23.58360 16.70416 
1 1 1    1   23   28 o  130.315   7.7963  213.550   25.254  197.031   34.320  233.057   37.296  124.679   11.140  135.686   11.104 -11.00717 15.72948 
1 1 1    1   23   29 o   98.909   21.337  130.015   51.153   0.0000   0.0000  130.015   51.153  ?   ?    98.909   21.337 0.000000 21.33715 
1 1 1    1   23   30 o   98.135   20.643  127.696   48.985   0.0000   0.0000  127.696   48.985  ?   ?    98.135   20.643 0.000000 20.64319 
1 1 1    1   23   31 o  166.247   18.736  356.564   76.425   0.0000   0.0000  356.564   76.425  ?   ?   166.247   18.736 0.000000 18.73584 
1 1 1    1   23   32 o  385.782   15.513  1885.75  149.452  2005.69  258.653  1825.64  183.112  391.571   26.610  377.530   19.489 14.04181 32.98360 
1 1 1    1   23   33 o  220.551   10.618  611.655   58.481  527.535  101.011  654.067   71.724  202.016   20.298  227.387   12.682 -25.37114 23.93392 
1 1 1    1   23   34 o  235.081   11.247  695.656   66.023  611.926  114.812  737.024   80.701  217.214   21.447  241.188   13.453 -23.97400 25.31651 
1 1 1    1   23   35 o  109.411   11.216  152.265   30.211   0.0000   0.0000  152.265   30.211  ?   ?   109.411   11.216 0.000000 11.21573 
1 1 1    1   23   36 o  180.199   17.618  418.062   78.267   0.0000   0.0000  418.062   78.267  ?   ?   180.199   17.618 0.000000 17.61847 
1 1 1    1   23   37 o  312.496   23.612  1278.18  182.898   0.0000   0.0000  1278.18  182.898  ?   ?   312.496   23.612 0.000000 23.61190 
1 1 1    1   23   38 o  250.812   20.529  818.881  127.449   0.0000   0.0000  818.881  127.449  ?   ?   250.812   20.529 0.000000 20.52865 
1 1 1    1   23   39 o  185.092   10.925  434.252   50.271  383.511   94.961  454.009   59.255  169.577   23.020  188.798   12.641 -19.22147 26.26244 
1 1 1    1   23   40 o   91.812   8.9718  107.193   20.307  124.176   58.383  104.855   21.659   94.804   24.488   90.654   9.7193 4.149712 26.34667 
1 1 1    1   23   41 o   89.896   10.285  103.562   22.672  123.268   64.953  100.828   24.194   93.668   26.552   88.476   11.201 5.192596 28.81775 
1 1 1    1   23   42 o   92.254   10.998  109.626   24.838   25.048   57.284  129.209   27.564   59.577   24.328  100.202   11.208 -40.62520 26.78553 
1 1 1    1   23   43 o  101.808   10.188  132.925   25.554   90.029   63.121  141.334   27.947   80.626   26.812  104.833   10.832 -24.20705 28.91742 
1 1 1    1   23   44 o  227.638   12.916  669.157   73.121   0.0000   0.0000  669.157   73.121  ?   ?   227.638   12.916 0.000000 12.91630 
1 1 1    1   24    0 o   68.619   11.616   61.047   19.194   76.828   29.699   49.728   25.153   76.239   16.104   61.336   16.186 14.90256 22.83284 
1 1 1    1   24    1 o  130.278   16.887  220.090   53.646   0.0000   0.0000  220.090   53.646  ?   ?   130.278   16.887 0.000000 16.88714 
1 1 1    1   24    2 f  118.610   9.9142  178.169   29.096  221.962   48.049  152.815   36.561  131.431   14.903  109.032   13.733 22.39838 20.26558 
1 1 1    1   24    3 o   40.868   12.884   20.833   14.688   20.873   22.987   20.806   19.095   44.399   16.092   42.579   14.739 1.819866 21.82191 
1 1 1    1   24    4 o  162.490   9.9824  333.105   40.309  462.391   68.884  265.778   49.709  190.543   14.588  144.304   13.969 46.23923 20.19758 
1 1 1    1   24    5 o  255.161   11.988  820.365   76.387  1102.78  132.318  679.201   93.550  293.603   18.136  230.728   16.342 62.87468 24.41270 
1 1 1    1   24    6 o  414.127   20.234  2194.38  209.253  2388.63  295.503  1999.01  296.356  426.681   27.887  388.112   30.832 38.56998 41.57274 
1 1 1    1   24    7 o  288.887   12.539  1051.46   90.459  1128.65  156.631  1012.83  110.805  296.095   21.326  282.373   15.777 13.72223 26.52787 
1 1 1    1   24    8 o  158.648   9.7275  317.072   38.352  327.207   66.558  312.033   46.925  159.770   16.941  157.004   12.061 2.765518 20.79537 
1 1 1    1   24    9 o  246.095   11.764  761.745   72.296  725.167  125.705  779.825   88.374  237.214   21.453  248.163   14.321 -10.94894 25.79396 
1 1 1    1   24   10 o  264.316   10.624  877.383   70.121  990.521  101.570  774.357   96.924  279.757   14.589  246.965   15.799 32.79254 21.50490 
1 1 1    1   24   11 o  226.418   9.5547  643.041   54.023  767.782   79.420  535.616   73.701  246.605   12.942  205.547   14.451 41.05846 19.39868 
1 1 1    1   24   12 f  252.089   14.963  805.001   93.772  792.676  139.045  815.283  126.999  247.852   22.718  252.189   20.339 -4.336761 30.49261 
1 1 1    1   24   13 o  185.196   8.3641  429.711   38.682  552.718   58.328  333.141   51.681  209.461   11.192  162.189   12.866 47.27191 17.05246 
1 1 1    1   24   14 o   87.604   8.7803   97.138   18.950  139.803   32.628   75.422   23.278  104.644   12.750   76.435   12.637 28.20914 17.95124 
1 1 1    1   24   15 o  127.569   8.6442  204.868   27.375  209.483   42.278  201.536   35.921  128.284   13.395  126.119   11.533 2.165390 17.67619 
1 1 1    1   24   16 o  107.719   8.3188  146.238   22.204  180.815   35.774  124.571   28.318  119.293   12.180   98.873   11.696 20.41951 16.88614 
1 1 1    1   24   17 o  275.433   15.348  961.373  105.146  1057.01  148.545  865.345  148.852  287.106   20.861  258.776   23.284 28.33008 31.26237 
1 1 1    1   24   18 o  165.963   9.1088  346.410   37.606  354.456   54.824  339.259   51.682  167.226   13.237  163.670   12.746 3.555954 18.37542 
1 1 1    1   24   19 o  117.812   8.0113  174.684   23.429  229.753   35.590  132.570   31.124  134.833   10.657  101.878   12.496 32.95452 16.42319 
1 1 1    1   24   20 o   92.969   8.3130  109.178   19.096  160.303   29.569   72.598   25.011  112.468   10.655   74.691   13.922 37.77721 17.53158 
1 1 1    1   24   21 o  407.982   14.296  2101.90  145.651  2134.81  206.309  2069.20  205.656  408.877   20.206  401.903   20.560 6.973846 28.82694 
1 1 1    1   24   22 f  126.119   8.4051  200.276   26.320  195.241   38.078  204.881   36.421  123.889   12.478  127.094   11.603 -3.205132 17.03935 
1 1 1    1   24   23 o  263.057   15.660  879.298  102.403  762.635  147.032  989.197  142.705  241.768   24.700  277.296   20.759 -35.52835 32.26525 
1 1 1    1   24   24 o  169.506   12.750  364.177   53.574  364.177   53.574   0.0000   0.0000  169.506   12.750  ?   ?  0.000000 12.75014 
1 1 1    1   24   25 o   56.902   10.155   41.884   13.901   56.885   20.306   28.656   19.069   66.082   12.767   47.595   14.628 18.48688 19.41600 
1 1 1    1   24   26 f  279.653   11.100  983.771   77.513  1065.85  109.160  900.295  110.087  289.785   15.137  265.796   16.670 23.98868 22.51732 
1 1 1    1   24   27 o  234.924   10.213  693.492   59.915  732.486   83.959  653.028   85.528  240.363   14.049  226.607   15.202 13.75601 20.69976 
1 1 1    1   24   28 o  161.920   8.8384  329.903   35.602  358.310   49.231  298.758   51.548  168.279   11.790  153.227   13.614 15.05199 18.00917 
1 1 1    1   24   29 o  385.117   13.493  1872.81  129.761  2012.76  183.082  1731.54  183.942  397.317   18.453  367.288   20.132 30.02896 27.30904 
1 1 1    1   24   30 o  134.376   20.351  236.047   66.152   0.0000   0.0000  236.047   66.152  ?   ?   134.376   20.351 0.000000 20.35098 
1 1 1    1   24   31 o  151.887   19.417  299.304   71.960   0.0000   0.0000  299.304   71.960  ?   ?   151.887   19.417 0.000000 19.41676 
1 1 1    1   24   32 o  314.242   24.165  1285.80  188.174   0.0000   0.0000  1285.80  188.174  ?   ?   314.242   24.165 0.000000 24.16497 
1 1 1    1   24   33 o  169.061   10.193  360.585   42.833  326.947   73.420  377.940   52.737  158.933   18.867  172.697   12.309 -13.76396 22.52779 
1 1 1    1   24   34 o  286.768   12.690  1037.99   90.873  1098.89  157.107  1007.37  111.400  291.299   21.755  281.209   15.929 10.08948 26.96289 
1 1 1    1   24   35 o  115.296   9.4077  168.109   26.850  177.784   46.910  163.396   32.745  117.121   16.496  113.252   11.749 3.868645 20.25265 
1 1 1    1   24   36 o  125.741   8.9753  199.611   27.997  210.742   50.167  194.576   33.740  127.722   16.086  123.787   11.031 3.935555 19.50461 
1 1 1    1   24   37 o  339.023   13.860  1458.04  117.335  1464.83  204.521  1454.71  143.256  333.347   24.746  336.861   17.086 -3.514526 30.07120 
1 1 1    1   24   38 o  157.137   11.323  313.560   44.134   0.0000   0.0000  313.560   44.134  ?   ?   157.137   11.323 0.000000 11.32304 
1 1 1    1   24   39 o  143.980   16.371  269.320   57.816   0.0000   0.0000  269.320   57.816  ?   ?   143.980   16.371 0.000000 16.37139 
1 1 1    1   24   40 o   93.051   15.455  113.934   34.653   0.0000   0.0000  113.934   34.653  ?   ?    93.051   15.455 0.000000 15.45534 
1 1 1    1   24   41 o  190.242   18.053  475.951   84.735   0.0000   0.0000  475.951   84.735  ?   ?   190.242   18.053 0.000000 18.05256 
1 1 1    1   24   42 o  227.486   11.065  658.691   62.857  539.619   96.577  746.201   82.794  201.164   19.469  240.475   13.846 -39.31082 23.89015 
1 1 1    1   24   43 o   62.328   10.909   50.884   16.361   49.415   50.221   51.058   17.305   64.390   23.718   62.281   11.552 2.109306 26.38140 
1 1 1    1   24   44 o  101.833   10.121  133.276   25.396   0.0000   0.0000  133.276   25.396  ?   ?   101.833   10.121 0.000000 10.12093 
1 1 1    1   25    0 o  180.444   10.945  412.620   49.087  576.159   82.830  324.093   60.942  211.781   15.775  158.581   15.591 53.19933 22.17948 
1 1 1    1   25    1 o  298.015   12.824  1125.52   95.435  1105.77  163.316  1135.76  117.603  290.083   22.727  297.811   15.871 -7.727478 27.71996 
1 1 1    1   25    2 o   79.485   11.403   81.348   21.986  128.764   35.299   51.294   28.103   99.629   14.624   62.352   17.392 37.27630 22.72287 
1 1 1    1   25    3 o  120.340   16.888  188.453   49.354   0.0000   0.0000  188.453   49.354  ?   ?   120.340   16.888 0.000000 16.88842 
1 1 1    1   25    4 o  457.636   17.664  2680.31  201.863  3082.77  349.731  2479.25  247.197  479.917   29.323  436.109   22.778 43.80743 37.13017 
1 1 1    1   25    5 o  484.325   18.544  3005.99  224.283  3399.07  388.841  2810.02  274.557  502.680   31.130  463.927   23.779 38.75256 39.17259 
1 1 1    1   25    6 o  114.023   9.9233  164.714   27.974  240.607   48.232  126.246   34.339  137.084   14.300   98.834   14.331 38.24978 20.24543 
1 1 1    1   25    7 o  465.345   17.816  2764.08  207.030  3122.86  359.147  2585.53  253.361  484.442   29.833  446.453   22.802 37.98904 37.54891 
1 1 1    1   25    8 o  141.628   12.587  255.057   44.052  296.063   61.488  211.812   63.144  151.754   16.491  126.946   20.627 24.80856 26.40864 
1 1 1    1   25    9 o  107.025   10.028  145.195   26.489  218.170   47.959  113.161   31.776  130.412   15.000   93.608   14.025 36.80404 20.53558 
1 1 1    1   25   10 o  131.663   9.9986  219.047   32.629  223.836   58.372  216.870   39.350  131.329   18.296  130.624   12.205 0.7046661 21.99310 
1 1 1    1   25   11 o  183.642   9.2412  424.350   42.244  516.943   63.592  351.217   56.515  202.092   12.665  166.204   13.740 35.88812 18.68654 
1 1 1    1   25   12 o  245.824   9.9721  759.057   61.216  854.927   89.456  674.624   83.950  259.813   13.838  230.503   14.661 29.31004 20.15987 
1 1 1    1   25   13 o  253.197   15.805  815.387   99.432  714.481  146.795  900.930  135.160  233.464   25.599  264.542   20.623 -31.07794 32.87254 
1 1 1    1   25   14 o  234.502   9.4875  690.271   55.558  828.182   81.636  571.287   75.827  256.314   12.754  212.134   14.399 44.17967 19.23582 
1 1 1    1   25   15 o  182.038   9.0447  415.754   41.115  428.811   61.259  405.050   55.464  183.868   13.435  178.866   12.496 5.002563 18.34777 
1 1 1    1   25   16 o  169.309   8.4343  359.418   35.660  446.135   53.784  291.394   47.635  187.947   11.515  151.528   12.706 36.41847 17.14758 
1 1 1    1   25   17 o  105.419   9.1952  140.499   23.964  129.162   37.843  148.088   30.963   99.827   15.699  107.853   11.683 -8.025642 19.56911 
1 1 1    1   25   18 o  216.223   9.8937  587.168   53.421  598.884   77.464  576.543   73.769  217.213   14.362  213.210   13.932 4.003723 20.00923 
1 1 1    1   25   19 o  146.425   13.113  272.578   47.441  310.260   65.227  230.256   69.127  155.381   17.093  132.357   21.664 23.02350 27.59558 
1 1 1    1   25   20 o  377.486   13.187  1798.13  124.305  1919.29  176.550  1679.02  175.048  388.144   18.215  362.059   19.432 26.08551 26.63421 
1 1 1    1   25   21 o  200.348   9.6231  504.050   48.145  530.741   68.690  478.277   67.500  204.587   13.521  194.053   14.024 10.53351 19.48068 
1 1 1    1   25   22 o  149.369   9.0915  281.030   33.750  248.156   48.456  312.005   47.036  139.428   14.111  156.909   12.097 -17.48065 18.58693 
1 1 1    1   25   23 o  166.409   8.8408  348.427   36.607  315.636   52.313  379.891   51.243  157.552   13.424  173.258   11.916 -15.70593 17.95028 
1 1 1    1   25   24 o  319.172   13.246  1286.10  105.573  1325.33  130.243  1210.94  180.274  323.142   16.140  305.140   23.848 18.00192 28.79623 
1 1 1    1   25   25 o  293.501   17.046  1099.00  124.397  823.810  177.171  1366.58  174.703  248.836   29.059  325.355   21.626 -76.51935 36.22325 
1 1 1    1   25   26 o  285.998   11.098  1029.36   79.264  1075.62  111.340  981.834  112.868  290.916   15.381  277.586   16.355 13.32935 22.45099 
1 1 1    1   25   27 o   93.926   9.8946  112.052   22.859   95.270   31.720  130.182   32.970   85.440   15.435  100.664   13.452 -15.22404 20.47460 
1 1 1    1   25   28 o  274.824   11.679  951.365   80.148  994.286  112.736  907.500  113.968  279.372   16.229  266.527   17.215 12.84537 23.65934 
1 1 1    1   25   29 o  294.472   12.078  1092.96   88.814  1145.96  124.962  1038.86  126.251  299.788   16.759  284.999   17.829 14.78894 24.46940 
1 1 1    1   25   30 o  182.805   8.5000  419.221   38.802  477.199   53.658  355.670   56.178  194.405   11.099  167.242   13.568 27.16307 17.52973 
1 1 1    1   25   31 o  273.352   12.391  942.460   84.583  972.030  145.190  927.269  104.066  274.138   21.378  269.949   15.502 4.188477 26.40713 
1 1 1    1   25   32 o  145.087   20.163  274.733   71.077   0.0000   0.0000  274.733   71.077  ?   ?   145.087   20.163 0.000000 20.16269 
1 1 1    1   25   33 o  146.262   19.582  278.620   69.727   0.0000   0.0000  278.620   69.727  ?   ?   146.262   19.582 0.000000 19.58204 
1 1 1    1   25   34 f   83.767   10.820   89.777   22.105   58.389   37.249  106.840   27.464   67.118   20.410   91.197   12.379 -24.07883 23.87062 
1 1 1    1   25   35 o  131.913   9.6572  219.952   31.591  240.912   54.565  209.384   38.745  136.622   16.316  128.205   12.251 8.417496 20.40376 
1 1 1    1   25   36 o  109.089   9.4842  150.787   25.579  145.459   44.771  153.369   31.167  105.278   17.655  109.644   11.557 -4.366264 21.10113 
1 1 1    1   25   37 f  222.267   10.747  623.296   59.653  671.731  103.945  599.509   72.842  227.789   18.431  216.936   13.513 10.85393 22.85444 
1 1 1    1   25   38 o  113.048   9.1904  161.981   25.720  148.799   46.523  167.784   30.866  106.029   18.228  114.728   10.905 -8.698380 21.24064 
1 1 1    1   25   39 o   70.073   10.189   63.291   17.308   57.941   34.862   65.041   19.938   66.080   19.667   70.725   11.698 -4.644463 22.88340 
1 1 1    1   25   40 o  155.572   9.2881  306.672   35.919  296.713   65.659  310.925   42.909  150.116   17.866  156.176   11.074 -6.059891 21.01976 
1 1 1    1   25   41 o  207.412   11.803  549.993   60.882   0.0000   0.0000  549.993   60.882  ?   ?   207.412   11.803 0.000000 11.80335 
1 1 1    1   25   42 o  165.968   16.096  361.849   65.870  182.605  113.270  453.439   80.969  108.489   35.910  184.997   17.744 -76.50835 40.05444 
1 1 1    1   25   43 o  114.639   15.793  174.451   44.011   0.0000   0.0000  174.451   44.011  ?   ?   114.639   15.793 0.000000 15.79274 
1 1 1    1   26    0 o  173.776   10.218  382.462   44.146  372.067   73.066  388.438   55.402  169.085   17.561  174.437   12.808 -5.352463 21.73530 
1 1 1    1   26    1 o  226.487   11.703  651.027   65.966  763.387  112.389  591.976   81.477  242.355   18.715  214.706   15.296 27.64862 24.17114 
1 1 1    1   26    2 o  289.123   12.986  1060.92   93.756  1113.46  160.842  1033.88  115.386  290.905   22.311  283.637   16.360 7.267853 27.66660 
1 1 1    1   26    3 o  266.058   12.149  896.119   80.717  917.325  138.405  885.190   99.365  264.821   21.104  263.008   15.194 1.813202 26.00463 
1 1 1    1   26    4 o  299.475   23.274  1180.77  172.686   0.0000   0.0000  1180.77  172.686  ?   ?   299.475   23.274 0.000000 23.27403 
1 1 1    1   26    5 o  268.059   11.829  908.179   79.185  1442.19  138.838  650.722   96.402  335.856   16.554  224.747   17.310 111.1082 23.95139 
1 1 1    1   26    6 o  370.704   14.885  1747.98  137.790  1767.13  238.341  1738.37  168.870  364.871   26.335  367.911   18.381 -3.039520 32.11526 
1 1 1    1   26    7 o  629.579   23.527  5173.07  369.885  5772.07  641.706  4875.04  452.645  637.681   40.508  602.969   30.062 34.71198 50.44404 
1 1 1    1   26    8 o  170.835   9.4267  368.054   40.060  714.633   72.142  213.551   48.168  237.540   12.203  128.743   15.281 108.7969 19.55561 
1 1 1    1   26    9 o  278.524   15.545  989.459  107.689  1049.60  152.066  928.956  152.527  284.162   21.591  266.455   23.153 17.70682 31.65826 
1 1 1    1   26   10 o  123.224   10.011  192.236   30.538  232.180   55.319  174.729   36.624  133.951   16.915  116.922   12.750 17.02962 21.18198 
1 1 1    1   26   11 o   85.206   10.554   92.743   21.975   95.225   41.710   91.790   25.855   84.467   20.071   84.348   12.666 0.1194916 23.73314 
1 1 1    1   26   12 o  297.164   11.287  1112.60   83.757  1172.66  121.205  1057.71  115.876  303.283   16.061  287.948   16.180 15.33459 22.79831 
1 1 1    1   26   13 o  404.246   13.516  2066.50  136.445  2297.52  195.260  1846.04  190.743  423.940   18.444  378.619   20.248 45.32108 27.38890 
1 1 1    1   26   14 o  224.955   10.401  636.568   58.427  662.194   85.733  614.346   79.837  228.016   15.143  219.732   14.634 8.283554 21.05833 
1 1 1    1   26   15 o  156.373   13.013  310.901   50.353  337.357   85.218  296.710   62.413  160.456   21.835  151.840   16.738 8.615646 27.51272 
1 1 1    1   26   16 o  143.656   9.0715  260.127   32.375  284.906   49.850  242.051   42.577  149.549   13.494  137.956   12.495 11.59253 18.39015 
1 1 1    1   26   17 o  142.958   8.9695  257.555   31.858  274.764   48.662  244.647   42.145  146.863   13.417  138.743   12.292 8.119720 18.19605 
1 1 1    1   26   18 o  149.919   9.1840  283.269   34.217  288.104   51.369  279.412   45.876  150.322   13.840  148.303   12.504 2.019760 18.65203 
1 1 1    1   26   19 o  177.465   9.7303  396.906   42.957  422.096   63.203  375.279   58.561  182.147   14.002  171.742   13.771 10.40514 19.63916 
1 1 1    1   26   20 o  145.423   13.395  269.417   48.098  290.525   65.280  244.350   71.137  149.971   17.777  136.246   21.631 13.72452 27.99900 
1 1 1    1   26   21 o  220.089   10.092  608.962   55.463  592.693   79.505  624.386   77.411  215.788   14.845  221.723   14.054 -5.935562 20.44178 
1 1 1    1   26   22 o  214.743   11.365  582.389   60.731  682.917  105.548  532.637   74.254  230.533   18.490  204.566   14.632 25.96660 23.57932 
1 1 1    1   26   23 o  209.428   14.224  557.577   73.949  557.577   73.949   0.0000   0.0000  209.428   14.224  ?   ?  0.000000 14.22421 
1 1 1    1   26   24 o  211.641   9.2651  562.522   48.966  563.904   69.585  561.166   68.917  210.856   13.283  210.365   13.186 0.4911957 18.71663 
1 1 1    1   26   25 o  288.770   11.308  1050.22   81.544  978.723  115.057  1122.37  115.586  276.882   16.719  296.969   15.642 -20.08609 22.89501 
1 1 1    1   26   26 o   34.386   11.828   13.563   12.288   40.025   37.597   10.399   13.002   58.956   20.666   32.558   12.054 26.39804 23.92440 
1 1 1    1   26   27 o  156.600   11.438  310.517   44.420  374.708   68.641  264.266   58.265  170.974   16.273  143.247   16.596 27.72746 23.24301 
1 1 1    1   26   28 o  150.832   8.3490  286.263   31.324  326.820   43.636  243.144   44.994  160.773   10.934  138.123   13.206 22.64914 17.14462 
1 1 1    1   26   29 o   94.690   8.4467  113.377   19.763  134.504   27.677   91.398   28.230  102.803   10.950   83.924   13.960 18.87853 17.74233 
1 1 1    1   26   30 o  213.784   8.5386  573.523   45.584  619.482   63.230  523.787   65.776  221.450   11.473  203.227   13.030 18.22282 17.36109 
1 1 1    1   26   31 o  223.572   9.7382  628.253   54.368  644.965   75.771  610.516   78.057  225.448   13.521  219.101   14.346 6.347137 19.71346 
1 1 1    1   26   32 f  142.519   11.485  257.612   40.529  217.453   69.077  278.692   50.048  128.006   22.427  147.801   13.716 -19.79430 26.28922 
1 1 1    1   26   33 o  176.656   20.460  406.466   88.587   0.0000   0.0000  406.466   88.587  ?   ?   176.656   20.460 0.000000 20.45986 
1 1 1    1   26   34 o   78.169   22.933   81.016   47.684   0.0000   0.0000   81.016   47.684  ?   ?    78.169   22.933 0.000000 22.93330 
1 1 1    1   26   35 o  201.721   10.401  513.919   52.213  572.576   90.473  484.626   63.935  210.892   17.333  195.190   13.194 15.70132 21.78333 
1 1 1    1   26   36 o  168.060   10.002  357.047   41.787  344.078   72.602  363.472   51.100  162.689   18.182  169.074   12.185 -6.385025 21.88697 
1 1 1    1   26   37 o  138.399   9.6143  242.503   33.022  216.162   57.906  255.197   40.198  128.174   18.638  141.589   11.468 -13.41432 21.88298 
1 1 1    1   26   38 o   40.721   11.121   21.665   11.628   18.139   23.465   22.813   13.387   43.012   16.140   41.938   12.108 1.073971 20.17652 
1 1 1    1   26   39 o  192.196   9.8309  468.047   47.025  506.198   82.505  449.690   57.231  197.154   16.922  187.612   12.284 9.541718 20.91036 
1 1 1    1   26   40 o  211.080   9.9593  564.224   52.496  640.665   92.024  527.348   63.916  221.545   16.758  202.816   12.684 18.72830 21.01646 
1 1 1    1   26   41 o  153.784   8.3357  299.456   31.892  369.344   57.483  268.379   38.332  168.915   13.747  144.908   10.668 24.00630 17.40068 
1 1 1    1   26   42 o  166.661   8.7769  352.566   36.399  310.142   56.742  382.231   47.448  153.890   14.954  172.737   11.058 -18.84718 18.59842 
1 1 1    1   26   43 o   82.458   8.8055   87.128   17.851   0.0000   0.0000   87.128   17.851  ?   ?    82.458   8.8055 0.000000 8.805535 
1 1 1    1   27    0 f  297.117   13.226  1124.38   98.130  1330.83  168.410  1018.25  120.746  317.659   21.354  280.296   17.336 37.36279 27.50527 
1 1 1    1   27    1 o  181.913   14.260  424.926   64.259  524.818   87.270  306.633   94.968  200.911   17.571  149.271   26.445 51.64038 31.75059 
1 1 1    1   27    2 f  436.473   16.991  2452.55  185.191  2385.05  319.225  2486.80  227.360  415.301   31.005  436.176   20.874 -20.87509 37.37648 
1 1 1    1   27    3 o  180.909   10.823  415.048   48.669  570.250   83.131  334.110   60.033  210.386   15.942  161.022   15.107 49.36436 21.96241 
1 1 1    1   27    4 o  134.928   10.450  231.140   34.935  331.549   59.274  177.698   43.244  160.506   14.961  117.049   15.150 43.45763 21.29231 
1 1 1    1   27    5 o  122.362   10.011  189.992   30.323  302.224   52.230  132.933   37.242  153.587   13.764  100.995   15.241 52.59131 20.53610 
1 1 1    1   27    6 o  121.595   16.942  192.923   50.047   0.0000   0.0000  192.923   50.047  ?   ?   121.595   16.942 0.000000 16.94237 
1 1 1    1   27    7 o  399.386   15.945  2038.02  159.023  2243.52  275.941  1935.83  194.585  409.583   27.133  386.092   20.253 23.49103 33.85786 
1 1 1    1   27    8 o  107.389   10.103  146.546   26.774  211.452   47.906  117.061   32.288  127.959   15.295   95.033   14.027 32.92595 20.75354 
1 1 1    1   27    9 o  315.433   13.481  1261.85  106.186  1501.09  185.206  1144.70  129.602  339.088   21.991  298.402   17.469 40.68622 28.08461 
1 1 1    1   27   10 o  132.841   9.7241  223.250   32.033  355.724   58.504  166.529   38.282  166.811   14.179  113.799   13.750 53.01286 19.75110 
1 1 1    1   27   11 o  157.363   12.872  315.404   50.140  370.069   71.189  261.593   70.630  169.348   17.066  140.954   20.681 28.39296 26.81365 
1 1 1    1   27   12 o  230.469   11.203  669.905   64.478  734.536  113.502  639.110   78.348  238.317   19.236  224.043   14.075 14.27400 23.83555 
1 1 1    1   27   13 o  127.349   8.8895  204.729   28.092  290.419   46.468  155.372   35.267  151.101   12.425  110.067   13.087 41.03457 18.04628 
1 1 1    1   27   14 o  281.779   10.675  1000.15   75.112  1160.05  109.675  858.890  103.082  302.342   14.526  259.246   16.001 43.09601 21.61124 
1 1 1    1   27   15 o  298.543   11.705  1124.51   87.264  1084.90  125.875  1161.16  121.084  290.933   17.406  301.559   16.138 -10.62604 23.73582 
1 1 1    1   27   16 o  220.434   14.165  618.324   77.563  645.350  120.612  599.266  101.285  222.345   22.012  215.381   19.027 6.964188 29.09555 
1 1 1    1   27   17 o  247.312   10.273  769.708   63.445  814.901   92.402  729.398   87.267  253.031   14.687  239.349   14.671 13.68208 20.75932 
1 1 1    1   27   18 o  209.230   9.6869  550.407   50.613  591.021   74.586  515.745   68.906  215.589   13.929  201.372   13.786 14.21742 19.59719 
1 1 1    1   27   19 o  238.302   10.538  714.857   62.713  718.797   90.674  711.244   86.829  237.403   15.378  236.333   14.787 1.069748 21.33363 
1 1 1    1   27   20 o   85.841   10.239   93.996   21.515   92.380   35.653   94.921   26.981   83.567   17.639   85.727   13.012 -2.160240 21.91912 
1 1 1    1   27   21 o  217.383   14.569  601.719   78.632   0.0000   0.0000  601.719   78.632  ?   ?   217.383   14.569 0.000000 14.56942 
1 1 1    1   27   22 o  193.122   19.138  482.332   91.081  482.332   91.081   0.0000   0.0000  193.122   19.138  ?   ?  0.000000 19.13828 
1 1 1    1   27   23 o  223.865   9.9817  630.257   55.801  760.499   80.110  507.513   77.770  244.927   13.146  199.236   15.760 45.69131 20.52287 
1 1 1    1   27   24 o   65.736   10.212   55.617   16.219   70.416   27.771   47.956   19.981   73.102   15.683   60.406   13.577 12.69666 20.74297 
1 1 1    1   27   25 f  211.057   9.9239  560.128   52.304  554.998   74.265  565.177   73.675  208.824   14.328  210.808   14.076 -1.983643 20.08573 
1 1 1    1   27   26 o  123.469   8.7774  192.344   26.887  192.688   39.016  192.033   37.103  122.844   12.912  122.764   12.267 0.7929993E-01 17.80998 
1 1 1    1   27   27 f  114.504   8.1657  165.309   23.196  180.066   33.959  152.402   31.759  118.973   11.577  109.315   11.822 9.658142 16.54665 
1 1 1    1   27   28 f  226.925   16.410  658.608   92.363  390.088  133.681  903.880  127.763  167.901   33.060  264.820   19.456 -96.91911 38.36025 
1 1 1    1   27   29 o  230.962   11.380  672.292   65.633  672.154   81.667  672.543  110.293  229.899   14.296  228.183   19.544 1.715958 24.21494 
1 1 1    1   27   30 o  620.043   20.426  4947.29  316.271  5298.78  447.245  4595.71  447.304  633.112   28.289  586.151   30.666 46.96033 41.72106 
1 1 1    1   27   31 o  114.925   9.9780  167.360   28.352  166.169   39.219  168.663   41.033  113.688   14.118  114.413   14.702 -0.7253952 20.38320 
1 1 1    1   27   32 f   92.396   9.6604  108.497   21.960  128.240   30.280   86.591   31.895  100.024   12.387   81.073   16.319 18.95118 20.48811 
1 1 1    1   27   33 o  100.744   11.587  129.709   28.620   48.375   51.427  166.200   34.447   66.114   24.054  114.053   12.289 -47.93944 27.01095 
1 1 1    1   27   34 f  124.157   22.675  206.270   67.713   0.0000   0.0000  206.270   67.713  ?   ?   124.157   22.675 0.000000 22.67543 
1 1 1    1   27   35 o  109.642   22.047  161.691   58.272   0.0000   0.0000  161.691   58.272  ?   ?   109.642   22.047 0.000000 22.04714 
1 1 1    1   27   36 o  143.782   10.101  262.003   36.038  251.923   64.034  266.676   43.598  138.411   19.030  144.582   12.189 -6.171387 22.59867 
1 1 1    1   27   37 o  132.508   9.6445  222.638   31.694  200.911   56.711  232.507   38.220  123.115   19.062  135.016   11.444 -11.90032 22.23347 
1 1 1    1   27   38 o   53.056   10.619   36.867   13.578   38.666   28.257   36.328   15.483   55.197   17.919   52.447   12.072 2.750477 21.60658 
1 1 1    1   27   39 f  156.689   9.5147  311.527   37.053  310.250   65.861  312.119   44.818  153.516   17.492  156.244   11.569 -2.728165 20.97213 
1 1 1    1   27   40 o   96.629   8.4680  118.769   20.227   39.430   59.661  129.073   21.501   64.187   25.296  100.728   8.6311 -36.54076 26.72783 
1 1 1    1   27   41 o  214.383   9.5927  583.157   51.355  719.230   90.413  518.346   62.398  234.633   15.518  200.644   12.516 33.98967 19.93666 
1 1 1    1   27   42 o   86.549   15.537  100.453   32.346   0.0000   0.0000  100.453   32.346  ?   ?    86.549   15.537 0.000000 15.53686 
1 1 1    1   28    0 o  240.456   11.960  735.016   71.814  789.930  121.700  705.679   88.953  244.641   20.099  233.825   15.319 10.81618 25.27095 
1 1 1    1   28    1 o  125.984   10.745  202.361   33.481  233.040   55.204  184.509   42.111  133.344   16.963  119.256   14.434 14.08805 22.27285 
1 1 1    1   28    2 o  185.847   13.759  443.092   63.402  443.101   85.285  443.082   94.793  183.739   18.855  182.597   21.183 1.142151 28.35840 
1 1 1    1   28    3 o  225.640   11.554  646.960   64.883  703.455  111.185  617.786   79.899  231.750   19.390  219.313   14.674 12.43655 24.31666 
1 1 1    1   28    4 o  305.921   13.254  1191.19  101.251  1127.01  174.196  1223.93  124.429  290.347   24.247  308.253   16.222 -17.90656 29.17314 
1 1 1    1   28    5 o  224.247   11.517  638.399   64.275  765.593  111.069  574.355   78.813  242.598   18.473  211.439   15.024 31.15852 23.81126 
1 1 1    1   28    6 o  265.160   12.161  891.395   80.524  939.345  139.372  867.369   98.656  267.481   21.035  260.019   15.261 7.462677 25.98810 
1 1 1    1   28    7 o  257.760   14.508  849.721   93.004  926.933  133.420  776.740  129.712  266.349   20.210  242.924   21.608 23.42439 29.58654 
1 1 1    1   28    8 o  229.074   19.918  685.221  112.806   0.0000   0.0000  685.221  112.806  ?   ?   229.074   19.918 0.000000 19.91815 
1 1 1    1   28    9 o  225.102   11.535  642.336   64.625  765.331  113.585  583.464   78.583  242.815   18.881  213.452   14.835 29.36273 24.01174 
1 1 1    1   28   10 o  218.898   11.354  607.037   61.851  678.012  108.771  573.121   75.190  228.387   19.251  211.780   14.301 16.60698 23.98208 
1 1 1    1   28   11 o   56.481   13.176   42.049   18.243   89.562   38.413   28.212   20.730   81.774   19.148   47.601   15.338 34.17243 24.53361 
1 1 1    1   28   12 o  264.604   14.933  894.219   98.272  1062.60  139.743  729.476  138.224  286.229   19.670  234.781   23.910 51.44809 30.96099 
1 1 1    1   28   13 o  204.074   10.536  526.384   53.509  614.893   95.278  485.608   64.670  218.324   17.626  195.267   13.342 23.05757 22.10668 
1 1 1    1   28   14 o  306.169   11.006  1182.56   84.145  1379.24  123.358  1011.42  115.071  329.202   15.006  280.917   16.476 48.28452 22.28489 
1 1 1    1   28   15 o  533.622   17.505  3647.11  233.262  3685.79  331.803  3609.32  327.996  529.465   25.095  523.973   25.067 5.492371 35.47032 
1 1 1    1   28   16 o  281.554   10.806  999.376   75.976  1127.20  111.167  887.339  104.075  297.335   15.021  263.389   15.898 33.94666 21.87145 
1 1 1    1   28   17 o  158.207   9.4567  315.901   37.190  349.995   57.917  291.980   48.513  165.500   14.150  151.353   12.961 14.14778 19.18835 
1 1 1    1   28   18 o  329.186   16.769  1387.08  137.393  1503.00  202.680  1288.52  186.886  338.335   24.148  313.196   24.080 25.13861 34.10188 
1 1 1    1   28   19 o  333.149   12.048  1401.88  100.235  1482.64  143.976  1325.92  139.632  340.714   16.922  321.539   17.455 19.17508 24.31141 
1 1 1    1   28   20 o  107.358   11.774  147.172   31.048  126.622   77.022  151.159   33.926   96.711   29.335  108.617   12.751 -11.90528 31.98651 
1 1 1    1   28   21 o  104.480   10.916  139.023   28.060  131.920   43.331  144.154   36.824  100.107   17.995  105.687   14.322 -5.579666 22.99841 
1 1 1    1   28   22 o  296.113   11.192  1105.48   82.758  1233.49  118.843  984.962  115.312  311.492   15.278  277.390   16.725 34.10199 22.65302 
1 1 1    1   28   23 o  247.549   15.594  782.406   95.906  893.826  132.265  658.875  139.269  262.690   20.321  222.975   25.469 39.71490 32.58225 
1 1 1    1   28   24 o  146.716   10.497  272.386   38.203  281.268   64.965  267.690   47.233  147.249   18.045  144.882   13.200 2.366333 22.35790 
1 1 1    1   28   25 o  194.488   10.516  477.628   50.884  474.702   72.940  480.402   71.021  192.701   15.283  194.007   14.770 -1.306671 21.25413 
1 1 1    1   28   26 o  260.400   10.782  854.153   70.110  846.574   99.285  861.691   99.016  257.597   15.507  259.959   15.321 -2.362366 21.79861 
1 1 1    1   28   27 o   87.960   10.569   98.789   22.751   72.634   34.480  118.956   30.277   73.885   18.678   96.166   12.936 -22.28069 22.72005 
1 1 1    1   28   28 o  259.221   10.459  846.054   67.703  824.270   95.026  868.510   96.482  254.316   15.030  261.134   14.857 -6.817444 21.13355 
1 1 1    1   28   29 o  108.625   13.891  151.843   36.816   16.471   70.721  202.170   43.120   63.819   26.637  125.556   13.991 -61.73627 30.08763 
1 1 1    1   28   30 o  273.502   18.232  962.294  123.809  619.375  179.288  1274.89  171.177  210.562   35.350  312.926   22.046 -102.3643 41.66144 
1 1 1    1   28   31 o  131.096   9.3673  217.178   30.464  244.785   42.756  188.710   43.417  138.610   12.486  121.060   14.661 17.55045 19.25740 
1 1 1    1   28   32 o   73.325   9.7790   68.832   17.460   82.345   25.329   56.598   24.100   79.622   13.201   65.442   15.060 14.17934 20.02694 
1 1 1    1   28   33 o  305.587   12.495  1181.94   95.351  1232.57  134.211  1130.33  135.490  309.647   17.428  295.988   18.422 13.65891 25.35950 
1 1 1    1   28   34 o  141.657   12.657  256.236   44.301  224.964   78.966  270.599   53.516  128.432   25.521  144.970   15.000 -16.53749 29.60239 
1 1 1    1   28   35 o  187.708   21.398  465.500   98.507   0.0000   0.0000  465.500   98.507  ?   ?   187.708   21.398 0.000000 21.39759 
1 1 1    1   28   36 o  132.891   14.246  227.932   46.539  311.930   64.769  138.273   66.916  154.699   17.049   99.574   26.460 55.12534 31.47681 
1 1 1    1   28   37 o  182.375   10.272  422.052   46.589  471.855   84.258  400.120   55.914  189.847   17.987  176.792   12.751 13.05499 22.04824 
1 1 1    1   28   38 o  129.432   10.549  213.755   33.800  204.487   62.945  217.510   40.066  122.695   21.317  130.019   12.494 -7.324760 24.70901 
1 1 1    1   28   39 o  136.915   9.7719  238.686   33.191  207.620   61.385  251.521   39.456  123.587   20.616  140.092   11.377 -16.50462 23.54716 
1 1 1    1   28   40 o   54.077   13.155   39.060   17.594   24.966   32.965   44.674   20.805   49.927   19.039   57.676   14.470 -7.748867 23.91351 
1 1 1    1   29    0 o  347.296   18.348  1582.01  158.562   0.0000   0.0000  1582.01  158.562  ?   ?   347.296   18.348 0.000000 18.34816 
1 1 1    1   29    1 o  116.657   11.192  174.315   32.204  236.123   53.267  138.709   40.429  134.269   16.215  102.417   16.358 31.85144 23.03294 
1 1 1    1   29    2 o  138.061   10.719  242.945   36.666  248.749   61.146  239.687   45.818  137.131   18.313  136.275   13.647 0.8563690 22.83925 
1 1 1    1   29    3 o  187.889   10.896  448.779   50.902  387.153   86.255  481.711   63.053  170.533   20.677  193.929   13.097 -23.39528 24.47607 
1 1 1    1   29    4 o  141.272   13.760  257.129   47.928  278.299   64.257  230.584   71.955  145.466   18.079  130.220   22.967 15.24585 29.22910 
1 1 1    1   29    5 o  239.133   11.839  725.724   70.695  743.935  121.929  716.502   86.768  237.396   20.777  236.117   14.790 1.278900 25.50346 
1 1 1    1   29    6 o  189.819   10.981  457.496   51.831  481.431   89.749  445.518   63.489  191.649   19.003  186.437   13.734 5.212357 23.44663 
1 1 1    1   29    7 o  340.678   14.100  1480.89  119.953  1646.43  208.746  1399.28  146.568  351.548   23.921  328.556   17.932 22.99203 29.89561 
1 1 1    1   29    8 f  108.253   10.794  149.557   28.791  142.996   52.255  152.417   34.499  102.922   21.042  108.785   12.954 -5.862694 24.70974 
1 1 1    1   29    9 o  173.750   17.966  393.344   76.825   0.0000   0.0000  393.344   76.825  ?   ?   173.750   17.966 0.000000 17.96580 
1 1 1    1   29   10 o  104.264   11.230  139.004   28.777  151.860   53.957  133.894   34.019  106.237   21.083  101.713   13.746 4.524033 25.16805 
1 1 1    1   29   11 o  117.615   10.378  175.886   30.168  235.516   56.646  152.275   35.644  134.353   17.285  108.687   13.418 25.66601 21.88130 
1 1 1    1   29   12 o  202.892   10.746  521.168   54.253  638.254   96.772  467.497   65.518  222.140   17.589  191.262   13.811 30.87819 22.36298 
1 1 1    1   29   13 o  146.813   9.7152  272.698   35.417  424.530   66.139  211.657   41.936  181.980   14.679  128.478   13.262 53.50142 19.78234 
1 1 1    1   29   14 o  440.599   21.465  2528.18  236.173  2651.92  334.404  2405.03  333.597  441.261   30.535  418.226   32.189 23.03516 44.36835 
1 1 1    1   29   15 o  288.715   11.822  1054.11   85.232  1054.95  125.122  1053.39  116.420  286.148   17.595  286.542   16.338 -0.3947449 24.01091 
1 1 1    1   29   16 o  123.209   9.8516  192.387   30.057  211.090   49.812  181.678   37.693  127.641   15.978  119.076   12.881 8.565201 20.52364 
1 1 1    1   29   17 o  251.219   11.049  796.530   69.315  806.213  102.276  788.304   94.267  250.623   16.433  248.270   15.279 2.353363 22.43858 
1 1 1    1   29   18 o  249.209   11.103  783.788   69.098  819.757  102.007  753.288   93.931  252.850   16.241  242.594   15.588 10.25554 22.51125 
1 1 1    1   29   19 o  243.934   11.682  751.694   71.163  689.359  104.435  805.724   97.230  231.021   18.251  250.961   15.592 -19.94011 24.00450 
1 1 1    1   29   20 o  301.162   16.367  1161.39  122.630  1259.86  187.800  1088.20  161.914  309.022   24.538  288.212   22.680 20.80911 33.41426 
1 1 1    1   29   21 f  294.961   12.897  1101.47   94.998  1156.78  119.438  1006.23  156.731  300.784   15.959  277.053   22.858 23.73108 27.87760 
1 1 1    1   29   22 o  116.911   10.865  173.773   31.357  174.076   49.029  173.562   40.790  115.394   17.569  116.069   14.381 -0.6748352 22.70438 
1 1 1    1   29   23 o  155.999   10.562  308.017   40.903  289.795   60.428  323.425   55.568  149.856   16.417  159.041   14.139 -9.185486 21.66597 
1 1 1    1   29   24 o  255.011   10.887  819.867   69.331  859.298  100.040  783.427   96.172  259.350   15.518  247.553   15.637 11.79712 22.03041 
1 1 1    1   29   25 o  186.248   15.086  443.898   69.560  558.297   92.908  297.979  104.930  207.975   18.069  147.101   29.590 60.87344 34.67056 
1 1 1    1   29   26 o  120.127   9.9984  182.877   29.721  172.569   45.224  190.714   39.432  115.292   16.151  122.053   13.145 -6.761169 20.82404 
1 1 1    1   29   27 o  121.936   8.9949  187.878   27.196  212.505   41.423  169.220   36.055  128.929   13.045  114.969   12.774 13.96017 18.25833 
1 1 1    1   29   28 o  159.083   9.9167  319.763   39.199  312.047   56.081  327.135   54.812  156.082   14.556  160.027   13.853 -3.945282 20.09450 
1 1 1    1   29   29 o   99.422   9.4865  125.455   23.267  158.318   35.214   99.992   30.997  111.110   12.933   87.575   14.694 23.53501 19.57530 
1 1 1    1   29   30 o   66.795   11.862   58.006   19.062   57.688   29.554   58.233   24.944   65.952   17.613   66.339   15.360 -0.3869400 23.36953 
1 1 1    1   29   31 o  123.528   13.689  195.923   41.515  161.627   76.811  210.077   49.344  108.058   28.175  127.390   15.854 -19.33186 32.32920 
1 1 1    1   29   32 o  111.743   10.646  158.922   29.347  150.177   41.445  167.717   41.563  107.332   15.948  113.803   14.990 -6.471298 21.88664 
1 1 1    1   29   33 o  167.888   10.113  356.722   42.201  352.308   59.292  361.254   60.079  165.685   14.476  167.789   14.480 -2.104431 20.47520 
1 1 1    1   29   34 o   79.787   10.007   81.547   19.500   86.267   28.075   77.147   27.105   81.099   14.390   76.513   14.721 4.585251 20.58565 
1 1 1    1   29   35 o  203.322   13.543  529.372   68.369  441.985  122.296  569.099   82.458  178.351   28.412  209.897   15.849 -31.54562 32.53355 
1 1 1    1   29   36 o   62.604   24.342   37.403   54.631   0.0000   0.0000   37.403   54.631  ?   ?    62.604   24.342 0.000000 24.34179 
1 1 1    1   29   37 o  219.249   12.695  615.806   69.207  605.381  123.995  620.523   83.408  210.748   23.988  218.817   15.362 -8.068893 28.48522 
1 1 1    1   29   38 o   94.021   11.745  114.387   26.974  117.215   60.198  113.676   30.173   90.842   25.495   93.263   13.335 -2.421013 28.77216 
1 1 1    1   29   39 o   45.278   11.482   27.180   13.002   9.4573   48.656   28.543   13.492   51.643   21.856   46.377   11.662 5.265900 24.77237 
1 1 1    1   29   40 o  142.386   16.435  269.165   57.365   0.0000   0.0000  269.165   57.365  ?   ?   142.386   16.435 0.000000 16.43540 
1 1 1    1   30    0 o  182.536   11.319  426.326   51.340  422.386   85.432  428.553   64.231  177.523   19.598  181.736   14.268 -4.213577 24.24183 
1 1 1    1   30    1 o  253.733   21.900  868.536  137.402   0.0000   0.0000  868.536  137.402  ?   ?   253.733   21.900 0.000000 21.89996 
1 1 1    1   30    2 o   88.379   12.793  101.780   27.413  130.293   46.132   86.216   34.083   97.924   19.550   79.867   17.567 18.05668 26.28294 
1 1 1    1   30    3 o  251.404   12.051  805.329   75.658  731.842  129.337  843.555   93.283  233.070   22.502  255.687   14.671 -22.61673 26.86216 
1 1 1    1   30    4 o  182.818   11.211  425.914   50.935  449.939   87.284  413.508   62.721  184.423   19.236  179.064   14.142 5.359177 23.87472 
1 1 1    1   30    5 o  141.284   14.057  257.948   48.935  265.505   65.783  248.584   73.224  141.407   19.119  135.274   22.464 6.132950 29.49916 
1 1 1    1   30    6 o  206.994   11.313  545.107   58.258  472.363  100.112  582.354   71.637  187.992   21.726  213.130   13.530 -25.13754 25.59413 
1 1 1    1   30    7 o  242.648   11.925  747.833   72.255  771.011  125.648  736.381   88.319  241.315   21.062  239.244   14.856 2.071030 25.77431 
1 1 1    1   30    8 o  142.184   10.619  257.130   37.430  329.341   67.320  224.818   45.032  158.820   17.252  132.025   13.866 26.79472 22.13336 
1 1 1    1   30    9 o  202.854   10.919  522.232   55.109  877.998   99.139  363.142   66.295  261.313   15.259  167.393   16.057 93.92003 22.15066 
1 1 1    1   30   10 o  240.567   12.268  736.488   73.453  684.518  128.678  761.607   89.461  226.577   23.064  243.621   14.775 -17.04469 27.39072 
1 1 1    1   30   11 o  185.826   18.345  450.683   84.017   0.0000   0.0000  450.683   84.017  ?   ?   185.826   18.345 0.000000 18.34500 
1 1 1    1   30   12 o  304.263   13.379  1177.78  101.653  1139.10  177.747  1196.58  123.918  292.002   24.605  304.898   16.335 -12.89624 29.53391 
1 1 1    1   30   13 o  223.150   11.120  629.698   61.968  748.206  110.626  575.509   74.806  239.891   18.613  212.044   14.210 27.84785 23.41665 
1 1 1    1   30   14 o  213.001   11.074  574.998   58.699  688.312  105.660  524.412   70.596  230.155   18.541  202.470   14.050 27.68552 23.26302 
1 1 1    1   30   15 o  443.615   16.952  2527.20  187.796  2905.86  327.600  2341.87  229.192  463.519   28.440  422.764   21.784 40.75479 35.82399 
1 1 1    1   30   16 o  246.162   14.973  775.748   91.603  878.104  129.596  673.550  129.496  259.421   20.163  225.346   23.351 34.07439 30.85176 
1 1 1    1   30   17 o  319.027   12.572  1290.01  100.160  1316.37  146.212  1266.71  137.485  319.074   18.429  313.431   17.637 5.643250 25.50857 
1 1 1    1   30   18 o  241.313   10.455  734.567   63.001  808.123   94.943  676.697   84.213  251.256   15.203  230.018   14.739 21.23820 21.17486 
1 1 1    1   30   19 o  256.868   12.675  836.121   81.305  879.685  142.799  815.225   98.900  258.690   22.324  252.163   15.786 6.527161 27.34119 
1 1 1    1   30   20 o  265.709   12.875  894.909   85.432  894.521  108.776  895.533  138.014  263.872   16.592  261.667   21.306 2.204559 27.00507 
1 1 1    1   30   21 o   87.525   15.878  100.660   33.426   11.978   90.187  114.782   35.989   69.353   29.568   93.584   15.973 -24.23083 33.60640 
1 1 1    1   30   22 o  121.128   10.315  186.244   30.904  207.093   49.351  172.793   39.639  126.412   15.991  115.832   13.987 10.57986 21.24508 
1 1 1    1   30   23 o  269.718   11.146  918.392   75.071  1002.21  109.407  843.816  103.199  279.833   15.720  256.505   16.194 23.32764 22.56950 
1 1 1    1   30   24 o  189.172   10.550  452.602   49.638  486.290   73.905  424.915   67.000  194.764   15.319  182.127   14.861 12.63708 21.34312 
1 1 1    1   30   25 o  384.648   14.451  1881.61  138.805  2003.85  197.864  1763.16  194.771  393.068   20.227  367.905   21.291 25.16248 29.36715 
1 1 1    1   30   26 o  171.271   15.038  376.303   63.665  423.883   82.316  305.473  100.435  180.663   18.507  149.319   27.963 31.34438 33.53246 
1 1 1    1   30   27 o  197.787   15.304  501.450   75.001  556.357   97.814  423.103  116.841  206.930   19.146  176.605   27.380 30.32422 33.40995 
1 1 1    1   30   28 o  141.306   10.382  253.056   36.379  232.292   53.543  270.861   49.581  133.867   16.357  145.414   13.820 -11.54710 21.41364 
1 1 1    1   30   29 o  167.142   10.027  353.280   41.659  362.788   60.635  344.779   57.334  168.220   14.578  164.093   14.130 4.127167 20.30207 
1 1 1    1   30   30 o  180.436   9.7418  411.342   43.732  443.427   62.602  380.760   61.118  186.363   13.544  172.391   14.327 13.97241 19.71573 
1 1 1    1   30   31 o   87.405   10.442   97.745   22.340  115.599   34.425   84.756   29.363   94.040   15.176   80.224   15.214 13.81623 21.48869 
1 1 1    1   30   32 o  145.567   13.942  272.292   50.061  253.656   93.566  279.766   59.255  134.686   28.697  146.775   16.450 -12.08842 33.07748 
1 1 1    1   30   33 o   56.191   11.243   41.362   15.225   56.158   23.443   30.568   20.023   65.024   14.773   48.788   14.988 16.23578 21.04522 
1 1 1    1   30   34 o  102.431   10.274  133.977   25.927  136.260   37.399  131.865   35.975  102.029   15.138  100.444   14.785 1.585068 21.15995 
1 1 1    1   30   35 f  150.047   9.4654  285.571   35.285  361.449   50.337  212.273   49.474  168.100   12.072  127.364   15.902 40.73656 19.96498 
1 1 1    1   30   36 o  166.869   12.337  357.244   51.043  361.717  100.801  355.701   59.193  160.987   25.957  165.691   14.451 -4.704468 29.70827 
1 1 1    1   30   37 o   69.939   25.677   59.351   58.791   0.0000   0.0000   59.351   58.791  ?   ?    69.939   25.677 0.000000 25.67668 
1 1 1    1   30   38 o  112.819   12.050  164.718   33.423  157.022   79.737  166.359   36.813  102.642   29.525  112.959   13.306 -10.31725 32.38503 
1 1 1    1   30   39 o  113.112   10.058  164.102   28.112  152.758   73.577  166.041   30.420  101.206   28.110  113.535   10.862 -12.32957 30.13535 
1 1 1    1   30   40 o  243.224   21.013  811.870  126.375   0.0000   0.0000  811.870  126.375  ?   ?   243.224   21.013 0.000000 21.01309 
1 1 1    1   31    0 o   70.873   15.176   67.872   26.049   44.703   42.711   81.595   32.870   60.507   21.935   77.119   17.473 -16.61133 28.04373 
1 1 1    1   31    1 o  229.566   10.824  672.341   62.048  445.108  103.631  799.325   77.469  178.554   23.837  249.459   12.436 -70.90538 26.88614 
1 1 1    1   31    2 o  258.192   12.842  856.120   82.799  800.684  141.273  885.127  102.190  240.870   23.798  260.271   15.798 -19.40092 28.56422 
1 1 1    1   31    3 o   79.831   19.665   87.694   38.945   0.0000   0.0000   87.694   38.945  ?   ?    79.831   19.665 0.000000 19.66453 
1 1 1    1   31    4 o   94.632   12.344  116.219   28.476  125.376   48.975  111.542   35.001   95.331   21.128   91.583   15.880 3.747719 26.43022 
1 1 1    1   31    5 f  102.500   11.862  135.560   29.801  156.467   52.926  125.854   36.061  107.155   20.526   97.686   15.284 9.469604 25.59155 
1 1 1    1   31    6 o  307.012   13.511  1207.23  103.586  1104.30  179.643  1258.51  126.786  283.676   25.636  311.260   16.369 -27.58450 30.41661 
1 1 1    1   31    7 f  116.654   15.890  178.599   45.084  219.000   61.704  132.330   66.034  127.729   20.002   96.728   26.537 31.00108 33.23112 
1 1 1    1   31    8 o   87.575   12.612   99.624   26.785  131.594   50.793   87.308   31.525   98.080   21.345   80.926   16.165 17.15330 26.77517 
1 1 1    1   31    9 o  133.351   11.214  227.086   36.998  261.896   67.902  212.388   44.122  140.141   19.968  128.129   14.019 12.01154 24.39720 
1 1 1    1   31   10 o   52.599   14.953   36.426   20.570   97.153   45.383   20.725   23.076   84.268   21.497   44.078   16.101 40.19002 26.85859 
1 1 1    1   31   11 o  154.709   10.844  304.468   41.630  302.785   75.970  305.190   49.767  150.714   20.734  154.264   13.041 -3.549408 24.49466 
1 1 1    1   31   12 o  176.543   18.178  407.840   78.992   0.0000   0.0000  407.840   78.992  ?   ?   176.543   18.178 0.000000 18.17766 
1 1 1    1   31   13 o  348.084   14.764  1550.30  128.331  1565.51  224.189  1542.88  156.509  339.871   26.628  344.634   18.251 -4.762421 32.28203 
1 1 1    1   31   14 o   96.060   11.931  118.735   28.004  146.455   56.832  109.846   32.183  103.605   22.602   91.679   14.543 11.92521 26.87667 
1 1 1    1   31   15 o  177.980   11.247  402.474   49.731  343.234   89.685  428.776   59.760  159.862   23.139  183.154   13.154 -23.29170 26.61619 
1 1 1    1   31   16 o  278.067   12.754  982.152   88.561  963.356  155.275  991.214  107.816  269.244   23.325  277.771   15.607 -8.527191 28.06436 
1 1 1    1   31   17 o  153.468   14.232  302.691   53.921  319.705   75.237  284.724   77.316  155.771   19.788  146.037   21.874 9.733963 29.49668 
1 1 1    1   31   18 o  105.805   13.785  144.749   35.557   0.0000   0.0000  144.749   35.557  ?   ?   105.805   13.785 0.000000 13.78518 
1 1 1    1   31   19 o  228.234   17.315  673.623   97.951  673.623   97.951   0.0000   0.0000  228.234   17.315  ?   ?  0.000000 17.31517 
1 1 1    1   31   20 o  268.363   11.275  910.668   75.559  970.020  112.124  861.293  102.267  274.591   16.427  258.938   15.893 15.65302 22.85662 
1 1 1    1   31   21 o  112.460   11.134  161.354   30.857  123.406   51.927  182.069   38.366   95.329   22.223  119.061   13.122 -23.73175 25.80804 
1 1 1    1   31   22 o  255.654   11.336  826.376   72.371  855.009  107.004  802.235   98.251  257.668   16.720  249.957   15.822 7.710831 23.01971 
1 1 1    1   31   23 o  179.401   14.553  412.679   64.634  455.562  123.362  396.453   75.884  182.562   27.949  174.752   17.630 7.809357 33.04490 
1 1 1    1   31   24 f   84.107   12.665   91.603   25.776   60.951   44.235  107.362   31.718   68.949   22.422   90.750   14.483 -21.80051 26.69300 
1 1 1    1   31   25 o   47.272   14.013   28.864   17.724   21.072   37.067   31.174   20.180   50.906   19.978   49.291   15.030 1.614784 25.00048 
1 1 1    1   31   26 f  124.365   10.698  196.669   32.902  209.518   51.594  187.863   42.714  126.819   16.697  120.622   14.469 6.196762 22.09439 
1 1 1    1   31   27 o  151.150   10.276  289.533   38.556  300.723   58.299  280.834   51.402  152.652   15.509  147.893   14.088 4.759018 20.95255 
1 1 1    1   31   28 o  197.007   15.326  498.902   74.804  509.198   94.868  481.977  121.628  197.323   19.508  188.390   26.593 8.932907 32.98137 
1 1 1    1   31   29 o   47.142   12.788   29.154   15.436   43.881   30.122   23.909   17.976   58.469   18.452   43.962   14.294 14.50715 23.34065 
1 1 1    1   31   30 o  208.583   10.924  551.733   56.700  533.059   80.619  570.010   79.759  203.223   16.016  210.491   15.278 -7.267853 22.13420 
1 1 1    1   31   31 o  110.063   9.9046  154.150   26.931  168.612   40.258  142.436   36.231  114.002   14.467  104.707   14.225 9.294533 20.28892 
1 1 1    1   31   32 f  105.557   10.328  142.233   26.874  138.159   39.693  145.681   36.518  102.475   16.037  105.851   14.171 -3.375595 21.40101 
1 1 1    1   31   33 o  124.076   15.150  200.686   45.966   26.991   98.122  249.519   52.027   73.165   31.004  138.474   15.301 -65.30898 34.57462 
1 1 1    1   31   34 f  110.154   10.610  155.288   28.825  159.874   39.799  150.227   41.805  110.557   14.786  106.634   16.210 3.923058 21.94043 
1 1 1    1   31   35 o  102.861   9.4722  135.028   24.057  154.000   34.799  117.662   33.294  108.911   13.055   94.539   14.571 14.37198 19.56430 
1 1 1    1   31   36 o   57.934   10.691   44.000   14.897   58.148   22.276   32.555   20.035   66.002   13.952   49.780   14.931 16.22118 20.43516 
1 1 1    1   31   37 o  134.684   12.592  234.972   41.858  278.670   90.969  223.235   47.145  138.520   27.269  130.389   14.738 8.131088 30.99718 
1 1 1    1   31   38 o   71.915   25.981   67.702   59.848   0.0000   0.0000   67.702   59.848  ?   ?    71.915   25.981 0.000000 25.98144 
1 1 1    1   31   39 o   51.018   13.475   34.987   17.423   2.4327   74.696   36.860   17.917   59.241   26.066   52.325   13.590 6.915405 29.39643 
1 1 1    1   31   40 o  150.156   17.562  304.833   64.609   0.0000   0.0000  304.833   64.609  ?   ?   150.156   17.562 0.000000 17.56223 
1 1 1    1   32    0 o   60.160   16.497   50.003   25.526   62.979   41.109   41.861   32.564   66.922   21.603   56.406   19.259 10.51603 28.94113 
1 1 1    1   32    1 o  176.927   11.562  404.714   50.802  321.292   84.576  451.802   63.542  149.964   23.344  185.651   13.805 -35.68756 27.12046 
1 1 1    1   32    2 o  156.520   11.420  315.985   44.328  239.534   74.021  358.733   55.351  129.465   23.772  165.805   13.485 -36.34007 27.33033 
1 1 1    1   32    3 o  180.100   11.292  416.735   50.526  341.755   85.515  456.950   62.627  156.648   22.507  187.529   13.463 -30.88022 26.22647 
1 1 1    1   32    4 o  139.559   18.586  262.265   63.164   0.0000   0.0000  262.265   63.164  ?   ?   139.559   18.586 0.000000 18.58625 
1 1 1    1   32    5 o  146.199   11.755  274.901   42.554  185.697   74.391  318.287   51.881  113.195   26.743  156.725   13.385 -43.53030 29.90513 
1 1 1    1   32    6 o  369.109   15.565  1768.77  143.466  1845.82  249.107  1730.52  175.492  361.550   27.804  360.702   19.556 0.8484192 33.99292 
1 1 1    1   32    7 o  276.210   13.109  978.159   90.422  1038.67  158.113  948.755  110.225  276.380   23.122  269.573   16.453 6.806396 28.37790 
1 1 1    1   32    8 o  345.298   14.813  1537.55  127.728  1550.95  222.310  1530.95  156.057  334.127   26.871  341.226   18.382 -7.098999 32.55695 
1 1 1    1   32    9 f  254.944   15.513  842.367   98.295  1105.14  139.689  584.630  138.343  289.194   19.456  204.045   27.880 85.14879 33.99767 
1 1 1    1   32   10 o  159.884   11.510  326.621   45.645  324.343   83.531  327.591   54.503  154.695   22.265  159.323   13.836 -4.628433 26.21375 
1 1 1    1   32   11 o  310.111   13.896  1231.91  107.612  1180.90  188.969  1256.39  130.912  293.607   26.044  310.877   16.927 -17.27002 31.06131 
1 1 1    1   32   12 o  210.269   12.185  564.498   63.709  380.513  112.788  650.708   77.206  164.416   28.504  225.117   13.800 -60.70105 31.66874 
1 1 1    1   32   13 o  162.728   11.536  337.810   46.574  229.643   84.975  384.256   55.682  127.637   27.474  173.134   12.973 -45.49699 30.38289 
1 1 1    1   32   14 o  159.281   17.748  332.644   69.392   0.0000   0.0000  332.644   69.392  ?   ?   159.281   17.748 0.000000 17.74778 
1 1 1    1   32   15 o  243.367   12.525  755.403   75.863  756.040  134.996  755.108   91.715  237.671   23.035  242.103   15.248 -4.431351 27.62416 
1 1 1    1   32   16 o  234.289   12.057  698.896   70.303  646.388  124.377  723.548   85.223  219.785   23.002  237.407   14.444 -17.62285 27.16125 
1 1 1    1   32   17 o  129.451   13.123  215.457   41.836   0.0000   0.0000  215.457   41.836  ?   ?   129.451   13.123 0.000000 13.12304 
1 1 1    1   32   18 o  159.288   20.954  337.395   81.327  337.395   81.327   0.0000   0.0000  159.288   20.954  ?   ?  0.000000 20.95412 
1 1 1    1   32   19 o  239.052   15.599  735.851   92.611  862.187  129.192  602.302  132.828  256.186   20.362  210.701   25.783 45.48459 32.85386 
1 1 1    1   32   20 o  189.755   11.487  457.745   54.173  453.085   95.460  459.958   65.793  184.997   21.038  189.398   14.010 -4.401245 25.27613 
1 1 1    1   32   21 o  152.204   10.560  294.138   39.887  310.639   65.007  284.175   50.514  154.404   17.150  148.732   13.756 5.672165 21.98500 
1 1 1    1   32   22 o  120.781   11.078  186.064   33.040  231.666   56.130  161.886   40.870  133.058   17.302  111.567   15.054 21.49132 22.93469 
1 1 1    1   32   23 f  194.525   10.772  479.832   52.121  484.262   79.975  476.561   68.718  193.364   16.727  192.711   14.383 0.6522522 22.06081 
1 1 1    1   32   24 o  211.909   15.426  577.996   81.068  621.107  148.846  559.815   96.663  212.237   28.831  206.992   18.909 5.245148 34.47865 
1 1 1    1   32   25 o  202.394   12.627  522.318   63.501  498.092   85.300  552.434   95.105  195.703   17.644  205.675   18.722 -9.972092 25.72593 
1 1 1    1   32   26 o   90.115   11.755  104.603   25.822  120.870   44.141   96.141   31.837   94.888   19.286   85.390   15.502 9.497849 24.74382 
1 1 1    1   32   27 o   58.083   13.647   44.691   19.458   50.785   37.630   42.466   22.733   63.124   20.688   56.645   15.583 6.479000 25.90031 
1 1 1    1   32   28 o  121.084   10.485  186.747   31.391  233.406   50.042  156.473   40.308  134.131   15.209  109.536   15.141 24.59474 21.46082 
1 1 1    1   32   29 o  188.662   15.052  459.319   70.323  430.511   86.876  514.065  119.764  180.611   19.575  194.242   25.290 -13.63025 31.98128 
1 1 1    1   32   30 o   89.474   12.171  103.608   26.488   94.129   43.872  109.046   33.228   82.930   21.126   91.010   15.153 -8.080620 25.99855 
1 1 1    1   32   31 o  108.919   11.132  152.107   29.853  136.070   44.598  165.125   40.184  100.714   18.411  112.507   14.650 -11.79311 23.52867 
1 1 1    1   32   32 o  122.901   10.185  192.687   30.976  231.045   45.648  159.948   42.172  133.511   13.895  110.218   15.772 23.29344 21.01968 
1 1 1    1   32   33 o   39.830   12.284   20.292   13.434   18.039   23.597   21.372   16.341   42.791   16.158   41.520   13.634 1.271969 21.14185 
1 1 1    1   32   34 o   37.199   12.889   16.176   14.604   64.046   87.606   14.808   14.811   77.048   30.561   36.373   12.949 40.67484 33.19141 
1 1 1    1   32   35 o  162.133   14.620  343.338   58.558  330.703  113.296  347.944   68.403  148.028   31.610  161.898   17.182 -13.86972 35.97818 
1 1 1    1   32   36 o  101.765   10.079  133.090   25.277  138.210   36.778  128.506   34.798  102.097   14.862   98.485   14.591 3.612061 20.82679 
1 1 1    1   32   37 o   78.069   14.641   81.810   27.494 -28.2155   94.379   92.013   28.741   60.754   27.782   82.998   14.388 -22.24467 31.28645 
1 1 1    1   32   38 o   77.366   13.840   80.037   25.757   7.8436   88.108   86.783   26.933   64.047   28.240   80.622   13.878 -16.57471 31.46600 
1 1 1    1   32   39 o   36.658   12.522   16.248   13.765   0.0000   0.0000   16.248   13.765  ?   ?    36.658   12.522 0.000000 12.52158 
1 1 1    1   33    0 o   48.345   16.654   30.453   24.365   11.849   40.250   41.213   30.612   46.869   19.859   54.979   18.673 -8.109726 27.25941 
1 1 1    1   33    1 o   84.274   19.376  102.195   39.924   81.682   49.486  140.436   67.567   73.917   23.685   93.808   27.235 -19.89085 36.09390 
1 1 1    1   33    2 o   58.447   16.665   47.337   25.511   16.613   43.701   63.219   31.421   50.300   20.962   66.896   18.286 -16.59583 27.81695 
1 1 1    1   33    3 o   71.370   15.746   69.948   27.310   79.586   48.742   65.539   32.971   74.148   23.480   68.249   18.763 5.898506 30.05609 
1 1 1    1   33    4 o  193.437   11.619  483.567   55.866  460.153   95.836  495.619   68.757  181.456   21.572  194.186   14.279 -12.73022 25.87020 
1 1 1    1   33    5 o  220.427   11.982  627.194   65.707  393.265  112.789  747.372   80.842  162.113   28.922  239.588   13.568 -77.47507 31.94625 
1 1 1    1   33    6 o  165.122   18.889  368.528   76.486   0.0000   0.0000  368.528   76.486  ?   ?   165.122   18.889 0.000000 18.88906 
1 1 1    1   33    7 o  191.119   11.853  469.837   56.293  422.411   99.878  491.916   68.148  173.913   23.608  194.390   14.135 -20.47691 27.51641 
1 1 1    1   33    8 o  310.756   14.134  1248.83  109.684  1125.50  191.089  1309.43  133.948  280.907   27.597  315.335   17.074 -34.42755 32.45186 
1 1 1    1   33    9 o  214.510   11.991  590.262   63.974  675.299  114.629  551.793   77.099  223.770   20.750  205.778   15.109 17.99242 25.66778 
1 1 1    1   33   10 o  182.233   14.939  432.195   67.387  439.660   95.193  424.697   95.407  179.959   21.615  176.503   22.133 3.456253 30.93632 
1 1 1    1   33   11 o   66.588   15.559   59.617   25.405   58.503   60.317   59.857   28.011   70.117   25.961   66.527   16.844 3.590279 30.94711 
1 1 1    1   33   12 o  189.078   12.555  458.804   58.943  215.900  105.254  569.782   71.145  119.415   33.782  210.306   13.620 -90.89101 36.42432 
1 1 1    1   33   13 o  250.846   12.985  806.900   81.058  583.359  143.208  912.278   98.325  202.715   29.126  265.684   14.880 -62.96872 32.70704 
1 1 1    1   33   14 o  297.675   14.284  1138.26  106.179  756.767  185.751  1323.41  129.405  227.301   33.750  319.271   16.285 -91.96982 37.47319 
1 1 1    1   33   15 o  100.520   17.875  135.110   43.224   0.0000   0.0000  135.110   43.224  ?   ?   100.520   17.875 0.000000 17.87450 
1 1 1    1   33   16 o  187.730   18.648  464.407   86.265   0.0000   0.0000  464.407   86.265  ?   ?   187.730   18.648 0.000000 18.64823 
1 1 1    1   33   17 o  135.983   16.214  241.850   53.973  246.243   72.749  236.471   80.495  134.592   22.435  130.288   25.654 4.303436 34.07994 
1 1 1    1   33   18 o  109.393   12.322  154.148   33.073  158.187   64.081  152.682   38.614  106.580   24.579  108.185   14.672 -1.604958 28.62479 
1 1 1    1   33   19 o   61.324   15.031   50.168   22.840   32.195   49.309   55.077   25.771   59.200   23.096   64.140   16.111 -4.939178 28.16000 
1 1 1    1   33   20 o  185.425   15.178  444.438   69.665  442.272   94.784  446.982  102.739  182.076   21.246  182.012   23.126 0.6321716E-01 31.40388 
1 1 1    1   33   21 o  138.194   11.626  244.110   39.749  249.757   70.487  241.477   48.133  136.206   21.432  136.635   14.319 -0.4294891 25.77522 
1 1 1    1   33   22 o   84.456   13.391   93.128   27.301  106.578   54.580   88.640   31.528   87.766   24.146   81.649   16.035 6.117065 28.98548 
1 1 1    1   33   23 o  194.609   11.394  482.125   55.129  497.608   84.919  470.846   72.480  195.176   17.613  190.837   15.339 4.338333 23.35575 
1 1 1    1   33   24 o   83.546   12.819   90.873   25.889  115.491   47.831   80.672   30.790   91.900   21.264   77.714   16.382 14.18606 26.84263 
1 1 1    1   33   25 o  272.244   12.785  944.784   86.917  955.013  127.953  936.019  118.437  269.740   19.120  267.897   17.805 1.842865 26.12637 
1 1 1    1   33   26 o  259.000   16.975  872.384  109.182  883.293  187.917  866.826  134.147  249.780   30.778  255.340   21.231 -5.560379 37.39040 
1 1 1    1   33   27 o   81.175   12.430   85.787   24.395  124.158   43.346   68.000   29.513   96.010   18.752   71.088   16.877 24.92144 25.22869 
1 1 1    1   33   28 o  188.849   12.350  456.612   57.919  437.705   86.266  472.130   78.154  181.689   19.309  190.169   16.624 -8.480225 25.47990 
1 1 1    1   33   29 o   51.936   13.694   35.842   18.013   61.769   35.281   26.701   20.949   67.619   19.695   46.457   15.446 21.16225 25.02936 
1 1 1    1   33   30 o  144.689   10.726  267.402   38.480  252.203   58.266  279.159   51.245  138.061   17.279  146.656   14.169 -8.594299 22.34543 
1 1 1    1   33   31 o  279.679   17.801  1030.52  123.678  1101.70  162.953  933.812  189.947  284.181   23.164  253.824   30.583 30.35728 38.36529 
1 1 1    1   33   32 o   81.209   10.784   85.372   21.329   96.307   34.223   78.428   27.273   84.465   16.816   76.644   14.785 7.820953 22.39201 
1 1 1    1   33   33 o   48.925   12.285   31.891   14.987   57.806   26.346   19.493   18.223   65.236   16.237   40.920   14.385 24.31588 21.69266 
1 1 1    1   33   34 o   91.086   10.996  107.480   24.505  108.251   36.727  106.861   32.898   89.292   17.094   89.383   15.288 -0.9167480E-01 22.93296 
1 1 1    1   33   35 o  100.888   10.095  131.039   25.092  163.995   37.802  105.083   33.549  111.603   13.863   88.290   15.796 23.31249 21.01658 
1 1 1    1   33   36 o  126.417   15.652  213.247   48.354  108.132  120.176  233.552   52.818   88.262   35.528  131.983   16.377 -43.72027 39.12130 
1 1 1    1   33   37 o   68.596   11.207   61.951   18.535   73.337   27.943   53.006   24.768   73.232   15.748   62.125   15.899 11.10777 22.37797 
1 1 1    1   33   38 o   80.889   15.462   89.081   30.093   0.0000   0.0000   89.081   30.093  ?   ?    80.889   15.462 0.000000 15.46185 
1 1 1    1   34    0 o   34.369   14.794   2.4335   22.972  -9.0440   39.437   8.3283   28.262   40.219   18.222   39.466   16.677 0.7531509 24.70159 
1 1 1    1   34    1 o   32.408   14.160  -1.1266   21.704   9.6437   38.444  -6.1655   26.295   44.878   19.223   33.887   15.155 10.99131 24.47840 
1 1 1    1   34    2 o   66.839   16.674   63.739   27.738   46.940   47.219   72.591   34.275   59.726   22.784   70.336   19.046 -10.60941 29.69580 
1 1 1    1   34    3 o   76.970   20.411   87.396   39.871   68.802   49.915  120.171   66.270   68.410   23.821   86.020   27.393 -17.61070 36.30200 
1 1 1    1   34    4 o   37.069   15.264   8.0846   22.785 -22.4170   44.835   18.705   26.457   41.186   18.949   43.548   16.938 -2.362270 25.41549 
1 1 1    1   34    5 o  199.131   12.332  518.211   61.024  460.311  106.143  546.797   74.582  176.402   24.779  202.574   14.847 -26.17209 28.88632 
1 1 1    1   34    6 o  139.558   11.961  253.921   41.282  234.208   74.362  262.703   49.633  126.029   24.511  140.706   14.325 -14.67738 28.39009 
1 1 1    1   34    7 o  231.368   13.031  697.878   74.983  598.511  131.247  746.027   91.361  201.254   26.780  237.181   15.511 -35.92668 30.94754 
1 1 1    1   34    8 o   92.730   16.868  117.142   37.620   0.0000   0.0000  117.142   37.620  ?   ?    92.730   16.868 0.000000 16.86765 
1 1 1    1   34    9 o  155.482   11.806  312.388   45.495  256.995   83.127  336.076   54.360  132.719   26.012  160.380   13.705 -27.66064 29.40115 
1 1 1    1   34   10 o   53.615   16.189   38.308   23.497   69.409   53.305   30.807   26.177   71.636   24.635   49.981   17.259 21.65473 30.07984 
1 1 1    1   34   11 o   64.862   16.139   57.200   26.036   9.2942   54.561   71.324   29.627   53.846   22.978   72.337   16.734 -18.49035 28.42579 
1 1 1    1   34   12 f   76.436   20.680   81.328   40.429   53.617   57.590  108.255   56.768   67.393   25.285   86.926   24.886 -19.53303 35.47756 
1 1 1    1   34   13 o  114.943   12.048  170.849   34.069   88.037   67.260  199.428   39.512   80.142   27.667  123.958   12.956 -43.81551 30.54996 
1 1 1    1   34   14 o  139.368   11.858  249.940   40.877  185.484   78.358  274.039   47.913  112.633   27.983  145.418   13.343 -32.78507 31.00179 
1 1 1    1   34   15 o   68.212   16.958   63.116   28.763   0.0000   0.0000   63.116   28.763  ?   ?    68.212   16.958 0.000000 16.95816 
1 1 1    1   34   16 o  131.032   16.587  226.815   53.058  202.081   72.024  256.165   78.459  119.658   24.914  135.597   24.052 -15.93942 34.62900 
1 1 1    1   34   17 o   94.373   18.072  120.227   41.039   0.0000   0.0000  120.227   41.039  ?   ?    94.373   18.072 0.000000 18.07220 
1 1 1    1   34   18 o  158.597   12.187  322.964   47.897  238.032   86.625  360.364   57.483  128.741   27.762  166.897   13.920 -38.15556 31.05568 
1 1 1    1   34   19 o   49.931   15.809   32.029   22.097  -7.2351   49.920   41.597   24.643   48.397   21.302   56.020   16.501 -7.622982 26.94522 
1 1 1    1   34   20 o  134.051   11.613  230.501   38.490  290.624   72.013  206.457   45.540  147.054   20.139  125.771   14.782 21.28381 24.98201 
1 1 1    1   34   21 o  122.160   11.895  191.934   35.827  222.179   66.368  179.496   42.561  127.623   21.595  117.136   14.887 10.48705 26.22898 
1 1 1    1   34   22 f  148.882   16.398  290.874   59.956  296.381   77.219  282.514   95.140  147.811   21.554  140.543   28.090 7.267670 35.40711 
1 1 1    1   34   23 o  252.062   12.994  815.389   81.512  851.382  140.215  797.016  100.178  250.876   22.625  247.283   16.315 3.592773 27.89342 
1 1 1    1   34   24 o  113.209   12.527  165.680   34.821  118.094   62.306  187.294   41.990   91.204   26.058  119.854   14.313 -28.64948 29.72989 
1 1 1    1   34   25 o   84.774   13.268   94.194   27.166  135.189   52.575   79.261   31.730   98.754   21.894   76.580   17.032 22.17346 27.73880 
1 1 1    1   34   26 o  195.013   12.188  487.835   59.057  556.272  100.435  451.668   73.013  203.892   19.983  185.897   15.880 17.99489 25.52429 
1 1 1    1   34   27 o  161.568   15.719  341.947   62.617  379.079  157.471  334.972   68.245  151.760   40.710  159.039   17.472 -7.279053 44.30080 
1 1 1    1   34   28 o  276.908   12.747  983.955   88.146  1148.82  129.921  843.340  119.985  295.085   17.713  251.458   19.254 43.62717 26.16248 
1 1 1    1   34   29 o  226.510   12.785  661.136   72.023  685.161  107.255  641.405   97.198  226.331   19.157  219.898   17.855 6.431946 26.18718 
1 1 1    1   34   30 o  150.246   11.516  290.377   42.879  305.824   65.268  278.647   56.875  151.360   17.596  145.243   15.943 6.117050 23.74484 
1 1 1    1   34   31 o  185.410   10.686  440.192   49.267  452.997   72.878  429.415   66.859  185.354   15.899  181.003   14.925 4.350861 21.80652 
1 1 1    1   34   32 o  100.571   17.643  137.588   42.692  128.891   46.133  189.446  112.655   96.287   19.846  107.750   35.819 -11.46336 40.94965 
1 1 1    1   34   33 o   91.195   11.268  108.202   25.115  101.814   38.775  112.820   32.965   85.653   18.656   91.843   14.883 -6.190514 23.86533 
1 1 1    1   34   34 o  133.356   10.656  229.269   35.191  252.288   52.378  210.328   47.513  137.606   15.513  125.534   15.485 12.07250 21.91889 
1 1 1    1   34   35 o   77.414   11.121   78.526   20.882   93.777   32.648   67.967   27.166   82.737   16.381   70.374   15.840 12.36317 22.78736 
1 1 1    1   34   36 o   65.585   11.698   57.112   18.456   62.277   28.756   53.495   24.067   66.866   17.141   62.355   15.518 4.511150 23.12211 
1 1 1    1   34   37 o   64.230   15.658   56.970   24.887   0.0000   0.0000   56.970   24.887  ?   ?    64.230   15.658 0.000000 15.65794 
1 1 1    1   35    0 o   58.319   20.801   53.529   38.232   0.0000   0.0000   53.529   38.232  ?   ?    58.319   20.801 0.000000 20.80064 
1 1 1    1   35    1 o  143.154   12.853  280.472   45.457  161.820   77.164  343.532   56.254   90.194   29.628  156.647   14.547 -66.45287 33.00679 
1 1 1    1   35    2 o  164.312   12.173  363.332   49.591  229.017   84.091  434.951   61.405  110.938   29.745  177.897   13.934 -66.95856 32.84670 
1 1 1    1   35    3 o   31.667   14.097  -4.5393   22.475  -7.7803   44.055  -3.3990   26.131   42.679   19.305   34.457   15.277 8.221783 24.61825 
1 1 1    1   35    4 f   54.024   20.735   36.656   39.256   40.066   49.939   31.141   63.509   57.485   22.986   58.190   24.811 -0.7055664 33.82177 
1 1 1    1   35    5 o   54.528   17.064   41.708   25.818   88.091   51.928   26.479   29.756   74.984   24.288   47.733   18.116 27.25040 30.29963 
1 1 1    1   35    6 o  137.992   12.477  252.233   42.530  129.660   75.836  308.473   51.369   87.709   29.393  151.834   13.696 -64.12550 32.42717 
1 1 1    1   35    7 o   58.215   16.938   47.453   26.107   41.162   53.767   49.394   29.864   60.111   23.911   59.295   18.320 0.8159409 30.12192 
1 1 1    1   35    8 o  145.499   11.983  277.214   43.153  204.557   78.655  308.501   51.614  113.648   27.917  152.477   13.702 -38.82919 31.09818 
1 1 1    1   35    9 o  175.567   19.468  428.773   83.916   0.0000   0.0000  428.773   83.916  ?   ?   175.567   19.468 0.000000 19.46819 
1 1 1    1   35   10 o  142.981   12.255  266.944   43.333  242.054   82.475  276.435   50.929  126.204   26.987  144.393   14.313 -18.18914 30.54742 
1 1 1    1   35   11 o   70.822   15.659   68.686   26.958   15.859   57.887   83.317   30.464   55.825   23.742   77.969   16.176 -22.14351 28.72879 
1 1 1    1   35   12 o   47.001   16.243   27.296   23.187   44.360   54.490   23.523   25.622   62.769   24.337   45.902   16.935 16.86742 29.64957 
1 1 1    1   35   13 f  161.850   12.398  340.038   49.727  140.724   91.475  423.642   59.245   94.920   32.280  180.273   13.253 -85.35339 34.89443 
1 1 1    1   35   14 f   54.270   22.909   14.419   53.240   0.0000   0.0000   14.419   53.240  ?   ?    54.270   22.909 0.000000 22.90879 
1 1 1    1   35   15 o   57.120   21.172   37.825   40.138  -9.8699   56.784   85.452   56.743   50.291   22.396   77.673   25.402 -27.38231 33.86507 
1 1 1    1   35   16 o  101.825   14.072  136.781   34.826   74.139   67.781  159.250   40.594   75.152   27.573  109.514   15.258 -34.36163 31.51346 
1 1 1    1   35   17 o   75.424   14.841   76.359   26.956   67.401   57.129   78.925   30.574   71.565   25.437   76.172   16.547 -4.606499 30.34568 
1 1 1    1   35   18 o   72.275   15.521   70.570   27.176   39.311   59.779   78.713   30.511   63.508   25.228   76.109   16.527 -12.60016 30.15939 
1 1 1    1   35   19 o  122.558   17.539  201.623   52.146   0.0000   0.0000  201.623   52.146  ?   ?   122.558   17.539 0.000000 17.53857 
1 1 1    1   35   20 o  130.366   12.733  220.488   40.924  175.887   75.106  239.322   48.806  109.237   27.540  135.048   14.710 -25.81116 31.22264 
1 1 1    1   35   21 f   57.239   15.609   44.171   22.926   74.736   52.224   36.874   25.517   73.822   24.380   53.196   17.004 20.62608 29.72445 
1 1 1    1   35   22 f   37.593   14.366   13.195   18.796   64.209   48.282   4.0837   20.405   69.337   23.452   34.291   14.310 35.04609 27.47302 
1 1 1    1   35   23 o  171.856   12.421  381.209   52.949  373.880   91.120  384.946   65.060  164.098   22.857  171.235   15.379 -7.137375 27.54889 
1 1 1    1   35   24 o  128.606   17.945  222.455   56.061  243.865   69.720  183.291   94.294  132.622   21.810  108.806   32.336 23.81577 39.00445 
1 1 1    1   35   25 o  153.581   12.236  304.749   46.537  357.574   80.373  278.107   57.078  161.944   20.322  144.940   16.039 17.00438 25.88858 
1 1 1    1   35   26 o  197.775   12.636  505.600   62.081  590.605  105.253  460.250   76.877  208.271   20.503  186.313   16.701 21.95744 26.44430 
1 1 1    1   35   27 o   90.331   13.373  107.574   29.255   82.768   53.626  118.084   34.907   76.614   24.668   93.962   15.411 -17.34835 29.08595 
1 1 1    1   35   28 o  227.562   13.150  671.964   74.406  749.290  124.331  628.817   92.873  233.132   21.602  217.176   17.267 15.95625 27.65497 
1 1 1    1   35   29 o  160.016   17.742  344.795   69.703   0.0000   0.0000  344.795   69.703  ?   ?   160.016   17.742 0.000000 17.74235 
1 1 1    1   35   30 o  177.075   12.616  407.437   55.423  421.894   89.933  398.584   70.374  174.366   21.082  172.767   16.513 1.599686 26.77950 
1 1 1    1   35   31 f  122.884   11.486  195.966   34.837  246.931   56.429  164.580   44.283  135.174   17.100  110.281   16.594 24.89251 23.82759 
1 1 1    1   35   32 o  134.731   11.229  235.221   37.435  266.636   59.718  214.885   48.048  140.086   17.449  126.673   15.514 13.41310 23.34833 
1 1 1    1   35   33 o  144.157   16.553  280.821   58.509  277.640   65.004  294.391  134.282  141.810   18.821  126.610   38.802 15.19967 43.12547 
1 1 1    1   35   34 o   42.915   12.906   24.384   14.954   38.745   26.976   18.013   17.967   53.798   17.511   39.561   14.244 14.23699 22.57247 
1 1 1    1   35   35 o  112.098   10.783  163.427   29.813  186.705   45.919  146.464   39.199  117.174   16.120  103.858   15.596 13.31587 22.42969 
1 1 1    1   35   36 o   81.067   15.233   89.987   29.706   0.0000   0.0000   89.987   29.706  ?   ?    81.067   15.233 0.000000 15.23335 
1 1 1    1   35   37 o   39.345   13.550   19.048   16.129   0.0000   0.0000   19.048   16.129  ?   ?    39.345   13.550 0.000000 13.55027 
1 1 1    1   36    0 o   26.416   12.599 -23.0974   23.099  -5.6931   43.291 -30.0246   27.312   40.473   18.621   27.885   13.406 12.58858 22.94432 
1 1 1    1   36    1 o   33.792   14.897   0.6776   24.508 -23.6776   46.499   10.045   28.838   38.878   18.346   39.029   16.682 -0.1506538 24.79595 
1 1 1    1   36    2 o   39.843   17.351   6.8381   32.348   0.0000   0.0000   6.8381   32.348  ?   ?    39.843   17.351 0.000000 17.35106 
1 1 1    1   36    3 o   53.441   17.990   42.659   28.409 -25.5766   54.472   68.153   33.295   42.425   19.970   65.827   19.121 -23.40248 27.64753 
1 1 1    1   36    4 o   31.042   13.967  -6.1167   22.707 -40.6853   49.012   3.3307   25.622   38.369   18.314   35.931   15.544 2.438618 24.02172 
1 1 1    1   36    5 o   73.119   16.714   78.308   29.853  100.084   57.031   70.089   35.036   76.123   25.490   67.464   19.620 8.659447 32.16591 
1 1 1    1   36    6 o   67.491   22.193   71.368   43.291   81.962   57.092   57.038   66.403   70.688   25.397   63.898   26.154 6.789890 36.45594 
1 1 1    1   36    7 o   92.590   14.516  118.547   32.460   65.274   62.209  138.479   38.051   66.424   25.934   99.309   15.879 -32.88502 30.40879 
1 1 1    1   36    8 o   72.972   16.151   75.561   28.652   78.706   57.880   74.540   32.976   71.032   25.566   71.369   18.389 -0.3367996 31.49242 
1 1 1    1   36    9 o   85.559   14.637  100.639   30.149   87.663   61.983  104.660   34.506   74.624   26.499   86.201   16.633 -11.57638 31.28647 
1 1 1    1   36   10 o   59.529   17.131   50.129   26.837   61.056   65.315   47.909   29.437   67.411   26.499   58.295   18.217 9.115879 32.15693 
1 1 1    1   36   11 o   67.560   19.684   66.027   35.237   0.0000   0.0000   66.027   35.237  ?   ?    67.560   19.684 0.000000 19.68389 
1 1 1    1   36   12 o   35.681   14.647   7.5296   20.903  -2.0385   53.252   9.2723   22.727   49.211   21.813   37.559   15.329 11.65203 26.66064 
1 1 1    1   36   13 o   43.321   16.367   20.074   24.220   0.0000   0.0000   20.074   24.220  ?   ?    43.321   16.367 0.000000 16.36701 
1 1 1    1   36   14 o   92.461   14.896  115.592   33.226  -7.4270   65.405  158.383   38.574   53.137   23.822  108.675   14.582 -55.53809 27.93075 
1 1 1    1   36   15 o   65.394   21.694   59.598   41.331   50.223   57.287   69.775   59.689   64.555   24.975   71.058   25.905 -6.502785 35.98326 
1 1 1    1   36   16 o  113.115   13.111  168.734   36.348  125.530   69.840  184.783   42.567   90.050   28.047  117.600   14.824 -27.54983 31.72402 
1 1 1    1   36   17 o  139.195   12.325  252.844   42.398  274.328   79.165  244.204   50.205  137.477   23.929  135.337   15.113 2.140427 28.30218 
1 1 1    1   36   18 o   72.204   15.643   71.311   27.390   41.311   60.084   79.181   30.774   63.066   25.215   75.781   16.711 -12.71504 30.24954 
1 1 1    1   36   19 o   89.638   14.150  107.302   30.623   64.963   59.959  122.244   35.619   70.152   25.902   95.212   15.515 -25.06078 30.19331 
1 1 1    1   36   20 o   85.326   18.483  101.402   38.244   0.0000   0.0000  101.402   38.244  ?   ?    85.326   18.483 0.000000 18.48346 
1 1 1    1   36   21 o   38.704   14.916   13.991   20.374   3.9262   51.655   15.845   22.172   50.763   22.016   40.587   15.581 10.17677 26.97197 
1 1 1    1   36   22 o  139.849   12.273  254.549   42.426  281.145   75.208  242.136   51.383  141.083   22.071  134.740   15.557 6.343384 27.00239 
1 1 1    1   36   23 o  164.434   12.464  351.733   50.799  343.165   88.502  355.942   62.035  154.816   23.642  163.754   15.350 -8.938004 28.18777 
1 1 1    1   36   24 o  165.328   11.893  354.384   48.774  373.427   82.960  344.326   60.294  163.867   20.738  161.120   15.164 2.746994 25.69041 
1 1 1    1   36   25 o   88.514   21.959  112.969   48.303  122.847   56.769   87.058   91.943   91.153   24.439   80.320   31.481 10.83371 39.85412 
1 1 1    1   36   26 o   49.520   15.517   32.478   21.340   69.835   46.177   22.333   24.064   70.329   22.911   44.626   16.421 25.70248 28.18785 
1 1 1    1   36   27 o   63.440   15.456   55.232   24.259   55.322   48.440   55.201   28.027   64.856   23.383   63.088   17.281 1.767899 29.07588 
1 1 1    1   36   28 o  170.340   12.591  378.905   53.181  450.083   87.708  337.523   66.876  180.185   19.820  157.738   17.260 22.44637 26.28187 
1 1 1    1   36   29 o   92.262   13.002  112.919   29.125   88.265   50.557  125.166   35.632   77.414   23.822   96.176   15.352 -18.76232 28.34083 
1 1 1    1   36   30 o  268.586   23.479  1042.06  155.893   0.0000   0.0000  1042.06  155.893  ?   ?   268.586   23.479 0.000000 23.47893 
1 1 1    1   36   31 o   67.574   14.025   62.148   22.892   66.890   40.396   59.905   27.784   68.266   21.342   65.437   16.889 2.828934 27.21598 
1 1 1    1   36   32 o   34.417   13.206   11.256   15.922   34.577   32.423   3.8442   18.278   52.716   19.112   32.270   13.511 20.44624 23.40534 
1 1 1    1   36   33 o   44.623   13.582   26.585   16.490   35.069   32.270   23.587   19.184   52.801   19.078   43.255   14.782 9.545860 24.13457 
1 1 1    1   36   34 o   79.486   12.281   84.263   23.591   93.504   38.506   78.710   29.849   80.479   19.389   75.047   16.387 5.432228 25.38636 
1 1 1    1   36   35 o   78.474   18.557   88.324   35.793   83.947   37.189  143.373  131.882   76.047   19.493   89.584   36.785 -13.53640 41.63063 
1 1 1    1   36   36 o   65.011   15.841   59.213   25.480   0.0000   0.0000   59.213   25.480  ?   ?    65.011   15.841 0.000000 15.84057 
1 1 1    1   37    0 o   61.288   18.954   65.169   31.960   72.550   55.934   61.591   38.943   59.129   24.080   57.793   20.946 1.335735 31.91551 
1 1 1    1   37    1 o   81.867   17.362  106.795   34.393   77.830   62.295  119.495   41.250   61.091   25.206   83.630   20.018 -22.53804 32.18852 
1 1 1    1   37    2 o   65.781   18.551   71.309   31.791   28.839   59.288   88.447   37.663   50.965   22.776   71.835   20.168 -20.87012 30.42230 
1 1 1    1   37    3 o  180.591   13.503  463.147   60.454  300.122  104.849  544.334   73.992  107.050   34.495  192.134   15.555 -85.08358 37.83970 
1 1 1    1   37    4 o  114.593   17.606  200.349   48.771   0.0000   0.0000  200.349   48.771  ?   ?   114.593   17.606 0.000000 17.60640 
1 1 1    1   37    5 o   81.676   16.418   99.619   32.325   51.887   61.324  117.984   38.039   58.558   24.646   87.683   17.976 -29.12511 30.50471 
1 1 1    1   37    6 o   82.200   16.206   99.549   32.083   10.514   61.958  132.169   37.503   50.703   22.918   94.808   16.436 -44.10516 28.20247 
1 1 1    1   37    7 o   68.502   22.477   77.751   44.415   81.986   60.429   72.774   65.502   68.442   25.854   65.751   26.313 2.691002 36.88922 
1 1 1    1   37    8 o   43.679   16.573   23.001   24.898   16.375   54.115   24.780   28.043   50.888   22.293   45.457   17.505 5.430553 28.34486 
1 1 1    1   37    9 o   40.913   15.915   17.916   23.362 -28.5333   53.741   28.739   25.942   42.659   20.002   46.950   17.084 -4.290947 26.30423 
1 1 1    1   37   10 o   39.438   15.521   15.315   22.431   49.048   50.847   7.1639   24.994   59.780   23.417   37.356   15.729 22.42365 28.20889 
1 1 1    1   37   11 o   56.331   16.897   45.524   25.659   19.740   57.826   51.845   28.632   53.956   23.347   59.681   17.837 -5.724930 29.38152 
1 1 1    1   37   12 o   50.880   18.507   33.587   30.442   0.0000   0.0000   33.587   30.442  ?   ?    50.880   18.507 0.000000 18.50725 
1 1 1    1   37   13 o   61.770   17.371   54.829   27.916   18.031   61.741   64.285   31.299   55.371   24.042   66.462   18.285 -11.09064 30.20531 
1 1 1    1   37   14 o   40.763   15.806   16.670   22.984   4.1047   56.205   19.194   25.187   50.902   22.494   42.907   16.571 7.994869 27.93878 
1 1 1    1   37   15 o   67.790   16.324   64.875   27.303   81.905   59.028   60.239   30.795   73.152   25.872   64.717   18.261 8.435600 31.66740 
1 1 1    1   37   16 o   40.836   15.590   17.367   22.120   31.588   53.687   14.459   24.276   57.129   23.466   40.517   16.082 16.61240 28.44784 
1 1 1    1   37   17 o   77.135   22.474   89.307   45.935   85.638   61.200   94.042   69.516   74.988   26.362   77.767   28.015 -2.778664 38.46843 
1 1 1    1   37   18 o  128.841   13.046  220.225   41.396  177.999   76.991  237.396   49.097  104.484   28.650  132.532   15.105 -28.04842 32.38826 
1 1 1    1   37   19 o   72.115   15.478   71.964   27.039   64.462   56.744   74.168   30.755   68.072   25.185   72.518   17.237 -4.445808 30.51905 
1 1 1    1   37   20 o   93.551   14.755  118.708   33.328   38.551   64.536  147.861   38.919   62.244   25.666  104.250   15.415 -42.00610 29.93906 
1 1 1    1   37   21 o  141.471   12.779  263.940   44.658  249.089   80.076  270.644   53.802  127.524   26.026  141.568   15.471 -14.04376 30.27742 
1 1 1    1   37   22 o  121.293   18.026  204.481   52.938   0.0000   0.0000  204.481   52.938  ?   ?   121.293   18.026 0.000000 18.02556 
1 1 1    1   37   23 o   71.552   15.556   70.782   27.003   83.727   55.904   66.842   30.839   74.884   25.236   68.715   17.822 6.168770 30.89413 
1 1 1    1   37   24 o  124.156   13.074  204.170   39.925  133.102   70.312  237.988   48.502   91.182   28.100  133.075   14.849 -41.89389 31.78164 
1 1 1    1   37   25 o  128.928   12.822  219.650   40.732  155.840   71.265  250.610   49.640   98.777   27.746  136.592   14.789 -37.81494 31.44165 
1 1 1    1   37   26 o   98.498   14.071  130.536   33.625  114.360   60.393  137.803   40.480   85.665   25.974   99.779   16.846 -14.11372 30.95894 
1 1 1    1   37   27 o   94.079   21.861  130.819   50.381  124.284   57.381  152.809  105.262   89.806   24.779   92.954   34.320 -3.148354 42.33033 
1 1 1    1   37   28 o  124.881   12.492  206.066   38.435  196.735   65.317  211.008   47.535  114.443   23.638  124.517   15.632 -10.07372 28.33909 
1 1 1    1   37   29 o  122.730   12.520  199.323   37.833  201.432   62.927  198.129   47.346  116.671   22.413  120.170   16.190 -3.499306 27.64848 
1 1 1    1   37   30 o  193.720   13.768  499.979   66.172  471.758  106.961  517.478   84.224  176.305   24.994  193.299   17.643 -16.99345 30.59390 
1 1 1    1   37   31 o   74.375   14.791   76.283   26.503   62.458   46.048   83.132   32.409   65.797   22.882   76.503   17.362 -10.70653 28.72314 
1 1 1    1   37   32 o   70.014   17.801   70.308   31.193   0.0000   0.0000   70.308   31.193  ?   ?    70.014   17.801 0.000000 17.80135 
1 1 1    1   37   33 o  124.316   12.415  205.093   38.025  184.040   59.756  219.419   49.292  110.800   22.368  126.272   15.990 -15.47253 27.49554 
1 1 1    1   37   34 o   95.318   12.336  121.246   28.675  101.694   45.713  133.931   36.820   81.923   21.916   98.544   15.472 -16.62058 26.82750 
1 1 1    1   37   35 o   21.863   9.8163  -4.5768   11.150   0.0000   0.0000  -4.5768   11.150  ?   ?    21.863   9.8163 0.000000 9.816311 
1 1 1    1   38    0 o   39.740   18.677  -0.7351   47.324 -55.6698   57.814  110.826   82.388   35.808   17.693   59.110   26.599 -23.30258 31.94608 
1 1 1    1   38    1 o   51.036   21.797   48.013   49.172   56.256   61.563   33.489   81.723   52.900   23.451   50.223   23.882 2.676846 33.47059 
1 1 1    1   38    2 o   65.258   19.131   75.161   33.194  112.573   64.578   61.727   38.697   67.342   26.387   57.262   20.861 10.08068 33.63675 
1 1 1    1   38    3 o   39.628   16.632   16.122   27.801  -3.9185   58.572   21.949   31.586   43.989   20.706   42.752   17.819 1.237125 27.31800 
1 1 1    1   38    4 o   49.121   18.461   37.621   30.724 -16.3864   61.393   55.666   35.487   43.516   20.694   56.728   20.061 -13.21155 28.82158 
1 1 1    1   38    5 o   47.410   19.250   30.565   35.615   0.0000   0.0000   30.565   35.615  ?   ?    47.410   19.250 0.000000 19.25049 
1 1 1    1   38    6 o   35.103   15.280   4.2891   25.061   37.415   57.883  -3.3536   27.803   53.251   23.199   34.238   15.425 19.01352 27.85949 
1 1 1    1   38    7 o   32.113   14.370  -3.0869   23.682   17.468   56.035  -7.5569   26.131   49.329   22.087   32.315   14.715 17.01390 26.54009 
1 1 1    1   38    8 o   88.619   16.257  116.814   34.651   73.706   70.987  130.298   39.703   63.780   26.659   92.182   17.893 -28.40253 32.10698 
1 1 1    1   38    9 f   67.795   27.171   86.537   69.957   0.0000   0.0000   86.537   69.957  ?   ?    67.795   27.171 0.000000 27.17119 
1 1 1    1   38   10 o   59.413   17.388   53.523   27.441   42.392   58.887   56.611   31.015   57.009   24.081   60.482   18.666 -3.472931 30.46816 
1 1 1    1   38   11 o   26.430   12.461 -19.3336   21.375   0.0000   0.0000 -19.3336   21.375  ?   ?    26.430   12.461 0.000000 12.46143 
1 1 1    1   38   12 o   66.856   17.655   67.087   29.913 -87.1854   63.925  110.338   33.847   39.086   19.173   87.417   16.098 -48.33065 25.03501 
1 1 1    1   38   13 o   59.931   17.561   53.290   27.976   30.263   62.865   58.976   31.240   56.399   24.374   62.531   18.619 -6.131626 30.67173 
1 1 1    1   38   14 o  135.454   19.486  272.365   64.013   0.0000   0.0000  272.365   64.013  ?   ?   135.454   19.486 0.000000 19.48554 
1 1 1    1   38   15 o   68.723   16.788   68.692   28.564  -9.1879   60.753   90.794   32.365   48.759   22.294   79.212   16.878 -30.45249 27.96256 
1 1 1    1   38   16 o   63.790   16.430   58.745   26.331   85.759   59.819   52.254   29.324   72.395   25.998   59.764   18.095 12.63092 31.67488 
1 1 1    1   38   17 o  115.602   13.855  182.141   39.201  113.314   74.229  208.761   46.163   80.413   28.951  122.683   15.408 -42.26976 32.79618 
1 1 1    1   38   18 f   64.508   22.861   61.987   46.108   36.306   59.382  100.978   73.168   58.555   24.421   77.284   28.598 -18.72869 37.60636 
1 1 1    1   38   19 o  120.885   13.753  198.032   40.778  142.269   73.774  222.564   48.932   90.267   28.919  126.696   15.810 -36.42918 32.95863 
1 1 1    1   38   20 f   62.057   16.483   55.030   25.975  147.128   57.813   31.738   29.074   96.593   24.058   49.800   18.091 46.79337 30.10121 
1 1 1    1   38   21 o   71.945   15.887   73.099   27.780   73.963   58.193   72.844   31.615   69.684   25.552   70.880   17.867 -1.195900 31.17854 
1 1 1    1   38   22 o  128.595   13.615  222.851   43.058  150.931   76.409  256.316   52.121   93.180   29.387  136.514   15.568 -43.33420 33.25543 
1 1 1    1   38   23 o   96.638   14.409  127.734   33.710  132.700   66.645  126.027   39.078   89.196   27.335   94.298   17.230 -5.102135 32.31227 
1 1 1    1   38   24 o   81.653   18.794   97.178   37.527   0.0000   0.0000   97.178   37.527  ?   ?    81.653   18.794 0.000000 18.79402 
1 1 1    1   38   25 o  104.509   14.394  148.996   36.568   85.610   65.277  177.986   44.145   73.727   27.058  113.251   16.060 -39.52410 31.46472 
1 1 1    1   38   26 o  127.012   12.864  215.702   40.237  232.025   70.312  207.754   49.065  122.797   23.789  122.118   16.513 0.6793213 28.95817 
1 1 1    1   38   27 o  146.175   13.343  286.617   48.169  255.004   80.901  303.979   59.955  125.871   26.572  147.949   16.509 -22.07790 31.28333 
1 1 1    1   38   28 o  126.533   19.860  232.916   60.685  228.843   70.035  245.189  121.571  121.680   23.901  108.164   37.204 13.51600 44.21999 
1 1 1    1   38   29 f   59.559   15.770   50.244   23.825   98.519   45.935   32.478   27.866   80.002   22.207   49.898   17.762 30.10392 28.43674 
1 1 1    1   38   30 o   50.919   15.770   35.983   22.115   41.213   43.570   34.168   25.668   56.841   21.838   50.298   17.099 6.542267 27.73543 
1 1 1    1   38   31 o   92.741   14.243  117.910   31.932  107.201   53.181  123.947   39.931   81.963   24.267   92.897   17.862 -10.93389 30.13214 
1 1 1    1   38   32 o   32.885   13.359   7.4657   17.159   61.107   36.149  -8.1357   19.495   64.219   20.207   28.400   12.845 35.81876 23.94403 
1 1 1    1   38   33 o   82.260   18.158   98.434   36.302   0.0000   0.0000   98.434   36.302  ?   ?    82.260   18.158 0.000000 18.15836 
1 1 1    1   38   34 o   82.170   16.571   96.194   32.830   0.0000   0.0000   96.194   32.830  ?   ?    82.170   16.571 0.000000 16.57128 
1 1 1    1   38   35 o  103.902   41.293  284.120  160.221   0.0000   0.0000  284.120  160.221  ?   ?   103.902   41.293 0.000000 41.29278 
1 1 1    1   39    0 o   34.245   16.802 -30.6672   49.171 -31.3269   60.893 -29.4312   83.356   36.798   18.178   40.190   20.084 -3.391052 27.08883 
1 1 1    1   39    1 o   48.555   21.547   51.609   52.104   48.281   66.765   56.795   83.330   47.760   22.362   48.756   23.434 -0.9960785 32.39125 
1 1 1    1   39    2 o   38.570   18.474 -10.5749   50.804 -39.0994   66.119   30.537   79.379   38.809   19.127   47.401   22.805 -8.591698 29.76412 
1 1 1    1   39    3 o   52.834   22.361   58.734   50.936   25.846   66.290  106.139   79.587   47.085   22.121   59.242   26.438 -12.15740 34.47197 
1 1 1    1   39    4 o   62.034   19.480   70.587   33.612   8.1594   67.582   91.103   38.744   45.853   21.779   69.211   20.764 -23.35780 30.09051 
1 1 1    1   39    5 o   42.068   17.354   22.604   29.523   26.387   63.625   21.565   33.328   48.831   22.506   42.592   18.060 6.239353 28.85632 
1 1 1    1   39    6 o   31.767   14.523  -6.1226   25.772 -33.1106   60.362  -0.1059   28.501   40.596   19.619   34.797   15.653 5.799198 25.09818 
1 1 1    1   39    7 o   39.393   17.199   9.9630   31.965   0.0000   0.0000   9.9630   31.965  ?   ?    39.393   17.199 0.000000 17.19889 
1 1 1    1   39    8 o   60.291   18.451   59.983   30.377   34.857   68.919   66.041   33.842   53.243   24.109   62.341   19.541 -9.097591 31.03401 
1 1 1    1   39    9 o   43.581   16.963   24.880   26.550 -53.6786   57.905   45.793   29.876   38.629   18.796   53.585   18.442 -14.95616 26.33262 
1 1 1    1   39   10 o   50.158   18.492   37.761   30.540   0.0000   0.0000   37.761   30.540  ?   ?    50.158   18.492 0.000000 18.49228 
1 1 1    1   39   11 o   36.940   17.478 -26.3980   42.721 -18.1879   58.604 -35.7094   62.410   44.049   20.728   42.837   20.507 1.211742 29.15741 
1 1 1    1   39   12 o   47.934   16.978   33.047   25.429   85.926   62.842   22.693   27.808   67.350   26.129   43.640   17.247 23.70995 31.30808 
1 1 1    1   39   13 o   52.314   17.445   40.930   26.715 -32.7075   62.241   57.560   29.578   43.783   20.826   60.869   18.115 -17.08640 27.60218 
1 1 1    1   39   14 o   57.497   17.377   50.132   27.062   59.845   63.519   47.977   29.913   61.563   25.431   56.085   18.448 5.478085 31.41797 
1 1 1    1   39   15 o   47.992   17.534   31.485   27.366 -135.7724   64.471   68.243   30.224   34.907   17.477   66.928   17.782 -32.02126 24.93229 
1 1 1    1   39   16 o   41.813   16.743   17.857   26.538   0.0000   0.0000   17.857   26.538  ?   ?    41.813   16.743 0.000000 16.74311 
1 1 1    1   39   17 o   49.171   16.801   34.038   24.784   6.8101   59.315   39.797   27.279   50.227   22.589   52.423   17.628 -2.195457 28.65326 
1 1 1    1   39   18 o   65.588   16.970   63.738   28.007   68.905   63.343   62.482   31.225   65.587   25.996   64.184   18.480 1.403374 31.89520 
1 1 1    1   39   19 o   36.094   14.887   9.0984   21.718   17.072   53.601   7.5322   23.755   51.137   22.300   36.599   15.368 14.53840 27.08292 
1 1 1    1   39   20 o  116.115   21.425  208.460   59.834  201.314   76.042  220.077   96.954  106.004   28.225  103.112   33.165 2.891792 43.54913 
1 1 1    1   39   21 o   92.146   15.320  119.869   34.014   89.949   66.237  130.585   39.640   72.421   27.128   94.746   17.395 -22.32491 32.22615 
1 1 1    1   39   22 o   34.871   14.645   6.0772   21.579 -19.0166   54.123   10.820   23.529   44.505   20.598   37.928   15.552 6.576962 25.80935 
1 1 1    1   39   23 o  136.429   13.836  254.740   46.485  164.544   80.651  299.609   56.884   93.201   30.275  146.123   15.843 -52.92173 34.16951 
1 1 1    1   39   24 o   72.780   16.338   76.442   28.965   38.665   58.661   88.622   33.309   58.128   24.260   77.742   17.571 -19.61425 29.95480 
1 1 1    1   39   25 o  133.744   18.856  261.755   61.229   0.0000   0.0000  261.755   61.229  ?   ?   133.744   18.856 0.000000 18.85611 
1 1 1    1   39   26 o   38.131   15.115   13.571   21.415  -2.4343   50.066   17.155   23.692   46.244   20.779   40.853   15.989 5.391518 26.21917 
1 1 1    1   39   27 o  188.910   13.248  482.434   62.100  435.225  102.823  509.542   77.915  163.028   26.140  190.171   16.573 -27.14226 30.95071 
1 1 1    1   39   28 o   81.356   15.380   93.510   30.101   73.615   56.320  101.466   35.615   68.128   25.113   83.367   17.657 -15.23954 30.69930 
1 1 1    1   39   29 o   93.321   15.309  122.225   34.438   65.860   59.326  150.872   42.293   65.834   25.431  102.540   17.121 -36.70621 30.65667 
1 1 1    1   39   30 o   80.742   23.188  104.960   49.216  105.233   53.290  103.379  128.343   79.891   24.437   76.666   33.929 3.225121 41.81334 
1 1 1    1   39   31 o   67.880   16.043   66.347   26.765   33.904   47.257   81.669   32.476   54.443   22.149   74.507   17.714 -20.06426 28.36113 
1 1 1    1   39   32 o   27.294   12.167  -4.4425   16.801   13.888   37.292  -9.1108   18.820   45.282   19.147   27.391   12.479 17.89088 22.85459 
1 1 1    1   39   33 o   31.968   13.779   1.3989   19.983   0.0000   0.0000   1.3989   19.983  ?   ?    31.968   13.779 0.000000 13.77896 
1 1 1    1   40    2 o   57.704   24.137  110.215   58.249  106.260   75.439  116.056   91.666   52.061   24.173   50.781   24.450 1.279953 34.38246 
1 1 1    1   40    3 o   37.709   18.261  -9.9111   52.973 -39.6694   68.192   35.371   84.119   37.611   18.694   45.448   22.231 -7.836948 29.04590 
1 1 1    1   40    4 o   53.794   23.063   75.389   55.425   91.808   74.309   54.801   83.210   54.064   24.695   48.782   23.438 5.281647 34.04701 
1 1 1    1   40    5 f   34.005   15.507   0.8648   29.152 -69.9870   67.579   17.063   32.313   36.634   18.272   39.412   17.247 -2.778374 25.12677 
1 1 1    1   40    6 o   26.488   12.832 -28.8872   26.224 -70.3302   63.109 -20.2379   28.831   36.079   17.940   29.522   14.079 6.556282 22.80521 
1 1 1    1   40    7 o   38.638   16.607   14.597   28.866   15.602   65.801   14.358   32.121   46.469   21.896   39.538   17.252 6.931000 27.87589 
1 1 1    1   40    8 o   38.251   17.100   6.7450   33.445   0.0000   0.0000   6.7450   33.445  ?   ?    38.251   17.100 0.000000 17.09959 
1 1 1    1   40    9 f   93.048   19.519  147.408   43.906   0.0000   0.0000  147.408   43.906  ?   ?    93.048   19.519 0.000000 19.51870 
1 1 1    1   40   10 o   49.112   21.536   30.843   50.611 -83.7617   68.632  167.448   74.930   38.241   18.964   81.638   29.120 -43.39719 34.75040 
1 1 1    1   40   11 o   57.159   18.584   54.373   30.386   68.170   70.248   51.197   33.702   59.047   25.642   55.136   19.544 3.911320 32.24071 
1 1 1    1   40   12 o   63.458   23.740   77.212   50.693   16.103   70.622  142.162   72.808   50.692   23.485   77.824   28.574 -27.13194 36.98668 
1 1 1    1   40   13 f   39.599   16.353   15.363   26.251 -15.2065   64.676   21.392   28.723   45.455   21.506   42.758   17.314 2.696796 27.60962 
1 1 1    1   40   14 o   75.204   18.289   89.934   34.016   4.5669   73.213  113.435   38.414   50.475   23.562   84.380   18.720 -33.90571 30.09341 
1 1 1    1   40   15 o   87.706   16.937  116.817   35.751   1.4969   72.887  153.351   41.025   50.398   23.521  100.797   16.896 -50.39976 28.96037 
1 1 1    1   40   16 o   90.867   16.537  123.550   36.141   63.320   71.403  144.296   41.906   61.347   26.236   96.950   17.971 -35.60322 31.80029 
1 1 1    1   40   17 o   33.235   14.794  -2.1976   24.752   0.0000   0.0000  -2.1976   24.752  ?   ?    33.235   14.794 0.000000 14.79449 
1 1 1    1   40   18 o   60.925   18.325   57.893   30.149   4.8943   65.568   72.103   33.950   50.272   23.050   67.310   19.237 -17.03810 30.02254 
1 1 1    1   40   19 o   27.873   12.755  -9.3736   19.940   3.9903   54.824 -11.4109   21.406   47.493   21.504   28.388   13.073 19.10445 25.16593 
1 1 1    1   40   20 o  105.604   14.912  159.079   38.230  138.240   73.629  166.771   44.733   82.600   28.922  105.760   17.553 -23.16042 33.83196 
1 1 1    1   40   21 o   29.509   13.354  -7.1258   21.106 -38.8289   55.556  -1.7781   22.817   41.061   19.571   32.404   14.325 8.657150 24.25367 
1 1 1    1   40   22 o   41.963   19.256 -10.6688   45.885 -17.2267   52.467   10.663   94.626   43.306   20.125   57.807   26.918 -14.50113 33.60976 
1 1 1    1   40   23 o   69.059   17.163   71.428   29.468   71.298   60.431   71.469   33.753   65.367   25.550   67.843   19.109 -2.475975 31.90506 
1 1 1    1   40   24 o   76.418   17.090   86.729   31.795   84.122   62.829   87.627   36.864   69.266   26.315   75.057   19.494 -5.790771 32.74900 
1 1 1    1   40   25 o  151.174   14.177  317.684   52.894  267.369   88.998  345.164   65.771  118.755   30.001  153.776   17.436 -35.02070 34.69930 
1 1 1    1   40   26 o   25.127   11.698 -13.4500   17.860   3.4459   51.830 -15.7265   19.025   47.263   21.196   25.487   11.934 21.77612 24.32512 
1 1 1    1   40   27 f   48.342   17.753   31.285   28.106   0.0000   0.0000   31.285   28.106  ?   ?    48.342   17.753 0.000000 17.75275 
1 1 1    1   40   28 o   88.398   15.793  112.325   33.582   92.998   62.057  120.329   39.935   72.447   26.413   89.463   18.487 -17.01603 32.24007 
1 1 1    1   40   29 o  177.010   13.973  432.955   61.262  375.639  100.276  467.086   77.381  144.599   28.782  179.108   17.525 -34.50966 33.69826 
1 1 1    1   40   30 o   81.875   16.374   97.686   32.308   14.524   55.364  140.630   39.785   50.682   22.364   98.261   16.819 -47.57945 27.98266 
1 1 1    1   40   31 f   63.488   22.866   64.591   46.306   62.853   48.873   79.843  144.779   62.863   23.351   70.881   33.103 -8.017879 40.51030 
1 1 1    1   40   32 o   31.110   13.721  -1.9070   20.815   0.0000   0.0000  -1.9070   20.815  ?   ?    31.110   13.721 0.000000 13.72120 
1 1 1    1   40   33 o   76.388   35.718  144.212  169.361   0.0000   0.0000  144.212  169.361  ?   ?    76.388   35.718 0.000000 35.71779 
1 1 1    1   41    6 o   39.195   18.800   1.8657   53.037 -21.1021   70.438   31.934   80.594   39.433   19.492   44.976   21.948 -5.543636 29.35427 
1 1 1    1   41    7 o   44.794   18.852   35.997   35.881   0.0000   0.0000   35.997   35.881  ?   ?    44.794   18.852 0.000000 18.85227 
1 1 1    1   41    8 o   45.216   18.966   35.025   36.121   0.0000   0.0000   35.025   36.121  ?   ?    45.216   18.966 0.000000 18.96640 
1 1 1    1   41    9 o   39.662   18.896  -7.4735   51.669  -7.3184   68.215  -7.6821   79.137   42.874   20.753   44.361   21.670 -1.487148 30.00425 
1 1 1    1   41   10 o   67.770   22.755   97.795   45.451   0.0000   0.0000   97.795   45.451  ?   ?    67.770   22.755 0.000000 22.75497 
1 1 1    1   41   11 o   33.255   15.019  -0.5243   26.544  -1.2661   66.938  -0.3859   28.914   44.740   21.368   34.387   15.589 10.35299 26.45040 
1 1 1    1   41   12 o   47.327   18.038   35.825   29.580   65.457   71.270   29.658   32.513   55.872   24.971   45.164   18.372 10.70763 31.00113 
1 1 1    1   41   13 o  101.027   16.190  158.959   39.465  173.748   82.071  154.510   45.011   78.409   30.007   95.340   19.561 -16.93104 35.82024 
1 1 1    1   41   14 o   69.912   24.875  103.791   54.643  156.234   73.586   39.324   81.586   78.858   28.760   53.812   25.037 25.04597 38.13144 
1 1 1    1   41   15 o   52.135   18.111   44.030   28.843   65.464   66.447   39.054   32.016   58.295   25.126   49.821   18.819 8.473877 31.39248 
1 1 1    1   41   16 f   46.892   17.523   32.523   27.603   33.269   64.606   32.356   30.530   52.387   23.566   47.173   18.237 5.214031 29.79844 
1 1 1    1   41   17 o   36.668   15.590   9.3008   24.947 -46.6393   64.125   19.277   27.080   41.244   20.001   41.292   16.779 -0.4879379E-01 26.10700 
1 1 1    1   41   18 o   25.523   12.103 -19.2849   20.711 -11.1397   62.672 -20.2834   21.943   45.549   21.434   26.215   12.439 19.33395 24.78183 
1 1 1    1   41   19 o   42.135   17.317   18.860   29.261   0.0000   0.0000   18.860   29.261  ?   ?    42.135   17.317 0.000000 17.31718 
1 1 1    1   41   20 o   59.754   18.300   56.995   29.876 -20.7131   64.798   77.974   33.668   45.274   21.451   69.458   18.905 -24.18386 28.59302 
1 1 1    1   41   21 o   57.831   18.365   52.968   29.802 -20.6289   64.108   73.258   33.660   45.289   21.423   67.267   19.130 -21.97766 28.72108 
1 1 1    1   41   22 o   52.824   17.838   42.656   27.934 -39.6117   62.993   62.793   31.165   42.666   20.472   62.794   18.574 -20.12738 27.64186 
1 1 1    1   41   23 o   47.715   21.327   12.041   52.000   15.384   59.350   0.9970  107.880   50.193   22.582   56.536   27.037 -6.343853 35.22728 
1 1 1    1   41   24 o   91.507   16.109  123.793   35.466  124.968   68.439  123.361   41.469   78.144   27.835   88.354   19.332 -10.21009 33.88967 
1 1 1    1   41   25 f  109.637   15.556  174.798   41.395  137.366   74.856  191.287   49.682   80.371   29.054  111.730   18.451 -31.35943 34.41739 
1 1 1    1   41   26 o   52.219   17.475   40.910   26.804   24.648   57.834   45.358   30.248   52.047   22.918   54.433   18.562 -2.385250 29.49184 
1 1 1    1   41   27 o   32.851   14.204   2.6586   21.369   4.9324   53.535   2.2277   23.306   47.021   21.274   33.870   14.739 13.15155 25.88069 
1 1 1    1   41   28 o  131.905   19.806  271.874   63.224   0.0000   0.0000  271.874   63.224  ?   ?   131.905   19.806 0.000000 19.80610 
1 1 1    1   41   29 o   70.550   17.467   76.303   30.609   64.905   58.686   80.563   35.875   62.025   24.877   70.839   19.611 -8.813778 31.67727 
1 1 1    1   41   30 o   82.076   16.666  100.828   32.991   21.370   57.568  139.686   40.258   51.322   22.718   96.298   17.381 -44.97555 28.60413 
1 1 1    1   41   31 o   31.014   13.833  -3.2425   21.751   0.0000   0.0000  -3.2425   21.751  ?   ?    31.014   13.833 0.000000 13.83268 
1 1 1    1   41   32 o   63.242   31.006   20.521  166.523   0.0000   0.0000   20.521  166.523  ?   ?    63.242   31.006 0.000000 31.00629 
1 1 1    1   42    9 o   26.214   12.800 -30.1325   27.530 -123.3685   71.119 -13.6988   29.858   32.662   16.588   30.153   14.365 2.509974 21.94329 
1 1 1    1   42   10 o   57.932   20.052   71.400   35.343   22.853   80.706   82.919   39.313   44.794   21.882   60.792   21.142 -15.99741 30.42713 
1 1 1    1   42   11 o   28.932   13.752 -16.0060   27.047 -24.4300   75.564 -14.7681   28.966   41.078   20.284   30.130   14.295 10.94765 24.81512 
1 1 1    1   42   12 o   34.016   15.631  -1.0249   30.382   0.0000   0.0000  -1.0249   30.382  ?   ?    34.016   15.631 0.000000 15.63127 
1 1 1    1   42   13 o   51.374   19.063   49.185   32.554 -30.7565   76.694   66.753   35.953   42.046   20.699   58.078   20.218 -16.03197 28.93445 
1 1 1    1   42   14 o   37.553   16.222   12.946   27.819   54.270   66.372   4.1395   30.640   51.922   23.570   35.974   16.202 15.94752 28.60109 
1 1 1    1   42   15 f   32.772   14.926  -2.6949   26.899 -46.9432   68.824   5.2831   29.224   40.112   19.720   35.985   16.043 4.127522 25.42158 
1 1 1    1   42   16 o   43.335   20.209   4.7681   53.649   2.2480   67.856   8.9698   87.618   45.645   21.721   48.960   23.655 -3.315094 32.11522 
1 1 1    1   42   17 o   36.511   15.760   9.6064   26.216 -10.8574   65.536   13.505   28.605   44.023   21.058   38.706   16.581 5.316227 26.80241 
1 1 1    1   42   18 o   75.489   19.278   98.053   36.468 -17.1805   74.856  133.913   41.759   45.494   21.952   88.759   19.383 -43.26513 29.28484 
1 1 1    1   42   19 o   47.667   17.833   35.360   28.606   21.101   69.379   38.281   31.399   49.799   23.143   49.058   18.611 0.7412834 29.69786 
1 1 1    1   42   20 o   92.262   19.325  141.926   43.097   62.679   84.100  170.148   50.188   57.521   26.273   99.085   20.939 -41.56366 33.59627 
1 1 1    1   42   21 o   48.761   18.065   36.893   29.214   17.836   72.030   40.644   31.960   50.419   23.480   50.500   18.858 -0.8124924E-01 30.11586 
1 1 1    1   42   22 o   69.227   18.558   79.217   32.737  -8.0467   68.355  105.192   37.293   46.495   22.031   79.786   18.991 -33.29144 29.08637 
1 1 1    1   42   23 o   91.964   17.437  132.696   38.580   15.104   72.589  178.989   45.545   50.654   23.584  106.763   17.703 -56.10889 29.48914 
1 1 1    1   42   24 o   64.105   18.463   67.515   31.163   87.966   66.344   61.726   35.299   64.563   26.252   60.074   20.054 4.488995 33.03505 
1 1 1    1   42   25 o   50.530   22.210   29.580   54.100  -6.2414   59.532  199.434  129.633   45.160   21.135   75.235   33.647 -30.07499 39.73422 
1 1 1    1   42   26 o   33.510   14.599   3.2862   22.919 -11.9523   56.652   6.2684   25.062   43.593   20.470   35.676   15.404 7.916801 25.61871 
1 1 1    1   42   27 f   51.349   17.659   41.120   27.388   46.629   59.167   39.618   30.898   55.155   23.742   50.651   18.611 4.504368 30.16708 
1 1 1    1   42   28 o   60.920   17.878   59.701   28.975   86.724   60.115   51.524   33.070   65.561   25.522   56.006   19.396 9.555370 32.05599 
1 1 1    1   42   29 o   55.604   17.860   49.420   28.123   28.460   58.367   55.757   32.095   51.191   22.757   58.144   19.108 -6.952518 29.71545 
1 1 1    1   42   30 o   52.770   18.946   44.341   31.766   0.0000   0.0000   44.341   31.766  ?   ?    52.770   18.946 0.000000 18.94553 
1 1 1    1   42   31 o   63.278   31.004   88.327  165.662   0.0000   0.0000   88.327  165.662  ?   ?    63.278   31.004 0.000000 31.00390 
1 1 1    1   43   15 o   62.198   20.394   80.747   36.568   20.346   77.989   97.769   41.401   45.124   21.923   66.683   21.692 -21.55927 30.84131 
1 1 1    1   43   16 o   36.273   16.067   10.226   28.841 -82.7629   71.383   28.368   31.529   36.325   18.216   42.602   17.784 -6.276718 25.45742 
1 1 1    1   43   17 o   49.843   22.451   50.753   58.860   71.071   73.309   13.892   98.743   52.858   24.286   47.357   23.347 5.500801 33.68834 
1 1 1    1   43   18 o   28.929   13.683 -15.6589   26.146 -16.1956   70.615 -15.5736   28.147   42.411   20.663   30.017   14.198 12.39441 25.07037 
1 1 1    1   43   19 o   33.491   15.087   1.3984   26.588   41.807   69.002  -5.6474   28.813   49.787   23.118   32.689   15.094 17.09809 27.60923 
1 1 1    1   43   20 o   63.656   19.212   74.033   33.095  107.453   73.449   65.519   37.072   61.689   26.501   58.074   20.507 3.614986 33.50907 
1 1 1    1   43   21 o   67.872   19.277   82.923   34.201   56.220   74.191   90.129   38.541   53.139   24.421   68.880   20.720 -15.74112 32.02662 
1 1 1    1   43   22 o   40.045   17.218   16.284   31.054   0.0000   0.0000   16.284   31.054  ?   ?    40.045   17.218 0.000000 17.21818 
1 1 1    1   43   23 o   23.236   11.292 -28.1424   20.722 -74.4404   61.444 -22.2006   22.012   36.145   17.927   25.347   12.146 10.79792 21.65405 
1 1 1    1   43   24 o   65.884   19.313   77.000   33.829   41.117   70.612   87.689   38.540   51.770   23.804   68.680   20.733 -16.91051 31.56730 
1 1 1    1   43   25 o   48.893   18.086   39.148   29.258   5.2801   66.759   47.200   32.550   46.329   21.899   52.276   19.119 -5.946568 29.07008 
1 1 1    1   43   26 o   50.045   22.357   35.528   57.073   6.5084   62.431  183.145  140.807   45.878   21.526   65.477   31.195 -19.59916 37.90086 
1 1 1    2  -38    0 o   35.937   17.396 -19.8826   47.959 -34.4664   67.222  -4.7643   68.443   38.626   19.084   41.581   20.277 -2.955040 27.84500 
1 1 1    2  -37    0 o   48.390   21.004   37.589   47.096   40.423   65.092   34.475   68.227   50.208   23.001   49.487   22.982 0.7213707 32.51436 
1 1 1    2  -37    1 o   54.890   22.736   67.455   50.963  109.674   72.952   27.213   71.224   60.708   26.246   47.453   22.486 13.25470 34.56140 
1 1 1    2  -36    0 o   34.051   16.360 -33.1329   40.530 -68.9113   55.487   7.7938   59.345   35.625   17.551   46.591   21.565 -10.96667 27.80471 
1 1 1    2  -36    1 o   40.773   19.136  -8.5123   49.400   22.787   68.379 -42.6831   71.446   49.574   23.017   42.264   20.633 7.309769 30.91149 
1 1 1    2  -36    2 o   35.441   17.077 -30.3118   44.916 -23.3420   63.222 -37.4150   63.825   41.648   20.115   40.251   19.618 1.396736 28.09781 
1 1 1    2  -36    3 o   40.739   19.146  -0.6881   49.731 -35.5709   69.339   36.263   71.365   40.841   20.020   49.351   23.111 -8.510490 30.57639 
1 1 1    2  -35    0 f   72.903   17.620   82.881   31.722  112.481   35.319 -40.6275   72.145   85.862   17.073   44.934   21.649 40.92815 27.57130 
1 1 1    2  -35    1 o   66.408   17.575   70.020   29.600   67.990   32.749   79.078   69.178   64.196   19.052   63.022   26.328 1.174377 32.49805 
1 1 1    2  -35    2 o   39.994   18.561  -8.2299   44.392   1.7518   60.789 -19.6356   64.980   46.348   21.580   44.342   21.144 2.006016 30.21181 
1 1 1    2  -35    3 f   52.143   21.989   43.962   48.976   53.466   68.846   34.224   69.686   55.291   24.639   52.041   23.825 3.249428 34.27380 
1 1 1    2  -35    4 o   39.257   18.508 -11.5962   47.132 -43.8136   68.405   17.522   65.032   41.042   20.069   47.768   22.268 -6.726505 29.97712 
1 1 1    2  -34    0 o   58.655   17.553   51.757   27.714   71.640   30.377 -46.9981   67.698   68.891   17.595   44.473   21.308 24.41818 27.63310 
1 1 1    2  -34    1 o   75.900   15.913   84.894   29.196   71.384   32.312  144.989   68.149   67.610   18.569   85.968   27.821 -18.35829 33.44913 
1 1 1    2  -34    2 o   40.212   16.159   17.084   24.814   30.251   26.999 -54.5264   62.965   46.712   17.355   40.984   19.862 5.728386 26.37608 
1 1 1    2  -34    3 o   34.335   16.544 -40.2962   42.155 -13.1269   59.871 -67.0074   59.364   44.795   21.038   37.971   18.595 6.824062 28.07747 
1 1 1    2  -34    4 o   61.258   23.210   69.648   48.795   78.433   70.113   61.397   67.952   62.176   26.270   58.536   25.319 3.639660 36.48523 
1 1 1    2  -34    5 f   52.141   21.896   42.884   48.226   54.269   69.731   32.446   66.768   55.956   24.874   51.853   23.577 4.102901 34.27288 
1 1 1    2  -34    6 o   53.507   22.387   51.490   50.124  100.569   73.386   8.5720   68.625   63.397   26.836   47.386   22.338 16.01107 34.91645 
1 1 1    2  -33    0 o  206.867   12.690  571.917   65.237  614.808   77.628  468.797  120.366  212.103   14.748  164.245   30.469 47.85797 33.85025 
1 1 1    2  -33    1 f   88.091   20.156  118.303   43.379  118.303   43.379   0.0000   0.0000   88.091   20.156  ?   ?  0.000000 20.15594 
1 1 1    2  -33    2 o   52.267   17.203   39.487   26.009   40.847   28.534   32.805   63.240   53.102   18.029   56.598   24.453 -3.496544 30.38081 
1 1 1    2  -33    3 o  126.520   13.341  221.868   41.514  250.885   48.297  139.769   81.239  133.157   14.774   81.518   30.140 51.63915 33.56602 
1 1 1    2  -33    4 o   66.115   17.651   67.619   29.689   72.538   33.159   47.737   66.666   67.596   18.905   58.237   25.134 9.359020 31.45037 
1 1 1    2  -33    5 o   69.113   23.230   86.656   47.371   66.497   68.366  105.273   65.700   61.237   25.911   71.433   26.964 -10.19567 37.39584 
1 1 1    2  -33    6 o   45.539   20.072   16.005   44.467   4.4979   65.253   25.983   60.760   48.307   22.448   51.102   22.932 -2.794899 32.08984 
1 1 1    2  -33    7 o   62.229   25.970   82.351   67.216   0.0000   0.0000   82.351   67.216  ?   ?    62.229   25.970 0.000000 25.97024 
1 1 1    2  -33    8 o   48.042   22.733   7.4978   72.305   7.4978   72.305   0.0000   0.0000   48.042   22.733  ?   ?  0.000000 22.73322 
1 1 1    2  -32    0 o   76.916   15.445   81.702   28.635   89.014   32.021   52.508   63.985   79.825   16.605   65.496   26.074 14.32903 30.91234 
1 1 1    2  -32    1 o   68.423   16.462   66.244   27.785   70.127   30.984   50.297   62.786   69.902   17.725   63.916   25.697 5.986820 31.21695 
1 1 1    2  -32    2 o   72.980   18.061   77.571   32.736   77.571   32.736   0.0000   0.0000   72.980   18.061  ?   ?  0.000000 18.06066 
1 1 1    2  -32    3 o  105.050   16.961  157.607   42.978  199.695   52.036   67.280   76.232  117.248   18.376   67.740   27.909 49.50788 33.41566 
1 1 1    2  -32    4 o   60.046   17.315   53.394   27.393   61.996   30.569   18.334   61.717   64.200   18.221   53.580   23.629 10.61993 29.83872 
1 1 1    2  -32    5 o  108.543   13.791  164.270   36.536  191.408   42.414   86.202   71.938  116.229   14.960   69.154   27.610 47.07464 31.40303 
1 1 1    2  -32    6 o  100.970   14.762  146.046   36.122  141.155   41.752  160.604   72.028   96.354   18.014   89.216   28.574 7.138000 33.77850 
1 1 1    2  -32    7 o   41.111   19.007 -10.1575   45.907   20.267   66.271 -38.2256   63.653   52.127   23.619   42.911   20.586 9.215851 31.33141 
1 1 1    2  -32    8 o   40.580   18.714  -6.8967   44.085   29.955   66.558 -35.7001   58.842   52.923   23.853   41.155   19.757 11.76737 30.97234 
1 1 1    2  -32    9 o   45.342   20.098   16.593   45.200   9.0793   70.200   21.914   59.074   49.176   22.994   49.310   22.325 -0.1341743 32.04917 
1 1 1    2  -31    0 o   56.580   20.994   37.932   39.487   48.677   54.355   25.925   57.459   63.987   24.436   58.310   24.146 5.677116 34.35332 
1 1 1    2  -31    1 o  118.858   12.483  185.426   36.497  211.401   42.445  111.749   71.487  126.397   13.665   85.122   28.538 41.27561 31.64065 
1 1 1    2  -31    2 o  130.632   12.098  223.945   39.017  253.211   45.599  143.954   75.385  138.242   13.376   94.179   29.108 44.06367 32.03399 
1 1 1    2  -31    3 o  248.783   13.159  819.198   81.462  920.540   98.916  605.587  143.611  261.283   15.226  191.150   31.159 70.13326 34.68063 
1 1 1    2  -31    4 f   97.409   19.935  139.331   46.858  139.331   46.858   0.0000   0.0000   97.409   19.935  ?   ?  0.000000 19.93509 
1 1 1    2  -31    5 f   42.896   16.330   20.754   24.227   38.514   26.747 -60.4139   57.180   52.487   17.453   40.097   19.307 12.38989 26.02657 
1 1 1    2  -31    6 o   46.861   20.256   12.080   43.432  101.541   68.863 -47.0105   55.966   75.529   27.780   40.860   19.522 34.66933 33.95343 
1 1 1    2  -31    7 o   54.417   17.683   43.819   27.514   54.603   30.674  -0.5729   62.236   59.854   18.579   49.514   22.610 10.33939 29.26409 
1 1 1    2  -31    8 f   44.756   19.610   10.498   41.888   98.613   64.546 -53.6142   55.057   71.851   26.806   38.677   18.703 33.17360 32.68567 
1 1 1    2  -31    9 o   58.973   22.416   57.852   45.603   73.957   72.520   47.317   58.651   63.444   26.757   56.663   23.989 6.780464 35.93583 
1 1 1    2  -31   10 o   58.297   22.594   58.617   46.951   85.705   76.074   41.952   59.670   64.385   27.293   54.522   23.654 9.862263 36.11675 
1 1 1    2  -31   11 f   58.899   23.276   64.390   50.641  185.455   81.002 -13.2896   64.884   85.928   30.316   45.089   21.393 40.83898 37.10472 
1 1 1    2  -30    0 f  196.650   11.956  497.372   58.435  550.657   70.091  375.918  105.819  206.025   13.702  161.372   27.228 44.65227 30.48153 
1 1 1    2  -30    1 o   38.738   15.094   13.029   21.040   24.445   23.045 -44.1343   51.568   45.578   16.161   41.640   19.546 3.937565 25.36166 
1 1 1    2  -30    2 o  100.468   19.045  139.785   46.034  190.253   66.366   92.989   63.906  114.679   23.947   80.136   26.982 34.54308 36.07607 
1 1 1    2  -30    3 o   56.945   16.559   44.383   24.958   48.049   27.948   29.942   55.463   59.117   17.613   58.532   23.924 0.5858459 29.70781 
1 1 1    2  -30    4 o  107.004   12.963  151.612   33.933  153.811   39.372  145.259   66.908  106.689   15.208   96.558   26.801 10.13132 30.81531 
1 1 1    2  -30    5 o  133.785   25.908  275.905   83.427   0.0000   0.0000  275.905   83.427  ?   ?   133.785   25.908 0.000000 25.90789 
1 1 1    2  -30    6 o  144.730   19.595  301.081   68.999  301.081   68.999   0.0000   0.0000  144.730   19.595  ?   ?  0.000000 19.59523 
1 1 1    2  -30    7 o  155.230   11.798  319.740   45.392  327.816   54.099  300.531   83.434  155.263   14.107  137.234   25.277 18.02914 28.94751 
1 1 1    2  -30    8 o   74.090   16.926   80.200   30.630  119.550   35.735 -28.7856   59.470   91.392   16.253   44.875   21.041 46.51737 26.58732 
1 1 1    2  -30    9 o   30.574   13.815  -7.2140   22.495  -2.0935   25.047 -28.5721   51.154   33.836   14.981   41.127   19.357 -7.291061 24.47663 
1 1 1    2  -30   10 o   42.347   18.618   6.5259   38.041   15.780   61.465   0.7807   48.431   51.440   23.075   44.815   20.259 6.625076 30.70635 
1 1 1    2  -30   11 o   83.395   22.198  119.384   47.045  189.362   75.321   74.624   60.240   95.337   29.030   63.868   25.339 31.46826 38.53351 
1 1 1    2  -30   12 o   54.177   21.368   46.487   42.601  131.588   73.543   3.5094   52.263   76.019   28.564   45.243   20.683 30.77565 35.26566 
1 1 1    2  -29    0 o  206.234   11.762  544.028   60.326  591.610   72.616  438.040  108.376  214.223   13.645  177.619   25.136 36.60373 28.60073 
1 1 1    2  -29    1 o  218.841   11.884  613.550   64.701  614.250   78.032  612.010  115.743  217.664   14.438  212.094   22.181 5.569946 26.46632 
1 1 1    2  -29    2 o  228.840   12.221  672.988   69.587  721.144   84.293  569.944  123.304  235.627   14.395  201.694   25.019 33.93350 28.86407 
1 1 1    2  -29    3 o  131.933   16.373  231.550   52.783  262.467   76.457  203.397   72.959  136.645   23.239  118.679   25.386 17.96547 34.41637 
1 1 1    2  -29    4 o   77.152   25.345   84.698   56.466   0.0000   0.0000   84.698   56.466  ?   ?    77.152   25.345 0.000000 25.34521 
1 1 1    2  -29    5 o  155.261   14.195  317.965   54.427  317.965   54.427   0.0000   0.0000  155.261   14.195  ?   ?  0.000000 14.19489 
1 1 1    2  -29    6 o   24.745   11.712 -21.0861   19.218 -31.7632   20.936   36.073   48.441   23.880   11.544   57.897   22.801 -34.01660 25.55674 
1 1 1    2  -29    7 o  148.002   14.743  294.438   53.765  294.438   53.765   0.0000   0.0000  148.002   14.743  ?   ?  0.000000 14.74349 
1 1 1    2  -29    8 o  193.996   11.358  493.154   54.782  599.973   67.356  284.431   94.154  212.766   12.736  130.302   29.608 82.46373 32.23134 
1 1 1    2  -29    9 o   92.248   13.864  116.551   30.949  115.216   36.625  119.883   57.874   89.844   16.946   85.393   25.323 4.450851 30.47004 
1 1 1    2  -29   10 o   57.911   17.216   49.135   26.725   43.674   31.585   62.900   50.144   55.068   18.962   63.875   23.667 -8.807327 30.32624 
1 1 1    2  -29   11 f  158.219   16.079  358.104   62.644  589.545   97.596  195.934   81.695  196.432   20.183   99.495   30.219 96.93643 36.33969 
1 1 1    2  -29   12 o   41.217   18.332   2.3925   37.918   27.471   66.494  -9.6923   46.159   54.637   24.289   41.878   19.252 12.75883 30.99387 
1 1 1    2  -29   13 o   43.818   19.202   11.260   40.174   93.054   71.326 -26.7445   48.619   67.947   27.364   39.377   18.636 28.57029 33.10684 
1 1 1    2  -29   14 o   51.041   21.072   36.544   43.572   49.490   74.894   29.921   53.572   57.311   25.607   50.922   22.248 6.388390 33.92160 
1 1 1    2  -28    0 o  107.818   16.836  153.817   43.847  168.354   46.390   32.048  134.264  112.840   16.990   82.720   35.685 30.12083 39.52311 
1 1 1    2  -28    1 o  164.866   10.927  346.530   44.730  315.049   53.266  421.828   82.379  156.201   13.798  178.592   18.751 -22.39085 23.28067 
1 1 1    2  -28    2 o  165.754   11.448  351.310   47.097  344.036   56.356  368.154   85.757  163.089   13.973  165.143   21.291 -2.053665 25.46637 
1 1 1    2  -28    3 o  123.067   12.075  195.209   36.631  183.064   43.470  224.955   68.031  118.115   15.082  127.921   22.096 -9.805733 26.75245 
1 1 1    2  -28    4 o  190.182   14.259  469.754   67.226  469.754   67.226   0.0000   0.0000  190.182   14.259  ?   ?  0.000000 14.25907 
1 1 1    2  -28    5 o   66.603   21.624   59.803   41.148  -5.8748   61.727  112.328   55.202   53.410   23.589   88.477   24.259 -35.06680 33.83715 
1 1 1    2  -28    6 o  135.573   12.288  238.532   41.150  279.987   49.203  142.056   75.062  146.354   13.619   96.817   28.869 49.53631 31.91981 
1 1 1    2  -28    7 o  116.103   12.350  176.178   35.257  172.250   42.374  185.016   63.559  113.448   15.351  113.104   23.280 0.3440094 27.88553 
1 1 1    2  -28    8 o  105.061   12.644  145.602   32.507  117.525   38.632  213.703   60.164   92.063   17.442  122.985   20.298 -30.92241 26.76289 
1 1 1    2  -28    9 o  116.890   19.489  194.150   54.885  194.150   54.885   0.0000   0.0000  116.890   19.489  ?   ?  0.000000 19.48914 
1 1 1    2  -28   10 o   46.165   16.434   26.791   23.854   47.874   27.832 -31.5593   46.302   58.087   17.638   39.844   18.645 18.24278 25.66528 
1 1 1    2  -28   11 o  110.430   12.921  164.571   34.959  149.421   42.614  195.751   61.134  102.276   17.302  112.785   22.495 -10.50963 28.37912 
1 1 1    2  -28   12 o  187.958   11.977  473.000   55.922  571.368   69.217  288.095   94.898  204.650   13.622  124.547   30.707 80.10348 33.59252 
1 1 1    2  -28   13 o   52.599   20.421   37.339   38.408   79.430   67.955   17.582   46.557   67.651   26.890   48.614   20.993 19.03705 34.11408 
1 1 1    2  -28   14 o  113.930   19.255  200.778   52.830  274.672   86.062  156.095   66.923  118.993   29.185   89.918   27.360 29.07532 40.00404 
1 1 1    2  -28   15 o  168.770   16.856  425.683   70.088  598.357  110.724  310.241   90.534  184.461   24.654  123.864   29.662 60.59695 38.57003 
1 1 1    2  -27    0 o  262.520   11.658  874.556   76.428  925.461  102.424  810.603  114.802  268.069   15.365  249.066   18.592 19.00322 24.11921 
1 1 1    2  -27    1 o  129.619   12.542  215.776   40.089  225.628   42.078  118.890  131.956  132.470   12.883   97.959   37.903 34.51101 40.03222 
1 1 1    2  -27    2 o  164.077   17.980  353.974   72.463  353.974   72.463   0.0000   0.0000  164.077   17.980  ?   ?  0.000000 17.98002 
1 1 1    2  -27    3 o   93.823   13.059  114.481   29.767  129.003   34.576   72.887   58.516   99.309   14.359   74.976   25.810 24.33341 29.53536 
1 1 1    2  -27    4 f  201.608   11.228  518.324   56.305  423.876   67.212  740.582  103.105  180.740   15.028  237.747   17.489 -57.00706 23.05885 
1 1 1    2  -27    5 o  156.791   11.289  314.553   43.906  290.199   52.747  369.490   79.224  149.472   14.306  166.272   19.448 -16.79941 24.14301 
1 1 1    2  -27    6 o  141.001   11.498  255.341   40.132  273.647   48.693  216.569   70.864  145.220   13.585  124.360   23.684 20.85950 27.30357 
1 1 1    2  -27    7 o  140.834   11.339  255.089   39.539  293.954   48.380  176.928   68.609  150.580   12.993  110.768   25.352 39.81245 28.48756 
1 1 1    2  -27    8 o   34.968   14.514   5.1545   20.833   0.3272   24.147   19.207   41.200   35.387   15.198   50.887   20.689 -15.50017 25.67135 
1 1 1    2  -27    9 o  202.851   11.568  531.781   58.358  539.070   71.724  517.506  100.382  202.471   14.277  192.683   21.214 9.788040 25.57071 
1 1 1    2  -27   10 o  278.820   16.174  1043.32  112.129  1043.32  112.129   0.0000   0.0000  278.820   16.174  ?   ?  0.000000 16.17389 
1 1 1    2  -27   11 f   94.941   14.229  121.867   32.696  134.426   39.756   95.617   57.475   98.421   16.778   78.708   25.557 19.71262 30.57178 
1 1 1    2  -27   12 o  102.825   13.517  142.772   33.866  133.366   41.453  161.649   58.725   96.777   17.809  102.386   23.470 -5.608467 29.46187 
1 1 1    2  -27   13 o  136.781   11.863  249.177   40.119  246.787   49.497  253.753   68.497  133.613   15.100  128.946   22.066 4.666901 26.73737 
1 1 1    2  -27   14 o   53.337   20.425   37.965   38.041   39.399   67.778   37.305   45.963   59.273   25.460   54.655   21.982 4.618320 33.63686 
1 1 1    2  -27   15 o   42.417   18.454   7.8767   36.523  124.075   69.286 -36.8366   42.980   80.053   28.055   36.074   17.200 43.97913 32.90757 
1 1 1    2  -27   16 o   71.014   22.067   85.865   43.261   94.290   76.744   81.941   52.375   69.021   28.169   67.651   24.323 1.370972 37.21665 
1 1 1    2  -27   17 o  130.672   18.250  263.704   57.926  401.372   97.990  189.754   71.818  144.212   28.221   96.541   28.094 47.67030 39.82027 
1 1 1    2  -26    0 o  252.938   11.119  809.624   70.231  811.525   94.577  807.287  104.860  251.389   15.136  249.881   16.904 1.508102 22.69030 
1 1 1    2  -26    1 f  117.286   9.9110  174.860   28.756  114.420   34.648  308.651   51.550   93.352   15.400  155.101   13.442 -61.74945 20.44161 
1 1 1    2  -26    2 o  308.714   17.755  1237.67  136.303   0.0000   0.0000  1237.67  136.303  ?   ?   308.714   17.755 0.000000 17.75546 
1 1 1    2  -26    3 o  241.379   20.749  770.543  123.855  770.543  123.855   0.0000   0.0000  241.379   20.749  ?   ?  0.000000 20.74936 
1 1 1    2  -26    4 o  127.848   10.750  208.505   34.002  143.183   40.034  377.631   64.418  104.347   15.863  170.751   15.268 -66.40469 22.01760 
1 1 1    2  -26    5 o  117.979   11.343  178.355   33.007  180.042   39.624  174.530   59.661  117.856   13.720  112.984   21.937 4.872330 25.87380 
1 1 1    2  -26    6 o  315.501   13.498  1275.30  106.345  1295.72  130.219  1234.41  184.267  315.599   16.581  300.747   24.755 14.85184 29.79529 
1 1 1    2  -26    7 o   62.997   15.341   53.304   23.909   51.809   28.054   57.270   45.702   62.055   17.401   66.774   22.816 -4.718899 28.69381 
1 1 1    2  -26    8 o  245.006   15.635  782.945   95.162  783.567  137.772  782.378  131.600  238.970   23.387  239.817   22.227 -0.8470154 32.26446 
1 1 1    2  -26    9 o   39.585   15.155   14.688   20.937   5.7084   24.376   39.953   40.887   37.664   15.672   58.409   21.418 -20.74580 26.53934 
1 1 1    2  -26   10 o  143.760   11.126  266.230   39.631  215.349   48.316  370.855   69.284  127.345   15.514  166.712   16.875 -39.36733 22.92271 
1 1 1    2  -26   11 o  202.402   11.463  529.375   57.698  495.098   70.817  597.058   99.511  193.587   14.760  208.756   19.308 -15.16891 24.30335 
1 1 1    2  -26   12 o   42.185   17.132   12.977   28.213   12.977   28.213   0.0000   0.0000   42.185   17.132  ?   ?  0.000000 17.13210 
1 1 1    2  -26   13 o   75.557   14.869   78.593   27.055   78.556   33.178   78.666   46.741   74.105   18.087   72.489   22.997 1.615349 29.25787 
1 1 1    2  -26   14 o   43.806   16.165   22.793   23.346   17.453   28.023   34.909   42.207   43.242   17.243   54.426   21.331 -11.18463 27.42812 
1 1 1    2  -26   15 o   85.883   14.559  102.754   30.110   79.934   37.130  146.583   51.457   72.485   19.905   97.316   21.725 -24.83096 29.46437 
1 1 1    2  -26   16 o  106.599   18.916  170.242   48.510  201.253   82.543  153.880   59.957  101.989   30.242   95.112   24.938 6.876396 39.19764 
1 1 1    2  -26   17 o   97.491   20.150  149.070   47.433  199.980   83.123  124.488   57.761   98.485   30.586   83.015   25.450 15.47037 39.78910 
1 1 1    2  -26   18 o  106.627   19.861  179.778   50.936  191.587   88.856  173.999   62.164   90.764   31.773   98.028   25.242 -7.263855 40.57960 
1 1 1    2  -25    0 f   75.384   17.001   75.750   31.241   2.1204   42.875  159.087   45.614   47.752   20.373  110.080   17.153 -62.32780 26.63241 
1 1 1    2  -25    1 o  163.242   16.400  345.120   65.951   0.0000   0.0000  345.120   65.951  ?   ?   163.242   16.400 0.000000 16.40036 
1 1 1    2  -25    2 o  221.695   14.772  630.622   81.310  630.622   81.310   0.0000   0.0000  221.695   14.772  ?   ?  0.000000 14.77177 
1 1 1    2  -25    3 o  131.318   10.386  219.202   33.780  132.303   39.830  441.856   63.755  100.239   16.485  185.666   13.851 -85.42622 21.53120 
1 1 1    2  -25    4 o  352.428   14.574  1588.89  128.266  1554.90  156.845  1657.53  222.869  345.890   18.223  350.553   25.637 -4.662933 31.45366 
1 1 1    2  -25    5 o  244.220   20.881  788.595  126.122  788.595  126.122   0.0000   0.0000  244.220   20.881  ?   ?  0.000000 20.88108 
1 1 1    2  -25    6 o  198.169   11.206  499.639   55.227  513.479   67.615  471.901   95.723  200.025   13.618  188.428   20.683 11.59729 24.76371 
1 1 1    2  -25    7 f   76.508   13.575   76.954   24.986   66.441   29.648  102.724   46.417   70.244   17.070   86.431   21.574 -16.18642 27.51001 
1 1 1    2  -25    8 o  305.448   13.198  1193.72  100.672  1232.83  123.614  1116.70  173.484  308.219   16.116  286.329   24.499 21.88986 29.32463 
1 1 1    2  -25    9 o  240.951   12.211  743.203   73.232  644.032   89.673  941.780  126.892  222.130   16.279  266.658   19.184 -44.52861 25.16040 
1 1 1    2  -25   10 o   73.487   19.748   74.329   37.017   71.520   61.976   75.887   46.154   74.308   26.486   74.219   22.749 0.8900452E-01 34.91406 
1 1 1    2  -25   11 o  116.879   11.842  176.709   34.085  147.571   41.977  233.098   58.396  104.955   16.566  131.545   18.270 -26.58988 24.66223 
1 1 1    2  -25   12 o  253.025   12.238  825.304   77.325  772.918   95.151  927.183  132.692  241.883   15.840  260.226   20.587 -18.34395 25.97610 
1 1 1    2  -25   13 o  123.157   12.256  198.232   37.191  200.242   45.751  194.318   63.858  122.301   15.316  115.947   22.867 6.353867 27.52257 
1 1 1    2  -25   14 o   70.238   17.322   69.418   30.193   82.328   39.061   50.255   47.589   75.389   20.298   62.188   23.053 13.20060 30.71566 
1 1 1    2  -25   15 o  129.338   11.848  220.484   37.841  230.330   47.695  203.757   62.168  130.268   14.931  117.194   22.052 13.07327 26.63147 
1 1 1    2  -25   16 o   78.536   15.135   86.245   28.607   64.055   35.699  126.066   47.823   65.571   19.990   91.009   21.402 -25.43818 29.28549 
1 1 1    2  -25   17 o  180.195   15.833  455.130   70.520  497.182  109.952  425.743   91.916  173.410   26.208  165.033   22.922 8.376801 34.81822 
1 1 1    2  -25   18 o  154.477   15.809  339.666   60.125  470.918   99.589  264.387   75.421  169.267   24.254  125.510   24.943 43.75697 34.79058 
1 1 1    2  -25   19 o   35.856   16.505 -12.8902   34.078 -52.9984   73.280  -1.8231   38.494   44.950   21.698   40.492   18.205 4.458572 28.32329 
1 1 1    2  -25   20 o  110.234   19.608  192.114   51.998  290.085   92.760  147.220   62.792  116.765   31.212   87.117   26.501 29.64791 40.94515 
1 1 1    2  -24    0 o   95.442   10.808  116.357   25.306  121.012   31.359  107.666   42.849   96.812   13.325   89.668   19.676 7.143440 23.76342 
1 1 1    2  -24    1 o  119.899   13.163  184.495   38.764  184.495   38.764   0.0000   0.0000  119.899   13.163  ?   ?  0.000000 13.16347 
1 1 1    2  -24    2 o  243.139   14.809  756.587   89.487  711.150  126.633  801.911  126.476  232.262   22.100  247.555   20.647 -15.29355 30.24419 
1 1 1    2  -24    3 o  364.738   12.963  1689.51  118.072  1612.85  163.399  1773.28  170.805  352.789   18.613  370.475   18.463 -17.68558 26.21678 
1 1 1    2  -24    4 o  200.616   10.963  510.359   54.715  527.185   66.806  476.079   95.357  203.199   13.238  190.185   20.397 13.01317 24.31598 
1 1 1    2  -24    5 f  163.060   10.422  337.249   42.217  306.831   51.372  400.521   74.092  154.692   13.432  175.555   17.119 -20.86336 21.75927 
1 1 1    2  -24    6 o  210.920   13.967  570.123   73.151  570.123   73.151   0.0000   0.0000  210.920   13.967  ?   ?  0.000000 13.96746 
1 1 1    2  -24    7 o  136.330   10.666  236.583   36.021  194.911   43.922  322.184   62.951  122.584   14.638  157.421   16.247 -34.83627 21.86855 
1 1 1    2  -24    8 o  116.462   11.591  173.812   33.263  138.755   40.497  246.505   58.315  102.567   16.361  136.946   17.449 -34.37804 23.91918 
1 1 1    2  -24    9 o  214.571   11.598  586.737   61.915  501.745   75.937  755.302  106.942  196.758   15.582  240.278   17.953 -43.52045 23.77209 
1 1 1    2  -24   10 o  287.114   13.145  1054.47   94.250  1001.26  115.686  1159.51  162.533  277.250   16.788  293.877   22.314 -16.62683 27.92444 
1 1 1    2  -24   11 o  121.908   15.337  194.930   45.655  215.818   73.718  181.934   58.150  124.079   24.661  115.412   20.948 8.667091 32.35680 
1 1 1    2  -24   12 o   99.133   12.258  127.602   29.699   84.340   36.580  211.270   50.871   78.357   18.911  126.242   16.534 -47.88465 25.11971 
1 1 1    2  -24   13 o  151.655   11.458  296.028   43.071  266.742   53.740  348.629   72.022  142.218   15.377  161.158   18.216 -18.94002 23.83822 
1 1 1    2  -24   14 o  227.650   11.899  669.428   67.408  614.817   83.420  772.180  114.426  215.576   15.601  238.152   19.409 -22.57649 24.90241 
1 1 1    2  -24   15 o   93.592   20.614  125.335   46.876  125.335   46.876   0.0000   0.0000   93.592   20.614  ?   ?  0.000000 20.61375 
1 1 1    2  -24   16 o  117.687   12.002  182.266   34.779  191.070   44.059  167.711   56.650  118.758   15.206  106.815   21.971 11.94292 26.72000 
1 1 1    2  -24   17 o   71.291   16.393   71.999   28.574   65.685   36.632   81.809   45.663   66.747   20.227   73.210   22.659 -6.462341 30.37374 
1 1 1    2  -24   18 o  178.275   11.927  422.532   52.790  464.964   66.856  352.273   86.030  184.257   14.651  150.234   23.718 34.02205 27.87860 
1 1 1    2  -24   19 o  199.517   16.061  562.455   79.341  625.132  124.110  519.138  103.178  192.815   26.475  180.565   23.435 12.25037 35.35699 
1 1 1    2  -24   20 o  140.849   16.713  288.224   57.636  389.276   99.117  236.597   70.846  147.249   27.978  118.067   24.817 29.18175 37.39881 
1 1 1    2  -24   21 o   34.100   15.942 -19.7127   33.717   33.846   79.915 -31.3115   37.189   57.579   26.027   33.782   16.077 23.79687 30.59180 
1 1 1    2  -23    0 o  148.250   9.5554  277.544   35.186  229.690   45.742  346.901   55.068  133.917   13.880  164.959   13.486 -31.04198 19.35252 
1 1 1    2  -23    1 o  389.554   13.702  1924.74  133.291  1824.73  185.863  2030.65  191.256  375.606   19.887  397.106   19.287 -21.49976 27.70291 
1 1 1    2  -23    2 o  103.562   10.116  136.372   25.826  118.759   32.021  169.157   43.687   95.798   13.782  114.152   15.744 -18.35496 20.92451 
1 1 1    2  -23    3 o  223.621   10.382  630.591   57.973  586.826   78.021  684.542   86.626  214.200   14.675  231.270   15.082 -17.06970 21.04321 
1 1 1    2  -23    4 o  239.378   14.672  732.871   87.282  658.401  124.280  805.352  122.609  223.229   22.606  248.553   19.921 -25.32434 30.13149 
1 1 1    2  -23    5 o  220.981   11.346  619.166   62.400  505.607   76.003  854.028  109.301  198.302   15.470  257.255   17.112 -58.95316 23.06818 
1 1 1    2  -23    6 o  299.671   13.083  1141.31   97.904  1210.86  120.139  1003.81  168.928  307.105   15.718  273.845   24.978 33.25980 29.51178 
1 1 1    2  -23    7 o   72.909   12.425   69.269   21.812   76.465   26.436   53.924   38.604   76.222   14.417   64.784   20.937 11.43786 25.42006 
1 1 1    2  -23    8 o  385.975   28.793  2042.14  275.528  2042.14  275.528   0.0000   0.0000  385.975   28.793  ?   ?  0.000000 28.79333 
1 1 1    2  -23    9 o  112.270   11.176  161.210   30.916  154.090   37.939  175.286   53.342  108.919   14.294  114.610   19.325 -5.691391 24.03676 
1 1 1    2  -23   10 o  379.166   15.430  1848.49  146.100  1849.42  179.316  1846.65  251.989  375.907   19.166  366.606   27.730 9.301056 33.70920 
1 1 1    2  -23   11 o  300.600   13.189  1154.28   99.001  1246.50  121.975  976.229  169.482  310.510   15.783  267.229   25.715 43.28131 30.17189 
1 1 1    2  -23   12 o  145.986   11.066  272.213   40.040  243.607   49.789  324.585   67.368  136.831   14.807  157.004   17.479 -20.17291 22.90823 
1 1 1    2  -23   13 o  257.380   15.568  861.359   99.586  925.632  146.735  806.474  135.595  261.132   22.729  243.822   22.525 17.31027 31.99928 
1 1 1    2  -23   14 o   78.270   14.377   81.517   27.065   94.124   34.021   59.783   44.670   83.404   16.913   67.235   22.559 16.16920 28.19494 
1 1 1    2  -23   15 o   90.272   13.581  107.635   29.666   68.400   37.636  172.016   48.210   70.123   20.317  112.715   17.712 -42.59161 26.95395 
1 1 1    2  -23   16 o  202.895   11.812  532.826   59.586  579.731   74.153  447.338  100.107  210.024   14.222  177.288   23.166 32.73601 27.18338 
1 1 1    2  -23   17 o   74.978   15.542   77.300   28.144   64.177   35.781   98.592   45.576   67.113   19.914   81.975   21.863 -14.86213 29.57230 
1 1 1    2  -23   18 o  134.482   11.921  238.093   39.619  239.990   50.846  235.162   63.210  132.628   15.654  127.593   20.535 5.034821 25.82146 
1 1 1    2  -23   19 o  130.751   12.640  228.573   40.756  160.345   51.810  339.325   66.010  103.727   20.727  155.307   17.315 -51.57967 27.00769 
1 1 1    2  -23   20 o  157.136   16.093  347.090   62.258  410.559  104.390  312.051   77.563  155.353   27.935  141.660   22.692 13.69310 35.99035 
1 1 1    2  -23   21 f   62.306   21.136   60.719   39.219   54.938   81.327   62.471   44.769   63.614   27.607   62.864   22.500 0.7503586 35.61450 
1 1 1    2  -23   22 o   96.509   20.120  146.261   46.918  220.316   92.685  120.746   54.404  100.010   32.453   82.670   24.561 17.34090 40.69938 
1 1 1    2  -23   23 o  122.989   18.792  233.915   55.883  287.379  104.892  212.725   66.035  108.517   34.453  109.574   24.721 -1.056740 42.40462 
1 1 1    2  -22    0 o   51.257   15.482   33.608   21.487   33.608   21.487   0.0000   0.0000   51.257   15.482  ?   ?  0.000000 15.48243 
1 1 1    2  -22    1 o  198.315   9.8584  494.533   48.822  461.594   66.065  534.165   72.467  190.429   13.991  204.852   14.255 -14.42271 19.97348 
1 1 1    2  -22    2 o  166.568   9.6144  350.046   39.821  344.273   52.890  357.601   60.506  164.484   12.982  167.240   14.635 -2.755814 19.56344 
1 1 1    2  -22    3 o  103.188   9.9222  135.229   25.252  128.699   31.997  146.014   41.119   99.999   13.131  105.905   16.051 -5.906296 20.73763 
1 1 1    2  -22    4 o  212.990   9.8839  571.219   52.570  540.403   70.869  608.921   78.388  205.888   13.865  218.413   14.454 -12.52509 20.02858 
1 1 1    2  -22    5 o  117.605   13.294  177.585   38.357  175.000   56.653  179.774   52.119  114.655   20.541  116.900   18.467 -2.245163 27.62219 
1 1 1    2  -22    6 o  159.083   10.233  320.414   40.434  289.142   49.481  383.268   70.150  150.351   13.317  172.252   16.511 -21.90103 21.21181 
1 1 1    2  -22    7 o  311.119   13.532  1230.59  105.137  1177.06  128.765  1337.67  182.103  302.210   17.133  318.293   23.067 -16.08218 28.73382 
1 1 1    2  -22    8 o  216.719   11.180  595.529   60.299  566.619   74.051  652.424  103.882  210.403   14.176  223.850   18.757 -13.44707 23.51134 
1 1 1    2  -22    9 o  216.635   14.154  600.963   76.149  600.963   76.149   0.0000   0.0000  216.635   14.154  ?   ?  0.000000 14.15394 
1 1 1    2  -22   10 f  105.278   13.249  143.190   34.061  161.161   45.284  119.776   51.688  110.701   16.918   93.583   22.414 17.11876 28.08195 
1 1 1    2  -22   11 o   79.776   12.906   82.960   24.833   82.157   30.981   84.404   41.534   78.529   16.331   78.805   20.801 -0.2758408 26.44562 
1 1 1    2  -22   12 o  319.509   13.710  1304.65  109.385  1269.40  134.510  1373.49  187.956  312.620   17.297  319.910   23.696 -7.289520 29.33772 
1 1 1    2  -22   13 o  239.748   11.615  730.633   69.539  798.707   86.415  605.560  117.135  249.343   13.934  212.252   22.440 37.09096 26.41422 
1 1 1    2  -22   14 o  139.492   14.541  252.867   49.907  322.812   82.893  213.097   62.506  154.134   22.174  125.443   20.674 28.69106 30.31694 
1 1 1    2  -22   15 o  139.270   11.428  248.875   39.395  188.168   49.605  352.559   64.828  118.882   17.210  163.953   16.040 -45.07164 23.52557 
1 1 1    2  -22   16 o  214.847   11.752  592.827   62.812  615.407   78.812  553.515  103.992  217.286   14.610  201.619   20.961 15.66679 25.55014 
1 1 1    2  -22   17 o  193.801   11.533  484.201   55.564  507.441   70.175  445.147   90.969  196.721   14.385  179.753   20.640 16.96848 25.15847 
1 1 1    2  -22   18 o  181.884   20.162  460.227   90.033  460.227   90.033   0.0000   0.0000  181.884   20.162  ?   ?  0.000000 20.16164 
1 1 1    2  -22   19 o   68.973   15.842   66.181   26.712   49.429   34.869   89.977   41.557   59.772   19.930   78.362   20.866 -18.59012 28.85471 
1 1 1    2  -22   20 o  129.107   12.147  220.898   38.703  255.911   50.659  171.811   59.984  137.002   15.056  105.905   23.313 31.09702 27.75184 
1 1 1    2  -22   21 o  213.566   12.533  609.302   66.549  599.600   84.093  625.559  108.860  207.154   16.390  203.758   21.730 3.396637 27.21785 
1 1 1    2  -22   22 o  143.119   15.744  288.841   55.337  401.891   97.409  234.970   67.242  155.194   26.058  121.579   22.990 33.61506 34.75017 
1 1 1    2  -22   23 o  110.158   17.868  180.138   47.468  328.663   94.071  129.402   54.981  133.603   29.026   86.654   24.382 46.94966 37.90739 
1 1 1    2  -22   24 o   66.990   22.955   77.247   46.265   0.0000   0.0000   77.247   46.265  ?   ?    66.990   22.955 0.000000 22.95550 
1 1 1    2  -21    0 o  249.957   10.793  785.086   67.368  761.614   93.286  810.669   97.391  244.943   15.328  252.689   15.509 -7.745529 21.80572 
1 1 1    2  -21    1 o  145.110   12.753  267.455   45.744  246.176   56.116  309.603   78.978  138.344   16.573  154.124   21.072 -15.77986 26.80886 
1 1 1    2  -21    2 o   82.641   10.161   87.113   20.527   92.402   25.561   77.508   34.446   84.724   12.453   76.467   18.286 8.257027 22.12345 
1 1 1    2  -21    3 o  290.432   11.269  1062.67   81.732  968.785  113.199  1164.91  118.132  275.431   16.535  302.435   15.696 -27.00418 22.79795 
1 1 1    2  -21    4 o  236.395   10.273  703.355   60.642  683.110   82.910  726.646   88.928  231.652   14.404  238.758   14.991 -7.106308 20.78957 
1 1 1    2  -21    5 o  461.262   15.209  2706.48  175.181  2556.85  245.661  2861.28  249.880  443.750   22.169  470.132   21.284 -26.38116 30.73260 
1 1 1    2  -21    6 o  246.901   11.852  770.317   73.075  766.381   89.563  778.155  126.388  245.070   14.703  244.306   20.918 0.7645416 25.56857 
1 1 1    2  -21    7 o  324.164   17.185  1350.49  138.615  1327.78  197.336  1372.60  194.751  316.333   25.190  322.250   24.382 -5.916504 35.05699 
1 1 1    2  -21    8 o  182.469   10.664  421.574   48.380  392.565   59.465  478.370   83.205  175.260   13.696  192.236   17.525 -16.97581 22.24202 
1 1 1    2  -21    9 o  195.833   10.725  485.686   52.251  517.062   64.569  426.156   88.938  201.455   12.903  180.200   20.107 21.25458 23.89096 
1 1 1    2  -21   10 o  196.950   11.013  491.825   53.946  460.885   66.579  550.965   92.048  189.687   14.158  205.921   18.084 -16.23381 22.96635 
1 1 1    2  -21   11 o  261.533   21.640  901.977  140.062  901.977  140.062   0.0000   0.0000  261.533   21.640  ?   ?  0.000000 21.64025 
1 1 1    2  -21   12 o  132.193   10.889  222.530   35.626  192.009   44.535  276.770   59.369  121.641   14.978  145.793   16.603 -24.15190 22.36052 
1 1 1    2  -21   13 o   93.760   12.148  113.438   27.773   95.830   35.319  141.965   44.956   84.700   17.284  103.301   18.086 -18.60064 25.01681 
1 1 1    2  -21   14 o  136.978   10.978  239.290   37.236  231.578   47.077  252.177   60.856  133.765   14.315  138.279   18.055 -4.513046 23.04141 
1 1 1    2  -21   15 o  116.490   11.527  174.090   33.092  137.535   42.305  231.723   53.119  101.655   17.284  132.942   16.345 -31.28625 23.78848 
1 1 1    2  -21   16 o  153.758   14.172  306.474   53.802  379.962   88.563  263.491   67.733  167.501   21.682  139.976   19.941 27.52524 29.45762 
1 1 1    2  -21   17 o  177.077   11.328  401.690   49.831  378.946   62.952  439.855   81.546  170.383   14.947  181.817   18.205 -11.43353 23.55483 
1 1 1    2  -21   18 o  109.871   12.220  156.993   32.959  160.160   43.219  152.590   50.950  109.348   16.328  104.904   20.182 4.444283 25.95987 
1 1 1    2  -21   19 o  198.105   15.567  521.033   76.389  521.033   76.389   0.0000   0.0000  198.105   15.567  ?   ?  0.000000 15.56682 
1 1 1    2  -21   20 o  130.585   12.129  223.462   39.099  230.975   51.180  212.930   60.595  130.563   16.034  122.343   20.563 8.220009 26.07592 
1 1 1    2  -21   21 o  143.568   12.162  271.849   43.194  264.048   56.216  283.094   67.490  138.408   16.596  140.755   19.744 -2.347046 25.79238 
1 1 1    2  -21   22 o  140.762   12.265  263.849   42.683  264.972   56.079  262.303   65.807  137.584   16.662  133.503   20.386 4.081543 26.32857 
1 1 1    2  -21   23 o  151.190   16.674  324.251   61.906  265.108  107.233  353.816   75.816  112.951   34.684  153.884   20.219 -40.93290 40.14701 
1 1 1    2  -21   24 o   74.714   30.046  107.363   85.863  107.363   85.863   0.0000   0.0000   74.714   30.046  ?   ?  0.000000 30.04617 
1 1 1    2  -21   25 o   45.547   18.591   21.954   33.434  126.910   86.351   3.4452   36.262   77.107   30.418   40.965   18.087 36.14224 35.38934 
1 1 1    2  -20    0 o  177.942   9.3432  397.912   41.372  336.387   55.885  472.521   61.541  162.890   13.871  193.439   12.812 -30.54941 18.88281 
1 1 1    2  -20    1 o  375.972   13.041  1779.15  122.442  1662.48  171.505  1900.43  174.862  361.319   19.076  387.150   18.087 -25.83130 26.28714 
1 1 1    2  -20    2 o  333.063   12.167  1395.80  101.199  1367.63  141.481  1425.32  144.810  327.953   17.337  334.802   17.380 -6.849396 24.54905 
1 1 1    2  -20    3 o  399.318   18.628  2030.90  185.756  1838.69  257.454  2239.62  268.277  374.624   27.717  414.749   26.035 -40.12531 38.02700 
1 1 1    2  -20    4 o  363.783   12.751  1669.48  115.836  1590.82  161.982  1751.80  165.716  352.686   18.456  370.805   17.896 -18.11914 25.70824 
1 1 1    2  -20    5 f  153.622   9.2261  297.460   35.229  289.049   46.814  308.444   53.495  150.822   12.544  155.529   13.921 -4.706894 18.73847 
1 1 1    2  -20    6 o  136.714   8.9696  235.780   30.453  211.161   39.714  270.913   47.442  128.701   12.515  145.776   13.175 -17.07574 18.17170 
1 1 1    2  -20    7 o  213.280   11.048  575.054   58.642  489.587   71.726  747.364  101.843  195.770   14.781  241.294   17.011 -45.52368 22.53521 
1 1 1    2  -20    8 o  140.377   13.443  252.012   46.549  153.851   68.514  336.170   63.439  105.971   26.070  161.612   15.926 -55.64122 30.54961 
1 1 1    2  -20    9 o  281.571   12.307  1003.41   86.533  1028.24  106.426  954.979  148.642  283.705   15.076  269.810   22.260 13.89548 26.88505 
1 1 1    2  -20   10 o  133.621   9.9845  226.247   33.075  223.939   41.128  230.471   55.650  132.364   12.595  133.024   17.152 -0.6594238 21.27969 
1 1 1    2  -20   11 o  293.798   12.976  1095.63   95.203  1055.67  117.084  1173.61  163.554  286.553   16.431  298.797   22.076 -12.24353 27.51950 
1 1 1    2  -20   12 o  242.322   11.561  743.210   69.961  772.731   86.422  687.079  119.169  245.889   14.134  228.583   21.116 17.30649 25.40939 
1 1 1    2  -20   13 o  153.528   12.975  301.619   49.278  414.949   68.784  182.117   70.633  179.387   15.507  114.925   25.297 64.46191 29.67199 
1 1 1    2  -20   14 o  191.533   10.851  465.556   51.686  485.779   64.748  430.031   85.815  194.852   13.388  180.928   19.291 13.92395 23.48157 
1 1 1    2  -20   15 f  202.227   11.490  520.297   57.783  457.635   71.975  633.910   96.916  188.191   15.452  220.560   17.746 -32.36905 23.53085 
1 1 1    2  -20   16 o  159.878   10.853  325.415   43.072  387.517   54.937  226.339   69.389  173.926   12.737  129.042   22.342 44.88379 25.71807 
1 1 1    2  -20   17 o   96.719   17.081  124.775   39.747   84.572   71.999  142.399   47.670   80.632   28.568  102.667   19.302 -22.03496 34.47730 
1 1 1    2  -20   18 o   78.647   14.347   82.027   27.138   55.519   36.139  116.303   41.094   64.493   20.190   92.601   18.419 -28.10779 27.32964 
1 1 1    2  -20   19 o  136.432   11.726  240.011   39.562  216.050   51.293  275.200   62.159  127.434   16.506  143.401   17.736 -15.96689 24.22860 
1 1 1    2  -20   20 o   83.130   14.119   92.260   28.262   91.356   38.703   93.291   41.367   80.738   19.431   81.250   20.414 -0.5120087 28.18295 
1 1 1    2  -20   21 o  100.447   21.107  144.709   51.261  144.709   51.261   0.0000   0.0000  100.447   21.107  ?   ?  0.000000 21.10705 
1 1 1    2  -20   22 o  104.429   13.397  145.789   34.131  114.764   45.701  184.919   51.325   88.404   21.011  114.611   18.568 -26.20718 28.04004 
1 1 1    2  -20   23 o   81.800   21.312  101.182   43.971   0.0000   0.0000  101.182   43.971  ?   ?    81.800   21.312 0.000000 21.31209 
1 1 1    2  -20   24 o  179.523   11.993  429.146   53.455  462.128   69.359  380.897   83.890  182.791   15.337  158.471   21.774 24.31941 26.63305 
1 1 1    2  -20   25 o   61.116   20.082   56.893   35.447   87.824   84.453   50.279   39.054   71.219   29.363   58.285   20.998 12.93446 36.09838 
1 1 1    2  -20   26 o   91.414   19.520  128.956   43.204  231.473   93.860  101.395   48.666  104.215   32.524   77.369   23.285 26.84572 39.99974 
1 1 1    2  -20   27 o  139.016   17.458  289.128   59.268  346.975  112.143  266.708   69.815  121.835   35.006  126.369   22.970 -4.533485 41.86895 
1 1 1    2  -19    0 o   36.240   14.517   7.8799   19.958   9.4408   28.194   6.3121   28.256   42.342   17.151   41.183   16.982 1.159500 24.13582 
1 1 1    2  -19    1 o  161.776   8.9805  328.753   36.137  332.077   48.798  324.717   53.776  162.195   12.136  160.158   13.574 2.036850 18.20780 
1 1 1    2  -19    2 o  318.925   11.794  1277.22   93.929  1198.91  131.288  1359.33  134.438  307.560   17.162  328.149   16.406 -20.58847 23.74245 
1 1 1    2  -19    3 f  304.665   11.573  1166.03   88.050  1176.42  122.862  1155.06  126.251  304.718   16.204  301.761   16.821 2.956604 23.35654 
1 1 1    2  -19    4 o  445.423   17.341  2515.24  192.880  2477.84  234.672  2593.11  338.617  440.391   21.339  444.249   30.712 -3.857422 37.39740 
1 1 1    2  -19    5 o  362.598   17.664  1670.84  159.945  1553.97  220.543  1800.51  232.309  345.464   25.750  372.336   25.132 -26.87207 35.98148 
1 1 1    2  -19    6 o  286.754   10.541  1033.92   75.481  967.977  104.279  1106.49  109.397  276.023   15.187  295.264   14.885 -19.24094 21.26518 
1 1 1    2  -19    7 o  215.445   11.230  586.198   60.208  609.766   73.968  539.921  103.649  219.178   13.581  203.994   20.630 15.18422 24.69946 
1 1 1    2  -19    8 o  136.500   9.9545  235.605   33.698  251.704   41.694  205.279   57.224  140.727   11.978  125.262   18.880 15.46459 22.35944 
1 1 1    2  -19    9 o  280.757   12.210  996.077   85.606  954.862  105.146  1077.11  147.438  273.497   15.459  288.129   20.628 -14.63184 25.77745 
1 1 1    2  -19   10 o  331.750   17.473  1413.69  144.240  1383.43  205.908  1442.85  202.119  322.970   25.744  330.661   24.655 -7.691376 35.64609 
1 1 1    2  -19   11 f  243.656   11.384  749.927   69.264  759.914   85.546  730.919  118.022  244.141   14.092  236.895   20.142 7.245544 24.58167 
1 1 1    2  -19   12 o  129.223   9.9343  211.645   31.812  250.310   40.154  146.472   52.133  140.246   11.569  104.561   20.698 35.68512 23.71209 
1 1 1    2  -19   13 o   44.615   14.054   25.074   17.479   27.503   22.728   21.557   27.348   47.770   16.091   46.615   17.437 1.154930 23.72690 
1 1 1    2  -19   14 o  250.308   21.148  823.126  130.949  823.126  130.949   0.0000   0.0000  250.308   21.148  ?   ?  0.000000 21.14768 
1 1 1    2  -19   15 o  391.408   15.186  1960.45  148.434  2065.94  182.893  1756.89  254.070  399.590   18.329  358.773   28.596 40.81757 33.96577 
1 1 1    2  -19   16 o   66.150   14.105   57.906   22.588   63.589   29.753   50.173   34.706   68.879   17.316   62.303   19.822 6.575397 26.32032 
1 1 1    2  -19   17 o  133.326   11.051  226.736   36.460  258.382   47.167  179.752   57.471  141.685   13.494  115.503   20.685 26.18163 24.69732 
1 1 1    2  -19   18 o  127.211   11.460  207.177   36.014  222.890   47.034  184.907   55.993  131.003   14.627  117.279   19.826 13.72492 24.63765 
1 1 1    2  -19   19 o  214.980   14.144  596.784   75.506  744.843  119.100  497.284   97.635  236.233   20.389  192.602   20.620 43.63098 28.99848 
1 1 1    2  -19   20 o  130.049   11.743  217.895   37.726  224.228   49.785  209.354   57.817  130.454   15.591  124.347   19.241 6.107117 24.76490 
1 1 1    2  -19   21 o  107.555   12.184  150.613   32.146  185.541   43.734  109.566   47.410  118.280   15.155   87.841   21.733 30.43941 26.49515 
1 1 1    2  -19   22 o   52.460   20.340   28.502   38.064   28.502   38.064   0.0000   0.0000   52.460   20.340  ?   ?  0.000000 20.34050 
1 1 1    2  -19   23 o   99.634   19.394  141.149   46.516  141.149   46.516   0.0000   0.0000   99.634   19.394  ?   ?  0.000000 19.39357 
1 1 1    2  -19   24 f   45.470   16.499   25.196   24.171   14.419   35.635   34.381   32.896   45.628   18.965   52.195   19.200 -6.566830 26.98699 
1 1 1    2  -19   25 o  109.257   13.209  161.570   35.308  181.746   49.045  139.865   50.870  112.415   18.084   95.473   21.814 16.94141 28.33554 
1 1 1    2  -19   26 o   54.060   19.383   41.032   33.238   11.164   84.929   46.434   36.118   58.026   26.464   56.724   20.219 1.302853 33.30434 
1 1 1    2  -19   27 o  141.493   16.610  288.358   57.572  353.741  108.380  262.656   67.952  133.067   32.820  129.128   21.853 3.938721 39.42994 
1 1 1    2  -19   28 o  121.741   18.492  224.754   54.449  199.406  108.772  233.230   62.896   88.034   34.314  120.162   21.762 -32.12758 40.63318 
1 1 1    2  -18    0 o  296.454   11.426  1101.13   84.587  1100.88  118.486  1101.38  120.797  295.487   16.118  295.497   16.435 -0.9796143E-02 23.01985 
1 1 1    2  -18    1 o  233.492   13.966  686.985   81.059  676.151  114.890  697.723  114.382  230.500   20.163  234.264   19.736 -3.764648 28.21455 
1 1 1    2  -18    2 o  288.900   10.355  1045.71   74.705  995.733  103.924  1099.15  107.463  281.017   14.862  295.695   14.553 -14.67795 20.80099 
1 1 1    2  -18    3 o  434.056   14.363  2369.76  155.686  2340.24  219.100  2399.88  221.263  429.741   20.417  435.200   20.360 -5.459869 28.83324 
1 1 1    2  -18    4 o  416.394   14.311  2182.62  148.813  2143.94  209.350  2222.12  211.573  410.967   20.399  418.443   20.248 -7.476227 28.74191 
1 1 1    2  -18    5 f  130.404   9.0029  214.106   29.138  219.387   38.549  207.068   44.504  131.615   11.856  127.430   14.228 4.185204 18.52060 
1 1 1    2  -18    6 o  112.424   13.781  161.652   37.878  164.096   44.128  154.809   73.833  112.802   16.124  107.294   27.446 5.508461 31.83209 
1 1 1    2  -18    7 f  202.382   9.5186  514.068   48.106  543.882   65.798  479.829   70.510  207.358   12.769  194.311   14.639 13.04707 19.42529 
1 1 1    2  -18    8 o  186.477   10.124  438.299   46.968  443.746   57.999  427.921   80.056  187.183   12.480  182.469   17.796 4.713348 21.73547 
1 1 1    2  -18    9 o  388.403   15.523  1915.69  150.564  1893.70  184.649  1959.31  260.092  383.962   19.320  385.368   27.202 -1.405884 33.36454 
1 1 1    2  -18   10 o  191.569   10.574  463.512   50.388  449.006   62.372  490.767   85.496  187.894   13.380  195.173   17.735 -7.279694 22.21666 
1 1 1    2  -18   11 o  224.059   13.323  638.039   74.206  752.751  108.732  538.031  101.524  241.684   18.149  203.301   20.268 38.38382 27.20585 
1 1 1    2  -18   12 o  275.610   12.178  960.568   83.812  933.541  103.282  1012.68  143.421  270.288   15.365  278.983   20.735 -8.694336 25.80757 
1 1 1    2  -18   13 o  278.898   12.050  983.981   83.924  1047.78  103.712  862.962  142.841  286.604   14.538  256.204   22.556 30.40002 26.83565 
1 1 1    2  -18   14 o  165.571   9.9242  346.677   40.843  428.989   51.710  210.155   66.596  183.913   11.314  125.263   22.098 58.64967 24.82580 
1 1 1    2  -18   15 o  185.956   10.772  438.105   49.808  476.322   62.187  369.718   83.187  193.311   12.957  167.647   20.283 25.66451 24.06863 
1 1 1    2  -18   16 o  214.182   13.705  586.138   72.916  633.870  102.923  538.041  103.315  220.574   18.867  202.213   20.754 18.36040 28.04824 
1 1 1    2  -18   17 o  200.857   11.473  512.572   57.305  492.259   71.831  548.135   95.042  195.703   14.808  204.841   18.790 -9.138336 23.92313 
1 1 1    2  -18   18 o  149.572   10.652  284.408   39.528  326.921   51.002  220.466   62.550  159.778   12.892  128.544   20.148 31.23375 23.91985 
1 1 1    2  -18   19 o  324.641   13.428  1346.11  108.858  1456.77  135.265  1142.69  183.392  336.064   16.118  289.822   25.603 46.24146 30.25386 
1 1 1    2  -18   20 o  149.191   15.113  289.582   55.528  226.874   93.865  323.343   68.873  124.619   30.427  156.488   17.949 -31.86906 35.32664 
1 1 1    2  -18   21 o  207.797   11.530  552.555   59.593  594.459   76.202  486.571   95.621  214.161   14.331  190.068   20.469 24.09294 24.98743 
1 1 1    2  -18   22 o   91.982   19.848  117.465   44.253   0.0000   0.0000  117.465   44.253  ?   ?    91.982   19.848 0.000000 19.84833 
1 1 1    2  -18   23 o  104.522   13.128  143.860   33.509  178.990   44.785   99.183   50.505  115.426   15.965   82.530   23.420 32.89569 28.34356 
1 1 1    2  -18   24 o   98.119   22.431  141.405   53.763  141.405   53.763   0.0000   0.0000   98.119   22.431  ?   ?  0.000000 22.43113 
1 1 1    2  -18   25 o  127.606   12.152  215.075   38.255  242.687   52.318  183.352   56.078  133.015   16.077  112.131   20.793 20.88428 26.28302 
1 1 1    2  -18   26 o  172.616   11.880  394.338   50.895  443.273   67.708  330.766   77.172  179.886   15.215  149.188   21.321 30.69850 26.19319 
1 1 1    2  -18   27 o  123.396   16.549  215.857   49.711  285.495   99.040  192.405   57.475  123.280   31.920  112.248   21.283 11.03252 38.36489 
1 1 1    2  -18   28 o   35.714   15.906  -3.4254   28.647   71.935   87.394 -12.4974   30.323   67.774   29.006   34.303   15.709 33.47113 32.98620 
1 1 1    2  -18   29 o   91.314   19.987  130.744   44.310  176.766  102.853  120.256   49.100   85.747   33.383   84.680   22.739 1.067024 40.39176 
1 1 1    2  -18   30 o   82.590   33.769  189.987  110.547  189.987  110.547   0.0000   0.0000   82.590   33.769  ?   ?  0.000000 33.76855 
1 1 1    2  -17    0 o  109.871   8.5487  151.869   23.270  151.777   30.476  151.999   36.037  109.526   11.305  109.304   13.489 0.2218857 17.59991 
1 1 1    2  -17    1 o  402.365   13.650  2030.13  137.150  2018.92  193.185  2041.51  194.743  400.395   19.321  402.620   19.369 -2.225494 27.35838 
1 1 1    2  -17    2 o  312.093   11.346  1220.12   88.425  1215.49  123.983  1224.91  126.147  310.590   16.040  311.756   16.260 -1.165863 22.84025 
1 1 1    2  -17    3 o  228.350   13.879  656.968   78.770  622.079  112.071  691.030  110.736  220.982   20.544  233.287   19.178 -12.30458 28.10450 
1 1 1    2  -17    4 o  350.128   12.219  1537.83  106.832  1460.61  149.882  1617.58  152.313  339.901   17.720  358.304   17.023 -18.40311 24.57161 
1 1 1    2  -17    5 o  203.316   9.3869  517.749   47.659  466.929   65.245  575.883   69.783  192.268   13.678  213.712   13.139 -21.44356 18.96688 
1 1 1    2  -17    6 o   44.899   12.478   26.067   14.495   27.356   18.129   23.782   24.132   46.584   14.254   46.631   16.537 -0.4770660E-01 21.83232 
1 1 1    2  -17    7 o  112.690   9.2495  160.239   25.799  148.640   34.197  175.561   39.305  107.941   12.945  117.304   13.675 -9.363037 18.83010 
1 1 1    2  -17    8 o  277.680   21.712  991.931  149.356  991.931  149.356   0.0000   0.0000  277.680   21.712  ?   ?  0.000000 21.71198 
1 1 1    2  -17    9 o  113.348   9.4708  162.373   26.562  187.823   33.271  117.642   44.109  121.719   11.067   94.388   19.363 27.33124 22.30249 
1 1 1    2  -17   10 o  186.149   10.285  436.973   47.624  453.833   58.985  405.400   80.718  189.266   12.551  177.303   18.503 11.96294 22.35857 
1 1 1    2  -17   11 o  210.365   10.810  558.649   56.594  538.109   69.995  597.427   96.175  205.768   13.700  215.518   18.036 -9.750000 22.64933 
1 1 1    2  -17   12 o  193.586   10.501  473.282   50.573  499.580   62.883  425.125   85.095  198.381   12.761  181.049   19.110 17.33150 22.97952 
1 1 1    2  -17   13 o  363.092   17.244  1686.52  156.351  1961.60  224.350  1426.75  218.014  387.162   23.314  327.489   26.896 59.67291 35.59407 
1 1 1    2  -17   14 o  160.040   9.9710  323.779   39.651  385.736   50.060  219.464   64.956  174.385   11.561  128.682   20.934 45.70271 23.91383 
1 1 1    2  -17   15 o  260.436   11.568  857.207   75.233  944.720   93.364  695.165  127.045  272.395   13.770  229.812   22.423 42.58270 26.31404 
1 1 1    2  -17   16 o  135.041   10.228  231.227   34.235  267.754   44.003  175.208   54.493  144.911   12.275  114.918   19.698 29.99257 23.20966 
1 1 1    2  -17   17 o  225.274   20.197  663.894  112.411  663.894  112.411   0.0000   0.0000  225.274   20.197  ?   ?  0.000000 20.19679 
1 1 1    2  -17   18 f  284.572   12.414  1027.51   88.215  1103.85  109.647  887.411  148.536  293.522   15.009  258.479   23.261 35.04291 27.68328 
1 1 1    2  -17   19 o  133.202   10.809  225.850   35.644  261.073   46.803  177.212   54.998  142.613   13.295  115.196   19.834 27.41681 23.87828 
1 1 1    2  -17   20 o   64.338   15.199   55.182   24.030   60.822   33.524   49.221   34.463   67.362   19.068   61.726   19.764 5.636604 27.46340 
1 1 1    2  -17   21 o  180.763   14.719  422.501   65.866  404.109  106.063  434.046   84.035  171.063   25.617  181.294   18.837 -10.23189 31.79728 
1 1 1    2  -17   22 o  103.408   18.162  143.884   45.189  143.884   45.189   0.0000   0.0000  103.408   18.162  ?   ?  0.000000 18.16222 
1 1 1    2  -17   23 o   96.732   12.852  122.330   30.275  170.624   42.315   71.680   43.335  113.548   15.314   71.969   22.040 41.57946 26.83819 
1 1 1    2  -17   24 f  144.746   11.196  270.415   40.153  347.314   54.197  176.846   59.784  163.027   13.432  111.501   22.251 51.52521 25.99079 
1 1 1    2  -17   25 o  116.681   21.553  195.211   60.487  195.211   60.487   0.0000   0.0000  116.681   21.553  ?   ?  0.000000 21.55313 
1 1 1    2  -17   26 o   39.840   15.641   14.581   22.729  -8.3611   36.124   29.614   29.243   39.592   17.730   49.372   18.112 -9.780018 25.34540 
1 1 1    2  -17   27 o   72.624   16.535   75.045   29.316   71.257   43.473   78.204   39.701   68.654   22.221   72.103   20.861 -3.448166 30.47851 
1 1 1    2  -17   28 o   72.333   16.654   75.504   29.460  131.134   45.274   34.652   38.798   93.482   19.999   52.920   20.531 40.56168 28.66129 
1 1 1    2  -17   29 o  175.008   15.466  428.977   66.893  619.633  121.869  346.767   80.026  193.329   25.894  149.306   22.134 44.02310 34.06483 
1 1 1    2  -17   30 o   47.471   18.764   27.011   32.917   88.709   96.292   18.847   35.027   69.700   30.144   45.230   18.801 24.47041 35.52655 
1 1 1    2  -17   31 o   51.191   19.594   37.475   34.996   57.518   99.882   34.670   37.364   62.531   28.589   50.510   19.983 12.02010 34.88026 
1 1 1    2  -16    0 o  183.851   9.2940  423.781   42.531  419.226   58.977  428.716   61.392  182.495   13.027  184.514   13.416 -2.018875 18.69980 
1 1 1    2  -16    1 o  110.827   8.3342  154.432   22.897  140.291   30.360  173.084   34.867  105.210   11.757  116.951   12.114 -11.74136 16.88140 
1 1 1    2  -16    2 o  157.217   9.1063  310.177   35.598  316.215   48.808  303.314   52.035  158.404   12.439  154.979   13.582 3.425598 18.41741 
1 1 1    2  -16    3 o  606.891   18.893  4635.58  286.321  4561.86  404.275  4709.77  405.566  599.570   27.001  609.337   26.653 -9.767273 37.94052 
1 1 1    2  -16    4 o  310.204   15.755  1211.96  121.643  1385.88  173.100  1042.27  170.978  330.689   21.071  285.873   24.177 44.81567 32.07101 
1 1 1    2  -16    5 o  263.310   10.338  868.266   67.976  850.909   94.441  886.924   97.918  259.875   14.612  265.298   14.840 -5.423218 20.82608 
1 1 1    2  -16    6 o  232.539   9.5820  677.134   55.642  701.907   76.999  650.059   80.496  236.098   13.112  227.002   14.273 9.095383 19.38117 
1 1 1    2  -16    7 o  228.019   8.8187  650.996   50.214  649.869   68.987  652.266   73.230  227.208   12.204  227.512   12.943 -0.3039856 17.78897 
1 1 1    2  -16    8 o  436.116   13.517  2392.71  147.214  2331.31  206.844  2455.74  209.565  428.814   19.316  440.196   19.064 -11.38165 27.13984 
1 1 1    2  -16    9 o  193.238   18.151  477.494   86.562  477.494   86.562   0.0000   0.0000  193.238   18.151  ?   ?  0.000000 18.15110 
1 1 1    2  -16   10 o  347.606   13.587  1523.83  117.939  1665.02  145.158  1249.59  202.302  362.647   16.029  309.527   26.426 53.11954 30.90737 
1 1 1    2  -16   11 o  367.372   14.962  1708.36  137.256  1618.74  168.356  1885.99  237.027  355.646   19.025  380.618   25.078 -24.97177 31.47843 
1 1 1    2  -16   12 o  263.657   11.406  875.684   75.100  953.661   92.814  727.832  127.803  274.652   13.533  236.688   21.870 37.96394 25.71848 
1 1 1    2  -16   13 o  191.415   10.215  462.307   48.652  490.931   60.668  410.729   81.438  196.789   12.409  178.211   18.572 18.57805 22.33643 
1 1 1    2  -16   14 o   68.436   15.028   61.770   24.979  130.837   46.912   34.439   29.510   99.255   19.622   53.770   18.334 45.48478 26.85455 
1 1 1    2  -16   15 o  287.453   12.446  1045.08   89.343  1105.93  110.386  929.520  152.123  294.467   15.062  266.086   23.124 28.38068 27.59673 
1 1 1    2  -16   16 o   95.617   10.913  116.796   25.590  132.388   33.415   94.682   39.795  101.303   13.549   84.111   19.349 17.19260 23.62088 
1 1 1    2  -16   17 f  248.798   11.664  782.519   72.471  829.933   90.174  696.037  121.785  255.092   14.212  230.451   21.407 24.64091 25.69530 
1 1 1    2  -16   18 f  206.126   13.862  542.560   70.938  542.560   70.938   0.0000   0.0000  206.126   13.862  ?   ?  0.000000 13.86197 
1 1 1    2  -16   19 o  154.085   10.779  301.340   41.213  353.105   53.073  222.712   65.410  166.303   12.880  129.273   20.981 37.02988 24.61957 
1 1 1    2  -16   20 o  178.188   10.792  402.833   47.796  433.488   61.253  355.113   76.425  184.087   13.417  164.532   18.947 19.55591 23.21645 
1 1 1    2  -16   21 o  380.245   28.593  1985.27  269.514   0.0000   0.0000  1985.27  269.514  ?   ?   380.245   28.593 0.000000 28.59289 
1 1 1    2  -16   22 o  188.335   14.478  457.402   67.569  457.402   67.569   0.0000   0.0000  188.335   14.478  ?   ?  0.000000 14.47795 
1 1 1    2  -16   23 o  158.157   14.071  323.895   54.992  414.487   95.928  279.551   67.114  174.558   22.533  144.711   19.034 29.84700 29.49610 
1 1 1    2  -16   24 o   69.625   15.776   65.535   26.795   43.678   38.620   85.823   37.208   59.408   20.936   78.895   19.092 -19.48660 28.33421 
1 1 1    2  -16   25 o  174.610   11.130  392.290   48.277  484.028   63.777  269.179   73.881  192.825   13.327  138.533   22.099 54.29277 25.80650 
1 1 1    2  -16   26 o  129.238   12.265  218.385   39.108  272.921   53.466  155.636   57.352  142.952   15.211  103.307   22.838 39.64524 27.44040 
1 1 1    2  -16   27 o   63.169   16.673   56.065   26.685   86.886   40.727   32.879   35.323   76.992   20.724   52.624   19.791 24.36859 28.65654 
1 1 1    2  -16   28 o   79.548   15.466   88.187   29.615  133.471   45.347   54.508   39.107   95.606   19.650   61.662   21.105 33.94420 28.83696 
1 1 1    2  -16   29 o  190.395   12.253  482.701   57.947  538.445   77.283  411.114   87.579  197.117   15.834  165.205   21.758 31.91154 26.90967 
1 1 1    2  -16   30 o   56.222   19.511   45.771   33.470   51.257   94.174   44.978   35.808   65.768   29.087   56.078   20.117 9.689907 35.36601 
1 1 1    2  -16   31 o   60.985   20.066   57.655   35.386  167.894   97.414   40.898   37.981   86.679   32.806   53.983   20.472 32.69594 38.66954 
1 1 1    2  -16   32 o   66.623   20.841   73.137   38.516  141.512  102.330   61.851   41.573   76.652   32.021   61.327   21.710 15.32468 38.68715 
1 1 1    2  -15    0 o  437.366   20.853  2405.58  227.753  2564.26  321.245  2245.22  322.944  449.229   28.788  419.630   31.039 29.59888 42.33363 
1 1 1    2  -15    1 o  355.103   12.065  1578.37  106.986  1439.09  150.521  1720.57  152.093  338.107   17.891  370.361   16.445 -32.25360 24.30092 
1 1 1    2  -15    2 o  263.392   10.031  867.768   65.981  856.045   92.428  879.949   94.220  260.985   14.236  264.606   14.312 -3.620544 20.18657 
1 1 1    2  -15    3 o  289.394   10.426  1047.83   75.347  1007.78  105.658  1089.26  107.481  283.109   14.999  294.770   14.601 -11.66168 20.93221 
1 1 1    2  -15    4 o  235.168   10.075  691.946   59.167  699.421   82.534  684.042   84.864  235.788   14.082  233.099   14.654 2.688675 20.32291 
1 1 1    2  -15    5 o  387.429   13.380  1881.66  129.451  1838.73  182.271  1925.35  183.883  382.194   19.098  391.137   18.826 -8.942841 26.81697 
1 1 1    2  -15    6 o  233.374   12.973  684.993   75.305  862.725  108.661  520.745  104.457  261.417   16.733  202.049   21.010 59.36852 26.85929 
1 1 1    2  -15    7 o  435.807   14.658  2386.02  159.519  2459.43  224.831  2311.60  226.365  441.196   20.407  427.531   21.203 13.66501 29.42767 
1 1 1    2  -15    8 o  133.099   8.7069  222.684   28.780  245.860   38.907  194.678   42.769  139.587   11.257  123.680   14.100 15.90765 18.04240 
1 1 1    2  -15    9 o  250.254   11.468  785.839   71.668  811.301   88.294  736.663  122.704  253.592   13.997  240.125   20.664 13.46674 24.95847 
1 1 1    2  -15   10 o  149.528   9.4618  281.366   35.148  308.071   43.946  233.954   58.556  156.236   11.341  134.833   17.828 21.40294 21.12984 
1 1 1    2  -15   11 o  307.569   23.209  1219.52  176.944  1219.52  176.944   0.0000   0.0000  307.569   23.209  ?   ?  0.000000 23.20888 
1 1 1    2  -15   12 o  206.601   10.688  537.865   54.954  553.405   68.127  508.918   92.980  209.095   13.114  198.997   18.939 10.09729 23.03608 
1 1 1    2  -15   13 o  327.474   13.454  1354.69  110.022  1365.48  135.394  1333.73  188.777  327.382   16.616  320.228   23.777 7.153259 29.00716 
1 1 1    2  -15   14 o  155.280   9.6161  304.176   37.104  343.219   46.789  238.023   60.905  164.643   11.452  135.270   18.516 29.37300 21.77137 
1 1 1    2  -15   15 o  286.883   12.376  1039.61   88.663  1116.58  109.535  893.350  150.996  296.581   14.790  261.177   23.400 35.40405 27.68172 
1 1 1    2  -15   16 o   49.031   15.714   29.982   21.781   51.851   47.538   24.171   24.504   66.300   23.238   46.743   16.655 19.55701 28.59009 
1 1 1    2  -15   17 o  137.883   9.6839  240.419   33.132  321.820   42.799  118.683   52.340  159.398   10.816   93.690   22.626 65.70701 25.07870 
1 1 1    2  -15   18 o  436.076   16.732  2433.30  182.209  2551.95  224.242  2202.75  312.600  444.110   20.220  401.913   31.396 42.19766 37.34320 
1 1 1    2  -15   19 o  213.894   10.553  577.133   56.368  686.585   71.217  393.563   92.230  232.558   12.307  172.562   21.896 59.99600 25.11729 
1 1 1    2  -15   20 o  237.497   20.807  738.871  122.156  738.871  122.156   0.0000   0.0000  237.497   20.807  ?   ?  0.000000 20.80692 
1 1 1    2  -15   21 o  261.465   15.703  878.389  102.051  878.389  102.051   0.0000   0.0000  261.465   15.703  ?   ?  0.000000 15.70257 
1 1 1    2  -15   22 o   47.782   15.626   28.344   21.473   71.443   31.525  -8.9590   29.329   72.989   17.519   36.454   16.172 36.53535 23.84192 
1 1 1    2  -15   23 o  485.340   18.317  3064.96  221.996  3252.91  273.706  2703.62  379.519  495.428   22.123  431.602   35.528 63.82547 41.85336 
1 1 1    2  -15   24 o   82.884   17.055   92.328   34.123  221.678   76.854   60.568   38.082  125.736   25.352   67.262   20.672 58.47429 32.71162 
1 1 1    2  -15   25 o  248.661   11.898  790.964   73.878  886.995   94.127  636.897  119.224  261.474   14.472  215.766   22.456 45.70749 26.71575 
1 1 1    2  -15   26 o  162.714   11.766  341.721   47.488  349.723   62.697  330.953   72.730  162.634   15.630  156.119   19.051 6.515015 24.64204 
1 1 1    2  -15   27 o   47.377   16.475   27.806   23.870   20.951   37.704   32.391   30.837   49.606   19.924   51.698   18.654 -2.091911 27.29369 
1 1 1    2  -15   28 o  177.893   21.858  455.978   95.055  455.978   95.055   0.0000   0.0000  177.893   21.858  ?   ?  0.000000 21.85752 
1 1 1    2  -15   29 o   49.072   17.052   31.446   25.572   2.1389   41.827   48.939   32.315   44.817   19.618   58.807   19.167 -13.98912 27.42646 
1 1 1    2  -15   30 o   44.889   16.859   23.691   25.613 -15.2189   43.256   44.698   31.783   41.095   18.798   56.216   19.028 -15.12042 26.74730 
1 1 1    2  -15   31 o  187.630   15.497  489.907   71.959  607.197  127.256  434.773   87.248  189.777   27.666  169.723   21.036 20.05406 34.75554 
1 1 1    2  -15   32 o   58.955   19.589   52.793   33.697 -85.5916  100.126   70.469   35.784   49.930   24.387   67.205   19.908 -17.27477 31.48120 
1 1 1    2  -15   33 o   53.043   19.505   41.478   33.943   38.214  104.486   41.863   35.890   61.365   28.478   53.390   19.975 7.974941 34.78490 
1 1 1    2  -15   34 o   72.463   31.906  143.177  112.076  143.177  112.076   0.0000   0.0000   72.463   31.906  ?   ?  0.000000 31.90565 
1 1 1    2  -14    0 o  689.632   20.604  5977.95  354.830  5583.21  501.101  6374.92  502.512  663.938   30.224  710.060   28.340 -46.12225 41.43224 
1 1 1    2  -14    1 o  845.638   25.787  9023.53  544.547  8758.88  769.583  9288.89  770.629  828.453   37.199  853.664   36.150 -25.21051 51.87118 
1 1 1    2  -14    2 o  407.465   19.106  2085.36  194.406  1981.69  273.385  2191.41  276.504  394.941   27.899  415.682   26.780 -20.74118 38.67211 
1 1 1    2  -14    3 o   67.503   9.9401   58.209   16.254   59.434   21.331   56.512   25.100   67.756   13.081   65.830   15.522 1.926201 20.29836 
1 1 1    2  -14    4 o  315.849   11.460  1248.49   90.392  1185.16  127.030  1313.45  128.653  306.896   16.638  323.613   15.920 -16.71683 23.02731 
1 1 1    2  -14    5 o  155.883   8.6945  304.778   33.710  328.866   46.411  277.877   49.045  161.678   11.572  148.334   13.385 13.34401 17.69340 
1 1 1    2  -14    6 o  552.645   17.524  3837.41  241.837  3831.97  341.529  3842.88  342.490  550.516   24.843  551.290   24.878 -0.7734375 35.15826 
1 1 1    2  -14    7 o  262.972   14.280  870.005   93.423  961.499  133.879  783.166  130.428  275.618   19.579  248.288   21.241 27.32942 28.88765 
1 1 1    2  -14    8 o  197.263   10.213  488.483   50.137  498.582   61.914  469.246   85.453  199.032   12.521  192.225   18.012 6.807205 21.93639 
1 1 1    2  -14    9 o  281.942   9.7311  995.348   68.513  993.432   95.533  997.376   98.311  281.291   13.600  281.806   13.970 -0.5149536 19.49698 
1 1 1    2  -14   10 o  404.631   15.855  2062.15  160.208  2061.45  196.527  2063.53  276.612  403.668   19.496  400.281   27.846 3.386566 33.99284 
1 1 1    2  -14   11 o  187.603   10.094  442.511   47.112  491.770   58.520  351.779   79.422  197.539   11.919  165.471   19.602 32.06839 22.94104 
1 1 1    2  -14   12 o  510.258   34.788  3449.01  440.630  3449.01  440.630   0.0000   0.0000  510.258   34.788  ?   ?  0.000000 34.78821 
1 1 1    2  -14   13 o   76.082   10.587   74.088   19.570   75.940   25.406   71.386   30.687   76.450   13.817   73.597   17.034 2.853432 21.93310 
1 1 1    2  -14   14 o   92.305   10.072  108.296   22.840  115.594   29.317   97.027   36.429   94.933   12.684   85.837   17.586 9.096420 21.68314 
1 1 1    2  -14   15 o  124.447   9.7867  195.812   30.168  227.574   38.450  144.944   48.660  133.901   11.614  104.878   19.290 29.02314 22.51684 
1 1 1    2  -14   16 o  136.385   10.057  235.218   34.010  243.060   43.207  222.446   55.140  138.152   12.665  130.991   17.279 7.160797 21.42320 
1 1 1    2  -14   17 o  303.861   14.372  1171.45  109.056  1510.51  160.027  877.451  149.017  342.658   18.773  258.742   23.313 83.91626 29.93245 
1 1 1    2  -14   18 o  200.910   10.385  509.786   51.927  586.425   65.558  380.746   85.067  215.055   12.258  170.655   20.364 44.40048 23.76840 
1 1 1    2  -14   19 o  129.297   9.8921  211.690   31.697  295.225   41.726   97.705   48.741  152.588   11.025   85.096   22.568 67.49210 25.11679 
1 1 1    2  -14   20 o  120.733   17.542  190.560   51.341   0.0000   0.0000  190.560   51.341  ?   ?   120.733   17.542 0.000000 17.54221 
1 1 1    2  -14   21 o  188.526   19.157  463.360   88.934  463.360   88.934   0.0000   0.0000  188.526   19.157  ?   ?  0.000000 19.15664 
1 1 1    2  -14   22 o   73.838   13.690   71.461   24.314   99.616   34.407   43.380   34.362   86.806   16.475   59.176   19.786 27.62955 25.74700 
1 1 1    2  -14   23 o  398.915   15.379  2038.12  153.200  2205.99  189.635  1722.70  259.942  412.789   18.397  353.952   29.683 58.83762 34.92174 
1 1 1    2  -14   24 o   36.485   14.653   8.4763   20.390   36.417   31.830 -10.9701   26.555   55.038   19.031   33.853   15.178 21.18523 24.34192 
1 1 1    2  -14   25 o   52.312   16.293   35.421   23.568   56.046   36.373   20.494   30.942   65.020   20.239   47.504   18.361 17.51603 27.32696 
1 1 1    2  -14   26 o  360.077   13.581  1669.18  122.119  1933.83  153.126  1206.75  202.415  385.415   15.910  291.173   28.191 94.24203 32.37082 
1 1 1    2  -14   27 o   47.856   16.312   28.418   23.361   9.1769   37.125   41.031   30.058   45.923   19.244   56.096   18.495 -10.17250 26.69057 
1 1 1    2  -14   28 o   76.264   15.689   79.417   28.883   62.948   42.817   93.168   39.124   67.252   22.069   81.192   19.534 -13.94019 29.47272 
1 1 1    2  -14   29 o  258.973   25.068  997.337  160.088  997.337  160.088   0.0000   0.0000  258.973   25.068  ?   ?  0.000000 25.06821 
1 1 1    2  -14   30 o   34.795   14.492   5.8973   20.871  -2.0567   39.962   8.8805   24.474   42.965   18.978   38.210   15.785 4.754951 24.68444 
1 1 1    2  -14   31 o   52.777   16.692   38.975   24.638   58.317   43.017   29.533   30.057   63.075   22.106   48.996   18.290 14.07901 28.69102 
1 1 1    2  -14   32 o   55.417   17.399   44.239   26.815   9.9771   46.772   61.016   32.729   47.885   20.858   63.882   19.066 -15.99755 28.25884 
1 1 1    2  -14   33 o   86.070   18.880  112.016   39.462  284.019  105.618   84.108   42.543  115.937   34.164   72.280   21.775 43.65750 40.51352 
1 1 1    2  -14   34 o   77.607   19.924   95.855   38.810  205.834  106.660   79.072   41.666   90.470   34.307   68.984   21.693 21.48575 40.58968 
1 1 1    2  -13    0 o  657.683   20.027  5435.28  328.914  5199.85  464.676  5671.68  465.637  641.044   29.028  669.853   27.837 -28.80939 40.21793 
1 1 1    2  -13    1 o  227.146   9.0641  645.052   51.414  564.673   72.064  728.379   73.374  211.910   13.691  240.936   12.235 -29.02567 18.36190 
1 1 1    2  -13    2 o  323.850   11.194  1312.08   90.527  1165.09  127.352  1462.22  128.706  304.336   16.823  341.603   15.088 -37.26691 22.59743 
1 1 1    2  -13    3 o  354.605   17.851  1581.90  157.566  1640.84  221.646  1521.68  224.037  359.929   24.812  346.285   26.100 13.64389 36.01136 
1 1 1    2  -13    4 o  156.927   9.9825  309.216   38.916  331.787   64.667  296.401   48.727  161.868   16.216  153.335   12.844 8.532547 20.68648 
1 1 1    2  -13    5 o  308.935   10.591  1193.91   81.709  1203.47  114.973  1184.16  116.143  309.887   14.857  307.370   15.132 2.517242 21.20625 
1 1 1    2  -13    6 o  321.807   11.788  1296.23   94.732  1323.77  133.379  1268.20  134.573  324.408   16.519  317.434   17.039 6.973938 23.73188 
1 1 1    2  -13    7 o  312.959   11.159  1225.83   87.211  1292.56  122.677  1157.66  124.002  321.028   15.303  303.273   16.435 17.75558 22.45626 
1 1 1    2  -13    8 o  350.641   12.035  1539.83  105.377  1576.70  148.301  1502.24  149.760  354.305   16.762  345.326   17.423 8.979065 24.17664 
1 1 1    2  -13    9 o  104.409   12.868  138.699   32.840  105.262   50.974  162.424   42.938   89.552   22.749  112.658   15.689 -23.10525 27.63429 
1 1 1    2  -13   10 o  339.231   13.580  1444.25  115.043  1517.45  141.390  1300.85  197.893  347.330   16.301  319.068   25.038 28.26144 29.87694 
1 1 1    2  -13   11 o  374.983   14.824  1768.19  138.809  1801.94  170.461  1701.74  239.154  377.897   18.063  364.163   26.480 13.73425 32.05415 
1 1 1    2  -13   12 f  164.682   9.4342  340.865   38.636  378.916   48.297  273.237   64.387  173.436   11.211  145.968   18.049 27.46857 21.24740 
1 1 1    2  -13   13 o  129.951   10.371  213.190   33.374  167.914   41.715  293.709   55.630  114.460   14.952  151.928   14.853 -37.46740 21.07520 
1 1 1    2  -13   14 o  116.858   16.629  176.240   47.156  176.240   47.156   0.0000   0.0000  116.858   16.629  ?   ?  0.000000 16.62866 
1 1 1    2  -13   15 o  255.138   11.554  819.180   73.611  883.735   91.147  698.108  124.824  264.196   13.864  232.296   21.772 31.89984 25.81142 
1 1 1    2  -13   16 o  210.180   10.653  557.083   55.728  589.380   69.475  498.808   93.324  215.700   12.958  196.621   19.254 19.07919 23.20854 
1 1 1    2  -13   17 f  328.044   13.238  1360.41  108.446  1450.76  133.883  1188.01  184.931  337.855   15.869  301.042   24.821 36.81259 29.46026 
1 1 1    2  -13   18 o  237.900   10.622  712.703   63.102  835.816   79.210  498.845  104.397  257.251   12.330  195.329   21.773 61.92242 25.02231 
1 1 1    2  -13   19 o   33.958   13.015   9.9319   15.454   3.4584   23.146   15.139   20.759   36.412   15.222   40.191   15.160 -3.779163 21.48333 
1 1 1    2  -13   20 o  103.252   11.517  136.196   29.190  116.820   38.682  161.823   44.486   94.231   17.067  111.470   16.478 -17.23909 23.72355 
1 1 1    2  -13   21 o  277.754   12.094  975.546   83.887  1061.11  104.810  823.044  139.925  288.504   14.595  250.331   22.628 38.17230 26.92696 
1 1 1    2  -13   22 o   86.112   11.948   95.514   25.000  158.179   35.203   31.753   35.510  110.987   12.945   54.494   19.963 56.49324 23.79254 
1 1 1    2  -13   23 o  433.422   31.826  2587.76  342.055  2587.76  342.055   0.0000   0.0000  433.422   31.826  ?   ?  0.000000 31.82596 
1 1 1    2  -13   24 o   82.712   13.414   89.139   26.758  114.869   38.672   65.508   37.061   93.094   17.271   70.046   20.123 23.04771 26.51868 
1 1 1    2  -13   25 o  171.580   10.952  374.246   46.681  456.407   62.042  267.048   70.868  188.805   13.243  141.457   20.672 47.34760 24.55007 
1 1 1    2  -13   26 o  191.052   11.167  465.047   53.046  535.750   69.471  366.183   82.151  204.100   13.710  165.617   20.288 38.48305 24.48583 
1 1 1    2  -13   27 o  154.830   13.527  310.469   51.775  503.995   97.558  234.592   61.087  193.450   20.508  132.053   19.078 61.39708 28.00939 
1 1 1    2  -13   28 o  111.600   11.739  161.381   32.223  252.384   47.952   86.446   43.513  138.853   14.021   78.298   21.567 60.55486 25.72409 
1 1 1    2  -13   29 o  192.995   10.751  479.413   51.606  622.837   69.360  301.557   77.238  218.755   12.752  146.167   21.830 72.58775 25.28155 
1 1 1    2  -13   30 o  134.912   12.179  238.728   40.590  262.649   56.320  212.876   58.549  138.847   16.571  122.739   19.774 16.10867 25.79944 
1 1 1    2  -13   31 o   37.901   15.050   12.255   21.267   14.579   38.081   11.201   25.637   46.826   19.545   39.814   16.268 7.011620 25.42998 
1 1 1    2  -13   32 o   29.207   13.057  -5.7829   19.499   33.467   41.782 -16.7117   22.047   53.771   21.176   27.988   13.020 25.78228 24.85835 
1 1 1    2  -13   33 o   36.341   15.184   7.2998   23.012   14.308   45.182   4.8451   26.740   48.520   20.813   37.564   16.060 10.95588 26.28845 
1 1 1    2  -13   34 o   44.006   17.406   20.876   28.342   17.152   97.292   21.221   29.627   60.406   27.837   44.598   17.746 15.80740 33.01245 
1 1 1    2  -13   35 o   92.574   19.428  133.042   43.480  225.518  113.519  117.143   47.069   93.243   35.384   84.043   22.125 9.199776 41.73204 
1 1 1    2  -12    0 o   66.421   11.511   56.795   18.401   52.711   25.624   61.143   26.440   63.610   16.113   68.473   15.786 -4.862358 22.55767 
1 1 1    2  -12    1 o  270.564   10.307  915.646   69.640  864.656   98.069  967.511   98.907  262.236   15.039  277.528   14.320 -15.29221 20.76608 
1 1 1    2  -12    2 o  314.804   11.002  1239.79   86.489  1099.85  121.750  1382.34  122.886  295.687   16.555  332.148   14.816 -36.46152 22.21659 
1 1 1    2  -12    3 o  246.123   9.3948  757.402   57.742  729.992   81.153  785.507   82.175  241.072   13.535  250.133   13.203 -9.061371 18.90800 
1 1 1    2  -12    4 o  876.987   26.399  9707.40  578.133  9247.76  816.932 10168.56  818.277  850.858   38.448  893.114   36.690 -42.25531 53.14514 
1 1 1    2  -12    5 o  192.458   13.612  466.129   64.996  540.903   89.668  383.346   94.348  206.907   17.519  173.141   22.343 33.76602 28.39198 
1 1 1    2  -12    6 o  327.449   11.364  1341.57   92.925  1330.70  130.906  1352.62  131.930  325.778   16.091  328.451   16.085 -2.673676 22.75206 
1 1 1    2  -12    7 o  253.030   9.8023  800.703   61.937  774.304   86.810  828.074   88.395  248.217   14.063  256.742   13.839 -8.525162 19.72999 
1 1 1    2  -12    8 o  334.587   11.500  1401.12   96.081  1337.13  135.048  1466.72  136.726  326.012   16.644  341.946   16.012 -15.93423 23.09545 
1 1 1    2  -12    9 o  258.484   10.051  835.911   64.877  799.728   90.702  873.817   92.836  252.147   14.465  263.645   14.153 -11.49754 20.23723 
1 1 1    2  -12   10 o  279.415   14.279  981.808   99.299  1147.32  142.932  827.393  138.056  301.308   19.095  255.143   21.880 46.16460 29.04035 
1 1 1    2  -12   11 o  339.337   13.175  1444.28  111.647  1475.35  137.299  1383.61  191.826  342.594   16.049  329.728   23.450 12.86642 28.41575 
1 1 1    2  -12   12 o  377.782   14.876  1794.01  140.335  1815.53  172.346  1751.68  241.753  379.411   18.190  369.781   26.353 9.630249 32.02129 
1 1 1    2  -12   13 o  555.602   19.714  3908.04  273.519  4148.03  335.690  3433.99  471.789  570.733   23.553  510.722   37.249 60.01056 44.07119 
1 1 1    2  -12   14 o   91.636   10.244  106.606   23.042  101.690   29.786  113.931   36.360   88.852   13.878   93.729   16.116 -4.876411 21.26773 
1 1 1    2  -12   15 o  275.093   21.649  972.286  147.518  972.286  147.518   0.0000   0.0000  275.093   21.649  ?   ?  0.000000 21.64913 
1 1 1    2  -12   16 o  156.973   10.673  311.056   41.591  278.191   52.176  368.333   68.879  147.739   14.322  169.693   16.462 -21.95467 21.82003 
1 1 1    2  -12   17 o  226.590   10.796  645.824   61.089  695.330   76.171  556.581  102.270  234.362   13.067  207.628   19.971 26.73325 23.86631 
1 1 1    2  -12   18 o  212.105   10.997  567.900   58.048  574.668   72.564  555.873   96.735  212.726   13.733  207.668   18.859 5.058044 23.32965 
1 1 1    2  -12   19 o  261.136   21.151  884.634  136.741   0.0000   0.0000  884.634  136.741  ?   ?   261.136   21.151 0.000000 21.15088 
1 1 1    2  -12   20 f  287.226   23.967  1082.44  170.337  1082.44  170.337   0.0000   0.0000  287.226   23.967  ?   ?  0.000000 23.96733 
1 1 1    2  -12   21 o  189.479   10.230  453.369   48.226  527.108   61.642  337.017   77.430  203.893   12.162  160.689   19.710 43.20378 23.15985 
1 1 1    2  -12   22 o   95.231   11.049  115.891   25.787  165.768   36.278   64.957   36.661  113.701   13.011   70.031   19.981 43.66965 23.84408 
1 1 1    2  -12   23 o  156.640   11.159  311.280   43.363  297.171   56.413  331.653   67.791  152.041   15.056  160.015   17.237 -7.973633 22.88711 
1 1 1    2  -12   24 o  130.171   19.375  223.345   61.059  223.345   61.059   0.0000   0.0000  130.171   19.375  ?   ?  0.000000 19.37453 
1 1 1    2  -12   25 o  157.640   10.347  315.013   40.505  405.723   55.002  207.526   59.872  178.433   12.421  125.057   19.834 53.37531 23.40240 
1 1 1    2  -12   26 o   39.542   14.893   15.007   20.016   40.328   34.029   1.6107   24.751   57.517   19.687   36.676   15.559 20.84076 25.09299 
1 1 1    2  -12   27 o   22.479   10.637 -18.2969   15.830   5.2273   28.872 -28.4084   18.929   40.568   16.983   23.031   11.094 17.53681 20.28590 
1 1 1    2  -12   28 o   75.390   17.255   77.119   31.783  198.523   85.530   57.670   34.234  116.041   29.463   65.340   19.499 50.70153 35.33065 
1 1 1    2  -12   29 o  112.046   11.512  162.395   31.752  260.675   47.219   81.269   42.900  141.378   13.540   76.050   21.586 65.32817 25.48114 
1 1 1    2  -12   30 o  144.510   11.063  269.805   39.619  367.415   55.989  171.913   56.070  167.451   13.504  110.227   21.139 57.22351 25.08445 
1 1 1    2  -12   31 o   89.424   13.572  107.091   29.355  160.271   45.935   70.379   38.166  107.492   17.731   69.906   20.519 37.58566 27.11871 
1 1 1    2  -12   32 o   65.406   23.959   60.029   51.148   60.029   51.148   0.0000   0.0000   65.406   23.959  ?   ?  0.000000 23.95911 
1 1 1    2  -12   33 o   59.883   16.770   51.182   26.075   81.354   45.365   36.295   31.865   72.792   22.594   52.573   18.964 20.21906 29.49730 
1 1 1    2  -12   34 o   38.358   15.541   11.894   23.155   24.259   44.768   7.3775   27.055   51.217   21.269   38.659   16.326 12.55721 26.81249 
1 1 1    2  -12   35 o   98.602   18.074  143.417   42.864  262.363  110.741  122.457   46.487  108.563   35.486   88.212   21.336 20.35106 41.40641 
1 1 1    2  -12   36 o   74.412   19.776   87.649   37.376  341.274  113.426   56.755   39.587  122.982   35.166   59.917   21.188 63.06431 41.05581 
1 1 1    2  -11    0 o   80.551   7.3025   81.770   14.529   73.984   19.979   90.510   21.168   76.130   10.813   84.433   10.250 -8.302780 14.89889 
1 1 1    2  -11    1 o   85.487   11.080   92.982   23.097  121.522   32.568   64.104   32.761   97.529   13.754   70.165   18.452 27.36414 23.01379 
1 1 1    2  -11    2 o  483.646   15.285  2932.65  184.606  2790.87  260.691  3075.27  261.456  470.743   22.176  494.334   21.180 -23.59085 30.66574 
1 1 1    2  -11    3 o  173.805   7.8828  377.569   34.213  241.839   47.643  522.098   49.163  138.247   13.993  204.329   9.6351 -66.08244 16.98939 
1 1 1    2  -11    4 o  317.920   10.676  1264.28   84.757  1155.15  119.412  1375.08  120.323  303.151   15.829  331.301   14.544 -28.14957 21.49581 
1 1 1    2  -11    5 o  179.186   8.0820  401.298   36.164  225.331   50.174  591.546   52.171  133.220   15.364  217.507   9.6051 -84.28627 18.11904 
1 1 1    2  -11    6 o  684.731   21.081  5894.31  360.459  5793.46  509.446  5995.40  510.086  676.437   30.159  688.277   29.678 -11.83942 42.31242 
1 1 1    2  -11    7 o  470.278   20.526  2779.69  241.056  2400.41  338.638  3169.29  343.217  434.014   31.459  500.097   27.590 -66.08301 41.84298 
1 1 1    2  -11    8 o  682.572   19.688  5854.04  335.578  5721.45  474.056  5987.23  475.104  672.571   28.225  688.194   27.646 -15.62347 39.50899 
1 1 1    2  -11    9 o  151.321   9.1162  287.352   34.287  287.650   47.471  287.027   49.576  151.041   12.704  150.806   13.301 0.2349396 18.39281 
1 1 1    2  -11   10 f  100.425   8.3151  126.950   20.665  110.985   27.924  146.281   30.726   93.351   12.276  107.477   11.634 -14.12589 16.91335 
1 1 1    2  -11   11 o  543.628   19.667  3720.45  266.994  3923.98  327.515  3317.21  460.999  557.316   23.533  507.011   36.658 50.30548 43.56161 
1 1 1    2  -11   12 o  454.140   20.953  2603.23  237.621  2744.88  337.753  2464.40  334.368  463.064   29.360  438.147   30.755 24.91696 42.51925 
1 1 1    2  -11   13 o  173.611   10.238  378.784   44.191  370.061   55.087  394.531   74.014  171.254   12.978  176.216   17.032 -4.961929 21.41283 
1 1 1    2  -11   14 o  201.813   10.542  511.849   52.945  539.649   65.868  461.093   89.001  206.924   12.810  190.084   19.005 16.84030 22.91887 
1 1 1    2  -11   15 o   80.442   10.063   82.379   19.772  114.227   26.269   40.757   30.030   94.737   11.328   57.442   18.456 37.29478 21.65497 
1 1 1    2  -11   16 o   94.529   9.9430  113.318   23.119  123.685   30.222   98.692   35.897   98.374   12.591   86.831   17.163 11.54251 21.28679 
1 1 1    2  -11   17 f  355.626   25.854  1644.86  228.031  1644.86  228.031   0.0000   0.0000  355.626   25.854  ?   ?  0.000000 25.85427 
1 1 1    2  -11   18 o  347.698   13.832  1527.37  120.099  1591.74  148.195  1404.18  204.994  353.978   16.765  328.099   25.213 25.87939 30.27793 
1 1 1    2  -11   19 o  321.855   16.322  1319.84  130.757  1319.84  130.757   0.0000   0.0000  321.855   16.322  ?   ?  0.000000 16.32218 
1 1 1    2  -11   20 o  228.178   11.481  657.848   65.209  649.455   81.468  672.812  108.784  225.917   14.518  228.363   19.256 -2.445496 24.11517 
1 1 1    2  -11   21 o  105.083   13.475  141.956   34.545  159.881   62.595  134.105   41.425  108.923   23.688  101.249   16.986 7.674438 29.14822 
1 1 1    2  -11   22 o  232.063   11.133  679.018   64.515  729.434   81.188  592.635  106.272  239.575   13.627  213.591   20.163 25.98404 24.33595 
1 1 1    2  -11   23 o  259.967   11.742  853.466   76.225  911.792   95.749  752.537  125.953  267.584   14.382  240.236   21.213 27.34758 25.62886 
1 1 1    2  -11   24 o   67.789   13.591   60.301   22.206   43.652   33.213   73.760   29.862   59.181   19.438   74.584   16.473 -15.40288 25.47923 
1 1 1    2  -11   25 o  172.921   14.693  383.430   62.848  383.430   62.848   0.0000   0.0000  172.921   14.693  ?   ?  0.000000 14.69346 
1 1 1    2  -11   26 o   87.921   12.466   99.883   26.603  156.616   40.123   55.376   35.538  109.801   15.028   65.080   19.964 44.72138 24.98790 
1 1 1    2  -11   27 o  196.294   10.663  488.733   52.074  582.361   68.606  361.475   79.984  213.567   12.925  165.491   19.744 48.07680 23.59841 
1 1 1    2  -11   28 o  116.587   11.736  174.484   33.703  190.667   47.568  158.170   47.759  120.505   16.219  108.882   18.208 11.62321 24.38428 
1 1 1    2  -11   29 o  187.802   10.989  450.431   51.312  534.019   68.708  345.023   77.156  203.363   13.608  160.303   19.688 43.05978 23.93339 
1 1 1    2  -11   30 o  203.599   11.339  532.175   57.419  625.646   76.655  412.681   86.671  219.215   14.077  173.974   20.333 45.24033 24.73095 
1 1 1    2  -11   31 o  174.405   11.383  393.039   49.303  474.360   67.360  299.207   72.356  189.862   14.313  146.790   20.281 43.07225 24.82279 
1 1 1    2  -11   32 o   68.596   15.442   64.922   25.814  127.542   44.397   32.940   31.729   94.754   19.416   51.896   18.892 42.85816 27.08993 
1 1 1    2  -11   33 o  114.688   24.552  201.546   68.194  201.546   68.194   0.0000   0.0000  114.688   24.552  ?   ?  0.000000 24.55180 
1 1 1    2  -11   34 o   54.515   16.861   41.706   25.289   91.493   47.533   22.049   29.868   76.896   22.983   45.914   17.958 30.98174 29.16658 
1 1 1    2  -11   35 o   85.567   15.549  102.995   32.001  146.302   54.017   79.576   39.723   96.691   22.751   72.078   20.870 24.61368 30.87342 
1 1 1    2  -11   36 o  123.670   13.418  209.546   40.773  319.081   65.440  140.041   52.128  147.846   18.103   93.416   22.593 54.42956 28.95118 
1 1 1    2  -11   37 o   95.797   18.917  140.441   43.648  309.551  118.260  113.771   46.964  111.881   36.676   82.801   22.241 29.07982 42.89240 
1 1 1    2  -10    0 o  437.057   14.181  2397.93  154.769  2372.37  218.723  2423.57  219.031  433.523   20.204  438.220   20.015 -4.697052 28.43950 
1 1 1    2  -10    1 o   89.008   7.6218   99.783   16.778  108.396   23.330   90.558   24.145   92.491   10.275   84.209   11.806 8.281876 15.65122 
1 1 1    2  -10    2 o  315.469   11.231  1245.98   88.474  1237.33  124.912  1254.69  125.331  313.532   16.007  315.740   15.947 -2.207825 22.59543 
1 1 1    2  -10    3 o  391.324   18.431  1924.42  180.109  2135.72  255.236  1714.84  254.193  410.401   25.024  366.852   27.958 43.54828 37.52149 
1 1 1    2  -10    4 o  393.393   13.006  1937.98  127.770  1881.21  180.395  1995.13  180.993  386.987   18.667  398.594   18.184 -11.60629 26.05969 
1 1 1    2  -10    5 o  725.046   22.201  6616.32  401.973  6515.25  568.216  6717.56  568.736  716.516   31.757  727.725   31.296 -11.20856 44.58649 
1 1 1    2  -10    6 o  571.727   17.546  4100.82  250.512  3855.93  353.818  4346.99  354.738  552.905   25.626  587.381   24.185 -34.47601 35.23602 
1 1 1    2  -10    7 o  318.404   10.717  1268.06   85.211  1212.12  120.040  1324.88  120.979  311.008   15.456  325.193   14.898 -14.18539 21.46701 
1 1 1    2  -10    8 f  381.921   17.492  1829.81  166.826  1605.06  233.682  2063.42  238.238  355.670   26.501  404.099   23.713 -48.42975 35.56079 
1 1 1    2  -10    9 o  717.339   21.358  6471.38  382.596  6244.03  540.545  6699.62  541.601  701.899   30.839  727.407   29.816 -25.50867 42.89606 
1 1 1    2  -10   10 o  172.731   8.3461  372.964   36.000  380.150   50.060  365.268   51.808  173.909   11.594  170.387   12.258 3.521576 16.87217 
1 1 1    2  -10   11 o  204.708   11.077  525.920   56.413  498.895   69.580  577.763   96.370  199.038   14.090  213.702   18.233 -14.66377 23.04284 
1 1 1    2  -10   12 o  222.440   10.672  619.238   59.278  642.226   73.331  575.894  100.694  226.029   13.047  213.130   19.123 12.89844 23.14997 
1 1 1    2  -10   13 o  291.549   15.274  1070.08  110.818  1135.77  159.470  1008.73  154.107  299.217   21.485  281.771   22.078 17.44644 30.80697 
1 1 1    2  -10   14 o  239.243   10.825  717.005   64.675  764.087   80.175  629.294  109.432  246.446   13.074  222.408   19.914 24.03868 23.82276 
1 1 1    2  -10   15 o   96.086   9.4034  116.711   22.274  138.195   29.253   87.075   34.358  104.366   11.410   81.580   17.397 22.78578 20.80471 
1 1 1    2  -10   16 o  176.986   10.058  393.918   44.270  419.330   55.555  349.710   73.275  182.316   12.274  165.361   18.037 16.95474 21.81738 
1 1 1    2  -10   17 o  249.847   11.219  783.978   69.994  837.290   86.903  685.527  118.095  257.509   13.562  231.162   20.676 26.34706 24.72733 
1 1 1    2  -10   19 o  313.591   12.935  1240.32  101.290  1285.38  125.024  1154.25  172.791  318.474   15.721  298.315   23.382 20.15936 28.17571 
1 1 1    2  -10   20 o  319.529   13.457  1290.03  107.372  1295.99  132.586  1278.66  183.023  318.837   16.711  313.540   23.548 5.296387 28.87439 
1 1 1    2  -10   21 o  293.506   11.922  1086.36   87.379  1210.86  108.759  859.683  146.753  309.263   14.083  256.681   23.144 52.58212 27.09186 
1 1 1    2  -10   22 o  124.963   10.560  197.956   32.646  193.228   43.029  204.370   50.113  122.679   14.315  125.707   16.351 -3.027611 21.73174 
1 1 1    2  -10   23 o   84.102   14.158   92.021   28.678  170.087   62.577   71.268   32.265  112.558   23.039   73.231   17.814 39.32656 29.12300 
1 1 1    2  -10   24 o  208.735   10.782  550.553   56.010  597.393   71.411  475.677   90.289  216.812   13.253  191.501   19.137 25.31139 23.27795 
1 1 1    2  -10   25 o  164.393   9.9751  341.523   40.756  434.849   54.459  222.702   61.448  185.148   11.841  130.158   19.506 54.99019 22.81885 
1 1 1    2  -10   26 o  108.730   11.041  150.738   29.563  192.932   42.438  110.960   41.206  122.424   14.142   91.272   18.707 31.15173 23.45109 
1 1 1    2  -10   27 o  102.174   20.801  140.380   51.269  140.380   51.269   0.0000   0.0000  102.174   20.801  ?   ?  0.000000 20.80096 
1 1 1    2  -10   28 o  218.677   10.892  605.106   59.477  716.161   77.869  449.590   92.148  236.811   13.221  184.524   20.336 52.28702 24.25529 
1 1 1    2  -10   29 o  120.436   11.532  185.921   34.260  223.741   49.692  151.656   47.299  130.951   15.496  106.477   18.458 24.47395 24.10023 
1 1 1    2  -10   30 o   41.740   14.891   19.699   19.594   50.044   37.532   8.3289   22.974   62.150   20.675   37.943   15.440 24.20744 25.80441 
1 1 1    2  -10   31 o  247.526   14.746  800.282   90.734  1021.25  147.466  665.665  115.101  272.812   21.829  220.610   21.152 52.20177 30.39599 
1 1 1    2  -10   32 o  132.788   11.667  228.906   38.296  283.746   55.811  180.113   52.644  145.892   15.559  114.026   19.168 31.86561 24.68838 
1 1 1    2  -10   33 o   61.406   16.319   52.448   25.452   76.418   43.466   39.941   31.398   72.409   22.054   55.041   18.909 17.36757 29.05002 
1 1 1    2  -10   34 f   38.714   15.521   12.045   22.834   26.532   43.766   6.6275   26.765   52.767   21.370   38.747   16.293 14.01998 26.87285 
1 1 1    2  -10   35 o   41.863   16.041   18.629   23.471   24.146   47.687   16.866   26.963   52.793   21.940   42.610   16.938 10.18280 27.71735 
1 1 1    2  -10   36 o   58.801   17.448   50.087   27.470  129.607   53.674   21.868   31.974   90.154   23.575   46.254   18.426 43.89984 29.92134 
1 1 1    2  -10   37 o   64.983   18.090   63.311   30.436   79.873   58.444   57.148   35.652   69.246   25.572   61.271   20.140 7.975033 32.55045 
1 1 1    2  -10   38 o  129.490   16.692  244.679   52.718  532.507  129.842  187.865   57.686  161.904   33.228  107.532   22.217 54.37236 39.97178 
1 1 1    2   -9    0 o  314.828   11.310  1242.63   88.917  1249.46  125.643  1235.78  125.854  314.643   16.044  312.887   16.163 1.756531 22.77376 
1 1 1    2   -9    1 o  213.488   8.7706  570.408   46.758  541.505   65.917  599.679   66.336  207.347   12.793  218.320   12.217 -10.97345 17.68917 
1 1 1    2   -9    2 o  352.915   12.282  1561.63  108.239  1610.33  152.990  1512.83  153.156  357.671   17.129  346.122   17.780 11.54843 24.68836 
1 1 1    2   -9    3 o  417.128   13.868  2182.60  144.456  2187.40  204.142  2177.80  204.442  416.620   19.622  415.691   19.695 0.9295654 27.80108 
1 1 1    2   -9    4 o  194.268   12.487  474.690   60.258  466.778   85.465  482.511   84.972  191.867   18.050  195.168   17.625 -3.301926 25.22763 
1 1 1    2   -9    5 o  596.297   18.764  4468.07  279.414  4299.38  394.812  4637.35  395.492  582.913   27.123  605.674   26.149 -22.76044 37.67492 
1 1 1    2   -9    6 f  345.907   12.115  1497.62  104.645  1498.69  147.819  1496.54  148.161  345.610   17.128  345.356   17.180 0.2538757 24.25894 
1 1 1    2   -9    7 o  245.368   9.6645  752.819   59.217  726.807   83.424  779.237   84.072  240.500   13.951  249.092   13.567 -8.592346 19.45971 
1 1 1    2   -9    8 o  325.168   11.788  1322.97   95.721  1197.19  134.938  1450.37  135.807  308.432   17.592  340.165   15.988 -31.73245 23.77173 
1 1 1    2   -9    9 o  570.593   18.178  4085.41  259.015  4122.30  366.166  4048.46  366.438  571.759   25.646  566.559   25.900 5.199951 36.44895 
1 1 1    2   -9   10 o  199.915   11.726  501.787   58.281  393.093   78.199  637.603   87.413  176.084   18.039  225.013   15.654 -48.92859 23.88405 
1 1 1    2   -9   11 f  166.310   9.6472  347.033   39.894  371.798   49.552  301.408   67.257  171.984   11.606  153.959   17.823 18.02477 21.26881 
1 1 1    2   -9   12 o  266.920   12.403  891.994   82.672  827.578  101.651  1017.85  142.085  256.386   15.956  283.797   20.180 -27.41058 25.72628 
1 1 1    2   -9   13 o  475.662   17.304  2841.75  205.543  3027.61  252.354  2475.42  354.287  490.366   20.608  439.557   32.507 50.80948 38.48921 
1 1 1    2   -9   14 o  117.654   9.4772  174.312   27.608  181.871   35.237  162.294   44.431  119.906   11.926  112.521   16.286 7.384644 20.18592 
1 1 1    2   -9   15 o  427.673   18.335  2304.70  195.817  2780.83  280.097  1849.52  273.862  467.655   24.066  379.466   29.123 88.18893 37.77995 
1 1 1    2   -9   16 o  205.596   10.806  531.227   55.283  529.833   68.786  533.770   92.906  204.951   13.516  204.849   18.357 0.1024170 22.79568 
1 1 1    2   -9   17 o  255.611   11.890  820.241   75.896  793.542   94.021  870.177  128.583  250.559   15.097  261.294   19.855 -10.73564 24.94258 
1 1 1    2   -9   18 o  192.025   12.997  466.037   61.958  466.037   61.958   0.0000   0.0000  192.025   12.997  ?   ?  0.000000 12.99738 
1 1 1    2   -9   19 o  242.349   14.112  743.519   85.038  743.519   85.038   0.0000   0.0000  242.349   14.112  ?   ?  0.000000 14.11249 
1 1 1    2   -9   20 o  109.378   10.191  151.580   27.514  145.128   36.399  160.181   42.025  106.296   14.058  111.443   15.522 -5.146851 20.94191 
1 1 1    2   -9   21 o  127.065   10.930  204.617   34.344  159.230   44.273  273.198   54.421  110.810   16.503  146.092   15.137 -35.28235 22.39372 
1 1 1    2   -9   22 o  329.690   12.992  1372.97  106.962  1492.62  132.611  1150.20  180.949  342.925   15.486  296.456   24.666 46.46927 29.12450 
1 1 1    2   -9   23 o  381.982   14.198  1848.53  135.432  2025.75  167.508  1514.02  230.137  398.710   16.824  338.117   27.495 60.59293 32.23347 
1 1 1    2   -9   24 o  122.761   12.836  192.507   38.769  257.281   70.797  164.764   46.333  139.867   20.912  112.463   17.031 27.40324 26.96948 
1 1 1    2   -9   25 o  171.118   10.160  369.865   43.220  434.546   56.775  280.725   66.651  185.039   12.358  146.877   18.588 38.16212 22.32125 
1 1 1    2   -9   26 o  152.106   10.376  292.806   39.177  328.139   52.204  247.249   59.278  160.439   13.145  137.907   17.616 22.53198 21.97972 
1 1 1    2   -9   27 o  122.465   10.282  190.334   31.154  278.938   44.574  105.717   43.559  148.003   12.168   88.752   20.118 59.25109 23.51185 
1 1 1    2   -9   28 o   98.790   21.401  131.816   51.268  131.816   51.268   0.0000   0.0000   98.790   21.401  ?   ?  0.000000 21.40073 
1 1 1    2   -9   29 o  108.487   11.332  150.630   30.245  221.840   45.413   93.865   40.546  131.125   14.090   83.296   19.786 47.82902 24.29040 
1 1 1    2   -9   30 o   99.317   12.103  127.330   29.397  176.119   45.474   92.303   38.531  115.742   16.176   82.440   19.092 33.30167 25.02301 
1 1 1    2   -9   31 o   69.496   14.712   64.617   24.736   96.680   41.994   47.582   30.609   83.650   20.307   59.890   18.554 23.75989 27.50698 
1 1 1    2   -9   32 o   44.996   16.365   22.737   23.801   39.140   83.959   21.303   24.819   69.673   29.047   44.706   16.633 24.96729 33.47222 
1 1 1    2   -9   33 o   71.782   15.086   70.102   26.184  100.878   45.687   55.049   31.952   83.700   21.684   63.043   18.843 20.65702 28.72717 
1 1 1    2   -9   34 o   28.993   12.916  -5.7296   18.902   1.0491   41.111  -7.5466   21.285   44.819   19.538   30.314   13.590 14.50511 23.79978 
1 1 1    2   -9   35 o   37.417   15.165   10.088   22.060   24.939   46.216   5.7063   25.105   53.098   21.786   37.447   15.765 15.65115 26.89223 
1 1 1    2   -9   36 o   54.088   23.397   16.427   58.033   16.427   58.033   0.0000   0.0000   54.088   23.397  ?   ?  0.000000 23.39675 
1 1 1    2   -9   37 o   58.340   17.645   49.293   27.895  150.978   58.088   18.815   31.802   97.099   24.075   45.045   18.226 52.05392 30.19605 
1 1 1    2   -9   38 o   54.547   18.586   43.093   30.328   18.600   59.933   51.523   35.163   53.249   23.391   58.684   20.013 -5.435162 30.78404 
1 1 1    2   -8    0 o  563.413   25.211  4044.86  354.711  3672.59  500.965  4419.13  502.311  528.844   38.191  582.795   34.671 -53.95142 51.58146 
1 1 1    2   -8    1 o  179.100   8.2717  401.411   36.995  387.335   52.161  415.658   52.478  175.311   11.987  181.685   11.628 -6.373230 16.69975 
1 1 1    2   -8    2 o  445.103   14.687  2490.93  163.246  2467.17  230.740  2514.73  230.990  441.401   20.933  445.688   20.754 -4.286957 29.47796 
1 1 1    2   -8    3 o  330.233   11.685  1367.28   96.361  1370.03  136.139  1364.51  136.412  329.467   16.600  328.786   16.669 0.6811218 23.52509 
1 1 1    2   -8    4 o  112.579   7.0260  159.072   19.654  150.675   27.460  167.891   28.142  109.230   10.184  115.390   9.8610 -6.159615 14.17611 
1 1 1    2   -8    5 o  321.332   10.960  1292.74   87.948  1275.26  124.205  1310.33  124.549  318.706   15.606  323.078   15.438 -4.372040 21.95168 
1 1 1    2   -8    6 o  117.166   11.284  173.403   32.606  145.592   46.804  199.627   45.449  106.160   18.317  125.320   14.809 -19.15964 23.55475 
1 1 1    2   -8    7 o  959.406   29.056 11657.64  696.117 11663.94  984.375 11651.34  984.542  952.767   41.374  952.233   41.404 0.5343628 58.53247 
1 1 1    2   -8    8 o  715.322   21.747  6436.31  388.473  6342.57  549.168  6530.19  549.601  707.379   31.089  717.913   30.657 -10.53455 43.66162 
1 1 1    2   -8    9 o  357.201   12.460  1596.83  111.141  1576.57  156.959  1617.20  157.396  354.058   17.809  359.061   17.554 -5.002808 25.00629 
1 1 1    2   -8   10 o  968.272   29.180 11854.25  705.550 11932.09  997.800 11776.41  997.796  965.364   41.391  958.884   41.670 6.479614 58.73315 
1 1 1    2   -8   11 o  508.958   33.435  3302.54  422.585  3302.54  422.585   0.0000   0.0000  508.958   33.435  ?   ?  0.000000 33.43521 
1 1 1    2   -8   12 o  559.420   20.473  3933.56  286.002  3976.81  350.589  3847.53  494.500  561.573   25.000  548.253   36.325 13.31976 44.09632 
1 1 1    2   -8   13 o  521.045   19.523  3412.07  254.017  3228.18  311.188  3779.27  439.740  505.832   24.636  544.308   32.500 -38.47687 40.78223 
1 1 1    2   -8   14 o  320.661   12.872  1287.97  103.073  1383.43  126.935  1103.20  176.603  332.111   15.306  294.615   24.219 37.49561 28.64986 
1 1 1    2   -8   15 o  498.676   18.197  3128.33  226.603  3298.18  278.192  2793.44  390.637  511.205   21.792  465.854   33.810 45.35089 40.22416 
1 1 1    2   -8   16 o  519.492   23.944  3421.62  310.619  3395.00  440.847  3447.88  437.733  512.160   34.673  516.429   34.135 -4.268188 48.65668 
1 1 1    2   -8   17 o  413.745   28.529  2202.76  292.962   0.0000   0.0000  2202.76  292.962  ?   ?   413.745   28.529 0.000000 28.52920 
1 1 1    2   -8   18 o  179.516   9.3980  404.827   41.983  476.935   53.081  284.356   68.611  194.690   10.963  148.756   18.896 45.93433 21.84614 
1 1 1    2   -8   19 o  297.618   11.804  1112.97   87.727  1227.78  108.689  898.359  148.599  312.204   13.941  264.238   22.742 47.96643 26.67463 
1 1 1    2   -8   20 o  133.084   9.3291  223.232   30.808  265.315   39.961  161.565   48.373  144.880   11.130  111.468   17.991 33.41233 21.15546 
1 1 1    2   -8   21 o   67.325   17.977   59.677   30.792   59.677   30.792   0.0000   0.0000   67.325   17.977  ?   ?  0.000000 17.97690 
1 1 1    2   -8   22 o  244.579   11.592  753.304   70.796  758.947   88.303  743.148  118.454  244.487   14.529  240.174   19.930 4.313461 24.66377 
1 1 1    2   -8   23 o  121.225   10.149  186.036   30.441  185.837   40.423  186.298   46.267  120.492   13.677  120.157   15.803 0.3348999 20.89943 
1 1 1    2   -8   24 o  136.777   10.186  236.586   34.541  241.345   45.647  230.210   52.835  137.510   13.466  133.628   16.162 3.882324 21.03650 
1 1 1    2   -8   25 o  212.682   13.315  574.374   70.362  681.247  109.743  499.776   91.687  229.676   19.313  196.640   18.905 33.03664 27.02586 
1 1 1    2   -8   26 o  122.974   10.828  191.977   32.911  193.665   44.710  189.980   48.622  122.630   14.907  121.026   16.520 1.603767 22.25091 
1 1 1    2   -8   27 o  113.195   11.064  163.094   30.874  180.423   43.572  145.619   43.754  118.193   15.108  105.445   17.210 12.74849 22.90115 
1 1 1    2   -8   28 o  145.190   10.663  267.251   38.390  317.098   52.876  211.688   55.826  157.522   13.575  127.217   18.082 30.30463 22.61013 
1 1 1    2   -8   29 o   72.344   14.479   68.949   25.244   67.191   39.263   70.187   32.959   71.085   20.797   72.417   18.237 -1.332123 27.66027 
1 1 1    2   -8   30 o  137.768   10.561  241.347   36.056  385.909   53.230  118.780   49.013  173.887   12.339   93.393   21.466 80.49456 24.75911 
1 1 1    2   -8   31 o   63.692   15.025   54.222   23.511   56.814   40.372   52.891   28.921   65.951   21.420   62.831   17.685 3.120514 27.77693 
1 1 1    2   -8   32 o   78.092   13.954   80.752   26.212  117.314   43.308   59.615   32.929   92.579   19.356   66.218   18.952 26.36073 27.08931 
1 1 1    2   -8   33 o   97.944   12.545  125.401   29.978  200.938   48.662   79.202   38.057  122.705   16.283   75.297   19.929 47.40840 25.73502 
1 1 1    2   -8   34 o   96.189   13.035  122.224   30.504  183.928   51.331   88.539   37.927  115.582   18.401   79.198   19.343 36.38412 26.69803 
1 1 1    2   -8   35 o   70.427   15.113   68.165   25.783  162.540   49.434   32.897   30.219  107.415   19.131   51.445   18.478 55.96997 26.59695 
1 1 1    2   -8   36 o   42.253   15.966   19.327   23.051   65.642   48.708   5.9599   26.167   67.376   23.528   38.174   16.084 29.20228 28.50016 
1 1 1    2   -8   37 o   81.936   28.437  112.226   71.106  112.226   71.106   0.0000   0.0000   81.936   28.437  ?   ?  0.000000 28.43731 
1 1 1    2   -8   38 o   78.347   16.826   88.292   31.938  183.486   63.805   56.467   36.892  107.040   24.411   61.705   20.497 45.33520 31.87534 
1 1 1    2   -8   39 o  104.925   15.655  156.179   39.764  249.287   70.418  112.588   48.182  124.553   23.502   83.340   22.587 41.21298 32.59627 
1 1 1    2   -7    0 o  119.317   7.5349  178.737   22.335  176.289   31.511  181.209   31.664  118.147   10.800  119.812   10.696 -1.664040 15.19960 
1 1 1    2   -7    1 o   95.017   10.537  114.476   24.581  131.707   34.638   96.995   34.890  101.460   14.048   86.328   16.789 15.13236 21.89091 
1 1 1    2   -7    2 o  330.458   16.708  1379.05  137.425  1366.99  194.100  1391.17  194.598  327.080   23.930  330.024   23.772 -2.943542 33.73059 
1 1 1    2   -7    3 o  340.025   11.809  1450.19  100.268  1429.81  141.644  1470.66  141.958  336.835   16.840  341.649   16.639 -4.814331 23.67334 
1 1 1    2   -7    4 o  215.001   8.9566  578.630   48.088  571.154   67.857  586.171   68.157  212.945   12.821  215.752   12.707 -2.806870 18.05052 
1 1 1    2   -7    5 o  264.052   9.8535  872.969   64.972  863.551   91.752  882.442   92.019  261.875   14.082  264.750   13.968 -2.874695 19.83447 
1 1 1    2   -7    6 o  560.136   20.571  3957.57  287.739  3929.17  352.224  4014.55  498.897  556.667   25.338  557.295   36.042 -0.6281128 44.05713 
1 1 1    2   -7    7 o  383.986   15.306  1849.58  146.766  1888.07  254.236  1830.34  179.741  385.283   26.587  381.523   18.866 3.760040 32.60051 
1 1 1    2   -7    8 o  654.446   28.848  5424.55  471.462  5721.71  667.602  5128.90  665.898  666.547   40.298  629.825   42.589 36.72211 58.63221 
1 1 1    2   -7    9 o  611.429   19.097  4694.48  291.585  4675.30  412.238  4713.69  412.490  608.420   27.133  610.937   27.037 -2.517700 38.30417 
1 1 1    2   -7   10 o  827.076   25.021  8620.64  516.767  8320.80  730.382  8921.19  731.256  808.506   36.176  837.697   34.957 -29.19135 50.30561 
1 1 1    2   -7   11 o  506.795   15.650  3218.39  198.054  3291.88  280.003  3144.81  280.179  511.671   21.914  500.026   22.438 11.64450 31.36408 
1 1 1    2   -7   12 o  262.801   11.288  863.968   74.078  957.773   91.286  683.083  126.764  276.603   13.216  232.017   22.148 44.58510 25.79128 
1 1 1    2   -7   13 o  430.790   29.109  2358.13  311.308  2358.13  311.308   0.0000   0.0000  430.790   29.109  ?   ?  0.000000 29.10921 
1 1 1    2   -7   14 o  418.633   16.421  2198.23  171.669  2169.14  210.579  2255.89  296.416  415.352   20.302  421.277   28.341 -5.925201 34.86267 
1 1 1    2   -7   15 o  734.371   26.238  6822.65  481.171  6981.99  589.800  6505.54  832.035  740.596   31.891  705.312   47.517 35.28387 57.22681 
1 1 1    2   -7   16 o  383.105   14.649  1841.43  140.144  1928.56  172.523  1672.41  240.299  391.639   17.640  362.124   26.763 29.51459 32.05360 
1 1 1    2   -7   17 o  116.835   12.883  173.251   36.962  173.251   36.962   0.0000   0.0000  116.835   12.883  ?   ?  0.000000 12.88278 
1 1 1    2   -7   18 o   74.348   14.523   71.851   25.997   25.810   48.005   90.957   30.924   58.095   22.754   83.745   15.353 -25.65043 27.44902 
1 1 1    2   -7   19 o  197.866   10.119  492.029   49.830  539.951   62.467  408.181   82.628  207.019   12.136  178.651   18.804 28.36757 22.38014 
1 1 1    2   -7   20 o  359.043   14.070  1624.11  126.154  1709.38  155.489  1459.85  215.802  367.611   16.938  335.921   25.926 31.69040 30.96887 
1 1 1    2   -7   21 o  146.165   9.4984  269.133   34.481  304.042   44.611  217.329   54.344  155.074   11.604  129.852   17.181 25.22218 20.73278 
1 1 1    2   -7   22 f  180.505   18.239  418.700   81.086  418.700   81.086   0.0000   0.0000  180.505   18.239  ?   ?  0.000000 18.23931 
1 1 1    2   -7   23 o  272.981   11.562  938.284   78.816  1027.53   98.320  777.826  131.837  285.160   13.807  245.074   21.769 40.08521 25.77821 
1 1 1    2   -7   24 o   97.384   10.592  120.676   25.342  131.761   35.121  108.636   36.603  101.076   14.315   91.070   16.711 10.00645 22.00380 
1 1 1    2   -7   25 o  247.372   11.217  770.804   69.289  833.111   87.264  664.503  113.983  256.278   13.685  226.585   20.362 29.69286 24.53345 
1 1 1    2   -7   26 o  395.910   14.631  1987.75  144.651  2163.84  179.142  1657.84  245.205  411.749   17.423  353.466   28.009 58.28363 32.98587 
1 1 1    2   -7   27 o  262.638   13.107  872.636   85.961  1227.80  134.281  626.034  111.892  309.526   17.444  219.472   20.659 90.05409 27.03857 
1 1 1    2   -7   28 o  141.553   10.925  254.084   38.320  276.362   52.064  227.750   56.606  146.870   14.380  132.330   17.564 14.53940 22.69946 
1 1 1    2   -7   29 o  155.085   10.623  304.677   40.894  364.155   55.898  236.190   59.982  168.948   13.358  134.426   18.348 34.52254 22.69539 
1 1 1    2   -7   30 o   88.085   12.666  100.326   27.059  123.061   41.902   84.063   35.440   96.290   18.090   79.245   18.282 17.04571 25.71915 
1 1 1    2   -7   31 o   73.134   23.167   70.742   47.446   70.742   47.446   0.0000   0.0000   73.134   23.167  ?   ?  0.000000 23.16654 
1 1 1    2   -7   32 o  121.836   11.901  190.706   35.747  224.437   52.601  161.760   48.728  130.692   16.484  109.963   18.395 20.72950 24.70025 
1 1 1    2   -7   33 o   47.756   15.586   28.887   21.366   9.5594   40.790   36.195   25.082   48.121   20.168   52.840   16.855 -4.719570 26.28419 
1 1 1    2   -7   34 o   39.272   14.728   15.710   19.533   8.2544   41.185   17.874   22.188   47.564   20.117   41.744   15.688 5.819698 25.51131 
1 1 1    2   -7   35 o   98.969   14.880  131.399   35.638  379.653   96.724   92.403   38.335  161.381   24.794   80.907   19.253 80.47424 31.39151 
1 1 1    2   -7   36 o   50.128   16.384   33.314   23.607   12.583   47.828   39.992   27.144   50.694   21.570   54.354   17.555 -3.659943 27.81113 
1 1 1    2   -7   37 o   32.495   13.982   0.6718   20.505   79.906   51.233 -14.4421   22.376   72.855   24.152   29.008   13.361 43.84724 27.60163 
1 1 1    2   -7   38 o   66.102   19.585   64.189   34.628   0.0000   0.0000   64.189   34.628  ?   ?    66.102   19.585 0.000000 19.58462 
1 1 1    2   -7   39 o   42.123   16.715   17.312   26.217   55.751   58.041   7.4585   29.386   63.109   24.925   39.894   16.940 23.21522 30.13658 
1 1 1    2   -7   40 o   28.944   13.251 -10.7522   21.560 -10.4925   62.261 -10.7876   22.982   48.362   22.280   29.978   13.709 18.38354 26.15965 
1 1 1    2   -6    0 o  721.482   22.008  6566.11  396.511  6639.04  560.799  6493.20  560.705  721.825   31.112  713.691   31.461 8.133850 44.24637 
1 1 1    2   -6    1 o  125.247   7.5791  196.848   23.593  196.942   33.303  196.754   33.429  124.959   10.778  124.892   10.826 0.6657410E-01 15.27607 
1 1 1    2   -6    2 o  154.595   7.9768  299.709   30.690  294.081   43.308  305.385   43.496  152.780   11.434  155.726   11.261 -2.946060 16.04853 
1 1 1    2   -6    3 o  250.174   13.583  788.075   84.536  698.894  119.141  878.499  119.968  234.234   20.577  263.299   18.361 -29.06502 27.57792 
1 1 1    2   -6    4 o  246.904   9.8005  763.520   60.426  753.651   85.345  773.440   85.568  244.511   14.036  247.735   13.888 -3.224121 19.74538 
1 1 1    2   -6    5 o  327.087   11.630  1341.65   94.995  1355.79  134.271  1327.47  134.415  328.105   16.388  324.199   16.659 3.906250 23.36853 
1 1 1    2   -6    6 o  212.962   9.2459  567.708   49.170  579.650   69.439  555.698   69.636  214.535   13.023  209.992   13.349 4.542603 18.64909 
1 1 1    2   -6    7 o  270.584   10.527  916.695   71.130  920.534  100.509  912.843  100.677  270.365   14.945  269.215   15.036 1.149506 21.19952 
1 1 1    2   -6    8 o  250.473   9.9363  784.907   62.149  766.058   87.727  803.900   88.059  246.772   14.297  252.851   14.001 -6.078735 20.01080 
1 1 1    2   -6    9 o  197.441   12.733  490.116   62.446  475.560   89.287  504.054   87.369  193.694   18.692  199.609   17.712 -5.915115 25.75048 
1 1 1    2   -6   10 o  313.878   11.229  1232.52   88.015  1246.42  124.354  1218.56  124.590  314.941   15.863  311.365   16.079 3.575592 22.58641 
1 1 1    2   -6   11 o  598.545   18.717  4496.17  279.757  4629.34  395.701  4363.09  395.572  605.869   26.154  588.010   26.940 17.85895 37.54689 
1 1 1    2   -6   12 o  162.684   10.048  332.192   40.619  307.585   50.175  378.985   69.191  156.229   12.979  173.146   16.190 -16.91672 20.75012 
1 1 1    2   -6   13 o  789.911   27.484  7877.26  542.137  8303.91  664.667  7029.23  937.072  809.099   32.897  734.584   51.408 74.51563 61.03222 
1 1 1    2   -6   14 o  320.999   23.409  1304.19  186.350  1304.19  186.350   0.0000   0.0000  320.999   23.409  ?   ?  0.000000 23.40883 
1 1 1    2   -6   15 o  242.677   12.204  739.017   73.723  654.371   90.730  903.516  126.482  227.877   16.047  267.519   19.058 -39.64203 24.91361 
1 1 1    2   -6   16 o  563.891   36.796  4089.22  515.297   0.0000   0.0000  4089.22  515.297  ?   ?   563.891   36.796 0.000000 36.79589 
1 1 1    2   -6   17 f  101.556   9.8826  130.277   24.745  137.376   32.135  119.936   38.786  103.946   12.640   96.341   16.729 7.605194 20.96706 
1 1 1    2   -6   18 o  298.060   11.517  1113.23   85.726  1264.51  106.172  829.914  145.303  317.466   13.393  254.985   23.069 62.48122 26.67509 
1 1 1    2   -6   19 f  297.825   15.657  1119.32  116.038  1162.50  167.300  1079.28  161.081  301.906   22.350  290.842   22.350 11.06393 31.60726 
1 1 1    2   -6   20 o  199.803   11.374  502.565   56.516  438.224   70.343  619.727   94.923  185.887   15.289  220.838   17.352 -34.95050 23.12730 
1 1 1    2   -6   21 o  260.201   11.351  850.367   73.756  914.765   91.669  732.145  124.204  269.176   13.682  238.863   21.037 30.31300 25.09545 
1 1 1    2   -6   22 o  204.943   9.7947  527.089   50.127  606.755   63.379  393.999   81.918  219.362   11.611  174.994   19.054 44.36797 22.31298 
1 1 1    2   -6   23 o  286.697   12.303  1035.36   88.079  1086.16  109.287  941.212  148.782  292.653   15.005  269.833   22.280 22.82083 26.86117 
1 1 1    2   -6   24 o  164.199   18.119  347.439   73.058  347.439   73.058   0.0000   0.0000  164.199   18.119  ?   ?  0.000000 18.11918 
1 1 1    2   -6   25 o  111.229   9.6388  156.569   26.508  204.615   36.619  103.675   38.422  126.919   11.685   88.659   17.970 38.26072 21.43475 
1 1 1    2   -6   26 o  230.626   11.375  670.055   65.511  675.431   82.597  660.938  107.565  230.498   14.422  226.453   19.202 4.045700 24.01519 
1 1 1    2   -6   27 o  238.659   11.207  717.622   66.790  785.731   84.669  605.428  108.670  248.821   13.679  216.116   20.376 32.70505 24.54218 
1 1 1    2   -6   28 o  364.850   16.402  1696.08  149.441  2096.49  220.209  1354.25  203.465  401.881   22.026  320.553   25.632 81.32806 33.79617 
1 1 1    2   -6   29 o  243.081   10.929  744.927   66.341  864.091   85.505  564.708  105.153  260.920   13.166  208.250   20.485 52.67050 24.35112 
1 1 1    2   -6   30 o  180.701   10.734  413.261   48.217  482.798   64.708  326.450   72.300  194.662   13.393  158.290   18.649 36.37250 22.95974 
1 1 1    2   -6   31 o   68.464   14.558   61.939   24.123   55.134   39.960   65.841   30.258   65.667   21.309   70.210   17.356 -4.542938 27.48326 
1 1 1    2   -6   32 o  112.268   22.562  171.930   61.058  171.930   61.058   0.0000   0.0000  112.268   22.562  ?   ?  0.000000 22.56187 
1 1 1    2   -6   33 o   97.971   13.494  125.100   32.137   97.517   49.475  145.232   42.269   83.802   22.962  104.604   16.746 -20.80142 28.42000 
1 1 1    2   -6   34 o  136.029   10.685  237.043   36.005  386.978   55.776  129.930   47.143  173.044   13.002   97.089   20.106 75.95502 23.94407 
1 1 1    2   -6   35 o   68.477   15.864   63.951   26.595   40.905   47.943   74.195   31.964   60.286   22.967   73.307   17.669 -13.02063 28.97715 
1 1 1    2   -6   36 o   84.387   16.670   97.918   33.882  154.378   94.632   89.616   36.288   97.005   32.833   79.877   18.548 17.12852 37.70964 
1 1 1    2   -6   37 f  105.450   13.312  147.957   34.274  225.703   58.461  107.240   42.308  126.921   19.032   86.287   20.021 40.63381 27.62374 
1 1 1    2   -6   38 o   86.980   15.770  104.590   32.993  176.957   61.018   74.693   39.220  108.400   23.239   71.262   20.768 37.13761 31.16668 
1 1 1    2   -6   39 o   87.184   15.833  106.192   33.201  190.577   63.781   74.829   38.884  111.036   23.723   70.688   20.701 40.34785 31.48484 
1 1 1    2   -6   40 o   56.537   24.390   26.712   62.720   26.712   62.720   0.0000   0.0000   56.537   24.390  ?   ?  0.000000 24.38997 
1 1 1    2   -5    0 o  290.646   10.695  1056.86   77.627  1048.06  109.768  1065.67  109.795  288.734   15.278  291.172   15.152 -2.438324 21.51801 
1 1 1    2   -5    1 o  589.112   18.465  4360.97  271.647  4297.56  384.070  4424.43  384.263  582.888   26.386  591.536   26.013 -8.648193 37.05292 
1 1 1    2   -5    2 o  428.345   14.169  2300.52  151.555  2323.13  214.321  2277.90  214.340  429.559   19.980  425.322   20.181 4.237152 28.39807 
1 1 1    2   -5    3 o  261.721   10.032  857.349   65.565  826.974   92.615  887.866   92.832  256.296   14.531  265.662   14.043 -9.366943 20.20756 
1 1 1    2   -5    4 o  316.991   11.159  1259.01   88.333  1222.50  124.801  1295.66  125.044  311.368   16.106  321.039   15.597 -9.671234 22.42049 
1 1 1    2   -5    5 o  523.869   23.806  3487.55  311.435  3309.33  439.876  3666.69  440.997  504.054   35.167  531.756   33.380 -27.70181 48.48606 
1 1 1    2   -5    6 o  419.165   13.454  2206.57  140.830  2081.35  198.862  2332.56  199.467  405.771   19.625  429.833   18.583 -24.06204 27.02762 
1 1 1    2   -5    7 o  359.662   12.193  1622.33  109.509  1592.11  154.764  1652.64  154.974  355.473   17.435  362.224   17.133 -6.750763 24.44392 
1 1 1    2   -5    8 o  280.373   10.277  984.130   71.951  987.348  101.644  980.898  101.866  280.078   14.583  279.147   14.665 0.9310608 20.68136 
1 1 1    2   -5    9 o  204.675   9.0641  523.935   46.327  511.069   65.402  536.891   65.632  201.546   13.065  206.627   12.783 -5.081436 18.27812 
1 1 1    2   -5   10 o  756.799   22.410  7212.52  423.515  6849.01  598.506  7577.09  599.377  733.987   32.653  772.671   31.064 -38.68384 45.06894 
1 1 1    2   -5   11 o  142.200   10.600  254.309   37.371  311.263   54.637  204.238   51.229  157.026   14.083  126.559   16.611 30.46737 21.77752 
1 1 1    2   -5   12 o  320.777   13.245  1288.04  106.101  1287.54  130.191  1289.01  183.087  320.092   16.342  319.258   23.122 0.8345947 28.31368 
1 1 1    2   -5   13 o  311.392   13.428  1213.80  104.413  1148.37  128.082  1343.42  180.278  302.172   17.044  326.125   22.270 -23.95245 28.04312 
1 1 1    2   -5   14 o  347.973   14.032  1516.19  121.930  1568.26  149.749  1413.76  210.028  353.665   16.956  333.997   25.371 19.66833 30.51567 
1 1 1    2   -5   15 o  652.986   41.930  5488.54  680.115   0.0000   0.0000  5488.54  680.115  ?   ?   652.986   41.930 0.000000 41.93045 
1 1 1    2   -5   16 o  487.425   32.312  3031.36  391.067  3031.36  391.067   0.0000   0.0000  487.425   32.312  ?   ?  0.000000 32.31189 
1 1 1    2   -5   17 o  525.462   19.725  3473.54  258.829  3384.55  317.309  3650.50  447.433  517.623   24.548  533.849   33.736 -16.22687 41.72235 
1 1 1    2   -5   18 o  335.150   14.296  1409.11  119.645  1341.76  147.078  1540.89  205.720  326.083   18.134  348.246   23.798 -22.16275 29.91988 
1 1 1    2   -5   19 o  244.071   11.419  746.480   69.596  767.757   86.307  706.924  117.680  246.903   14.056  235.785   20.181 11.11801 24.59374 
1 1 1    2   -5   20 o  166.621   9.4846  348.792   39.301  398.622   50.200  269.894   63.167  177.940   11.357  145.213   17.792 32.72746 21.10731 
1 1 1    2   -5   21 o  191.676   11.055  462.472   52.691  417.829   65.966  541.150   87.574  181.578   14.674  206.292   17.155 -24.71426 22.57483 
1 1 1    2   -5   22 o  238.156   10.821  712.060   64.357  776.307   80.383  597.342  107.411  248.031   13.024  215.795   20.166 32.23645 24.00591 
1 1 1    2   -5   23 o  525.547   19.671  3519.70  258.154  3564.42  317.018  3431.69  444.774  526.201   24.126  506.644   35.377 19.55722 42.82034 
1 1 1    2   -5   24 o   73.025   11.632   68.734   20.501   63.986   29.208   73.345   28.782   69.641   16.954   74.716   15.913 -5.074646 23.25271 
1 1 1    2   -5   25 o  171.695   18.255  379.641   77.068  379.641   77.068   0.0000   0.0000  171.695   18.255  ?   ?  0.000000 18.25495 
1 1 1    2   -5   26 o   70.218   12.249   63.926   20.697   60.282   30.270   67.126   28.362   67.567   17.721   71.323   16.282 -3.756279 24.06573 
1 1 1    2   -5   27 o  135.903   10.580  233.744   35.624  242.358   47.664  222.843   53.620  137.709   14.058  131.351   16.727 6.358551 21.84958 
1 1 1    2   -5   28 o  212.844   11.345  572.414   60.084  580.777   76.704  559.135   96.656  213.615   14.465  208.226   18.791 5.389206 23.71331 
1 1 1    2   -5   29 o  305.047   12.887  1176.43   98.167  1242.49  123.372  1062.43  162.074  312.115   15.881  285.276   22.945 26.83813 27.90495 
1 1 1    2   -5   30 o  298.868   12.732  1129.90   95.025  1194.92  119.760  1019.38  156.135  305.929   15.729  279.227   22.585 26.70193 27.52285 
1 1 1    2   -5   31 o  179.159   11.109  406.690   49.457  441.072   66.308  363.579   74.250  185.709   14.411  167.341   18.054 18.36812 23.10056 
1 1 1    2   -5   32 o  131.022   11.345  218.733   36.752  264.009   53.281  177.639   50.761  142.992   15.152  116.104   18.098 26.88822 23.60336 
1 1 1    2   -5   33 o   46.966   15.914   26.640   22.233   17.673   40.563   30.491   26.582   51.050   20.608   50.498   17.395 0.5521049 26.96851 
1 1 1    2   -5   34 o  207.276   11.160  547.952   57.554  674.712   78.628  401.640   84.475  228.818   13.825  173.363   19.872 55.45534 24.20793 
1 1 1    2   -5   35 o   47.258   15.559   28.204   21.275   35.424   42.984   25.862   24.484   57.381   21.774   46.976   16.658 10.40538 27.41511 
1 1 1    2   -5   36 o   67.006   15.804   61.335   26.015   70.754   48.437   57.516   30.840   71.265   23.477   64.533   18.297 6.731575 29.76498 
1 1 1    2   -5   37 o  121.139   12.665  192.675   37.747  295.138   64.313  138.830   46.621  146.923   17.899   99.320   19.493 47.60241 26.46430 
1 1 1    2   -5   38 o  132.462   21.333  252.198   68.169  252.198   68.169   0.0000   0.0000  132.462   21.333  ?   ?  0.000000 21.33273 
1 1 1    2   -5   39 o   56.133   17.179   43.972   26.332   47.615   56.003   42.938   29.836   62.237   24.514   55.841   18.427 6.395252 30.66780 
1 1 1    2   -5   40 o   53.716   17.842   40.021   27.954   66.408   62.075   33.308   31.309   67.587   26.040   51.087   18.740 16.50026 32.08224 
1 1 1    2   -5   41 o   68.903   29.018   69.956   85.101   69.956   85.101   0.0000   0.0000   68.903   29.018  ?   ?  0.000000 29.01800 
1 1 1    2   -4    0 f   49.045   10.442   31.234   12.396   29.739   17.298   32.811   17.774   48.158   13.720   50.389   13.745 -2.231075 19.42037 
1 1 1    2   -4    1 o  430.883   13.849  2325.33  149.016  2373.24  210.787  2277.46  210.694  434.651   19.420  425.737   19.818 8.914032 27.74701 
1 1 1    2   -4    2 o  421.660   13.998  2227.55  147.395  2193.84  208.396  2261.28  208.501  417.722   19.978  424.137   19.686 -6.414795 28.04727 
1 1 1    2   -4    3 o  512.398   16.410  3295.34  209.980  3247.80  296.872  3342.93  297.040  507.320   23.433  514.771   23.107 -7.451111 32.91011 
1 1 1    2   -4    4 o  375.502   12.763  1766.99  119.679  1720.68  169.151  1813.41  169.354  369.834   18.315  379.739   17.859 -9.904663 25.58128 
1 1 1    2   -4    5 o  434.090   14.334  2365.74  155.378  2315.29  219.624  2416.29  219.852  428.202   20.539  437.541   20.122 -9.338928 28.75290 
1 1 1    2   -4    6 o  654.218   29.112  5483.42  475.611  5148.27  671.835  5820.13  673.399  623.017   43.455  664.893   40.754 -41.87628 59.57542 
1 1 1    2   -4    7 o  276.480   14.904  963.962  102.522  965.955  144.546  961.944  145.433  275.392   21.181  274.770   21.363 0.6221619 30.08369 
1 1 1    2   -4    8 o  260.725   9.9262  851.252   64.627  817.903   91.270  884.788   91.524  254.757   14.406  265.086   13.874 -10.32930 20.00053 
1 1 1    2   -4    9 o  206.228   9.2207  532.153   47.486  532.772   67.090  531.533   67.219  205.712   13.129  205.466   13.170 0.2462158 18.59625 
1 1 1    2   -4   10 o  200.408   9.4633  502.368   47.359  506.203   66.902  498.516   67.051  200.544   13.437  198.993   13.574 1.551239 19.09994 
1 1 1    2   -4   11 o  241.476   9.9007  729.252   59.702  747.611   84.364  710.834   84.500  243.911   13.908  237.772   14.298 6.138641 19.94670 
1 1 1    2   -4   12 o  668.335   29.607  5650.22  494.128  5681.12  699.345  5619.42  698.262  664.438   42.370  660.723   42.546 3.714966 60.04499 
1 1 1    2   -4   13 o  397.295   15.313  1977.38  151.923  2056.24  186.387  1821.27  262.241  404.839   18.437  378.840   27.917 25.99896 33.45531 
1 1 1    2   -4   14 o  355.454   14.214  1582.05  126.169  1628.92  154.878  1489.57  217.541  360.444   17.207  342.897   25.590 17.54703 30.83685 
1 1 1    2   -4   15 o  503.538   17.440  3179.72  219.292  3540.16  269.362  2471.30  377.633  530.896   20.318  439.792   34.666 91.10410 40.18168 
1 1 1    2   -4   16 o  640.950   22.953  5171.11  367.380  5361.94  450.456  4792.02  634.889  651.475   27.689  609.968   41.936 41.50745 50.25233 
1 1 1    2   -4   17 o  258.859   20.582  847.924  131.945  847.924  131.945   0.0000   0.0000  258.859   20.582  ?   ?  0.000000 20.58151 
1 1 1    2   -4   18 o  171.347   10.508  368.765   44.746  352.087   56.168  397.737   74.030  167.072   13.580  177.179   16.938 -10.10640 21.71009 
1 1 1    2   -4   19 o  469.416   17.551  2771.46  205.731  2820.75  252.681  2674.54  354.343  472.733   21.405  456.543   31.269 16.19052 37.89345 
1 1 1    2   -4   20 o  500.556   18.105  3157.68  226.310  3292.65  278.061  2892.84  389.500  510.071   21.830  472.913   33.192 37.15778 39.72753 
1 1 1    2   -4   21 o  315.912   13.304  1253.66  104.957  1253.59  129.616  1253.80  178.874  314.965   16.537  313.253   23.028 1.711273 28.35098 
1 1 1    2   -4   22 o  439.288   18.572  2443.56  203.736  2954.80  292.808  1963.77  283.662  480.007   24.510  388.737   29.439 91.26959 38.30658 
1 1 1    2   -4   23 o  459.164   17.686  2671.85  202.794  2658.43  249.307  2698.11  348.649  456.225   21.883  453.651   30.961 2.574615 37.91380 
1 1 1    2   -4   24 o  173.578   10.490  379.779   45.256  375.623   57.787  386.372   72.780  172.079   13.558  173.775   16.989 -1.696793 21.73550 
1 1 1    2   -4   25 o  114.205   11.173  165.568   31.458  117.449   41.467  230.800   48.282   94.557   18.222  134.360   14.626 -39.80311 23.36621 
1 1 1    2   -4   26 o  148.972   18.002  286.477   65.609  286.477   65.609   0.0000   0.0000  148.972   18.002  ?   ?  0.000000 18.00154 
1 1 1    2   -4   27 o  173.932   10.583  381.852   45.747  393.259   59.126  364.840   72.209  175.919   13.564  168.443   17.418 7.477020 22.07652 
1 1 1    2   -4   28 o   96.648   12.331  119.671   29.083   68.717   40.245  175.366   42.075   72.326   21.025  116.772   14.759 -44.44553 25.68825 
1 1 1    2   -4   29 o  301.508   13.006  1148.66   97.926  1172.57  122.396  1106.13  163.236  303.226   16.223  291.636   22.591 11.59082 27.81212 
1 1 1    2   -4   30 o   86.952   13.769   97.992   28.902   32.983   42.042  156.251   39.799   57.588   21.605  110.009   14.868 -52.42073 26.22653 
1 1 1    2   -4   31 o  160.541   13.622  328.880   54.096  410.824   99.341  294.339   64.498  176.305   23.121  150.754   17.456 25.55156 28.97053 
1 1 1    2   -4   32 o  212.403   11.773  572.078   62.198  577.517   81.255  564.380   96.660  212.255   15.436  208.534   18.763 3.721069 24.29615 
1 1 1    2   -4   33 o   86.094   13.086   96.242   27.248  133.232   45.190   75.112   34.155   99.969   18.792   74.790   18.411 25.17853 26.30814 
1 1 1    2   -4   34 o   60.025   15.465   48.093   23.325   82.387   43.874   34.580   27.540   77.685   21.753   52.857   17.713 24.82750 28.05199 
1 1 1    2   -4   35 o   74.319   24.877   73.852   54.321   73.852   54.321   0.0000   0.0000   74.319   24.877  ?   ?  0.000000 24.87676 
1 1 1    2   -4   36 o   82.924   14.520   91.600   28.972  125.160   53.143   77.407   34.560   93.829   22.885   74.901   18.569 18.92812 29.47133 
1 1 1    2   -4   37 o  146.103   18.111  289.853   64.660   0.0000   0.0000  289.853   64.660  ?   ?   146.103   18.111 0.000000 18.11093 
1 1 1    2   -4   38 o  126.851   12.250  210.622   38.321  343.338   63.524  134.692   48.049  159.726   16.148   97.173   20.448 62.55323 26.05571 
1 1 1    2   -4   39 o   90.509   16.345  113.046   35.582  348.517  106.254   83.303   37.763  147.293   29.909   75.970   19.729 71.32294 35.82997 
1 1 1    2   -4   40 o   58.823   16.749   48.774   25.786  139.975   61.511   29.329   28.402   94.096   25.529   48.869   17.861 45.22686 31.15656 
1 1 1    2   -4   41 o  120.810   14.179  198.630   41.961  337.615   76.717  139.301   50.123  151.288   20.861   95.932   21.460 55.35629 29.92879 
1 1 1    2   -4   42 o   87.664   33.066  158.629   98.751  158.629   98.751   0.0000   0.0000   87.664   33.066  ?   ?  0.000000 33.06596 
1 1 1    2   -3    0 o  231.809   9.4068  671.774   54.453  686.784   77.029  656.780   76.988  233.869   13.244  228.656   13.543 5.212738 18.94274 
1 1 1    2   -3    1 o  206.852   8.8453  534.857   45.690  502.667   64.582  567.114   64.649  199.979   13.003  212.538   12.232 -12.55891 17.85245 
1 1 1    2   -3    2 o  225.751   13.232  640.214   74.267  665.810  105.011  614.600  105.049  229.589   18.472  220.406   19.280 9.182770 26.70115 
1 1 1    2   -3    3 o  616.117   19.306  4769.23  297.039  4663.77  419.943  4874.83  420.210  607.278   27.692  621.035   27.096 -13.75659 38.74292 
1 1 1    2   -3    4 o  192.493   8.5854  463.281   41.269  448.446   58.291  478.190   58.436  188.839   12.431  195.067   12.055 -6.227615 17.31628 
1 1 1    2   -3    5 f  243.498   9.6333  741.802   58.576  722.963   82.755  760.720   82.925  239.730   13.883  245.971   13.553 -6.241852 19.40143 
1 1 1    2   -3    6 o  446.895   14.438  2507.34  161.129  2463.25  227.768  2551.51  227.974  441.686   20.650  449.612   20.305 -7.926300 28.96067 
1 1 1    2   -3    7 o  557.135   17.655  3912.56  245.635  3884.54  347.311  3940.60  347.450  552.450   25.175  556.495   25.002 -4.044922 35.48120 
1 1 1    2   -3    8 o  242.215   14.151  739.643   85.223  864.258  120.286  614.038  120.763  261.032   18.574  218.939   22.404 42.09288 29.10208 
1 1 1    2   -3    9 o  165.079   8.3015  341.793   34.112  341.184   48.186  342.404   48.299  164.553   11.805  164.848   11.811 -0.2947540 16.69891 
1 1 1    2   -3   10 o  310.203   11.416  1205.19   88.428  1171.85  124.946  1238.64  125.168  304.938   16.469  313.605   16.037 -8.667297 22.98721 
1 1 1    2   -3   11 o  270.862   10.492  917.950   70.969  962.110  100.349  873.762  100.382  276.655   14.577  263.514   15.321 13.14096 21.14718 
1 1 1    2   -3   12 o  461.974   17.215  2677.37  198.592  2775.26  243.485  2482.84  343.241  469.841   20.752  441.414   31.343 28.42712 37.59021 
1 1 1    2   -3   13 f  174.562   13.113  383.559   56.742  264.909   81.175  496.924   79.346  143.258   23.506  198.470   16.150 -55.21216 28.51952 
1 1 1    2   -3   14 o  536.836   34.959  3674.24  466.095   0.0000   0.0000  3674.24  466.095  ?   ?   536.836   34.959 0.000000 34.95891 
1 1 1    2   -3   15 o  732.737   32.230  6800.49  589.732  6800.49  589.732   0.0000   0.0000  732.737   32.230  ?   ?  0.000000 32.22966 
1 1 1    2   -3   16 f  638.572   22.696  5129.32  361.920  5344.40  443.871  4702.69  625.144  650.747   27.315  604.856   41.642 45.89044 49.80097 
1 1 1    2   -3   17 o  136.082   10.129  232.865   34.175  203.523   43.031  282.983   56.239  126.739   13.820  149.504   15.278 -22.76530 20.60174 
1 1 1    2   -3   18 o  461.677   30.896  2717.27  354.147  2717.27  354.147   0.0000   0.0000  461.677   30.896  ?   ?  0.000000 30.89644 
1 1 1    2   -3   19 o  276.149   11.971  954.973   82.550  984.117  102.106  899.976  140.264  279.745   14.667  266.409   21.261 13.33582 25.82923 
1 1 1    2   -3   20 o  675.150   24.611  5776.67  414.933  5613.68  508.431  6101.72  717.996  662.834   30.717  682.971   42.307 -20.13660 52.28201 
1 1 1    2   -3   21 o   71.692   12.912   66.447   22.266   18.821   30.174  123.386   32.993   47.293   18.172   98.179   13.841 -50.88643 22.84311 
1 1 1    2   -3   22 o  403.539   15.684  2051.15  158.052  2095.72  194.466  1964.42  271.278  407.033   19.132  390.283   28.021 16.75027 33.92962 
1 1 1    2   -3   23 o  166.817   13.529  352.410   55.872  293.924   85.533  395.941   73.792  149.972   23.620  176.213   16.980 -26.24075 29.08965 
1 1 1    2   -3   24 o  192.039   11.123  464.786   53.113  437.028   66.794  512.523   87.593  185.577   14.529  200.326   17.692 -14.74815 22.89303 
1 1 1    2   -3   25 o   94.195   11.171  113.069   25.765   93.626   35.172  135.587   37.851   84.429   17.264  102.485   15.255 -18.05553 23.03876 
1 1 1    2   -3   26 o  155.384   11.367  305.322   43.800  249.214   56.339  391.047   69.639  139.244   16.525  174.942   16.122 -35.69789 23.08679 
1 1 1    2   -3   27 o  143.677   10.332  260.756   36.822  281.405   49.403  234.948   55.231  148.712   13.449  135.039   16.737 13.67351 21.47091 
1 1 1    2   -3   28 o  162.983   18.781  343.343   75.040  343.343   75.040   0.0000   0.0000  162.983   18.781  ?   ?  0.000000 18.78107 
1 1 1    2   -3   29 o  336.206   14.246  1430.55  119.605  1407.07  148.544  1473.85  201.685  331.653   18.003  336.274   24.179 -4.620514 30.14532 
1 1 1    2   -3   30 o  112.987   11.026  162.250   30.712  183.990   44.007  141.606   42.882  119.537   15.078  104.153   17.080 15.38417 22.78280 
1 1 1    2   -3   31 o   72.464   14.852   69.000   25.974   13.291   40.154  109.078   34.058   49.940   20.378   91.454   15.464 -41.51388 25.58134 
1 1 1    2   -3   32 o  222.269   14.766  630.507   81.493  664.503  131.165  609.133  104.002  224.467   23.761  216.752   19.420 7.714645 30.68787 
1 1 1    2   -3   33 o  218.632   11.321  605.542   61.596  696.416   81.854  486.898   93.528  233.605   14.098  193.120   19.668 40.48546 24.19897 
1 1 1    2   -3   34 o  111.823   12.703  160.857   34.844  146.119   52.956  172.108   46.270  103.957   21.120  114.568   16.661 -10.61140 26.90037 
1 1 1    2   -3   35 f   40.862   14.881   17.876   19.689   8.0649   44.155   20.311   21.997   49.671   20.910   43.298   15.735 6.373154 26.16851 
1 1 1    2   -3   36 o  151.819   23.091  318.144   84.784  318.144   84.784   0.0000   0.0000  151.819   23.091  ?   ?  0.000000 23.09106 
1 1 1    2   -3   37 o  143.955   12.525  268.699   44.575  302.398   66.961  241.881   59.734  149.801   18.279  133.742   18.371 16.05974 25.91542 
1 1 1    2   -3   38 o  160.399   12.331  334.578   49.014  361.631   71.339  310.389   67.457  163.419   17.768  150.963   18.266 12.45648 25.48169 
1 1 1    2   -3   39 o   81.184   14.985   89.582   29.260  157.427   57.756   66.158   33.937  103.587   22.933   68.327   19.131 35.25995 29.86517 
1 1 1    2   -3   40 o   88.101   17.091  108.279   36.244  197.459  111.190   97.676   38.338  103.693   35.585   82.633   18.979 21.05959 40.32971 
1 1 1    2   -3   41 o  186.279   12.199  457.429   56.432  688.689   88.720  300.286   73.134  224.693   15.915  143.563   21.023 81.13013 26.36723 
1 1 1    2   -3   42 f   46.299   17.315   25.745   26.965   18.692   68.967   27.018   29.297   56.969   25.057   47.591   17.996 9.377865 30.84991 
1 1 1    2   -2    0 o  103.675   7.2370  134.954   18.619  131.778   26.325  138.134   26.337  102.125   10.471  104.612   10.212 -2.487068 14.62593 
1 1 1    2   -2    1 o  118.556   7.4165  176.314   21.847  167.016   30.888  185.622   30.903  115.052   10.880  121.407   10.290 -6.354607 14.97533 
1 1 1    2   -2    2 f  111.499   7.2605  156.000   20.105  155.928   28.433  156.072   28.433  111.186   10.360  111.239   10.355 -0.5263519E-01 14.64747 
1 1 1    2   -2    3 o  395.360   13.266  1956.85  130.970  1999.59  185.260  1914.16  185.180  399.145   18.587  390.481   18.991 8.664398 26.57272 
1 1 1    2   -2    4 o  213.687   12.847  573.723   68.235  609.151   96.522  538.329   96.476  219.606   17.753  206.181   18.950 13.42458 25.96652 
1 1 1    2   -2    5 o  283.346   10.545  1004.48   74.612  995.205  105.470  1013.77  105.565  281.339   15.067  283.973   14.939 -2.634552 21.21762 
1 1 1    2   -2    6 o  369.653   12.673  1712.09  116.980  1675.54  165.350  1748.72  165.518  365.017   18.140  372.957   17.772 -7.939941 25.39507 
1 1 1    2   -2    7 o  744.528   22.903  7018.20  425.827  6671.35  601.772  7366.05  602.648  720.276   33.457  757.886   31.843 -37.61005 46.18766 
1 1 1    2   -2    8 o  703.317   21.836  6266.64  383.515  6210.11  542.288  6323.21  542.456  694.902   31.250  701.383   30.971 -6.481384 43.99781 
1 1 1    2   -2    9 o   72.408   9.5433   66.777   16.835   67.557   20.313   65.066   30.087   72.511   11.610   70.475   17.238 2.036049 20.78341 
1 1 1    2   -2   10 o  424.811   19.977  2278.18  211.922  2209.47  299.119  2347.44  300.292  414.893   29.054  428.018   28.254 -13.12527 40.52687 
1 1 1    2   -2   11 o  443.980   14.373  2472.49  159.359  2516.48  225.374  2428.50  225.362  446.920   20.194  438.966   20.559 7.954102 28.81777 
1 1 1    2   -2   12 o  285.347   11.619  1019.07   82.791  1092.33  101.684  874.994  142.598  295.281   13.790  262.713   21.937 32.56821 25.91109 
1 1 1    2   -2   13 o  562.240   20.584  3972.60  289.001  4009.97  354.140  3898.11  500.033  563.984   25.145  552.017   36.480 11.96674 44.30643 
1 1 1    2   -2   14 o  346.967   12.973  1506.69  112.400  1648.87  138.180  1228.63  193.240  362.805   15.252  311.336   25.068 51.46899 29.34289 
1 1 1    2   -2   15 o  983.553   42.653 12378.63  1047.61 12929.77  1483.04 11829.71  1480.06  991.851   60.161  946.312   62.991 45.53809 87.10481 
1 1 1    2   -2   16 o  531.354   19.666  3544.08  260.941  3396.51  319.660  3838.84  451.758  519.385   24.646  549.392   33.083 -30.00629 41.25416 
1 1 1    2   -2   17 o  647.387   23.215  5273.97  375.305  5408.90  460.086  5005.64  648.826  654.419   28.153  623.963   41.884 30.45648 50.46643 
1 1 1    2   -2   18 o  483.804   18.079  2937.73  218.417  2981.48  267.973  2851.13  376.993  486.782   22.045  472.958   32.110 13.82352 38.94902 
1 1 1    2   -2   19 o  323.184   14.093  1308.84  113.738  1212.56  139.828  1497.13  195.533  310.184   18.131  343.897   22.900 -33.71310 29.20844 
1 1 1    2   -2   20 o  446.557   30.193  2549.92  334.710  2549.92  334.710   0.0000   0.0000  446.557   30.193  ?   ?  0.000000 30.19254 
1 1 1    2   -2   21 o  777.367   28.052  7699.87  544.545  7617.72  667.256  7863.68  942.259  769.097   34.742  768.297   49.374 0.7998047 60.37226 
1 1 1    2   -2   22 o   88.925   10.175  100.335   22.188  110.334   30.455   89.023   32.392   92.780   13.544   82.689   16.267 10.09109 21.16678 
1 1 1    2   -2   23 o  418.350   16.058  2206.46  167.755  2263.09  206.348  2096.07  288.086  422.706   19.548  402.530   28.851 20.17624 34.85007 
1 1 1    2   -2   24 o   81.364   11.155   84.639   22.068   72.117   30.613   98.184   31.840   74.084   16.919   87.002   15.209 -12.91755 22.74983 
1 1 1    2   -2   25 o  212.902   14.393  574.379   76.073  508.736  113.214  628.413  102.716  197.898   23.359  221.645   18.733 -23.74655 29.94336 
1 1 1    2   -2   26 o  162.048   10.580  331.268   42.578  321.328   54.725  346.516   67.776  158.988   13.924  164.521   16.730 -5.532745 21.76617 
1 1 1    2   -2   27 o  215.092   10.285  581.229   55.243  647.582   70.414  475.005   89.092  226.370   12.505  192.209   18.802 34.16020 22.58095 
1 1 1    2   -2   28 o  145.098   10.382  265.940   37.371  277.059   49.692  251.466   56.698  147.512   13.645  139.815   16.561 7.697189 21.45783 
1 1 1    2   -2   29 o  129.772   19.301  219.597   60.643  219.597   60.643   0.0000   0.0000  129.772   19.301  ?   ?  0.000000 19.30071 
1 1 1    2   -2   30 f  245.074   11.238  756.248   68.779  841.495   88.265  624.466  109.743  257.626   13.770  219.804   20.220 37.82214 24.46351 
1 1 1    2   -2   31 o  202.555   10.661  517.794   53.736  595.570   70.784  411.996   82.556  216.698   13.143  178.520   18.801 38.17760 22.93948 
1 1 1    2   -2   32 o  254.516   12.555  818.491   79.798  811.730  101.697  829.322  128.721  251.969   16.249  252.944   20.556 -0.9742737 26.20313 
1 1 1    2   -2   33 o  126.408   12.060  203.719   37.607  217.114   56.638  193.158   50.293  128.954   18.086  121.821   16.995 7.133530 24.81786 
1 1 1    2   -2   34 f   84.951   14.396   94.310   29.449   64.995   49.109  110.770   36.799   71.409   23.645   91.630   16.697 -20.22129 28.94639 
1 1 1    2   -2   35 o   76.299   14.385   76.735   26.403   78.436   45.990   75.899   32.247   76.206   22.568   75.191   17.502 1.015335 28.55943 
1 1 1    2   -2   36 o  153.937   12.340  304.137   47.037  308.779   68.373  299.967   64.810  152.708   18.294  150.831   17.534 1.876587 25.33991 
1 1 1    2   -2   37 f   50.962   22.209  -1.1878   53.088  -1.1878   53.088   0.0000   0.0000   50.962   22.209  ?   ?  0.000000 22.20945 
1 1 1    2   -2   38 o   99.950   13.319  131.382   32.416  184.089   56.082  104.938   39.724  115.274   20.220   87.041   18.824 28.23239 27.62540 
1 1 1    2   -2   39 o   67.302   15.930   62.265   26.357  109.183   55.310   48.480   29.980   85.850   24.559   59.516   18.350 26.33445 30.65745 
1 1 1    2   -2   40 o   97.519   14.331  127.642   33.858  191.072   63.758  102.729   39.958  114.118   23.165   85.022   19.266 29.09569 30.12930 
1 1 1    2   -2   41 o  114.242   16.186  178.858   44.885  288.254  117.742  160.258   48.551  125.484   35.811  106.334   18.980 19.15031 40.52963 
1 1 1    2   -2   42 o  101.935   15.362  143.048   37.891  153.672   71.040  138.824   44.795   95.989   27.943   98.107   18.971 -2.118141 33.77445 
1 1 1    2   -2   43 o   52.024   18.148   36.997   28.975   6.6482   72.445   42.777   31.614   55.387   24.931   55.142   18.972 0.2452507 31.32888 
1 1 1    2   -1    0 o  210.693   8.8543  554.835   46.586  564.219   65.895  545.459   65.871  211.993   12.503  208.407   12.718 3.586533 17.83431 
1 1 1    2   -1    1 o  107.146   7.2033  144.087   19.161  139.233   27.091  148.947   27.106  105.004   10.471  108.681   10.103 -3.676788 14.55070 
1 1 1    2   -1    2 o  356.940   12.277  1594.01  109.432  1580.89  154.747  1607.15  154.773  355.099   17.451  358.048   17.310 -2.949097 24.58021 
1 1 1    2   -1    3 o  289.922   10.659  1051.19   77.169  1017.60  109.098  1084.82  109.170  284.592   15.409  293.923   14.923 -9.330231 21.45017 
1 1 1    2   -1    4 o  336.276   11.803  1414.89   99.116  1378.35  140.122  1451.49  140.221  331.102   17.004  340.257   16.503 -9.155121 23.69584 
1 1 1    2   -1    5 o  440.270   20.468  2437.08  225.031  2303.43  318.036  2571.08  318.448  425.298   30.141  449.894   28.492 -24.59576 41.47609 
1 1 1    2   -1    6 o  185.910   11.950  434.481   55.186  358.517   77.983  510.685   78.106  167.840   18.937  201.173   15.671 -33.33261 24.58038 
1 1 1    2   -1    7 o  668.140   20.806  5629.29  347.146  5572.07  490.850  5686.55  491.027  661.357   29.721  668.248   29.425 -6.890686 41.82305 
1 1 1    2   -1    8 o  282.956   10.294  1002.63   72.740  974.170  102.803  1031.16  102.936  278.079   14.858  286.186   14.450 -8.106995 20.72613 
1 1 1    2   -1    9 o  183.874   8.5390  423.102   39.208  406.278   55.361  440.034   55.538  179.532   12.425  186.938   11.960 -7.405472 17.24563 
1 1 1    2   -1   10 o  656.227   20.558  5445.31  336.883  5391.10  476.338  5499.55  476.512  648.703   29.405  655.357   29.117 -6.653992 41.38159 
1 1 1    2   -1   11 o  227.897   19.038  658.975  107.354  658.975  107.354   0.0000   0.0000  227.897   19.038  ?   ?  0.000000 19.03819 
1 1 1    2   -1   12 o  932.039   33.152 11088.85  771.594 11266.97  945.287 10733.25  1335.64  934.473   40.508  893.216   60.232 41.25757 72.58670 
1 1 1    2   -1   13 o  371.065   25.860  1746.17  238.124   0.0000   0.0000  1746.17  238.124  ?   ?   371.065   25.860 0.000000 25.85987 
1 1 1    2   -1   14 o  313.122   16.025  1231.95  124.885  1231.95  124.885   0.0000   0.0000  313.122   16.025  ?   ?  0.000000 16.02521 
1 1 1    2   -1   15 o  549.995   20.254  3798.13  278.174  3681.09  340.747  4031.99  481.655  540.620   25.240  562.708   34.443 -22.08759 42.70084 
1 1 1    2   -1   16 o  467.457   21.853  2745.96  255.100  2542.83  361.241  2948.02  360.291  446.953   32.590  482.072   30.079 -35.11838 44.34945 
1 1 1    2   -1   17 o  286.595   12.704  1027.85   90.922  1013.63  111.767  1055.66  156.340  283.995   15.823  289.013   21.823 -5.018494 26.95566 
1 1 1    2   -1   18 o  748.961   26.817  7078.38  501.555  6980.60  614.452  7273.59  868.225  741.703   33.175  749.994   46.588 -8.291260 57.19290 
1 1 1    2   -1   19 o  735.235   26.395  6826.91  484.624  6739.25  593.760  7001.84  838.776  728.316   32.647  734.915   45.935 -6.598450 56.35442 
1 1 1    2   -1   20 o  676.058   24.167  5770.79  408.003  5900.80  500.256  5512.50  705.118  681.825   29.381  651.361   43.602 30.46381 52.57722 
1 1 1    2   -1   21 o  314.822   23.334  1259.62  182.137  1259.62  182.137   0.0000   0.0000  314.822   23.334  ?   ?  0.000000 23.33377 
1 1 1    2   -1   22 o  500.772   18.788  3161.73  234.951  3175.24  288.380  3135.06  405.198  500.613   23.068  492.646   33.129 7.967194 40.36945 
1 1 1    2   -1   23 o  346.944   13.805  1512.47  119.608  1575.12  147.532  1392.31  204.310  353.539   16.711  329.630   25.007 23.90924 30.07660 
1 1 1    2   -1   24 o  296.213   12.756  1102.63   94.353  1106.44  116.764  1095.46  160.164  295.793   15.866  292.594   22.083 3.199524 27.19167 
1 1 1    2   -1   25 o   81.094   11.941   84.386   23.457   52.777   32.158  120.330   34.292   63.963   18.852   96.629   14.672 -32.66583 23.88916 
1 1 1    2   -1   26 o   99.153   15.398  127.076   36.890   2.3424   63.695  190.036   45.253   58.309   24.854  121.732   15.219 -63.42321 29.14308 
1 1 1    2   -1   27 o  255.651   12.370  822.972   78.971  787.474   98.434  887.084  132.287  248.906   15.920  262.826   20.313 -13.91989 25.80853 
1 1 1    2   -1   28 o  100.370   11.077  128.196   27.301  117.774   38.077  139.221   39.164   95.027   16.653  103.755   15.598 -8.728607 22.81723 
1 1 1    2   -1   29 o  218.571   10.880  600.825   59.385  643.314   75.838  533.477   95.481  225.331   13.541  203.638   18.995 21.69345 23.32752 
1 1 1    2   -1   30 o  240.939   21.140  750.620  125.907  750.620  125.907   0.0000   0.0000  240.939   21.140  ?   ?  0.000000 21.13989 
1 1 1    2   -1   31 o  226.290   12.355  647.754   69.552  623.598   89.325  684.951  110.843  220.956   16.304  230.568   19.432 -9.611084 25.36613 
1 1 1    2   -1   32 o  127.746   13.007  208.262   40.915  125.092   56.871  297.493   58.907   96.330   23.784  152.258   15.719 -55.92727 28.50918 
1 1 1    2   -1   33 o  315.323   13.581  1259.14  106.941  1297.04  134.661  1194.43  175.971  318.346   17.001  302.115   23.510 16.23157 29.01270 
1 1 1    2   -1   34 o  144.232   11.955  264.718   42.672  246.935   59.880  283.066   60.825  137.683   17.835  147.888   16.766 -10.20422 24.47883 
1 1 1    2   -1   35 o  247.329   15.059  784.346   92.567  897.538  149.246  713.579  118.007  260.105   23.222  233.292   20.463 26.81313 30.95122 
1 1 1    2   -1   36 o   76.060   17.503   77.808   32.554   0.0000   0.0000   77.808   32.554  ?   ?    76.060   17.503 0.000000 17.50293 
1 1 1    2   -1   37 o  128.207   11.946  211.393   37.806  286.106   60.200  162.736   48.581  147.472   16.638  110.131   18.308 37.34174 24.73836 
1 1 1    2   -1   38 o  119.373   12.846  185.279   37.691  210.074   61.045  170.003   47.914  123.711   20.476  112.354   17.660 11.35723 27.03992 
1 1 1    2   -1   39 o   56.383   24.446   7.4109   63.646   7.4109   63.646   0.0000   0.0000   56.383   24.446  ?   ?  0.000000 24.44579 
1 1 1    2   -1   40 o  102.847   13.818  140.516   34.592  197.295   63.757  116.829   41.180  116.967   22.646   91.440   18.666 25.52647 29.34725 
1 1 1    2   -1   41 f   85.289   15.639   99.555   32.081  108.952   62.385   96.176   37.406   84.102   26.556   82.423   18.614 1.678772 32.43000 
1 1 1    2   -1   42 o   56.884   17.097   45.178   26.251  102.273   66.151   34.506   28.599   80.416   27.450   51.522   18.026 28.89429 32.83932 
1 1 1    2   -1   43 o  131.115   14.391  233.411   46.342  270.411   81.919  215.997   56.200  130.385   26.071  122.633   18.963 7.751686 32.23822 
1 1 1    2    0    0 o  699.711   21.647  6149.67  378.241  6268.22  535.042  6031.23  534.784  704.383   30.418  690.782   31.002 13.60022 43.43224 
1 1 1    2    0    1 o  534.599   16.760  3581.35  223.747  3628.68  316.484  3534.05  316.369  537.170   23.593  530.071   23.901 7.099792 33.58400 
1 1 1    2    0    2 o  160.638   7.9909  322.463   32.055  333.988   45.355  310.961   45.309  163.033   11.208  157.246   11.621 5.787338 16.14551 
1 1 1    2    0    3 o  194.053   8.6277  470.651   41.809  465.774   59.122  475.529   59.131  192.549   12.361  194.575   12.232 -2.026505 17.39008 
1 1 1    2    0    4 o  521.057   16.505  3403.11  214.753  3353.87  303.655  3452.39  303.758  516.239   23.555  523.823   23.222 -7.584900 33.07673 
1 1 1    2    0    5 o  414.053   13.778  2146.81  142.456  2111.60  201.408  2182.06  201.517  410.027   19.670  416.850   19.359 -6.822937 27.59881 
1 1 1    2    0    6 o  413.247   13.303  2138.73  137.284  2165.12  194.143  2112.32  194.155  415.175   18.726  410.050   18.961 5.124695 26.64909 
1 1 1    2    0    7 o  726.954   31.893  6732.30  578.961  6247.09  818.110  7219.08  819.440  690.381   47.747  744.796   44.257 -54.41492 65.10390 
1 1 1    2    0    8 o  360.229   12.444  1626.42  111.942  1620.66  158.268  1632.19  158.350  358.898   17.659  360.181   17.605 -1.282776 24.93595 
1 1 1    2    0    9 o  467.632   15.141  2748.82  176.816  2746.45  250.027  2751.19  250.086  465.850   21.493  466.256   21.479 -0.4054871 30.38555 
1 1 1    2    0   10 o  552.448   17.419  3846.54  240.303  3807.86  339.780  3885.25  339.900  547.019   24.874  552.652   24.629 -5.632813 35.00433 
1 1 1    2    0   11 o  386.016   15.131  1872.64  145.854  1904.66  178.754  1808.85  252.288  388.698   18.416  375.808   27.064 12.88931 32.73568 
1 1 1    2    0   12 o  428.118   29.073  2343.13  308.969  2343.13  308.969   0.0000   0.0000  428.118   29.073  ?   ?  0.000000 29.07250 
1 1 1    2    0   13 o  772.365   49.643  7807.32  952.414  7807.32  952.414   0.0000   0.0000  772.365   49.643  ?   ?  0.000000 49.64314 
1 1 1    2    0   14 o  697.391   24.850  6129.91  432.772  6265.75  530.318  5859.10  748.783  703.514   30.187  673.429   44.781 30.08502 54.00547 
1 1 1    2    0   15 o  298.101   12.954  1112.15   96.431  1035.13  118.238  1265.14  166.645  286.908   16.574  316.629   21.199 -29.72134 26.90848 
1 1 1    2    0   16 o  298.315   13.004  1113.66   96.874  1065.22  118.876  1209.42  167.145  291.102   16.420  309.498   21.765 -18.39615 27.26402 
1 1 1    2    0   17 o  694.576   24.933  6073.92  432.467  6015.49  529.816  6190.58  748.620  689.738   30.760  694.156   43.405 -4.417847 53.19956 
1 1 1    2    0   18 o  259.872   14.897  848.597   96.273  794.857  137.957  899.612  134.414  250.469   22.290  266.889   20.321 -16.42047 30.16220 
1 1 1    2    0   19 o  565.849   20.798  4024.15  293.875  4039.00  360.293  3994.64  507.961  565.962   25.493  558.826   36.602 7.135742 44.60513 
1 1 1    2    0   20 o  523.982   19.633  3450.99  256.898  3369.70  314.982  3612.50  443.983  516.840   24.405  531.713   33.611 -14.87262 41.53660 
1 1 1    2    0   21 o  523.641   19.431  3450.27  254.085  3481.21  311.736  3389.04  438.556  524.975   23.779  513.700   34.386 11.27594 41.80715 
1 1 1    2    0   22 o  180.936   10.793  411.382   48.545  402.286   61.052  427.020   80.053  178.552   13.800  183.394   17.700 -4.841995 22.44351 
1 1 1    2    0   23 o  612.990   40.501  4938.22  616.479  4938.22  616.479   0.0000   0.0000  612.990   40.501  ?   ?  0.000000 40.50126 
1 1 1    2    0   24 o  159.153   10.429  318.836   41.221  305.860   52.506  339.681   66.549  155.408   13.669  163.332   16.545 -7.923935 21.46060 
1 1 1    2    0   25 o  217.113   10.969  593.031   59.276  603.963   74.302  573.892   98.307  218.658   13.676  212.032   18.760 6.625732 23.21615 
1 1 1    2    0   26 o  338.071   14.451  1441.36  122.002  1383.75  150.486  1551.83  208.396  329.762   18.347  346.922   24.207 -17.16006 30.37410 
1 1 1    2    0   27 o  304.454   16.908  1178.18  128.039  1092.61  185.135  1256.62  177.269  289.741   25.859  312.203   22.897 -22.46143 34.53968 
1 1 1    2    0   28 o  192.801   12.226  469.839   58.557  373.735   73.799  633.188   96.214  170.689   17.565  222.658   17.444 -51.96919 24.75467 
1 1 1    2    0   29 o  145.691   11.053  268.427   39.912  247.972   52.684  295.979   61.144  139.140   15.422  151.933   16.375 -12.79315 22.49375 
1 1 1    2    0   30 o  229.709   12.206  666.650   69.766  630.485   88.189  727.140  114.054  222.436   15.983  237.879   19.368 -15.44261 25.11159 
1 1 1    2    0   31 o  410.116   16.041  2134.49  164.285  2176.85  203.324  2054.85  278.831  412.458   19.740  394.741   28.478 17.71677 34.65063 
1 1 1    2    0   32 o  290.167   23.570  1096.87  169.310  1096.87  169.310   0.0000   0.0000  290.167   23.570  ?   ?  0.000000 23.56966 
1 1 1    2    0   33 o  404.049   16.898  2080.32  170.495  1989.48  211.788  2247.58  287.396  392.027   21.719  411.922   28.107 -19.89487 35.52060 
1 1 1    2    0   34 o  144.452   11.947  265.231   42.710  250.091   60.537  280.237   60.267  138.714   17.894  147.314   16.676 -8.601028 24.45981 
1 1 1    2    0   35 o  341.715   15.164  1488.80  129.402  1436.64  161.988  1580.80  215.117  332.877   19.573  345.181   25.129 -12.30423 31.85209 
1 1 1    2    0   36 o   98.504   17.175  128.368   40.712 -17.5289   94.040  162.019   45.163   64.919   28.871  111.060   16.810 -46.14115 33.40879 
1 1 1    2    0   37 o  106.149   12.511  145.495   32.526  199.423   54.624  115.872   40.485  122.438   18.438   92.883   18.105 29.55543 25.84058 
1 1 1    2    0   38 o  281.451   12.981  1016.40   91.235  1095.30  118.581  901.947  142.826  289.400   16.477  257.621   22.425 31.77908 27.82712 
1 1 1    2    0   39 o   94.151   14.070  117.204   32.066  146.305   58.730  104.843   38.275  101.046   23.687   87.446   18.123 13.59968 29.82495 
1 1 1    2    0   40 o   65.845   26.347   45.390   65.665   45.390   65.665   0.0000   0.0000   65.845   26.347  ?   ?  0.000000 26.34744 
1 1 1    2    0   41 o   64.351   16.769   57.474   27.219   67.052   60.357   55.028   30.497   70.425   25.991   62.841   18.313 7.583447 31.79448 
1 1 1    2    0   42 o  125.347   13.892  209.346   42.753  234.099   73.791  196.838   52.455  125.050   24.507  118.908   18.248 6.142197 30.55436 
1 1 1    2    0   43 o   88.088   16.504  108.341   34.971  127.854   73.651  102.661   39.736   87.676   28.953   84.145   19.319 3.531082 34.80647 
1 1 1    2    0   44 o   83.923   18.798  103.082   38.416   35.067  122.809  110.459   40.446   69.569   31.766   86.696   19.190 -17.12629 37.11180 
1 1 1    2    1    0 o  183.852   8.4248  422.426   38.679  426.514   54.704  418.338   54.697  184.269   11.953  182.476   12.072 1.793655 16.98808 
1 1 1    2    1    1 o  225.988   9.2718  638.369   52.324  631.914   73.991  644.826   74.003  224.324   13.268  226.625   13.133 -2.301651 18.66812 
1 1 1    2    1    2 o  196.021   8.5725  480.221   41.963  483.539   59.347  476.905   59.341  196.226   12.171  194.863   12.257 1.363571 17.27374 
1 1 1    2    1    3 f  328.240   11.481  1347.61   94.109  1366.04  133.115  1329.19  133.067  330.195   16.144  325.279   16.435 4.915802 23.03770 
1 1 1    2    1    4 o  563.823   17.742  3986.54  249.799  3966.80  353.246  4006.29  353.294  561.187   25.207  563.997   25.085 -2.810242 35.56161 
1 1 1    2    1    5 o  108.169   7.3084  146.873   19.625  146.822   27.742  146.925   27.767  107.851   10.431  107.888   10.437 -0.3741455E-01 14.75569 
1 1 1    2    1    6 o  811.414   24.872  8302.45  503.974  8347.54  712.752  8257.36  712.703  809.600   35.255  805.128   35.448 4.471924 49.99461 
1 1 1    2    1    7 o   92.491   7.3172  107.583   16.762  101.969   23.630  113.270   23.782   89.634   10.773   94.606   10.229 -4.971970 14.85561 
1 1 1    2    1    8 o   90.253   7.6588  102.567   17.098  103.965   24.112  101.154   24.250   90.484   10.890   89.200   11.129 1.284874 15.57036 
1 1 1    2    1    9 o  886.612   39.505 10228.71  874.658 10216.57  1237.07 10240.85  1236.84  865.237   57.583  866.381   57.495 -1.143555 81.37226 
1 1 1    2    1   10 o  598.503   18.566  4519.63  277.485  4389.48  392.277  4649.96  392.568  586.529   26.783  604.042   26.025 -17.51288 37.34470 
1 1 1    2    1   11 o  398.567   15.466  1997.65  153.928  2051.52  188.652  1890.34  266.244  403.237   18.735  383.685   27.981 19.55182 33.67367 
1 1 1    2    1   12 o  354.904   17.329  1584.85  153.579  1674.21  217.443  1495.90  216.944  362.699   24.145  342.358   25.560 20.34131 35.16128 
1 1 1    2    1   13 o  814.781   28.996  8429.80  589.967  8121.29  722.308  9048.11  1022.57  795.948   36.340  829.654   49.583 -33.70581 61.47447 
1 1 1    2    1   14 o  420.375   28.502  2245.36  297.429  2245.36  297.429   0.0000   0.0000  420.375   28.502  ?   ?  0.000000 28.50159 
1 1 1    2    1   15 o  439.843   16.437  2424.92  180.544  2516.69  221.398  2242.75  311.927  447.699   19.803  420.105   29.929 27.59454 35.88764 
1 1 1    2    1   16 o  499.302   18.669  3127.32  232.774  3049.28  285.190  3283.08  402.890  492.409   23.193  508.360   31.899 -15.95081 39.43896 
1 1 1    2    1   17 o  399.866   15.652  2002.85  156.287  1987.69  191.662  2032.94  269.993  398.017   19.283  400.672   27.145 -2.654724 33.29677 
1 1 1    2    1   18 o  805.853   28.674  8198.42  577.019  8086.63  706.797  8421.81  999.154  798.020   35.467  806.462   49.858 -8.442505 61.18613 
1 1 1    2    1   19 o  1072.02   46.888 14803.27  1255.22 14305.63  1775.06 15301.01  1775.23  1033.55   69.174  1071.58   66.671 -38.02942 96.07340 
1 1 1    2    1   20 o  727.990   26.075  6689.04  474.016  6702.74  580.908  6661.73  820.007  726.759   32.009  717.070   46.037 9.689270 56.07097 
1 1 1    2    1   21 o  219.231   11.802  603.389   64.373  543.825   79.792  714.423  108.942  207.664   15.498  237.742   18.496 -30.07803 24.13069 
1 1 1    2    1   22 o  588.414   21.726  4368.49  319.238  4271.23  391.358  4561.91  551.890  580.181   27.012  594.205   37.384 -14.02429 46.12175 
1 1 1    2    1   23 o  125.027   11.537  197.521   35.615  126.501   45.492  309.979   57.245   98.523   19.180  156.414   14.833 -57.89083 24.24682 
1 1 1    2    1   24 o  219.841   19.373  615.275  105.267  615.275  105.267   0.0000   0.0000  219.841   19.373  ?   ?  0.000000 19.37278 
1 1 1    2    1   25 o  117.139   10.553  173.436   30.539  150.007   39.957  206.348   47.357  108.096   15.224  127.108   15.223 -19.01127 21.52907 
1 1 1    2    1   26 o  347.562   14.688  1522.79  127.482  1457.93  157.133  1647.70  218.057  338.604   18.655  357.719   24.559 -19.11450 30.84124 
1 1 1    2    1   27 o  179.918   10.646  407.849   47.619  401.031   60.650  418.806   76.888  177.864   13.762  181.036   17.215 -3.172028 22.03961 
1 1 1    2    1   28 o  304.466   11.719  1165.92   89.099  1313.75  111.268  901.705  148.753  322.737   13.806  264.207   22.768 58.53027 26.62715 
1 1 1    2    1   29 o  381.434   18.235  1850.66  173.687  1989.82  250.443  1721.71  241.085  391.186   25.782  363.205   26.769 27.98129 37.16607 
1 1 1    2    1   30 o  296.975   13.062  1112.26   96.867  1111.99  120.811  1112.73  162.098  295.652   16.428  293.495   22.283 2.157257 27.68454 
1 1 1    2    1   31 o  337.056   14.760  1437.36  124.232  1384.00  154.325  1535.59  209.400  328.870   18.871  343.637   24.564 -14.76749 30.97559 
1 1 1    2    1   32 o  118.260   11.561  177.751   33.704  170.507   48.314  184.618   47.042  114.521   17.445  119.572   16.169 -5.051552 23.78620 
1 1 1    2    1   33 o  468.716   33.479  2963.76  389.278  2963.76  389.278   0.0000   0.0000  468.716   33.479  ?   ?  0.000000 33.47854 
1 1 1    2    1   34 f  371.983   16.138  1760.90  149.908  1670.54  187.002  1923.38  250.763  359.467   20.923  381.972   26.452 -22.50488 33.72657 
1 1 1    2    1   35 o  241.480   20.356  757.954  121.603   0.0000   0.0000  757.954  121.603  ?   ?   241.480   20.356 0.000000 20.35554 
1 1 1    2    1   36 o  110.181   20.569  162.374   54.512  162.374   54.512   0.0000   0.0000  110.181   20.569  ?   ?  0.000000 20.56855 
1 1 1    2    1   37 o  124.211   13.976  199.423   42.596  325.188   97.385  169.669   47.368  153.480   26.359  113.418   17.270 40.06217 31.51243 
1 1 1    2    1   38 o  201.210   13.055  520.021   65.240  478.752   88.263  569.726   96.863  190.187   18.832  207.568   18.894 -17.38054 26.67629 
1 1 1    2    1   39 o  198.120   11.814  503.814   58.183  589.836   81.875  416.056   82.697  212.364   15.547  176.120   19.110 36.24426 24.63521 
1 1 1    2    1   40 o   70.191   15.519   66.890   26.479  109.348   55.847   54.577   30.075   86.746   24.631   63.092   18.128 23.65421 30.58302 
1 1 1    2    1   41 f   71.217   28.164   60.075   74.193   60.075   74.193   0.0000   0.0000   71.217   28.164  ?   ?  0.000000 28.16355 
1 1 1    2    1   42 o  104.111   15.198  146.107   38.349  121.624   69.851  156.671   45.881   88.376   28.121  106.442   17.896 -18.06596 33.33283 
1 1 1    2    1   43 o   80.639   16.810   90.830   32.754   73.946   70.848   95.419   36.938   72.526   27.851   81.870   18.503 -9.343925 33.43671 
1 1 1    2    1   44 o   56.695   17.875   45.178   28.273   1.0179   73.313   52.893   30.644   55.874   25.122   60.785   18.518 -4.911175 31.20971 
1 1 1    2    2    0 o  1177.24   51.445 17900.36  1512.36 17872.96  2138.75 17927.76  2138.85  1153.42   74.654  1155.32   74.533 -1.900391 105.4915 
1 1 1    2    2    1 o  398.525   13.352  1987.62  132.880  1953.85  187.886  2021.42  187.955  394.652   19.065  401.449   18.749 -6.796967 26.73908 
1 1 1    2    2    2 o  460.384   20.924  2661.58  240.553  2939.08  340.621  2385.47  339.768  481.819   28.436  433.164   31.629 48.65460 42.53261 
1 1 1    2    2    3 o  125.084   10.439  196.995   32.308  244.460   45.753  149.792   45.627  139.126   13.333  107.943   17.528 31.18345 22.02248 
1 1 1    2    2    4 o  884.405   38.141  9961.04  842.354 10751.75  1192.48  9173.54  1190.06  909.418   52.736  836.818   57.294 72.59961 77.86949 
1 1 1    2    2    5 o  138.731   7.6694  241.247   26.466  234.910   37.422  247.588   37.436  136.597   11.066  140.288   10.768 -3.691193 15.44049 
1 1 1    2    2    6 o  364.195   12.414  1660.09  112.898  1666.10  159.655  1654.07  159.669  364.420   17.544  363.095   17.610 1.324341 24.85744 
1 1 1    2    2    7 o  301.691   10.877  1138.78   81.945  1146.24  115.856  1131.31  115.919  301.976   15.415  299.983   15.527 1.993286 21.87966 
1 1 1    2    2    8 o  274.713   10.362  944.350   71.083  943.167  100.496  945.533  100.559  273.840   14.750  274.186   14.741 -0.3456726 20.85342 
1 1 1    2    2    9 o  131.638   7.8309  217.464   25.626  224.422   36.195  210.470   36.287  133.419   10.961  129.127   11.369 4.291916 15.79226 
1 1 1    2    2   10 o  120.736   9.0783  183.476   27.171  254.452   38.959  116.263   37.912  142.072   11.069   94.753   16.629 47.31924 19.97616 
1 1 1    2    2   11 o  377.205   26.383  1822.54  246.946   0.0000   0.0000  1822.54  246.946  ?   ?   377.205   26.383 0.000000 26.38258 
1 1 1    2    2   12 o  441.875   20.786  2466.95  229.359  2466.95  229.359   0.0000   0.0000  441.875   20.786  ?   ?  0.000000 20.78578 
1 1 1    2    2   13 o  735.275   26.419  6854.60  485.076  6774.89  594.094  7014.02  840.177  728.057   32.677  731.124   46.257 -3.066345 56.63432 
1 1 1    2    2   14 o  469.035   17.610  2761.66  206.261  2617.20  252.574  3050.87  357.376  455.884   22.186  489.813   29.353 -33.92819 36.79434 
1 1 1    2    2   15 f  516.114   33.813  3396.22  433.389  3396.22  433.389   0.0000   0.0000  516.114   33.813  ?   ?  0.000000 33.81337 
1 1 1    2    2   16 o  391.632   15.185  1921.04  148.508  1949.16  182.125  1865.24  256.545  394.190   18.502  383.702   26.945 10.48770 32.68575 
1 1 1    2    2   17 f  295.579   12.197  1092.98   90.030  1149.82  110.649  981.631  154.865  303.039   14.622  278.588   22.451 24.45123 26.79289 
1 1 1    2    2   18 f  225.669   10.421  636.774   58.727  681.553   72.521  551.470  100.095  233.062   12.506  208.753   19.424 24.30894 23.10196 
1 1 1    2    2   19 o  879.975   31.114  9797.66  683.726  9484.27  837.284 10424.93  1184.55  862.606   38.870  895.016   53.240 -32.41034 65.91893 
1 1 1    2    2   20 o  844.500   36.689  9084.75  773.731  8145.11  1093.52 10026.78  1094.92  787.660   55.960  878.439   50.121 -90.77893 75.12410 
1 1 1    2    2   21 o  616.230   22.247  4781.58  342.345  4763.19  419.725  4818.11  591.722  613.717   27.387  612.172   38.909 1.544922 47.58141 
1 1 1    2    2   22 o  562.061   20.875  3979.45  292.993  3868.10  359.192  4200.84  506.491  552.799   26.020  571.665   35.657 -18.86652 44.14184 
1 1 1    2    2   23 o  507.957   19.170  3250.46  243.166  3200.85  298.344  3348.62  419.695  502.872   23.758  510.110   33.127 -7.238098 40.76539 
1 1 1    2    2   24 o  115.340   11.106  168.228   31.594  127.458   40.945  228.222   49.669   99.230   17.144  133.917   15.117 -34.68686 22.85680 
1 1 1    2    2   25 o  174.996   18.056  390.694   77.770  390.694   77.770   0.0000   0.0000  174.996   18.056  ?   ?  0.000000 18.05596 
1 1 1    2    2   26 o  212.073   12.000  566.659   63.289  493.168   78.948  698.827  105.873  197.036   16.188  234.296   18.239 -37.26042 24.38702 
1 1 1    2    2   27 o  131.593   10.704  218.789   34.871  200.085   45.646  245.005   54.040  125.083   14.907  138.381   15.929 -13.29773 21.81635 
1 1 1    2    2   28 o  380.624   15.459  1830.95  146.939  1798.38  181.153  1893.58  251.239  375.462   19.387  381.825   26.514 -6.363525 32.84574 
1 1 1    2    2   29 o  291.860   13.451  1074.00   98.031  1013.39  121.683  1186.09  165.476  282.090   17.358  303.532   21.980 -21.44174 28.00770 
1 1 1    2    2   30 o  319.543   18.353  1303.32  145.836  1077.27  210.638  1511.44  202.112  285.189   30.028  341.701   23.835 -56.51239 38.33829 
1 1 1    2    2   31 o  159.214   10.186  319.717   40.285  367.154   54.357  261.914   60.003  170.177   12.887  142.622   17.194 27.55464 21.48729 
1 1 1    2    2   32 o   57.943   14.102   44.107   20.211   35.711   35.749   48.052   24.503   56.585   20.121   60.486   15.982 -3.901012 25.69615 
1 1 1    2    2   33 f   99.216   13.672  126.646   32.975   55.317   48.348  188.685   45.090   68.103   23.460  121.111   15.247 -53.00819 27.97906 
1 1 1    2    2   34 o  419.644   30.632  2351.68  318.783  2351.68  318.783   0.0000   0.0000  419.644   30.632  ?   ?  0.000000 30.63186 
1 1 1    2    2   35 o  181.707   17.931  426.187   80.300   0.0000   0.0000  426.187   80.300  ?   ?   181.707   17.931 0.000000 17.93063 
1 1 1    2    2   36 o  185.024   11.966  434.604   54.992  451.157   75.988  416.402   79.683  187.194   16.422  179.220   18.050 7.974075 24.40238 
1 1 1    2    2   37 o   65.440   16.359   57.100   26.660 -21.4493   49.117   89.906   31.742   45.384   20.469   82.424   15.999 -37.03977 25.97995 
1 1 1    2    2   38 o  256.934   12.473  840.915   80.027  909.378  105.101  746.459  123.450  265.098   15.951  236.991   21.080 28.10675 26.43446 
1 1 1    2    2   39 o  200.563   14.721  521.902   73.214  607.647  129.422  481.549   88.787  209.254   25.280  190.296   18.935 18.95816 31.58521 
1 1 1    2    2   40 o   49.030   15.900   30.842   22.251   2.5465   52.907   36.923   24.525   51.558   22.321   53.019   16.638 -1.461815 27.83954 
1 1 1    2    2   41 o  126.820   13.510  210.941   42.126  204.983   68.789  214.517   53.287  119.291   23.924  125.991   17.401 -6.699715 29.58344 
1 1 1    2    2   42 o  145.546   13.820  279.116   49.628  257.657   78.260  293.550   64.183  132.802   24.501  146.806   17.877 -14.00407 30.32974 
1 1 1    2    2   43 o   70.124   27.632   62.133   71.179   62.133   71.179   0.0000   0.0000   70.124   27.632  ?   ?  0.000000 27.63187 
1 1 1    2    2   44 o   54.237   17.271   40.388   26.343   22.039   71.331   43.286   28.347   59.888   25.923   55.977   17.925 3.911655 31.51665 
1 1 1    2    2   45 o   58.937   17.715   49.653   28.182  142.469   79.502   36.314   30.139   90.060   30.096   52.289   18.488 37.77131 35.32045 
1 1 1    2    3    0 f  344.815   17.052  1490.34  146.830  1506.02  207.672  1474.68  207.625  345.108   24.252  341.433   24.515 3.675171 34.48337 
1 1 1    2    3    1 o  554.784   24.955  3874.85  345.724  3773.56  488.764  3976.28  489.090  543.888   36.193  558.670   35.238 -14.78284 50.51411 
1 1 1    2    3    2 o  409.983   15.770  2105.66  161.449  2155.68  197.786  2005.79  279.494  414.503   19.108  397.709   28.327 16.79337 34.16942 
1 1 1    2    3    3 f  264.308   13.864  876.899   91.187  1033.75  129.178  721.112  128.740  286.535   18.147  238.573   21.852 47.96237 28.40485 
1 1 1    2    3    4 o  135.840   10.869  232.248   36.560  220.719   51.684  243.794   51.724  131.759   16.039  138.692   15.182 -6.933273 22.08521 
1 1 1    2    3    5 o  517.477   23.516  3370.34  303.888  3405.15  429.817  3335.56  429.708  517.010   33.471  511.567   33.828 5.442749 47.58851 
1 1 1    2    3    6 o  200.646   12.366  505.758   61.656  541.779   87.254  469.835   87.137  207.152   17.018  192.623   18.336 14.52940 25.01652 
1 1 1    2    3    7 o  554.178   17.102  3853.84  236.667  3897.30  334.712  3810.39  334.685  555.925   24.110  549.629   24.385 6.295959 34.29167 
1 1 1    2    3    8 o  141.604   7.7000  251.399   27.126  242.557   38.304  260.294   38.420  138.764   11.148  143.818   10.776 -5.054932 15.50488 
1 1 1    2    3    9 o  136.435   7.8081  233.519   26.492  221.395   37.406  245.720   37.524  132.464   11.420  139.669   10.844 -7.204163 15.74802 
1 1 1    2    3   10 o  384.883   14.901  1861.39  143.219  1829.29  175.416  1925.57  248.037  380.909   18.442  388.233   25.730 -7.323853 31.65644 
1 1 1    2    3   11 o  321.649   13.181  1298.63  105.875  1252.00  129.680  1391.85  183.350  314.918   16.548  330.643   22.337 -15.72522 27.79895 
1 1 1    2    3   12 o  518.740   23.769  3414.17  307.897  3404.21  435.696  3424.11  435.169  512.598   34.234  514.182   34.085 -1.584167 48.30890 
1 1 1    2    3   13 f  293.077   12.561  1076.48   91.927  1000.36  112.608  1228.56  159.163  281.739   16.072  311.458   20.580 -29.71851 26.11233 
1 1 1    2    3   14 o  445.175   16.891  2487.65  187.774  2520.44  230.120  2422.32  324.824  447.523   20.592  435.823   30.029 11.69986 36.41117 
1 1 1    2    3   15 o  367.455   14.646  1691.48  134.395  1646.64  164.701  1780.83  232.491  361.762   18.291  375.050   24.966 -13.28775 30.94951 
1 1 1    2    3   16 o  670.086   23.816  5650.31  398.526  5318.98  487.869  6314.82  690.903  648.632   30.120  702.573   39.541 -53.94104 49.70587 
1 1 1    2    3   17 o  285.701   21.643  1031.19  153.266  1031.19  153.266   0.0000   0.0000  285.701   21.643  ?   ?  0.000000 21.64311 
1 1 1    2    3   18 o  270.513   12.485  915.535   84.339  823.687  103.545  1096.58  145.375  255.891   16.289  294.942   19.853 -39.05109 25.68040 
1 1 1    2    3   19 o  731.605   26.189  6744.38  478.458  6610.09  586.093  7012.67  828.420  722.517   32.484  738.154   45.159 -15.63733 55.62875 
1 1 1    2    3   20 o  282.135   12.232  996.014   86.180  1013.38  106.188  962.509  147.505  284.036   15.024  275.900   21.581 8.135590 26.29620 
1 1 1    2    3   21 o  199.141   11.951  498.064   59.154  374.230   73.169  731.725  100.508  171.859   17.284  240.959   16.809 -69.09929 24.10925 
1 1 1    2    3   22 o  321.937   16.395  1303.94  131.372  1337.71  188.308  1271.92  183.367  324.841   23.370  316.715   23.349 8.126068 33.03567 
1 1 1    2    3   23 o  884.070   31.647  9977.90  698.674  9877.33  855.987 10178.65  1209.32  874.488   39.198  871.492   55.862 2.996521 68.24285 
1 1 1    2    3   24 o  334.400   13.694  1403.26  114.352  1438.54  141.045  1335.59  195.340  338.164   16.702  323.615   24.350 14.54831 29.52818 
1 1 1    2    3   25 o  271.006   13.040  922.054   88.252  821.495  109.082  1112.59  150.151  254.714   17.251  295.841   20.450 -41.12688 26.75451 
1 1 1    2    3   26 o  259.753   12.089  847.161   78.418  835.297   97.455  868.952  132.073  257.066   15.249  260.970   20.429 -3.903900 25.49311 
1 1 1    2    3   27 o  442.142   30.675  2552.59  336.590  2552.59  336.590   0.0000   0.0000  442.142   30.675  ?   ?  0.000000 30.67491 
1 1 1    2    3   28 o  701.958   25.981  6354.95  455.432  6055.17  558.200  6951.87  787.668  678.666   32.937  711.517   44.556 -32.85162 55.40796 
1 1 1    2    3   29 o  455.834   17.990  2638.14  204.784  2541.22  251.812  2827.42  351.910  444.645   22.755  463.858   30.552 -19.21353 38.09423 
1 1 1    2    3   30 o  123.422   9.8339  192.400   30.057  234.528   41.949  147.951   43.089  135.912   12.500  106.824   16.699 29.08763 20.85949 
1 1 1    2    3   31 f  460.055   21.695  2713.69  249.245  2788.79  356.711  2642.04  348.407  459.042   31.305  446.649   31.438 12.39340 44.36571 
1 1 1    2    3   32 o  146.311   10.951  270.655   39.721  279.096   54.103  260.785   58.503  147.832   14.857  142.408   16.773 5.424088 22.40626 
1 1 1    2    3   33 o  216.900   12.736  595.303   68.680  521.547   87.916  710.795  110.013  201.717   17.630  235.298   18.882 -33.58086 25.83326 
1 1 1    2    3   34 o  205.945   13.654  538.345   69.824  410.142   90.098  731.122  110.483  177.652   20.697  238.566   18.695 -60.91428 27.89042 
1 1 1    2    3   35 o  197.662   16.414  500.458   80.288  500.458   80.288   0.0000   0.0000  197.662   16.414  ?   ?  0.000000 16.41432 
1 1 1    2    3   36 o  111.252   25.140  168.305   68.200  168.305   68.200   0.0000   0.0000  111.252   25.140  ?   ?  0.000000 25.14045 
1 1 1    2    3   37 o  187.676   11.714  447.263   54.624  490.952   75.918  400.366   78.655  195.402   15.691  175.430   18.220 19.97269 24.04535 
1 1 1    2    3   38 o  172.120   12.354  378.324   52.746  371.133   74.280  385.638   74.912  168.426   17.937  171.811   17.714 -3.385315 25.20969 
1 1 1    2    3   39 o  198.402   13.286  505.871   65.443  441.285   87.860  586.360   98.082  182.207   19.619  210.753   18.835 -28.54535 27.19667 
1 1 1    2    3   40 o   61.532   16.936   51.200   26.845  -9.5621   89.276   57.240   28.148   62.970   28.059   64.918   17.118 -1.947159 32.86887 
1 1 1    2    3   41 o  158.830   12.826  327.371   50.437  338.487   75.715  318.504   67.626  157.663   19.658  153.946   17.927 3.717194 26.60458 
1 1 1    2    3   42 o  132.513   14.233  231.715   46.360  175.208   74.293  267.752   59.330  107.465   27.554  140.870   17.224 -33.40431 32.49440 
1 1 1    2    3   43 o   80.848   15.888   89.422   30.933  117.036   67.639   82.119   34.783   87.309   27.661   76.421   18.439 10.88868 33.24308 
1 1 1    2    3   44 f   67.316   29.249   32.732   91.506   32.732   91.506   0.0000   0.0000   67.316   29.249  ?   ?  0.000000 29.24879 
1 1 1    2    3   45 o   43.648   16.320   21.560   23.951   47.921   76.485   18.694   25.219   66.042   27.644   42.814   16.569 23.22809 32.22947 
1 1 1    2    4    0 o  231.316   13.275  671.952   76.361  614.309  107.871  729.849  108.110  220.320   19.819  240.537   18.132 -20.21664 26.86144 
1 1 1    2    4    1 o  406.915   19.305  2078.16  196.165  2063.70  277.382  2092.62  277.456  403.477   27.698  406.348   27.505 -2.871887 39.03451 
1 1 1    2    4    2 o  170.366   11.693  364.789   49.446  361.558   69.907  368.023   69.948  169.015   16.785  170.555   16.635 -1.539108 23.63202 
1 1 1    2    4    3 o  191.084   12.198  458.696   57.900  478.567   81.924  438.865   81.842  194.648   17.026  186.227   17.816 8.420868 24.64327 
1 1 1    2    4    4 o  275.471   14.460  952.913   99.123  1078.73  140.342  827.669  140.022  292.522   19.321  255.629   22.154 36.89337 29.39555 
1 1 1    2    4    7 o  203.141   11.598  518.125   58.591  655.174   83.017  382.108   82.704  228.180   14.647  173.304   19.446 54.87619 24.34466 
1 1 1    2    4    8 o  552.896   24.981  3864.10  344.909  3821.02  487.648  3907.23  487.903  545.127   36.026  551.445   35.621 -6.317566 50.66293 
1 1 1    2    4    9 o  210.435   8.5118  553.869   44.729  531.619   63.182  576.224   63.331  205.600   12.364  214.136   11.890 -8.536224 17.15324 
1 1 1    2    4   10 o  259.785   20.410  857.629  131.342   0.0000   0.0000  857.629  131.342  ?   ?   259.785   20.410 0.000000 20.41023 
1 1 1    2    4   11 o  493.377   22.595  3086.65  278.380  3086.65  278.380   0.0000   0.0000  493.377   22.595  ?   ?  0.000000 22.59480 
1 1 1    2    4   12 o  257.725   11.575  832.569   74.495  818.881   91.317  859.801  128.804  254.928   14.403  260.172   19.978 -5.244308 24.62854 
1 1 1    2    4   13 o  275.027   14.455  951.914   98.929  1027.38  140.324  877.339  139.494  284.788   19.856  262.737   21.448 22.05060 29.22796 
1 1 1    2    4   14 o  217.166   10.458  590.113   56.717  604.395   69.629  561.953   97.772  219.294   12.770  210.600   18.789 8.693848 22.71755 
1 1 1    2    4   15 o  479.528   17.938  2885.76  214.798  2840.50  263.155  2976.11  371.808  475.114   22.180  483.611   30.950 -8.497040 38.07676 
1 1 1    2    4   16 o  871.272   30.866  9605.36  671.555  9438.03  822.424  9940.17  1163.33  860.596   38.269  873.318   53.603 -12.72101 65.86160 
1 1 1    2    4   17 o  510.594   18.785  3270.25  239.524  3006.49  293.239  3799.04  415.196  488.853   24.021  547.448   30.492 -58.59415 38.81728 
1 1 1    2    4   18 o  690.093   43.982  6116.71  753.990  6116.71  753.990   0.0000   0.0000  690.093   43.982  ?   ?  0.000000 43.98210 
1 1 1    2    4   19 o  674.536   24.266  5724.95  408.749  5743.71  500.868  5687.54  707.255  674.344   29.743  665.707   42.771 8.637512 52.09615 
1 1 1    2    4   20 o  156.943   9.6680  309.105   37.706  313.742   47.155  300.883   62.790  157.901   12.050  154.060   16.582 3.840439 20.49810 
1 1 1    2    4   21 o  341.876   13.152  1463.20  112.285  1576.67  138.295  1243.69  192.348  354.694   15.614  313.188   24.797 41.50543 29.30309 
1 1 1    2    4   22 o  356.529   14.944  1593.35  133.054  1452.72  163.395  1870.14  229.231  339.442   19.356  384.348   24.004 -44.90610 30.83576 
1 1 1    2    4   23 o  760.089   32.654  7374.58  619.807  5978.73  875.332  8778.18  877.753  671.072   52.657  821.788   42.921 -150.7163 67.93340 
1 1 1    2    4   24 f  743.003   26.846  7017.13  498.098  6781.37  610.259  7487.65  862.123  726.763   33.626  753.494   46.039 -26.73059 57.01132 
1 1 1    2    4   25 o  186.890   11.275  439.340   52.372  397.225   65.707  512.702   86.723  177.149   14.994  200.988   17.452 -23.83960 23.00856 
1 1 1    2    4   26 o  354.836   14.581  1584.02  129.200  1561.72  159.201  1627.04  221.126  351.135   18.219  356.209   25.018 -5.074493 30.94847 
1 1 1    2    4   27 o  226.868   11.701  647.983   66.064  614.864   82.549  706.987  110.183  220.369   15.091  235.491   18.896 -15.12245 24.18254 
1 1 1    2    4   28 o  440.738   30.698  2542.36  335.752  2542.36  335.752   0.0000   0.0000  440.738   30.698  ?   ?  0.000000 30.69778 
1 1 1    2    4   29 o  136.756   10.728  236.284   36.342  218.122   47.801  261.161   55.944  130.623   14.922  142.862   15.954 -12.23868 21.84478 
1 1 1    2    4   30 o  290.015   12.023  1058.24   87.074  1150.22  108.973  895.800  144.814  301.845   14.457  263.562   22.210 38.28299 26.50073 
1 1 1    2    4   31 o  246.966   13.497  771.454   82.921  648.519  103.625  990.317  138.265  225.029   18.608  277.871   20.061 -52.84225 27.36190 
1 1 1    2    4   32 o  178.026   11.574  400.402   51.175  366.285   66.560  449.729   80.034  169.335   15.928  187.430   17.295 -18.09596 23.51148 
1 1 1    2    4   33 o  199.356   15.941  506.829   78.694  322.644  122.494  636.264  102.687  153.267   32.982  222.707   18.635 -69.44000 37.88284 
1 1 1    2    4   34 o  184.223   17.813  436.013   80.923   0.0000   0.0000  436.013   80.923  ?   ?   184.223   17.813 0.000000 17.81279 
1 1 1    2    4   35 o  156.208   11.950  309.361   46.260  288.410   64.078  332.166   66.853  149.485   17.497  160.719   16.911 -11.23381 24.33344 
1 1 1    2    4   36 o  238.149   13.600  720.272   80.546  627.730  103.479  862.531  128.299  220.492   18.979  258.229   20.053 -37.73758 27.61019 
1 1 1    2    4   37 o  260.312   23.729  894.062  152.557  894.062  152.557   0.0000   0.0000  260.312   23.729  ?   ?  0.000000 23.72924 
1 1 1    2    4   38 o  277.547   12.326  977.325   85.433  1098.30  111.850  807.906  132.365  292.571   15.363  247.499   21.634 45.07208 26.53388 
1 1 1    2    4   39 o  160.609   12.754  330.739   50.732  301.217   72.640  358.851   70.883  150.478   19.813  165.531   17.409 -15.05344 26.37430 
1 1 1    2    4   40 o   99.834   13.363  129.964   32.478  160.970   59.451  116.774   38.775  107.540   22.843   93.254   17.288 14.28664 28.64730 
1 1 1    2    4   41 o   65.237   16.257   57.838   26.389  189.403   93.217   46.375   27.515  110.949   31.926   58.729   17.471 52.22009 36.39375 
1 1 1    2    4   42 o   70.844   16.434   68.695   28.510   39.111   61.851   76.676   32.126   63.545   25.520   74.566   17.546 -11.02066 30.96973 
1 1 1    2    4   43 o  159.554   12.832  332.295   50.696  411.914   81.997  283.025   64.502  173.278   19.276  143.966   18.360 29.31261 26.62060 
1 1 1    2    4   44 o  193.558   13.677  493.626   65.681  508.191   97.430  481.493   88.925  190.059   20.872  186.374   19.391 3.684921 28.48926 
1 1 1    2    4   45 o   62.590   28.532  -4.4902   98.564  -4.4902   98.564   0.0000   0.0000   62.590   28.532  ?   ?  0.000000 28.53176 
1 1 1    2    4   46 o   91.999   17.017  119.404   37.654  120.482   84.996  119.141   42.000   83.597   30.845   90.548   19.172 -6.951073 36.31757 
1 1 1    2    5    0 o  767.339   33.728  7481.48  646.295  7463.72  913.935  7499.25  914.062  758.055   48.534  759.933   48.419 -1.877930 68.55662 
1 1 1    2    5    1 o  755.774   33.223  7250.50  627.028  7217.23  886.673  7283.78  886.829  746.151   47.839  749.724   47.615 -3.572266 67.49638 
1 1 1    2    5    2 o  549.177   24.318  3798.74  333.497  3420.69  470.979  4178.90  472.294  517.046   36.716  572.959   33.151 -55.91217 49.46774 
1 1 1    2    5    3 o   54.016   10.118   37.675   13.147   34.285   18.528   41.113   18.657   51.502   14.027   56.187   13.472 -4.684216 19.44831 
1 1 1    2    5    4 o  557.003   24.791  3909.86  344.828  4236.27  488.155  3584.77  487.167  576.480   34.061  529.112   37.105 47.36823 50.36810 
1 1 1    2    5    5 o  288.718   21.690  1054.23  155.239   0.0000   0.0000  1054.23  155.239  ?   ?   288.718   21.690 0.000000 21.69009 
1 1 1    2    5   10 o  386.070   18.590  1879.32  179.225  1879.32  179.225   0.0000   0.0000  386.070   18.590  ?   ?  0.000000 18.59010 
1 1 1    2    5   11 o  305.258   12.709  1169.20   96.877  1131.52  118.655  1244.54  167.778  299.468   15.924  312.781   21.613 -13.31302 26.84580 
1 1 1    2    5   12 o  379.763   14.844  1812.31  140.771  1878.40  172.540  1680.72  243.451  386.066   17.897  362.070   27.123 23.99567 32.49540 
1 1 1    2    5   13 o  132.584   8.8664  220.899   29.186  220.226   35.887  222.214   50.157  132.155   10.974  132.117   15.497 0.3834534E-01 18.98909 
1 1 1    2    5   14 o  243.289   11.327  740.949   68.815  675.673   84.345  870.900  119.007  231.667   14.655  262.599   18.262 -30.93233 23.41495 
1 1 1    2    5   15 o  545.676   24.306  3753.62  331.202  4033.35  469.103  3475.58  467.681  562.275   33.563  520.898   36.178 41.37677 49.34890 
1 1 1    2    5   16 o  147.043   9.4127  271.412   34.381  259.170   42.422  294.844   58.691  143.432   11.953  152.614   15.620 -9.181824 19.66891 
1 1 1    2    5   17 o  715.756   25.568  6451.74  457.001  6207.00  559.593  6941.83  791.879  700.357   31.996  735.414   43.311 -35.05701 53.84804 
1 1 1    2    5   18 o  804.448   28.031  8161.41  563.107  7567.84  689.171  9353.65  976.726  772.241   35.737  852.890   46.030 -80.64893 58.27448 
1 1 1    2    5   19 o  331.383   13.489  1374.36  111.621  1392.38  137.095  1338.95  192.251  333.355   16.469  325.425   23.823 7.930450 28.96134 
1 1 1    2    5   20 o  134.863   16.486  231.294   54.366  231.294   54.366   0.0000   0.0000  134.863   16.486  ?   ?  0.000000 16.48615 
1 1 1    2    5   21 o  773.319   27.517  7550.04  531.378  7241.90  650.758  8166.57  920.497  754.992   34.516  794.920   46.574 -39.92834 57.97042 
1 1 1    2    5   22 o  593.933   21.579  4438.76  320.047  4025.17  391.894  5266.97  554.568  564.147   27.818  642.173   34.711 -78.02625 44.48256 
1 1 1    2    5   23 o  1004.01   35.710 12903.29  895.308 12554.15  1096.48 13601.70  1550.83  983.552   44.643  1004.64   62.121 -21.08673 76.49857 
1 1 1    2    5   24 o  670.228   24.416  5687.33  408.650  5419.85  500.700  6220.96  707.218  651.635   30.770  691.151   41.162 -39.51593 51.39180 
1 1 1    2    5   25 o  190.622   14.195  458.746   67.084  353.017   99.056  548.323   91.177  164.992   24.810  207.908   17.731 -42.91612 30.49446 
1 1 1    2    5   26 o  563.072   21.131  4017.91  297.121  3782.62  364.273  4485.59  513.573  543.892   26.820  586.372   35.237 -42.47974 44.28291 
1 1 1    2    5   27 o  277.957   12.421  970.508   86.213  971.778  107.029  968.164  145.487  277.249   15.521  275.229   21.335 2.020294 26.38334 
1 1 1    2    5   28 o  400.298   16.279  2024.35  162.725  1928.60  200.241  2210.54  279.232  388.803   20.698  413.194   27.214 -24.39127 34.19139 
1 1 1    2    5   29 o  232.305   20.376  692.307  117.011  692.307  117.011   0.0000   0.0000  232.305   20.376  ?   ?  0.000000 20.37641 
1 1 1    2    5   30 o  210.179   11.510  556.957   60.183  542.714   76.407  580.237   97.684  206.789   14.896  212.927   18.557 -6.138046 23.79612 
1 1 1    2    5   31 o  111.660   11.417  158.368   31.387  134.364   43.433  184.608   45.410  101.461   17.791  119.856   15.537 -18.39562 23.62059 
1 1 1    2    5   32 o  194.276   11.719  476.559   56.588  445.106   72.842  524.434   89.868  186.881   15.756  202.373   17.970 -15.49228 23.89879 
1 1 1    2    5   33 o  310.729   13.944  1219.14  108.199  1191.37  135.163  1268.68  180.534  305.616   17.787  313.109   23.256 -7.492889 29.27817 
1 1 1    2    5   34 o  242.883   15.839  750.847   95.544  665.043  146.171  814.854  126.247  224.653   26.570  251.582   20.267 -26.92944 33.41731 
1 1 1    2    5   35 o  223.002   12.146  628.665   67.384  628.573   87.865  628.797  104.997  222.001   15.956  221.006   19.216 0.9952545 24.97691 
1 1 1    2    5   36 o  287.340   13.229  1043.72   94.922  1062.13  120.934  1014.16  153.195  288.295   16.872  279.390   22.139 8.905060 27.83480 
1 1 1    2    5   37 o  314.134   14.822  1254.12  116.270  1179.36  146.643  1380.68  190.802  302.109   19.542  324.452   23.714 -22.34280 30.72869 
1 1 1    2    5   38 o   81.612   27.501   85.835   66.392   85.835   66.392   0.0000   0.0000   81.612   27.501  ?   ?  0.000000 27.50127 
1 1 1    2    5   39 o   81.314   15.105   87.275   29.543   48.591   55.630  102.471   34.866   66.634   24.881   87.889   16.492 -21.25433 29.85008 
1 1 1    2    5   40 o  100.011   13.512  130.244   32.881  138.139   58.480  126.595   39.762   99.419   23.859   97.478   16.950 1.941536 29.26722 
1 1 1    2    5   41 f  156.287   12.568  315.068   48.634  323.314   72.875  308.445   65.305  155.130   19.224  152.401   17.475 2.728760 25.97959 
1 1 1    2    5   42 o  131.603   13.096  225.620   42.466  251.154   71.567  211.744   52.757  134.138   22.138  125.570   17.283 8.568039 28.08500 
1 1 1    2    5   43 o  223.520   16.608  665.521   92.041  590.093  153.832  707.581  114.872  194.036   32.925  226.883   20.496 -32.84705 38.78305 
1 1 1    2    5   44 o  135.558   13.899  242.752   46.386  250.624   80.267  238.805   56.838  129.864   25.661  132.306   17.643 -2.441803 31.14123 
1 1 1    2    5   45 o   47.269   16.475   28.028   23.879   42.616   74.332   26.349   25.215   65.762   27.366   46.800   16.871 18.96194 32.14874 
1 1 1    2    5   46 o  124.456   15.565  211.432   47.317  186.038   90.882  220.876   55.421  102.760   31.993  125.341   18.241 -22.58136 36.82774 
1 1 1    2    6    0 o  361.927   25.401  1662.02  228.118  1662.02  228.118   0.0000   0.0000  361.927   25.401  ?   ?  0.000000 25.40082 
1 1 1    2    6    1 o  568.713   25.578  4083.17  363.253  4013.01  513.554  4153.41  513.881  559.341   36.976  569.339   36.334 -9.998840 51.83966 
1 1 1    2    6    2 o  923.069   40.453 10924.17  932.477 10951.97  1318.72 10896.38  1318.72  909.952   58.342  907.492   58.503 2.460388 82.62186 
1 1 1    2    6    3 o  194.496   12.287  475.361   59.369  521.082   83.985  429.695   83.935  203.150   16.703  184.086   18.510 19.06377 24.93202 
1 1 1    2    6    4 o  944.281   41.380 11448.18  975.760 11583.34  1380.09 11313.08  1379.77  934.732   59.434  923.043   60.189 11.68823 84.58780 
1 1 1    2    6    5 o  296.073   15.437  1101.91  113.738  1087.95  160.788  1115.89  160.912  293.150   22.127  296.959   21.853 -3.809479 31.09906 
1 1 1    2    6    6 o  938.515   60.801 11764.06  1417.31   0.0000   0.0000 11764.06  1417.31  ?   ?   938.515   60.801 0.000000 60.80138 
1 1 1    2    6   10 o  150.675   16.072  288.766   59.541   0.0000   0.0000  288.766   59.541  ?   ?   150.675   16.072 0.000000 16.07246 
1 1 1    2    6   11 o  513.882   34.231  3428.77  436.758  3428.77  436.758   0.0000   0.0000  513.882   34.231  ?   ?  0.000000 34.23097 
1 1 1    2    6   12 o  327.061   13.425  1342.60  109.644  1336.33  134.332  1355.10  189.778  325.439   16.584  326.039   23.466 -0.5998840 28.73500 
1 1 1    2    6   13 o  452.992   17.186  2581.24  194.404  2568.96  238.149  2605.76  336.569  451.056   21.143  450.780   30.072 0.2767639 36.76057 
1 1 1    2    6   14 o  105.095   9.2845  139.222   24.116  110.631   29.704  194.504   41.305   93.057   13.149  123.846   13.578 -30.78918 18.90144 
1 1 1    2    6   15 o  695.150   24.615  6093.81  427.296  5728.00  523.022  6828.01  740.969  671.963   31.169  728.480   40.897 -56.51782 51.42059 
1 1 1    2    6   16 o  451.683   19.717  2561.62  222.397  1910.88  313.818  3218.20  315.220  386.899   32.789  505.420   24.975 -118.5212 41.21793 
1 1 1    2    6   17 o  814.362   28.862  8371.86  586.931  8118.95  718.708  8878.25  1016.97  799.546   35.996  828.640   49.370 -29.09357 61.09961 
1 1 1    2    6   18 o  642.653   23.175  5192.14  371.920  4977.01  455.448  5622.74  644.353  627.977   29.043  663.536   39.060 -35.55902 48.67405 
1 1 1    2    6   19 o  529.962   19.590  3524.05  259.261  3326.30  317.548  3919.42  448.999  514.130   24.734  555.609   32.503 -41.47888 40.84345 
1 1 1    2    6   20 o  497.784   18.574  3108.10  230.887  2971.25  282.936  3380.89  399.461  486.063   23.310  516.133   31.139 -30.07071 38.89700 
1 1 1    2    6   21 o  470.719   31.321  2817.33  366.066  2817.33  366.066   0.0000   0.0000  470.719   31.321  ?   ?  0.000000 31.32081 
1 1 1    2    6   22 o  608.127   22.220  4654.20  337.441  4443.57  413.401  5074.71  584.121  592.856   27.924  629.475   37.326 -36.61902 46.61531 
1 1 1    2    6   23 o  670.472   24.128  5674.46  403.967  5735.01  495.237  5554.08  698.340  672.234   29.501  654.390   42.973 17.84454 52.12532 
1 1 1    2    6   24 o  324.614   14.094  1321.54  114.246  1217.24  140.535  1524.80  196.179  310.562   18.201  346.728   22.784 -36.16602 29.16156 
1 1 1    2    6   25 o  737.481   26.704  6919.97  491.795  6726.76  602.602  7305.33  851.028  723.338   33.361  742.955   46.098 -19.61768 56.90305 
1 1 1    2    6   26 o  534.239   24.767  3633.07  330.411  3503.95  468.710  3760.62  465.846  517.789   36.483  537.505   34.895 -19.71606 50.48418 
1 1 1    2    6   27 o  160.404   11.360  324.403   45.210  266.605   57.243  420.224   73.706  144.552   16.133  181.824   16.410 -37.27190 23.01220 
1 1 1    2    6   28 o  266.042   13.252  890.368   88.039  773.480  109.024  1109.45  149.259  246.608   17.824  294.808   20.400 -48.20024 27.08953 
1 1 1    2    6   29 f  205.512   10.910  531.767   55.790  542.767   70.705  513.619   90.815  207.132   13.748  200.439   18.347 6.692688 22.92626 
1 1 1    2    6   30 o  456.154   17.836  2639.45  203.173  2581.74  249.929  2751.89  348.871  449.169   22.282  457.902   30.687 -8.733246 37.92381 
1 1 1    2    6   31 o  129.000   19.482  216.359   60.804  216.359   60.804   0.0000   0.0000  129.000   19.482  ?   ?  0.000000 19.48227 
1 1 1    2    6   32 o  184.939   10.740  431.161   49.387  458.659   64.744  392.895   76.377  190.206   13.723  175.047   17.716 15.15929 22.40973 
1 1 1    2    6   33 o  214.332   18.833  589.271   99.776   0.0000   0.0000  589.271   99.776  ?   ?   214.332   18.833 0.000000 18.83292 
1 1 1    2    6   34 o   52.682   20.463   22.966   38.575   22.966   38.575   0.0000   0.0000   52.682   20.463  ?   ?  0.000000 20.46255 
1 1 1    2    6   35 o  486.348   22.787  3049.23  276.746  3153.59  397.266  2950.84  385.745  485.445   32.966  469.376   33.123 16.06906 46.73215 
1 1 1    2    6   36 o  204.710   13.471  531.852   68.478  426.415   89.307  682.297  106.678  181.339   20.058  230.349   18.707 -49.01031 27.42736 
1 1 1    2    6   37 o  251.871   14.663  807.640   91.824  647.666  117.030  1063.86  148.107  223.038   21.270  286.516   20.843 -63.47711 29.77992 
1 1 1    2    6   38 o  398.917   16.352  2034.53  162.891  2045.74  203.498  2014.52  271.763  396.826   20.607  387.211   28.302 9.614990 35.00868 
1 1 1    2    6   39 o  169.102   12.598  365.064   52.816  355.726   76.694  373.487   72.841  164.647   19.002  169.372   17.473 -4.724487 25.81456 
1 1 1    2    6   40 o   83.151   28.412   91.991   70.870   91.991   70.870   0.0000   0.0000   83.151   28.412  ?   ?  0.000000 28.41163 
1 1 1    2    6   41 o  207.271   12.993  552.688   66.912  538.033   91.732  569.352   97.817  201.541   18.431  206.901   19.149 -5.360565 26.57793 
1 1 1    2    6   42 o  180.357   13.054  421.015   58.397  409.273   84.272  431.862   80.998  173.964   19.749  179.693   18.306 -5.728775 26.92823 
1 1 1    2    6   43 o  168.039   14.031  369.519   58.339  299.322   85.932  429.533   79.455  144.446   24.711  178.667   18.056 -34.22099 30.60521 
1 1 1    2    6   44 o   44.761   15.999   23.561   22.628   82.669  100.333   20.394   23.227   80.548   32.449   43.349   16.098 37.19879 36.22260 
1 1 1    2    6   45 o  111.757   15.189  168.013   41.292  137.653   79.877  179.084   48.237   92.682   30.130  114.178   17.474 -21.49603 34.83049 
1 1 1    2    6   46 o   79.787   17.366   89.610   33.617   42.042   83.472   98.819   36.727   66.988   28.500   83.496   18.134 -16.50741 33.77993 
1 1 1    2    7    0 o  386.781   18.568  1881.70  179.339  1821.00  253.456  1942.56  253.790  378.027   27.027  390.741   26.161 -12.71466 37.61469 
1 1 1    2    7    1 o  833.470   36.710  8907.62  764.062  8712.36  1080.18  9103.15  1080.91  810.821   53.652  829.949   52.423 -19.12732 75.01144 
1 1 1    2    7    2 o  578.367   37.607  4305.75  540.210  4305.75  540.210   0.0000   0.0000  578.367   37.607  ?   ?  0.000000 37.60749 
1 1 1    2    7    3 o  523.819   23.819  3462.24  311.572  3418.31  440.513  3506.22  440.746  516.512   34.349  523.307   33.910 -6.794495 48.26707 
1 1 1    2    7    4 o  725.581   32.039  6699.89  580.519  6550.31  820.695  6849.67  821.260  708.658   46.637  725.426   45.567 -16.76801 65.20210 
1 1 1    2    7    5 o  181.268   11.996  413.195   53.996  433.560   76.321  392.785   76.403  185.105   16.691  175.972   17.624 9.132751 24.27267 
1 1 1    2    7    6 o  461.914   21.313  2688.71  245.845  2855.64  347.862  2522.13  347.493  473.157   29.590  443.910   31.553 29.24725 43.25646 
1 1 1    2    7    7 o  223.108   18.763  630.690  103.564   0.0000   0.0000  630.690  103.564  ?   ?   223.108   18.763 0.000000 18.76269 
1 1 1    2    7   13 o  303.694   12.474  1155.97   94.601  1012.81  115.782  1443.49  164.079  283.405   16.431  337.889   19.529 -54.48407 25.52163 
1 1 1    2    7   14 o  275.791   11.775  952.305   81.091  804.485   99.257  1249.01  140.621  252.718   15.807  314.767   17.965 -62.04895 23.92904 
1 1 1    2    7   15 o  253.007   11.506  800.984   72.694  777.780   89.146  847.034  125.586  248.749   14.413  258.926   19.567 -10.17679 24.30260 
1 1 1    2    7   16 o  944.931   33.288 11326.64  785.477 10942.22  961.698 12096.96  1361.37  924.658   41.649  960.607   57.007 -35.94910 70.60047 
1 1 1    2    7   17 o  479.182   21.986  2885.36  263.088  2937.56  372.509  2833.41  371.619  480.981   31.182  472.210   31.698 8.771820 44.46474 
1 1 1    2    7   18 o  716.387   25.624  6461.75  458.399  6493.65  561.625  6398.09  793.395  716.662   31.382  705.302   45.286 11.35968 55.09690 
1 1 1    2    7   19 o  521.350   18.648  3408.83  242.776  2969.88  297.066  4291.57  421.273  485.225   24.597  583.160   28.928 -97.93466 37.97192 
1 1 1    2    7   20 o  587.293   21.367  4332.54  313.365  4037.49  383.725  4923.26  542.956  565.900   27.154  621.951   35.102 -56.05115 44.37900 
1 1 1    2    7   21 o  692.953   24.623  6046.89  426.076  6203.78  522.311  5734.81  736.645  700.487   29.859  667.104   44.474 33.38312 53.56817 
1 1 1    2    7   22 o  124.293   16.771  197.209   50.725  197.209   50.725   0.0000   0.0000  124.293   16.771  ?   ?  0.000000 16.77092 
1 1 1    2    7   23 o  299.129   13.209  1120.77   98.667  1064.37  121.488  1230.07  169.110  290.741   16.805  311.771   21.859 -21.02957 27.57234 
1 1 1    2    7   24 o  598.552   21.798  4519.10  325.820  4467.41  399.478  4621.80  563.122  593.530   26.953  598.129   37.897 -4.598816 46.50412 
1 1 1    2    7   25 o  911.882   32.684 10666.30  744.258 10563.67  911.859 10871.11  1288.16  901.064   40.525  893.974   58.016 7.090454 70.76793 
1 1 1    2    7   26 o  405.871   16.189  2073.21  164.079  2009.09  201.654  2198.83  282.249  398.134   20.351  414.083   27.451 -15.94937 34.17206 
1 1 1    2    7   27 o  191.544   13.226  463.123   62.877  444.935   93.829  477.947   84.711  186.298   20.508  193.784   17.701 -7.485825 27.09082 
1 1 1    2    7   28 o  239.864   11.855  722.539   71.009  696.954   88.532  768.684  118.899  234.670   15.189  245.449   19.561 -10.77872 24.76554 
1 1 1    2    7   29 o  274.918   13.226  951.236   90.803  868.073  112.573  1106.10  153.620  261.330   17.349  293.960   21.067 -32.63013 27.29093 
1 1 1    2    7   30 o  297.735   12.919  1115.87   96.049  1131.57  119.409  1087.07  161.665  298.749   16.065  290.704   22.443 8.044891 27.60047 
1 1 1    2    7   31 o  173.758   9.3353  379.743   40.358  476.528   54.045  257.734   60.680  194.420   11.179  141.529   17.545 52.89070 20.80393 
1 1 1    2    7   32 o  169.326   19.631  369.916   81.468  369.916   81.468   0.0000   0.0000  169.326   19.631  ?   ?  0.000000 19.63122 
1 1 1    2    7   33 o  271.187   13.137  926.992   88.966  885.809  111.869  997.857  146.747  263.714   17.079  278.494   21.262 -14.78018 27.27189 
1 1 1    2    7   34 o  270.654   12.978  923.490   87.716  903.500  110.878  956.925  143.400  266.359   16.755  272.569   21.235 -6.209564 27.04954 
1 1 1    2    7   35 o  557.436   21.201  3985.59  295.125  3961.86  363.413  4031.54  505.760  551.779   26.375  544.614   37.415 7.165833 45.77678 
1 1 1    2    7   36 o  131.754   12.678  220.956   41.198  174.402   59.873  262.820   56.777  114.708   21.697  143.008   16.183 -28.30060 27.06750 
1 1 1    2    7   37 o  191.386   14.318  466.566   67.935  493.906  117.525  452.847   83.253  193.232   24.938  187.464   18.006 5.767303 30.75864 
1 1 1    2    7   38 o  411.944   16.450  2166.70  169.221  2214.21  211.182  2081.48  282.856  413.963   20.429  393.896   28.959 20.06683 35.43983 
1 1 1    2    7   39 o  162.244   13.438  336.779   53.954  257.717   76.182  416.347   76.425  138.559   22.811  179.182   17.295 -40.62292 28.62643 
1 1 1    2    7   40 o   80.492   15.005   85.571   29.050   67.624   59.429   91.206   33.300   73.726   25.972   82.712   16.697 -8.986427 30.87656 
1 1 1    2    7   41 o  241.675   25.686  805.770  152.638  805.770  152.638   0.0000   0.0000  241.675   25.686  ?   ?  0.000000 25.68551 
1 1 1    2    7   42 o   94.863   14.145  118.521   32.483  136.143   64.717  112.586   37.557   97.037   26.127   91.379   17.087 5.658417 31.21800 
1 1 1    2    7   43 o  171.270   13.396  381.479   56.838  352.583   83.995  405.887   77.198  159.691   21.619  173.965   18.032 -14.27440 28.15192 
1 1 1    2    7   44 o   78.675   16.008   84.253   30.381   82.454   70.571   84.662   33.660   77.307   28.169   78.285   17.641 -0.9783783 33.23723 
1 1 1    2    7   45 o  154.166   14.929  315.811   56.755  422.270  124.300  287.771   63.793  163.258   31.632  145.183   17.980 18.07506 36.38468 
1 1 1    2    7   46 o   81.145   16.202   90.959   31.681  179.262   80.952   74.989   34.426  105.028   29.597   72.530   18.839 32.49843 35.08347 
1 1 1    2    7   47 o  106.525   15.957  156.178   41.140  156.880   91.621  156.001   46.042   94.176   32.303  105.057   18.210 -10.88145 37.08224 
1 1 1    2    8    0 o  468.398   21.766  2775.18  254.592  2809.34  360.008  2741.00  360.086  467.229   31.032  461.303   31.446 5.925903 44.17956 
1 1 1    2    8    1 o  299.441   15.612  1129.54  116.335  1126.12  164.431  1132.96  164.616  297.630   22.285  298.551   22.240 -0.9207458 31.48388 
1 1 1    2    8    2 o  389.158   18.707  1906.85  181.798  1964.60  257.113  1849.11  257.089  392.551   26.382  380.527   27.235 12.02383 37.91771 
1 1 1    2    8    3 o  406.015   27.826  2104.35  280.419  2104.35  280.419   0.0000   0.0000  406.015   27.826  ?   ?  0.000000 27.82551 
1 1 1    2    8    4 o  640.316   28.623  5215.17  457.680  5225.87  647.206  5204.47  647.310  633.633   41.125  632.268   41.223 1.365112 58.22927 
1 1 1    2    8    5 o  317.230   16.205  1267.49  127.946  1303.72  180.924  1231.23  180.963  320.418   22.759  311.173   23.461 9.244354 32.68644 
1 1 1    2    8    6 o  633.841   22.890  5080.45  362.312  4948.52  627.195  5146.52  443.863  615.826   41.019  635.982   27.948 -20.15601 49.63535 
1 1 1    2    8    7 o  753.782   26.723  7226.36  503.012  8195.91  872.664  6743.94  615.561  789.053   44.470  724.078   34.044 64.97467 56.00465 
1 1 1    2    8    8 o  593.741   39.043  4607.86  575.652   0.0000   0.0000  4607.86  575.652  ?   ?   593.741   39.043 0.000000 39.04280 
1 1 1    2    8   14 o  504.407   18.594  3197.78  234.214  3093.24  286.811  3407.04  405.786  495.189   23.194  516.539   31.611 -21.34973 39.20734 
1 1 1    2    8   15 o  247.649   10.599  767.134   65.548  556.966   80.167  1191.03  113.852  210.253   15.375  308.314   14.788 -98.06157 21.33246 
1 1 1    2    8   16 o  650.462   23.122  5323.13  375.569  5528.94  460.311  4913.29  649.564  661.787   27.854  618.102   42.338 43.68518 50.67910 
1 1 1    2    8   17 o  485.903   17.610  2960.04  213.681  2580.76  261.424  3723.52  370.904  452.443   23.216  542.717   27.457 -90.27420 35.95674 
1 1 1    2    8   18 o  970.108   34.114 11925.63  826.417 11621.09  1011.97 12535.37  1431.91  953.791   42.488  978.986   58.845 -25.19458 72.58053 
1 1 1    2    8   19 o  937.702   40.290 11206.43  943.447 12060.46  1335.93 10356.71  1332.55  962.409   55.827  888.495   60.418 73.91333 82.26143 
1 1 1    2    8   20 o  492.565   18.438  3042.91  226.789  2834.40  277.800  3459.55  392.691  474.738   23.433  522.401   30.231 -47.66217 38.24968 
1 1 1    2    8   21 o  744.204   25.502  6978.32  473.932  7561.05  581.375  5823.97  818.263  773.278   30.107  670.033   49.249 103.2451 57.72297 
1 1 1    2    8   22 o  282.471   12.893  998.820   90.945  899.614  111.885  1192.01  156.133  267.311   16.847  307.315   20.462 -40.00436 26.50533 
1 1 1    2    8   23 o  513.947   19.212  3319.82  246.571  3045.06  302.115  3867.94  426.712  490.560   24.742  550.993   31.140 -60.43298 39.77258 
1 1 1    2    8   24 o  608.330   39.668  4791.66  599.310  4791.66  599.310   0.0000   0.0000  608.330   39.668  ?   ?  0.000000 39.66848 
1 1 1    2    8   25 o  389.701   14.441  1906.03  140.531  2059.03  173.111  1610.34  240.661  404.615   17.133  354.841   27.371 49.77377 32.29099 
1 1 1    2    8   26 o  287.699   12.867  1038.50   92.439  1002.23  114.200  1107.43  157.423  281.758   16.300  295.060   21.514 -13.30212 26.99139 
1 1 1    2    8   27 o  411.221   15.870  2129.88  162.971  2165.53  200.501  2060.46  279.770  413.761   19.405  399.831   28.201 13.92993 34.23249 
1 1 1    2    8   28 o  289.547   12.071  1052.90   87.280  1114.24  108.384  939.731  147.214  297.465   14.591  270.903   21.950 26.56195 26.35704 
1 1 1    2    8   29 o  178.298   13.630  402.499   60.228  341.434   90.898  450.289   80.413  161.929   23.137  187.883   17.335 -25.95345 28.91015 
1 1 1    2    8   30 o  247.278   11.778  768.547   72.727  773.012   91.056  760.679  120.864  247.090   14.826  243.717   20.037 3.373215 24.92521 
1 1 1    2    8   31 o   75.990   12.949   74.693   23.691   42.625   35.835   99.589   31.575   59.788   20.204   87.628   14.967 -27.84089 25.14387 
1 1 1    2    8   32 o  138.238   16.195  245.048   54.846   0.0000   0.0000  245.048   54.846  ?   ?   138.238   16.195 0.000000 16.19471 
1 1 1    2    8   33 o  295.082   23.661  1126.64  172.886  1126.64  172.886   0.0000   0.0000  295.082   23.661  ?   ?  0.000000 23.66100 
1 1 1    2    8   34 o  445.315   17.819  2520.23  198.156  2456.19  244.644  2642.39  337.883  436.821   22.504  447.671   30.405 -10.84952 37.82684 
1 1 1    2    8   35 o  116.266   13.257  172.669   37.802  100.292   54.571  239.439   52.415   86.828   24.241  136.645   15.642 -49.81718 28.85004 
1 1 1    2    8   36 o  370.931   15.186  1742.81  140.667  1773.12  175.740  1688.76  234.667  372.209   18.970  359.186   26.346 13.02277 32.46555 
1 1 1    2    8   37 o  217.535   12.935  599.698   69.948  548.848   91.797  670.099  108.013  206.646   17.968  228.061   19.143 -21.41470 26.25459 
1 1 1    2    8   38 o  124.194   15.364  198.962   46.633   88.838   95.748  233.208   53.393   88.226   32.701  134.363   16.243 -46.13694 36.51272 
1 1 1    2    8   39 o  240.774   12.410  736.165   74.362  782.869   98.988  675.667  112.662  246.907   16.144  227.598   20.026 19.30916 25.72302 
1 1 1    2    8   40 o  184.214   11.786  432.030   53.935  515.939   79.555  360.658   73.372  199.787   16.082  166.087   17.978 33.70042 24.12112 
1 1 1    2    8   41 o   87.298   14.181  100.047   29.854  131.585   62.503   90.726   33.980   96.688   25.515   82.220   17.107 14.46865 30.71915 
1 1 1    2    8   42 o   88.586   31.070  109.573   84.986  109.573   84.986   0.0000   0.0000   88.586   31.070  ?   ?  0.000000 31.06985 
1 1 1    2    8   43 o  148.704   13.577  287.853   49.861  265.978   79.008  302.332   64.278  137.303   23.912  150.505   17.425 -13.20213 29.58715 
1 1 1    2    8   44 o   52.363   16.403   36.243   23.850 -37.8749   66.252   47.278   25.564   49.274   22.800   58.938   16.640 -9.663803 28.22603 
1 1 1    2    8   45 o   77.924   16.118   83.026   30.330   98.551   74.983   79.989   33.164   81.991   29.143   75.851   17.812 6.139679 34.15509 
1 1 1    2    8   46 o  138.231   13.982  253.337   47.602  306.753   88.485  231.583   56.469  143.295   25.671  129.771   17.902 13.52472 31.29647 
1 1 1    2    8   47 o   92.530   17.163  119.491   38.198  128.452  119.133  118.464   40.327   87.401   35.306   91.499   18.289 -4.098259 39.76165 
1 1 1    2    9    0 o  134.426   11.054  228.039   36.777  250.328   51.915  205.586   52.105  140.287   15.055  126.641   16.898 13.64641 22.63139 
1 1 1    2    9    1 f  233.566   13.509  687.305   78.458  690.771  110.851  683.827  111.062  233.096   19.215  231.884   19.357 1.212051 27.27465 
1 1 1    2    9    2 o  365.030   17.866  1679.75  162.855  1699.78  230.249  1659.70  230.374  364.581   25.450  360.123   25.788 4.457245 36.23140 
1 1 1    2    9    3 o  253.478   14.116  809.347   88.998  852.974  125.841  765.690  125.883  259.215   19.585  245.263   20.748 13.95207 28.53181 
1 1 1    2    9    4 o  450.830   30.454  2615.52  340.845  2615.52  340.845   0.0000   0.0000  450.830   30.454  ?   ?  0.000000 30.45424 
1 1 1    2    9    5 o  1015.49   36.433 13363.83  923.901 13162.68  1599.77 13464.49  1131.71  965.670   66.750  1009.81   44.879 -44.13641 80.43457 
1 1 1    2    9    6 o  366.918   14.004  1690.61  128.314  1483.73  221.733  1794.77  157.335  340.343   26.293  377.601   16.686 -37.25806 31.14065 
1 1 1    2    9    7 o  343.150   16.785  1482.73  143.831   0.0000   0.0000  1482.73  143.831  ?   ?   343.150   16.785 0.000000 16.78490 
1 1 1    2    9    8 f  474.079   21.587  2846.73  255.556  2576.17  360.935  3118.72  361.888  445.855   32.645  492.339   29.572 -46.48380 44.04742 
1 1 1    2    9    9 o  283.392   14.940  1012.54  105.357   0.0000   0.0000  1012.54  105.357  ?   ?   283.392   14.940 0.000000 14.94042 
1 1 1    2    9   14 o  242.322   19.543  742.880  117.254   0.0000   0.0000  742.880  117.254  ?   ?   242.322   19.543 0.000000 19.54311 
1 1 1    2    9   15 o  730.737   32.178  6774.70  587.172  6651.44  830.244  6898.04  830.528  716.461   46.659  730.163   45.781 -13.70135 65.36819 
1 1 1    2    9   16 o  513.426   22.830  3315.51  292.711  2844.49  413.464  3788.78  414.451  471.918   35.342  546.476   30.492 -74.55792 46.67746 
1 1 1    2    9   17 o  626.189   27.516  4944.74  430.277  4437.37  608.008  5453.77  609.001  588.079   41.672  653.874   37.453 -65.79486 56.02918 
1 1 1    2    9   18 o  716.582   31.537  6493.04  564.335  6303.40  798.146  6682.62  798.034  699.750   45.931  721.214   44.528 -21.46350 63.97214 
1 1 1    2    9   19 o  850.924   36.672  9196.62  779.252  8295.13  1101.02 10101.43  1103.05  797.703   55.620  884.015   50.174 -86.31177 74.90623 
1 1 1    2    9   20 o  719.940   45.795  6675.46  819.040   0.0000   0.0000  6675.46  819.040  ?   ?   719.940   45.795 0.000000 45.79533 
1 1 1    2    9   21 o  521.118   19.383  3408.63  252.236  3317.57  309.124  3590.04  436.322  513.372   24.113  531.172   33.058 -17.79950 40.91798 
1 1 1    2    9   22 o  729.687   26.048  6717.88  474.645  6553.74  581.456  7045.71  821.724  718.677   32.399  738.594   44.764 -19.91699 55.25828 
1 1 1    2    9   23 o  320.295   12.684  1284.58  101.451  1367.61  125.050  1124.69  173.524  330.283   15.162  297.767   23.528 32.51651 27.99013 
1 1 1    2    9   24 o  333.790   14.509  1397.22  120.938  1164.54  148.492  1855.61  208.422  303.552   19.696  382.997   21.883 -79.44452 29.44112 
1 1 1    2    9   25 o  469.912   31.663  2836.49  369.389  2836.49  369.389   0.0000   0.0000  469.912   31.663  ?   ?  0.000000 31.66327 
1 1 1    2    9   26 o  234.288   12.362  690.278   72.068  608.366   89.302  843.245  122.036  219.282   16.428  257.840   19.089 -38.55746 25.18455 
1 1 1    2    9   27 o  176.688   10.960  392.869   48.120  360.877   60.681  447.076   78.987  168.791   14.538  187.551   17.051 -18.76009 22.40770 
1 1 1    2    9   28 o  317.884   13.109  1270.20  104.060  1307.40  128.708  1199.98  176.820  321.978   16.008  305.937   23.320 16.04095 28.28564 
1 1 1    2    9   29 o  363.793   15.142  1669.04  137.557  1604.12  169.496  1794.31  235.438  355.089   19.186  373.051   25.425 -17.96255 31.85148 
1 1 1    2    9   30 o  184.395   12.754  429.790   58.369  455.630   89.496  410.662   77.000  188.449   19.290  179.269   17.420 9.180466 25.99142 
1 1 1    2    9   31 o   90.664   11.742  105.027   25.960   85.407   37.681  122.753   35.816   80.407   19.057   97.474   15.211 -17.06644 24.38364 
1 1 1    2    9   32 o   96.053   11.625  117.662   27.316  117.322   41.845  117.914   36.058   94.562   18.383   95.369   15.686 -0.8074036 24.16547 
1 1 1    2    9   33 o  293.539   14.342  1087.68  105.132  959.841  130.848  1320.51  176.588  273.927   19.251  320.303   22.215 -46.37598 29.39536 
1 1 1    2    9   34 o  182.273   13.014  420.771   58.848  315.861   76.097  576.846   92.817  156.158   19.972  212.424   17.657 -56.26692 26.65827 
1 1 1    2    9   35 o  248.976   22.447  802.350  138.059  802.350  138.059   0.0000   0.0000  248.976   22.447  ?   ?  0.000000 22.44660 
1 1 1    2    9   36 o   67.273   15.605   59.598   25.706 -14.9565   46.772   91.865   30.770   45.976   20.408   83.932   15.242 -37.95671 25.47191 
1 1 1    2    9   37 o  136.347   12.203  236.228   41.111  229.252   61.716  241.793   55.120  132.621   19.193  137.008   16.439 -4.386292 25.27096 
1 1 1    2    9   38 o  124.158   11.970  196.285   36.652  235.093   60.062  173.258   46.265  134.375   18.381  115.530   16.506 18.84560 24.70423 
1 1 1    2    9   39 o  255.506   12.608  826.620   80.447  882.671  106.985  753.691  122.034  262.288   16.417  240.462   20.519 21.82518 26.27823 
1 1 1    2    9   40 o  203.851   13.269  530.687   67.179  477.426   91.377  593.334   99.103  190.871   19.443  213.280   18.800 -22.40875 27.04517 
1 1 1    2    9   41 o  102.316   13.955  136.234   34.726  127.583   65.529  139.613   40.949   95.277   26.551  102.810   16.509 -7.532715 31.26476 
1 1 1    2    9   42 o  105.819   13.967  146.246   36.007  129.298   65.270  153.659   43.170   95.113   26.496  107.584   16.603 -12.47100 31.26831 
1 1 1    2    9   43 o  177.748   12.405  407.209   54.715  478.709   83.598  353.629   72.368  189.741   17.854  162.728   18.116 27.01262 25.43515 
1 1 1    2    9   44 o   77.673   31.741   64.336   97.604   64.336   97.604   0.0000   0.0000   77.673   31.741  ?   ?  0.000000 31.74103 
1 1 1    2    9   45 o   52.687   16.097   37.106   23.130  104.201   72.555   29.516   24.403   84.013   28.747   48.612   16.671 35.40111 33.23148 
1 1 1    2    9   46 o  121.457   14.828  196.904   44.041  173.846   84.733  205.439   51.551  103.960   30.591  122.727   17.301 -18.76688 35.14419 
1 1 1    2    9   47 o  196.529   14.607  514.799   71.174  512.562  110.874  516.366   92.824  186.135   24.445  192.092   19.626 -5.957794 31.34858 
1 1 1    2   10    0 o  517.279   23.763  3402.14  306.953  3445.85  434.056  3358.41  434.138  514.805   33.955  507.922   34.431 6.882996 48.35721 
1 1 1    2   10    1 o  216.578   18.646  596.646   99.859   0.0000   0.0000  596.646   99.859  ?   ?   216.578   18.646 0.000000 18.64570 
1 1 1    2   10    2 o  144.441   11.234  263.152   40.203  281.927   56.748  244.233   56.964  148.887   15.490  138.213   16.853 10.67307 22.89059 
1 1 1    2   10    3 o  283.664   12.314  1009.71   87.229  1012.15  150.680  1008.49  106.977  281.772   21.579  282.723   15.208 -0.9518738 26.39924 
1 1 1    2   10    4 o  532.322   19.606  3582.50  260.630  3317.35  450.779  3715.64  319.434  503.732   36.074  540.596   23.662 -36.86432 43.14238 
1 1 1    2   10    5 o  643.894   23.357  5268.20  375.561  5186.72  650.154  5309.00  460.086  625.841   41.842  643.580   28.628 -17.73920 50.69799 
1 1 1    2   10    6 o  213.904   18.556  581.834   98.134   0.0000   0.0000  581.834   98.134  ?   ?   213.904   18.556 0.000000 18.55556 
1 1 1    2   10    7 o  420.441   28.805  2275.82  300.606  2275.82  300.606   0.0000   0.0000  420.441   28.805  ?   ?  0.000000 28.80501 
1 1 1    2   10    8 o  345.412   13.933  1498.90  120.180  1494.64  208.025  1501.03  147.237  341.896   24.528  345.124   17.084 -3.227844 29.89156 
1 1 1    2   10    9 o  703.985   25.480  6311.97  447.936  6400.36  775.949  6267.79  548.571  693.375   45.058  697.920   31.476 -4.545105 54.96354 
1 1 1    2   10   10 o  256.538   11.395  824.834   73.000  709.598  126.352  882.572   89.438  235.824   21.699  264.815   13.570 -28.99037 25.59318 
1 1 1    2   10   11 o  423.035   28.816  2293.33  302.598   0.0000   0.0000  2293.33  302.598  ?   ?   423.035   28.816 0.000000 28.81598 
1 1 1    2   10   12 o  323.276   23.465  1328.03  188.137   0.0000   0.0000  1328.03  188.137  ?   ?   323.276   23.465 0.000000 23.46493 
1 1 1    2   10   15 o  842.435   53.746  9277.07  1124.77   0.0000   0.0000  9277.07  1124.77  ?   ?   842.435   53.746 0.000000 53.74604 
1 1 1    2   10   16 o  425.326   18.104  2268.95  192.285  1688.22  271.000  2857.74  272.874  364.248   30.062  476.684   22.923 -112.4358 37.80499 
1 1 1    2   10   17 o  389.062   15.032  1895.60  146.042  1577.33  252.697  2055.22  178.956  352.337   28.977  404.880   17.700 -52.54260 33.95532 
1 1 1    2   10   18 o  708.126   25.209  6312.05  445.770  5941.47  771.820  6497.54  546.052  679.333   45.764  717.112   30.493 -37.77917 54.99189 
1 1 1    2   10   19 o  708.471   31.136  6345.59  550.855  6469.34  779.592  6222.19  778.462  709.634   44.213  695.518   45.063 14.11578 63.13023 
1 1 1    2   10   20 o  259.440   14.438  845.349   93.172  828.454  132.547  861.851  130.996  256.002   20.916  261.243   20.238 -5.240997 29.10445 
1 1 1    2   10   21 o  343.284   24.380  1491.07  207.640   0.0000   0.0000  1491.07  207.640  ?   ?   343.284   24.380 0.000000 24.38034 
1 1 1    2   10   22 o  169.711   9.7987  361.355   41.350  514.992   61.297  233.051   56.016  202.492   12.179  135.273   16.955 67.21962 20.87562 
1 1 1    2   10   23 o  394.759   18.317  1957.40  180.568  2127.50  256.664  1790.70  254.078  409.720   25.208  375.263   27.300 34.45663 37.15848 
1 1 1    2   10   24 o  280.300   12.422  984.148   86.952  970.793  107.288  1009.71  148.432  277.714   15.533  282.278   21.212 -4.564178 26.29117 
1 1 1    2   10   25 o  337.836   14.681  1432.55  123.854  1167.86  152.087  1953.73  213.413  303.682   20.170  392.702   21.849 -89.02054 29.73530 
1 1 1    2   10   26 o  135.337   17.722  234.573   58.456  234.573   58.456   0.0000   0.0000  135.337   17.722  ?   ?  0.000000 17.72238 
1 1 1    2   10   27 o  210.555   11.733  557.808   61.445  500.229   76.592  661.785  102.924  198.759   15.555  228.253   18.209 -29.49380 23.94851 
1 1 1    2   10   28 o  255.678   11.769  820.588   75.142  829.341   93.509  804.633  126.245  256.251   14.674  251.081   20.309 5.169846 25.05546 
1 1 1    2   10   29 o  137.538   10.538  238.698   35.917  223.000   46.957  260.831   55.758  132.281   14.450  142.904   15.894 -10.62218 21.48085 
1 1 1    2   10   30 o  174.719   11.013  384.802   47.805  360.375   61.134  423.246   76.695  168.424   14.682  182.115   17.063 -13.69040 22.51056 
1 1 1    2   10   31 o   56.943   14.893   42.424   21.418 -12.6440   55.889   51.903   23.188   51.392   22.581   62.885   14.980 -11.49309 27.09850 
1 1 1    2   10   32 f  205.721   14.600  536.779   74.515  536.779   74.515   0.0000   0.0000  205.721   14.600  ?   ?  0.000000 14.59978 
1 1 1    2   10   33 o  241.871   12.223  738.050   73.590  721.839   93.162  764.948  120.005  238.386   15.738  244.231   19.848 -5.844818 25.33069 
1 1 1    2   10   34 o  237.530   12.183  711.975   72.022  700.824   91.832  729.796  116.087  234.827   15.751  238.504   19.667 -3.677490 25.19680 
1 1 1    2   10   35 o  213.141   13.377  575.170   70.836  465.457   90.739  746.358  113.345  190.137   19.382  241.341   18.960 -51.20361 27.11306 
1 1 1    2   10   36 o   73.472   25.892   62.799   59.066   62.799   59.066   0.0000   0.0000   73.472   25.892  ?   ?  0.000000 25.89182 
1 1 1    2   10   37 o   74.337   15.126   72.472   27.124   14.141   51.135   95.310   31.996   55.489   22.859   85.429   15.572 -29.94052 27.65906 
1 1 1    2   10   38 o  160.955   11.576  328.234   46.217  377.493   68.762  287.647   62.418  171.525   16.247  149.315   17.045 22.21008 23.54826 
1 1 1    2   10   39 o  118.911   13.378  181.363   39.036  138.887   63.014  207.813   49.726  100.908   25.108  126.691   16.080 -25.78300 29.81582 
1 1 1    2   10   40 o  157.653   13.146  317.821   51.284  267.704   75.034  361.755   70.254  141.607   21.928  166.972   17.090 -25.36566 27.80111 
1 1 1    2   10   41 o  110.337   15.108  158.846   40.535  124.753  100.003  165.549   44.340   95.909   33.700  112.303   16.286 -16.39401 37.42856 
1 1 1    2   10   42 o  270.032   13.393  934.250   90.308  974.297  119.878  881.700  137.322  272.686   17.700  256.391   21.650 16.29480 27.96508 
1 1 1    2   10   43 o  163.770   14.409  349.170   58.328  242.133   85.347  442.977   79.898  129.424   27.268  182.773   17.728 -53.34842 32.52410 
1 1 1    2   10   44 o  127.962   13.813  214.219   43.437  202.284   75.813  220.052   52.999  117.670   26.445  128.280   16.960 -10.60986 31.41609 
1 1 1    2   10   45 o  114.925   35.991  220.184  114.825  220.184  114.825   0.0000   0.0000  114.925   35.991  ?   ?  0.000000 35.99055 
1 1 1    2   10   46 f   65.094   16.695   58.559   27.268   89.380   77.380   54.189   29.137   79.314   29.397   62.557   17.801 16.75683 34.36700 
1 1 1    2   10   47 f  225.704   14.379  674.976   80.620  702.012  118.921  651.983  109.667  222.309   21.698  215.421   20.639 6.887405 29.94620 
1 1 1    2   10   48 o   52.860   17.394   37.793   26.590 -71.4874   88.469   48.645   27.879   51.369   24.543   58.844   17.605 -7.474407 30.20415 
1 1 1    2   11    0 f  413.117   19.655  2153.32  202.767  2195.59  286.694  2111.01  286.816  414.102   27.887  405.795   28.484 8.307251 39.86266 
1 1 1    2   11    1 o  422.230   16.224  2243.13  171.061  2193.85  295.697  2267.91  209.714  413.240   28.835  423.759   19.818 -10.51978 34.98897 
1 1 1    2   11    2 o  408.814   28.172  2147.23  285.843   0.0000   0.0000  2147.23  285.843  ?   ?   408.814   28.172 0.000000 28.17152 
1 1 1    2   11    3 o  334.761   13.698  1407.54  114.510  1385.11  197.911  1418.83  140.397  329.176   24.247  335.610   16.752 -6.434052 29.47131 
1 1 1    2   11    4 o  288.869   11.537  1046.31   83.225  847.190  143.395  1147.45  102.200  257.475   22.529  302.269   13.540 -44.79410 26.28457 
1 1 1    2   11    5 o  243.249   11.081  741.679   67.312  735.155  116.238  744.971   82.564  240.430   19.529  243.167   13.652 -2.736786 23.82764 
1 1 1    2   11    6 o  271.198   11.655  922.246   78.934  843.858  136.276  961.824   96.832  257.273   21.406  276.335   14.079 -19.06216 25.62104 
1 1 1    2   11    7 o  123.612   10.821  192.924   33.067  194.460   46.255  191.320   47.289  123.422   15.338  122.315   15.855 1.107307 22.06033 
1 1 1    2   11    8 o  271.212   11.925  922.310   80.764  940.400  139.733  913.234   98.971  271.942   20.733  269.173   14.781 2.769592 25.46193 
1 1 1    2   11    9 o  236.864   11.012  702.900   65.138  723.061  112.793  692.811   79.787  238.689   19.083  234.549   13.682 4.140350 23.48076 
1 1 1    2   11   10 o  540.164   19.867  3680.24  267.988  3420.24  463.826  3810.53  328.339  513.510   36.407  548.381   23.977 -34.87146 43.59266 
1 1 1    2   11   11 f  201.399   10.189  508.953   51.079  449.827   88.514  538.473   62.544  188.071   19.112  206.963   12.155 -18.89157 22.65006 
1 1 1    2   11   12 o  163.808   10.751  337.254   43.733   0.0000   0.0000  337.254   43.733  ?   ?   163.808   10.751 0.000000 10.75083 
1 1 1    2   11   14 o  430.179   28.992  2351.34  309.623   0.0000   0.0000  2351.34  309.623  ?   ?   430.179   28.992 0.000000 28.99173 
1 1 1    2   11   16 o  1065.03   68.453 15113.62  1810.92   0.0000   0.0000 15113.62  1810.92  ?   ?   1065.03   68.453 0.000000 68.45293 
1 1 1    2   11   17 o  368.024   25.652  1713.77  234.271  1713.77  234.271   0.0000   0.0000  368.024   25.652  ?   ?  0.000000 25.65169 
1 1 1    2   11   18 o  416.501   16.038  2173.18  166.809  2049.42  288.958  2235.04  204.286  401.951   28.982  422.065   19.382 -20.11310 34.86624 
1 1 1    2   11   19 o  414.281   16.016  2150.14  165.691  2059.08  287.215  2195.55  202.848  402.933   28.733  418.304   19.419 -15.37143 34.67963 
1 1 1    2   11   20 o  122.964   7.7915  189.702   23.801  327.222   43.400  130.552   28.463  161.396   10.831  101.526   11.425 59.87002 15.74332 
1 1 1    2   11   21 o  451.485   16.986  2555.74  191.503  2736.40  332.673  2466.20  234.198  464.500   28.822  442.997   21.171 21.50290 35.76206 
1 1 1    2   11   22 o  424.643   20.120  2265.99  213.357  2224.80  302.488  2306.78  300.982  418.328   29.138  426.177   28.445 -7.849030 40.72012 
1 1 1    2   11   23 o  265.167   20.635  889.946  135.563   0.0000   0.0000  889.946  135.563  ?   ?   265.167   20.635 0.000000 20.63510 
1 1 1    2   11   24 o  304.409   15.340  1165.66  116.236  1254.05  166.049  1080.72  162.766  314.725   21.252  291.807   22.511 22.91837 30.95780 
1 1 1    2   11   25 o  194.139   13.853  475.182   66.718  372.297   96.317  570.084   92.505  170.030   23.297  212.155   17.620 -42.12482 29.20997 
1 1 1    2   11   26 o  442.126   16.969  2460.87  187.347  2457.50  230.102  2467.51  322.677  440.889   20.900  438.117   29.669 2.772278 36.29075 
1 1 1    2   11   27 o  234.015   11.989  688.844   69.825  642.722   86.728  773.821  117.722  225.455   15.499  246.695   19.262 -21.23962 24.72320 
1 1 1    2   11   28 f  303.036   23.215  1176.77  174.338  1176.77  174.338   0.0000   0.0000  303.036   23.215  ?   ?  0.000000 23.21459 
1 1 1    2   11   29 o  336.007   13.425  1420.59  112.643  1481.42  139.324  1305.77  191.409  342.505   16.289  318.537   24.245 23.96823 29.20912 
1 1 1    2   11   30 o  109.179   10.528  150.962   28.348  145.726   38.949  156.860   41.338  106.454   15.073  110.449   15.407 -3.995781 21.55392 
1 1 1    2   11   31 o  206.550   9.9569  535.264   51.357  618.642   66.804  414.773   80.306  221.474   12.125  179.960   18.116 41.51331 21.79930 
1 1 1    2   11   32 o  252.423   10.064  799.668   63.440  957.287   81.256  553.599  101.527  275.918   11.793  207.614   19.824 68.30472 23.06636 
1 1 1    2   11   33 o  268.555   15.085  914.024  100.755  945.327  149.358  887.884  136.488  270.808   22.284  262.874   20.966 7.933990 30.59661 
1 1 1    2   11   34 o  257.473   13.505  838.093   86.528  748.807  108.884  991.115  142.543  242.107   18.141  277.834   20.694 -35.72635 27.51973 
1 1 1    2   11   35 o  242.834   14.554  747.590   87.846  559.794  110.515  1069.88  144.778  208.009   21.590  288.778   20.204 -80.76826 29.56918 
1 1 1    2   11   36 o  179.949   11.220  408.863   50.168  438.891   68.856  374.886   73.244  185.681   14.977  170.919   17.403 14.76201 22.96079 
1 1 1    2   11   37 o  127.512   19.597  212.367   60.403  212.367   60.403   0.0000   0.0000  127.512   19.597  ?   ?  0.000000 19.59693 
1 1 1    2   11   38 o  230.211   13.537  672.451   77.480  843.966  123.797  562.007   99.342  255.902   19.520  208.633   19.286 47.26891 27.44028 
1 1 1    2   11   39 o  202.817   12.230  521.655   61.652  537.671   84.917  503.801   89.655  204.553   16.772  197.393   18.400 7.160248 24.89693 
1 1 1    2   11   40 o  115.897   12.503  172.130   35.613  212.458   62.907  153.109   43.202  126.428   20.637  108.179   16.516 18.24940 26.43263 
1 1 1    2   11   41 o  137.236   12.789  241.564   43.324  243.626   70.068  240.288   55.125  134.693   21.559  135.656   16.620 -0.9630890 27.22173 
1 1 1    2   11   42 o  105.017   15.492  145.003   39.408  108.144  105.094  151.034   42.510   91.428   34.186  106.891   16.453 -15.46315 37.93937 
1 1 1    2   11   43 o  176.857   13.270  403.890   58.181  383.441   86.028  421.128   78.983  168.286   20.923  178.210   17.995 -9.923660 27.59632 
1 1 1    2   11   44 f   56.781   15.497   43.460   22.588  133.532   67.034   31.922   23.992   95.417   26.948   50.081   16.524 45.33533 31.61058 
1 1 1    2   11   45 o  137.145   14.375  247.269   48.499  196.103   82.885  273.908   59.807  113.621   29.088  142.990   17.088 -29.36931 33.73576 
1 1 1    2   11   46 o   87.497   16.372  104.274   34.456   40.658   78.759  119.331   38.318   67.770   28.183   93.444   17.049 -25.67477 32.93842 
1 1 1    2   11   47 o   83.750   35.671   88.493  131.037   88.493  131.037   0.0000   0.0000   83.750   35.671  ?   ?  0.000000 35.67146 
1 1 1    2   11   48 o  129.556   15.082  226.481   47.881  230.198   96.610  225.271   55.128  116.014   32.206  127.406   17.815 -11.39146 36.80493 
1 1 1    2   12    0 o   73.844   9.3015   69.284   16.772   83.004   27.488   61.147   21.169   80.180   14.251   68.767   12.798 11.41264 19.15395 
1 1 1    2   12    1 o  227.233   10.469  646.332   59.404  616.946  102.027  661.403   73.066  220.632   18.694  229.371   12.808 -8.738541 22.66031 
1 1 1    2   12    2 o  111.039   8.8668  155.225   24.381  161.184   41.195  152.012   30.248  112.320   15.067  109.603   11.209 2.717155 18.77933 
1 1 1    2   12    3 o  429.551   29.223  2365.07  311.602   0.0000   0.0000  2365.07  311.602  ?   ?   429.551   29.223 0.000000 29.22299 
1 1 1    2   12    4 o  186.827   10.212  438.331   47.464  483.781   81.700  415.176   58.314  195.376   16.912  181.486   12.952 13.89000 21.30234 
1 1 1    2   12    5 o  189.438   12.103  451.680   56.957   0.0000   0.0000  451.680   56.957  ?   ?   189.438   12.103 0.000000 12.10327 
1 1 1    2   12    6 o  122.555   15.387  191.646   46.053  191.646   46.053   0.0000   0.0000  122.555   15.387  ?   ?  0.000000 15.38695 
1 1 1    2   12    7 o  284.613   11.850  1015.17   84.221  876.736  145.361  1085.12  103.332  262.337   22.404  294.034   14.073 -31.69681 26.45715 
1 1 1    2   12    8 o  282.418   11.234  999.053   79.226  825.029  136.653  1087.16   97.235  254.653   21.696  294.428   13.225 -39.77538 25.40903 
1 1 1    2   12    9 o  297.223   12.105  1106.84   89.845  1086.74  155.437  1116.93  110.102  292.682   21.416  298.321   14.780 -5.639160 26.02053 
1 1 1    2   12   10 o  199.486   10.128  499.256   50.289  526.712   87.289  485.616   61.526  204.010   17.297  196.474   12.607 7.535263 21.40355 
1 1 1    2   12   11 o  372.480   14.483  1739.45  134.717  1467.88  233.042  1875.75  165.098  339.238   27.752  386.486   17.106 -47.24734 32.60080 
1 1 1    2   12   12 o  249.890   11.305  781.444   70.547  792.713  122.366  775.834   86.340  250.347   19.733  248.454   13.973 1.892746 24.17947 
1 1 1    2   12   13 o  285.775   10.598  1021.54   75.630  967.793  106.956  1075.29  106.958  277.442   15.500  292.958   14.620 -15.51620 21.30713 
1 1 1    2   12   14 o  568.052   25.174  4067.11  357.099  3671.23  504.534  4464.49  505.494  535.248   37.994  591.830   34.351 -56.58203 51.22060 
1 1 1    2   12   15 o  237.772   19.361  714.242  113.962  714.242  113.962   0.0000   0.0000  237.772   19.361  ?   ?  0.000000 19.36135 
1 1 1    2   12   16 o  462.374   30.709  2714.61  352.563   0.0000   0.0000  2714.61  352.563  ?   ?   462.374   30.709 0.000000 30.70929 
1 1 1    2   12   17 o  233.189   13.115  682.624   76.061  594.800  107.415  770.946  107.718  216.776   20.070  247.371   17.552 -30.59526 26.66247 
1 1 1    2   12   18 f  919.684   58.475 11071.73  1335.98 11071.73  1335.98   0.0000   0.0000  919.684   58.475  ?   ?  0.000000 58.47548 
1 1 1    2   12   19 o  264.976   11.617  878.244   76.869  958.746  133.587  838.393   93.989  275.721   19.528  258.348   14.629 17.37274 24.39978 
1 1 1    2   12   20 o  182.065   10.293  415.809   46.606  268.089   81.149  488.520   56.933  144.191   23.334  197.277   11.608 -53.08574 26.06180 
1 1 1    2   12   21 o  397.579   15.566  1980.76  154.545  1855.41  268.071  2043.16  189.140  382.205   28.288  403.463   18.773 -21.25797 33.95016 
1 1 1    2   12   22 o  314.229   13.187  1236.39  103.478  1185.76  180.080  1261.34  126.437  305.854   23.764  316.768   16.036 -10.91324 28.66868 
1 1 1    2   12   23 o  167.929   8.6081  353.519   35.977  466.051   65.252  304.371   43.123  192.382   13.672  155.551   11.176 36.83157 17.65833 
1 1 1    2   12   24 o  432.049   29.238  2384.00  313.594   0.0000   0.0000  2384.00  313.594  ?   ?   432.049   29.238 0.000000 29.23799 
1 1 1    2   12   25 o  176.584   10.105  391.602   44.373  382.155   79.748  395.838   53.404  173.202   18.737  177.314   12.134 -4.112762 22.32247 
1 1 1    2   12   26 o  215.371   12.909  584.028   69.108  617.503  100.371  553.853   95.294  220.558   18.391  208.786   18.468 11.77274 26.06346 
1 1 1    2   12   27 o  343.658   13.546  1483.77  116.247  1554.13  143.413  1348.96  198.499  351.216   16.352  324.478   24.683 26.73816 29.60762 
1 1 1    2   12   28 o  426.917   17.129  2301.50  182.606  2107.73  224.251  2682.82  314.593  406.442   22.178  456.020   27.758 -49.57828 35.52996 
1 1 1    2   12   29 o  125.778   18.619  204.598   56.714  204.598   56.714   0.0000   0.0000  125.778   18.619  ?   ?  0.000000 18.61917 
1 1 1    2   12   30 o  200.946   18.083  515.738   89.766   0.0000   0.0000  515.738   89.766  ?   ?   200.946   18.083 0.000000 18.08256 
1 1 1    2   12   31 o  419.034   20.332  2236.54  212.760  2236.54  212.760   0.0000   0.0000  419.034   20.332  ?   ?  0.000000 20.33249 
1 1 1    2   12   32 o  349.488   13.524  1539.18  118.028  1642.63  146.545  1348.18  199.129  360.298   16.288  322.699   24.903 37.59879 29.75678 
1 1 1    2   12   33 o  278.009   13.393  974.067   92.981  910.183  116.153  1088.04  155.145  267.321   17.496  290.967   21.505 -23.64658 27.72313 
1 1 1    2   12   34 o  398.394   19.496  2022.14  193.962  2041.90  279.083  2003.69  269.761  395.000   28.485  391.720   27.757 3.279724 39.77219 
1 1 1    2   12   35 o  522.742   20.107  3488.64  262.476  3434.06  323.267  3594.24  449.653  515.471   25.113  518.267   34.948 -2.795837 43.03505 
1 1 1    2   12   36 o  227.617   11.915  653.988   67.492  670.510   87.991  630.375  105.191  229.647   15.433  221.543   19.204 8.104431 24.63688 
1 1 1    2   12   37 o  188.627   13.404  451.396   62.726  351.699   83.183  582.816   95.505  164.464   20.714  213.165   18.113 -48.70148 27.51619 
1 1 1    2   12   38 o   65.578   14.060   56.453   22.334   96.073   52.019   47.498   24.729   84.817   23.663   60.115   16.136 24.70238 28.64093 
1 1 1    2   12   39 o  263.018   24.804  912.329  160.987  912.329  160.987   0.0000   0.0000  263.018   24.804  ?   ?  0.000000 24.80360 
1 1 1    2   12   40 o  211.741   12.239  569.454   64.437  598.105   88.408  536.985   94.114  215.533   16.552  203.286   18.751 12.24762 25.01136 
1 1 1    2   12   41 f  152.805   12.990  299.048   49.097  267.080   73.895  324.314   65.694  141.238   21.641  157.840   16.932 -16.60217 27.47742 
1 1 1    2   12   42 o  181.907   13.310  425.026   60.043  388.427   86.935  458.408   83.027  170.450   20.860  186.846   18.018 -16.39615 27.56383 
1 1 1    2   12   43 o  183.789   12.962  434.936   59.108  433.692   86.328  436.034   81.099  180.167   19.499  181.443   18.142 -1.276566 26.63342 
1 1 1    2   12   44 f  185.523   15.160  450.296   69.622  419.046  122.257  465.294   84.697  168.317   30.196  186.632   18.413 -18.31511 35.36758 
1 1 1    2   12   45 o   63.667   15.874   55.179   25.150   79.559   70.633   51.639   26.914   77.086   28.168   61.530   16.967 15.55686 32.88348 
1 1 1    2   12   46 o  143.508   14.446  271.527   51.067  221.953   86.842  297.730   63.137  120.278   29.205  148.670   17.332 -28.39246 33.96075 
1 1 1    2   12   47 o  133.982   14.126  237.727   46.549  268.743   88.596  225.899   54.708  132.833   27.610  128.686   17.477 4.147095 32.67630 
1 1 1    2   12   48 o   87.266   37.227  115.134  143.117  115.134  143.117   0.0000   0.0000   87.266   37.227  ?   ?  0.000000 37.22705 
1 1 1    2   13    0 o  228.530   11.580  655.293   65.872  471.599   91.034  857.176   95.435  192.792   19.163  261.109   14.696 -68.31714 24.14932 
1 1 1    2   13    1 o   85.011   9.2942   91.452   19.409  123.641   32.056   72.822   24.387   98.453   13.386   75.110   13.498 23.34299 19.00999 
1 1 1    2   13    2 o  449.009   16.924  2531.25  189.760  2382.17  327.904  2606.32  232.682  431.866   30.603  455.036   20.477 -23.16977 36.82211 
1 1 1    2   13    3 o  122.904   8.8857  189.885   27.088  184.076   45.809  193.008   33.589  120.127   15.642  123.696   10.989 -3.568161 19.11561 
1 1 1    2   13    4 o  119.959   10.492  181.458   31.113   0.0000   0.0000  181.458   31.113  ?   ?   119.959   10.492 0.000000 10.49169 
1 1 1    2   13    6 o  285.243   12.323  1019.22   87.778  1006.12  151.612  1025.82  107.656  281.626   21.726  285.531   15.153 -3.904755 26.48818 
1 1 1    2   13    7 o  338.277   12.742  1433.69  107.634  1106.43  185.540  1599.69  132.141  294.610   25.470  357.108   14.818 -62.49796 29.46690 
1 1 1    2   13    8 o  246.050   11.340  757.890   69.677  818.676  120.518  727.371   85.395  254.413   19.109  240.441   14.287 13.97215 23.85958 
1 1 1    2   13    9 o  204.250   10.063  521.907   51.328  486.759   88.677  539.615   62.944  195.970   18.334  207.233   12.217 -11.26271 22.03134 
1 1 1    2   13   10 o  519.396   22.885  3400.54  296.822  2935.42  419.004  3869.07  420.539  478.236   35.336  551.140   30.677 -72.90460 46.79421 
1 1 1    2   13   11 o  274.219   11.951  941.172   81.840  833.873  141.737  994.838  100.238  256.390   22.361  281.421   14.311 -25.03058 26.54862 
1 1 1    2   13   12 o   49.542   7.3859   31.347   8.8583   30.062   13.214   32.396   11.938   48.060   11.215   50.025   9.9072 -1.964550 14.96410 
1 1 1    2   13   13 o  266.882   10.239  890.727   68.236  790.634   96.511  990.773   96.489  250.712   15.491  281.294   13.736 -30.58205 20.70406 
1 1 1    2   13   14 o  496.296   15.894  3086.55  196.979  2910.79  278.429  3262.66  278.712  480.982   23.181  509.432   21.909 -28.45050 31.89611 
1 1 1    2   13   15 o  738.453   22.662  6856.85  417.897  6959.41  591.127  6754.38  590.864  741.397   31.929  730.243   32.402 11.15393 45.48966 
1 1 1    2   13   16 o  720.199   31.638  6563.26  569.008  6711.53  804.994  6415.20  804.403  722.199   44.858  705.522   45.907 16.67712 64.18501 
1 1 1    2   13   17 o  454.277   30.247  2619.10  341.163  2619.10  341.163   0.0000   0.0000  454.277   30.247  ?   ?  0.000000 30.24684 
1 1 1    2   13   18 o  383.384   26.424  1860.90  251.430  1860.90  251.430   0.0000   0.0000  383.384   26.424  ?   ?  0.000000 26.42355 
1 1 1    2   13   19 o  795.625   50.575  8210.72  999.622  8210.72  999.622   0.0000   0.0000  795.625   50.575  ?   ?  0.000000 50.57526 
1 1 1    2   13   20 o  348.962   14.053  1524.80  122.457  1513.30  212.350  1530.52  149.891  345.751   24.758  349.372   17.181 -3.620422 30.13547 
1 1 1    2   13   21 o  165.055   9.5749  341.782   39.296  324.329   68.894  350.199   47.841  159.841   17.549  166.905   11.549 -7.063507 21.00826 
1 1 1    2   13   22 o  721.405   25.733  6572.05  463.573  5920.83  802.312  6898.42  567.978  673.893   47.990  737.287   30.849 -63.39349 57.04985 
1 1 1    2   13   23 o  243.104   10.737  739.580   65.184  810.735  114.383  705.357   79.326  253.354   18.201  236.880   13.466 16.47354 22.64053 
1 1 1    2   13   24 o  465.607   17.671  2725.84  205.464  2366.90  356.186  2904.84  251.531  428.792   33.531  479.965   20.986 -51.17331 39.55712 
1 1 1    2   13   25 o  164.932   16.628  345.479   67.550   0.0000   0.0000  345.479   67.550  ?   ?   164.932   16.628 0.000000 16.62787 
1 1 1    2   13   26 o  351.578   14.192  1552.67  124.596  1607.78  217.642  1525.80  151.962  354.792   24.720  347.537   17.567 7.255280 30.32574 
1 1 1    2   13   27 o  237.214   10.598  705.320   62.779  852.800  112.136  637.995   75.765  259.421   17.411  224.932   13.552 34.48872 22.06328 
1 1 1    2   13   28 o  460.866   15.540  2677.11  178.845  2249.78  253.378  3101.40  252.473  418.990   24.321  494.348   20.452 -75.35883 31.77743 
1 1 1    2   13   29 o  145.324   9.2634  265.737   33.442  176.759   50.544  335.015   44.599  116.887   17.885  163.007   11.021 -46.12034 21.00818 
1 1 1    2   13   30 o  306.410   23.709  1209.48  180.004  1209.48  180.004   0.0000   0.0000  306.410   23.709  ?   ?  0.000000 23.70948 
1 1 1    2   13   31 o  220.034   11.535  610.064   63.161  600.006   79.837  626.891  103.262  217.570   14.782  221.398   18.857 -3.827789 23.96049 
1 1 1    2   13   32 o  251.379   11.593  794.372   72.775  820.794   91.377  748.545  120.343  254.659   14.428  241.598   20.130 13.06067 24.76694 
1 1 1    2   13   33 o  183.924   10.842  426.416   49.576  432.786   64.426  417.166   77.628  184.706   14.074  180.562   17.433 4.143112 22.40502 
1 1 1    2   13   34 o  530.380   19.306  3582.34  255.705  3744.91  314.961  3268.00  437.963  539.836   23.364  493.969   35.746 45.86667 42.70450 
1 1 1    2   13   35 o  266.289   13.410  896.385   88.885  826.542  111.832  1016.19  146.466  254.505   17.706  281.138   21.015 -26.63269 27.47963 
1 1 1    2   13   36 o  146.223   14.292  272.603   51.520  206.814   91.570  303.074   62.319  123.182   30.039  153.752   16.488 -30.57034 34.26633 
1 1 1    2   13   37 o  234.330   13.533  695.569   78.856  603.378  101.316  837.233  125.592  216.685   18.914  255.149   19.868 -38.46448 27.43114 
1 1 1    2   13   38 o  110.835   12.255  156.768   33.351  178.425   56.882  145.422   41.170  116.372   20.313  105.864   16.079 10.50831 25.90649 
1 1 1    2   13   39 o  309.501   14.272  1214.82  110.303  1191.82  140.100  1252.33  178.903  304.438   18.516  309.510   23.318 -5.072174 29.77575 
1 1 1    2   13   40 o  185.855   25.016  462.492  113.154  462.492  113.154   0.0000   0.0000  185.855   25.016  ?   ?  0.000000 25.01591 
1 1 1    2   13   41 o  197.218   13.712  497.788   67.109  411.221   91.386  599.107   98.867  176.154   21.200  214.313   18.660 -38.15910 28.24262 
1 1 1    2   13   42 o  209.599   13.821  564.349   71.936  488.488   97.990  653.022  105.942  191.554   20.820  222.705   19.239 -31.15025 28.34804 
1 1 1    2   13   43 f  122.870   13.740  196.139   41.436  167.940   72.076  210.059   50.640  108.192   26.813  126.179   16.464 -17.98762 31.46456 
1 1 1    2   13   44 o  232.587   13.634  699.803   78.840  686.908  108.041  714.491  115.308  226.557   19.280  230.301   20.256 -3.743713 27.96464 
1 1 1    2   13   45 o   62.529   16.255   53.230   25.617   70.010   90.649   51.773   26.705   77.895   31.027   61.651   16.860 16.24352 35.31240 
1 1 1    2   13   46 o   54.182   16.231   39.430   23.687  -8.7938   71.959   45.291   25.085   56.242   25.117   57.724   16.548 -1.482414 30.07760 
1 1 1    2   13   47 o  145.795   14.114  280.629   50.741  290.251   90.494  276.217   61.281  139.047   27.035  142.567   17.586 -3.520172 32.25171 
1 1 1    2   13   48 f   78.008   17.896   85.620   34.120   0.0000   0.0000   85.620   34.120  ?   ?    78.008   17.896 0.000000 17.89552 
1 1 1    2   14    0 o  695.843   23.869  6101.58  414.759  5396.59  716.445  6456.96  508.663  645.638   44.712  714.423   28.512 -68.78552 53.02913 
1 1 1    2   14    1 o  341.520   16.724  1463.05  142.630  1385.71  200.455  1542.34  202.986  330.630   24.452  349.118   23.419 -18.48837 33.85774 
1 1 1    2   14    2 o  296.293   12.588  1099.07   93.142  1161.10  160.599  1067.63  114.335  303.046   21.358  291.381   15.772 11.66507 26.55072 
1 1 1    2   14    3 o  158.720   9.7641  316.252   38.513  357.805   65.762  294.561   47.513  168.182   15.845  152.875   12.557 15.30664 20.21725 
1 1 1    2   14    4 o  252.553   10.843  798.030   68.382  676.511  117.385  860.451   84.131  231.021   20.562  262.135   12.852 -31.11365 24.24868 
1 1 1    2   14    5 o   80.529   9.3871   82.194   18.523  106.210   30.818   68.612   23.176   91.024   14.007   72.899   13.218 18.12534 19.25908 
1 1 1    2   14    6 o  293.209   21.984  1088.59  159.794   0.0000   0.0000  1088.59  159.794  ?   ?   293.209   21.984 0.000000 21.98386 
1 1 1    2   14    7 o  304.245   12.408  1158.90   94.271  972.074  162.594  1253.51  115.704  276.657   23.766  316.251   14.651 -39.59424 27.91872 
1 1 1    2   14    8 o  237.431   10.867  705.317   64.434  662.800  111.186  726.815   79.063  228.808   19.650  240.545   13.213 -11.73692 23.67904 
1 1 1    2   14    9 o  193.507   9.9074  469.528   47.714  386.404   82.291  511.627   58.563  174.340   19.221  201.860   11.668 -27.52020 22.48550 
1 1 1    2   14   10 o  205.374   10.155  527.519   52.082  439.087   90.047  571.973   63.844  185.920   19.695  213.443   12.027 -27.52309 23.07685 
1 1 1    2   14   11 o  283.802   15.068  1012.04  106.406  978.460  150.458  1045.63  150.502  278.066   21.844  287.633   21.101 -9.567200 30.37078 
1 1 1    2   14   12 o  449.624   16.286  2534.22  182.853  2627.44  316.972  2487.72  223.856  455.226   28.019  445.014   20.144 10.21222 34.50886 
1 1 1    2   14   13 o  431.129   14.208  2327.55  152.963  2312.87  216.441  2342.21  216.205  429.131   20.198  431.862   20.048 -2.731384 28.45809 
1 1 1    2   14   14 o  154.798   8.1920  300.310   31.554  290.753   44.794  309.724   44.457  151.986   11.897  156.941   11.422 -4.955872 16.49264 
1 1 1    2   14   15 o  390.304   13.139  1906.57  128.061  1906.90  181.180  1906.25  181.031  389.875   18.609  389.809   18.597 0.6542969E-01 26.30917 
1 1 1    2   14   16 o  639.691   19.944  5136.86  318.594  5269.86  450.721  5004.04  450.400  646.256   27.929  629.575   28.648 16.68146 40.00939 
1 1 1    2   14   17 o  322.731   10.317  1302.36   83.145  1217.09  117.532  1387.78  117.637  311.730   15.098  332.935   14.149 -21.20526 20.69193 
1 1 1    2   14   18 o  254.671   13.894  814.361   88.025  691.039  124.400  938.022  124.571  233.530   21.576  272.844   18.390 -39.31419 28.34996 
1 1 1    2   14   19 o  289.665   21.723  1060.52  155.986  1060.52  155.986   0.0000   0.0000  289.665   21.723  ?   ?  0.000000 21.72270 
1 1 1    2   14   20 o  536.657   24.081  3627.49  322.713  3883.97  456.764  3371.85  456.007  552.176   33.281  513.543   35.782 38.63306 48.86713 
1 1 1    2   14   21 o  849.441   29.469  9137.35  625.110  9310.71  1083.03  9050.75  765.493  843.931   51.639  842.311   36.393 1.620361 63.17450 
1 1 1    2   14   22 o  364.287   14.333  1663.17  130.389  1802.11  226.521  1594.32  159.454  377.149   24.179  355.835   18.003 21.31393 30.14536 
1 1 1    2   14   23 o  325.325   13.254  1326.29  107.673  1421.29  187.375  1279.45  131.564  334.894   22.537  318.778   16.584 16.11591 27.98100 
1 1 1    2   14   24 o  438.612   16.588  2417.70  181.686  2576.67  315.666  2338.95  222.177  449.202   28.285  430.642   20.660 18.55948 35.02697 
1 1 1    2   14   25 o  532.743   19.843  3581.54  263.982  3436.51  457.858  3653.75  323.089  514.611   35.853  536.739   24.105 -22.12823 43.20275 
1 1 1    2   14   26 o  466.490   17.653  2743.52  205.638  2815.14  357.495  2708.11  251.392  467.029   30.827  462.309   21.776 4.719543 37.74190 
1 1 1    2   14   27 o  556.723   37.122  4075.38  513.128   0.0000   0.0000  4075.38  513.128  ?   ?   556.723   37.122 0.000000 37.12214 
1 1 1    2   14   28 o  353.583   14.095  1573.46  124.456  1657.56  217.828  1532.70  151.644  359.306   24.422  347.801   17.516 11.50430 30.05430 
1 1 1    2   14   29 o  327.137   16.761  1356.16  136.465   0.0000   0.0000  1356.16  136.465  ?   ?   327.137   16.761 0.000000 16.76103 
1 1 1    2   14   30 f  148.403   13.594  279.629   49.820  279.629   49.820   0.0000   0.0000  148.403   13.594  ?   ?  0.000000 13.59437 
1 1 1    2   14   31 o  175.431   8.2179  385.541   36.001  447.925   55.555  340.379   47.269  188.389   11.870  164.165   11.605 24.22421 16.60047 
1 1 1    2   14   32 o  242.932   15.115  748.199   91.243  648.262  132.368  838.674  125.946  223.401   24.109  255.892   19.865 -32.49081 31.23916 
1 1 1    2   14   33 o  217.458   9.9503  593.491   54.034  579.370   80.728  604.952   72.727  213.597   15.235  218.696   13.381 -5.099197 20.27700 
1 1 1    2   14   34 o  171.816   9.6616  371.591   41.285  318.355   65.208  407.210   53.338  157.635   16.825  179.516   11.967 -21.88069 20.64673 
1 1 1    2   14   35 o  139.550   11.086  246.317   38.315  250.984   54.029  241.595   54.344  139.980   15.729  137.206   16.172 2.774323 22.55910 
1 1 1    2   14   36 o  290.624   13.256  1065.32   96.201  1062.65  121.379  1069.84  157.764  288.883   16.899  287.894   22.113 0.9888611 27.83138 
1 1 1    2   14   37 o  296.909   17.765  1125.75  131.114  957.490  193.487  1268.61  178.290  268.596   29.324  312.970   22.973 -44.37344 37.25097 
1 1 1    2   14   38 o  104.962   15.609  142.690   39.666   6.2590   59.479  251.965   53.232   57.111   24.167  140.126   15.471 -83.01499 28.69435 
1 1 1    2   14   39 o  182.063   12.428  420.613   56.168  393.824   77.445  450.342   81.583  174.594   18.022  186.927   17.688 -12.33305 25.25167 
1 1 1    2   14   40 o  144.016   12.369  264.366   44.052  257.553   66.879  269.587   58.546  139.993   19.674  144.307   16.546 -4.313461 25.70615 
1 1 1    2   14   41 o  121.687   12.828  190.088   38.394  181.621   63.433  194.983   48.232  115.713   22.763  122.298   16.191 -6.585350 27.93424 
1 1 1    2   14   42 o  115.706   31.427  194.600   93.155  194.600   93.155   0.0000   0.0000  115.706   31.427  ?   ?  0.000000 31.42675 
1 1 1    2   14   43 o  124.168   12.588  198.937   38.491  253.195   68.911  174.333   46.405  136.771   20.835  114.750   16.683 22.02084 26.69106 
1 1 1    2   14   44 o  143.988   12.841  268.160   45.688  285.590   74.471  257.640   57.855  144.513   21.272  139.344   16.977 5.169800 27.21676 
1 1 1    2   14   45 o  242.012   13.828  760.529   83.221  743.892  112.719  780.464  123.387  235.072   19.374  239.472   20.841 -4.400497 28.45540 
1 1 1    2   14   46 o   91.846   15.292  113.063   33.839   83.308   73.795  120.985   38.078   78.224   28.760   94.473   16.754 -16.24895 33.28409 
1 1 1    2   14   47 o   52.920   16.496   37.439   24.154 -41.2589   95.893   42.771   24.959   58.821   27.292   56.091   16.629 2.729401 31.95871 
1 1 1    2   15    0 o  150.974   10.387  286.432   38.920  351.970   65.509  250.678   48.386  166.807   15.920  140.789   13.946 26.01791 21.16447 
1 1 1    2   15    1 o  184.041   10.021  424.846   45.879  409.001   77.845  433.279   56.791  179.699   17.572  185.651   12.320 -5.952698 21.46068 
1 1 1    2   15    2 o  144.605   11.001  263.103   39.427  225.178   53.121  309.621   58.832  133.023   16.335  156.446   15.253 -23.42360 22.34917 
1 1 1    2   15    3 o  213.641   11.817  572.900   62.800   0.0000   0.0000  572.900   62.800  ?   ?   213.641   11.817 0.000000 11.81717 
1 1 1    2   15    4 o  278.920   21.289  984.038  147.163  984.038  147.163   0.0000   0.0000  278.920   21.289  ?   ?  0.000000 21.28933 
1 1 1    2   15    5 o  130.404   9.4478  213.744   30.558  255.610   51.920  191.558   37.797  142.060   14.855  123.081   12.470 18.97922 19.39520 
1 1 1    2   15    6 o  368.169   14.539  1698.22  133.673  1611.66  230.893  1741.86  163.941  356.394   26.126  372.573   17.621 -16.17905 31.51254 
1 1 1    2   15    7 o  465.247   16.629  2714.60  193.202  2306.17  333.539  2920.84  237.014  425.256   31.635  482.170   19.684 -56.91370 37.25898 
1 1 1    2   15    8 o  381.796   26.424  1848.61  250.378   0.0000   0.0000  1848.61  250.378  ?   ?   381.796   26.424 0.000000 26.42367 
1 1 1    2   15    9 o  510.339   18.798  3269.78  239.570  3111.72  414.519  3349.05  293.563  493.749   33.823  515.827   22.790 -22.07831 40.78465 
1 1 1    2   15   10 o  384.470   15.012  1851.97  144.129  1788.15  249.499  1883.94  176.570  375.467   26.786  387.457   18.249 -11.99054 32.41161 
1 1 1    2   15   11 o  331.853   13.376  1378.68  110.850  1196.83  191.816  1469.86  135.827  307.150   25.231  342.465   15.883 -35.31564 29.81397 
1 1 1    2   15   12 o  489.244   15.769  2999.42  192.655  2743.59  272.366  3255.59  272.545  466.321   23.464  508.930   21.445 -42.60916 31.78787 
1 1 1    2   15   13 o  181.230   12.045  412.742   54.203  440.493   76.863  385.289   76.448  186.725   16.659  174.375   17.806 12.35022 24.38382 
1 1 1    2   15   14 o  225.802   9.2253  637.375   52.019  625.646   73.833  648.936   73.301  223.177   13.308  227.342   12.965 -4.164536 18.57995 
1 1 1    2   15   15 o  487.807   15.670  2981.24  190.882  3107.42  270.179  2855.49  269.718  497.239   21.759  476.523   22.666 20.71573 31.41973 
1 1 1    2   15   16 f  578.677   18.245  4200.49  263.648  4335.75  373.059  4065.54  372.650  586.638   25.466  567.899   26.277 18.73865 36.59230 
1 1 1    2   15   17 o  1191.94   35.953 18062.34  1070.14 18161.55  1513.58 17963.17  1513.25  1184.39   51.175  1177.67   51.456 6.717041 72.57148 
1 1 1    2   15   18 o  277.334   9.7245  961.661   67.347  963.337   95.182  959.981   95.305  277.387   13.741  276.901   13.783 0.4860229 19.46235 
1 1 1    2   15   19 o  108.732   9.3185  148.893   25.057  109.972   43.042  168.846   30.818   91.879   19.370  115.686   10.792 -23.80700 22.17388 
1 1 1    2   15   20 o  175.953   11.771  389.145   51.422  339.175   72.671  439.255   72.773  163.399   18.115  186.532   15.771 -23.13284 24.01795 
1 1 1    2   15   21 o  515.661   23.491  3352.36  302.492  3337.33  427.756  3367.39  427.822  510.861   33.720  513.222   33.567 -2.360840 47.57914 
1 1 1    2   15   22 o  369.657   14.184  1712.93  130.937  1364.62  226.359  1888.08  160.518  326.933   27.996  387.816   16.575 -60.88379 32.53471 
1 1 1    2   15   23 o  401.437   15.472  2022.83  155.105  2193.83  269.237  1937.89  189.757  415.259   26.096  392.330   19.368 22.92886 32.49849 
1 1 1    2   15   24 o  410.708   15.986  2119.71  163.951  2005.32  284.393  2176.65  200.649  395.596   28.990  415.573   19.335 -19.97659 34.84634 
1 1 1    2   15   25 o  199.315   10.570  498.995   52.422  370.432   91.924  560.955   63.815  169.662   22.232  211.167   12.153 -41.50529 25.33671 
1 1 1    2   15   26 o  510.937   19.043  3298.30  242.969  3411.89  421.964  3241.96  297.177  512.634   33.140  504.979   23.566 7.655334 40.66459 
1 1 1    2   15   27 o  390.359   15.095  1918.72  147.147  2100.86  256.567  1829.45  179.625  404.576   25.526  380.259   18.916 24.31689 31.77105 
1 1 1    2   15   28 o  139.765   15.916  249.542   54.561   0.0000   0.0000  249.542   54.561  ?   ?   139.765   15.916 0.000000 15.91638 
1 1 1    2   15   29 o  246.663   10.111  763.171   62.277  1062.40  112.468  630.848   74.790  289.709   15.603  223.472   13.465 66.23705 20.60999 
1 1 1    2   15   30 o  221.438   9.4404  614.841   52.203  625.279   76.375  605.688   71.516  222.357   13.823  218.968   13.140 3.388901 19.07177 
1 1 1    2   15   31 o  582.142   18.623  4304.15  270.730  4341.74  384.063  4267.02  381.689  579.652   26.533  574.592   26.601 5.059570 37.57143 
1 1 1    2   15   32 o  246.311   10.628  761.896   65.371  679.652   95.072  835.651   90.032  231.117   16.583  257.027   14.081 -25.90977 21.75465 
1 1 1    2   15   33 o  113.474   12.510  164.010   34.861  197.627   59.657  146.578   42.958  123.013   20.116  106.340   16.730 16.67269 26.16352 
1 1 1    2   15   34 o  257.074   10.992  830.521   70.566  728.797  103.483  918.936   96.476  239.041   17.457  269.421   14.392 -30.38022 22.62426 
1 1 1    2   15   35 o  240.488   9.5907  725.807   57.596  866.675   87.801  619.402   76.309  261.808   13.475  221.124   13.890 40.68359 19.35243 
1 1 1    2   15   36 o  258.769   11.023  841.973   71.231  793.217  106.381  881.597   95.903  249.359   17.189  263.699   14.621 -14.34019 22.56622 
1 1 1    2   15   37 o  222.131   9.7195  619.652   53.914  716.812   85.557  555.659   69.435  237.653   14.486  209.404   13.348 28.24899 19.69771 
1 1 1    2   15   38 o  399.084   14.398  2016.23  143.488  1904.06  207.381  2119.24  198.741  383.932   21.719  406.800   19.564 -22.86792 29.23149 
1 1 1    2   15   39 o  264.316   15.505  891.069  101.891  914.297  155.904  873.751  134.619  264.004   23.907  259.491   20.953 4.512848 31.79006 
1 1 1    2   15   40 o  209.572   10.859  555.574   56.633  463.282   90.430  615.128   72.642  188.566   19.485  219.854   13.294 -31.28825 23.58818 
1 1 1    2   15   41 o  141.347   9.6086  253.006   33.714  320.996   66.878  229.841   39.037  157.010   17.347  134.210   11.767 22.80002 20.96099 
1 1 1    2   15   42 o   91.794   10.547  108.007   23.738   77.912   63.150  112.960   25.617   77.719   26.809   93.759   11.160 -16.04057 29.03947 
1 1 1    2   15   43 o  154.604   15.113  311.108   57.602  268.806  109.275  327.385   67.784  134.095   32.884  157.559   17.525 -23.46367 37.26262 
1 1 1    2   15   44 o  102.417   10.464  134.711   26.386  137.009   65.773  134.270   28.806   97.369   26.391  101.952   11.516 -4.582588 28.79412 
1 1 1    2   15   45 o  244.227   10.747  761.136   65.541  854.291  108.086  706.965   82.424  254.080   17.135  233.114   14.227 20.96597 22.27181 
1 1 1    2   15   46 o  122.936   10.835  194.724   32.922  137.911   75.428  208.094   36.591   95.450   29.047  126.803   11.687 -31.35369 31.31046 
1 1 1    2   15   47 o  114.949   11.809  171.978   33.417   0.0000   0.0000  171.978   33.417  ?   ?   114.949   11.809 0.000000 11.80934 
1 1 1    2   16    0 o  300.124   11.916  1127.36   89.305  961.694  152.644  1213.58  110.118  275.478   22.383  311.234   14.168 -35.75632 26.49024 
1 1 1    2   16    1 o  193.857   10.729  471.552   51.738  519.345   87.874  446.194   64.008  202.687   17.534  188.252   13.710 14.43483 22.25774 
1 1 1    2   16    2 o  520.071   23.803  3408.17  309.128   0.0000   0.0000  3408.17  309.128  ?   ?   520.071   23.803 0.000000 23.80261 
1 1 1    2   16    3 o  194.005   17.714  476.178   84.873  476.178   84.873   0.0000   0.0000  194.005   17.714  ?   ?  0.000000 17.71413 
1 1 1    2   16    4 o  382.087   18.305  1832.52  174.655  1774.45  245.813  1891.71  248.204  374.000   26.491  386.354   25.876 -12.35355 37.03148 
1 1 1    2   16    5 o  402.165   15.754  2027.33  158.210  2056.27  273.437  2012.77  193.977  402.549   27.364  400.314   19.404 2.235382 33.54539 
1 1 1    2   16    6 o  499.254   18.491  3128.83  230.528  2923.92  398.459  3231.93  282.632  478.607   33.551  506.794   22.333 -28.18762 40.30421 
1 1 1    2   16    7 o  371.366   14.173  1727.34  131.433  1418.26  226.644  1883.95  161.331  334.003   27.415  387.605   16.668 -53.60245 32.08439 
1 1 1    2   16    8 o  512.971   18.976  3303.70  243.076  3129.17  420.454  3391.31  297.908  495.067   34.220  519.062   22.983 -23.99579 41.22164 
1 1 1    2   16    9 o  281.566   21.413  1002.40  149.430   0.0000   0.0000  1002.40  149.430  ?   ?   281.566   21.413 0.000000 21.41279 
1 1 1    2   16   10 o  338.469   13.657  1434.39  115.433  1270.34  199.622  1516.80  141.486  316.444   25.478  347.852   16.288 -31.40814 30.23916 
1 1 1    2   16   11 o  273.026   11.953  932.702   81.495  897.188  141.309  950.400   99.756  266.317   21.429  275.082   14.574 -8.765228 25.91563 
1 1 1    2   16   12 o  392.303   15.337  1928.18  150.249  1833.62  260.317  1975.41  183.989  380.145   27.611  396.764   18.570 -16.61847 33.27440 
1 1 1    2   16   13 o  514.129   16.480  3313.32  211.579  3203.73  299.353  3422.73  299.084  504.492   23.762  521.590   22.962 -17.09735 33.04362 
1 1 1    2   16   14 o  536.925   19.546  3619.31  262.071  3702.02  321.194  3454.57  453.290  542.327   23.717  520.299   35.093 22.02802 42.35550 
1 1 1    2   16   15 o  463.640   20.950  2700.97  242.562  3113.67  343.589  2290.93  342.483  495.851   27.861  423.918   32.602 71.93329 42.88546 
1 1 1    2   16   16 o   98.684   6.9201  122.277   16.945  128.404   24.423  116.589   23.531  100.863   9.8209   96.049   9.9554 4.814041 13.98429 
1 1 1    2   16   17 o  579.328   18.150  4211.10  262.572  4090.64  371.281  4331.63  371.385  569.497   26.107  586.196   25.371 -16.69928 36.40406 
1 1 1    2   16   18 o  313.269   11.244  1227.73   87.961  1280.40  124.489  1175.22  124.303  319.631   15.597  305.735   16.340 13.89587 22.58899 
1 1 1    2   16   19 o  218.373   8.6051  596.131   46.925  570.513   66.261  621.906   66.464  213.122   12.505  222.596   12.001 -9.473358 17.33223 
1 1 1    2   16   20 o  293.081   10.685  1074.65   78.202  1047.30  110.471  1102.11  110.717  288.615   15.383  296.138   15.021 -7.522369 21.50045 
1 1 1    2   16   21 f  235.815   9.9671  695.656   58.693  434.975  100.981  828.653   72.128  184.445   22.383  257.305   11.226 -72.86018 25.03983 
1 1 1    2   16   22 o  353.064   17.194  1566.32  151.594  1704.72  214.573  1428.39  214.200  366.589   23.564  334.889   25.813 31.70007 34.95082 
1 1 1    2   16   23 o  562.916   20.633  3996.99  290.042  3996.13  502.348  3997.43  355.235  555.868   36.390  561.504   25.335 -5.635559 44.34064 
1 1 1    2   16   24 o  762.131   27.418  7400.52  521.822  7462.42  904.051  7369.60  639.017  748.116   48.657  756.596   33.822 -8.479919 59.25686 
1 1 1    2   16   25 o  441.696   16.893  2457.29  186.335  2244.37  322.811  2563.68  228.188  416.706   31.249  450.291   20.293 -33.58542 37.26043 
1 1 1    2   16   26 o  619.811   22.698  4882.72  351.322  4583.59  608.608  5032.21  430.244  587.087   41.786  626.653   27.494 -39.56592 50.01968 
1 1 1    2   16   27 o  108.560   8.2951  148.401   22.317  205.858   42.698  126.804   26.178  127.227   13.653   99.997   10.647 27.22992 17.31363 
1 1 1    2   16   28 o  241.678   13.760  737.536   82.703   0.0000   0.0000  737.536   82.703  ?   ?   241.678   13.760 0.000000 13.76045 
1 1 1    2   16   29 o  216.512   19.663  600.359  105.152  600.359  105.152   0.0000   0.0000  216.512   19.663  ?   ?  0.000000 19.66288 
1 1 1    2   16   30 o  226.055   19.079  653.643  106.694   0.0000   0.0000  653.643  106.694  ?   ?   226.055   19.079 0.000000 19.07884 
1 1 1    2   16   31 o  328.428   12.381  1357.18  101.544  1210.34  145.084  1498.18  142.170  308.024   18.954  344.033   16.548 -36.00916 25.16152 
1 1 1    2   16   32 o  210.357   9.8427  555.278   51.704  474.839   76.268  623.683   70.332  193.109   15.959  222.210   12.728 -29.10194 20.41265 
1 1 1    2   16   33 o  113.239   8.9212  161.768   25.023  141.625   43.010  172.075   30.766  104.403   17.088  116.562   10.689 -12.15848 20.15584 
1 1 1    2   16   34 o  384.489   13.837  1864.97  132.853  1736.36  190.166  1987.58  185.680  368.090   20.773  395.208   18.814 -27.11838 28.02695 
1 1 1    2   16   35 o  127.293   13.439  206.558   42.074  193.716   71.981  213.223   51.854  120.471   24.755  128.697   16.516 -8.225662 29.75854 
1 1 1    2   16   36 o  227.254   10.554  649.024   59.894  577.241   90.681  704.573   79.771  212.517   17.236  235.898   13.599 -23.38135 21.95465 
1 1 1    2   16   37 o  200.712   9.5850  505.853   48.042  546.630   77.514  480.419   61.217  207.261   15.080  194.796   12.653 12.46465 19.68528 
1 1 1    2   16   38 o  192.624   10.211  467.812   48.941  744.042  108.192  396.748   54.876  240.826   18.123  176.900   12.503 63.92570 22.01764 
1 1 1    2   16   39 o  127.444   9.5596  205.328   30.202  243.851   61.506  193.088   34.669  136.850   18.470  123.239   11.394 13.61092 21.70157 
1 1 1    2   16   40 o  183.905   14.340  432.462   65.336  408.561  110.011  445.486   81.209  174.124   26.105  185.532   17.744 -11.40778 31.56471 
1 1 1    2   16   41 o  102.759   10.607  134.764   26.827  111.163   62.624  140.069   29.689   90.001   26.246  104.574   11.562 -14.57312 28.68010 
1 1 1    2   16   42 o   80.855   11.331   84.457   22.251  -1.3365   64.947   95.866   23.684   56.725   24.644   86.253   11.265 -29.52813 27.09674 
1 1 1    2   16   43 o   97.418   10.475  121.712   25.083   78.180   63.736  129.690   27.285   77.318   26.918  100.447   11.061 -23.12877 29.10215 
1 1 1    2   16   44 o  105.628   10.122  142.938   26.371  185.072   64.850  134.590   28.866  114.899   23.397  102.083   11.525 12.81590 26.08150 
1 1 1    2   16   45 f   71.786   16.938   70.319   29.874   97.271  105.203   67.955   31.157   86.479   33.736   70.392   17.733 16.08669 38.11275 
1 1 1    2   16   46 o   46.217   12.840   28.420   15.351  118.362   66.674   23.385   15.774   89.436   27.330   42.576   13.341 46.86016 30.41229 
1 1 1    2   16   47 o   76.813   12.393   77.990   22.962   0.0000   0.0000   77.990   22.962  ?   ?    76.813   12.393 0.000000 12.39257 
1 1 1    2   17    0 o  183.727   17.669  427.773   80.067   0.0000   0.0000  427.773   80.067  ?   ?   183.727   17.669 0.000000 17.66929 
1 1 1    2   17    1 o  216.920   10.431  588.664   56.504  482.541   95.398  646.012   70.129  194.908   19.878  226.811   12.429 -31.90253 23.44421 
1 1 1    2   17    2 o  197.454   10.796  489.233   53.032  553.015   89.760  455.031   65.730  209.203   17.338  190.076   13.945 19.12689 22.25026 
1 1 1    2   17    3 o  138.534   9.4584  241.101   32.525  234.338   53.601  245.043   40.920  135.757   16.126  139.424   11.866 -3.667389 20.02152 
1 1 1    2   17    4 o  306.991   12.841  1179.92   98.438  1109.31  169.273  1216.00  121.002  295.894   23.092  311.451   15.558 -15.55762 27.84365 
1 1 1    2   17    5 o  301.274   15.724  1140.90  117.884  1127.37  165.438  1154.86  168.018  298.460   22.360  302.084   22.433 -3.624359 31.67338 
1 1 1    2   17    6 o  276.000   12.391  953.461   85.400  1070.09  147.237  894.335  104.837  291.087   20.384  266.637   15.816 24.44998 25.80017 
1 1 1    2   17    7 o  773.146   27.423  7552.06  529.461  7304.41  916.286  7676.20  648.727  749.228   49.248  777.265   33.423 -28.03723 59.51878 
1 1 1    2   17    8 o  407.977   15.876  2086.39  161.748  2321.71  280.141  1968.71  198.105  428.124   26.331  395.331   20.134 32.79282 33.14642 
1 1 1    2   17    9 o  408.120   15.784  2087.67  160.867  2361.46  278.827  1951.06  196.952  431.893   25.974  393.569   20.107 38.32462 32.84668 
1 1 1    2   17   10 o  164.188   9.7994  338.284   39.995  357.989   69.278  328.434   48.982  168.148   16.721  161.542   12.233 6.605591 20.71782 
1 1 1    2   17   11 o  210.233   18.313  558.800   95.183   0.0000   0.0000  558.800   95.183  ?   ?   210.233   18.313 0.000000 18.31331 
1 1 1    2   17   12 o  510.059   18.957  3265.95  241.452  3126.49  418.180  3335.70  295.728  494.983   34.038  514.821   23.003 -19.83795 41.08225 
1 1 1    2   17   13 o  177.745   9.4725  396.126   41.893  281.248   59.906  506.076   58.607  148.895   16.383  200.775   11.741 -51.88020 20.15528 
1 1 1    2   17   14 o  721.695   22.350  6552.34  402.786  6448.55  569.743  6656.04  569.507  713.157   31.992  724.719   31.469 -11.56189 44.87508 
1 1 1    2   17   15 o  679.308   20.793  5799.85  352.729  5408.52  498.622  6191.85  499.046  653.508   30.554  699.856   28.555 -46.34875 41.82035 
1 1 1    2   17   16 o  231.846   13.497  675.320   77.802  631.038  109.476  720.508  110.589  223.261   19.843  238.851   18.690 -15.59001 27.25908 
1 1 1    2   17   17 o  142.149   8.4272  253.469   29.781  272.740   42.669  235.164   41.586  147.172   11.707  136.518   12.332 10.65337 17.00336 
1 1 1    2   17   18 o  542.216   17.221  3689.17  233.171  3807.77  329.960  3570.87  329.546  549.568   24.043  532.032   24.804 17.53534 34.54449 
1 1 1    2   17   19 o  191.070   7.0446  456.237   33.612  388.565   47.331  525.088   47.741  175.893   10.828  204.912   9.3299 -29.01871 14.29335 
1 1 1    2   17   20 o  263.756   10.383  870.432   68.385  921.385   96.759  819.579   96.663  270.730   14.364  255.178   15.239 15.55267 20.94124 
1 1 1    2   17   21 o  461.138   14.989  2667.89  172.602  2861.41  244.254  2474.88  243.937  476.573   20.524  442.910   22.055 33.66272 30.12751 
1 1 1    2   17   22 o  348.566   14.087  1524.16  122.621  1454.19  212.104  1559.28  150.280  337.806   25.328  352.171   17.088 -14.36499 30.55352 
1 1 1    2   17   23 o  573.930   21.068  4161.01  301.942  4344.58  523.124  4069.30  369.750  578.832   36.376  565.794   26.170 13.03809 44.81154 
1 1 1    2   17   24 o  207.109   10.081  537.179   52.138  510.553   90.164  550.554   63.905  200.432   18.213  209.163   12.289 -8.730408 21.97119 
1 1 1    2   17   25 o  374.605   14.840  1764.97  138.822  1712.11  240.468  1791.39  170.015  365.147   26.554  376.738   18.072 -11.59058 32.11970 
1 1 1    2   17   26 o  457.732   17.431  2645.64  199.242  2568.39  345.298  2684.19  243.950  444.524   31.306  459.809   21.246 -15.28452 37.83475 
1 1 1    2   17   27 o  155.906   9.7113  305.836   37.621  227.202   66.473  342.892   45.632  132.203   20.824  164.925   11.145 -32.72198 23.61915 
1 1 1    2   17   28 o  470.670   22.130  2826.62  260.108  2393.49  367.921  3259.42  367.775  425.155   34.964  500.465   29.559 -75.30966 45.78454 
1 1 1    2   17   29 o  197.982   10.092  493.040   49.731  472.480   88.739  502.454   60.047  192.064   18.741  199.549   12.107 -7.485291 22.31142 
1 1 1    2   17   30 o  272.323   12.318  932.913   83.766  829.810  147.053  982.437  101.917  253.355   23.511  278.642   14.699 -25.28716 27.72779 
1 1 1    2   17   31 o  271.004   21.158  943.287  142.052   0.0000   0.0000  943.287  142.052  ?   ?   271.004   21.158 0.000000 21.15812 
1 1 1    2   17   32 o   71.706   9.8453   65.717   17.164   6.0595   32.051   89.706   20.324   43.320   17.994   83.977   9.8807 -40.65709 20.52807 
1 1 1    2   17   33 o  103.192   8.5283  134.377   21.779  108.552   39.271  145.848   26.173   90.943   17.930  107.352   9.8741 -16.40917 20.46869 
1 1 1    2   17   34 o  313.986   12.295  1241.15   96.405  1101.26  138.922  1371.10  133.892  293.496   19.058  328.992   16.297 -35.49524 25.07605 
1 1 1    2   17   35 o   95.693   9.6782  116.097   22.809   51.542   45.088  138.300   26.443   65.956   22.659  104.439   10.272 -38.48289 24.87830 
1 1 1    2   17   36 o  180.588   13.793  414.077   61.729  399.333   97.584  423.912   79.701  174.804   22.906  181.749   17.789 -6.945007 29.00231 
1 1 1    2   17   37 o  108.933   9.8695  150.262   26.556   42.942   53.666  185.063   30.560   65.277   24.425  120.928   10.215 -55.65173 26.47517 
1 1 1    2   17   38 o  286.775   12.626  1038.00   90.418  800.902  132.860  1242.54  123.404  248.488   21.627  312.409   15.870 -63.92030 26.82490 
1 1 1    2   17   39 o  206.266   9.7763  535.125   50.356  596.826   82.501  498.489   63.572  216.157   15.384  198.137   12.919 18.01944 20.08935 
1 1 1    2   17   40 o  223.353   10.016  628.493   55.864  679.704   89.974  596.365   71.264  230.269   15.741  216.462   13.248 13.80727 20.57400 
1 1 1    2   17   41 o  255.177   11.862  825.097   75.590  643.461  115.287  962.065  100.113  220.991   21.149  274.117   14.678 -53.12605 25.74368 
1 1 1    2   17   42 o  254.209   16.239  836.343  102.545  786.254  160.020  871.245  133.576  238.994   27.303  256.469   21.042 -17.47537 34.47017 
1 1 1    2   17   43 o  111.451   10.500  158.913   28.879   89.885   66.294  175.080   32.083   81.506   27.481  116.862   11.128 -35.35554 29.64861 
1 1 1    2   17   44 o  211.051   9.9732  565.450   52.562  710.188   91.601  494.400   64.179  233.166   15.826  195.734   13.208 37.43199 20.61304 
1 1 1    2   17   45 o  101.671   10.120  132.763   25.352  247.765   68.903  114.757   27.265  134.046   21.296   93.946   11.888 40.09942 24.38964 
1 1 1    2   17   46 o  114.961   10.019  169.611   28.476  289.601   75.425  149.665   30.752  144.414   21.577  107.418   11.651 36.99622 24.52126 
1 1 1    2   18    0 o   86.166   10.762   94.376   22.653  132.474   34.528   65.588   30.015  101.853   13.941   70.845   17.150 31.00778 22.10141 
1 1 1    2   18    1 o  297.356   15.644  1112.59  115.755   0.0000   0.0000  1112.59  115.755  ?   ?   297.356   15.644 0.000000 15.64378 
1 1 1    2   18    3 o  445.724   16.488  2493.18  183.524  2270.67  316.287  2606.12  225.338  421.834   30.226  455.195   19.824 -33.36145 36.14661 
1 1 1    2   18    4 o  258.491   11.613  836.316   74.965  846.022  128.252  831.279   92.392  258.611   20.015  257.139   14.447 1.471893 24.68459 
1 1 1    2   18    5 o  329.046   13.829  1356.41  113.633  1582.85  196.155  1242.04  139.407  353.820   22.315  314.019   17.852 39.80115 28.57683 
1 1 1    2   18    6 f  224.150   13.337  631.460   74.314  658.636  104.909  604.090  105.284  228.258   18.566  218.393   19.511 9.864471 26.93241 
1 1 1    2   18    7 o  129.151   13.423  211.134   42.658  334.637   58.683   72.742   62.119  162.772   14.592   78.649   26.601 84.12322 30.34052 
1 1 1    2   18    8 o  251.359   11.633  790.651   73.020  910.467  126.034  730.112   89.587  268.586   18.912  240.908   14.966 27.67761 24.11700 
1 1 1    2   18    9 o  442.726   16.565  2458.33  183.138  3013.00  317.854  2182.70  224.069  487.818   26.188  415.959   21.646 71.85950 33.97639 
1 1 1    2   18   10 o  388.842   15.290  1895.03  148.471  1923.16  257.092  1880.95  181.863  389.351   26.601  387.019   18.817 2.332489 32.58418 
1 1 1    2   18   11 o  580.761   21.213  4241.95  307.639  4150.03  532.740  4287.94  376.817  568.848   37.717  582.870   25.889 -14.02228 45.74714 
1 1 1    2   18   12 f  136.034   15.942  235.143   53.128   0.0000   0.0000  235.143   53.128  ?   ?   136.034   15.942 0.000000 15.94178 
1 1 1    2   18   13 o  568.001   17.951  4049.34  254.614  4040.42  360.435  4058.23  359.724  565.878   25.507  567.148   25.399 -1.270203 35.99601 
1 1 1    2   18   14 o  484.823   15.611  2946.58  189.003  2833.13  267.530  3059.62  267.051  474.367   22.584  493.124   21.686 -18.75638 31.31058 
1 1 1    2   18   15 o  639.930   20.007  5147.27  319.709  4964.10  452.218  5330.31  452.056  626.182   28.920  649.182   27.885 -23.00012 40.17400 
1 1 1    2   18   16 o  284.730   11.258  1014.45   80.046  847.515  113.467  1179.83  112.938  259.251   17.631  306.825   14.740 -47.57401 22.98115 
1 1 1    2   18   17 o  127.227   7.9103  203.112   25.007  201.754   36.113  204.364   34.663  126.440   11.566  127.325   11.010 -0.8851318 15.96834 
1 1 1    2   18   18 o  537.391   24.441  3646.50  327.985  3666.66  463.573  3626.29  464.110  534.725   34.908  531.663   35.155 3.062134 49.54271 
1 1 1    2   18   19 o  153.019   7.9839  293.528   30.402  273.470   43.187  313.232   42.805  147.313   11.840  157.822   10.928 -10.50912 16.11249 
1 1 1    2   18   20 o  539.945   16.968  3663.23  228.783  3527.82  323.353  3798.96  323.742  528.065   24.521  548.233   23.647 -20.16785 34.06583 
1 1 1    2   18   21 o  187.209   7.4136  438.175   34.658  390.986   48.779  486.288   49.253  176.347   11.134  196.855   10.053 -20.50793 15.00073 
1 1 1    2   18   22 o  273.748   10.011  938.149   68.434  923.248   96.640  953.138   96.921  270.815   14.341  275.205   14.151 -4.389771 20.14732 
1 1 1    2   18   23 o  700.492   25.276  6241.25  442.135  5877.12  765.138  6423.79  541.738  664.127   46.428  707.608   30.658 -43.48083 55.63694 
1 1 1    2   18   24 o  361.188   14.399  1639.86  129.873  1595.97  224.717  1661.88  159.143  352.880   25.677  363.012   17.556 -10.13248 31.10495 
1 1 1    2   18   25 o  448.046   17.099  2533.06  191.318  2556.06  331.320  2521.55  234.334  444.329   30.037  445.824   21.049 -1.494934 36.67748 
1 1 1    2   18   26 o  110.583   8.6585  154.075   23.719  137.929   41.142  162.113   29.029  103.299   16.505  113.232   10.382 -9.933495 19.49872 
1 1 1    2   18   27 o  186.470   12.101  438.728   56.044   0.0000   0.0000  438.728   56.044  ?   ?   186.470   12.101 0.000000 12.10103 
1 1 1    2   18   28 o  108.909   8.3153  149.436   22.444  139.994   40.671  153.571   26.913  104.069   16.175  110.215   9.8834 -6.146278 18.95561 
1 1 1    2   18   29 o  235.796   11.258  698.533   66.289  646.985  115.963  723.554   80.791  224.320   20.944  239.272   13.577 -14.95256 24.95961 
1 1 1    2   18   30 o   70.415   9.0347   63.173   15.520   58.349   33.713   64.470   17.483   66.934   19.182   70.963   10.155 -4.029930 21.70442 
1 1 1    2   18   31 f  225.899   10.006  640.499   56.443  681.243  100.943  621.965   68.081  231.072   17.626  221.973   12.331 9.099564 21.51140 
1 1 1    2   18   32 o  201.921   13.857  516.645   69.447  461.553  102.459  563.466   94.455  188.609   22.177  209.834   18.206 -21.22467 28.69319 
1 1 1    2   18   33 o  268.830   14.415  915.070   96.415  987.684  140.655  850.708  132.421  277.415   20.448  257.237   20.792 20.17816 29.16213 
1 1 1    2   18   34 o  255.036   9.6628  816.345   61.539  889.152   90.736  754.328   83.743  265.119   13.753  244.126   13.793 20.99263 19.47784 
1 1 1    2   18   35 o  271.807   11.022  928.895   74.809  856.735  109.096  992.940  102.778  259.289   16.942  279.879   14.758 -20.58963 22.46832 
1 1 1    2   18   36 o  174.724   9.9385  384.650   43.184  299.833   67.902  442.255   55.959  152.443   18.197  187.013   12.047 -34.56996 21.82293 
1 1 1    2   18   37 o  121.379   9.0010  185.901   27.088  138.072   52.095  203.626   31.713  101.947   21.156  126.901   10.091 -24.95443 23.43932 
1 1 1    2   18   38 o  345.187   16.845  1517.06  145.203  1717.34  213.484  1344.65  198.078  363.188   23.668  320.469   24.948 42.71838 34.38858 
1 1 1    2   18   39 o  163.698   10.345  338.704   42.072  239.917   70.950  392.278   52.250  134.587   21.861  175.871   11.968 -41.28371 24.92238 
1 1 1    2   18   40 o  168.317   9.3050  357.594   38.959  428.045   69.667  325.539   46.993  182.571   15.425  160.025   11.844 22.54602 19.44770 
1 1 1    2   18   41 o  362.869   13.559  1676.44  122.861  1577.87  179.800  1762.78  168.274  346.965   20.848  369.212   18.251 -22.24710 27.70854 
1 1 1    2   18   42 o  327.175   11.372  1358.27   92.910  1621.80  141.192  1157.01  123.389  354.783   15.937  298.862   16.598 55.92075 23.01055 
1 1 1    2   18   43 o  100.130   10.255  128.383   25.281  127.849   60.036  128.498   27.873   95.172   24.955   99.891   11.377 -4.719032 27.42565 
1 1 1    2   18   44 o   47.842   14.953   29.593   19.832 -14.2118   68.423   33.610   20.722   54.827   24.488   50.561   15.189 4.265717 28.81579 
1 1 1    2   18   45 o  171.983   9.6909  376.950   41.450  512.591   80.871  328.619   48.273  196.996   16.594  159.587   12.206 37.40924 20.59942 
1 1 1    2   18   46 o   61.903   12.670   51.082   18.926   0.0000   0.0000   51.082   18.926  ?   ?    61.903   12.670 0.000000 12.67023 
1 1 1    2   19    0 o   66.890   14.833   58.396   24.127   0.0000   0.0000   58.396   24.127  ?   ?    66.890   14.833 0.000000 14.83280 
1 1 1    2   19    1 o  316.972   23.303  1278.11  183.159  1278.11  183.159   0.0000   0.0000  316.972   23.303  ?   ?  0.000000 23.30297 
1 1 1    2   19    2 f  638.219   23.262  5149.90  370.739  5418.15  641.523  5015.40  454.279  645.730   39.981  627.675   28.983 18.05450 49.38078 
1 1 1    2   19    3 o  385.019   26.815  1888.70  256.203   0.0000   0.0000  1888.70  256.203  ?   ?   385.019   26.815 0.000000 26.81453 
1 1 1    2   19    4 o  142.544   9.9967  255.471   35.359  271.760   58.323  246.005   44.462  146.243   16.245  139.534   12.906 6.709045 20.74790 
1 1 1    2   19    5 o  262.062   11.507  859.763   75.305  779.801  128.646  901.443   92.880  247.956   20.973  267.815   13.936 -19.85910 25.18104 
1 1 1    2   19    6 o  442.918   16.950  2463.08  187.473  2668.86  324.165  2359.67  229.801  457.900   28.491  432.834   21.261 25.06622 35.54909 
1 1 1    2   19    7 o  298.724   12.246  1117.35   91.351  1015.92  157.007  1169.26  112.320  283.050   22.396  305.392   14.728 -22.34247 26.80466 
1 1 1    2   19    8 o  225.874   13.602  641.496   76.363  654.256  106.765  628.131  109.266  227.378   18.977  222.617   19.864 4.761505 27.47139 
1 1 1    2   19    9 o  202.077   13.145  513.615   65.973   0.0000   0.0000  513.615   65.973  ?   ?   202.077   13.145 0.000000 13.14511 
1 1 1    2   19   10 o  136.183   9.3407  233.012   31.573  407.904   54.757  145.905   38.644  180.089   12.249  106.871   14.884 73.21812 19.27632 
1 1 1    2   19   11 o  295.400   11.949  1092.33   88.141  1565.96  153.677  860.145  107.598  353.184   17.424  261.306   16.575 91.87775 24.04888 
1 1 1    2   19   12 o  349.834   13.717  1533.25  119.829  1703.33  208.174  1448.97  146.541  366.946   22.831  339.304   17.353 27.64218 28.67745 
1 1 1    2   19   13 o  475.535   17.541  2839.24  208.294  3132.00  361.612  2693.87  254.812  496.164   29.316  462.456   22.065 33.70862 36.69144 
1 1 1    2   19   14 o  357.294   18.800  1608.66  167.150  1268.86  237.444  1942.47  235.340  314.676   30.604  391.602   24.184 -76.92612 39.00605 
1 1 1    2   19   15 o  137.333   8.0362  236.579   27.440  253.695   40.560  222.136   37.261  141.898   11.547  132.739   11.350 9.158691 16.19097 
1 1 1    2   19   16 o  152.632   8.8688  292.306   33.658  270.131   48.793  312.435   46.489  146.210   13.517  157.523   11.906 -11.31317 18.01282 
1 1 1    2   19   17 f  686.340   20.889  5934.36  358.021  5514.20  506.123  6355.17  506.513  658.178   30.794  707.487   28.670 -49.30933 42.07375 
1 1 1    2   19   18 o  190.771   9.1094  455.233   43.396  465.673   61.798  445.076   60.954  192.340   12.942  188.003   13.064 4.336411 18.38922 
1 1 1    2   19   19 o  278.138   15.260  974.044  105.588  1049.81  148.814  897.236  149.839  287.776   20.849  265.514   22.821 22.26227 30.91085 
1 1 1    2   19   20 o  105.966   8.0588  141.242   21.165  144.459   30.513  138.258   29.384  106.755   11.634  104.436   11.455 2.318832 16.32683 
1 1 1    2   19   21 f  223.693   7.8011  625.814   43.577  645.738   61.571  605.816   61.684  227.049   10.859  219.604   11.286 7.445358 15.66224 
1 1 1    2   19   22 f  299.237   10.725  1121.86   80.142  1177.38  113.344  1066.35  113.332  306.075   14.829  290.764   15.666 15.31143 21.57177 
1 1 1    2   19   23 o  361.759   12.303  1642.13  111.145  1727.39  157.218  1556.94  157.148  370.201   17.006  350.820   17.999 19.38168 24.76221 
1 1 1    2   19   24 o  206.723   11.342  537.653   58.329  471.916  100.919  570.630   71.477  191.690   21.450  212.655   13.530 -20.96529 25.36108 
1 1 1    2   19   25 o  278.007   11.936  970.473   82.866  868.011  143.194  1022.07  101.609  260.224   22.250  284.594   14.344 -24.37003 26.47225 
1 1 1    2   19   26 o  156.158   10.888  307.497   42.194   0.0000   0.0000  307.497   42.194  ?   ?   156.158   10.888 0.000000 10.88841 
1 1 1    2   19   27 o  153.089   16.370  299.496   61.611  299.496   61.611   0.0000   0.0000  153.089   16.370  ?   ?  0.000000 16.37010 
1 1 1    2   19   28 o  108.792   8.5098  149.201   22.935  154.221   40.069  146.756   27.970  109.544   15.045  107.615   10.543 1.929398 18.37142 
1 1 1    2   19   29 o  160.321   9.4932  323.507   37.837  277.186   66.220  345.959   46.104  146.631   18.496  165.555   11.218 -18.92462 21.63234 
1 1 1    2   19   30 o   76.361   9.3669   74.223   17.487   34.824   33.159   89.401   20.582   55.398   19.409   83.808   10.034 -28.41020 21.84883 
1 1 1    2   19   31 o  365.698   14.323  1688.18  130.801  1819.51  227.927  1623.69  159.720  375.041   24.471  357.105   17.968 17.93552 30.35928 
1 1 1    2   19   32 o  202.488   10.195  516.126   51.386  508.941   92.235  519.360   61.878  199.157   18.767  202.754   12.279 -3.597519 22.42746 
1 1 1    2   19   33 o   85.873   8.4242   93.313   17.832   76.049   32.643  100.656   21.289   75.917   17.567   89.031   9.7344 -13.11378 20.08384 
1 1 1    2   19   34 o  138.549   14.532  245.106   49.530  121.767   78.152  327.901   64.031   96.083   29.627  160.074   16.244 -63.99096 33.78796 
1 1 1    2   19   35 o  146.141   10.200  269.573   36.990  151.255   75.363  307.123   42.456  105.756   28.070  155.908   10.975 -50.15155 30.13903 
1 1 1    2   19   36 o  236.382   9.6880  701.673   57.187  742.454   85.735  668.985   76.758  241.947   14.253  229.827   13.433 12.12036 19.58551 
1 1 1    2   19   37 o  164.918   8.3471  341.992   34.264  397.963   57.870  311.779   42.517  177.059   13.183  157.044   10.909 20.01498 17.11142 
1 1 1    2   19   38 o  125.241   9.6844  198.310   30.053  105.997   54.596  238.441   35.997   88.814   24.032  137.245   10.585 -48.43079 26.26014 
1 1 1    2   19   39 o  190.680   10.755  459.623   51.000  446.473  101.697  464.041   58.948  184.144   22.589  191.210   12.413 -7.065979 25.77503 
1 1 1    2   19   40 o  170.283   14.620  371.843   61.565  333.053  105.773  391.717   75.712  155.674   28.249  173.770   17.695 -18.09639 33.33346 
1 1 1    2   19   41 o  310.927   12.084  1226.40   93.827  1181.49  139.717  1263.29  126.630  301.408   18.655  313.202   16.246 -11.79379 24.73732 
1 1 1    2   19   42 o  107.960   10.189  148.718   27.146  103.434   60.771  160.006   30.341   86.452   26.020  111.823   11.008 -25.37132 28.25303 
1 1 1    2   19   43 f  106.894   9.6395  145.771   25.454  186.914   58.720  136.251   28.246  117.174   20.831  102.937   11.168 14.23678 23.63579 
1 1 1    2   19   44 o   45.810   11.986   27.818   13.870   18.061   54.539   28.493   14.341   56.363   23.447   46.352   12.217 10.01101 26.43897 
1 1 1    2   19   45 o  216.488   13.743  608.207   73.909  728.230  119.307  533.465   94.150  231.462   20.866  199.178   19.166 32.28380 28.33183 
1 1 1    2   19   46 o   33.638   13.032   9.7979   15.617   0.0000   0.0000   9.7979   15.617  ?   ?    33.638   13.032 0.000000 13.03249 
1 1 1    2   20    0 o   94.352   14.403  114.465   32.860  139.468   39.336   56.729   59.774  104.128   15.609   72.227   25.983 31.90093 30.31061 
1 1 1    2   20    1 o  381.428   15.414  1830.27  146.815  2058.79  252.756  1713.90  180.361  401.233   25.357  367.722   19.713 33.51147 32.11819 
1 1 1    2   20    2 o  281.811   11.838  995.679   83.305  886.404  141.440  1053.72  103.081  263.782   21.663  289.642   14.252 -25.86050 25.93104 
1 1 1    2   20    3 o  303.225   13.227  1153.51  100.153  1250.29  171.738  1103.64  123.288  313.616   22.070  295.707   16.765 17.90875 27.71508 
1 1 1    2   20    4 o  320.981   13.266  1292.21  106.333  1262.54  182.286  1307.51  130.914  314.971   23.342  322.099   16.329 -7.128815 28.48664 
1 1 1    2   20    5 o  414.498   28.432  2196.76  292.517   0.0000   0.0000  2196.76  292.517  ?   ?   414.498   28.432 0.000000 28.43229 
1 1 1    2   20    6 o  285.579   12.845  1022.18   91.602  1195.69  157.598  933.663  112.570  307.268   20.659  272.082   16.648 35.18555 26.53232 
1 1 1    2   20    7 o  184.180   10.049  425.760   46.044  386.137   77.968  446.978   57.057  174.291   18.182  188.503   12.186 -14.21280 21.88774 
1 1 1    2   20    8 o  126.974   9.5094  202.823   29.933  180.486   50.108  215.217   37.325  118.600   17.440  130.592   11.565 -11.99226 20.92588 
1 1 1    2   20    9 o  327.621   13.193  1345.14  107.934  1529.71  186.719  1252.51  132.273  347.649   21.615  315.330   16.859 32.31934 27.41214 
1 1 1    2   20   10 o  255.297   14.555  820.025   92.409  905.016  130.222  733.812  131.155  267.445   19.636  240.214   22.113 27.23099 29.57238 
1 1 1    2   20   11 o  260.360   11.598  848.764   75.406  1084.19  131.176  732.575   92.154  293.142   18.007  241.146   15.383 51.99657 23.68312 
1 1 1    2   20   12 o  455.315   16.904  2603.95  192.204  2975.92  333.764  2419.39  235.100  483.564   27.756  438.082   21.490 45.48178 35.10326 
1 1 1    2   20   13 o  493.770   18.061  3065.16  222.696  3550.31  386.939  2824.87  272.318  527.637   29.485  473.003   23.055 54.63455 37.42825 
1 1 1    2   20   14 o  220.617   11.260  610.945   61.825  544.998  108.063  643.033   75.380  206.871   21.219  226.107   13.410 -19.23674 25.10116 
1 1 1    2   20   15 o  139.035   12.788  244.265   43.902  201.688   67.687  275.185   57.681  124.524   22.599  147.195   15.948 -22.67023 27.65964 
1 1 1    2   20   16 o  124.360   7.8813  194.153   24.349  241.807   36.487  155.891   32.694  138.579   10.624  110.912   11.995 27.66647 16.02392 
1 1 1    2   20   17 o  395.564   13.411  1962.17  132.470  1813.38  187.597  2110.15  187.087  378.779   19.903  409.447   18.298 -30.66751 27.03563 
1 1 1    2   20   18 o  110.077   8.2848  152.410   22.606  150.659   33.655  153.850   30.516  108.907   12.608  110.260   11.240 -1.352463 16.89094 
1 1 1    2   20   19 o  229.437   9.1722  658.771   52.552  691.372   74.807  627.006   73.841  234.445   12.826  223.165   13.311 11.28041 18.48475 
1 1 1    2   20   20 o  208.023   8.4699  541.435   43.999  563.531   62.650  519.929   61.806  211.680   11.900  203.257   12.234 8.423096 17.06688 
1 1 1    2   20   21 f  187.883   13.015  445.177   60.685  487.552   84.330  399.664   87.397  195.927   17.418  176.688   20.169 19.23909 26.64912 
1 1 1    2   20   22 o  314.598   11.431  1241.24   89.803  1355.47  127.166  1127.61  126.834  328.146   15.519  298.567   17.082 29.57809 23.07901 
1 1 1    2   20   23 o  289.600   10.680  1051.59   77.235  1016.56  109.102  1086.79  109.353  283.672   15.460  293.439   14.973 -9.766754 21.52207 
1 1 1    2   20   24 o  281.321   10.465  992.512   73.515  961.777  103.789  1023.46  104.144  275.869   15.124  284.695   14.699 -8.826324 21.08992 
1 1 1    2   20   25 o  279.502   12.547  982.109   87.574  887.528  151.542  1029.53  107.305  262.548   23.358  285.346   15.113 -22.79837 27.82075 
1 1 1    2   20   26 o  212.972   10.209  569.080   54.292  461.012   93.835  623.466   66.566  189.359   20.154  222.389   12.031 -33.03038 23.47164 
1 1 1    2   20   27 f  249.266   11.354  780.721   70.675  828.792  122.475  756.723   86.537  254.589   19.411  244.564   14.231 10.02504 24.06879 
1 1 1    2   20   28 o  133.467   8.9792  224.334   29.753  207.012   51.575  232.973   36.425  126.817   16.691  135.766   10.834 -8.948135 19.89923 
1 1 1    2   20   29 o  217.530   10.547  594.290   57.292  562.270   99.260  610.287   70.158  209.355   19.200  219.764   12.840 -10.40938 23.09781 
1 1 1    2   20   30 o  242.717   11.292  740.629   68.444  680.740  118.701  770.458   83.772  229.919   20.903  246.803   13.645 -16.88376 24.96228 
1 1 1    2   20   31 o  138.006   8.7141  239.734   29.877  243.178   52.944  238.125   36.189  137.777   15.667  137.267   10.641 0.5101776 18.93862 
1 1 1    2   20   32 o  134.471   7.6872  227.255   25.707  303.211   47.698  196.162   30.518  154.678   12.454  124.617   9.8880 30.06071 15.90230 
1 1 1    2   20   33 o  266.291   11.371  891.890   75.615  679.424  108.054  1095.78  105.851  230.199   18.966  294.518   14.392 -64.31967 23.80841 
1 1 1    2   20   34 o  368.083   13.599  1709.88  125.001  1419.82  177.734  1993.78  175.838  332.114   21.547  395.974   17.783 -63.86017 27.93723 
1 1 1    2   20   35 o  180.068   8.7526  406.716   39.357  401.342   59.946  410.787   52.178  177.795   13.605  180.281   11.652 -2.486191 17.91299 
1 1 1    2   20   36 o  258.239   15.309  847.729   98.286  797.971  143.614  891.565  134.798  247.545   23.515  262.957   20.695 -15.41208 31.32479 
1 1 1    2   20   37 o  207.319   9.8632  540.164   51.063  507.412   76.867  566.033   68.315  199.401   15.560  211.334   13.008 -11.93307 20.28121 
1 1 1    2   20   38 f  192.748   9.1558  466.745   44.069  422.791   68.699  497.481   57.446  181.848   15.270  198.284   11.653 -16.43550 19.20814 
1 1 1    2   20   39 o   90.779   7.8643  104.192   17.652  121.578   43.633  100.789   19.302   95.697   18.929   89.134   8.7858 6.563324 20.86848 
1 1 1    2   20   40 o  192.980   8.8377  468.521   42.589  577.884   71.291  407.832   53.108  212.858   13.482  179.111   11.942 33.74712 18.01020 
1 1 1    2   20   41 o  175.550   15.030  397.259   65.254  331.798  108.272  434.600   81.774  153.804   29.259  182.380   18.198 -28.57637 34.45699 
1 1 1    2   20   42 o   59.035   16.839   46.329   26.041   66.577   82.551   44.091   27.442   77.868   30.021   57.917   17.497 19.95176 34.74791 
1 1 1    2   20   43 o   38.529   11.769   19.016   12.365 -16.4305   47.833   21.555   12.800   45.309   20.338   40.703   11.865 4.605976 23.54610 
1 1 1    2   20   44 o   80.426   10.460   83.585   20.510   47.977   54.303   89.510   22.151   64.990   24.519   83.145   10.934 -18.15482 26.84608 
1 1 1    2   20   45 o  103.793   10.744  138.838   27.445   0.0000   0.0000  138.838   27.445  ?   ?   103.793   10.744 0.000000 10.74441 
1 1 1    2   21    0 o  162.573   10.243  332.833   41.372  369.289   66.909  310.267   52.641  170.306   15.917  156.418   13.613 13.88803 20.94425 
1 1 1    2   21    1 o  317.472   15.996  1274.64  126.407  1174.71  175.404  1382.62  182.330  302.536   23.399  328.735   22.343 -26.19916 32.35347 
1 1 1    2   21    2 o  414.525   15.507  2164.76  160.523  2005.55  275.861  2246.27  197.382  394.035   28.222  421.388   18.757 -27.35339 33.88704 
1 1 1    2   21    3 o  231.205   11.783  672.371   67.805  791.205  115.248  609.461   83.853  249.564   18.627  219.508   15.395 30.05588 24.16527 
1 1 1    2   21    4 o  399.766   15.515  2010.98  154.885  1972.32  266.704  2030.65  190.256  391.808   27.432  400.941   19.002 -9.133301 33.37051 
1 1 1    2   21    5 o  492.818   18.556  3064.37  228.362  3215.76  394.697  2988.19  279.984  498.899   31.847  485.264   23.105 13.63422 39.34569 
1 1 1    2   21    6 o  226.513   19.282  652.070  108.028   0.0000   0.0000  652.070  108.028  ?   ?   226.513   19.282 0.000000 19.28163 
1 1 1    2   21    7 o  481.566   18.124  2922.01  217.953  3288.72  377.405  2738.51  266.972  506.105   29.996  464.919   22.995 41.18604 37.79575 
1 1 1    2   21    8 o  487.500   18.285  2994.03  222.597  3327.80  385.544  2827.14  272.627  509.102   30.466  472.463   23.107 36.63907 38.23787 
1 1 1    2   21    9 o  459.472   17.431  2656.93  199.997  3025.12  346.672  2473.27  244.851  486.219   28.679  441.667   22.272 44.55280 36.31142 
1 1 1    2   21   10 o  300.896   12.811  1135.23   96.259  1218.77  166.635  1093.39  117.925  309.831   21.674  294.510   16.095 15.32095 26.99653 
1 1 1    2   21   11 o  541.930   24.610  3723.58  333.046  4022.47  471.251  3425.34  470.745  558.506   33.950  513.722   36.942 44.78394 50.17254 
1 1 1    2   21   12 o  139.088   8.9716  243.044   30.995  402.499   55.398  170.385   37.395  178.758   12.489  115.825   13.163 62.93345 18.14457 
1 1 1    2   21   13 o  257.066   11.181  827.748   71.777  1141.37  125.912  676.768   87.362  300.795   16.830  231.642   15.187 69.15273 22.66936 
1 1 1    2   21   14 o  528.912   19.500  3527.51  257.548  3835.71  447.092  3374.45  315.077  545.676   32.965  515.861   24.459 29.81488 41.04787 
1 1 1    2   21   15 o  116.525   9.2143  170.974   26.594  142.495   40.381  192.785   35.339  105.330   15.843  123.499   11.595 -18.16931 19.63238 
1 1 1    2   21   16 o  165.125   7.8842  341.027   32.510  437.601   48.209  260.482   44.027  186.646   10.384  143.605   12.399 43.04033 16.17306 
1 1 1    2   21   17 o  427.139   21.070  2307.03  224.743  2009.21  319.131  2600.06  316.554  393.906   32.740  450.366   28.291 -56.46060 43.26976 
1 1 1    2   21   18 o  501.213   16.336  3161.83  204.467  3153.34  289.587  3170.26  288.734  498.504   23.263  499.885   23.130 -1.381226 32.80479 
1 1 1    2   21   19 o  126.779   7.9254  201.869   24.965  244.233   37.058  166.666   33.781  139.193   10.745  114.658   11.975 24.53511 16.08877 
1 1 1    2   21   20 o  335.797   11.543  1414.25   96.791  1423.13  137.166  1405.45  136.601  336.093   16.343  333.992   16.378 2.100739 23.13751 
1 1 1    2   21   21 o  395.554   13.240  1965.99  130.784  1851.88  184.973  2080.07  184.941  382.033   19.453  405.716   18.254 -23.68335 26.67675 
1 1 1    2   21   22 o  161.500   12.804  329.756   51.216  365.915   69.843  287.695   75.329  169.474   16.721  149.184   20.785 20.28960 26.67612 
1 1 1    2   21   23 o  272.007   11.915  929.302   80.934  1199.33  140.022  793.826   99.180  307.247   18.333  250.325   15.949 56.92203 24.29989 
1 1 1    2   21   24 o   59.678   8.2763   45.450   12.002   57.733   17.636   34.855   16.380   66.968   10.923   51.635   12.773 15.33350 16.80663 
1 1 1    2   21   25 o  107.800   7.0168  146.049   18.786  109.889   30.759  167.562   23.725   92.418   13.747  115.361   8.2908 -22.94277 16.05326 
1 1 1    2   21   26 o  301.666   22.853  1172.11  170.876  1172.11  170.876   0.0000   0.0000  301.666   22.853  ?   ?  0.000000 22.85288 
1 1 1    2   21   27 o   97.317   9.1404  119.799   21.953   29.535   38.356  163.771   26.771   55.140   20.646  113.869   9.5016 -58.72945 22.72722 
1 1 1    2   21   28 o  198.051   10.128  493.708   49.920  502.696   86.811  489.267   61.018  198.241   17.723  196.747   12.484 1.493607 21.67844 
1 1 1    2   21   29 o  110.236   8.6689  153.285   23.671  147.022   41.556  156.293   28.800  106.613   16.111  111.059   10.510 -4.445580 19.23615 
1 1 1    2   21   30 o  175.220   11.984  388.179   52.123  311.256   73.749  464.953   73.677  155.118   19.468  191.072   15.577 -35.95345 24.93256 
1 1 1    2   21   31 o  336.703   17.025  1442.25  142.682  1468.04  201.857  1416.51  201.708  336.580   24.177  330.368   24.627 6.211792 34.51108 
1 1 1    2   21   32 o   58.194   7.7326   43.168   10.959   50.723   20.553   40.167   12.954   62.222   13.607   55.785   9.6481 6.436775 16.68036 
1 1 1    2   21   33 o  313.350   11.717  1235.80   91.687  1115.73  130.298  1353.56  129.041  295.728   17.726  326.876   15.809 -31.14807 23.75100 
1 1 1    2   21   34 o  331.612   12.049  1384.98   99.774  1270.94  142.003  1496.17  140.216  315.472   18.101  343.421   16.350 -27.94907 24.39216 
1 1 1    2   21   35 o  267.105   11.374  897.960   75.868  723.311  108.756  1063.52  105.888  237.511   18.482  289.562   14.692 -52.05043 23.61026 
1 1 1    2   21   36 o  173.214   8.3042  376.291   35.920  360.296   54.259  388.771   47.925  168.464   12.998  175.432   10.995 -6.967865 17.02481 
1 1 1    2   21   37 o  218.475   8.2488  598.797   45.003  671.275   68.291  543.162   59.832  230.431   11.909  207.284   11.606 23.14746 16.62842 
1 1 1    2   21   38 o  224.906   13.302  642.327   74.375  706.817  111.488  590.612   99.838  233.880   19.260  213.802   18.894 20.07738 26.98045 
1 1 1    2   21   39 o  128.686   9.1241  209.303   29.130  216.103   67.201  207.730   32.325  127.310   21.929  128.006   10.197 -0.6964722 24.18433 
1 1 1    2   21   40 o  226.888   8.9494  647.980   50.705  711.659   78.352  602.094   66.511  236.260   13.335  217.601   12.290 18.65953 18.13469 
1 1 1    2   21   41 o  190.632   9.0584  458.127   43.122  453.638   68.690  461.047   55.399  187.677   14.776  190.286   11.715 -2.609085 18.85684 
1 1 1    2   21   42 o   52.778   11.520   36.739   14.756  -3.1169   41.419   42.533   15.792   45.227   19.665   56.869   11.515 -11.64272 22.78818 
1 1 1    2   21   43 o  115.276   15.338  174.693   43.056  154.379   92.950  180.243   48.582  102.015   32.437  116.384   17.237 -14.36880 36.73279 
1 1 1    2   21   44 o   91.306   16.738  112.181   36.757   71.406   95.410  119.288   39.832   79.836   31.822   93.879   17.638 -14.04346 36.38322 
1 1 1    2   21   45 f   25.477   10.804   0.6691   11.931   0.0000   0.0000   0.6691   11.931  ?   ?    25.477   10.804 0.000000 10.80448 
1 1 1    2   22    0 o  101.072   10.641  129.762   26.455  163.510   40.882  105.449   34.700  112.793   14.877   89.951   16.036 22.84192 21.87440 
1 1 1    2   22    1 o  287.157   12.572  1038.04   90.152  1071.44  153.524  1020.46  111.377  288.767   21.443  283.628   15.788 5.139252 26.62822 
1 1 1    2   22    2 f  179.886   11.935  408.532   53.307  331.944   70.035  514.017   82.192  160.919   17.722  200.939   16.527 -40.01970 24.23222 
1 1 1    2   22    3 o  181.540   10.564  414.905   47.684  443.202   79.342  398.906   59.661  186.419   17.239  177.515   13.561 8.903870 21.93370 
1 1 1    2   22    4 o  391.860   15.704  1936.79  153.668  2126.49  264.958  1840.64  188.634  406.169   26.263  380.348   19.930 25.82181 32.96907 
1 1 1    2   22    5 o   46.169   12.461   27.670   14.700   34.974   22.105   21.878   19.683   52.398   15.676   43.628   14.972 8.770645 21.67698 
1 1 1    2   22    6 o  456.382   17.104  2628.56  194.926  2459.42  336.332  2714.11  239.195  435.134   31.159  462.606   20.706 -27.47263 37.41107 
1 1 1    2   22    7 o  559.670   20.743  3969.95  289.906  4457.87  502.209  3726.10  355.033  584.518   34.560  539.760   26.340 44.75757 43.45319 
1 1 1    2   22    8 o  136.052   16.522  236.571   54.983   0.0000   0.0000  236.571   54.983  ?   ?   136.052   16.522 0.000000 16.52245 
1 1 1    2   22    9 o  141.438   9.7355  251.725   34.176  498.005   59.024  127.517   41.917  198.898   11.939   99.126   17.577 99.77237 21.24863 
1 1 1    2   22   10 o  551.630   20.257  3849.20  279.048  4128.36  483.661  3709.91  341.645  563.441   34.542  539.583   25.355 23.85760 42.84864 
1 1 1    2   22   11 o  350.970   13.595  1546.96  119.153  2128.44  207.597  1261.30  145.506  410.233   20.265  315.600   18.544 94.63303 27.46891 
1 1 1    2   22   12 o  122.781   9.3980  189.846   28.596  241.960   51.072  166.045   34.514  137.914   15.075  114.403   12.273 23.51139 19.43889 
1 1 1    2   22   13 o  154.521   12.062  301.284   46.175  357.257   65.823  247.053   64.791  167.753   15.903  138.585   19.241 29.16846 24.96223 
1 1 1    2   22   14 o  276.856   11.440  961.011   79.093  1252.38  138.552  820.167   96.331  314.660   17.705  254.918   15.202 59.74258 23.33560 
1 1 1    2   22   15 o  288.396   12.586  1043.80   90.642  1068.77  157.987  1031.55  110.668  289.513   22.018  285.901   15.559 3.612793 26.96049 
1 1 1    2   22   16 o   97.250   8.3874  119.237   20.170  159.750   32.573   94.044   25.686  112.243   11.798   85.701   12.360 26.54163 17.08649 
1 1 1    2   22   17 o  302.903   11.432  1150.73   86.475  1139.45  123.297  1161.65  121.316  300.247   16.508  303.261   16.077 -3.014008 23.04306 
1 1 1    2   22   18 o  264.991   16.944  889.266  111.538  606.912  160.229  1154.72  155.361  214.927   30.728  301.104   20.789 -86.17673 37.10030 
1 1 1    2   22   19 o  105.054   8.9065  139.193   23.145  178.434   31.787   94.912   33.767  118.796   10.834   85.350   16.439 33.44552 19.68834 
1 1 1    2   22   20 f  238.035   10.136  710.345   60.248  738.370   85.811  683.099   84.610  241.791   14.275  232.463   14.650 9.328201 20.45503 
1 1 1    2   22   21 o  213.632   9.7545  572.118   52.038  515.143   73.947  628.015   73.244  201.669   14.787  223.072   13.207 -21.40370 19.82626 
1 1 1    2   22   22 o  203.939   8.4791  520.970   43.182  502.872   61.305  538.791   60.834  199.633   12.358  206.754   11.832 -7.121063 17.10899 
1 1 1    2   22   23 o  174.583   9.3263  383.200   40.512  377.466   57.576  388.823   57.014  172.625   13.463  175.279   13.121 -2.653519 18.79909 
1 1 1    2   22   24 f  122.852   19.661  196.559   58.283   0.0000   0.0000  196.559   58.283  ?   ?   122.852   19.661 0.000000 19.66123 
1 1 1    2   22   25 o  142.817   10.498  257.485   37.177  234.735   44.252  312.056   68.537  135.876   13.209  155.820   17.941 -19.94395 22.27941 
1 1 1    2   22   26 o  192.612   9.5613  465.488   45.989  500.400   65.019  430.536   65.057  198.846   13.168  184.158   14.258 14.68874 19.40847 
1 1 1    2   22   27 o  351.774   14.654  1563.29  128.725  1299.86  222.839  1695.22  157.697  314.497   28.690  365.485   17.278 -50.98865 33.49126 
1 1 1    2   22   28 o  267.010   12.020  897.391   80.149  591.408  138.595  1051.13   98.242  211.944   26.784  288.647   13.629 -76.70259 30.05276 
1 1 1    2   22   29 o   97.280   8.8510  119.653   21.266   99.186   38.116  128.904   25.625   86.755   18.176  100.783   10.328 -14.02769 20.90528 
1 1 1    2   22   30 o  223.839   10.977  629.953   61.357  564.632  106.599  662.316   75.032  209.138   20.682  228.798   13.188 -19.65947 24.52943 
1 1 1    2   22   31 o  112.663   10.980  161.081   30.498  148.541   43.803  172.880   42.488  106.928   16.971  115.979   15.023 -9.051331 22.66551 
1 1 1    2   22   33 o  273.891   21.396  967.854  145.175  967.854  145.175   0.0000   0.0000  273.891   21.396  ?   ?  0.000000 21.39562 
1 1 1    2   22   34 o  229.050   13.383  664.523   76.216  730.260  107.894  599.050  107.678  238.735   18.236  215.436   20.253 23.29874 27.25302 
1 1 1    2   22   35 o  114.643   7.5064  165.395   21.371  132.552   32.225  191.179   28.553  101.688   12.987  123.043   9.3631 -21.35547 16.01026 
1 1 1    2   22   36 o  239.394   9.4445  719.883   56.460  725.158   81.269  714.962   78.497  239.110   13.667  237.520   13.288 1.590820 19.06191 
1 1 1    2   22   37 o  102.029   7.5252  131.217   19.038  153.867   33.032  119.951   23.296  109.748   12.262   97.203   9.7280 12.54478 15.65244 
1 1 1    2   22   38 o  156.137   8.0030  306.767   31.099  327.575   48.626  292.364   40.454  160.553   12.220  151.943   10.731 8.610489 16.26274 
1 1 1    2   22   39 o  128.241   8.2567  207.482   26.301  212.736   43.335  204.418   33.093  128.726   13.691  126.875   10.540 1.850525 17.27859 
1 1 1    2   22   40 o  139.740   12.238  249.517   42.276  253.571   67.074  246.844   54.455  138.344   19.995  137.844   16.124 0.4994965 25.68681 
1 1 1    2   22   41 o  144.725   11.200  267.082   40.164  360.255   65.800  211.755   50.705  166.549   16.019  127.213   16.339 39.33593 22.88136 
1 1 1    2   22   42 o   97.792   8.7033  121.617   21.032  109.905   41.807  125.585   24.335   89.951   19.197   99.112   9.9675 -9.160873 21.63018 
1 1 1    2   22   43 o  183.453   8.5677  425.244   39.250  471.729   63.930  397.122   49.725  191.128   13.481  176.152   11.365 14.97597 17.63217 
1 1 1    2   22   44 o   38.899   12.189   19.291   13.167   0.0000   0.0000   19.291   13.167  ?   ?    38.899   12.189 0.000000 12.18870 
1 1 1    2   23    0 o  119.228   10.542  180.239   31.065  239.415   49.316  141.315   39.997  136.693   14.677  104.351   15.847 32.34199 21.59996 
1 1 1    2   23    1 o  375.327   14.708  1783.72  137.854  1698.62  236.342  1827.61  169.714  359.853   26.487  378.629   17.950 -18.77548 31.99582 
1 1 1    2   23    2 f  220.263   10.831  610.076   59.574  568.019   99.938  633.260   74.199  210.118   19.261  223.615   13.348 -13.49710 23.43422 
1 1 1    2   23    3 o  171.125   10.297  369.129   43.798  421.819   72.941  339.420   54.771  181.765   16.241  163.490   13.537 18.27448 21.14309 
1 1 1    2   23    4 o   93.821   12.625  112.770   28.829   94.412   35.289  149.607   49.988   84.813   17.249  106.831   19.455 -22.01865 26.00032 
1 1 1    2   23    5 o  167.872   10.295  355.020   42.949  393.029   71.985  334.011   53.518  175.471   16.626  162.315   13.321 13.15572 21.30456 
1 1 1    2   23    6 o   61.681   11.723   49.374   17.397   59.528   27.418   42.530   22.508   67.303   16.452   57.096   15.423 10.20617 22.55053 
1 1 1    2   23    7 o  186.587   10.772  438.367   49.976  570.962   85.350  369.185   61.650  212.004   16.245  170.538   14.618 41.46570 21.85366 
1 1 1    2   23    8 o  130.230   9.6567  213.756   31.181  315.531   52.709  158.967   38.673  157.792   13.507  111.479   14.216 46.31318 19.60924 
1 1 1    2   23    9 o  295.136   22.437  1116.06  164.125   0.0000   0.0000  1116.06  164.125  ?   ?   295.136   22.437 0.000000 22.43711 
1 1 1    2   23   10 f  147.243   9.7979  272.932   35.821  330.520   62.005  244.084   43.885  161.186   15.600  138.783   12.807 22.40256 20.18353 
1 1 1    2   23   11 o  166.799   9.8190  349.895   40.718  415.539   70.712  317.331   49.804  180.873   15.815  158.421   12.696 22.45189 20.28027 
1 1 1    2   23   12 o  207.072   10.520  539.056   54.222  631.144   94.820  494.311   66.095  222.918   17.165  197.827   13.459 25.09138 21.81302 
1 1 1    2   23   13 f  130.916   9.6573  215.926   31.349  285.193   56.378  184.923   37.717  149.698   15.296  120.666   12.708 29.03137 19.88659 
1 1 1    2   23   14 o  348.002   17.234  1529.61  149.766  1700.82  212.292  1359.96  211.315  364.490   23.448  324.711   26.286 39.77802 35.22453 
1 1 1    2   23   15 o  308.427   12.820  1195.45   98.741  1414.11  172.410  1088.72  120.452  333.078   20.833  293.266   16.515 39.81274 26.58492 
1 1 1    2   23   16 o  262.151   11.596  862.718   75.911  987.917  132.679  801.791   92.557  278.597   19.188  251.880   14.780 26.71744 24.22041 
1 1 1    2   23   17 o  241.222   10.178  729.648   61.307  704.152   88.228  753.453   85.252  235.906   15.055  244.262   14.035 -8.355453 20.58284 
1 1 1    2   23   18 o  286.509   11.258  1030.50   80.549  1027.69  115.064  1033.21  112.797  284.839   16.244  285.697   15.873 -0.8573914 22.71161 
1 1 1    2   23   19 o  216.846   9.4585  589.457   51.218  621.057   73.782  560.066   71.157  221.748   13.387  210.497   13.610 11.25113 19.09025 
1 1 1    2   23   20 o  239.810   13.619  726.508   81.220  787.460  119.322  673.885  110.870  248.256   19.402  229.508   19.530 18.74767 27.52922 
1 1 1    2   23   21 f  106.378   8.8253  142.791   23.232  164.580   34.650  124.996   31.314  113.727   12.402   98.821   13.005 14.90639 17.97045 
1 1 1    2   23   22 o  100.613   8.1864  127.654   20.390  137.783   30.268  119.238   27.589  104.018   11.865   96.706   11.660 7.311928 16.63491 
1 1 1    2   23   23 o  201.325   8.8226  508.146   44.355  506.940   62.975  509.334   62.484  200.265   12.658  200.765   12.526 -0.4994202 17.80753 
1 1 1    2   23   24 o  222.486   9.0802  620.823   50.449  594.783   71.412  646.765   71.278  216.830   13.252  226.265   12.666 -9.434509 18.33165 
1 1 1    2   23   25 o  334.568   18.111  1427.12  150.753  1699.25  211.824  1147.82  214.598  362.662   23.516  294.845   29.544 67.81683 37.76042 
1 1 1    2   23   26 o  212.047   9.9831  564.601   52.863  590.128   74.831  539.172   74.688  215.771   13.963  206.056   14.610 9.715027 20.20885 
1 1 1    2   23   27 f  332.016   12.031  1387.93   99.752  1391.87  141.088  1383.99  141.054  330.652   17.146  329.694   17.192 0.9577332 24.28078 
1 1 1    2   23   28 o  248.234   12.755  778.725   78.797  582.353  137.316  875.136   96.215  210.108   26.780  262.677   14.727 -52.56906 30.56269 
1 1 1    2   23   29 o  152.762   9.9581  294.318   37.780  256.800   67.404  311.503   45.620  140.515   19.755  156.882   11.730 -16.36649 22.97489 
1 1 1    2   23   30 o  191.925   10.591  464.397   50.565  337.302   89.118  524.740   61.407  160.400   22.899  203.756   12.123 -43.35512 25.91006 
1 1 1    2   23   31 o  167.632   11.408  355.220   47.470  387.235   69.024  326.487   65.389  174.049   16.062  159.548   16.658 14.50032 23.14031 
1 1 1    2   23   37 o   82.444   10.916   87.101   21.922   95.816   31.663   79.079   30.381   85.582   15.381   77.407   16.235 8.175110 22.36414 
1 1 1    2   23   38 o  109.408   7.4818  150.874   20.319  143.076   30.987  156.757   26.912  105.746   11.944  111.165   9.7945 -5.418976 15.44613 
1 1 1    2   23   39 f  112.126   7.3664  158.490   20.511  175.121   32.458  147.434   26.466  117.182   11.229  107.691   9.9539 9.490417 15.00597 
1 1 1    2   23   40 o  164.000   8.0612  338.303   33.014  344.487   49.889  333.486   44.034  164.274   12.250  161.973   10.951 2.301407 16.43093 
1 1 1    2   23   41 o  150.110   7.4148  283.368   27.794  347.765   43.636  239.404   36.055  165.350   10.624  137.071   10.616 28.27820 15.01921 
1 1 1    2   23   42 o   94.177   11.433  114.463   26.337  151.612   45.485   95.725   32.304  106.483   17.729   84.738   15.849 21.74469 23.78003 
1 1 1    2   23   43 o  136.890   10.474  239.642   35.532  367.006   57.757  162.087   45.070  168.200   13.875  110.204   16.918 57.99610 21.87958 
1 1 1    2   23   44 o  128.577   10.011  211.503   31.890   0.0000   0.0000  211.503   31.890  ?   ?   128.577   10.011 0.000000 10.01099 
1 1 1    2   24    0 o  178.804   11.273  404.940   50.077  514.206   82.990  342.374   62.799  199.960   16.775  163.255   15.594 36.70502 22.90337 
1 1 1    2   24    1 f  235.025   20.161  716.364  117.182   0.0000   0.0000  716.364  117.182  ?   ?   235.025   20.161 0.000000 20.16146 
1 1 1    2   24    2 o  372.473   14.974  1761.03  139.281  1759.96  239.067  1761.58  171.368  365.332   26.382  370.938   18.500 -5.606079 32.22237 
1 1 1    2   24    3 o  142.898   9.9665  257.948   35.342  292.802   57.689  237.009   44.715  151.120   15.507  136.311   13.306 14.80887 20.43302 
1 1 1    2   24    4 o   54.828   11.953   39.337   15.903   15.617   23.771   58.558   21.397   42.203   16.150   66.955   13.266 -24.75214 20.90004 
1 1 1    2   24    5 o  165.527   12.038  346.953   49.416  295.838   66.036  412.004   74.497  151.468   17.798  179.334   16.832 -27.86555 24.49653 
1 1 1    2   24    6 o  415.212   16.399  2186.68  170.030  2227.76  293.417  2165.91  208.630  411.660   28.723  411.530   20.301 0.1290894 35.17302 
1 1 1    2   24    7 o  169.556   10.300  362.402   43.404  511.907   73.969  283.894   53.602  200.711   14.864  149.217   14.571 51.49382 20.81452 
1 1 1    2   24    8 f  169.908   10.028  363.643   42.361  467.084   72.460  309.934   52.212  191.632   15.269  156.220   13.517 35.41174 20.39222 
1 1 1    2   24    9 o  192.087   10.405  464.618   49.725  524.595   85.582  434.052   61.095  202.766   17.060  185.137   13.304 17.62941 21.63434 
1 1 1    2   24   10 o  237.690   11.266  709.914   66.868  867.837  116.000  631.323   81.832  260.957   17.909  223.169   14.767 37.78874 23.21221 
1 1 1    2   24   11 f   70.886   16.624   66.103   28.918   0.0000   0.0000   66.103   28.918  ?   ?    70.886   16.624 0.000000 16.62408 
1 1 1    2   24   12 o  204.229   10.326  524.786   52.491  789.673   92.584  399.311   63.721  249.713   14.915  177.355   14.515 72.35780 20.81215 
1 1 1    2   24   13 f  493.397   18.511  3089.61  228.077  3393.09  395.940  2938.90  279.019  508.622   31.326  478.937   23.329 29.68503 39.05849 
1 1 1    2   24   14 o  325.839   12.923  1336.28  105.155  1763.65  183.951  1128.83  128.160  371.820   19.884  298.067   17.293 73.75266 26.35131 
1 1 1    2   24   15 o  190.074   9.2628  452.959   43.966  688.734   78.757  346.218   52.991  233.445   13.568  165.360   12.936 68.08476 18.74684 
1 1 1    2   24   16 f   62.848   14.817   51.827   22.874   95.064   33.218   12.835   31.545   85.350   16.178   45.498   18.242 39.85152 24.38193 
1 1 1    2   24   17 o   94.074   9.1541  111.996   21.232  183.180   40.062   84.192   25.038  119.820   13.632   80.814   12.836 39.00585 18.72400 
1 1 1    2   24   18 o   69.265   10.268   61.512   17.223   76.798   33.741   56.126   20.028   76.304   17.999   65.690   12.668 10.61368 22.01051 
1 1 1    2   24   19 o   60.672   10.076   47.422   14.730   47.175   24.847   47.555   18.291   60.050   16.197   60.368   12.543 -0.3177261 20.48608 
1 1 1    2   24   20 o  118.501   8.6275  176.955   25.355  189.565   38.484  167.282   33.704  122.026   12.821  114.704   11.942 7.321655 17.52084 
1 1 1    2   24   21 o  204.920   11.082  529.369   56.500  632.780  102.875  484.703   67.610  222.246   18.710  195.504   13.940 26.74220 23.33238 
1 1 1    2   24   22 o  216.416   11.581  590.865   62.360  559.094   77.663  648.519  104.621  209.782   14.922  224.931   18.798 -15.14871 24.00117 
1 1 1    2   24   23 f  167.568   9.3873  353.468   39.123  393.344   67.404  333.209   48.044  175.614   15.530  162.265   11.941 13.34836 19.58998 
1 1 1    2   24   24 o   62.299   9.6378   49.852   14.510   84.841   22.093   23.314   19.241   81.392   11.164   44.234   14.805 37.15761 18.54278 
1 1 1    2   24   25 o  257.345   10.749  832.592   69.074  813.859   97.555  851.425   97.816  253.043   15.513  258.930   15.194 -5.886536 21.71484 
1 1 1    2   24   26 o  160.154   9.3292  323.013   37.149  346.050   52.766  300.373   52.310  165.164   12.896  153.628   13.782 11.53606 18.87433 
1 1 1    2   24   27 f  135.232   12.954  232.723   43.210  266.266   56.832  186.764   66.523  144.049   16.073  118.456   23.319 25.59314 28.32155 
1 1 1    2   24   28 o   41.921   10.265   22.963   10.660   26.908   16.048   19.848   14.260   45.717   13.274   40.023   12.703 5.694035 18.37271 
1 1 1    2   24   29 o   64.515   12.004   54.084   18.627   54.062   39.769   54.090   21.082   65.699   21.252   64.270   13.562 1.428596 25.21084 
1 1 1    2   24   30 o  170.558   10.985  367.429   46.538  236.290   83.078  427.399   56.181  132.740   25.993  183.747   12.315 -51.00682 28.76292 
1 1 1    2   24   31 o   86.603   10.213   95.540   21.661  -0.0655   43.301  127.451   25.016   47.757   20.427  100.206   10.137 -52.44952 22.80405 
1 1 1    2   24   41 o   68.544   13.030   61.913   21.487   32.232   31.494   87.762   29.390   52.831   18.875   81.389   15.014 -28.55840 24.11824 
1 1 1    2   24   42 o  130.447   9.1349  216.293   29.569  240.348   57.417  207.611   34.495  134.547   17.503  127.295   10.958 7.252518 20.65086 
1 1 1    2   24   43 o   84.307   10.760   91.940   22.137   0.0000   0.0000   91.940   22.137  ?   ?    84.307   10.760 0.000000 10.76035 
1 1 1    2   25    0 o   97.972   10.924  122.632   26.270  143.022   40.191  107.424   34.711  104.703   15.869   90.437   15.953 14.26597 22.50154 
1 1 1    2   25    1 o  332.384   13.498  1402.01  112.039  1358.34  191.325  1424.80  138.217  320.840   24.055  333.708   16.586 -12.86871 29.21894 
1 1 1    2   25    2 o  130.853   17.257  222.726   55.013   0.0000   0.0000  222.726   55.013  ?   ?   130.853   17.257 0.000000 17.25666 
1 1 1    2   25    3 o  246.071   12.041  765.060   73.992  905.922  126.367  691.570   91.275  264.717   19.248  232.458   15.818 32.25891 24.91352 
1 1 1    2   25    4 o  111.038   10.556  156.657   28.919  257.215   47.288   96.579   36.551  141.899   13.508   85.404   17.719 56.49513 22.28074 
1 1 1    2   25    5 o  230.971   11.296  672.476   65.150  727.126  111.049  643.794   80.450  237.474   18.882  224.889   14.401 12.58556 23.74715 
1 1 1    2   25    6 o  298.285   12.954  1124.30   96.494  1174.03  165.935  1098.89  118.610  300.603   22.263  293.474   16.248 7.129852 27.56184 
1 1 1    2   25    7 o  249.861   15.312  794.886   95.075  1037.74  133.390  544.101  135.550  284.242   18.900  201.967   27.599 82.27496 33.44995 
1 1 1    2   25    8 o  201.380   10.616  511.511   53.198  614.410   91.402  458.796   65.421  219.179   16.828  189.995   13.885 29.18356 21.81682 
1 1 1    2   25    9 o  321.763   13.527  1307.77  108.689  1452.60  188.109  1235.19  133.167  334.974   22.620  311.154   17.205 23.81995 28.42021 
1 1 1    2   25   10 o  234.845   11.090  693.867   65.036  908.396  112.969  587.521   79.539  266.827   17.043  214.952   14.910 51.87515 22.64470 
1 1 1    2   25   11 o   92.451   9.7294  108.495   22.125  135.173   39.222   96.044   26.795  102.119   15.898   86.369   12.812 15.74966 20.41781 
1 1 1    2   25   12 o  188.665   17.970  456.770   83.640   0.0000   0.0000  456.770   83.640  ?   ?   188.665   17.970 0.000000 17.97022 
1 1 1    2   25   13 o  153.874   9.6937  298.414   37.058  372.341   67.137  266.021   44.441  170.716   15.933  144.797   12.411 25.91920 20.19580 
1 1 1    2   25   14 o   83.946   9.7883   89.656   20.134  142.693   39.087   70.502   23.490  105.131   15.340   73.677   13.255 31.45447 20.27341 
1 1 1    2   25   15 o   94.957   9.6116  114.325   22.478  141.343   42.502  103.835   26.484  104.272   16.901   90.029   12.085 14.24286 20.77768 
1 1 1    2   25   16 o  224.622   10.750  634.207   60.300  743.964  106.231  582.031   73.244  241.282   17.756  214.303   13.759 26.97951 22.46293 
1 1 1    2   25   17 o  118.745   12.444  179.538   36.351  224.347   51.714  135.773   51.108  132.140   15.998  101.233   20.909 30.90674 26.32724 
1 1 1    2   25   18 o   52.207   11.919   35.673   15.196   38.130   30.360   34.851   17.554   56.032   18.593   51.613   13.474 4.418808 22.96231 
1 1 1    2   25   19 o  256.628   11.838  829.187   75.866  910.050  132.356  789.620   92.585  266.088   20.067  249.390   14.935 16.69821 25.01472 
1 1 1    2   25   20 o  143.861   8.8698  260.614   31.709  249.346   47.312  269.802   42.725  139.872   13.722  145.914   11.827 -6.042053 18.11573 
1 1 1    2   25   21 o   70.417   9.3740   63.325   16.074   74.948   27.186   57.078   19.931   75.687   14.914   66.233   12.509 9.453949 19.46547 
1 1 1    2   25   22 o  144.100   13.698  264.557   48.699   0.0000   0.0000  264.557   48.699  ?   ?   144.100   13.698 0.000000 13.69803 
1 1 1    2   25   23 o  157.992   20.389  324.586   78.564  324.586   78.564   0.0000   0.0000  157.992   20.389  ?   ?  0.000000 20.38887 
1 1 1    2   25   24 o  290.614   10.703  1062.14   77.675  1058.06  110.205  1066.17  109.497  288.574   15.348  289.734   15.187 -1.159851 21.59175 
1 1 1    2   25   25 o  129.595   8.1007  211.387   26.084  227.967   37.807  196.327   36.034  134.097   11.398  124.312   11.747 9.785461 16.36810 
1 1 1    2   25   26 o   77.284   8.2478   75.742   15.672  107.337   23.982   52.192   20.704   91.781   10.662   63.105   13.544 28.67570 17.23699 
1 1 1    2   25   27 o  163.459   9.3537  336.566   38.022  315.470   54.000  357.308   53.546  157.391   13.881  167.794   12.877 -10.40298 18.93458 
1 1 1    2   25   28 o  172.480   14.207  378.730   60.646  482.506   81.868  252.525   90.282  194.058   17.067  136.784   27.387 57.27422 32.26950 
1 1 1    2   25   29 o  187.109   8.6546  439.247   40.438  452.852   57.326  425.772   57.051  189.153   12.201  183.316   12.538 5.836624 17.49503 
1 1 1    2   25   30 o  112.788   11.975  162.071   33.213   79.742   63.429  193.170   38.984   79.996   26.881  123.070   12.875 -43.07379 29.80545 
1 1 1    2   25   31 o  174.391   11.148  384.366   48.294  275.191   87.441  432.286   57.931  143.581   25.312  184.678   12.637 -41.09666 28.29180 
1 1 1    2   25   32 o  230.609   13.792  674.823   79.058   0.0000   0.0000  674.823   79.058  ?   ?   230.609   13.792 0.000000 13.79167 
1 1 1    2   26    0 o   56.289   13.408   41.880   18.577   56.862   26.733   27.887   25.834   65.326   16.409   49.036   17.134 16.29063 23.72416 
1 1 1    2   26    1 o   62.476   12.910   51.308   19.475   72.779   28.671   32.914   26.536   74.054   15.973   51.921   17.387 22.13280 23.61048 
1 1 1    2   26    2 o   66.735   12.111   58.072   19.440   48.446   28.802   66.127   26.347   60.768   17.822   70.665   15.368 -9.896294 23.53318 
1 1 1    2   26    3 o  229.448   11.985  667.851   68.435  819.138  116.218  587.545   84.672  251.484   18.639  213.852   15.971 37.63132 24.54502 
1 1 1    2   26    4 o  343.879   25.738  1571.08  219.418   0.0000   0.0000  1571.08  219.418  ?   ?   343.879   25.738 0.000000 25.73805 
1 1 1    2   26    5 o   48.621   13.013   30.981   16.111   56.028   24.522   11.958   21.371   65.059   15.343   38.928   15.200 26.13087 21.59739 
1 1 1    2   26    6 o  306.370   13.082  1188.68  100.083  1145.40  171.810  1210.90  123.131  295.359   23.488  307.727   16.079 -12.36823 28.46462 
1 1 1    2   26    7 o  249.335   11.915  785.095   74.184  1079.89  128.164  636.563   90.973  289.914   17.789  222.804   16.468 67.11005 24.24094 
1 1 1    2   26    8 o  252.484   15.034  812.667   94.361  915.397  132.120  705.706  134.813  265.955   20.041  231.713   23.629 34.24211 30.98345 
1 1 1    2   26    9 o  160.788   12.827  328.797   51.072  373.765   70.672  279.641   73.890  170.431   16.825  145.952   20.867 24.47942 26.80521 
1 1 1    2   26   10 o  233.123   11.280  684.897   65.665  778.030  113.727  638.322   80.425  245.848   18.664  223.948   14.458 21.90001 23.60889 
1 1 1    2   26   11 o  202.958   10.430  519.659   52.682  635.298   91.975  463.196   64.270  222.783   16.653  190.890   13.571 31.89294 21.48236 
1 1 1    2   26   12 o  122.317   9.5768  189.137   29.018  303.448   52.527  138.924   34.813  154.283   13.779  103.928   13.752 50.35440 19.46705 
1 1 1    2   26   13 o  270.112   11.834  919.772   79.826  1128.01  139.760  818.946   97.249  296.350   18.985  253.586   15.431 42.76360 24.46520 
1 1 1    2   26   14 o  261.682   21.055  885.904  136.426   0.0000   0.0000  885.904  136.426  ?   ?   261.682   21.055 0.000000 21.05548 
1 1 1    2   26   15 o  304.612   12.575  1170.90   95.657  1404.01  167.294  1057.67  116.599  330.157   20.391  288.051   16.276 42.10666 26.09042 
1 1 1    2   26   16 o  124.564   8.5264  195.576   26.363  438.563   50.310  103.601   30.953  186.371   10.857   89.401   14.350 96.96992 17.99423 
1 1 1    2   26   17 o  258.063   11.355  838.686   73.176  1022.71  128.265  749.888   89.098  282.509   18.279  242.878   14.760 39.63118 23.49464 
1 1 1    2   26   18 o  213.793   10.482  574.890   55.963  699.567   98.370  515.228   68.048  233.889   16.958  201.453   13.607 32.43619 21.74154 
1 1 1    2   26   19 o  195.560   13.435  485.454   65.210  551.414   91.577  417.606   92.878  207.232   17.871  179.090   21.178 28.14249 27.71037 
1 1 1    2   26   20 o   64.925   10.720   54.408   16.774   88.939   30.969   40.071   19.955   82.427   15.617   55.251   14.339 27.17561 21.20109 
1 1 1    2   26   21 o   93.330   11.969  111.542   27.252   0.0000   0.0000  111.542   27.252  ?   ?    93.330   11.969 0.000000 11.96869 
1 1 1    2   26   22 o  242.542   10.777  740.229   65.272  759.366   93.889  722.328   90.805  244.190   15.477  238.176   15.349 6.014175 21.79740 
1 1 1    2   26   23 o  110.370   9.4643  154.119   25.833  231.099   39.805   98.102   33.955  134.889   11.940   86.516   16.315 48.37233 20.21747 
1 1 1    2   26   24 o   52.969   14.031   36.756   18.854   27.071   51.137   38.279   20.283   59.232   23.395   54.086   14.654 5.146141 27.60547 
1 1 1    2   26   25 o  263.267   11.906  873.690   78.271  909.172   97.476  809.284  131.327  267.527   14.646  249.987   21.238 17.54007 25.79875 
1 1 1    2   26   26 o  200.856   9.1020  506.545   45.653  536.609   65.087  477.431   64.052  205.804   12.727  193.946   13.306 11.85768 18.41243 
1 1 1    2   26   27 o  424.769   15.033  2287.26  159.457  2172.62  225.470  2401.97  225.543  409.879   22.110  432.269   20.894 -22.38995 30.42079 
1 1 1    2   26   28 o  340.315   12.896  1462.34  109.595  1436.21  155.015  1488.45  154.967  334.767   18.617  340.982   18.266 -6.215149 26.08094 
1 1 1    2   26   29 o  312.932   18.165  1254.07  141.342  1546.81  197.402  946.101  202.470  345.105   23.038  265.190   31.169 79.91434 38.75884 
1 1 1    2   26   30 o   96.225   8.5708  117.101   20.379  157.316   29.517   80.467   28.171  111.299   10.754   78.428   14.930 32.87132 18.39947 
1 1 1    2   26   31 o  129.284   12.112  212.619   38.648   0.0000   0.0000  212.619   38.648  ?   ?   129.284   12.112 0.000000 12.11210 
1 1 1    2   26   32 o  141.210   13.162  254.143   45.876   0.0000   0.0000  254.143   45.876  ?   ?   141.210   13.162 0.000000 13.16155 
1 1 1    2   26   33 o   97.975   9.7262  121.848   23.482   0.0000   0.0000  121.848   23.482  ?   ?    97.975   9.7262 0.000000 9.726219 
1 1 1    2   27    0 o  133.803   13.547  230.374   44.641  228.133   55.600  234.438   74.884  131.942   17.291  131.224   23.725 0.7178497 29.35775 
1 1 1    2   27    1 o   92.468   11.376  109.832   25.714  147.024   39.095   81.478   34.136  106.189   15.175   77.943   17.914 28.24590 23.47717 
1 1 1    2   27    2 o  189.528   11.089  455.867   52.255  522.334   86.830  418.125   65.431  200.596   17.509  180.392   14.651 20.20439 22.83076 
1 1 1    2   27    3 o  322.036   13.188  1318.08  106.058  1192.50  180.843  1383.92  130.940  299.179   24.419  328.643   15.955 -29.46341 29.16907 
1 1 1    2   27    4 o  108.935   10.367  151.061   27.862  152.370   44.437  150.213   35.766  107.706   17.093  107.898   13.575 -0.1918030 21.82724 
1 1 1    2   27    5 o  165.378   17.780  355.525   72.274   0.0000   0.0000  355.525   72.274  ?   ?   165.378   17.780 0.000000 17.77970 
1 1 1    2   27    6 o  278.937   12.611  985.896   87.843  1069.61  150.922  943.007  108.028  286.012   21.283  271.148   16.026 14.86343 26.64193 
1 1 1    2   27    7 o  231.923   11.295  679.350   65.417  651.785  111.654  693.758   80.722  223.568   20.218  233.288   13.920 -9.719772 24.54648 
1 1 1    2   27    8 o  315.408   13.474  1261.93  106.124  1325.69  183.269  1229.77  130.169  317.651   23.266  309.548   16.903 8.103485 28.75804 
1 1 1    2   27    9 o  239.739   11.760  726.104   70.407  733.807  121.494  722.209   86.392  237.317   20.709  237.920   14.612 -0.6026459 25.34451 
1 1 1    2   27   10 o   46.076   15.690   25.092   21.612   21.681   28.235   29.918   33.583   47.190   17.705   53.083   19.419 -5.892757 26.27845 
1 1 1    2   27   11 o  231.618   10.965  676.373   63.420  916.461  110.973  559.930   77.283  267.424   16.701  209.392   14.877 58.03198 22.36616 
1 1 1    2   27   12 o  318.609   13.341  1285.41  106.141  1447.66  184.817  1205.56  129.654  333.297   22.335  306.790   16.990 26.50723 28.06235 
1 1 1    2   27   13 o  190.239   10.010  456.639   47.385  732.250   84.641  330.822   57.187  239.891   14.192  160.870   14.387 79.02049 20.20932 
1 1 1    2   27   14 o  275.471   12.116  958.162   83.347  1127.72  146.165  876.461  101.459  295.453   19.927  262.080   15.573 33.37296 25.29036 
1 1 1    2   27   15 o  210.238   18.868  570.886   98.004   0.0000   0.0000  570.886   98.004  ?   ?   210.238   18.868 0.000000 18.86817 
1 1 1    2   27   16 o  129.227   8.8427  210.693   28.364  388.568   54.241  143.747   33.276  174.960   12.497  105.899   12.846 69.06145 17.92211 
1 1 1    2   27   17 o  167.024   9.7403  351.936   40.450  438.952   72.232  312.181   48.823  185.166   15.772  156.719   12.581 28.44731 20.17504 
1 1 1    2   27   18 o   82.170   9.9955   86.148   20.088  141.888   38.854   65.813   23.468  104.656   15.320   70.944   13.743 33.71183 20.58107 
1 1 1    2   27   19 o   51.541   12.566   34.878   16.027   53.416   33.325   29.299   18.280   64.154   19.259   47.786   14.246 16.36781 23.95562 
1 1 1    2   27   20 o  207.179   13.887  545.781   71.432  599.404  100.099  490.136  101.969  215.601   18.780  193.860   21.421 21.74040 28.48758 
1 1 1    2   27   21 o  229.710   14.502  671.407   82.759  729.123  115.159  609.765  119.012  237.635   19.580  216.074   22.381 21.56038 29.73733 
1 1 1    2   27   22 o  190.054   10.481  455.927   49.550  692.155   73.720  261.253   66.922  233.761   12.676  141.520   19.451 92.24081 23.21681 
1 1 1    2   27   23 o  137.706   10.069  239.744   34.384  295.366   58.785  210.818   42.391  151.683   15.749  128.439   13.415 23.24406 20.68794 
1 1 1    2   27   24 o  174.698   9.7217  384.813   42.243  438.426   72.144  356.840   52.111  185.108   15.757  167.658   12.537 17.45071 20.13637 
1 1 1    2   27   25 o  132.675   8.9814  222.051   29.581  287.149   50.528  188.105   36.488  150.062   13.633  121.507   12.190 28.55502 18.28762 
1 1 1    2   27   26 o  253.321   16.054  819.049  101.031  702.155  149.580  917.114  137.005  230.155   26.510  266.218   20.773 -36.06305 33.67949 
1 1 1    2   27   27 o  280.658   11.407  992.637   79.946  1028.64  113.807  957.566  112.328  283.973   16.115  273.814   16.505 10.15912 23.06761 
1 1 1    2   27   28 o  364.627   14.396  1684.67  131.084  2134.03  225.821  1456.31  160.982  405.658   22.379  336.586   19.233 69.07181 29.50764 
1 1 1    2   27   29 o   59.266   10.567   45.511   15.066   79.927   24.887   25.602   18.929   78.494   13.162   45.512   14.656 32.98269 19.69858 
1 1 1    2   27   30 o  211.154   9.6086  560.455   50.665  646.383   84.120  511.539   63.469  225.195   15.045  200.836   12.721 24.35872 19.70230 
1 1 1    2   27   31 o  190.881   13.994  463.910   66.242  509.815   88.314  404.866  100.160  198.942   17.971  175.155   23.491 23.78648 29.57681 
1 1 1    2   27   32 o   79.950   12.092   82.450   23.388   0.0000   0.0000   82.450   23.388  ?   ?    79.950   12.092 0.000000 12.09201 
1 1 1    2   27   33 o  140.403   12.040  250.721   41.806   0.0000   0.0000  250.721   41.806  ?   ?   140.403   12.040 0.000000 12.04032 
1 1 1    2   27   34 o  253.776   20.724  837.918  130.184   0.0000   0.0000  837.918  130.184  ?   ?   253.776   20.724 0.000000 20.72361 
1 1 1    2   28    0 o  103.733   11.233  137.989   28.633  115.194   43.459  155.474   38.062   92.318   19.464  109.350   14.279 -17.03214 24.14044 
1 1 1    2   28    1 o  254.401   12.140  822.439   77.125  818.155  129.921  824.770   95.838  248.632   21.125  253.079   15.236 -4.446884 26.04625 
1 1 1    2   28    2 o   68.645   16.709   63.076   28.373   76.701   33.250   26.578   54.418   75.537   17.901   59.535   23.928 16.00152 29.88260 
1 1 1    2   28    3 o  220.089   11.429  615.277   62.598  628.128  105.126  608.217   77.917  218.934   19.431  217.732   14.412 1.201645 24.19190 
1 1 1    2   28    4 o   81.640   11.585   86.039   22.955   81.644   35.853   89.093   29.883   77.900   18.673   82.244   15.107 -4.343765 24.01919 
1 1 1    2   28    5 o  136.281   10.282  235.776   34.733  221.546   57.213  244.081   43.708  129.842   18.141  138.055   12.825 -8.213028 22.21636 
1 1 1    2   28    6 o  202.896   11.221  522.197   56.631  690.755   96.482  433.605   69.947  231.304   16.819  183.525   15.405 47.77907 22.80766 
1 1 1    2   28    7 o  140.418   17.279  256.964   59.311   0.0000   0.0000  256.964   59.311  ?   ?   140.418   17.279 0.000000 17.27917 
1 1 1    2   28    8 o  141.296   10.377  253.193   36.357  397.475   62.774  180.364   44.599  176.102   14.401  117.873   15.530 58.22919 21.17895 
1 1 1    2   28    9 o  301.268   13.235  1152.04   99.566  1340.16  172.575  1058.18  121.901  319.905   21.731  286.707   17.104 33.19830 27.65512 
1 1 1    2   28   10 o  351.084   14.474  1568.76  126.900  1649.00  219.910  1528.71  155.381  352.535   25.145  344.286   18.137 8.249512 31.00336 
1 1 1    2   28   11 o  433.920   17.064  2412.62  184.900  2638.80  320.807  2300.11  226.262  442.281   29.211  419.938   21.650 22.34320 36.35945 
1 1 1    2   28   12 o  150.695   12.749  289.561   47.526  460.592   67.558  121.996   66.870  189.836   14.357   94.505   26.994 95.33083 30.57433 
1 1 1    2   28   13 o   65.479   11.822   55.789   18.619  132.046   37.384   30.633   21.472  100.742   15.345   49.311   15.581 51.43173 21.86862 
1 1 1    2   28   14 o  241.500   11.503  736.375   69.369  894.047  122.552  662.042   84.146  263.077   18.778  227.680   14.882 35.39615 23.95998 
1 1 1    2   28   15 o   83.817   10.489   89.863   21.474  163.689   42.533   64.605   24.878  112.365   15.577   70.041   14.693 42.32394 21.41288 
1 1 1    2   28   16 o  245.767   11.074  761.768   67.965  895.570  119.744  698.177   82.551  263.632   18.302  234.132   14.186 29.50031 23.15640 
1 1 1    2   28   17 o   66.820   16.705   59.202   27.799   0.0000   0.0000   59.202   27.799  ?   ?    66.820   16.705 0.000000 16.70457 
1 1 1    2   28   18 o   83.678   10.003   89.351   20.489  152.142   40.500   67.754   23.752  108.343   15.403   71.973   13.716 36.37035 20.62492 
1 1 1    2   28   19 o  119.415   9.4171  180.389   27.854  270.046   51.366  143.043   33.151  145.211   14.353  105.601   12.835 39.60964 19.25500 
1 1 1    2   28   20 o  125.269   10.969  199.254   33.966   0.0000   0.0000  199.254   33.966  ?   ?   125.269   10.969 0.000000 10.96850 
1 1 1    2   28   21 o   85.076   20.550   96.928   43.167   96.928   43.167   0.0000   0.0000   85.076   20.550  ?   ?  0.000000 20.54969 
1 1 1    2   28   22 o  276.703   15.916  977.741  109.514  996.618  151.470  957.065  158.523  276.551   22.118  270.126   23.741 6.425354 32.44797 
1 1 1    2   28   23 o  187.881   9.3254  443.688   43.752  672.458   76.131  330.867   53.463  230.143   13.304  161.143   13.408 69.00000 18.88783 
1 1 1    2   28   24 o  233.999   11.558  690.640   67.538  869.016  116.467  600.268   82.900  260.028   18.048  216.789   15.414 43.23953 23.73418 
1 1 1    2   28   25 o   44.445   13.240   25.308   15.794  -4.7840   30.618   36.218   18.437   38.751   16.878   52.537   13.854 -13.78605 21.83597 
1 1 1    2   28   26 o  154.618   9.3503  301.551   35.933  407.128   61.026  245.523   44.456  178.785   13.775  138.761   12.980 40.02307 18.92728 
1 1 1    2   28   27 o  226.129   19.323  660.898  108.067   0.0000   0.0000  660.898  108.067  ?   ?   226.129   19.323 0.000000 19.32306 
1 1 1    2   28   28 o  131.592   10.034  219.111   32.724  314.601   49.159  143.125   43.852  157.292   12.622  104.560   17.407 52.73218 21.50126 
1 1 1    2   28   29 o  450.872   16.710  2592.93  188.135  3408.91  325.125  2182.16  230.678  509.190   25.652  409.473   22.648 99.71671 34.21871 
1 1 1    2   28   30 o  207.600   9.2659  541.729   48.036  772.438   79.445  408.776   60.309  246.791   12.936  179.159   13.581 67.63133 18.75600 
1 1 1    2   28   31 o  152.944   9.1216  295.034   34.680  473.054   56.093  184.885   44.123  193.254   11.678  119.709   15.096 73.54534 19.08553 
1 1 1    2   28   32 o  218.456   16.132  611.772   87.379  797.686  118.823  392.842  128.942  248.274   19.317  168.271   31.852 80.00243 37.25202 
1 1 1    2   28   33 o  134.372   11.290  229.493   37.534   0.0000   0.0000  229.493   37.534  ?   ?   134.372   11.290 0.000000 11.29039 
1 1 1    2   28   34 o  182.414   13.744  425.018   62.145   0.0000   0.0000  425.018   62.145  ?   ?   182.414   13.744 0.000000 13.74358 
1 1 1    2   29    0 o  160.287   10.848  327.503   43.164  298.800   68.442  346.458   55.620  150.090   18.664  163.898   13.716 -13.80705 23.16150 
1 1 1    2   29    1 o  215.968   11.424  594.130   61.393  552.263  101.378  618.376   77.148  203.990   20.165  219.190   14.171 -15.19980 24.64643 
1 1 1    2   29    2 o  124.562   10.879  198.102   33.500  189.701   52.583  203.840   43.461  119.562   18.185  125.443   14.120 -5.881042 23.02299 
1 1 1    2   29    3 o  194.410   13.495  484.706   65.110  433.899   86.077  552.651   99.541  181.398   19.299  204.704   19.717 -23.30580 27.58940 
1 1 1    2   29    4 o  140.033   10.649  249.529   36.958  312.734   60.367  211.637   46.742  155.235   15.792  127.701   14.940 27.53370 21.73937 
1 1 1    2   29    5 o  277.358   12.588  978.138   87.186  1026.30  148.873  952.997  107.561  278.592   21.567  271.888   15.912 6.703918 26.80149 
1 1 1    2   29    6 o  200.846   11.338  512.490   56.633  576.835   96.481  478.666   69.952  210.183   18.573  192.980   14.624 17.20303 23.63962 
1 1 1    2   29    7 o  337.745   14.270  1455.96  120.355  1525.75  207.722  1420.69  147.668  337.676   24.808  331.124   17.925 6.552246 30.60603 
1 1 1    2   29    8 o  216.918   12.532  599.204   67.596  805.479   98.408  414.930   93.012  250.216   15.831  176.899   21.497 73.31712 26.69736 
1 1 1    2   29    9 o  249.682   15.026  799.249   93.252   0.0000   0.0000  799.249   93.252  ?   ?   249.682   15.026 0.000000 15.02617 
1 1 1    2   29   10 o  164.415   10.349  342.478   42.275  436.009   74.044  297.244   51.492  183.752   16.306  152.278   13.687 31.47328 21.28900 
1 1 1    2   29   11 o  241.154   11.844  736.173   71.324  884.418  124.651  664.013   86.967  260.771   19.279  227.478   15.400 33.29323 24.67464 
1 1 1    2   29   12 o  241.914   11.798  740.524   71.274  1012.59  125.356  610.553   86.642  279.894   18.031  217.898   16.036 61.99600 24.12991 
1 1 1    2   29   13 o  184.247   13.068  432.745   59.735  640.671   85.477  234.261   83.514  223.532   15.407  130.701   26.495 92.83102 30.64863 
1 1 1    2   29   14 o  350.315   14.150  1560.70  123.781  1874.07  216.710  1408.97  150.800  377.601   23.093  330.345   18.353 47.25589 29.49787 
1 1 1    2   29   15 o  151.081   9.7050  288.591   36.421  432.508   66.720  227.503   43.469  183.780   14.660  133.303   13.233 50.47664 19.74930 
1 1 1    2   29   16 o  134.195   9.7444  227.920   32.432  356.529   60.233  175.410   38.487  166.796   14.608  116.858   13.433 49.93798 19.84568 
1 1 1    2   29   17 o  412.823   16.118  2176.50  166.158  2472.46  289.374  2030.92  202.949  430.672   27.044  395.503   20.620 35.16953 34.00845 
1 1 1    2   29   18 o  238.931   20.204  742.664  119.416   0.0000   0.0000  742.664  119.416  ?   ?   238.931   20.204 0.000000 20.20361 
1 1 1    2   29   19 o  306.461   23.497  1234.11  178.451   0.0000   0.0000  1234.11  178.451  ?   ?   306.461   23.497 0.000000 23.49699 
1 1 1    2   29   20 o   85.792   21.768   99.152   46.710   99.152   46.710   0.0000   0.0000   85.792   21.768  ?   ?  0.000000 21.76776 
1 1 1    2   29   21 o  169.345   9.9707  362.258   41.979  481.211   73.861  305.500   51.020  193.838   15.385  154.730   13.335 39.10843 20.35976 
1 1 1    2   29   22 o  150.416   10.492  286.408   39.163  340.775   68.734  260.275   47.655  162.388   17.212  142.692   13.536 19.69560 21.89717 
1 1 1    2   29   23 o  371.769   19.433  1783.52  179.786  2058.48  252.862  1502.43  255.672  394.697   25.797  332.805   31.125 61.89233 40.42601 
1 1 1    2   29   24 o  279.129   12.599  985.409   87.818  1331.84  151.487  810.060  107.775  321.411   18.958  251.115   17.292 70.29591 25.65969 
1 1 1    2   29   25 o  277.965   12.494  976.967   86.724  1134.96  149.106  896.196  106.612  295.949   20.298  264.633   16.211 31.31656 25.97728 
1 1 1    2   29   26 o  368.296   13.750  1719.66  126.462  2048.42  218.182  1553.33  155.188  396.685   22.113  347.769   17.931 48.91605 28.46946 
1 1 1    2   29   27 o   92.679   9.0371  108.965   20.649  201.501   37.690   69.279   24.683  125.715   12.158   72.710   14.103 53.00459 18.61992 
1 1 1    2   29   28 o  223.187   12.465  631.790   69.196   0.0000   0.0000  631.790   69.196  ?   ?   223.187   12.465 0.000000 12.46529 
1 1 1    2   29   29 o  375.735   27.294  1879.84  254.342   0.0000   0.0000  1879.84  254.342  ?   ?   375.735   27.294 0.000000 27.29355 
1 1 1    2   29   30 o   71.572   9.6349   65.596   16.783  148.695   28.988   23.698   20.583  108.055   10.892   44.859   15.312 63.19540 18.79027 
1 1 1    2   29   31 o  124.427   9.0390  195.696   27.894  265.792   43.975  148.505   36.082  144.442   12.309  107.335   13.780 37.10746 18.47690 
1 1 1    2   29   32 o  242.153   10.927  740.167   66.074  933.108  110.188  631.836   82.566  269.585   16.446  222.210   14.967 47.37498 22.23703 
1 1 1    2   29   33 o  150.531   16.109  293.098   59.615  440.016   77.138   75.210   93.940  184.455   16.936   83.709   32.088 100.7462 36.28279 
1 1 1    2   29   34 o  226.059   14.852  655.468   83.376   0.0000   0.0000  655.468   83.376  ?   ?   226.059   14.852 0.000000 14.85223 
1 1 1    2   29   35 o  139.667   13.064  250.382   45.033   0.0000   0.0000  250.382   45.033  ?   ?   139.667   13.064 0.000000 13.06354 
1 1 1    2   30    0 o   65.255   15.046   57.172   24.017   73.158   34.725   42.513   33.253   73.118   18.885   57.873   19.463 15.24537 27.11945 
1 1 1    2   30    1 o   89.065   17.660  106.930   37.891   0.0000   0.0000  106.930   37.891  ?   ?    89.065   17.660 0.000000 17.66032 
1 1 1    2   30    2 o  111.243   11.507  159.053   31.503  147.774   48.861  167.079   41.214  104.528   19.434  112.968   14.979 -8.440041 24.53670 
1 1 1    2   30    3 o  135.613   10.983  234.921   36.874  197.893   58.995  258.663   47.239  121.146   20.213  141.547   13.529 -20.40079 24.32291 
1 1 1    2   30    4 o  121.712   11.172  189.534   33.577  216.197   54.590  173.309   42.585  127.950   17.547  115.162   15.178 12.78815 23.20076 
1 1 1    2   30    5 o  163.250   13.864  343.211   55.982  360.880   74.448  320.220   84.924  165.610   18.308  153.773   22.807 11.83670 29.24620 
1 1 1    2   30    6 o  120.135   10.889  184.276   32.312  217.447   53.881  165.647   40.379  128.620   17.207  112.817   14.681 15.80372 22.61843 
1 1 1    2   30    7 f  144.323   10.502  264.843   37.591  243.125   63.280  276.686   46.729  135.399   19.258  146.882   12.870 -11.48250 23.16255 
1 1 1    2   30    8 o  102.882   10.842  135.384   27.436  160.945   46.861  122.052   33.843  110.346   17.597   96.718   14.456 13.62879 22.77349 
1 1 1    2   30    9 o  285.080   12.965  1034.02   92.295  1092.17  159.949  1005.00  113.006  286.925   22.504  279.122   16.283 7.803131 27.77724 
1 1 1    2   30   10 o   69.295   18.157   64.373   31.799   0.0000   0.0000   64.373   31.799  ?   ?    69.295   18.157 0.000000 18.15738 
1 1 1    2   30   11 o  109.747   10.894  153.736   29.462  230.714   53.754  120.683   35.224  133.069   16.533   96.046   15.192 37.02299 22.45260 
1 1 1    2   30   12 o  124.924   10.107  198.182   31.258  373.614   58.082  126.656   37.087  170.784   13.735   98.350   15.623 72.43382 20.80229 
1 1 1    2   30   13 o  112.544   10.644  161.354   29.558  286.210   56.096  113.362   34.778  148.900   15.304   92.985   15.525 55.91543 21.80001 
1 1 1    2   30   14 o  530.380   20.220  3656.29  267.799  4020.62  465.498  3476.06  327.405  534.740   35.054  510.391   25.771 24.34882 43.50779 
1 1 1    2   30   15 o  192.580   13.609  473.705   65.025  537.974   92.836  411.809   91.106  203.436   18.476  176.718   21.060 26.71808 28.01537 
1 1 1    2   30   16 o  214.167   11.055  580.939   58.924  656.019  104.774  546.208   71.261  224.691   18.847  206.802   13.879 17.88853 23.40636 
1 1 1    2   30   17 o  431.414   16.178  2381.55  174.290  3161.36  305.141  2003.95  212.335  488.261   25.111  391.359   21.814 96.90259 33.26273 
1 1 1    2   30   18 o  552.856   26.295  4062.63  363.023   0.0000   0.0000  4062.63  363.023  ?   ?   552.856   26.295 0.000000 26.29490 
1 1 1    2   30   19 o  235.023   14.991  706.599   87.522  864.581  122.906  544.074  124.661  258.156   19.203  201.590   25.322 56.56650 31.77970 
1 1 1    2   30   20 o   82.617   17.078   90.506   34.070   0.0000   0.0000   90.506   34.070  ?   ?    82.617   17.078 0.000000 17.07821 
1 1 1    2   30   21 o  107.889   10.236  147.984   27.247  217.429   51.082  120.369   32.212  129.526   16.143   96.448   13.765 33.07821 21.21528 
1 1 1    2   30   22 o  208.999   10.686  552.333   55.586  695.809   97.147  482.496   67.777  232.584   16.840  194.395   14.057 38.18898 21.93605 
1 1 1    2   30   23 f  272.166   11.321  935.383   76.943  1201.94  132.855  800.848   94.383  305.699   17.476  250.289   15.173 55.41019 23.14325 
1 1 1    2   30   24 o  271.939   11.501  934.108   78.102  1263.87  135.178  768.864   95.691  313.591   17.329  245.023   15.722 68.56761 23.39846 
1 1 1    2   30   25 o   75.939   18.367   76.999   34.449   84.719   40.865   58.039   64.041   79.439   20.472   72.476   26.767 6.963699 33.69847 
1 1 1    2   30   26 o  340.114   12.670  1464.81  107.612  1699.06  185.100  1345.20  132.261  361.669   20.580  324.025   16.399 37.64413 26.31465 
1 1 1    2   30   27 o  135.802   8.5128  232.637   28.723  375.421   50.107  162.758   35.054  171.967   11.738  112.693   12.676 59.27426 17.27633 
1 1 1    2   30   28 o   62.169   10.521   50.045   15.751  143.824   32.042   20.159   18.088  105.918   12.346   41.663   14.349 64.25513 18.92939 
1 1 1    2   30   29 o  174.460   9.6899  384.441   42.049  499.548   69.106  316.772   52.986  197.763   14.085  157.394   13.615 40.36903 19.58998 
1 1 1    2   30   30 o   93.299   15.697  114.024   35.274   0.0000   0.0000  114.024   35.274  ?   ?    93.299   15.697 0.000000 15.69720 
1 1 1    2   30   31 f  142.929   9.3551  258.336   33.206  386.760   52.941  175.045   42.635  174.310   12.240  116.217   15.044 58.09277 19.39433 
1 1 1    2   30   32 o  358.544   13.662  1636.26  122.319  2144.71  208.543  1369.60  151.026  405.080   20.685  324.866   18.695 80.21384 27.88162 
1 1 1    2   30   33 o   87.561   9.7833   97.912   21.026  104.751   32.137   92.794   27.802   89.376   14.925   84.323   13.671 5.052528 20.24039 
1 1 1    2   30   34 o  164.311   15.549  349.772   63.040  467.677   81.612  175.358   99.261  189.354   17.456  109.896   33.295 79.45815 37.59345 
1 1 1    2   30   35 o   81.885   12.798   87.433   25.312   0.0000   0.0000   87.433   25.312  ?   ?    81.885   12.798 0.000000 12.79759 
1 1 1    2   30   36 o  193.074   14.510  482.104   69.448   0.0000   0.0000  482.104   69.448  ?   ?   193.074   14.510 0.000000 14.51028 
1 1 1    2   31    0 o  192.804   11.237  477.060   53.870  367.930   86.336  546.635   68.936  163.294   21.710  205.208   13.528 -41.91341 25.58040 
1 1 1    2   31    1 o  130.917   11.460  220.614   37.088  217.768   57.745  222.612   48.387  126.987   18.776  130.079   15.182 -3.091461 24.14576 
1 1 1    2   31    2 o  160.021   18.995  342.957   74.423   0.0000   0.0000  342.957   74.423  ?   ?   160.021   18.995 0.000000 18.99512 
1 1 1    2   31    3 o  129.921   11.506  216.765   36.945  227.668   59.496  209.923   47.134  130.297   18.832  126.547   15.220 3.750496 24.21361 
1 1 1    2   31    4 o  223.283   11.890  637.484   66.055  640.703  111.241  635.730   82.096  218.828   20.599  221.488   14.930 -2.660370 25.44086 
1 1 1    2   31    5 o  192.694   11.334  473.771   54.298  472.249   91.544  474.598   67.442  188.379   19.754  191.710   14.188 -3.331604 24.32151 
1 1 1    2   31    6 o  157.066   14.241  319.063   55.250  359.723   74.044  267.986   82.988  165.084   18.267  139.071   24.806 26.01224 30.80637 
1 1 1    2   31    7 o  306.095   13.447  1198.22  102.787  1130.83  176.357  1232.90  126.493  288.562   24.712  308.270   16.492 -19.70758 29.70965 
1 1 1    2   31    8 o   77.149   13.191   77.971   24.499  107.594   42.375   63.097   30.026   89.061   19.586   68.459   17.498 20.60261 26.26361 
1 1 1    2   31    9 o  263.641   12.502  884.852   82.310  961.671  142.720  846.567  100.754  269.200   21.407  255.950   15.841 13.24991 26.63120 
1 1 1    2   31   10 o  180.995   10.990  416.483   49.437  410.003   86.592  419.617   60.215  175.991   20.062  180.887   13.426 -4.895523 24.14004 
1 1 1    2   31   11 f  166.709   11.021  353.453   45.622  479.564   81.158  295.190   55.163  192.008   17.105  151.147   14.805 40.86053 22.62263 
1 1 1    2   31   12 o   83.116   17.983   92.640   36.240   0.0000   0.0000   92.640   36.240  ?   ?    83.116   17.983 0.000000 17.98280 
1 1 1    2   31   13 o   50.836   14.731   33.774   19.784   97.465   42.857   16.527   22.302   84.768   20.476   41.601   15.709 43.16639 25.80750 
1 1 1    2   31   14 o  390.634   16.048  1959.14  156.548  1995.18  272.400  1941.37  191.293  381.978   28.769  385.547   19.937 -3.568878 35.00159 
1 1 1    2   31   15 o   94.293   11.728  114.304   27.020   89.834   52.866  122.957   31.436   81.464   24.213   97.477   13.258 -16.01267 27.60522 
1 1 1    2   31   16 o  315.029   17.012  1280.26  133.338  1333.40  189.240  1227.86  187.904  316.481   24.127  302.897   25.068 13.58398 34.79203 
1 1 1    2   31   17 o  201.771   13.727  520.471   68.752   0.0000   0.0000  520.471   68.752  ?   ?   201.771   13.727 0.000000 13.72669 
1 1 1    2   31   18 o  253.304   12.186  813.249   77.084  919.372  135.313  762.264   93.791  264.986   20.611  243.666   15.494 21.32019 25.78535 
1 1 1    2   31   19 o  119.789   10.819  182.690   32.015  266.164   59.712  149.014   37.927  143.010   17.057  107.200   14.543 35.81050 22.41545 
1 1 1    2   31   20 f  101.546   11.825  132.215   29.423  129.610   54.492  133.288   34.957   97.588   22.776  101.390   14.196 -3.801849 26.83794 
1 1 1    2   31   21 o  151.316   13.566  293.238   50.715   0.0000   0.0000  293.238   50.715  ?   ?   151.316   13.566 0.000000 13.56559 
1 1 1    2   31   22 o  128.490   16.750  215.000   52.468   0.0000   0.0000  215.000   52.468  ?   ?   128.490   16.750 0.000000 16.75038 
1 1 1    2   31   23 o   64.242   13.301   54.277   20.635  138.891   42.916   28.832   23.534  102.692   17.354   48.795   16.374 53.89637 23.85898 
1 1 1    2   31   24 o  155.580   10.626  306.886   41.036  382.993   70.513  267.909   50.462  172.131   16.611  144.437   14.173 27.69409 21.83548 
1 1 1    2   31   25 o  132.221   10.523  221.960   34.458  324.491   58.840  168.446   42.509  158.833   15.013  113.915   15.333 44.91704 21.45886 
1 1 1    2   31   26 o  110.194   16.978  159.137   45.218  204.487   54.840   62.824   79.919  124.834   18.122   77.497   29.622 47.33762 34.72574 
1 1 1    2   31   27 o  258.914   12.341  849.518   79.790  1018.71  135.903  760.522   98.566  279.820   19.572  243.136   16.329 36.68448 25.48943 
1 1 1    2   31   28 o  202.347   9.1548  515.518   46.259  757.231   77.920  383.958   57.486  243.940   12.836  173.324   13.385 70.61673 18.54562 
1 1 1    2   31   29 o  144.054   14.978  267.729   53.092  264.692   63.700  274.639   96.082  142.092   18.383  140.548   28.354 1.544464 33.79181 
1 1 1    2   31   30 o   87.767   10.487   98.646   22.530  143.751   37.394   72.943   28.229  105.160   14.636   74.125   15.737 31.03492 21.49106 
1 1 1    2   31   31 o  155.347   16.845  314.234   64.301   0.0000   0.0000  314.234   64.301  ?   ?   155.347   16.845 0.000000 16.84539 
1 1 1    2   31   32 o  100.243   9.6835  128.026   23.938  220.058   36.606   59.264   31.642  131.291   11.275   66.498   18.421 64.79299 21.59759 
1 1 1    2   31   33 o  238.034   12.137  722.786   71.905  938.074  119.239  599.758   90.139  268.026   17.918  214.590   16.959 53.43571 24.67154 
1 1 1    2   31   34 o   82.667   10.063   87.761   20.345  118.457   30.823   64.062   27.082   95.372   13.304   69.081   16.012 26.29120 20.81769 
1 1 1    2   31   35 o  140.043   15.235  256.211   52.421  331.257   65.161  118.544   88.255  158.771   16.684   91.790   31.691 66.98112 35.81501 
1 1 1    2   31   36 o   82.084   14.174   89.169   28.004   0.0000   0.0000   89.169   28.004  ?   ?    82.084   14.174 0.000000 14.17430 
1 1 1    2   31   37 o   90.570   19.139  112.767   41.931   0.0000   0.0000  112.767   41.931  ?   ?    90.570   19.139 0.000000 19.13893 
1 1 1    2   32    0 o   34.033   14.349   3.2527   20.848 -33.8841   29.425   40.682   29.541   30.067   14.307   55.404   18.339 -25.33648 23.25924 
1 1 1    2   32    1 o  110.143   12.386  158.479   33.477  164.766   51.964  154.018   43.770  108.819   19.854  106.555   17.022 2.263611 26.15241 
1 1 1    2   32    2 o   99.351   12.800  129.294   31.017  129.431   48.083  129.196   40.591   96.117   20.648   97.532   17.300 -1.415237 26.93756 
1 1 1    2   32    3 o   81.239   14.337   87.884   28.022   81.041   44.118   92.512   36.281   75.998   21.991   82.077   18.180 -6.078957 28.53309 
1 1 1    2   32    4 o   90.280   20.379  113.075   44.853   0.0000   0.0000  113.075   44.853  ?   ?    90.280   20.379 0.000000 20.37864 
1 1 1    2   32    5 o  104.680   12.245  142.032   31.403  157.103   51.981  133.371   39.407  107.101   20.176   99.995   16.346 7.105637 25.96674 
1 1 1    2   32    6 o  105.916   11.981  144.980   31.133  174.020   52.302  129.045   38.744  113.482   19.137   98.435   16.335 15.04694 25.16036 
1 1 1    2   32    7 o  195.454   11.446  488.109   55.624  353.650   94.542  559.294   68.790  159.809   24.470  208.462   13.284 -48.65350 27.84264 
1 1 1    2   32    8 o  344.348   18.524  1558.81  158.700  1617.49  222.781  1498.36  226.127  342.310   26.262  327.399   27.925 14.91092 38.33438 
1 1 1    2   32    9 o  205.385   11.437  537.992   58.428  504.344  101.458  554.688   71.468  193.923   21.302  207.545   13.869 -13.62219 25.41935 
1 1 1    2   32   10 o  139.075   11.360  247.297   39.107  246.394   69.726  247.711   47.236  134.976   21.401  138.415   13.852 -3.438812 25.49256 
1 1 1    2   32   11 o  240.394   12.193  737.523   72.958  780.724  128.041  716.752   88.781  242.051   21.404  235.586   15.172 6.464798 26.23551 
1 1 1    2   32   12 o  131.765   11.246  221.821   36.649  268.600   67.506  202.271   43.641  142.099   19.541  124.916   14.245 17.18314 24.18202 
1 1 1    2   32   13 o  103.775   17.847  143.280   44.581   0.0000   0.0000  143.280   44.581  ?   ?   103.775   17.847 0.000000 17.84661 
1 1 1    2   32   14 o  135.288   11.252  233.580   37.668  182.208   69.097  255.302   44.931  114.654   24.851  141.014   12.903 -26.36028 28.00047 
1 1 1    2   32   15 o  126.528   11.278  204.452   35.260  156.898   66.311  223.198   41.634  106.155   25.362  131.833   12.808 -25.67774 28.41259 
1 1 1    2   32   16 o   72.346   14.570   69.224   25.412  -6.2385   52.938   91.819   28.967   50.489   22.086   83.649   14.386 -33.15985 26.35807 
1 1 1    2   32   17 o  287.041   13.143  1049.12   94.205  1084.81  165.840  1032.12  114.466  285.081   23.505  282.821   16.276 2.259705 28.59016 
1 1 1    2   32   18 o  120.215   15.877  188.467   46.497  236.155   63.554  133.546   68.204  133.416   19.666   97.820   27.025 35.59618 33.42285 
1 1 1    2   32   19 o   69.984   13.929   64.555   23.487   85.501   49.150   58.356   26.737   79.464   23.274   66.121   16.297 13.34247 28.41295 
1 1 1    2   32   20 o  284.216   12.778  1026.64   90.691  1188.34  158.750  948.297  110.497  300.486   21.294  271.173   16.395 29.31354 26.87420 
1 1 1    2   32   21 o  112.427   11.554  161.709   31.976  223.564   60.248  137.453   37.729  130.042   19.124  102.627   15.180 27.41506 24.41624 
1 1 1    2   32   22 o  132.919   10.948  224.892   36.018  267.943   64.213  205.129   43.506  142.857   18.430  126.113   14.054 16.74477 23.17653 
1 1 1    2   32   23 o  107.715   16.983  152.603   44.168   0.0000   0.0000  152.603   44.168  ?   ?   107.715   16.983 0.000000 16.98281 
1 1 1    2   32   24 o  269.999   12.629  925.800   85.146  1108.13  147.214  834.146  104.376  290.865   20.397  254.278   16.527 36.58653 26.25237 
1 1 1    2   32   25 o  134.983   10.642  231.657   35.581  352.568   61.426  170.601   43.649  165.399   15.036  114.401   15.693 50.99809 21.73340 
1 1 1    2   32   26 o  207.794   11.252  548.124   58.167  666.365   98.514  484.841   72.070  226.618   17.545  194.148   14.981 32.46992 23.07061 
1 1 1    2   32   27 o  169.428   10.931  364.652   46.002  460.518   77.031  311.511   57.351  188.535   16.528  155.355   14.968 33.18059 22.29873 
1 1 1    2   32   28 o  152.912   15.438  302.721   58.142  310.667   71.091  286.669  101.044  153.590   18.936  142.553   29.362 11.03712 34.93871 
1 1 1    2   32   29 o  293.499   11.821  1093.54   86.636  1306.34  145.633  976.981  107.782  316.562   18.503  275.261   15.746 41.30078 24.29579 
1 1 1    2   32   30 o  101.626   9.5134  131.521   23.862  227.614   40.759   81.409   29.434  133.193   12.397   78.274   15.606 54.91971 19.93042 
1 1 1    2   32   31 o  129.781   9.5779  213.992   30.821  310.249   49.258  152.059   39.512  155.445   12.804  107.780   15.094 47.66586 19.79328 
1 1 1    2   32   32 o   45.283   14.300   26.104   18.089   0.0000   0.0000   26.104   18.089  ?   ?    45.283   14.300 0.000000 14.30031 
1 1 1    2   32   33 f   72.934   11.655   69.372   20.512   75.224   30.939   64.782   27.400   74.606   16.987   69.352   16.126 5.253723 23.42280 
1 1 1    2   32   34 o   83.967   10.838   91.127   22.195   98.370   33.623   85.532   29.548   85.635   16.319   80.016   15.346 5.618340 22.40104 
1 1 1    2   32   35 o   32.657   10.933   12.860   10.492   19.026   15.939   8.1453   13.938   39.696   13.474   31.539   12.286 8.156775 18.23476 
1 1 1    2   32   36 o   66.405   26.404   44.410   65.543   0.0000   0.0000   44.410   65.543  ?   ?    66.405   26.404 0.000000 26.40429 
1 1 1    2   32   37 o   66.517   14.706   59.803   23.778   0.0000   0.0000   59.803   23.778  ?   ?    66.517   14.706 0.000000 14.70579 
1 1 1    2   33    0 o   30.219   13.580  -7.6994   21.393   15.257   30.618 -29.5974   29.904   43.888   17.838   30.961   14.641 12.92721 23.07717 
1 1 1    2   33    1 o   76.913   15.599   81.562   28.935  110.425   44.010   59.587   38.401   87.225   20.544   64.768   20.876 22.45621 29.28950 
1 1 1    2   33    2 o   78.993   14.794   84.745   28.110   95.448   43.670   77.174   36.731   81.101   21.292   73.536   19.633 7.564598 28.96239 
1 1 1    2   33    3 o  114.811   12.352  172.490   34.857  122.445   56.068  204.016   44.502   90.967   24.243  123.859   14.673 -32.89126 28.33776 
1 1 1    2   33    4 o  103.153   12.826  139.640   32.326  139.448   52.688  139.755   40.936   98.872   21.915  101.552   16.724 -2.680229 27.56791 
1 1 1    2   33    5 o  148.018   19.202  298.270   69.303   0.0000   0.0000  298.270   69.303  ?   ?   148.018   19.202 0.000000 19.20175 
1 1 1    2   33    6 o  141.151   11.500  256.731   40.184  157.930   68.090  309.532   49.776  103.817   26.249  154.418   13.030 -50.60092 29.30528 
1 1 1    2   33    7 o  215.459   11.858  596.239   63.555  467.984  108.559  663.120   78.393  182.802   24.389  226.063   13.955 -43.26070 28.09960 
1 1 1    2   33    8 o  145.790   11.455  272.983   41.367  204.520   70.868  308.368   50.948  120.215   24.440  154.255   13.358 -34.04082 27.85212 
1 1 1    2   33    9 o   89.999   13.649  106.362   29.714  131.013   54.374   95.865   35.480   96.592   22.892   84.137   17.459 12.45580 28.78983 
1 1 1    2   33   10 o  161.292   14.706  338.414   58.580  393.601   81.555  279.593   84.198  171.631   19.367  141.432   24.741 30.19905 31.41990 
1 1 1    2   33   11 o  267.857   12.584  917.447   84.171  990.980  147.491  881.933  102.501  271.234   21.964  260.414   15.837 10.81995 27.07852 
1 1 1    2   33   12 f  153.940   11.344  303.019   43.302  322.254   78.750  294.683   51.843  154.624   20.933  150.908   13.914 3.715973 25.13564 
1 1 1    2   33   13 o  139.579   11.217  249.117   38.769  275.032   71.456  238.306   46.152  142.960   20.612  135.676   13.815 7.283997 24.81292 
1 1 1    2   33   14 o  214.154   12.047  585.860   64.164  471.072  114.010  639.072   77.625  184.934   25.355  222.819   14.022 -37.88533 28.97395 
1 1 1    2   33   15 o  189.928   18.879  475.958   88.355   0.0000   0.0000  475.958   88.355  ?   ?   189.928   18.879 0.000000 18.87922 
1 1 1    2   33   16 o  104.313   12.265  140.335   31.338  121.779   63.030  146.428   36.119   93.135   26.070  106.095   13.973 -12.96035 29.57858 
1 1 1    2   33   17 o   78.290   24.961   82.591   55.011   82.591   55.011   0.0000   0.0000   78.290   24.961  ?   ?  0.000000 24.96059 
1 1 1    2   33   18 o  210.324   11.842  563.851   61.945  526.147  109.468  581.612   75.132  197.959   22.546  212.669   14.229 -14.70988 26.66117 
1 1 1    2   33   19 o   84.649   19.374   97.096   40.067  113.475   54.684   78.111   58.875   90.512   23.857   77.169   25.898 13.34357 35.21164 
1 1 1    2   33   20 o   74.856   13.856   73.756   24.947   72.247   49.638   74.265   28.856   73.841   23.728   74.618   15.969 -0.7777710 28.60099 
1 1 1    2   33   21 f  110.085   12.078  155.764   32.656  170.422   60.892  149.846   38.691  111.641   22.617  107.171   14.857 4.469383 27.05980 
1 1 1    2   33   22 o  226.362   11.700  652.162   65.911  721.821  114.561  617.695   80.584  234.172   19.776  219.028   14.820 15.14365 24.71284 
1 1 1    2   33   23 o  173.516   11.023  383.001   47.515  457.024   83.108  347.054   57.914  186.859   18.035  164.104   14.275 22.75508 23.00017 
1 1 1    2   33   24 o  185.797   14.925  445.496   68.664   0.0000   0.0000  445.496   68.664  ?   ?   185.797   14.925 0.000000 14.92519 
1 1 1    2   33   25 o   94.190   12.913  115.046   29.573  210.180   53.970   74.225   35.353  126.247   17.598   74.058   19.017 52.18961 25.91022 
1 1 1    2   33   26 o  152.473   11.012  296.233   41.647  336.979   70.206  274.109   51.732  160.178   17.856  145.587   14.419 14.59174 22.95063 
1 1 1    2   33   27 o  220.479   11.752  619.638   64.470  791.979  108.647  525.976   80.095  246.213   17.790  201.276   16.069 44.93727 23.97341 
1 1 1    2   33   28 o  105.156   11.229  141.950   29.030  155.588   49.690  134.882   35.770  107.556   19.205  101.549   14.519 6.007599 24.07561 
1 1 1    2   33   29 o   56.285   19.555   38.487   33.626   39.159   36.700   34.972   83.932   57.437   20.391   70.465   29.181 -13.02823 35.59962 
1 1 1    2   33   30 o  125.063   10.381  199.756   32.126  286.470   52.919  149.146   40.429  148.514   14.452  106.324   15.699 42.18995 21.33838 
1 1 1    2   33   31 o  121.252   10.296  187.945   30.881  225.028   49.818  164.805   39.353  130.939   15.539  112.232   14.372 18.70742 21.16617 
1 1 1    2   33   32 o  155.053   10.491  307.099   40.381  363.966   63.565  268.619   52.288  166.769   15.439  143.351   14.821 23.41840 21.40101 
1 1 1    2   33   33 o  118.774   14.131  184.767   41.089   0.0000   0.0000  184.767   41.089  ?   ?   118.774   14.131 0.000000 14.13076 
1 1 1    2   33   34 o  151.078   11.782  294.285   44.098  303.600   63.352  285.530   61.420  150.900   17.115  146.283   17.139 4.618011 24.22091 
1 1 1    2   33   35 o  115.626   10.730  172.293   30.629  209.519   46.345  143.424   40.812  125.832   15.047  103.271   16.372 22.56174 22.23663 
1 1 1    2   33   36 o   96.862   10.293  121.171   24.516  123.448   36.360  119.273   33.198   95.756   15.754   94.593   14.518 1.162773 21.42280 
1 1 1    2   33   37 o  129.725   15.400  224.542   48.913   0.0000   0.0000  224.542   48.913  ?   ?   129.725   15.400 0.000000 15.39980 
1 1 1    2   33   38 o   78.543   14.737   83.483   27.843   0.0000   0.0000   83.483   27.843  ?   ?    78.543   14.737 0.000000 14.73693 
1 1 1    2   34    0 o   88.591   14.461  108.938   30.888   65.778   46.914  141.965   41.039   65.432   23.073   99.505   17.134 -34.07351 28.73940 
1 1 1    2   34    1 o   64.451   16.596   59.550   26.872   56.785   41.414   61.561   35.316   62.380   21.700   64.492   19.921 -2.111240 29.45725 
1 1 1    2   34    2 o   50.557   19.151   30.337   33.213   23.076   38.139   53.126   67.565   49.451   19.976   65.305   26.516 -15.85456 33.19820 
1 1 1    2   34    3 o   83.789   14.492   95.747   29.225  103.271   47.715   91.231   36.971   82.825   22.490   79.606   18.883 3.219383 29.36639 
1 1 1    2   34    4 o  147.530   11.559  284.053   42.244  211.539   69.076  327.378   53.392  118.964   24.078  157.071   13.751 -38.10661 27.72814 
1 1 1    2   34    5 o  152.005   11.583  300.581   43.636  221.175   72.494  345.697   54.644  121.957   24.651  161.843   13.648 -39.88606 28.17724 
1 1 1    2   34    6 o  128.411   12.082  215.106   38.287  153.175   64.480  248.832   47.584  100.956   25.553  137.170   14.092 -36.21410 29.18140 
1 1 1    2   34    7 o  112.945   19.566  177.111   53.187   0.0000   0.0000  177.111   53.187  ?   ?   112.945   19.566 0.000000 19.56644 
1 1 1    2   34    8 o  138.865   11.721  249.566   40.264  244.518   70.162  252.044   49.165  131.867   22.088  138.321   14.447 -6.453308 26.39283 
1 1 1    2   34    9 o   63.641   16.308   55.282   26.036   36.457   49.584   62.448   30.593   59.442   23.169   67.337   17.890 -7.894947 29.27151 
1 1 1    2   34   10 o   92.026   13.394  111.436   29.876  133.019   57.539  103.468   34.958   96.216   24.022   87.469   16.612 8.746826 29.20620 
1 1 1    2   34   11 o   56.077   20.359   36.964   36.814   48.667   50.295   23.456   54.033   64.025   23.706   57.392   23.554 6.632866 33.41802 
1 1 1    2   34   12 o   66.394   15.764   59.617   25.747   88.735   53.373   50.786   29.393   79.491   24.479   61.345   18.007 18.14572 30.38930 
1 1 1    2   34   13 o  191.705   11.870  471.537   56.547  466.218  101.949  473.900   67.959  184.360   22.619  191.016   14.352 -6.655121 26.78809 
1 1 1    2   34   14 o   35.956   14.605   7.5293   20.507 -48.8793   49.544   19.192   22.528   40.149   18.943   42.806   15.863 -2.657127 24.70727 
1 1 1    2   34   15 o  253.777   13.382  829.211   84.504  560.975  149.532  955.070  102.428  195.486   31.719  271.244   15.183 -75.75706 35.16516 
1 1 1    2   34   17 o  184.568   11.676  435.783   53.539  431.418   97.322  437.677   64.112  178.151   22.369  183.987   14.061 -5.835907 26.42129 
1 1 1    2   34   18 o  178.532   11.831  407.964   52.446  371.254   93.774  424.673   63.265  164.543   23.489  181.253   14.088 -16.71083 27.38967 
1 1 1    2   34   19 o  221.592   13.000  630.371   71.620  530.513  125.967  678.071   87.061  195.008   26.558  228.641   15.337 -33.63304 30.66873 
1 1 1    2   34   20 o  231.249   11.963  683.369   68.844  751.520  120.746  650.544   83.799  237.373   20.573  224.116   15.061 13.25664 25.49691 
1 1 1    2   34   21 o  160.011   15.426  333.454   60.876  318.780   81.490  351.983   91.574  153.308   21.909  160.252   23.589 -6.943695 32.19378 
1 1 1    2   34   22 o  157.663   11.939  318.499   46.659  360.371   82.928  299.105   56.439  163.788   20.740  151.600   15.110 12.18761 25.66036 
1 1 1    2   34   23 o  213.338   11.726  581.355   62.230  612.461  107.339  565.607   76.375  214.320   20.298  209.075   14.723 5.245102 25.07508 
1 1 1    2   34   24 o  135.637   10.964  235.238   36.820  287.009   65.877  211.718   44.403  147.031   18.341  127.619   14.172 19.41277 23.17857 
1 1 1    2   34   25 o   52.464   15.408   36.302   21.515   50.271   45.068   32.179   24.485   63.949   22.608   50.593   16.693 13.35524 28.10297 
1 1 1    2   34   26 o   75.443   17.719   77.291   32.812   0.0000   0.0000   77.291   32.812  ?   ?    75.443   17.719 0.000000 17.71878 
1 1 1    2   34   27 o   76.577   13.573   77.424   25.005  109.981   44.602   62.501   30.196   89.306   20.441   67.828   17.656 21.47829 27.01075 
1 1 1    2   34   28 o  149.882   11.821  288.663   43.883  353.515   72.756  251.578   55.018  162.998   18.185  138.116   16.263 24.88205 24.39624 
1 1 1    2   34   29 o   85.693   12.292   95.838   25.550  129.199   44.244   79.147   31.296   97.343   18.882   76.390   16.858 20.95375 25.31278 
1 1 1    2   34   30 o   73.797   19.787   75.374   37.211   69.376   40.553  107.335   93.609   70.931   21.235   87.904   32.381 -16.97345 38.72226 
1 1 1    2   34   31 o   53.361   13.775   38.206   18.480   23.493   33.701   44.534   22.100   49.475   19.151   57.433   15.179 -7.957294 24.43754 
1 1 1    2   34   32 o  136.593   11.128  240.266   37.627  258.463   59.131  227.884   48.777  138.769   17.449  131.326   15.152 7.443634 23.10969 
1 1 1    2   34   33 o   82.914   11.159   89.581   22.517  132.760   35.961   61.733   28.880   99.828   14.880   66.967   17.184 32.86034 22.73124 
1 1 1    2   34   34 o  131.535   14.914  229.460   48.121   0.0000   0.0000  229.460   48.121  ?   ?   131.535   14.914 0.000000 14.91388 
1 1 1    2   34   35 o  114.963   10.686  170.937   30.327  240.242   44.236  109.476   41.658  135.277   13.266   88.218   19.435 47.05886 23.53036 
1 1 1    2   34   36 f  214.124   12.505  597.271   66.572  643.576  106.719  567.774   85.176  215.498   20.062  205.419   16.750 10.07916 26.13514 
1 1 1    2   34   37 o   42.987   14.424   23.349   18.262   0.0000   0.0000   23.349   18.262  ?   ?    42.987   14.424 0.000000 14.42386 
1 1 1    2   35    0 o   35.492   16.351 -13.6780   33.531   0.0000   0.0000 -13.6780   33.531  ?   ?    35.492   16.351 0.000000 16.35065 
1 1 1    2   35    1 o   81.290   15.543   94.974   30.402   35.887   47.449  136.124   39.598   54.130   22.127   96.477   17.060 -42.34777 27.93993 
1 1 1    2   35    2 o  122.855   12.465  203.911   37.712  111.379   60.258  263.487   48.351   80.137   26.176  138.283   14.204 -58.14550 29.78098 
1 1 1    2   35    3 o   92.634   14.377  118.627   32.180   54.815   51.179  160.353   41.385   61.986   23.702  106.792   16.012 -44.80617 28.60407 
1 1 1    2   35    4 o   40.795   16.226   15.270   24.756   50.402   39.199  -8.0408   31.930   59.609   21.083   36.906   16.588 22.70313 26.82655 
1 1 1    2   35    5 o   92.133   13.894  115.294   30.973   77.583   51.259  136.981   38.872   71.320   24.164   99.192   16.256 -27.87249 29.12334 
1 1 1    2   35    6 f  114.878   12.706  175.329   35.839   71.144   60.282  232.287   44.572   70.061   25.951  131.748   13.750 -61.68744 29.36911 
1 1 1    2   35    7 o   60.503   17.217   51.373   27.256   45.584   49.147   53.944   32.754   60.680   23.221   61.818   19.200 -1.137650 30.13092 
1 1 1    2   35    8 o   61.187   18.227   52.371   29.934   37.749   51.990   59.621   36.610   59.228   23.527   64.899   20.322 -5.671223 31.08882 
1 1 1    2   35    9 o  148.406   15.128  294.186   55.279   0.0000   0.0000  294.186   55.279  ?   ?   148.406   15.128 0.000000 15.12774 
1 1 1    2   35   10 o  135.395   12.465  239.554   41.672  158.344   75.414  275.251   49.999  100.734   28.629  144.367   14.047 -43.63243 31.88964 
1 1 1    2   35   11 o  142.775   12.064  264.956   42.611  187.929   77.770  298.000   50.937  110.798   28.074  150.643   13.690 -39.84521 31.23412 
1 1 1    2   35   12 o  140.974   12.121  258.021   42.254  213.137   78.802  276.134   50.059  119.406   27.054  144.966   14.002 -25.56023 30.46294 
1 1 1    2   35   13 o   53.104   20.895   26.687   40.645   5.9665   60.462   43.771   54.901   55.004   23.837   63.039   24.432 -8.034588 34.13417 
1 1 1    2   35   14 f   84.297   17.031   96.892   34.617   0.0000   0.0000   96.892   34.617  ?   ?    84.297   17.031 0.000000 17.03098 
1 1 1    2   35   15 o  104.648   25.720  159.945   66.735  159.945   66.735   0.0000   0.0000  104.648   25.720  ?   ?  0.000000 25.71991 
1 1 1    2   35   16 o  129.577   11.999  217.136   38.387  177.069   73.038  232.428   45.121  109.759   26.865  133.400   13.742 -23.64175 30.17566 
1 1 1    2   35   17 o   50.872   16.383   33.450   23.654  -4.1717   57.169   41.221   25.983   51.887   22.818   55.682   17.069 -3.795372 28.49546 
1 1 1    2   35   18 o   78.176   18.804   84.251   36.261   0.0000   0.0000   84.251   36.261  ?   ?    78.176   18.804 0.000000 18.80418 
1 1 1    2   35   19 o  104.071   12.594  140.965   32.063  182.986   63.449  126.554   37.157  114.047   23.071   97.403   15.819 16.64346 27.97368 
1 1 1    2   35   20 o  156.517   12.119  315.700   46.996  283.457   83.933  330.426   56.722  141.700   24.613  159.133   14.431 -17.43356 28.53138 
1 1 1    2   35   21 f   76.210   14.741   77.641   27.040  116.288   55.747   65.751   30.921   90.219   24.231   69.329   17.776 20.89032 30.05184 
1 1 1    2   35   22 o   69.838   21.887   66.652   42.455   59.989   53.292   78.225   70.239   68.677   24.552   77.292   28.113 -8.614464 37.32420 
1 1 1    2   35   23 o   37.899   14.603   12.939   19.524   23.909   44.058   10.259   21.780   53.857   21.571   37.960   15.179 15.89793 26.37625 
1 1 1    2   35   24 o   73.870   14.781   73.128   26.315   77.086   52.194   71.779   30.471   74.752   24.358   72.536   17.101 2.216087 29.76196 
1 1 1    2   35   25 o   45.235   15.159   25.420   20.171   53.723   43.800   17.802   22.723   64.485   22.323   42.073   15.864 22.41206 27.38518 
1 1 1    2   35   26 o   47.043   15.417   28.094   20.898   34.389   44.450   26.308   23.678   57.354   22.052   46.873   16.402 10.48188 27.48274 
1 1 1    2   35   27 o   63.317   17.795   54.787   29.306   0.0000   0.0000   54.787   29.306  ?   ?    63.317   17.795 0.000000 17.79518 
1 1 1    2   35   28 o  142.299   13.000  263.472   45.684  238.473   68.965  283.018   60.982  130.675   21.910  145.453   17.117 -14.77844 27.80308 
1 1 1    2   35   29 f   76.178   13.249   77.069   24.288   92.982   43.357   69.792   29.320   81.034   21.187   71.353   16.743 9.681259 27.00428 
1 1 1    2   35   30 o  157.729   11.912  322.014   46.574  304.616   75.382  332.757   59.232  148.130   20.964  158.669   15.133 -10.53825 25.85490 
1 1 1    2   35   31 o   89.122   12.694  104.675   27.452   83.948   45.208  116.784   34.552   76.535   22.294   93.156   15.391 -16.62017 27.09080 
1 1 1    2   35   32 o   93.902   18.317  122.296   41.410  115.531   44.507  165.896  112.988   90.291   20.240   99.534   35.731 -9.242973 41.06558 
1 1 1    2   35   33 o  134.891   11.176  235.900   37.306  216.934   57.497  249.689   49.026  125.128   18.998  137.101   14.542 -11.97361 23.92464 
1 1 1    2   35   34 o  146.950   11.354  280.445   41.341  305.281   63.318  261.991   54.579  149.740   17.248  139.437   15.962 10.30356 23.50116 
1 1 1    2   35   35 o   74.645   11.606   73.694   20.932   94.695   32.300   58.489   27.484   82.916   16.180   64.718   16.843 18.19775 23.35590 
1 1 1    2   35   36 o  128.102   17.024  225.029   53.109   0.0000   0.0000  225.029   53.109  ?   ?   128.102   17.024 0.000000 17.02377 
1 1 1    2   36    0 o   84.362   16.505  108.254   33.525   83.452   53.237  124.554   43.157   66.120   24.408   86.652   20.300 -20.53188 31.74695 
1 1 1    2   36    1 f  168.175   15.560  412.048   64.604  299.224   92.674  518.715   90.109  119.254   30.877  180.053   20.401 -60.79937 37.00770 
1 1 1    2   36    2 o   38.556   16.336   9.5875   27.231 -19.4277   45.543   25.733   33.973   39.746   18.564   46.759   18.866 -7.012295 26.46775 
1 1 1    2   36    3 o  141.942   12.395  274.911   43.494  132.197   70.768  361.544   55.137   82.062   28.376  161.265   13.825 -79.20335 31.56480 
1 1 1    2   36    4 o   45.287   16.960   25.846   25.884 -10.6328   43.969   45.193   32.021   41.478   18.965   55.378   19.091 -13.89939 26.91016 
1 1 1    2   36    5 o   51.643   19.799   34.268   35.767   1.5863   43.458  102.879   62.967   44.304   19.669   76.703   26.752 -32.39929 33.20462 
1 1 1    2   36    6 o   31.446   14.066  -5.7899   22.670 -11.0838   42.279  -3.6537   26.857   41.262   18.762   34.881   15.475 6.381481 24.32029 
1 1 1    2   36    7 o   31.584   14.082  -5.3666   22.524   41.619   44.600 -21.4522   26.096   56.973   22.038   29.813   13.965 27.16056 26.09033 
1 1 1    2   36    8 o   48.376   16.936   30.508   25.245   25.802   48.875   32.221   29.483   53.556   22.231   50.224   18.222 3.332047 28.74433 
1 1 1    2   36    9 o   97.354   14.024  128.485   33.111   82.566   60.429  148.186   39.582   73.307   26.150  103.634   15.794 -30.32745 30.54992 
1 1 1    2   36   10 o   46.666   18.234   22.202   30.772   0.0000   0.0000   22.202   30.772  ?   ?    46.666   18.234 0.000000 18.23412 
1 1 1    2   36   11 o   61.532   16.875   53.168   26.707   41.507   55.999   56.601   30.385   60.901   24.345   63.188   18.241 -2.286671 30.42008 
1 1 1    2   36   12 o   35.380   14.766   5.4536   21.729   23.973   52.104   1.5545   23.908   55.217   22.939   35.318   15.145 19.89881 27.48775 
1 1 1    2   36   13 o   96.693   15.979  127.600   37.235   0.0000   0.0000  127.600   37.235  ?   ?    96.693   15.979 0.000000 15.97894 
1 1 1    2   36   14 o   89.734   26.573  123.598   63.760  123.598   63.760   0.0000   0.0000   89.734   26.573  ?   ?  0.000000 26.57252 
1 1 1    2   36   15 o  174.855   12.180  397.989   52.851  240.248   95.336  467.973   63.501  122.141   31.157  188.765   13.562 -66.62482 33.98078 
1 1 1    2   36   16 o  150.282   12.346  294.401   45.922  215.488   85.060  326.865   54.556  117.570   29.123  157.462   14.021 -39.89260 32.32255 
1 1 1    2   36   17 o  202.009   12.604  530.891   63.266  462.632  113.173  561.917   76.302  177.182   26.383  206.212   14.918 -29.03001 30.30882 
1 1 1    2   36   18 o   73.658   15.172   73.700   26.978   69.488   56.647   74.935   30.681   71.297   25.331   73.659   17.022 -2.362389 30.51892 
1 1 1    2   36   19 o  135.436   18.110  249.712   59.717   0.0000   0.0000  249.712   59.717  ?   ?   135.436   18.110 0.000000 18.11041 
1 1 1    2   36   20 o  137.609   12.925  247.385   43.894  145.166   79.893  291.582   52.533   96.649   29.981  148.766   14.318 -52.11710 33.22418 
1 1 1    2   36   21 o   97.372   13.504  125.318   31.952   87.376   61.151  139.567   37.474   78.023   26.393  102.158   15.149 -24.13541 30.43134 
1 1 1    2   36   22 o   63.728   16.206   55.715   25.848   68.956   54.260   51.828   29.399   71.021   24.830   61.434   18.002 9.586563 30.66981 
1 1 1    2   36   23 o   47.415   15.919   28.459   22.244   34.075   48.343   26.950   25.054   57.945   22.791   47.449   16.848 10.49603 28.34234 
1 1 1    2   36   24 o   68.218   22.193   64.585   43.335   57.012   51.178   83.771   81.456   66.293   24.014   78.686   29.947 -12.39353 38.38594 
1 1 1    2   36   25 o  230.071   13.149  689.595   75.232  642.146  126.137  715.793   93.727  211.824   24.285  231.875   16.290 -20.05096 29.24244 
1 1 1    2   36   26 o   97.775   13.426  126.473   31.915   90.275   57.587  142.519   38.342   78.690   25.583  103.042   15.371 -24.35231 29.84591 
1 1 1    2   36   27 o   92.658   14.176  114.615   31.758  111.404   55.390  116.188   38.762   86.754   24.494   91.831   17.543 -5.077103 30.12794 
1 1 1    2   36   28 o  151.297   12.836  299.495   48.039  322.436   79.271  286.179   60.392  151.075   21.629  145.470   16.942 5.604782 27.47485 
1 1 1    2   36   29 o  132.724   17.591  240.646   56.866   0.0000   0.0000  240.646   56.866  ?   ?   132.724   17.591 0.000000 17.59088 
1 1 1    2   36   30 o   84.125   13.654   94.787   27.700   79.188   46.805  103.196   34.365   73.769   22.958   86.618   16.490 -12.84982 28.26623 
1 1 1    2   36   31 o  139.263   11.770  253.105   40.549  281.204   65.309  235.477   51.728  142.308   18.841  131.911   16.033 10.39705 24.73936 
1 1 1    2   36   32 o   68.753   14.003   64.319   23.224   56.961   39.202   68.298   28.828   63.757   21.126   69.896   16.738 -6.139408 26.95318 
1 1 1    2   36   33 o  106.561   18.162  158.850   46.598  167.400   50.499  109.839  120.901  108.724   19.307   84.663   35.039 24.06036 40.00607 
1 1 1    2   36   34 o  101.385   11.433  135.013   28.441  115.135   43.696  149.624   37.463   89.168   20.104  105.211   14.657 -16.04252 24.87978 
1 1 1    2   36   35 f   93.426   16.035  120.416   36.062   0.0000   0.0000  120.416   36.062  ?   ?    93.426   16.035 0.000000 16.03468 
1 1 1    2   36   36 o   70.817   31.999   27.918  120.682   0.0000   0.0000   27.918  120.682  ?   ?    70.817   31.999 0.000000 31.99933 
1 1 1    2   37    0 o   32.695   14.923  -5.4639   27.072 -38.9843   42.594   17.253   35.065   33.872   16.396   42.254   18.232 -8.382469 24.52055 
1 1 1    2   37    1 o   31.448   14.462  -9.0118   26.076 -10.4832   41.837  -8.0770   33.346   38.505   17.920   35.444   16.320 3.061546 24.23759 
1 1 1    2   37    2 o   45.676   17.623   29.031   28.462   35.131   46.446   25.363   36.016   50.733   21.406   45.901   19.071 4.832245 28.66864 
1 1 1    2   37    3 f   42.761   18.680   11.657   37.753   0.0000   0.0000   11.657   37.753  ?   ?    42.761   18.680 0.000000 18.67975 
1 1 1    2   37    4 o   75.731   16.786   87.118   30.911  111.609   52.454   74.089   38.260   77.948   24.312   66.518   20.766 11.42995 31.97321 
1 1 1    2   37    5 o   50.622   17.641   37.602   27.376   25.642   48.673   43.137   33.110   50.422   21.615   53.568   19.329 -3.145836 28.99689 
1 1 1    2   37    6 o   55.470   17.726   46.273   27.732  112.755   50.385   17.382   33.215   81.089   23.512   43.961   18.294 37.12839 29.79063 
1 1 1    2   37    7 o   69.700   22.287   79.584   43.833   87.448   56.496   67.693   69.476   70.969   25.288   65.089   26.710 5.880272 36.78209 
1 1 1    2   37    8 o   83.565   15.267   99.273   30.686   83.218   56.675  105.932   36.498   70.309   25.299   84.583   17.841 -14.27338 30.95749 
1 1 1    2   37    9 o   28.674   13.258 -14.2467   22.343 -45.7593   46.199  -4.6262   25.526   36.858   17.644   33.651   14.998 3.207478 23.15752 
1 1 1    2   37   10 o   33.962   14.706   1.0223   22.972   27.275   50.746  -5.7440   25.763   53.718   22.504   33.587   15.012 20.13082 27.05150 
1 1 1    2   37   11 o   42.760   16.401   19.992   24.550  -1.5041   54.292   25.517   27.524   48.496   21.725   46.366   17.464 2.129547 27.87453 
1 1 1    2   37   12 o   82.612   20.554  102.308   42.230   0.0000   0.0000  102.308   42.230  ?   ?    82.612   20.554 0.000000 20.55409 
1 1 1    2   37   13 o   58.373   23.854   36.586   55.127   36.586   55.127   0.0000   0.0000   58.373   23.854  ?   ?  0.000000 23.85435 
1 1 1    2   37   14 f  126.350   13.432  213.728   41.730   59.077   78.172  275.365   49.351   68.613   28.264  143.172   13.982 -74.55885 31.53362 
1 1 1    2   37   15 o   91.831   14.371  114.630   31.875   53.408   64.660  134.282   36.635   65.435   26.159   99.017   15.310 -33.58171 30.30975 
1 1 1    2   37   16 o   88.258   21.063  114.707   45.777   45.207   64.049  187.286   65.452   63.434   25.793  110.920   24.302 -47.48605 35.43807 
1 1 1    2   37   17 f   66.316   16.530   61.734   27.277   48.213   58.181   65.543   30.882   63.255   24.964   67.877   17.946 -4.622143 30.74472 
1 1 1    2   37   18 o  120.859   13.363  194.198   39.655  122.314   73.907  223.260   46.992   87.059   29.016  128.768   14.889 -41.70928 32.61241 
1 1 1    2   37   19 o  165.347   12.914  360.143   52.899  267.589   95.026  401.704   63.678  128.255   30.174  173.243   14.863 -44.98770 33.63614 
1 1 1    2   37   20 f  149.876   12.564  295.202   46.590  199.258   83.936  337.925   56.011  110.587   29.745  159.328   14.227 -48.74065 32.97288 
1 1 1    2   37   21 o   42.663   16.678   17.159   25.752   0.0000   0.0000   17.159   25.752  ?   ?    42.663   16.678 0.000000 16.67785 
1 1 1    2   37   22 o  137.905   13.270  251.443   45.134  170.759   79.889  289.267   54.699  102.481   29.575  146.803   15.138 -44.32213 33.22434 
1 1 1    2   37   23 f   42.196   15.573   19.978   21.670  -0.7336   48.852   25.052   24.179   47.860   21.069   45.795   16.519 2.065155 26.77248 
1 1 1    2   37   24 o   86.316   14.140  100.500   29.422  136.289   55.984   86.844   34.583   95.364   23.630   78.425   18.035 16.93872 29.72579 
1 1 1    2   37   25 o   97.510   21.603  138.826   51.219  149.275   61.059  114.011   94.092   99.069   24.752   84.726   32.200 14.34274 40.61387 
1 1 1    2   37   26 o   92.548   13.687  114.875   30.679  144.050   56.139  102.452   36.632   98.197   23.253   85.392   17.758 12.80515 29.25808 
1 1 1    2   37   27 o  147.969   12.333  287.656   45.155  293.583   76.083  284.433   56.104  142.182   22.150  144.917   15.757 -2.735764 27.18289 
1 1 1    2   37   28 o   80.945   15.114   89.842   29.426   61.664   52.966  102.422   35.391   66.682   24.388   85.545   17.164 -18.86311 29.82240 
1 1 1    2   37   29 o   63.550   15.573   56.260   24.520   70.502   43.892   49.798   29.563   69.354   22.315   59.527   18.200 9.826740 28.79594 
1 1 1    2   37   30 o  168.238   18.821  397.044   77.715   0.0000   0.0000  397.044   77.715  ?   ?   168.238   18.821 0.000000 18.82062 
1 1 1    2   37   31 o  128.427   12.547  218.401   39.724  209.669   63.537  224.004   50.899  119.088   22.182  127.645   16.343 -8.557648 27.55233 
1 1 1    2   37   32 o  105.438   12.709  148.142   32.789  123.315   52.625  163.895   41.921   89.806   23.275  109.174   15.839 -19.36867 28.15298 
1 1 1    2   37   33 o  143.962   12.056  273.415   42.944  256.907   66.481  285.235   56.255  133.015   20.687  144.326   15.871 -11.31053 26.07351 
1 1 1    2   37   34 f   64.764   30.614 -33.4941  130.514   0.0000   0.0000 -33.4941  130.514  ?   ?    64.764   30.614 0.000000 30.61402 
1 1 1    2   37   35 o   65.646   16.943   61.494   27.962   0.0000   0.0000   61.494   27.962  ?   ?    65.646   16.943 0.000000 16.94261 
1 1 1    2   38    0 o   31.120   15.178 -39.2487   38.403 -43.6533   43.764 -24.5029   80.075   32.725   16.013   43.556   21.384 -10.83091 26.71495 
1 1 1    2   38    1 o   48.321   19.017   38.967   33.675   83.389   50.669   3.8213   45.069   61.649   23.581   40.924   18.890 20.72504 30.21421 
1 1 1    2   38    2 o   54.652   18.878   51.762   31.317  -7.7133   51.322   87.045   39.530   41.223   19.398   68.297   21.073 -27.07351 28.64151 
1 1 1    2   38    3 o   96.025   15.765  141.210   36.490   60.512   61.632  184.766   45.280   56.572   24.289  107.981   17.382 -51.40911 29.86758 
1 1 1    2   38    4 o   63.779   18.872   68.220   32.170   26.107   57.610   87.303   38.780   49.839   22.350   70.455   20.685 -20.61553 30.45275 
1 1 1    2   38    5 o   56.334   20.303   53.157   36.515   0.0000   0.0000   53.157   36.515  ?   ?    56.334   20.303 0.000000 20.30313 
1 1 1    2   38    6 o   40.035   16.526   15.571   26.793 -32.4044   52.497   32.469   31.156   39.649   18.933   47.935   18.454 -8.285522 26.43876 
1 1 1    2   38    7 f   35.576   15.495   3.7116   25.809   21.899   52.062  -2.2145   29.718   49.627   21.801   35.844   16.065 13.78289 27.08013 
1 1 1    2   38    8 o  112.965   19.728  200.323   53.626  205.000   71.781  194.415   80.672  103.988   27.296   95.620   30.199 8.367867 40.70723 
1 1 1    2   38    9 o   58.799   17.797   52.925   28.371   83.517   58.055   43.327   32.519   68.187   25.426   53.838   19.186 14.34930 31.85218 
1 1 1    2   38   10 o   33.516   14.760  -0.7860   23.999 -48.1648   51.829   12.146   27.077   38.398   18.462   39.718   16.522 -1.319897 24.77501 
1 1 1    2   38   11 o   85.638   16.144  106.288   33.257  123.029   69.936  101.395   37.806   80.555   28.189   81.502   18.937 -0.9469452 33.95868 
1 1 1    2   38   12 o   83.462   28.840  131.622   73.096  131.622   73.096   0.0000   0.0000   83.462   28.840  ?   ?  0.000000 28.84020 
1 1 1    2   38   13 o   84.577   20.919  111.229   43.936   0.0000   0.0000  111.229   43.936  ?   ?    84.577   20.919 0.000000 20.91884 
1 1 1    2   38   14 o   66.063   17.417   64.159   29.141   35.799   62.450   72.053   32.948   58.242   24.711   69.408   18.623 -11.16586 30.94225 
1 1 1    2   38   15 o   92.345   14.854  118.693   33.092   69.949   67.510  134.109   37.966   67.858   26.856   97.379   16.181 -29.52071 31.35354 
1 1 1    2   38   16 o   92.657   14.489  118.576   32.427  118.587   66.495  118.572   37.143   83.083   27.514   91.122   16.947 -8.039207 32.31462 
1 1 1    2   38   17 o   36.368   16.964 -25.0723   37.831 -35.5849   51.456 -12.7054   55.810   41.252   19.415   46.939   21.425 -5.686996 28.91310 
1 1 1    2   38   18 o   76.689   15.657   82.722   28.970   98.168   58.866   77.786   33.279   77.708   25.895   72.964   18.297 4.743706 31.70731 
1 1 1    2   38   19 o  126.990   13.793  217.941   43.037  153.601   78.796  245.294   51.377   93.351   29.885  133.328   15.734 -39.97717 33.77384 
1 1 1    2   38   20 o  131.937   12.859  232.585   41.830  266.259   77.527  218.757   49.682  130.909   24.619  125.576   16.222 5.333084 29.48354 
1 1 1    2   38   21 o  145.770   13.625  285.462   49.022  169.661   86.706  339.870   59.432   97.100   31.377  157.759   15.278 -60.65881 34.89856 
1 1 1    2   38   22 o   75.544   19.540   84.065   37.139   0.0000   0.0000   84.065   37.139  ?   ?    75.544   19.540 0.000000 19.53997 
1 1 1    2   38   23 o   43.035   15.934   21.532   22.721 -11.4401   53.794   28.691   25.066   46.824   21.241   47.465   16.852 -0.6418076 27.11436 
1 1 1    2   38   24 o   77.878   15.839   84.955   29.754   34.651   56.383  104.369   35.028   58.158   23.987   85.922   16.927 -27.76454 29.35799 
1 1 1    2   38   25 o   95.804   14.937  126.083   34.570   79.560   62.369  146.714   41.534   72.038   26.447  102.289   16.847 -30.25113 31.35668 
1 1 1    2   38   26 o  172.692   13.248  398.181   56.696  407.138   95.627  393.326   70.406  163.230   24.192  168.209   16.994 -4.979446 29.56490 
1 1 1    2   38   27 o   81.577   22.807  102.655   48.270   91.204   54.920  141.538  101.198   76.055   24.996   87.632   33.372 -11.57725 41.69559 
1 1 1    2   38   28 o   55.151   16.684   42.809   24.937   20.370   47.728   51.236   29.247   51.732   21.756   59.772   18.065 -8.040344 28.27834 
1 1 1    2   38   29 o   68.550   15.529   66.124   25.967  106.443   48.523   49.945   30.738   82.973   22.742   59.044   18.641 23.92870 29.40528 
1 1 1    2   38   30 o   36.564   14.511   11.562   19.761   0.0326   39.146   15.505   22.891   42.833   18.858   40.068   15.707 2.764637 24.54265 
1 1 1    2   38   31 f   79.962   18.821   93.628   36.956   0.0000   0.0000   93.628   36.956  ?   ?    79.962   18.821 0.000000 18.82052 
1 1 1    2   38   32 o  185.333   13.834  462.842   63.563  359.914   99.380  534.097   82.688  148.048   27.905  195.454   17.114 -47.40669 32.73439 
1 1 1    2   38   33 o   92.600   13.330  116.372   29.935   87.341   48.799  133.887   37.904   74.607   23.479   97.768   16.085 -23.16087 28.45995 
1 1 1    2   38   34 o  125.701   15.896  219.643   48.783   0.0000   0.0000  219.643   48.783  ?   ?   125.701   15.896 0.000000 15.89619 
1 1 1    2   39    0 o   58.593   23.225   92.920   50.562   14.239   59.461  298.352   96.080   41.924   20.055   80.981   32.042 -39.05762 37.80075 
1 1 1    2   39    1 o   50.925   21.505   57.570   46.946   86.342   56.892  -3.8224   83.105   56.623   23.780   43.744   21.537 12.87919 32.08333 
1 1 1    2   39    2 o   68.840   24.120  112.875   51.212   77.721   63.052  181.023   87.789   55.240   24.135   69.359   29.355 -14.11961 38.00339 
1 1 1    2   39    3 o   36.324   16.215   6.2473   29.961   15.142   54.010   2.2936   36.010   44.279   20.522   37.467   17.143 6.811485 26.74065 
1 1 1    2   39    4 o   27.826   13.399 -27.4386   27.546 -32.0650   54.300 -25.8355   31.964   38.216   18.502   30.517   14.627 7.699158 23.58554 
1 1 1    2   39    5 o   68.427   19.190   81.595   34.117   41.764   63.495   97.762   40.452   51.879   23.348   72.789   21.057 -20.91010 31.44019 
1 1 1    2   39    6 o   48.442   20.106   34.110   39.976   0.0000   0.0000   34.110   39.976  ?   ?    48.442   20.106 0.000000 20.10634 
1 1 1    2   39    7 o   64.828   19.098   71.016   33.009 -97.9513   62.779  135.578   38.807   35.646   17.753   92.783   17.388 -57.13635 24.84955 
1 1 1    2   39    8 o   52.106   18.354   43.083   29.677   15.918   58.222   52.618   34.495   48.520   22.045   56.168   19.787 -7.647949 29.62265 
1 1 1    2   39    9 o   27.878   13.202 -20.9245   24.476 -60.5688   56.125 -11.6147   27.198   37.381   18.258   31.767   14.667 5.614059 23.41947 
1 1 1    2   39   10 o   51.826   21.753   35.384   47.566   25.971   66.645   45.156   67.908   52.947   23.865   56.705   24.904 -3.757793 34.49327 
1 1 1    2   39   11 o   51.313   22.822   22.284   58.774   22.284   58.774   0.0000   0.0000   51.313   22.822  ?   ?  0.000000 22.82237 
1 1 1    2   39   12 o   37.817   15.856   10.304   25.229   37.169   55.117   3.1828   28.376   54.396   23.151   36.945   16.165 17.45047 28.23633 
1 1 1    2   39   13 o   40.177   16.259   15.801   25.315   28.785   57.377   12.663   28.209   53.272   23.154   40.185   16.802 13.08778 28.60786 
1 1 1    2   39   14 o   71.795   17.729   78.358   31.595  -7.1013   66.080  103.686   35.974   49.107   22.739   82.766   17.924 -33.65881 28.95420 
1 1 1    2   39   15 o   74.222   20.936   88.582   40.486   0.0000   0.0000   88.582   40.486  ?   ?    74.222   20.936 0.000000 20.93574 
1 1 1    2   39   16 o   45.974   16.830   27.726   25.232   5.7087   57.857   32.897   28.039   49.568   22.299   49.056   17.774 0.5123367 28.51629 
1 1 1    2   39   17 o   41.720   16.109   19.607   23.796   6.8986   54.963   22.539   26.399   49.167   21.955   43.980   16.971 5.187481 27.74903 
1 1 1    2   39   18 o   75.395   16.567   82.894   30.339   65.593   62.872   88.146   34.639   64.981   25.853   76.616   18.347 -11.63501 31.70223 
1 1 1    2   39   19 o  116.967   20.119  206.653   56.645  162.283   74.858  266.100   86.647   93.453   29.026  122.092   28.873 -28.63970 40.94068 
1 1 1    2   39   20 o   84.694   15.833  102.296   32.254   67.061   64.233  114.176   37.297   65.999   26.172   88.416   17.512 -22.41695 31.49014 
1 1 1    2   39   21 o  136.734   13.455  254.724   45.348  203.102   81.164  278.152   54.679  105.315   29.620  140.752   15.831 -35.43703 33.58575 
1 1 1    2   39   22 o   74.457   16.749   80.396   30.388   36.947   60.681   94.941   35.108   58.133   24.494   80.299   17.958 -22.16627 30.37197 
1 1 1    2   39   23 o   81.068   15.649   93.249   30.532  104.687   59.765   89.210   35.516   78.485   26.089   77.420   18.602 1.064949 32.04192 
1 1 1    2   39   24 o   88.945   19.524  118.529   42.175   0.0000   0.0000  118.529   42.175  ?   ?    88.945   19.524 0.000000 19.52369 
1 1 1    2   39   25 o  106.847   14.979  158.724   38.869  104.916   68.128  184.692   47.328   77.717   27.762  113.617   17.221 -35.89979 32.66920 
1 1 1    2   39   26 o   90.335   15.994  115.608   34.759   53.363   61.950  144.207   41.992   62.742   25.419  100.052   17.441 -37.31036 30.82742 
1 1 1    2   39   27 o   90.470   15.270  114.774   33.270   97.740   60.254  122.245   39.905   76.229   26.193   91.494   18.107 -15.26503 31.84251 
1 1 1    2   39   28 o   83.693   24.189  114.331   53.404  126.159   59.418   64.617  121.814   86.690   25.647   71.469   32.235 15.22100 41.19310 
1 1 1    2   39   29 o  156.068   13.243  329.336   51.126  292.773   83.793  351.019   64.530  133.704   26.033  157.794   16.627 -24.08971 30.88940 
1 1 1    2   39   30 o   48.132   16.410   31.429   23.641  -3.1846   43.349   46.081   28.204   43.465   19.446   56.443   17.860 -12.97802 26.40320 
1 1 1    2   39   31 o   79.085   15.541   88.620   29.598   69.727   49.830   98.919   36.791   66.825   23.756   81.795   18.451 -14.96947 30.08016 
1 1 1    2   39   32 o  161.333   14.244  356.552   56.796  218.739   89.299  450.169   73.601  107.543   31.336  178.524   16.704 -70.98081 35.50984 
1 1 1    2   39   33 o  137.217   18.510  274.311   61.806   0.0000   0.0000  274.311   61.806  ?   ?   137.217   18.510 0.000000 18.50970 
1 1 1    2   40    2 o   41.023   19.298   20.114   50.739 -22.9199   60.326  124.158   93.801   37.194   18.320   52.281   25.057 -15.08659 31.03979 
1 1 1    2   40    3 o   46.380   20.873   43.473   50.744   43.503   62.552   43.415   86.783   46.481   21.725   46.866   22.849 -0.3854408 31.52870 
1 1 1    2   40    4 o   49.666   21.830   53.363   52.270   50.989   65.716   57.450   86.240   48.966   22.675   49.730   23.885 -0.7637978 32.93378 
1 1 1    2   40    5 o   38.258   16.898   12.758   31.683 -41.5179   62.574   31.469   36.741   38.168   18.772   44.680   18.955 -6.512192 26.67735 
1 1 1    2   40    6 o   53.157   19.391   52.398   33.454   47.951   64.980   54.002   39.023   50.870   23.180   52.919   20.574 -2.049065 30.99358 
1 1 1    2   40    7 o   51.562   19.111   46.872   32.704   42.456   65.725   48.326   37.702   51.000   23.268   51.738   20.192 -0.7374458 30.80807 
1 1 1    2   40    8 o   53.528   21.295   52.180   42.650   0.0000   0.0000   52.180   42.650  ?   ?    53.528   21.295 0.000000 21.29463 
1 1 1    2   40    9 o   39.626   16.810   15.013   28.892   7.8658   67.497   16.616   31.969   47.509   22.321   41.129   17.571 6.379936 28.40687 
1 1 1    2   40   10 o   69.496   27.593  116.453   71.484  116.453   71.484   0.0000   0.0000   69.496   27.593  ?   ?  0.000000 27.59337 
1 1 1    2   40   11 o   47.061   18.527   31.566   31.974   1.7193   68.978   39.735   36.086   48.095   22.586   50.644   19.758 -2.548286 30.00792 
1 1 1    2   40   12 o   49.732   18.220   37.771   29.582 -19.5502   60.923   55.454   33.839   43.719   20.739   57.667   19.633 -13.94845 28.55809 
1 1 1    2   40   13 o   64.268   18.483   66.829   31.251  103.850   66.415   56.302   35.417   70.080   26.953   58.213   20.077 11.86775 33.60856 
1 1 1    2   40   14 o   66.700   18.297   70.966   31.394  120.886   68.108   57.497   35.376   75.467   27.647   59.091   20.074 16.37554 34.16605 
1 1 1    2   40   15 o   81.052   17.780  101.614   34.997 -10.8642   69.610  139.662   40.486   48.187   22.648   95.607   17.606 -47.41949 28.68656 
1 1 1    2   40   16 o   31.694   14.600 -12.0246   26.731   0.0000   0.0000 -12.0246   26.731  ?   ?    31.694   14.600 0.000000 14.60014 
1 1 1    2   40   17 o   49.874   17.816   36.065   28.056  -6.0540   61.912   46.949   31.473   47.494   21.998   55.224   18.933 -7.729774 29.02411 
1 1 1    2   40   18 o   83.884   17.134  105.585   34.679   39.906   68.302  128.397   40.253   57.383   25.095   91.762   18.209 -34.37928 31.00505 
1 1 1    2   40   19 o   31.104   13.928  -4.5435   22.286  -3.8639   57.753  -4.6624   24.158   47.093   21.607   32.302   14.480 14.79067 26.01036 
1 1 1    2   40   20 o   28.650   13.257 -13.4171   22.401   36.219   55.840 -22.9378   24.456   55.138   23.379   27.843   13.188 27.29577 26.84187 
1 1 1    2   40   21 o   73.087   24.105   92.472   51.057   72.104   63.401  130.052   86.121   65.424   25.984   78.707   30.574 -13.28248 40.12339 
1 1 1    2   40   22 o   82.345   16.902  100.126   33.592   42.959   65.281  120.715   39.177   58.647   25.083   89.624   18.128 -30.97697 30.94812 
1 1 1    2   40   23 o   93.822   15.219  125.475   34.435  115.789   65.734  129.138   40.426   78.858   27.344   92.945   18.068 -14.08720 32.77402 
1 1 1    2   40   24 o   54.331   17.491   43.444   26.963   49.842   55.463   41.463   30.854   59.328   24.046   53.469   18.722 5.859634 30.47554 
1 1 1    2   40   25 o  194.791   19.157  566.675   91.979   0.0000   0.0000  566.675   91.979  ?   ?   194.791   19.157 0.000000 19.15680 
1 1 1    2   40   26 o   51.445   17.592   37.784   27.171   47.774   55.704   34.665   31.125   58.988   24.028   50.506   18.660 8.481857 30.42210 
1 1 1    2   40   27 o   69.724   17.562   72.677   30.563   31.480   57.658   88.775   36.043   55.237   23.598   76.228   19.002 -20.99149 30.29714 
1 1 1    2   40   28 o   48.904   17.087   33.121   25.694 -26.8512   51.911   52.580   29.570   41.920   19.656   59.196   18.219 -17.27589 26.80118 
1 1 1    2   40   29 o  132.418   14.048  242.863   45.743  210.429   75.872  261.384   57.335  108.096   27.914  133.886   17.573 -25.78976 32.98465 
1 1 1    2   40   30 o  119.399   21.780  223.927   62.548  214.698   69.711  262.038  141.657  112.587   25.399   96.755   38.705 15.83186 46.29434 
1 1 1    2   40   31 o   93.939   14.999  124.970   34.001   76.187   56.045  153.383   42.772   67.490   25.018  102.312   17.362 -34.82171 30.45205 
1 1 1    2   40   32 o   39.736   16.403   12.562   26.400   0.0000   0.0000   12.562   26.400  ?   ?    39.736   16.403 0.000000 16.40327 
1 1 1    2   41    5 o   28.932   14.587 -88.5261   49.136 -49.7409   62.114 -153.3821   80.322   35.260   17.576   33.029   16.853 2.231625 24.35052 
1 1 1    2   41    6 o   35.951   16.426   6.6922   32.911 -18.4365   65.619   15.138   38.042   39.370   19.335   39.120   17.791 0.2499542 26.27505 
1 1 1    2   41    7 o   38.246   16.974   14.269   32.344 -36.8567   69.825   28.236   36.496   39.223   19.392   42.876   18.550 -3.652115 26.83627 
1 1 1    2   41    8 o   30.279   14.436 -18.9042   30.266 -59.8229   66.337  -8.1468   34.013   37.273   18.511   33.989   15.929 3.284069 24.42061 
1 1 1    2   41    9 o   40.555   19.896 -35.2385   68.924 -35.2385   68.924   0.0000   0.0000   40.555   19.896  ?   ?  0.000000 19.89626 
1 1 1    2   41   10 o   76.635   21.936  115.362   44.112   0.0000   0.0000  115.362   44.112  ?   ?    76.635   21.936 0.000000 21.93610 
1 1 1    2   41   11 o   49.329   18.690   40.928   31.641   36.473   68.413   42.140   35.687   50.573   23.319   49.766   19.580 0.8069382 30.44871 
1 1 1    2   41   12 o   30.415   14.130 -11.1205   25.831 -97.1409   63.840   5.7189   28.246   35.349   17.652   36.193   15.972 -0.8441467 23.80553 
1 1 1    2   41   13 o   42.301   19.441   3.0255   47.025   6.7749   65.230  -1.0316   67.854   47.017   22.042   46.426   21.984 0.5910378 31.13118 
1 1 1    2   41   14 o   32.931   14.885  -3.2997   26.140   8.2166   63.966  -5.6085   28.640   47.495   22.122   33.635   15.351 13.85967 26.92616 
1 1 1    2   41   15 o   38.736   16.382   12.808   27.308   15.349   63.914   12.240   30.204   49.060   22.591   39.641   17.011 9.419228 28.27958 
1 1 1    2   41   16 o   62.647   18.657   64.752   31.365   60.841   68.851   65.776   35.233   58.412   25.376   62.036   19.997 -3.624096 32.30787 
1 1 1    2   41   17 o   48.938   18.202   35.765   29.715 -74.5400   64.477   65.512   33.483   38.702   19.039   62.698   19.402 -23.99526 27.18318 
1 1 1    2   41   18 f   82.279   22.171  118.624   46.581   0.0000   0.0000  118.624   46.581  ?   ?    82.279   22.171 0.000000 22.17078 
1 1 1    2   41   19 o   42.312   16.817   21.182   26.578   12.032   61.911   23.249   29.428   49.531   22.592   43.978   17.624 5.552235 28.65295 
1 1 1    2   41   20 o   51.965   17.765   41.199   27.709   89.497   61.269   28.781   31.068   67.808   25.933   46.706   18.302 21.10183 31.74042 
1 1 1    2   41   21 o   54.076   17.870   45.064   28.056   68.486   61.200   38.832   31.569   62.259   25.251   51.143   18.809 11.11618 31.48637 
1 1 1    2   41   22 o   65.604   24.416   77.604   53.487   74.493   64.335   84.566   96.249   64.100   25.927   66.080   29.307 -1.980316 39.12915 
1 1 1    2   41   23 f   57.033   18.106   50.461   28.970   71.389   60.883   44.336   32.937   63.574   25.394   53.904   19.298 9.669472 31.89509 
1 1 1    2   41   24 o   48.412   17.497   33.322   27.148   22.980   58.994   36.100   30.578   51.973   23.002   50.140   18.501 1.832409 29.51890 
1 1 1    2   41   25 o   82.746   16.742  102.396   33.407   85.102   64.050  108.859   39.155   67.650   26.342   83.194   19.232 -15.54418 32.61533 
1 1 1    2   41   26 o   37.024   15.534   9.3103   24.238   1.2604   55.105   11.241   26.989   46.914   21.366   39.056   16.389 7.857941 26.92762 
1 1 1    2   41   27 o   70.407   20.644   81.089   38.649   0.0000   0.0000   81.089   38.649  ?   ?    70.407   20.644 0.000000 20.64390 
1 1 1    2   41   28 o   53.897   17.960   43.881   28.316   2.9102   56.091   57.893   32.803   47.560   21.620   60.569   19.271 -13.00951 28.96147 
1 1 1    2   41   29 o  121.652   14.468  210.018   43.089  191.167   72.949  220.120   53.401   99.350   28.130  120.478   18.327 -21.12823 33.57390 
1 1 1    2   41   30 o   43.624   16.621   23.965   25.108   65.145   51.001   10.791   28.846   62.271   23.697   39.727   16.821 22.54411 29.06006 
1 1 1    2   41   31 o   54.686   27.105 -92.0599  139.546   0.0000   0.0000 -92.0599  139.546  ?   ?    54.686   27.105 0.000000 27.10470 
1 1 1    2   41   32 o   67.913   32.070   88.591  142.561   0.0000   0.0000   88.591  142.561  ?   ?    67.913   32.070 0.000000 32.06979 
1 1 1    2   42    9 o   39.519   17.367   21.193   33.066  -1.8607   71.085   27.559   37.354   41.320   20.258   41.776   18.406 -0.4565620 27.37082 
1 1 1    2   42   10 o   31.919   14.957  -7.6479   29.976 -64.8959   67.131   6.6096   33.502   36.169   18.067   36.369   16.600 -0.2004166 24.53562 
1 1 1    2   42   11 o   46.457   20.051   38.837   42.433   0.0000   0.0000   38.837   42.433  ?   ?    46.457   20.051 0.000000 20.05110 
1 1 1    2   42   12 o   39.589   17.049   18.297   30.543   3.8464   70.977   21.582   33.836   44.285   21.371   41.294   17.864 2.990974 27.85350 
1 1 1    2   42   13 o   38.551   16.762   14.211   30.096   7.2308   69.822   15.803   33.353   45.216   21.657   39.916   17.494 5.299217 27.84011 
1 1 1    2   42   14 o   44.849   18.150   30.894   31.547   67.885   71.670   22.005   35.134   54.741   24.705   42.484   18.291 12.25764 30.73888 
1 1 1    2   42   15 o   38.880   18.508 -16.0525   49.354   1.6009   68.444 -35.1737   71.233   45.522   21.705   42.030   20.537 3.491631 29.88094 
1 1 1    2   42   16 o   38.136   16.414   12.284   28.273 -23.3689   65.847   20.343   31.306   42.523   20.536   41.726   17.588 0.7969208 27.03819 
1 1 1    2   42   17 o   38.113   16.342   12.095   27.833   2.4276   63.299   14.412   30.989   45.646   21.498   39.946   17.188 5.699932 27.52484 
1 1 1    2   42   18 o   40.742   17.037   18.043   29.006   4.9789   65.901   21.182   32.303   46.880   22.035   42.732   17.931 4.148499 28.40852 
1 1 1    2   42   19 o   34.130   15.381  -1.6885   27.666  116.247   70.632 -23.0612   30.068   69.268   27.452   30.508   14.501 38.76001 31.04654 
1 1 1    2   42   20 o   49.362   19.336   37.427   34.671   0.0000   0.0000   37.427   34.671  ?   ?    49.362   19.336 0.000000 19.33642 
1 1 1    2   42   21 o   51.335   18.571   42.095   30.591   16.305   63.833   49.784   34.854   49.206   22.628   54.554   19.809 -5.348312 30.07396 
1 1 1    2   42   22 o   35.002   15.495   1.8732   26.784 -50.2283   62.603   13.547   29.633   40.223   19.565   39.969   16.992 0.2548676 25.91395 
1 1 1    2   42   23 o   78.855   18.699  101.044   36.264   26.299   69.698  128.789   42.464   52.252   23.887   88.201   19.769 -35.94839 31.00597 
1 1 1    2   42   24 o   63.473   24.558   78.061   55.391   82.733   63.667   63.511  112.349   63.950   25.818   60.615   28.576 3.334446 38.51217 
1 1 1    2   42   25 o   32.493   14.614  -3.4618   24.831   40.543   57.317 -13.6287   27.550   53.713   23.243   31.431   14.599 22.28180 27.44763 
1 1 1    2   42   26 o   56.396   18.576   51.395   30.324   11.167   60.710   64.769   35.003   48.582   22.240   62.010   19.926 -13.42723 29.86049 
1 1 1    2   42   27 o   33.762   14.929   0.5989   24.796   44.647   55.657 -10.3086   27.696   54.679   23.268   32.363   14.891 22.31621 27.62469 
1 1 1    2   42   28 o   68.683   20.959   81.530   39.232   0.0000   0.0000   81.530   39.232  ?   ?    68.683   20.959 0.000000 20.95945 
1 1 1    2   42   29 o   36.632   15.823   6.7267   26.465 -33.8512   54.448   19.278   30.282   39.994   19.148   42.504   17.559 -2.509594 25.97977 
1 1 1    2   42   30 o   41.648   17.484   16.470   30.734   0.0000   0.0000   16.470   30.734  ?   ?    41.648   17.484 0.000000 17.48378 
1 1 1    2   43   14 o   41.179   17.740   25.078   33.087 -71.6526   75.248   48.263   36.840   37.248   18.682   48.729   19.651 -11.48194 27.11414 
1 1 1    2   43   15 o   77.613   20.662  119.356   40.756   75.749   81.622  133.839   47.040   51.913   24.438   78.526   22.704 -26.61298 33.35706 
1 1 1    2   43   16 o   43.785   20.409   18.759   54.606   59.309   71.610 -37.5822   84.409   50.960   23.623   42.083   20.896 8.876858 31.53909 
1 1 1    2   43   17 o   32.760   15.155  -5.3574   29.244 -88.5125   69.096   12.789   32.278   36.029   18.046   38.517   17.032 -2.487495 24.81475 
1 1 1    2   43   18 o   62.458   20.039   74.886   35.414   65.098   74.122   77.781   40.313   53.298   24.463   61.575   21.410 -8.277443 32.50891 
1 1 1    2   43   19 o   51.829   19.421   49.062   33.952 -36.2548   72.902   72.693   38.368   41.655   20.442   60.691   20.899 -19.03585 29.23395 
1 1 1    2   43   20 o   55.155   19.217   55.294   32.485   23.793   70.901   63.663   36.547   48.342   22.763   57.813   20.367 -9.470562 30.54492 
1 1 1    2   43   21 o   38.760   17.195   9.5502   33.154   0.0000   0.0000   9.5502   33.154  ?   ?    38.760   17.195 0.000000 17.19475 
1 1 1    2   43   22 o   35.178   15.686   3.3450   27.956   73.829   66.734 -11.6571   30.788   57.429   24.966   32.765   15.290 24.66479 29.27549 
1 1 1    2   43   23 o   36.137   15.962   5.8175   28.271   74.317   65.296  -9.9852   31.362   58.021   24.958   33.492   15.563 24.52859 29.41267 
1 1 1    2   43   24 o   55.903   19.299   55.036   32.729   94.044   66.767   42.698   37.550   62.704   26.002   50.466   20.011 12.23782 32.81058 
1 1 1    2   43   25 o   68.779   26.157  111.416   62.114   90.681   70.613  182.329  130.586   61.689   26.228   67.192   31.400 -5.502735 40.91314 
1 1 1    2   43   26 o   35.180   15.694   2.2647   28.015   16.636   61.651  -1.4748   31.449   47.610   22.017   35.719   16.218 11.89021 27.34540 
1 1 1    2   43   27 o   69.971   19.398   85.018   35.072   73.613   65.761   89.552   41.460   58.772   25.157   68.991   21.630 -10.21917 33.17730 
1 1 1    2   43   28 o  105.134   17.416  176.514   44.123  111.852   77.417  207.623   53.698   65.730   27.679  110.055   20.286 -44.32490 34.31723 
1 1 1    3  -37    0 o   67.958   24.877  112.401   55.127  120.587   75.793  103.207   80.327   62.994   26.987   58.933   26.412 4.061180 37.76114 
1 1 1    3  -37    1 o   38.162   18.265 -11.3550   49.455   24.063   69.651 -47.3666   70.233   46.061   21.943   38.960   19.295 7.101765 29.22025 
1 1 1    3  -36    0 o   31.782   15.571 -52.5261   41.778 -42.0521   58.739 -63.2496   59.434   39.228   19.051   37.215   18.302 2.012440 26.41761 
1 1 1    3  -36    1 o   48.731   21.137   35.191   47.627   38.632   64.830   31.156   70.199   51.026   23.214   50.300   23.343 0.7260475 32.92050 
1 1 1    3  -36    2 o   32.714   16.003 -45.2551   43.626 -104.1989   59.741   22.089   63.856   32.943   16.540   47.110   21.996 -14.16743 27.52069 
1 1 1    3  -35    0 o   34.173   14.487   6.8969   21.439   8.2603   22.987  -2.2145   59.423   35.522   15.027   46.264   21.472 -10.74239 26.20804 
1 1 1    3  -35    1 o   39.343   18.153  -7.0809   41.560   21.963   58.115 -37.4813   59.456   49.562   22.318   40.810   19.660 8.752293 29.74204 
1 1 1    3  -35    2 o   42.958   19.290   9.8457   43.067 -42.1005   59.409   67.381   62.523   39.731   19.264   58.615   24.789 -18.88494 31.39410 
1 1 1    3  -35    3 o   53.318   21.894   50.609   46.718   76.062   65.951   24.972   66.189   59.024   25.227   49.493   22.861 9.530643 34.04499 
1 1 1    3  -35    4 o   41.435   19.094   5.3580   45.770 -22.8587   64.632   33.744   64.826   41.863   20.248   49.550   22.793 -7.687542 30.48753 
1 1 1    3  -34    0 o   37.207   15.129   12.138   22.033   24.048   23.819 -58.4886   58.002   43.461   16.270   39.374   19.078 4.086288 25.07327 
1 1 1    3  -34    1 f   44.139   16.201   26.191   23.403   29.309   25.464   9.2358   59.377   46.112   16.903   49.232   22.327 -3.120476 28.00400 
1 1 1    3  -34    2 o   48.306   16.634   34.498   24.305   30.074   26.441   58.613   61.734   46.295   17.179   59.198   24.812 -12.90315 30.17856 
1 1 1    3  -34    3 o   38.651   17.855  -9.2378   40.396 -10.4783   56.849  -7.9725   57.412   43.999   20.612   44.543   20.817 -0.5433273 29.29480 
1 1 1    3  -34    4 o   53.757   21.881   47.682   46.151  127.534   65.202 -32.4882   65.332   75.293   27.131   42.768   20.604 32.52550 34.06818 
1 1 1    3  -34    5 o   70.793   25.558  110.850   57.900  188.595   77.374   11.911   87.285   85.925   29.673   50.785   24.296 35.14064 38.35062 
1 1 1    3  -33    0 o   39.887   16.183   13.438   25.145   13.438   25.145   0.0000   0.0000   39.887   16.183  ?   ?  0.000000 16.18251 
1 1 1    3  -33    1 o   46.442   16.348   29.044   23.542   39.169   25.434 -31.5065   62.197   52.179   17.004   45.140   21.275 7.039295 27.23541 
1 1 1    3  -33    2 o   28.072   12.722  -7.3108   19.234   0.5392   20.534 -63.4975   54.935   31.741   13.823   37.810   18.377 -6.069376 22.99546 
1 1 1    3  -33    3 o   73.405   17.003   81.406   30.555  112.243   34.492 -30.9986   65.853   87.023   16.475   45.184   21.471 41.83948 27.06398 
1 1 1    3  -33    4 o   41.022   18.812  -6.6873   43.706   27.510   58.070 -51.3694   66.378   52.121   22.957   42.314   20.479 9.807396 30.76378 
1 1 1    3  -33    5 o   61.819   23.076   68.835   47.848   39.775   66.206  100.610   69.230   54.913   24.332   68.698   27.193 -13.78528 36.49031 
1 1 1    3  -33    6 o   42.435   19.464  -0.0573   46.808 -11.5586   64.731   12.548   67.766   45.453   21.508   49.534   22.968 -4.081009 31.46685 
1 1 1    3  -33    7 o   40.976   19.938 -43.7689   65.161   0.0000   0.0000 -43.7689   65.161  ?   ?    40.976   19.938 0.000000 19.93836 
1 1 1    3  -32    0 o   23.421   11.069 -18.1061   17.051  -5.1494   18.080 -122.4121   51.297   28.374   12.636   31.547   15.764 -3.173323 20.20340 
1 1 1    3  -32    1 o  147.692   12.694  290.791   46.364  355.062   54.877  130.494   86.665  162.505   13.649   85.478   31.206 77.02658 34.06071 
1 1 1    3  -32    2 o  110.106   19.249  178.019   50.999  178.019   50.999   0.0000   0.0000  110.106   19.249  ?   ?  0.000000 19.24889 
1 1 1    3  -32    3 o   40.933   15.802   18.331   22.894   24.032   24.140 -32.6538   72.194   44.156   16.409   48.533   22.889 -4.376926 28.16301 
1 1 1    3  -32    4 o  103.318   14.143  149.238   35.531  170.334   40.427   77.625   74.483  109.620   15.175   67.622   27.692 41.99803 31.57702 
1 1 1    3  -32    5 o   41.930   16.133   20.963   23.804   28.067   25.692 -22.1285   63.274   45.847   16.950   45.830   21.557 0.1707458E-01 27.42272 
1 1 1    3  -32    6 o   44.811   21.103 -19.7913   60.970   0.0000   0.0000 -19.7913   60.970  ?   ?    44.811   21.103 0.000000 21.10303 
1 1 1    3  -32    7 o   42.889   20.453 -29.0459   60.830 -29.0459   60.830   0.0000   0.0000   42.889   20.453  ?   ?  0.000000 20.45271 
1 1 1    3  -32    8 o   42.437   19.383   1.0039   45.777   20.890   65.721 -17.7349   63.797   50.703   23.185   44.556   21.162 6.147514 31.39032 
1 1 1    3  -32    9 o   67.846   27.932  115.317   76.292  115.317   76.292   0.0000   0.0000   67.846   27.932  ?   ?  0.000000 27.93240 
1 1 1    3  -31    0 o   40.736   15.004   18.289   20.099   20.403   21.971   7.4449   49.760   42.695   15.693   50.531   21.762 -7.836235 26.83022 
1 1 1    3  -31    1 o   45.775   15.815   26.308   21.980   36.552   24.116 -23.9630   53.423   52.075   16.518   45.158   20.742 6.917057 26.51606 
1 1 1    3  -31    2 o   88.539   16.167  108.616   34.427  108.616   34.427   0.0000   0.0000   88.539   16.167  ?   ?  0.000000 16.16662 
1 1 1    3  -31    3 o  203.826   21.010  604.755  105.408  604.755  105.408   0.0000   0.0000  203.826   21.010  ?   ?  0.000000 21.01033 
1 1 1    3  -31    4 o   67.796   16.891   66.284   28.492   77.117   31.435   16.417   67.441   72.909   17.490   56.112   24.726 16.79780 30.28618 
1 1 1    3  -31    5 o   59.408   24.775   42.266   61.106   0.0000   0.0000   42.266   61.106  ?   ?    59.408   24.775 0.000000 24.77475 
1 1 1    3  -31    6 o   38.981   15.886   12.935   24.365   12.935   24.365   0.0000   0.0000   38.981   15.886  ?   ?  0.000000 15.88602 
1 1 1    3  -31    7 o   50.543   17.110   37.116   25.699   48.869   28.214 -20.1350   62.270   56.766   17.851   45.959   21.543 10.80674 27.97771 
1 1 1    3  -31    8 o   37.818   17.643 -18.3239   40.959   1.8616   59.461 -36.5499   56.501   47.920   21.964   41.119   19.637 6.801510 29.46227 
1 1 1    3  -31    9 o   47.065   20.484   19.593   45.027   19.989   64.959   19.227   62.470   51.479   23.349   50.880   23.004 0.5995903 32.77732 
1 1 1    3  -31   10 o   45.792   20.316   15.645   46.291   51.978   69.999 -12.5961   61.713   56.848   25.113   44.802   21.139 12.04659 32.82574 
1 1 1    3  -30    0 o   68.126   15.274   62.823   25.342   66.775   28.669   48.696   54.204   69.912   16.658   64.705   24.476 5.207245 29.60665 
1 1 1    3  -30    1 o   68.084   20.854   64.455   38.794   26.496   53.838  105.450   55.950   57.607   23.561   84.970   24.817 -27.36254 34.21993 
1 1 1    3  -30    2 o   54.518   16.232   40.280   23.745   31.069   26.016   86.224   58.104   49.760   17.205   77.078   25.729 -27.31782 30.95142 
1 1 1    3  -30    3 o   82.881   14.397   92.785   28.716   87.832   32.004  113.241   65.036   79.658   16.626   85.699   27.120 -6.041580 31.81121 
1 1 1    3  -30    4 o  111.491   13.285  165.531   36.258  183.147   41.865  112.657   72.530  116.554   14.712   83.951   28.742 32.60230 32.28849 
1 1 1    3  -30    5 o   94.496   19.678  129.782   44.927  129.782   44.927   0.0000   0.0000   94.496   19.678  ?   ?  0.000000 19.67814 
1 1 1    3  -30    6 o   40.410   15.701   16.543   22.716   18.450   24.609   5.5661   59.049   42.133   16.350   51.696   22.940 -9.563080 28.16990 
1 1 1    3  -30    7 o   94.678   14.238  124.025   32.620  137.972   37.022   75.610   68.978   99.120   15.462   69.041   27.203 30.07851 31.28964 
1 1 1    3  -30    8 o  116.579   13.345  186.780   38.151  215.451   44.395  105.823   74.602  124.220   14.590   75.393   28.667 48.82769 32.16607 
1 1 1    3  -30    9 o   73.869   23.335   93.543   48.166  115.709   70.079   73.696   66.310   76.960   28.067   65.549   26.389 11.41118 38.52439 
1 1 1    3  -30   10 o   46.180   20.045   15.913   42.887   41.145   62.612  -6.3880   58.863   56.277   24.323   46.418   21.482 9.858818 32.45158 
1 1 1    3  -30   11 o   38.794   18.138 -17.2106   43.662 -44.9017   64.922   5.6561   58.996   42.309   20.423   47.760   21.886 -5.450718 29.93450 
1 1 1    3  -30   12 o   56.650   22.692   55.051   48.763  110.224   73.870   12.441   64.917   69.335   27.874   49.294   22.724 20.04092 35.96315 
1 1 1    3  -29    0 o  124.870   11.506  200.413   35.474  233.321   42.740  127.538   63.602  134.339   12.899   94.355   26.109 39.98442 29.12185 
1 1 1    3  -29    1 o  198.330   13.047  507.636   64.258  634.170   81.521  300.025  104.421  220.718   14.877  142.168   30.337 78.54976 33.78851 
1 1 1    3  -29    2 o  133.609   10.896  229.301   36.038  208.737   42.481  282.090   68.063  126.420   13.674  144.257   19.385 -17.83683 23.72231 
1 1 1    3  -29    3 o  170.024   11.975  373.424   50.517  408.859   60.099  288.105   93.255  177.048   13.700  139.521   27.743 37.52658 30.94096 
1 1 1    3  -29    4 o  110.909   13.314  161.937   36.139  170.505   41.577  135.461   73.087  113.038   15.107   93.919   28.596 19.11912 32.34105 
1 1 1    3  -29    5 o   75.357   15.531   77.766   28.254   90.913   31.337   20.638   65.321   81.439   15.980   59.028   25.165 22.41086 29.80961 
1 1 1    3  -29    6 o  167.126   12.455  366.691   51.606  408.388   60.645  257.247   98.250  175.333   13.967  123.955   31.635 51.37762 34.58102 
1 1 1    3  -29    7 o  127.544   19.029  231.244   58.752  231.244   58.752   0.0000   0.0000  127.544   19.029  ?   ?  0.000000 19.02871 
1 1 1    3  -29    8 o  109.465   13.329  161.803   35.682  182.156   41.532  104.436   69.727  115.278   14.767   78.960   28.099 36.31855 31.74258 
1 1 1    3  -29    9 o   43.332   16.245   22.273   23.761   23.308   26.205   17.489   56.349   44.658   16.988   52.670   22.919 -8.012775 28.52841 
1 1 1    3  -29   10 o   34.473   14.777   3.6217   22.748  -5.5484   24.896   49.997   55.986   32.786   14.698   59.765   24.182 -26.97887 28.29826 
1 1 1    3  -29   11 o   47.356   20.171   19.154   41.899   51.362   63.185  -6.1226   55.975   59.794   25.083   46.284   21.249 13.50995 32.87410 
1 1 1    3  -29   12 o   69.820   23.408   86.369   48.096   91.262   72.791   82.577   64.076   68.220   27.584   66.511   26.214 1.709007 38.05301 
1 1 1    3  -29   13 o   48.699   20.954   24.998   46.050   21.221   70.328   27.833   60.927   52.651   24.040   52.243   23.236 0.4078979 33.43399 
1 1 1    3  -28    0 o   35.245   13.549   10.907   16.780   14.112   18.258  -6.5163   42.571   37.963   14.238   44.962   19.733 -6.998802 24.33382 
1 1 1    3  -28    1 o  234.559   10.478  697.965   61.376  645.018   78.753  779.877   97.953  223.620   14.176  244.854   16.110 -21.23436 21.45900 
1 1 1    3  -28    2 o  190.484   10.990  462.987   52.052  474.361   65.002  442.658   86.906  191.706   13.668  182.187   19.401 9.519012 23.73149 
1 1 1    3  -28    3 o   47.053   20.855  -9.7083   48.664   0.0000   0.0000  -9.7083   48.664  ?   ?    47.053   20.855 0.000000 20.85473 
1 1 1    3  -28    4 o   71.370   25.368   66.188   56.818   66.188   56.818   0.0000   0.0000   71.370   25.368  ?   ?  0.000000 25.36800 
1 1 1    3  -28    5 o  132.565   12.000  227.492   39.295  232.263   45.797  214.175   76.510  133.133   13.984  121.169   26.060 11.96407 29.57467 
1 1 1    3  -28    6 o  149.092   11.604  287.637   42.861  292.624   50.411  274.629   81.422  149.389   13.664  137.802   24.562 11.58759 28.10686 
1 1 1    3  -28    7 o  130.934   12.300  224.177   39.745  257.165   46.565  135.649   76.281  139.674   13.519   92.732   29.374 46.94184 32.33622 
1 1 1    3  -28    8 o  124.311   18.805  216.341   56.551  216.341   56.551   0.0000   0.0000  124.311   18.805  ?   ?  0.000000 18.80479 
1 1 1    3  -28    9 o  136.249   12.619  246.077   42.448  272.599   50.228  179.796   79.403  142.293   14.331  103.397   29.373 38.89642 32.68277 
1 1 1    3  -28   10 o   50.889   17.149   35.278   25.815   38.629   29.078   22.813   56.080   53.081   18.199   54.649   23.308 -1.568027 29.57107 
1 1 1    3  -28   11 o   90.549   14.669  114.289   32.035  116.936   36.899  106.189   64.550   90.053   17.032   78.262   27.099 11.79107 32.00685 
1 1 1    3  -28   12 o   52.450   21.094   33.606   42.321   39.607   64.053   28.957   56.380   58.287   24.886   54.340   23.278 3.946877 34.07586 
1 1 1    3  -28   13 o   79.379   23.126  107.526   48.641  233.898   77.150   24.152   62.665  112.674   27.631   53.660   23.730 59.01395 36.42218 
1 1 1    3  -28   14 o   60.749   22.817   61.896   46.919  140.473   74.062   9.2204   60.639   81.208   28.953   49.477   22.486 31.73100 36.65903 
1 1 1    3  -28   15 o   59.957   23.206   62.795   49.477  140.848   78.831   12.064   63.554   77.774   29.493   49.747   22.766 28.02768 37.25820 
1 1 1    3  -27    0 o   64.369   14.813   55.157   23.316   67.401   26.258   9.5257   50.691   71.183   15.232   53.225   22.404 17.95834 27.09207 
1 1 1    3  -27    1 o  273.161   17.287  970.827  117.310  973.518  147.882  966.259  192.666  270.132   22.116  262.368   29.943 7.763763 37.22510 
1 1 1    3  -27    2 o  113.360   22.191  175.949   60.570   0.0000   0.0000  175.949   60.570  ?   ?   113.360   22.191 0.000000 22.19103 
1 1 1    3  -27    3 o  202.330   13.571  526.669   68.172  526.669   68.172   0.0000   0.0000  202.330   13.571  ?   ?  0.000000 13.57130 
1 1 1    3  -27    4 o  168.794   10.560  363.083   44.287  366.725   54.315  355.857   76.497  168.778   12.987  163.446   19.103 5.331757 23.09899 
1 1 1    3  -27    5 o  139.664   11.138  249.962   38.524  213.663   44.816  352.693   75.394  127.992   14.264  162.474   18.938 -34.48217 23.70891 
1 1 1    3  -27    6 o   89.377   19.853  110.379   43.159  116.780   60.863  103.904   61.211   90.023   25.766   85.228   26.210 4.795349 36.75420 
1 1 1    3  -27    7 o  152.760   11.525  300.639   43.641  308.764   51.688  280.466   81.446  153.911   13.588  140.641   24.055 13.27065 27.62729 
1 1 1    3  -27    8 o  118.061   12.084  181.461   35.123  161.203   40.781  239.652   69.116  109.877   15.276  130.328   22.022 -20.45041 26.80114 
1 1 1    3  -27    9 o   89.221   14.161  106.695   30.496   84.807   35.005  175.609   62.114   77.698   18.337  109.520   23.420 -31.82201 29.74476 
1 1 1    3  -27   10 o  120.776   19.036  205.036   55.511  205.036   55.511   0.0000   0.0000  120.776   19.036  ?   ?  0.000000 19.03607 
1 1 1    3  -27   11 o   30.725   13.691  -5.6981   21.259   0.7623   23.636 -33.0550   48.638   34.642   14.958   40.844   19.111 -6.201122 24.26942 
1 1 1    3  -27   12 o   94.230   14.398  122.051   32.805  130.076   38.337  100.103   63.398   95.965   16.598   77.765   26.860 18.19954 31.57441 
1 1 1    3  -27   13 o  118.515   13.008  190.751   37.866  220.635   45.067  119.011   69.828  126.309   14.554   81.340   28.183 44.96893 31.71967 
1 1 1    3  -27   14 o   57.819   21.550   49.632   41.694   50.072   67.768   49.365   52.889   60.954   25.795   58.915   23.621 2.038990 34.97551 
1 1 1    3  -27   15 o   73.294   22.424   90.869   44.870  187.422   71.257   27.433   57.758   99.581   27.665   53.161   23.167 46.42011 36.08384 
1 1 1    3  -27   16 o  143.392   17.822  311.612   62.442  430.867   96.161  224.670   82.107  155.546   25.651  103.600   30.007 51.94665 39.47658 
1 1 1    3  -26    0 o  247.898   11.079  777.768   68.583  801.404   91.916  748.080  103.013  249.919   14.794  240.257   17.285 9.662338 22.75167 
1 1 1    3  -26    1 o  216.631   12.834  599.048   69.116  619.520  106.554  584.177   90.812  217.074   19.878  212.040   17.301 5.033005 26.35239 
1 1 1    3  -26    2 o   69.785   17.815   65.476   31.153   65.476   31.153   0.0000   0.0000   69.785   17.815  ?   ?  0.000000 17.81546 
1 1 1    3  -26    3 o  290.999   11.828  1075.90   85.951  1007.88  114.749  1162.85  129.730  278.914   16.549  299.057   17.447 -20.14316 24.04740 
1 1 1    3  -26    4 o  176.079   10.393  393.944   45.495  393.511   56.777  394.719   76.044  175.105   13.079  173.406   17.814 1.698822 22.09966 
1 1 1    3  -26    5 o  151.395   10.341  291.737   38.861  244.018   47.111  393.340   68.743  137.305   13.933  173.749   16.024 -36.44478 21.23442 
1 1 1    3  -26    6 o   62.427   15.487   52.310   24.027   32.099   26.840  133.839   53.907   51.221   17.485   98.173   22.474 -46.95195 28.47431 
1 1 1    3  -26    7 o  153.359   22.208  321.800   82.575   0.0000   0.0000  321.800   82.575  ?   ?   153.359   22.208 0.000000 22.20838 
1 1 1    3  -26    8 o   52.701   16.063   36.627   23.053   29.480   25.847   64.429   50.977   49.354   17.144   69.950   24.089 -20.59589 29.56722 
1 1 1    3  -26    9 o   87.976   13.779  102.399   29.278  100.422   33.717  108.461   59.033   86.215   16.257   86.436   25.562 -0.2210083 30.29351 
1 1 1    3  -26   10 o  120.400   11.953  188.549   35.462  176.804   41.412  220.838   68.665  115.388   14.706  124.344   22.959 -8.956123 27.26532 
1 1 1    3  -26   11 o  244.624   15.781  798.920   95.886  798.920   95.886   0.0000   0.0000  244.624   15.781  ?   ?  0.000000 15.78085 
1 1 1    3  -26   12 o  214.131   12.212  600.294   65.031  648.572   79.374  501.717  113.420  220.547   14.493  182.243   25.631 38.30415 29.44450 
1 1 1    3  -26   13 o   54.903   16.590   42.169   24.668   33.952   28.438   67.145   49.581   50.966   17.965   67.472   23.728 -16.50594 29.76141 
1 1 1    3  -26   14 o   55.501   16.974   43.951   25.712   58.605   30.513   8.0656   47.750   63.211   18.288   48.116   21.014 15.09510 27.85744 
1 1 1    3  -26   15 o  157.320   16.297  350.426   63.094  428.443   95.308  289.561   84.181  163.650   24.038  130.899   26.659 32.75174 35.89602 
1 1 1    3  -26   16 o   79.531   22.061  103.608   45.348   67.588   72.927  126.317   57.905   65.010   27.084   84.540   25.389 -19.52987 37.12365 
1 1 1    3  -26   17 o   89.244   21.841  131.650   48.278  146.845   78.641  122.459   61.160   83.018   29.809   80.429   26.375 2.588776 39.80245 
1 1 1    3  -26   18 o  116.283   20.010  215.666   56.008  282.432   90.702  174.519   71.205  115.469   30.863   92.387   28.245 23.08257 41.83714 
1 1 1    3  -25    0 o  104.570   10.393  139.348   26.779  123.346   32.312  174.444   47.853   97.585   13.632  115.349   17.133 -17.76476 21.89470 
1 1 1    3  -25    1 o  182.073   10.028  419.531   45.418  407.609   58.460  437.684   72.136  178.585   13.202  184.182   15.838 -5.596405 20.61904 
1 1 1    3  -25    2 o  216.558   10.218  592.220   55.260  500.155   72.109  723.222   86.016  197.310   14.741  237.523   14.572 -40.21303 20.72822 
1 1 1    3  -25    3 o  154.398   9.8062  302.057   37.612  293.413   46.745  317.931   63.346  151.483   12.468  156.406   16.466 -4.923935 20.65361 
1 1 1    3  -25    4 o   72.529   17.030   70.513   30.319   74.313   31.570   25.434  108.740   74.426   17.313   76.298   32.496 -1.871933 36.82048 
1 1 1    3  -25    5 o  107.406   10.438  147.292   27.643   95.723   32.507  281.962   52.532   84.976   15.904  147.740   14.423 -62.76388 21.46944 
1 1 1    3  -25    6 o  141.340   10.948  254.766   38.341  201.995   45.150  391.235   72.607  124.631   14.796  173.042   17.023 -48.41119 22.55449 
1 1 1    3  -25    7 o  180.778   11.056  416.382   49.671  384.957   59.469  488.885   90.330  172.792   13.900  192.326   19.059 -19.53429 23.58903 
1 1 1    3  -25    8 o  146.925   11.410  276.259   41.535  257.805   49.480  320.283   76.426  140.943   14.254  154.458   20.307 -13.51505 24.81027 
1 1 1    3  -25    9 o  152.961   15.244  305.672   57.452  349.266   83.674  266.788   79.025  160.338   21.434  138.614   23.680 21.72350 31.94045 
1 1 1    3  -25   10 o  116.090   11.538  173.837   33.005  129.609   38.864  288.257   62.511   98.418   16.390  147.192   17.339 -48.77344 23.85953 
1 1 1    3  -25   11 o  150.118   11.420  290.344   42.490  280.235   51.344  312.309   75.687  146.229   14.241  150.743   20.649 -4.513687 25.08388 
1 1 1    3  -25   12 o   97.488   12.778  125.040   30.359   51.743   35.754  314.442   57.475   61.780   20.162  153.981   15.143 -92.20071 25.21553 
1 1 1    3  -25   13 o  201.161   20.422  566.400  101.165  566.400  101.165   0.0000   0.0000  201.161   20.422  ?   ?  0.000000 20.42213 
1 1 1    3  -25   14 o   59.137   16.601   48.995   25.520   38.980   29.990   75.281   48.586   54.032   18.482   71.260   23.515 -17.22757 29.90902 
1 1 1    3  -25   15 o  101.819   13.162  139.570   32.682  138.777   39.921  141.183   56.913   99.464   16.662   94.981   23.989 4.483131 29.20739 
1 1 1    3  -25   16 o  162.839   12.195  354.008   49.231  382.743   60.462  297.476   84.805  167.017   14.645  134.885   26.121 32.13249 29.94600 
1 1 1    3  -25   17 o   56.881   20.943   46.887   39.153   77.025   67.070   31.307   48.222   68.179   26.836   53.312   22.102 14.86718 34.76580 
1 1 1    3  -25   18 f   57.095   21.229   49.159   40.413 -18.1707   68.513   85.085   50.046   48.292   22.624   70.358   23.876 -22.06557 32.89259 
1 1 1    3  -25   19 o   53.865   21.274   41.749   42.282   28.708   74.119   48.040   51.480   55.825   25.165   56.859   23.123 -1.034176 34.17478 
1 1 1    3  -24    0 o   78.816   19.994   83.452   39.414   0.0000   0.0000   83.452   39.414  ?   ?    78.816   19.994 0.000000 19.99427 
1 1 1    3  -24    1 o  319.745   24.935  1359.53  197.524  1359.53  197.524   0.0000   0.0000  319.745   24.935  ?   ?  0.000000 24.93517 
1 1 1    3  -24    2 o  162.916   10.331  336.232   41.812  344.674   54.279  323.912   65.572  164.175   13.355  158.010   16.879 6.165146 21.52384 
1 1 1    3  -24    3 o  269.182   10.779  915.616   72.454  830.787   97.669  1019.43  108.046  254.388   15.448  281.900   15.407 -27.51222 21.81758 
1 1 1    3  -24    4 o  157.316   9.9889  313.530   39.038  311.592   49.394  316.755   63.715  156.116   12.782  156.187   16.590 -0.7136536E-01 20.94308 
1 1 1    3  -24    5 o  229.273   10.686  664.702   61.184  567.660   80.164  800.109   94.694  209.945   15.398  249.485   15.273 -39.53955 21.68783 
1 1 1    3  -24    6 o  270.177   16.769  944.475  112.578  915.076  141.335  995.506  186.206  262.842   21.728  269.195   28.115 -6.352997 35.53201 
1 1 1    3  -24    7 o   82.756   12.953   89.213   25.891  105.063   30.025   43.248   51.130   89.714   13.848   63.503   23.825 26.21130 27.55717 
1 1 1    3  -24    8 o  275.806   12.458  968.802   85.804  877.696  104.080  1162.09  151.598  260.374   16.086  296.468   20.605 -36.09354 26.14053 
1 1 1    3  -24    9 o  151.637   11.010  293.313   41.407  331.072   50.071  211.637   73.642  160.645   12.582  123.336   24.771 37.30860 27.78296 
1 1 1    3  -24   10 o   83.671   13.625   91.915   27.489   60.224   32.695  168.348   50.775   66.737   18.810  111.928   18.835 -45.19111 26.61899 
1 1 1    3  -24   11 o  124.080   11.502  197.923   35.235  158.609   42.450  285.014   63.181  109.451   16.004  146.548   17.618 -37.09770 23.80139 
1 1 1    3  -24   12 o  266.452   12.552  911.966   83.518  950.922  102.325  834.224  144.552  269.926   15.243  245.195   23.913 24.73184 28.35759 
1 1 1    3  -24   13 o  138.614   11.486  248.091   39.400  207.191   47.733  335.534   69.795  124.820   15.659  157.811   18.035 -32.99110 23.88378 
1 1 1    3  -24   14 o  128.464   14.899  219.630   46.909  219.630   46.909   0.0000   0.0000  128.464   14.899  ?   ?  0.000000 14.89932 
1 1 1    3  -24   15 o   59.218   16.482   48.705   25.268   29.792   29.813   96.950   47.615   49.921   18.291   80.890   22.665 -30.96870 29.12498 
1 1 1    3  -24   16 o  150.977   11.597  298.971   43.389  308.686   53.303  279.891   74.699  151.611   14.246  137.508   22.535 14.10274 26.66012 
1 1 1    3  -24   17 o   43.200   16.377   20.990   24.301   14.610   29.221   35.297   43.756   42.583   17.381   54.790   21.641 -12.20660 27.75625 
1 1 1    3  -24   18 o  105.774   18.688  164.617   47.557  263.937   78.898  107.939   59.602  126.395   25.868   79.448   26.036 46.94789 36.70237 
1 1 1    3  -24   19 o   78.486   21.470   98.905   43.296  102.409   73.732   97.062   53.490   74.197   28.431   75.103   24.668 -0.9057236 37.64078 
1 1 1    3  -24   20 o   72.200   22.091   87.162   43.547   86.780   77.104   87.341   52.769   68.444   28.118   70.369   24.493 -1.925156 37.29026 
1 1 1    3  -24   21 o   79.834   22.501  110.034   46.785  152.806   82.388   89.678   56.838   82.058   30.350   69.171   25.269 12.88615 39.49234 
1 1 1    3  -23    0 o  460.543   22.453  2759.14  258.228  2759.14  258.228   0.0000   0.0000  460.543   22.453  ?   ?  0.000000 22.45336 
1 1 1    3  -23    1 f   84.477   10.488   91.292   21.648   81.776   26.103  112.256   38.744   79.209   13.692   92.188   17.469 -12.97887 22.19581 
1 1 1    3  -23    2 o   86.451   10.463   95.575   22.127   86.509   26.388  117.049   40.612   81.555   13.424   94.007   17.955 -12.45166 22.41832 
1 1 1    3  -23    3 o  202.217   13.916  522.228   69.844  531.684   98.414  512.633   99.138  201.798   19.784  197.868   20.354 3.929688 28.38471 
1 1 1    3  -23    4 o  184.053   9.5954  427.929   43.949  394.540   57.264  475.785   68.556  175.806   13.139  192.763   14.345 -16.95621 19.45234 
1 1 1    3  -23    5 o   87.698   11.098   98.722   23.761   97.479   28.288  101.700   43.792   86.577   13.527   86.752   20.534 -0.1745071 24.58852 
1 1 1    3  -23    6 o  306.203   11.198  1186.24   85.625  1021.74  115.851  1384.30  127.116  281.558   16.550  328.819   15.481 -47.26071 22.66171 
1 1 1    3  -23    7 o  323.914   17.811  1359.49  143.514  1292.73  187.350  1454.30  223.259  311.020   24.316  326.945   27.603 -15.92514 36.78578 
1 1 1    3  -23    8 o  122.580   10.715  191.481   32.469  121.807   38.566  361.066   60.168   95.981   16.697  167.441   14.534 -71.46028 22.13636 
1 1 1    3  -23    9 o  249.420   11.916  790.135   74.219  740.238   90.451  892.965  129.847  239.714   15.189  260.444   20.121 -20.73035 25.21005 
1 1 1    3  -23   10 f  258.617   12.302  851.336   79.445  866.337   97.182  821.113  137.940  259.250   15.076  247.654   22.552 11.59572 27.12702 
1 1 1    3  -23   11 o  252.506   12.266  812.532   77.346  804.233   94.699  829.162  134.053  249.407   15.279  248.954   21.782 0.4525299 26.60642 
1 1 1    3  -23   12 o  329.836   17.972  1427.51  147.473  1461.51  210.818  1394.93  206.369  325.133   26.187  317.520   26.263 7.612854 37.08792 
1 1 1    3  -23   13 o  113.222   11.507  165.148   32.083  107.925   38.621  292.569   57.631   89.208   17.958  149.327   15.689 -60.11998 23.84664 
1 1 1    3  -23   14 o  279.676   12.784  1006.95   89.286  1070.36  109.919  883.958  153.081  286.018   15.447  251.092   24.735 34.92572 29.16220 
1 1 1    3  -23   15 o  100.499   12.731  132.459   31.233   93.487   37.731  217.303   55.671   81.919   18.838  126.386   18.161 -44.46671 26.16628 
1 1 1    3  -23   16 o  129.456   19.113  232.480   59.928  232.480   59.928   0.0000   0.0000  129.456   19.113  ?   ?  0.000000 19.11260 
1 1 1    3  -23   17 o   85.040   13.949   97.683   28.594   71.660   34.594  153.811   50.805   70.625   19.138  103.319   20.415 -32.69346 27.98316 
1 1 1    3  -23   18 o  197.544   12.021  514.244   59.018  534.115   73.032  476.840  100.199  198.666   14.828  178.452   23.022 20.21404 27.38363 
1 1 1    3  -23   19 o   80.159   15.173   90.144   29.260   67.774   35.821  134.993   50.721   67.113   19.927   93.351   22.100 -26.23792 29.75758 
1 1 1    3  -23   20 o  105.266   19.093  165.385   48.341  204.242   80.929  143.831   60.276  104.777   29.616   91.869   25.416 12.90765 39.02640 
1 1 1    3  -23   21 o  138.996   16.971  281.187   57.683  408.601   95.139  207.123   72.536  155.476   25.380  107.391   27.059 48.08550 37.09946 
1 1 1    3  -23   22 o  154.915   16.895  353.451   64.298  501.948  104.769  263.726   81.438  169.929   25.475  118.730   27.934 51.19964 37.80548 
1 1 1    3  -22    0 o   52.584   12.717   36.310   16.517   33.256   19.225   44.918   32.275   50.617   14.479   59.748   19.126 -9.130253 23.98876 
1 1 1    3  -22    1 o   51.660   12.602   35.058   16.112   39.183   18.580   22.549   32.354   54.576   13.664   49.525   18.867 5.050362 23.29551 
1 1 1    3  -22    2 o  376.422   13.182  1794.06  123.913  1684.05  173.071  1909.77  177.491  361.407   19.246  385.828   18.422 -24.42065 26.64166 
1 1 1    3  -22    3 o  208.272   9.9061  546.125   51.521  520.430   69.356  577.761   76.959  202.074   13.827  212.726   14.575 -10.65224 20.09060 
1 1 1    3  -22    4 f  258.890   15.003  856.330   96.581  711.829  136.010  1003.30  137.169  231.941   23.821  277.970   19.892 -46.02913 31.03443 
1 1 1    3  -22    5 o  128.935   9.4700  210.401   30.278  209.880   37.901  211.321   50.334  128.261   11.972  127.614   16.157 0.6477280 20.10884 
1 1 1    3  -22    6 o   65.085   12.088   55.297   18.924   57.319   22.206   49.935   36.166   65.940   13.923   62.656   20.266 3.284679 24.58788 
1 1 1    3  -22    7 o   89.001   10.701  101.433   23.306   88.001   28.328  129.574   41.002   81.974   14.362   99.097   17.192 -17.12289 22.40166 
1 1 1    3  -22    8 o  237.426   10.422  711.868   61.791  632.315   81.529  819.243   94.719  222.046   14.788  252.735   15.077 -30.68973 21.11850 
1 1 1    3  -22    9 o  138.571   17.289  250.997   58.526  250.997   58.526   0.0000   0.0000  138.571   17.289  ?   ?  0.000000 17.28916 
1 1 1    3  -22   10 o  261.102   12.288  865.986   80.122  886.581   98.119  824.768  138.807  262.692   15.020  248.990   22.570 13.70158 27.11038 
1 1 1    3  -22   11 o  256.126   12.031  833.467   76.950  794.795   94.137  911.344  133.588  248.392   15.250  262.864   20.513 -14.47217 25.56115 
1 1 1    3  -22   12 o  189.437   11.070  456.623   52.141  399.204   63.604  574.281   91.047  175.847   14.617  209.695   17.548 -33.84833 22.83842 
1 1 1    3  -22   13 o  147.616   11.031  278.132   40.368  194.323   49.309  448.461   70.296  121.422   16.705  185.962   15.272 -64.54022 22.63389 
1 1 1    3  -22   14 o  298.802   17.103  1168.07  127.087  1125.99  182.189  1207.95  177.365  285.202   25.862  297.354   24.093 -12.15167 35.34601 
1 1 1    3  -22   15 o  174.739   11.474  391.510   49.791  406.832   61.645  362.755   84.449  176.994   14.063  163.146   21.232 13.84721 25.46678 
1 1 1    3  -22   16 o  101.816   12.580  135.373   31.304   78.919   38.083  252.977   54.967   75.175   19.954  137.903   16.275 -62.72712 25.74985 
1 1 1    3  -22   17 f   92.812   17.100  117.918   38.171  117.918   38.171   0.0000   0.0000   92.812   17.100  ?   ?  0.000000 17.09971 
1 1 1    3  -22   18 o   90.515   13.874  109.851   30.360   85.817   37.250  157.404   52.396   77.531   19.312  104.800   20.755 -27.26919 28.35003 
1 1 1    3  -22   19 o  192.543   11.843  485.982   56.666  528.976   70.554  407.843   95.116  198.774   14.310  165.188   23.740 33.58539 27.71943 
1 1 1    3  -22   20 o   53.070   16.976   39.342   25.429   38.964   31.488   40.050   43.118   53.618   18.903   56.307   21.700 -2.688854 28.77892 
1 1 1    3  -22   21 o  164.233   15.882  377.491   64.323  421.593  101.258  347.655   83.286  160.117   26.233  149.245   23.093 10.87215 34.94952 
1 1 1    3  -22   22 o  112.584   18.647  188.809   50.590  198.765   86.345  183.605   62.427   99.532   31.216  105.118   24.273 -5.585976 39.54250 
1 1 1    3  -22   23 o   91.020   21.246  133.359   47.412   96.496   82.636  151.449   57.888   70.748   29.092   93.479   24.501 -22.73109 38.03489 
1 1 1    3  -22   24 o  112.725   33.941  297.444  103.387  297.444  103.387   0.0000   0.0000  112.725   33.941  ?   ?  0.000000 33.94149 
1 1 1    3  -21    0 o  427.318   21.566  2348.43  229.382  2572.02  321.964  2117.96  326.882  441.863   29.346  397.908   33.200 43.95486 44.31059 
1 1 1    3  -21    1 o   94.575   10.871  113.976   25.207  131.251   31.943   85.462   41.040  101.188   12.938   80.147   20.441 21.04126 24.19136 
1 1 1    3  -21    2 o  162.933   9.1269  334.412   36.985  326.876   48.995  344.395   56.392  160.499   12.318  164.424   13.863 -3.924988 18.54565 
1 1 1    3  -21    3 o  105.575   10.044  141.454   26.162  130.591   33.083  159.589   42.744  100.729   13.491  110.958   15.879 -10.22826 20.83638 
1 1 1    3  -21    4 o  303.501   11.784  1162.82   89.312  1140.96  123.855  1186.50  128.910  298.570   16.678  304.331   17.031 -5.760529 23.83735 
1 1 1    3  -21    5 o  170.753   9.4325  367.858   40.065  349.208   52.703  393.390   61.666  165.617   12.844  175.480   14.194 -9.862564 19.14244 
1 1 1    3  -21    6 o  217.495   14.143  603.450   76.398  513.627  108.055  693.234  108.031  197.449   22.306  231.330   18.865 -33.88127 29.21404 
1 1 1    3  -21    7 o  172.587   10.017  376.585   42.986  367.330   56.529  389.273   66.192  169.602   13.458  174.041   15.389 -4.439453 20.44326 
1 1 1    3  -21    8 o  187.968   9.9095  446.538   46.350  472.499   60.945  410.922   71.383  192.625   12.742  178.491   16.191 14.13414 20.60373 
1 1 1    3  -21    9 o  175.727   10.443  391.119   45.621  400.639   55.693  371.703   79.539  177.276   12.664  168.462   19.253 8.814865 23.04453 
1 1 1    3  -21   10 o  214.361   19.441  600.615  102.935  600.615  102.935   0.0000   0.0000  214.361   19.441  ?   ?  0.000000 19.44088 
1 1 1    3  -21   11 o  226.229   11.791  650.394   66.384  577.749   81.073  798.190  115.639  211.856   15.430  247.447   18.856 -35.59132 24.36498 
1 1 1    3  -21   12 o  378.641   15.215  1837.73  143.864  1922.70  176.464  1669.35  248.429  385.031   18.353  348.554   28.800 36.47736 34.15061 
1 1 1    3  -21   13 o  181.669   11.094  419.747   50.087  441.438   61.724  377.924   85.708  185.553   13.411  168.520   20.808 17.03313 24.75589 
1 1 1    3  -21   14 o   98.170   12.111  124.369   29.060  101.693   35.336  171.753   51.080   87.313   16.817  113.441   18.682 -26.12773 25.13591 
1 1 1    3  -21   15 o  504.591   24.906  3460.92  313.836  3587.77  445.980  3336.48  441.712  490.317   36.690  470.171   37.944 20.14606 52.78191 
1 1 1    3  -21   16 o  124.858   12.011  200.848   36.988  197.382   45.986  207.200   62.251  122.589   15.359  123.170   20.992 -0.5815582 26.01073 
1 1 1    3  -21   17 o  212.722   11.792  581.184   62.394  581.108   77.132  581.328  106.130  211.082   14.725  206.826   20.832 4.256577 25.51106 
1 1 1    3  -21   18 o  258.026   12.411  859.274   79.970  915.472   98.959  753.498  135.765  263.931   15.077  230.897   23.892 33.03346 28.25130 
1 1 1    3  -21   19 o  136.114   19.309  257.045   63.793  257.045   63.793   0.0000   0.0000  136.114   19.309  ?   ?  0.000000 19.30933 
1 1 1    3  -21   20 f  107.607   12.821  153.651   33.774  128.596   41.994  199.544   56.834   95.515   18.272  118.340   19.941 -22.82504 27.04638 
1 1 1    3  -21   21 o   55.989   17.064   44.144   26.015   10.179   33.119   98.863   42.036   43.049   18.115   81.413   20.646 -38.36420 27.46664 
1 1 1    3  -21   22 o  101.820   13.415  141.119   33.279  145.070   42.356  134.744   53.797  100.503   17.513   92.137   23.352 8.365982 29.18917 
1 1 1    3  -21   23 o   57.464   21.948   46.498   43.854   0.0000   0.0000   46.498   43.854  ?   ?    57.464   21.948 0.000000 21.94829 
1 1 1    3  -21   24 o  117.495   18.947  207.992   53.702  201.643   90.373  211.458   66.768   97.524   32.066  112.138   24.526 -14.61443 40.36998 
1 1 1    3  -21   25 o   65.726   21.992   72.469   42.451   59.720   83.090   76.972   49.383   62.489   27.494   66.551   23.651 -4.061287 36.26655 
1 1 1    3  -20    0 o  341.406   12.362  1465.84  105.395  1465.13  147.718  1466.57  150.419  339.683   17.474  339.746   17.791 -0.6384277E-01 24.93718 
1 1 1    3  -20    1 o   83.904   9.8328   89.531   20.211   82.335   24.998  103.113   34.345   79.858   12.981   88.971   16.049 -9.112686 20.64194 
1 1 1    3  -20    2 o  128.570   13.594  210.815   42.982  235.607   53.392  165.164   72.453  135.462   16.099  110.697   26.552 24.76444 31.05110 
1 1 1    3  -20    3 f   85.723   10.711   93.814   22.429   95.774   27.909   90.238   37.689   86.113   13.415   82.533   18.718 3.579674 23.02862 
1 1 1    3  -20    4 o  211.957   9.8697  564.659   52.240  560.049   71.217  570.030   76.861  210.033   13.653  211.647   14.633 -1.614120 20.01253 
1 1 1    3  -20    5 f  261.433   10.468  860.264   68.337  757.130   93.901  976.389   99.640  243.632   15.515  277.160   14.446 -33.52791 21.19937 
1 1 1    3  -20    6 o  141.574   9.5753  253.190   33.653  220.457   43.814  300.285   52.554  131.261   13.562  153.323   13.876 -22.06183 19.40343 
1 1 1    3  -20    7 f  132.756   9.9989  223.111   32.905  262.107   42.680  165.968   51.665  143.541   12.018  112.167   19.131 31.37349 22.59272 
1 1 1    3  -20    8 o  126.095   10.429  201.749   32.543  194.126   39.463  217.951   57.532  123.118   13.034  129.050   18.371 -5.931870 22.52529 
1 1 1    3  -20    9 o  265.707   10.748  890.880   71.317  790.498   96.604  1011.12  105.728  248.372   15.656  281.251   15.109 -32.87923 21.75734 
1 1 1    3  -20   10 o  164.578   10.643  343.251   43.507  360.688   53.280  308.354   75.373  168.185   12.782  153.007   20.222 15.17772 23.92292 
1 1 1    3  -20   11 o  129.105   10.386  211.671   33.201  207.458   40.456  220.360   58.103  127.224   12.913  129.487   18.494 -2.263672 22.55632 
1 1 1    3  -20   12 o  133.396   17.357  232.588   56.448  232.588   56.448   0.0000   0.0000  133.396   17.357  ?   ?  0.000000 17.35652 
1 1 1    3  -20   13 o  193.206   11.118  473.882   53.415  464.726   65.672  491.778   91.816  190.445   13.905  193.742   19.232 -3.297791 23.73211 
1 1 1    3  -20   14 o  199.400   11.260  505.266   55.841  533.404   68.893  451.376   95.341  204.091   13.595  184.437   21.079 19.65439 25.08324 
1 1 1    3  -20   15 o  261.862   12.433  872.529   81.302  850.491  100.010  915.477  139.613  256.687   15.677  262.675   21.472 -5.987885 26.58616 
1 1 1    3  -20   16 o  167.704   11.266  358.660   46.905  360.948   58.223  354.431   79.171  167.273   14.069  163.229   19.830 4.043961 24.31424 
1 1 1    3  -20   17 o  156.183   15.259  317.831   58.752  190.476   89.181  415.490   78.095  113.652   30.699  177.463   17.865 -63.81152 35.51910 
1 1 1    3  -20   18 o  149.003   11.421  284.956   42.171  299.203   52.839  259.956   69.993  151.641   14.116  137.969   20.976 13.67151 25.28321 
1 1 1    3  -20   19 o   25.819   12.064 -17.6340   19.263 -37.0668   23.312   24.186   34.199   24.974   12.099   49.852   19.294 -24.87714 22.77357 
1 1 1    3  -20   20 o   75.589   18.818   80.191   35.382   80.191   35.382   0.0000   0.0000   75.589   18.818  ?   ?  0.000000 18.81763 
1 1 1    3  -20   21 o   89.908   13.960  108.597   30.325  122.973   38.240   84.236   49.780   94.380   16.843   75.428   23.710 18.95282 29.08305 
1 1 1    3  -20   22 o   92.258   14.221  115.635   31.711  123.506   40.669  103.426   50.649   93.205   18.126   82.037   23.512 11.16806 29.68792 
1 1 1    3  -20   23 o   41.663   17.604   9.0744   31.489   9.0744   31.489   0.0000   0.0000   41.663   17.604  ?   ?  0.000000 17.60430 
1 1 1    3  -20   24 o  109.442   18.379  175.228   48.450  152.168   85.244  186.233   58.886   88.483   31.112  109.195   22.348 -20.71155 38.30677 
1 1 1    3  -20   25 o   82.702   20.898  107.910   43.177   91.799   80.430  114.433   51.176   71.474   28.961   82.740   23.608 -11.26537 37.36435 
1 1 1    3  -20   26 o   67.477   21.667   75.062   41.395   81.038   82.447   73.047   47.865   67.317   28.467   65.793   23.295 1.523499 36.78349 
1 1 1    3  -19    0 o  160.758   9.4989  324.875   37.963  331.616   51.492  316.848   56.192  161.978   12.835  158.055   14.395 3.922546 19.28592 
1 1 1    3  -19    1 o  313.569   11.387  1234.16   89.166  1171.54  124.509  1300.08  127.752  304.216   16.451  321.029   15.936 -16.81277 22.90359 
1 1 1    3  -19    2 o  101.301   9.6855  129.830   24.202  156.208   31.051   88.995   38.634  110.959   11.367   82.141   19.182 28.81873 22.29693 
1 1 1    3  -19    3 o  128.869   9.5403  209.427   30.484  204.422   39.891  216.452   47.260  126.812   12.771  130.142   14.806 -3.329865 19.55249 
1 1 1    3  -19    4 o  203.810   13.152  525.743   66.578  476.391   87.142  594.946  103.190  192.718   18.328  215.226   19.408 -22.50764 26.69464 
1 1 1    3  -19    5 o  224.436   9.9552  632.773   55.795  631.993   76.508  633.660   81.544  223.267   13.790  223.332   14.704 -0.6480408E-01 20.15839 
1 1 1    3  -19    6 o  151.901   9.2451  290.819   34.902  272.803   46.017  315.218   53.554  146.483   12.706  157.305   13.772 -10.82181 18.73772 
1 1 1    3  -19    7 o  214.029   10.026  576.186   53.588  524.625   72.674  637.630   79.334  202.944   14.434  223.880   14.265 -20.93613 20.29346 
1 1 1    3  -19    8 o  243.735   10.358  748.012   63.043  698.332   85.976  805.787   92.717  234.046   14.786  251.455   14.831 -17.40915 20.94290 
1 1 1    3  -19    9 o   64.991   16.444   55.981   26.709   38.173   40.816   69.317   35.322   59.035   21.437   72.140   19.250 -13.10445 28.81129 
1 1 1    3  -19   10 o  257.617   12.148  839.387   78.151  820.856   95.654  876.592  135.538  253.423   15.185  259.176   21.126 -5.753250 26.01670 
1 1 1    3  -19   11 o   78.588   11.802   79.766   22.446   67.743   27.299  104.857   39.437   71.513   15.716   88.737   18.401 -17.22430 24.19861 
1 1 1    3  -19   12 o  220.759   11.212  617.361   61.608  681.867   75.832  492.125  105.662  231.412   13.177  192.860   22.354 38.55191 25.94859 
1 1 1    3  -19   13 o   51.558   16.443   33.553   23.872   33.553   23.872   0.0000   0.0000   51.558   16.443  ?   ?  0.000000 16.44337 
1 1 1    3  -19   14 o  173.055   11.098  380.235   47.708  449.306   59.067  250.608   80.918  187.720   12.675  135.618   24.808 52.10225 27.85789 
1 1 1    3  -19   15 o  145.671   10.878  269.846   39.287  234.095   48.333  339.458   67.445  134.614   14.613  161.534   16.974 -26.91960 22.39748 
1 1 1    3  -19   16 o  340.273   14.280  1480.35  121.337  1472.83  149.051  1495.12  208.920  336.828   17.784  332.976   25.315 3.852142 30.93720 
1 1 1    3  -19   17 f  109.616   11.599  154.193   31.268  175.694   39.137  116.253   51.989  116.497   13.716   91.795   22.786 24.70155 26.59578 
1 1 1    3  -19   18 f  186.180   14.487  448.003   66.821  470.345  101.795  431.086   88.577  186.640   22.281  179.867   20.062 6.772675 29.98270 
1 1 1    3  -19   19 o  282.752   12.678  1024.02   89.519  1123.67  111.003  838.633  151.397  294.262   15.158  246.244   24.966 48.01851 29.20691 
1 1 1    3  -19   20 o   97.570   13.133  124.700   31.186  126.184   39.581  122.271   50.644   96.712   17.010   93.079   22.115 3.633865 27.90048 
1 1 1    3  -19   21 o   81.169   14.685   88.522   28.671   90.757   36.822   85.082   45.691   80.724   18.643   77.126   22.398 3.597939 29.14148 
1 1 1    3  -19   23 o   85.125   15.055   99.292   30.833  109.931   39.481   82.658   49.366   87.795   18.587   74.130   23.646 13.66480 30.07711 
1 1 1    3  -19   24 o  156.901   12.114  326.046   47.095  333.477   60.107  314.230   75.792  155.778   15.664  145.659   21.482 10.11847 26.58604 
1 1 1    3  -19   25 o   62.951   17.344   57.905   28.136   58.568   37.289   57.028   42.872   62.512   20.599   61.972   22.035 0.5395737 30.16429 
1 1 1    3  -19   26 o   40.950   17.846   4.4015   34.279   56.308   76.229  -8.7555   38.378   64.086   27.250   39.555   17.943 24.53075 32.62657 
1 1 1    3  -19   27 o   68.319   21.700   76.159   41.608  170.027   84.090   45.727   47.880   90.141   30.945   56.813   22.575 33.32831 38.30458 
1 1 1    3  -19   28 o   77.875   22.204  103.316   45.286  204.561   91.910   70.857   52.041   93.588   32.339   63.819   24.018 29.76854 40.28307 
1 1 1    3  -18    0 o  632.445   28.539  5112.92  450.733  5115.46  637.176  5110.39  637.691  623.698   41.142  623.344   41.199 0.3539429 58.22366 
1 1 1    3  -18    1 o  202.005   9.0814  510.843   45.811  469.076   62.716  558.618   67.075  192.859   13.100  210.582   12.816 -17.72252 18.32668 
1 1 1    3  -18    2 o  465.286   15.446  2725.87  179.471  2685.50  252.837  2766.88  254.794  459.848   22.018  466.821   21.857 -6.972809 31.02438 
1 1 1    3  -18    3 o  142.255   9.8413  254.830   34.745  264.179   46.604  243.130   52.134  144.396   13.066  138.072   15.382 6.323471 20.18230 
1 1 1    3  -18    4 o  227.161   10.231  647.261   58.034  653.726   80.195  640.153   84.089  227.381   14.194  224.821   15.065 2.560669 20.69867 
1 1 1    3  -18    5 o  254.397   14.885  819.604   94.148  812.806  127.527  827.746  139.577  251.772   20.461  253.484   22.276 -1.711441 30.24685 
1 1 1    3  -18    6 o  205.564   9.9142  530.490   50.893  539.701   69.601  519.908   74.606  206.420   13.578  202.294   14.873 4.125931 20.13883 
1 1 1    3  -18    7 o  219.263   9.7100  603.775   53.166  601.464   72.637  606.442   78.029  217.871   13.416  218.538   14.378 -0.6671295 19.66539 
1 1 1    3  -18    8 o  118.875   9.7024  178.734   28.551  182.308   36.926  173.422   45.019  119.558   12.556  115.813   15.993 3.744301 20.33284 
1 1 1    3  -18    9 o   68.061   11.416   59.941   18.716   60.067   23.018   59.695   32.153   67.646   14.084   67.242   18.547 0.4042969 23.28795 
1 1 1    3  -18   10 o   86.792   10.634   96.275   22.565  100.970   28.587   88.512   36.756   88.352   13.375   81.552   18.476 6.799828 22.80961 
1 1 1    3  -18   11 o  109.257   13.379  153.427   35.739  177.654   53.476  133.873   48.044  116.136   19.104  100.278   19.888 15.85832 27.57702 
1 1 1    3  -18   12 o  420.316   16.496  2258.73  173.146  2319.81  212.320  2137.47  299.165  423.584   20.072  397.007   30.407 26.57675 36.43483 
1 1 1    3  -18   13 o  261.073   12.107  862.533   78.934  894.668   97.036  799.681  135.708  264.658   14.741  246.629   22.275 18.02895 26.71113 
1 1 1    3  -18   14 o  177.686   10.659  399.886   47.075  456.668   58.330  293.817   79.723  189.465   12.397  148.547   22.170 40.91846 25.40099 
1 1 1    3  -18   15 f   63.218   18.245   52.782   30.403   52.782   30.403   0.0000   0.0000   63.218   18.245  ?   ?  0.000000 18.24496 
1 1 1    3  -18   16 o  197.184   11.184  493.403   54.843  521.466   67.959  440.998   92.869  201.984   13.552  182.834   20.705 19.15009 24.74617 
1 1 1    3  -18   17 o  261.243   12.067  866.087   78.724  945.558   97.578  717.918  133.238  271.671   14.435  231.850   23.330 39.82137 27.43441 
1 1 1    3  -18   18 o  122.920   11.583  193.317   35.136  206.167   44.240  171.364   57.823  126.208   14.289  112.492   21.365 13.71525 25.70286 
1 1 1    3  -18   19 o  190.813   11.291  463.858   53.562  510.545   67.237  382.772   88.609  199.346   13.588  168.869   21.500 30.47691 25.43376 
1 1 1    3  -18   20 o  242.065   12.027  747.650   72.698  778.762   90.712  691.788  121.549  245.256   14.882  226.588   21.749 18.66743 26.35282 
1 1 1    3  -18   21 o  148.344   11.374  282.613   41.814  343.806   53.332  184.981   67.365  162.936   13.221  114.100   24.382 48.83659 27.73638 
1 1 1    3  -18   22 o  194.300   14.653  495.234   70.575  495.234   70.575   0.0000   0.0000  194.300   14.653  ?   ?  0.000000 14.65324 
1 1 1    3  -18   23 o  111.168   20.652  174.801   55.221  174.801   55.221   0.0000   0.0000  111.168   20.652  ?   ?  0.000000 20.65201 
1 1 1    3  -18   24 o  143.331   11.858  269.048   42.062  294.100   54.161  230.977   66.766  147.995   14.855  125.927   22.034 22.06819 26.57439 
1 1 1    3  -18   25 o   50.980   17.178   35.000   25.904   47.247   34.473   19.117   39.260   58.136   19.816   48.530   20.015 9.605732 28.16535 
1 1 1    3  -18   26 o  152.036   12.266  308.307   46.175  354.139   60.375  243.723   71.669  160.281   15.269  124.729   23.880 35.55185 28.34396 
1 1 1    3  -18   27 o  130.015   16.913  241.670   53.611  303.441   95.115  212.909   64.903  129.640   29.979  115.734   23.264 13.90587 37.94625 
1 1 1    3  -18   28 o   83.821   21.538  112.761   45.325  111.609   89.839  113.155   52.495   75.138   30.550   81.502   24.105 -6.363914 38.91475 
1 1 1    3  -18   29 o   79.635   22.429  107.353   46.503   62.391   95.210  121.439   53.292   63.873   28.681   82.861   24.226 -18.98828 37.54314 
1 1 1    3  -17    0 o  289.903   11.224  1052.43   81.259  1100.93  113.974  1002.28  115.884  295.722   15.488  281.959   16.531 13.76288 22.65229 
1 1 1    3  -17    1 o  250.870   10.030  787.807   62.833  795.212   87.475  779.915   90.310  251.360   13.991  248.836   14.597 2.524231 20.21993 
1 1 1    3  -17    2 o  362.618   18.020  1656.65  163.174  1736.18  230.657  1576.97  230.870  368.834   25.194  351.019   26.534 17.81516 36.58934 
1 1 1    3  -17    3 o  300.885   11.319  1134.85   85.044  1076.98  118.841  1195.59  121.752  292.040   16.362  307.843   15.892 -15.80313 22.80917 
1 1 1    3  -17    4 o  263.882   10.300  872.635   67.873  842.260   94.336  905.232   97.727  258.354   14.683  267.871   14.665 -9.517273 20.75231 
1 1 1    3  -17    5 o  140.482   8.9658  248.181   31.289  261.124   41.749  231.596   47.260  143.759   11.732  134.929   14.241 8.830200 18.45120 
1 1 1    3  -17    6 o  413.809   13.904  2156.25  143.677  2174.98  202.019  2137.08  204.382  413.901   19.545  410.135   19.956 3.766663 27.93296 
1 1 1    3  -17    7 o  181.947   13.370  419.224   60.324  407.965   77.529  436.497   96.032  178.553   17.618  183.749   21.325 -5.196442 27.66111 
1 1 1    3  -17    8 o  242.891   10.139  740.898   61.496  689.404   84.536  798.780   89.625  233.138   14.594  251.078   14.354 -17.93982 20.47005 
1 1 1    3  -17    9 o  483.093   15.480  2958.10  186.741  2763.22  262.194  3158.73  266.031  462.964   22.679  495.789   21.487 -32.82474 31.24182 
1 1 1    3  -17   10 f  154.490   9.0959  300.743   34.936  343.752   46.370  244.277   53.132  164.810   11.336  137.846   15.716 26.96359 19.37772 
1 1 1    3  -17   11 o  343.895   14.315  1499.42  122.933  1511.41  150.680  1475.54  212.591  343.507   17.625  334.756   25.626 8.751068 31.10192 
1 1 1    3  -17   12 o  364.098   18.684  1705.54  169.311  1580.99  240.320  1828.28  238.573  344.109   28.215  372.092   25.836 -27.98306 38.25657 
1 1 1    3  -17   13 o  171.184   10.585  370.720   45.025  363.153   55.435  385.390   77.183  168.796   13.258  172.413   18.202 -3.616638 22.51861 
1 1 1    3  -17   14 f   99.035   10.698  125.097   26.037  139.171   32.365   99.282   43.834  104.092   12.715   85.908   20.681 18.18429 24.27744 
1 1 1    3  -17   15 o   91.285   11.170  106.757   24.931  100.786   30.883  117.928   42.243   87.883   14.583   94.165   18.624 -6.281845 23.65460 
1 1 1    3  -17   16 o  229.726   14.168  674.088   80.881  674.088   80.881   0.0000   0.0000  229.726   14.168  ?   ?  0.000000 14.16808 
1 1 1    3  -17   17 o  167.519   10.831  355.979   45.066  439.237   56.653  212.519   74.367  185.755   12.283  124.777   24.741 60.97797 27.62189 
1 1 1    3  -17   18 o  157.446   10.910  314.927   42.632  322.571   53.473  301.592   70.625  158.601   13.634  151.418   19.103 7.182999 23.46951 
1 1 1    3  -17   19 o  285.944   12.478  1039.26   89.100  1182.33  110.482  773.107  150.689  304.027   14.552  238.858   25.666 65.16849 29.50433 
1 1 1    3  -17   20 o   60.003   15.628   48.039   23.649   34.209   30.478   68.963   37.489   53.541   18.616   71.444   20.144 -17.90266 27.42841 
1 1 1    3  -17   21 o  120.289   19.535  194.580   56.668   0.0000   0.0000  194.580   56.668  ?   ?   120.289   19.535 0.000000 19.53527 
1 1 1    3  -17   22 o  255.736   12.380  837.715   79.059  884.942   98.259  751.015  133.133  260.829   15.151  234.134   23.070 26.69490 27.60053 
1 1 1    3  -17   23 o  132.592   11.809  227.299   38.690  220.591   49.708  237.609   61.624  128.914   15.770  132.036   19.256 -3.121979 24.88968 
1 1 1    3  -17   24 o  168.595   11.472  367.717   48.013  425.070   61.302  276.704   77.222  179.992   13.742  139.036   23.049 40.95587 26.83487 
1 1 1    3  -17   25 f  175.200   20.597  433.988   88.395  433.988   88.395   0.0000   0.0000  175.200   20.597  ?   ?  0.000000 20.59748 
1 1 1    3  -17   26 o   97.420   13.864  128.321   32.776  134.013   43.702  121.003   49.553   96.707   18.773   89.515   22.261 7.193001 29.12028 
1 1 1    3  -17   27 o  143.786   12.423  275.723   44.167  237.175   57.320  332.056   69.293  128.640   18.365  152.189   18.621 -23.54993 26.15380 
1 1 1    3  -17   28 o   73.335   21.065   83.543   40.614   18.182   83.493  103.803   46.484   59.224   26.702   80.921   22.292 -21.69759 34.78386 
1 1 1    3  -17   29 o  117.298   18.290  203.211   51.826  267.092   96.662  177.439   61.397  115.766   32.242  103.482   24.192 12.28439 40.30947 
1 1 1    3  -17   30 o   65.030   28.668   67.490   90.753   67.490   90.753   0.0000   0.0000   65.030   28.668  ?   ?  0.000000 28.66782 
1 1 1    3  -16    0 o  144.578   8.7824  262.338   31.558  263.891   42.938  260.513   46.537  144.686   11.992  143.615   13.121 1.070908 17.77575 
1 1 1    3  -16    1 o  320.199   11.475  1283.61   91.757  1227.10  128.727  1341.99  130.827  312.183   16.572  326.981   16.022 -14.79880 23.05074 
1 1 1    3  -16    2 o  135.914   9.0554  232.089   30.558  238.367   41.197  224.410   45.564  137.415   12.130  133.061   13.919 4.353973 18.46252 
1 1 1    3  -16    3 o  439.297   20.746  2434.98  227.588  2514.85  322.005  2355.26  321.712  443.261   29.255  428.541   30.257 14.72012 42.08730 
1 1 1    3  -16    4 o   94.615   10.328  113.422   24.005  100.199   28.408  146.442   44.891   88.402   13.279  106.495   17.487 -18.09317 21.95763 
1 1 1    3  -16    5 o  265.984   10.107  886.120   67.131  848.324   93.296  926.698   96.670  259.430   14.458  271.207   14.325 -11.77728 20.35289 
1 1 1    3  -16    6 o  474.487   15.637  2834.99  185.285  2824.09  261.139  2846.04  262.934  471.566   22.176  473.372   22.243 -1.805115 31.40886 
1 1 1    3  -16    7 o  309.955   11.416  1205.73   88.358  1261.72  123.320  1146.67  126.662  316.364   15.610  300.884   16.926 15.47992 23.02527 
1 1 1    3  -16    8 o   43.015   13.440   23.086   16.022   25.257   16.695  -2.2161   56.998   44.742   13.677   54.328   23.342 -9.585964 27.05400 
1 1 1    3  -16    9 o  149.419   10.907  281.945   40.417  343.490   62.759  238.332   52.831  164.143   15.494  136.404   15.803 27.73859 22.13126 
1 1 1    3  -16   10 o  207.799   9.5122  542.009   49.360  605.406   67.190  467.678   72.753  218.884   12.343  191.633   15.331 27.25053 19.68238 
1 1 1    3  -16   11 o  419.784   13.681  2227.21  143.418  2265.43  201.028  2187.59  204.667  420.948   19.124  413.289   19.831 7.658661 27.54983 
1 1 1    3  -16   12 o  413.461   16.366  2175.40  168.975  2184.31  207.128  2157.66  292.175  412.331   20.116  402.677   29.256 9.653687 35.50441 
1 1 1    3  -16   13 o  285.836   12.479  1032.30   89.073  1133.81  109.606  834.896  152.854  298.881   14.685  251.768   24.628 47.11273 28.67362 
1 1 1    3  -16   14 o  205.954   12.773  538.610   65.367  705.224   96.480  397.237   88.872  234.506   16.582  174.214   20.842 60.29156 26.63388 
1 1 1    3  -16   15 o   43.109   13.638   23.247   16.448   28.681   20.448   13.290   27.683   47.842   15.214   43.263   17.173 4.579189 22.94347 
1 1 1    3  -16   16 o  118.625   10.326  178.675   30.282  175.400   37.951  184.415   50.240  116.901   13.234  118.766   17.461 -1.865028 21.90900 
1 1 1    3  -16   17 o  296.886   12.980  1117.78   96.228  1165.45  118.611  1025.99  164.590  301.648   15.801  278.490   23.899 23.15820 28.64986 
1 1 1    3  -16   18 o  233.922   20.418  715.731  118.076  715.731  118.076   0.0000   0.0000  233.922   20.418  ?   ?  0.000000 20.41799 
1 1 1    3  -16   19 o  181.446   10.859  417.525   48.977  459.317   61.424  344.573   81.153  189.708   13.045  161.487   20.593 28.22098 24.37707 
1 1 1    3  -16   20 o   85.818   12.850   95.581   26.690  114.374   34.896   69.091   41.431   93.324   15.519   71.933   21.447 21.39191 26.47297 
1 1 1    3  -16   21 o  186.831   13.929  448.387   64.521  448.387   64.521   0.0000   0.0000  186.831   13.929  ?   ?  0.000000 13.92938 
1 1 1    3  -16   22 o  194.276   14.066  486.379   67.778  580.738  106.395  421.932   87.928  208.773   20.680  177.992   20.137 30.78149 28.86414 
1 1 1    3  -16   23 o  144.946   11.178  269.084   40.148  313.826   52.025  203.206   63.129  155.731   13.512  121.659   21.569 34.07162 25.45186 
1 1 1    3  -16   24 o  116.388   11.883  175.385   34.052  220.872   44.794  113.115   52.410  129.889   14.033   88.992   23.307 40.89740 27.20575 
1 1 1    3  -16   25 o  159.066   11.340  326.827   44.751  375.940   57.899  253.947   70.529  169.324   13.813  134.250   21.785 35.07419 25.79506 
1 1 1    3  -16   26 o  102.999   21.826  154.062   54.393  154.062   54.393   0.0000   0.0000  102.999   21.826  ?   ?  0.000000 21.82564 
1 1 1    3  -16   27 o   41.557   16.043   17.442   23.598   20.436   34.671   14.858   32.210   47.479   19.093   44.454   18.208 3.025303 26.38314 
1 1 1    3  -16   28 o   51.904   17.308   36.984   26.295   36.221   37.347   37.733   37.030   53.688   20.314   54.211   20.288 -0.5229568 28.71037 
1 1 1    3  -16   29 o  104.028   14.140  148.801   35.780  171.342   49.354  123.830   51.947  108.039   18.986   88.046   23.274 19.99294 30.03585 
1 1 1    3  -16   30 o  153.961   15.533  333.082   58.905  650.340  109.769  204.775   69.807  205.251   21.747  109.891   25.868 95.36028 33.79481 
1 1 1    3  -16   31 o   42.785   18.260   12.017   34.463   55.521   84.666   3.3773   37.730   63.021   27.740   41.700   18.428 21.32167 33.30332 
1 1 1    3  -16   32 o   88.910   21.450  131.541   47.077  340.688  102.219   75.238   53.036  125.663   32.374   64.803   24.275 60.85987 40.46429 
1 1 1    3  -15    0 f   75.619   8.5531   72.400   15.867   55.427   20.348   98.735   25.346   65.399   12.918   88.037   11.828 -22.63742 17.51496 
1 1 1    3  -15    1 o  253.854   10.213  806.106   64.743  811.240   90.684  800.768   92.462  254.032   14.354  252.335   14.738 1.697174 20.57267 
1 1 1    3  -15    2 o  239.786   9.8901  719.222   59.221  712.342   82.685  726.470   84.859  238.014   13.973  240.343   14.202 -2.328705 19.92318 
1 1 1    3  -15    3 o  196.041   9.2946  480.692   45.502  497.841   62.984  461.971   65.807  198.952   12.744  191.489   13.856 7.463181 18.82538 
1 1 1    3  -15    4 o  284.840   10.445  1015.45   74.293  975.666  103.798  1057.25  106.381  278.456   14.982  289.930   14.742 -11.47482 21.01896 
1 1 1    3  -15    5 o  242.838   14.194  742.417   85.700  745.301  121.445  739.557  120.953  242.285   20.258  241.343   20.257 0.9420624 28.64854 
1 1 1    3  -15    6 o  476.773   15.124  2856.14  180.063  2883.03  253.849  2828.91  255.454  477.543   21.287  472.945   21.630 4.598206 30.34754 
1 1 1    3  -15    7 o  407.853   13.342  2088.58  135.887  2132.24  191.170  2043.99  193.193  411.012   18.626  402.272   19.232 8.739227 26.77277 
1 1 1    3  -15    8 o  306.603   11.134  1178.97   85.247  1241.42  119.194  1113.59  121.969  314.016   15.200  296.742   16.525 17.27444 22.45285 
1 1 1    3  -15    9 o  438.124   14.149  2416.52  154.798  2391.81  217.608  2441.83  220.250  434.078   20.075  438.581   20.110 -4.502716 28.41524 
1 1 1    3  -15   10 o  232.102   13.438  680.625   77.553  577.710  101.190  827.131  120.734  212.402   19.288  254.490   19.138 -42.08774 27.17170 
1 1 1    3  -15   11 o  136.931   8.9290  236.118   30.365  238.090   40.176  233.491   46.372  137.064   11.855  135.344   13.919 1.720062 18.28292 
1 1 1    3  -15   12 o  470.773   18.063  2822.87  212.352  2752.80  260.134  2962.83  367.641  462.368   22.530  472.177   31.358 -9.808868 38.61225 
1 1 1    3  -15   13 o  196.851   11.003  489.306   53.871  462.460   66.232  541.784   92.602  190.690   14.007  205.233   18.259 -14.54272 23.01295 
1 1 1    3  -15   14 o  303.239   12.160  1160.62   92.082  1304.93  113.496  882.677  157.514  320.923   14.162  259.148   24.636 61.77554 28.41682 
1 1 1    3  -15   15 o  319.186   16.196  1301.28  128.670  1472.97  184.668  1139.28  179.382  336.455   22.102  294.277   24.637 42.17838 33.09811 
1 1 1    3  -15   16 o  438.463   16.554  2454.68  181.248  2603.51  222.634  2162.16  312.115  449.398   19.838  399.103   31.575 50.29498 37.28976 
1 1 1    3  -15   17 o  199.340   10.687  502.435   53.005  550.729   65.988  414.615   88.985  208.186   12.755  178.027   20.384 30.15901 24.04509 
1 1 1    3  -15   18 o  323.492   13.851  1329.17  111.893  1336.58  137.719  1314.78  191.928  322.514   17.162  315.249   24.574 7.265930 29.97351 
1 1 1    3  -15   19 o  182.833   13.581  426.848   61.563  426.848   61.563   0.0000   0.0000  182.833   13.581  ?   ?  0.000000 13.58090 
1 1 1    3  -15   20 o  140.458   18.367  258.457   62.880   0.0000   0.0000  258.457   62.880  ?   ?   140.458   18.367 0.000000 18.36738 
1 1 1    3  -15   21 o  114.528   11.890  167.950   33.510  188.124   42.467  134.659   54.552  120.624   14.382   99.389   22.503 21.23540 26.70627 
1 1 1    3  -15   22 o  171.855   10.986  375.420   46.902  394.804   59.402  343.329   76.430  175.416   13.668  161.326   19.358 14.08995 23.69754 
1 1 1    3  -15   23 o  176.879   11.249  398.691   49.428  439.607   62.788  332.014   80.153  184.888   13.697  157.452   20.902 27.43631 24.98989 
1 1 1    3  -15   24 o  112.884   15.284  167.491   41.978  278.642   78.851  123.530   49.589  142.316   22.969   94.464   21.504 47.85180 31.46452 
1 1 1    3  -15   25 o  262.329   12.030  882.384   78.807  1003.66   99.074  673.460  130.036  277.935   14.323  219.795   24.086 58.13986 28.02312 
1 1 1    3  -15   26 o   85.187   14.360   97.006   29.462  100.626   40.525   92.947   42.908   84.730   19.550   80.868   21.045 3.862152 28.72475 
1 1 1    3  -15   27 o   57.520   17.277   45.516   26.812   57.768   36.955   31.899   38.960   64.240   20.456   53.770   20.652 10.47024 29.06783 
1 1 1    3  -15   28 o   54.703   17.343   41.205   26.586   30.659   38.159   51.153   37.061   52.496   20.363   60.595   20.547 -8.098888 28.92743 
1 1 1    3  -15   29 o   75.495   16.172   80.473   29.570  118.379   42.678   45.474   41.009   89.831   19.578   58.115   21.428 31.71593 29.02532 
1 1 1    3  -15   30 o  173.172   11.987  398.712   51.520  457.868   68.137  319.744   78.724  182.464   15.089  144.581   22.539 37.88211 27.12390 
1 1 1    3  -15   31 o   83.807   20.190  107.872   41.753   81.056   89.778  115.273   47.164   70.532   29.760   85.199   22.012 -14.66647 37.01565 
1 1 1    3  -15   32 o   80.066   20.279  101.179   40.589  105.197   92.137  100.211   45.213   73.043   30.438   78.013   22.166 -4.969582 37.65379 
1 1 1    3  -15   33 o   65.794   21.405   72.621   40.310  123.691   95.530   61.558   44.463   73.427   30.825   60.838   22.331 12.58923 38.06319 
1 1 1    3  -14    0 f  127.832   8.3233  205.121   26.425  197.080   36.525  213.953   38.278  124.939   11.849  130.217   11.903 -5.278252 16.79488 
1 1 1    3  -14    1 o  241.457   13.962  732.662   83.829  732.561  117.048  732.768  120.117  240.684   19.646  240.635   20.175 0.4969788E-01 28.16031 
1 1 1    3  -14    2 o  585.634   18.325  4306.29  267.991  4273.25  378.578  4339.47  379.416  581.727   26.061  586.253   25.917 -4.526184 36.75370 
1 1 1    3  -14    3 o  129.385   8.4024  210.157   27.001  211.493   36.645  208.570   39.937  129.497   11.450  128.454   12.613 1.042892 17.03483 
1 1 1    3  -14    4 o  377.988   13.050  1789.55  123.178  1762.86  173.454  1816.70  174.957  374.558   18.544  380.250   18.425 -5.692078 26.14155 
1 1 1    3  -14    5 f  320.879   11.874  1289.23   95.147  1311.28  133.755  1266.64  135.375  322.750   16.652  317.115   17.159 5.635101 23.91085 
1 1 1    3  -14    6 o  185.231   9.0552  429.178   41.885  419.948   57.515  439.600   61.118  182.633   12.690  186.817   13.186 -4.184189 18.30007 
1 1 1    3  -14    7 o   86.594   13.360   96.219   27.960  103.600   41.220   89.929   38.054   89.010   19.115   82.876   18.817 6.133385 26.82298 
1 1 1    3  -14    8 o  253.427   9.8040  804.124   62.045  783.703   86.096  826.188   89.492  249.465   13.875  256.132   14.045 -6.666977 19.74317 
1 1 1    3  -14    9 o  346.711   11.745  1507.74  101.690  1407.99  142.292  1611.87  145.382  333.771   17.130  357.740   16.274 -23.96909 23.62760 
1 1 1    3  -14   10 o   94.169   9.3551  112.177   21.708  131.695   28.060   83.082   34.260  101.849   11.219   79.569   17.699 22.28004 20.95510 
1 1 1    3  -14   11 o  184.781   9.6431  429.224   44.342  395.892   60.166  468.853   65.604  176.809   13.735  192.501   13.737 -15.69191 19.42573 
1 1 1    3  -14   12 o   73.443   14.408   70.366   25.481   57.036   27.621  146.541   66.029   65.863   16.754  104.593   25.509 -38.73006 30.51860 
1 1 1    3  -14   13 o  121.563   9.7805  186.717   29.439  185.581   36.578  188.808   49.601  120.775   12.300  120.860   16.896 -0.8475494E-01 20.89912 
1 1 1    3  -14   14 o  210.523   10.244  557.151   53.856  629.619   66.675  421.105   91.354  223.200   12.007  180.076   20.691 43.12343 23.92239 
1 1 1    3  -14   15 o   64.317   12.081   53.845   18.691   38.113   23.652   80.007   30.501   54.381   16.203   77.939   16.200 -23.55807 22.91212 
1 1 1    3  -14   16 o  238.792   11.048  718.531   65.877  775.504   81.548  611.507  111.768  247.243   13.256  216.855   20.898 30.38811 24.74801 
1 1 1    3  -14   17 o  267.409   11.769  902.704   78.588  907.762   97.111  893.106  133.777  266.987   14.621  262.324   20.587 4.663055 25.25091 
1 1 1    3  -14   18 o  140.690   10.419  250.716   36.345  271.990   45.821  214.623   59.682  146.084   12.686  127.840   19.296 18.24461 23.09275 
1 1 1    3  -14   19 o  139.558   10.199  246.658   35.296  302.649   45.132  158.477   56.638  154.321   11.801  108.740   21.619 45.58140 24.63037 
1 1 1    3  -14   20 o  225.244   13.670  646.521   76.527  646.521   76.527   0.0000   0.0000  225.244   13.670  ?   ?  0.000000 13.66999 
1 1 1    3  -14   21 o  230.538   20.440  695.109  116.454  695.109  116.454   0.0000   0.0000  230.538   20.440  ?   ?  0.000000 20.44042 
1 1 1    3  -14   22 o  112.086   11.200  160.415   30.928  225.929   40.461   68.324   47.971  132.932   12.329   72.445   23.331 60.48742 26.38828 
1 1 1    3  -14   23 o   88.459   12.695  101.387   27.239  137.699   36.464   55.540   40.973  102.833   14.611   65.846   21.588 36.98678 26.06731 
1 1 1    3  -14   24 f  190.581   10.747  461.602   50.937  546.338   65.318  330.107   81.368  206.684   12.717  156.922   21.316 49.76169 24.82153 
1 1 1    3  -14   25 o   42.730   17.062   13.273   27.474   44.722   68.092   7.1576   30.027   68.196   26.977   41.852   17.403 26.34443 32.10328 
1 1 1    3  -14   26 o  100.655   12.400  131.789   30.508  155.829   41.429  103.312   45.092  108.330   15.778   85.961   21.150 22.36850 26.38735 
1 1 1    3  -14   27 o  120.276   11.508  187.380   34.144  271.543   46.105   85.164   50.810  144.349   12.927   77.165   23.905 67.18339 27.17628 
1 1 1    3  -14   28 o  156.327   11.147  316.550   43.232  409.070   57.168  192.969   66.071  176.663   13.051  114.526   23.876 62.13723 27.21020 
1 1 1    3  -14   29 f  146.850   21.688  312.606   77.138  312.606   77.138   0.0000   0.0000  146.850   21.688  ?   ?  0.000000 21.68762 
1 1 1    3  -14   30 o   63.318   16.663   57.084   26.704   74.824   39.333   41.914   36.371   70.797   20.845   56.017   20.252 14.78026 29.06280 
1 1 1    3  -14   31 o   86.842   14.696  104.565   30.734  137.619   44.302   73.899   42.672   96.947   18.979   69.341   21.971 27.60548 29.03267 
1 1 1    3  -14   32 o   76.178   19.761   88.542   37.912  160.647   90.318   73.119   41.771   89.527   31.967   68.271   21.749 21.25549 38.66354 
1 1 1    3  -14   33 o   56.890   20.032   48.561   35.349  100.110   90.414   39.260   38.406   72.481   30.174   53.439   20.509 19.04252 36.48394 
1 1 1    3  -14   34 o   46.674   19.082   24.582   35.298  141.576   97.095   6.7655   37.891   77.292   31.630   42.206   18.568 35.08624 36.67749 
1 1 1    3  -13    0 o  120.580   8.0117  182.520   23.987  176.607   33.234  188.949   34.656  118.267   11.394  122.356   11.476 -4.088898 16.17175 
1 1 1    3  -13    1 o  518.473   16.057  3369.82  207.900  3186.96  293.512  3553.93  294.519  503.092   23.363  531.486   22.191 -28.39377 32.22194 
1 1 1    3  -13    2 o  850.287   37.318  9224.39  792.373  9504.26  1120.39  8944.33  1120.78  852.535   52.888  825.686   54.666 26.84930 76.06252 
1 1 1    3  -13    3 o  499.879   16.991  3134.40  212.103  3357.89  366.309  3021.68  260.151  514.454   28.627  490.171   21.253 24.28302 35.65386 
1 1 1    3  -13    4 o  190.954   8.7404  455.856   41.679  447.417   57.927  464.914   60.013  188.657   12.364  192.305   12.566 -3.647430 17.62894 
1 1 1    3  -13    5 f  187.083   8.5043  437.559   39.731  418.813   54.806  458.322   57.679  182.516   12.093  190.961   12.159 -8.444336 17.14884 
1 1 1    3  -13    6 o  362.843   12.341  1648.51  111.822  1610.48  157.350  1687.32  158.943  358.110   17.595  366.580   17.363 -8.470581 24.71981 
1 1 1    3  -13    7 o  224.695   8.8135  631.390   49.453  610.391   68.476  654.282   71.495  220.400   12.493  228.199   12.595 -7.799088 17.74001 
1 1 1    3  -13    8 o  828.233   36.696  8830.37  758.971  8550.44  1073.18  9110.48  1073.52  799.610   54.063  827.287   52.232 -27.67633 75.17332 
1 1 1    3  -13    9 o  235.685   9.1417  695.094   53.803  685.281   74.280  705.925   78.037  233.423   12.792  236.862   13.246 -3.438934 18.41468 
1 1 1    3  -13   10 o  178.260   8.7282  397.684   38.853  401.895   52.819  392.718   57.354  178.631   11.909  176.408   13.113 2.223495 17.71410 
1 1 1    3  -13   11 o  543.031   16.927  3719.30  229.538  3811.48  323.847  3626.25  325.391  547.079   23.705  533.295   24.434 13.78424 34.04295 
1 1 1    3  -13   12 o  292.588   11.048  1074.28   80.719  1130.89  112.491  1014.19  115.894  299.176   15.106  282.958   16.473 16.21790 22.35054 
1 1 1    3  -13   13 o  329.510   24.270  1400.99  198.300  1400.99  198.300   0.0000   0.0000  329.510   24.270  ?   ?  0.000000 24.27011 
1 1 1    3  -13   14 o  263.737   11.733  875.108   77.271  953.747   95.237  723.604  132.190  274.564   13.936  236.403   22.670 38.16112 26.61098 
1 1 1    3  -13   15 o  245.089   11.497  756.195   70.363  803.673   86.801  665.204  120.165  251.833   13.856  226.648   21.488 25.18542 25.56797 
1 1 1    3  -13   16 o   81.064   10.756   84.111   21.236  104.535   27.160   51.985   34.064   90.214   12.383   63.606   19.551 26.60795 23.14259 
1 1 1    3  -13   17 o  239.826   10.619  724.069   63.599  832.787   78.971  523.428  107.282  256.840   12.313  200.238   21.808 56.60167 25.04358 
1 1 1    3  -13   18 o   98.401   13.344  124.702   31.945  176.120   54.125   97.217   39.572  115.650   19.430   85.450   19.033 30.19982 27.19910 
1 1 1    3  -13   19 o  136.420   17.472  241.686   58.152   0.0000   0.0000  241.686   58.152  ?   ?   136.420   17.472 0.000000 17.47173 
1 1 1    3  -13   20 o  184.499   10.503  430.335   48.190  477.327   60.298  347.259   80.174  193.852   12.523  162.893   20.139 30.95903 23.71473 
1 1 1    3  -13   21 o  259.365   11.285  849.419   73.089  980.571   91.182  613.691  122.244  278.121   13.129  215.621   23.061 62.49971 26.53595 
1 1 1    3  -13   22 o  156.398   18.254  318.781   69.952  318.781   69.952   0.0000   0.0000  156.398   18.254  ?   ?  0.000000 18.25437 
1 1 1    3  -13   23 o  245.051   11.280  759.371   69.028  917.332   86.743  486.609  113.986  268.805   12.922  190.461   24.537 78.34392 27.73145 
1 1 1    3  -13   24 o  139.878   11.082  249.079   38.393  269.396   49.904  219.614   60.098  144.710   13.984  128.776   19.282 15.93349 23.81873 
1 1 1    3  -13   25 o  427.693   15.457  2352.01  165.083  2698.94  204.292  1699.19  280.238  455.862   17.946  345.391   32.888 110.4708 37.46601 
1 1 1    3  -13   26 o  187.034   11.099  446.151   51.605  515.851   66.599  341.426   81.636  200.225   13.397  159.160   21.057 41.06477 24.95742 
1 1 1    3  -13   27 o   53.486   16.226   37.816   23.562   63.538   38.272   22.116   29.901   68.221   20.675   47.436   18.122 20.78535 27.49336 
1 1 1    3  -13   28 o  118.942   11.575  183.257   33.944  240.222   47.132  121.870   48.927  135.189   14.172   92.691   21.547 42.49789 25.78974 
1 1 1    3  -13   29 f   58.264   16.430   46.714   24.939   69.329   37.719   29.148   33.242   69.831   20.371   50.976   19.194 18.85528 27.98881 
1 1 1    3  -13   30 o   60.115   21.798   47.844   42.183   47.844   42.183   0.0000   0.0000   60.115   21.798  ?   ?  0.000000 21.79823 
1 1 1    3  -13   31 o   54.550   16.984   41.521   25.613   39.364   38.762   43.194   34.124   55.550   20.763   56.290   19.691 -0.7402229 28.61542 
1 1 1    3  -13   32 o  117.756   12.375  185.400   35.845  295.807   52.319   87.731   49.209  147.368   14.401   74.588   23.589 72.77967 27.63770 
1 1 1    3  -13   33 o   29.150   13.301 -10.2852   21.485   4.8018   38.354 -17.1840   25.936   43.149   18.839   30.541   14.179 12.60747 23.57842 
1 1 1    3  -13   34 o   50.195   18.816   33.778   31.876   77.677   91.891   27.773   33.986   68.490   29.534   48.285   19.072 20.20483 35.15692 
1 1 1    3  -13   35 o   60.104   20.799   58.112   38.026   68.947   98.635   56.221   41.211   64.815   29.141   59.212   21.534 5.602516 36.23423 
1 1 1    3  -12    0 o  564.622   17.901  4001.05  252.396  3968.41  356.741  4033.77  357.143  560.839   25.472  565.480   25.291 -4.641052 35.89549 
1 1 1    3  -12    1 o  200.282   8.9165  501.473   44.595  474.533   62.513  529.390   63.636  194.264   12.961  205.283   12.473 -11.01910 17.98750 
1 1 1    3  -12    2 o  240.762   9.6192  724.805   57.833  735.179   81.400  714.230   82.183  241.935   13.528  238.416   13.864 3.519272 19.36992 
1 1 1    3  -12    3 o  476.639   15.230  2846.76  181.278  2682.23  255.824  3012.71  256.913  461.736   22.187  489.546   21.016 -27.80923 30.55997 
1 1 1    3  -12    4 o  252.335   14.884  800.511   93.372  903.295  130.809  693.741  133.322  267.446   19.726  233.624   23.158 33.82188 30.41990 
1 1 1    3  -12    5 o  890.211   26.975 10009.75  599.668  9733.77  847.462 10286.51  848.657  872.463   38.898  897.446   37.868 -24.98303 54.28638 
1 1 1    3  -12    6 o  167.809   8.3321  352.007   34.916  366.341   48.197  336.177   50.650  170.731   11.370  163.399   12.508 7.331406 16.90338 
1 1 1    3  -12    7 o  262.527   10.054  862.070   65.914  879.223   92.384  844.285   94.071  264.534   14.035  259.142   14.596 5.391571 20.24943 
1 1 1    3  -12    8 o  419.264   13.418  2202.39  140.480  2155.79  197.903  2249.71  199.443  414.068   19.140  423.031   18.880 -8.962921 26.88433 
1 1 1    3  -12    9 o  184.733   8.5392  426.766   39.392  424.136   54.031  429.750   57.555  183.652   11.844  184.789   12.547 -1.136612 17.25435 
1 1 1    3  -12   10 o  489.179   21.889  3023.14  267.388  3410.33  379.596  2641.82  376.707  516.296   29.565  452.595   33.570 63.70007 44.73297 
1 1 1    3  -12   11 o  394.743   11.694  1953.19  115.276  1975.33  161.746  1930.34  164.336  396.238   16.347  391.616   16.804 4.622528 23.44347 
1 1 1    3  -12   12 o  505.504   15.551  3216.33  196.306  3241.94  276.728  3190.39  278.518  505.520   21.921  501.367   22.246 4.152893 31.23159 
1 1 1    3  -12   13 o  364.706   14.478  1674.36  131.853  1746.13  161.857  1532.77  227.339  371.761   17.435  344.689   26.618 27.07263 31.81954 
1 1 1    3  -12   14 o  119.923   9.5986  181.465   28.504  196.607   35.593  154.391   47.594  124.576   11.574  108.993   18.123 15.58342 21.50327 
1 1 1    3  -12   15 o  248.704   20.430  794.323  125.763  794.323  125.763   0.0000   0.0000  248.704   20.430  ?   ?  0.000000 20.43036 
1 1 1    3  -12   16 o  161.522   9.8601  328.855   39.580  329.939   49.224  326.872   66.575  161.367   12.309  159.572   16.968 1.794861 20.96182 
1 1 1    3  -12   17 o  253.034   10.868  805.682   68.673  907.020   85.105  616.551  116.265  268.093   12.712  217.883   21.655 50.20938 25.11087 
1 1 1    3  -12   18 o  236.581   11.065  704.921   65.373  781.162   81.184  564.306  110.253  248.274   13.141  208.199   21.516 40.07487 25.21215 
1 1 1    3  -12   19 o  128.562   12.875  210.947   40.777  210.947   40.777   0.0000   0.0000  128.562   12.875  ?   ?  0.000000 12.87457 
1 1 1    3  -12   20 o  195.612   10.460  483.236   50.912  533.287   63.887  396.140   84.276  205.026   12.538  174.464   19.689 30.56230 23.34205 
1 1 1    3  -12   21 o   97.645   11.109  121.759   26.606  115.613   34.472  130.815   41.842   94.219   15.166   99.769   17.429 -5.550026 23.10339 
1 1 1    3  -12   22 o  197.919   10.437  495.027   51.401  589.433   65.000  337.462   83.974  215.581   12.123  159.957   21.573 55.62474 24.74611 
1 1 1    3  -12   23 o  252.351   11.565  804.843   72.881  889.585   91.034  653.572  121.627  264.272   13.842  222.898   22.144 41.37398 26.11474 
1 1 1    3  -12   24 o  264.087   22.108  917.835  144.458  917.835  144.458   0.0000   0.0000  264.087   22.108  ?   ?  0.000000 22.10837 
1 1 1    3  -12   25 o   83.611   12.730   90.714   25.741  127.823   35.917   51.525   36.909   98.956   15.005   63.405   20.470 35.55082 25.38048 
1 1 1    3  -12   26 o  349.446   13.612  1559.20  118.778  1753.03  147.814  1205.94  199.554  368.944   16.044  296.711   27.236 72.23306 31.61059 
1 1 1    3  -12   27 f  200.917   10.778  513.883   53.876  616.993   69.402  357.505   85.469  219.399   12.722  162.707   21.567 56.69229 25.03944 
1 1 1    3  -12   28 o   36.189   15.168   4.0425   23.071   19.822   65.777   1.8290   24.636   60.754   25.545   36.415   15.488 24.33807 29.87319 
1 1 1    3  -12   29 o   48.058   15.727   29.606   21.750   64.605   34.264   5.9884   28.147   68.236   19.265   39.962   16.752 28.27344 25.52919 
1 1 1    3  -12   30 o   99.064   12.827  129.508   30.986  170.472   44.019   89.270   43.627  112.238   16.172   78.594   21.573 33.64347 26.96192 
1 1 1    3  -12   31 o   39.601   15.514   14.326   22.318   33.893   35.612   1.6704   28.640   53.195   19.898   38.270   16.495 14.92485 25.84645 
1 1 1    3  -12   32 o  131.504   11.759  227.924   38.206  378.874   54.635   83.455   53.449  168.791   13.064   73.648   24.676 95.14213 27.92074 
1 1 1    3  -12   33 o   28.767   13.166 -11.5520   21.260   16.267   37.661 -24.5623   25.756   46.706   19.461   28.906   13.644 17.80026 23.76776 
1 1 1    3  -12   34 o   68.848   17.083   69.210   29.231  136.416   46.598   25.607   37.534   94.954   20.269   49.230   19.842 45.72443 28.36406 
1 1 1    3  -12   35 o   66.220   20.141   68.535   36.271  187.454   95.281   48.381   39.224   92.986   32.872   57.239   20.979 35.74722 38.99632 
1 1 1    3  -12   36 o   65.391   20.862   69.982   38.422  251.059  102.813   40.588   41.423  102.508   34.225   53.570   21.089 48.93852 40.20023 
1 1 1    3  -11    0 o   88.066   11.165   98.598   24.002  100.528   33.279   96.506   34.649   88.232   15.679   86.252   16.690 1.980736 22.89938 
1 1 1    3  -11    1 o  260.409   10.129  848.188   65.866  869.733   92.938  826.448   93.361  263.095   14.198  256.393   14.642 6.702057 20.39593 
1 1 1    3  -11    2 o  831.369   25.453  8721.11  528.432  8626.23  747.048  8816.13  747.583  822.366   36.377  831.549   36.002 -9.182983 51.18038 
1 1 1    3  -11    3 o  517.443   15.868  3356.32  205.040  3196.90  289.532  3516.73  290.411  503.909   23.009  528.703   21.996 -24.79379 31.83145 
1 1 1    3  -11    4 o  239.312   9.5567  716.078   57.111  704.093   80.243  728.383   81.302  236.739   13.631  240.807   13.575 -4.068039 19.23791 
1 1 1    3  -11    5 o  279.680   9.9916  978.156   69.783  820.863   97.924  1140.46   99.471  255.479   15.421  301.822   13.198 -46.34357 20.29765 
1 1 1    3  -11    6 o  101.171   12.558  130.069   31.044  153.756   40.281   95.421   48.717  109.759   15.096   85.548   22.503 24.21080 27.09709 
1 1 1    3  -11    7 o  584.403   17.587  4285.41  256.665  4179.49  362.432  4391.97  363.529  575.640   25.213  590.219   24.665 -14.57892 35.27102 
1 1 1    3  -11    8 o  136.852   8.8576  235.130   30.108  245.135   41.303  223.784   43.982  139.438   11.978  133.004   13.426 6.434326 17.99253 
1 1 1    3  -11    9 o  349.205   12.142  1526.68  105.878  1545.09  149.001  1507.90  150.477  350.852   17.007  346.122   17.466 4.730286 24.37789 
1 1 1    3  -11   10 o  220.307   9.4028  607.090   51.729  616.306   71.933  597.219   74.444  221.406   13.068  217.858   13.754 3.548065 18.97258 
1 1 1    3  -11   11 o  238.083   13.102  712.704   77.597  885.132  111.809  552.478  107.780  264.829   16.996  208.261   21.011 56.56886 27.02522 
1 1 1    3  -11   12 o  104.379   8.4089  137.174   21.732  150.081   28.649  119.681   33.353  108.951   10.667   96.619   14.252 12.33229 17.80133 
1 1 1    3  -11   13 o  143.121   8.8859  257.378   31.601  252.139   42.832  263.637   46.814  141.243   12.266  144.328   13.133 -3.085114 17.96969 
1 1 1    3  -11   14 o  309.165   12.116  1199.98   93.541  1377.35  115.265  857.828  160.090  330.933   13.948  257.943   25.174 72.99023 28.78009 
1 1 1    3  -11   15 o   87.532   10.103   97.355   21.678  109.691   27.511   77.150   35.210   92.646   12.187   76.524   18.606 16.12165 22.24178 
1 1 1    3  -11   16 o  113.934   16.490  167.587   45.553  167.587   45.553   0.0000   0.0000  113.934   16.490  ?   ?  0.000000 16.49026 
1 1 1    3  -11   17 o  317.725   12.575  1272.07   99.769  1403.81  122.983  1018.48  170.629  333.191   14.781  279.706   24.682 53.48514 28.76924 
1 1 1    3  -11   18 o  286.006   22.331  1059.90  158.225   0.0000   0.0000  1059.90  158.225  ?   ?   286.006   22.331 0.000000 22.33084 
1 1 1    3  -11   19 o  112.035   10.067  159.065   27.864  199.163   35.460   94.338   45.052  125.218   11.467   84.014   21.411 41.20435 24.28895 
1 1 1    3  -11   20 o   78.010   11.493   78.315   21.719   76.177   28.367   81.344   33.762   76.124   15.451   78.326   17.680 -2.202629 23.48013 
1 1 1    3  -11   21 o  196.465   12.338  489.443   60.224  656.432   91.739  362.977   79.836  226.419   16.335  167.037   19.507 59.38213 25.44307 
1 1 1    3  -11   22 o  147.834   10.065  276.340   36.935  332.242   47.465  190.538   58.805  161.799   11.830  120.057   20.341 41.74201 23.53033 
1 1 1    3  -11   23 o  136.654   10.031  236.372   33.991  297.446   44.341  149.342   52.932  153.036   11.691  105.786   20.779 47.25006 23.84214 
1 1 1    3  -11   24 o  165.453   10.979  346.946   45.103  339.445   57.422  359.027   72.876  162.820   14.267  166.361   17.819 -3.541824 22.82683 
1 1 1    3  -11   25 o  194.137   19.377  491.747   92.683  491.747   92.683   0.0000   0.0000  194.137   19.377  ?   ?  0.000000 19.37684 
1 1 1    3  -11   26 f  188.667   9.9888  450.326   46.893  610.824   61.100  220.290   73.149  219.464   11.186  127.305   23.887 92.15951 26.37647 
1 1 1    3  -11   27 o  226.023   11.171  647.452   63.054  739.537   80.162  498.030  102.113  240.432   13.405  193.413   21.506 47.01862 25.34155 
1 1 1    3  -11   28 o  121.157   10.805  187.746   32.348  297.561   44.971   70.013   46.564  152.396   11.912   72.239   22.957 80.15709 25.86377 
1 1 1    3  -11   29 o   27.191   12.512 -13.9333   19.560 -23.4750   65.045 -12.9847   20.509   51.704   23.416   28.297   12.944 23.40660 26.75522 
1 1 1    3  -11   30 o   78.102   13.884   81.324   26.087  149.793   39.090   26.347   35.028  106.074   15.191   50.939   19.578 55.13499 24.78027 
1 1 1    3  -11   31 o  194.663   10.869  488.751   52.625  624.661   69.469  305.738   80.613  218.844   12.767  145.997   22.861 72.84726 26.18491 
1 1 1    3  -11   32 o   83.870   14.202   95.247   28.683  152.631   43.161   49.861   38.385  105.060   17.035   60.443   20.899 44.61678 26.96180 
1 1 1    3  -11   33 o   56.421   22.375   35.871   46.948   35.871   46.948   0.0000   0.0000   56.421   22.375  ?   ?  0.000000 22.37455 
1 1 1    3  -11   34 o   64.324   17.325   59.708   28.452   42.555   45.035   71.103   36.706   57.593   22.182   69.037   20.083 -11.44351 29.92283 
1 1 1    3  -11   35 o   36.084   15.320   5.1744   24.030   47.206   43.547 -13.2263   28.813   58.222   21.959   33.463   15.320 24.75926 26.77456 
1 1 1    3  -11   36 o   43.627   17.964   16.988   31.561  143.732   93.672   0.7568   33.521   82.543   31.935   39.419   17.398 43.12455 36.36687 
1 1 1    3  -11   37 o  108.957   18.835  181.841   49.394  258.932  111.672  163.090   55.075  100.566   35.584   98.726   22.800 1.840340 42.26156 
1 1 1    3  -10    0 o  485.263   15.302  2955.67  185.425  2908.85  262.061  3002.60  262.400  480.099   21.859  487.849   21.539 -7.750153 30.68760 
1 1 1    3  -10    1 o  471.852   21.820  2806.75  257.108  2735.68  363.352  2878.02  363.861  462.391   31.658  474.598   30.869 -12.20682 44.21728 
1 1 1    3  -10    2 o  386.176   18.636  1873.98  179.718  1927.17  254.118  1820.76  254.200  389.545   26.277  378.389   27.081 11.15576 37.73413 
1 1 1    3  -10    3 o  275.907   10.240  952.187   70.554  871.447   99.376  1034.25  100.187  263.235   15.182  287.330   13.963 -24.09445 20.62680 
1 1 1    3  -10    4 o  340.158   11.880  1448.00  100.917  1380.61  142.342  1516.10  143.096  331.286   17.266  347.700   16.481 -16.41397 23.86870 
1 1 1    3  -10    5 o  336.781   11.518  1419.08   96.868  1263.82  136.394  1577.09  137.599  316.952   17.298  354.740   15.533 -37.78815 23.24855 
1 1 1    3  -10    6 o  204.954   9.0282  525.133   46.207  468.487   64.710  584.065   66.002  192.967   13.514  215.685   12.305 -22.71761 18.27711 
1 1 1    3  -10    7 f  260.397   13.927  851.529   90.230  774.022  125.643  934.076  129.662  247.354   20.526  272.086   19.207 -24.73123 28.11098 
1 1 1    3  -10    8 o  298.283   10.933  1112.97   81.440  1094.97  114.588  1131.35  115.767  295.168   15.601  300.058   15.503 -4.889130 21.99427 
1 1 1    3  -10    9 o  536.185   16.933  3606.41  226.727  3451.84  320.063  3762.11  321.220  523.240   24.495  546.452   23.540 -23.21277 33.97259 
1 1 1    3  -10   10 o  163.753   8.6493  336.182   35.244  364.857   48.524  304.165   51.273  170.363   11.473  155.268   13.354 15.09506 17.60528 
1 1 1    3  -10   11 o  279.706   9.8015  978.661   68.461  1011.46   95.797  944.424   97.874  284.118   13.502  274.108   14.348 10.00952 19.70246 
1 1 1    3  -10   12 o  471.220   15.033  2786.39  176.896  2801.92  249.504  2770.69  250.840  471.371   21.197  468.684   21.432 2.686371 30.14349 
1 1 1    3  -10   13 o  227.656   12.884  651.954   72.947  791.195  105.663  525.156  100.831  250.223   17.011  203.049   20.152 47.17365 26.37185 
1 1 1    3  -10   14 o  203.861   9.7381  520.411   49.574  608.854   61.501  356.337   83.767  220.117   11.226  166.651   20.565 53.46591 23.42933 
1 1 1    3  -10   15 o  427.399   15.498  2300.56  165.413  2524.60  203.260  1861.24  284.635  446.996   18.209  378.757   30.349 68.23877 35.39244 
1 1 1    3  -10   16 o  256.150   10.906  823.399   69.763  937.160   86.284  608.633  118.553  273.034   12.655  217.467   22.140 55.56686 25.50113 
1 1 1    3  -10   17 o  245.638   11.312  758.189   69.387  744.338   85.694  784.559  118.239  242.537   14.211  247.678   19.269 -5.141510 23.94220 
1 1 1    3  -10   18 o  278.131   21.886  997.807  150.778  997.807  150.778   0.0000   0.0000  278.131   21.886  ?   ?  0.000000 21.88568 
1 1 1    3  -10   19 o   67.944   11.758   59.769   19.227   53.946   25.049   68.118   29.997   63.983   15.777   71.804   16.993 -7.821751 23.18806 
1 1 1    3  -10   20 o  331.125   12.966  1384.59  107.214  1545.75  132.417  1077.84  182.686  349.136   15.188  286.413   25.820 62.72272 29.95569 
1 1 1    3  -10   21 o  221.307   10.956  616.787   60.547  673.405   75.532  515.003  101.274  230.440   13.180  199.092   20.671 31.34743 24.51595 
1 1 1    3  -10   22 o  223.474   12.741  633.150   70.808  829.675  106.871  479.380   94.534  254.525   16.911  192.128   19.997 62.39641 26.18851 
1 1 1    3  -10   23 o  113.966   10.259  164.799   28.885  201.572   38.040  114.724   44.390  125.742   12.271   92.789   19.763 32.95236 23.26241 
1 1 1    3  -10   24 o  196.077   10.336  485.570   50.428  557.879   63.933  366.506   82.038  209.738   12.260  167.521   20.007 42.21637 23.46433 
1 1 1    3  -10   25 o   95.188   11.360  115.974   26.470  152.739   36.136   73.405   38.884  108.927   13.580   74.146   20.373 34.78158 24.48390 
1 1 1    3  -10   26 o  206.160   14.477  543.607   74.059  543.607   74.059   0.0000   0.0000  206.160   14.477  ?   ?  0.000000 14.47721 
1 1 1    3  -10   27 o  249.152   11.002  784.844   68.451  963.797   87.205  497.600  110.483  275.540   12.674  193.052   23.395 82.48795 26.60772 
1 1 1    3  -10   28 o  125.846   10.851  201.944   33.766  281.817   46.809  115.293   48.755  148.281   12.766   91.848   21.616 56.43245 25.10455 
1 1 1    3  -10   29 o   56.838   15.499   43.091   22.605   59.618   34.149   30.202   30.158   66.535   19.375   51.407   18.460 15.12790 26.76113 
1 1 1    3  -10   30 o   86.187   13.292   97.591   27.687  116.029   40.348   81.182   38.063   92.418   18.131   76.657   19.759 15.76012 26.81665 
1 1 1    3  -10   31 o  188.077   12.982  459.273   60.597  789.869  105.773  297.757   73.932  243.250   17.530  146.872   20.735 96.37831 27.15204 
1 1 1    3  -10   32 o   62.001   16.079   53.012   25.105   82.946   39.008   31.848   32.801   76.245   20.175   52.009   19.166 24.23617 27.82716 
1 1 1    3  -10   33 o   84.212   14.232   96.017   28.862  158.964   43.960   48.329   38.263  107.312   16.969   59.790   20.854 47.52225 26.88575 
1 1 1    3  -10   34 o  107.158   24.928  178.593   65.450  178.593   65.450   0.0000   0.0000  107.158   24.928  ?   ?  0.000000 24.92838 
1 1 1    3  -10   35 o   43.010   16.437   20.224   24.604   80.388   45.206  -5.1009   29.329   72.308   22.572   36.208   16.112 36.09995 27.73283 
1 1 1    3  -10   36 o   29.441   13.519 -12.5432   22.672   4.9276   44.159 -18.7969   26.420   45.705   20.078   30.538   14.221 15.16675 24.60419 
1 1 1    3  -10   37 o   70.289   18.078   74.484   31.910  179.190   55.686   23.292   38.937  106.706   21.639   48.269   19.923 58.43661 29.41358 
1 1 1    3   -9    0 o  156.855   8.1598  308.610   31.851  303.734   44.976  313.516   45.113  155.232   11.688  157.745   11.532 -2.512802 16.41981 
1 1 1    3   -9    1 o  365.554   12.400  1675.19  113.196  1568.04  159.861  1782.95  160.306  352.391   18.229  376.457   17.052 -24.06503 24.96128 
1 1 1    3   -9    2 o  317.774   11.357  1264.61   90.119  1219.06  127.260  1310.42  127.635  311.064   16.441  323.026   15.823 -11.96194 22.81839 
1 1 1    3   -9    3 o  152.255   11.107  291.704   41.939  229.553   58.781  356.147   59.855  133.969   18.028  167.925   14.413 -33.95578 23.08151 
1 1 1    3   -9    4 o  609.157   19.035  4663.48  289.557  4608.58  409.255  4718.51  409.737  603.535   27.154  610.775   26.864 -7.240723 38.19748 
1 1 1    3   -9    5 o  327.910   11.335  1345.42   92.814  1314.17  130.906  1377.01  131.615  323.311   16.266  331.394   15.904 -8.083405 22.74906 
1 1 1    3   -9    6 o  278.787   10.372  972.067   72.209  940.571  101.684  1004.11  102.561  273.583   14.940  282.741   14.575 -9.157776 20.87234 
1 1 1    3   -9    7 o  153.638   7.8379  295.767   29.971  234.183   41.459  363.184   43.378  136.242   12.319  170.107   10.260 -33.86455 16.03185 
1 1 1    3   -9    8 o  244.493   9.5798  747.395   58.489  629.257   81.974  869.907   83.478  223.646   14.761  263.636   12.680 -39.98953 19.45933 
1 1 1    3   -9    9 o  290.574   15.728  1061.25  113.700  1097.54  159.044  1023.33  162.606  294.635   21.771  284.215   23.111 10.42035 31.75012 
1 1 1    3   -9   10 o  367.061   12.461  1686.41  114.222  1735.59  161.118  1636.72  161.952  371.947   17.347  361.135   17.958 10.81119 24.96812 
1 1 1    3   -9   11 o  627.252   18.767  4941.87  293.952  4943.75  415.288  4940.00  416.136  625.503   26.587  625.248   26.652 0.2554932 37.64580 
1 1 1    3   -9   12 o  135.640   8.8963  231.043   29.967  208.177   40.767  257.922   44.199  128.283   12.901  142.975   12.505 -14.69176 17.96699 
1 1 1    3   -9   13 o  765.663   22.987  7402.58  439.512  7445.35  621.102  7359.68  622.026  763.578   32.573  759.046   32.816 4.532288 46.23756 
1 1 1    3   -9   14 o  280.677   14.658  991.613  102.380  1115.58  146.865  874.420  142.793  296.780   19.933  262.150   22.016 34.62955 29.69902 
1 1 1    3   -9   15 o  349.908   13.289  1536.76  116.117  1683.92  142.866  1250.33  199.314  365.912   15.635  312.372   25.782 53.53943 30.15232 
1 1 1    3   -9   16 o  131.742   10.477  218.903   34.182  164.429   42.483  318.909   57.562  113.268   15.420  158.550   14.706 -45.28162 21.30850 
1 1 1    3   -9   17 o  103.416   16.783  138.448   41.856   0.0000   0.0000  138.448   41.856  ?   ?   103.416   16.783 0.000000 16.78302 
1 1 1    3   -9   18 o  312.058   12.261  1224.85   95.549  1428.20  117.927  836.225  163.025  336.587   14.030  253.375   26.141 83.21275 29.66828 
1 1 1    3   -9   19 o  394.626   28.039  2038.81  274.516  2038.81  274.516   0.0000   0.0000  394.626   28.039  ?   ?  0.000000 28.03933 
1 1 1    3   -9   20 o  115.657   10.261  169.403   29.329  161.667   37.553  181.499   46.959  112.342   13.668  118.544   16.294 -6.201859 21.26745 
1 1 1    3   -9   21 o  229.564   11.144  663.430   63.884  686.935   79.375  620.207  107.637  232.716   13.719  219.185   19.882 13.53044 24.15578 
1 1 1    3   -9   22 o  233.870   10.583  688.303   61.809  789.131   77.189  508.106  103.189  250.059   12.361  197.587   21.247 52.47212 24.58155 
1 1 1    3   -9   23 o  134.118   9.6823  227.295   32.210  269.994   42.005  166.355   50.180  145.875   11.628  112.657   18.478 33.21784 21.83192 
1 1 1    3   -9   24 o  165.147   12.492  346.509   51.137  448.115   82.288  282.585   65.270  186.371   17.901  147.579   18.090 38.79158 25.44980 
1 1 1    3   -9   25 o  354.426   13.208  1590.55  116.900  1837.67  145.003  1131.72  197.582  380.074   15.278  291.250   27.492 88.82419 31.45144 
1 1 1    3   -9   26 o  115.397   10.600  169.245   30.204  235.609   41.129   91.556   44.499  135.965   12.245   82.498   21.413 53.46746 24.66720 
1 1 1    3   -9   27 o  119.856   10.974  182.829   32.481  219.585   44.164  139.525   47.937  130.799   13.726  102.386   19.461 28.41312 23.81404 
1 1 1    3   -9   28 o  120.598   20.034  193.472   58.217  193.472   58.217   0.0000   0.0000  120.598   20.034  ?   ?  0.000000 20.03421 
1 1 1    3   -9   29 o   75.675   13.963   75.336   25.415   85.592   36.926   66.106   35.032   79.604   18.864   70.086   19.371 9.517815 27.03870 
1 1 1    3   -9   30 f   48.028   15.514   29.169   21.198   63.814   33.446   5.9079   27.406   68.624   18.911   39.866   16.606 28.75802 25.16694 
1 1 1    3   -9   31 o  110.127   11.756  156.708   31.830  215.415   45.157   98.732   44.875  128.353   14.333   84.073   21.338 44.28014 25.70518 
1 1 1    3   -9   32 o   44.755   16.537   21.892   24.447  133.331   72.501   7.5953   25.968   94.035   28.448   39.256   16.242 54.77928 32.75776 
1 1 1    3   -9   33 o   45.300   16.068   24.661   22.784   11.877   38.153   31.748   28.406   46.782   19.549   50.668   17.945 -3.886040 26.53599 
1 1 1    3   -9   34 f   46.494   16.567   26.487   24.247   17.276   41.000   31.441   30.068   49.236   20.393   50.636   18.397 -1.400421 27.46504 
1 1 1    3   -9   35 o   63.905   16.981   57.960   27.561   65.292   44.498   53.397   35.105   66.819   22.515   61.263   19.977 5.556084 30.09987 
1 1 1    3   -9   36 o   73.073   17.532   77.035   31.582   94.585   52.401   67.023   39.578   77.287   24.331   66.939   21.154 10.34843 32.24105 
1 1 1    3   -9   37 o   34.560   15.089  -0.1660   24.603   41.229   48.367 -14.6158   28.576   57.060   22.684   32.979   15.156 24.08089 27.28163 
1 1 1    3   -9   38 o   31.336   14.656 -20.4065   28.548   0.0000   0.0000 -20.4065   28.548  ?   ?    31.336   14.656 0.000000 14.65604 
1 1 1    3   -8    0 o   93.676   7.4769  110.461   17.345  119.556   24.502  101.326   24.557   97.153   10.254   89.201   11.276 7.951645 15.24137 
1 1 1    3   -8    1 o  488.884   15.743  3007.34  192.197  3020.46  271.778  2994.21  271.838  488.066   22.299  485.905   22.403 2.161011 31.60922 
1 1 1    3   -8    2 o  458.933   15.028  2647.14  172.222  2638.19  243.462  2656.11  243.655  456.634   21.351  458.197   21.295 -1.563751 30.15489 
1 1 1    3   -8    3 o  202.819   8.7979  514.650   44.559  520.116   62.820  509.116   63.215  203.313   12.433  201.117   12.651 2.196426 17.73789 
1 1 1    3   -8    4 o  463.448   15.108  2695.54  174.846  2736.24  247.181  2654.78  247.357  465.772   21.252  458.712   21.594 7.059814 30.29735 
1 1 1    3   -8    5 o  501.136   22.982  3167.52  287.604  3193.61  406.756  3141.43  406.712  499.601   32.785  495.381   33.067 4.219757 46.56512 
1 1 1    3   -8    6 o  582.812   18.007  4264.67  262.065  4274.37  370.435  4254.95  370.796  581.860   25.494  580.515   25.578 1.344177 36.11377 
1 1 1    3   -8    7 o  408.325   13.661  2087.91  139.299  2022.63  196.681  2153.61  197.318  401.263   19.628  414.121   19.080 -12.85785 27.37389 
1 1 1    3   -8    8 o  518.809   16.336  3374.23  211.642  3216.56  298.897  3532.76  299.717  505.433   23.681  529.882   22.651 -24.44882 32.76988 
1 1 1    3   -8    9 o  613.803   18.644  4728.28  285.772  4269.78  403.324  5190.52  404.965  581.476   27.776  641.736   25.270 -60.26001 37.55130 
1 1 1    3   -8   10 o  627.781   22.301  4957.33  349.602  4815.59  427.677  5242.81  606.938  617.499   27.735  640.018   38.149 -22.51929 47.16513 
1 1 1    3   -8   11 o  335.204   16.203  1408.65  135.629  1280.80  189.286  1543.54  194.435  317.982   24.015  349.544   22.393 -31.56250 32.83541 
1 1 1    3   -8   12 o  396.439   12.674  1967.56  125.475  2040.41  176.906  1893.81  177.995  403.219   17.569  388.374   18.353 14.84509 25.40683 
1 1 1    3   -8   13 o  490.895   15.545  3022.10  190.559  2776.32  268.622  3271.10  270.368  469.300   22.921  509.747   21.240 -40.44714 31.24927 
1 1 1    3   -8   14 o  313.666   11.290  1231.72   88.431  1326.27  124.267  1134.71  125.868  325.121   15.306  300.104   16.864 25.01627 22.77422 
1 1 1    3   -8   15 o  512.156   18.926  3304.09  242.054  3406.79  296.840  3100.27  418.166  518.999   22.904  490.092   34.386 28.90637 41.31538 
1 1 1    3   -8   16 o  440.209   19.055  2445.31  209.473  2905.16  299.356  2004.13  293.218  477.312   25.204  394.423   29.995 82.88931 39.17836 
1 1 1    3   -8   17 o  188.998   13.381  450.981   62.743  450.981   62.743   0.0000   0.0000  188.998   13.381  ?   ?  0.000000 13.38056 
1 1 1    3   -8   18 o  463.970   17.276  2721.05  200.168  2887.27  245.798  2393.76  344.900  476.686   20.649  427.497   32.553 49.18896 38.54926 
1 1 1    3   -8   19 o  408.142   15.097  2102.92  153.866  2310.29  189.296  1699.14  264.148  426.897   17.757  360.237   29.626 66.65915 34.54004 
1 1 1    3   -8   20 o  430.181   20.323  2363.50  218.321  2363.50  218.321   0.0000   0.0000  430.181   20.323  ?   ?  0.000000 20.32333 
1 1 1    3   -8   21 o  144.868   9.9839  264.864   35.897  292.495   45.748  220.589   57.909  151.897   12.163  130.403   18.286 21.49335 21.96135 
1 1 1    3   -8   22 o   56.404   12.444   41.673   17.057   58.447   23.476   22.917   24.825   66.703   14.507   46.333   16.734 20.36957 22.14723 
1 1 1    3   -8   23 o   60.058   12.474   47.175   18.097   65.475   25.431   28.403   25.757   70.587   14.896   49.516   17.119 21.07064 22.69266 
1 1 1    3   -8   24 o   76.792   11.902   76.081   22.085   68.868   30.072   84.528   32.541   72.112   16.980   80.026   16.818 -7.914444 23.89913 
1 1 1    3   -8   25 o  130.215   12.756  216.278   40.945  302.906   70.770  172.691   50.200  152.621   18.979  114.906   18.093 37.71489 26.22109 
1 1 1    3   -8   26 o  153.098   10.539  296.597   40.048  320.627   51.901  261.236   62.961  158.622   13.223  141.723   18.212 16.89859 22.50604 
1 1 1    3   -8   27 o  189.660   10.303  454.467   48.616  545.775   62.810  318.019   76.782  207.429   12.179  155.761   20.217 51.66853 23.60197 
1 1 1    3   -8   28 o  141.378   11.186  253.948   39.170  255.049   52.037  252.508   59.498  140.721   15.041  139.272   17.494 1.449265 23.07081 
1 1 1    3   -8   29 o  145.162   19.242  277.284   68.033  277.284   68.033   0.0000   0.0000  145.162   19.242  ?   ?  0.000000 19.24210 
1 1 1    3   -8   30 f   57.258   15.441   43.539   22.583   59.139   34.556   31.909   29.836   66.586   19.519   52.288   18.405 14.29773 26.82771 
1 1 1    3   -8   31 o   84.613   12.967   93.529   26.526  141.455   39.702   54.888   35.650  103.491   15.869   64.315   20.040 39.17587 25.56190 
1 1 1    3   -8   32 o   91.821   13.280  110.573   29.565  121.411   43.358  101.154   40.420   94.152   19.094   85.683   19.349 8.469246 27.18392 
1 1 1    3   -8   33 o   87.645   15.826  103.700   33.363  306.441   80.788   62.014   36.632  147.554   22.649   66.915   20.216 80.63894 30.35889 
1 1 1    3   -8   34 f   49.732   16.467   32.186   23.819   55.348   39.731   19.191   29.759   63.524   21.275   45.542   17.892 17.98119 27.79841 
1 1 1    3   -8   35 o   27.322   12.526 -11.9411   19.358   15.025   38.690 -20.9459   22.358   47.592   19.769   27.387   12.860 20.20511 23.58410 
1 1 1    3   -8   36 o  126.103   12.275  210.321   38.163  322.675   57.649  122.678   50.916  154.294   15.158   89.995   22.668 64.29843 27.26906 
1 1 1    3   -8   37 o  160.574   25.504  405.217   98.846  405.217   98.846   0.0000   0.0000  160.574   25.504  ?   ?  0.000000 25.50368 
1 1 1    3   -8   38 f   35.156   15.528  -2.4547   26.754   47.273   53.915 -18.7007   30.816   59.806   23.894   33.418   15.493 26.38848 28.47755 
1 1 1    3   -8   39 o   90.936   16.793  120.564   36.730  213.653   62.716   71.968   45.314  115.658   22.525   66.583   22.719 49.07523 31.99213 
1 1 1    3   -7    0 o   99.322   10.650  125.011   26.002  108.772   36.936  140.962   36.609   91.532   16.778  104.964   14.342 -13.43196 22.07254 
1 1 1    3   -7    1 o  219.186   9.2215  601.500   50.473  605.035   71.362  597.961   71.398  219.139   13.101  217.837   13.187 1.302200 18.58850 
1 1 1    3   -7    2 o  243.275   9.6911  741.201   58.874  745.791   83.193  736.597   83.328  243.272   13.751  241.745   13.861 1.527054 19.52468 
1 1 1    3   -7    3 o  274.921   10.392  946.873   71.346  989.689  100.861  903.992  100.937  280.264   14.461  267.700   15.161 12.56412 20.95180 
1 1 1    3   -7    4 o  562.819   17.396  3988.79  244.497  3856.67  345.527  4121.28  346.015  550.903   25.116  569.800   24.318 -18.89679 34.95967 
1 1 1    3   -7    5 o  278.220   10.291  968.970   71.500  943.709  100.881  994.468  101.354  273.800   14.810  281.136   14.486 -7.335541 20.71651 
1 1 1    3   -7    6 o  389.602   12.680  1901.45  123.361  1801.05  174.166  2002.54  174.752  378.488   18.427  399.229   17.529 -20.74109 25.43264 
1 1 1    3   -7    7 o  341.999   16.983  1467.77  145.040  1360.98  205.026  1574.74  205.209  327.386   25.274  352.690   23.433 -25.30432 34.46567 
1 1 1    3   -7    8 o  782.659   23.440  7715.21  458.123  7236.60  647.052  8196.29  648.717  754.250   34.354  803.555   32.329 -49.30432 47.17335 
1 1 1    3   -7    9 o  455.309   14.411  2596.45  163.852  2553.85  231.416  2639.26  232.028  450.837   20.555  458.353   20.272 -7.516663 28.86966 
1 1 1    3   -7   10 o  581.036   17.734  4234.65  257.316  4016.68  363.415  4453.77  364.386  564.450   25.783  594.638   24.539 -30.18756 35.59364 
1 1 1    3   -7   11 o  512.549   16.371  3293.04  209.531  3220.23  295.976  3366.19  296.668  505.813   23.432  517.231   22.969 -11.41748 32.81216 
1 1 1    3   -7   12 o  162.897   12.410  334.014   50.103  331.466   66.539  337.350   76.140  161.738   16.716  162.827   19.088 -1.089371 25.37230 
1 1 1    3   -7   13 o  369.830   11.965  1711.73  110.500  1660.06  155.539  1764.38  157.013  363.763   17.123  375.055   16.764 -11.29208 23.96314 
1 1 1    3   -7   14 o  331.736   11.991  1377.61   99.336  1473.31  139.911  1280.33  141.062  342.685   16.350  318.827   17.788 23.85822 24.16061 
1 1 1    3   -7   15 o  650.511   22.889  5340.87  371.821  5715.87  456.051  4597.36  642.144  671.480   27.198  593.818   43.609 77.66205 51.39513 
1 1 1    3   -7   16 o  176.874   17.449  397.260   76.064   0.0000   0.0000  397.260   76.064  ?   ?   176.874   17.449 0.000000 17.44875 
1 1 1    3   -7   17 o  107.531   11.640  146.621   30.756  208.660   50.153  109.225   38.938  127.811   16.069   91.601   17.663 36.21012 23.87835 
1 1 1    3   -7   18 f  582.539   21.317  4303.98  310.094  4442.70  380.285  4028.72  535.696  589.714   25.824  552.402   39.086 37.31213 46.84661 
1 1 1    3   -7   19 o  398.675   15.221  2003.59  151.537  2087.34  186.257  1839.63  260.624  406.041   18.369  376.884   27.890 29.15717 33.39596 
1 1 1    3   -7   20 o  546.608   20.374  3805.68  278.107  3866.65  341.119  3684.82  480.265  548.295   24.914  525.181   36.854 23.11407 44.48471 
1 1 1    3   -7   21 o  141.158   9.9824  251.385   34.961  250.767   44.200  252.417   57.139  140.530   12.733  140.177   16.649 0.3529968 20.95987 
1 1 1    3   -7   22 o  103.330   17.305  139.195   43.073  139.195   43.073   0.0000   0.0000  103.330   17.305  ?   ?  0.000000 17.30452 
1 1 1    3   -7   23 o   42.866   13.038   23.300   15.199   14.895   21.454   31.768   21.535   40.538   15.383   50.147   15.567 -9.609455 21.88537 
1 1 1    3   -7   24 o  200.674   10.505  507.943   52.460  548.930   65.944  437.290   86.580  208.148   12.748  183.948   19.128 24.20056 22.98689 
1 1 1    3   -7   25 o  138.713   9.5400  242.921   32.845  315.651   43.152  142.760   50.640  157.945   11.010  103.762   20.271 54.18240 23.06757 
1 1 1    3   -7   26 o  364.565   13.528  1682.02  123.157  1913.38  152.859  1253.99  207.915  387.894   15.781  307.467   27.365 80.42731 31.58951 
1 1 1    3   -7   27 o   77.095   12.977   77.166   24.096   77.409   34.490   76.934   33.678   76.259   18.337   76.059   18.010 0.2001724 25.70191 
1 1 1    3   -7   28 o  165.356   10.009  345.487   41.134  444.700   54.542  214.630   62.639  187.294   11.721  127.499   20.359 59.79491 23.49133 
1 1 1    3   -7   29 o  134.359   10.656  229.118   35.459  279.535   48.422  170.822   52.069  147.880   13.253  113.721   19.006 34.15853 23.17041 
1 1 1    3   -7   30 o   40.767   15.005   17.090   20.094  -6.7328   31.217   33.943   26.257   38.415   16.878   52.364   17.287 -13.94987 24.16004 
1 1 1    3   -7   31 o   28.901   12.770  -5.2346   18.113   9.2236   31.259 -12.5429   22.224   43.470   17.886   30.008   13.629 13.46116 22.48664 
1 1 1    3   -7   32 o  139.054   10.999  247.237   37.883  322.432   52.624  166.352   54.579  158.044   13.462  110.518   20.532 47.52658 24.55199 
1 1 1    3   -7   33 o   33.015   13.817   3.3305   19.103   17.860   34.502  -3.0931   22.940   47.780   19.106   33.420   14.581 14.36018 24.03403 
1 1 1    3   -7   34 o   41.775   15.296   19.243   20.845   59.665   38.052   1.9126   24.916   65.818   20.736   36.428   15.536 29.38974 25.91034 
1 1 1    3   -7   35 o  116.604   14.136  180.822   40.320  508.369   88.844   95.862   45.248  192.447   18.724   81.189   21.840 111.2575 28.76796 
1 1 1    3   -7   36 o   37.872   15.161   11.243   21.753   6.7555   40.721   13.035   25.733   46.034   19.753   40.824   16.438 5.209854 25.69777 
1 1 1    3   -7   37 o  190.284   11.655  474.437   55.116  631.653   76.719  306.752   79.232  217.216   14.222  143.657   22.852 73.55933 26.91607 
1 1 1    3   -7   38 o   46.330   21.302 -18.7097   56.531 -18.7097   56.531   0.0000   0.0000   46.330   21.302  ?   ?  0.000000 21.30167 
1 1 1    3   -7   39 f   54.488   18.430   42.288   29.819   57.637   57.028   36.513   34.982   63.164   24.783   52.644   19.716 10.52011 31.66847 
1 1 1    3   -6    0 o   58.822   7.5343   43.972   10.813   40.270   15.341   47.625   15.242   55.687   11.416   60.827   10.409 -5.140408 15.44854 
1 1 1    3   -6    1 o   36.004   8.3776   16.871   7.3905   18.762   10.412   14.950   10.492   38.143   10.568   34.740   10.879 3.402348 15.16663 
1 1 1    3   -6    2 o  364.488   17.653  1674.67  160.675  1508.66  226.990  1841.39  227.469  342.890   26.720  379.926   24.101 -37.03586 35.98359 
1 1 1    3   -6    3 o  139.076   7.8489  242.751   27.148  241.589   38.311  243.924   38.475  138.375   11.182  139.048   11.175 -0.6724548 15.80919 
1 1 1    3   -6    4 o  423.770   13.869  2256.01  146.763  2201.85  207.410  2310.33  207.699  417.304   19.903  427.581   19.452 -10.27664 27.83027 
1 1 1    3   -6    5 o  234.790   9.5333  690.156   55.895  680.281   78.877  700.116   79.219  232.382   13.652  235.779   13.511 -3.396683 19.20766 
1 1 1    3   -6    6 f  542.013   17.258  3696.00  233.587  3635.04  330.141  3757.11  330.543  535.411   24.692  544.455   24.312 -9.043762 34.65209 
1 1 1    3   -6    7 o  491.139   15.265  3026.71  187.220  2958.13  264.529  3095.54  265.010  484.291   21.873  495.514   21.417 -11.22299 30.61251 
1 1 1    3   -6    8 f  219.588   12.976  605.948   70.840  672.814  100.479  539.866   99.888  230.844   17.562  206.320   19.624 24.52454 26.33491 
1 1 1    3   -6    9 o  299.546   10.472  1122.29   78.332  1050.44  110.356  1195.26  111.206  289.108   15.341  308.889   14.417 -19.78085 21.05194 
1 1 1    3   -6   10 o  245.766   10.150  755.317   62.292  733.223   87.785  777.724   88.406  241.508   14.625  248.792   14.290 -7.283600 20.44703 
1 1 1    3   -6   11 o  375.383   12.296  1763.26  115.260  1713.29  162.619  1813.69  163.388  369.603   17.619  380.318   17.204 -10.71521 24.62525 
1 1 1    3   -6   12 o  235.022   9.8055  690.625   57.548  718.933   80.866  661.579   81.914  239.254   13.591  229.398   14.372 9.856445 19.78060 
1 1 1    3   -6   13 o  264.946   11.816  878.301   78.174  864.902   94.695  906.970  138.519  262.380   14.509  267.846   20.874 -5.465851 25.42148 
1 1 1    3   -6   14 o  305.854   16.906  1176.92  128.623  1310.84  179.542  1035.72  184.354  321.944   22.473  285.286   26.169 36.65842 34.49456 
1 1 1    3   -6   15 o  758.944   48.774  7524.00  919.488   0.0000   0.0000  7524.00  919.488  ?   ?   758.944   48.774 0.000000 48.77438 
1 1 1    3   -6   16 o  210.786   12.810  558.676   67.108  558.676   67.108   0.0000   0.0000  210.786   12.810  ?   ?  0.000000 12.80993 
1 1 1    3   -6   17 o  218.077   10.987  597.063   59.639  616.334   73.730  560.591  101.432  221.286   13.406  210.019   19.566 11.26697 23.71767 
1 1 1    3   -6   18 o  409.878   16.046  2113.48  164.237  2051.34  201.464  2236.60  283.579  402.967   20.021  417.849   27.328 -14.88199 33.87667 
1 1 1    3   -6   19 o  414.452   19.529  2173.38  202.114  2291.35  287.778  2058.55  283.927  422.025   27.456  399.395   28.658 22.62967 39.68795 
1 1 1    3   -6   20 o  741.561   26.999  7075.48  499.978  7097.78  612.770  7031.08  864.792  737.076   33.292  714.554   48.756 22.52234 59.03787 
1 1 1    3   -6   21 o  215.682   10.688  584.067   57.566  616.163   71.596  525.378   96.816  220.855   13.040  202.404   19.392 18.45131 23.36852 
1 1 1    3   -6   22 o  193.598   10.113  471.875   48.722  524.749   61.172  380.134   80.577  203.839   12.071  171.770   19.109 32.06906 22.60244 
1 1 1    3   -6   23 o  118.459   17.218  181.824   49.441  181.824   49.441   0.0000   0.0000  118.459   17.218  ?   ?  0.000000 17.21777 
1 1 1    3   -6   24 o  280.924   12.279  994.858   86.138  1021.49  106.763  945.196  145.798  283.573   15.131  270.273   21.787 13.29980 26.52627 
1 1 1    3   -6   25 o  146.523   10.253  271.245   37.278  276.893   47.922  262.590   59.324  147.498   13.149  142.697   16.982 4.801147 21.47695 
1 1 1    3   -6   26 o   76.076   11.886   74.669   21.842  100.955   31.159   49.275   30.626   88.131   14.674   61.691   18.450 26.43967 23.57438 
1 1 1    3   -6   27 o  249.811   11.851  787.205   73.928  801.672   92.540  761.685  122.908  250.957   14.833  242.504   20.488 8.452850 25.29336 
1 1 1    3   -6   28 o  371.362   15.605  1754.46  144.716  2368.18  213.447  1232.34  196.875  428.953   19.926  305.279   26.075 123.6746 32.81741 
1 1 1    3   -6   29 o   97.667   11.934  122.234   28.500  133.542   39.879  110.429   40.745  101.101   16.354   91.210   18.521 9.891129 24.70794 
1 1 1    3   -6   30 o  258.510   10.990  843.651   70.945  1023.03   90.552  558.527  114.163  284.128   12.762  205.678   22.600 78.44983 25.95446 
1 1 1    3   -6   31 o   28.214   12.333  -3.3053   16.481   4.5069   31.051  -6.3695   19.447   41.827   17.567   29.704   13.174 12.12316 21.95777 
1 1 1    3   -6   32 o  139.467   20.777  260.685   70.152  260.685   70.152   0.0000   0.0000  139.467   20.777  ?   ?  0.000000 20.77687 
1 1 1    3   -6   33 o   85.561   13.050   95.755   27.001  160.020   41.798   49.730   35.373  110.192   15.628   61.744   20.049 48.44808 25.42052 
1 1 1    3   -6   34 o  100.289   12.757  131.268   31.226  171.587   46.216   97.404   42.356  113.220   16.861   83.561   20.462 29.65918 26.51356 
1 1 1    3   -6   35 o   76.220   14.509   78.184   26.607  134.419   42.754   42.641   33.990   98.969   17.961   57.389   19.676 41.57924 26.64085 
1 1 1    3   -6   36 o   91.308   16.383  114.207   35.982  301.384   85.838   74.304   39.633  142.767   24.987   71.955   20.850 70.81211 32.54346 
1 1 1    3   -6   37 o   54.942   18.895   40.089   31.357   0.0000   0.0000   40.089   31.357  ?   ?    54.942   18.895 0.000000 18.89479 
1 1 1    3   -6   38 o  106.562   13.915  153.145   36.144  242.510   57.585   95.049   46.430  131.455   18.016   79.206   22.447 52.24847 28.78302 
1 1 1    3   -6   39 o  161.630   12.698  348.537   50.837  477.873   75.058  238.916   69.101  185.620   16.360  125.017   22.981 60.60394 28.20959 
1 1 1    3   -6   40 o  102.363   15.782  147.849   39.044  251.990   68.234   97.151   47.608  127.654   22.212   77.697   22.949 49.95663 31.93793 
1 1 1    3   -5    0 o  385.310   13.064  1860.25  125.705  1839.62  177.745  1880.89  177.803  382.477   18.610  386.772   18.409 -4.295502 26.17671 
1 1 1    3   -5    1 o  329.163   11.659  1357.02   95.838  1311.82  135.475  1402.29  135.596  322.659   16.872  334.123   16.251 -11.46426 23.42612 
1 1 1    3   -5    2 o  120.940   7.5916  183.611   22.811  180.214   32.245  187.015   32.274  119.461   10.930  121.738   10.726 -2.276657 15.31392 
1 1 1    3   -5    3 f  284.954   12.027  1018.08   85.582  917.073  104.719  1221.20  148.506  269.623   15.620  310.506   19.247 -40.88297 24.78801 
1 1 1    3   -5    4 o  466.521   21.161  2755.64  246.521  2418.30  348.022  3095.35  349.248  431.891   32.507  490.866   28.616 -58.97470 43.30799 
1 1 1    3   -5    5 o  131.143   7.7319  215.895   25.209  214.618   35.487  217.195   35.816  130.394   11.001  131.176   11.037 -0.7811432 15.58299 
1 1 1    3   -5    6 o  347.095   12.117  1510.91  105.024  1503.38  148.406  1518.47  148.647  345.455   17.203  347.195   17.145 -1.739410 24.28770 
1 1 1    3   -5    7 o  209.449   8.7642  548.846   45.840  541.299   64.586  556.506   65.071  207.414   12.528  210.328   12.444 -2.914291 17.65852 
1 1 1    3   -5    8 o  366.359   12.548  1681.50  114.799  1660.87  162.157  1702.23  162.545  363.478   17.865  368.001   17.688 -4.522980 25.14005 
1 1 1    3   -5    9 o  549.054   17.188  3783.73  235.660  3658.57  332.966  3909.36  333.582  538.388   24.766  556.718   23.995 -18.33057 34.48329 
1 1 1    3   -5   10 o  181.450   12.129  413.872   54.642  424.481   77.717  403.500   76.841  183.161   17.193  178.498   17.463 4.662399 24.50570 
1 1 1    3   -5   11 o  918.999   27.468 10661.47  630.361 10909.47  891.602 10413.62  891.328  924.713   38.611  902.991   39.528 21.72205 55.25647 
1 1 1    3   -5   12 o  973.354   29.425 11974.87  715.210 11856.73  1011.18 12093.14  1011.74  962.454   42.072  972.228   41.673 -9.773438 59.21730 
1 1 1    3   -5   13 o  182.698   8.2446  417.167   37.614  391.369   52.510  444.357   53.907  176.458   11.988  188.119   11.531 -11.66063 16.63314 
1 1 1    3   -5   14 o  266.227   11.124  886.591   73.956  917.678  104.120  854.936  105.065  270.181   15.497  260.664   16.221 9.517609 22.43405 
1 1 1    3   -5   15 o  733.411   46.954  6978.25  855.426  6978.25  855.426   0.0000   0.0000  733.411   46.954  ?   ?  0.000000 46.95383 
1 1 1    3   -5   16 o  302.646   12.714  1146.96   96.089  1167.56  118.106  1106.63  165.258  304.738   15.572  295.524   22.564 9.214264 27.41563 
1 1 1    3   -5   17 o  457.275   17.557  2627.69  200.479  2414.46  245.572  3053.76  347.136  436.846   22.588  489.599   28.516 -52.75244 36.37885 
1 1 1    3   -5   18 o  352.362   14.078  1557.91  123.875  1592.19  152.223  1490.70  213.142  355.797   17.133  341.963   25.136 13.83380 30.41949 
1 1 1    3   -5   19 o  651.070   23.794  5382.21  386.859  5312.60  474.068  5520.97  669.312  643.988   29.479  647.284   41.629 -3.296143 51.00938 
1 1 1    3   -5   20 o  512.248   23.848  3342.91  305.063  3265.17  432.768  3419.70  430.092  499.548   34.911  511.987   33.830 -12.43921 48.61370 
1 1 1    3   -5   21 o  172.228   10.667  373.563   45.650  338.729   57.007  435.826   76.217  163.425   14.107  185.013   16.676 -21.58832 21.84251 
1 1 1    3   -5   22 o  302.310   12.912  1150.50   97.474  1176.76  120.245  1100.19  166.460  304.711   15.857  292.212   22.998 12.49918 27.93480 
1 1 1    3   -5   23 o  284.287   11.933  1017.05   84.717  1090.09  104.915  880.191  143.614  293.818   14.299  261.092   22.239 32.72644 26.43917 
1 1 1    3   -5   24 o  378.567   15.134  1813.87  143.073  1824.39  176.087  1793.41  245.432  378.348   18.637  370.341   26.718 8.006348 32.57621 
1 1 1    3   -5   25 o  104.768   17.905  143.504   45.160  143.504   45.160   0.0000   0.0000  104.768   17.905  ?   ?  0.000000 17.90455 
1 1 1    3   -5   26 f  269.618   12.014  916.355   80.891  968.604  100.694  821.281  135.831  276.189   14.652  251.660   21.830 24.52869 26.29157 
1 1 1    3   -5   27 o  201.030   10.697  509.989   53.504  552.230   68.002  441.343   86.689  208.670   13.117  184.797   19.059 23.87276 23.13623 
1 1 1    3   -5   28 o  124.768   10.448  197.245   32.253  223.613   43.477  164.971   48.099  132.330   13.339  112.402   17.723 19.92840 22.18200 
1 1 1    3   -5   29 o   70.276   16.366   65.384   28.186   69.773   65.843   64.399   31.189   76.857   27.310   69.657   17.849 7.199684 32.62510 
1 1 1    3   -5   30 o  225.890   11.754  646.101   66.075  646.428   84.051  645.572  106.909  224.954   15.049  223.171   19.376 1.783630 24.53345 
1 1 1    3   -5   31 o   98.211   12.416  124.004   29.771  128.694   43.219  119.769   41.069   98.577   18.228   95.087   17.954 3.489571 25.58539 
1 1 1    3   -5   32 o   54.034   15.477   38.321   21.953   43.813   35.738   34.993   27.820   59.630   20.177   53.310   17.803 6.319443 26.90801 
1 1 1    3   -5   33 o  132.173   21.186  235.598   67.565  235.598   67.565   0.0000   0.0000  132.173   21.186  ?   ?  0.000000 21.18594 
1 1 1    3   -5   34 o   37.234   14.739   10.436   20.337 -16.1830   36.079   22.832   24.621   38.707   17.493   45.623   16.637 -6.915237 24.14075 
1 1 1    3   -5   35 o   88.901   13.012  103.834   28.032  204.889   45.247   40.885   35.711  124.709   14.819   57.342   20.139 67.36621 25.00356 
1 1 1    3   -5   36 o  143.670   11.060  266.503   39.375  423.856   57.441  127.028   54.080  180.406   12.834   93.450   23.265 86.95643 26.56977 
1 1 1    3   -5   37 f   77.604   20.419   86.658   40.105   0.0000   0.0000   86.658   40.105  ?   ?    77.604   20.419 0.000000 20.41887 
1 1 1    3   -5   38 o   43.672   16.241   21.435   23.657  136.266   50.386 -11.0351   26.793   96.434   21.475   33.266   15.050 63.16811 26.22346 
1 1 1    3   -5   39 o  138.497   12.711  254.647   43.471  363.929   67.091  175.569   57.071  162.359   16.790  108.744   21.776 53.61526 27.49727 
1 1 1    3   -5   40 o   48.568   17.895   29.545   28.593   39.111   54.964   25.996   33.480   58.435   23.842   48.533   19.004 9.902077 30.48965 
1 1 1    3   -5   41 o   66.358   27.833   63.548   77.778   63.548   77.778   0.0000   0.0000   66.358   27.833  ?   ?  0.000000 27.83306 
1 1 1    3   -4    0 o  953.094   28.985 11508.64  689.852 11562.32  975.675 11454.97  975.522  948.336   41.200  943.796   41.391 4.539551 58.40064 
1 1 1    3   -4    1 o  385.269   12.931  1859.07  124.410  1837.53  175.926  1880.63  175.957  382.420   18.422  386.907   18.212 -4.487000 25.90439 
1 1 1    3   -4    2 o  237.694   9.5708  706.760   56.809  693.640   80.331  719.887   80.350  234.845   13.758  239.292   13.502 -4.447662 19.27614 
1 1 1    3   -4    3 o  114.616   7.4799  164.939   21.291  170.031   30.101  159.840   30.121  116.074   10.498  112.469   10.860 3.604576 15.10450 
1 1 1    3   -4    4 o  404.790   13.578  2056.11  137.255  2052.91  194.074  2059.32  194.141  403.459   19.263  404.093   19.239 -0.6344604 27.22490 
1 1 1    3   -4    5 o  297.138   15.561  1113.53  115.065  1113.11  162.632  1113.94  162.820  295.564   22.197  295.670   22.214 -0.1060791 31.40337 
1 1 1    3   -4    6 o   87.013   8.5253   95.656   18.286   97.697   30.949   94.561   22.666   86.971   14.779   86.204   10.764 0.7668381 18.28348 
1 1 1    3   -4    7 o  196.415   8.8051  482.821   43.188  484.772   60.907  480.849   61.248  196.187   12.497  195.372   12.621 0.8153839 17.76173 
1 1 1    3   -4    8 o  356.329   11.477  1590.80  102.125  1513.07  144.162  1669.11  144.692  346.858   16.644  364.420   15.900 -17.56207 23.01769 
1 1 1    3   -4    9 o  711.503   22.000  6385.54  390.884  6252.70  552.549  6518.62  553.040  700.302   31.596  715.333   30.960 -15.03131 44.23602 
1 1 1    3   -4   10 o  359.422   12.368  1617.27  111.006  1613.16  156.813  1621.40  157.161  358.486   17.517  359.402   17.511 -0.9158020 24.76862 
1 1 1    3   -4   11 o  1229.85   54.196 19741.43  1664.46 20063.93  2354.61 19419.32  2353.19  1209.79   78.361  1188.23   79.768 21.55762 111.8183 
1 1 1    3   -4   12 o  458.246   14.948  2630.31  171.053  2534.36  241.520  2726.88  242.293  449.040   21.539  465.883   20.826 -16.84274 29.96081 
1 1 1    3   -4   13 o  770.430   23.611  7468.91  454.247  7374.10  642.125  7563.89  642.681  762.464   33.725  772.357   33.322 -9.893127 47.40984 
1 1 1    3   -4   14 o  446.980   19.623  2508.16  219.031   0.0000   0.0000  2508.16  219.031  ?   ?   446.980   19.623 0.000000 19.62304 
1 1 1    3   -4   15 o  646.830   28.796  5288.15  465.133  5288.15  465.133   0.0000   0.0000  646.830   28.796  ?   ?  0.000000 28.79628 
1 1 1    3   -4   16 o  295.811   15.437  1099.71  113.637  1099.71  113.637   0.0000   0.0000  295.811   15.437  ?   ?  0.000000 15.43695 
1 1 1    3   -4   17 o  655.315   29.123  5444.59  476.575  5625.32  674.245  5264.15  673.712  659.992   41.114  637.620   42.556 22.37225 59.17266 
1 1 1    3   -4   18 o  279.000   11.465  974.666   79.881  1092.11   98.652  751.061  136.125  295.181   13.383  242.893   22.706 52.28732 26.35669 
1 1 1    3   -4   19 f  108.765   9.7359  149.242   26.164  128.180   33.451  182.428   41.989  100.159   13.736  119.719   14.330 -19.55991 19.85015 
1 1 1    3   -4   20 o  314.811   13.533  1244.40  106.389  1215.11  130.860  1301.48  182.717  310.140   16.961  319.466   23.059 -9.325897 28.62456 
1 1 1    3   -4   21 o  388.809   14.960  1903.10  145.246  2021.46  178.676  1672.49  249.394  400.015   17.887  359.847   27.973 40.16846 33.20320 
1 1 1    3   -4   22 o  245.598   14.534  762.662   88.744  744.596  128.864  778.959  122.391  240.836   21.659  246.852   20.027 -6.016159 29.49891 
1 1 1    3   -4   23 o  398.482   14.737  2004.23  146.650  2177.68  180.599  1668.48  251.270  414.469   17.449  357.404   28.387 57.06488 33.32121 
1 1 1    3   -4   24 o  241.679   12.293  737.264   73.945  638.517   91.460  923.639  125.650  223.878   16.475  268.722   18.844 -44.84447 25.03030 
1 1 1    3   -4   25 o  361.197   13.740  1647.28  123.934  1808.21  153.116  1341.54  211.044  377.598   16.238  320.124   26.642 57.47452 31.20062 
1 1 1    3   -4   26 o  236.697   20.405  722.691  119.428  722.691  119.428   0.0000   0.0000  236.697   20.405  ?   ?  0.000000 20.40452 
1 1 1    3   -4   27 o  100.963   11.650  130.067   28.834   88.226   38.391  184.217   43.674   81.496   19.183  119.706   14.935 -38.20962 24.31126 
1 1 1    3   -4   28 o   75.923   12.861   74.735   23.514   47.414   33.391  101.611   33.118   61.243   19.438   88.232   15.602 -26.98903 24.92500 
1 1 1    3   -4   29 o   43.996   14.084   23.982   17.502   21.935   29.181   25.132   21.872   47.827   17.988   46.257   15.784 1.569523 23.93126 
1 1 1    3   -4   30 f   38.451   14.079   15.155   17.657  -7.9432   31.147   26.094   21.435   38.168   16.812   46.629   15.627 -8.461742 22.95271 
1 1 1    3   -4   31 o   53.982   16.669   37.240   24.730   11.645   68.207   41.114   26.535   61.636   25.969   56.514   17.236 5.122025 31.16836 
1 1 1    3   -4   32 o   93.185   12.510  111.900   28.376  119.728   41.894  105.266   38.570   94.940   18.335   88.978   17.977 5.962486 25.67775 
1 1 1    3   -4   33 o   85.933   14.017   96.502   29.042   88.218   44.070  102.860   38.612   80.560   21.504   87.642   18.236 -7.082100 28.19554 
1 1 1    3   -4   34 o   60.305   15.730   48.651   23.936   65.284   39.615   39.087   30.040   69.683   21.017   55.720   18.495 13.96278 27.99584 
1 1 1    3   -4   35 o   64.339   16.610   56.039   26.869   97.653   48.459   37.566   32.287   83.473   22.664   55.272   19.164 28.20080 29.68008 
1 1 1    3   -4   36 o   92.808   13.826  113.823   31.065  136.420   48.005   97.544   40.746   99.097   20.087   83.609   19.818 15.48778 28.21732 
1 1 1    3   -4   37 o   75.959   23.226   83.220   48.146   83.220   48.146   0.0000   0.0000   75.959   23.226  ?   ?  0.000000 23.22631 
1 1 1    3   -4   38 f   67.059   16.458   62.531   27.356  121.250   48.355   34.893   33.175   91.315   21.552   53.242   19.327 38.07300 28.94895 
1 1 1    3   -4   39 f   67.516   18.970   65.320   33.308   88.478   90.343   61.677   35.832   77.872   30.988   65.571   20.035 12.30129 36.90099 
1 1 1    3   -4   40 o   69.608   17.315   69.265   29.974  228.077   58.573   12.922   34.888  126.312   19.172   44.825   18.709 81.48644 26.78770 
1 1 1    3   -4   41 o   60.711   18.350   53.742   30.176  118.016   60.568   32.520   34.803   84.172   26.103   51.379   19.570 32.79250 32.62444 
1 1 1    3   -3    0 o  229.091   13.302  659.299   75.772  720.621  107.266  598.225  107.049  238.954   18.111  217.318   19.949 21.63614 26.94337 
1 1 1    3   -3    1 o  473.358   15.358  2808.49  181.543  2802.73  256.747  2814.25  256.733  471.956   21.785  472.933   21.739 -0.9768066 30.77575 
1 1 1    3   -3    2 o  303.749   11.052  1154.46   83.829  1157.68  118.556  1151.24  118.547  303.442   15.699  302.590   15.743 0.8528748 22.23326 
1 1 1    3   -3    3 o  276.560   10.404  956.997   71.850  934.465  101.585  979.552  101.639  272.572   14.982  279.136   14.632 -6.564270 20.94176 
1 1 1    3   -3    4 o  186.282   8.4950  433.969   39.517  424.458   55.851  443.503   55.920  183.667   12.248  187.790   11.987 -4.123398 17.13750 
1 1 1    3   -3    5 o  107.474   7.1984  145.064   19.208  147.546   27.094  142.557   27.234  108.086   10.157  106.197   10.403 1.889404 14.53942 
1 1 1    3   -3    6 o  377.359   12.882  1786.88  121.390  1775.57  171.590  1798.21  171.752  375.211   18.313  377.616   18.214 -2.404663 25.82866 
1 1 1    3   -3    7 o  407.934   19.271  2102.21  196.314  1979.36  277.217  2225.79  278.045  392.191   28.500  416.675   26.865 -24.48419 39.16632 
1 1 1    3   -3    8 o  638.863   20.048  5157.21  319.839  5064.49  452.122  5250.10  452.521  629.152   28.777  640.843   28.277 -11.69122 40.34513 
1 1 1    3   -3    9 o  325.074   11.561  1323.90   93.845  1267.64  132.512  1380.51  132.922  317.062   16.796  331.431   16.060 -14.36917 23.23891 
1 1 1    3   -3   10 o  167.744   8.5991  352.782   35.900  361.535   50.551  343.876   50.991  169.490   12.022  165.229   12.450 4.261124 17.30653 
1 1 1    3   -3   11 o  161.783   8.4472  328.085   34.009  316.886   47.788  339.577   48.408  158.651   12.155  164.295   11.879 -5.643997 16.99557 
1 1 1    3   -3   12 o  334.819   11.997  1402.73  100.311  1373.40  141.643  1432.25  142.078  330.479   17.223  337.971   16.834 -7.491852 24.08377 
1 1 1    3   -3   13 o  310.244   15.847  1209.15  122.365  1263.80  173.766  1155.38  172.342  316.301   22.139  302.216   23.009 14.08472 31.93047 
1 1 1    3   -3   14 o  570.375   17.982  4080.10  256.116  4034.97  361.915  4125.39  362.493  565.921   25.609  572.276   25.365 -6.354736 36.04510 
1 1 1    3   -3   15 o  413.887   16.067  2146.63  166.063  2036.94  203.424  2365.78  287.518  402.233   20.318  432.311   26.765 -30.07806 33.60299 
1 1 1    3   -3   16 f  235.722   10.853  694.992   63.883  736.478   78.683  614.756  109.425  242.211   13.057  220.331   20.110 21.87997 23.97677 
1 1 1    3   -3   17 o  622.985   22.679  4886.57  352.827  4860.32  432.324  4938.93  610.546  619.980   27.924  619.869   39.651 0.1110840 48.49668 
1 1 1    3   -3   18 o  387.570   26.871  1909.54  258.456  1909.54  258.456   0.0000   0.0000  387.570   26.871  ?   ?  0.000000 26.87052 
1 1 1    3   -3   19 o  194.742   10.418  476.012   50.482  493.063   62.731  444.677   85.039  197.955   12.758  187.126   18.438 10.82880 22.42147 
1 1 1    3   -3   20 o  268.361   12.108  902.716   81.143  820.564   99.929  1061.73  139.026  255.036   15.768  289.539   19.339 -34.50374 24.95279 
1 1 1    3   -3   21 o  233.119   12.413  683.783   71.999  517.758   88.699  1004.49  123.278  201.862   17.777  281.711   17.612 -79.84966 25.02456 
1 1 1    3   -3   22 o  590.330   21.723  4429.88  320.231  4505.73  392.737  4279.43  553.148  592.780   26.531  567.803   39.252 24.97681 47.37790 
1 1 1    3   -3   23 o  267.252   14.398  902.641   95.733  988.066  139.090  825.743  131.965  278.085   20.166  253.840   21.007 24.24480 29.12028 
1 1 1    3   -3   24 o  280.574   12.480  990.745   87.440  981.124  108.033  1009.02  148.890  278.167   15.616  280.239   21.438 -2.072388 26.52272 
1 1 1    3   -3   25 o  211.783   12.017  566.305   63.293  461.215   78.560  760.701  106.847  190.016   16.727  244.113   17.646 -54.09717 24.31413 
1 1 1    3   -3   26 o  383.155   15.159  1858.10  145.047  1894.28  178.724  1788.28  248.260  385.572   18.562  369.605   27.087 15.96689 32.83643 
1 1 1    3   -3   27 o  186.111   13.387  439.510   61.803  439.510   61.803   0.0000   0.0000  186.111   13.387  ?   ?  0.000000 13.38746 
1 1 1    3   -3   28 f  172.551   10.308  375.633   44.214  407.991   57.045  326.948   69.972  179.365   12.820  159.226   17.909 20.13908 22.02454 
1 1 1    3   -3   29 o   61.132   13.686   49.087   20.373   37.606   30.522   58.312   27.360   55.734   18.647   66.438   16.552 -10.70337 24.93360 
1 1 1    3   -3   30 f  143.241   10.487  259.560   37.252  293.934   50.094  217.035   55.717  151.900   13.341  129.270   17.727 22.62994 22.18627 
1 1 1    3   -3   31 o   47.557   14.900   28.489   19.677  -2.9460   32.765   46.223   24.609   40.697   17.592   59.288   16.173 -18.59111 23.89694 
1 1 1    3   -3   32 o  167.049   14.155  356.758   58.491  353.811   99.433  358.317   72.329  162.339   25.357  166.344   17.683 -4.004761 30.91399 
1 1 1    3   -3   33 o   66.653   14.680   58.768   23.773   89.808   38.522   39.676   30.213   81.783   19.192   56.409   18.540 25.37399 26.68458 
1 1 1    3   -3   34 o   65.721   15.283   57.540   24.607   66.973   40.758   52.129   30.868   70.817   21.308   62.739   18.464 8.077591 28.19533 
1 1 1    3   -3   35 o   57.032   16.368   43.236   24.532   18.771   41.438   56.437   30.439   51.577   20.827   64.740   18.115 -13.16284 27.60278 
1 1 1    3   -3   37 o   80.847   14.748   87.658   28.678  186.766   48.449   34.204   35.581  117.797   16.959   54.279   19.968 63.51862 26.19795 
1 1 1    3   -3   38 o   54.143   16.817   39.453   25.127   50.646   47.365   35.069   29.642   63.032   23.061   52.674   18.356 10.35756 29.47489 
1 1 1    3   -3   39 o   78.155   15.394   83.656   28.975  178.885   52.464   41.860   34.757  112.827   19.315   56.622   19.869 56.20446 27.71007 
1 1 1    3   -3   40 o   57.182   18.677   45.106   30.679   79.726   89.620   40.511   32.652   75.618   30.595   55.252   19.265 20.36565 36.15553 
1 1 1    3   -3   41 o   85.868   16.414  103.540   33.912  201.249   62.409   62.603   40.396  115.698   22.411   65.255   21.438 50.44250 31.01292 
1 1 1    3   -3   42 o  139.133   13.329  261.666   45.742  518.057   77.169  122.781   56.796  192.833   16.175   86.519   24.928 106.3145 29.71546 
1 1 1    3   -2    0 o  511.652   16.096  3280.97  205.656  3155.83  290.672  3406.41  291.013  500.782   23.244  520.429   22.392 -19.64722 32.27512 
1 1 1    3   -2    1 o  192.891   12.349  467.523   59.172  465.366   83.669  469.681   83.695  191.807   17.667  192.714   17.585 -0.9068146 24.92701 
1 1 1    3   -2    2 o  223.492   13.172  627.511   73.188  671.613  103.542  583.476  103.464  230.631   18.124  214.663   19.514 15.96747 26.63256 
1 1 1    3   -2    3 o  205.049   8.8508  525.668   45.320  529.927   64.102  521.411   64.083  205.358   12.560  203.685   12.662 1.672577 17.83466 
1 1 1    3   -2    4 o   94.983   7.2989  113.421   17.180  106.898   24.289  119.952   24.303   91.798   10.802   97.397   10.141 -5.598236 14.81637 
1 1 1    3   -2    5 f  161.628   8.0599  326.640   32.531  310.436   45.953  342.917   46.058  157.001   11.807  165.117   11.237 -8.115799 16.29992 
1 1 1    3   -2    6 o  602.101   18.891  4568.84  284.037  4553.26  401.635  4584.42  401.744  598.237   26.885  600.316   26.799 -2.078796 37.96029 
1 1 1    3   -2    7 f  406.972   13.617  2079.56  138.391  2080.48  195.644  2078.64  195.784  405.924   19.301  405.739   19.323 0.1849670 27.31118 
1 1 1    3   -2    8 o  230.631   9.4453  665.993   54.398  667.738   76.786  664.234   77.077  230.222   13.414  229.602   13.502 0.6202698 19.03314 
1 1 1    3   -2    9 o  252.024   14.420  800.400   90.373  913.496  127.549  686.382  128.068  268.400   19.156  231.748   22.409 36.65189 29.48096 
1 1 1    3   -2   10 o  320.578   11.474  1287.25   91.850  1258.98  129.726  1315.67  130.066  316.083   16.492  323.602   16.095 -7.518433 23.04479 
1 1 1    3   -2   11 o   99.375   7.4469  124.126   18.346  133.068   25.635  114.740   26.266  102.637   10.134   95.083   11.282 7.554008 15.16546 
1 1 1    3   -2   12 o   53.493   7.8180   36.518   10.135   37.075   13.768   35.860   14.974   53.500   10.679   52.503   11.718 0.9965591 15.85466 
1 1 1    3   -2   13 o  155.591   13.365  305.269   51.425   0.0000   0.0000  305.269   51.425  ?   ?   155.591   13.365 0.000000 13.36511 
1 1 1    3   -2   14 o  868.207   55.282  9841.26  1192.32  9841.26  1192.32   0.0000   0.0000  868.207   55.282  ?   ?  0.000000 55.28215 
1 1 1    3   -2   15 o  945.832   32.834 11334.20  775.520 11970.86  950.634 10067.46  1340.93  969.006   39.286  873.569   61.870 95.43707 73.28856 
1 1 1    3   -2   16 o  485.694   18.055  2958.91  218.983  3080.18  268.520  2718.10  378.386  495.043   21.721  461.925   33.021 33.11765 39.52435 
1 1 1    3   -2   17 o  189.779   11.022  452.027   52.011  363.857   64.069  622.436   89.071  169.730   15.280  222.257   16.159 -52.52652 22.23920 
1 1 1    3   -2   18 o  491.420   18.578  3032.68  227.988  2913.97  279.386  3269.28  394.439  480.924   23.264  506.637   31.331 -25.71350 39.02310 
1 1 1    3   -2   19 o  242.695   19.870  745.924  119.368  745.924  119.368   0.0000   0.0000  242.695   19.870  ?   ?  0.000000 19.87020 
1 1 1    3   -2   20 o  239.477   10.801  718.006   64.590  779.202   80.065  603.961  109.300  248.998   12.921  217.972   20.314 31.02611 24.07534 
1 1 1    3   -2   21 o  283.377   12.738  1007.20   90.140  967.874  111.038  1083.19  154.365  276.955   16.125  291.942   21.321 -14.98709 26.73224 
1 1 1    3   -2   22 o  324.632   14.145  1324.67  114.670  1166.36  140.841  1635.97  197.501  303.311   18.686  358.379   22.178 -55.06735 29.00003 
1 1 1    3   -2   23 o  274.631   11.897  947.055   81.588  990.223  100.903  865.529  138.665  280.077   14.476  260.038   21.548 20.03876 25.95934 
1 1 1    3   -2   24 o  398.660   19.313  2018.84  192.265  2047.28  274.300  1991.38  269.569  396.956   27.848  391.528   27.751 5.428406 39.31439 
1 1 1    3   -2   25 f  175.042   10.821  386.342   47.070  354.697   59.159  440.936   77.704  167.062   14.319  185.805   16.933 -18.74226 22.17547 
1 1 1    3   -2   26 o  354.276   15.057  1587.07  133.211  1463.16  163.881  1828.38  228.697  338.210   19.487  375.666   24.513 -37.45547 31.31470 
1 1 1    3   -2   27 o  161.130   9.7079  327.150   38.880  367.384   50.198  266.828   61.465  170.418   11.870  143.891   17.464 26.52727 21.11568 
1 1 1    3   -2   28 o  180.782   9.8978  411.762   44.514  475.769   57.163  313.147   70.953  194.003   11.856  155.661   18.623 38.34270 22.07668 
1 1 1    3   -2   29 o  115.845   18.974  175.593   52.987  175.593   52.987   0.0000   0.0000  115.845   18.974  ?   ?  0.000000 18.97364 
1 1 1    3   -2   30 o  158.507   10.533  317.424   41.455  341.918   54.595  284.072   63.706  163.947   13.454  148.330   17.538 15.61754 22.10426 
1 1 1    3   -2   31 o   96.439   11.491  118.841   27.129  147.176   40.098   94.922   36.841  106.593   15.520   84.681   17.978 21.91256 23.75005 
1 1 1    3   -2   32 f   88.421   13.565  101.201   28.996   52.360   42.325  144.400   39.805   65.290   21.958  105.480   15.581 -40.19008 26.92436 
1 1 1    3   -2   33 o  219.589   13.734  614.264   74.933  765.506  121.050  520.305   95.411  242.581   20.166  200.048   19.340 42.53297 27.94114 
1 1 1    3   -2   34 o   96.241   12.691  119.481   29.756  148.316   45.955   98.663   39.047  105.907   18.022   85.802   18.748 20.10568 26.00524 
1 1 1    3   -2   35 o  144.671   11.532  267.251   41.315  305.329   58.454  229.239   58.403  153.399   15.471  131.705   18.248 21.69423 23.92345 
1 1 1    3   -2   36 o   88.021   18.560  105.158   39.511   0.0000   0.0000  105.158   39.511  ?   ?    88.021   18.560 0.000000 18.55988 
1 1 1    3   -2   37 f   83.676   26.091  100.066   60.417  100.066   60.417   0.0000   0.0000   83.676   26.091  ?   ?  0.000000 26.09068 
1 1 1    3   -2   38 f   83.478   14.487   93.272   29.103  182.905   50.873   49.667   35.483  115.789   18.194   60.953   20.095 54.83596 27.10790 
1 1 1    3   -2   39 o  106.075   13.652  149.181   35.323  177.114   56.546  131.305   45.236  111.657   21.052   96.666   19.414 14.99132 28.63695 
1 1 1    3   -2   40 o   41.323   16.000   16.486   23.527 -18.1751   49.821   26.435   26.691   44.632   20.322   47.359   17.314 -2.727337 26.69757 
1 1 1    3   -2   41 o   49.567   17.928   30.501   28.509   27.931   91.168   30.780   30.015   65.544   28.819   50.117   18.354 15.42673 34.16784 
1 1 1    3   -2   42 o   54.746   18.391   41.534   29.691   2.2632   61.657   53.389   33.877   52.177   23.279   60.814   19.609 -8.637417 30.43714 
1 1 1    3   -1    0 o   82.180   7.2215   85.036   14.669   88.482   20.766   81.603   20.726   83.507   10.168   80.082   10.626 3.424706 14.70739 
1 1 1    3   -1    1 o  284.000   10.305  1008.58   73.081  1001.85  103.331  1015.31  103.373  282.452   14.701  284.358   14.607 -1.906433 20.72371 
1 1 1    3   -1    2 o  218.236   9.1479  595.398   49.854  588.303   70.512  602.490   70.496  216.398   13.110  219.017   12.947 -2.619125 18.42571 
1 1 1    3   -1    3 o  254.981   14.143  816.775   89.698  811.490  126.813  822.066  126.890  253.345   20.213  255.020   20.088 -1.675430 28.49708 
1 1 1    3   -1    4 o  511.300   23.325  3294.17  297.822  3333.33  421.208  3255.01  421.159  510.937   33.192  504.735   33.606 6.202393 47.23476 
1 1 1    3   -1    5 o  467.597   15.190  2741.99  177.372  2683.41  250.776  2800.63  250.907  461.516   21.760  471.576   21.306 -10.05972 30.45391 
1 1 1    3   -1    6 o  341.116   11.935  1457.54  101.666  1440.52  143.736  1474.58  143.818  338.129   17.078  342.565   16.812 -4.435883 23.96471 
1 1 1    3   -1    7 o  310.245   11.211  1205.86   86.856  1214.58  122.794  1197.13  122.871  310.438   15.893  308.171   16.022 2.267334 22.56737 
1 1 1    3   -1    8 o   97.118   7.4194  118.649   17.858  123.167   25.088  114.010   25.424   98.624   10.341   94.760   10.945 3.864037 15.05752 
1 1 1    3   -1    9 o  461.869   15.005  2682.01  173.067  2680.56  244.661  2683.46  244.846  460.141   21.292  460.388   21.297 -0.2470703 30.11517 
1 1 1    3   -1   10 o  374.634   18.255  1768.47  170.779  1791.69  241.173  1745.12  241.865  374.510   25.948  369.445   26.390 5.065643 37.00974 
1 1 1    3   -1   11 o  342.998   12.035  1473.65  103.086  1500.98  145.721  1446.28  145.851  345.629   16.883  338.788   17.297 6.841217 24.17122 
1 1 1    3   -1   12 o  203.915   9.3240  519.982   47.479  541.199   67.044  498.635   67.248  207.479   13.006  199.052   13.611 8.426682 18.82543 
1 1 1    3   -1   13 o  572.279   20.825  4116.27  297.611  3994.84  364.048  4360.94  516.756  562.763   25.905  584.347   35.583 -21.58411 44.01353 
1 1 1    3   -1   14 o  1437.54   43.705 26491.82  1568.92 25999.35  2218.17 26984.84  2219.41  1404.26   63.255  1432.04   62.063 -27.78430 88.61716 
1 1 1    3   -1   15 f  512.854   18.650  3299.45  238.854  3498.43  292.878  2904.28  412.741  527.574   22.231  477.180   34.879 50.39420 41.36123 
1 1 1    3   -1   16 o  927.616   40.041 10977.37  927.519  9952.76  1310.59 12005.48  1312.83  869.521   60.740  959.692   55.010 -90.17059 81.94771 
1 1 1    3   -1   17 o  507.509   18.786  3232.01  238.078  3028.42  291.562  3639.39  412.425  490.526   23.802  535.401   30.980 -44.87546 39.06764 
1 1 1    3   -1   18 o  290.083   12.569  1053.21   91.049  1035.11  111.902  1088.68  156.617  286.962   15.675  293.471   21.521 -6.508514 26.62444 
1 1 1    3   -1   19 o  398.431   15.840  1990.75  157.599  1926.87  193.310  2117.37  272.150  391.006   19.863  408.402   26.834 -17.39621 33.38612 
1 1 1    3   -1   20 o  124.308   9.3555  194.375   28.828  209.545   36.710  169.968   46.564  128.860   11.530  115.171   16.676 13.68894 20.27359 
1 1 1    3   -1   21 o  105.985   16.582  144.524   42.448  144.524   42.448   0.0000   0.0000  105.985   16.582  ?   ?  0.000000 16.58202 
1 1 1    3   -1   22 o  305.772   13.564  1173.75  103.574  1108.38  127.404  1301.16  177.864  296.141   17.303  319.695   22.421 -23.55365 28.32152 
1 1 1    3   -1   23 o  257.884   12.431  834.928   80.057  767.849   98.782  963.308  136.657  246.332   16.148  275.107   20.030 -28.77481 25.72808 
1 1 1    3   -1   24 f  491.728   18.851  3064.15  231.483  2913.68  283.868  3362.80  399.925  477.416   23.811  507.484   31.717 -30.06812 39.65974 
1 1 1    3   -1   25 o  155.425   10.468  304.564   40.392  279.700   50.997  346.420   66.166  148.344   13.930  164.745   16.297 -16.40047 21.43884 
1 1 1    3   -1   26 o  104.169   14.266  139.405   36.135   51.931   59.559  190.361   45.457   70.188   25.832  121.807   15.281 -51.61891 30.01366 
1 1 1    3   -1   27 o  220.089   11.325  610.763   62.032  595.897   77.456  637.350  103.586  216.736   14.393  222.979   18.778 -6.242981 23.65931 
1 1 1    3   -1   28 o  324.164   14.142  1327.67  114.476  1254.35  141.296  1467.73  195.292  313.411   18.131  336.696   23.372 -23.28461 29.58010 
1 1 1    3   -1   29 o   93.168   11.717  110.978   26.657   81.845   36.698  143.519   38.785   78.563   18.929  105.432   15.168 -26.86932 24.25663 
1 1 1    3   -1   30 o  242.021   20.984  757.225  125.564  757.225  125.564   0.0000   0.0000  242.021   20.984  ?   ?  0.000000 20.98356 
1 1 1    3   -1   31 o  339.248   13.857  1455.76  117.389  1517.02  145.977  1343.63  197.488  345.216   16.933  320.527   24.868 24.68857 30.08557 
1 1 1    3   -1   32 o  159.481   10.769  321.662   42.637  350.898   57.134  284.917   64.052  165.919   13.918  148.425   17.626 17.49359 22.45841 
1 1 1    3   -1   33 o  118.791   12.471  180.253   36.441  132.859   50.898  230.095   52.196   99.651   21.110  133.510   15.973 -33.85865 26.47219 
1 1 1    3   -1   34 f  289.583   13.123  1063.49   94.900  1084.21  119.676  1028.40  155.762  290.628   16.559  279.840   22.479 10.78802 27.91948 
1 1 1    3   -1   35 o  134.741   14.547  234.401   48.169  230.225   92.545  235.952   56.413  127.603   29.614  134.328   17.213 -6.725784 34.25333 
1 1 1    3   -1   36 o  141.700   17.193  263.822   59.592  263.822   59.592   0.0000   0.0000  141.700   17.193  ?   ?  0.000000 17.19303 
1 1 1    3   -1   37 o  107.417   12.951  149.906   34.038  181.669   53.566  128.395   44.082  115.970   19.166   97.239   18.834 18.73098 26.87149 
1 1 1    3   -1   38 f  158.498   12.338  324.759   48.448  320.796   67.156  329.061   69.963  154.806   17.689  156.480   18.247 -1.673721 25.41402 
1 1 1    3   -1   39 o  103.523   23.450  155.323   59.215  155.323   59.215   0.0000   0.0000  103.523   23.450  ?   ?  0.000000 23.44958 
1 1 1    3   -1   40 o   55.617   17.244   42.012   26.435   4.9245   51.102   55.562   30.889   50.456   21.890   63.111   18.441 -12.65425 28.62297 
1 1 1    3   -1   41 o   83.738   16.066   96.674   32.373  149.237   58.876   73.895   38.758   99.603   23.963   71.447   20.594 28.15585 31.59633 
1 1 1    3   -1   42 o   58.660   17.982   48.528   28.836   40.770   60.124   50.846   32.863   61.145   24.941   59.974   19.310 1.170639 31.54257 
1 1 1    3   -1   43 o   91.731   16.634  118.890   36.701  219.667   72.647   84.357   42.526  117.233   25.538   74.299   21.617 42.93365 33.45885 
1 1 1    3    0    0 o  837.044   25.629  8826.03  535.717  8966.91  757.771  8685.25  757.466  840.050   36.123  826.521   36.699 13.52966 51.49473 
1 1 1    3    0    1 o  209.365   8.9436  547.907   46.759  576.204   66.165  519.673   66.090  214.237   12.421  203.354   13.084 10.88225 18.04080 
1 1 1    3    0    2 o  321.537   11.262  1293.18   90.426  1258.03  127.842  1328.38  127.923  316.421   16.234  325.606   15.733 -9.185638 22.60658 
1 1 1    3    0    3 o  148.570   7.9083  276.638   29.235  279.977   41.360  273.304   41.328  149.190   11.183  147.379   11.316 1.811172 15.90942 
1 1 1    3    0    4 o  413.932   13.730  2145.66  141.919  2116.67  200.673  2174.66  200.734  410.502   19.576  416.121   19.318 -5.618256 27.50241 
1 1 1    3    0    5 o  280.452   10.492  983.925   73.479  986.414  103.935  981.438  103.893  280.144   14.911  279.431   14.943 0.7126465 21.10979 
1 1 1    3    0    6 o  345.524   17.025  1499.18  146.898  1423.82  207.578  1574.77  207.913  334.731   25.014  352.409   23.765 -17.67712 34.50302 
1 1 1    3    0    7 o  612.674   19.236  4728.21  294.310  4712.76  416.172  4743.68  416.262  608.949   27.368  610.977   27.283 -2.027405 38.64400 
1 1 1    3    0    8 o  253.793   9.8324  806.442   62.315  781.622   88.022  831.379   88.231  249.087   14.210  256.982   13.799 -7.894058 19.80777 
1 1 1    3    0    9 o  222.276   9.2359  618.514   51.265  635.716   72.408  601.223   72.593  224.692   12.960  218.430   13.373 6.262024 18.62225 
1 1 1    3    0   10 o  201.314   8.8517  507.191   44.499  518.865   62.810  495.427   63.053  203.012   12.450  198.309   12.801 4.702805 17.85655 
1 1 1    3    0   11 o  162.302   8.4522  330.390   34.138  338.266   48.125  322.412   48.433  163.883   11.839  159.928   12.220 3.954575 17.01447 
1 1 1    3    0   12 o  311.030   22.994  1227.16  177.327   0.0000   0.0000  1227.16  177.327  ?   ?   311.030   22.994 0.000000 22.99387 
1 1 1    3    0   13 o  288.030   10.750  1037.79   77.320  1038.73  109.116  1036.84  109.578  287.487   15.254  287.215   15.333 0.2723694 21.62854 
1 1 1    3    0   14 o  898.117   26.928 10176.93  603.929  9827.49  853.600 10527.16  854.570  877.604   38.950  908.948   37.649 -31.34454 54.17162 
1 1 1    3    0   15 o  233.357   10.857  681.014   63.265  718.818   77.707  606.693  108.955  239.308   13.053  218.918   20.157 20.38980 24.01385 
1 1 1    3    0   16 o  799.570   28.122  8066.34  561.515  8383.95  688.195  7433.77  971.209  813.250   33.887  756.695   51.707 56.55493 61.82208 
1 1 1    3    0   17 o  799.557   35.032  8115.33  699.463  7783.21  989.190  8447.46  989.190  774.193   51.459  807.954   49.263 -33.76172 71.23815 
1 1 1    3    0   18 o  458.900   17.428  2640.92  199.715  2642.52  244.863  2637.76  345.176  458.533   21.385  455.596   30.516 2.936951 37.26298 
1 1 1    3    0   19 o  347.407   14.466  1511.98  125.500  1390.58  153.926  1752.70  216.753  332.293   18.625  372.321   23.432 -40.02866 29.93272 
1 1 1    3    0   20 o  398.035   15.638  1987.08  155.435  1986.17  190.788  1988.87  268.045  397.489   19.221  395.500   27.307 1.989899 33.39365 
1 1 1    3    0   21 o  216.666   11.326  589.393   61.069  547.589   75.521  668.376  103.806  208.426   14.602  229.819   18.238 -21.39264 23.36310 
1 1 1    3    0   22 o  292.789   22.264  1090.36  161.563  1090.36  161.563   0.0000   0.0000  292.789   22.264  ?   ?  0.000000 22.26392 
1 1 1    3    0   23 o  681.271   24.552  5905.74  417.688  6082.42  512.189  5554.98  721.691  688.342   29.797  645.295   45.069 43.04688 54.02859 
1 1 1    3    0   24 o  363.136   15.023  1660.58  136.234  1578.54  167.396  1821.51  234.449  352.644   19.080  376.716   25.065 -24.07202 31.50079 
1 1 1    3    0   25 o  431.732   16.745  2356.12  180.526  2361.48  221.769  2345.60  310.811  430.866   20.611  424.429   29.509 6.436707 35.99434 
1 1 1    3    0   26 f  172.235   10.608  373.851   45.402  357.938   57.140  401.104   74.778  167.983   13.742  177.161   17.116 -9.177750 21.94979 
1 1 1    3    0   27 o   98.907   13.951  125.771   33.500   63.936   56.903  158.570   41.443   73.507   25.443  110.981   15.366 -37.47408 29.72357 
1 1 1    3    0   28 o   61.928   13.237   50.176   19.851   17.097   28.430   81.644   27.729   45.460   17.592   79.179   14.561 -33.71959 22.83622 
1 1 1    3    0   29 o  132.363   9.5647  221.068   31.402  275.893   42.274  153.580   46.903  147.621   11.560  108.521   17.934 39.10042 21.33715 
1 1 1    3    0   30 o  326.714   14.389  1349.81  117.392  1260.27  145.157  1519.06  199.581  313.852   18.604  342.294   23.491 -28.44241 29.96563 
1 1 1    3    0   31 o  267.902   13.584  909.055   90.577  787.132  112.887  1129.42  151.763  247.755   18.377  296.042   20.658 -48.28671 27.64920 
1 1 1    3    0   32 o  227.886   20.917  672.915  117.702  672.915  117.702   0.0000   0.0000  227.886   20.917  ?   ?  0.000000 20.91654 
1 1 1    3    0   33 o  114.392   12.139  166.951   34.147  138.265   48.446  195.273   48.137  102.175   19.701  122.912   16.068 -20.73634 25.42284 
1 1 1    3    0   34 o   98.490   12.900  124.778   30.964  102.017   46.460  142.967   41.533   87.078   21.496  104.671   16.431 -17.59274 27.05618 
1 1 1    3    0   35 o  166.361   17.791  359.735   72.764   0.0000   0.0000  359.735   72.764  ?   ?   166.361   17.791 0.000000 17.79086 
1 1 1    3    0   36 o  329.315   16.023  1394.68  131.767  1718.11  198.472  1139.76  176.202  360.185   22.174  291.323   24.447 68.86258 33.00477 
1 1 1    3    0   37 o  183.406   10.931  428.559   49.835  537.647   68.864  308.613   72.210  204.440   13.566  152.154   19.450 52.28676 23.71357 
1 1 1    3    0   38 o  146.528   11.678  275.995   42.377  336.275   61.487  221.456   58.486  160.131   15.574  128.207   18.829 31.92447 24.43483 
1 1 1    3    0   39 f  190.624   11.856  468.517   56.159  531.805   77.016  396.655   82.066  200.964   15.465  170.738   19.603 30.22681 24.96940 
1 1 1    3    0   40 o  166.841   25.227  404.987  101.822  404.987  101.822   0.0000   0.0000  166.841   25.227  ?   ?  0.000000 25.22664 
1 1 1    3    0   41 o  137.073   12.626  246.383   42.731  330.330   66.622  187.709   55.698  155.712   17.433  115.388   20.058 40.32404 26.57457 
1 1 1    3    0   42 o   41.440   16.118   16.497   23.959   81.365   57.280   2.7417   26.377   73.933   25.531   37.269   15.942 36.66431 30.09980 
1 1 1    3    0   43 o   54.612   18.100   41.050   28.774   67.179   61.845   33.832   32.506   68.549   26.093   51.902   19.087 16.64725 32.32850 
1 1 1    3    0   44 f   77.531   19.355   89.461   37.356  311.246  108.377   59.559   39.795  128.813   33.409   63.295   21.292 65.51851 39.61714 
1 1 1    3    1    0 o  423.411   12.473  2243.14  131.877  2209.67  186.452  2276.64  186.551  419.785   17.786  426.125   17.531 -6.340210 24.97396 
1 1 1    3    1    1 o  173.311   8.1409  375.375   35.233  371.739   49.822  379.012   49.832  171.995   11.669  173.688   11.555 -1.693481 16.42212 
1 1 1    3    1    2 o  115.339   7.4020  166.912   21.207  172.843   30.002  160.990   29.981  117.113   10.366  112.950   10.759 4.162537 14.94027 
1 1 1    3    1    3 o  153.100   7.9458  293.718   30.274  290.422   42.804  297.017   42.824  151.949   11.363  153.686   11.236 -1.737213 15.98024 
1 1 1    3    1    4 o  1136.96   34.555 16430.88  981.071 16818.47  1387.87 16043.76  1387.02  1140.35   48.737  1112.84   49.911 27.51172 69.75963 
1 1 1    3    1    5 o  648.927   20.209  5293.04  327.490  5405.83  463.268  5180.38  463.013  653.699   28.379  639.744   28.982 13.95502 40.56323 
1 1 1    3    1    6 o  406.120   13.564  2066.22  137.563  2072.39  194.555  2060.05  194.531  406.050   19.187  404.831   19.243 1.219269 27.17407 
1 1 1    3    1    7 o  413.884   19.563  2156.31  202.190  2080.42  285.773  2232.37  286.107  403.746   28.528  418.606   27.523 -14.86008 39.64041 
1 1 1    3    1    8 o  334.828   16.663  1409.86  139.320  1339.31  196.862  1480.64  197.195  324.125   24.503  341.215   23.282 -17.09024 33.80007 
1 1 1    3    1    9 o  648.498   19.969  5313.38  323.387  5445.65  457.413  5181.20  457.264  652.794   28.060  636.370   28.774 16.42377 40.19091 
1 1 1    3    1   10 o  381.785   12.965  1829.30  123.607  1829.04  174.725  1829.56  174.888  380.776   18.375  380.828   18.390 -0.5163574E-01 25.99696 
1 1 1    3    1   11 o  150.649   11.333  285.969   42.324   0.0000   0.0000  285.969   42.324  ?   ?   150.649   11.333 0.000000 11.33337 
1 1 1    3    1   12 o  252.383   13.845  801.112   86.927  801.112   86.927   0.0000   0.0000  252.383   13.845  ?   ?  0.000000 13.84546 
1 1 1    3    1   13 o  443.320   20.707  2472.50  229.236  2455.27  323.656  2489.84  324.724  439.076   29.693  442.203   29.577 -3.126709 41.91029 
1 1 1    3    1   14 o  620.031   22.167  4835.68  343.211  4423.78  593.427  5042.70  420.712  586.609   40.764  632.128   26.652 -45.51862 48.70326 
1 1 1    3    1   15 o  248.172   11.551  770.414   71.582  688.358   87.697  934.222  123.908  233.950   15.092  272.298   18.329 -38.34818 23.74254 
1 1 1    3    1   16 o  357.466   14.486  1599.90  129.308  1512.47  158.438  1774.33  223.775  346.791   18.361  374.787   24.037 -27.99631 30.24681 
1 1 1    3    1   17 o  614.297   22.107  4742.18  339.125  4914.02  415.679  4400.17  586.430  624.417   26.658  586.072   40.315 38.34491 48.33162 
1 1 1    3    1   18 o  187.213   10.893  439.810   50.706  365.562   62.443  583.560   86.885  170.209   14.839  215.186   16.290 -44.97739 22.03551 
1 1 1    3    1   19 o  415.923   20.100  2172.96  208.767  1843.28  295.678  2500.70  294.806  380.197   31.425  444.401   26.689 -64.20483 41.22858 
1 1 1    3    1   20 o  867.800   30.853  9553.35  668.599  9592.90  819.130  9474.38  1157.29  866.146   37.871  848.340   54.924 17.80542 66.71468 
1 1 1    3    1   21 f  340.062   14.117  1449.63  119.879  1416.94  147.272  1513.81  206.381  335.379   17.647  345.401   24.078 -10.02213 29.85222 
1 1 1    3    1   22 o  315.532   13.308  1248.34  104.862  1248.66  129.045  1247.72  179.920  314.800   16.473  313.302   23.161 1.498016 28.42147 
1 1 1    3    1   23 o  457.796   17.722  2640.20  202.600  2537.08  248.484  2844.70  349.926  447.630   22.229  470.464   29.941 -22.83478 37.29079 
1 1 1    3    1   24 o  390.251   27.392  1959.16  265.252  1959.16  265.252   0.0000   0.0000  390.251   27.392  ?   ?  0.000000 27.39202 
1 1 1    3    1   25 f  508.873   19.297  3281.96  245.217  3196.19  300.766  3452.00  423.500  500.115   24.083  513.550   33.201 -13.43481 41.01575 
1 1 1    3    1   26 o  316.071   13.322  1257.61  105.146  1264.99  129.679  1243.45  179.646  315.897   16.496  310.879   23.310 5.017853 28.55690 
1 1 1    3    1   27 o  237.703   11.735  710.440   69.657  688.893   86.540  750.087  117.388  233.105   14.946  241.999   19.593 -8.894562 24.64253 
1 1 1    3    1   28 f  174.986   10.346  385.863   45.010  393.718   57.287  373.192   72.759  176.281   13.107  170.667   17.312 5.613907 21.71401 
1 1 1    3    1   29 o  105.187   13.626  141.863   34.950  100.302   60.542  162.635   42.802   87.220   25.908  112.303   15.691 -25.08264 30.28922 
1 1 1    3    1   30 o   97.753   12.381  122.261   29.545   58.391   39.958  199.291   43.882   67.702   21.236  124.787   14.343 -57.08434 25.62586 
1 1 1    3    1   31 o  437.466   17.338  2433.92  189.411  2388.61  233.277  2521.57  324.490  430.623   21.764  436.599   29.943 -5.975891 37.01719 
1 1 1    3    1   32 o  140.250   11.799  249.525   40.939  195.888   54.294  320.203   62.325  122.676   18.282  158.059   16.011 -35.38324 24.30196 
1 1 1    3    1   33 o  126.978   21.030  212.449   64.350  212.449   64.350   0.0000   0.0000  126.978   21.030  ?   ?  0.000000 21.02991 
1 1 1    3    1   34 o  129.383   10.880  212.343   34.827  268.476   50.645  161.986   47.969  144.873   14.181  111.267   17.869 33.60668 22.81213 
1 1 1    3    1   35 o   67.338   15.874   60.108   26.257   9.8702   45.735   84.807   32.068   51.498   21.451   80.062   16.585 -28.56397 27.11508 
1 1 1    3    1   36 o  329.207   15.237  1385.77  125.262  1273.61  156.486  1585.81  208.986  312.289   20.174  345.179   24.402 -32.88995 31.66181 
1 1 1    3    1   37 o   77.882   15.887   80.760   29.851  156.897   81.307   68.898   32.092  104.699   29.717   71.485   17.991 33.21371 34.73831 
1 1 1    3    1   38 o  187.633   11.594  450.216   54.058  511.383   74.355  381.638   78.731  198.421   15.120  169.368   18.939 29.05287 24.23466 
1 1 1    3    1   39 o   92.788   14.888  114.334   33.330   66.966   52.896  145.525   42.924   71.011   24.534  104.026   17.119 -33.01505 29.91620 
1 1 1    3    1   40 o  137.771   12.271  246.481   41.774  308.431   63.835  200.079   55.246  151.607   17.163  120.856   18.927 30.75128 25.55004 
1 1 1    3    1   41 o  116.055   29.419  210.698   85.375  210.698   85.375   0.0000   0.0000  116.055   29.419  ?   ?  0.000000 29.41937 
1 1 1    3    1   42 o   51.643   17.372   34.897   26.492   42.346   55.501   32.699   30.147   61.621   24.362   51.432   18.458 10.18861 30.56455 
1 1 1    3    1   43 o   39.770   16.015   12.348   24.430   18.099   59.019   11.159   26.837   55.583   23.814   40.563   16.618 15.02081 29.03847 
1 1 1    3    1   44 o  160.060   13.791  344.240   54.583  395.470   84.413  307.427   71.555  164.374   21.048  145.560   20.233 18.81448 29.19587 
1 1 1    3    2    0 o  644.143   19.189  5206.86  308.656  5232.63  436.530  5181.09  436.481  644.117   27.139  640.905   27.272 3.211792 38.47491 
1 1 1    3    2    1 o  255.458   9.5138  815.827   60.691  814.856   85.828  816.797   85.833  254.787   13.538  255.093   13.523 -0.3060608 19.13480 
1 1 1    3    2    2 o  532.939   16.959  3560.43  225.700  3595.73  319.234  3525.16  319.143  534.526   23.916  529.214   24.149 5.311829 33.98770 
1 1 1    3    2    3 o  357.469   12.136  1598.84  108.333  1568.90  153.163  1628.82  153.248  353.721   17.340  360.440   17.026 -6.719025 24.30126 
1 1 1    3    2    4 o  970.128   29.540 11903.58  715.643 12109.35  1012.30 11697.98  1011.85  972.321   41.691  955.240   42.418 17.08154 59.47674 
1 1 1    3    2    5 o  147.684   7.8583  273.362   28.877  273.197   40.846  273.526   40.830  147.352   11.184  147.443   11.172 -0.9072876E-01 15.80815 
1 1 1    3    2    6 o  138.850   7.7028  241.710   26.603  242.568   37.632  240.852   37.614  138.808   10.945  138.310   10.981 0.4981537 15.50404 
1 1 1    3    2    7 o  791.639   24.316  7917.36  480.701  7952.74  679.848  7881.99  679.778  788.742   34.516  785.144   34.671 3.598328 48.92310 
1 1 1    3    2    8 o  422.333   14.025  2237.65  147.914  2223.84  209.141  2251.47  209.222  420.013   19.940  422.638   19.824 -2.624878 28.11744 
1 1 1    3    2    9 o  780.153   34.504  7857.71  672.198  7349.89  949.828  8367.25  951.437  738.011   51.868  791.419   48.374 -53.40839 70.92487 
1 1 1    3    2   10 o  455.940   14.700  2612.77  167.369  2512.98  236.480  2712.93  236.913  445.554   21.254  463.165   20.483 -17.61130 29.51789 
1 1 1    3    2   11 o   73.263   7.2342   67.771   13.062   64.865   18.148   70.894   18.816   71.202   10.524   74.523   10.394 -3.321106 14.79108 
1 1 1    3    2   12 o  541.154   17.251  3683.17  233.124  3629.48  329.541  3736.95  329.832  535.175   24.658  543.151   24.318 -7.975220 34.63207 
1 1 1    3    2   13 o  340.422   11.985  1451.00  101.885  1422.84  143.946  1479.27  144.229  336.172   17.205  343.257   16.826 -7.084900 24.06478 
1 1 1    3    2   14 o  468.427   15.301  2749.91  178.988  2794.36  253.094  2705.43  253.160  471.347   21.503  463.729   21.862 7.618103 30.66409 
1 1 1    3    2   15 o  738.573   47.047  7049.18  863.189  7049.18  863.189   0.0000   0.0000  738.573   47.047  ?   ?  0.000000 47.04663 
1 1 1    3    2   16 o  630.145   22.778  4992.07  358.430  4993.05  439.091  4990.10  620.520  629.120   27.949  624.391   40.007 4.729553 48.80312 
1 1 1    3    2   17 o  483.838   18.158  2935.51  219.394  2865.35  268.770  3075.62  379.807  477.467   22.542  492.286   31.055 -14.81860 38.37340 
1 1 1    3    2   18 o  177.695   10.421  396.173   46.041  356.045   56.718  473.707   78.839  168.109   13.628  193.740   16.451 -25.63100 21.36265 
1 1 1    3    2   19 o  889.125   31.347 10008.18  696.009  9707.38  852.281 10610.45  1205.96  872.325   39.125  902.123   53.777 -29.79865 66.50319 
1 1 1    3    2   20 o  822.791   35.996  8624.45  739.596  7998.45  1045.60  9251.26  1046.29  781.156   53.932  843.163   49.915 -62.00635 73.48561 
1 1 1    3    2   21 o  310.757   13.661  1209.85  106.012  1090.40  130.168  1445.17  182.697  294.141   17.805  338.079   21.756 -43.93774 28.11305 
1 1 1    3    2   22 o  382.476   15.039  1835.50  143.637  1862.39  176.465  1782.70  247.264  384.807   18.364  374.088   26.643 10.71933 32.35873 
1 1 1    3    2   23 o  429.406   16.554  2318.62  177.513  2341.01  217.930  2274.48  306.001  430.718   20.262  421.205   29.274 9.513489 35.60213 
1 1 1    3    2   24 o  780.012   28.016  7781.91  545.707  7866.28  668.829  7613.88  943.846  779.569   34.357  750.230   50.677 29.33838 61.22512 
1 1 1    3    2   25 o  301.599   22.876  1164.01  171.008  1164.01  171.008   0.0000   0.0000  301.599   22.876  ?   ?  0.000000 22.87604 
1 1 1    3    2   26 o  149.151   10.125  280.257   37.488  273.436   47.553  291.457   60.933  146.872   13.103  151.050   16.419 -4.177948 21.00623 
1 1 1    3    2   27 o  296.418   13.072  1106.11   96.761  1069.14  119.477  1176.58  164.950  290.254   16.552  302.725   21.970 -12.47083 27.50708 
1 1 1    3    2   28 o  353.529   14.781  1578.25  130.491  1513.76  160.700  1703.10  223.581  344.574   18.746  362.789   24.828 -18.21500 31.11079 
1 1 1    3    2   29 o   65.299   13.089   55.619   20.600   25.330   29.549   84.260   28.733   49.654   18.207   80.428   14.853 -30.77411 23.49741 
1 1 1    3    2   30 o  226.995   13.351  652.119   75.345  745.484  113.248  577.972  100.922  241.174   18.957  212.086   19.266 29.08774 27.02829 
1 1 1    3    2   31 o  131.326   9.8582  217.783   32.094  263.002   43.619  164.406   47.391  143.986   12.247  112.486   17.435 31.49963 21.30703 
1 1 1    3    2   32 o  129.913   11.278  213.956   36.223  194.476   48.953  237.531   53.852  122.754   16.378  135.912   16.185 -13.15736 23.02601 
1 1 1    3    2   33 o   69.328   13.981   62.906   23.368   44.678   37.708   74.270   29.775   61.028   20.725   75.060   16.348 -14.03220 26.39689 
1 1 1    3    2   34 o   62.083   23.194   39.119   48.354   39.119   48.354   0.0000   0.0000   62.083   23.194  ?   ?  0.000000 23.19360 
1 1 1    3    2   35 o   77.051   21.450   79.159   42.791   79.159   42.791   0.0000   0.0000   77.051   21.450  ?   ?  0.000000 21.44983 
1 1 1    3    2   36 o  230.846   12.942  677.737   74.305  610.213   95.141  783.336  118.979  217.278   17.688  245.447   19.574 -28.16899 26.38243 
1 1 1    3    2   37 o  227.286   11.858  656.897   67.072  704.235   87.882  590.857  103.801  234.054   15.117  212.097   19.828 21.95667 24.93353 
1 1 1    3    2   38 o   80.348   14.828   85.429   28.655   60.509   49.215   98.210   35.245   68.962   23.674   85.627   17.082 -16.66515 29.19351 
1 1 1    3    2   39 o   29.437   12.957  -4.3400   18.469   58.137   77.326  -8.1198   19.020   73.505   28.853   28.570   12.825 44.93587 31.57430 
1 1 1    3    2   40 o  100.035   14.635  132.588   35.479   85.437   57.170  162.120   45.245   77.890   25.499  109.763   17.061 -31.87320 30.67991 
1 1 1    3    2   41 o   56.049   16.601   42.553   24.883   84.369   51.126   29.573   28.484   76.646   24.017   49.868   17.937 26.77759 29.97595 
1 1 1    3    2   42 o   38.884   15.580   11.436   22.995   26.116   53.992   8.1832   25.415   56.980   23.483   38.936   16.085 18.04382 28.46400 
1 1 1    3    2   43 o   56.830   24.137   20.588   59.690   20.588   59.690   0.0000   0.0000   56.830   24.137  ?   ?  0.000000 24.13749 
1 1 1    3    2   44 o  105.540   15.297  152.231   39.140  193.275   69.908  133.491   47.238  111.187   25.694   95.627   20.403 15.56027 32.80958 
1 1 1    3    3    0 o  232.210   13.446  677.240   77.636  691.552  109.814  662.939  109.773  233.988   18.957  229.005   19.377 4.982956 27.10781 
1 1 1    3    3    1 o  389.856   13.026  1902.25  126.816  1906.31  179.356  1898.19  179.335  389.806   18.425  388.971   18.463 0.8343811 26.08385 
1 1 1    3    3    2 o  622.505   19.463  4864.42  302.554  4859.53  427.869  4869.30  427.883  620.517   27.613  621.147   27.585 -0.6303101 39.03089 
1 1 1    3    3    3 o  462.047   15.079  2674.32  173.981  2657.67  246.031  2690.99  246.061  459.841   21.425  462.733   21.294 -2.891785 30.20757 
1 1 1    3    3    4 o  535.829   16.995  3600.37  227.404  3543.99  321.531  3656.80  321.663  530.430   24.274  538.878   23.903 -8.447571 34.06771 
1 1 1    3    3    5 o  307.039   11.116  1179.39   85.227  1185.28  120.542  1173.50  120.516  307.103   15.771  305.559   15.849 1.544220 22.35888 
1 1 1    3    3    6 o  608.735   19.108  4655.81  290.466  4717.69  410.848  4593.97  410.715  610.890   26.932  602.729   27.288 8.161865 38.33993 
1 1 1    3    3    7 o   80.621   6.9590   81.835   13.873   87.495   19.650   76.212   19.588   83.079   9.6516   77.355   10.404 5.724251 14.19155 
1 1 1    3    3    8 o  479.714   15.416  2889.14  184.672  2899.04  261.172  2879.24  261.159  479.219   21.824  477.562   21.899 1.657288 30.91712 
1 1 1    3    3    9 o  380.449   12.538  1815.04  119.120  1874.05  168.483  1756.06  168.440  385.801   17.488  373.354   18.066 12.44705 25.14414 
1 1 1    3    3   10 o  345.344   17.150  1502.36  147.901   0.0000   0.0000  1502.36  147.901  ?   ?   345.344   17.150 0.000000 17.15014 
1 1 1    3    3   11 o  598.385   39.442  4694.85  586.072  4694.85  586.072   0.0000   0.0000  598.385   39.442  ?   ?  0.000000 39.44228 
1 1 1    3    3   12 o   94.937   7.0272  113.296   16.541  105.902   23.099  121.079   23.699   91.396   10.300   97.863   9.8305 -6.467499 14.23845 
1 1 1    3    3   13 o  213.285   9.2585  569.006   49.312  573.522   69.596  564.453   69.880  213.539   13.115  211.818   13.278 1.721146 18.66302 
1 1 1    3    3   14 o  555.465   20.278  3878.99  281.271  3795.86  344.440  4045.36  487.303  548.471   25.148  562.485   34.864 -14.01361 42.98802 
1 1 1    3    3   15 o  524.859   19.173  3458.00  251.300  3308.76  307.688  3757.01  435.521  512.629   24.036  543.536   32.231 -30.90637 40.20631 
1 1 1    3    3   16 o  613.671   39.409  4818.14  600.736  4818.14  600.736   0.0000   0.0000  613.671   39.409  ?   ?  0.000000 39.40940 
1 1 1    3    3   17 o  209.123   12.698  549.183   65.998  479.989   93.238  618.664   93.432  194.636   19.443  221.535   17.019 -26.89871 25.83970 
1 1 1    3    3   18 o  553.015   20.245  3838.96  279.576  3921.91  342.659  3673.78  483.538  558.254   24.580  536.672   36.294 21.58234 43.83384 
1 1 1    3    3   19 o  453.677   17.285  2580.39  195.828  2544.06  240.025  2652.69  338.661  449.991   21.360  457.219   29.825 -7.228210 36.68463 
1 1 1    3    3   20 o  176.248   11.123  390.107   48.706  293.199   60.118  575.225   83.090  152.110   16.070  213.680   15.681 -61.57045 22.45317 
1 1 1    3    3   21 o  410.370   15.934  2111.68  163.284  2117.57  200.373  2100.03  281.721  410.501   19.547  406.526   27.920 3.974976 34.08257 
1 1 1    3    3   22 o  169.641   12.921  362.591   54.323  314.738   79.953  403.623   74.037  156.730   20.953  178.515   16.806 -21.78447 26.85997 
1 1 1    3    3   23 o  435.891   16.478  2387.67  179.363  2466.58  220.233  2232.23  309.102  442.377   19.936  417.421   29.851 24.95599 35.89572 
1 1 1    3    3   24 o  1065.96   38.480 14786.79  1024.31 14609.89  1254.64 15140.37  1773.81  1047.90   47.946  1031.43   69.270 16.47388 84.24457 
1 1 1    3    3   25 o  519.494   19.457  3413.17  252.414  3372.30  309.596  3494.21  435.918  514.627   24.091  517.977   33.888 -3.349915 41.57834 
1 1 1    3    3   26 o  189.659   11.158  452.906   52.612  411.637   65.696  526.706   87.852  180.203   14.728  203.425   17.463 -23.22188 22.84470 
1 1 1    3    3   27 o  570.926   38.773  4364.50  549.511  4364.50  549.511   0.0000   0.0000  570.926   38.773  ?   ?  0.000000 38.77287 
1 1 1    3    3   28 o  154.855   10.799  302.592   41.499  265.500   52.590  363.800   67.557  144.304   14.804  168.845   16.222 -24.54060 21.96156 
1 1 1    3    3   29 o  110.064   10.212  153.375   27.747  161.472   37.297  143.338   41.523  112.384   13.564  105.217   16.333 7.166794 21.23073 
1 1 1    3    3   30 o  217.376   12.121  596.610   65.533  524.936   81.951  723.730  109.140  202.922   16.310  237.821   18.523 -34.89906 24.68085 
1 1 1    3    3   31 o  225.786   15.426  648.119   86.457  505.054  127.621  769.468  117.537  195.516   26.848  244.897   19.378 -49.38072 33.11042 
1 1 1    3    3   32 o  150.643   11.409  287.148   42.600  244.048   55.683  347.975   66.150  137.750   16.517  164.875   16.279 -27.12483 23.19090 
1 1 1    3    3   33 o  184.331   11.310  429.235   51.811  418.656   67.206  444.733   81.344  181.242   14.983  186.105   17.717 -4.863708 23.20341 
1 1 1    3    3   34 o  164.655   17.344  348.913   70.241   0.0000   0.0000  348.913   70.241  ?   ?   164.655   17.344 0.000000 17.34388 
1 1 1    3    3   35 o  108.952   11.626  151.337   31.143  203.936   47.508  111.702   41.240  125.807   15.447   91.856   18.616 33.95035 24.18997 
1 1 1    3    3   36 f  298.069   24.614  1172.77  181.575  1172.77  181.575   0.0000   0.0000  298.069   24.614  ?   ?  0.000000 24.61446 
1 1 1    3    3   37 o  192.414   13.098  472.352   62.560  376.017   81.661  609.216   97.335  169.245   19.690  216.617   18.162 -47.37164 26.78677 
1 1 1    3    3   38 o  149.327   11.933  284.987   44.128  293.296   63.105  277.036   61.731  149.703   17.192  145.385   17.346 4.317932 24.42231 
1 1 1    3    3   39 o  131.081   12.740  221.625   41.175  208.515   61.996  231.972   55.078  123.946   20.765  132.527   17.037 -8.581245 26.85946 
1 1 1    3    3   40 o   56.941   17.611   43.002   27.591 -82.8817   79.329   60.326   29.429   49.087   23.394   66.497   17.489 -17.41035 29.20830 
1 1 1    3    3   41 o   61.145   16.899   51.067   26.663   23.323   51.540   61.205   31.156   56.076   23.007   66.597   18.211 -10.52082 29.34239 
1 1 1    3    3   42 o   74.286   16.394   75.780   29.597   68.611   57.027   78.423   34.625   71.033   25.397   74.855   18.604 -3.821983 31.48213 
1 1 1    3    3   43 o   49.514   16.846   31.417   24.915   82.025   58.956   20.414   27.491   75.115   25.904   45.023   17.334 30.09231 31.16865 
1 1 1    3    3   44 o   65.164   28.316   29.201   85.781   29.201   85.781   0.0000   0.0000   65.164   28.316  ?   ?  0.000000 28.31642 
1 1 1    3    3   45 o  136.016   14.759  250.956   49.327  260.951   81.474  245.173   61.976  128.552   26.267  130.676   19.596 -2.123505 32.77160 
1 1 1    3    4    0 o  1103.90   48.383 15755.52  1333.74 15531.93  1885.83 15979.29  1886.57  1073.52   70.743  1090.12   69.666 -16.60474 99.28699 
1 1 1    3    4    1 o  352.549   17.317  1558.80  152.454  1504.41  215.489  1613.30  215.717  344.595   25.217  357.082   24.337 -12.48721 35.04527 
1 1 1    3    4    2 o  296.414   12.531  1099.58   92.757  1110.62  113.609  1077.49  160.647  297.334   15.353  291.873   22.208 5.460938 26.99811 
1 1 1    3    4    3 o  209.292   7.8693  547.431   41.128  545.557   58.145  549.308   58.183  208.534   11.207  209.255   11.175 -0.7207489 15.82620 
1 1 1    3    4    4 o  646.277   19.846  5246.59  320.289  5218.16  452.933  5275.02  452.982  642.550   28.228  646.084   28.076 -3.533142 39.81319 
1 1 1    3    4    5 o  480.272   15.553  2891.32  186.532  2890.68  263.793  2891.95  263.798  479.277   22.041  479.383   22.036 -0.1059570 31.16719 
1 1 1    3    4    6 o  774.030   23.818  7554.60  460.384  7643.30  651.186  7465.96  650.978  774.787   33.657  765.571   34.051 9.215576 47.87744 
1 1 1    3    4    7 o  701.290   21.768  6197.44  381.208  6291.96  539.214  6102.99  539.006  703.440   30.696  692.604   31.164 10.83612 43.74320 
1 1 1    3    4    8 o  805.125   24.631  8206.75  495.213  8386.10  700.535  8027.60  700.140  808.410   34.701  790.465   35.469 17.94519 49.62112 
1 1 1    3    4    9 o  523.074   16.406  3440.98  214.298  3758.68  303.414  3124.75  302.712  545.031   22.293  496.292   24.425 48.73877 33.06913 
1 1 1    3    4   10 o  551.937   20.284  3850.59  279.570  3853.30  342.361  3845.17  484.346  550.429   24.908  543.491   35.889 6.938049 43.68557 
1 1 1    3    4   11 f  706.891   21.866  6328.95  385.983  6146.41  545.572  6511.88  546.154  691.301   31.603  712.136   30.712 -20.83453 44.06786 
1 1 1    3    4   12 o  302.637   10.703  1147.11   80.884  1182.87  114.326  1111.29  114.449  306.870   14.919  296.976   15.486 9.894348 21.50351 
1 1 1    3    4   13 o  521.965   23.524  3443.18  306.616  3136.75  433.213  3750.77  434.029  493.299   35.403  541.024   32.273 -47.72495 47.90490 
1 1 1    3    4   14 o  436.432   16.639  2389.71  181.341  2392.07  222.131  2384.98  313.996  436.122   20.396  432.901   29.217 3.220551 35.63189 
1 1 1    3    4   15 o   96.606   8.8824  117.650   21.188   98.013   26.070  155.864   36.368   87.659   12.244  110.776   13.421 -23.11672 18.16651 
1 1 1    3    4   16 o  617.380   21.799  4789.83  336.083  4467.10  411.334  5437.96  582.914  595.050   27.682  653.326   35.866 -58.27576 45.30642 
1 1 1    3    4   17 o  625.200   22.482  4912.43  351.000  4775.12  429.849  5187.19  608.054  615.303   27.975  637.399   38.380 -22.09619 47.49400 
1 1 1    3    4   18 f  603.939   38.820  4660.48  582.360  4660.48  582.360   0.0000   0.0000  603.939   38.820  ?   ?  0.000000 38.81997 
1 1 1    3    4   19 o  459.002   17.371  2641.14  199.107  2507.46  243.898  2908.23  344.741  446.713   21.864  479.105   28.951 -32.39246 36.27903 
1 1 1    3    4   20 o  653.081   23.284  5366.63  379.737  5023.28  464.901  6054.92  658.231  630.372   29.533  688.144   38.458 -57.77216 48.48973 
1 1 1    3    4   21 o  791.029   28.212  7911.90  557.277  7926.58  682.778  7882.60  964.510  789.255   34.643  777.845   49.919 11.41058 60.76165 
1 1 1    3    4   22 o  545.695   20.243  3746.49  275.846  3652.15  338.058  3934.46  477.170  537.667   25.178  554.169   34.655 -16.50183 42.83604 
1 1 1    3    4   23 o  481.608   22.639  2928.94  272.275  2585.99  385.601  3269.96  384.512  447.907   34.747  505.670   30.594 -57.76300 46.29620 
1 1 1    3    4   24 f  560.607   20.786  3968.98  290.998  3824.19  356.652  4257.34  503.309  548.523   26.037  573.553   35.312 -25.03040 43.87378 
1 1 1    3    4   25 o  571.093   20.885  4128.50  297.852  4230.69  365.377  3926.08  514.256  576.244   25.391  547.337   37.857 28.90698 45.58392 
1 1 1    3    4   26 o  559.937   20.812  3978.28  291.012  3975.44  356.932  3983.92  502.597  557.435   25.641  550.026   36.804 7.409485 44.85579 
1 1 1    3    4   27 o  214.514   11.684  579.625   62.352  521.089   77.461  687.347  105.082  202.683   15.420  232.274   18.264 -29.59100 23.90289 
1 1 1    3    4   28 o  328.267   24.462  1390.88  199.087  1390.88  199.087   0.0000   0.0000  328.267   24.462  ?   ?  0.000000 24.46209 
1 1 1    3    4   29 o  190.749   11.100  458.680   52.643  425.180   66.165  516.466   86.899  182.976   14.602  201.094   17.479 -18.11821 22.77540 
1 1 1    3    4   30 o  182.596   11.511  420.889   52.220  353.969   65.784  534.898   85.864  166.491   16.020  204.735   16.947 -38.24324 23.32061 
1 1 1    3    4   31 o  228.580   12.426  659.908   70.659  577.300   88.312  806.880  117.795  212.730   16.760  251.035   18.930 -38.30447 25.28309 
1 1 1    3    4   32 o  231.099   11.775  673.893   67.730  661.482   85.357  694.990  111.291  228.196   15.064  232.672   19.329 -4.476013 24.50572 
1 1 1    3    4   33 o   64.111   16.145   54.139   25.833 -30.5533   59.888   73.500   28.634   49.656   22.480   74.789   15.825 -25.13313 27.49186 
1 1 1    3    4   34 o  156.601   15.400  313.716   59.446  313.716   59.446   0.0000   0.0000  156.601   15.400  ?   ?  0.000000 15.40036 
1 1 1    3    4   35 o  167.149   12.011  354.096   49.799  310.863   66.136  410.702   75.676  155.269   17.354  178.774   17.162 -23.50507 24.40699 
1 1 1    3    4   36 o  368.336   16.300  1729.17  149.925  1582.34  185.982  2001.67  253.362  349.188   21.432  389.329   26.213 -40.14093 33.85909 
1 1 1    3    4   37 o  204.840   22.166  552.972  111.577  552.972  111.577   0.0000   0.0000  204.840   22.166  ?   ?  0.000000 22.16615 
1 1 1    3    4   38 o   95.056   12.499  116.636   28.949  180.109   49.622   83.885   35.644  116.967   17.528   78.990   18.410 37.97723 25.42032 
1 1 1    3    4   39 o  139.967   13.035  252.208   45.038  189.856   63.739  314.379   63.647  117.731   22.501  154.994   16.708 -37.26306 28.02569 
1 1 1    3    4   40 o   65.544   15.808   57.942   25.574   59.293   49.791   57.458   29.807   68.119   23.788   65.087   17.818 3.032257 29.72095 
1 1 1    3    4   41 o  152.688   14.520  305.317   54.696  343.083  102.920  290.453   64.569  153.147   27.941  147.128   17.946 6.019592 33.20808 
1 1 1    3    4   42 o  105.349   14.282  147.054   36.605  135.776   61.682  153.185   45.479   95.900   25.366  105.954   17.821 -10.05474 31.00045 
1 1 1    3    4   43 o  147.152   12.880  283.296   46.852  323.601   72.669  254.623   61.292  153.127   19.442  136.247   18.493 16.88052 26.83228 
1 1 1    3    4   44 o   63.488   17.458   56.453   28.540   76.693   62.938   51.213   32.022   73.258   26.616   60.697   19.006 12.56172 32.70563 
1 1 1    3    4   45 o   77.163   31.553   85.238   96.533   85.238   96.533   0.0000   0.0000   77.163   31.553  ?   ?  0.000000 31.55342 
1 1 1    3    5    0 o  531.465   34.767  3612.16  458.874  3612.16  458.874   0.0000   0.0000  531.465   34.767  ?   ?  0.000000 34.76706 
1 1 1    3    5    1 o  248.282   13.941  774.502   86.086  767.503  121.677  781.517  121.811  246.351   19.950  248.630   19.783 -2.279694 28.09590 
1 1 1    3    5    2 f  363.089   17.728  1654.26  160.740  1681.54  227.343  1626.98  227.299  364.320   25.143  358.243   25.576 6.077118 35.86502 
1 1 1    3    5    3 f  406.053   19.283  2070.87  195.532  2031.73  276.428  2110.06  276.619  399.989   27.848  407.788   27.322 -7.798431 39.01334 
1 1 1    3    5    4 o  482.052   18.034  2916.84  217.091  2886.89  265.839  2976.79  376.134  478.914   22.228  483.448   31.325 -4.533478 38.41013 
1 1 1    3    5    5 o  835.211   25.579  8807.28  533.485  8905.28  754.565  8709.33  754.360  835.239   36.177  825.796   36.581 9.442810 51.44859 
1 1 1    3    5    6 o  335.307   11.779  1407.36   98.625  1428.47  139.503  1386.27  139.450  337.397   16.557  331.921   16.880 5.476227 23.64479 
1 1 1    3    5    7 o  991.703   43.716 12757.34  1082.62 13179.27  1531.69 12336.11  1530.43  987.439   62.438  952.542   64.724 34.89740 89.93173 
1 1 1    3    5    8 f  373.001   12.520  1743.60  116.621  1746.31  164.937  1740.90  164.917  372.600   17.727  372.019   17.752 0.5805359 25.08717 
1 1 1    3    5    9 o  410.601   15.722  2119.26  161.206  2344.86  279.713  2007.06  197.261  428.579   26.262  398.799   19.808 29.77985 32.89456 
1 1 1    3    5   10 o  236.259   9.4045  698.793   55.485  700.662   78.397  696.916   78.538  235.884   13.364  235.241   13.425 0.6429443 18.94286 
1 1 1    3    5   11 f  561.778   17.612  3977.36  247.070  4108.18  349.493  3846.67  349.327  568.432   24.621  549.706   25.448 18.72662 35.40902 
1 1 1    3    5   12 o  544.784   17.298  3736.06  235.321  3649.72  332.633  3822.56  332.955  536.141   24.845  548.890   24.291 -12.74951 34.74661 
1 1 1    3    5   13 o  409.814   13.526  2105.61  138.419  2045.30  195.600  2166.12  195.910  403.022   19.435  414.849   18.911 -11.82663 27.11746 
1 1 1    3    5   14 o  646.930   28.711  5303.13  463.832  5075.43  655.685  5531.21  656.232  626.341   42.167  654.933   40.320 -28.59186 58.34175 
1 1 1    3    5   15 o  827.892   29.203  8669.10  603.748  8556.70  739.362  8894.05  1045.94  819.727   36.119  826.439   50.929 -6.711914 62.43678 
1 1 1    3    5   16 o  135.410   9.3497  230.304   31.422  195.083   38.590  299.592   54.126  124.225   12.615  154.036   14.232 -29.81104 19.01806 
1 1 1    3    5   17 f  631.835   22.601  5017.61  356.593  4892.51  436.700  5267.93  617.738  622.796   28.079  642.238   38.698 -19.44232 47.81208 
1 1 1    3    5   18 o  373.219   14.650  1743.97  136.542  1789.54  167.448  1653.53  235.880  377.822   17.748  361.380   26.319 16.44217 31.74389 
1 1 1    3    5   19 o  263.809   20.655  879.070  134.983  879.070  134.983   0.0000   0.0000  263.809   20.655  ?   ?  0.000000 20.65483 
1 1 1    3    5   20 o  243.320   11.967  740.694   72.712  635.489   89.343  947.069  125.132  224.637   16.032  274.160   18.384 -49.52338 24.39248 
1 1 1    3    5   21 o  433.837   16.173  2359.42  175.218  2489.68  215.066  2102.28  302.175  445.271   19.342  406.490   29.980 38.78076 35.67793 
1 1 1    3    5   22 o  499.187   18.738  3130.56  233.584  3074.14  286.345  3242.78  403.834  493.857   23.219  504.056   32.252 -10.19925 39.74036 
1 1 1    3    5   23 o  251.503   10.935  791.757   68.680  853.234   84.928  675.568  116.755  260.948   13.033  230.715   20.478 30.23340 24.27357 
1 1 1    3    5   24 o  311.403   13.666  1216.40  106.269  1113.92  130.649  1416.76  182.684  297.019   17.695  334.145   22.017 -37.12595 28.24621 
1 1 1    3    5   25 o  321.651   16.716  1305.90  133.806  1280.51  191.024  1330.36  187.486  316.590   24.349  323.004   23.403 -6.413147 33.77224 
1 1 1    3    5   26 o  172.304   10.989  373.759   47.037  320.759   58.752  468.371   78.499  158.965   14.977  192.068   16.527 -33.10320 22.30394 
1 1 1    3    5   27 o  254.325   12.124  812.458   76.996  778.877   95.249  875.781  130.796  248.086   15.451  261.940   20.151 -13.85394 25.39276 
1 1 1    3    5   28 o  274.032   13.012  944.893   89.040  854.870  109.920  1116.69  151.848  259.397   17.064  295.485   20.710 -36.08859 26.83454 
1 1 1    3    5   29 o  210.011   19.430  565.446  100.743  565.446  100.743   0.0000   0.0000  210.011   19.430  ?   ?  0.000000 19.42990 
1 1 1    3    5   30 o  388.069   16.174  1906.04  156.744  1739.31  192.750  2231.57  269.324  368.438   21.037  414.692   26.141 -46.25354 33.55483 
1 1 1    3    5   31 o  170.947   11.160  368.883   47.381  330.968   60.412  429.481   76.374  161.112   15.195  183.308   16.874 -22.19644 22.70736 
1 1 1    3    5   32 o  150.921   10.791  287.692   40.401  279.999   53.076  298.290   62.299  148.187   14.530  152.521   16.626 -4.334320 22.08029 
1 1 1    3    5   33 o  143.807   16.591  265.674   58.488   0.0000   0.0000  265.674   58.488  ?   ?   143.807   16.591 0.000000 16.59134 
1 1 1    3    5   34 o  443.966   19.361  2518.14  214.648  2975.15  309.255  2093.32  298.164  477.609   26.028  397.383   30.274 80.22571 39.92463 
1 1 1    3    5   35 o  362.456   14.575  1663.37  131.923  1723.40  164.183  1553.99  221.614  367.654   17.883  344.350   25.963 23.30417 31.52573 
1 1 1    3    5   36 o  292.379   14.007  1082.69  102.266  1011.18  128.402  1206.75  169.120  280.554   18.430  304.613   22.390 -24.05988 28.99949 
1 1 1    3    5   37 o  159.485   11.105  322.398   43.952  375.385   62.229  269.655   62.086  171.241   14.695  144.095   17.621 27.14580 22.94456 
1 1 1    3    5   38 o  259.599   23.783  895.814  152.466  895.814  152.466   0.0000   0.0000  259.599   23.783  ?   ?  0.000000 23.78343 
1 1 1    3    5   39 o   94.102   14.352  115.734   32.658   73.028   53.636  140.895   41.169   74.668   24.710  103.357   16.506 -28.68892 29.71626 
1 1 1    3    5   40 o  111.001   13.233  159.886   35.958  139.816   56.740  173.356   46.484  100.125   23.155  114.409   16.768 -14.28429 28.58872 
1 1 1    3    5   41 o  105.718   13.734  146.372   35.402  142.249   59.000  148.692   44.254   99.969   23.949  105.129   17.470 -5.159492 29.64359 
1 1 1    3    5   42 o  111.680   13.947  164.145   38.049  141.122   62.074  178.001   48.156   98.275   25.180  114.854   17.329 -16.57913 30.56706 
1 1 1    3    5   43 o   64.245   17.530   57.044   28.907   96.720   86.195   52.016   30.684   82.502   30.938   61.545   18.482 20.95751 36.03803 
1 1 1    3    5   44 o  156.132   13.182  320.064   50.913  345.828   77.841  300.802   67.307  157.337   20.284  147.822   18.648 9.514771 27.55382 
1 1 1    3    5   45 o   38.482   15.587   10.600   23.288   84.091   65.044  -0.2060   24.941   75.265   27.101   35.362   15.317 39.90350 31.12987 
1 1 1    3    5   46 o   74.579   18.366   80.226   33.977   84.609   74.159   79.061   38.225   74.563   28.527   73.214   20.234 1.348763 34.97407 
1 1 1    3    6    0 f  185.294   12.148  431.728   55.900  423.737   78.959  439.757   79.149  182.864   17.505  186.365   17.201 -3.501602 24.54193 
1 1 1    3    6    1 o  153.535   16.310  299.033   61.577  299.033   61.577   0.0000   0.0000  153.535   16.310  ?   ?  0.000000 16.31031 
1 1 1    3    6    2 o  877.605   38.516  9869.00  844.097  9654.72  1193.35 10083.56  1194.12  854.204   56.259  874.130   54.984 -19.92596 78.66620 
1 1 1    3    6    3 o  942.673   41.406 11430.38  974.705 11439.50  1378.42 11421.25  1378.46  926.794   59.879  926.002   59.933 0.7916260 84.72009 
1 1 1    3    6    4 o  367.092   17.880  1692.16  163.901  1715.15  231.789  1669.17  231.794  367.673   25.401  362.604   25.766 5.069183 36.18180 
1 1 1    3    6    5 o  856.503   37.626  9400.79  804.755  9147.30  1137.69  9654.66  1138.51  831.245   55.121  855.403   53.569 -24.15826 76.86261 
1 1 1    3    6    6 f  437.619   16.591  2404.30  181.307  2394.81  222.030  2423.28  314.101  436.149   20.386  435.989   29.016 0.1603088 35.46095 
1 1 1    3    6    7 o  796.770   35.003  8141.51  696.442  8637.52  985.658  7646.99  984.178  809.257   49.005  758.509   52.278 50.74774 71.65564 
1 1 1    3    6    8 o  408.455   27.999  2133.46  283.864   0.0000   0.0000  2133.46  283.864  ?   ?   408.455   27.999 0.000000 27.99918 
1 1 1    3    6    9 o  444.752   30.098  2543.90  332.311  2543.90  332.311   0.0000   0.0000  444.752   30.098  ?   ?  0.000000 30.09815 
1 1 1    3    6   10 o  426.021   19.200  2291.49  204.261  2680.72  289.418  1905.21  288.322  458.229   25.392  384.213   30.297 74.01605 39.53005 
1 1 1    3    6   11 o  490.426   15.576  3025.01  190.754  3184.56  269.909  2865.80  269.626  501.534   21.551  475.410   22.711 26.12488 31.30887 
1 1 1    3    6   12 o  354.660   11.970  1576.66  106.014  1507.15  149.764  1646.48  150.090  345.577   17.410  361.775   16.614 -16.19775 24.06512 
1 1 1    3    6   13 o  813.348   28.912  8415.76  587.225  8551.03  719.335  8145.53  1016.72  816.161   35.294  782.433   52.338 33.72748 63.12654 
1 1 1    3    6   14 o  205.603   10.174  528.810   52.238  500.928   63.938  584.788   90.595  199.583   12.898  215.189   16.997 -15.60596 21.33693 
1 1 1    3    6   15 o  300.483   12.378  1130.02   92.881  1008.72  113.659  1373.86  161.151  283.211   16.138  330.158   19.635 -46.94724 25.41548 
1 1 1    3    6   16 o  328.579   16.114  1352.86  132.219  1095.50  186.781  1611.36  187.191  293.776   25.719  357.539   21.059 -63.76315 33.24099 
1 1 1    3    6   17 o  425.545   16.017  2268.60  170.210  2120.14  208.401  2566.07  294.988  410.970   20.307  450.564   26.332 -39.59363 33.25298 
1 1 1    3    6   18 o  1104.88   38.897 15536.14  1073.21 15505.35  1314.48 15597.71  1858.64  1098.42   47.922  1083.46   69.056 14.96423 84.05508 
1 1 1    3    6   19 o  1070.16   37.555 14560.47  1003.60 14268.49  1228.96 15144.97  1738.82  1054.23   46.682  1070.46   65.361 -16.23145 80.32019 
1 1 1    3    6   20 o  590.080   21.519  4374.93  317.094  4270.33  388.426  4583.90  549.034  581.995   26.726  599.321   36.864 -17.32605 45.53273 
1 1 1    3    6   21 o  691.705   44.257  6170.30  760.459  6170.30  760.459   0.0000   0.0000  691.705   44.257  ?   ?  0.000000 44.25750 
1 1 1    3    6   22 o  476.255   17.980  2847.50  213.834  2764.58  262.120  3012.47  369.727  468.569   22.401  486.449   30.592 -17.88068 37.91714 
1 1 1    3    6   23 o  222.392   12.278  621.257   67.920  428.115   83.598  996.343  116.499  183.639   18.481  281.223   16.663 -97.58435 24.88381 
1 1 1    3    6   24 o  213.921   11.683  574.919   62.175  489.401   76.814  737.385  105.876  196.783   15.764  241.495   17.679 -44.71155 23.68681 
1 1 1    3    6   25 o  367.059   14.459  1692.12  132.529  1746.01  162.972  1586.92  227.723  372.349   17.527  352.254   26.073 20.09476 31.41685 
1 1 1    3    6   26 o  554.080   25.568  3916.87  353.768  3692.18  501.091  4140.16  499.519  529.917   38.121  562.985   35.716 -33.06787 52.23848 
1 1 1    3    6   27 o  276.305   11.776  958.378   81.256  1011.75  100.604  858.235  137.809  283.187   14.272  259.010   21.501 24.17636 25.80663 
1 1 1    3    6   28 o  226.848   11.482  647.886   64.831  627.371   80.570  685.564  109.190  222.654   14.571  231.735   19.037 -9.081253 23.97342 
1 1 1    3    6   29 o  255.792   12.309  822.888   78.625  779.125   97.424  904.630  133.148  247.830   15.825  265.855   20.207 -18.02512 25.66606 
1 1 1    3    6   30 o   56.021   12.528   41.042   17.087   41.006   26.806   41.067   22.177   56.765   17.326   56.128   15.371 0.6365967 23.16099 
1 1 1    3    6   31 o  325.249   24.598  1370.29  198.306  1370.29  198.306   0.0000   0.0000  325.249   24.598  ?   ?  0.000000 24.59758 
1 1 1    3    6   32 o  271.265   12.440  926.602   84.268  927.136  105.128  925.641  140.942  270.248   15.645  268.199   21.217 2.049133 26.36160 
1 1 1    3    6   33 o  202.556   12.385  518.643   62.344  439.515   79.085  648.541  101.329  185.281   17.293  225.103   18.181 -39.82216 25.09171 
1 1 1    3    6   34 o  268.267   14.628  912.675   97.624  688.111  121.487  1322.00  164.018  230.737   21.326  320.738   20.587 -90.00148 29.64126 
1 1 1    3    6   35 o  256.846   16.251  840.678  103.698  710.957  153.735  948.968  140.463  231.948   27.050  271.210   20.901 -39.26236 34.18404 
1 1 1    3    6   36 o  376.563   16.093  1802.28  151.331  1718.41  187.737  1957.88  255.712  365.078   20.678  385.780   26.708 -20.70218 33.77689 
1 1 1    3    6   37 o  205.737   13.126  537.755   67.083  439.608   86.693  684.219  105.904  184.096   19.138  230.296   18.573 -46.20049 26.66836 
1 1 1    3    6   38 o  152.959   12.607  298.384   47.725  243.217   65.772  359.730   69.358  135.767   19.999  166.742   16.890 -30.97440 26.17697 
1 1 1    3    6   39 o  169.691   10.795  365.671   45.504  482.257   66.104  260.674   62.733  194.020   13.732  140.823   18.270 53.19684 22.85509 
1 1 1    3    6   40 o   72.636   26.913   61.971   64.845   61.971   64.845   0.0000   0.0000   72.636   26.913  ?   ?  0.000000 26.91340 
1 1 1    3    6   41 o  126.159   12.504  205.666   38.875  233.854   61.672  187.081   50.077  131.737   19.321  118.400   17.461 13.33718 26.04227 
1 1 1    3    6   42 o   83.131   15.510   92.807   31.013   64.986   56.822  104.610   37.011   70.746   25.345   87.635   17.525 -16.88884 30.81392 
1 1 1    3    6   43 o  137.653   13.903  248.702   47.135  188.581   71.012  296.049   63.019  113.253   25.699  148.398   17.332 -35.14491 30.99710 
1 1 1    3    6   44 o  139.414   16.354  261.228   55.855  129.830  105.934  311.823   65.735   91.115   34.272  151.569   17.701 -60.45389 38.57363 
1 1 1    3    6   45 o   68.554   17.863   66.150   30.888   23.687   67.197   77.526   34.780   60.011   25.552   73.892   18.802 -13.88130 31.72433 
1 1 1    3    6   46 o   84.313   17.260   99.934   35.116  103.036   72.765   98.993   40.094   80.609   28.702   82.625   19.708 -2.015327 34.81718 
1 1 1    3    7    0 o  102.004   10.516  131.629   26.402  122.596   37.191  140.807   37.488   97.579   15.803  104.919   14.713 -7.340286 21.59164 
1 1 1    3    7    1 o  374.036   18.165  1759.40  169.670  1759.02  239.882  1759.78  240.017  371.737   26.005  371.815   26.014 -0.7763672E-01 36.78300 
1 1 1    3    7    2 o  495.753   32.844  3150.37  404.297  3150.37  404.297   0.0000   0.0000  495.753   32.844  ?   ?  0.000000 32.84358 
1 1 1    3    7    3 o   99.423   10.051  124.934   24.612   94.305   34.530  156.566   35.091   85.194   16.828  111.051   12.894 -25.85754 21.19940 
1 1 1    3    7    4 o  654.201   29.093  5436.92  475.280  5266.68  671.821  5607.48  672.474  636.460   42.515  657.619   41.157 -21.15851 59.17247 
1 1 1    3    7    5 o  437.688   20.481  2413.35  223.850  2511.49  316.696  2315.37  316.448  443.720   28.736  425.572   29.968 18.14786 41.51908 
1 1 1    3    7    6 o  228.548   13.332  657.048   75.760  684.630  107.134  629.459  107.148  232.516   18.607  222.739   19.459 9.776749 26.92349 
1 1 1    3    7    7 o  579.033   21.215  4233.14  306.761  4231.34  375.685  4236.73  531.380  577.286   26.060  571.537   37.438 5.749207 45.61556 
1 1 1    3    7    8 o  629.418   28.255  5054.39  444.110  5141.48  628.169  4967.36  627.963  626.789   40.348  615.523   41.091 11.26544 57.58790 
1 1 1    3    7    9 o  192.564   17.568  471.002   83.550   0.0000   0.0000  471.002   83.550  ?   ?   192.564   17.568 0.000000 17.56826 
1 1 1    3    7   10 o  387.281   26.933  1923.07  258.853   0.0000   0.0000  1923.07  258.853  ?   ?   387.281   26.933 0.000000 26.93314 
1 1 1    3    7   12 o  472.914   31.660  2878.44  371.725  2878.44  371.725   0.0000   0.0000  472.914   31.660  ?   ?  0.000000 31.65960 
1 1 1    3    7   13 o  464.016   17.412  2706.42  201.753  2632.80  247.000  2854.00  349.718  456.829   21.652  472.590   29.786 -15.76181 36.82386 
1 1 1    3    7   14 o  151.577   8.6822  288.198   32.727  240.568   39.987  384.835   56.957  138.145   11.701  174.799   13.145 -36.65424 17.59825 
1 1 1    3    7   15 o  355.624   14.211  1583.98  126.199  1579.72  154.571  1592.50  218.557  354.867   17.443  354.608   24.838 0.2588501 30.35075 
1 1 1    3    7   16 o  394.991   15.028  1954.11  148.229  1786.17  181.414  2291.42  257.105  376.764   19.347  425.986   24.270 -49.22229 31.03769 
1 1 1    3    7   17 f  1100.16   47.815 15562.13  1313.62 14863.51  1856.81 16262.16  1858.67  1055.18   70.879  1107.13   67.552 -51.94995 97.91410 
1 1 1    3    7   18 o  1216.57   40.742 18869.90  1237.75 17702.27  1514.74 21216.16  2147.20  1170.89   51.805  1265.11   68.218 -94.22266 85.65910 
1 1 1    3    7   19 o  746.451   26.602  7020.43  495.872  6890.35  607.311  7280.58  858.893  737.721   32.966  752.163   45.948 -14.44244 56.55057 
1 1 1    3    7   20 o  419.253   16.027  2202.28  167.795  2085.66  205.596  2434.91  290.375  407.589   20.200  438.729   26.630 -31.14014 33.42430 
1 1 1    3    7   21 o  425.663   16.349  2271.11  173.780  2067.80  212.866  2677.38  300.912  405.100   21.115  460.028   26.303 -54.92804 33.73019 
1 1 1    3    7   22 o  1060.00   69.108 15175.57  1819.29 15175.57  1819.29   0.0000   0.0000  1060.00   69.108  ?   ?  0.000000 69.10815 
1 1 1    3    7   23 o  1308.67   46.904 22288.14  1532.83 22093.39  1877.33 22677.64  2654.94  1288.72   58.335  1261.64   84.761 27.07983 102.8951 
1 1 1    3    7   24 o  295.308   13.118  1093.10   96.736  1024.92  118.990  1226.00  166.128  285.112   16.787  311.005   21.523 -25.89310 27.29528 
1 1 1    3    7   25 o  566.273   20.782  4050.29  293.869  4115.51  360.413  3920.93  507.595  569.219   25.355  549.115   37.237 20.10474 45.05013 
1 1 1    3    7   26 o  585.529   21.667  4344.90  316.808  4086.47  388.158  4860.58  548.309  565.306   27.496  610.393   36.133 -45.08771 45.40519 
1 1 1    3    7   27 o  356.203   18.464  1608.55  163.675  1440.37  232.860  1772.77  230.107  333.632   28.214  371.729   24.933 -38.09756 37.65229 
1 1 1    3    7   28 o  437.118   16.965  2414.95  185.184  2396.50  227.524  2451.15  318.736  434.052   20.991  434.166   29.575 -0.1139221 36.26683 
1 1 1    3    7   29 o  145.159   10.182  265.646   36.674  260.928   47.191  272.841   58.276  143.363   13.335  146.058   16.253 -2.694427 21.02339 
1 1 1    3    7   30 o  120.472   10.313  183.485   30.728  176.862   40.547  192.420   47.095  117.624   14.084  122.415   15.773 -4.791000 21.14586 
1 1 1    3    7   31 o  133.656   11.670  226.299   38.560  161.583   49.756  323.612   61.013  111.357   18.545  159.266   15.539 -47.90917 24.19434 
1 1 1    3    7   33 o   79.471   18.459   83.483   35.931   83.483   35.931   0.0000   0.0000   79.471   18.459  ?   ?  0.000000 18.45888 
1 1 1    3    7   34 o  193.174   10.408  470.197   50.023  532.219   65.404  382.779   77.648  205.089   12.835  172.507   18.305 32.58206 22.35625 
1 1 1    3    7   35 o  328.979   13.254  1365.92  108.883  1459.90  136.102  1198.84  181.477  339.258   16.065  303.616   24.135 35.64206 28.99273 
1 1 1    3    7   36 o  310.591   12.416  1216.78   96.299  1352.09  121.648  989.655  157.607  326.675   14.912  275.839   23.093 50.83633 27.48931 
1 1 1    3    7   37 o  201.045   15.514  516.571   77.285  373.209  119.961  618.300  101.052  165.273   30.178  218.984   18.657 -53.71065 35.47959 
1 1 1    3    7   38 o  220.255   12.125  615.248   66.435  620.528   86.853  607.803  103.137  219.984   15.918  216.387   19.289 3.597122 25.00898 
1 1 1    3    7   39 o   95.354   13.075  117.583   30.314  134.771   51.815  108.639   37.379   99.790   21.433   90.516   17.165 9.273674 27.45901 
1 1 1    3    7   40 o  248.913   12.155  788.043   75.555  853.834   98.925  695.936  117.048  257.217   15.473  229.199   20.673 28.01749 25.82217 
1 1 1    3    7   41 o   52.256   23.357 -15.9542   62.369 -15.9542   62.369   0.0000   0.0000   52.256   23.357  ?   ?  0.000000 23.35662 
1 1 1    3    7   42 o   70.341   16.149   67.052   27.768   37.350   55.210   77.109   32.127   61.818   24.343   75.159   17.452 -13.34153 29.95271 
1 1 1    3    7   43 o  271.447   14.880  964.439  100.481  861.024  129.220  1122.60  159.807  251.012   20.803  284.523   22.680 -33.51117 30.77567 
1 1 1    3    7   44 o   64.930   17.126   58.176   28.168   51.145   61.386   60.051   31.702   66.481   25.816   65.770   18.517 0.7118378 31.76999 
1 1 1    3    7   45 o   41.244   15.980   16.075   23.482   3.2043   63.608   18.106   25.266   54.840   24.094   43.041   16.605 11.79931 29.26122 
1 1 1    3    7   46 o  130.989   14.227  229.281   45.789  282.003   80.179  203.764   55.780  137.662   24.207  120.290   19.216 17.37289 30.90710 
1 1 1    3    8    0 o  939.511   42.124 11597.00  988.275 11449.20  1397.32 11744.94  1397.94  906.029   62.135  919.021   61.264 -12.99268 87.25873 
1 1 1    3    8    1 o  572.203   25.901  4163.24  370.103  4284.71  523.512  4041.87  523.296  574.261   36.698  556.998   37.847 17.26343 52.71728 
1 1 1    3    8    2 o  376.394   18.260  1784.27  171.634  1851.12  242.761  1717.46  242.692  380.967   25.667  366.576   26.695 14.39194 37.03305 
1 1 1    3    8    3 o  272.722   21.057  944.491  142.295  944.491  142.295   0.0000   0.0000  272.722   21.057  ?   ?  0.000000 21.05687 
1 1 1    3    8    4 o  905.758   40.266 10661.69  910.748 10728.28  1288.02 10595.11  1287.97  888.152   58.400  882.102   58.807 6.049744 82.87856 
1 1 1    3    8    5 o  473.303   21.912  2831.42  258.985  2928.17  366.333  2734.75  366.186  477.552   30.884  460.975   32.009 16.57669 44.47950 
1 1 1    3    8    6 o  534.622   24.366  3625.15  325.293  3601.16  459.906  3649.17  460.162  527.400   35.121  531.039   34.895 -3.638245 49.50888 
1 1 1    3    8    7 o  604.849   39.772  4789.95  597.369   0.0000   0.0000  4789.95  597.369  ?   ?   604.849   39.772 0.000000 39.77160 
1 1 1    3    8    8 o  337.926   24.292  1458.00  203.624  1458.00  203.624   0.0000   0.0000  337.926   24.292  ?   ?  0.000000 24.29198 
1 1 1    3    8   13 o  695.783   45.015  6326.36  777.938  6326.36  777.938   0.0000   0.0000  695.783   45.015  ?   ?  0.000000 45.01463 
1 1 1    3    8   14 o  133.893   10.951  225.798   36.296  234.275   51.215  217.243   51.448  135.842   15.368  130.635   16.112 5.206787 22.26612 
1 1 1    3    8   15 o  380.325   14.846  1812.09  140.999  1784.32  172.659  1867.67  244.295  377.070   18.337  384.023   25.622 -6.952454 31.50714 
1 1 1    3    8   16 o  437.817   16.365  2402.18  178.919  2237.42  218.984  2733.03  310.310  422.061   20.777  464.800   26.849 -42.73892 33.94962 
1 1 1    3    8   17 o  868.203   30.676  9526.92  665.084  9274.06  814.341 10033.44  1152.57  853.765   38.196  879.239   52.738 -25.47339 65.11691 
1 1 1    3    8   18 o  856.255   30.068  9259.65  642.922  9629.98  787.891  8521.65  1112.23  870.976   36.225  808.814   55.401 62.16150 66.19346 
1 1 1    3    8   19 o  735.546   31.858  6843.47  585.174  6162.83  826.741  7526.81  828.384  690.758   48.231  766.007   43.485 -75.24933 64.94003 
1 1 1    3    8   20 o  620.286   22.457  4836.49  347.859  4681.11  426.030  5147.27  602.532  609.106   28.009  634.809   38.187 -25.70306 47.35737 
1 1 1    3    8   21 o  462.234   17.437  2679.45  201.269  2488.20  246.520  3061.79  348.559  444.831   22.193  491.522   28.520 -46.69147 36.13741 
1 1 1    3    8   22 o  450.790   17.226  2549.43  193.913  2370.77  237.586  2905.94  335.609  433.509   22.019  478.566   28.208 -45.05728 35.78421 
1 1 1    3    8   23 o  712.482   25.448  6415.31  452.770  6052.30  554.378  7142.51  784.641  689.546   32.195  742.764   42.479 -53.21759 53.30120 
1 1 1    3    8   24 o  468.411   31.437  2810.97  365.589  2810.97  365.589   0.0000   0.0000  468.411   31.437  ?   ?  0.000000 31.43695 
1 1 1    3    8   25 o  783.875   28.137  7830.67  550.779  7479.20  674.498  8534.04  954.165  761.553   35.467  801.921   47.866 -40.36823 59.57420 
1 1 1    3    8   26 o  648.752   23.746  5346.54  384.693  5134.29  471.327  5770.08  665.808  632.621   29.835  662.224   40.456 -29.60291 50.26747 
1 1 1    3    8   27 o  261.017   12.437  855.423   81.063  790.858  100.079  978.586  138.225  249.997   16.117  277.240   20.102 -27.24236 25.76523 
1 1 1    3    8   28 o  390.886   15.489  1926.67  151.189  1926.88  185.896  1926.26  259.842  389.914   19.092  386.084   27.123 3.829834 33.16889 
1 1 1    3    8   29 o  329.227   16.739  1374.05  137.166  1409.88  196.340  1339.89  191.707  330.946   23.919  322.565   23.971 8.381561 33.86309 
1 1 1    3    8   30 o  192.581   11.651  467.797   55.769  397.829   69.780  591.512   92.789  176.710   15.986  215.406   17.398 -38.69614 23.62750 
1 1 1    3    8   31 o  128.965   10.494  210.190   33.504  195.775   43.975  230.134   51.726  123.737   14.507  134.031   15.755 -10.29403 21.41655 
1 1 1    3    8   32 o  431.092   16.762  2354.94  180.443  2372.27  222.290  2321.47  308.972  431.040   20.651  420.637   29.603 10.40265 36.09473 
1 1 1    3    8   33 o  191.309   12.073  462.398   57.380  388.063   72.861  583.783   93.106  174.144   16.970  213.741   17.600 -39.59676 24.44899 
1 1 1    3    8   34 o  364.535   27.048  1736.35  244.467  1736.35  244.467   0.0000   0.0000  364.535   27.048  ?   ?  0.000000 27.04823 
1 1 1    3    8   35 o  291.642   13.179  1073.04   95.980  1068.71  120.210  1080.64  159.413  289.700   16.687  289.159   22.248 0.5411987 27.81033 
1 1 1    3    8   36 o  206.807   11.536  540.183   59.339  551.908   77.262  523.321   92.658  208.246   14.957  201.708   18.605 6.538177 23.87166 
1 1 1    3    8   37 o  272.176   11.827  934.114   80.383  1036.59  102.955  774.114  128.646  285.669   14.479  244.265   21.304 41.40462 25.75856 
1 1 1    3    8   38 o  101.327   14.739  133.033   36.200   97.280   76.367  143.396   41.113   87.178   29.494  104.898   16.218 -17.72027 33.65934 
1 1 1    3    8   39 o  231.219   12.371  679.364   71.169  683.768   92.740  673.054  110.999  230.544   16.212  227.112   19.769 3.432037 25.56624 
1 1 1    3    8   40 o  149.637   12.753  286.871   47.198  240.936   67.015  332.082   66.485  134.262   20.650  159.604   16.940 -25.34181 26.70919 
1 1 1    3    8   41 o  136.934   13.633  242.465   45.998  161.419   66.736  315.813   63.487  107.005   25.362  155.237   16.636 -48.23173 30.33163 
1 1 1    3    8   42 o  139.179   13.238  251.058   45.454  215.090   68.287  279.673   60.908  124.378   22.827  145.254   17.121 -20.87547 28.53411 
1 1 1    3    8   43 o  150.723   29.844  339.555  108.355  339.555  108.355   0.0000   0.0000  150.723   29.844  ?   ?  0.000000 29.84447 
1 1 1    3    8   44 o   69.700   17.136   66.909   29.616   25.435   61.801   79.273   33.743   59.950   24.951   75.631   18.107 -15.68083 30.82861 
1 1 1    3    8   45 o  139.902   13.764  257.777   47.462  253.029   76.208  260.787   60.664  132.070   23.991  138.275   17.995 -6.204605 29.98951 
1 1 1    3    8   46 o   71.219   18.031   71.556   32.099   1.4441   68.184   91.520   36.383   55.728   24.693   80.472   18.493 -24.74410 30.85049 
1 1 1    3    8   47 o  159.854   15.775  347.133   62.152  346.322  117.293  347.449   73.286  140.769   33.795  157.109   19.071 -16.33989 38.80413 
1 1 1    3    9    0 o   88.092   10.596   98.639   22.841  108.211   32.209   88.956   32.396   91.669   14.557   82.638   16.278 9.031425 21.83733 
1 1 1    3    9    1 o  409.099   19.480  2115.24  199.005  2248.53  281.543  1982.14  281.327  418.632   27.077  392.196   28.929 26.43594 39.62358 
1 1 1    3    9    2 o  148.145   11.273  276.692   41.392  271.701   58.363  281.743   58.714  146.027   16.282  148.772   16.059 -2.744949 22.86895 
1 1 1    3    9    3 o  192.939   12.401  468.885   59.430  510.314   83.994  427.352   84.100  200.593   16.926  183.114   18.652 17.47910 25.18721 
1 1 1    3    9    4 o  320.335   23.420  1309.04  186.047  1309.04  186.047   0.0000   0.0000  320.335   23.420  ?   ?  0.000000 23.42002 
1 1 1    3    9    5 o  297.057   15.574  1112.85  115.127  1137.91  162.726  1087.74  162.904  298.945   21.951  292.099   22.507 6.846527 31.43896 
1 1 1    3    9    6 o  451.332   30.578  2626.98  342.599   0.0000   0.0000  2626.98  342.599  ?   ?   451.332   30.578 0.000000 30.57798 
1 1 1    3    9    7 o  370.113   26.017  1754.40  238.927  1754.40  238.927   0.0000   0.0000  370.113   26.017  ?   ?  0.000000 26.01654 
1 1 1    3    9    8 o  273.435   14.794  942.653  100.641  995.560  142.263  889.650  142.393  279.805   20.503  264.106   21.785 15.69949 29.91582 
1 1 1    3    9    9 o  549.942   25.053  3850.06  344.048  3906.33  486.518  3793.77  486.597  547.490   35.782  539.154   36.354 8.336121 51.00945 
1 1 1    3    9   16 o  355.138   13.843  1578.88  122.769  1671.84  150.474  1393.80  212.325  365.243   16.498  331.624   25.843 33.61908 30.66035 
1 1 1    3    9   17 o  805.351   28.512  8183.88  573.399  8121.43  702.247  8308.78  993.214  800.101   35.147  801.491   49.871 -1.390503 61.01230 
1 1 1    3    9   18 f  429.061   16.080  2306.16  172.289  2198.97  210.994  2520.66  298.461  418.574   20.186  446.466   26.896 -27.89142 33.62793 
1 1 1    3    9   19 o  266.987   11.691  891.593   77.946  900.966   95.651  873.064  134.484  267.886   14.351  262.910   20.650 4.975952 25.14678 
1 1 1    3    9   20 o  373.456   18.148  1749.11  169.242  1716.12  239.671  1781.91  239.018  368.128   26.243  375.265   25.660 -7.136627 36.70344 
1 1 1    3    9   21 o  159.657   9.6827  319.868   38.422  312.152   47.577  334.336   65.148  157.477   12.193  162.524   16.271 -5.047073 20.33267 
1 1 1    3    9   22 o  203.085   11.407  517.658   57.616  389.763   70.883  766.688   98.910  175.553   16.357  246.762   16.140 -71.20901 22.97979 
1 1 1    3    9   23 o  367.656   14.625  1694.44  134.277  1442.31  164.527  2197.39  232.372  338.120   19.569  416.987   22.398 -78.86777 29.74249 
1 1 1    3    9   24 o  581.165   21.201  4258.38  307.679  4313.81  377.220  4148.21  531.814  583.550   25.886  566.509   37.810 17.04065 45.82210 
1 1 1    3    9   25 o  286.986   22.067  1047.07  156.934  1047.07  156.934   0.0000   0.0000  286.986   22.067  ?   ?  0.000000 22.06706 
1 1 1    3    9   26 o  494.664   18.404  3086.43  227.334  3159.97  278.971  2941.05  392.227  499.318   22.373  476.450   33.173 22.86725 40.01284 
1 1 1    3    9   27 o  580.005   20.728  4264.13  300.216  4530.71  368.497  3737.91  517.727  595.961   24.761  531.630   39.276 64.33032 46.42945 
1 1 1    3    9   28 o  492.855   18.805  3076.29  231.440  2779.66  283.667  3666.90  400.269  465.622   24.482  531.387   30.290 -65.76489 38.94667 
1 1 1    3    9   29 o  294.141   12.765  1088.15   93.765  1089.28  115.828  1086.00  159.709  293.300   15.873  290.955   22.148 2.345612 27.24856 
1 1 1    3    9   30 o  202.084   13.230  516.309   66.395  511.845   97.870  520.114   90.371  199.655   19.895  201.742   18.132 -2.086990 26.91797 
1 1 1    3    9   31 f  140.195   13.271  249.728   45.909  196.705   72.752  284.813   59.180  121.593   24.800  149.222   16.138 -27.62875 29.58895 
1 1 1    3    9   32 o  408.334   20.003  2125.40  203.970  2125.40  203.970   0.0000   0.0000  408.334   20.003  ?   ?  0.000000 20.00327 
1 1 1    3    9   33 o  236.869   12.794  708.719   75.398  614.636   94.145  877.000  125.909  219.457   17.320  261.714   19.404 -42.25757 26.00914 
1 1 1    3    9   34 o  231.299   11.519  672.929   66.536  685.054   84.309  652.907  108.337  232.415   14.601  225.531   19.426 6.884674 24.30106 
1 1 1    3    9   35 o  217.408   21.320  611.138  114.257  611.138  114.257   0.0000   0.0000  217.408   21.320  ?   ?  0.000000 21.31970 
1 1 1    3    9   36 o  287.533   12.184  1041.80   87.486  1128.57  110.603  896.745  142.994  298.612   14.832  263.251   21.952 35.36090 26.49314 
1 1 1    3    9   37 o  344.617   15.067  1505.75  129.667  1446.46  161.436  1613.55  217.671  335.600   19.345  351.332   24.973 -15.73184 31.58927 
1 1 1    3    9   38 o  147.318   11.910  275.685   43.440  262.021   61.385  289.392   61.481  142.139   17.676  149.756   16.726 -7.616821 24.33508 
1 1 1    3    9   39 f  322.050   14.331  1319.52  115.255  1310.30  145.058  1335.31  189.812  318.581   18.311  317.860   24.092 0.7206726 30.26078 
1 1 1    3    9   40 f  139.088   14.540  249.679   49.754  197.873   90.792  271.913   59.481  117.759   30.597  144.452   16.803 -26.69225 34.90728 
1 1 1    3    9   41 o   63.158   15.232   53.320   23.746   72.884   52.608   48.315   26.610   74.258   24.467   60.197   16.971 14.06138 29.77683 
1 1 1    3    9   42 o  135.003   13.338  236.080   44.379  196.383   67.855  265.753   58.665  118.516   23.755  141.837   16.895 -23.32166 29.15035 
1 1 1    3    9   43 o  126.012   13.576  207.131   42.045  174.428   66.463  228.950   54.288  110.324   24.735  131.042   16.990 -20.71804 30.00819 
1 1 1    3    9   44 o   87.747   32.359  111.307   93.521  111.307   93.521   0.0000   0.0000   87.747   32.359  ?   ?  0.000000 32.35888 
1 1 1    3    9   45 o  132.619   13.739  231.304   44.839  239.377   74.086  226.638   56.326  128.817   23.911  129.030   17.969 -0.2133179 29.91034 
1 1 1    3    9   46 o   48.926   16.856   30.268   24.959   67.410   66.197   24.113   26.948   71.250   27.025   46.501   17.326 24.74949 32.10209 
1 1 1    3    9   47 o  150.867   14.128  303.501   52.608  333.965   87.239  286.092   65.948  149.917   24.121  142.964   18.939 6.952911 30.66752 
1 1 1    3   10    0 o  174.345   11.952  383.000   51.723  386.145   72.898  379.813   73.399  174.267   16.967  172.768   17.243 1.498642 24.19068 
1 1 1    3   10    1 o  395.350   27.491  2008.41  269.720   0.0000   0.0000  2008.41  269.720  ?   ?   395.350   27.491 0.000000 27.49097 
1 1 1    3   10    2 o  227.589   13.404  652.777   75.841  681.967  107.138  623.457  107.374  231.653   18.679  221.217   19.641 10.43607 27.10541 
1 1 1    3   10    3 o  389.105   18.791  1912.38  182.585  1944.74  258.125  1879.99  258.304  389.256   26.717  382.497   27.221 6.759064 38.14100 
1 1 1    3   10    4 o  189.550   12.282  452.687   57.825  458.319   81.620  447.012   81.935  189.878   17.407  187.443   17.714 2.434601 24.83589 
1 1 1    3   10    5 o   64.129   10.444   52.852   16.149   51.750   22.494   54.024   23.198   62.916   14.599   64.283   14.763 -1.366856 20.76232 
1 1 1    3   10    6 o  705.378   46.753  6673.43  818.860  6673.43  818.860   0.0000   0.0000  705.378   46.753  ?   ?  0.000000 46.75259 
1 1 1    3   10    7 o  429.040   20.280  2328.50  217.280  2364.28  307.187  2292.68  307.374  428.598   28.869  421.812   29.364 6.785797 41.17876 
1 1 1    3   10    8 o  528.489   24.185  3550.73  319.182  3577.73  451.290  3523.71  451.492  524.583   34.645  520.414   34.944 4.168335 49.20774 
1 1 1    3   10    9 o  207.304   12.525  541.029   64.532  511.862   91.033  570.490   91.494  200.653   18.372  212.101   17.428 -11.44862 25.32332 
1 1 1    3   10   10 o  177.095   9.5373  393.703   42.022  372.563   72.483  404.405   51.574  171.206   17.186  179.269   11.582 -8.062225 20.72445 
1 1 1    3   10   17 o  408.912   27.804  2118.19  282.230  2118.19  282.230   0.0000   0.0000  408.912   27.804  ?   ?  0.000000 27.80417 
1 1 1    3   10   18 o  506.953   18.759  3223.39  237.479  3303.89  290.986  3062.84  410.945  512.705   22.728  490.596   33.749 22.10855 40.68818 
1 1 1    3   10   19 o  212.468   10.431  564.448   55.342  489.766   67.875  712.570   95.590  197.325   13.862  237.942   16.184 -40.61743 21.30916 
1 1 1    3   10   20 o  190.037   10.569  452.993   49.959  371.907   61.378  612.173   85.998  171.741   14.446  220.502   15.721 -48.76131 21.35013 
1 1 1    3   10   21 o  509.156   18.321  3252.66  232.947  3358.53  285.647  3042.44  402.501  516.800   22.134  488.657   33.181 28.14240 39.88612 
1 1 1    3   10   22 o  583.782   25.920  4301.44  377.868  3817.12  534.004  4787.14  534.768  544.754   39.524  612.171   35.129 -67.41650 52.87885 
1 1 1    3   10   23 o  549.065   20.260  3792.94  277.794  3592.07  340.288  4194.24  480.981  533.134   25.560  572.594   33.788 -39.45972 42.36651 
1 1 1    3   10   24 o  344.832   14.210  1491.19  122.365  1440.06  150.241  1591.95  210.893  337.978   17.865  354.083   23.993 -16.10498 29.91298 
1 1 1    3   10   25 o  582.221   21.380  4281.71  310.845  4284.64  381.067  4275.87  537.380  580.719   26.278  573.805   37.713 6.914124 45.96504 
1 1 1    3   10   26 o  173.491   11.512  378.942   49.593  274.799   61.454  573.407   83.976  146.750   17.090  212.917   15.909 -66.16670 23.34843 
1 1 1    3   10   27 o  398.236   27.913  2043.04  275.834  2043.04  275.834   0.0000   0.0000  398.236   27.913  ?   ?  0.000000 27.91327 
1 1 1    3   10   28 o  471.730   18.249  2815.37  214.967  2605.75  263.600  3231.58  371.433  451.331   23.469  499.099   29.940 -47.76779 38.04239 
1 1 1    3   10   29 o  105.056   10.406  139.802   26.941  122.039   35.388  164.290   41.550   97.271   15.055  113.175   15.077 -15.90372 21.30614 
1 1 1    3   10   30 o  514.992   19.327  3369.97  248.555  3400.22  305.183  3310.37  428.366  515.035   23.729  500.020   34.518 15.01544 41.88716 
1 1 1    3   10   31 o  303.858   11.717  1160.69   88.910  1297.33  110.711  912.502  149.212  320.821   13.819  266.068   22.674 54.75275 26.55301 
1 1 1    3   10   32 o  143.856   13.996  263.392   49.641  148.293   75.166  352.428   66.110  105.020   28.107  166.141   16.138 -61.12126 32.41032 
1 1 1    3   10   33 o  160.215   12.066  324.766   47.919  241.624   61.219  456.292   76.998  136.726   18.397  189.121   16.468 -52.39511 24.69099 
1 1 1    3   10   34 o  216.999   12.045  594.413   65.014  548.608   82.157  671.148  106.337  207.576   15.972  228.918   18.767 -21.34235 24.64360 
1 1 1    3   10   35 o  300.065   13.341  1135.71   99.967  1127.19  124.747  1151.02  167.118  297.589   16.856  298.500   22.587 -0.9113159 28.18312 
1 1 1    3   10   36 o  152.972   22.058  306.371   81.826  306.371   81.826   0.0000   0.0000  152.972   22.058  ?   ?  0.000000 22.05780 
1 1 1    3   10   37 o  348.811   15.668  1543.75  136.477  1422.03  169.686  1766.73  229.670  332.298   20.550  367.810   25.156 -35.51239 32.48261 
1 1 1    3   10   38 o  371.660   15.131  1754.11  140.433  1789.86  175.037  1689.52  235.264  373.276   18.839  357.768   26.522 15.50775 32.53181 
1 1 1    3   10   39 o  327.751   14.327  1365.40  117.257  1368.96  147.390  1359.27  193.530  325.964   18.179  320.940   24.328 5.023804 30.37047 
1 1 1    3   10   40 o  270.614   13.179  931.055   89.059  929.493  114.218  933.477  142.240  268.237   17.141  266.245   21.580 1.992798 27.55896 
1 1 1    3   10   41 f  102.280   15.418  137.229   38.156   63.557   80.089  158.860   43.397   76.752   29.576  109.901   16.308 -33.14908 33.77357 
1 1 1    3   10   42 o  189.919   12.305  462.446   58.042  476.296   80.634  447.554   83.616  190.463   17.137  183.873   18.460 6.590240 25.18787 
1 1 1    3   10   43 o  135.081   13.275  236.944   44.200  204.687   67.650  260.970   58.385  120.827   23.265  140.159   17.031 -19.33147 28.83265 
1 1 1    3   10   44 o  101.821   16.265  139.083   39.965   6.0637   65.818  216.767   50.299   57.252   24.841  127.631   16.142 -70.37883 29.62525 
1 1 1    3   10   45 o   54.348   17.396   39.091   26.699  -3.1272   65.047   47.646   29.280   54.728   24.191   59.245   18.112 -4.517406 30.22006 
1 1 1    3   10   46 o  132.932   24.985  259.930   79.895  259.930   79.895   0.0000   0.0000  132.932   24.985  ?   ?  0.000000 24.98515 
1 1 1    3   10   47 o   62.761   18.134   55.356   30.019   8.6993   71.145   65.461   33.111   57.909   25.461   67.861   18.860 -9.951435 31.68509 
1 1 1    3   11    0 o  371.966   18.058  1742.15  167.735  1688.84  236.910  1795.74  237.516  363.641   26.266  375.263   25.497 -11.62238 36.60593 
1 1 1    3   11    1 o  164.942   11.837  342.768   48.430  390.988   68.337  294.111   68.646  175.655   15.746  151.654   18.510 24.00078 24.30198 
1 1 1    3   11    2 o  366.478   25.873  1718.16  235.257   0.0000   0.0000  1718.16  235.257  ?   ?   366.478   25.873 0.000000 25.87273 
1 1 1    3   11    3 o  492.428   22.753  3075.60  279.791  3101.15  395.576  3050.01  395.793  489.528   32.545  485.295   32.853 4.233032 46.24402 
1 1 1    3   11    4 o  199.267   12.556  500.143   62.158  505.957   87.696  494.273   88.115  199.560   17.784  197.162   18.099 2.397186 25.37394 
1 1 1    3   11    5 o  227.571   19.117  658.370  107.634   0.0000   0.0000  658.370  107.634  ?   ?   227.571   19.117 0.000000 19.11715 
1 1 1    3   11    6 o  177.739   17.058  401.497   74.780  401.497   74.780   0.0000   0.0000  177.739   17.058  ?   ?  0.000000 17.05762 
1 1 1    3   11    7 o  167.765   16.687  357.733   68.983  357.733   68.983   0.0000   0.0000  167.765   16.687  ?   ?  0.000000 16.68744 
1 1 1    3   11    8 o  285.737   15.098  1028.81  107.351  1169.32  151.851  888.416  151.783  303.641   20.141  263.749   23.284 39.89151 30.78661 
1 1 1    3   11    9 o  377.294   14.785  1787.70  139.303  1888.48  241.152  1737.24  170.656  384.882   25.230  371.342   18.403 13.53986 31.22908 
1 1 1    3   11   10 o  256.571   11.528  824.558   73.861  870.396  127.722  801.525   90.536  262.096   19.657  252.329   14.428 9.766983 24.38411 
1 1 1    3   11   11 o  252.846   10.333  800.069   65.244  573.618  112.475  914.909   80.097  212.231   21.520  270.286   11.867 -58.05533 24.57509 
1 1 1    3   11   18 o  374.167   17.942  1755.33  167.645  1755.33  167.645   0.0000   0.0000  374.167   17.942  ?   ?  0.000000 17.94216 
1 1 1    3   11   19 o  964.897   29.135 11754.94  702.018 12531.32  993.673 10981.29  991.934  991.332   40.140  926.644   42.867 64.68750 58.72597 
1 1 1    3   11   20 f  537.759   19.327  3629.33  259.536  3807.43  318.176  3275.22  448.658  550.181   23.159  506.542   35.697 43.63870 42.55144 
1 1 1    3   11   21 o  970.670   34.298 11969.42  831.376 11850.45  1018.22 12207.35  1439.98  961.487   42.408  961.642   60.269 -0.1548462 73.69379 
1 1 1    3   11   22 o  212.545   10.979  566.677   58.073  503.446   71.484  689.404   99.589  199.945   14.413  233.788   17.179 -33.84293 22.42451 
1 1 1    3   11   23 o  636.794   27.304  5134.64  434.188  4232.64  612.975  6042.91  615.099  570.697   43.335  686.429   36.009 -115.7318 56.34384 
1 1 1    3   11   24 o  542.272   20.144  3704.30  272.774  3589.55  334.264  3933.02  471.938  532.500   25.137  553.152   34.335 -20.65247 42.55344 
1 1 1    3   11   25 o  170.915   8.9200  366.470   37.939  414.604   47.658  283.188   62.688  181.661   10.551  149.080   17.152 32.58154 20.13705 
1 1 1    3   11   26 o  327.871   14.153  1350.26  115.881  1197.09  142.320  1651.56  199.607  307.502   18.622  360.371   22.290 -52.86908 29.04514 
1 1 1    3   11   27 o  422.597   16.639  2251.31  175.589  2147.37  215.441  2456.96  303.036  411.035   21.060  436.895   27.922 -25.85941 34.97359 
1 1 1    3   11   28 o  112.569   18.079  164.132   49.101  164.132   49.101   0.0000   0.0000  112.569   18.079  ?   ?  0.000000 18.07906 
1 1 1    3   11   29 o  162.694   10.374  333.382   41.927  315.505   52.848  363.746   68.874  157.760   13.546  168.892   16.543 -11.13159 21.38111 
1 1 1    3   11   30 f  361.512   25.835  1690.62  231.695   0.0000   0.0000  1690.62  231.695  ?   ?   361.512   25.835 0.000000 25.83534 
1 1 1    3   11   31 o  175.185   13.228  388.638   57.442  388.638   57.442   0.0000   0.0000  175.185   13.228  ?   ?  0.000000 13.22796 
1 1 1    3   11   32 o  144.638   9.2758  263.422   33.326  311.392   44.237  200.469   50.678  157.001   11.360  124.766   16.683 32.23505 20.18372 
1 1 1    3   11   33 o  384.819   18.857  1883.68  181.209  1896.71  258.614  1871.11  253.986  381.446   27.331  379.039   27.010 2.406769 38.42560 
1 1 1    3   11   34 o  269.412   13.278  914.949   89.331  830.740  111.197  1068.21  150.013  255.240   17.553  288.358   20.976 -33.11807 27.35157 
1 1 1    3   11   35 o  409.821   15.823  2126.81  161.929  2198.75  200.159  1990.55  275.480  415.279   19.301  389.501   28.521 25.77844 34.43792 
1 1 1    3   11   36 o   85.840   13.111   95.013   27.213   66.321   43.206  113.880   35.036   71.706   22.015   93.639   15.527 -21.93284 26.94021 
1 1 1    3   11   37 o  174.834   12.482  387.383   54.138  316.470   71.174  484.740   83.396  156.452   18.581  194.430   17.359 -37.97856 25.42789 
1 1 1    3   11   38 o  191.203   22.946  479.689  107.373  479.689  107.373   0.0000   0.0000  191.203   22.946  ?   ?  0.000000 22.94620 
1 1 1    3   11   39 o  295.794   13.770  1109.87  101.710  1089.65  128.660  1143.56  166.080  291.068   17.786  295.555   22.675 -4.486877 28.81878 
1 1 1    3   11   40 o  104.569   13.653  141.292   34.802   91.576   55.669  173.188   44.590   82.462   24.923  115.317   15.908 -32.85558 29.56723 
1 1 1    3   11   41 o  284.218   12.569  1027.78   89.206  1127.09  115.646  881.887  140.176  295.703   15.718  257.591   22.003 38.11182 27.04006 
1 1 1    3   11   42 o  127.356   13.018  209.442   40.820  187.364   63.817  224.729   53.104  116.592   22.736  130.651   16.656 -14.05885 28.18359 
1 1 1    3   11   43 o   99.362   15.366  130.796   36.896  102.774   79.552  138.477   41.646   85.965   30.065  101.679   17.002 -15.71397 34.53959 
1 1 1    3   11   44 o  148.555   12.675  285.922   46.569  320.985   72.846  261.688   60.560  153.926   19.381  139.680   17.764 14.24557 26.29036 
1 1 1    3   11   45 o   55.814   17.107   41.771   26.101 -23.8774   61.730   56.063   28.802   49.673   22.619   63.873   17.527 -14.19997 28.61496 
1 1 1    3   11   46 o   34.097   14.270   4.1289   20.375   29.331   62.405   1.1218   21.556   60.680   25.148   33.735   14.421 26.94506 28.98958 
1 1 1    3   11   47 o   63.025   29.530 -46.4957  116.801 -46.4957  116.801   0.0000   0.0000   63.025   29.530  ?   ?  0.000000 29.53034 
1 1 1    3   11   48 o  149.319   18.829  312.540   68.647   0.0000   0.0000  312.540   68.647  ?   ?   149.319   18.829 0.000000 18.82881 
1 1 1    3   12    0 o  386.092   18.656  1874.32  179.870  1940.86  254.225  1807.63  254.525  390.721   26.207  376.741   27.238 13.97949 37.79856 
1 1 1    3   12    1 o  251.051   14.155  792.906   88.376  874.931  124.882  710.618  125.082  262.971   19.149  236.432   21.418 26.53903 28.72971 
1 1 1    3   12    2 o  196.426   12.598  485.513   61.469  550.716   86.807  419.941   87.053  208.661   16.802  181.565   19.506 27.09674 25.74449 
1 1 1    3   12    3 o  246.241   19.924  769.384  121.467   0.0000   0.0000  769.384  121.467  ?   ?   246.241   19.924 0.000000 19.92435 
1 1 1    3   12    4 o   99.147   15.427  126.364   36.954   0.0000   0.0000  126.364   36.954  ?   ?    99.147   15.427 0.000000 15.42733 
1 1 1    3   12    5 o  234.484   19.322  697.720  112.132  697.720  112.132   0.0000   0.0000  234.484   19.322  ?   ?  0.000000 19.32199 
1 1 1    3   12    6 o  413.766   19.648  2158.87  203.018  2154.73  286.928  2163.02  287.294  410.338   28.172  411.138   28.152 -0.7998352 39.82722 
1 1 1    3   12    7 o  189.408   12.145  451.409   57.139  433.669   80.560  469.368   81.058  184.826   17.670  192.454   17.042 -7.627640 24.54912 
1 1 1    3   12    8 o  606.182   27.221  4669.00  412.053  4624.35  582.382  4713.77  583.080  596.542   39.315  602.515   38.962 -5.973206 55.35076 
1 1 1    3   12    9 o  451.763   16.963  2564.53  191.367  2392.35  330.906  2651.05  234.572  432.146   30.867  458.654   20.480 -26.50806 37.04325 
1 1 1    3   12   10 o  136.856   8.1137  234.992   27.605  170.095   47.192  268.748   34.036  115.178   16.911  146.282   9.3666 -31.10343 19.33204 
1 1 1    3   12   11 o  427.195   16.378  2289.88  174.718  2372.68  302.548  2248.45  214.010  431.889   28.207  422.760   20.272 9.128876 34.73609 
1 1 1    3   12   12 o  306.215   12.614  1173.90   96.457  1174.77  166.990  1173.47  118.163  304.710   22.096  305.558   15.537 -0.8480225 27.01185 
1 1 1    3   12   13 o  161.411   16.471  330.027   65.460   0.0000   0.0000  330.027   65.460  ?   ?   161.411   16.471 0.000000 16.47111 
1 1 1    3   12   20 o  172.770   10.996  374.842   47.193  484.804   67.150  267.522   66.338  196.305   13.786  144.822   18.786 51.48340 23.30144 
1 1 1    3   12   21 o  902.990   27.502 10298.38  620.155 10378.54  877.181 10218.28  876.882  901.329   38.972  894.188   39.270 7.141052 55.32606 
1 1 1    3   12   22 o  590.798   18.627  4383.80  274.816  4209.33  388.618  4558.33  388.680  577.072   26.968  600.801   25.907 -23.72931 37.39525 
1 1 1    3   12   23 o  314.434   13.358  1238.76  104.884  1135.98  128.664  1442.34  181.079  300.276   17.231  337.678   21.587 -37.40198 27.62066 
1 1 1    3   12   24 f  404.439   15.251  2053.00  154.031  2166.35  189.117  1829.64  265.481  414.989   18.249  378.412   28.299 36.57697 33.67302 
1 1 1    3   12   25 o  670.485   29.904  5743.87  500.687  5869.21  708.682  5618.96  707.475  668.772   42.657  653.606   43.596 15.16632 60.99361 
1 1 1    3   12   26 o  390.976   15.392  1922.31  150.276  1545.63  184.045  2675.79  260.299  348.848   21.228  459.365   22.692 -110.5170 31.07305 
1 1 1    3   12   27 o  393.422   15.576  1949.01  153.026  1930.65  187.939  1985.14  263.595  390.693   19.263  392.878   27.032 -2.184814 33.19347 
1 1 1    3   12   28 f  456.907   17.511  2638.40  199.797  2634.03  245.268  2647.00  344.469  455.109   21.581  451.093   30.763 4.016785 37.57824 
1 1 1    3   12   29 o   97.107   12.061  120.277   28.618   58.309   37.068  211.714   45.027   67.421   20.329  128.882   14.228 -61.46129 24.81285 
1 1 1    3   12   30 o  357.616   26.145  1655.83  231.866  1655.83  231.866   0.0000   0.0000  357.616   26.145  ?   ?  0.000000 26.14505 
1 1 1    3   12   31 o  269.923   12.529  916.730   84.454  884.156  104.589  977.768  143.169  263.998   15.940  276.143   20.917 -12.14554 26.29803 
1 1 1    3   12   32 o   92.353   12.422  109.213   27.921   54.333   37.590  176.755   41.701   65.547   20.603  117.487   14.523 -51.93980 25.20710 
1 1 1    3   12   33 o  105.309   12.358  141.443   31.881   76.997   42.441  224.907   48.298   76.501   21.385  132.651   14.835 -56.14960 26.02645 
1 1 1    3   12   34 o  200.715   12.886  509.553   64.246  385.139   80.699  724.887  106.168  172.976   18.995  238.237   17.978 -65.26108 26.15386 
1 1 1    3   12   35 o  442.328   21.709  2507.56  239.792  2344.16  341.301  2666.86  336.975  419.735   32.823  449.949   30.165 -30.21317 44.57920 
1 1 1    3   12   36 o  279.493   12.920  984.967   90.174  974.599  113.126  1003.03  149.335  276.718   16.445  278.842   21.615 -2.123962 27.15972 
1 1 1    3   12   37 o  299.001   13.357  1128.86   99.732  1129.76  125.166  1127.31  165.050  297.668   16.908  294.977   22.578 2.691467 28.20754 
1 1 1    3   12   38 o   97.861   13.060  123.065   31.119   91.169   49.370  144.091   40.085   82.665   23.049  105.424   15.705 -22.75878 27.89160 
1 1 1    3   12   39 o  212.197   23.644  593.904  123.157  593.904  123.157   0.0000   0.0000  212.197   23.644  ?   ?  0.000000 23.64381 
1 1 1    3   12   40 o  121.404   12.007  188.335   35.925  221.014   57.462  167.367   46.029  129.834   18.225  113.114   16.806 16.71961 24.79132 
1 1 1    3   12   41 o  190.354   12.203  462.005   57.702  459.215   78.962  465.201   84.528  187.966   17.007  188.684   18.164 -0.7174835 24.88280 
1 1 1    3   12   42 o  168.390   11.742  362.436   49.068  417.367   71.784  314.261   67.224  178.940   16.242  154.438   17.754 24.50203 24.06218 
1 1 1    3   12   43 o   92.185   13.425  111.280   29.997  184.255   58.901   85.725   34.856  115.877   21.134   79.343   18.005 36.53424 27.76341 
1 1 1    3   12   44 o  206.792   13.852  555.203   71.119  685.596  117.094  478.986   89.523  224.423   21.143  188.669   19.272 35.75421 28.60839 
1 1 1    3   12   45 o   66.963   16.688   61.399   27.805   32.101   61.519   68.920   31.170   61.767   25.215   70.718   17.694 -8.951172 30.80414 
1 1 1    3   12   46 o  139.557   13.036  254.618   44.905  329.555   76.052  214.509   55.640  154.421   20.207  125.306   18.323 29.11549 27.27698 
1 1 1    3   12   47 o  135.517   13.689  242.605   45.692  304.312   79.998  212.729   55.665  145.505   22.763  124.074   18.534 21.43161 29.35382 
1 1 1    3   12   48 o  127.330   19.150  227.946   59.006   0.0000   0.0000  227.946   59.006  ?   ?   127.330   19.150 0.000000 19.15018 
1 1 1    3   13    0 o  453.063   21.020  2582.58  237.816  2507.53  335.807  2658.09  336.840  443.576   30.501  457.001   29.677 -13.42444 42.55616 
1 1 1    3   13    1 o  607.036   27.185  4662.48  412.096  4809.56  582.791  4515.40  582.794  611.451   38.362  591.786   39.666 19.66504 55.18222 
1 1 1    3   13    2 f  546.544   24.772  3772.68  338.090  3854.29  478.055  3691.03  478.206  548.243   35.103  536.125   35.927 12.11816 50.22879 
1 1 1    3   13    3 o  629.482   28.128  5024.22  442.146  5035.06  625.123  5013.36  625.455  623.981   40.334  622.567   40.450 1.414185 57.12325 
1 1 1    3   13    4 o   82.533   10.662   86.656   21.461   93.300   29.981   79.675   30.732   85.070   14.641   78.240   16.260 6.830383 21.88064 
1 1 1    3   13    5 o  615.417   39.970  4902.02  610.940   0.0000   0.0000  4902.02  610.940  ?   ?   615.417   39.970 0.000000 39.97027 
1 1 1    3   13    6 o  161.483   9.2473  327.228   37.135  283.319   63.367  350.195   45.829  149.191   17.332  166.900   11.059 -17.70888 20.55924 
1 1 1    3   13    7 o  266.599   11.974  889.997   79.719  1009.33  137.721  829.862   97.763  282.560   19.640  256.750   15.318 25.81000 24.90727 
1 1 1    3   13    8 o  441.346   16.508  2444.93  181.935  2178.66  314.324  2579.08  223.107  412.886   30.705  452.783   19.732 -39.89688 36.49897 
1 1 1    3   13    9 o  245.935   11.191  756.955   68.731  732.677  118.544  769.249   84.357  240.551   19.913  247.405   13.708 -6.854477 24.17523 
1 1 1    3   13   10 o  151.949   10.874  290.347   40.988  260.069   57.321  322.026   58.632  143.073   16.337  159.603   14.883 -16.52994 22.09940 
1 1 1    3   13   11 f  367.535   14.533  1692.51  133.387  1637.05  230.715  1720.35  163.478  359.208   25.894  370.237   17.682 -11.02905 31.35526 
1 1 1    3   13   12 o  561.552   20.540  3963.20  288.026  3892.15  498.670  3998.77  352.832  551.524   36.412  563.162   25.089 -11.63702 44.21896 
1 1 1    3   13   13 o  147.847   9.1346  274.304   33.560  278.668   58.201  272.130   41.077  148.267   15.971  147.064   11.271 1.202576 19.54774 
1 1 1    3   13   14 o  478.269   31.618  2908.29  375.497   0.0000   0.0000  2908.29  375.497  ?   ?   478.269   31.618 0.000000 31.61847 
1 1 1    3   13   15 f  963.495   61.502 12228.79  1472.04   0.0000   0.0000 12228.79  1472.04  ?   ?   963.495   61.502 0.000000 61.50216 
1 1 1    3   13   21 o  522.557   23.609  3439.69  308.082  3634.99  435.955  3244.86  435.432  534.044   32.849  503.821   34.823 30.22308 47.87186 
1 1 1    3   13   22 o  266.709   10.311  889.848   68.674  1154.01  119.980  761.138   83.749  302.920   15.917  246.114   13.681 56.80663 20.98831 
1 1 1    3   13   23 o  265.659   9.8759  882.931   65.516  919.644   93.001  846.760   92.311  270.521   13.813  259.490   14.301 11.03152 19.88243 
1 1 1    3   13   24 o  346.121   12.109  1500.91  104.663  1334.59  148.143  1666.66  147.890  325.165   18.319  364.235   16.259 -39.06970 24.49385 
1 1 1    3   13   25 o  583.326   21.191  4299.76  308.684  4499.39  378.423  3902.78  533.633  595.145   25.463  546.602   39.358 48.54260 46.87677 
1 1 1    3   13   26 o  618.268   27.500  4884.83  424.579  4289.74  599.927  5481.97  600.965  569.072   42.524  647.829   37.306 -78.75684 56.56845 
1 1 1    3   13   27 o  258.254   12.007  837.030   77.436  806.326   95.467  896.083  132.396  252.638   15.203  265.252   20.138 -12.61392 25.23254 
1 1 1    3   13   28 o  325.511   13.077  1332.08  106.298  1393.30  130.963  1213.87  181.977  332.390   15.778  307.427   23.892 24.96359 28.63149 
1 1 1    3   13   29 o  214.793   18.594  589.002   98.753   0.0000   0.0000  589.002   98.753  ?   ?   214.793   18.594 0.000000 18.59449 
1 1 1    3   13   30 o  104.335   13.475  139.293   34.288  139.293   34.288   0.0000   0.0000  104.335   13.475  ?   ?  0.000000 13.47510 
1 1 1    3   13   31 o   92.338   21.582  113.122   48.873  113.122   48.873   0.0000   0.0000   92.338   21.582  ?   ?  0.000000 21.58242 
1 1 1    3   13   32 o  234.202   11.786  691.422   68.712  669.137   85.762  731.370  114.825  229.702   15.034  238.995   19.407 -9.293198 24.54940 
1 1 1    3   13   33 o   59.619   12.500   46.400   18.016   42.186   29.444   48.921   22.777   57.932   18.239   61.039   15.040 -3.106693 23.64020 
1 1 1    3   13   34 o  278.736   13.544  979.660   94.273  880.925  116.944  1162.91  159.320  262.776   17.928  300.816   21.347 -38.04053 27.87734 
1 1 1    3   13   35 o  531.873   20.411  3614.31  271.095  3533.37  333.150  3772.96  466.409  522.540   25.531  530.507   35.410 -7.966614 43.65449 
1 1 1    3   13   36 o  229.973   13.002  668.957   74.360  794.723  111.814  569.226   99.570  249.292   18.084  210.452   19.156 38.83934 26.34379 
1 1 1    3   13   37 o  413.958   15.628  2172.29  161.554  2294.83  200.335  1944.40  273.197  423.990   18.921  383.946   28.702 40.04382 34.37728 
1 1 1    3   13   38 o  109.334   12.033  152.513   32.310  148.818   49.875  155.185   42.414  106.227   19.521  109.433   15.993 -3.205193 25.23567 
1 1 1    3   13   39 o  256.958   13.607  838.774   87.000  762.416  110.406  963.859  141.309  243.254   18.310  272.419   20.932 -29.16469 27.81010 
1 1 1    3   13   40 o  280.680   13.831  1001.40   96.944  945.516  122.797  1093.85  157.941  270.391   18.294  288.698   22.075 -18.30679 28.67022 
1 1 1    3   13   41 o  142.043   28.540  282.470   97.722  282.470   97.722   0.0000   0.0000  142.043   28.540  ?   ?  0.000000 28.54039 
1 1 1    3   13   42 o  200.919   12.210  515.865   60.973  522.043   82.305  508.350   90.772  200.199   16.613  196.452   18.730 3.747543 25.03623 
1 1 1    3   13   43 f  140.721   12.273  254.909   42.698  285.541   66.418  233.333   55.743  146.304   18.600  132.678   17.231 13.62697 25.35489 
1 1 1    3   13   44 f  199.790   13.018  515.642   64.594  494.073   88.671  540.030   94.287  192.187   18.713  200.764   19.034 -8.577179 26.69266 
1 1 1    3   13   45 o  117.827   13.160  181.342   38.061  228.413   67.182  159.093   46.188  127.977   21.803  108.389   17.674 19.58815 28.06679 
1 1 1    3   13   46 o  159.026   14.309  332.465   56.215  364.635  100.535  317.832   67.805  157.801   26.449  153.234   18.067 4.567032 32.03026 
1 1 1    3   13   47 o   49.464   16.568   31.525   24.095  121.702   66.874   18.072   25.830   89.161   27.392   43.329   16.768 45.83196 32.11679 
1 1 1    3   14    0 o  380.795   18.445  1820.43  175.394  1849.13  247.765  1791.60  248.326  381.876   26.139  375.750   26.638 6.126038 37.32024 
1 1 1    3   14    1 o  970.642   62.693 12561.39  1511.47 12561.39  1511.47   0.0000   0.0000  970.642   62.693  ?   ?  0.000000 62.69266 
1 1 1    3   14    2 o  318.415   16.373  1274.90  129.747  1351.87  183.295  1197.60  183.685  326.897   22.592  307.294   24.131 19.60297 33.05629 
1 1 1    3   14    3 o  253.642   20.255  813.923  127.226   0.0000   0.0000  813.923  127.226  ?   ?   253.642   20.255 0.000000 20.25542 
1 1 1    3   14    4 o  182.499   17.250  421.656   77.684  421.656   77.684   0.0000   0.0000  182.499   17.250  ?   ?  0.000000 17.25043 
1 1 1    3   14    5 o  655.971   23.092  5422.44  378.273  4826.93  653.706  5722.22  463.815  610.589   43.151  672.533   27.617 -61.94397 51.23181 
1 1 1    3   14    6 o  818.441   52.577  8795.61  1068.87   0.0000   0.0000  8795.61  1068.87  ?   ?   818.441   52.577 0.000000 52.57659 
1 1 1    3   14    7 o  269.556   11.986  909.476   80.678  926.837  139.105  900.676   99.037  270.677   20.738  267.662   14.876 3.015289 25.52122 
1 1 1    3   14    8 o  192.820   9.8817  466.201   47.421  421.936   81.303  489.024   58.380  182.446   18.083  197.312   11.904 -14.86562 21.64987 
1 1 1    3   14    9 o  322.349   12.785  1300.89  102.912  1120.89  177.466  1392.08  126.321  297.253   24.116  333.274   15.178 -36.02130 28.49463 
1 1 1    3   14   10 o  372.457   14.583  1737.96  135.632  1614.57  234.367  1800.09  166.311  356.662   26.503  378.767   17.583 -22.10550 31.80575 
1 1 1    3   14   11 o  298.036   15.602  1116.21  115.713  1297.53  163.607  934.730  163.678  320.688   20.538  271.308   24.421 49.38058 31.90877 
1 1 1    3   14   12 o  854.168   30.275  9233.04  645.771  9112.41  1118.22  9293.40  791.007  835.045   53.913  854.106   37.087 -19.06085 65.43715 
1 1 1    3   14   13 o  597.856   21.490  4492.19  320.836  4136.37  555.154  4670.63  393.138  568.066   39.378  608.724   25.863 -40.65759 47.11158 
1 1 1    3   14   14 o  819.841   28.791  8489.01  589.437  7714.45  1019.78  8877.61  722.320  769.290   53.415  836.287   34.588 -66.99670 63.63577 
1 1 1    3   14   15 f  212.056   10.323  562.280   54.665  659.089   94.712  513.922   66.940  228.716   16.698  202.198   13.332 26.51836 21.36769 
1 1 1    3   14   16 o  340.856   24.241  1469.38  204.993  1469.38  204.993   0.0000   0.0000  340.856   24.241  ?   ?  0.000000 24.24144 
1 1 1    3   14   23 o  513.420   33.887  3385.64  432.022  3385.64  432.022   0.0000   0.0000  513.420   33.887  ?   ?  0.000000 33.88691 
1 1 1    3   14   24 o  188.686   8.2488  445.266   38.867  455.135   55.307  435.637   54.631  190.250   11.698  186.101   11.817 4.149460 16.62776 
1 1 1    3   14   25 o  240.490   9.3646  723.897   56.239  693.428   79.920  753.785   79.154  234.653   13.698  244.787   12.995 -10.13370 18.88194 
1 1 1    3   14   26 o  418.945   13.807  2204.91  144.447  2315.18  204.775  2095.70  203.787  428.089   19.155  407.065   20.048 21.02344 27.72788 
1 1 1    3   14   27 o  282.741   10.125  1001.91   71.486  1106.74  101.957  900.545  100.258  296.694   13.761  267.031   15.097 29.66348 20.42769 
1 1 1    3   14   28 o  478.173   22.231  2912.82  265.461  2958.69  376.078  2867.28  374.763  476.064   31.818  468.352   32.239 7.711853 45.29623 
1 1 1    3   14   29 o  237.946   9.7487  709.935   57.926  698.753   83.154  720.477   80.739  235.084   14.232  238.852   13.593 -3.768280 19.68007 
1 1 1    3   14   30 o  271.352   9.4837  923.282   64.263  1078.28   92.554  779.000   89.297  292.761   12.660  248.141   14.474 44.61925 19.22904 
1 1 1    3   14   31 o  113.693   9.4642  163.216   26.626  177.301   35.595  145.323   40.119  118.106   12.247  106.159   15.599 11.94782 19.83216 
1 1 1    3   14   32 o  198.733   10.843  497.546   53.608  493.113   67.468  505.137   88.290  197.305   13.780  198.726   17.986 -1.420776 22.65806 
1 1 1    3   14   33 o  121.662   21.490  194.487   62.902  194.487   62.902   0.0000   0.0000  121.662   21.490  ?   ?  0.000000 21.49025 
1 1 1    3   14   34 o  123.652   10.275  193.293   31.441  204.048   43.238  181.226   45.801  126.438   13.925  118.670   15.852 7.767982 21.09936 
1 1 1    3   14   35 o  239.013   12.327  721.194   73.325  685.592   92.308  782.070  120.707  232.142   16.022  246.864   19.746 -14.72197 25.42802 
1 1 1    3   14   36 o  324.430   12.749  1326.69  103.289  1443.56  129.351  1121.06  171.585  337.707   15.338  294.056   23.565 43.65103 28.11701 
1 1 1    3   14   37 o  419.093   16.341  2229.44  171.021  2277.22  211.513  2139.21  290.647  421.806   20.080  402.564   29.108 19.24265 35.36274 
1 1 1    3   14   38 o  104.660   13.677  140.769   34.890  114.863   64.607  151.435   41.454   92.490   26.569  108.126   15.821 -15.63670 30.92246 
1 1 1    3   14   39 o  297.350   14.961  1125.98  110.737  978.654  138.354  1388.62  184.724  274.890   20.299  326.204   22.821 -51.31454 30.54195 
1 1 1    3   14   40 o  268.326   12.921  912.856   86.576  913.321  110.484  912.117  139.356  266.567   16.681  264.036   21.317 2.531281 27.06833 
1 1 1    3   14   41 o  159.131   13.139  324.230   51.744  238.760   70.446  424.368   76.252  133.337   21.919  180.751   17.097 -47.41406 27.79810 
1 1 1    3   14   42 o  153.606   13.294  303.483   50.491  225.163   70.864  384.238   71.958  128.376   22.947  171.459   17.031 -43.08362 28.57713 
1 1 1    3   14   43 o  101.367   23.609  144.109   58.650  144.109   58.650   0.0000   0.0000  101.367   23.609  ?   ?  0.000000 23.60908 
1 1 1    3   14   44 o  162.556   12.853  341.493   51.750  306.409   73.519  375.948   72.856  150.344   20.084  168.205   17.606 -17.86095 26.70868 
1 1 1    3   14   45 f   95.361   13.853  119.968   32.024  158.534   59.491  104.235   37.999  105.548   23.203   87.230   18.040 18.31877 29.39086 
1 1 1    3   14   46 o  248.221   13.069  799.872   80.725  860.116  108.825  726.165  120.373  253.871   17.268  229.444   21.250 24.42661 27.38181 
1 1 1    3   14   47 o  103.029   18.053  146.295   44.755   0.0000   0.0000  146.295   44.755  ?   ?   103.029   18.053 0.000000 18.05316 
1 1 1    3   15    0 o  250.081   11.953  782.662   74.647  855.785  127.133  744.189   92.217  260.262   19.707  243.209   15.261 17.05309 24.92561 
1 1 1    3   15    1 o  324.999   13.292  1322.53  107.875  1344.27  185.550  1311.43  132.585  325.968   22.941  322.971   16.494 2.997192 28.25508 
1 1 1    3   15    2 f  221.161   19.573  619.158  106.980   0.0000   0.0000  619.158  106.980  ?   ?   221.161   19.573 0.000000 19.57277 
1 1 1    3   15    3 o  231.552   13.919  673.917   80.108  695.415  111.206  650.729  115.497  234.548   19.154  226.606   20.636 7.941574 28.15544 
1 1 1    3   15    4 o  312.345   12.521  1221.17   97.663  1051.24  167.765  1308.28  120.115  287.956   23.536  323.126   14.886 -35.16992 27.84860 
1 1 1    3   15    5 o  436.918   16.316  2393.69  178.023  2161.00  307.187  2511.36  218.445  412.001   30.065  447.112   19.565 -35.11096 35.87046 
1 1 1    3   15    6 o  459.290   16.995  2646.00  194.921  2652.73  336.923  2642.61  238.973  456.806   29.697  458.462   20.874 -1.656036 36.29904 
1 1 1    3   15    7 o  274.737   21.150  954.602  143.988   0.0000   0.0000  954.602  143.988  ?   ?   274.737   21.150 0.000000 21.15004 
1 1 1    3   15    8 o  475.235   16.780  2832.34  199.138  2209.79  343.414  3147.73  244.431  415.827   33.352  500.604   19.553 -84.77728 38.66113 
1 1 1    3   15    9 o  469.171   17.344  2761.13  203.204  2498.22  351.087  2893.56  249.184  442.745   31.970  479.808   20.797 -37.06314 38.13908 
1 1 1    3   15   10 o  652.430   23.453  5358.75  382.112  5137.74  661.171  5469.60  468.226  631.798   42.149  657.859   28.502 -26.06091 50.88091 
1 1 1    3   15   11 o  665.001   23.651  5567.03  392.747  5081.37  679.266  5810.93  481.367  627.839   43.595  678.183   28.424 -50.34485 52.04293 
1 1 1    3   15   12 o  731.167   32.068  6773.94  585.510  6517.26  827.522  7031.27  828.550  709.885   46.946  738.397   45.151 -28.51178 65.13505 
1 1 1    3   15   13 f  571.509   20.853  4103.29  297.612  4068.10  515.417  4120.89  364.521  564.295   36.777  571.863   25.526 -7.567444 44.76772 
1 1 1    3   15   14 o  599.421   21.778  4515.96  325.991  4544.45  564.710  4501.71  399.228  596.134   38.134  597.475   26.758 -1.341309 46.58526 
1 1 1    3   15   15 o  426.310   15.804  2277.07  168.240  2656.27  292.024  2088.67  205.832  458.460   25.610  407.847   20.210 50.61304 32.62369 
1 1 1    3   15   16 o  441.911   16.274  2447.33  179.585  2280.34  310.710  2531.10  220.067  423.790   29.545  449.035   19.626 -25.24554 35.46910 
1 1 1    3   15   25 o  303.915   15.665  1164.62  118.485  1224.77  167.931  1104.99  167.197  310.293   21.811  294.365   22.926 15.92847 31.64381 
1 1 1    3   15   26 o  176.786   7.3470  390.937   32.435  494.722   46.556  293.053   45.213  198.759   9.3798  152.369   11.979 46.39026 15.21455 
1 1 1    3   15   27 o  122.020   6.7120  186.782   20.373  231.542   30.140  149.125   27.645  135.678   8.9460  108.582   10.320 27.09621 13.65744 
1 1 1    3   15   28 o  156.473   11.175  308.854   43.378   0.0000   0.0000  308.854   43.378  ?   ?   156.473   11.175 0.000000 11.17495 
1 1 1    3   15   29 o  222.087   12.649  622.297   69.860  622.297   69.860   0.0000   0.0000  222.087   12.649  ?   ?  0.000000 12.64900 
1 1 1    3   15   30 o  179.842   10.381  407.251   46.421  359.975   81.995  429.552   56.316  167.065   20.055  184.411   12.300 -17.34558 23.52610 
1 1 1    3   15   31 o  184.778   9.1596  428.094   42.265  392.880   61.565  459.485   58.127  175.961   14.130  190.732   12.269 -14.77162 18.71327 
1 1 1    3   15   32 o  331.280   11.710  1379.97   96.872  1434.57  138.480  1327.65  135.562  336.615   16.474  323.307   16.849 13.30728 23.56466 
1 1 1    3   15   33 o  152.620   7.9406  292.583   30.159  379.024   46.858  231.451   39.405  173.355   10.879  135.153   11.794 38.20190 16.04536 
1 1 1    3   15   34 o  111.357   12.679  158.138   34.629  186.564   60.866  144.533   42.108  119.128   21.239  105.611   16.507 13.51749 26.89924 
1 1 1    3   15   35 o  248.454   10.224  775.252   63.430  766.235   93.145  783.050   86.619  245.676   15.258  248.686   14.005 -3.010681 20.71101 
1 1 1    3   15   36 o  354.848   13.728  1589.54  121.643  1694.94  151.344  1397.20  204.455  365.509   16.581  327.631   25.183 37.87820 30.15122 
1 1 1    3   15   37 o  284.034   13.068  1018.00   92.693  1009.99  116.460  1031.86  153.110  281.531   16.639  282.532   21.872 -1.001068 27.48150 
1 1 1    3   15   38 o  161.947   11.364  331.931   45.664  332.604   62.523  331.162   66.853  161.126   15.740  160.454   16.941 0.6721191 23.12435 
1 1 1    3   15   39 o  178.169   12.408  402.968   54.861  488.138   87.327  347.437   70.513  194.453   18.195  164.012   17.486 30.44128 25.23554 
1 1 1    3   15   40 o  258.406   12.485  845.632   80.565  878.235  104.224  797.227  126.993  261.696   16.026  247.080   20.775 14.61665 26.23796 
1 1 1    3   15   41 o  208.515   13.059  554.937   67.656  474.744   87.543  673.863  106.608  190.637   18.627  227.231   18.961 -36.59450 26.57990 
1 1 1    3   15   42 o   94.728   12.890  116.385   29.700  128.023   50.513  110.236   36.718   96.729   21.472   91.031   16.770 5.698685 27.24499 
1 1 1    3   15   43 o  158.940   11.085  322.758   43.722  407.467   64.317  249.979   59.616  177.237   14.663  137.258   17.813 39.97864 23.07201 
1 1 1    3   15   44 o  152.747   30.866  346.926  113.685  346.926  113.685   0.0000   0.0000  152.747   30.866  ?   ?  0.000000 30.86625 
1 1 1    3   15   45 o  128.077   12.239  212.491   38.668  275.722   62.716  173.713   49.114  143.315   17.916  113.340   17.951 29.97429 25.36157 
1 1 1    3   15   46 o  133.139   12.619  230.668   41.454  289.083   67.788  195.774   52.393  145.649   19.098  120.072   18.030 25.57739 26.26470 
1 1 1    3   15   47 o  115.254   17.889  181.721   49.817   0.0000   0.0000  181.721   49.817  ?   ?   115.254   17.889 0.000000 17.88890 
1 1 1    3   16    0 f  145.739   9.6003  266.760   34.744  257.729   56.657  272.203   43.984  142.448   16.217  146.976   12.091 -4.528503 20.22812 
1 1 1    3   16    1 o  415.875   16.013  2168.57  166.298  2074.84  286.535  2216.17  204.209  403.969   28.589  419.992   19.471 -16.02380 34.58928 
1 1 1    3   16    2 o  181.089   9.9456  411.344   44.803  390.439   74.968  422.958   55.880  175.568   17.325  183.420   12.271 -7.852005 21.23054 
1 1 1    3   16    3 o  344.967   12.763  1489.71  109.945  1154.30  187.952  1664.18  135.557  301.512   25.194  364.437   14.895 -62.92575 29.26747 
1 1 1    3   16    4 o  317.909   17.063  1271.30  134.962  1460.05  189.898  1078.66  191.847  339.875   22.502  291.109   26.688 48.76611 34.90787 
1 1 1    3   16    5 o  297.509   12.665  1107.92   94.093  1066.22  161.769  1129.25  115.673  290.221   22.497  299.774   15.505 -9.553009 27.32244 
1 1 1    3   16    6 o  270.342   12.198  914.642   82.348  936.660  141.649  903.401  101.208  272.166   21.004  268.081   15.180 4.085266 25.91545 
1 1 1    3   16    7 o  111.081   9.8286  155.497   26.982  180.451   45.020  141.508   33.707  119.003   15.519  105.520   13.072 13.48308 20.29038 
1 1 1    3   16    8 o  562.703   19.843  3977.22  278.827  3299.58  481.332  4319.45  342.066  507.079   38.294  585.733   23.386 -78.65408 44.87044 
1 1 1    3   16    9 o  593.510   38.328  4512.90  565.033   0.0000   0.0000  4512.90  565.033  ?   ?   593.510   38.328 0.000000 38.32848 
1 1 1    3   16   10 o  280.156   11.905  982.054   83.289  881.453  143.447  1033.22  102.300  263.861   21.970  287.230   14.262 -23.36990 26.19352 
1 1 1    3   16   11 o  226.614   10.445  642.227   59.107  531.531  101.642  698.787   72.654  204.748   20.140  235.985   12.372 -31.23631 23.63659 
1 1 1    3   16   12 o  388.083   15.186  1886.78  147.174  1852.30  254.666  1904.07  180.339  382.258   26.849  389.539   18.539 -7.280945 32.62758 
1 1 1    3   16   13 o  474.004   17.733  2818.04  209.907  2618.34  363.241  2918.17  257.199  453.447   32.290  481.860   21.375 -28.41293 38.72333 
1 1 1    3   16   14 o  312.480   16.029  1226.85  124.656  1258.05  176.361  1195.70  176.219  315.488   22.534  307.428   23.123 8.059418 32.28719 
1 1 1    3   16   15 o  398.717   15.504  1991.84  154.367  2010.92  267.498  1982.31  189.015  398.327   27.053  397.412   19.046 0.9149475 33.08477 
1 1 1    3   16   16 f  413.815   15.857  2146.00  163.860  2204.45  283.963  2116.81  200.634  417.024   27.421  410.598   19.568 6.425354 33.68658 
1 1 1    3   16   17 o  470.267   17.450  2773.90  204.924  2706.52  354.818  2807.62  251.023  461.272   30.983  472.595   21.270 -11.32224 37.58162 
1 1 1    3   16   18 o  354.286   24.963  1590.06  219.440   0.0000   0.0000  1590.06  219.440  ?   ?   354.286   24.963 0.000000 24.96298 
1 1 1    3   16   19 o  358.326   25.211  1627.73  224.152   0.0000   0.0000  1627.73  224.152  ?   ?   358.326   25.211 0.000000 25.21098 
1 1 1    3   16   26 o   51.417   13.829   34.359   18.142   0.0000   0.0000   34.359   18.142  ?   ?    51.417   13.829 0.000000 13.82853 
1 1 1    3   16   27 o  202.514   8.4046  513.513   42.503  499.458   60.407  527.294   59.815  199.046   12.212  204.608   11.756 -5.561310 16.95109 
1 1 1    3   16   28 o  161.231   8.5294  326.509   34.219  273.425   48.934  377.310   47.870  146.794   13.500  173.016   11.139 -26.22107 17.50234 
1 1 1    3   16   29 o  440.203   14.602  2443.58  160.513  2415.60  227.341  2471.39  226.660  435.429   20.908  440.557   20.603 -5.127594 29.35316 
1 1 1    3   16   30 o  275.034   10.369  949.440   71.214  950.309  101.535  948.598   99.909  274.009   14.895  273.819   14.665 0.1897278 20.90232 
1 1 1    3   16   31 o  244.281   13.654  754.378   82.955  796.870  118.538  713.594  116.132  249.627   19.162  235.925   19.898 13.70222 27.62422 
1 1 1    3   16   32 o  288.713   10.911  1047.22   78.666  1046.92  112.532  1047.51  110.013  287.301   15.745  287.485   15.380 -0.1841125 22.01020 
1 1 1    3   16   33 o   92.657   9.5020  108.823   21.675   87.602   35.165  121.826   27.525   81.549   17.770   97.777   11.492 -16.22850 21.16256 
1 1 1    3   16   34 o  189.939   9.2740  452.563   43.988  355.320   64.977  534.837   59.766  166.852   15.782  205.880   11.673 -39.02823 19.62986 
1 1 1    3   16   35 o  232.747   9.6052  679.891   55.827  691.784   82.166  669.693   76.086  233.655   14.149  230.077   13.299 3.577469 19.41812 
1 1 1    3   16   36 o  351.976   17.969  1580.10  157.409  1602.95  227.215  1559.01  218.274  350.459   26.151  345.997   25.441 4.461578 36.48458 
1 1 1    3   16   37 o  201.732   8.9966  510.697   45.322  556.271   70.019  477.836   59.457  209.473   13.457  194.329   12.316 15.14453 18.24193 
1 1 1    3   16   38 o  131.301   9.5278  217.715   31.028  152.779   52.779  252.008   38.355  107.442   20.418  141.071   10.974 -33.62884 23.18029 
1 1 1    3   16   39 o  332.062   11.045  1389.85   91.586  1695.65  135.135  1130.05  124.556  365.409   14.809  297.124   16.857 68.28494 22.43791 
1 1 1    3   16   40 f  152.556   9.8744  294.369   37.416  251.917   62.966  317.541   46.519  138.735   18.647  158.029   11.875 -19.29399 22.10706 
1 1 1    3   16   41 o  249.716   14.498  798.737   90.016  847.394  133.302  757.950  122.046  253.655   21.240  240.216   20.543 13.43909 29.54940 
1 1 1    3   16   42 o   95.155   9.7798  115.590   22.908  172.389   51.081  101.291   25.630  113.725   18.632   88.526   11.895 25.19978 22.10536 
1 1 1    3   16   43 o   64.181   11.484   53.943   17.730   86.639   48.613   48.927   19.042   79.146   23.137   60.742   12.949 18.40461 26.51427 
1 1 1    3   16   44 o   80.946   10.361   84.595   20.462  186.242   52.759   66.598   22.200  117.504   18.600   70.981   13.004 46.52290 22.69434 
1 1 1    3   16   45 o  124.082   9.8944  197.009   30.403  215.726   60.707  190.743   35.126  125.500   20.045  121.490   11.724 4.009888 23.22173 
1 1 1    3   16   46 o   78.821   16.826   84.905   32.111   63.007  112.045   86.865   33.517   79.653   33.408   79.557   17.359 0.9609222E-01 37.64827 
1 1 1    3   17    0 o  485.616   32.306  3014.13  389.528   0.0000   0.0000  3014.13  389.528  ?   ?   485.616   32.306 0.000000 32.30582 
1 1 1    3   17    1 o  195.542   13.173  481.047   63.948   0.0000   0.0000  481.047   63.948  ?   ?   195.542   13.173 0.000000 13.17269 
1 1 1    3   17    2 o  481.876   31.961  2962.64  382.415  2962.64  382.415   0.0000   0.0000  481.876   31.961  ?   ?  0.000000 31.96103 
1 1 1    3   17    3 o  152.903   10.051  293.665   38.162  338.793   63.181  267.746   47.883  163.648   15.651  145.617   13.315 18.03081 20.54910 
1 1 1    3   17    4 o  240.607   11.118  724.300   66.799  674.870  113.644  750.394   82.569  230.896   19.904  244.406   13.582 -13.50949 24.09673 
1 1 1    3   17    5 f  185.386   12.434  432.112   57.230  421.343   78.395  444.400   83.741  182.433   17.420  187.299   18.131 -4.866135 25.14327 
1 1 1    3   17    6 o  390.741   15.541  1913.67  151.642  2025.06  261.904  1857.49  185.989  399.669   26.390  384.062   19.456 15.60742 32.78693 
1 1 1    3   17    7 o  538.283   19.267  3638.90  258.981  3118.95  446.999  3901.62  317.744  493.375   36.541  556.718   22.856 -63.34348 43.09999 
1 1 1    3   17    8 o  717.505   25.466  6492.73  456.280  5974.36  788.950  6753.25  559.307  678.802   46.830  730.116   30.677 -51.31415 55.98271 
1 1 1    3   17    9 o  128.644   10.210  208.263   32.531  307.398   55.072  155.137   40.316  156.013   14.295  110.269   15.033 45.74414 20.74436 
1 1 1    3   17   10 o  225.148   18.991  640.862  105.779   0.0000   0.0000  640.862  105.779  ?   ?   225.148   18.991 0.000000 18.99122 
1 1 1    3   17   11 o  265.581   11.456  882.422   75.979  750.920  130.811  949.373   93.338  243.419   21.749  275.362   13.574 -31.94281 25.63721 
1 1 1    3   17   12 f  352.364   14.105  1554.91  124.113  1479.24  214.585  1592.95  152.144  341.637   25.333  356.398   17.095 -14.76187 30.56155 
1 1 1    3   17   13 o  236.404   10.834  699.032   63.960  921.200  111.097  588.888   78.225  270.568   16.522  216.342   14.564 54.22556 22.02477 
1 1 1    3   17   14 o  221.938   10.663  616.072   59.095  604.168  102.465  622.005   72.337  218.569   18.961  222.526   13.075 -3.957413 23.03213 
1 1 1    3   17   15 o  251.594   14.095  795.231   88.196  782.383  124.769  808.062  124.688  248.729   20.264  252.859   19.908 -4.129791 28.40668 
1 1 1    3   17   16 o  355.981   14.158  1587.22  125.858  1636.81  218.226  1562.51  154.061  359.575   24.449  352.908   17.482 6.667145 30.05565 
1 1 1    3   17   17 o  215.587   10.054  581.273   54.127  652.414   93.877  545.847   66.247  227.475   16.642  208.420   12.790 19.05524 20.98898 
1 1 1    3   17   18 o  155.121   8.8510  301.820   34.143  327.811   59.088  288.791   41.835  161.052   14.860  151.517   11.135 9.535248 18.56860 
1 1 1    3   17   19 o  422.993   16.133  2244.62  170.413  2346.50  295.164  2193.68  208.712  429.672   27.656  417.635   20.012 12.03705 34.13726 
1 1 1    3   17   20 o  292.440   21.908  1083.85  158.826  1083.85  158.826   0.0000   0.0000  292.440   21.908  ?   ?  0.000000 21.90795 
1 1 1    3   17   29 o  306.213   11.194  1177.79   85.599  1146.93  121.259  1208.45  120.853  300.772   16.204  308.893   15.719 -8.120331 22.57604 
1 1 1    3   17   30 o  239.132   9.0974  716.940   54.325  758.511   77.444  676.666   76.226  245.170   12.693  231.418   13.245 13.75215 18.34528 
1 1 1    3   17   31 o  150.898   8.4274  286.225   31.629  241.397   45.933  326.646   43.617  137.754   13.527  160.887   10.921 -23.13239 17.38561 
1 1 1    3   17   32 o  225.950   9.5385  640.508   53.820  603.427   77.259  675.468   75.017  218.220   14.256  231.196   13.047 -12.97620 19.32485 
1 1 1    3   17   33 o  291.655   15.256  1078.19  110.726  1127.92  157.767  1029.92  155.439  296.190   21.476  282.684   22.198 13.50595 30.88657 
1 1 1    3   17   34 o  101.551   7.6342  129.899   19.218  165.018   32.752  111.458   23.733  113.952   11.675   93.650   10.320 20.30299 15.58179 
1 1 1    3   17   35 o  161.145   8.8435  326.644   35.451  276.003   53.867  365.336   47.085  147.031   14.876  170.097   11.147 -23.06549 18.58875 
1 1 1    3   17   36 o  120.356   8.1116  182.387   24.237  231.555   41.395  156.738   29.898  135.008   12.417  111.125   10.915 23.88380 16.53273 
1 1 1    3   17   37 o  368.077   12.721  1708.90  116.923  1797.29  168.014  1625.89  162.817  375.612   17.912  356.643   18.344 18.96942 25.63885 
1 1 1    3   17   38 o  228.567   15.795  666.565   89.601  529.061  135.202  774.252  119.649  198.894   27.996  245.008   19.723 -46.11353 34.24593 
1 1 1    3   17   39 o  369.263   11.996  1721.80  110.619  2021.82  160.804  1452.29  152.412  398.327   16.166  336.229   18.220 62.09836 24.35831 
1 1 1    3   17   40 o  251.811   10.226  799.344   64.306  820.440   97.068  782.843   85.847  253.137   15.429  247.820   13.928 5.317596 20.78615 
1 1 1    3   17   41 o  152.038   9.3097  292.390   35.176  295.928   60.053  290.542   43.400  151.039   16.173  151.022   11.597 0.1673889E-01 19.90115 
1 1 1    3   17   42 o  127.184   8.8238  204.926   27.851  314.073   53.547  164.447   32.610  156.122   13.880  113.206   11.704 42.91605 18.15572 
1 1 1    3   17   43 o  152.657   12.352  299.419   46.685  369.714   75.823  256.501   59.246  166.994   18.493  139.272   17.416 27.72240 25.40275 
1 1 1    3   17   44 o   68.286   11.444   61.026   18.824   67.350   48.361   59.897   20.435   70.846   23.465   67.334   12.617 3.512268 26.64161 
1 1 1    3   17   45 o   84.162   10.460   91.573   21.510  166.897   53.107   76.790   23.526  110.112   20.053   76.300   12.801 33.81133 23.79012 
1 1 1    3   17   46 o   78.199   12.533   80.615   23.647   0.0000   0.0000   80.615   23.647  ?   ?    78.199   12.533 0.000000 12.53278 
1 1 1    3   18    0 o  372.299   18.723  1748.13  173.509   0.0000   0.0000  1748.13  173.509  ?   ?   372.299   18.723 0.000000 18.72262 
1 1 1    3   18    1 o  469.475   31.386  2819.17  365.838  2819.17  365.838   0.0000   0.0000  469.475   31.386  ?   ?  0.000000 31.38593 
1 1 1    3   18    2 o  157.498   9.5601  311.407   37.422  278.828   60.666  331.418   47.546  148.114   16.693  162.275   11.814 -14.16087 20.45090 
1 1 1    3   18    3 f  222.479   11.306  621.076   62.607  676.556  105.826  591.203   77.655  231.319   18.474  216.704   14.432 14.61478 23.44353 
1 1 1    3   18    4 o  728.104   25.580  6697.29  465.103  5967.46  803.415  7065.17  570.403  676.006   47.903  745.955   30.621 -69.94904 56.85347 
1 1 1    3   18    5 o  348.339   13.711  1520.04  119.264  1345.52  204.699  1609.72  146.743  325.485   25.385  358.215   16.405 -32.72964 30.22445 
1 1 1    3   18    6 o  197.084   12.720  488.333   62.268  475.708   85.292  502.741   91.116  193.859   17.818  199.231   18.526 -5.371735 25.70424 
1 1 1    3   18    7 o  245.353   11.498  753.299   70.449  783.011  120.465  737.856   86.849  248.872   19.541  242.245   14.422 6.626328 24.28649 
1 1 1    3   18    8 o  679.834   24.447  5827.87  415.027  5666.70  717.950  5908.75  508.620  661.987   43.676  682.901   29.825 -20.91364 52.88787 
1 1 1    3   18    9 o  391.113   15.352  1917.35  149.942  1935.80  258.915  1908.04  183.923  390.592   26.705  389.776   18.896 0.8158875 32.71427 
1 1 1    3   18   10 o  426.339   16.490  2279.53  175.558  2383.22  303.571  2227.43  215.192  433.211   28.215  420.937   20.472 12.27332 34.85987 
1 1 1    3   18   11 o  409.119   15.888  2098.42  162.316  2120.26  280.701  2087.45  198.950  408.655   27.670  407.623   19.545 1.032135 33.87649 
1 1 1    3   18   12 o  426.452   28.856  2311.37  305.490   0.0000   0.0000  2311.37  305.490  ?   ?   426.452   28.856 0.000000 28.85621 
1 1 1    3   18   13 o  412.113   15.813  2129.20  162.736  2395.79  282.170  1996.33  199.204  434.880   26.104  398.053   20.105 36.82669 32.94910 
1 1 1    3   18   14 o  257.570   11.569  830.167   74.414  828.947  129.010  830.775   91.095  256.001   20.348  257.128   14.243 -1.126801 24.83769 
1 1 1    3   18   15 f  420.941   16.188  2222.13  170.163  2085.24  294.654  2290.62  208.433  404.731   29.353  426.951   19.550 -22.21945 35.26760 
1 1 1    3   18   16 o  111.236   11.106  156.358   30.438  196.046   43.157  117.075   42.936  124.294   14.157   94.906   18.782 29.38715 23.51954 
1 1 1    3   18   17 o  633.419   22.420  5055.03  354.627  5284.23  614.584  4940.63  434.203  640.931   38.579  624.692   27.834 16.23938 47.57151 
1 1 1    3   18   18 o  348.486   13.406  1521.53  116.667  1706.12  202.471  1429.78  142.748  367.277   22.180  337.040   17.015 30.23743 27.95487 
1 1 1    3   18   19 o  368.467   14.277  1702.31  131.369  2029.64  228.058  1539.76  160.711  400.387   22.905  349.461   18.482 50.92523 29.43113 
1 1 1    3   18   20 o  530.361   19.198  3541.05  254.255  3363.43  439.887  3630.16  311.573  511.104   34.670  535.962   23.280 -24.85858 41.76080 
1 1 1    3   18   31 o  359.730   12.502  1629.01  112.303  1642.62  159.117  1615.50  158.525  359.758   17.712  356.748   17.794 3.009735 25.10659 
1 1 1    3   18   32 f  210.660   8.7149  556.353   45.845  553.033   65.638  559.514   64.061  209.193   12.624  210.495   12.240 -1.301437 17.58353 
1 1 1    3   18   33 o  231.420   8.9245  671.594   51.574  753.074   74.231  595.558   71.709  244.605   12.153  216.958   13.300 27.64655 18.01589 
1 1 1    3   18   34 o  145.124   8.7726  265.051   31.643  314.385   40.897  191.466   49.947  157.861   10.433  121.765   16.880 36.09588 19.84422 
1 1 1    3   18   35 o  230.074   12.820  669.221   73.360  763.203  105.548  581.390  102.036  244.517   17.399  212.649   19.430 31.86838 26.08145 
1 1 1    3   18   36 o  155.578   8.4595  304.409   32.742  307.568   50.621  302.138   42.932  155.601   13.151  154.578   11.198 1.023605 17.27253 
1 1 1    3   18   37 o  197.444   9.1683  489.383   45.205  462.515   68.008  510.650   60.506  190.680   14.389  200.932   12.115 -10.25162 18.80985 
1 1 1    3   18   38 o   82.126   9.4086   85.826   18.947   49.362   36.829   98.952   22.096   62.856   20.460   88.119   10.232 -25.26295 22.87599 
1 1 1    3   18   39 o  124.662   13.205  198.851   40.482  310.334   82.868  163.906   46.395  153.223   22.313  112.074   17.121 41.14934 28.12433 
1 1 1    3   18   40 o  326.312   10.408  1342.97   84.807  1672.14  125.481  1066.19  115.065  362.710   13.854  288.350   16.043 74.36035 21.19701 
1 1 1    3   18   41 o  195.391   8.5246  480.482   41.594  681.862   67.879  359.408   52.632  231.649   11.773  167.742   12.658 63.90668 17.28677 
1 1 1    3   18   42 o  205.626   8.8501  533.256   45.444  725.044   73.742  415.821   57.703  238.308   12.435  180.134   12.914 58.17346 17.92703 
1 1 1    3   18   43 o  266.520   10.200  900.805   67.884  1074.76  103.902  771.250   89.669  288.913   14.401  244.150   14.777 44.76294 20.63393 
1 1 1    3   18   44 o  168.174   10.075  360.503   42.118  294.491   70.002  397.960   52.731  147.847   19.431  175.957   12.074 -28.11012 22.87662 
1 1 1    3   18   45 o  102.923   13.420  138.834   33.670  180.124   61.450  121.120   40.250  113.212   22.528   94.407   17.724 18.80474 28.66477 
1 1 1    3   18   46 o   24.549   10.633  -1.2820   12.017   0.0000   0.0000  -1.2820   12.017  ?   ?    24.549   10.633 0.000000 10.63303 
1 1 1    3   19    0 o  165.690   11.026  345.414   45.359  424.255   73.764  297.476   57.519  182.965   16.316  153.129   15.245 29.83588 22.32936 
1 1 1    3   19    1 o  443.981   17.321  2479.58  192.042  2703.47  330.718  2365.69  235.886  459.694   28.958  432.165   21.929 27.52856 36.32416 
1 1 1    3   19    2 o  322.365   13.035  1302.64  104.930  1167.25  178.746  1373.82  129.613  302.870   23.826  330.765   15.692 -27.89532 28.52915 
1 1 1    3   19    3 o   97.510   17.086  122.919   40.089   0.0000   0.0000  122.919   40.089  ?   ?    97.510   17.086 0.000000 17.08641 
1 1 1    3   19    4 o  623.619   22.821  4908.30  355.397  5102.92  614.705  4810.58  435.576  628.138   39.388  615.599   28.334 12.53833 48.52071 
1 1 1    3   19    5 o  290.581   12.682  1057.66   92.023  1123.12  157.441  1023.70  113.414  297.829   21.310  285.166   15.991 12.66272 26.64233 
1 1 1    3   19    6 o  232.841   11.941  680.558   69.196  823.153  117.992  605.809   85.428  255.239   18.641  219.194   15.711 36.04485 24.37900 
1 1 1    3   19    7 o  180.695   10.292  409.805   46.249  439.355   77.746  393.621   57.537  186.332   16.892  176.784   13.127 9.548141 21.39311 
1 1 1    3   19    8 o  810.599   35.282  8392.71  714.187  7880.10  1008.44  8908.53  1011.60  773.461   52.522  825.074   49.324 -51.61304 72.05144 
1 1 1    3   19    9 o  111.859   10.066  157.781   27.816  213.878   45.702  124.774   35.057  129.857   14.333   98.710   14.668 31.14627 20.50767 
1 1 1    3   19   10 o  494.415   18.480  3070.94  228.159  3580.00  395.347  2816.72  279.378  530.381   29.972  471.984   23.780 58.39688 38.26007 
1 1 1    3   19   11 o  521.339   19.381  3416.50  252.316  3672.86  436.953  3288.25  309.048  536.267   32.786  510.496   24.243 25.77145 40.77578 
1 1 1    3   19   12 o  158.422   9.6581  315.053   38.026  364.257   65.201  289.691   46.811  169.730   15.556  151.598   12.476 18.13100 19.94102 
1 1 1    3   19   13 o  226.702   19.095  650.440  107.095   0.0000   0.0000  650.440  107.095  ?   ?   226.702   19.095 0.000000 19.09534 
1 1 1    3   19   14 o  641.459   23.234  5188.82  372.168  5141.09  644.587  5212.69  455.821  630.667   41.155  641.349   28.461 -10.68195 50.03720 
1 1 1    3   19   15 o  413.851   15.946  2148.81  164.798  1926.43  285.255  2260.21  201.900  388.502   29.626  424.006   19.068 -35.50403 35.23232 
1 1 1    3   19   16 o  308.522   13.001  1192.44  100.168  1106.55  173.532  1235.36  122.668  295.139   23.746  313.790   15.655 -18.65118 28.44189 
1 1 1    3   19   17 o  492.845   18.258  3053.75  224.705  3299.05  389.774  2931.64  275.004  508.150   30.863  481.954   22.850 26.19510 38.40071 
1 1 1    3   19   18 o  362.252   17.819  1649.97  161.190  1669.26  227.788  1630.62  228.126  362.231   25.342  357.900   25.696 4.330963 36.09009 
1 1 1    3   19   19 o  150.538   8.6579  284.386   32.409  402.977   56.413  225.960   39.596  178.863   12.713  133.769   11.980 45.09460 17.46848 
1 1 1    3   19   20 f  343.726   12.733  1481.27  109.289  1702.78  189.494  1370.86  133.781  366.711   20.778  330.245   16.222 36.46628 26.36083 
1 1 1    3   19   21 f  155.754   7.9822  304.228   30.942  296.550   52.659  308.277   38.240  153.081   13.928  156.615   9.8275 -3.534622 17.04575 
1 1 1    3   19   22 o  145.901   9.4771  267.626   34.342   0.0000   0.0000  267.626   34.342  ?   ?   145.901   9.4771 0.000000 9.477107 
1 1 1    3   19   33 o  181.969   8.6539  415.168   39.324  373.229   56.212  455.364   55.033  171.566   13.222  189.904   11.661 -18.33878 17.62995 
1 1 1    3   19   34 o   88.510   6.9006   98.671   15.132   99.076   23.733   98.394   19.642   88.101   11.029   88.108   9.0560 -0.7278442E-02 14.27066 
1 1 1    3   19   35 o  187.962   8.3730  442.952   39.301  454.621   57.414  432.664   53.911  189.604   12.191  185.038   11.728 4.565765 16.91609 
1 1 1    3   19   36 o  104.194   9.1314  137.277   23.519  180.176   32.510   90.167   34.068  119.180   11.049   82.782   17.048 36.39758 20.31530 
1 1 1    3   19   37 o  132.050   11.031  220.954   36.043  265.299   54.139  185.653   48.304  143.889   15.302  119.784   16.594 24.10440 22.57258 
1 1 1    3   19   38 o  193.311   9.4332  469.595   45.537  404.745   67.962  522.433   61.344  177.876   15.454  203.117   12.150 -25.24075 19.65802 
1 1 1    3   19   39 o  207.719   8.9994  542.327   46.681  592.735   70.769  503.501   62.109  215.954   13.186  199.144   12.554 16.81041 18.20625 
1 1 1    3   19   40 o  100.024   8.6802  126.746   21.466  134.552   40.155  123.623   25.400  101.310   16.435   98.445   10.494 2.865067 19.49978 
1 1 1    3   19   41 o  135.951   14.387  238.555   48.102  226.783   93.137  242.837   56.173  126.327   29.975  136.375   16.853 -10.04821 34.38824 
1 1 1    3   19   42 o   59.900   11.416   47.012   16.452   23.942   37.713   52.435   18.284   51.897   20.212   63.210   12.022 -11.31326 23.51701 
1 1 1    3   19   43 o  149.833   9.3380  285.086   34.765  307.097   59.565  273.715   42.814  153.225   15.794  146.058   11.840 7.166458 19.73908 
1 1 1    3   19   44 o  183.707   9.4507  428.971   43.208  489.072   72.225  395.473   53.922  193.633   15.055  175.248   12.402 18.38571 19.50523 
1 1 1    3   19   45 o  189.569   12.479  463.873   58.742   0.0000   0.0000  463.873   58.742  ?   ?   189.569   12.479 0.000000 12.47858 
1 1 1    3   20    0 o  241.285   19.840  741.471  118.483  741.471  118.483   0.0000   0.0000  241.285   19.840  ?   ?  0.000000 19.83997 
1 1 1    3   20    1 o  267.805   12.183  899.670   81.478  918.783  137.606  889.352  101.107  268.704   20.666  265.475   15.316 3.228760 25.72299 
1 1 1    3   20    2 o  307.814   12.643  1188.54   97.182  1076.13  164.989  1248.25  120.257  290.501   22.930  315.116   15.282 -24.61505 27.55591 
1 1 1    3   20    3 o  250.489   11.433  786.202   71.518  749.479  120.561  806.141   88.836  242.880   20.057  253.024   14.116 -10.14413 24.52649 
1 1 1    3   20    4 o  228.025   19.476  660.099  109.838   0.0000   0.0000  660.099  109.838  ?   ?   228.025   19.476 0.000000 19.47631 
1 1 1    3   20    5 o  295.836   12.478  1096.85   92.182  1044.20  157.166  1124.46  113.814  286.682   22.125  298.871   15.301 -12.18872 26.90038 
1 1 1    3   20    6 o  243.765   12.039  744.409   73.283  889.805  124.943  668.157   90.482  265.191   18.993  230.128   15.841 35.06371 24.73207 
1 1 1    3   20    7 o  105.080   9.8703  139.378   25.597  156.583   40.650  128.075   32.949  110.699   15.099  100.182   13.516 10.51725 20.26452 
1 1 1    3   20    8 o  616.610   22.460  4799.07  345.844  5384.90  599.103  4506.27  423.541  646.089   37.291  595.554   28.479 50.53510 46.92229 
1 1 1    3   20    9 o  187.045   13.895  441.007   64.438  555.824   88.990  314.444   93.431  209.648   17.148  155.822   24.845 53.82631 30.18858 
1 1 1    3   20   10 o  652.294   23.479  5373.97  382.449  5996.17  662.821  5063.44  468.261  681.130   39.133  631.003   29.717 50.12732 49.13758 
1 1 1    3   20   11 o  433.798   16.693  2363.28  180.831  2629.08  313.052  2230.18  221.528  454.437   27.719  420.147   21.182 34.29050 34.88585 
1 1 1    3   20   12 o  100.529   9.4504  127.531   23.446  180.778   39.500   98.566   29.133  119.347   13.490   87.630   13.767 31.71761 19.27480 
1 1 1    3   20   13 o  110.614   9.1693  154.090   25.100  279.385   43.555   91.794   30.712  148.903   11.810   84.271   15.151 64.63179 19.21043 
1 1 1    3   20   14 o  117.502   11.479  174.518   33.251   0.0000   0.0000  174.518   33.251  ?   ?   117.502   11.479 0.000000 11.47863 
1 1 1    3   20   15 o  398.890   27.487  2029.22  272.131   0.0000   0.0000  2029.22  272.131  ?   ?   398.890   27.487 0.000000 27.48737 
1 1 1    3   20   16 o  165.393   9.6225  343.438   39.571  439.894   69.457  297.086   48.149  186.615   15.032  153.447   12.679 33.16801 19.66506 
1 1 1    3   20   17 o  470.287   17.736  2782.65  208.291  2937.73  361.210  2705.39  254.948  478.818   30.366  462.751   22.062 16.06711 37.53482 
1 1 1    3   20   18 o  561.904   25.196  4006.53  353.551  4254.42  500.756  3760.13  499.242  573.738   35.120  538.040   37.390 35.69843 51.29737 
1 1 1    3   20   19 o  328.136   16.770  1358.20  136.953  1513.46  193.637  1202.80  193.726  345.045   22.598  306.647   25.531 38.39804 34.09511 
1 1 1    3   20   20 o  125.590   8.4358  198.237   26.303  241.242   45.410  176.524   32.267  138.007   13.343  118.178   11.062 19.82841 17.33254 
1 1 1    3   20   21 o   93.606   8.4799  110.547   19.607  144.368   33.336   92.659   24.243  106.501   12.790   85.174   11.708 21.32648 17.33976 
1 1 1    3   20   22 o  324.364   13.128  1321.45  106.337  1467.27  183.990  1248.31  130.303  339.368   21.826  314.267   16.663 25.10144 27.46003 
1 1 1    3   20   23 o  205.713   12.988  533.790   66.378   0.0000   0.0000  533.790   66.378  ?   ?   205.713   12.988 0.000000 12.98807 
1 1 1    3   20   35 o  301.332   10.978  1142.00   82.611  1223.67  117.239  1061.46  116.423  310.919   15.100  288.850   16.206 22.06900 22.15041 
1 1 1    3   20   36 o  282.005   10.511  999.909   74.023  1006.21  105.582  993.816  103.809  281.478   15.076  279.784   14.912 1.693939 21.20467 
1 1 1    3   20   37 o  169.549   8.2070  360.570   34.748  406.051   51.520  322.618   47.064  179.158   11.578  159.549   11.898 19.60953 16.60145 
1 1 1    3   20   38 f   80.999   11.302   84.251   22.238   68.945   30.919  100.654   32.008   72.092   17.378   87.850   15.137 -15.75808 23.04617 
1 1 1    3   20   39 o  212.564   12.551  573.664   66.328  665.520   95.562  488.277   92.135  227.514   16.941  193.828   19.292 33.68573 25.67438 
1 1 1    3   20   40 o  115.302   8.5451  168.094   24.429  188.711   40.447  156.254   30.651  121.113   13.609  110.626   11.252 10.48682 17.65826 
1 1 1    3   20   41 o  150.649   8.1681  286.369   30.613  379.756   49.965  230.244   38.735  172.675   11.656  134.261   11.669 38.41354 16.49328 
1 1 1    3   20   42 o  143.965   8.3671  262.074   29.951  372.084   50.464  202.252   37.213  170.613   11.919  125.519   12.019 45.09406 16.92753 
1 1 1    3   20   43 o   93.265   15.115  115.004   33.999  163.180   88.321  106.623   36.837  104.938   31.320   89.050   17.188 15.88868 35.72662 
1 1 1    3   20   44 o  183.028   8.8960  424.088   40.660  574.012   67.640  339.265   50.878  210.988   12.900  162.116   12.668 48.87260 18.08016 
1 1 1    3   20   45 o  139.549   11.807  251.326   40.758   0.0000   0.0000  251.326   40.758  ?   ?   139.549   11.807 0.000000 11.80679 
1 1 1    3   21    0 o  309.086   12.969  1201.62  100.101  1141.49  169.796  1233.65  123.927  298.109   22.986  312.202   15.949 -14.09256 27.97740 
1 1 1    3   21    1 f  196.132   12.039  484.884   58.678  381.900   76.405  632.949   91.615  172.880   17.960  223.335   16.545 -50.45508 24.41930 
1 1 1    3   21    2 o  335.437   13.167  1413.90  110.297  1254.80  187.740  1497.76  136.300  312.760   24.227  344.752   15.832 -31.99179 28.94118 
1 1 1    3   21    3 f  339.474   14.204  1448.86  120.411  1508.44  206.179  1418.03  148.335  343.349   24.202  334.728   17.810 8.620880 30.04874 
1 1 1    3   21    4 o  246.412   11.840  761.544   72.858  805.026  123.137  738.122   90.375  251.601   19.758  241.805   15.041 9.796066 24.83153 
1 1 1    3   21    5 f  447.991   16.468  2526.47  184.225  2269.15  316.830  2657.91  226.439  419.436   30.457  458.672   19.770 -39.23544 36.31045 
1 1 1    3   21    6 o  536.063   35.623  3733.58  474.152   0.0000   0.0000  3733.58  474.152  ?   ?   536.063   35.623 0.000000 35.62299 
1 1 1    3   21    7 o  442.643   17.239  2466.50  190.554  2747.42  329.223  2324.97  233.673  463.053   28.612  428.143   21.930 34.91016 36.04896 
1 1 1    3   21    8 o  435.773   16.206  2387.71  176.357  2155.74  303.731  2505.69  216.611  409.635   29.899  445.723   19.461 -36.08813 35.67437 
1 1 1    3   21    9 o  636.015   23.215  5121.75  368.705  5587.91  638.584  4888.63  451.580  654.934   39.226  618.871   29.220 36.06250 48.91320 
1 1 1    3   21   10 o  282.508   12.672  1000.62   89.399  1321.46  154.331  838.593  109.673  323.244   19.206  257.632   17.145 65.61258 25.74504 
1 1 1    3   21   11 o  193.173   12.753  469.864   61.173  470.188   84.855  469.514   88.268  192.470   17.858  192.193   18.625 0.2774658 25.80339 
1 1 1    3   21   12 o  280.156   12.261  983.737   85.782  1286.39  148.630  832.569  105.042  319.020   18.739  256.825   16.465 62.19543 24.94515 
1 1 1    3   21   13 o  396.579   15.332  1975.55  151.833  2381.75  263.529  1773.71  185.764  432.783   24.485  374.487   19.936 58.29602 31.57444 
1 1 1    3   21   14 o  216.093   10.551  584.738   56.935  654.466   98.979  550.258   69.603  227.370   17.569  209.016   13.406 18.35387 22.09938 
1 1 1    3   21   15 o  357.223   14.337  1602.07  127.897  1572.18  221.620  1616.99  156.608  350.944   25.462  358.404   17.498 -7.460419 30.89460 
1 1 1    3   21   16 f  125.046   15.977  199.739   48.751   0.0000   0.0000  199.739   48.751  ?   ?   125.046   15.977 0.000000 15.97731 
1 1 1    3   21   17 o  145.044   9.0061  264.299   32.459  401.368   57.328  199.625   39.379  178.397   12.957  125.513   12.741 52.88366 18.17158 
1 1 1    3   21   18 f  705.078   25.560  6329.80  450.046  6234.38  779.497  6377.52  551.193  683.915   45.908  704.305   31.340 -20.39026 55.58507 
1 1 1    3   21   19 o  254.398   11.415  811.441   72.515  919.379  125.918  757.879   88.701  269.191   18.851  245.118   14.556 24.07346 23.81678 
1 1 1    3   21   20 f  248.733   10.667  775.473   66.256  855.958  114.862  735.339   81.111  259.837   17.810  241.560   13.500 18.27660 22.34817 
1 1 1    3   21   21 o  307.604   16.249  1196.04  124.373  1252.33  175.199  1138.86  176.591  313.036   22.564  298.011   23.931 15.02490 32.89088 
1 1 1    3   21   22 o  128.478   8.7200  207.660   27.811  263.756   47.543  178.480   34.290  144.234   13.351  118.671   11.724 25.56338 17.76846 
1 1 1    3   21   23 o  170.677   8.7573  365.849   37.199  362.760   63.221  367.484   46.006  168.977   15.143  170.795   10.843 -1.817230 18.62472 
1 1 1    3   21   24 o  295.425   14.618  1100.24  107.841   0.0000   0.0000  1100.24  107.841  ?   ?   295.425   14.618 0.000000 14.61797 
1 1 1    3   21   37 o  147.413   12.228  276.009   44.606  234.739   64.487  313.870   61.766  133.930   19.885  156.361   16.046 -22.43048 25.55220 
1 1 1    3   21   38 o   93.718   8.1630  111.059   18.913  107.435   28.827  113.798   25.061   91.278   13.016   94.436   10.822 -3.158386 16.92723 
1 1 1    3   21   39 o   75.365   8.7127   72.332   16.095  104.852   26.542   53.418   20.241   90.283   12.075   63.786   13.145 26.49774 17.84917 
1 1 1    3   21   40 o  257.462   10.273  836.683   66.049  839.040   95.315  834.505   91.611  255.865   14.983  255.412   14.422 0.4535828 20.79641 
1 1 1    3   21   41 o  151.460   11.449  292.500   42.984  355.008   62.682  237.012   59.056  165.657   15.326  134.107   18.097 31.54993 23.71445 
1 1 1    3   21   42 o  108.796   8.7602  150.301   23.598  161.923   39.130  143.658   29.584  111.443   14.397  105.738   11.383 5.704987 18.35379 
1 1 1    3   21   43 o   74.382   10.238   71.482   18.513   63.010   34.438   74.925   21.954   68.045   19.349   75.731   12.010 -7.686340 22.77341 
1 1 1    3   21   44 o   40.199   13.493   19.751   15.982   0.0000   0.0000   19.751   15.982  ?   ?    40.199   13.493 0.000000 13.49332 
1 1 1    3   22    0 o  224.313   11.448  634.456   63.912  642.768  106.256  629.745   80.001  223.827   19.196  222.832   14.455 0.9955597 24.02997 
1 1 1    3   22    1 o   28.255   11.241   5.1423   11.885   18.601   14.703 -20.2294   20.188   39.311   12.934   26.278   12.301 13.03251 17.84991 
1 1 1    3   22    2 o  193.820   14.065  475.833   67.610  532.735   90.727  404.774  101.387  204.259   17.970  176.310   23.622 27.94891 29.68007 
1 1 1    3   22    3 o  133.315   10.291  224.248   33.994  242.223   54.055  212.489   43.721  137.614   16.030  129.208   13.762 8.406372 21.12727 
1 1 1    3   22    4 o  502.581   18.769  3199.13  235.562  3114.50  406.079  3242.05  289.192  487.361   33.571  504.166   22.970 -16.80515 40.67736 
1 1 1    3   22    5 o  248.735   11.632  776.504   72.250  788.974  122.325  769.823   89.537  248.742   19.859  246.877   14.588 1.864685 24.64117 
1 1 1    3   22    6 o  126.046   9.7137  200.221   30.339  204.857   48.463  197.233   38.906  126.589   15.665  124.688   12.671 1.900421 20.14840 
1 1 1    3   22    7 o  198.351   18.391  501.096   90.057   0.0000   0.0000  501.096   90.057  ?   ?   198.351   18.391 0.000000 18.39082 
1 1 1    3   22    8 o  431.869   16.558  2350.10  178.568  2389.21  308.046  2330.32  219.143  430.617   28.813  429.022   20.455 1.594696 35.33530 
1 1 1    3   22    9 o  296.566   13.181  1104.34   97.616  1330.55  168.112  989.268  119.899  323.508   20.922  279.616   17.256 43.89212 27.11957 
1 1 1    3   22   10 o  264.348   11.738  876.331   77.485  843.641  132.731  893.230   95.434  257.362   20.831  266.209   14.410 -8.847229 25.32948 
1 1 1    3   22   11 o  111.343   9.8473  156.465   27.097  262.489   45.344   97.569   33.796  144.073   12.735   86.669   16.211 57.40366 20.61491 
1 1 1    3   22   12 o  607.893   27.465  4722.50  416.924  5073.91  589.731  4371.35  589.510  622.513   38.120  575.339   41.306 47.17371 56.20801 
1 1 1    3   22   13 o  382.692   14.957  1841.43  142.939  2255.32  248.159  1635.94  174.859  420.676   23.720  359.307   19.562 61.36856 30.74549 
1 1 1    3   22   14 o  138.438   9.5741  241.127   32.895  215.940   57.202  253.571   40.208  129.611   18.173  141.756   11.457 -12.14546 21.48277 
1 1 1    3   22   15 o  164.756   9.9786  341.252   40.861  336.923   71.689  343.335   49.729  162.463   17.972  164.989   12.156 -2.526566 21.69641 
1 1 1    3   22   16 o  168.360   9.7950  356.234   41.003  402.983   71.807  333.616   49.946  178.138   16.324  162.580   12.396 15.55759 20.49659 
1 1 1    3   22   17 o   91.380   15.923  108.150   35.015   0.0000   0.0000  108.150   35.015  ?   ?    91.380   15.923 0.000000 15.92306 
1 1 1    3   22   18 o  567.510   20.642  4082.82  292.541  4566.67  507.742  3842.38  357.920  591.364   34.533  548.055   26.152 43.30945 43.31799 
1 1 1    3   22   19 o  145.615   9.8701  266.928   35.679  289.744   62.158  255.717   43.571  150.629   16.812  142.167   12.397 8.461456 20.88813 
1 1 1    3   22   20 o  210.139   9.6111  553.390   50.435  669.798   87.471  495.416   61.729  230.045   15.314  198.184   12.538 31.86014 19.79174 
1 1 1    3   22   21 o  263.525   11.260  871.734   74.102  1236.71  129.122  692.499   90.486  312.478   16.607  233.804   15.587 78.67413 22.77640 
1 1 1    3   22   22 o  274.214   15.612  952.067  106.462  1175.92  149.895  724.191  151.236  303.597   19.881  235.956   26.104 67.64058 32.81291 
1 1 1    3   22   23 o  103.172   8.6530  134.306   22.088  156.430   36.934  121.988   27.559  110.628   13.659   97.879   11.494 12.74884 17.85177 
1 1 1    3   22   24 o  173.341   8.5671  376.537   37.084  441.203   63.149  342.498   45.816  186.630   13.644  164.734   11.204 21.89641 17.65505 
1 1 1    3   22   25 o  182.754   9.9267  420.372   45.133  604.020   77.266  325.259   55.605  218.346   14.249  159.982   14.061 58.36308 20.01864 
1 1 1    3   22   40 o  175.337   12.535  392.290   54.524  402.419   78.810  382.991   75.512  175.537   18.245  171.344   17.913 4.193436 25.56875 
1 1 1    3   22   41 o   94.382   8.2990  113.026   19.361  125.075   30.194  104.613   25.231   98.363   12.581   90.104   11.474 8.259438 17.02687 
1 1 1    3   22   42 o  131.125   8.6937  217.955   28.306  201.611   43.228  230.222   37.451  124.546   14.150  134.106   11.288 -9.560188 18.10115 
1 1 1    3   22   43 o  159.189   12.223  325.974   48.218  321.887   69.024  329.870   67.387  155.524   18.112  157.835   17.385 -2.311508 25.10567 
1 1 1    3   22   44 o  119.930   17.305  192.651   50.326   0.0000   0.0000  192.651   50.326  ?   ?   119.930   17.305 0.000000 17.30494 
1 1 1    3   23    0 o  121.089   10.448  185.797   31.285  188.140   47.815  184.043   41.368  120.619   16.291  119.796   14.098 0.8230743 21.54442 
1 1 1    3   23    1 o  188.832   11.030  450.193   51.783  494.420   84.836  423.930   65.375  196.341   17.486  182.490   14.464 13.85097 22.69297 
1 1 1    3   23    2 o  220.807   11.479  615.173   63.075  665.487  105.543  587.219   78.670  227.772   18.721  214.987   14.743 12.78516 23.82926 
1 1 1    3   23    3 o  427.907   16.836  2322.28  179.906  2431.06  309.661  2266.85  221.036  430.478   28.975  420.945   21.027 9.532898 35.80068 
1 1 1    3   23    4 o  315.602   17.025  1265.87  133.682  1332.97  186.254  1194.58  191.987  321.437   23.364  303.228   25.594 18.20901 34.65376 
1 1 1    3   23    5 o  294.519   12.719  1091.60   93.545  1121.77  159.515  1075.79  115.488  295.595   21.763  291.311   15.936 4.284424 26.97367 
1 1 1    3   23    6 o   49.455   12.447   31.952   15.361   34.302   21.565   29.531   21.886   51.831   15.478   48.990   15.757 2.841469 22.08743 
1 1 1    3   23    7 o   87.729   10.151   97.804   21.827  118.561   33.561   82.589   28.734   95.967   14.452   79.669   14.993 16.29837 20.82487 
1 1 1    3   23    8 o  292.748   12.773  1077.41   93.379  1116.04  159.988  1057.45  115.000  295.258   21.854  289.038   15.995 6.220428 27.08205 
1 1 1    3   23    9 o  605.463   40.697  4903.03  611.744   0.0000   0.0000  4903.03  611.744  ?   ?   605.463   40.697 0.000000 40.69692 
1 1 1    3   23   10 o  310.825   13.134  1214.55  101.946  1220.44  175.434  1211.55  125.267  308.641   22.926  309.466   16.267 -0.8255310 28.11043 
1 1 1    3   23   11 o  415.052   16.252  2173.08  168.447  2495.09  291.682  2011.95  206.331  440.226   26.658  397.542   20.857 42.68436 33.84796 
1 1 1    3   23   12 o  290.872   12.698  1062.97   92.232  1326.96  159.824  931.162  112.934  322.949   19.915  271.118   16.763 51.83115 26.03084 
1 1 1    3   23   13 o   80.827   9.7658   83.050   19.312  138.171   33.225   54.927   23.732  104.052   13.076   64.769   14.973 39.28274 19.87836 
1 1 1    3   23   14 o  135.254   11.873  231.397   39.697  215.943   55.400  247.705   56.910  129.598   17.571  139.133   16.714 -9.535095 24.25133 
1 1 1    3   23   15 o  316.322   13.316  1258.05  105.187  1312.16  182.705  1231.21  128.646  320.087   23.011  311.912   16.576 8.174652 28.35973 
1 1 1    3   23   16 o  196.477   10.318  485.379   50.449  497.808   88.410  479.377   61.433  197.577   18.121  194.907   12.691 2.669952 22.12304 
1 1 1    3   23   17 o  269.047   11.915  909.119   80.054  1037.78  139.400  845.809   97.786  285.374   19.682  258.601   15.209 26.77332 24.87352 
1 1 1    3   23   18 o  116.032   9.1787  169.754   26.378  205.297   46.801  153.206   31.934  126.743   15.083  109.818   11.832 16.92574 19.16991 
1 1 1    3   23   19 o  130.677   16.087  218.803   51.386   0.0000   0.0000  218.803   51.386  ?   ?   130.677   16.087 0.000000 16.08651 
1 1 1    3   23   20 o  178.145   10.274  399.499   45.511  453.517   79.065  372.733   55.656  188.594   16.970  171.609   13.086 16.98473 21.42958 
1 1 1    3   23   21 o  210.777   9.7515  557.268   51.327  703.955   89.314  484.937   62.718  235.640   15.260  195.872   12.894 39.76773 19.97846 
1 1 1    3   23   22 o  272.496   11.472  933.311   78.064  1086.45  135.224  856.765   95.604  291.857   18.651  260.109   14.780 31.74783 23.79730 
1 1 1    3   23   23 o  134.004   18.641  232.422   60.690   0.0000   0.0000  232.422   60.690  ?   ?   134.004   18.641 0.000000 18.64108 
1 1 1    3   23   24 o  347.401   25.264  1566.53  217.668  1566.53  217.668   0.0000   0.0000  347.401   25.264  ?   ?  0.000000 25.26365 
1 1 1    3   23   25 o  188.160   9.5716  445.445   44.826  562.138   76.691  384.891   55.245  210.425   14.687  174.325   12.780 36.10056 19.46851 
1 1 1    3   23   26 o  203.160   10.385  519.840   52.508  618.898   89.927  468.598   64.678  220.358   16.461  192.260   13.558 28.09798 21.32601 
1 1 1    3   23   43 o  176.196   18.175  413.166   78.821   0.0000   0.0000  413.166   78.821  ?   ?   176.196   18.175 0.000000 18.17502 
1 1 1    3   24    0 o  372.707   18.622  1783.75  173.315  1804.64  244.505  1762.65  245.710  368.722   26.736  363.989   27.230 4.732819 38.16111 
1 1 1    3   24    1 o  177.957   10.740  400.359   47.505  414.113   77.380  392.039   60.180  179.205   17.515  175.374   13.854 3.831650 22.33222 
1 1 1    3   24    2 o   88.639   10.624  100.289   23.047   97.245   33.641  102.981   31.638   86.083   16.245   88.986   14.755 -2.902267 21.94531 
1 1 1    3   24    3 o  321.088   13.695  1303.89  109.810  1343.59  187.548  1283.19  135.455  321.200   23.546  316.937   17.179 4.263031 29.14707 
1 1 1    3   24    4 o  134.194   10.050  227.564   33.434  240.018   53.248  219.458   42.957  136.656   15.901  131.176   13.298 5.479294 20.72839 
1 1 1    3   24    5 o  130.244   12.369  215.659   39.746  205.762   50.417  231.909   64.605  126.341   16.365  133.290   20.029 -6.949509 25.86427 
1 1 1    3   24    6 o  273.262   11.936  940.070   81.449  878.800  138.314  972.596  100.775  261.039   21.407  277.010   14.620 -15.97058 25.92278 
1 1 1    3   24    7 o  387.454   15.287  1898.66  147.905  1930.95  254.532  1882.19  181.737  384.949   26.642  384.463   18.929 0.4862976 32.68212 
1 1 1    3   24    8 o  161.243   10.242  327.728   41.024  359.459   68.406  309.906   51.266  167.679   16.553  156.271   13.262 11.40845 21.21050 
1 1 1    3   24    9 o  187.579   10.881  443.451   50.751  590.239   86.273  365.776   62.758  215.405   16.156  169.548   14.977 45.85634 22.03006 
1 1 1    3   24   10 f  346.859   25.238  1557.12  217.108   0.0000   0.0000  1557.12  217.108  ?   ?   346.859   25.238 0.000000 25.23825 
1 1 1    3   24   11 o  273.278   12.291  939.317   83.876  1109.76  144.773  853.201  102.906  294.707   19.787  259.328   15.968 35.37918 25.42625 
1 1 1    3   24   12 o  118.799   9.5896  178.129   28.206  304.389   48.409  113.232   34.706  155.044   12.612   93.513   15.398 61.53178 19.90441 
1 1 1    3   24   13 o  183.640   10.086  424.370   46.076  362.376   79.324  455.938   56.604  167.840   19.276  190.073   11.987 -22.23277 22.69888 
1 1 1    3   24   14 f  240.042   11.091  723.664   66.484  930.341  115.818  622.088   81.194  270.533   17.233  221.587   14.758 48.94571 22.68885 
1 1 1    3   24   15 o  357.852   17.621  1622.74  157.466  1845.18  223.114  1401.98  222.270  378.666   23.715  328.230   27.367 50.43619 36.21242 
1 1 1    3   24   16 o  141.458   9.6598  252.135   33.919  275.126   60.261  241.472   41.037  146.528   16.771  138.070   12.022 8.457596 20.63476 
1 1 1    3   24   17 o  380.584   15.021  1828.72  142.758  2027.02  248.179  1730.67  174.522  395.998   25.228  368.547   19.028 27.45059 31.59953 
1 1 1    3   24   18 o   99.376   9.8945  125.127   24.228   98.909   42.783  137.505   29.396   86.433   20.187  103.970   11.516 -17.53652 23.24037 
1 1 1    3   24   19 o  220.262   11.191  611.247   61.354  622.565  106.553  605.632   75.044  220.296   19.573  218.734   13.810 1.561859 23.95421 
1 1 1    3   24   20 o   34.058   12.898   10.431   15.064   0.0000   0.0000   10.431   15.064  ?   ?    34.058   12.898 0.000000 12.89809 
1 1 1    3   24   21 o  157.409   9.4773  312.011   37.080  380.992   64.144  277.391   45.441  172.989   14.997  147.917   12.417 25.07216 19.47030 
1 1 1    3   24   22 o   87.935   12.609   99.343   26.895   0.0000   0.0000   99.343   26.895  ?   ?    87.935   12.609 0.000000 12.60877 
1 1 1    3   24   23 o   43.066   14.826   21.358   19.308   17.040   23.234   30.997   34.711   42.641   16.048   54.231   19.757 -11.59022 25.45363 
1 1 1    3   24   24 o  144.606   9.3853  263.529   33.708  362.019   57.157  211.007   41.739  168.817   13.676  128.693   13.173 40.12387 18.98856 
1 1 1    3   24   25 o  159.600   12.885  323.211   50.915  351.009   68.459  288.803   76.164  165.474   16.800  148.774   21.091 16.70018 26.96478 
1 1 1    3   24   26 o   76.907   9.5638   75.384   17.971   95.558   28.992   62.797   22.901   85.908   13.996   69.346   13.710 16.56126 19.59264 
1 1 1    3   24   27 f  194.475   9.8932  476.250   47.887  576.652   81.549  423.409   59.161  212.825   15.450  182.751   13.049 30.07339 20.22325 
1 1 1    3   24   28 o  104.520   18.034  142.850   45.368   0.0000   0.0000  142.850   45.368  ?   ?   104.520   18.034 0.000000 18.03372 
1 1 1    3   25    0 o  278.328   12.488  981.225   86.794  945.445  145.883  1000.83  107.985  268.467   21.952  279.609   15.527 -11.14218 26.88830 
1 1 1    3   25    1 o  194.129   10.940  477.008   52.817  482.300   86.237  473.831   66.814  192.975   18.107  192.658   13.983 0.3160706 22.87783 
1 1 1    3   25    2 o   77.814   18.700   80.851   35.887   0.0000   0.0000   80.851   35.887  ?   ?    77.814   18.700 0.000000 18.70036 
1 1 1    3   25    3 o  196.367   10.905  487.569   53.263  497.793   87.900  481.636   66.956  196.291   18.138  194.412   13.883 1.878876 22.84080 
1 1 1    3   25    4 o  156.385   10.430  309.272   40.500  334.908   65.641  293.514   51.463  161.284   16.531  151.619   13.741 9.664673 21.49686 
1 1 1    3   25    5 o  187.540   10.338  443.938   48.229  396.325   79.459  471.711   60.686  175.071   18.453  192.823   12.674 -17.75215 22.38612 
1 1 1    3   25    6 o  256.277   14.883  835.583   94.840  840.588  130.774  830.031  137.744  254.850   20.728  252.653   22.053 2.196426 30.26571 
1 1 1    3   25    7 o  145.689   10.242  268.191   37.025  286.413   60.330  257.182   46.894  149.234   16.463  142.053   13.377 7.181396 21.21260 
1 1 1    3   25    8 o  114.159   9.9737  165.000   28.147  182.469   45.177  153.917   35.985  118.986   15.579  109.595   13.429 9.390839 20.56820 
1 1 1    3   25    9 o   65.553   11.375   55.615   17.945   62.165   27.607   50.822   23.615   68.638   16.341   62.129   15.318 6.509422 22.39844 
1 1 1    3   25   10 o  301.849   12.890  1149.20   97.161  1182.65  167.133  1132.13  119.413  302.455   22.285  298.351   16.087 4.103760 27.48524 
1 1 1    3   25   11 o  141.994   10.204  254.592   35.941  353.245   60.956  202.019   44.498  166.480   14.817  125.623   14.448 40.85680 20.69526 
1 1 1    3   25   12 o  233.798   19.820  702.837  114.624   0.0000   0.0000  702.837  114.624  ?   ?   233.798   19.820 0.000000 19.81951 
1 1 1    3   25   13 o  142.756   9.5086  256.903   33.703  415.382   58.764  179.218   41.142  181.042   13.086  118.298   14.212 62.74384 19.31890 
1 1 1    3   25   14 o  224.877   10.884  635.713   61.121  625.713  106.118  640.678   74.768  220.669   19.457  224.982   13.368 -4.313293 23.60650 
1 1 1    3   25   15 o  445.036   16.990  2513.97  188.811  2892.53  328.015  2326.38  230.899  470.056   28.073  425.356   21.811 44.69934 35.54997 
1 1 1    3   25   16 o  173.589   12.350  381.413   53.184  478.718   75.851  287.311   74.592  193.798   15.811  148.559   20.667 45.23897 26.02117 
1 1 1    3   25   17 o  345.503   13.869  1507.16  119.660  1796.13  208.447  1365.13  146.138  373.217   22.470  327.135   17.958 46.08209 28.76451 
1 1 1    3   25   18 o  293.289   12.575  1084.01   92.096  1254.31  160.592  1000.56  112.419  312.403   20.703  280.504   16.117 31.89966 26.23642 
1 1 1    3   25   19 o  193.926   9.8284  473.455   47.440  668.564   83.484  380.404   57.653  229.489   14.644  173.113   13.442 56.37604 19.87805 
1 1 1    3   25   20 o   59.497   10.925   45.897   15.634   59.843   29.152   40.267   18.523   67.358   17.254   55.394   13.511 11.96439 21.91482 
1 1 1    3   25   21 o  191.353   10.712  461.802   50.981  479.096   88.687  453.266   62.304  193.008   18.632  189.064   13.281 3.944351 22.88101 
1 1 1    3   25   22 o   52.103   14.830   35.216   20.221   0.0000   0.0000   35.216   20.221  ?   ?    52.103   14.830 0.000000 14.83029 
1 1 1    3   25   23 o  118.078   8.9457  175.939   26.182  277.597   45.244  124.758   32.103  147.901   12.363   98.537   13.394 49.36423 18.22744 
1 1 1    3   25   24 o  178.469   10.045  401.463   44.584  447.816   76.255  377.389   54.955  187.100   16.490  172.497   12.850 14.60298 20.90527 
1 1 1    3   25   25 o  316.053   12.578  1259.73   99.271  1356.31  171.112  1210.74  121.879  324.340   21.244  308.552   15.872 15.78812 26.51822 
1 1 1    3   25   26 o  186.036   13.080  438.928   60.378  439.186   81.397  438.611   90.028  184.870   17.854  184.123   19.897 0.7467346 26.73263 
1 1 1    3   25   27 o  360.890   14.408  1647.88  129.846  1940.36  224.283  1500.43  159.248  386.879   23.324  342.354   18.698 44.52536 29.89365 
1 1 1    3   25   28 o   88.419   8.5668   98.981   18.678  101.446   29.446   97.322   24.161   88.593   13.756   87.208   11.364 1.384933 17.84334 
1 1 1    3   25   29 o  120.654   17.772  189.171   51.943   0.0000   0.0000  189.171   51.943  ?   ?   120.654   17.772 0.000000 17.77218 
1 1 1    3   26    0 o  138.579   10.719  244.008   36.805  253.335   57.076  237.369   48.154  139.545   16.712  135.719   14.430 3.825073 22.07909 
1 1 1    3   26    1 o  105.595   11.645  142.730   30.197  197.729   45.721  100.177   40.216  123.591   15.130   86.432   19.138 37.15865 24.39631 
1 1 1    3   26    2 o   68.626   12.602   61.497   20.801   71.371   29.295   51.457   29.540   73.284   16.415   62.480   17.971 10.80458 24.33945 
1 1 1    3   26    3 o  285.397   22.736  1071.02  160.696   0.0000   0.0000  1071.02  160.696  ?   ?   285.397   22.736 0.000000 22.73650 
1 1 1    3   26    4 o  139.761   10.676  247.743   36.979  286.590   59.286  223.006   47.309  148.965   16.199  131.635   14.640 17.33014 21.83408 
1 1 1    3   26    5 o  410.110   16.180  2147.00  165.699  2084.74  284.671  2178.90  203.777  393.710   29.162  410.874   19.861 -17.16397 35.28269 
1 1 1    3   26    6 o  413.096   16.459  2178.31  169.783  2197.84  292.208  2168.36  208.609  404.823   29.099  409.765   20.387 -4.941620 35.53019 
1 1 1    3   26    7 o  316.652   13.873  1271.15  109.700  1607.23  188.859  1100.01  134.765  351.708   21.608  292.292   18.560 59.41623 28.48433 
1 1 1    3   26    8 o   77.088   14.076   77.586   26.098   82.766   31.950   67.200   45.241   79.147   16.691   72.074   22.594 7.073013 28.09047 
1 1 1    3   26    9 o  147.703   9.7652  275.508   35.815  268.567   59.325  279.488   44.926  144.242   16.784  148.298   12.241 -4.055771 20.77338 
1 1 1    3   26   10 o  156.448   10.012  309.060   38.911  318.746   65.494  303.776   48.374  157.293   16.941  154.586   12.642 2.706955 21.13816 
1 1 1    3   26   11 o   90.321   10.272  103.913   22.756  146.189   37.993   80.262   28.417  106.440   14.685   78.279   15.084 28.16109 21.05187 
1 1 1    3   26   12 o  297.693   12.986  1119.48   96.539  1249.99  167.045  1054.03  118.294  310.699   21.666  287.375   16.554 23.32455 27.26591 
1 1 1    3   26   13 f   98.953   16.737  127.828   39.883   0.0000   0.0000  127.828   39.883  ?   ?    98.953   16.737 0.000000 16.73702 
1 1 1    3   26   14 o  229.381   11.154  662.472   63.890  850.383  111.545  570.727   77.941  257.791   17.430  211.735   14.835 46.05582 22.88798 
1 1 1    3   26   15 o  129.405   9.7166  211.569   31.170  211.594   55.205  211.558   37.766  127.685   17.798  129.034   11.853 -1.348831 21.38333 
1 1 1    3   26   16 o   92.564   12.412  109.944   27.968   0.0000   0.0000  109.944   27.968  ?   ?    92.564   12.412 0.000000 12.41224 
1 1 1    3   26   17 o  601.600   22.136  4666.09  332.547  5251.38  577.421  4375.61  406.781  619.389   37.509  576.897   28.237 42.49213 46.94889 
1 1 1    3   26   18 o  163.762   12.398  340.135   50.324  409.906   71.808  272.793   70.547  178.930   16.248  144.623   20.076 34.30643 25.82688 
1 1 1    3   26   19 o  263.079   11.974  872.396   78.666  929.122  136.728  844.327   96.179  268.323   20.562  257.702   15.011 10.62137 25.45807 
1 1 1    3   26   20 o   43.743   12.293   24.790   13.986   69.011   26.929   8.4559   16.367   72.450   15.361   33.814   13.274 38.63612 20.30157 
1 1 1    3   26   21 o  113.714   9.6138  163.585   27.044  249.105   47.855  123.459   32.780  139.686   13.904   97.895   13.791 41.79105 19.58354 
1 1 1    3   26   22 o  116.358   17.841  176.354   50.187  176.354   50.187   0.0000   0.0000  116.358   17.841  ?   ?  0.000000 17.84109 
1 1 1    3   26   23 o  226.426   19.323  660.542  108.213   0.0000   0.0000  660.542  108.213  ?   ?   226.426   19.323 0.000000 19.32314 
1 1 1    3   26   24 o  108.215   8.9104  147.977   23.865  179.806   40.728  131.335   29.450  118.424   14.046  101.413   11.853 17.01096 18.37869 
1 1 1    3   26   25 o   99.111   7.8210  123.913   19.200  247.957   33.736   64.488   23.350  140.149   9.6990   70.235   13.805 69.91360 16.87191 
1 1 1    3   26   26 o  213.761   10.955  576.619   58.281  661.219   99.014  531.768   72.093  227.125   17.595  204.511   14.205 22.61360 22.61304 
1 1 1    3   26   27 o   88.668   12.967  101.296   27.863   81.558   32.957  150.766   52.174   78.557   17.270  106.764   20.312 -28.20716 26.66149 
1 1 1    3   26   28 o  125.148   8.8827  197.570   27.580  252.158   44.715  164.053   35.038  140.758   12.863  113.345   12.592 27.41380 18.00063 
1 1 1    3   26   29 o  179.160   10.077  404.793   44.902  480.329   75.405  363.294   55.891  193.914   15.707  169.048   13.348 24.86559 20.61275 
1 1 1    3   26   30 o  235.745   13.916  705.495   81.559   0.0000   0.0000  705.495   81.559  ?   ?   235.745   13.916 0.000000 13.91574 
1 1 1    3   27    0 o  203.624   14.090  531.620   71.203  519.324   92.565  549.438  111.432  199.222   18.829  203.127   22.337 -3.904999 29.21446 
1 1 1    3   27    1 o  275.330   13.055  964.120   89.763  1061.77  151.156  910.924  111.564  283.862   21.483  265.503   16.915 18.35913 27.34306 
1 1 1    3   27    2 o   57.919   13.608   44.373   19.348   50.116   26.701   38.024   28.075   61.454   16.881   54.979   17.862 6.475033 24.57715 
1 1 1    3   27    3 o  127.121   10.754  205.552   33.818  234.026   52.793  185.737   44.040  134.272   16.064  119.714   15.065 14.55807 22.02284 
1 1 1    3   27    4 o  170.340   10.567  367.638   44.729  357.726   72.564  373.712   56.804  165.832   17.801  170.997   13.410 -5.165482 22.28713 
1 1 1    3   27    5 o  266.030   21.792  928.947  143.497   0.0000   0.0000  928.947  143.497  ?   ?   266.030   21.792 0.000000 21.79162 
1 1 1    3   27    6 o  160.028   11.181  324.965   44.400  489.862   73.754  231.237   55.605  195.434   15.233  133.300   17.099 62.13472 22.89975 
1 1 1    3   27    7 f  232.380   12.357  685.316   71.450  1052.22  122.384  495.592   88.006  286.047   17.213  195.566   18.231 90.48103 25.07302 
1 1 1    3   27    8 o  296.042   12.616  1109.42   93.263  1034.73  159.216  1148.44  115.071  280.730   22.911  299.823   15.421 -19.09241 27.61797 
1 1 1    3   27    9 o  388.059   19.038  1937.93  184.485  1861.29  259.104  2016.73  262.735  373.059   28.018  389.114   27.210 -16.05591 39.05611 
1 1 1    3   27   10 o  224.733   11.334  638.844   63.399  717.074  108.291  598.048   78.202  235.658   18.552  216.511   14.548 19.14691 23.57596 
1 1 1    3   27   11 o  195.046   10.681  480.758   51.827  540.815   88.868  449.804   63.800  204.903   17.537  187.913   13.690 16.99031 22.24775 
1 1 1    3   27   12 o  160.089   10.163  323.867   40.419  452.233   69.880  259.331   49.548  188.085   15.003  142.335   14.127 45.74976 20.60715 
1 1 1    3   27   13 o  105.958   9.8424  142.420   25.745  221.960   44.819  103.248   31.452  131.665   13.838   89.088   14.647 42.57663 20.15028 
1 1 1    3   27   14 o  151.427   10.054  289.748   37.803  315.844   66.228  277.136   46.040  156.403   17.243  147.571   12.615 8.832275 21.36513 
1 1 1    3   27   15 o  216.564   19.195  606.082  102.732   0.0000   0.0000  606.082  102.732  ?   ?   216.564   19.195 0.000000 19.19526 
1 1 1    3   27   16 o  253.249   11.620  808.821   73.487  997.924  128.768  717.484   89.492  278.568   18.618  237.230   15.186 41.33783 24.02606 
1 1 1    3   27   17 o  273.516   11.935  943.882   81.520  1158.03  142.834  840.427   99.277  299.950   19.169  256.717   15.560 43.23370 24.68941 
1 1 1    3   27   18 o  149.622   9.4223  282.424   35.025  384.402   63.064  236.937   42.118  173.507   14.693  136.425   12.502 37.08171 19.29216 
1 1 1    3   27   19 o  290.819   15.717  1077.93  113.717  1242.31  161.172  914.976  160.471  309.883   20.951  263.949   24.630 45.93396 32.33570 
1 1 1    3   27   20 f  247.076   14.763  776.869   90.670   0.0000   0.0000  776.869   90.670  ?   ?   247.076   14.763 0.000000 14.76295 
1 1 1    3   27   21 o  164.108   18.117  348.072   73.007  348.072   73.007   0.0000   0.0000  164.108   18.117  ?   ?  0.000000 18.11696 
1 1 1    3   27   22 o  117.110   9.0371  173.253   26.224  272.205   45.703  124.683   32.020  146.288   12.635   98.432   13.373 47.85550 18.39746 
1 1 1    3   27   23 o   89.222   10.148  101.394   22.207  153.653   38.872   76.074   27.058  109.173   14.626   76.218   14.749 32.95487 20.77187 
1 1 1    3   27   24 o  172.393   13.286  377.902   56.756   0.0000   0.0000  377.902   56.756  ?   ?   172.393   13.286 0.000000 13.28635 
1 1 1    3   27   25 o  217.291   10.297  593.992   55.876  722.548   95.512  527.102   68.895  237.827   16.178  203.681   13.624 34.14629 21.15063 
1 1 1    3   27   26 o  253.289   11.061  808.014   69.960  898.164  119.316  760.784   86.363  264.535   18.172  244.701   14.194 19.83403 23.05870 
1 1 1    3   27   27 o  120.391   9.3617  183.180   27.924  241.794   45.779  148.452   35.238  137.636   13.493  107.553   13.411 30.08284 19.02434 
1 1 1    3   27   28 o  130.294   13.667  217.046   43.805  242.706   54.869  171.945   72.743  137.209   16.335  112.485   26.358 24.72375 31.00896 
1 1 1    3   27   29 o  140.777   9.4828  250.157   33.142  369.102   53.820  177.500   42.064  170.483   12.734  117.459   14.660 53.02457 19.41816 
1 1 1    3   27   30 o  368.779   14.968  1725.82  137.845  2113.22  237.858  1529.92  169.144  402.569   23.766  344.665   19.734 57.90341 30.89107 
1 1 1    3   27   31 o  295.152   23.120  1136.87  169.044   0.0000   0.0000  1136.87  169.044  ?   ?   295.152   23.120 0.000000 23.12014 
1 1 1    3   28    0 o  281.524   12.812  1009.70   90.071  977.583  150.230  1027.72  112.543  270.757   22.421  282.023   16.047 -11.26605 27.57135 
1 1 1    3   28    1 o  297.197   17.772  1147.97  131.290  1312.08  180.605  964.067  191.190  313.530   23.233  263.325   29.587 50.20505 37.61878 
1 1 1    3   28    2 o  205.807   11.636  538.734   59.557  569.059   97.328  520.582   75.301  208.490   18.899  201.040   15.110 7.450043 24.19692 
1 1 1    3   28    3 o  305.261   13.681  1187.81  104.289  1274.78  177.122  1141.67  129.026  309.752   23.064  296.897   17.480 12.85449 28.93940 
1 1 1    3   28    4 o  172.385   10.794  377.136   46.232  395.734   75.249  365.858   58.595  174.366   17.519  168.843   14.024 5.522858 22.44065 
1 1 1    3   28    5 o  119.759   10.382  182.416   30.742  168.098   48.027  192.354   40.013  113.001   17.592  122.303   13.317 -9.301651 22.06383 
1 1 1    3   28    6 o   63.258   18.712   52.674   31.630   0.0000   0.0000   52.674   31.630  ?   ?    63.258   18.712 0.000000 18.71183 
1 1 1    3   28    7 o  117.963   10.713  177.114   31.213  203.178   50.230  160.718   39.838  124.896   16.510  111.373   14.682 13.52205 22.09366 
1 1 1    3   28    8 o  280.736   12.910  999.857   90.507  1178.40  155.276  907.984  111.386  300.361   20.831  265.551   16.885 34.81046 26.81429 
1 1 1    3   28    9 o  201.860   11.166  516.233   56.066  615.283   95.322  463.843   69.325  218.171   17.647  190.287   14.703 27.88370 22.96988 
1 1 1    3   28   10 o  251.095   12.088  797.751   75.798  1032.92  130.637  678.403   93.066  282.621   18.614  229.773   16.326 52.84799 24.75947 
1 1 1    3   28   11 o  167.880   13.557  359.880   56.350  519.696   78.204  187.298   81.267  201.245   15.685  116.235   28.270 85.01032 32.32986 
1 1 1    3   28   12 o  182.418   10.543  420.878   47.821  446.560   82.190  407.734   58.799  185.730   17.944  178.870   13.258 6.859619 22.31104 
1 1 1    3   28   13 o  249.532   11.800  786.727   73.529  966.924  127.814  697.592   89.894  273.570   18.824  233.493   15.505 40.07698 24.38765 
1 1 1    3   28   14 o  469.084   18.087  2823.05  211.874  3106.87  367.715  2682.00  259.231  479.190   30.894  452.992   22.992 26.19730 38.51044 
1 1 1    3   28   15 o  319.926   13.312  1296.72  106.352  1698.16  185.856  1101.28  129.683  361.927   20.649  292.659   17.830 69.26773 27.28190 
1 1 1    3   28   16 o  116.921   16.758  177.873   47.529   0.0000   0.0000  177.873   47.529  ?   ?   116.921   16.758 0.000000 16.75761 
1 1 1    3   28   17 o  130.567   9.8239  215.697   31.796  263.000   57.773  195.143   38.083  142.685   16.520  123.632   12.507 19.05296 20.72031 
1 1 1    3   28   18 o  136.202   9.6130  234.467   32.486  292.970   59.155  209.204   38.872  150.871   15.943  128.104   12.303 22.76744 20.13776 
1 1 1    3   28   19 o  254.691   14.815  826.578   93.817   0.0000   0.0000  826.578   93.817  ?   ?   254.691   14.815 0.000000 14.81485 
1 1 1    3   28   20 o  173.630   9.9221  380.523   42.842  554.802   75.855  298.890   51.915  208.559   14.658  153.006   13.734 55.55336 20.08651 
1 1 1    3   28   21 o  170.903   13.351  371.883   56.526  417.537   77.965  321.293   82.072  179.928   17.577  156.296   21.606 23.63214 27.85211 
1 1 1    3   28   22 o  145.495   9.7589  267.422   35.251  334.888   61.145  233.834   43.143  161.628   15.333  135.390   12.917 26.23822 20.04872 
1 1 1    3   28   23 o  124.227   9.5071  195.132   29.269  287.280   50.530  148.604   35.906  150.029   13.636  107.500   13.686 42.52936 19.31946 
1 1 1    3   28   24 o  227.423   10.898  651.614   61.892  826.259  106.961  563.705   75.887  253.954   16.964  210.319   14.538 43.63516 22.34131 
1 1 1    3   28   25 o  214.363   10.399  578.440   55.665  736.977   95.029  495.626   68.682  240.156   15.936  197.296   14.032 42.86028 21.23331 
1 1 1    3   28   26 o  200.551   18.352  518.905   90.888   0.0000   0.0000  518.905   90.888  ?   ?   200.551   18.352 0.000000 18.35159 
1 1 1    3   28   27 o   84.100   10.297   90.316   21.172  118.906   35.250   74.180   26.482   95.620   15.277   75.237   14.622 20.38309 21.14636 
1 1 1    3   28   28 o  145.793   10.005  268.648   36.206  358.376   59.218  215.084   45.753  167.539   14.291  129.471   14.395 38.06767 20.28413 
1 1 1    3   28   29 o   94.413   10.010  113.384   23.241  131.890   36.718  101.015   30.020  100.857   15.038   88.226   14.101 12.63162 20.61519 
1 1 1    3   28   30 o  287.981   12.750  1048.64   91.691  1285.76  156.447  924.571  113.163  315.459   19.963  268.624   16.957 46.83493 26.19246 
1 1 1    3   28   31 o  269.375   12.582  917.457   84.638  1282.69  144.818  727.987  104.307  315.763   18.446  237.907   17.684 77.85628 25.55322 
1 1 1    3   28   32 o  130.278   18.981  222.328   59.937   0.0000   0.0000  222.328   59.937  ?   ?   130.278   18.981 0.000000 18.98145 
1 1 1    3   29    0 o   89.156   13.222  103.678   28.546  147.061   40.968   62.739   39.798  105.595   16.041   68.507   21.145 37.08770 26.54124 
1 1 1    3   29    1 o  284.685   13.131  1035.07   93.352  1064.65  156.312  1018.66  116.386  282.085   22.374  280.044   16.719 2.041016 27.93058 
1 1 1    3   29    2 o  275.392   12.530  965.868   86.171  889.044  143.574  1009.12  107.732  257.852   22.524  279.663   15.487 -21.81146 27.33392 
1 1 1    3   29    3 o  257.409   15.166  853.325   97.058  823.679  131.569  888.720  143.761  249.214   21.347  258.079   22.533 -8.865051 31.03928 
1 1 1    3   29    4 o  100.132   11.365  128.656   27.916  117.861   42.002  137.198   37.362   93.771   18.594  102.460   15.051 -8.688789 23.92200 
1 1 1    3   29    5 o  205.313   11.796  536.399   60.223  658.071  100.653  468.554   75.160  224.751   18.087  190.346   15.960 34.40555 24.12151 
1 1 1    3   29    6 o  155.955   10.606  308.850   41.059  314.870   66.482  305.138   52.206  155.320   17.442  154.155   13.705 1.165146 22.18200 
1 1 1    3   29    7 o  172.334   10.635  376.735   45.545  361.710   75.267  385.415   57.208  166.266   18.439  173.557   13.301 -7.291550 22.73525 
1 1 1    3   29    8 o  207.680   19.386  564.100   99.379   0.0000   0.0000  564.100   99.379  ?   ?   207.680   19.386 0.000000 19.38649 
1 1 1    3   29    9 o  177.346   10.748  398.768   47.374  465.582   79.864  362.496   58.844  189.592   17.051  168.108   14.149 21.48331 22.15698 
1 1 1    3   29   10 o  208.870   11.013  552.816   57.237  516.929   97.464  571.708   70.716  198.688   19.912  211.667   13.448 -12.97888 24.02767 
1 1 1    3   29   11 o  320.015   13.722  1302.26  109.654  1303.20  189.186  1301.79  134.563  313.298   24.373  318.003   17.007 -4.705353 29.72002 
1 1 1    3   29   12 o  139.729   13.502  250.206   46.525  445.673   64.549   38.865   67.119  186.706   13.945   67.679   26.780 119.0264 30.19353 
1 1 1    3   29   13 o   88.569   11.049  100.546   23.905  139.629   42.348   82.266   28.961  103.101   17.044   79.055   15.222 24.04605 22.85176 
1 1 1    3   29   14 o  349.240   14.579  1552.67  127.144  1735.28  220.971  1462.29  155.456  362.172   24.578  336.458   18.574 25.71426 30.80720 
1 1 1    3   29   15 o  232.948   11.303  685.366   65.752  953.919  115.728  557.350   79.901  272.335   17.104  208.504   15.456 63.83086 23.05259 
1 1 1    3   29   16 o  300.113   12.501  1140.19   93.688  1654.10  164.868  895.094  113.858  358.138   18.498  263.702   17.388 94.43567 25.38711 
1 1 1    3   29   17 o  326.750   13.758  1355.12  112.262  1460.00  195.924  1303.86  136.977  333.150   23.705  318.585   17.282 14.56409 29.33605 
1 1 1    3   29   18 o  398.147   28.884  2130.10  285.222   0.0000   0.0000  2130.10  285.222  ?   ?   398.147   28.884 0.000000 28.88375 
1 1 1    3   29   19 o  346.363   13.889  1522.47  120.133  1936.17  210.015  1321.28  146.460  385.451   21.909  320.245   18.391 65.20587 28.60518 
1 1 1    3   29   20 o  181.176   10.214  414.718   46.023  563.536   81.467  344.960   55.777  209.746   15.667  164.379   13.713 45.36765 20.82078 
1 1 1    3   29   21 o  153.723   10.114  298.810   38.607  365.197   68.342  267.696   46.788  168.390   16.463  144.834   13.077 23.55600 21.02506 
1 1 1    3   29   22 o  307.190   16.795  1208.88  128.349  1268.99  179.788  1146.40  183.290  311.172   23.306  294.536   25.161 16.63583 34.29705 
1 1 1    3   29   23 o  100.734   10.185  129.040   25.268  218.600   44.741   87.095   30.619  130.580   13.936   81.413   15.629 49.16696 20.93976 
1 1 1    3   29   24 o  168.916   10.094  360.450   42.383  458.521   72.904  310.384   52.089  189.177   15.570  155.957   13.508 33.22031 20.61350 
1 1 1    3   29   25 o  255.468   11.693  823.905   74.593  1071.66  128.645  698.415   91.556  288.718   17.932  233.662   15.783 55.05573 23.88848 
1 1 1    3   29   26 o  150.026   8.6954  283.682   32.437  412.368   55.505  216.941   39.973  180.200   12.410  130.432   12.422 49.76762 17.55946 
1 1 1    3   29   27 o  195.338   18.257  493.220   88.026   0.0000   0.0000  493.220   88.026  ?   ?   195.338   18.257 0.000000 18.25733 
1 1 1    3   29   28 o  141.693   9.9573  253.928   35.009  366.638   57.657  188.109   44.060  169.522   13.738  120.780   14.926 48.74183 20.28592 
1 1 1    3   29   29 o  164.703   9.7534  342.546   39.937  421.899   64.496  293.201   50.860  181.744   14.327  151.504   13.588 30.23979 19.74562 
1 1 1    3   29   30 o   96.587   9.2486  118.376   22.034  270.470   34.959   18.128   28.382  146.299   9.6227   45.682   17.605 100.6172 20.06357 
1 1 1    3   29   31 o  270.706   12.955  928.414   87.577  1213.57  148.883  777.545  108.294  306.112   19.579  245.588   17.778 60.52362 26.44661 
1 1 1    3   29   32 o  115.175   9.7823  168.249   27.869  181.708   43.046  158.537   36.567  118.575   14.864  110.993   13.469 7.581940 20.05899 
1 1 1    3   29   33 o   83.734   21.887   94.932   46.278   0.0000   0.0000   94.932   46.278  ?   ?    83.734   21.887 0.000000 21.88726 
1 1 1    3   30    0 o  130.886   19.662  230.981   62.279   0.0000   0.0000  230.981   62.279  ?   ?   130.886   19.662 0.000000 19.66237 
1 1 1    3   30    1 o   43.495   15.236   22.017   20.433   3.6257   27.397   45.066   30.672   39.001   16.447   58.742   18.628 -19.74111 24.85002 
1 1 1    3   30    2 o  275.702   12.412  970.027   85.455  870.282  142.022  1026.64  106.991  254.075   22.621  281.709   15.266 -27.63380 27.29011 
1 1 1    3   30    3 o  352.375   14.592  1595.66  128.406  1480.54  218.053  1656.77  158.874  327.706   26.882  356.112   17.923 -28.40573 32.30938 
1 1 1    3   30    4 o  220.993   14.477  629.057   79.449  611.029  105.685  652.486  120.480  214.896   19.920  220.680   22.162 -5.782959 29.79901 
1 1 1    3   30    5 o  170.160   11.133  368.698   47.044  426.596   76.445  333.405   59.684  180.783   17.138  160.467   15.071 20.31564 22.82188 
1 1 1    3   30    6 f  134.702   10.806  231.202   36.044  225.183   57.141  235.180   46.451  130.654   17.990  134.964   13.985 -4.309097 22.78705 
1 1 1    3   30    7 o  314.914   13.771  1266.12  108.295  1329.92  185.023  1232.87  133.564  315.333   23.669  308.287   17.421 7.046051 29.38910 
1 1 1    3   30    8 o   97.810   11.440  122.818   27.414  130.777   43.557  117.597   35.277   99.044   18.284   94.629   15.463 4.415665 23.94598 
1 1 1    3   30    9 o  380.049   19.270  1882.65  182.281  1852.86  258.122  1912.28  257.447  368.266   28.284  374.797   27.703 -6.531250 39.59116 
1 1 1    3   30   10 f  264.623   15.740  900.846  103.545   0.0000   0.0000  900.846  103.545  ?   ?   264.623   15.740 0.000000 15.74039 
1 1 1    3   30   11 o  114.407   10.633  166.761   30.030  292.563   51.433  101.692   36.990  150.962   13.796   87.383   17.561 63.57855 22.33174 
1 1 1    3   30   12 o  280.920   12.715  1001.89   89.195  1224.60  154.605  890.786  109.200  306.075   20.344  262.823   16.725 43.25125 26.33619 
1 1 1    3   30   13 o  149.576   10.584  283.889   39.278  430.053   69.000  213.823   47.773  182.850   15.250  128.540   15.176 54.30991 21.51459 
1 1 1    3   30   14 o  128.495   13.557  212.112   42.843  279.201   59.907  141.873   61.297  146.665   16.652  101.711   24.438 44.95350 29.57215 
1 1 1    3   30   15 o  150.209   10.287  285.914   38.352  436.904   68.983  218.364   46.141  184.441   15.110  130.180   14.437 54.26173 20.89802 
1 1 1    3   30   16 o  209.563   11.145  556.374   58.116  755.521  103.834  465.528   70.130  241.979   17.298  190.546   14.856 51.43272 22.80140 
1 1 1    3   30   17 o  440.159   17.059  2485.36  187.506  2826.02  326.510  2317.73  229.039  457.604   28.719  420.978   21.862 36.62656 36.09319 
1 1 1    3   30   18 o  435.642   16.925  2432.61  184.126  2708.67  320.940  2297.16  224.802  448.085   28.835  419.521   21.531 28.56461 35.98680 
1 1 1    3   30   19 o   97.914   17.705  126.602   41.696   0.0000   0.0000  126.602   41.696  ?   ?    97.914   17.705 0.000000 17.70463 
1 1 1    3   30   20 f   97.762   10.810  122.014   25.948  201.445   48.919   90.915   30.609  124.611   16.097   83.220   15.293 41.39108 22.20310 
1 1 1    3   30   21 o   93.840   11.212  112.709   25.754  173.291   47.788   87.910   30.574  115.152   17.141   81.751   15.545 33.40144 23.13995 
1 1 1    3   30   22 o  165.748   10.559  347.763   43.475  401.587   76.477  322.065   52.844  176.129   17.625  158.797   13.453 17.33209 22.17196 
1 1 1    3   30   23 o  249.116   11.806  784.368   73.446  925.607  127.046  713.470   90.012  267.369   19.155  236.141   15.348 31.22853 24.54524 
1 1 1    3   30   24 f  215.212   14.802  592.016   79.064  656.754  107.819  516.712  116.286  224.921   19.386  197.232   24.112 27.68884 30.93873 
1 1 1    3   30   25 o  132.663   10.613  223.288   34.863  303.823   59.927  182.086   42.863  153.546   15.857  118.772   14.771 34.77428 21.67100 
1 1 1    3   30   26 o  111.440   10.452  157.883   28.746  220.393   49.407  125.894   35.344  130.647   15.442   98.434   14.840 32.21354 21.41689 
1 1 1    3   30   27 o  341.760   12.312  1477.86  105.074  1718.69  180.203  1353.81  129.337  364.224   19.888  325.668   15.904 38.55588 25.46475 
1 1 1    3   30   28 o   35.532   13.497   11.421   16.527   0.0000   0.0000   11.421   16.527  ?   ?    35.532   13.497 0.000000 13.49718 
1 1 1    3   30   29 o  178.884   10.931  405.342   48.595  488.103   79.326  355.626   61.482  194.685   16.471  166.452   14.951 28.23230 22.24475 
1 1 1    3   30   30 o  262.204   11.434  868.952   74.869  1033.75  125.205  777.227   93.409  283.049   17.805  246.377   15.257 36.67160 23.44753 
1 1 1    3   30   31 f  111.896   10.213  159.199   28.224  247.679   43.469   94.711   37.111  139.212   12.642   84.223   18.178 54.98832 22.14167 
1 1 1    3   30   32 o  157.762   13.870  319.234   54.088  341.602   67.803  280.089   89.695  162.193   16.993  143.014   26.076 19.17825 31.12418 
1 1 1    3   30   33 o  135.503   11.200  233.968   37.558  347.670   60.417  162.354   47.949  164.230   14.894  110.803   17.942 53.42641 23.31868 
1 1 1    3   31    0 o   48.414   15.978   29.717   22.433   30.643   29.752   28.498   34.149   51.081   18.336   51.663   19.454 -0.5817337 26.73290 
1 1 1    3   31    1 o  103.059   12.574  138.146   31.690  146.447   45.888  130.578   43.816  103.970   18.345   97.946   18.594 6.024597 26.12046 
1 1 1    3   31    2 o  129.111   19.767  225.592   61.704   0.0000   0.0000  225.592   61.704  ?   ?   129.111   19.767 0.000000 19.76735 
1 1 1    3   31    3 o  225.846   11.916  652.698   66.963  611.443  109.484  677.355   84.641  213.368   20.813  228.533   14.913 -15.16493 25.60436 
1 1 1    3   31    4 o   50.601   15.511   33.313   21.458   13.880   30.376   52.668   30.316   44.534   17.885   62.673   18.257 -18.13916 25.55733 
1 1 1    3   31    5 o  125.006   11.359  200.242   35.072  210.890   54.622  192.773   45.748  126.053   17.852  121.330   15.450 4.723366 23.60885 
1 1 1    3   31    6 o  157.274   14.274  319.851   55.448  355.005   72.088  268.923   86.766  164.215   17.868  138.735   26.000 25.48074 31.54752 
1 1 1    3   31    7 o  155.564   10.767  308.190   41.568  287.462   67.510  320.847   52.754  147.316   18.778  157.868   13.512 -10.55212 23.13444 
1 1 1    3   31    8 o  246.136   11.851  770.026   72.843  705.261  123.234  804.806   90.309  229.992   21.714  250.145   14.520 -20.15239 26.12116 
1 1 1    3   31    9 o  158.665   10.851  320.329   42.735  356.273   71.645  300.478   53.243  164.929   17.671  152.651   14.128 12.27795 22.62385 
1 1 1    3   31   10 o  233.836   11.794  695.812   68.646  815.509  117.784  634.240   84.476  249.547   19.045  221.775   15.348 27.77277 24.45936 
1 1 1    3   31   11 o  179.649   18.642  423.229   82.415   0.0000   0.0000  423.229   82.415  ?   ?   179.649   18.642 0.000000 18.64244 
1 1 1    3   31   12 f  268.497   12.481  916.099   83.685  995.790  144.822  876.150  102.537  274.710   21.277  260.766   15.821 13.94403 26.51458 
1 1 1    3   31   13 o  135.029   10.890  232.091   36.408  319.045   64.172  190.817   44.212  156.650   16.660  121.290   14.911 35.36008 22.35862 
1 1 1    3   31   14 o  151.121   10.685  290.072   40.062  373.187   71.288  251.706   48.434  169.439   17.081  139.829   14.062 29.61055 22.12449 
1 1 1    3   31   15 o  309.162   16.446  1230.95  126.509  1566.05  179.755  902.066  178.080  345.638   20.925  256.964   28.216 88.67316 35.12834 
1 1 1    3   31   16 o  396.600   15.956  2016.19  158.027  2238.58  275.555  1907.21  192.900  407.207   27.256  382.231   20.282 24.97583 33.97408 
1 1 1    3   31   17 o  204.214   13.646  532.875   69.190   0.0000   0.0000  532.875   69.190  ?   ?   204.214   13.646 0.000000 13.64635 
1 1 1    3   31   18 o  208.718   20.501  571.679  105.476  571.679  105.476   0.0000   0.0000  208.718   20.501  ?   ?  0.000000 20.50145 
1 1 1    3   31   19 f  157.758   10.423  315.432   40.831  368.824   73.149  291.268   49.211  168.441   17.653  150.885   13.193 17.55606 22.03813 
1 1 1    3   31   20 o  256.504   11.863  832.872   75.984  1080.79  134.774  717.350   91.999  288.689   18.797  236.372   15.675 52.31781 24.47549 
1 1 1    3   31   21 o  180.075   13.041  413.620   58.244  431.852   87.040  398.837   78.377  181.725   19.484  175.076   18.193 6.648438 26.65735 
1 1 1    3   31   22 o  195.042   11.394  482.513   55.252  512.834   96.649  467.792   67.341  198.072   19.806  191.208   14.205 6.863480 24.37288 
1 1 1    3   31   23 o  422.700   16.935  2292.45  178.760  2613.29  309.922  2132.50  218.829  440.093   28.351  403.648   21.790 36.44464 35.75777 
1 1 1    3   31   24 o  298.397   13.107  1130.06   97.666  1298.03  168.843  1045.60  119.729  314.818   21.608  285.049   16.895 29.76843 27.42903 
1 1 1    3   31   25 o  144.525   14.907  268.973   53.028  330.206   69.086  181.166   82.730  159.375   17.655  113.838   29.016 45.53741 33.96547 
1 1 1    3   31   26 o  376.558   15.808  1813.06  148.651  2138.37  256.782  1649.09  182.305  400.516   25.811  355.695   20.613 44.82166 33.03207 
1 1 1    3   31   27 o  103.140   10.278  135.477   26.119  244.288   45.625   82.435   31.855  138.057   13.403   78.780   16.710 59.27699 21.42150 
1 1 1    3   31   28 o  265.062   12.218  890.257   80.869  1010.83  136.988  825.763  100.191  278.516   19.826  253.537   15.905 24.97878 25.41716 
1 1 1    3   31   29 o  190.562   12.075  461.941   57.164   0.0000   0.0000  461.941   57.164  ?   ?   190.562   12.075 0.000000 12.07506 
1 1 1    3   31   30 o  128.023   11.321  208.986   35.820  250.808   52.372  172.228   49.100  139.223   15.317  114.325   17.776 24.89806 23.46481 
1 1 1    3   31   31 o  188.821   11.367  453.185   53.346  633.959   86.201  340.981   67.912  221.785   15.665  161.821   17.063 59.96376 23.16349 
1 1 1    3   31   32 o   56.363   12.077   41.849   16.487   57.108   24.415   29.059   22.354   65.464   15.223   48.420   15.949 17.04423 22.04782 
1 1 1    3   31   33 o   66.903   15.594   59.845   25.571   69.533   27.757   5.5205   65.728   72.137   15.842   58.397   25.078 13.74041 29.66269 
1 1 1    3   31   34 o  133.337   13.349  229.615   43.851   0.0000   0.0000  229.615   43.851  ?   ?   133.337   13.349 0.000000 13.34913 
1 1 1    3   32    0 o   66.331   15.761   60.381   25.722   39.511   34.670   85.931   38.361   55.964   19.824   77.922   19.703 -21.95810 27.94994 
1 1 1    3   32    1 o  166.886   11.166  358.753   46.263  276.718   70.877  419.649   61.066  141.283   20.703  179.171   13.753 -37.88713 24.85532 
1 1 1    3   32    2 o  221.278   11.922  630.614   65.636  553.389  106.462  677.964   83.364  200.426   21.613  227.647   14.744 -27.22086 26.16298 
1 1 1    3   32    3 o  130.635   19.960  232.958   63.046   0.0000   0.0000  232.958   63.046  ?   ?   130.635   19.960 0.000000 19.95974 
1 1 1    3   32    4 o  309.622   13.125  1233.26  101.482  982.503  170.149  1371.71  126.432  264.266   26.125  324.577   15.599 -60.31094 30.42781 
1 1 1    3   32    5 o  335.082   13.982  1447.41  116.997  1281.70  198.327  1535.86  144.895  302.451   26.527  342.664   16.933 -40.21286 31.47060 
1 1 1    3   32    6 o  167.952   11.231  360.705   46.831  337.321   76.091  374.963   59.417  158.641   19.626  170.113   14.114 -11.47195 24.17433 
1 1 1    3   32    7 o  137.787   14.430  246.867   48.914  247.347   62.138  246.084   79.316  136.110   18.782  132.713   24.846 3.396805 31.14635 
1 1 1    3   32    8 o  140.799   11.241  253.556   39.194  345.086   65.155  201.655   49.063  162.444   16.281  123.805   16.263 38.63900 23.01219 
1 1 1    3   32    9 o  109.090   11.668  153.027   31.293  158.635   52.118  149.866   39.132  108.267   20.014  106.929   15.073 1.337746 25.05523 
1 1 1    3   32   10 o  115.463   11.317  170.863   32.210  204.568   54.342  152.608   39.993  124.181   18.052  107.909   15.268 16.27253 23.64303 
1 1 1    3   32   11 o  202.818   11.415  523.928   57.579  475.641   98.499  548.994   70.967  188.692   21.275  206.689   13.829 -17.99715 25.37504 
1 1 1    3   32   12 o  146.604   12.582  275.640   45.616  373.041   68.981  199.946   60.811  169.210   16.536  121.832   20.730 47.37792 26.51791 
1 1 1    3   32   13 o  277.673   16.921  1000.10  116.772   0.0000   0.0000  1000.10  116.772  ?   ?   277.673   16.921 0.000000 16.92119 
1 1 1    3   32   14 o  161.798   10.763  332.833   43.237  480.840   77.632  266.280   52.058  192.553   16.298  143.470   14.740 49.08260 21.97482 
1 1 1    3   32   15 o  198.955   11.463  503.484   56.709  607.146  100.646  455.263   68.643  215.289   18.912  188.021   14.738 27.26859 23.97668 
1 1 1    3   32   16 o  156.454   13.735  314.522   53.118   0.0000   0.0000  314.522   53.118  ?   ?   156.454   13.735 0.000000 13.73489 
1 1 1    3   32   17 o  120.649   21.612  196.243   62.721  196.243   62.721   0.0000   0.0000  120.649   21.612  ?   ?  0.000000 21.61165 
1 1 1    3   32   18 o  166.381   10.974  351.747   45.339  313.743   81.649  368.690   54.516  153.141   21.981  169.787   12.956 -16.64598 25.51474 
1 1 1    3   32   19 o  130.781   10.838  217.736   35.075  279.175   64.664  192.124   41.751  145.919   18.137  122.003   13.955 23.91540 22.88456 
1 1 1    3   32   20 o  242.723   11.864  746.850   71.911  842.968  126.414  700.866   87.437  253.621   20.125  233.609   15.069 20.01233 25.14144 
1 1 1    3   32   21 o  107.379   11.900  147.858   31.374  201.344   58.097  125.838   37.277  123.159   19.543   97.955   15.775 25.20418 25.11507 
1 1 1    3   32   22 o  200.307   18.947  524.197   93.648   0.0000   0.0000  524.197   93.648  ?   ?   200.307   18.947 0.000000 18.94699 
1 1 1    3   32   23 o  309.395   13.888  1219.73  107.298  1309.76  185.543  1174.49  131.519  313.779   23.858  301.341   17.554 12.43823 29.61989 
1 1 1    3   32   24 o  258.707   12.248  849.019   79.130  1013.60  136.085  764.949   97.263  278.621   19.686  243.703   16.072 34.91824 25.41348 
1 1 1    3   32   25 o  201.077   11.425  513.466   57.132  579.187   97.894  479.520   70.356  210.681   18.805  193.230   14.691 17.45103 23.86280 
1 1 1    3   32   26 o  107.719   17.041  152.716   44.313  165.469   53.823  125.884   78.070  111.193   20.125   95.365   29.646 15.82873 35.83122 
1 1 1    3   32   27 o  188.480   11.178  451.206   52.374  561.683   87.728  390.023   65.286  208.152   17.026  173.921   15.184 34.23143 22.81364 
1 1 1    3   32   28 o  320.092   12.801  1303.22  102.322  1487.25  174.310  1206.47  126.389  336.330   20.857  305.656   16.621 30.67386 26.66979 
1 1 1    3   32   29 o   66.707   13.059   58.543   20.976   64.878   36.499   55.418   25.631   69.545   19.967   64.413   16.005 5.132622 25.59047 
1 1 1    3   32   30 o  176.720   11.347  397.740   49.810  462.927   80.916  357.967   63.204  188.316   17.403  166.233   15.401 22.08331 23.23919 
1 1 1    3   32   31 o  159.405   11.729  324.698   46.361  387.222   67.138  267.711   64.097  172.643   15.746  142.217   18.485 30.42596 24.28253 
1 1 1    3   32   32 o  154.472   10.768  304.219   41.277  420.848   64.774  224.478   53.560  180.394   14.502  130.551   16.820 49.84265 22.20831 
1 1 1    3   32   33 o  162.906   10.795  338.618   43.666  320.343   68.087  351.386   56.912  155.587   17.847  164.796   13.961 -9.208740 22.65865 
1 1 1    3   32   34 o  103.672   14.026  140.762   35.380  143.228   40.196  132.280   74.543  103.889   16.008   95.340   28.846 8.549171 32.99025 
1 1 1    3   32   35 o  157.521   13.845  322.539   53.908   0.0000   0.0000  322.539   53.908  ?   ?   157.521   13.845 0.000000 13.84491 
1 1 1    3   33    0 o  196.551   14.035  514.895   68.434  391.486   84.607  748.394  116.380  165.020   21.008  229.239   20.548 -64.21910 29.38644 
1 1 1    3   33    1 f   95.786   13.732  122.802   31.906  130.980   45.946  115.186   44.340   95.748   19.867   89.396   20.322 6.351448 28.42017 
1 1 1    3   33    2 o   30.788   13.574  -4.1739   20.351   12.114   26.648 -26.9687   31.525   41.150   16.672   32.849   15.376 8.301182 22.67935 
1 1 1    3   33    3 o  171.953   11.171  381.645   47.708  283.667   74.415  450.017   62.164  141.877   21.693  185.408   13.519 -43.53133 25.56097 
1 1 1    3   33    4 o   35.561   14.776   5.3673   21.623  -9.7866   30.093   21.540   31.089   36.205   16.200   47.375   18.379 -11.17002 24.49942 
1 1 1    3   33    5 o  149.035   19.654  302.942   71.361   0.0000   0.0000  302.942   71.361  ?   ?   149.035   19.654 0.000000 19.65399 
1 1 1    3   33    6 o   56.637   16.487   43.114   24.729   89.998   37.697   7.6974   32.765   80.683   19.021   43.293   18.105 37.38964 26.25993 
1 1 1    3   33    7 o  160.361   11.023  329.532   43.873  253.317   71.749  375.046   55.446  135.395   21.974  170.230   13.145 -34.83505 25.60587 
1 1 1    3   33    8 o  104.895   12.190  142.592   31.335   70.909   50.638  187.073   39.889   72.511   24.010  119.847   13.567 -47.33589 27.57844 
1 1 1    3   33    9 o  104.543   16.235  145.177   41.009  158.751   52.012  122.872   66.673  107.856   20.049   92.446   27.117 15.41028 33.72356 
1 1 1    3   33   10 o   93.817   12.938  114.695   29.505  122.553   49.959  110.486   36.562   93.996   21.720   90.839   16.734 3.157120 27.41914 
1 1 1    3   33   11 o  224.624   11.879  644.992   66.393  525.865  113.678  706.664   81.793  196.079   23.697  234.073   14.058 -37.99435 27.55347 
1 1 1    3   33   12 o  140.612   11.441  253.108   39.825  290.048   69.596  235.124   48.561  147.408   19.376  134.413   14.707 12.99478 24.32581 
1 1 1    3   33   13 o   35.778   14.496   7.4719   20.149   28.679   40.941   0.6936   23.146   54.789   21.136   35.097   14.972 19.69186 25.90169 
1 1 1    3   33   14 o   59.652   19.393   45.774   33.090   0.0000   0.0000   45.774   33.090  ?   ?    59.652   19.393 0.000000 19.39283 
1 1 1    3   33   15 o  132.161   13.736  225.771   44.672   0.0000   0.0000  225.771   44.672  ?   ?   132.161   13.736 0.000000 13.73623 
1 1 1    3   33   16 o  173.454   20.754  401.287   88.110  401.287   88.110   0.0000   0.0000  173.454   20.754  ?   ?  0.000000 20.75393 
1 1 1    3   33   17 o  205.725   11.552  539.044   59.105  555.382  105.481  531.566   71.360  204.357   20.967  203.297   14.144 1.059647 25.29166 
1 1 1    3   33   18 o  253.894   15.477  831.846   97.657  829.056  138.298  834.622  137.917  249.081   22.477  250.033   22.324 -0.9512939 31.67861 
1 1 1    3   33   19 o  145.420   11.323  269.767   40.793  292.169   74.185  260.057   48.840  147.926   20.645  141.984   13.955 5.941071 24.91935 
1 1 1    3   33   20 o  217.093   11.640  599.846   62.875  712.354  111.291  547.099   76.202  232.907   19.309  206.044   14.911 26.86307 24.39612 
1 1 1    3   33   21 o  220.027   12.068  616.916   66.054  636.907  116.199  607.371   80.288  218.890   21.537  217.175   14.894 1.714874 26.18556 
1 1 1    3   33   22 o  246.519   12.702  775.553   77.929  791.854  135.861  767.560   95.135  243.557   22.595  243.858   15.706 -0.3017426 27.51781 
1 1 1    3   33   23 o  162.029   17.948  344.230   71.402   0.0000   0.0000  344.230   71.402  ?   ?   162.029   17.948 0.000000 17.94841 
1 1 1    3   33   24 o   73.278   14.624   71.072   25.822   82.184   49.016   66.803   30.380   77.856   23.354   70.503   17.369 7.352531 29.10488 
1 1 1    3   33   25 o  370.139   16.045  1765.21  148.302  1980.25  255.032  1655.34  182.292  380.703   27.001  354.315   20.693 26.38797 34.01852 
1 1 1    3   33   26 o  115.409   11.693  170.814   33.234  209.997   56.741  150.352   41.004  125.780   18.628  107.013   15.821 18.76678 24.43983 
1 1 1    3   33   27 o  109.246   11.921  153.459   31.994  167.216   52.922  145.535   40.164  111.516   19.726  105.227   15.771 6.288696 25.25505 
1 1 1    3   33   28 o   91.861   18.516  113.725   41.008  124.900   47.588   81.489   80.824   95.702   20.528   81.337   30.065 14.36487 36.40462 
1 1 1    3   33   29 o   43.941   14.106   24.308   17.547   32.564   33.155   21.096   20.681   53.508   19.337   43.113   15.307 10.39525 24.66209 
1 1 1    3   33   30 o   38.798   13.471   17.522   15.958   33.284   29.447   10.969   18.988   52.589   18.297   36.677   14.325 15.91224 23.23827 
1 1 1    3   33   31 o   64.257   12.735   54.608   19.713   64.104   31.937   48.763   25.056   68.639   18.299   60.216   16.275 8.422855 24.48939 
1 1 1    3   33   32 f   98.451   17.144  130.107   40.617   0.0000   0.0000  130.107   40.617  ?   ?    98.451   17.144 0.000000 17.14380 
1 1 1    3   33   33 o  146.026   11.113  273.615   40.220  324.796   62.309  237.057   52.661  156.950   16.127  133.896   16.071 23.05397 22.76746 
1 1 1    3   33   34 o   78.414   11.541   80.281   21.924   91.896   31.414   69.253   30.611   82.611   15.803   71.091   17.387 11.52012 23.49596 
1 1 1    3   33   35 o   54.044   12.678   39.120   16.815   52.378   22.621   22.749   25.138   62.193   14.783   45.494   16.777 16.69925 22.36033 
1 1 1    3   33   36 o   65.316   16.406   58.547   26.724   0.0000   0.0000   58.547   26.724  ?   ?    65.316   16.406 0.000000 16.40613 
1 1 1    3   34    0 o  153.944   11.845  315.022   45.186  260.903   68.158  357.463   60.357  131.448   21.508  160.986   15.194 -29.53763 26.33318 
1 1 1    3   34    1 o  159.353   11.741  335.289   46.391  265.608   70.436  388.673   61.651  133.251   21.931  169.045   14.752 -35.79439 26.43098 
1 1 1    3   34    2 o   43.470   17.459   16.402   28.952   19.375   31.783   1.9084   70.180   45.823   18.332   55.259   24.732 -9.436432 30.78534 
1 1 1    3   34    3 o  114.133   12.403  172.209   34.782  121.542   52.495  211.857   46.438   89.667   23.250  125.086   15.177 -35.41876 27.76523 
1 1 1    3   34    4 o   65.039   16.366   58.955   26.559   47.726   38.503   69.147   36.683   59.727   20.915   69.411   20.044 -9.684052 28.96846 
1 1 1    3   34    5 o  185.139   11.437  444.283   52.617  353.362   85.158  500.427   66.919  157.249   22.312  194.901   13.839 -37.65227 26.25556 
1 1 1    3   34    6 o   55.879   20.390   37.988   36.994   0.0000   0.0000   37.988   36.994  ?   ?    55.879   20.390 0.000000 20.39038 
1 1 1    3   34    7 o   86.351   14.357   99.656   29.871  122.824   49.184   86.116   37.601   92.785   21.627   78.346   19.336 14.43906 29.01062 
1 1 1    3   34    8 o  189.912   11.469  464.418   54.137  404.247   90.862  497.534   67.408  170.562   21.834  195.214   13.919 -24.65224 25.89327 
1 1 1    3   34    9 o  217.454   11.905  608.786   64.404  455.955  108.655  691.563   79.965  179.196   24.959  230.526   13.957 -51.33005 28.59606 
1 1 1    3   34   10 o   55.749   16.815   41.478   25.358   19.706   41.288   54.666   32.133   51.303   20.763   63.409   18.884 -12.10633 28.06645 
1 1 1    3   34   11 o   39.752   15.758   12.209   23.279   48.963   42.932  -3.0974   27.706   62.516   22.069   36.782   16.037 25.73473 27.28069 
1 1 1    3   34   12 o  149.512   11.568  287.158   42.856  330.528   75.478  266.523   52.062  156.520   19.750  142.731   14.823 13.78845 24.69399 
1 1 1    3   34   13 o   75.588   14.932   76.324   27.186   81.329   52.400   74.481   31.800   76.776   24.349   73.979   17.489 2.796799 29.97902 
1 1 1    3   34   14 o   81.129   16.799   88.747   32.912   0.0000   0.0000   88.747   32.912  ?   ?    81.129   16.799 0.000000 16.79855 
1 1 1    3   34   15 o  176.021   21.707  420.132   93.391  420.132   93.391   0.0000   0.0000  176.021   21.707  ?   ?  0.000000 21.70653 
1 1 1    3   34   16 o  117.919   12.763  179.844   36.984  118.383   69.183  204.436   43.762   91.116   27.839  125.301   14.239 -34.18481 31.26888 
1 1 1    3   34   17 o  151.595   11.369  294.030   42.724  261.686   78.077  307.854   51.044  137.689   23.554  154.439   13.367 -16.74936 27.08304 
1 1 1    3   34   18 o  130.624   11.368  218.633   36.711  244.795   69.612  208.553   43.207  134.196   21.498  126.767   13.875 7.429153 25.58735 
1 1 1    3   34   19 o  161.257   11.575  332.589   46.301  313.664   83.944  340.865   55.509  151.532   22.898  162.453   13.814 -10.92148 26.74205 
1 1 1    3   34   20 o   62.893   20.536   51.335   37.092   87.555   50.223   7.8727   55.015   79.670   23.582   54.371   23.135 25.29902 33.03490 
1 1 1    3   34   21 o  208.760   12.021  557.126   62.405  559.756  109.394  555.857   75.980  203.974   21.815  207.302   14.774 -3.328094 26.34698 
1 1 1    3   34   22 o  140.069   11.723  251.424   40.626  280.397   72.634  238.233   49.009  144.275   20.758  135.316   14.742 8.959366 25.46039 
1 1 1    3   34   23 o  256.978   13.124  847.041   83.937  850.014  145.250  845.550  102.848  250.288   23.515  254.970   16.238 -4.682190 28.57659 
1 1 1    3   34   24 o  115.922   12.051  173.053   34.376  216.084   61.015  153.044   41.608  126.661   19.951  107.701   15.953 18.96017 25.54446 
1 1 1    3   34   25 o  198.844   19.227  524.784   94.282   0.0000   0.0000  524.784   94.282  ?   ?   198.844   19.227 0.000000 19.22733 
1 1 1    3   34   26 o  137.663   11.772  243.277   40.080  290.043   67.630  217.961   49.760  147.494   18.789  128.838   15.797 18.65584 24.54717 
1 1 1    3   34   27 o   76.918   14.160   78.398   26.196   55.956   44.279   90.483   32.493   65.925   22.458   82.083   16.425 -16.15868 27.82359 
1 1 1    3   34   28 o   90.758   13.105  107.717   28.840  102.349   47.844  110.780   36.146   85.562   22.201   90.938   16.526 -5.375771 27.67648 
1 1 1    3   34   29 o   81.242   19.913   91.232   40.085  126.135   45.640 -26.5369   83.836   95.859   19.724   58.469   26.522 37.38988 33.05207 
1 1 1    3   34   30 o   90.940   11.991  107.599   26.567  137.021   44.271   91.041   33.212  100.454   18.323   82.009   16.783 18.44541 24.84761 
1 1 1    3   34   31 o   41.500   13.907   21.205   16.976   33.370   29.194   14.990   20.867   52.218   18.216   39.685   15.144 12.53293 23.68902 
1 1 1    3   34   32 o  126.679   11.209  206.898   35.092  231.323   54.317  189.400   45.974  131.487   16.936  119.322   15.819 12.16528 23.17503 
1 1 1    3   34   33 o  110.103   17.149  163.883   45.617   0.0000   0.0000  163.883   45.617  ?   ?   110.103   17.149 0.000000 17.14947 
1 1 1    3   34   34 o  149.862   11.144  289.786   41.407  279.911   62.750  297.402   55.109  143.738   17.867  149.956   14.915 -6.218079 23.27421 
1 1 1    3   34   35 o  112.124   11.453  163.454   31.618  212.091   46.319  121.017   43.266  126.210   14.990   92.969   19.269 33.24068 24.41279 
1 1 1    3   34   36 o   62.880   17.829   54.986   29.283   0.0000   0.0000   54.986   29.283  ?   ?    62.880   17.829 0.000000 17.82898 
1 1 1    3   34   37 o   81.120   25.663   98.932   58.237   0.0000   0.0000   98.932   58.237  ?   ?    81.120   25.663 0.000000 25.66297 
1 1 1    3   35    0 o  171.785   11.883  398.946   50.663  269.569   78.003  493.349   66.630  124.720   25.892  187.959   14.303 -63.23890 29.58037 
1 1 1    3   35    1 o   29.526   13.481 -10.1306   22.118 -29.9589   29.755   14.356   33.066   30.181   14.368   43.366   18.166 -13.18530 23.16166 
1 1 1    3   35    2 o   73.769   16.346   78.541   29.320   73.336   42.180   83.408   40.784   68.405   21.862   73.127   21.139 -4.721382 30.41054 
1 1 1    3   35    3 o   46.411   18.289   22.879   31.185   6.9198   34.572   92.566   72.242   42.331   18.183   74.612   28.248 -32.28109 33.59460 
1 1 1    3   35    4 o   89.900   14.355  110.833   31.142   92.522   46.804  125.380   41.717   77.335   22.730   93.108   18.593 -15.77275 29.36561 
1 1 1    3   35    5 o   89.855   14.068  109.762   30.530  102.223   47.144  115.207   40.067   82.028   22.389   89.607   18.518 -7.578987 29.05485 
1 1 1    3   35    6 o   76.256   15.539   80.527   28.586   21.392   44.375  122.475   37.374   51.504   21.265   93.952   16.534 -42.44773 26.93587 
1 1 1    3   35    7 o  138.693   11.792  251.673   40.452  184.056   65.909  292.539   51.238  110.378   24.547  148.255   14.006 -37.87624 28.26122 
1 1 1    3   35    8 o   91.215   21.331  120.721   47.720   0.0000   0.0000  120.721   47.720  ?   ?    91.215   21.331 0.000000 21.33088 
1 1 1    3   35    9 o  159.136   11.578  328.711   45.696  227.086   76.799  384.409   56.856  123.137   25.802  171.065   13.417 -47.92867 29.08156 
1 1 1    3   35   10 o  117.482   12.621  180.805   36.446  150.050   62.535  196.625   44.851  100.450   25.023  121.378   15.125 -20.92845 29.23894 
1 1 1    3   35   11 o  163.883   11.603  347.296   47.178  309.105   81.466  366.567   57.870  147.612   22.838  167.106   13.997 -19.49437 26.78594 
1 1 1    3   35   12 o  140.998   15.714  264.285   54.387  265.418   74.116  262.962   80.056  137.249   22.398  135.040   24.648 2.208481 33.30448 
1 1 1    3   35   13 o  207.308   15.074  564.599   77.500   0.0000   0.0000  564.599   77.500  ?   ?   207.308   15.074 0.000000 15.07367 
1 1 1    3   35   14 o  180.380   14.187  424.937   63.387  408.805   93.491  438.661   86.233  171.540   22.356  179.875   19.511 -8.334885 29.67268 
1 1 1    3   35   15 o   75.499   15.290   76.775   27.838   78.758   56.624   76.143   31.969   75.510   25.398   74.533   17.479 0.9771423 30.83127 
1 1 1    3   35   16 o  174.555   11.872  392.198   51.442  313.807   91.619  428.288   62.166  148.184   25.690  181.497   13.820 -33.31314 29.17146 
1 1 1    3   35   17 o  106.274   19.150  154.202   48.951   0.0000   0.0000  154.202   48.951  ?   ?   106.274   19.150 0.000000 19.14954 
1 1 1    3   35   18 o   86.880   14.012   99.766   29.365   62.833   59.574  111.619   33.749   70.782   25.868   91.552   15.302 -20.77052 30.05526 
1 1 1    3   35   19 o  117.706   12.473  179.588   36.103  181.986   68.385  178.662   42.510  112.852   24.931  116.484   14.960 -3.633049 29.07505 
1 1 1    3   35   20 o   50.534   16.473   32.645   23.870 -21.0818   50.293   48.266   27.119   45.359   20.562   59.840   17.220 -14.48086 26.82026 
1 1 1    3   35   21 o  154.143   15.365  311.648   58.355  308.887   79.330  314.904   86.143  149.951   21.826  150.220   23.753 -0.2692108 32.25836 
1 1 1    3   35   22 o  192.121   12.191  474.714   58.187  483.746  101.690  470.317   70.949  187.942   22.089  189.767   15.097 -1.824982 26.75473 
1 1 1    3   35   23 o   88.361   14.007  103.085   29.876   95.556   55.839  106.104   35.363   82.130   24.992   88.791   16.558 -6.660339 29.97965 
1 1 1    3   35   24 o  123.127   12.603  196.557   38.204  178.802   66.566  205.278   46.653  111.996   24.484  124.803   15.289 -12.80634 28.86575 
1 1 1    3   35   25 o   79.848   14.929   85.239   28.674   7.4481   51.938  119.341   34.389   52.407   22.393   94.797   15.028 -42.39026 26.96843 
1 1 1    3   35   26 o  128.372   17.883  221.496   55.772   0.0000   0.0000  221.496   55.772  ?   ?   128.372   17.883 0.000000 17.88348 
1 1 1    3   35   27 o  217.144   12.992  609.965   70.127  576.410  117.358  628.600   87.459  203.273   23.556  218.406   16.150 -15.13324 28.56108 
1 1 1    3   35   28 o  188.485   12.499  459.307   58.496  533.473   97.060  417.003   73.305  198.228   19.875  177.156   16.770 21.07198 26.00481 
1 1 1    3   35   29 o  105.838   12.453  146.161   32.282  170.780   52.767  131.435   40.811  111.235   19.718   98.403   17.236 12.83180 26.18953 
1 1 1    3   35   30 o   51.636   19.053   30.469   32.431   18.947   34.856  104.738   88.494   48.015   19.202   85.273   31.471 -37.25869 36.86681 
1 1 1    3   35   31 o  157.017   11.790  319.231   45.893  347.021   73.025  301.091   59.000  159.641   18.671  150.268   15.968 9.373901 24.56740 
1 1 1    3   35   32 o  117.671   11.527  179.947   33.437  202.262   51.715  163.917   43.831  121.903   17.489  110.076   16.450 11.82653 24.00997 
1 1 1    3   35   33 o  123.068   11.168  196.526   33.947  200.992   51.084  192.994   45.430  121.390   17.345  119.897   15.539 1.492722 23.28761 
1 1 1    3   35   34 o   71.117   18.032   71.090   32.068   0.0000   0.0000   71.090   32.068  ?   ?    71.117   18.032 0.000000 18.03187 
1 1 1    3   35   35 o  104.318   11.443  142.312   29.319  129.067   42.244  154.622   40.726   96.071   18.276  106.749   15.751 -10.67767 24.12685 
1 1 1    3   35   36 o  167.742   15.951  379.848   66.010   0.0000   0.0000  379.848   66.010  ?   ?   167.742   15.951 0.000000 15.95061 
1 1 1    3   36    0 o  110.553   14.028  175.326   37.856  121.706   54.948  223.773   52.230   79.901   24.876  120.472   17.906 -40.57107 30.65061 
1 1 1    3   36    1 o  119.472   24.617  250.541   71.000   0.0000   0.0000  250.541   71.000  ?   ?   119.472   24.617 0.000000 24.61713 
1 1 1    3   36    2 o  145.415   12.269  289.242   44.135  169.952   67.474  378.447   58.348   95.028   27.105  163.815   14.410 -68.78621 30.69785 
1 1 1    3   36    3 o   66.672   17.208   66.740   28.844   5.6520   42.076  120.896   39.618   44.105   19.478   89.473   18.347 -45.36834 26.75818 
1 1 1    3   36    4 o   80.333   15.708   92.683   30.381   69.315   46.157  110.547   40.356   65.738   22.906   85.133   19.413 -19.39563 30.02606 
1 1 1    3   36    5 o   55.933   19.770   44.746   34.461   33.624   39.865   77.628   68.546   52.500   20.682   69.274   27.174 -16.77488 34.14871 
1 1 1    3   36    6 o   97.943   13.905  131.470   33.054  124.046   51.830  136.559   42.913   88.429   23.187   96.792   18.427 -8.362869 29.61731 
1 1 1    3   36    7 o   97.141   13.734  128.411   32.386   62.123   52.110  170.131   41.340   65.188   24.132  110.977   15.326 -45.78876 28.58735 
1 1 1    3   36    8 o   54.859   17.063   42.144   25.858   3.2267   42.357   65.264   32.648   45.255   19.777   66.947   18.771 -21.69212 27.26688 
1 1 1    3   36    9 o  107.244   15.357  157.413   39.953  122.392   59.544  186.093   53.884   87.902   25.581  113.785   19.676 -25.88316 32.27234 
1 1 1    3   36   10 o   58.905   19.241   48.314   32.558   0.0000   0.0000   48.314   32.558  ?   ?    58.905   19.241 0.000000 19.24057 
1 1 1    3   36   11 o  173.013   11.480  390.038   49.317  312.776   85.784  428.181   60.273  144.617   24.637  179.883   13.517 -35.26671 28.10134 
1 1 1    3   36   12 o   99.656   16.258  135.943   39.064   0.0000   0.0000  135.943   39.064  ?   ?    99.656   16.258 0.000000 16.25783 
1 1 1    3   36   13 o   86.369   15.654  101.791   32.519   69.026   58.014  116.803   39.267   70.518   25.564   91.615   17.805 -21.09749 31.15380 
1 1 1    3   36   14 o  118.701   17.194  192.350   49.482  262.170   68.559  116.436   71.489  136.416   20.782   86.830   28.518 49.58545 35.28709 
1 1 1    3   36   15 o  137.304   12.030  245.556   40.833  254.127   79.785  242.514   47.529  131.192   25.270  135.321   14.281 -4.128998 29.02641 
1 1 1    3   36   16 o  221.249   12.371  635.597   68.077  508.637  119.943  695.933   82.686  185.579   26.646  229.937   14.474 -44.35818 30.32383 
1 1 1    3   36   17 o   86.642   14.441  100.551   30.144   12.305   59.692  130.759   34.924   55.802   23.929   98.998   14.562 -43.19641 28.01178 
1 1 1    3   36   18 o   57.056   18.134   43.687   29.054   19.447   59.582   51.249   33.278   57.532   24.258   61.337   19.399 -3.804493 31.06037 
1 1 1    3   36   19 o  114.709   13.496  173.096   37.919   34.972   72.280  225.544   44.540   65.057   27.022  130.960   13.829 -65.90269 30.35491 
1 1 1    3   36   20 o   92.948   13.583  114.361   30.598  100.908   59.246  119.255   35.732   82.951   25.832   94.075   15.768 -11.12411 30.26421 
1 1 1    3   36   21 o  108.843   12.829  155.198   34.199  152.629   63.492  156.248   40.590  101.826   25.124  108.102   15.478 -6.275551 29.50915 
1 1 1    3   36   22 o  170.886   12.104  378.203   51.319  333.332   89.849  399.930   62.521  152.398   24.435  174.421   14.485 -22.02316 28.40558 
1 1 1    3   36   23 o  124.571   17.582  210.270   53.173  259.973   68.930  137.230   83.560  136.695   20.854   94.163   30.827 42.53207 37.21804 
1 1 1    3   36   24 o   50.746   16.674   33.369   24.438   42.880   50.307   30.431   27.958   61.378   23.492   50.135   17.798 11.24365 29.47299 
1 1 1    3   36   25 o  113.337   13.063  168.574   36.294  166.100   63.237  169.790   44.321  106.648   24.288  112.302   16.279 -5.654640 29.23885 
1 1 1    3   36   26 o  243.885   13.463  776.211   81.677  686.878  136.859  825.630  101.791  217.526   25.691  248.921   16.469 -31.39536 30.51602 
1 1 1    3   36   27 o  164.247   12.470  351.166   50.765  362.225   84.351  344.886   63.566  160.646   21.572  160.649   16.060 -0.3585815E-02 26.89377 
1 1 1    3   36   28 o  160.295   18.564  351.474   72.936   0.0000   0.0000  351.474   72.936  ?   ?   160.295   18.564 0.000000 18.56447 
1 1 1    3   36   29 o   63.554   15.514   55.509   24.406   43.322   40.798   62.301   30.456   58.793   21.419   66.759   17.901 -7.965694 27.91495 
1 1 1    3   36   30 o   65.707   14.390   58.831   22.958   79.065   40.430   49.203   27.890   74.121   20.926   59.634   17.551 14.48689 27.31219 
1 1 1    3   36   31 o  192.300   16.239  498.033   77.251  489.195   94.212  516.168  134.956  186.611   20.558  179.818   31.185 6.792801 37.35135 
1 1 1    3   36   32 o  133.145   11.419  231.102   37.600  219.712   58.555  239.095   49.048  125.093   19.371  133.482   14.973 -8.388863 24.48277 
1 1 1    3   36   33 o   45.189   14.602   26.770   18.778   54.953   29.302   7.1296   24.462   62.468   17.878   37.752   15.704 24.71666 23.79519 
1 1 1    3   36   34 o   61.739   13.966   52.227   21.028   50.429   30.735   53.810   28.832   59.970   18.594   61.773   17.750 -1.803669 25.70604 
1 1 1    3   36   35 o  142.596   18.308  283.870   63.687   0.0000   0.0000  283.870   63.687  ?   ?   142.596   18.308 0.000000 18.30810 
1 1 1    3   37    0 o  114.878   14.322  195.123   40.194   95.205   59.971  276.607   54.157   65.800   25.526  133.560   16.596 -67.75995 30.44663 
1 1 1    3   37    1 o   33.449   15.077  -2.8968   26.597 -25.7002   37.415   20.400   37.818   33.991   16.162   44.522   19.068 -10.53117 24.99584 
1 1 1    3   37    2 o   33.824   15.269  -3.8876   27.398   5.6909   37.812 -14.4748   39.753   40.982   18.261   37.361   17.414 3.620461 25.23346 
1 1 1    3   37    3 o   46.817   19.466   25.200   37.566   0.0000   0.0000   25.200   37.566  ?   ?    46.817   19.466 0.000000 19.46623 
1 1 1    3   37    4 o   36.680   15.701   6.8913   25.617   24.351   38.864  -6.5217   34.064   47.329   19.750   37.053   16.845 10.27655 25.95768 
1 1 1    3   37    5 o   34.812   15.134   2.6177   24.524  -9.9960   37.590   11.965   32.359   38.210   17.495   41.671   17.737 -3.460350 24.91351 
1 1 1    3   37    6 o   51.308   19.738   35.501   35.622   24.247   41.986   64.415   67.300   49.015   20.497   63.623   26.219 -14.60801 33.27999 
1 1 1    3   37    7 f   75.702   16.358   83.649   30.020   51.852   48.550  103.332   38.198   59.364   22.985   82.429   18.953 -23.06487 29.79114 
1 1 1    3   37    8 o   64.591   17.200   61.579   28.236   47.517   46.804   69.626   35.405   58.269   22.566   67.370   19.760 -9.101063 29.99438 
1 1 1    3   37    9 o   66.873   17.037   65.284   28.530  135.622   50.801   32.878   34.482   93.054   22.176   51.088   19.474 41.96598 29.51340 
1 1 1    3   37   10 o   92.322   14.646  117.999   32.638   77.008   56.537  138.488   39.972   69.863   25.251   98.710   16.819 -28.84686 30.33924 
1 1 1    3   37   11 o  106.150   21.116  168.724   54.003   0.0000   0.0000  168.724   54.003  ?   ?   106.150   21.116 0.000000 21.11578 
1 1 1    3   37   12 o   87.014   15.442  105.179   32.324   89.483   58.837  111.965   38.686   75.132   25.880   88.227   18.164 -13.09516 31.61794 
1 1 1    3   37   13 o   46.125   16.831   25.827   25.207   26.931   51.611   25.481   28.887   54.976   22.834   47.173   17.862 7.803192 28.99070 
1 1 1    3   37   14 o   68.589   16.572   66.444   28.067   84.505   55.773   60.320   32.479   74.265   25.205   64.710   18.910 9.555519 31.51052 
1 1 1    3   37   15 o   62.493   21.581   54.752   40.927   19.365   56.299   94.411   59.601   54.910   23.385   78.005   26.058 -23.09481 35.01217 
1 1 1    3   37   16 o   85.504   14.847   99.792   30.552   15.348   59.821  129.591   35.536   55.275   23.833   97.570   15.070 -42.29465 28.19772 
1 1 1    3   37   17 o   45.231   16.569   23.924   24.461   27.676   54.016   22.956   27.435   56.640   23.429   45.880   17.399 10.75938 29.18299 
1 1 1    3   37   18 o  104.880   13.321  146.461   34.102  113.569   65.534  158.675   39.936   85.108   27.255  108.258   15.190 -23.15022 31.20239 
1 1 1    3   37   19 o  105.301   13.639  147.909   35.023   67.058   66.001  179.598   41.321   70.442   26.921  115.647   14.636 -45.20453 30.64241 
1 1 1    3   37   20 o  121.841   19.206  208.200   56.502   0.0000   0.0000  208.200   56.502  ?   ?   121.841   19.206 0.000000 19.20632 
1 1 1    3   37   21 o  137.016   12.252  246.048   41.478  237.082   75.154  249.975   49.739  125.945   24.778  136.657   14.812 -10.71211 28.86825 
1 1 1    3   37   22 o   47.087   16.450   27.649   23.812   31.427   50.214   26.553   27.046   56.895   22.943   47.558   17.422 9.336891 28.80838 
1 1 1    3   37   23 o   44.909   16.278   23.708   23.522   17.978   49.812   25.353   26.684   52.970   22.249   46.855   17.284 6.114819 28.17323 
1 1 1    3   37   24 o   62.646   21.842   53.433   41.969   65.862   50.684   26.319   74.861   68.405   23.994   62.509   26.801 5.896523 35.97229 
1 1 1    3   37   25 o   68.840   16.137   65.839   27.258  104.253   51.442   50.844   32.140   83.402   23.625   60.450   19.059 22.95261 30.35402 
1 1 1    3   37   26 o  137.781   12.701  249.952   43.207  197.997   73.006  277.960   53.602  113.333   26.303  143.831   15.152 -30.49754 30.35492 
1 1 1    3   37   27 o   29.324   13.124  -6.7518   19.758 -12.3205   41.058  -5.0735   22.540   41.467   18.708   32.048   14.199 9.419510 23.48604 
1 1 1    3   37   28 o   85.767   14.435   99.795   29.819   91.680   50.229  104.211   37.056   78.044   23.694   86.020   17.836 -7.976746 29.65647 
1 1 1    3   37   29 o   78.149   19.546   88.299   38.046   0.0000   0.0000   88.299   38.046  ?   ?    78.149   19.546 0.000000 19.54570 
1 1 1    3   37   30 f   81.294   14.708   90.374   28.760   81.835   46.602   95.626   36.550   73.971   22.890   81.893   18.330 -7.921806 29.32455 
1 1 1    3   37   31 o  199.215   12.843  524.105   63.548  491.065  102.204  544.930   81.140  182.509   22.931  199.778   16.409 -17.26888 28.19764 
1 1 1    3   37   32 o  119.894   12.034  189.788   35.542  225.111   56.020  165.990   45.982  126.515   18.260  108.879   17.505 17.63577 25.29567 
1 1 1    3   37   33 o  122.397   12.205  198.241   36.808  213.256   56.160  186.935   48.734  122.415   18.986  115.594   17.424 6.820633 25.76962 
1 1 1    3   37   34 o   71.604   18.470   74.195   33.244   0.0000   0.0000   74.195   33.244  ?   ?    71.604   18.470 0.000000 18.47039 
1 1 1    3   38    0 f   46.402   19.774   33.403   40.302   8.6561   45.276  127.832   88.443   41.457   19.062   62.413   27.861 -20.95595 33.75772 
1 1 1    3   38    1 o   37.764   16.377   11.205   28.580   12.677   41.562   9.8855   39.366   42.059   18.913   40.834   18.380 1.224823 26.37231 
1 1 1    3   38    2 o   69.082   19.020   82.181   33.850 -19.2230   49.847  168.962   46.114   39.207   18.646  100.535   19.066 -61.32753 26.66770 
1 1 1    3   38    3 o   63.125   18.832   67.507   31.936   43.697   49.282   84.745   41.933   52.352   22.067   67.498   21.821 -15.14582 31.03409 
1 1 1    3   38    4 o   57.991   22.517   60.304   46.695   0.0000   0.0000   60.304   46.695  ?   ?    57.991   22.517 0.000000 22.51653 
1 1 1    3   38    5 o   35.861   15.719   3.7983   26.938 -19.9683   41.629   20.918   35.332   37.164   17.482   44.469   18.711 -7.304783 25.60739 
1 1 1    3   38    6 o   45.502   17.496   27.801   27.981   27.291   45.214   28.117   35.621   49.137   20.942   47.293   19.233 1.844410 28.43393 
1 1 1    3   38    7 o   45.202   17.377   26.642   27.599   38.220   45.543   19.922   34.696   52.799   21.641   44.660   18.650 8.139503 28.56873 
1 1 1    3   38    8 o  121.736   17.978  223.624   53.007  155.353   68.116  328.447   84.403   89.071   27.692  136.635   25.680 -47.56422 37.76609 
1 1 1    3   38    9 o   61.365   18.263   57.992   30.062   35.687   54.101   67.956   36.159   54.585   23.070   65.218   20.159 -10.63312 30.63730 
1 1 1    3   38   10 o  100.373   18.273  150.928   44.113   0.0000   0.0000  150.928   44.113  ?   ?   100.373   18.273 0.000000 18.27288 
1 1 1    3   38   11 o  117.931   14.045  193.015   40.547  156.817   70.236  211.109   49.657   92.087   28.031  120.798   16.926 -28.71107 32.74522 
1 1 1    3   38   12 o  118.577   13.183  192.065   38.374  228.146   70.571  176.917   45.726  117.745   24.785  110.684   17.094 7.060341 30.10831 
1 1 1    3   38   13 o   64.746   21.318   64.578   39.938   0.0000   0.0000   64.578   39.938  ?   ?    64.746   21.318 0.000000 21.31770 
1 1 1    3   38   14 o   49.781   17.362   33.600   26.519   16.891   54.615   38.755   30.335   52.136   22.625   52.906   18.562 -0.7702522 29.26484 
1 1 1    3   38   15 o   91.939   14.807  117.338   32.841   24.359   61.946  153.687   38.732   56.094   24.219  105.184   15.185 -49.09012 28.58573 
1 1 1    3   38   16 o  114.657   13.348  177.816   37.504   84.341   69.719  215.878   44.489   72.605   27.688  125.663   14.440 -53.05797 31.22685 
1 1 1    3   38   17 o   69.358   21.492   72.952   41.067   67.077   57.761   78.957   58.400   67.236   25.304   71.098   25.669 -3.862183 36.04392 
1 1 1    3   38   18 o   58.462   17.318   48.829   27.077   23.035   56.981   56.352   30.774   55.115   23.500   62.318   18.462 -7.203335 29.88490 
1 1 1    3   38   19 o   41.536   16.170   17.334   24.131   31.644   51.894   13.386   27.257   56.067   23.055   41.325   16.817 14.74196 28.53669 
1 1 1    3   38   20 o   38.235   15.490   11.124   23.004  -4.4838   51.008   15.109   25.773   47.085   21.078   41.350   16.521 5.735008 26.78099 
1 1 1    3   38   21 o   53.738   17.300   40.017   26.377  153.383   60.148   13.025   29.350   98.976   24.473   42.267   17.354 56.70920 30.00165 
1 1 1    3   38   22 o   33.010   14.375  -0.9263   22.200   35.997   52.239  -9.0644   24.524   57.607   23.341   32.042   14.457 25.56559 27.45543 
1 1 1    3   38   23 o   53.540   17.172   39.650   26.006   12.643   52.183   48.574   29.997   51.480   22.227   58.521   18.406 -7.041088 28.85928 
1 1 1    3   38   24 o   95.503   14.193  124.074   32.819   98.592   60.276  134.811   39.127   78.629   26.204   98.262   16.532 -19.63345 30.98301 
1 1 1    3   38   25 o   87.442   15.372  105.795   32.341   95.772   57.519  110.429   39.108   77.808   25.581   87.603   18.460 -9.795395 31.54610 
1 1 1    3   38   26 o   51.961   21.045   26.432   42.448 -17.2906   48.501  169.554   87.751   43.495   19.899   97.301   31.578 -53.80529 37.32478 
1 1 1    3   38   27 o  123.267   13.299  203.753   40.288  196.728   68.217  207.516   49.924  111.995   25.022  122.000   16.836 -10.00538 30.15887 
1 1 1    3   38   28 o  140.872   13.035  265.038   45.335  238.794   74.751  280.307   57.018  123.583   25.079  142.358   16.335 -18.77504 29.92970 
1 1 1    3   38   29 o  156.846   12.803  327.633   49.709  297.309   79.916  346.769   63.484  139.466   23.801  158.434   16.277 -18.96832 28.83437 
1 1 1    3   38   30 o  113.308   19.486  186.198   53.148   0.0000   0.0000  186.198   53.148  ?   ?   113.308   19.486 0.000000 19.48578 
1 1 1    3   38   31 o  154.609   13.059  319.670   49.947  329.230   78.892  313.274   64.526  148.593   21.919  149.090   17.676 -0.4966736 28.15836 
1 1 1    3   38   32 o   66.455   15.526   62.325   25.301   43.280   42.166   73.039   31.628   57.345   21.612   70.944   17.864 -13.59886 28.03945 
1 1 1    3   38   33 o  133.708   16.816  250.389   54.904   0.0000   0.0000  250.389   54.904  ?   ?   133.708   16.816 0.000000 16.81561 
1 1 1    3   38   34 o   66.490   31.219  -2.4392  131.701   0.0000   0.0000  -2.4392  131.701  ?   ?    66.490   31.219 0.000000 31.21885 
1 1 1    3   39    0 o   38.947   18.011   10.703   41.260   30.345   46.130 -67.8596   92.258   43.621   19.741   39.816   20.064 3.804676 28.14699 
1 1 1    3   39    1 o   47.128   20.445   41.170   44.568   25.714   50.928   91.716   92.100   44.210   20.287   53.552   25.432 -9.341434 32.53190 
1 1 1    3   39    2 o   49.921   20.751   47.507   42.671   26.821   49.491  107.429   84.235   45.221   20.457   58.340   26.510 -13.11956 33.48560 
1 1 1    3   39    3 o   53.426   19.094   51.771   32.230   36.909   49.105   63.019   42.719   48.276   21.191   55.954   21.589 -7.677792 30.25132 
1 1 1    3   39    4 o   51.444   18.991   45.740   32.227   12.592   49.808   69.610   42.266   44.034   20.153   59.454   21.780 -15.41932 29.67321 
1 1 1    3   39    5 o   51.417   18.821   44.238   31.554   21.483   50.661   58.661   40.333   46.621   20.929   56.484   21.167 -9.862915 29.76657 
1 1 1    3   39    6 o   65.584   22.143   81.161   43.041   0.0000   0.0000   81.161   43.041  ?   ?    65.584   22.143 0.000000 22.14269 
1 1 1    3   39    7 o   54.305   18.670   48.294   30.613   56.686   52.168   43.886   37.808   56.688   23.190   52.265   20.270 4.423443 30.80004 
1 1 1    3   39    8 o   52.772   18.752   44.280   31.044   27.214   53.699   52.846   38.045   50.109   22.073   56.192   20.652 -6.082047 30.22756 
1 1 1    3   39    9 o   48.527   22.544   2.0419   65.741   0.0000   0.0000   2.0419   65.741  ?   ?    48.527   22.544 0.000000 22.54355 
1 1 1    3   39   10 o   30.335   14.437 -26.8704   29.992 -44.7506   51.396 -17.6374   36.933   37.843   18.243   35.861   16.738 1.982216 24.75822 
1 1 1    3   39   11 o   55.367   18.542   47.554   30.178 -53.4854   55.843   89.232   35.866   38.703   18.744   74.861   19.118 -36.15771 26.77387 
1 1 1    3   39   12 o   75.399   17.448   86.558   32.201  100.939   62.074   81.263   37.666   72.764   26.434   70.736   20.277 2.027863 33.31492 
1 1 1    3   39   13 o   30.611   14.031 -10.8477   24.270 -12.1637   53.489 -10.5065   27.235   44.288   20.490   32.609   14.916 11.67860 25.34441 
1 1 1    3   39   14 o   55.027   20.502   44.323   37.731   0.0000   0.0000   44.323   37.731  ?   ?    55.027   20.502 0.000000 20.50182 
1 1 1    3   39   15 o  115.584   13.881  185.755   39.265   73.656   73.342  230.794   46.488   66.576   27.396  128.093   14.806 -61.51704 31.14078 
1 1 1    3   39   16 o   47.094   17.161   29.395   26.191   49.020   56.533   24.031   29.554   59.450   24.210   45.597   17.855 13.85343 30.08169 
1 1 1    3   39   17 o   43.656   16.665   22.489   25.273   32.616   57.765   20.091   28.105   55.759   23.715   43.610   17.306 12.14903 29.35830 
1 1 1    3   39   18 o   55.436   21.284   41.800   41.375   14.091   56.775   73.182   60.420   51.546   22.702   67.291   25.748 -15.74530 34.32680 
1 1 1    3   39   19 o   61.467   17.409   55.721   27.936   78.149   57.164   48.684   32.021   69.122   25.328   57.517   19.095 11.60425 31.71944 
1 1 1    3   39   20 o   56.488   17.657   46.456   27.652   62.409   57.779   41.717   31.493   64.430   25.038   54.264   18.920 10.16536 31.38288 
1 1 1    3   39   21 o   55.236   17.684   43.997   27.591   19.348   55.106   52.243   31.874   52.683   22.794   59.458   19.004 -6.774830 29.67735 
1 1 1    3   39   22 o   36.382   15.321   6.4440   23.722 -10.3121   50.536   11.180   26.866   44.901   20.453   39.874   16.511 5.026997 26.28594 
1 1 1    3   39   23 o  143.648   19.958  305.427   69.659   0.0000   0.0000  305.427   69.659  ?   ?   143.648   19.958 0.000000 19.95830 
1 1 1    3   39   24 o   67.031   17.592   65.927   29.819   21.419   57.340   82.426   34.911   53.994   23.306   74.373   18.791 -20.37939 29.93793 
1 1 1    3   39   25 o   74.004   16.841   79.188   30.421   85.058   56.785   76.825   36.028   72.253   25.394   71.351   19.613 0.9026031 32.08585 
1 1 1    3   39   26 o   91.191   15.396  116.633   33.812  126.638   60.359  112.058   40.817   86.782   25.890   86.700   19.344 0.8216858E-01 32.31824 
1 1 1    3   39   27 o   76.760   23.578   94.734   49.551  100.580   55.401   71.360  110.783   78.058   25.066   71.743   31.648 6.314972 40.37215 
1 1 1    3   39   28 o   72.113   17.259   75.721   30.666   42.157   53.730   91.937   37.346   58.485   23.681   78.403   19.223 -19.91761 30.50060 
1 1 1    3   39   29 o   47.527   16.780   29.792   24.821   23.466   42.121   33.157   30.722   50.109   20.705   50.456   18.556 -0.3465080 27.80328 
1 1 1    3   39   30 o  110.186   13.862  166.126   37.298  137.912   59.691  184.197   47.771   91.184   25.316  113.392   17.429 -22.20844 30.73531 
1 1 1    3   39   31 o  121.933   19.944  220.696   58.628   0.0000   0.0000  220.696   58.628  ?   ?   121.933   19.944 0.000000 19.94420 
1 1 1    3   39   32 o  120.672   18.349  211.456   53.551   0.0000   0.0000  211.456   53.551  ?   ?   120.672   18.349 0.000000 18.34916 
1 1 1    3   39   33 o   50.179   18.147   33.551   29.209   0.0000   0.0000   33.551   29.209  ?   ?    50.179   18.147 0.000000 18.14744 
1 1 1    3   40    1 o   37.811   17.812   10.285   43.490   16.578   49.722 -10.2012   89.717   39.671   18.795   40.733   20.426 -1.062183 27.75726 
1 1 1    3   40    2 o   39.580   18.451   14.161   44.648   11.278   51.321   23.134   90.544   40.097   19.025   44.379   21.967 -4.281967 29.06027 
1 1 1    3   40    3 o   53.653   22.111   70.176   47.865   77.287   57.238   53.639   87.286   53.613   23.214   48.367   23.427 5.245529 32.98031 
1 1 1    3   40    4 o   36.230   16.416   5.9003   32.012 -35.8016   50.856   33.268   41.198   35.366   17.296   45.071   19.605 -9.704975 26.14391 
1 1 1    3   40    5 o   43.293   18.026   27.904   32.279 -18.6970   52.800   55.716   40.789   38.541   18.556   52.744   20.875 -14.20284 27.93019 
1 1 1    3   40    6 o   30.393   14.429 -18.8997   29.593 -34.2380   52.924 -11.9223   35.695   37.188   18.066   34.542   16.229 2.646412 24.28523 
1 1 1    3   40    7 o   39.673   18.223   2.0010   41.241   0.0000   0.0000   2.0010   41.241  ?   ?    39.673   18.223 0.000000 18.22349 
1 1 1    3   40    8 o   54.573   20.863   53.836   39.644   0.0000   0.0000   53.836   39.644  ?   ?    54.573   20.863 0.000000 20.86264 
1 1 1    3   40    9 f   54.678   23.805   51.943   60.850   51.943   60.850   0.0000   0.0000   54.678   23.805  ?   ?  0.000000 23.80464 
1 1 1    3   40   10 o   45.266   18.040   27.993   30.658   48.680   57.529   19.788   36.232   54.507   23.436   43.781   18.705 10.72552 29.98540 
1 1 1    3   40   11 o   71.591   23.607   98.159   48.969   96.138   64.308  100.948   75.545   67.011   26.309   66.592   27.640 0.4195786 38.15932 
1 1 1    3   40   12 o   81.788   17.690  105.035   35.079   87.561   67.559  111.485   41.045   65.160   26.492   81.619   20.238 -16.45950 33.33794 
1 1 1    3   40   13 o   87.706   16.922  117.442   35.720  117.267   69.133  117.506   41.721   73.717   27.695   84.514   20.068 -10.79684 34.20109 
1 1 1    3   40   14 o   49.264   18.083   35.496   29.156  121.265   59.710   8.6441   33.409   78.528   26.076   40.542   17.644 37.98617 31.48469 
1 1 1    3   40   15 o  108.021   15.073  169.013   39.552  115.061   76.691  188.563   46.165   73.214   28.735  112.159   17.017 -38.94542 33.39582 
1 1 1    3   40   16 o   70.821   20.378   82.173   37.979   0.0000   0.0000   82.173   37.979  ?   ?    70.821   20.378 0.000000 20.37845 
1 1 1    3   40   17 o   52.883   18.125   41.916   28.842 -14.0268   60.722   58.214   32.775   46.044   21.482   60.708   19.257 -14.66366 28.84963 
1 1 1    3   40   18 o   38.249   16.072   9.9825   26.010   71.348   58.734  -4.9878   29.010   64.489   25.193   35.086   15.786 29.40354 29.73081 
1 1 1    3   40   19 o   72.709   17.491   79.988   31.370   58.364   62.165   87.375   36.336   61.399   25.239   74.654   19.336 -13.25521 31.79440 
1 1 1    3   40   20 o   46.589   20.128   14.755   42.845   13.061   55.580   17.236   67.260   49.989   22.215   53.631   24.093 -3.641808 32.77161 
1 1 1    3   40   21 o   79.507   17.043   93.780   32.822  115.229   64.717   86.352   38.083   78.577   27.138   73.932   20.099 4.644821 33.77042 
1 1 1    3   40   22 o   85.298   16.614  106.495   34.115   88.919   64.362  113.363   40.232   70.655   26.684   85.977   19.221 -15.32226 32.88609 
1 1 1    3   40   23 o   47.428   17.541   29.655   27.518  110.754   57.118   5.1406   31.403   79.280   25.451   39.577   17.165 39.70303 30.69846 
1 1 1    3   40   24 o  106.336   21.043  176.414   53.901   0.0000   0.0000  176.414   53.901  ?   ?   106.336   21.043 0.000000 21.04344 
1 1 1    3   40   25 o   73.394   17.736   80.596   32.144   56.153   57.922   91.474   38.641   61.616   24.714   76.674   19.980 -15.05759 31.77956 
1 1 1    3   40   26 o   43.908   16.980   22.295   26.473 -32.1105   51.532   41.800   30.855   40.961   19.324   53.805   18.729 -12.84419 26.91089 
1 1 1    3   40   27 o   59.613   18.330   53.335   29.939   35.052   55.580   60.808   35.535   55.799   23.473   62.798   20.065 -6.998562 30.88013 
1 1 1    3   40   28 o  108.498   22.564  187.798   59.143  199.946   68.243  151.140  118.549  108.500   25.600   81.703   34.320 26.79681 42.81668 
1 1 1    3   40   29 o   49.568   17.617   33.811   27.399   92.171   50.252   9.1225   32.685   74.181   23.878   41.544   17.758 32.63725 29.75781 
1 1 1    3   40   30 o  120.920   13.719  201.735   40.694  128.921   63.868  251.497   52.799   84.607   26.886  132.704   16.274 -48.09681 31.42796 
1 1 1    3   40   31 f   65.031   20.503   66.150   37.197   0.0000   0.0000   66.150   37.197  ?   ?    65.031   20.503 0.000000 20.50297 
1 1 1    3   40   32 o   78.318   21.150   97.759   42.334   0.0000   0.0000   97.759   42.334  ?   ?    78.318   21.150 0.000000 21.14969 
1 1 1    3   41    4 o   36.401   17.459  -2.1138   45.714  -7.6137   54.028   11.747   85.769   37.228   18.123   42.098   20.931 -4.870773 27.68675 
1 1 1    3   41    5 o   45.503   20.650   42.727   50.907   11.552   60.934  114.771   92.630   41.368   19.922   52.367   25.046 -10.99947 32.00280 
1 1 1    3   41    6 o   43.840   18.600   33.254   35.384 -18.4719   62.064   58.164   43.069   39.086   19.114   50.977   20.987 -11.89119 28.38660 
1 1 1    3   41    7 o   36.381   17.057  -3.4717   39.073   0.0000   0.0000  -3.4717   39.073  ?   ?    36.381   17.057 0.000000 17.05720 
1 1 1    3   41    8 o   67.883   27.680  145.844   74.025  145.844   74.025   0.0000   0.0000   67.883   27.680  ?   ?  0.000000 27.68014 
1 1 1    3   41    9 o   57.838   23.049   74.352   50.046   0.0000   0.0000   74.352   50.046  ?   ?    57.838   23.049 0.000000 23.04911 
1 1 1    3   41   10 o   53.457   19.504   51.789   33.847   59.103   66.365   49.218   39.349   53.857   24.081   51.897   20.515 1.959587 31.63449 
1 1 1    3   41   11 o   53.980   19.097   51.133   32.164  122.043   64.007   27.179   37.202   70.374   26.603   45.114   19.103 25.25933 32.75077 
1 1 1    3   41   12 o   71.638   20.113   91.183   37.457   30.785   70.025  115.392   44.333   50.945   23.526   78.801   21.795 -27.85567 32.07041 
1 1 1    3   41   13 o   69.871   22.057   91.816   43.038   0.0000   0.0000   91.816   43.038  ?   ?    69.871   22.057 0.000000 22.05679 
1 1 1    3   41   14 o   48.735   18.526   36.440   31.152   11.112   63.741   44.389   35.708   48.141   22.306   52.156   19.833 -4.014275 29.84801 
1 1 1    3   41   15 o   41.453   17.274   17.830   29.673 -21.4883   64.284   28.477   33.450   44.055   21.013   46.227   18.696 -2.171669 28.12648 
1 1 1    3   41   16 f   47.841   18.233   33.327   30.223   1.5751   64.110   42.399   34.271   47.567   22.152   51.958   19.503 -4.390625 29.51457 
1 1 1    3   41   17 o   91.028   23.446  149.337   53.622   0.0000   0.0000  149.337   53.622  ?   ?    91.028   23.446 0.000000 23.44635 
1 1 1    3   41   18 o   25.688   12.431 -32.0925   24.438 -98.1721   56.326 -16.7690   27.124   33.988   16.909   30.591   14.301 3.396276 22.14522 
1 1 1    3   41   19 o   54.039   18.479   45.569   29.979   71.730   62.360   37.705   34.189   62.653   25.461   50.739   19.379 11.91414 31.99700 
1 1 1    3   41   20 o   51.757   18.343   40.495   29.685   3.6808   61.089   51.876   33.965   48.332   22.193   56.983   19.661 -8.650555 29.64948 
1 1 1    3   41   21 o   71.642   24.008   93.191   50.594   44.467   64.327  172.222   81.925   56.967   24.637   87.607   30.517 -30.64061 39.22140 
1 1 1    3   41   22 o   58.691   18.758   54.204   31.054   49.989   59.945   55.750   36.305   58.002   24.387   58.896   20.327 -0.8941994 31.74728 
1 1 1    3   41   23 o   45.928   17.746   27.094   28.897   17.512   57.968   30.262   33.334   50.664   22.590   48.219   18.938 2.444870 29.47850 
1 1 1    3   41   24 o   43.950   17.331   22.803   28.020 -17.7550   58.090   35.101   31.987   44.605   20.876   50.000   18.828 -5.395370 28.11234 
1 1 1    3   41   25 f   44.974   17.587   24.709   28.642   97.281   57.052   0.2541   33.118   72.607   25.457   38.530   17.135 34.07684 30.68641 
1 1 1    3   41   26 o   72.317   21.922   87.827   43.023   0.0000   0.0000   87.827   43.023  ?   ?    72.317   21.922 0.000000 21.92239 
1 1 1    3   41   27 o  108.764   15.752  171.438   41.539   95.399   70.497  211.877   51.411   70.453   27.580  118.825   17.880 -48.37182 32.86831 
1 1 1    3   41   28 o   69.792   18.746   76.186   33.365   61.340   58.598   83.308   40.587   61.538   24.795   71.049   21.238 -9.511517 32.64741 
1 1 1    3   41   29 o   91.637   16.721  124.407   36.853  149.007   62.525  111.311   45.619   89.724   26.243   81.790   21.899 7.933891 34.17989 
1 1 1    3   41   30 o   90.947   37.881  264.393  142.610   0.0000   0.0000  264.393  142.610  ?   ?    90.947   37.881 0.000000 37.88110 
1 1 1    3   41   31 o   58.453   20.770   54.120   38.084   0.0000   0.0000   54.120   38.084  ?   ?    58.453   20.770 0.000000 20.76984 
1 1 1    3   42    8 o   44.445   18.964   38.711   37.151   41.467   69.895   37.625   43.860   45.182   21.648   44.124   19.664 1.058277 29.24562 
1 1 1    3   42    9 o   42.152   18.231   28.535   35.222   41.889   69.666   23.950   40.823   46.370   22.049   41.576   18.715 4.793758 28.92100 
1 1 1    3   42   10 o   37.140   17.143   4.5291   37.123 -29.5471   70.350   17.679   43.702   39.870   19.666   41.295   18.891 -1.425182 27.26952 
1 1 1    3   42   11 o   43.808   19.022   28.840   38.650   0.0000   0.0000   28.840   38.650  ?   ?    43.808   19.022 0.000000 19.02180 
1 1 1    3   42   12 o   46.249   18.726   36.153   33.601   0.8316   66.910   48.064   38.855   43.724   21.011   50.291   20.216 -6.567627 29.15736 
1 1 1    3   42   13 o   95.745   18.550  157.461   42.750   59.570   78.586  198.606   50.948   52.919   24.605  105.306   20.108 -52.38699 31.77623 
1 1 1    3   42   14 o   47.144   20.900   30.766   48.905   89.610   66.975 -36.4445   71.578   59.871   25.502   41.776   20.450 18.09538 32.68832 
1 1 1    3   42   15 o   38.685   16.891   11.504   30.837 -16.1749   66.716   19.023   34.774   43.354   20.870   42.056   18.152 1.298321 27.65946 
1 1 1    3   42   16 o   36.210   16.239   2.5776   30.421   24.056   66.634  -3.0779   34.192   49.179   22.794   36.374   16.666 12.80508 28.23693 
1 1 1    3   42   17 o   68.471   19.938   82.947   36.162   21.231   72.958  103.046   41.636   50.065   23.420   75.048   21.253 -24.98280 31.62570 
1 1 1    3   42   18 o   35.386   15.863   0.6654   28.995  -9.6284   66.456   3.0856   32.224   45.273   21.530   37.452   16.760 7.821541 27.28478 
1 1 1    3   42   19 o   61.829   22.502   72.333   45.010   0.0000   0.0000   72.333   45.010  ?   ?    61.829   22.502 0.000000 22.50185 
1 1 1    3   42   20 o   46.445   18.252   30.651   30.980  -8.4800   64.587   42.344   35.306   45.612   21.553   51.474   19.686 -5.862221 29.19016 
1 1 1    3   42   21 o   50.068   18.682   38.864   31.352   9.6514   64.738   47.815   35.835   48.546   22.489   53.878   19.998 -5.331417 30.09466 
1 1 1    3   42   22 o   48.975   18.745   35.787   32.029   28.017   64.178   38.363   36.961   51.775   23.371   50.476   19.905 1.298447 30.69814 
1 1 1    3   42   23 o   62.369   24.333   74.015   54.737  103.523   66.896   14.235   95.215   69.171   26.924   54.219   25.781 14.95182 37.27683 
1 1 1    3   42   24 o   74.099   19.109   89.934   35.589   56.125   66.095  103.739   42.234   57.929   25.014   77.467   21.211 -19.53791 32.79610 
1 1 1    3   42   25 o   36.863   16.137   4.7028   28.308  -8.8773   57.043   9.1401   32.606   44.457   20.768   40.045   17.430 4.412071 27.11265 
1 1 1    3   42   26 o   87.433   18.077  120.122   38.166  113.502   67.896  123.180   46.147   72.516   27.402   84.399   21.757 -11.88361 34.98917 
1 1 1    3   42   27 o   54.788   20.898   48.216   39.722   0.0000   0.0000   48.216   39.722  ?   ?    54.788   20.898 0.000000 20.89763 
1 1 1    3   42   28 o   66.929   19.505   74.134   34.596   48.429   61.929   85.795   41.711   56.384   24.280   69.974   21.656 -13.58979 32.53448 
1 1 1    3   42   29 o   38.864   17.191   4.2788   32.905   0.0000   0.0000   4.2788   32.905  ?   ?    38.864   17.191 0.000000 17.19082 
1 1 1    3   42   30 o   49.425   19.783   34.132   37.034   0.0000   0.0000   34.132   37.034  ?   ?    49.425   19.783 0.000000 19.78333 
1 1 1    3   43   13 o   38.218   17.155   14.553   34.034   57.213   71.311   1.9695   38.730   48.444   22.817   36.612   17.107 11.83159 28.51726 
1 1 1    3   43   14 o   84.278   20.430  138.525   42.551  177.687   82.241  124.209   49.723   67.724   28.524   71.850   23.793 -4.126640 37.14444 
1 1 1    3   43   15 o   61.399   20.823   78.615   38.064  103.975   77.551   70.567   43.689   56.994   25.712   56.117   21.782 0.8768692 33.69813 
1 1 1    3   43   16 f   42.302   19.802   10.012   52.310  -4.9620   72.656   26.126   75.373   43.570   21.166   47.208   22.582 -3.637486 30.95125 
1 1 1    3   43   17 o   32.955   15.336  -7.7698   30.638  -1.7323   70.384  -9.1812   34.031   44.115   21.287   34.094   15.964 10.02157 26.60759 
1 1 1    3   43   18 f   43.665   18.230   27.489   33.136   33.380   70.095   25.794   37.603   48.970   22.923   43.834   18.898 5.135975 29.70854 
1 1 1    3   43   19 o   63.865   20.466   77.728   36.946  110.762   73.975   66.749   42.645   62.843   26.785   57.444   21.714 5.399384 34.48139 
1 1 1    3   43   20 o   40.794   18.291   11.266   38.571   0.0000   0.0000   11.266   38.571  ?   ?    40.794   18.291 0.000000 18.29093 
1 1 1    3   43   21 o   37.640   16.715   7.1744   31.409 -26.3355   67.202   16.541   35.529   42.318   20.511   41.536   18.133 0.7818108 27.37773 
1 1 1    3   43   22 o   41.666   17.640   19.724   31.714   19.809   66.199   19.699   36.130   48.260   22.487   42.757   18.478 5.502724 29.10484 
1 1 1    3   43   23 o   60.238   20.206   66.102   35.840   16.229   68.466   84.925   42.063   48.320   22.631   66.315   21.879 -17.99523 31.47781 
1 1 1    3   43   24 o   49.477   22.113   31.880   55.900   6.2852   65.727   98.804  106.280   46.700   21.968   60.540   28.303 -13.84068 35.82811 
1 1 1    3   43   25 f   49.636   19.257   39.838   34.131   83.549   64.903   23.129   40.128   61.168   25.523   45.018   19.464 16.14990 32.09800 
1 1 1    3   43   26 o  106.941   17.112  180.918   44.158  180.449   76.287  181.155   54.153   83.999   29.438   99.764   22.298 -15.76418 36.92954 
1 1 1    3   43   27 f   42.332   17.735   20.542   31.520   62.867   61.418   5.4080   36.726   56.880   24.329   39.625   17.802 17.25505 30.14617 
1 1 1    3   43   28 o   52.890   20.927   47.873   40.986   0.0000   0.0000   47.873   40.986  ?   ?    52.890   20.927 0.000000 20.92748 
1 1 1    4  -37    0 o   47.278   21.410   37.266   54.366   59.476   75.489   13.335   78.360   51.279   23.934   45.964   22.247 5.315861 32.67632 
1 1 1    4  -36    0 o   39.709   18.611  -8.2036   46.447 -36.8550   64.698   22.267   66.720   40.973   19.920   48.885   22.710 -7.912777 30.20901 
1 1 1    4  -36    1 o   60.447   23.666   81.096   51.915  113.269   73.325   48.757   73.514   63.915   26.928   52.185   24.101 11.73071 36.13764 
1 1 1    4  -35    0 o   35.448   16.915 -30.1177   41.753   10.924   58.289 -73.3659   59.836   47.777   21.842   37.185   18.302 10.59183 28.49611 
1 1 1    4  -35    1 o   34.379   16.570 -36.9307   42.368 -16.4838   58.512 -59.4673   61.429   42.890   20.340   38.647   18.924 4.242878 27.78148 
1 1 1    4  -35    2 o   75.464   24.294  117.039   52.016   80.575   71.336  158.439   76.011   60.092   25.967   77.713   29.070 -17.62083 38.97919 
1 1 1    4  -35    3 o   44.589   20.148   17.519   47.848   43.315   66.534 -10.1124   68.861   51.687   23.515   44.469   21.354 7.217888 31.76427 
1 1 1    4  -34    0 o   40.976   15.574   20.558   22.012   24.956   23.669  -7.5937   59.885   43.650   16.243   46.638   21.614 -2.988876 27.03685 
1 1 1    4  -34    1 o   48.522   16.776   34.666   24.735   30.489   26.840   58.205   63.715   46.663   17.310   59.502   25.086 -12.83859 30.47887 
1 1 1    4  -34    2 o   35.201   16.738 -28.1590   40.131  -1.6307   54.597 -59.3383   59.189   45.003   20.779   38.610   18.834 6.392868 28.04421 
1 1 1    4  -34    3 o   43.216   19.416   8.2399   43.696   76.282   60.136 -67.8705   63.601   61.945   25.063   38.737   19.026 23.20750 31.46646 
1 1 1    4  -34    4 o   62.954   23.357   78.601   48.869   72.184   67.128   85.836   71.282   59.212   25.383   61.889   26.334 -2.676853 36.57563 
1 1 1    4  -34    5 f   63.662   23.823   86.297   51.055  102.786   71.040   68.682   73.425   63.824   26.673   56.757   25.357 7.067600 36.80252 
1 1 1    4  -33    0 o   39.370   15.050   17.217   20.631   23.024   22.089 -22.4481   57.731   42.922   15.742   45.010   20.982 -2.087997 26.23039 
1 1 1    4  -33    1 o   60.084   16.517   53.562   25.551   63.899   28.081   3.8367   61.587   65.366   17.032   50.080   22.722 15.28529 28.39704 
1 1 1    4  -33    2 o   48.695   16.492   34.139   23.876   36.217   25.853   22.090   62.257   49.951   17.158   52.914   23.514 -2.962700 29.10830 
1 1 1    4  -33    3 o   52.115   21.077   37.308   42.512   28.022   57.736   48.304   62.830   52.431   22.997   57.639   24.629 -5.207592 33.69640 
1 1 1    4  -33    4 o   38.736   17.913 -11.0508   40.805 -19.1683   55.275  -1.3286   60.492   42.603   20.073   46.882   21.725 -4.278553 29.57878 
1 1 1    4  -33    5 o   57.820   22.428   58.485   46.292  103.647   63.921   8.6754   67.130   69.583   26.517   49.173   22.822 20.41007 34.98586 
1 1 1    4  -33    6 o   39.381   19.161 -47.6709   60.156   0.0000   0.0000 -47.6709   60.156  ?   ?    39.381   19.161 0.000000 19.16108 
1 1 1    4  -32    0 f   38.406   14.769   14.997   19.941   15.386   21.348   12.330   55.853   39.298   15.234   52.375   22.804 -13.07703 27.42458 
1 1 1    4  -32    1 o   59.148   18.178   50.848   29.448   49.970   29.794   87.972  193.823   58.677   18.326   79.101   37.366 -20.42431 41.61770 
1 1 1    4  -32    2 o   31.170   13.404   1.4843   18.822   13.670   19.934 -98.6962   57.155   37.364   14.655   35.649   17.610 1.714363 22.91028 
1 1 1    4  -32    3 o   34.790   14.459   7.5910   20.712  -2.0317   22.158   74.198   58.295   32.054   14.146   66.845   25.359 -34.79074 29.03801 
1 1 1    4  -32    4 o   42.820   15.918   23.261   22.722   26.357   24.581   5.0791   59.563   44.864   16.581   49.351   22.374 -4.486954 27.84788 
1 1 1    4  -32    5 o   42.398   20.073 -28.0043   56.516   0.0000   0.0000 -28.0043   56.516  ?   ?    42.398   20.073 0.000000 20.07289 
1 1 1    4  -32    6 o   52.591   23.228   29.555   59.860   29.555   59.860   0.0000   0.0000   52.591   23.228  ?   ?  0.000000 23.22821 
1 1 1    4  -32    7 o   57.043   22.207   55.427   45.515   58.359   62.923   52.208   65.916   58.189   24.750   56.997   24.795 1.191406 35.03369 
1 1 1    4  -32    8 o   39.893   18.680 -12.3682   46.607   51.560   62.492 -92.4965   69.963   55.445   24.131   38.271   19.007 17.17476 30.71754 
1 1 1    4  -31    0 o   26.377   11.917  -7.7710   16.727  -9.2107   17.707   4.1603   50.976   26.774   12.162   49.923   21.760 -23.14906 24.92792 
1 1 1    4  -31    1 o   77.952   14.480   83.001   27.150   94.634   30.544   39.214   59.260   82.976   15.305   60.906   24.793 22.07048 29.13618 
1 1 1    4  -31    2 o  131.783   12.295  230.068   39.995  247.236   47.235  186.584   75.174  135.401   14.180  106.413   27.935 28.98875 31.32762 
1 1 1    4  -31    3 o   54.866   18.249   42.228   29.241   43.984   29.543 -42.1399  204.786   55.783   18.333   72.186   35.173 -16.40353 39.66438 
1 1 1    4  -31    4 o  109.324   13.911  163.957   37.116  212.749   42.787   15.623   74.604  124.630   13.990   57.007   25.508 67.62317 29.09220 
1 1 1    4  -31    5 o   21.435   10.405 -27.2447   17.469 -26.3691   18.395 -35.2922   55.765   22.442   10.842   42.248   19.983 -19.80569 22.73472 
1 1 1    4  -31    6 o   51.637   16.935   38.906   25.213   52.825   27.601 -31.2476   61.966   59.169   17.473   44.496   21.052 14.67344 27.35864 
1 1 1    4  -31    7 o   54.006   21.836   40.571   45.618   21.435   62.733   62.047   66.457   52.569   23.466   61.712   25.795 -9.142895 34.87116 
1 1 1    4  -31    8 o   52.106   21.837   35.471   47.814   68.785   64.232  -5.9323   71.607   62.057   25.599   49.213   23.079 12.84430 34.46656 
1 1 1    4  -31    9 o   51.995   21.785   37.978   47.565   27.278   66.186   49.408   68.403   52.427   23.693   56.788   24.967 -4.361309 34.41935 
1 1 1    4  -30    0 o   45.021   19.022   7.2083   36.758   33.027   50.447 -22.0144   53.669   58.445   23.188   46.389   21.111 12.05605 31.35837 
1 1 1    4  -30    1 o  131.579   12.757  226.466   41.391  317.898   50.025   28.002   73.702  155.967   12.961   63.560   26.899 92.40710 29.85881 
1 1 1    4  -30    2 o  146.933   11.368  280.394   41.388  293.370   49.657  250.871   74.903  149.171   13.476  130.920   23.787 18.25060 27.33903 
1 1 1    4  -30    3 o   86.611   13.907  101.117   29.062  112.276   33.110   63.671   60.652   90.776   15.139   68.486   25.894 22.29090 29.99511 
1 1 1    4  -30    4 o  110.705   46.723  342.281  221.399   0.0000   0.0000  342.281  221.399  ?   ?   110.705   46.723 0.000000 46.72326 
1 1 1    4  -30    5 o   35.527   14.899   5.8208   22.279   5.8208   22.279   0.0000   0.0000   35.527   14.899  ?   ?  0.000000 14.89858 
1 1 1    4  -30    6 o   35.707   14.596   9.0504   20.649   3.0694   21.950   55.035   60.864   34.048   14.553   63.193   25.338 -29.14581 29.21993 
1 1 1    4  -30    7 o   42.694   16.080   21.752   23.334   30.849   25.046 -38.0489   64.218   47.761   16.857   45.070   21.355 2.690453 27.20668 
1 1 1    4  -30    8 o   61.709   22.610   60.547   45.553   99.159   62.161   15.761   66.947   73.735   26.499   53.468   24.027 20.26756 35.76994 
1 1 1    4  -30    9 o   72.469   23.582   92.311   48.924  149.529   67.645   29.550   70.845   87.409   27.659   55.673   24.888 31.73602 37.20758 
1 1 1    4  -30   10 o   82.697   24.174  124.599   53.068  203.750   74.700   43.946   75.405  100.382   28.481   57.693   25.742 42.68977 38.39002 
1 1 1    4  -30   11 o   51.240   21.736   34.620   48.309  106.954   68.691 -36.1696   67.953   70.284   27.304   43.810   21.083 26.47332 34.49635 
1 1 1    4  -29    0 o   87.017   13.003   99.213   27.389  102.010   31.421   90.365   55.884   87.656   14.887   80.306   25.101 7.350151 29.18395 
1 1 1    4  -29    1 o   35.814   14.026   10.495   18.239   12.381   19.676  -1.0192   48.612   37.686   14.621   48.831   21.267 -11.14525 25.80834 
1 1 1    4  -29    2 o   46.584   19.059   14.044   35.239   40.356   47.666 -17.6727   52.333   60.170   22.906   46.733   21.099 13.43679 31.14220 
1 1 1    4  -29    3 o  110.665   23.893  177.703   64.096   0.0000   0.0000  177.703   64.096  ?   ?   110.665   23.893 0.000000 23.89336 
1 1 1    4  -29    4 f   70.319   16.136   68.191   27.734   68.191   27.734   0.0000   0.0000   70.319   16.136  ?   ?  0.000000 16.13596 
1 1 1    4  -29    5 o   91.061   13.551  111.002   29.875  121.978   34.270   76.252   60.979   94.876   14.960   72.714   26.233 22.16217 30.19867 
1 1 1    4  -29    6 o   35.057   14.950   2.7479   23.070   2.7479   23.070   0.0000   0.0000   35.057   14.950  ?   ?  0.000000 14.95048 
1 1 1    4  -29    7 o   47.544   16.425   29.589   23.709   35.455   25.650  -4.8146   62.121   51.080   17.094   51.014   23.013 0.6611252E-01 28.66768 
1 1 1    4  -29    8 o  144.869   12.406  280.905   44.448  298.648   51.666  230.378   87.188  147.936   14.159  113.103   30.272 34.83372 33.41924 
1 1 1    4  -29    9 o   48.717   16.681   32.803   24.431   41.196   26.640 -11.6180   61.287   53.440   17.402   48.067   22.130 5.372288 28.15201 
1 1 1    4  -29   10 o   63.455   22.977   65.251   46.847   65.448   65.799   65.048   66.714   63.978   26.093   63.931   26.197 0.4678726E-01 36.97490 
1 1 1    4  -29   11 o   76.180   23.949  102.885   50.788  183.077   71.711   22.181   71.939   97.177   28.013   54.594   24.684 42.58244 37.33715 
1 1 1    4  -29   12 o   34.205   16.554 -46.8118   43.365   2.5136   61.472 -95.6781   61.185   48.178   22.174   36.217   17.950 11.96146 28.52883 
1 1 1    4  -29   13 o   74.072   28.924  128.674   77.387  128.674   77.387   0.0000   0.0000   74.072   28.924  ?   ?  0.000000 28.92379 
1 1 1    4  -28    0 o  432.632   15.083  2413.44  162.952  2592.44  225.569  2218.08  235.658  442.602   20.409  405.331   23.381 37.27136 31.03555 
1 1 1    4  -28    1 o  199.926   11.333  510.395   56.349  582.279   72.289  399.082   89.956  212.521   13.694  171.808   21.433 40.71312 25.43449 
1 1 1    4  -28    2 o   75.554   24.474   77.981   52.727   0.0000   0.0000   77.981   52.727  ?   ?    75.554   24.474 0.000000 24.47390 
1 1 1    4  -28    3 o   47.075   20.456  -1.0394   44.768  -1.0394   44.768   0.0000   0.0000   47.075   20.456  ?   ?  0.000000 20.45624 
1 1 1    4  -28    4 o   36.949   14.422   11.548   19.236   19.005   20.847 -31.1868   49.905   41.758   15.296   43.051   19.873 -1.293102 25.07836 
1 1 1    4  -28    5 o  123.631   13.211  200.177   40.154  205.787   41.242   98.008  176.001  125.290   13.389   92.443   40.359 32.84750 42.52168 
1 1 1    4  -28    6 o   42.349   15.466   20.207   21.290   6.8886   23.024   98.813   55.933   36.979   15.296   81.635   25.046 -44.65671 29.34787 
1 1 1    4  -28    7 o   59.001   18.661   48.105   30.794   48.105   30.794   0.0000   0.0000   59.001   18.661  ?   ?  0.000000 18.66081 
1 1 1    4  -28    8 f  102.576   14.040  141.837   35.019  165.719   39.788   59.733   73.773  110.574   14.779   68.711   27.774 41.86300 31.46114 
1 1 1    4  -28    9 o   58.005   16.576   47.736   25.209   38.119   27.588   96.397   62.056   52.771   17.728   77.314   26.581 -24.54294 31.95061 
1 1 1    4  -28   10 o  103.614   13.548  146.400   34.216  149.132   38.949  137.163   71.615  103.244   15.593   87.920   28.527 15.32384 32.51021 
1 1 1    4  -28   11 o   56.054   16.934   45.916   25.703   41.629   28.308   66.040   61.332   53.712   17.958   65.130   25.654 -11.41761 31.31515 
1 1 1    4  -28   12 o   36.310   17.131 -28.4510   40.520 -31.0544   57.704 -25.9186   56.912   43.113   20.372   43.588   20.484 -0.4744377 28.88974 
1 1 1    4  -28   13 o   63.898   23.308   69.646   48.331  101.052   69.830   40.770   66.960   71.632   27.613   57.162   24.926 14.47010 37.19928 
1 1 1    4  -28   14 o   50.301   21.371   29.427   46.816  118.028   68.180 -49.6163   64.398   75.133   27.641   41.831   20.228 33.30160 34.25167 
1 1 1    4  -27    0 o  130.914   14.986  222.657   48.109  215.302   53.567  253.329  109.395  127.930   17.204  131.136   33.334 -3.206619 37.51188 
1 1 1    4  -27    1 f  194.917   11.047  483.506   53.547  551.171   69.483  384.546   84.028  207.206   13.502  169.968   20.192 37.23848 24.29076 
1 1 1    4  -27    2 o  192.107   11.698  471.219   55.853  633.001   71.317  214.584   89.822  222.245   12.906  121.612   29.808 100.6332 32.48235 
1 1 1    4  -27    3 o   42.612   15.095   20.713   20.101   41.965   21.976 -88.1227   49.731   56.082   15.277   35.073   17.143 21.00891 22.96213 
1 1 1    4  -27    4 o  114.176   11.592  167.845   32.594  170.629   38.362  160.620   61.803  114.461   13.693  106.925   23.763 7.535362 27.42562 
1 1 1    4  -27    5 o  123.690   17.013  203.758   51.159  250.068   70.341  151.755   74.540  134.859   21.617  101.541   28.325 33.31775 35.63194 
1 1 1    4  -27    6 o  181.963   10.405  423.342   47.082  387.209   57.171  499.491   82.995  172.685   13.362  193.830   17.330 -21.14487 21.88263 
1 1 1    4  -27    7 o   52.867   16.086   37.317   23.134   43.653   25.093   1.4304   59.719   56.774   16.630   53.687   23.472 3.087364 28.76640 
1 1 1    4  -27    8 o  136.711   11.972  243.307   40.458  257.812   46.994  201.769   79.527  139.932   13.621  114.502   28.037 25.42987 31.17098 
1 1 1    4  -27    9 o   27.999   12.873 -13.4626   20.646 -13.4626   20.646   0.0000   0.0000   27.999   12.873  ?   ?  0.000000 12.87337 
1 1 1    4  -27   10 o   50.985   16.778   34.932   24.740   39.914   27.086   9.8505   60.774   54.012   17.545   54.157   23.678 -0.1453209 29.46971 
1 1 1    4  -27   11 o  106.797   13.487  154.048   35.167  157.743   40.433  142.570   71.265  106.768   15.628   91.547   28.302 15.22095 32.33017 
1 1 1    4  -27   12 o   71.676   16.611   74.166   29.151   92.706   32.738   3.2135   64.045   80.187   16.883   52.193   23.472 27.99464 28.91353 
1 1 1    4  -27   13 o   75.091   22.707   92.047   46.199  162.801   66.493   26.016   64.235   96.123   26.731   55.692   24.346 40.43067 36.15631 
1 1 1    4  -27   14 o  109.606   20.828  188.893   54.923  163.132   77.950  214.290   77.398   89.717   29.794  106.680   28.508 -16.96388 41.23585 
1 1 1    4  -27   15 o  118.046   20.831  222.749   59.162  308.153   86.537  147.803   81.065  128.728   27.738   82.004   30.144 46.72414 40.96437 
1 1 1    4  -27   16 o   50.101   21.338   29.121   46.878   53.509   69.602   8.8745   63.419   58.649   25.496   49.479   22.680 9.169216 34.12381 
1 1 1    4  -26    0 o  200.178   10.403  507.782   51.824  491.469   67.977  530.422   80.081  195.767   13.997  202.631   15.955 -6.864105 21.22489 
1 1 1    4  -26    1 f  177.779   12.836  404.255   56.601  444.932   89.670  377.314   72.976  183.619   19.873  170.019   17.435 13.59993 26.43703 
1 1 1    4  -26    2 o  372.072   19.588  1814.57  181.358  1767.50  243.701  1872.99  271.502  359.248   27.371  366.782   29.903 -7.534119 40.53829 
1 1 1    4  -26    3 o  226.960   10.979  653.200   62.224  711.158   81.438  571.901   96.452  235.340   13.919  208.615   18.714 26.72467 23.32266 
1 1 1    4  -26    4 o  133.418   10.850  227.234   35.835  232.960   42.373  212.852   67.153  134.543   12.765  124.841   22.362 9.702332 25.74852 
1 1 1    4  -26    5 o  147.390   10.335  276.727   37.797  241.728   45.210  357.987   68.887  136.763   13.410  165.165   16.942 -28.40135 21.60712 
1 1 1    4  -26    6 o  147.764   10.697  278.871   39.205  265.088   47.227  309.427   70.317  143.148   13.366  152.257   18.901 -9.108521 23.14927 
1 1 1    4  -26    7 o   47.062   19.415   12.150   36.953   44.627   50.073 -26.6911   54.759   62.811   23.575   46.526   21.231 16.28450 31.72632 
1 1 1    4  -26    8 o  186.241   11.845  446.368   54.803  469.433   65.182  390.741  101.228  189.996   13.833  165.872   25.234 24.12491 28.77715 
1 1 1    4  -26    9 o  105.009   12.913  144.568   33.149  145.732   38.010  140.871   67.745  104.606   14.978   96.983   26.985 7.622742 30.86358 
1 1 1    4  -26   10 o  127.282   13.023  212.768   40.811  261.605   47.236   68.968   81.054  140.960   13.587   74.245   29.413 66.71478 32.39975 
1 1 1    4  -26   11 o   30.284   13.644  -8.7930   21.758  -8.7930   21.758   0.0000   0.0000   30.284   13.644  ?   ?  0.000000 13.64446 
1 1 1    4  -26   12 o   56.627   16.453   44.865   24.650   33.367   27.354   94.560   56.866   50.601   17.633   77.955   25.426 -27.35413 30.94248 
1 1 1    4  -26   13 o  146.611   12.087  285.204   43.856  291.331   51.635  269.339   83.090  146.504   14.296  129.005   26.673 17.49988 30.26292 
1 1 1    4  -26   14 o   42.285   16.032   20.508   23.290   11.316   25.475   67.291   57.472   39.210   16.142   66.112   25.156 -26.90240 29.88953 
1 1 1    4  -26   15 o   84.446   22.335  115.676   47.825  124.837   71.765  108.357   64.144   81.227   28.547   77.384   27.001 3.843437 39.29367 
1 1 1    4  -26   16 o   50.944   21.207   29.212   44.661   30.538   66.075   28.097   60.601   55.661   24.503   54.129   23.655 1.532501 34.05842 
1 1 1    4  -26   17 o  117.355   20.728  220.595   58.523  314.504   87.956  145.993   78.395  129.100   28.082   81.802   29.708 47.29791 40.87999 
1 1 1    4  -25    0 o  273.029   16.397  959.832  111.281   0.0000   0.0000  959.832  111.281  ?   ?   273.029   16.397 0.000000 16.39750 
1 1 1    4  -25    1 o  138.783   12.488  246.373   42.815  246.373   42.815   0.0000   0.0000  138.783   12.488  ?   ?  0.000000 12.48777 
1 1 1    4  -25    2 o  150.069   10.466  285.944   38.975  337.628   49.633  202.810   62.949  162.634   12.312  122.885   21.284 39.74931 24.58902 
1 1 1    4  -25    3 o  155.245   15.595  312.206   59.641  345.569   69.396  217.933  116.653  162.731   17.344  121.396   35.941 41.33559 39.90731 
1 1 1    4  -25    4 o  268.798   10.767  914.799   72.270  855.407   95.782  993.304  110.121  257.887   14.937  277.388   15.965 -19.50168 21.86323 
1 1 1    4  -25    5 o  122.110   10.081  189.814   30.467  141.580   35.837  315.546   57.860  104.296   14.123  156.085   15.030 -51.78900 20.62466 
1 1 1    4  -25    6 o   53.881   14.545   38.535   20.027   21.272   21.814  131.133   50.523   43.740   15.700   97.868   21.280 -54.12785 26.44468 
1 1 1    4  -25    7 o  126.770   10.636  205.266   33.358  195.002   39.416  231.173   62.621  122.841   13.049  131.257   19.714 -8.415543 23.64156 
1 1 1    4  -25    8 o  251.065   15.858  820.642   98.910  739.050  138.876  904.636  140.905  231.921   24.342  258.874   22.005 -26.95230 32.81427 
1 1 1    4  -25    9 o  198.983   11.928  508.117   58.995  515.390   70.474  491.084  107.850  199.264   14.257  188.626   23.399 10.63791 27.40005 
1 1 1    4  -25   10 o  105.877   12.833  146.301   33.236  139.913   38.050  166.862   68.264  102.586   15.323  107.038   25.834 -4.451843 30.03652 
1 1 1    4  -25   11 o  121.124   12.095  190.813   36.095  117.804   41.438  420.405   73.484   92.271   18.626  177.376   16.790 -85.10547 25.07619 
1 1 1    4  -25   12 o  163.571   18.954  368.317   75.988  368.317   75.988   0.0000   0.0000  163.571   18.954  ?   ?  0.000000 18.95445 
1 1 1    4  -25   13 o   95.220   13.882  121.742   32.037  132.581   37.164   90.382   63.213   98.570   15.619   77.241   26.812 21.32894 31.02978 
1 1 1    4  -25   14 o   94.542   13.971  121.162   31.989  119.475   36.987  126.172   63.730   92.420   16.638   88.281   26.663 4.139107 31.42855 
1 1 1    4  -25   15 o  101.580   13.783  140.644   34.059  149.967   39.737  114.834   66.116  103.601   15.865   82.215   27.445 21.38530 31.70074 
1 1 1    4  -25   16 o   79.593   22.329  101.232   46.185   88.821   69.040  111.284   62.134   72.194   27.547   79.913   26.603 -7.718849 38.29599 
1 1 1    4  -25   17 o  123.993   18.857  230.308   56.548  256.227   84.566  209.346   76.052  117.833   28.948  106.929   28.110 10.90353 40.35077 
1 1 1    4  -25   18 o   51.457   21.355   31.284   45.090   74.136   72.550   4.3146   57.555   65.333   27.099   48.441   21.974 16.89173 34.88853 
1 1 1    4  -25   19 o   95.466   23.381  158.413   55.298  152.379   85.369  162.775   72.583   80.866   30.686   88.324   28.722 -7.457428 42.03059 
1 1 1    4  -24    0 o  336.646   25.743  1510.97  214.775  1510.97  214.775   0.0000   0.0000  336.646   25.743  ?   ?  0.000000 25.74333 
1 1 1    4  -24    1 o  174.620   9.6325  385.336   41.841  376.953   54.825  397.030   64.750  171.901   12.865  175.825   14.887 -3.924667 19.67559 
1 1 1    4  -24    2 o  274.271   11.136  951.118   76.274  990.814  104.254  905.398  111.885  278.121   15.067  264.912   17.003 13.20871 22.71812 
1 1 1    4  -24    3 o  129.797   9.8619  213.693   31.726  214.233   39.565  212.719   53.097  129.381   12.398  127.549   17.101 1.832672 21.12219 
1 1 1    4  -24    4 f  397.127   13.255  2007.00  131.454  1785.86  181.584  2250.51  190.546  369.940   19.727  416.982   18.299 -47.04208 26.90775 
1 1 1    4  -24    5 o  252.092   15.668  818.531   98.142  761.872  123.198  916.933  162.358  240.447   20.720  260.731   25.253 -20.28406 32.66534 
1 1 1    4  -24    6 f  156.654   10.328  311.606   40.176  256.288   49.881  413.761   67.785  140.864   14.382  178.951   15.316 -38.08678 21.01030 
1 1 1    4  -24    7 o  125.604   10.753  201.241   33.401  190.880   40.048  224.920   60.542  121.588   13.413  130.028   19.225 -8.439674 23.44171 
1 1 1    4  -24    8 o  187.519   10.378  446.644   48.409  409.433   60.427  513.315   80.884  178.395   13.668  198.602   16.457 -20.20769 21.39303 
1 1 1    4  -24    9 o  153.609   10.605  300.696   40.432  250.348   48.763  411.450   72.324  138.933   14.257  177.431   16.513 -38.49846 21.81604 
1 1 1    4  -24   10 o  173.199   15.202  390.678   65.085  461.234   92.617  321.841   91.481  185.416   20.337  151.893   24.987 33.52274 32.21724 
1 1 1    4  -24   11 o  182.054   11.599  425.099   52.455  383.837   62.677  521.572   95.836  171.542   14.776  197.025   19.744 -25.48396 24.66076 
1 1 1    4  -24   12 o  303.186   13.816  1191.20  104.606  1145.44  127.024  1287.62  184.396  293.772   17.393  302.821   24.597 -9.049286 30.12501 
1 1 1    4  -24   13 o  109.998   12.903  158.730   34.770  172.240   40.411  120.213   68.229  113.931   14.535   89.259   27.709 24.67248 31.28985 
1 1 1    4  -24   14 o   74.394   19.692   78.978   37.156   78.978   37.156   0.0000   0.0000   74.394   19.692  ?   ?  0.000000 19.69205 
1 1 1    4  -24   15 o   63.652   16.709   56.973   26.896   65.792   30.728   28.086   55.613   68.016   17.862   57.067   23.703 10.94875 29.67971 
1 1 1    4  -24   16 o   60.805   16.766   52.646   26.280   41.262   29.828   92.129   55.551   54.701   18.434   76.399   25.141 -21.69775 31.17474 
1 1 1    4  -24   17 o  107.257   13.360  156.377   35.008  146.887   41.297  180.611   65.993  101.568   16.874  105.025   25.433 -3.456871 30.52183 
1 1 1    4  -24   18 f  144.673   17.402  302.365   61.608  366.069   93.348  253.205   82.003  147.686   26.274  120.046   27.887 27.63981 38.31522 
1 1 1    4  -24   19 o   88.674   23.158  131.410   51.839  161.254   80.162  109.960   67.961   88.811   30.218   76.213   27.663 12.59744 40.96773 
1 1 1    4  -24   20 o  101.887   22.632  173.193   56.085  191.273   84.342  158.860   75.094   93.825   30.983   87.593   29.249 6.232788 42.60860 
1 1 1    4  -23    0 o  180.996   10.019  413.783   45.107  484.515   60.743  326.827   67.350  195.295   12.521  158.913   17.249 36.38235 21.31443 
1 1 1    4  -23    1 o  240.727   10.353  730.487   62.237  730.448   84.940  730.532   91.453  239.296   14.279  238.895   15.412 0.4003143 21.01030 
1 1 1    4  -23    2 o  294.179   16.281  1110.30  119.137  1232.11  168.178  987.596  168.794  306.547   22.118  272.424   25.094 34.12256 33.45027 
1 1 1    4  -23    3 o  173.607   9.8175  381.003   42.387  376.164   55.219  387.947   66.137  171.713   12.973  173.648   15.412 -1.935043 20.14545 
1 1 1    4  -23    4 o  211.500   10.321  564.500   54.511  539.198   72.601  597.196   82.531  205.262   14.252  215.626   15.429 -10.36360 21.00452 
1 1 1    4  -23    5 o   62.161   12.876   50.823   19.329   41.151   21.870   85.348   41.321   55.833   15.253   79.471   20.638 -23.63725 25.66264 
1 1 1    4  -23    6 o  148.149   15.528  283.982   56.593  313.802   65.184  192.698  114.049  155.253   17.097  115.270   35.831 39.98346 39.70109 
1 1 1    4  -23    7 o  326.578   12.005  1353.30   97.900  1228.10  132.800  1502.34  144.891  308.008   17.336  341.360   16.997 -33.35251 24.27865 
1 1 1    4  -23    8 o  213.957   10.386  578.872   55.490  555.760   71.282  614.422   88.404  208.221   13.787  217.847   16.370 -9.625549 21.40252 
1 1 1    4  -23    9 o  181.286   10.522  417.363   47.431  416.816   59.650  418.303   78.216  180.252   13.347  178.772   17.755 1.480545 22.21241 
1 1 1    4  -23   10 o  363.064   15.155  1696.09  137.399  1659.96  167.530  1770.33  240.141  355.815   18.923  358.833   26.997 -3.018677 32.96834 
1 1 1    4  -23   11 o  165.215   15.185  354.749   61.950  292.082   87.691  417.185   87.529  144.954   25.137  176.742   20.194 -31.78783 32.24384 
1 1 1    4  -23   12 o   93.535   13.359  114.378   30.318   88.168   34.680  199.350   62.443   80.618   17.710  120.549   21.533 -39.93140 27.88059 
1 1 1    4  -23   13 o  295.324   13.738  1125.82  101.312  1186.29  123.644  1002.27  176.731  300.567   16.537  265.632   27.019 34.93527 31.67803 
1 1 1    4  -23   14 o  174.210   11.545  390.971   49.942  349.592   59.679  487.658   91.226  163.075   14.817  189.480   19.561 -26.40483 24.53934 
1 1 1    4  -23   15 o   51.912   18.122   33.801   28.895   33.801   28.895   0.0000   0.0000   51.912   18.122  ?   ?  0.000000 18.12157 
1 1 1    4  -23   16 o   97.277   13.937  126.730   32.889  130.581   38.393  116.115   63.749   97.604   16.329   86.530   26.771 11.07341 31.35784 
1 1 1    4  -23   17 o   62.782   16.695   55.691   26.627   26.758   30.304  153.692   55.772   48.353   18.298  101.157   22.643 -52.80431 29.11240 
1 1 1    4  -23   18 o   98.768   14.110  133.273   33.812  136.000   40.334  126.826   62.016   97.906   17.121   87.585   26.269 10.32081 31.35547 
1 1 1    4  -23   19 f   81.089   21.666  103.111   44.708  102.164   70.728  103.742   57.697   76.333   28.142   78.365   25.614 -2.032120 38.05342 
1 1 1    4  -23   20 o  203.628   16.109  588.953   81.243  788.552  120.304  421.610  110.155  225.270   21.653  151.458   30.184 73.81197 37.14739 
1 1 1    4  -23   21 o   72.005   22.448   87.020   44.727  163.937   74.116   42.966   56.092   90.977   28.969   56.848   23.724 34.12917 37.44397 
1 1 1    4  -23   22 o   92.459   22.244  144.010   50.734  182.970   80.769  118.620   65.202   91.664   30.322   77.027   27.197 14.63722 40.73240 
1 1 1    4  -22    0 o  121.816   9.2808  187.555   28.019  198.157   36.368  172.070   43.952  124.777   11.812  115.325   15.667 9.451416 19.62122 
1 1 1    4  -22    1 o  417.500   14.292  2211.97  149.005  2179.53  209.142  2245.42  212.344  411.025   20.376  417.188   20.383 -6.162781 28.82078 
1 1 1    4  -22    2 o  142.065   9.6711  255.121   34.105  258.283   44.717  250.724   52.733  142.321   12.716  139.532   15.390 2.789276 19.96389 
1 1 1    4  -22    3 o  142.025   13.204  257.797   46.292  191.599   62.403  338.803   69.031  119.801   21.656  161.748   17.362 -41.94711 27.75665 
1 1 1    4  -22    4 o  329.510   12.273  1374.38  100.986  1331.59  139.856  1420.98  145.971  321.666   17.477  332.213   17.659 -10.54663 24.84488 
1 1 1    4  -22    5 o  109.584   10.172  152.679   27.517  155.548   33.702  146.942   47.659  110.127   12.475  105.280   18.819 4.847084 22.57815 
1 1 1    4  -22    6 o  151.955   10.463  292.767   39.462  307.930   50.810  269.716   62.647  155.163   13.240  143.732   17.837 11.43120 22.21416 
1 1 1    4  -22    7 o   75.699   12.708   74.613   23.171   81.551   27.208   56.299   44.205   78.832   14.350   66.931   22.441 11.90156 26.63663 
1 1 1    4  -22    8 o  147.814   15.897  283.118   57.756  320.632   66.144  162.699  118.505  156.952   17.155  107.713   36.740 49.23867 40.54783 
1 1 1    4  -22    9 o  282.185   11.024  1007.76   77.681  850.634  103.343  1211.87  117.783  256.802   16.198  307.519   15.338 -50.71671 22.30746 
1 1 1    4  -22   10 o  180.101   10.191  411.216   45.647  328.918   57.050  557.652   76.099  159.743   14.458  208.205   14.732 -48.46198 20.64114 
1 1 1    4  -22   11 o  399.490   16.443  2060.02  164.039  2115.22  200.508  1948.29  285.256  401.681   19.989  372.512   30.945 29.16849 36.83994 
1 1 1    4  -22   12 o  200.926   11.138  513.931   55.664  424.957   66.676  718.573  101.119  181.271   14.860  234.631   17.382 -53.36003 22.86816 
1 1 1    4  -22   13 o  245.009   15.819  779.844   96.270  739.728  137.171  818.784  135.144  232.917   23.923  246.559   22.187 -13.64166 32.62825 
1 1 1    4  -22   14 o  427.869   17.176  2396.44  183.515  2458.60  224.317  2270.65  319.118  428.571   20.960  392.407   32.869 36.16360 38.98293 
1 1 1    4  -22   15 o  137.118   11.227  241.805   38.105  190.702   45.273  365.952   70.564  120.062   15.459  165.846   17.293 -45.78465 23.19545 
1 1 1    4  -22   16 o  102.339   12.017  136.582   30.126   71.366   35.190  315.566   58.297   71.460   19.276  154.386   15.324 -82.92532 24.62495 
1 1 1    4  -22   17 o  141.857   18.886  277.835   65.238  277.835   65.238   0.0000   0.0000  141.857   18.886  ?   ?  0.000000 18.88559 
1 1 1    4  -22   18 o  171.053   11.513  381.650   48.893  398.924   59.597  346.089   85.509  173.238   13.893  153.629   22.996 19.60883 26.86695 
1 1 1    4  -22   19 o  175.455   11.797  405.239   51.387  447.539   62.990  321.077   88.851  182.613   13.918  143.191   25.797 39.42241 29.31202 
1 1 1    4  -22   20 o   36.944   15.242   8.9622   22.778  -2.9482   26.251   45.246   45.819   34.790   15.373   58.193   22.385 -23.40338 27.15584 
1 1 1    4  -22   21 o   59.843   21.515   53.494   40.978   78.389   68.404   39.559   51.178   68.969   27.116   56.507   23.025 12.46173 35.57326 
1 1 1    4  -22   22 o  130.996   17.972  253.615   57.240  322.614   88.827  204.615   74.855  135.506   27.196  105.597   27.950 29.90914 38.99730 
1 1 1    4  -22   23 o  100.631   27.424  190.816   70.797   0.0000   0.0000  190.816   70.797  ?   ?   100.631   27.424 0.000000 27.42401 
1 1 1    4  -21    0 o  182.450   10.018  419.561   45.466  444.113   62.088  391.171   66.765  187.057   13.380  175.010   15.435 12.04742 20.42698 
1 1 1    4  -21    1 f  352.738   12.622  1570.69  111.179  1544.01  155.752  1598.42  158.753  347.333   18.019  353.400   18.049 -6.066742 25.50403 
1 1 1    4  -21    2 o  194.281   9.4030  474.365   45.619  441.738   61.711  513.680   67.741  186.411   13.345  201.028   13.574 -14.61687 19.03511 
1 1 1    4  -21    3 o  240.632   10.609  729.359   63.750  707.689   87.205  754.232   93.429  235.586   14.900  243.042   15.474 -7.456360 21.48174 
1 1 1    4  -21    4 o  303.783   11.185  1164.14   84.850  1099.78  117.412  1234.50  122.760  293.255   16.095  310.846   15.868 -17.59067 22.60117 
1 1 1    4  -21    5 o   93.008   15.032  112.745   33.721   49.878   45.923  186.309   49.676   65.034   22.837  119.526   17.133 -54.49219 28.54986 
1 1 1    4  -21    6 o  112.562   10.208  160.963   28.382  162.686   35.365  157.846   47.572  112.622   12.802  109.526   18.020 3.095238 22.10509 
1 1 1    4  -21    7 o   76.043   11.555   74.705   21.251   55.917   24.914  124.881   40.714   64.915   15.569   97.274   17.400 -32.35852 23.34859 
1 1 1    4  -21    8 o  360.565   12.498  1648.20  112.534  1556.33  155.328  1749.68  163.261  347.158   17.979  368.686   17.733 -21.52814 25.25250 
1 1 1    4  -21    9 o  376.181   12.846  1796.66  120.672  1578.03  166.087  2041.13  175.624  348.572   19.154  398.030   17.669 -49.45706 26.05919 
1 1 1    4  -21   10 o  149.186   14.877  287.039   54.686  274.695   61.138  336.439  122.306  145.139   17.203  153.236   32.942 -8.097214 37.16348 
1 1 1    4  -21   11 o  187.421   10.185  444.940   47.490  411.913   60.259  499.077   77.151  179.318   13.557  196.601   15.849 -17.28287 20.85660 
1 1 1    4  -21   12 o  140.559   10.592  251.314   36.907  183.018   43.634  422.997   69.182  118.615   15.071  180.913   15.462 -62.29813 21.59208 
1 1 1    4  -21   13 o  290.241   13.031  1074.31   94.446  1014.60  114.777  1199.53  166.209  279.867   16.496  299.984   22.348 -20.11673 27.77643 
1 1 1    4  -21   14 o  188.220   14.740  457.973   68.729  463.374  100.072  453.152   94.557  185.558   22.026  184.106   20.940 1.452316 30.39142 
1 1 1    4  -21   15 o  179.952   11.248  413.596   50.292  347.797   61.085  552.048   88.608  163.456   15.137  204.931   17.482 -41.47459 23.12457 
1 1 1    4  -21   16 o  192.052   11.390  472.391   54.383  512.046   66.560  392.750   94.325  198.997   13.474  168.704   22.988 30.29236 26.64570 
1 1 1    4  -21   17 o  101.361   12.918  134.504   31.954  143.595   38.395  114.020   57.633  103.879   15.256   88.593   24.975 15.28614 29.26599 
1 1 1    4  -21   18 o  187.129   19.793  481.797   91.087  481.797   91.087   0.0000   0.0000  187.129   19.793  ?   ?  0.000000 19.79273 
1 1 1    4  -21   19 o  125.049   12.342  205.334   38.037  222.526   46.063  168.482   67.441  129.030   14.550  104.858   25.906 24.17229 29.71274 
1 1 1    4  -21   20 o   75.301   15.604   78.840   28.378   51.182   33.846  144.296   52.069   60.209   19.615   98.577   21.737 -38.36720 29.27848 
1 1 1    4  -21   21 o   74.328   15.833   78.024   28.488   64.893   34.447  106.439   50.673   66.217   19.511   82.159   23.509 -15.94225 30.55031 
1 1 1    4  -21   22 o   47.403   19.558   20.290   37.502   56.948   65.384   2.3185   45.781   63.851   26.023   45.619   20.223 18.23234 32.95697 
1 1 1    4  -21   23 o   90.438   30.387  162.209   81.053  162.209   81.053   0.0000   0.0000   90.438   30.387  ?   ?  0.000000 30.38689 
1 1 1    4  -21   24 o   68.138   22.602   77.674   44.863 -26.6723   75.787  133.965   55.664   49.047   23.228   87.706   24.482 -38.65862 33.74724 
1 1 1    4  -21   25 o   86.168   31.557  174.978   88.726  174.978   88.726   0.0000   0.0000   86.168   31.557  ?   ?  0.000000 31.55738 
1 1 1    4  -20    0 o  157.027   9.1234  310.244   35.621  311.438   48.129  308.797   52.969  156.827   12.390  155.906   13.746 0.9215088 18.50608 
1 1 1    4  -20    1 f  232.477   13.560  684.135   78.380  621.798  106.282  758.460  116.052  219.961   19.553  243.190   19.268 -23.22821 27.45107 
1 1 1    4  -20    2 o  113.275   9.4904  162.218   26.598  147.202   34.388  184.579   41.964  107.236   13.115  120.013   14.283 -12.77769 19.39061 
1 1 1    4  -20    3 o   99.619   10.072  126.003   24.712  118.269   31.130  139.180   40.636   95.861   13.368  103.480   16.262 -7.619286 21.05131 
1 1 1    4  -20    4 o  536.904   17.308  3677.46  232.061  3500.34  326.706  3857.82  329.680  517.621   25.275  544.366   24.252 -26.74530 35.02865 
1 1 1    4  -20    5 o  240.536   10.520  728.592   63.189  716.114   86.684  742.740   92.306  237.075   14.715  241.230   15.404 -4.154953 21.30241 
1 1 1    4  -20    6 o   41.366   13.377   21.063   15.757   27.399   17.892  -0.8328   33.263   46.372   14.155   41.617   17.855 4.754940 22.78535 
1 1 1    4  -20    7 o  271.345   15.189  940.284  102.506  760.673  143.947  1125.07  146.005  239.730   24.385  294.566   19.967 -54.83574 31.51643 
1 1 1    4  -20    8 o  191.503   9.7440  462.980   46.444  448.170   61.490  482.652   70.867  187.545   13.214  194.199   14.723 -6.654343 19.78303 
1 1 1    4  -20    9 o  265.813   11.009  892.268   73.074  825.477   98.893  972.592  108.450  253.753   15.683  275.444   15.834 -21.69080 22.28602 
1 1 1    4  -20   10 o  186.833   10.264  441.617   47.703  410.595   62.049  486.453   74.595  179.123   13.982  194.543   15.483 -15.41959 20.86213 
1 1 1    4  -20   11 o  110.253   14.477  157.476   38.896  131.886   41.680  330.065  108.243   99.952   17.327  154.054   29.206 -54.10191 33.95878 
1 1 1    4  -20   12 o   79.931   12.556   82.964   24.237   70.325   27.796  123.050   49.502   72.760   15.754   95.261   21.339 -22.50089 26.52469 
1 1 1    4  -20   13 o  122.419   11.146  191.224   33.701  197.183   40.397  177.584   61.116  123.782   13.276  114.453   22.184 9.329185 25.85346 
1 1 1    4  -20   14 o  151.311   11.171  291.628   41.910  339.970   50.988  190.948   73.583  163.005   12.625  117.110   25.853 45.89557 28.77079 
1 1 1    4  -20   15 o  264.227   12.372  888.849   81.632  811.893   99.426  1048.02  142.994  250.466   15.980  281.611   20.474 -31.14534 25.97173 
1 1 1    4  -20   16 o  142.838   15.110  265.592   53.077  256.143   79.109  273.328   71.579  136.148   24.153  142.479   20.726 -6.330994 31.82612 
1 1 1    4  -20   17 o  132.235   11.327  224.343   37.042  187.699   44.509  306.909   66.812  119.543   15.258  152.019   17.946 -32.47626 23.55535 
1 1 1    4  -20   18 o  208.107   11.591  555.911   59.996  504.811   73.403  658.749  104.132  196.435   15.079  221.687   18.994 -25.25183 24.25154 
1 1 1    4  -20   19 o   60.246   16.277   49.607   25.068   59.721   29.837   25.334   46.223   65.752   17.755   54.608   22.015 11.14434 28.28307 
1 1 1    4  -20   20 o  216.447   21.130  657.340  112.755  657.340  112.755   0.0000   0.0000  216.447   21.130  ?   ?  0.000000 21.13048 
1 1 1    4  -20   21 o  190.325   11.799  473.468   55.803  476.321   68.686  467.928   95.710  188.609   14.699  180.066   21.724 8.542862 26.22968 
1 1 1    4  -20   22 o  144.134   22.734  311.975   79.112   0.0000   0.0000  311.975   79.112  ?   ?   144.134   22.734 0.000000 22.73351 
1 1 1    4  -20   23 o   40.423   16.128   15.080   24.528   11.963   28.919   23.070   46.305   41.263   17.112   51.364   21.506 -10.10172 27.48294 
1 1 1    4  -20   24 o  129.758   17.824  244.772   56.229  167.986   87.967  297.820   73.116   91.297   31.633  138.710   21.830 -47.41319 38.43430 
1 1 1    4  -20   25 o   91.852   21.386  134.602   48.137  147.826   80.000  127.098   60.267   85.330   30.126   84.142   26.029 1.187912 39.81333 
1 1 1    4  -20   26 o   65.967   22.679   74.109   45.174   86.909   80.966   68.323   54.434   67.635   28.385   63.266   24.382 4.369678 37.41860 
1 1 1    4  -19    0 f  338.371   12.387  1438.63  104.668  1512.89  147.077  1362.43  148.988  346.028   17.021  327.586   18.286 18.44223 24.98150 
1 1 1    4  -19    1 o  199.213   9.4367  497.517   46.945  497.649   64.488  497.368   68.471  198.451   13.086  198.241   13.920 0.2094421 19.10521 
1 1 1    4  -19    2 o  178.467   9.3100  400.480   41.348  393.099   56.226  409.172   61.016  176.249   12.864  179.677   13.702 -3.427353 18.79431 
1 1 1    4  -19    3 o  182.256   13.531  421.172   61.145  446.095   81.071  388.289   93.121  186.643   17.602  172.749   22.092 13.89456 28.24727 
1 1 1    4  -19    4 o  290.151   11.441  1059.52   82.900  1042.76  115.524  1077.31  119.031  286.271   16.227  290.914   16.452 -4.642761 23.10830 
1 1 1    4  -19    5 o   77.550   10.512   76.992   19.833   84.215   24.019   61.513   35.160   80.833   12.286   68.464   19.580 12.36854 23.11513 
1 1 1    4  -19    6 f  125.439   9.7504  198.978   30.303  205.742   39.310  189.072   47.571  127.050   12.554  120.918   16.159 6.132233 20.46260 
1 1 1    4  -19    7 o  109.371   10.170  151.813   27.457  186.425   34.871   95.337   44.543  121.013   11.685   84.329   21.180 36.68334 24.18966 
1 1 1    4  -19    8 o  180.763   13.378  416.087   59.958  421.490   84.683  410.656   84.904  180.150   19.116  177.677   19.454 2.472809 27.27388 
1 1 1    4  -19    9 o   78.066   11.505   78.546   21.756   81.736   26.189   71.444   39.082   79.184   13.743   73.252   20.537 5.932472 24.71098 
1 1 1    4  -19   10 o  221.685   9.9440  619.065   55.049  500.966   73.007  774.688   83.807  197.819   14.888  246.669   13.659 -48.85092 20.20442 
1 1 1    4  -19   11 o  410.932   13.911  2146.72  142.747  2117.36  198.306  2178.28  205.643  404.553   19.630  409.996   20.086 -5.442902 28.08465 
1 1 1    4  -19   12 o  245.808   10.730  762.888   65.866  714.862   87.919  824.323   99.438  236.263   14.979  253.427   15.791 -17.16357 21.76556 
1 1 1    4  -19   13 o  130.435   17.139  222.145   54.474  222.145   54.474   0.0000   0.0000  130.435   17.139  ?   ?  0.000000 17.13914 
1 1 1    4  -19   14 o  314.465   13.694  1259.52  107.534  1291.55  131.688  1195.42  186.289  316.513   16.720  298.567   25.222 17.94666 30.26090 
1 1 1    4  -19   15 o  166.283   11.051  351.504   45.627  317.768   55.263  423.746   80.870  157.130   14.239  180.032   18.240 -22.90189 23.13935 
1 1 1    4  -19   16 o  125.635   11.529  201.859   35.768  219.114   43.567  166.183   62.646  130.360   13.583  109.902   23.536 20.45821 27.17395 
1 1 1    4  -19   17 o  121.338   15.676  192.639   46.389  202.954   71.224  185.040   61.133  120.997   24.414  116.521   21.811 4.475731 32.73824 
1 1 1    4  -19   18 o  204.394   11.631  533.814   59.118  518.454   72.319  564.754  102.640  200.130   14.571  205.637   20.251 -5.506714 24.94779 
1 1 1    4  -19   19 o  230.599   11.995  682.265   68.832  687.235   84.580  672.519  118.445  229.835   14.816  222.438   21.596 7.396500 26.18915 
1 1 1    4  -19   20 o  143.137   11.253  263.976   39.897  255.479   49.063  280.565   68.550  139.501   14.286  143.282   19.678 -3.780334 24.31703 
1 1 1    4  -19   21 o  138.252   19.216  263.721   64.548  263.721   64.548   0.0000   0.0000  138.252   19.216  ?   ?  0.000000 19.21592 
1 1 1    4  -19   22 o  129.780   15.249  226.968   48.478  226.968   48.478   0.0000   0.0000  129.780   15.249  ?   ?  0.000000 15.24912 
1 1 1    4  -19   23 o  210.365   11.950  581.550   62.516  679.091   77.596  401.133  105.532  225.473   13.848  158.684   27.636 66.78873 30.91158 
1 1 1    4  -19   24 o  150.661   12.097  301.762   45.130  335.519   56.199  240.465   75.730  156.875   14.510  122.347   25.609 34.52755 29.43399 
1 1 1    4  -19   25 o  121.555   17.857  213.928   52.589  278.932   85.990  175.087   66.469  127.459   27.799  101.808   26.040 25.65040 38.09079 
1 1 1    4  -19   26 o  147.709   16.897  314.520   61.205  407.545   97.905  254.844   78.417  155.167   26.200  121.509   26.583 33.65803 37.32417 
1 1 1    4  -19   27 o  131.439   18.324  259.703   58.509  342.634   95.819  210.396   73.883  134.832   29.296  106.494   27.567 28.33818 40.22676 
1 1 1    4  -18    0 o  156.093   8.8459  305.966   34.339  283.531   46.616  332.582   50.775  149.786   12.579  162.303   12.627 -12.51698 17.82363 
1 1 1    4  -18    1 o  517.128   16.668  3372.13  215.240  3274.66  303.485  3470.78  305.313  506.945   23.973  522.146   23.415 -15.20114 33.51115 
1 1 1    4  -18    2 o  144.861   8.8539  263.799   31.875  265.115   42.694  262.142   47.911  144.830   11.910  143.760   13.504 1.069580 18.00603 
1 1 1    4  -18    3 o  252.351   10.140  798.692   63.899  773.804   88.519  825.772   92.334  247.420   14.389  255.590   14.527 -8.170319 20.44666 
1 1 1    4  -18    4 o  237.801   14.645  716.085   86.545  744.489  117.934  682.938  127.400  241.134   19.759  230.040   22.464 11.09341 29.91750 
1 1 1    4  -18    5 o  364.144   13.139  1671.23  119.476  1648.78  167.559  1694.45  170.404  359.505   18.729  364.439   18.788 -4.933411 26.52883 
1 1 1    4  -18    6 o  210.410   10.303  556.332   54.134  575.948   74.216  534.030   79.134  213.063   14.027  204.741   15.595 8.322205 20.97551 
1 1 1    4  -18    7 o  129.269   9.2365  210.881   29.620  183.167   38.173  252.812   46.955  119.773   12.970  140.816   13.519 -21.04311 18.73456 
1 1 1    4  -18    8 o   54.378   12.528   38.810   16.662   43.446   19.461   26.083   32.248   57.465   13.746   51.001   18.963 6.464252 23.42140 
1 1 1    4  -18    9 o   88.601   10.699  100.278   23.192  128.126   28.832   49.230   39.035  100.103   11.758   63.203   21.088 36.89924 24.14460 
1 1 1    4  -18   10 o  130.509   13.283  217.859   42.687  260.900   61.212  177.110   59.560  141.744   17.678  115.274   21.481 26.47041 27.81941 
1 1 1    4  -18   11 o  369.509   13.013  1729.61  120.077  1719.46  166.849  1740.52  172.944  365.887   18.261  367.308   18.919 -1.421112 26.29450 
1 1 1    4  -18   12 o  365.472   12.618  1691.66  115.155  1571.84  159.139  1823.36  166.841  349.134   18.317  376.845   17.729 -27.71085 25.49189 
1 1 1    4  -18   13 o  423.373   14.443  2281.83  152.697  2205.95  212.077  2363.51  220.035  412.200   20.603  426.626   20.654 -14.42633 29.17294 
1 1 1    4  -18   14 o  172.042   17.941  384.878   75.944  384.878   75.944   0.0000   0.0000  172.042   17.941  ?   ?  0.000000 17.94082 
1 1 1    4  -18   15 o  165.647   10.910  348.226   44.876  406.122   54.999  232.910   77.620  178.535   12.413  130.755   24.677 47.78001 27.62316 
1 1 1    4  -18   16 o  148.370   11.001  279.936   40.469  282.055   49.263  275.539   70.971  148.277   13.451  144.156   20.276 4.121078 24.33150 
1 1 1    4  -18   17 o  109.626   11.649  154.041   31.402  162.368   37.904  135.820   56.070  112.006   13.847   99.469   23.028 12.53762 26.87035 
1 1 1    4  -18   18 o   95.570   12.505  118.138   29.128   98.152   35.331  160.553   51.469   85.709   17.107  109.354   19.566 -23.64537 25.98963 
1 1 1    4  -18   19 o  102.898   17.108  140.849   42.416  183.767   67.227  112.466   54.671  114.853   24.203   89.722   23.952 25.13045 34.05145 
1 1 1    4  -18   20 o  164.126   11.444  345.084   46.608  352.349   57.222  330.762   80.340  164.816   14.037  156.052   21.162 8.764038 25.39447 
1 1 1    4  -18   21 o  116.242   22.333  189.592   62.472   0.0000   0.0000  189.592   62.472  ?   ?   116.242   22.333 0.000000 22.33318 
1 1 1    4  -18   22 o   78.398   15.524   83.432   29.316  130.486   35.596 -15.7669   51.684   98.801   14.890   46.529   20.991 52.27205 25.73533 
1 1 1    4  -18   23 o  121.148   19.613  206.127   57.308  206.127   57.308   0.0000   0.0000  121.148   19.613  ?   ?  0.000000 19.61319 
1 1 1    4  -18   24 o  120.259   12.375  191.352   36.634  151.146   45.020  270.151   63.026  103.536   18.070  138.515   18.699 -34.97916 26.00322 
1 1 1    4  -18   25 o  137.673   12.329  252.141   41.937  278.698   52.598  205.797   69.484  142.776   14.975  113.944   25.098 28.83234 29.22616 
1 1 1    4  -18   26 o   69.789   21.580   75.611   41.430   47.570   72.005   89.488   50.654   62.852   26.593   74.354   23.978 -11.50245 35.80646 
1 1 1    4  -18   27 o  152.066   16.414  329.145   61.342  489.805   98.866  228.581   78.219  176.042   23.043  113.851   27.762 62.19016 36.07903 
1 1 1    4  -18   28 o   41.038   18.333  -0.5331   38.374   24.968   75.556  -9.3979   44.548   56.679   25.492   41.682   19.070 14.99705 31.83568 
1 1 1    4  -18   29 o  161.278   17.663  391.193   69.973  422.810  111.648  370.740   89.797  142.480   32.144  144.250   25.879 -1.770554 41.26731 
1 1 1    4  -17    0 o  208.469   10.930  545.789   56.703  489.941   95.890  575.819   70.314  196.120   19.853  213.862   13.231 -17.74190 23.85786 
1 1 1    4  -17    1 f  314.011   16.443  1243.87  128.490  1254.18  181.079  1233.42  182.352  313.715   23.280  310.992   23.658 2.723022 33.19166 
1 1 1    4  -17    2 o  414.438   14.074  2157.80  145.659  2163.90  205.143  2151.59  206.854  413.770   19.854  412.535   20.080 1.235779 28.23767 
1 1 1    4  -17    3 o  274.260   10.576  942.808   72.435  888.847  100.881  1000.24  104.072  265.310   15.291  281.580   14.853 -16.27069 21.31774 
1 1 1    4  -17    4 o  421.291   13.938  2232.71  146.633  2111.66  206.111  2356.75  208.654  408.035   20.228  431.343   19.371 -23.30777 28.00726 
1 1 1    4  -17    5 o  380.695   13.286  1823.41  126.306  1794.82  177.363  1852.83  179.913  375.767   18.963  382.287   18.846 -6.519836 26.73489 
1 1 1    4  -17    6 o  196.157   13.746  487.177   66.907  509.991   89.216  457.854  101.143  199.732   18.083  188.108   21.944 11.62440 28.43510 
1 1 1    4  -17    7 o  131.715   9.4249  218.774   30.795  221.757   40.179  214.525   47.946  132.159   12.316  129.420   15.120 2.739532 19.50179 
1 1 1    4  -17    8 o  265.368   10.668  885.404   70.693  814.677   97.585  963.508  102.549  253.118   15.514  275.513   14.961 -22.39536 21.55254 
1 1 1    4  -17    9 o  365.649   12.545  1687.12  114.549  1652.06  159.910  1724.08  164.167  359.918   17.792  367.641   17.882 -7.722717 25.22516 
1 1 1    4  -17   10 o  122.807   9.7815  190.803   29.748  215.355   38.127  152.598   47.561  130.139   11.862  107.846   18.315 22.29314 21.82122 
1 1 1    4  -17   11 o  387.069   19.274  1924.85  186.304  1899.13  263.868  1950.42  263.080  377.626   28.185  383.132   27.684 -5.506195 39.50647 
1 1 1    4  -17   12 o  379.774   12.940  1825.67  122.716  1609.05  169.727  2062.95  177.638  353.113   19.321  401.314   17.726 -48.20035 26.22038 
1 1 1    4  -17   13 o  302.065   11.505  1152.31   86.781  1080.63  119.017  1233.67  126.806  290.362   16.482  310.328   16.422 -19.96600 23.26649 
1 1 1    4  -17   14 o  281.083   12.525  1000.47   87.913  1132.90  107.939  739.523  151.517  298.405   14.485  234.970   26.272 63.43549 30.00087 
1 1 1    4  -17   15 o  239.417   11.652  724.833   69.665  708.424   85.229  757.864  120.926  235.436   14.568  240.998   20.282 -5.562729 24.97186 
1 1 1    4  -17   16 o  125.425   17.292  205.624   52.719  205.624   52.719   0.0000   0.0000  125.425   17.292  ?   ?  0.000000 17.29152 
1 1 1    4  -17   17 o  121.751   11.036  188.901   33.189  221.144   40.552  123.485   57.760  131.454   12.504   94.813   24.288 36.64167 27.31720 
1 1 1    4  -17   18 o  109.362   11.741  153.270   31.562  181.385   38.627   96.798   54.744  118.683   13.260   84.215   24.534 34.46836 27.88811 
1 1 1    4  -17   19 o  289.393   13.028  1067.03   94.152  1173.22  115.935  861.337  161.355  301.880   15.431  251.557   26.064 50.32352 30.28932 
1 1 1    4  -17   20 o  116.633   16.559  179.161   46.875   74.596   73.341  251.375   60.949   78.125   28.679  137.853   18.146 -59.72825 33.93769 
1 1 1    4  -17   21 o   83.603   17.159   94.204   34.622   94.204   34.622   0.0000   0.0000   83.603   17.159  ?   ?  0.000000 17.15861 
1 1 1    4  -17   22 o  201.304   11.722  520.348   58.668  577.128   72.617  413.627   99.556  210.895   13.866  172.175   23.791 38.71957 27.53649 
1 1 1    4  -17   23 o  179.671   11.620  416.564   51.855  431.567   64.213  388.439   87.921  181.408   14.290  167.108   21.573 14.30011 25.87664 
1 1 1    4  -17   24 o   66.069   20.635   61.437   37.776   61.437   37.776   0.0000   0.0000   66.069   20.635  ?   ?  0.000000 20.63547 
1 1 1    4  -17   25 o   85.409   14.323   99.041   29.467   84.004   36.660  126.487   49.529   76.303   19.243   92.446   21.808 -16.14290 29.08374 
1 1 1    4  -17   26 o  119.790   12.839  191.802   37.807  223.342   47.921  139.803   61.531  127.638   15.342   93.206   25.636 34.43241 29.87566 
1 1 1    4  -17   27 o  150.736   12.074  302.704   45.068  385.296   57.022  165.241   73.564  168.727   13.650   97.056   28.488 71.67097 31.58915 
1 1 1    4  -17   28 o  183.790   16.437  477.853   74.643  473.644  114.998  480.918   98.122  164.636   29.032  175.192   22.983 -10.55544 37.02839 
1 1 1    4  -17   29 o  114.901   19.322  199.984   53.472  209.094   90.349  195.073   66.339  100.013   31.999  106.718   25.281 -6.704727 40.78099 
1 1 1    4  -17   30 o   65.720   22.501   73.414   44.449  178.816   82.960   30.972   52.643   90.531   30.741   52.622   22.516 37.90902 38.10469 
1 1 1    4  -16    0 o  193.211   9.2339  466.935   44.552  476.122   61.915  457.071   64.156  194.525   12.818  190.486   13.576 4.038406 18.67102 
1 1 1    4  -16    1 f  382.839   13.028  1837.01  124.549  1789.30  175.429  1885.50  176.857  377.085   18.630  387.143   18.294 -10.05811 26.10999 
1 1 1    4  -16    2 o  400.994   19.193  2026.00  192.192  1910.66  271.095  2142.56  272.510  386.400   28.292  409.794   26.777 -23.39362 38.95437 
1 1 1    4  -16    3 o  219.328   9.2444  602.039   50.632  585.810   69.749  620.117   73.616  215.718   13.009  221.921   13.346 -6.202682 18.63718 
1 1 1    4  -16    4 o  106.010   8.9531  141.658   23.479  152.239   30.289  125.727   37.166  109.644   11.220   98.807   15.579 10.83734 19.19920 
1 1 1    4  -16    5 o  462.665   14.984  2693.34  173.115  2626.62  243.814  2761.16  245.841  455.074   21.455  466.704   21.094 -11.63058 30.08778 
1 1 1    4  -16    6 o  105.564   9.2923  140.675   24.246  119.567   31.008  173.885   38.894   96.657   13.191  116.822   13.586 -20.16502 18.93640 
1 1 1    4  -16    7 o  646.875   20.184  5318.48  326.041  5015.14  459.790  5625.28  462.403  621.873   29.608  659.865   28.062 -37.99194 40.79322 
1 1 1    4  -16    8 o   93.151   14.532  112.012   32.700  133.136   38.300   55.207   62.807  101.509   15.609   72.217   26.535 29.29166 30.78598 
1 1 1    4  -16    9 o  165.015   8.9288  342.511   36.656  335.729   48.813  351.281   55.511  162.868   12.088  166.350   13.479 -3.482132 18.10529 
1 1 1    4  -16   10 o  416.357   13.615  2189.84  141.563  2110.76  198.146  2272.29  202.319  406.288   19.530  421.709   19.212 -15.42072 27.39566 
1 1 1    4  -16   11 o  283.339   10.963  1010.74   77.566  1009.32  107.050  1012.31  112.546  281.653   15.277  281.796   16.060 -0.1430054 22.16581 
1 1 1    4  -16   12 o  320.819   11.402  1297.56   91.346  1240.01  126.234  1360.82  132.347  311.677   16.275  326.949   16.210 -15.27124 22.97069 
1 1 1    4  -16   13 o  159.495   12.973  323.887   51.224  377.816   73.578  273.167   71.355  171.077   17.468  144.289   20.370 26.78828 26.83409 
1 1 1    4  -16   14 o  259.539   10.652  849.003   69.035  885.516   93.500  805.242  102.360  263.725   14.250  250.645   16.445 13.07997 21.76037 
1 1 1    4  -16   15 o   60.949   13.241   48.864   19.577   48.667   23.390   49.325   35.775   60.654   15.411   62.419   20.153 -1.764709 25.37039 
1 1 1    4  -16   16 o   45.399   14.221   26.004   17.926   31.558   20.994   11.061   34.439   49.745   15.358   46.110   18.850 3.635399 24.31463 
1 1 1    4  -16   17 o  145.880   17.427  276.867   62.228  276.867   62.228   0.0000   0.0000  145.880   17.427  ?   ?  0.000000 17.42708 
1 1 1    4  -16   18 o   72.188   13.804   68.410   23.978  114.337   29.256 -25.5535   41.848   94.110   12.780   40.506   18.514 53.60310 22.49622 
1 1 1    4  -16   19 o  139.939   11.029  249.156   38.228  330.999   47.306   95.135   64.896  161.204   11.834   84.318   27.135 76.88610 29.60299 
1 1 1    4  -16   20 o  184.439   19.904  448.487   90.223   0.0000   0.0000  448.487   90.223  ?   ?   184.439   19.904 0.000000 19.90449 
1 1 1    4  -16   21 o  236.762   12.255  715.183   72.209  808.711   88.741  531.914  124.222  250.893   14.223  196.865   25.897 54.02806 29.54551 
1 1 1    4  -16   22 o   89.866   18.170  109.076   39.374  108.351   64.645  109.503   49.645   87.755   26.927   88.768   22.397 -1.012512 35.02372 
1 1 1    4  -16   23 o  145.190   11.390  270.717   40.965  297.927   50.973  221.096   68.836  151.476   13.621  126.042   22.705 25.43365 26.47753 
1 1 1    4  -16   24 o   65.287   15.941   58.144   25.763   48.132   31.881   76.988   43.738   59.869   18.993   73.925   22.035 -14.05682 29.09089 
1 1 1    4  -16   25 o   45.166   16.514   23.303   24.284   37.413   29.967  -3.6874   41.445   53.847   18.474   44.079   19.405 9.767960 26.79264 
1 1 1    4  -16   26 o   40.610   16.657   10.833   27.003   27.260   34.700 -14.3896   42.997   50.310   19.445   41.961   19.018 8.348789 27.19886 
1 1 1    4  -16   27 o  105.056   13.452  148.535   34.480  194.402   44.051   75.981   55.403  119.307   15.125   70.859   25.065 48.44794 29.27484 
1 1 1    4  -16   28 o  178.222   12.380  422.966   54.755  418.892   68.623  430.106   90.839  173.828   15.988  169.029   22.046 4.799500 27.23295 
1 1 1    4  -16   29 o   96.552   19.810  140.155   46.162  236.907   82.106   95.437   55.819  116.200   28.510   75.563   25.218 40.63755 38.06236 
1 1 1    4  -16   30 o   36.915   16.920 -12.8812   35.286  -2.7416   68.934 -16.4813   41.075   51.346   23.576   39.026   18.020 12.32092 29.67455 
1 1 1    4  -16   31 o   83.092   22.331  115.771   47.329  203.216   84.813   76.226   57.035   97.945   30.968   65.947   25.068 31.99743 39.84259 
1 1 1    4  -15    0 o  131.088   7.6795  215.519   25.029  162.548   34.013  278.080   36.964  113.295   12.215  148.768   10.008 -35.47331 15.79168 
1 1 1    4  -15    1 o  383.964   13.080  1846.72  125.413  1793.68  176.736  1900.52  177.991  377.772   18.735  388.915   18.327 -11.14328 26.20817 
1 1 1    4  -15    2 o  804.826   24.789  8187.95  498.205  8092.58  704.123  8283.57  705.015  795.045   35.466  804.581   35.090 -9.536743 49.89067 
1 1 1    4  -15    3 o  405.460   13.496  2060.87  136.650  1922.90  192.328  2201.53  194.190  390.269   19.799  418.322   18.589 -28.05289 27.15851 
1 1 1    4  -15    4 o  446.782   21.077  2519.36  235.157  2662.61  332.475  2375.97  332.650  456.141   29.344  430.107   31.183 26.03381 42.81900 
1 1 1    4  -15    5 o  148.781   9.3840  278.145   34.686  280.227   46.919  275.635   51.509  148.944   12.737  147.508   14.157 1.435913 19.04391 
1 1 1    4  -15    6 o   86.884   9.3690   95.600   20.006  101.952   24.928   84.103   33.534   89.467   11.418   80.194   17.257 9.272026 20.69213 
1 1 1    4  -15    7 o  327.321   11.483  1343.91   93.860  1267.73  131.182  1423.81  134.351  316.684   16.647  336.183   16.004 -19.49921 23.09152 
1 1 1    4  -15    8 o  490.384   15.408  3031.07  188.678  2864.41  265.555  3200.97  268.126  474.226   22.424  501.755   21.399 -27.52872 30.99632 
1 1 1    4  -15    9 o   38.453   13.666   16.034   16.489   14.592   17.414   28.532   51.276   38.089   13.976   60.083   23.521 -21.99405 27.35984 
1 1 1    4  -15   10 o  538.244   17.384  3674.56  233.664  3650.61  329.363  3698.83  331.548  532.221   24.782  535.724   24.783 -3.503235 35.04765 
1 1 1    4  -15   11 o  145.473   9.4006  266.703   33.967  336.979   45.129  174.864   51.590  163.313   11.132  115.834   18.454 47.47901 21.55211 
1 1 1    4  -15   12 f  101.553   9.5810  130.673   24.010  118.120   30.379  151.562   39.189   95.883   13.025  108.428   14.865 -12.54445 19.76378 
1 1 1    4  -15   13 o  361.756   12.075  1651.00  109.082  1599.70  151.587  1706.08  157.090  354.249   17.136  365.811   17.197 -11.56195 24.27666 
1 1 1    4  -15   14 o  207.848   11.632  546.594   60.131  611.603   98.190  507.583   76.063  217.891   18.213  199.273   15.405 18.61807 23.85404 
1 1 1    4  -15   15 o  266.286   11.884  895.392   79.022  1021.46   97.163  649.089  135.812  283.890   13.706  221.325   25.012 62.56529 28.52089 
1 1 1    4  -15   16 o   96.621   10.669  119.069   25.313  111.040   30.845  135.627   44.296   92.611   13.755  101.408   18.159 -8.796944 22.78061 
1 1 1    4  -15   17 o  143.842   10.564  262.228   37.679  304.972   46.481  180.309   64.347  154.836   12.118  115.675   23.085 39.16103 26.07207 
1 1 1    4  -15   18 o  120.646   10.757  185.072   32.068  210.491   39.549  136.286   54.791  128.343   12.499  100.365   22.426 27.97741 25.67375 
1 1 1    4  -15   19 o  165.616   18.064  357.001   73.496  357.001   73.496   0.0000   0.0000  165.616   18.064  ?   ?  0.000000 18.06378 
1 1 1    4  -15   20 o  234.984   14.946  707.916   87.248  707.916   87.248   0.0000   0.0000  234.984   14.946  ?   ?  0.000000 14.94604 
1 1 1    4  -15   21 o   83.264   13.532   90.442   27.170  124.684   33.583   25.554   46.229   97.909   14.146   56.166   22.225 41.74355 26.34476 
1 1 1    4  -15   22 o  288.510   12.966  1060.84   93.413  1183.28  115.288  826.813  159.387  303.164   15.278  245.973   26.359 57.19133 30.46663 
1 1 1    4  -15   23 o  231.805   14.338  692.831   82.590  894.326  123.016  527.476  111.439  260.435   19.047  197.212   23.064 63.22235 29.91238 
1 1 1    4  -15   24 o  116.558   12.008  175.438   34.451  170.188   43.034  184.807   57.488  113.525   15.592  116.209   20.562 -2.684326 25.80515 
1 1 1    4  -15   25 o  153.143   11.389  302.017   43.242  363.218   54.483  197.843   71.082  167.197   13.155  116.961   25.089 50.23621 28.32900 
1 1 1    4  -15   26 o   93.874   13.463  116.861   30.658  141.940   38.945   75.997   49.713  102.629   15.695   72.996   23.772 29.63330 28.48539 
1 1 1    4  -15   27 o   96.654   21.333  135.954   50.112  135.954   50.112   0.0000   0.0000   96.654   21.333  ?   ?  0.000000 21.33309 
1 1 1    4  -15   28 o   56.167   17.388   44.144   26.887   54.970   34.898   28.330   42.177   61.950   19.894   52.674   21.102 9.275524 29.00149 
1 1 1    4  -15   29 o   86.191   15.568  103.858   32.275  106.265   41.323  100.093   51.682   84.504   19.909   79.358   24.021 5.146950 31.19900 
1 1 1    4  -15   30 o   65.889   17.436   63.650   29.135   79.071   39.375   44.992   43.311   71.661   20.787   57.426   21.841 14.23451 30.15180 
1 1 1    4  -15   31 o   39.090   17.231   0.6261   32.777  -0.3733   70.294   0.9038   37.051   52.311   23.941   41.201   18.232 11.11039 30.09305 
1 1 1    4  -15   32 o   92.735   20.860  137.360   47.137  167.421   89.155  125.696   55.534   86.774   31.656   84.269   24.757 2.505112 40.18660 
1 1 1    4  -15   33 o   57.634   21.465   54.189   41.355  124.988   84.121   31.626   47.490   73.891   29.731   51.059   21.599 22.83192 36.74880 
1 1 1    4  -14    0 o  127.643   11.541  205.525   36.390  213.591   50.425  196.759   52.568  129.565   15.920  124.029   17.455 5.535912 23.62494 
1 1 1    4  -14    1 o  373.319   12.810  1744.90  119.421  1702.93  168.427  1787.32  169.350  368.278   18.314  377.332   17.973 -9.053619 25.65975 
1 1 1    4  -14    2 o  484.846   15.630  2947.66  189.240  2854.33  267.072  3041.77  268.184  476.032   22.467  491.530   21.849 -15.49826 31.33912 
1 1 1    4  -14    3 o   63.567   10.337   51.852   15.844   68.381   20.271   25.893   25.403   73.036   11.494   48.414   16.986 24.62238 20.50953 
1 1 1    4  -14    4 o  274.662   10.580  944.033   72.569  903.966  101.492  985.946  103.803  268.024   15.227  279.995   14.900 -11.97122 21.30361 
1 1 1    4  -14    5 o  579.012   18.303  4216.75  264.640  4186.62  373.638  4247.07  374.879  574.798   26.031  578.966   25.929 -4.168457 36.74121 
1 1 1    4  -14    6 f  272.272   15.177  933.715  102.783  1002.48  145.058  864.378  145.658  281.108   20.812  260.530   22.613 20.57816 30.73244 
1 1 1    4  -14    7 o  105.146   9.0380  139.372   23.500  138.324   30.288  140.958   37.251  104.388   11.828  104.948   14.610 -0.5592575 18.79774 
1 1 1    4  -14    8 o  196.355   8.5202  482.514   41.778  414.785   56.645  563.299   61.864  181.376   12.584  211.613   11.753 -30.23668 17.21926 
1 1 1    4  -14    9 o  348.973   12.127  1528.77  105.678  1524.52  148.094  1533.17  150.848  347.575   17.062  348.500   17.333 -0.9255981 24.32224 
1 1 1    4  -14   10 o   90.060   10.362  103.056   22.879  107.180   29.263   96.572   36.695   91.392   13.205   85.848   17.705 5.544319 22.08722 
1 1 1    4  -14   11 o  392.949   19.411  1963.38  190.469  1970.39  265.332  1955.92  273.585  389.288   27.470  387.274   28.489 2.014221 39.57613 
1 1 1    4  -14   12 o  293.895   11.462  1086.35   84.119  1070.53  116.896  1103.34  121.142  290.269   16.191  294.589   16.534 -4.320068 23.14173 
1 1 1    4  -14   13 o  307.931   11.345  1193.45   87.238  1213.00  121.127  1172.38  125.748  308.920   15.754  303.372   16.663 5.548218 22.93094 
1 1 1    4  -14   14 o  136.300   9.5324  234.519   32.241  261.468   42.318  197.238   49.774  143.535   11.914  123.497   16.557 20.03803 20.39775 
1 1 1    4  -14   15 f  125.382   10.244  199.080   31.794  210.924   38.807  174.900   55.449  128.711   12.220  115.159   20.008 13.55149 23.44440 
1 1 1    4  -14   16 o   85.275   14.875   94.899   30.524   96.067   46.665   94.025   40.353   84.588   21.915   83.922   19.609 0.6659927 29.40678 
1 1 1    4  -14   17 o  124.732   10.327  197.252   31.878  236.030   39.394  123.683   54.260  136.249   11.691   95.662   22.997 40.58654 25.79863 
1 1 1    4  -14   18 f  234.953   11.471  696.973   67.305  811.098   82.948  477.021  115.154  252.681   13.191  189.132   24.994 63.54977 28.26163 
1 1 1    4  -14   19 o  133.148   18.717  232.227   60.515   0.0000   0.0000  232.227   60.515  ?   ?   133.148   18.717 0.000000 18.71713 
1 1 1    4  -14   20 o  128.324   17.652  215.160   55.068  215.160   55.068   0.0000   0.0000  128.324   17.652  ?   ?  0.000000 17.65183 
1 1 1    4  -14   21 o  102.071   12.075  133.723   30.181  142.997   37.433  116.496   51.018  104.947   14.686   92.569   22.328 12.37777 26.72491 
1 1 1    4  -14   22 o  107.821   11.527  148.818   30.557  193.893   38.180   68.495   50.967  122.960   12.613   72.884   24.086 50.07561 27.18846 
1 1 1    4  -14   23 o  137.177   11.086  239.873   37.650  301.371   47.170  131.911   62.498  153.485   12.413   97.318   25.434 56.16690 28.30161 
1 1 1    4  -14   24 o   72.560   14.938   70.049   26.165   76.087   32.806   59.495   43.374   75.030   17.781   67.568   22.214 7.462746 28.45430 
1 1 1    4  -14   25 o  122.814   15.026  197.800   45.122  334.911   75.004  120.032   56.487  158.033   19.414   92.050   24.239 65.98370 31.05575 
1 1 1    4  -14   26 o  165.346   11.162  351.158   45.818  417.058   57.706  238.744   75.368  179.407   12.968  129.568   24.183 49.83904 27.44068 
1 1 1    4  -14   27 o  136.876   11.791  243.202   39.907  289.092   50.415  166.198   65.307  148.323   13.768  106.010   25.064 42.31302 28.59700 
1 1 1    4  -14   28 o  109.180   21.331  171.936   56.071  171.936   56.071   0.0000   0.0000  109.180   21.331  ?   ?  0.000000 21.33071 
1 1 1    4  -14   29 o   40.791   15.897   16.089   23.341   34.972   31.830  -5.8752   34.328   52.384   18.944   39.161   17.428 13.22260 25.74181 
1 1 1    4  -14   30 o   47.450   16.825   28.942   24.980   48.804   33.883   5.2929   36.973   58.556   19.647   43.225   18.686 15.33070 27.11427 
1 1 1    4  -14   31 f   92.283   14.621  118.096   32.571  151.680   44.098   77.780   48.316  102.466   17.885   70.182   23.462 32.28382 29.50093 
1 1 1    4  -14   32 o  153.519   15.755  332.098   59.544  498.297  102.886  248.397   73.015  176.149   24.016  123.166   24.600 52.98381 34.37925 
1 1 1    4  -14   33 o   55.474   20.668   45.479   38.346  100.503   81.073   29.621   43.523   71.949   29.104   50.910   21.043 21.03835 35.91405 
1 1 1    4  -14   34 o   63.018   21.817   67.455   41.840  147.947   88.367   44.196   47.502   78.923   30.883   54.808   22.240 24.11509 38.05733 
1 1 1    4  -13    0 o  545.051   16.997  3725.73  231.340  3584.22  326.847  3867.80  327.481  533.326   24.541  554.201   23.663 -20.87488 34.09130 
1 1 1    4  -13    1 o  235.320   13.920  695.901   81.437  852.789  114.947  537.790  115.394  260.102   17.804  205.464   22.879 54.63828 28.99017 
1 1 1    4  -13    2 o  318.220   11.231  1266.91   89.251  1189.24  125.654  1346.00  126.795  307.527   16.422  327.706   15.494 -20.17828 22.57735 
1 1 1    4  -13    3 o  191.767   8.7369  459.743   41.839  423.893   58.238  497.981   60.147  183.565   12.784  199.097   12.156 -15.53168 17.64106 
1 1 1    4  -13    4 o  139.329   8.1642  243.494   28.282  230.944   38.310  258.527   41.927  135.368   11.440  143.235   11.828 -7.867294 16.45507 
1 1 1    4  -13    5 o  306.745   10.546  1177.25   80.782  1081.39  113.066  1277.20  115.457  293.238   15.496  319.212   14.484 -25.97327 21.21089 
1 1 1    4  -13    6 o  444.306   14.640  2475.48  162.438  2473.78  229.061  2477.20  230.389  443.203   20.697  443.489   20.803 -0.2862244 29.34479 
1 1 1    4  -13    7 o  228.596   13.829  657.641   78.573  618.822  110.635  697.144  111.609  220.697   20.302  234.554   19.224 -13.85707 27.95952 
1 1 1    4  -13    8 o  480.149   15.856  2897.13  190.113  2932.91  268.034  2860.91  269.694  481.598   22.287  475.536   22.711 6.062836 31.81997 
1 1 1    4  -13    9 o  724.560   22.461  6652.30  406.407  6553.16  574.016  6751.94  575.478  713.646   32.210  724.660   31.801 -11.01392 45.26371 
1 1 1    4  -13   10 o  290.922   11.279  1061.32   81.942  1073.44  114.465  1048.58  117.357  291.563   15.780  288.030   16.384 3.533081 22.74737 
1 1 1    4  -13   11 o  281.455   10.973  993.784   77.126  1044.94  107.315  939.130  110.920  287.641   14.992  272.341   16.386 15.30020 22.20960 
1 1 1    4  -13   12 o  324.234   16.640  1332.58  134.279  1269.36  184.513  1403.76  195.786  314.014   23.705  330.220   23.904 -16.20554 33.66510 
1 1 1    4  -13   13 o  224.467   9.6226  632.178   53.938  620.906   73.692  645.184   79.160  221.563   13.382  225.708   14.116 -4.144669 19.45050 
1 1 1    4  -13   14 o  397.627   13.231  1994.70  131.372  2061.72  184.026  1925.05  187.603  402.353   18.316  388.349   19.345 14.00391 26.63996 
1 1 1    4  -13   15 o  162.517   9.1778  332.641   37.094  389.099   49.239  258.548   56.408  175.440   11.299  141.803   16.221 33.63718 19.76869 
1 1 1    4  -13   16 o  311.412   13.321  1226.06  103.591  1273.98  127.064  1131.08  178.885  316.132   16.149  293.852   24.604 22.27957 29.43078 
1 1 1    4  -13   17 o   53.751   16.433   36.960   24.101   55.811   40.093   26.293   30.158   66.352   21.325   50.187   18.396 16.16470 28.16325 
1 1 1    4  -13   18 o  144.497   10.318  264.194   36.984  281.909   45.969  231.682   62.275  148.841   12.483  133.013   19.313 15.82800 22.99624 
1 1 1    4  -13   19 o   96.561   13.833  120.535   32.403  120.535   32.403   0.0000   0.0000   96.561   13.833  ?   ?  0.000000 13.83319 
1 1 1    4  -13   20 o  163.029   10.607  336.445   42.946  384.162   53.308  248.211   72.490  173.845   12.360  136.674   21.985 37.17090 25.22096 
1 1 1    4  -13   21 f  140.894   10.787  251.892   37.665  265.555   46.708  226.488   63.691  144.149   13.119  130.954   20.120 13.19440 24.01952 
1 1 1    4  -13   22 o  154.255   18.014  310.116   68.082  310.116   68.082   0.0000   0.0000  154.255   18.014  ?   ?  0.000000 18.01363 
1 1 1    4  -13   23 o  193.230   11.041  473.584   53.056  571.667   66.252  298.220   88.587  211.883   12.578  148.247   24.806 63.63597 27.81260 
1 1 1    4  -13   24 o   84.102   13.561   92.317   27.511   84.666   34.646  105.375   45.262   79.410   17.899   88.011   20.905 -8.601242 27.52075 
1 1 1    4  -13   25 o  163.411   11.126  340.399   45.131  435.278   56.893  179.362   74.120  184.432   12.425  112.596   26.756 71.83640 29.50048 
1 1 1    4  -13   26 o  153.583   13.131  304.602   49.876  555.530   84.211  169.015   61.902  205.934   16.514  109.985   23.265 95.94892 28.53000 
1 1 1    4  -13   27 o  127.481   11.342  209.426   35.731  274.892   46.697  116.962   55.496  145.522   12.987   90.225   24.152 55.29715 27.42244 
1 1 1    4  -13   28 o   44.839   15.846   23.983   22.138   33.688   30.255   12.799   32.478   52.313   18.521   44.603   18.278 7.709991 26.02087 
1 1 1    4  -13   29 o  135.508   11.277  238.854   37.813  352.603   49.641   81.607   58.365  164.281   12.187   74.637   25.772 89.64336 28.50830 
1 1 1    4  -13   30 o   66.538   22.205   64.256   43.279   64.256   43.279   0.0000   0.0000   66.538   22.205  ?   ?  0.000000 22.20515 
1 1 1    4  -13   31 f  184.056   11.660  446.015   53.314  555.488   69.158  285.657   83.702  203.534   13.686  134.355   25.886 69.17923 29.28175 
1 1 1    4  -13   32 o   31.548   14.180  -7.1663   23.335  -7.1795   33.230  -7.1534   32.775   37.714   16.939   37.469   16.826 0.2450294 23.87568 
1 1 1    4  -13   33 f   49.598   19.355   29.720   34.636 -30.4439   77.053   44.954   38.774   50.216   23.672   56.301   20.821 -6.085117 31.52559 
1 1 1    4  -13   34 o   79.070   21.030  100.603   42.246  243.728   85.211   53.958   48.646  112.357   29.860   59.472   23.013 52.88472 37.69857 
1 1 1    4  -13   35 o   88.037   21.752  129.885   47.544  185.030   94.472  111.181   55.019   86.672   32.411   77.247   24.998 9.424789 40.93157 
1 1 1    4  -12    0 o   73.683   8.4411   68.748   15.251   78.899   21.249   57.963   21.903   78.643   11.131   66.837   13.586 11.80589 17.56370 
1 1 1    4  -12    1 f  893.841   27.239 10088.33  608.004  9781.50  859.375 10395.85  860.322  874.856   39.336  902.517   38.173 -27.66077 54.81356 
1 1 1    4  -12    2 o  415.593   13.598  2162.60  141.124  2029.58  199.138  2296.82  200.025  401.972   19.838  427.757   18.726 -25.78473 27.28027 
1 1 1    4  -12    3 o  570.503   25.242  4103.78  359.617  3774.00  507.525  4436.30  509.632  542.648   37.687  589.633   34.766 -46.98486 51.27323 
1 1 1    4  -12    4 o  121.755   8.5257  186.213   25.758  193.048   35.335  178.461   37.629  123.674   11.576  118.702   12.902 4.971741 17.33398 
1 1 1    4  -12    5 o  303.086   10.709  1149.13   81.054  1079.36  113.762  1221.07  115.512  293.020   15.603  312.159   14.818 -19.13919 21.51856 
1 1 1    4  -12    6 o  520.123   16.535  3393.91  214.759  3339.87  303.160  3448.33  304.273  514.704   23.587  523.057   23.295 -8.352356 33.15092 
1 1 1    4  -12    7 o  409.927   13.763  2105.63  140.883  2057.53  198.490  2154.47  199.995  404.470   19.652  413.934   19.348 -9.464020 27.57792 
1 1 1    4  -12    8 o  675.635   21.125  5752.75  356.424  5696.31  503.465  5809.46  504.656  669.124   30.131  675.831   29.902 -6.707764 42.45030 
1 1 1    4  -12    9 o  741.004   32.888  7032.52  608.571  6728.46  860.164  7337.26  861.135  712.918   48.606  746.429   46.429 -33.51086 67.21747 
1 1 1    4  -12   10 o  409.341   13.380  2102.43  136.769  2078.64  192.389  2126.74  194.469  406.015   18.975  410.689   18.962 -4.673859 26.82575 
1 1 1    4  -12   11 o  135.894   8.7735  232.100   29.614  225.574   39.277  240.699   45.082  133.588   11.898  137.833   13.262 -4.245041 17.81690 
1 1 1    4  -12   12 o  106.477   9.6966  143.214   25.500  146.215   33.280  138.949   39.684  107.161   12.683  103.865   15.798 3.296127 20.25884 
1 1 1    4  -12   13 o  310.399   11.171  1209.48   86.592  1209.38  120.624  1209.59  124.381  309.199   15.674  309.098   16.170 0.1011658 22.51979 
1 1 1    4  -12   14 o  303.957   15.142  1166.84  114.936  1004.90  155.283  1363.06  170.928  279.353   22.449  326.147   21.100 -46.79401 30.80878 
1 1 1    4  -12   15 o  148.878   8.7167  278.889   32.265  277.686   42.609  280.508   49.402  148.116   11.613  148.528   13.466 -0.4119110 17.78164 
1 1 1    4  -12   16 o  334.290   13.567  1411.63  113.256  1535.61  139.031  1167.05  195.268  347.875   16.004  298.126   26.505 49.74899 30.96249 
1 1 1    4  -12   17 o  183.532   10.560  425.167   48.195  448.553   59.303  379.679   82.708  188.085   12.701  171.073   19.722 17.01219 23.45751 
1 1 1    4  -12   18 o   80.294   19.323   85.889   38.277   0.0000   0.0000   85.889   38.277  ?   ?    80.294   19.323 0.000000 19.32340 
1 1 1    4  -12   19 o  215.907   13.264  592.044   71.169  783.391  103.718  421.785   97.836  247.242   16.900  179.164   22.354 68.07849 28.02334 
1 1 1    4  -12   20 o  106.188   10.743  143.505   28.096  156.154   34.924  120.297   47.304  110.373   12.915   94.843   20.565 15.52979 24.28448 
1 1 1    4  -12   21 o  127.159   10.937  205.370   34.390  223.450   42.988  173.230   57.317  132.186   13.200  114.109   20.884 18.07689 24.70576 
1 1 1    4  -12   22 o  186.441   11.010  440.136   51.033  451.909   63.262  418.202   86.352  188.264   13.547  179.032   19.637 9.231644 23.85655 
1 1 1    4  -12   23 o  144.654   18.116  273.074   64.004  273.074   64.004   0.0000   0.0000  144.654   18.116  ?   ?  0.000000 18.11573 
1 1 1    4  -12   24 o  290.747   12.596  1072.45   91.453  1208.06  113.355  819.612  154.783  307.678   14.754  247.186   25.439 60.49190 29.40740 
1 1 1    4  -12   25 o  211.581   10.717  567.596   56.441  740.756   71.260  276.100   92.456  241.676   11.808  141.010   27.242 100.6664 29.69126 
1 1 1    4  -12   26 o  178.267   10.939  404.431   48.460  494.378   61.446  256.433   78.819  196.585   12.583  136.695   23.964 59.88968 27.06637 
1 1 1    4  -12   27 o   55.189   15.912   40.499   23.135  100.924   31.953 -26.0770   33.540   87.201   15.228   34.852   16.160 52.34863 22.20447 
1 1 1    4  -12   28 o   82.616   13.884   90.447   27.627  134.859   37.833   39.704   40.439  100.640   15.556   58.153   21.304 42.48647 26.37837 
1 1 1    4  -12   29 o  129.393   11.401  216.755   36.463  303.993   47.982   97.525   56.095  152.780   12.692   81.674   25.087 71.10574 28.11427 
1 1 1    4  -12   30 o   66.638   15.880   61.429   26.050   56.096   35.457   67.684   38.400   63.318   20.024   68.809   20.678 -5.491306 28.78400 
1 1 1    4  -12   31 o  140.051   21.097  283.463   71.493  283.463   71.493   0.0000   0.0000  140.051   21.097  ?   ?  0.000000 21.09683 
1 1 1    4  -12   32 o   40.395   16.077   14.526   24.319   49.982   34.394 -20.9253   34.391   59.316   19.795   35.447   16.411 23.86859 25.71271 
1 1 1    4  -12   33 o  123.822   12.560  205.525   38.297  279.628   51.935  117.205   56.699  142.798   14.778   84.651   25.056 58.14763 29.08933 
1 1 1    4  -12   34 o  170.034   12.075  387.340   50.937  506.689   67.254  226.778   78.007  192.242   14.108  114.151   27.656 78.09100 31.04703 
1 1 1    4  -12   35 o   50.217   19.870   31.591   36.951  200.665   84.852  -7.9754   41.048   99.236   30.916   40.565   18.461 58.67014 36.00859 
1 1 1    4  -11    0 o  724.996   21.528  6612.07  389.748  6187.79  550.682  7037.90  551.692  698.363   31.577  745.498   29.635 -47.13483 43.30489 
1 1 1    4  -11    1 o  381.964   13.005  1826.48  124.046  1940.20  175.473  1712.88  175.383  393.213   17.870  368.844   19.107 24.36905 26.16130 
1 1 1    4  -11    2 o  285.287   10.721  1018.00   76.379  1022.78  107.794  1013.18  108.240  285.304   15.185  283.942   15.322 1.361542 21.57164 
1 1 1    4  -11    3 o  724.482   22.092  6602.06  399.677  6287.19  564.680  6918.16  565.779  704.119   32.115  739.113   30.654 -34.99371 44.39619 
1 1 1    4  -11    4 o  516.201   16.473  3340.70  212.349  3190.21  299.859  3492.09  300.756  503.312   23.858  526.771   22.863 -23.45874 33.04432 
1 1 1    4  -11    5 o  388.483   18.539  1894.32  179.853  1821.75  253.401  1967.98  255.312  378.940   26.954  394.116   26.089 -15.17569 37.51234 
1 1 1    4  -11    6 o  358.307   12.151  1606.74  108.721  1552.51  153.123  1661.89  154.393  351.774   17.431  363.999   16.986 -12.22488 24.33833 
1 1 1    4  -11    7 o  385.214   12.572  1857.66  120.934  1793.81  170.248  1922.68  171.815  378.011   18.035  391.408   17.578 -13.39627 25.18489 
1 1 1    4  -11    8 o  613.249   19.233  4726.66  294.539  4616.53  415.952  4837.41  417.133  603.974   27.579  618.423   27.011 -14.44910 38.60278 
1 1 1    4  -11    9 o  373.253   12.559  1744.91  117.059  1632.53  164.538  1860.09  166.574  359.940   18.367  384.837   17.333 -24.89731 25.25426 
1 1 1    4  -11   10 o  228.974   10.811  656.332   61.818  721.411  104.824  621.630   76.546  238.894   17.697  222.226   13.863 16.66817 22.48037 
1 1 1    4  -11   11 o  240.069   13.716  725.429   81.887  896.592  116.731  559.589  114.902  266.329   17.652  209.215   22.338 57.11429 28.47072 
1 1 1    4  -11   12 o  152.174   8.1716  290.546   30.939  276.840   41.275  308.121   46.741  148.201   11.237  156.288   12.070 -8.087143 16.49048 
1 1 1    4  -11   13 o  148.188   8.2675  275.698   30.472  258.802   40.479  297.795   46.293  143.194   11.415  153.562   12.172 -10.36861 16.68690 
1 1 1    4  -11   14 o   93.600   9.5678  110.936   22.049  126.925   28.495   87.078   34.808   99.879   11.643   81.459   17.624 18.42038 21.12257 
1 1 1    4  -11   15 o  294.870   15.700  1101.52  115.186  1034.13  156.187  1181.88  170.555  283.624   22.230  303.137   22.695 -19.51334 31.76885 
1 1 1    4  -11   16 o  168.069   9.2883  355.438   38.832  389.307   52.055  312.944   58.308  175.489   11.950  156.635   15.094 18.85400 19.25139 
1 1 1    4  -11   17 o  165.415   10.166  345.090   41.788  388.698   51.687  262.794   71.004  175.286   11.878  141.862   20.649 33.42387 23.82175 
1 1 1    4  -11   18 o  326.256   17.218  1358.91  139.784  1358.91  139.784   0.0000   0.0000  326.256   17.218  ?   ?  0.000000 17.21828 
1 1 1    4  -11   19 o   76.813   11.276   75.873   20.985   76.742   26.086   74.281   35.326   76.686   14.143   74.761   18.909 1.925179 23.61311 
1 1 1    4  -11   20 o  244.307   14.404  759.329   87.488  814.256  126.099  708.351  121.482  250.775   20.311  233.479   21.063 17.29619 29.26031 
1 1 1    4  -11   21 o  271.291   11.901  929.149   80.626  1088.00   99.594  627.072  137.340  293.073   13.608  217.218   25.825 75.85475 29.19134 
1 1 1    4  -11   22 o  118.677   10.709  178.904   31.395  198.107   39.800  147.275   51.079  124.458   12.998  105.257   20.167 19.20072 23.99283 
1 1 1    4  -11   23 o  214.319   10.931  580.870   58.309  659.461   72.669  438.810   97.701  227.865   12.823  182.615   21.859 45.24973 25.34254 
1 1 1    4  -11   24 o  286.521   12.088  1038.76   86.486  1190.14  107.409  759.652  145.846  305.977   14.057  238.947   24.804 67.02972 28.51010 
1 1 1    4  -11   25 o  102.466   13.198  135.430   32.987  195.986   47.113   77.198   46.201  122.868   15.715   76.031   22.643 46.83659 27.56259 
1 1 1    4  -11   26 o  338.384   13.024  1456.59  110.052  1728.45  136.559  952.897  185.881  367.578   14.877  263.331   28.734 104.2473 32.35660 
1 1 1    4  -11   27 o  209.308   10.919  556.846   56.874  667.852   71.873  370.912   93.019  228.606   12.639  165.481   23.143 63.12531 26.36944 
1 1 1    4  -11   28 o   65.808   15.241   58.128   24.554   63.506   32.859   51.328   36.948   68.346   18.707   62.726   20.497 5.619267 27.75031 
1 1 1    4  -11   29 o  105.875   15.413  148.781   39.554  330.059   75.616   80.493   46.410  155.950   19.868   75.828   22.720 80.12253 30.18197 
1 1 1    4  -11   30 o   88.937   13.720  105.037   29.490  145.260   40.064   57.477   43.566  103.912   15.949   65.350   22.276 38.56226 27.39742 
1 1 1    4  -11   31 o  129.409   11.599  218.304   37.087  289.527   49.464  126.860   56.048  148.099   13.524   92.054   24.099 56.04513 27.63461 
1 1 1    4  -11   32 o  132.464   12.020  230.782   39.326  297.666   51.696  138.910   60.588  149.246   14.036   94.523   25.206 54.72224 28.85063 
1 1 1    4  -11   33 o  124.898   12.362  207.169   38.051  356.754   51.681   30.079   56.232  163.895   12.727   56.979   23.764 106.9158 26.95799 
1 1 1    4  -11   34 o   60.753   17.554   53.469   28.129   99.302   40.516   10.818   39.084   81.346   20.069   45.532   19.440 35.81455 27.94039 
1 1 1    4  -11   35 o   37.144   15.896   4.8628   26.248 -10.6807   39.572   17.074   35.074   39.861   18.135   45.354   18.830 -5.493671 26.14257 
1 1 1    4  -11   36 o   32.662   15.268 -20.5287   30.908 -22.4925   80.019 -20.1843   33.509   51.018   24.072   34.244   15.970 16.77389 28.88754 
1 1 1    4  -10    0 o  534.467   24.050  3604.73  320.987  3951.38  454.427  3259.54  453.463  556.124   32.868  503.641   36.299 52.48325 48.96847 
1 1 1    4  -10    1 o  297.802   10.844  1109.58   80.644  1046.74  113.895  1172.77  114.200  288.478   15.871  305.883   14.951 -17.40494 21.80421 
1 1 1    4  -10    2 o  265.418   10.157  881.084   67.323  846.172   95.008  916.294   95.412  259.451   14.725  270.082   14.197 -10.63080 20.45381 
1 1 1    4  -10    3 o  538.580   16.857  3637.91  226.709  3520.35  320.300  3755.93  320.932  528.550   24.267  546.097   23.534 -17.54712 33.80439 
1 1 1    4  -10    4 o  271.620   10.374  922.683   70.367  903.346   99.182  942.281   99.848  268.119   14.872  273.879   14.652 -5.760345 20.87722 
1 1 1    4  -10    5 o  722.338   22.189  6562.99  400.253  6316.47  565.546  6810.38  566.541  705.821   32.087  733.289   30.939 -27.46851 44.57310 
1 1 1    4  -10    6 o  498.556   22.868  3127.92  284.703  3126.42  401.838  3129.43  403.428  495.406   32.665  495.610   32.782 -0.2044373 46.27810 
1 1 1    4  -10    7 o  301.735   10.561  1138.72   79.574  1064.84  111.769  1214.66  113.315  291.096   15.431  311.392   14.572 -20.29663 21.22416 
1 1 1    4  -10    8 o  575.323   18.033  4154.36  259.083  4116.19  365.977  4192.70  366.823  571.157   25.659  576.482   25.481 -5.325195 36.16214 
1 1 1    4  -10    9 o  302.790   10.907  1147.06   82.470  1092.59  115.627  1203.47  117.661  294.771   15.765  309.849   15.207 -15.07794 21.90393 
1 1 1    4  -10   10 o  174.467   8.3444  380.550   36.355  381.284   49.795  379.712   53.201  174.154   11.515  173.705   12.345 0.4488068 16.88162 
1 1 1    4  -10   11 o  140.162   8.8923  246.686   30.963  262.016   41.828  228.103   46.052  144.179   11.719  134.171   13.949 10.00885 18.21805 
1 1 1    4  -10   12 o  374.397   18.013  1764.19  168.410  1961.35  239.024  1569.82  237.321  392.716   24.495  350.362   27.341 42.35385 36.70930 
1 1 1    4  -10   13 o  187.077   9.2502  438.055   43.214  486.155   59.194  383.166   63.233  196.538   12.120  174.031   14.687 22.50665 19.04229 
1 1 1    4  -10   14 o  262.009   9.8832  859.976   64.664  891.169   89.671  826.180   93.338  265.995   13.545  255.891   14.668 10.10373 19.96500 
1 1 1    4  -10   15 o  149.721   9.1262  281.850   33.958  291.343   45.437  269.839   51.111  151.840   12.083  145.745   14.225 6.095032 18.66389 
1 1 1    4  -10   16 o  131.598   9.1988  218.134   30.039  213.733   39.600  224.099   46.101  129.796   12.367  132.622   14.138 -2.826172 18.78378 
1 1 1    4  -10   18 o   57.858   12.904   43.857   18.170   83.582   22.144 -38.0000   31.788   80.744   11.291   31.643   15.002 49.10027 18.77670 
1 1 1    4  -10   19 o  392.613   15.211  1953.74  149.137  2127.30  183.146  1612.11  256.942  408.488   17.954  348.291   29.830 60.19733 34.81645 
1 1 1    4  -10   20 o  124.237   9.8322  195.201   30.255  203.254   37.861  180.974   50.325  126.377   12.147  117.914   17.632 8.463081 21.41112 
1 1 1    4  -10   21 o  228.142   10.746  655.379   61.219  775.067   75.957  433.499  103.418  247.785   12.276  181.426   23.370 66.35861 26.39812 
1 1 1    4  -10   22 o  296.161   14.963  1116.60  110.301  1369.99  159.827  886.171  152.416  325.880   19.733  259.919   23.745 65.96091 30.87394 
1 1 1    4  -10   23 o  207.550   10.444  543.871   53.958  641.943   67.367  368.367   90.119  225.139   12.026  167.252   22.120 57.88658 25.17772 
1 1 1    4  -10   24 o  285.354   12.498  1030.06   89.059  1115.81  110.200  868.593  151.214  295.806   14.967  256.729   23.860 39.07776 28.16547 
1 1 1    4  -10   25 o  311.005   11.927  1223.12   92.627  1510.44  115.243  698.756  155.687  345.049   13.375  227.349   28.015 117.6995 31.04409 
1 1 1    4  -10   26 o  247.744   21.309  805.275  130.546  805.275  130.546   0.0000   0.0000  247.744   21.309  ?   ?  0.000000 21.30871 
1 1 1    4  -10   27 o  223.827   10.864  633.620   60.724  761.329   76.654  418.435   99.502  244.505   12.597  176.746   23.096 67.75967 26.30848 
1 1 1    4  -10   28 o   41.881   15.282   18.685   20.780   1.9509   28.295   38.281   30.618   39.104   16.614   55.540   18.676 -16.43607 24.99633 
1 1 1    4  -10   29 o   75.470   14.376   75.613   26.105   96.724   35.278   50.063   38.810   84.704   17.264   62.497   21.027 22.20716 27.20587 
1 1 1    4  -10   30 o   75.322   17.877   77.823   33.121  213.017   68.397   36.409   37.856  123.113   23.096   56.125   20.604 66.98792 30.95100 
1 1 1    4  -10   31 o   26.409   12.319 -17.5218   19.951  -7.4102   29.503 -26.0430   27.083   36.443   16.191   30.063   14.129 6.379578 21.48885 
1 1 1    4  -10   32 o  102.541   12.657  138.774   31.722  185.439   42.829   82.064   47.214  117.592   14.921   74.904   23.017 42.68787 27.42998 
1 1 1    4  -10   33 o   45.465   16.488   24.758   24.136   23.928   34.843   25.524   33.465   48.962   19.320   49.078   19.060 -0.1154709 27.13947 
1 1 1    4  -10   34 o   52.439   21.168   27.461   42.791   27.461   42.791   0.0000   0.0000   52.439   21.168  ?   ?  0.000000 21.16787 
1 1 1    4  -10   35 f   88.404   15.244  108.882   32.437  191.328   46.646   31.686   45.136  116.811   16.446   53.873   21.742 62.93790 27.26212 
1 1 1    4  -10   36 o  155.161   12.197  322.921   46.879  494.227   64.618  132.583   68.113  190.479   13.676   86.036   27.811 104.4426 30.99154 
1 1 1    4  -10   37 o   36.482   16.550  -8.2180   32.653 -36.7639   83.042  -2.9973   35.513   50.108   23.895   39.226   17.572 10.88194 29.66079 
1 1 1    4   -9    0 o  677.953   20.890  5796.55  353.657  5590.84  499.892  6002.69  500.402  662.214   30.229  686.654   29.183 -24.44000 42.01732 
1 1 1    4   -9    1 o  347.716   12.069  1514.25  104.795  1492.52  148.180  1535.99  148.224  344.669   17.216  349.682   16.974 -5.013306 24.17701 
1 1 1    4   -9    2 o  372.670   18.058  1744.77  168.052  1926.06  237.820  1563.96  237.503  389.796   24.558  350.427   27.358 39.36847 36.76298 
1 1 1    4   -9    3 o  351.774   12.171  1549.04  106.917  1489.84  150.991  1608.58  151.417  344.058   17.633  358.041   16.935 -13.98230 24.44857 
1 1 1    4   -9    4 o  483.013   15.368  2924.13  185.369  2857.67  261.895  2990.86  262.408  476.538   22.008  487.595   21.551 -11.05701 30.80253 
1 1 1    4   -9    5 o  444.175   14.280  2471.11  158.390  2420.78  223.704  2521.70  224.292  438.912   20.410  448.017   20.048 -9.105103 28.60924 
1 1 1    4   -9    6 o  325.952   11.629  1329.25   94.659  1302.19  133.517  1356.59  134.221  321.849   16.670  328.964   16.339 -7.114838 23.34167 
1 1 1    4   -9    7 o  102.410   8.0802  131.893   20.496  138.400   27.831  124.180   30.298  104.638   10.807   98.824   12.561 5.813698 16.57006 
1 1 1    4   -9    8 o  264.608   15.153  880.093   99.709  972.007  139.785  784.886  142.266  277.423   20.319  248.668   23.177 28.75566 30.82281 
1 1 1    4   -9    9 o  351.265   11.846  1543.97  103.913  1466.49  146.257  1622.95  147.664  341.497   17.206  359.774   16.436 -18.27670 23.79450 
1 1 1    4   -9   10 o  217.546   9.3106  591.758   50.580  558.458   70.363  627.365   72.759  210.748   13.440  223.458   13.096 -12.70985 18.76537 
1 1 1    4   -9   11 o   41.940   11.632   22.663   12.608   26.477   15.411   14.942   21.925   45.440   12.951   41.058   15.558 4.381927 20.24322 
1 1 1    4   -9   12 o  223.804   9.7724  626.619   54.616  625.896   75.805  627.399   78.758  223.053   13.675  223.257   14.200 -0.2036743 19.71464 
1 1 1    4   -9   13 o  119.457   8.7184  179.443   25.828  174.430   34.144  186.148   39.489  117.415   11.805  121.132   13.272 -3.717018 17.76232 
1 1 1    4   -9   14 o  229.586   12.891  663.234   73.606  888.394  105.803  452.053  102.466  265.317   16.045  187.717   22.295 77.59999 27.46775 
1 1 1    4   -9   15 o  230.776   9.1299  666.794   52.615  671.653   72.344  661.339   76.661  230.993   12.589  229.074   13.460 1.918671 18.43006 
1 1 1    4   -9   16 o   62.935   12.112   51.399   18.345   39.468   25.730   63.735   26.163   55.782   16.963   69.781   15.424 -13.99945 22.92718 
1 1 1    4   -9   17 o  291.076   15.554  1072.53  112.650  1072.53  112.650   0.0000   0.0000  291.076   15.554  ?   ?  0.000000 15.55424 
1 1 1    4   -9   18 o   98.289   16.610  125.599   39.316  125.599   39.316   0.0000   0.0000   98.289   16.610  ?   ?  0.000000 16.60997 
1 1 1    4   -9   19 o  125.209   9.7840  198.030   30.348  238.471   38.189  128.711   49.998  137.239   11.242   98.485   20.972 38.75364 23.79519 
1 1 1    4   -9   20 o  392.897   14.658  1953.95  143.817  2201.42  176.921  1471.90  246.931  416.049   17.029  332.741   30.042 83.30777 34.53250 
1 1 1    4   -9   21 o  351.251   14.082  1561.31  123.515  1627.95  151.904  1431.27  212.186  357.576   17.012  330.202   25.942 27.37384 31.02206 
1 1 1    4   -9   22 o  204.559   10.639  528.102   54.160  539.246   67.220  507.481   91.438  206.144   13.126  198.322   18.683 7.822113 22.83352 
1 1 1    4   -9   23 o  182.423   11.901  421.639   53.918  621.351   82.525  272.892   71.221  220.725   15.062  144.345   20.321 76.37964 25.29476 
1 1 1    4   -9   24 o  239.798   11.358  725.222   68.016  785.066   84.525  615.292  114.560  248.582   13.669  217.199   21.399 31.38322 25.39250 
1 1 1    4   -9   25 o  134.195   10.108  227.998   33.625  304.430   43.241  111.089   53.479  154.943   11.252   90.611   23.453 64.33220 26.01272 
1 1 1    4   -9   26 o  307.016   12.383  1192.83   94.938  1383.77  117.950  841.532  159.987  329.937   14.316  251.212   25.873 78.72488 29.56961 
1 1 1    4   -9   27 o  102.404   16.183  137.238   40.009  137.238   40.009   0.0000   0.0000  102.404   16.183  ?   ?  0.000000 16.18322 
1 1 1    4   -9   28 o  174.964   10.925  388.639   47.495  453.556   60.747  286.555   76.177  188.444   12.988  146.558   21.449 41.88643 25.07540 
1 1 1    4   -9   29 o   42.703   15.229   20.407   20.491   42.731   29.293  -0.9836   28.675   57.502   18.202   38.369   16.522 19.13287 24.58213 
1 1 1    4   -9   30 o  203.212   10.703  526.169   54.121  668.874   69.345  303.793   86.565  228.520   12.196  147.936   24.275 80.58408 27.16624 
1 1 1    4   -9   31 o  123.957   11.226  197.891   34.373  275.905   46.014   99.399   51.702  145.923   12.756   83.538   23.692 62.38475 26.90771 
1 1 1    4   -9   32 o  100.475   16.314  136.465   39.529  242.088   75.914   97.172   46.301  129.303   24.405   82.251   22.079 47.05241 32.91065 
1 1 1    4   -9   33 o   36.379   14.975   7.3456   21.925   8.1302   32.678   6.7031   29.569   42.809   18.003   40.670   17.115 2.139000 24.83976 
1 1 1    4   -9   34 o   40.036   15.862   13.957   23.576  -1.4426   34.775   27.054   32.071   40.735   17.858   49.226   18.777 -8.491497 25.91296 
1 1 1    4   -9   35 o   73.216   24.468   82.374   52.550   82.374   52.550   0.0000   0.0000   73.216   24.468  ?   ?  0.000000 24.46803 
1 1 1    4   -9   36 o   85.338   16.302  103.023   33.474  191.097   48.971   25.785   45.860  115.997   17.446   52.308   21.609 63.68922 27.77229 
1 1 1    4   -9   37 o   61.271   18.715   56.013   31.269   79.459   47.810   38.487   41.335   70.253   23.333   54.483   21.176 15.77000 31.51015 
1 1 1    4   -9   38 o   46.422   20.583   7.0685   47.453   7.0685   47.453   0.0000   0.0000   46.422   20.583  ?   ?  0.000000 20.58336 
1 1 1    4   -8    0 o  158.165   8.2886  313.819   32.623  301.512   46.152  326.110   46.121  154.612   12.049  160.893   11.556 -6.280731 16.69480 
1 1 1    4   -8    1 o  252.999   9.9038  801.285   62.571  794.688   88.470  807.887   88.508  251.221   14.160  253.323   14.046 -2.101105 19.94494 
1 1 1    4   -8    2 o  221.151   9.3069  611.916   51.398  600.474   72.630  623.395   72.745  218.430   13.380  222.604   13.145 -4.174774 18.75645 
1 1 1    4   -8    3 f  393.408   15.378  1942.03  151.072  1981.46  261.535  1922.29  185.070  394.563   26.701  390.902   18.959 3.661041 32.74734 
1 1 1    4   -8    4 o  252.974   14.239  804.554   89.582  849.722  126.534  759.164  126.843  259.213   19.695  244.713   20.959 14.49989 28.76075 
1 1 1    4   -8    5 o   75.986   7.8521   72.937   14.685   66.310   20.156   80.432   21.438   71.885   11.625   79.412   11.115 -7.526649 16.08367 
1 1 1    4   -8    6 o  215.101   9.1515  578.457   49.157  581.017   69.147  575.842   69.896  215.050   12.936  214.066   13.139 0.9843445 18.43839 
1 1 1    4   -8    7 o  173.396   8.3580  375.797   36.190  341.373   50.617  411.797   51.763  164.698   12.398  181.064   11.508 -16.36615 16.91598 
1 1 1    4   -8    8 o  575.910   17.641  4160.14  253.707  4022.24  358.305  4298.81  359.290  564.909   25.399  584.172   24.629 -19.26257 35.37991 
1 1 1    4   -8    9 o  350.811   14.212  1541.20  124.503  1543.74  152.095  1536.05  216.761  350.844   17.360  348.254   25.093 2.590179 30.51289 
1 1 1    4   -8   10 o  245.134   13.592  754.691   82.874  691.163  114.566  824.420  120.028  233.756   19.813  255.571   18.942 -21.81470 27.41071 
1 1 1    4   -8   11 o  307.852   10.963  1185.62   84.278  1201.27  118.446  1169.57  119.943  309.592   15.321  305.039   15.800 4.553253 22.00845 
1 1 1    4   -8   12 f  439.147   14.211  2416.46  155.838  2269.62  219.503  2565.70  221.286  424.753   20.694  451.781   19.614 -27.02850 28.51285 
1 1 1    4   -8   13 o  258.310   10.032  834.773   64.710  835.057   90.276  834.473   92.803  257.725   14.080  257.582   14.487 0.1426697 20.20185 
1 1 1    4   -8   14 o  500.609   15.591  3146.75  194.908  3122.87  274.807  3170.92  276.484  497.293   22.129  501.113   22.094 -3.820374 31.27081 
1 1 1    4   -8   15 o   45.925   14.518   26.061   18.640   19.035   30.428   30.281   23.583   47.533   18.252   50.069   16.376 -2.536144 24.52174 
1 1 1    4   -8   16 o  225.332   11.168  636.524   62.839  998.376  105.172  435.627   78.365  281.355   15.023  185.141   17.145 96.21439 22.79565 
1 1 1    4   -8   17 o  394.200   14.610  1956.10  143.821  2268.05  176.732  1344.49  247.464  423.945   16.694  320.837   31.285 103.1086 35.46052 
1 1 1    4   -8   18 o  197.309   10.449  489.835   51.303  559.477   63.350  357.134   87.448  210.645   12.094  166.082   21.596 44.56331 24.75187 
1 1 1    4   -8   19 o  122.383   9.6963  189.086   29.391  217.776   36.739  138.087   48.983  131.150   11.329  102.459   19.862 28.69128 22.86542 
1 1 1    4   -8   20 o  169.674   17.518  369.550   73.156  369.550   73.156   0.0000   0.0000  169.674   17.518  ?   ?  0.000000 17.51784 
1 1 1    4   -8   21 o  251.857   11.584  798.710   72.859  873.972   89.933  654.972  124.284  262.659   13.759  224.477   22.473 38.18188 26.35067 
1 1 1    4   -8   22 o  374.241   13.759  1770.92  128.580  2039.54  158.501  1253.89  219.896  400.809   15.836  307.222   29.006 93.58636 33.04708 
1 1 1    4   -8   23 o  161.873   10.154  330.811   40.836  362.652   51.201  275.152   67.694  169.114   12.206  145.445   19.100 23.66931 22.66715 
1 1 1    4   -8   24 o   76.951   11.711   76.327   21.794   66.279   28.567   90.316   33.708   70.779   16.472   82.755   16.883 -11.97543 23.58745 
1 1 1    4   -8   25 o  194.811   12.575  481.525   60.850  649.879   92.716  354.135   80.651  225.198   16.604  164.806   20.007 60.39200 25.99949 
1 1 1    4   -8   26 o  202.542   9.9157  516.303   50.152  666.699   63.655  270.134   81.438  229.931   11.086  142.203   23.773 87.72786 26.23063 
1 1 1    4   -8   27 f   84.544   12.341   92.247   25.288  117.370   33.666   59.723   38.305   95.025   14.659   67.678   20.721 27.34690 25.38205 
1 1 1    4   -8   28 o  193.665   10.143  474.156   48.881  614.464   62.733  257.320   77.986  220.177   11.449  138.366   23.405 81.81105 26.05525 
1 1 1    4   -8   29 o  121.582   19.578  196.466   57.423  196.466   57.423   0.0000   0.0000  121.582   19.578  ?   ?  0.000000 19.57792 
1 1 1    4   -8   30 f   96.456   12.322  120.253   29.002  165.434   39.455   67.144   42.776  112.782   14.333   70.881   21.930 41.90067 26.19795 
1 1 1    4   -8   31 o   67.765   15.032   61.544   24.772   99.980   35.032   23.101   35.035   86.245   16.870   50.194   19.500 36.05136 25.78438 
1 1 1    4   -8   32 o  197.268   10.667  497.808   52.352  662.792   67.796  254.132   82.393  226.998   12.003  132.902   25.756 94.09665 28.41559 
1 1 1    4   -8   33 o   84.108   17.068   97.119   34.623  236.471   72.346   55.721   39.432  128.345   23.436   64.028   21.187 64.31734 31.59361 
1 1 1    4   -8   34 o   70.926   15.704   69.329   27.079  139.066   39.891   9.7314   36.877  100.864   16.401   45.374   19.105 55.49023 25.17941 
1 1 1    4   -8   35 o   57.339   17.078   45.844   26.281   66.071   39.439   29.690   35.246   67.497   21.085   51.317   19.659 16.18025 28.82805 
1 1 1    4   -8   36 o  148.496   11.993  290.869   44.092  421.177   60.779  146.097   64.063  177.340   13.834   95.359   26.129 81.98102 29.56508 
1 1 1    4   -8   37 o   74.109   19.334   81.670   36.156  216.980   63.205   15.854   44.081  119.743   21.946   48.894   20.754 70.84851 30.20512 
1 1 1    4   -8   38 f  155.747   18.629  354.437   71.015  354.437   71.015   0.0000   0.0000  155.747   18.629  ?   ?  0.000000 18.62891 
1 1 1    4   -7    0 o   68.850   7.7836   60.056   13.147   60.212   18.669   59.902   18.519   68.408   11.325   68.237   11.260 0.1707840 15.97026 
1 1 1    4   -7    1 o  302.076   11.068  1143.65   83.491  1121.87  118.048  1165.45  118.099  298.171   15.912  303.983   15.610 -5.811981 22.29048 
1 1 1    4   -7    2 o   91.484   7.6852  105.415   17.394  100.943   24.596  109.889   24.603   89.040   11.317   93.038   10.790 -3.997314 15.63658 
1 1 1    4   -7    3 o  456.130   14.777  2612.70  168.320  2560.29  237.950  2665.19  238.131  450.180   21.167  459.412   20.757 -9.232788 29.64575 
1 1 1    4   -7    4 o  340.484   11.805  1452.09  100.370  1400.27  141.792  1504.14  142.098  333.344   17.091  346.015   16.445 -12.67087 23.71817 
1 1 1    4   -7    5 o  394.059   18.920  1952.42  186.180  2049.75  263.297  1855.09  263.299  401.611   26.401  381.607   27.822 20.00415 38.35422 
1 1 1    4   -7    6 o  408.550   19.222  2097.35  196.111  2348.67  277.643  1847.13  277.044  430.462   25.950  380.721   29.367 49.74057 39.18954 
1 1 1    4   -7    7 o  538.851   16.884  3641.75  227.191  3620.19  321.085  3663.37  321.509  536.030   23.987  539.240   23.876 -3.209595 33.84444 
1 1 1    4   -7    8 o  891.423   26.980 10029.41  600.579  9929.17  849.026 10129.81  849.667  882.041   38.546  891.088   38.184 -9.047729 54.25681 
1 1 1    4   -7    9 o  677.179   21.034  5762.50  355.697  5701.08  502.726  5824.06  503.338  671.351   29.987  678.636   29.701 -7.285706 42.20620 
1 1 1    4   -7   10 o  121.035   8.4426  183.993   25.358  151.740   34.586  221.483   37.289  109.353   12.915  132.576   11.373 -23.22376 17.20891 
1 1 1    4   -7   11 o  483.609   21.586  2940.52  260.688  2680.79  366.938  3205.21  370.425  458.737   32.236  502.529   29.649 -43.79300 43.79803 
1 1 1    4   -7   12 o  494.518   15.869  3065.56  195.972  3111.23  276.744  3019.62  277.550  497.230   22.288  489.785   22.693 7.445251 31.80740 
1 1 1    4   -7   13 o  194.065   8.9986  470.894   43.609  491.990   60.254  447.689   63.195  197.870   12.255  188.579   13.509 9.290634 18.23915 
1 1 1    4   -7   14 o  145.931   8.5027  267.176   30.851  280.855   41.855  250.902   45.652  149.369   11.305  140.915   13.124 8.453644 17.32174 
1 1 1    4   -7   15 o  424.491   17.300  2265.30  183.389   0.0000   0.0000  2265.30  183.389  ?   ?   424.491   17.300 0.000000 17.30031 
1 1 1    4   -7   16 o  300.443   14.898  1133.82  111.776  1133.82  111.776   0.0000   0.0000  300.443   14.898  ?   ?  0.000000 14.89830 
1 1 1    4   -7   17 o  387.578   18.656  1896.56  180.564  1990.44  256.525  1804.37  254.203  394.128   26.213  374.745   27.353 19.38370 37.88578 
1 1 1    4   -7   18 o  196.619   10.181  485.888   49.816  577.241   61.554  312.464   84.811  214.162   11.552  155.176   22.546 58.98672 25.33362 
1 1 1    4   -7   19 o  139.895   9.7570  246.582   33.872  264.116   42.117  214.472   56.994  144.520   11.773  128.888   18.215 15.63200 21.68853 
1 1 1    4   -7   20 o  278.849   12.067  978.202   84.025  1069.77  103.484  801.026  143.948  291.182   14.232  248.756   23.450 42.42603 27.43039 
1 1 1    4   -7   21 o  209.410   18.915  563.098   97.848  563.098   97.848   0.0000   0.0000  209.410   18.915  ?   ?  0.000000 18.91548 
1 1 1    4   -7   22 o   66.184   11.711   56.763   18.647   67.904   24.138   40.270   29.368   72.131   13.905   56.832   18.250 15.29821 22.94352 
1 1 1    4   -7   23 o  194.311   10.125  475.879   48.957  557.645   61.184  330.356   81.624  210.066   11.710  159.088   21.064 50.97833 24.10038 
1 1 1    4   -7   24 o  108.130   9.9033  148.184   26.444  178.245   34.188  103.413   41.722  118.356   11.721   88.213   19.462 30.14301 22.71922 
1 1 1    4   -7   25 o  131.960   9.8693  220.147   32.287  267.399   41.425  147.018   51.534  145.206   11.519  105.302   20.334 39.90427 23.36987 
1 1 1    4   -7   26 o  145.024   11.862  267.108   42.583  480.919   70.922  146.576   53.249  194.137   14.739  104.877   21.064 89.25975 25.70833 
1 1 1    4   -7   27 o   45.090   14.602   25.085   18.771   48.818   25.799  -1.6112   27.362   60.862   16.542   37.527   16.149 23.33408 23.11781 
1 1 1    4   -7   28 o  144.597   10.401  264.814   37.305  319.148   48.509  186.174   58.359  158.375   12.363  118.477   20.465 39.89797 23.91000 
1 1 1    4   -7   29 o   35.993   14.392   8.4092   19.579   68.584   28.513 -45.2783   26.932   71.843   16.271   26.625   12.923 45.21809 20.77855 
1 1 1    4   -7   30 o  110.867   20.047  164.542   53.460  164.542   53.460   0.0000   0.0000  110.867   20.047  ?   ?  0.000000 20.04744 
1 1 1    4   -7   31 o  170.482   10.108  369.039   42.841  536.486   56.935  150.509   65.043  205.314   11.147  103.563   25.354 101.7507 27.69632 
1 1 1    4   -7   32 o   98.324   12.289  125.399   29.514  183.258   40.649   60.889   42.922  118.554   14.001   67.716   22.090 50.83824 26.15331 
1 1 1    4   -7   33 o  109.317   11.698  154.786   31.439  236.752   43.903   68.512   45.041  134.843   13.208   70.576   22.595 64.26749 26.17181 
1 1 1    4   -7   34 o   56.185   18.123   42.142   28.936  174.812   70.621   15.375   31.721  107.912   26.419   45.135   18.223 62.77703 32.09446 
1 1 1    4   -7   35 o   23.431   11.284 -28.1250   19.555   5.7431   32.454 -47.4311   24.503   41.885   17.794   24.029   11.804 17.85630 21.35327 
1 1 1    4   -7   36 o   29.994   13.656 -11.4000   22.487 -10.9354   36.840 -11.6759   28.390   39.420   17.758   34.135   15.463 5.284985 23.54727 
1 1 1    4   -7   37 o   59.083   20.764   48.318   37.966   0.0000   0.0000   48.318   37.966  ?   ?    59.083   20.764 0.000000 20.76399 
1 1 1    4   -7   38 o   63.285   24.780   55.316   56.924   55.316   56.924   0.0000   0.0000   63.285   24.780  ?   ?  0.000000 24.78025 
1 1 1    4   -7   39 o   61.095   18.960   55.933   31.947   42.706   50.747   64.616   41.117   57.483   23.105   64.544   21.643 -7.060902 31.65869 
1 1 1    4   -6    0 o  160.661   11.662  325.318   46.471  319.262   65.851  331.326   65.589  158.333   16.917  161.402   16.505 -3.069611 23.63471 
1 1 1    4   -6    1 o  152.246   8.1063  290.832   30.708  300.458   43.466  281.240   43.390  154.397   11.353  149.301   11.732 5.096268 16.32615 
1 1 1    4   -6    2 o  105.300   7.5616  139.411   19.751  136.374   27.945  142.442   27.920  103.740   10.953  106.085   10.685 -2.344711 15.30102 
1 1 1    4   -6    3 o  210.701   9.0969  555.715   47.864  544.463   67.680  566.974   67.700  207.868   13.105  212.176   12.838 -4.307373 18.34567 
1 1 1    4   -6    4 o  145.513   8.0025  265.653   28.967  278.060   40.925  253.197   41.006  148.562   11.112  141.653   11.697 6.908798 16.13376 
1 1 1    4   -6    5 o  343.467   11.728  1477.89  100.592  1402.46  142.066  1553.73  142.452  333.530   17.115  351.633   16.223 -18.10382 23.58165 
1 1 1    4   -6    6 o  564.368   17.704  4002.69  249.505  4070.77  352.818  3934.58  352.889  567.362   24.902  557.666   25.340 9.696594 35.52831 
1 1 1    4   -6    7 o  549.374   24.823  3809.32  340.549  3985.81  481.774  3633.07  481.445  558.085   34.742  532.064   36.455 26.02161 50.35834 
1 1 1    4   -6    8 o  468.478   15.216  2750.40  178.003  2659.85  251.424  2841.40  252.046  459.799   21.897  475.339   21.234 -15.54016 30.50177 
1 1 1    4   -6    9 o  159.194   8.6039  317.698   34.077  334.958   47.616  299.577   48.790  163.200   11.762  154.184   12.787 9.016815 17.37439 
1 1 1    4   -6   10 o  237.646   9.8277  706.127   58.322  729.759   82.030  681.971   82.937  241.047   13.684  232.928   14.328 8.119781 19.81280 
1 1 1    4   -6   11 o  702.723   20.461  6202.76  359.055  5889.19  506.953  6518.38  508.611  682.469   29.746  718.413   28.351 -35.94409 41.09254 
1 1 1    4   -6   12 o  462.943   15.271  2685.12  176.537  2737.65  249.361  2632.34  249.962  466.681   21.397  457.548   21.877 9.132874 30.60135 
1 1 1    4   -6   13 o  291.751   15.124  1069.41  109.805  1000.77  152.691  1142.92  158.023  281.226   21.915  300.772   21.174 -19.54605 30.47366 
1 1 1    4   -6   14 o  246.609   10.099  760.663   62.195  694.128   86.693  831.226   89.279  234.875   14.857  257.216   13.952 -22.34079 20.38120 
1 1 1    4   -6   15 o  107.131   9.0092  144.538   23.878  165.741   32.103  118.281   35.725  114.510   11.377   95.917   15.439 18.59294 19.17820 
1 1 1    4   -6   16 o  284.297   11.271  1012.10   80.021  1162.82  111.997  854.925  114.373  304.419   14.733  260.149   17.711 44.27060 23.03769 
1 1 1    4   -6   17 o  289.329   10.765  1048.48   77.779  1191.60  108.780  898.789  111.255  308.094   14.139  266.768   16.786 41.32593 21.94738 
1 1 1    4   -6   18 f  198.314   12.145  495.210   59.854  626.244   87.173  378.337   82.327  222.516   15.791  171.956   19.518 50.56027 25.10581 
1 1 1    4   -6   19 o  366.614   14.177  1691.15  129.790  1869.16  159.498  1342.23  223.303  384.881   16.595  321.926   28.058 62.95511 32.59800 
1 1 1    4   -6   20 f   91.792   10.181  106.979   22.944   95.061   28.808  127.651   37.940   85.810   13.921   99.363   15.821 -13.55260 21.07359 
1 1 1    4   -6   21 o  514.809   19.140  3372.07  246.063  3524.80  301.866  3069.65  424.785  524.132   23.063  479.107   35.762 45.02472 42.55432 
1 1 1    4   -6   22 o  184.611   10.112  429.298   46.441  484.548   57.834  328.997   77.924  195.851   11.881  159.337   20.027 36.51463 23.28576 
1 1 1    4   -6   23 o  118.057   16.913  180.474   48.436  180.474   48.436   0.0000   0.0000  118.057   16.913  ?   ?  0.000000 16.91281 
1 1 1    4   -6   24 o   87.074   10.441   96.676   22.251  111.636   29.060   75.476   34.594   93.214   12.824   75.444   18.503 17.77025 22.51271 
1 1 1    4   -6   25 o  106.789   9.9727  144.579   26.287  178.217   34.220   96.156   41.057  118.352   11.733   84.998   19.724 33.35424 22.95008 
1 1 1    4   -6   26 o   95.308   11.002  115.870   25.705  111.899   33.569  121.500   39.966   92.808   14.996   96.258   17.261 -3.449966 22.86489 
1 1 1    4   -6   27 o  164.361   9.9434  341.005   40.620  428.317   52.350  208.913   64.390  183.969   11.452  125.683   21.275 58.28619 24.16163 
1 1 1    4   -6   28 o   39.266   14.361   15.890   18.364  -5.1223   27.473   32.862   24.691   36.472   15.933   51.513   16.752 -15.04115 23.11950 
1 1 1    4   -6   29 o   85.832   12.376   95.029   25.759  114.630   34.948   71.714   38.115   93.696   15.477   73.342   20.178 20.35466 25.43018 
1 1 1    4   -6   30 o  165.665   10.018  347.210   41.248  475.643   54.383  173.243   63.293  193.675   11.293  113.071   23.194 80.60433 25.79717 
1 1 1    4   -6   31 o  130.755   11.139  217.945   36.026  250.133   47.940  176.188   54.603  139.370   13.962  114.882   19.745 24.48824 24.18308 
1 1 1    4   -6   32 o   79.165   21.666   85.999   44.078   85.999   44.078   0.0000   0.0000   79.165   21.666  ?   ?  0.000000 21.66589 
1 1 1    4   -6   33 o  149.848   10.808  287.163   40.172  383.558   53.998  167.685   60.117  172.589   12.616  109.654   22.702 62.93509 25.97206 
1 1 1    4   -6   34 o   87.667   13.409  101.430   28.421  200.987   41.555   13.930   38.957  123.911   13.656   48.312   19.933 75.59851 24.16276 
1 1 1    4   -6   35 o   46.824   16.382   26.806   23.619   46.044   36.723   13.234   30.845   59.275   20.444   43.879   17.877 15.39665 27.15810 
1 1 1    4   -6   36 o   27.684   13.035 -22.8785   23.239   4.2008   65.815 -26.7355   24.839   55.453   24.431   28.068   13.294 27.38557 27.81395 
1 1 1    4   -6   37 o   79.559   22.628   94.938   47.092   94.938   47.092   0.0000   0.0000   79.559   22.628  ?   ?  0.000000 22.62750 
1 1 1    4   -6   38 o  105.093   14.016  149.555   35.865  276.000   54.028   49.935   47.956  142.098   15.476   61.120   23.045 80.97820 27.75961 
1 1 1    4   -6   39 o   85.528   27.766  126.046   67.843  126.046   67.843   0.0000   0.0000   85.528   27.766  ?   ?  0.000000 27.76621 
1 1 1    4   -6   40 o   52.044   18.839   37.280   31.487   67.555   52.922   20.691   39.175   65.421   24.299   47.841   19.884 17.57994 31.39778 
1 1 1    4   -5    0 o   92.539   7.4946  107.783   17.170  112.469   24.348  103.146   24.218   94.189   10.532   90.084   10.994 4.105118 15.22432 
1 1 1    4   -5    1 o  132.562   11.080  221.706   36.344  216.767   51.550  226.587   51.246  130.294   16.193  133.344   15.690 -3.049988 22.54747 
1 1 1    4   -5    2 o  373.258   18.191  1757.14  169.558  1700.22  239.796  1814.05  239.786  364.208   26.549  376.579   25.651 -12.37112 36.91655 
1 1 1    4   -5    3 o  242.912   9.6739  738.939   58.681  722.453   82.949  755.456   83.027  239.408   13.935  244.882   13.631 -5.473846 19.49339 
1 1 1    4   -5    4 o  103.684   7.5741  135.184   19.475  133.153   27.521  137.221   27.563  102.502   10.920  104.095   10.759 -1.593086 15.32940 
1 1 1    4   -5    5 o  373.297   12.714  1748.15  118.517  1740.43  167.545  1755.88  167.671  371.583   18.056  373.241   17.989 -1.658142 25.48811 
1 1 1    4   -5    6 o  408.265   13.629  2090.98  138.949  2156.24  196.486  2025.70  196.520  413.666   19.021  400.829   19.633 12.83679 27.33619 
1 1 1    4   -5    7 o   95.285   7.6312  114.229   18.006  124.980   25.134  102.896   25.807   99.410   10.273   89.887   11.781 9.523529 15.63057 
1 1 1    4   -5    8 o  356.878   12.298  1594.52  109.598  1579.86  154.783  1609.25  155.208  354.749   17.472  358.046   17.359 -3.296936 24.62968 
1 1 1    4   -5    9 o  615.913   27.496  4793.25  422.907  4889.07  598.187  4697.50  597.974  617.213   39.011  604.606   39.829 12.60669 55.75149 
1 1 1    4   -5   10 o  477.157   15.083  2852.29  179.725  2802.49  253.848  2902.34  254.493  472.157   21.530  480.543   21.208 -8.386017 30.22068 
1 1 1    4   -5   11 o  437.597   14.502  2398.07  158.467  2378.85  223.790  2417.40  224.424  435.182   20.593  438.708   20.485 -3.525482 29.04683 
1 1 1    4   -5   12 o  357.715   11.938  1600.91  106.639  1613.84  150.372  1587.83  151.252  358.804   16.783  355.881   17.019 2.922913 23.90221 
1 1 1    4   -5   13 o  558.835   17.591  3916.87  245.479  3981.19  346.909  3852.37  347.411  562.180   24.711  552.920   25.161 9.259216 35.26633 
1 1 1    4   -5   14 o  566.865   37.003  4113.37  520.930   0.0000   0.0000  4113.37  520.930  ?   ?   566.865   37.003 0.000000 37.00304 
1 1 1    4   -5   15 o  259.052   14.082  843.192   90.755  843.192   90.755   0.0000   0.0000  259.052   14.082  ?   ?  0.000000 14.08213 
1 1 1    4   -5   16 o  395.741   13.800  1962.69  136.380  1973.45  192.123  1951.77  193.628  396.107   19.423  393.885   19.686 2.221710 27.65454 
1 1 1    4   -5   17 o  249.706   9.6998  780.224   60.484  850.034   84.219  705.865   86.920  260.417   12.951  236.717   14.778 23.70041 19.64967 
1 1 1    4   -5   18 o  395.879   15.444  1969.61  152.678  2019.63  187.252  1870.40  263.714  400.260   18.734  382.049   27.833 18.21149 33.55059 
1 1 1    4   -5   19 o   77.073   10.778   75.883   20.176   77.547   25.635   73.175   32.706   77.432   13.762   74.691   17.790 2.740295 22.49136 
1 1 1    4   -5   20 o  363.092   17.528  1665.85  158.926  1812.87  226.421  1523.08  223.127  376.022   24.242  343.769   26.189 32.25272 35.68661 
1 1 1    4   -5   21 o  248.347   11.686  774.904   72.476  783.264   89.288  758.758  124.087  248.872   14.429  243.335   20.614 5.536514 25.16248 
1 1 1    4   -5   22 f  229.670   11.081  662.835   63.554  678.613   78.550  632.930  108.142  231.618   13.641  222.088   19.704 9.530212 23.96490 
1 1 1    4   -5   23 o   80.452   10.725   82.757   21.010   94.243   27.192   65.744   33.095   85.492   13.159   70.595   18.536 14.89677 22.73216 
1 1 1    4   -5   24 o   97.080   17.472  123.337   40.800  123.337   40.800   0.0000   0.0000   97.080   17.472  ?   ?  0.000000 17.47243 
1 1 1    4   -5   25 o  267.622   11.489  901.884   76.782  1004.36   95.230  711.491  129.802  281.959   13.525  233.949   22.496 48.00951 26.24837 
1 1 1    4   -5   26 o   74.269   11.536   71.087   20.701   78.511   27.705   61.704   31.149   77.471   14.862   68.328   18.003 9.142868 23.34477 
1 1 1    4   -5   27 o  105.007   10.047  139.891   26.024  191.429   34.496   71.809   39.648  122.752   11.383   73.678   20.695 49.07355 23.61920 
1 1 1    4   -5   28 o  179.707   9.9785  407.423   44.604  485.856   56.938  282.839   71.761  195.935   11.690  147.104   20.058 48.83052 23.21588 
1 1 1    4   -5   29 o   34.583   14.431   3.2586   20.753   4.5634   54.202   3.0345   22.465   54.151   23.000   35.754   14.976 18.39670 27.44598 
1 1 1    4   -5   30 o   75.464   13.581   74.342   24.652   85.864   34.545   62.384   35.192   80.357   17.694   68.657   19.573 11.70061 26.38484 
1 1 1    4   -5   31 o  102.696   11.670  135.078   29.396  159.538   39.850  105.880   43.539  110.955   14.748   88.696   20.119 22.25912 24.94560 
1 1 1    4   -5   32 o   89.287   12.758  103.336   27.637  140.795   38.955   65.375   39.215  103.709   15.519   69.991   20.865 33.71764 26.00355 
1 1 1    4   -5   33 o  118.842   21.180  192.001   60.552  192.001   60.552   0.0000   0.0000  118.842   21.180  ?   ?  0.000000 21.18022 
1 1 1    4   -5   34 o  144.536   11.069  267.752   39.648  352.395   53.529  164.881   59.012  165.125   13.089  108.677   22.486 56.44872 26.01805 
1 1 1    4   -5   35 o  110.505   11.925  158.610   32.386  237.979   45.549   77.471   46.055  134.833   13.719   74.174   22.722 60.65902 26.54282 
1 1 1    4   -5   36 o  116.041   12.840  176.804   36.584  194.473   51.846  159.282   51.631  119.129   17.988  106.419   20.167 12.71067 27.02358 
1 1 1    4   -5   37 o   68.103   27.916   50.889   75.791   50.889   75.791   0.0000   0.0000   68.103   27.916  ?   ?  0.000000 27.91627 
1 1 1    4   -5   38 o   54.399   17.651   40.417   27.418   77.074   45.310   19.239   34.439   72.075   22.614   47.089   18.996 24.98658 29.53428 
1 1 1    4   -5   39 o   50.120   17.908   32.354   28.349   50.801   46.004   21.060   35.996   61.044   22.659   47.940   19.392 13.10461 29.82432 
1 1 1    4   -5   40 o   53.384   18.783   39.164   31.074  113.678   52.681  -0.5953   38.482   84.055   23.942   42.070   18.601 41.98494 30.31836 
1 1 1    4   -4    0 o  136.646   7.6639  234.169   26.046  242.256   36.911  226.148   36.759  138.705   10.740  133.947   11.089 4.758026 15.43774 
1 1 1    4   -4    1 o  206.689   8.9696  534.423   46.296  530.981   65.483  537.862   65.462  205.421   12.830  206.764   12.740 -1.342667 18.08077 
1 1 1    4   -4    2 o  330.452   11.706  1368.34   96.599  1383.70  136.640  1353.00  136.582  331.715   16.495  327.560   16.754 4.154938 23.51126 
1 1 1    4   -4    3 o   85.212   10.745   92.396   22.355   75.525   31.896  108.686   31.342   75.959   17.213   91.991   14.093 -16.03167 22.24628 
1 1 1    4   -4    4 o  192.510   12.414  466.852   59.358  435.721   84.029  497.858   83.862  184.942   18.440  198.062   17.124 -13.11986 25.16516 
1 1 1    4   -4    5 o  319.892   11.444  1282.97   91.421  1246.71  129.231  1319.30  129.346  314.215   16.528  323.755   15.999 -9.540344 23.00289 
1 1 1    4   -4    6 o  629.582   19.667  5005.81  309.208  4904.04  437.115  5107.73  437.457  619.425   28.259  632.445   27.699 -13.01990 39.57017 
1 1 1    4   -4    7 o  199.011   8.8267  495.503   43.866  515.128   61.925  475.737   62.147  202.352   12.313  194.361   12.877 7.991592 17.81713 
1 1 1    4   -4    8 o  521.655   16.726  3417.93  217.890  3400.44  308.002  3435.45  308.283  518.756   23.776  521.447   23.675 -2.690552 33.55302 
1 1 1    4   -4    9 o  226.322   9.3565  640.538   52.880  622.082   74.495  659.284   75.075  222.449   13.474  229.059   13.181 -6.610535 18.84879 
1 1 1    4   -4   10 o  562.852   25.373  3995.34  356.625  4000.26  504.311  3990.43  504.378  559.187   36.312  558.477   36.364 0.7103882 51.38980 
1 1 1    4   -4   11 o  850.141   37.209  9204.75  789.924  9144.87  1117.01  9264.66  1117.24  837.011   53.725  842.739   53.364 -5.727783 75.72359 
1 1 1    4   -4   12 o  497.412   15.647  3099.82  194.357  3073.96  274.539  3125.79  275.187  494.475   22.234  498.647   22.100 -4.171875 31.34845 
1 1 1    4   -4   13 o  189.677   8.5387  449.666   40.444  417.248   56.403  483.976   58.025  182.182   12.473  196.328   11.891 -14.14566 17.23311 
1 1 1    4   -4   14 f  276.833   10.941  958.533   75.639  993.372  106.299  922.802  107.652  281.187   15.195  270.892   15.985 10.29517 22.05439 
1 1 1    4   -4   15 f  774.422   23.894  7554.25  462.082  7913.46  653.550  7195.19  653.417  789.434   33.152  752.119   34.790 37.31433 48.05625 
1 1 1    4   -4   16 o  696.004   29.580  6139.14  514.107  5450.89  724.151  6838.55  729.998  648.169   45.019  728.994   40.256 -80.82507 60.39248 
1 1 1    4   -4   17 o  251.830   10.351  793.522   65.093  739.605   90.867  850.352   93.290  242.373   15.088  260.037   14.423 -17.66391 20.87272 
1 1 1    4   -4   18 o  234.228   11.426  687.125   66.833  625.122   82.035  809.500  115.250  222.690   14.837  252.967   18.370 -30.27667 23.61296 
1 1 1    4   -4   19 o  407.294   15.736  2085.69  160.044  2191.65  196.385  1876.16  276.162  416.882   18.864  382.061   29.166 34.82166 34.73487 
1 1 1    4   -4   20 o  341.226   13.434  1462.61  114.474  1587.56  140.701  1217.95  196.885  355.080   15.868  307.877   25.848 47.20297 30.32978 
1 1 1    4   -4   21 o  165.803   12.353  347.220   50.779  358.166   74.671  337.803   69.258  167.322   18.162  162.622   17.321 4.699936 25.09775 
1 1 1    4   -4   22 o   65.267   10.968   54.925   17.242   73.652   22.520   28.402   26.801   75.573   12.361   50.067   17.454 25.50660 21.38753 
1 1 1    4   -4   23 o  472.735   17.798  2836.94  210.109  2962.67  257.881  2588.66  362.376  481.309   21.456  441.730   33.092 39.57880 39.43875 
1 1 1    4   -4   24 o  246.652   10.998  764.868   67.742  846.857   83.919  611.512  114.772  258.860   13.024  217.504   21.408 41.35609 25.05855 
1 1 1    4   -4   25 o  278.898   12.013  979.740   83.665  1047.50  103.383  851.142  142.426  287.837   14.383  256.284   22.482 31.55350 26.68886 
1 1 1    4   -4   26 o  150.632   17.592  292.580   64.926  292.580   64.926   0.0000   0.0000  150.632   17.592  ?   ?  0.000000 17.59171 
1 1 1    4   -4   27 o   83.289   11.191   88.862   22.687  104.859   30.486   69.010   33.962   90.031   14.016   72.172   18.694 17.85887 23.36510 
1 1 1    4   -4   28 o  176.692   10.577  394.217   46.456  402.267   58.748  380.783   75.895  177.918   13.319  171.848   17.950 6.070053 22.35232 
1 1 1    4   -4   29 o  194.133   10.433  475.673   50.392  562.303   64.095  335.452   81.546  210.712   12.234  160.140   20.889 50.57167 24.20784 
1 1 1    4   -4   30 o   40.232   15.559   13.502   22.228   13.596   56.237   13.484   24.199   57.347   23.829   41.384   16.170 15.96364 28.79724 
1 1 1    4   -4   31 o  157.001   10.229  311.856   39.886  387.845   52.463  207.782   61.398  174.733   12.098  125.341   20.311 49.39205 23.64104 
1 1 1    4   -4   32 o  152.102   10.951  293.793   41.315  328.313   54.571  247.433   63.241  160.078   13.786  137.166   18.971 22.91240 23.45070 
1 1 1    4   -4   33 o   81.570   13.795   87.153   27.097   82.937   38.888   91.133   37.779   78.191   19.874   82.166   18.817 -3.974991 27.36895 
1 1 1    4   -4   34 o   80.540   23.056   89.787   48.729   89.787   48.729   0.0000   0.0000   80.540   23.056  ?   ?  0.000000 23.05603 
1 1 1    4   -4   35 o   56.571   16.329   42.893   24.351   71.872   38.052   22.794   31.690   72.138   20.279   48.473   18.624 23.66521 27.53301 
1 1 1    4   -4   36 o   35.890   15.562  -1.4101   25.798   0.0000   0.0000  -1.4101   25.798  ?   ?    35.890   15.562 0.000000 15.56222 
1 1 1    4   -4   37 o   77.089   15.579   81.137   28.959  139.156   44.589   38.810   38.084  100.088   18.522   56.396   20.672 43.69209 27.75593 
1 1 1    4   -4   38 o   35.960   15.289   3.0770   23.993  -7.3764   44.343   7.4042   28.530   44.319   19.760   40.257   16.870 4.062450 25.98154 
1 1 1    4   -4   39 o   36.560   15.557   3.6060   24.879  -9.0041   45.117   9.1164   29.824   43.992   19.749   41.339   17.280 2.653145 26.24169 
1 1 1    4   -4   40 f   39.378   16.499   8.1719   27.284   52.124   48.875 -11.7270   32.886   61.798   23.273   36.650   16.619 25.14746 28.59751 
1 1 1    4   -4   41 f   49.590   18.645   30.769   31.346   32.897   55.022   29.747   38.140   56.294   23.496   51.025   20.188 5.269325 30.97750 
1 1 1    4   -3    0 f  284.266   10.571  1011.06   75.041  1001.83  106.119  1020.28  106.129  282.262   15.110  284.874   14.971 -2.612091 21.27099 
1 1 1    4   -3    1 o  345.689   11.948  1496.30  103.144  1517.76  145.929  1474.88  145.806  347.679   16.808  342.706   17.037 4.973114 23.93279 
1 1 1    4   -3    2 o  339.402   11.857  1442.69  100.492  1471.94  142.165  1413.49  142.070  342.322   16.631  334.981   17.040 7.340637 23.81034 
1 1 1    4   -3    3 o  429.609   14.218  2315.96  152.530  2344.63  215.752  2287.32  215.668  431.203   20.037  425.850   20.280 5.353027 28.50899 
1 1 1    4   -3    4 o  300.888   10.911  1134.16   81.980  1084.09  115.885  1184.32  115.988  293.206   15.886  307.000   15.130 -13.79327 21.93815 
1 1 1    4   -3    5 o  521.445   23.906  3454.34  311.296  3435.45  440.272  3473.23  440.206  514.241   34.485  517.192   34.279 -2.950623 48.62316 
1 1 1    4   -3    6 o  644.341   28.976  5320.45  466.236  5187.58  659.173  5453.47  659.541  625.940   42.422  642.781   41.308 -16.84076 59.21106 
1 1 1    4   -3    7 o  149.042   8.0051  278.677   29.685  289.796   41.878  267.448   42.084  151.667   11.135  145.600   11.673 6.065948 16.13194 
1 1 1    4   -3    8 o  177.161   8.4511  392.597   37.388  404.058   52.716  380.997   53.035  179.184   11.848  173.919   12.290 5.264694 17.07152 
1 1 1    4   -3    9 o  263.060   10.174  865.888   66.834  884.875   94.331  846.751   94.705  265.271   14.293  259.426   14.679 5.844147 20.48793 
1 1 1    4   -3   10 o  389.770   12.674  1902.10  123.356  1832.44  174.102  1972.33  174.804  382.003   18.251  396.388   17.660 -14.38501 25.39604 
1 1 1    4   -3   11 o  496.641   15.937  3091.61  197.654  3079.17  279.318  3104.08  279.733  494.676   22.611  496.683   22.553 -2.006775 31.93639 
1 1 1    4   -3   12 o  316.836   16.068  1261.18  126.716  1395.05  179.485  1128.15  178.923  332.455   21.739  298.394   24.221 34.06015 32.54593 
1 1 1    4   -3   13 o  829.450   36.102  8744.04  747.777   0.0000   0.0000  8744.04  747.777  ?   ?   829.450   36.102 0.000000 36.10200 
1 1 1    4   -3   14 o  241.365   13.816  731.686   82.929  731.686   82.929   0.0000   0.0000  241.365   13.816  ?   ?  0.000000 13.81617 
1 1 1    4   -3   15 o  702.066   21.550  6195.50  377.810  6449.24  534.271  5941.71  534.337  714.085   29.961  685.031   31.236 29.05402 43.28236 
1 1 1    4   -3   16 o  489.135   15.563  2998.55  190.094  3163.13  268.518  2833.20  269.151  501.535   21.440  474.452   22.717 27.08246 31.23674 
1 1 1    4   -3   17 o  189.885   13.852  454.086   65.232  510.245   87.758  384.744   97.516  200.841   17.678  173.247   23.117 27.59401 29.10164 
1 1 1    4   -3   18 o  488.379   17.567  2996.88  214.238  3277.20  262.931  2443.13  369.548  510.100   20.641  435.904   34.224 74.19522 39.96698 
1 1 1    4   -3   19 o  869.391   31.028  9658.50  673.638  9896.09  825.427  9184.67  1165.67  875.209   37.767  824.212   56.985 50.99701 68.36403 
1 1 1    4   -3   20 o  375.516   14.860  1771.99  139.345  1809.92  170.982  1696.96  240.455  378.935   18.069  364.004   26.638 14.93091 32.18821 
1 1 1    4   -3   21 o  317.403   13.268  1265.61  105.167  1236.82  129.154  1322.27  181.175  312.808   16.593  321.793   22.691 -8.985260 28.11123 
1 1 1    4   -3   22 o  169.651   10.009  362.095   42.215  361.557   52.467  363.081   71.093  169.167   12.509  168.672   17.116 0.4957275 21.19921 
1 1 1    4   -3   23 o  316.111   17.027  1268.48  133.917  1118.20  190.691  1414.71  188.109  293.384   26.308  331.763   22.845 -38.37845 34.84216 
1 1 1    4   -3   24 o  122.570   10.521  190.053   31.890  132.477   40.063  289.620   52.685  101.035   16.445  150.857   14.151 -49.82128 21.69486 
1 1 1    4   -3   25 o  122.832   9.6589  190.542   29.388  219.811   37.687  145.130   46.943  131.682   11.578  105.319   18.525 26.36287 21.84608 
1 1 1    4   -3   26 o  299.123   12.731  1128.16   95.096  1174.14  117.355  1040.22  162.288  304.065   15.507  283.219   23.149 20.84653 27.86273 
1 1 1    4   -3   27 o  135.609   17.559  237.749   58.066  237.749   58.066   0.0000   0.0000  135.609   17.559  ?   ?  0.000000 17.55900 
1 1 1    4   -3   28 o  108.073   10.235  148.126   27.293  171.577   36.023  116.524   41.818  115.949   12.646   94.010   18.472 21.93928 22.38609 
1 1 1    4   -3   29 o  133.204   10.428  224.543   34.411  241.533   44.813  200.131   53.716  137.648   13.199  124.060   17.853 13.58789 22.20248 
1 1 1    4   -3   30 o  130.124   10.209  214.315   32.908  274.891   43.831  136.058   49.819  147.120   12.036  101.157   20.426 45.96252 23.70800 
1 1 1    4   -3   31 o  210.865   10.995  561.984   57.695  604.129   73.267  493.194   93.606  217.986   13.526  194.945   19.489 23.04042 23.72326 
1 1 1    4   -3   32 o   78.692   16.527   82.010   31.443   62.483   64.191   88.175   36.067   73.869   26.874   81.318   18.214 -7.448624 32.46448 
1 1 1    4   -3   33 o  104.102   12.232  139.209   31.193  137.048   43.208  141.561   45.077  101.808   17.634  103.358   18.126 -1.549759 25.28845 
1 1 1    4   -3   34 o  187.025   10.560  444.229   49.116  560.547   64.581  284.638   75.646  209.514   12.399  145.537   21.458 63.97664 24.78257 
1 1 1    4   -3   35 o  106.759   11.893  147.062   31.169  226.385   45.178   75.017   43.056  132.041   13.911   73.984   21.817 58.05738 25.87428 
1 1 1    4   -3   36 o   89.711   24.115  115.275   55.187  115.275   55.187   0.0000   0.0000   89.711   24.115  ?   ?  0.000000 24.11476 
1 1 1    4   -3   37 o   66.022   16.264   59.775   26.639   77.119   41.549   47.669   34.713   73.810   21.337   59.879   19.882 13.93118 29.16411 
1 1 1    4   -3   38 o   74.154   15.753   75.427   28.271  151.244   45.088   26.310   36.291  104.693   17.889   50.925   19.829 53.76784 26.70557 
1 1 1    4   -3   39 o   65.746   17.630   60.889   29.539  104.287   48.001   34.436   37.475   83.890   22.465   54.072   20.376 29.81856 30.32856 
1 1 1    4   -3   40 o   72.524   19.466   76.467   35.992  291.224   85.176   29.784   39.712  137.354   25.779   52.573   20.664 84.78117 33.03886 
1 1 1    4   -3   41 o   67.148   18.678   65.952   32.461  183.601   55.446   4.5995   40.040  111.471   20.680   44.446   19.330 67.02583 28.30722 
1 1 1    4   -3   42 o   75.087   19.240   84.776   36.240  214.944   62.583   19.105   44.452  118.193   22.014   49.481   20.913 68.71158 30.36347 
1 1 1    4   -2    0 o   64.491   7.5844   52.697   11.981   52.847   16.990   52.548   16.898   64.092   11.012   63.911   10.984 0.1814690 15.55344 
1 1 1    4   -2    1 o  518.583   16.611  3374.04  215.118  3387.85  304.240  3360.23  304.205  518.396   23.502  516.259   23.597 2.137329 33.30371 
1 1 1    4   -2    2 o  316.260   11.359  1251.88   89.712  1227.07  126.837  1276.71  126.906  312.289   16.321  319.009   15.931 -6.720306 22.80699 
1 1 1    4   -2    3 o  543.250   17.160  3707.40  232.788  3717.05  329.241  3697.76  329.181  542.297   24.312  540.872   24.372 1.425049 34.42496 
1 1 1    4   -2    4 f  248.314   9.7758  771.643   60.619  793.556   85.776  749.779   85.679  251.167   13.728  244.067   14.118 7.100433 19.69190 
1 1 1    4   -2    5 o  148.802   7.9641  277.735   29.486  262.159   41.680  293.339   41.719  144.164   11.678  152.629   11.020 -8.464813 16.05667 
1 1 1    4   -2    6 f  425.506   14.137  2274.38  150.210  2224.00  212.367  2324.82  212.492  419.431   20.276  428.946   19.838 -9.515015 28.36609 
1 1 1    4   -2    7 o  224.220   13.242  633.318   73.817  640.815  104.440  625.833  104.347  224.554   18.798  221.849   19.019 2.704575 26.74109 
1 1 1    4   -2    8 o   74.064   10.521   70.074   18.912   69.479   26.544   70.686   26.951   73.035   15.055   73.666   15.156 -0.6313400 21.36230 
1 1 1    4   -2    9 o  230.369   9.4195  664.070   54.188  650.217   76.466  678.045   76.801  227.294   13.533  232.154   13.303 -4.860580 18.97690 
1 1 1    4   -2   10 o  613.409   19.286  4732.78  295.417  4815.48  417.751  4650.06  417.813  616.537   27.134  605.696   27.623 10.84088 38.72063 
1 1 1    4   -2   11 o  364.837   12.278  1666.07  111.859  1611.20  157.916  1721.33  158.472  358.307   17.649  370.404   17.133 -12.09738 24.59710 
1 1 1    4   -2   12 o  595.309   18.181  4446.48  270.276  4600.87  382.253  4292.12  382.202  604.178   25.336  583.356   26.237 20.82227 36.47284 
1 1 1    4   -2   13 o  351.930   13.359  1550.25  117.405  1461.39  143.202  1732.45  205.048  341.450   16.795  370.572   22.261 -29.12149 27.88601 
1 1 1    4   -2   14 o  516.394   23.493  3354.42  302.947  3209.13  428.320  3499.87  428.543  501.847   34.385  524.627   32.877 -22.77982 47.57354 
1 1 1    4   -2   15 o  719.244   22.275  6503.30  400.083  6518.79  565.551  6487.78  566.054  717.650   31.558  715.909   31.663 1.741272 44.70388 
1 1 1    4   -2   16 o  598.912   18.345  4500.50  274.363  4100.60  387.168  4903.90  388.853  570.028   27.199  623.889   24.959 -53.86108 36.91529 
1 1 1    4   -2   17 o  171.489   8.8169  368.612   37.630  373.335   52.128  363.472   54.375  172.286   12.195  169.907   12.912 2.379013 17.76084 
1 1 1    4   -2   18 o  513.193   18.919  3309.59  242.452  3432.27  297.211  3065.55  419.180  521.861   22.807  489.131   34.540 32.73041 41.39044 
1 1 1    4   -2   19 o  797.577   51.772  8425.71  1025.57  8425.71  1025.57   0.0000   0.0000  797.577   51.772  ?   ?  0.000000 51.77233 
1 1 1    4   -2   20 o  258.750   11.738  838.879   75.842  822.891   93.224  870.174  130.425  255.609   14.666  261.906   20.095 -6.297424 24.87795 
1 1 1    4   -2   21 o  570.404   20.828  4116.09  296.669  4272.19  363.757  3806.02  512.683  579.395   25.141  538.997   38.340 40.39819 45.84807 
1 1 1    4   -2   22 o  147.993   10.103  275.746   37.116  220.732   46.007  378.292   62.812  131.728   14.211  172.772   14.698 -41.04405 20.44484 
1 1 1    4   -2   23 o  247.277   11.848  768.066   73.160  715.073   90.063  870.872  125.444  237.653   15.257  261.322   19.361 -23.66946 24.64956 
1 1 1    4   -2   24 o  311.495   15.204  1225.23  118.268  1433.85  169.880  1029.01  164.752  334.889   20.411  282.352   23.582 52.53699 31.18866 
1 1 1    4   -2   25 o  251.379   11.739  794.861   73.688  793.417   90.986  797.611  125.619  250.231   14.624  249.204   20.364 1.026886 25.07114 
1 1 1    4   -2   26 o  161.034   10.860  327.427   43.416  250.070   54.136  466.860   72.681  139.671   15.799  191.490   15.328 -51.81950 22.01256 
1 1 1    4   -2   27 o  151.443   10.165  289.429   38.218  287.589   48.310  292.505   62.479  150.458   12.985  150.874   16.872 -0.4159698 21.29034 
1 1 1    4   -2   28 o  262.991   11.701  871.038   76.848  929.989   95.381  761.970  129.738  270.854   14.151  242.601   21.643 28.25380 25.85837 
1 1 1    4   -2   29 o  233.230   20.460  702.698  117.958  702.698  117.958   0.0000   0.0000  233.230   20.460  ?   ?  0.000000 20.45990 
1 1 1    4   -2   30 o  230.783   10.790  670.366   62.182  768.215   78.272  502.950  102.383  246.340   12.768  196.643   21.184 49.69691 24.73401 
1 1 1    4   -2   31 o  181.189   11.324  415.351   50.980  363.055   64.691  501.049   82.812  168.343   15.565  197.559   16.950 -29.21573 23.01226 
1 1 1    4   -2   32 o  249.229   11.034  783.192   68.673  914.128   86.946  566.047  111.968  268.763   12.955  207.921   21.894 60.84245 25.43940 
1 1 1    4   -2   33 o  223.146   13.315  634.005   73.860  861.358  116.237  480.043   95.653  258.191   18.143  191.527   20.309 66.66391 27.23335 
1 1 1    4   -2   34 o  255.436   11.421  826.333   72.852  961.138   92.718  608.819  117.776  274.709   13.516  214.054   22.364 60.65488 26.13053 
1 1 1    4   -2   35 o  132.683   11.532  225.294   37.828  277.684   52.820  170.128   54.201  146.387   14.646  112.317   20.061 34.06943 24.83807 
1 1 1    4   -2   36 o  123.189   16.892  201.335   50.596  201.335   50.596   0.0000   0.0000  123.189   16.892  ?   ?  0.000000 16.89231 
1 1 1    4   -2   37 o   58.900   22.826   35.936   47.919   35.936   47.919   0.0000   0.0000   58.900   22.826  ?   ?  0.000000 22.82645 
1 1 1    4   -2   38 o   35.094   14.794   3.4406   22.156   5.1489   39.425   2.6520   26.786   45.611   19.500   37.847   16.124 7.764572 25.30303 
1 1 1    4   -2   39 o   35.504   15.009   3.5215   22.904   9.8531   42.179   0.8739   27.275   47.913   20.317   37.383   16.106 10.52920 25.92614 
1 1 1    4   -2   40 o   63.958   18.099   57.785   30.206   68.663   49.976   51.524   37.916   69.161   23.850   61.174   20.782 7.986786 31.63397 
1 1 1    4   -2   41 f  106.229   17.124  157.580   43.881  385.288   94.183   94.445   49.593  159.488   24.426   78.528   23.477 80.96062 33.87889 
1 1 1    4   -2   42 o   29.829   14.010 -22.9734   26.554 -16.9875   52.566 -25.0243   30.768   44.982   20.630   32.229   15.119 12.75367 25.57654 
1 1 1    4   -1    0 o  886.788   26.466  9927.25  586.092 10169.10  829.085  9685.66  828.634  892.789   37.188  870.845   38.104 21.94354 53.24329 
1 1 1    4   -1    1 o  322.518   11.400  1301.51   91.814  1349.62  129.925  1253.52  129.765  328.101   15.857  315.724   16.516 12.37762 22.89644 
1 1 1    4   -1    2 o  193.617   8.6559  468.663   41.851  461.190   59.168  476.145   59.205  191.536   12.438  194.650   12.243 -3.113724 17.45213 
1 1 1    4   -1    3 o  141.467   7.8493  250.932   27.620  261.477   39.126  240.456   38.997  144.141   10.952  138.141   11.407 5.999664 15.81314 
1 1 1    4   -1    4 o  165.768   8.1948  343.574   33.923  349.218   48.009  337.948   47.938  166.607   11.612  163.863   11.794 2.743286 16.55109 
1 1 1    4   -1    5 o  315.939   11.299  1250.13   89.143  1254.91  126.083  1245.36  126.050  315.651   16.048  314.436   16.107 1.215576 22.73750 
1 1 1    4   -1    6 o  175.742   8.3220  386.377   36.522  374.682   51.644  398.077   51.656  172.463   12.067  177.837   11.697 -5.373932 16.80611 
1 1 1    4   -1    7 o  103.529   7.5150  134.762   19.296  128.786   27.268  140.756   27.310  100.781   11.014  105.480   10.508 -4.699219 15.22283 
1 1 1    4   -1    8 o  275.698   10.431  952.216   71.815  960.296  101.523  944.124  101.600  276.016   14.783  273.650   14.924 2.366516 21.00638 
1 1 1    4   -1    9 o  350.219   17.320  1544.23  151.471  1538.10  214.068  1550.38  214.359  347.163   24.857  348.574   24.788 -1.411438 35.10415 
1 1 1    4   -1   10 o  362.851   12.255  1649.57  111.042  1657.20  156.894  1641.91  157.180  363.070   17.305  361.376   17.418 1.694672 24.55250 
1 1 1    4   -1   11 o  232.255   9.5074  674.641   55.141  667.834   77.721  681.542   78.246  230.487   13.563  232.854   13.514 -2.367569 19.14672 
1 1 1    4   -1   12 o  289.740   14.885  1054.57  107.336   0.0000   0.0000  1054.57  107.336  ?   ?   289.740   14.885 0.000000 14.88519 
1 1 1    4   -1   13 o  688.087   24.635  5962.61  423.296  5821.26  518.198  6246.07  733.828  678.312   30.593  697.270   42.345 -18.95776 52.23996 
1 1 1    4   -1   14 o  700.460   21.660  6165.04  378.869  6065.25  535.491  6265.06  536.112  692.491   30.966  703.941   30.498 -11.44952 43.46284 
1 1 1    4   -1   15 o  1203.13   52.623 18745.46  1581.04 19183.31  2236.73 18308.24  2235.12  1192.89   75.475  1163.09   77.397 29.80603 108.1057 
1 1 1    4   -1   16 o  651.768   19.970  5333.23  325.031  5274.49  459.229  5392.18  460.099  646.350   28.452  653.587   28.190 -7.237122 40.05239 
1 1 1    4   -1   17 f  401.994   13.854  2023.41  139.071  2125.08  196.360  1921.09  196.994  411.447   19.111  390.555   20.268 20.89127 27.85749 
1 1 1    4   -1   18 o  957.295   33.883 11656.28  809.997 11830.92  992.304 11307.57  1402.21  960.113   41.388  922.229   61.235 37.88385 73.90982 
1 1 1    4   -1   19 o  767.320   27.372  7455.48  524.477  7194.98  642.174  7977.36  908.924  750.838   34.250  782.110   46.752 -31.27240 57.95524 
1 1 1    4   -1   20 o  418.842   28.616  2240.50  297.513  2240.50  297.513   0.0000   0.0000  418.842   28.616  ?   ?  0.000000 28.61628 
1 1 1    4   -1   21 o  295.004   12.895  1091.47   94.992  962.824  116.508  1346.56  164.061  276.115   16.980  326.000   20.253 -49.88510 26.42901 
1 1 1    4   -1   22 o  405.726   15.729  2071.72  159.367  2122.15  195.573  1972.06  274.940  409.865   19.108  391.459   28.317 18.40625 34.16069 
1 1 1    4   -1   23 o  663.127   24.114  5613.16  399.316  5678.14  489.414  5483.75  690.640  663.333   29.546  638.682   43.563 24.65027 52.63713 
1 1 1    4   -1   24 o  252.350   12.099  800.318   76.244  702.674   93.760  990.928  131.000  235.348   16.049  278.879   18.923 -43.53102 24.81223 
1 1 1    4   -1   25 o  204.906   15.035  532.938   76.397  250.996  109.875  796.815  106.297  135.602   32.804  250.226   17.114 -114.6236 37.00026 
1 1 1    4   -1   26 f  122.348   9.8633  189.088   29.879  190.553   38.269  186.801   47.818  122.360   12.710  120.397   16.326 1.962967 20.69003 
1 1 1    4   -1   27 o  256.381   11.403  826.864   73.006  877.813   90.480  731.810  123.586  263.357   13.806  238.239   20.988 25.11797 25.12148 
1 1 1    4   -1   28 o  156.101   11.117  308.037   43.053  226.585   54.076  449.063   71.154  132.608   16.700  187.724   15.312 -55.11536 22.65719 
1 1 1    4   -1   29 o  431.428   17.043  2366.30  183.616  2272.36  225.533  2550.98  316.217  420.020   21.575  439.796   28.955 -19.77585 36.10910 
1 1 1    4   -1   30 o  109.082   18.934  156.120   49.705  156.120   49.705   0.0000   0.0000  109.082   18.934  ?   ?  0.000000 18.93395 
1 1 1    4   -1   31 o  268.653   12.420  910.821   83.320  912.041  103.688  908.596  139.985  267.589   15.584  264.820   21.349 2.768616 26.43238 
1 1 1    4   -1   32 o  402.059   15.635  2055.17  156.981  2123.02  193.790  1925.67  267.727  406.867   19.073  380.589   28.374 26.27808 34.18868 
1 1 1    4   -1   33 o  173.220   11.583  380.448   49.816  331.165   64.004  456.179   79.340  160.357   16.206  188.163   17.071 -27.80615 23.53829 
1 1 1    4   -1   34 o  380.932   17.868  1867.58  169.973  2196.90  247.052  1571.58  234.218  407.332   24.400  341.495   27.704 65.83691 36.91726 
1 1 1    4   -1   35 o   87.831   18.894  103.819   40.210   0.0000   0.0000  103.819   40.210  ?   ?    87.831   18.894 0.000000 18.89380 
1 1 1    4   -1   36 o   28.404   12.787  -8.9049   19.064   36.723   35.473 -27.4346   22.605   56.056   20.032   26.463   12.577 29.59362 23.65235 
1 1 1    4   -1   37 o   76.563   15.149   78.464   27.937   80.895   42.386   76.597   37.149   76.317   21.385   74.531   19.672 1.785751 29.05659 
1 1 1    4   -1   38 o   79.544   25.521   90.483   57.438   90.483   57.438   0.0000   0.0000   79.544   25.521  ?   ?  0.000000 25.52060 
1 1 1    4   -1   39 o   31.082   13.874  -7.1720   21.928 -14.7265   42.279  -4.3918   25.648   42.015   18.967   34.704   15.272 7.311256 24.35093 
1 1 1    4   -1   40 f   64.440   17.918   58.165   29.877   24.851   49.675   77.047   37.398   54.996   22.579   73.409   19.901 -18.41282 30.09749 
1 1 1    4   -1   41 o  197.803   11.566  509.990   56.881  714.822   79.111  290.779   81.841  232.371   13.694  139.413   24.397 92.95824 27.97727 
1 1 1    4   -1   42 o   76.094   18.337   83.567   34.432  191.977   61.436   33.920   41.576  113.091   22.546   54.301   21.201 58.78983 30.94813 
1 1 1    4   -1   43 f   60.226   19.610   52.939   33.829   88.104   60.611   37.028   40.770   73.704   26.201   54.506   21.074 19.19820 33.62437 
1 1 1    4    0    0 o  200.335   12.418  504.202   61.818  581.291   87.585  427.680   87.263  214.703   16.461  183.557   19.328 31.14590 25.38780 
1 1 1    4    0    1 o  169.106   11.227  359.318   47.140  476.617   66.960  244.057   66.376  194.600   13.870  138.007   19.830 56.59259 24.19893 
1 1 1    4    0    2 o  510.822   23.313  3286.49  297.387  3315.11  420.634  3257.88  420.503  509.751   33.226  505.220   33.521 4.531097 47.19725 
1 1 1    4    0    3 o  259.236   14.310  844.561   92.279  827.418  130.466  861.723  130.538  255.691   20.608  261.039   20.182 -5.348175 28.84447 
1 1 1    4    0    4 o  188.239   8.5647  443.027   40.260  437.095   56.946  448.954   56.926  186.437   12.301  188.979   12.127 -2.541977 17.27322 
1 1 1    4    0    5 o  344.741   12.032  1488.44  103.580  1490.13  146.501  1486.77  146.469  344.409   17.034  344.018   17.050 0.3905640 24.10071 
1 1 1    4    0    6 o  128.904   7.5700  208.478   24.261  211.526   34.349  205.444   34.270  129.534   10.715  127.629   10.856 1.904686 15.25327 
1 1 1    4    0    7 o  207.002   8.9301  536.246   46.161  523.184   65.265  549.320   65.299  203.812   12.890  208.902   12.576 -5.090561 18.00837 
1 1 1    4    0    8 o  356.593   12.370  1595.17  110.151  1575.02  155.739  1615.32  155.814  353.479   17.643  358.014   17.428 -4.534851 24.79999 
1 1 1    4    0    9 o  291.646   10.783  1065.69   78.533  1055.89  110.985  1075.51  111.139  289.382   15.414  292.089   15.290 -2.706848 21.71124 
1 1 1    4    0   10 o  262.943   10.021  865.519   65.801  840.493   92.901  890.715   93.214  258.353   14.458  266.039   14.081 -7.686188 20.18173 
1 1 1    4    0   11 o  583.296   38.048  4393.88  551.169   0.0000   0.0000  4393.88  551.169  ?   ?   583.296   38.048 0.000000 38.04783 
1 1 1    4    0   12 o  375.294   18.016  1768.31  168.840  1768.31  168.840   0.0000   0.0000  375.294   18.016  ?   ?  0.000000 18.01579 
1 1 1    4    0   13 o  363.534   12.047  1653.67  109.362  1602.03  154.269  1705.83  155.057  357.406   17.285  368.845   16.834 -11.43857 24.12804 
1 1 1    4    0   14 o  602.458   18.898  4554.02  284.310  4531.25  401.853  4576.83  402.298  599.465   26.844  602.496   26.739 -3.030701 37.88910 
1 1 1    4    0   15 o  954.209   29.053 11495.97  692.282 11276.87  978.625 11715.44  979.445  939.565   41.710  958.057   40.939 -18.49188 58.44416 
1 1 1    4    0   16 f  286.201   11.253  1024.46   80.428  1157.87  113.444  889.647  114.042  304.069   14.940  265.847   17.272 38.22266 22.83721 
1 1 1    4    0   17 f  953.226   41.622 11619.35  990.766 11526.33  1401.23 11712.35  1401.08  935.728   60.288  943.694   59.763 -7.966064 84.88902 
1 1 1    4    0   18 o  492.124   17.562  3037.99  215.830  2609.98  263.888  3902.82  375.108  454.758   23.316  556.032   27.015 -101.2748 35.68528 
1 1 1    4    0   19 o  199.885   10.649  501.239   52.962  465.650   65.109  570.847   91.056  192.333   13.645  212.586   17.302 -20.25352 22.03526 
1 1 1    4    0   20 o  107.344   9.7907  145.340   25.956  130.602   32.354  171.953   43.477  101.265   13.102  116.079   15.377 -14.81477 20.20190 
1 1 1    4    0   21 o  274.100   12.436  941.550   85.123  780.946  104.377  1260.49  147.090  248.679   16.908  315.865   18.732 -67.18651 25.23422 
1 1 1    4    0   22 o  290.878   22.122  1077.16  159.481  1077.16  159.481   0.0000   0.0000  290.878   22.122  ?   ?  0.000000 22.12155 
1 1 1    4    0   23 o  300.545   12.793  1134.16   96.013  1131.54  118.034  1139.30  165.068  299.343   15.847  298.745   22.287 0.5986023 27.34629 
1 1 1    4    0   24 o  479.183   18.002  2904.70  215.417  2958.01  264.261  2799.11  371.902  482.038   21.953  462.737   32.389 19.30127 39.12760 
1 1 1    4    0   25 o  273.776   11.900  942.030   81.354  967.997  100.329  892.178  139.012  276.699   14.571  263.738   21.289 12.96133 25.79786 
1 1 1    4    0   26 o  119.815   9.9468  181.375   29.492  164.892   37.411  208.430   47.931  113.621   13.446  127.547   15.357 -13.92520 20.41194 
1 1 1    4    0   27 o  344.448   17.774  1510.85  152.361  1463.89  217.449  1556.15  213.546  335.254   26.181  346.410   24.851 -11.15594 36.09764 
1 1 1    4    0   28 o  239.252   11.715  720.381   69.990  674.594   86.654  806.304  118.705  230.441   15.143  250.810   19.096 -20.36919 24.37153 
1 1 1    4    0   29 o  215.103   12.078  584.581   64.616  406.309   79.920  921.091  109.803  177.735   18.267  268.951   16.428 -91.21516 24.56694 
1 1 1    4    0   30 o  430.764   16.085  2354.39  173.027  2497.22  213.116  2078.16  296.378  442.089   19.304  395.861   30.210 46.22845 35.85070 
1 1 1    4    0   31 f   84.880   20.610   96.040   43.249   96.040   43.249   0.0000   0.0000   84.880   20.610  ?   ?  0.000000 20.61031 
1 1 1    4    0   32 o  438.979   17.462  2457.45  191.416  2367.25  235.471  2633.16  328.671  427.641   22.126  444.827   29.760 -17.18610 37.08372 
1 1 1    4    0   33 o  135.768   11.637  234.181   39.074  178.200   51.490  310.186   59.997  116.701   18.268  155.424   15.672 -38.72340 24.06921 
1 1 1    4    0   34 o  295.960   13.961  1112.11  103.185  972.261  128.230  1369.03  173.798  274.283   18.836  324.017   21.604 -49.73325 28.66169 
1 1 1    4    0   35 o  257.385   15.525  850.445   99.318  850.445   99.318   0.0000   0.0000  257.385   15.525  ?   ?  0.000000 15.52500 
1 1 1    4    0   36 o  126.198   13.996  205.988   43.364  283.484   79.941  173.676   51.619  144.611   22.900  114.167   18.757 30.44425 29.60146 
1 1 1    4    0   37 o   40.795   15.382   16.295   21.365   13.133   37.888   17.770   25.871   48.031   19.719   43.824   16.830 4.206955 25.92427 
1 1 1    4    0   38 o  128.010   12.063  211.757   38.107  232.439   53.971  191.198   53.811  132.210   16.721  118.805   18.760 13.40592 25.13072 
1 1 1    4    0   39 o   79.392   15.042   84.905   28.729  130.805   46.412   56.393   36.580   96.854   19.856   64.246   20.340 32.60760 28.42546 
1 1 1    4    0   40 o   85.479   27.212  110.415   65.399  110.415   65.399   0.0000   0.0000   85.479   27.212  ?   ?  0.000000 27.21161 
1 1 1    4    0   41 o  159.020   12.157  330.336   47.910  421.903   67.812  239.072   67.700  177.496   15.453  129.025   21.788 48.47177 26.71164 
1 1 1    4    0   42 o   66.011   17.878   61.985   30.199  103.722   53.276   42.226   36.657   82.271   24.270   56.743   20.354 25.52798 31.67536 
1 1 1    4    0   43 o   77.177   18.310   86.258   34.755  106.434   58.729   75.384   43.115   81.361   25.775   70.661   22.042 10.70042 33.91416 
1 1 1    4    1    0 o  644.741   28.562  5254.08  459.854  5481.73  650.695  5026.94  649.970  653.601   40.060  625.014   41.886 28.58685 57.95944 
1 1 1    4    1    1 o  381.746   12.955  1824.20  123.502  1802.84  174.634  1845.57  174.682  379.010   18.451  383.498   18.240 -4.487671 25.94540 
1 1 1    4    1    2 o  608.180   19.041  4644.37  289.184  4655.85  408.984  4632.89  408.952  607.221   26.972  605.705   27.037 1.515869 38.19003 
1 1 1    4    1    3 o  637.870   19.922  5113.35  317.340  5140.17  448.810  5086.53  448.762  637.475   28.194  634.098   28.341 3.377258 39.97580 
1 1 1    4    1    4 o  727.634   32.135  6729.83  583.899  6670.39  825.666  6789.31  825.850  716.239   46.413  722.877   45.989 -6.638000 65.33849 
1 1 1    4    1    5 o  393.297   18.853  1944.66  185.164  1981.33  261.940  1908.03  261.782  394.760   26.729  387.222   27.246 7.538605 38.16804 
1 1 1    4    1    6 o  482.291   22.241  2936.86  267.861  2861.32  378.663  3012.51  378.962  472.127   32.312  484.828   31.471 -12.70105 45.10526 
1 1 1    4    1    7 o  496.765   16.058  3102.21  199.199  3136.34  281.757  3068.10  281.661  497.822   22.665  492.305   22.911 5.517151 32.22733 
1 1 1    4    1    8 o  279.626   10.448  979.454   72.959  968.312  103.164  990.603  103.195  277.164   14.961  280.375   14.791 -3.210449 21.03816 
1 1 1    4    1    9 o  349.557   12.158  1532.55  106.128  1528.53  150.067  1536.57  150.108  348.305   17.253  349.228   17.213 -0.9223938 24.37115 
1 1 1    4    1   10 o  586.182   18.534  4331.80  271.303  4397.12  383.694  4266.48  383.667  587.806   26.140  578.838   26.543 8.967834 37.25321 
1 1 1    4    1   11 o  408.900   13.713  2096.86  140.025  2107.90  197.928  2085.81  198.123  409.079   19.375  406.908   19.498 2.171844 27.48767 
1 1 1    4    1   12 o  221.987   10.891  616.655   60.376  646.414   73.783  556.345  105.037  226.795   13.083  209.309   20.353 17.48586 24.19555 
1 1 1    4    1   13 o  605.571   27.018  4631.33  408.578  4962.70  577.943  4300.24  577.692  622.615   37.344  578.248   40.258 44.36627 54.91160 
1 1 1    4    1   14 o  658.343   20.318  5443.05  334.021  5407.02  472.157  5479.15  472.596  654.228   28.901  658.620   28.735 -4.392883 40.75437 
1 1 1    4    1   15 o  249.911   9.9554  780.847   62.129  769.327   87.473  792.574   88.260  247.487   14.213  251.219   14.126 -3.732101 20.03925 
1 1 1    4    1   16 o  695.804   21.520  6081.72  373.922  5874.41  528.364  6289.73  529.248  681.619   31.041  705.584   30.037 -23.96454 43.19493 
1 1 1    4    1   17 o  252.603   10.307  797.843   65.016  803.976   91.305  791.534   92.601  252.982   14.514  250.975   14.841 2.006821 20.75826 
1 1 1    4    1   18 o  340.228   17.206  1455.08  145.706  1265.26  206.231  1644.28  205.889  315.695   26.402  360.822   22.970 -45.12735 34.99550 
1 1 1    4    1   19 o  287.952   12.330  1037.77   88.661  819.675  108.472  1476.76  153.895  255.063   17.130  342.563   18.054 -87.49973 24.88704 
1 1 1    4    1   20 o  153.914   10.115  297.607   38.661  219.531   47.683  447.415   66.050  131.521   14.774  188.431   14.140 -56.91054 20.45019 
1 1 1    4    1   21 f  300.311   13.104  1130.24   98.271  1049.88  120.550  1289.43  169.668  288.615   16.799  319.083   21.418 -30.46738 27.21974 
1 1 1    4    1   22 o  563.467   20.206  4005.97  284.310  4281.11  348.776  3461.04  490.843  581.242   24.029  515.512   38.404 65.73004 45.30218 
1 1 1    4    1   23 o  389.837   27.235  1949.68  263.467  1949.68  263.467   0.0000   0.0000  389.837   27.235  ?   ?  0.000000 27.23515 
1 1 1    4    1   24 o  454.023   17.365  2602.39  196.880  2516.96  241.358  2772.27  340.357  445.133   21.713  462.941   29.596 -17.80786 36.70685 
1 1 1    4    1   25 o  423.245   16.660  2263.33  176.080  2104.55  215.852  2579.16  304.419  406.064   21.362  446.578   27.430 -40.51352 34.76719 
1 1 1    4    1   26 o  331.510   13.841  1384.89  114.581  1373.71  140.883  1406.74  196.930  328.917   17.212  330.275   24.042 -1.358643 29.56843 
1 1 1    4    1   27 o  186.730   11.347  439.873   52.662  320.856   65.189  663.441   89.346  158.304   16.745  228.511   15.754 -70.20717 22.99043 
1 1 1    4    1   28 o  304.325   17.242  1178.97  130.495  911.545  186.153  1437.37  182.984  262.860   28.833  334.151   22.053 -71.29111 36.29952 
1 1 1    4    1   29 o   96.935   10.645  119.487   25.344  110.046   33.420  132.264   38.880   92.131   15.046  101.006   15.944 -8.874382 21.92197 
1 1 1    4    1   30 o  234.254   12.487  693.491   72.782  552.485   90.138  957.654  123.374  207.743   17.539  273.682   18.155 -65.93843 25.24339 
1 1 1    4    1   31 o  202.126   10.362  514.868   52.124  586.545   66.142  397.404   84.672  215.368   12.350  175.266   19.687 40.10132 23.23960 
1 1 1    4    1   32 o   69.824   14.029   63.808   23.612   24.641   33.585  102.089   33.202   51.026   19.274   88.464   15.600 -37.43838 24.79636 
1 1 1    4    1   33 o  193.362   20.090  484.906   95.590  484.906   95.590   0.0000   0.0000  193.362   20.090  ?   ?  0.000000 20.08999 
1 1 1    4    1   34 o  156.815   17.676  318.267   68.010   0.0000   0.0000  318.267   68.010  ?   ?   156.815   17.676 0.000000 17.67560 
1 1 1    4    1   35 o  301.752   16.514  1168.46  123.969  1168.46  123.969   0.0000   0.0000  301.752   16.514  ?   ?  0.000000 16.51440 
1 1 1    4    1   36 o   81.304   13.897   86.502   27.201   97.924   41.278   77.735   36.163   85.137   19.791   75.949   19.089 9.187927 27.49711 
1 1 1    4    1   37 o   52.891   17.395   35.180   26.595  -6.9421   64.895   43.683   29.156   55.382   24.334   57.929   18.135 -2.547539 30.34812 
1 1 1    4    1   38 o  186.853   11.235  446.380   52.180  509.476   69.504  364.886   78.990  198.355   14.124  164.964   19.556 33.39024 24.12288 
1 1 1    4    1   39 o   70.239   16.314   67.171   28.066   42.912   44.926   82.699   35.943   60.477   22.403   77.318   18.798 -16.84084 29.24509 
1 1 1    4    1   40 f   50.289   16.836   32.374   24.880   37.971   44.494   29.828   30.011   58.140   22.131   50.491   18.374 7.649418 28.76479 
1 1 1    4    1   41 o   95.585   28.499  142.569   73.154  142.569   73.154   0.0000   0.0000   95.585   28.499  ?   ?  0.000000 28.49891 
1 1 1    4    1   42 o   25.191   12.045 -27.1652   21.389 -16.9765   48.907 -29.5749   23.785   44.421   20.191   26.628   12.723 17.79297 23.86500 
1 1 1    4    1   43 f   92.053   16.327  117.652   36.157  206.064   60.375   68.210   45.149  118.921   21.103   68.168   22.677 50.75354 30.97707 
1 1 1    4    1   44 o  126.368   15.029  218.889   46.495  265.195   72.246  186.149   60.748  132.357   22.674  110.344   22.800 22.01236 32.15509 
1 1 1    4    2    0 o  407.068   18.932  2080.27  192.450  1812.27  271.719  2350.03  272.615  377.487   29.048  430.987   25.443 -53.49988 38.61497 
1 1 1    4    2    1 o  637.599   19.827  5106.30  315.683  5115.86  446.457  5096.75  446.431  636.290   28.098  635.087   28.149 1.203491 39.77288 
1 1 1    4    2    2 o  677.414   20.875  5768.27  353.133  5797.63  499.434  5738.92  499.377  676.866   29.548  673.385   29.697 3.481750 41.89259 
1 1 1    4    2    3 o  211.799   8.9571  560.828   47.374  553.521   66.986  568.141   67.009  209.882   12.843  212.663   12.675 -2.780960 18.04437 
1 1 1    4    2    4 o  113.299   7.4194  161.113   20.876  165.913   29.534  156.322   29.510  114.697   10.425  111.267   10.755 3.430374 14.97867 
1 1 1    4    2    5 o  337.332   11.872  1424.54  100.010  1436.08  141.455  1413.00  141.415  338.258   16.746  335.085   16.955 3.173218 23.83113 
1 1 1    4    2    6 o  215.003   9.0896  578.182   48.802  576.419   69.027  579.943   69.007  214.093   12.972  214.754   12.928 -0.6611328 18.31435 
1 1 1    4    2    7 o  393.405   18.868  1949.49  185.365  1890.67  262.035  2008.41  262.256  384.625   27.462  396.745   26.625 -12.11902 38.24995 
1 1 1    4    2    8 f  423.943   20.063  2269.93  212.398  2302.70  300.409  2237.18  300.343  423.631   28.564  417.363   28.997 6.267548 40.70306 
1 1 1    4    2    9 o  619.956   19.430  4854.19  300.806  4815.67  425.365  4892.73  425.444  613.869   27.748  618.873   27.529 -5.003845 39.08720 
1 1 1    4    2   10 o  148.241   11.013  276.862   40.479   0.0000   0.0000  276.862   40.479  ?   ?   148.241   11.013 0.000000 11.01338 
1 1 1    4    2   11 o  206.246   12.763  535.346   65.409  535.346   65.409   0.0000   0.0000  206.246   12.763  ?   ?  0.000000 12.76258 
1 1 1    4    2   12 o  313.056   11.191  1226.83   87.490  1185.10  123.493  1268.87  123.968  306.838   16.174  317.989   15.612 -11.15079 22.47933 
1 1 1    4    2   13 o  534.458   16.867  3583.47  225.115  3507.31  318.120  3659.86  318.601  527.441   24.153  538.891   23.675 -11.45032 33.82122 
1 1 1    4    2   14 o  353.226   17.438  1564.77  153.818  1582.00  217.022  1547.37  218.044  353.535   24.738  349.547   25.148 3.988525 35.27583 
1 1 1    4    2   15 o  779.582   23.987  7647.01  466.964  7672.19  660.263  7621.80  660.510  777.861   33.991  775.258   34.118 2.603149 48.16036 
1 1 1    4    2   16 o  225.277   9.3726  634.382   52.726  577.181   73.989  693.403   75.157  214.287   13.902  235.057   12.853 -20.76990 18.93291 
1 1 1    4    2   17 o  797.488   24.482  8003.29  487.561  7854.58  689.145  8152.32  689.885  786.822   35.074  801.818   34.455 -14.99670 49.16617 
1 1 1    4    2   18 o  180.669   9.9322  409.339   44.638  370.127   54.740  487.172   77.121  171.498   12.876  196.560   15.846 -25.06187 20.41808 
1 1 1    4    2   19 o  730.692   26.147  6733.83  477.092  6770.58  584.432  6660.42  826.021  730.856   32.022  717.697   46.337 13.15863 56.32507 
1 1 1    4    2   20 f  541.956   24.634  3704.49  333.388  3573.93  471.774  3834.72  471.190  528.183   35.983  547.700   34.629 -19.51691 49.93945 
1 1 1    4    2   21 o  622.144   22.453  4880.86  348.828  4552.22  427.010  5540.13  604.801  599.020   28.546  656.333   37.052 -57.31268 46.77350 
1 1 1    4    2   22 o  518.676   19.083  3387.71  247.164  3093.36  302.579  3977.98  428.479  494.272   24.514  557.437   30.902 -63.16476 39.44474 
1 1 1    4    2   23 o  355.451   14.605  1586.98  129.640  1491.16  158.986  1777.10  223.951  343.430   18.608  373.485   24.141 -30.05508 30.48033 
1 1 1    4    2   24 o  228.184   11.345  652.923   64.648  595.984   79.615  763.134  110.764  217.193   14.767  245.208   18.219 -28.01527 23.45194 
1 1 1    4    2   25 f  150.048   17.084  287.893   62.872  287.893   62.872   0.0000   0.0000  150.048   17.084  ?   ?  0.000000 17.08404 
1 1 1    4    2   26 o  220.238   11.684  611.051   64.029  498.308   78.922  828.150  109.518  197.983   16.103  255.258   17.283 -57.27438 23.62211 
1 1 1    4    2   27 o  106.744   10.116  144.256   26.643  133.536   34.275  160.624   42.352  102.032   13.807  111.705   15.609 -9.673149 20.83905 
1 1 1    4    2   28 o  191.845   10.207  463.365   48.721  485.239   60.924  424.560   81.147  195.934   12.517  181.972   18.097 13.96165 22.00441 
1 1 1    4    2   29 o  199.782   11.077  503.272   55.046  467.276   68.509  568.843   92.465  191.822   14.407  210.899   17.721 -19.07611 22.83896 
1 1 1    4    2   30 o  215.664   13.091  588.604   70.171  672.558  104.047  518.560   95.037  229.170   18.335  200.800   19.187 28.37053 26.53831 
1 1 1    4    2   31 o  383.543   15.651  1863.88  149.906  1796.33  184.497  1995.10  257.155  374.412   19.803  390.754   26.511 -16.34232 33.09041 
1 1 1    4    2   32 o  177.595   11.033  398.334   48.688  384.189   62.030  421.033   78.580  173.696   14.431  181.061   17.602 -7.364700 22.76165 
1 1 1    4    2   33 o  100.231   12.407  128.603   30.391   80.818   41.451  184.150   44.690   77.964   20.875  119.575   15.319 -41.61059 25.89249 
1 1 1    4    2   35 o  224.855   11.847  640.361   66.289  646.953   84.290  629.674  107.323  225.031   15.087  220.239   19.723 4.792068 24.83168 
1 1 1    4    2   36 o  122.921   11.822  192.941   35.842  191.155   49.970  194.835   51.438  120.938   17.017  122.006   17.374 -1.067551 24.31914 
1 1 1    4    2   37 o   90.272   13.436  106.048   29.365  117.670   44.834   97.316   38.861   93.302   19.852   84.964   18.813 8.337135 27.35018 
1 1 1    4    2   38 o  117.217   11.958  176.803   34.513  215.643   49.922  141.244   47.767  128.208   15.937  102.138   19.438 26.06918 25.13608 
1 1 1    4    2   39 o  118.007   14.363  182.495   41.451  262.512   80.181  153.309   48.424  136.555   24.409  106.189   18.957 30.36530 30.90590 
1 1 1    4    2   40 o   50.142   16.556   32.210   24.083   47.541   44.124   25.705   28.742   61.834   22.314   48.317   17.915 13.51636 28.61543 
1 1 1    4    2   41 o  115.123   13.363  174.427   37.702  189.850   56.814  162.291   50.398  116.574   20.252  108.073   19.387 8.501480 28.03521 
1 1 1    4    2   42 f   46.092   17.227   23.462   26.680   1.4554   50.715   31.884   31.372   49.445   21.624   51.524   18.781 -2.078411 28.64080 
1 1 1    4    2   43 o   43.670   17.447   16.405   28.743   26.003   55.197   12.834   33.668   56.600   23.570   44.655   18.487 11.94439 29.95514 
1 1 1    4    2   44 o   77.824   18.346   87.269   35.072  107.897   61.412   77.286   42.724   82.045   26.396   71.821   21.863 10.22429 34.27394 
1 1 1    4    3    0 o  810.070   34.354  8346.85  694.941  9489.58  984.683  7212.85  980.917  856.278   46.221  741.856   53.305 114.4218 70.55371 
1 1 1    4    3    1 o  790.925   24.286  7883.00  479.668  8017.92  678.512  7748.21  678.195  794.086   34.217  780.373   34.802 13.71271 48.80526 
1 1 1    4    3    2 o  332.897   11.740  1386.71   97.599  1414.42  138.063  1359.04  137.989  335.854   16.462  328.752   16.865 7.101654 23.56738 
1 1 1    4    3    3 o  545.138   17.234  3728.51  234.609  3726.71  331.788  3730.31  331.788  543.681   24.438  543.946   24.426 -0.2657471 34.55210 
1 1 1    4    3    4 o  815.182   24.819  8384.42  505.225  8290.67  714.392  8478.24  714.602  806.244   35.483  815.502   35.090 -9.258179 49.90366 
1 1 1    4    3    5 o  608.221   19.095  4649.92  290.026  4699.01  410.208  4600.84  410.109  609.413   26.955  602.930   27.238 6.483459 38.32117 
1 1 1    4    3    6 o  473.309   15.382  2810.73  181.805  2822.45  257.129  2799.02  257.092  473.147   21.762  471.161   21.851 1.986115 30.83923 
1 1 1    4    3    7 o  563.467   17.829  3994.48  250.867  4030.17  354.827  3958.80  354.733  563.853   25.200  558.763   25.423 5.089355 35.79606 
1 1 1    4    3    8 f  401.543   13.497  2023.35  135.341  2040.06  191.438  2006.66  191.365  402.195   19.061  398.857   19.213 3.337891 27.06386 
1 1 1    4    3    9 o  615.021   27.735  4832.33  425.955  4767.80  602.307  4896.88  602.476  602.239   40.282  610.791   39.716 -8.552856 56.56831 
1 1 1    4    3   10 o  551.650   24.578  3868.50  338.575  3457.22  478.045  4282.45  479.593  514.290   37.481  575.148   33.537 -60.85822 50.29495 
1 1 1    4    3   11 f  301.353   11.005  1137.59   82.818  1153.39  117.073  1121.77  117.172  302.557   15.548  298.329   15.784 4.228485 22.15575 
1 1 1    4    3   12 o  396.478   13.238  1970.33  131.063  2009.10  185.275  1931.49  185.427  399.614   18.566  391.757   18.954 7.856415 26.53237 
1 1 1    4    3   13 o  422.532   14.022  2236.89  147.953  2222.96  209.079  2250.87  209.395  420.474   19.912  423.120   19.818 -2.645203 28.09339 
1 1 1    4    3   14 o  469.023   15.272  2756.36  178.874  2857.70  252.922  2654.96  253.009  476.785   21.243  459.441   22.052 17.34445 30.61973 
1 1 1    4    3   15 o  602.372   18.903  4552.71  284.345  4474.99  401.877  4630.62  402.373  595.699   27.016  606.063   26.586 -10.36432 37.90361 
1 1 1    4    3   16 o  908.139   39.602 10508.26  898.085 10472.22  1269.55 10544.36  1270.62  895.380   57.077  898.577   56.919 -3.196960 80.60746 
1 1 1    4    3   17 o  415.481   13.785  2160.67  143.022  2082.00  201.897  2239.91  202.632  407.311   19.850  422.544   19.204 -15.23273 27.61865 
1 1 1    4    3   18 o  494.357   18.410  3065.16  227.274  2991.67  278.290  3212.33  393.828  487.805   22.846  502.967   31.515 -15.16254 38.92428 
1 1 1    4    3   19 o  663.827   23.596  5545.49  391.153  5229.08  478.763  6180.70  678.344  643.113   29.811  695.000   39.246 -51.88647 49.28453 
1 1 1    4    3   20 o  512.050   18.219  3290.78  232.966  2883.80  284.937  4111.38  404.609  478.460   23.848  570.234   28.414 -91.77414 37.09557 
1 1 1    4    3   21 o  512.240   23.262  3308.38  297.556  3431.33  421.601  3186.35  420.020  518.232   32.747  498.901   33.915 19.33084 47.14403 
1 1 1    4    3   22 f  1044.22   37.011 14017.34  965.101 14504.36  1182.69 13046.66  1669.68  1055.09   44.888  971.371   69.287 83.71960 82.55699 
1 1 1    4    3   23 o  350.645   14.416  1543.38  126.228  1369.21  154.678  1890.61  218.403  329.113   18.900  385.917   22.764 -56.80420 29.58694 
1 1 1    4    3   24 f  401.207   15.900  2025.43  159.300  1933.69  195.330  2207.62  275.273  390.622   20.093  415.166   26.693 -24.54340 33.41013 
1 1 1    4    3   25 o  565.988   20.827  4063.21  294.368  4128.54  360.928  3933.42  508.728  568.347   25.431  546.300   37.518 22.04657 45.32491 
1 1 1    4    3   26 o  338.765   24.770  1477.31  208.087  1477.31  208.087   0.0000   0.0000  338.765   24.770  ?   ?  0.000000 24.76955 
1 1 1    4    3   27 o  147.958   9.8061  275.771   36.026  283.666   45.319  262.215   59.382  149.710   12.229  142.985   16.961 6.725067 20.91021 
1 1 1    4    3   28 o  167.195   10.105  352.112   41.992  353.860   52.638  349.051   69.640  167.190   12.703  165.120   17.139 2.069809 21.33314 
1 1 1    4    3   29 o   77.937   11.298   77.918   21.347   60.473   28.627   99.770   32.038   67.762   16.958   87.634   15.191 -19.87271 22.76695 
1 1 1    4    3   30 o   95.664   11.151  116.591   26.140   92.081   34.460  149.806   40.116   83.730   17.060  107.790   15.336 -24.06032 22.93989 
1 1 1    4    3   31 o  233.064   14.933  689.721   86.454  588.344  125.822  780.390  118.992  212.267   24.168  246.575   19.484 -34.30815 31.04343 
1 1 1    4    3   32 o  203.206   11.449  521.295   57.858  481.320   72.702  590.343   95.550  194.436   15.092  214.630   17.994 -20.19354 23.48453 
1 1 1    4    3   33 o  102.456   11.890  133.985   29.856  106.523   41.236  164.245   43.285   89.715   18.998  112.747   15.808 -23.03268 24.71465 
1 1 1    4    3   34 o  199.746   14.671  508.151   72.668  508.151   72.668   0.0000   0.0000  199.746   14.671  ?   ?  0.000000 14.67116 
1 1 1    4    3   35 o  220.163   12.483  614.340   68.347  541.514   86.407  736.062  111.709  205.332   17.005  238.870   18.881 -33.53746 25.40985 
1 1 1    4    3   36 o   95.414   23.689  123.811   56.181  123.811   56.181   0.0000   0.0000   95.414   23.689  ?   ?  0.000000 23.68858 
1 1 1    4    3   37 o  173.310   11.536  381.998   49.642  382.402   65.582  381.456   75.967  172.185   15.416  170.966   18.067 1.219330 23.75010 
1 1 1    4    3   38 o  163.499   11.125  340.637   45.150  395.191   61.170  275.345   66.920  175.130   14.107  144.061   19.071 31.06880 23.72122 
1 1 1    4    3   39 o  233.162   11.216  692.274   65.305  827.563   85.395  501.694  101.354  253.475   13.540  192.665   21.429 60.81075 25.34855 
1 1 1    4    3   40 o   85.472   17.285   99.329   35.625   48.091   72.781  115.472   40.853   69.280   27.733   91.863   18.450 -22.58298 33.30890 
1 1 1    4    3   41 o  161.905   12.061  339.357   48.413  381.237   67.720  295.580   69.237  169.306   16.216  147.042   19.324 22.26344 25.22626 
1 1 1    4    3   42 o   36.963   15.406   5.8557   23.608 -16.7629   48.030   13.061   27.108   44.457   20.129   41.883   16.869 2.574478 26.26255 
1 1 1    4    3   43 o   54.966   17.783   40.752   27.846   30.786   52.094   44.739   32.947   57.356   23.284   57.675   19.374 -0.3187714 30.29030 
1 1 1    4    3   44 f  106.673   33.420  202.681   98.996  202.681   98.996   0.0000   0.0000  106.673   33.420  ?   ?  0.000000 33.41973 
1 1 1    4    3   45 o   88.086   18.169  111.513   38.639  131.124   67.670  102.026   47.066   88.661   27.607   81.576   22.414 7.085030 35.56041 
1 1 1    4    4    0 o  856.498   55.053  9665.26  1171.25  9665.26  1171.25   0.0000   0.0000  856.498   55.053  ?   ?  0.000000 55.05282 
1 1 1    4    4    1 o  320.179   23.320  1298.27  185.174  1298.27  185.174   0.0000   0.0000  320.179   23.320  ?   ?  0.000000 23.32012 
1 1 1    4    4    2 o  252.354   9.6996  796.381   61.125  777.800   86.424  814.977   86.462  248.794   13.967  254.727   13.642 -5.932053 19.52397 
1 1 1    4    4    3 o  598.207   18.625  4494.37  278.221  4540.33  393.507  4448.42  393.420  599.524   26.284  593.355   26.552 6.169189 37.36106 
1 1 1    4    4    4 o  342.089   11.745  1464.70  100.335  1510.64  141.965  1418.84  141.826  347.016   16.382  335.829   16.967 11.18774 23.58505 
1 1 1    4    4    5 o  337.987   11.846  1430.11   99.981  1448.74  141.421  1411.49  141.367  339.741   16.669  334.893   16.959 4.848053 23.77986 
1 1 1    4    4    6 o  273.227   10.329  934.184   70.475  904.934   99.626  963.482   99.707  268.181   14.935  276.809   14.475 -8.628571 20.79856 
1 1 1    4    4    7 o  963.777   29.621 11841.44  712.901 11853.12  1008.22 11829.76  1008.17  954.087   42.317  953.108   42.359 0.9791870 59.87473 
1 1 1    4    4    8 o  295.116   10.863  1090.95   80.055  1093.35  113.225  1088.56  113.204  294.559   15.447  293.906   15.479 0.6530151 21.86762 
1 1 1    4    4    9 o  385.089   18.621  1870.78  179.064   0.0000   0.0000  1870.78  179.064  ?   ?   385.089   18.621 0.000000 18.62069 
1 1 1    4    4   10 o  428.514   14.075  2306.43  150.616  2238.33  212.884  2374.68  213.123  420.803   20.259  433.578   19.684 -12.77542 28.24671 
1 1 1    4    4   11 o  613.646   27.431  4799.86  420.353  4501.76  593.972  5098.96  594.968  585.816   40.858  625.428   38.279 -39.61249 55.98840 
1 1 1    4    4   12 o  655.792   29.243  5476.50  478.901  5332.37  677.005  5620.85  677.532  638.872   42.681  656.761   41.525 -17.88940 59.54845 
1 1 1    4    4   13 o  807.268   24.550  8228.55  494.906  8439.85  700.031  8017.40  699.775  813.176   34.473  792.106   35.377 21.06982 49.39591 
1 1 1    4    4   14 o  663.813   20.377  5537.55  337.785  5762.16  477.827  5313.17  477.575  675.114   28.343  647.939   29.516 27.17511 40.92073 
1 1 1    4    4   15 o  437.695   14.391  2398.92  157.298  2341.46  222.193  2456.66  222.714  431.769   20.608  442.318   20.163 -10.54938 28.83108 
1 1 1    4    4   16 o  749.068   23.049  7054.65  431.154  6986.05  609.505  7123.35  609.982  742.773   32.860  750.130   32.563 -7.357605 46.26200 
1 1 1    4    4   17 o  242.420   19.606  742.127  117.673  742.127  117.673   0.0000   0.0000  242.420   19.606  ?   ?  0.000000 19.60609 
1 1 1    4    4   18 o  955.589   33.614 11569.41  802.125 11783.23  982.644 11142.41  1388.63  961.011   40.947  921.089   60.712 39.92218 73.22971 
1 1 1    4    4   19 o  466.595   17.302  2729.47  201.597  2508.94  246.704  3172.67  349.745  446.771   22.113  500.621   28.090 -53.85016 35.74928 
1 1 1    4    4   20 o  675.950   24.298  5755.27  410.150  5605.53  502.250  6055.03  710.623  665.508   30.221  686.372   41.657 -20.86383 51.46501 
1 1 1    4    4   21 o  240.464   11.447  723.580   68.738  659.964   84.344  849.393  118.613  229.004   14.829  259.431   18.429 -30.42688 23.65391 
1 1 1    4    4   22 o  401.536   15.769  2023.18  158.113  1910.30  193.732  2248.35  273.624  389.083   20.007  420.681   26.176 -31.59723 32.94654 
1 1 1    4    4   23 o  220.930   14.297  614.933   78.453  453.658  112.043  770.057  109.886  187.760   24.479  246.755   17.956 -58.99455 30.35828 
1 1 1    4    4   24 o  202.147   10.596  513.240   53.304  505.898   65.833  527.217   90.828  200.360   13.232  203.770   18.036 -3.410217 22.36938 
1 1 1    4    4   25 o  528.796   19.758  3537.65  260.905  3518.91  319.819  3574.94  451.121  525.606   24.366  523.482   34.707 2.124695 42.40597 
1 1 1    4    4   26 o  218.952   11.338  603.217   61.779  560.262   76.278  685.125  105.330  210.446   14.605  232.010   18.329 -21.56421 23.43653 
1 1 1    4    4   27 o   86.007   11.120   94.396   23.324   51.660   30.024  159.437   37.040   63.119   18.106  111.743   13.551 -48.62347 22.61560 
1 1 1    4    4   28 f  308.876   23.403  1229.60  179.169  1229.60  179.169   0.0000   0.0000  308.876   23.403  ?   ?  0.000000 23.40268 
1 1 1    4    4   29 o  118.548   9.9484  177.599   29.179  177.202   37.571  178.202   46.317  117.922   12.973  117.609   16.201 0.3135300 20.75499 
1 1 1    4    4   30 o  117.497   10.057  174.576   29.223  175.706   37.979  172.934   45.754  117.354   13.188  115.771   16.276 1.582764 20.94813 
1 1 1    4    4   31 o  222.224   12.025  623.412   66.481  528.000   82.519  799.879  112.223  203.474   16.379  250.187   18.084 -46.71320 24.39906 
1 1 1    4    4   32 o   83.902   12.728   90.680   25.831   46.753   35.578  139.648   37.564   61.516   20.114  104.073   14.877 -42.55697 25.01810 
1 1 1    4    4   33 o  243.776   20.288  765.640  122.380   0.0000   0.0000  765.640  122.380  ?   ?   243.776   20.288 0.000000 20.28762 
1 1 1    4    4   34 o   46.094   15.029   25.996   19.869   30.734   32.292   23.109   25.206   53.113   19.098   46.600   16.857 6.513210 25.47373 
1 1 1    4    4   35 o  234.421   11.857  694.782   69.184  700.019   87.470  686.032  113.066  234.432   15.020  230.389   19.846 4.042923 24.88956 
1 1 1    4    4   36 o  205.651   11.027  534.794   56.421  587.535   72.895  455.986   89.106  214.876   13.656  187.361   19.322 27.51556 23.66073 
1 1 1    4    4   37 o   80.459   24.495   86.613   53.629   86.613   53.629   0.0000   0.0000   80.459   24.495  ?   ?  0.000000 24.49477 
1 1 1    4    4   38 o  269.513   13.132  925.361   88.379  898.899  111.382  970.341  145.215  263.363   17.027  270.668   21.666 -7.305573 27.55616 
1 1 1    4    4   39 o  153.561   11.800  301.934   44.902  305.756   61.213  297.482   66.066  152.855   16.287  150.008   17.996 2.847397 24.27191 
1 1 1    4    4   40 o   51.882   16.674   34.717   24.510 -13.0410   43.414   57.060   29.694   43.560   19.477   64.786   17.804 -21.22645 26.38843 
1 1 1    4    4   41 o  117.308   15.445  182.674   44.144  151.081   82.039  195.549   52.372   99.507   30.296  120.220   17.999 -20.71380 35.23952 
1 1 1    4    4   42 o   46.929   16.801   25.995   24.965  -2.4987   47.370   36.953   29.376   47.450   20.821   53.699   18.292 -6.249008 27.71475 
1 1 1    4    4   43 o   81.995   16.361   92.288   32.327  116.540   55.935   80.125   39.613   88.435   24.490   74.844   20.562 13.59103 31.97769 
1 1 1    4    4   44 o   93.054   16.600  119.458   37.158   63.564   60.692  152.972   46.996   68.660   25.917  104.329   18.727 -35.66890 31.97436 
1 1 1    4    4   45 o   89.662   32.890  142.205   96.435  142.205   96.435   0.0000   0.0000   89.662   32.890  ?   ?  0.000000 32.89014 
1 1 1    4    5    0 o  662.754   29.490  5574.57  488.069  5601.69  690.241  5547.45  690.228  657.571   42.258  654.246   42.477 3.324829 59.91742 
1 1 1    4    5    1 o  663.080   42.746  5692.92  704.038  5692.92  704.038   0.0000   0.0000  663.080   42.746  ?   ?  0.000000 42.74640 
1 1 1    4    5    2 o  444.219   16.890  2476.46  187.359  2432.46  229.388  2564.63  324.738  439.663   20.893  448.911   29.126 -9.248291 35.84426 
1 1 1    4    5    3 o  1073.79   37.343 14759.96  1001.32 14320.51  1225.89 15640.89  1735.68  1050.39   46.736  1077.51   64.807 -27.12634 79.90118 
1 1 1    4    5    4 o  740.331   22.908  6910.89  423.515  6922.54  598.952  6899.25  598.929  737.305   32.531  736.039   32.585 1.265808 46.04414 
1 1 1    4    5    5 o  467.302   15.186  2739.10  177.207  2798.85  250.679  2679.41  250.539  471.331   21.298  461.073   21.760 10.25711 30.44827 
1 1 1    4    5    6 o  602.154   18.967  4562.88  285.209  4575.71  403.368  4550.06  403.324  600.635   26.893  598.923   26.967 1.712097 38.08483 
1 1 1    4    5    7 o  932.480   28.546 11074.83  664.723 11019.65  940.007 11130.02  940.115  920.672   40.886  925.456   40.679 -4.783691 57.67567 
1 1 1    4    5    8 o  454.706   21.152  2613.68  240.176   0.0000   0.0000  2613.68  240.176  ?   ?   454.706   21.152 0.000000 21.15187 
1 1 1    4    5    9 o  276.435   14.649  962.908  100.762  962.908  100.762   0.0000   0.0000  276.435   14.649  ?   ?  0.000000 14.64891 
1 1 1    4    5   10 o  329.097   11.444  1357.65   94.047  1400.83  133.070  1314.55  132.937  333.667   15.970  322.725   16.551 10.94214 22.99979 
1 1 1    4    5   11 o  164.687   7.9707  339.245   32.780  367.716   46.392  310.856   46.324  170.981   10.922  157.030   11.902 13.95145 16.15388 
1 1 1    4    5   12 o  326.034   11.477  1331.38   93.442  1423.49  132.191  1239.40  132.102  336.663   15.724  313.546   16.934 23.11694 23.10874 
1 1 1    4    5   13 o  1067.64   47.121 14842.49  1256.29 14422.35  1776.00 15263.25  1777.33  1025.93   69.736  1058.32   67.604 -32.39001 97.12615 
1 1 1    4    5   14 o  565.560   17.657  4013.52  249.370  4092.57  352.616  3934.43  352.707  569.740   24.784  558.513   25.289 11.22778 35.40887 
1 1 1    4    5   15 o  651.333   20.173  5327.47  328.107  5449.26  464.002  5205.67  464.025  656.920   28.285  641.899   28.948 15.02136 40.47282 
1 1 1    4    5   16 o  361.647   12.533  1636.39  113.182  1647.80  159.839  1624.90  160.290  362.539   17.655  359.996   17.830 2.542755 25.09243 
1 1 1    4    5   17 o  408.374   15.746  2088.87  160.572  2083.27  196.612  2100.08  278.255  407.501   19.321  407.247   27.523 0.2539978 33.62739 
1 1 1    4    5   18 o  329.169   13.441  1356.02  110.485  1380.91  135.326  1306.26  191.335  331.994   16.323  321.382   24.014 10.61197 29.03682 
1 1 1    4    5   19 o  315.021   23.016  1254.38  179.803  1254.38  179.803   0.0000   0.0000  315.021   23.016  ?   ?  0.000000 23.01568 
1 1 1    4    5   20 o  551.965   20.099  3826.20  277.031  3623.38  339.130  4232.99  480.291  536.224   25.326  576.680   33.496 -40.45599 41.99286 
1 1 1    4    5   21 o  360.703   14.446  1629.99  130.118  1603.75  159.484  1682.23  225.022  357.470   17.866  364.414   24.876 -6.943512 30.62705 
1 1 1    4    5   22 o  530.503   19.631  3539.61  260.065  3372.28  318.480  3874.49  450.542  516.726   24.682  550.505   32.924 -33.78003 41.14850 
1 1 1    4    5   23 o  326.848   13.430  1339.26  109.614  1096.22  134.226  1825.85  189.923  294.639   18.334  380.172   20.077 -85.53333 27.18821 
1 1 1    4    5   24 o  259.619   14.913  849.320   96.279  763.885  137.207  932.192  135.134  244.657   22.717  271.057   20.108 -26.40018 30.33781 
1 1 1    4    5   25 o  157.217   10.267  310.957   40.088  266.560   49.767  392.993   67.649  145.013   13.914  176.066   15.546 -31.05386 20.86337 
1 1 1    4    5   26 o  257.438   11.989  831.949   77.074  790.689   94.902  911.895  132.100  250.104   15.268  267.563   19.914 -17.45837 25.09317 
1 1 1    4    5   27 o  336.941   13.594  1428.74  114.378  1472.88  140.681  1342.68  196.451  341.473   16.498  322.923   24.545 18.54916 29.57453 
1 1 1    4    5   28 o  395.490   15.834  1976.10  156.379  1902.06  191.939  2122.29  269.698  386.191   19.971  404.646   26.843 -18.45514 33.45684 
1 1 1    4    5   29 f  242.958   20.496  757.599  123.192  757.599  123.192   0.0000   0.0000  242.958   20.496  ?   ?  0.000000 20.49626 
1 1 1    4    5   30 o  254.261   11.320  812.681   71.877  871.167   89.233  704.620  121.293  262.504   13.660  233.970   20.983 28.53403 25.03739 
1 1 1    4    5   31 o   82.285   10.788   86.510   21.634  102.598   30.388   69.976   30.807   89.101   14.129   72.840   17.210 16.26115 22.26649 
1 1 1    4    5   32 o  174.766   10.373  385.022   45.069  403.808   57.456  354.976   72.663  178.523   12.977  166.227   17.781 12.29662 22.01254 
1 1 1    4    5   33 o  177.870   11.278  399.580   49.836  363.721   63.238  458.351   80.957  168.874   15.157  189.163   17.331 -20.28870 23.02387 
1 1 1    4    5   34 o  155.323   14.150  307.443   54.280  210.844   84.487  375.342   70.833  124.687   27.839  171.090   16.796 -46.40345 32.51266 
1 1 1    4    5   35 o  263.422   12.957  876.294   85.232  807.866  106.390  998.903  142.411  251.352   17.051  278.148   20.650 -26.79601 26.77984 
1 1 1    4    5   36 o  137.178   12.185  239.416   41.307  168.582   54.920  331.683   62.681  112.892   20.224  160.731   15.822 -47.83939 25.67771 
1 1 1    4    5   37 f   95.530   12.884  117.616   29.951  110.196   44.623  123.700   40.405   90.634   20.229   96.892   17.336 -6.257568 26.64079 
1 1 1    4    5   38 o  144.235   22.681  279.510   78.995  279.510   78.995   0.0000   0.0000  144.235   22.681  ?   ?  0.000000 22.68054 
1 1 1    4    5   39 o  119.248   12.453  182.963   36.535  176.533   52.429  189.033   50.940  114.960   18.921  119.547   17.589 -4.586456 25.83412 
1 1 1    4    5   40 o  188.844   12.071  457.184   56.627  464.285   75.677  448.150   85.361  188.354   16.248  183.571   18.891 4.782364 24.91722 
1 1 1    4    5   41 o   76.210   16.008   78.514   29.496   40.141   48.250  101.410   37.271   60.553   23.047   86.189   17.902 -25.63590 29.18334 
1 1 1    4    5   42 o   89.753   14.960  107.776   32.349  102.714   52.307  110.911   41.167   84.296   23.803   89.418   19.021 -5.121727 30.46963 
1 1 1    4    5   43 o   79.222   17.350   86.761   33.374  168.049   75.499   67.020   37.206  104.489   28.256   69.019   20.260 35.47068 34.76851 
1 1 1    4    5   44 f   99.301   15.265  133.253   36.641  177.616   61.624  108.993   45.572  110.096   23.149   86.764   21.211 23.33190 31.39738 
1 1 1    4    5   45 o   91.879   16.619  117.061   36.726  177.662   64.047   87.373   44.828  108.251   24.290   76.671   22.162 31.58031 32.88112 
1 1 1    4    6    0 o  768.496   34.008  7562.77  652.638  7378.11  922.601  7747.73  923.339  747.145   49.733  766.750   48.473 -19.60425 69.44787 
1 1 1    4    6    1 o  477.616   22.083  2877.40  263.387  2888.71  372.456  2866.08  372.516  475.071   31.575  473.147   31.712 1.924408 44.75059 
1 1 1    4    6    2 f  391.068   27.029  1946.78  262.334  1946.78  262.334   0.0000   0.0000  391.068   27.029  ?   ?  0.000000 27.02865 
1 1 1    4    6    3 o  647.932   28.616  5329.22  463.008  4937.27  654.118  5722.78  655.468  616.133   42.779  665.380   39.628 -49.24713 58.31314 
1 1 1    4    6    4 f  1057.42   37.555 14371.66  991.659 14146.39  1214.27 14822.79  1718.35  1040.99   46.711  1041.14   66.439 -0.1499023 81.21571 
1 1 1    4    6    5 o  147.999   8.9883  274.976   33.062  297.358   40.517  230.373   57.196  153.769   10.617  134.278   17.471 19.49071 20.44378 
1 1 1    4    6    6 o  334.202   11.660  1399.10   97.306  1396.07  137.619  1402.14  137.605  333.294   16.535  334.022   16.497 -0.7277222 23.35711 
1 1 1    4    6    7 o  366.787   12.597  1686.75  115.385  1730.25  163.240  1643.31  163.118  370.752   17.632  360.784   18.163 9.967804 25.31370 
1 1 1    4    6    8 o  275.706   10.389  952.057   71.530  950.063  101.154  954.051  101.163  274.586   14.807  275.169   14.776 -0.5828552 20.91829 
1 1 1    4    6    9 o  295.888   10.791  1097.01   79.733  1043.52  112.688  1150.63  112.831  287.591   15.751  302.546   14.934 -14.95514 21.70548 
1 1 1    4    6   10 o  990.261   30.478 12587.30  753.680 12648.90  1065.94 12525.71  1065.79  978.796   43.611  973.751   43.830 5.045044 61.82999 
1 1 1    4    6   11 o  382.714   12.839  1837.21  122.704  1823.74  173.527  1850.69  173.533  380.417   18.267  383.244   18.132 -2.826843 25.73817 
1 1 1    4    6   12 o  148.810   7.4961  277.562   27.767  292.625   39.273  262.507   39.263  152.544   10.371  144.377   10.972 8.166962 15.09818 
1 1 1    4    6   13 f  346.776   11.583  1505.41  100.308  1628.42  141.898  1382.54  141.817  360.265   15.773  331.365   17.198 28.89990 23.33514 
1 1 1    4    6   14 o  793.991   24.058  7944.78  477.002  7806.60  674.320  8083.17  674.844  783.253   34.476  797.257   33.896 -14.00348 48.34818 
1 1 1    4    6   15 o  408.182   19.369  2091.49  197.434  2134.65  279.199  2048.32  279.227  410.393   27.401  401.839   28.001 8.553711 39.17765 
1 1 1    4    6   16 o  420.813   13.532  2216.41  142.199  2020.62  200.658  2413.94  201.544  401.220   20.027  438.715   18.397 -37.49451 27.19429 
1 1 1    4    6   17 o  619.427   22.348  4821.31  345.692  4914.54  423.447  4635.01  598.579  624.444   27.155  601.886   40.054 22.55798 48.39129 
1 1 1    4    6   18 o  761.042   27.115  7299.56  515.305  7289.48  631.090  7319.75  892.610  758.722   33.309  753.422   47.689 5.299805 58.16976 
1 1 1    4    6   19 o  364.954   14.472  1667.61  131.895  1717.88  161.592  1567.29  228.294  370.179   17.481  351.761   26.177 18.41782 31.47699 
1 1 1    4    6   20 o  506.587   23.054  3228.25  291.643  3228.25  291.643   0.0000   0.0000  506.587   23.054  ?   ?  0.000000 23.05405 
1 1 1    4    6   21 o  284.311   21.617  1022.38  152.324  1022.38  152.324   0.0000   0.0000  284.311   21.617  ?   ?  0.000000 21.61674 
1 1 1    4    6   22 o  197.823   10.309  490.888   50.751  494.746   62.467  483.396   87.044  198.370   12.677  195.370   18.045 2.999466 22.05297 
1 1 1    4    6   23 o  557.626   20.277  3916.52  282.349  4080.66  346.169  3590.30  488.020  568.084   24.402  527.259   37.306 40.82562 44.57777 
1 1 1    4    6   24 o  141.850   10.264  253.211   36.113  184.636   44.720  381.757   61.228  120.311   15.226  173.840   14.229 -53.52877 20.83938 
1 1 1    4    6   25 o  317.918   13.144  1268.52  104.347  1300.19  128.233  1206.43  179.524  321.468   15.974  307.435   23.563 14.03241 28.46746 
1 1 1    4    6   26 o  298.639   16.291  1127.30  121.030  981.290  172.047  1270.34  170.290  276.168   25.226  315.621   21.738 -39.45322 33.30017 
1 1 1    4    6   27 o  645.745   23.668  5325.88  381.658  5355.72  467.800  5266.48  660.017  643.873   29.094  625.604   42.500 18.26855 51.50464 
1 1 1    4    6   28 o  414.293   16.438  2169.49  170.060  1949.28  208.493  2607.22  293.955  390.482   21.464  449.220   26.319 -58.73773 33.96169 
1 1 1    4    6   29 o  445.034   17.405  2509.59  193.431  2281.45  237.135  2963.23  334.383  421.657   22.603  477.229   28.184 -55.57233 36.12788 
1 1 1    4    6   30 o  213.464   11.419  574.377   60.650  531.370   75.294  653.842  102.349  204.616   14.837  226.195   18.276 -21.57942 23.53983 
1 1 1    4    6   31 f  219.623   19.930  619.810  108.111  619.810  108.111   0.0000   0.0000  219.623   19.930  ?   ?  0.000000 19.92959 
1 1 1    4    6   32 o  159.891   17.045  327.829   67.007   0.0000   0.0000  327.829   67.007  ?   ?   159.891   17.045 0.000000 17.04494 
1 1 1    4    6   33 o  123.305   14.227  194.508   43.004  194.508   43.004   0.0000   0.0000  123.305   14.227  ?   ?  0.000000 14.22742 
1 1 1    4    6   34 o  221.433   11.687  618.982   64.394  604.150   81.030  644.404  106.082  217.992   14.976  223.928   19.155 -5.935715 24.31458 
1 1 1    4    6   35 o  123.845   15.051  197.039   45.590   51.598   73.439  288.233   58.152   73.807   28.352  149.945   15.767 -76.13787 32.44133 
1 1 1    4    6   36 o  190.159   11.849  457.747   55.985  418.745   72.097  516.989   88.855  180.773   16.141  200.439   17.942 -19.66531 24.13369 
1 1 1    4    6   37 o  240.467   11.251  729.534   67.562  821.643   86.443  584.938  108.307  254.223   13.667  211.812   20.743 42.41100 24.84015 
1 1 1    4    6   38 o  122.006   12.250  190.417   36.818  169.392   51.994  211.562   52.143  113.067   19.095  127.399   16.800 -14.33257 25.43305 
1 1 1    4    6   39 o  123.979   12.516  197.367   38.219  163.332   53.670  232.382   54.438  110.201   20.249  133.284   16.724 -23.08265 26.26246 
1 1 1    4    6   40 o   88.977   27.425  111.431   66.973  111.431   66.973   0.0000   0.0000   88.977   27.425  ?   ?  0.000000 27.42487 
1 1 1    4    6   41 o  105.207   12.937  144.119   33.273  179.830   51.696  118.862   43.475  115.436   18.562   93.125   19.328 22.31154 26.79793 
1 1 1    4    6   42 o  167.315   12.211  361.687   50.669  373.907   69.861  348.125   73.599  167.610   16.923  160.601   18.702 7.009079 25.22176 
1 1 1    4    6   43 o  115.136   14.007  174.955   39.443  138.937   59.575  203.066   52.630   97.368   24.517  122.288   17.753 -24.92020 30.26988 
1 1 1    4    6   44 o   63.336   18.798   55.816   31.880   83.962   75.297   49.668   35.190   77.372   28.935   60.554   20.014 16.81811 35.18261 
1 1 1    4    6   45 o  119.164   14.828  190.792   43.171  165.261   67.147  208.782   56.364  103.597   25.997  122.042   19.123 -18.44469 32.27264 
1 1 1    4    6   46 o   88.079   17.793  109.901   37.788  137.602   66.782   96.855   45.830   92.264   27.160   80.258   22.145 12.00675 35.04389 
1 1 1    4    7    0 o  566.684   25.683  4081.09  363.449  4005.17  513.770  4157.15  514.219  554.926   37.292  565.817   36.589 -10.89063 52.24411 
1 1 1    4    7    1 o  135.917   11.138  232.923   37.472  233.788   52.917  232.053   53.070  135.482   15.946  134.951   16.063 0.5316162 22.63437 
1 1 1    4    7    2 o  407.780   19.429  2095.41  197.845  2059.41  279.655  2131.47  279.936  401.346   28.080  408.497   27.604 -7.151306 39.37615 
1 1 1    4    7    3 o  402.850   27.727  2073.01  277.236  2073.01  277.236   0.0000   0.0000  402.850   27.727  ?   ?  0.000000 27.72730 
1 1 1    4    7    4 o  161.720   11.547  329.262   46.325  306.321   65.366  352.410   65.661  155.149   17.159  166.735   15.965 -11.58623 23.43718 
1 1 1    4    7    5 o  389.006   18.736  1906.16  182.003  1897.70  257.342  1914.62  257.441  385.468   26.903  387.229   26.788 -1.760986 37.96524 
1 1 1    4    7    6 o  375.460   14.814  1770.41  138.897  1722.85  170.037  1865.79  240.794  369.798   18.413  382.512   25.352 -12.71390 31.33351 
1 1 1    4    7    7 o  895.999   60.190 11093.90  1338.92   0.0000   0.0000 11093.90  1338.92  ?   ?   895.999   60.190 0.000000 60.19003 
1 1 1    4    7    8 o  610.132   27.345  4752.39  416.634  4752.39  416.634   0.0000   0.0000  610.132   27.345  ?   ?  0.000000 27.34516 
1 1 1    4    7    9 o  415.151   13.860  2164.67  143.690  2196.41  203.244  2132.94  203.173  416.981   19.519  410.842   19.803 6.138855 27.80567 
1 1 1    4    7   10 o  403.625   13.501  2045.17  136.081  1958.84  192.353  2131.67  192.543  393.848   19.558  411.040   18.758 -17.19260 27.09946 
1 1 1    4    7   11 o  486.239   15.716  2971.91  190.832  2978.98  269.900  2964.83  269.856  485.183   22.276  484.015   22.327 1.168121 31.53915 
1 1 1    4    7   12 o  199.183   8.4514  496.188   42.037  492.848   59.457  499.526   59.441  197.975   12.084  199.327   11.998 -1.351791 17.02883 
1 1 1    4    7   13 f  652.411   20.128  5355.85  327.921  5577.75  463.950  5134.33  463.551  663.397   28.006  636.077   29.184 27.32025 40.44746 
1 1 1    4    7   14 o  736.359   22.512  6825.22  413.957  6855.48  585.383  6794.94  585.465  735.011   31.893  731.704   32.042 3.307678 45.20876 
1 1 1    4    7   15 o  174.973   8.5721  382.667   37.455  402.370   52.741  362.618   53.201  178.944   11.870  169.757   12.641 9.186935 17.34019 
1 1 1    4    7   16 o  578.324   21.098  4200.70  304.695  4271.23  373.203  4059.70  527.662  582.339   25.664  563.728   37.701 18.61121 45.60650 
1 1 1    4    7   17 o  797.232   34.857  8059.21  693.950  7924.89  981.143  8193.66  981.645  782.557   50.476  796.235   49.617 -13.67816 70.77900 
1 1 1    4    7   18 o  807.768   28.346  8230.26  571.775  7939.05  699.943  8814.35  991.296  791.100   35.431  826.771   48.223 -35.67096 59.83994 
1 1 1    4    7   19 o  676.199   24.240  5753.03  409.318  5609.70  501.146  6040.26  709.425  666.342   30.117  686.638   41.570 -20.29626 51.33337 
1 1 1    4    7   20 o  544.336   19.579  3719.29  266.135  3418.02  325.634  4325.32  461.850  520.950   25.031  583.655   31.808 -62.70428 40.47609 
1 1 1    4    7   21 o  719.932   25.635  6536.36  460.872  6288.40  564.238  7033.41  798.855  704.167   32.088  738.781   43.493 -34.61426 54.04875 
1 1 1    4    7   22 o  267.590   20.907  906.230  138.595  906.230  138.595   0.0000   0.0000  267.590   20.907  ?   ?  0.000000 20.90692 
1 1 1    4    7   23 o  589.875   21.320  4385.13  314.056  4075.07  384.427  5007.29  544.561  567.008   27.150  624.517   35.060 -57.50824 44.34343 
1 1 1    4    7   24 o  337.817   13.956  1431.63  117.731  1280.94  144.281  1731.87  203.660  318.510   18.215  369.595   22.169 -51.08423 28.69239 
1 1 1    4    7   25 o  254.115   11.535  809.350   73.200  818.242   90.113  792.100  125.512  254.866   14.215  249.600   20.313 5.265610 24.79308 
1 1 1    4    7   26 o  250.891   12.069  789.833   75.616  660.524   92.914  1043.46  130.126  228.390   16.400  286.905   18.257 -58.51561 24.54195 
1 1 1    4    7   27 o  183.557   14.008  426.343   63.724  224.074   91.358  618.007   88.931  129.430   28.986  220.756   16.246 -91.32571 33.22873 
1 1 1    4    7   28 o  434.307   16.958  2385.03  183.920  2293.32  225.605  2566.74  317.578  423.806   21.386  444.527   28.763 -20.72104 35.84250 
1 1 1    4    7   29 o  580.857   21.514  4305.77  312.056  4348.74  382.685  4220.51  539.099  580.584   26.395  560.595   38.747 19.98969 46.88351 
1 1 1    4    7   30 o  333.622   13.688  1402.87  114.033  1434.73  140.484  1341.33  195.246  336.616   16.712  322.093   24.457 14.52383 29.62194 
1 1 1    4    7   31 o  197.547   11.211  492.034   55.075  451.254   68.729  565.210   92.066  188.481   14.719  210.327   17.693 -21.84590 23.01532 
1 1 1    4    7   32 o  336.758   25.254  1472.40  210.826  1472.40  210.826   0.0000   0.0000  336.758   25.254  ?   ?  0.000000 25.25390 
1 1 1    4    7   33 o  111.435   11.116  157.645   30.521  134.789   40.659  187.150   46.196  101.870   16.551  120.622   15.709 -18.75120 22.81943 
1 1 1    4    7   34 o  422.026   16.858  2261.14  177.661  2199.43  218.657  2381.03  304.766  413.731   21.235  425.517   28.852 -11.78598 35.82410 
1 1 1    4    7   35 o  152.948   12.288  296.689   46.536  189.449   59.802  461.310   74.094  120.004   20.704  190.121   15.748 -70.11781 26.01259 
1 1 1    4    7   36 o  133.284   11.799  225.614   38.864  186.525   52.375  273.509   57.974  119.644   18.095  145.859   16.190 -26.21478 24.28065 
1 1 1    4    7   37 o  200.110   15.098  511.534   74.890  372.843  112.866  620.625  100.100  165.849   28.266  219.363   18.445 -53.51463 33.75136 
1 1 1    4    7   38 o  178.628   11.580  404.922   51.375  400.414   67.622  411.076   79.011  176.512   15.498  177.987   18.025 -1.474976 23.77201 
1 1 1    4    7   39 o  179.776   11.469  410.978   51.218  432.278   68.185  383.397   77.589  183.226   15.035  171.171   18.443 12.05470 23.79454 
1 1 1    4    7   40 o  378.611   15.729  1848.80  148.714  1873.80  184.997  1803.14  250.022  377.323   19.702  360.938   27.957 16.38568 34.20209 
1 1 1    4    7   41 o  188.341   24.090  489.481  110.703  489.481  110.703   0.0000   0.0000  188.341   24.090  ?   ?  0.000000 24.08972 
1 1 1    4    7   42 o  197.082   12.985  502.254   63.549  437.038   83.516  591.946   97.942  180.414   18.814  210.157   18.864 -29.74316 26.64226 
1 1 1    4    7   43 o  179.405   12.141  416.145   54.070  457.747   74.890  370.845   78.148  185.703   16.315  165.071   19.324 20.63167 25.28992 
1 1 1    4    7   44 o   43.385   16.726   18.199   25.624   1.5077   52.509   23.416   29.356   50.543   22.056   47.319   17.985 3.224068 28.45919 
1 1 1    4    7   45 o  120.950   15.205  196.400   44.909  107.744   68.161  264.409   59.699   83.815   27.861  139.036   17.588 -55.22144 32.94825 
1 1 1    4    7   46 o   98.376   17.338  134.867   41.037   69.047   69.626  169.903   50.798   70.975   27.512  109.409   19.298 -38.43406 33.60589 
1 1 1    4    8    0 o  191.294   12.278  460.930   58.342  418.856   82.226  503.586   82.793  181.287   18.419  199.258   16.796 -17.97060 24.92686 
1 1 1    4    8    1 o  166.045   11.790  347.422   48.569  355.988   68.566  338.796   68.807  167.347   16.627  163.123   17.148 4.224030 23.88587 
1 1 1    4    8    2 f  480.615   22.285  2926.13  267.463  2927.76  378.138  2924.50  378.361  476.169   31.986  475.885   32.025 0.2834473 45.26286 
1 1 1    4    8    3 o  580.781   26.271  4294.93  381.008  4203.33  538.583  4386.70  539.072  567.313   38.240  580.144   37.409 -12.83130 53.49557 
1 1 1    4    8    4 o  375.890   26.341  1807.40  245.691  1807.40  245.691   0.0000   0.0000  375.890   26.341  ?   ?  0.000000 26.34088 
1 1 1    4    8    5 o  413.869   19.692  2162.75  203.523  2157.28  287.740  2168.23  287.912  410.029   28.275  411.095   28.217 -1.066132 39.94533 
1 1 1    4    8    6 f  358.114   17.417  1615.73  155.759  1773.44  220.579  1458.89  219.975  373.022   23.804  337.402   26.316 35.62000 35.48479 
1 1 1    4    8    7 o  158.738   9.3135  316.527   36.757  306.328   44.909  337.225   63.976  155.884   11.620  162.953   15.925 -7.068985 19.71410 
1 1 1    4    8    8 o  325.767   13.364  1332.41  108.713  1357.74  133.153  1281.77  188.276  328.417   16.236  316.724   23.983 11.69244 28.96143 
1 1 1    4    8    9 o  190.682   9.9575  456.596   47.250  475.223   57.880  419.386   81.807  194.298   11.988  181.450   18.304 12.84880 21.88056 
1 1 1    4    8   10 o  292.127   10.750  1069.09   78.420  1060.37  110.894  1077.82  110.911  290.030   15.366  292.435   15.241 -2.405426 21.64239 
1 1 1    4    8   11 o  591.378   21.483  4418.98  317.257  4400.20  549.428  4428.37  388.586  581.723   38.031  590.241   26.364 -8.518372 46.27555 
1 1 1    4    8   12 o  584.161   18.430  4292.79  268.843  4267.81  380.186  4317.79  380.216  580.238   26.239  583.676   26.086 -3.438477 36.99919 
1 1 1    4    8   13 o  327.832   11.460  1345.17   93.816  1385.32  132.713  1305.05  132.637  332.308   15.993  322.066   16.548 10.24216 23.01297 
1 1 1    4    8   14 o  626.172   19.321  4924.47  302.115  4821.09  427.090  5028.00  427.421  617.662   27.690  630.928   27.128 -13.26599 38.76429 
1 1 1    4    8   15 o  1242.15   36.996 19640.26  1147.57 18600.87  1621.63 20682.94  1624.19  1195.72   54.309  1263.45   51.479 -67.73157 74.83006 
1 1 1    4    8   16 o  638.220   23.028  5121.56  367.012  5069.47  449.398  5225.90  635.961  633.816   28.393  639.015   40.056 -5.198975 49.09874 
1 1 1    4    8   17 o  278.472   11.854  969.982   82.434  893.594  100.801  1124.22  143.235  266.698   15.198  298.738   19.303 -32.04059 24.56860 
1 1 1    4    8   18 o  644.148   28.562  5234.55  459.440  5269.57  649.743  5199.54  649.750  641.682   40.760  637.278   41.047 4.403931 57.84641 
1 1 1    4    8   19 o  294.149   12.503  1082.53   91.839  1062.58  112.450  1122.49  159.152  290.854   15.538  298.172   21.519 -7.318390 26.54264 
1 1 1    4    8   20 o  445.996   16.887  2493.37  188.072  2396.28  230.248  2688.02  326.013  436.745   21.111  460.565   28.486 -23.82001 35.45621 
1 1 1    4    8   21 o  839.910   29.815  8926.14  625.343  8810.70  765.811  9157.14  1083.34  831.554   36.879  838.054   52.023 -6.499268 63.76840 
1 1 1    4    8   22 o  615.351   22.359  4768.31  343.582  4712.39  420.824  4880.10  595.035  610.377   27.609  616.139   38.873 -5.762512 47.67968 
1 1 1    4    8   23 o  456.639   17.296  2619.16  197.229  2519.32  241.576  2818.74  341.551  447.099   21.637  470.265   29.229 -23.16632 36.36630 
1 1 1    4    8   24 o  655.803   42.739  5621.48  696.102  5621.48  696.102   0.0000   0.0000  655.803   42.739  ?   ?  0.000000 42.73945 
1 1 1    4    8   25 o  495.724   18.580  3097.73  230.003  2900.53  281.686  3492.21  398.402  478.300   23.584  521.225   30.745 -42.92490 38.74853 
1 1 1    4    8   26 o  383.546   15.251  1850.78  146.072  1795.41  179.163  1960.56  252.268  376.485   19.120  391.152   25.974 -14.66714 32.25243 
1 1 1    4    8   27 f  414.280   16.245  2164.45  168.063  2095.57  206.135  2301.01  290.246  406.499   20.307  422.352   27.672 -15.85327 34.32393 
1 1 1    4    8   28 o  468.437   17.962  2777.78  210.112  2696.66  257.651  2938.83  363.035  459.789   22.440  474.709   30.791 -14.92007 38.10021 
1 1 1    4    8   29 o  268.799   15.880  915.840  106.121  638.271  150.943  1187.13  149.227  220.513   28.046  304.993   19.699 -84.48022 34.27245 
1 1 1    4    8   30 o  129.883   10.585  213.182   34.034  170.818   43.111  283.258   55.446  115.317   15.352  149.042   15.106 -33.72554 21.53799 
1 1 1    4    8   31 o  302.110   22.824  1176.33  170.917   0.0000   0.0000  1176.33  170.917  ?   ?   302.110   22.824 0.000000 22.82361 
1 1 1    4    8   32 o  573.793   26.615  4266.69  381.354  4266.69  381.354   0.0000   0.0000  573.793   26.615  ?   ?  0.000000 26.61475 
1 1 1    4    8   33 o  454.413   17.890  2623.81  203.012  2483.55  249.339  2899.66  349.671  439.182   22.814  469.581   29.976 -30.39923 37.66969 
1 1 1    4    8   34 o   53.234   21.000   21.184   41.155   21.184   41.155   0.0000   0.0000   53.234   21.000  ?   ?  0.000000 20.99998 
1 1 1    4    8   35 o  156.852   11.867  311.540   46.138  233.604   59.299  431.094   73.445  134.302   18.146  183.678   16.177 -49.37593 24.31008 
1 1 1    4    8   36 o  161.479   10.549  329.318   42.302  368.255   56.100  277.996   64.406  170.252   13.301  146.648   17.963 23.60387 22.35127 
1 1 1    4    8   37 f  315.672   13.699  1261.36  107.988  1271.36  134.594  1243.29  180.917  315.269   17.161  308.480   23.666 6.789093 29.23300 
1 1 1    4    8   38 o  259.230   15.005  857.941   96.720  900.939  143.303  821.966  131.080  262.379   22.077  251.040   21.105 11.33875 30.54189 
1 1 1    4    8   39 o  111.468   12.139  159.262   33.243  165.824   48.998  153.667   45.249  112.082   18.125  108.045   17.359 4.037407 25.09659 
1 1 1    4    8   40 o  274.220   13.479  960.064   92.304  912.875  116.604  1039.26  151.061  264.748   17.740  279.676   21.802 -14.92834 28.10723 
1 1 1    4    8   41 o  289.652   13.646  1076.68   98.705  1068.99  124.649  1089.60  161.624  285.633   17.561  283.690   23.013 1.942963 28.94765 
1 1 1    4    8   42 o  133.491   12.929  230.986   42.558  193.856   60.505  267.345   59.873  118.584   21.211  141.770   17.269 -23.18607 27.35163 
1 1 1    4    8   43 o  120.613   30.049  221.629   90.173  221.629   90.173   0.0000   0.0000  120.613   30.049  ?   ?  0.000000 30.04922 
1 1 1    4    8   44 o  183.054   12.491  434.791   56.756  466.735   78.683  400.142   81.947  186.720   17.063  171.032   19.538 15.68788 25.93989 
1 1 1    4    8   45 o   99.595   15.061  133.317   36.288  173.063   60.891  111.426   45.189  109.104   23.070   88.212   20.845 20.89202 31.09253 
1 1 1    4    8   46 o  117.846   15.164  187.293   43.590  163.634   69.088  202.940   56.185  102.473   26.722  120.078   19.399 -17.60511 33.02082 
1 1 1    4    8   47 o   72.603   20.256   77.420   38.117 -10.4110   84.826   99.643   42.668   57.702   26.368   82.097   20.791 -24.39491 33.57827 
1 1 1    4    9    0 o   60.821   15.540   48.325   23.689   0.0000   0.0000   48.325   23.689  ?   ?    60.821   15.540 0.000000 15.53991 
1 1 1    4    9    1 o  304.875   15.891  1173.22  120.565  1179.49  170.353  1166.94  170.656  304.028   22.600  302.349   22.770 1.679230 32.08140 
1 1 1    4    9    2 o  235.147   13.660  696.869   79.866  731.841  112.851  661.777  113.044  239.981   18.986  227.892   20.069 12.08908 27.62673 
1 1 1    4    9    3 o  104.588   10.761  138.519   27.704  158.461   39.082  118.376   39.277  111.381   14.387   95.518   17.094 15.86340 22.34293 
1 1 1    4    9    4 o  124.328   10.992  195.238   33.776  219.696   47.642  170.524   47.891  131.382   14.778  115.098   17.189 16.28439 22.66826 
1 1 1    4    9    5 o  285.358   21.740  1037.64  153.749  1037.64  153.749   0.0000   0.0000  285.358   21.740  ?   ?  0.000000 21.73950 
1 1 1    4    9    6 o  307.215   15.924  1191.01  121.747  1178.19  172.023  1203.88  172.330  303.865   22.837  307.240   22.620 -3.374573 32.14360 
1 1 1    4    9    7 o  259.211   14.335  846.902   92.428  846.693  130.568  847.112  130.859  257.936   20.438  257.989   20.480 -0.5364990E-01 28.93383 
1 1 1    4    9    8 o  344.357   17.139  1494.07  147.382  1516.78  208.365  1471.33  208.493  344.569   24.373  339.212   24.785 5.356750 34.76111 
1 1 1    4    9    9 o  412.868   15.885  2144.23  163.772  2122.52  200.523  2187.72  283.820  409.984   19.586  413.071   27.675 -3.087646 33.90442 
1 1 1    4    9   10 o  345.998   13.442  1502.12  116.141  1629.78  142.366  1248.11  200.812  360.060   15.834  312.285   25.987 47.77490 30.43043 
1 1 1    4    9   11 f  650.293   28.986  5386.99  470.699  5608.97  665.979  5165.43  665.360  656.057   40.853  628.301   42.660 27.75549 59.06658 
1 1 1    4    9   14 o  401.636   18.328  2024.56  183.822  2411.19  260.378  1640.39  259.550  436.876   23.958  358.967   29.208 77.90897 37.77682 
1 1 1    4    9   15 o  457.300   16.829  2621.50  192.185  2566.60  235.295  2731.53  333.107  452.008   20.846  464.148   28.883 -12.13983 35.61940 
1 1 1    4    9   16 o  378.867   14.800  1797.41  140.022  1711.03  171.359  1970.98  242.902  368.872   18.664  394.961   24.753 -26.08890 31.00058 
1 1 1    4    9   17 o  940.898   33.199 11209.79  780.048 11230.11  955.359 11169.17  1351.08  938.436   40.767  923.880   58.869 14.55670 71.60650 
1 1 1    4    9   18 o  249.670   11.379  779.598   70.946  810.074   86.839  718.428  123.029  254.038   13.740  238.312   20.884 15.72656 24.99849 
1 1 1    4    9   19 o  512.629   18.816  3296.37  240.875  3161.42  294.854  3567.14  417.652  501.371   23.550  530.115   31.695 -28.74426 39.48649 
1 1 1    4    9   20 o  467.785   21.557  2749.74  251.816  2870.04  356.293  2629.67  355.950  475.541   30.159  454.763   31.539 20.77835 43.63807 
1 1 1    4    9   21 o  335.323   12.849  1407.42  107.592  1178.78  131.533  1869.75  187.040  306.093   17.279  385.388   19.498 -79.29565 26.05263 
1 1 1    4    9   22 o  207.709   10.490  541.059   54.235  475.938   66.459  670.896   93.840  194.442   13.776  230.702   16.395 -36.26042 21.41492 
1 1 1    4    9   23 o  333.675   13.701  1395.33  114.166  1327.27  139.882  1531.12  197.577  324.623   17.318  347.656   22.886 -23.03287 28.70008 
1 1 1    4    9   24 o  201.664   10.307  510.352   51.731  522.050   63.662  487.614   88.757  203.721   12.575  196.018   18.346 7.702484 22.24210 
1 1 1    4    9   25 o  256.571   20.618  836.596  130.987  836.596  130.987   0.0000   0.0000  256.571   20.618  ?   ?  0.000000 20.61840 
1 1 1    4    9   26 f  160.795   10.329  325.251   41.257  250.605   50.924  467.816   70.377  140.429   14.742  192.341   14.765 -51.91148 20.86446 
1 1 1    4    9   27 o  223.833   11.292  630.103   62.912  578.028   77.469  730.960  107.812  213.831   14.595  239.836   18.135 -26.00520 23.27895 
1 1 1    4    9   28 o  250.200   12.025  786.369   75.130  694.774   92.423  964.797  128.995  234.127   15.902  275.304   18.877 -41.17712 24.68282 
1 1 1    4    9   29 o  454.718   17.574  2618.31  199.555  2521.79  244.746  2809.74  344.679  444.477   22.050  464.100   29.900 -19.62271 37.15138 
1 1 1    4    9   30 o  172.281   13.388  376.013   57.146  271.097   82.841  471.267   78.934  143.594   23.946  192.307   16.599 -48.71281 29.13652 
1 1 1    4    9   31 o  448.365   17.549  2549.42  196.491  2471.68  241.331  2702.29  338.437  438.993   22.085  454.062   30.017 -15.06906 37.26616 
1 1 1    4    9   32 o  296.284   12.434  1105.01   91.999  1163.63  113.876  994.843  156.107  303.476   15.026  277.667   22.713 25.80933 27.23333 
1 1 1    4    9   33 o  437.772   17.218  2431.38  188.224  2339.84  231.285  2610.89  323.898  426.926   21.767  446.226   29.229 -19.30017 36.44303 
1 1 1    4    9   34 o  168.564   10.130  358.093   42.441  393.251   54.791  305.354   67.106  176.257   12.530  154.051   17.770 22.20578 21.74320 
1 1 1    4    9   35 o  223.587   21.070  645.834  116.255  645.834  116.255   0.0000   0.0000  223.587   21.070  ?   ?  0.000000 21.07011 
1 1 1    4    9   36 o  573.341   21.151  4220.95  302.832  4364.38  372.305  3940.53  520.593  579.164   25.742  535.223   39.224 43.94098 46.91652 
1 1 1    4    9   37 o  148.303   10.607  278.166   39.023  327.019   53.385  222.109   57.185  160.274   13.463  130.758   17.989 29.51634 22.46938 
1 1 1    4    9   38 o  328.815   14.953  1374.45  122.778  1259.37  152.396  1587.30  207.257  312.179   19.649  347.797   24.010 -35.61786 31.02554 
1 1 1    4    9   39 o  246.443   13.409  773.693   82.208  673.255  103.735  943.267  134.790  227.836   18.389  268.908   20.221 -41.07205 27.33215 
1 1 1    4    9   40 o  133.711   13.913  230.541   45.774  207.498   77.224  243.022   56.834  122.189   26.102  136.266   17.077 -14.07700 31.19178 
1 1 1    4    9   41 o  341.003   14.503  1494.66  123.496  1543.84  154.628  1408.03  205.221  343.438   18.094  320.378   25.872 23.05951 31.57111 
1 1 1    4    9   42 o  106.066   13.322  146.653   34.506  146.367   53.497  146.857   45.154  102.758   21.537  104.434   17.962 -1.676445 28.04403 
1 1 1    4    9   43 o  148.228   12.332  284.089   45.234  303.761   65.047  265.669   62.944  150.722   17.615  140.433   18.391 10.28865 25.46555 
1 1 1    4    9   44 o  115.345   32.294  210.694   96.708  210.694   96.708   0.0000   0.0000  115.345   32.294  ?   ?  0.000000 32.29446 
1 1 1    4    9   45 o  107.273   14.322  152.943   37.406  218.728   62.385  116.016   46.741  124.924   20.724   90.135   21.133 34.78925 29.59885 
1 1 1    4    9   46 o   97.790   15.910  130.187   37.517  171.270   64.901  109.570   45.977  106.830   24.804   86.882   21.345 19.94821 32.72392 
1 1 1    4    9   47 o  131.570   14.641  232.906   47.289  272.423   75.961  207.900   60.426  135.592   23.272  119.949   20.935 15.64372 31.30258 
1 1 1    4   10    0 o   37.040   11.157   17.314   11.170   3.2773   15.205   33.770   16.463   30.228   12.460   50.907   12.927 -20.67882 17.95436 
1 1 1    4   10    1 o  275.376   21.359  965.656  145.727   0.0000   0.0000  965.656  145.727  ?   ?   275.376   21.359 0.000000 21.35871 
1 1 1    4   10    2 o  296.908   15.637  1112.18  115.530  1183.99  163.322  1040.26  163.447  304.976   21.584  285.354   23.136 19.62216 31.64153 
1 1 1    4   10    3 o  184.329   12.242  428.113   56.028  443.281   79.088  412.831   79.384  186.783   17.148  180.057   17.892 6.726044 24.78235 
1 1 1    4   10    4 o  669.431   30.102  5757.46  503.211  5833.32  711.628  5681.60  711.668  662.846   43.229  653.571   43.859 9.274536 61.58203 
1 1 1    4   10    5 o  308.316   22.919  1212.96  175.194   0.0000   0.0000  1212.96  175.194  ?   ?   308.316   22.919 0.000000 22.91859 
1 1 1    4   10    6 o  469.025   31.619  2843.91  368.172  2843.91  368.172   0.0000   0.0000  469.025   31.619  ?   ?  0.000000 31.61883 
1 1 1    4   10    7 o  203.165   12.704  519.891   64.128  539.626   90.538  500.024   90.843  206.164   17.759  198.241   18.567 7.923584 25.69272 
1 1 1    4   10    8 o  406.512   19.423  2086.05  197.171  2132.21  278.755  2039.82  278.929  407.888   27.528  398.661   28.200 9.226959 39.40878 
1 1 1    4   10    9 o  249.906   14.066  786.412   87.424  827.276  123.533  745.411  123.739  255.364   19.520  242.086   20.667 13.27812 28.42758 
1 1 1    4   10   10 o  214.409   9.9663  575.399   53.362  505.655   65.197  716.929   92.875  200.395   13.101  238.394   15.689 -37.99879 20.43908 
1 1 1    4   10   11 o  428.786   16.223  2308.71  173.706  2252.93  212.649  2420.58  301.141  422.928   20.135  435.824   27.815 -12.89609 34.33786 
1 1 1    4   10   15 o  262.670   20.459  871.609  133.137   0.0000   0.0000  871.609  133.137  ?   ?   262.670   20.459 0.000000 20.45869 
1 1 1    4   10   16 o  435.376   29.209  2403.68  315.728  2403.68  315.728   0.0000   0.0000  435.376   29.209  ?   ?  0.000000 29.20941 
1 1 1    4   10   17 o  765.346   26.835  7381.33  512.872  7383.15  628.159  7377.69  888.258  763.669   32.939  756.566   47.252 7.102966 57.59995 
1 1 1    4   10   18 f  614.139   22.255  4739.31  341.310  4757.46  418.033  4703.01  591.119  614.344   27.249  606.558   39.236 7.786133 47.76994 
1 1 1    4   10   19 o  494.045   18.421  3061.24  227.266  3067.06  278.353  3049.61  393.609  493.963   22.566  489.806   32.363 4.156494 39.45329 
1 1 1    4   10   20 o  220.763   9.8468  609.339   54.284  521.131   66.386  787.320   94.300  203.633   13.125  250.255   15.161 -46.62192 20.05307 
1 1 1    4   10   21 o  313.460   13.018  1229.98  101.900  1229.69  124.834  1230.56  176.406  312.810   16.035  311.896   22.807 0.9142761 27.87991 
1 1 1    4   10   22 o  158.333   11.532  315.378   45.282  231.775   63.963  399.378   64.114  134.419   19.634  177.938   14.556 -43.51868 24.44173 
1 1 1    4   10   23 o  398.349   15.510  1990.72  154.290  1856.01  188.928  2260.47  267.344  383.567   19.792  422.047   25.486 -38.48041 32.26847 
1 1 1    4   10   24 o  248.737   11.497  774.861   71.414  698.106   87.589  927.069  123.343  235.379   14.979  270.831   18.346 -35.45213 23.68435 
1 1 1    4   10   25 o  270.035   12.154  914.082   81.956  840.870  100.539  1059.08  141.488  258.192   15.668  289.080   19.717 -30.88849 25.18438 
1 1 1    4   10   26 o  358.773   14.444  1617.76  129.407  1615.07  158.779  1623.10  223.332  357.873   17.767  356.126   25.277 1.746582 30.89655 
1 1 1    4   10   27 o  407.571   28.411  2144.75  287.356  2144.75  287.356   0.0000   0.0000  407.571   28.411  ?   ?  0.000000 28.41133 
1 1 1    4   10   28 o  247.634   11.892  770.155   73.536  689.992   90.442  926.524  126.316  233.397   15.608  269.795   18.868 -36.39795 24.48645 
1 1 1    4   10   29 o  390.043   15.696  1920.74  152.881  1707.56  187.426  2344.60  264.273  365.758   20.604  426.708   24.909 -60.95007 32.32668 
1 1 1    4   10   30 o  335.469   24.482  1452.59  203.676   0.0000   0.0000  1452.59  203.676  ?   ?   335.469   24.482 0.000000 24.48190 
1 1 1    4   10   31 o  437.233   21.001  2439.95  229.298  2439.95  229.298   0.0000   0.0000  437.233   21.001  ?   ?  0.000000 21.00086 
1 1 1    4   10   32 o  188.858   13.290  451.597   62.279  392.065   90.284  505.640   86.022  173.977   21.221  198.927   17.495 -24.94943 27.50251 
1 1 1    4   10   33 o  224.667   11.700  636.536   65.412  598.147   81.494  706.061  109.671  217.037   15.131  234.857   18.859 -17.82001 24.17855 
1 1 1    4   10   34 o  342.266   13.588  1477.69  116.138  1568.29  143.736  1307.31  197.114  351.798   16.361  317.188   25.091 34.61066 29.95384 
1 1 1    4   10   35 o  146.388   11.035  270.963   40.041  243.820   52.174  309.861   62.457  137.969   15.406  155.516   16.326 -17.54700 22.44782 
1 1 1    4   10   36 o  368.038   15.915  1717.77  146.265  1528.72  180.362  2080.93  249.976  344.616   21.060  399.777   25.168 -55.16107 32.81684 
1 1 1    4   10   37 o  278.479   23.596  1011.19  162.548  1011.19  162.548   0.0000   0.0000  278.479   23.596  ?   ?  0.000000 23.59619 
1 1 1    4   10   38 o  376.233   15.759  1801.43  148.061  1749.44  183.312  1898.99  251.122  368.148   20.015  378.860   26.714 -10.71198 33.38049 
1 1 1    4   10   39 o  143.936   13.571  265.262   48.202  121.705   63.579  459.318   73.920   94.278   26.110  189.024   15.805 -94.74593 30.52152 
1 1 1    4   10   40 o  231.228   12.211  680.340   70.260  686.910   90.197  670.202  112.043  230.930   15.735  225.951   20.066 4.979019 25.49962 
1 1 1    4   10   41 o  252.697   16.450  828.926  103.240  655.056  151.380  980.113  141.160  216.276   28.741  271.714   20.966 -55.43806 35.57563 
1 1 1    4   10   42 o   96.791   13.869  122.718   32.565  108.790   51.377  132.072   42.102   88.097   23.078   99.157   17.650 -11.06017 29.05370 
1 1 1    4   10   43 o  142.654   12.588  263.291   44.384  256.231   63.597  269.995   61.973  137.752   18.993  142.048   17.866 -4.296371 26.07552 
1 1 1    4   10   44 o   99.448   14.938  131.550   35.951   93.264   56.924  156.954   46.369   80.611   25.356  107.478   17.907 -26.86703 31.04179 
1 1 1    4   10   45 o   97.241   16.113  127.736   37.756   50.782   60.697  176.308   48.221   66.252   25.686  113.869   17.520 -47.61731 31.09211 
1 1 1    4   10   46 o   92.066   34.610  137.333  108.001  137.333  108.001   0.0000   0.0000   92.066   34.610  ?   ?  0.000000 34.61010 
1 1 1    4   10   47 o  241.523   13.765  771.389   82.676  826.242  111.789  705.163  122.834  244.700   18.430  220.851   22.590 23.84888 29.15440 
1 1 1    4   11    0 o  328.530   16.726  1359.98  136.767  1440.69  193.313  1279.10  193.522  336.799   23.125  316.885   24.650 19.91391 33.79887 
1 1 1    4   11    1 o  428.301   20.253  2314.45  216.620  2362.69  306.238  2266.14  306.455  429.603   28.711  420.455   29.372 9.148010 41.07357 
1 1 1    4   11    2 o  184.747   17.567  433.515   80.069   0.0000   0.0000  433.515   80.069  ?   ?   184.747   17.567 0.000000 17.56679 
1 1 1    4   11    3 o  488.917   22.600  3027.53  275.923  3118.29  390.205  2936.76  390.223  491.784   31.947  476.704   32.983 15.08035 45.91822 
1 1 1    4   11    4 o  363.669   17.486  1665.74  158.800  1918.89  224.930  1414.16  224.226  388.364   23.301  331.985   27.288 56.37881 35.88280 
1 1 1    4   11    5 o  183.635   12.229  424.695   55.760  435.556   78.551  413.663   79.166  185.220   17.178  180.349   17.811 4.870850 24.74511 
1 1 1    4   11    6 o  198.319   12.640  495.247   62.272  545.173   87.927  445.003   88.207  207.417   17.129  186.878   19.173 20.53923 25.70996 
1 1 1    4   11    7 o  288.940   21.848  1061.68  156.475  1061.68  156.475   0.0000   0.0000  288.940   21.848  ?   ?  0.000000 21.84777 
1 1 1    4   11    8 o  548.950   24.953  3822.57  342.066  3846.33  483.588  3798.77  483.920  545.138   35.721  541.603   35.985 3.534546 50.70425 
1 1 1    4   11    9 o  766.118   33.954  7528.03  649.582  7776.16  918.849  7280.12  918.447  767.126   48.210  740.684   49.948 26.44116 69.41905 
1 1 1    4   11   10 o  402.212   19.075  2035.67  191.590  1953.82  270.622  2117.92  271.279  391.390   27.871  407.892   26.782 -16.50128 38.65288 
1 1 1    4   11   11 o  222.507   12.988  622.263   71.852  590.904  101.317  653.992  101.914  215.986   18.977  227.445   18.093 -11.45886 26.22015 
1 1 1    4   11   12 o  512.023   23.248  3303.63  297.247  3153.03  420.079  3454.65  420.663  496.514   34.087  520.359   32.536 -23.84497 47.12234 
1 1 1    4   11   13 o  206.885   18.039  541.135   92.260  541.135   92.260   0.0000   0.0000  206.885   18.039  ?   ?  0.000000 18.03856 
1 1 1    4   11   18 o  511.891   23.196  3294.66  296.509  3294.66  296.509   0.0000   0.0000  511.891   23.196  ?   ?  0.000000 23.19578 
1 1 1    4   11   19 o  398.865   15.097  1992.51  150.373  1991.40  184.202  1994.72  260.359  398.449   18.513  396.988   26.414 1.460205 32.25538 
1 1 1    4   11   20 o  879.818   31.116  9797.74  683.642  9910.44  837.430  9572.56  1183.70  881.924   38.025  855.401   55.718 26.52313 67.45676 
1 1 1    4   11   21 o  342.525   13.900  1469.26  118.895  1422.53  145.615  1562.71  205.934  336.308   17.398  351.499   23.598 -15.19034 29.31858 
1 1 1    4   11   22 o  356.345   14.280  1591.09  127.075  1559.73  155.669  1653.74  220.005  352.035   17.765  361.246   24.534 -9.210632 30.29018 
1 1 1    4   11   23 o  555.014   25.022  3894.41  346.797  3714.02  490.184  4075.19  490.706  537.013   36.775  563.399   35.052 -26.38666 50.80360 
1 1 1    4   11   24 o  536.901   19.910  3632.38  266.935  3586.28  327.005  3724.43  462.124  532.204   24.605  537.710   34.600 -5.505981 42.45646 
1 1 1    4   11   25 o  513.690   19.080  3327.17  244.749  3083.08  299.648  3816.39  424.219  492.984   24.340  544.860   31.310 -51.87628 39.65823 
1 1 1    4   11   26 o  420.665   16.319  2228.07  171.425  2233.92  210.212  2216.48  296.183  420.331   20.027  415.031   28.755 5.299805 35.04186 
1 1 1    4   11   27 o  577.308   21.318  4230.30  307.335  3977.95  376.376  4735.24  532.408  557.059   27.056  601.171   35.623 -44.11255 44.73340 
1 1 1    4   11   28 o  280.177   21.965  1005.31  152.450  1005.31  152.450   0.0000   0.0000  280.177   21.965  ?   ?  0.000000 21.96529 
1 1 1    4   11   29 o  347.874   14.445  1525.19  125.484  1409.65  154.003  1753.44  216.455  332.928   18.598  369.453   23.585 -36.52499 30.03538 
1 1 1    4   11   30 o  163.195   10.357  335.560   41.988  306.905   52.466  386.602   70.023  155.509   13.649  174.131   16.293 -18.62172 21.25401 
1 1 1    4   11   31 o  264.777   11.829  881.465   78.214  901.552   96.646  843.339  133.148  266.918   14.555  256.287   20.989 10.63095 25.54133 
1 1 1    4   11   32 o  332.157   13.966  1391.45  115.839  1375.07  142.657  1423.17  198.476  328.841   17.435  331.859   24.115 -3.018646 29.75700 
1 1 1    4   11   33 o  335.270   17.582  1430.23  146.686  1300.61  208.588  1557.06  206.322  315.826   26.698  347.139   23.947 -31.31281 35.86445 
1 1 1    4   11   34 o  172.879   10.383  376.707   44.618  386.960   56.987  360.465   71.725  174.735   13.157  167.671   17.383 7.063782 21.80029 
1 1 1    4   11   35 o  215.021   11.056  582.833   59.162  601.831   74.640  550.724   97.036  217.938   13.786  207.072   18.977 10.86591 23.45545 
1 1 1    4   11   36 o  107.854   11.614  148.084   30.787  123.767   42.251  175.611   44.953   97.121   18.087  116.693   15.835 -19.57204 24.03921 
1 1 1    4   11   37 o  281.065   12.704  996.887   89.169  1007.66  111.615  977.884  148.254  281.295   15.955  274.796   21.783 6.499237 27.00116 
1 1 1    4   11   38 f  209.991   22.336  576.752  115.329  576.752  115.329   0.0000   0.0000  209.991   22.336  ?   ?  0.000000 22.33602 
1 1 1    4   11   39 o  128.219   12.645  210.086   39.959  141.909   54.663  288.329   58.559  102.650   21.987  149.511   15.930 -46.86098 27.15146 
1 1 1    4   11   40 o  236.881   12.780  714.615   75.318  668.096   95.847  789.714  121.782  227.305   17.009  245.649   20.027 -18.34378 26.27516 
1 1 1    4   11   41 o  243.100   11.488  750.164   69.743  860.825   90.504  588.379  109.431  259.018   14.045  210.374   21.115 48.64401 25.35968 
1 1 1    4   11   42 o  182.522   11.332  425.531   51.397  500.662   70.466  340.122   75.131  196.698   14.447  159.713   19.224 36.98541 24.04718 
1 1 1    4   11   43 o  159.526   14.093  331.077   55.563  309.072   88.996  345.133   71.130  148.057   24.958  160.917   18.010 -12.85986 30.77786 
1 1 1    4   11   44 o  123.273   13.638  198.815   41.279  154.124   61.023  236.517   56.049  103.583   24.053  132.844   17.307 -29.26099 29.63210 
1 1 1    4   11   45 o   93.798   14.940  117.609   33.820  163.092   57.577   93.649   41.790  107.088   22.257   81.414   20.552 25.67424 30.29498 
1 1 1    4   11   46 o  106.100   14.859  150.562   38.290  176.245   63.515  135.899   47.990  109.753   23.855   98.049   20.270 11.70406 31.30413 
1 1 1    4   11   47 o  102.655   37.662  194.497  126.451  194.497  126.451   0.0000   0.0000  102.655   37.662  ?   ?  0.000000 37.66168 
1 1 1    4   12    0 f  368.607   18.038  1706.94  166.037  1796.02  234.691  1617.68  234.934  376.213   25.126  356.617   26.572 19.59598 36.56985 
1 1 1    4   12    1 o  393.515   18.937  1947.50  186.091  2005.64  263.014  1889.21  263.332  397.087   26.679  385.098   27.565 11.98962 38.36172 
1 1 1    4   12    2 o  475.061   22.018  2847.39  261.205  2892.16  369.215  2802.52  369.584  475.320   31.281  467.659   31.837 7.660675 44.63228 
1 1 1    4   12    3 o  536.212   24.337  3638.05  325.877  3859.47  461.057  3417.02  460.664  547.952   33.861  514.466   36.086 33.48590 49.48443 
1 1 1    4   12    4 o  370.989   26.043  1753.68  239.742   0.0000   0.0000  1753.68  239.742  ?   ?   370.989   26.043 0.000000 26.04316 
1 1 1    4   12    5 f  147.952   11.284  275.712   41.377  264.554   58.052  287.234   58.989  144.193   16.415  150.396   15.950 -6.202652 22.88783 
1 1 1    4   12    6 o   64.626   10.963   53.737   17.061   56.552   23.509   50.605   24.797   65.852   14.672   62.296   15.890 3.555756 21.62737 
1 1 1    4   12    7 f  492.060   22.467  3057.46  276.072  2910.33  389.852  3205.46  391.000  475.936   33.006  500.219   31.462 -24.28238 45.59871 
1 1 1    4   12    8 o  428.001   20.136  2307.09  215.215  2276.60  304.012  2337.73  304.709  422.275   29.006  428.037   28.673 -5.762634 40.78576 
1 1 1    4   12    9 o  494.351   22.661  3082.78  279.744  3031.62  395.217  3134.14  396.020  486.526   32.720  494.903   32.220 -8.376709 45.92048 
1 1 1    4   12   10 o  176.556   11.491  391.798   50.386  348.167   70.761  436.672   71.762  165.636   17.366  185.949   15.599 -20.31331 23.34278 
1 1 1    4   12   11 o  573.926   25.514  4158.23  365.669  3890.02  516.468  4427.81  517.802  550.323   37.811  588.274   35.413 -37.95087 51.80491 
1 1 1    4   12   12 f  308.601   16.007  1197.07  122.930  1291.13  173.715  1102.73  173.982  319.627   21.896  294.927   23.827 24.69965 32.35986 
1 1 1    4   12   13 o  337.201   16.477  1425.41  138.742  1280.09  195.902  1571.64  196.520  317.793   24.884  352.779   22.424 -34.98621 33.49732 
1 1 1    4   12   20 o  563.174   25.139  3996.53  353.548  3996.53  353.548   0.0000   0.0000  563.174   25.139  ?   ?  0.000000 25.13943 
1 1 1    4   12   21 f  363.992   14.291  1659.62  129.896  1617.76  159.104  1743.32  224.947  359.057   17.745  371.130   24.408 -12.07297 30.17659 
1 1 1    4   12   22 o  501.076   18.682  3154.51  233.766  3098.32  286.308  3266.89  404.884  495.774   23.126  505.866   32.219 -10.09216 39.65937 
1 1 1    4   12   23 o  358.639   14.387  1612.80  128.846  1586.65  157.863  1664.98  222.997  354.871   17.871  362.066   24.813 -7.194672 30.57922 
1 1 1    4   12   24 o  259.374   11.601  842.669   75.140  861.212   92.221  806.045  129.603  261.630   14.168  251.962   20.784 9.668671 25.15359 
1 1 1    4   12   25 o  507.307   23.300  3261.27  295.178  3211.95  417.425  3310.60  417.465  498.433   33.735  506.333   33.200 -7.900482 47.33236 
1 1 1    4   12   26 o  608.227   22.335  4692.51  339.240  4665.31  415.636  4746.80  587.147  603.997   27.557  600.829   39.351 3.168274 48.03999 
1 1 1    4   12   27 o  261.778   11.527  859.797   75.351  899.442   92.743  782.800  129.249  267.088   13.954  247.520   21.112 19.56812 25.30689 
1 1 1    4   12   28 o   84.550   9.9405   90.841   20.587   75.379   26.469  114.519   32.755   76.140   14.450   94.324   14.359 -18.18353 20.37118 
1 1 1    4   12   29 o  328.586   24.069  1389.95  196.125   0.0000   0.0000  1389.95  196.125  ?   ?   328.586   24.069 0.000000 24.06942 
1 1 1    4   12   30 o   51.367   19.229   25.377   33.268   25.377   33.268   0.0000   0.0000   51.367   19.229  ?   ?  0.000000 19.22873 
1 1 1    4   12   31 o  301.271   12.487  1142.06   93.945  1201.43  115.876  1028.20  160.479  308.466   15.043  282.429   22.953 26.03687 27.44286 
1 1 1    4   12   32 o  370.657   15.327  1736.16  141.864  1610.82  174.263  1982.45  244.275  355.122   19.728  391.424   25.124 -36.30215 31.94371 
1 1 1    4   12   33 o  318.558   13.692  1279.62  108.923  1251.95  134.305  1332.79  186.184  313.758   17.207  321.340   23.362 -7.582214 29.01490 
1 1 1    4   12   34 o  301.925   13.016  1148.71   98.133  1164.36  121.405  1119.23  166.677  302.828   16.112  294.427   22.849 8.401123 27.95828 
1 1 1    4   12   35 o  215.125   12.870  585.299   68.821  664.702  100.531  515.267   94.413  228.031   17.795  200.222   19.115 27.80878 26.11632 
1 1 1    4   12   36 o   97.449   11.948  121.328   28.466   94.201   39.746  149.895   40.788   84.300   19.297  107.715   15.619 -23.41441 24.82628 
1 1 1    4   12   37 o  227.382   12.454  653.935   70.447  584.233   88.571  773.956  116.225  213.765   16.726  245.389   19.118 -31.62431 25.40141 
1 1 1    4   12   38 o  233.322   11.842  688.369   68.772  695.652   87.341  676.487  111.565  233.661   15.049  228.775   19.721 4.886154 24.80689 
1 1 1    4   12   39 f  282.011   13.379  1008.14   94.218  966.145  117.935  1082.22  156.646  274.191   17.313  287.824   21.960 -13.63290 27.96391 
1 1 1    4   12   40 o  142.733   25.906  278.365   88.935  278.365   88.935   0.0000   0.0000  142.733   25.906  ?   ?  0.000000 25.90572 
1 1 1    4   12   41 o  434.698   17.221  2444.07  186.932  2498.31  231.578  2342.64  316.693  435.521   21.293  408.866   31.254 26.65479 37.81833 
1 1 1    4   12   42 o  206.354   12.134  544.732   62.254  547.051   81.976  541.572   95.686  204.927   16.150  202.200   19.180 2.726913 25.07362 
1 1 1    4   12   43 o  122.526   13.143  194.910   39.587  168.578   58.289  217.454   53.933  110.219   21.949  127.776   17.351 -17.55731 27.97917 
1 1 1    4   12   44 o   73.166   16.634   72.907   29.703   53.332   53.024   81.859   35.857   66.111   24.368   76.965   18.814 -10.85414 30.78582 
1 1 1    4   12   45 o   74.786   16.578   76.452   30.147   87.298   53.960   71.531   36.349   78.161   24.700   71.583   19.710 6.577827 31.60007 
1 1 1    4   12   46 o  155.085   12.843  313.924   49.291  362.404   73.123  273.552   66.729  163.263   18.248  140.831   19.497 22.43147 26.70450 
1 1 1    4   12   47 o   85.012   17.099  100.144   35.042  166.524   63.980   71.699   41.882  105.409   24.732   70.631   21.674 34.77752 32.88514 
1 1 1    4   13    0 o  187.671   17.562  445.832   81.345  445.832   81.345   0.0000   0.0000  187.671   17.562  ?   ?  0.000000 17.56157 
1 1 1    4   13    1 o  642.061   28.579  5219.81  458.224  5154.35  647.629  5285.42  648.424  632.057   41.258  640.317   40.764 -8.260620 57.99953 
1 1 1    4   13    2 o  344.487   17.145  1489.52  147.487  1502.87  208.264  1476.09  208.894  344.273   24.382  341.113   24.690 3.160461 34.70029 
1 1 1    4   13    3 o  370.533   25.969  1743.61  238.766   0.0000   0.0000  1743.61  238.766  ?   ?   370.533   25.969 0.000000 25.96865 
1 1 1    4   13    4 o  591.710   38.422  4510.27  564.658  4510.27  564.658   0.0000   0.0000  591.710   38.422  ?   ?  0.000000 38.42225 
1 1 1    4   13    5 o  229.584   19.255  667.318  109.369   0.0000   0.0000  667.318  109.369  ?   ?   229.584   19.255 0.000000 19.25452 
1 1 1    4   13    6 o  474.047   21.813  2831.16  258.218  2733.35  364.730  2929.45  365.621  462.447   31.776  479.177   30.717 -16.73026 44.19571 
1 1 1    4   13    7 o  354.033   17.399  1573.80  153.822  1551.52  217.224  1596.22  217.851  349.604   25.048  354.696   24.750 -5.092072 35.21328 
1 1 1    4   13    8 o  482.989   22.229  2938.63  268.102  2914.33  378.867  2963.00  379.442  477.743   31.941  481.808   31.714 -4.065216 45.01155 
1 1 1    4   13    9 o  500.545   22.802  3156.30  285.015  3054.94  402.535  3258.21  403.611  488.972   33.162  505.388   32.148 -16.41644 46.18674 
1 1 1    4   13   10 o  182.514   17.176  421.590   77.362  421.590   77.362   0.0000   0.0000  182.514   17.176  ?   ?  0.000000 17.17589 
1 1 1    4   13   11 o  533.586   23.663  3586.16  315.298  3255.40  445.087  3919.34  446.715  504.452   35.560  554.820   32.383 -50.36786 48.09561 
1 1 1    4   13   12 o  389.435   13.889  1899.06  135.072  2156.10  233.823  1770.32  165.474  413.347   22.740  375.673   17.639 37.67374 28.77929 
1 1 1    4   13   13 o  523.116   19.292  3434.94  252.020  3754.77  436.700  3275.24  308.594  543.418   32.327  510.032   24.229 33.38623 40.39897 
1 1 1    4   13   14 o  914.993   38.677 10668.66  883.742  9316.94  1247.62 12029.86  1251.99  841.578   59.754  962.353   52.294 -120.7747 79.40539 
1 1 1    4   13   22 o  380.658   26.408  1841.24  249.478  1841.24  249.478   0.0000   0.0000  380.658   26.408  ?   ?  0.000000 26.40834 
1 1 1    4   13   23 o  197.005   8.7213  485.376   42.905  452.901   60.839  517.507   60.516  189.681   12.921  202.923   11.996 -13.24146 17.63099 
1 1 1    4   13   24 o  133.298   9.0518  223.321   29.952  204.683   36.921  259.201   51.226  127.284   11.748  142.983   14.550 -15.69890 18.70078 
1 1 1    4   13   25 o  519.994   19.284  3411.51  250.403  3395.39  306.783  3443.69  433.420  517.381   23.745  515.916   33.829 1.464417 41.33067 
1 1 1    4   13   26 o  322.667   13.002  1307.11  104.761  1341.37  128.577  1239.45  180.691  326.447   15.772  311.472   23.402 14.97464 28.22092 
1 1 1    4   13   27 o  416.710   19.863  2199.95  206.693  2191.08  292.393  2208.81  292.223  411.786   28.612  413.522   28.472 -1.735870 40.36479 
1 1 1    4   13   28 f  212.479   10.444  566.260   55.417  575.781   68.409  548.084   94.519  213.626   12.884  207.267   18.455 6.359070 22.50710 
1 1 1    4   13   29 o  186.682   9.1902  436.798   42.843  494.388   53.477  333.595   71.588  198.169   10.848  161.305   18.083 36.86337 21.08743 
1 1 1    4   13   30 o  182.554   10.203  419.456   46.326  434.969   57.624  391.107   77.897  185.543   12.510  174.730   18.116 10.81264 22.01537 
1 1 1    4   13   31 o  314.202   16.590  1252.86  129.709  1252.86  129.709   0.0000   0.0000  314.202   16.590  ?   ?  0.000000 16.59022 
1 1 1    4   13   32 o  501.002   34.647  3340.25  430.809  3340.25  430.809   0.0000   0.0000  501.002   34.647  ?   ?  0.000000 34.64730 
1 1 1    4   13   33 o  272.732   12.188  936.013   83.005  957.791  102.881  895.403  140.491  274.934   15.042  263.781   21.516 11.15274 26.25234 
1 1 1    4   13   34 o  575.556   21.487  4239.85  308.829  4285.81  379.073  4149.13  532.567  575.099   26.396  553.265   38.792 21.83398 46.92086 
1 1 1    4   13   35 o  211.330   11.251  563.170   59.160  553.809   74.431  579.229   97.490  208.916   14.354  212.566   18.552 -3.649658 23.45665 
1 1 1    4   13   36 o  170.592   11.659  367.961   49.368  305.920   62.961  466.990   79.546  154.427   16.587  191.086   16.842 -36.65898 23.63847 
1 1 1    4   13   37 o  135.917   12.755  235.039   42.785  214.366   65.736  250.231   56.354  127.595   21.388  139.436   16.505 -11.84038 27.01578 
1 1 1    4   13   38 o  517.026   18.872  3422.58  243.655  3652.80  300.298  2979.00  416.843  531.248   22.636  466.242   36.083 65.00662 42.59575 
1 1 1    4   13   39 o  214.915   12.526  586.104   66.935  513.483   85.155  703.519  108.278  199.658   17.249  233.312   18.743 -33.65453 25.47178 
1 1 1    4   13   40 o  159.427   11.471  323.056   45.364  324.861   61.133  320.845   67.672  158.693   15.629  157.051   17.555 1.642639 23.50471 
1 1 1    4   13   41 o  326.602   27.691  1458.95  223.716  1458.95  223.716   0.0000   0.0000  326.602   27.691  ?   ?  0.000000 27.69097 
1 1 1    4   13   42 o  139.890   11.671  250.608   40.400  282.705   57.281  218.838   56.988  147.159   15.837  128.320   18.303 18.83926 24.20345 
1 1 1    4   13   43 o  137.252   12.134  242.611   41.161  262.808   59.252  223.774   57.223  140.818   17.208  129.349   18.220 11.46844 25.06172 
1 1 1    4   13   44 f  222.074   11.394  632.170   62.976  789.510   85.121  441.897   93.606  246.730   13.872  179.785   21.261 66.94453 25.38637 
1 1 1    4   13   45 o  145.030   12.042  272.137   43.218  373.434   65.036  192.030   57.835  168.126   15.671  117.792   20.401 50.33364 25.72500 
1 1 1    4   13   46 f   83.927   16.854   96.463   34.095  152.285   65.504   75.719   39.931  101.111   25.845   73.144   20.848 27.96725 33.20504 
1 1 1    4   13   47 o   68.021   20.415   65.548   37.446   0.0000   0.0000   65.548   37.446  ?   ?    68.021   20.415 0.000000 20.41461 
1 1 1    4   14    0 o  159.882   11.972  321.678   47.451  351.057   66.453  291.115   67.779  166.558   16.181  151.203   18.325 15.35471 24.44677 
1 1 1    4   14    1 o  824.966   52.806  8907.95  1082.14  8907.95  1082.14   0.0000   0.0000  824.966   52.806  ?   ?  0.000000 52.80579 
1 1 1    4   14    2 f  800.200   51.257  8365.01  1018.87   0.0000   0.0000  8365.01  1018.87  ?   ?   800.200   51.257 0.000000 51.25745 
1 1 1    4   14    3 o  272.718   14.871  934.762  100.895  955.443  142.165  913.774  143.215  274.867   20.868  268.661   21.528 6.206848 29.98172 
1 1 1    4   14    4 o  220.403   13.370  610.558   73.240  678.697  103.297  541.676  103.859  231.837   17.983  206.588   20.398 25.24896 27.19361 
1 1 1    4   14    5 o  472.268   21.841  2807.05  257.583  2816.89  364.001  2797.18  364.554  470.189   31.178  468.483   31.342 1.705383 44.20870 
1 1 1    4   14    6 o  658.315   42.355  5593.81  692.590   0.0000   0.0000  5593.81  692.590  ?   ?   658.315   42.355 0.000000 42.35482 
1 1 1    4   14    7 o  539.553   24.429  3670.69  329.141  3873.25  465.533  3468.22  465.419  550.737   34.016  520.324   36.041 30.41315 49.55900 
1 1 1    4   14    8 o  921.955   40.394 10893.68  929.991 10837.29  1314.87 10950.12  1315.54  905.323   58.473  910.296   58.177 -4.973145 82.48399 
1 1 1    4   14    9 o  609.776   27.258  4696.98  415.069  4796.27  586.864  4597.61  587.130  611.500   38.630  598.282   39.521 13.21771 55.26511 
1 1 1    4   14   10 o  662.147   29.320  5546.27  484.814  5456.10  685.238  5636.65  686.025  650.895   42.389  661.936   41.716 -11.04053 59.47314 
1 1 1    4   14   11 o  266.148   13.947  889.402   92.373  800.840  129.844  980.156  131.441  251.599   20.854  278.798   18.993 -27.19861 28.20676 
1 1 1    4   14   12 f  236.778   10.997  701.224   65.021  722.758  111.934  690.258   79.879  239.249   18.889  234.409   13.706 4.839325 23.33759 
1 1 1    4   14   13 o  753.519   26.891  7161.21  505.998  7314.75  876.338  7084.42  619.745  752.590   46.862  747.505   33.201 5.084778 57.43129 
1 1 1    4   14   14 o  707.477   24.935  6302.85  440.520  5580.39  761.701  6665.94  539.986  657.250   46.713  726.263   29.774 -69.01202 55.39521 
1 1 1    4   14   15 o  430.494   28.993  2350.55  309.863   0.0000   0.0000  2350.55  309.863  ?   ?   430.494   28.993 0.000000 28.99263 
1 1 1    4   14   24 o  393.572   27.229  1979.60  265.970  1979.60  265.970   0.0000   0.0000  393.572   27.229  ?   ?  0.000000 27.22919 
1 1 1    4   14   25 o  626.218   19.669  4951.85  307.577  4744.17  434.856  5159.77  435.105  609.158   28.587  635.885   27.401 -26.72644 39.59810 
1 1 1    4   14   26 o  423.738   14.052  2256.79  148.693  2364.77  210.585  2149.43  209.984  432.437   19.501  412.030   20.408 20.40704 28.22735 
1 1 1    4   14   27 o  438.747   16.895  2429.65  185.107  2447.05  226.902  2395.02  320.073  439.137   20.691  429.720   30.016 9.416565 36.45650 
1 1 1    4   14   28 o  173.053   17.151  382.127   73.141   0.0000   0.0000  382.127   73.141  ?   ?   173.053   17.151 0.000000 17.15098 
1 1 1    4   14   29 f  111.353   16.165  159.804   43.636  159.804   43.636   0.0000   0.0000  111.353   16.165  ?   ?  0.000000 16.16479 
1 1 1    4   14   30 o  105.716   9.1855  141.152   24.008  155.346   30.717  118.870   38.486  110.642   11.275   95.590   16.732 15.05157 20.17682 
1 1 1    4   14   31 o  219.716   11.484  608.354   62.788  532.813   77.559  752.011  106.956  204.835   15.272  242.891   17.757 -38.05530 23.42113 
1 1 1    4   14   32 o  550.263   20.898  3865.78  287.165  3639.28  351.937  4317.00  496.727  529.631   26.696  569.298   35.112 -39.66620 44.10767 
1 1 1    4   14   33 o  112.613   21.625  167.339   58.603  167.339   58.603   0.0000   0.0000  112.613   21.625  ?   ?  0.000000 21.62546 
1 1 1    4   14   34 o  571.490   21.162  4177.05  302.004  4266.46  370.716  4000.63  520.737  574.228   25.853  543.426   38.625 30.80219 46.47827 
1 1 1    4   14   35 o  229.764   11.388  663.972   65.342  667.084   81.974  658.550  108.211  229.372   14.384  226.517   19.315 2.855469 24.08249 
1 1 1    4   14   36 o  313.823   13.664  1243.28  107.085  1246.70  132.769  1236.90  181.142  312.862   17.058  308.846   23.667 4.015686 29.17385 
1 1 1    4   14   37 o  185.139   10.098  432.000   46.511  524.569   61.001  303.452   71.884  203.687   12.046  152.992   19.241 50.69446 22.70090 
1 1 1    4   14   38 o  584.467   26.569  4477.76  387.783  4881.08  550.290  4079.90  546.546  596.041   37.156  539.698   40.856 56.34314 55.22497 
1 1 1    4   14   39 o  218.779   12.218  606.708   66.483  571.008   84.514  664.666  107.683  211.039   16.159  226.604   19.211 -15.56464 25.10322 
1 1 1    4   14   40 o  169.164   10.838  362.777   45.543  420.456   61.154  290.952   68.243  181.413   13.598  149.100   18.743 32.31337 23.15604 
1 1 1    4   14   41 o  294.065   12.908  1100.32   94.791  1173.97  119.640  976.102  155.364  301.895   15.926  270.559   23.220 31.33585 28.15705 
1 1 1    4   14   42 o  198.826   11.142  503.420   55.098  591.751   73.329  388.885   83.500  214.546   13.759  170.956   19.934 43.59041 24.22125 
1 1 1    4   14   43 o  157.937   29.375  361.367  111.590  361.367  111.590   0.0000   0.0000  157.937   29.375  ?   ?  0.000000 29.37475 
1 1 1    4   14   44 o  152.354   11.753  298.721   44.369  363.741   63.351  236.120   62.162  166.503   15.411  131.938   19.450 34.56528 24.81568 
1 1 1    4   14   45 o  125.893   12.716  206.175   39.429  244.186   59.231  175.927   52.837  134.529   18.090  113.254   19.379 21.27590 26.51029 
1 1 1    4   14   46 o  101.398   14.763  136.972   36.284  149.349   58.177  129.092   46.418  101.643   23.404   96.021   20.007 5.621803 30.79060 
1 1 1    4   14   47 o  108.782   20.002  166.314   52.333   0.0000   0.0000  166.314   52.333  ?   ?   108.782   20.002 0.000000 20.00208 
1 1 1    4   15    0 o  125.312   11.308  198.059   35.006  194.170   48.281  202.370   50.830  123.428   16.044  125.966   16.560 -2.538559 23.05730 
1 1 1    4   15    1 f  618.066   27.185  4825.36  419.583  4452.06  592.334  5201.31  594.433  588.245   40.571  637.349   37.514 -49.10388 55.25713 
1 1 1    4   15    2 o  226.190   19.045  646.928  106.570  646.928  106.570   0.0000   0.0000  226.190   19.045  ?   ?  0.000000 19.04464 
1 1 1    4   15    3 o  471.876   21.787  2800.95  256.734  2763.65  362.503  2838.49  363.654  465.881   31.341  472.270   31.007 -6.388794 44.08802 
1 1 1    4   15    4 o  572.852   25.774  4140.06  368.698  4136.38  521.055  4143.75  521.783  568.410   36.909  568.912   36.927 -0.5013428 52.21000 
1 1 1    4   15    5 o  407.911   19.407  2089.79  197.683  2094.46  279.220  2085.09  279.912  406.230   27.690  405.283   27.826 0.9470520 39.25583 
1 1 1    4   15    6 o  421.121   19.929  2228.00  209.578  2277.88  296.119  2177.93  296.658  423.617   28.153  414.000   28.876 9.617828 40.32850 
1 1 1    4   15    7 o  591.121   38.235  4478.66  561.380   0.0000   0.0000  4478.66  561.380  ?   ?   591.121   38.235 0.000000 38.23513 
1 1 1    4   15    8 o  590.640   26.482  4402.37  390.593  4457.09  552.172  4347.56  552.591  589.994   37.675  582.468   38.203 7.526184 53.65462 
1 1 1    4   15    9 o  507.869   22.606  3245.18  286.698  2919.30  404.596  3573.83  406.314  478.235   34.102  530.385   30.810 -52.14969 45.95917 
1 1 1    4   15   10 o  484.170   17.679  2940.46  213.754  2575.48  369.038  3124.73  262.219  449.386   33.119  498.630   21.059 -49.24460 39.24687 
1 1 1    4   15   11 o  270.500   10.217  914.978   69.016  613.833  118.028  1071.45   85.078  219.916   21.778  292.651   11.642 -72.73479 24.69460 
1 1 1    4   15   12 o  555.285   24.205  3882.07  335.642  3429.70  473.584  4338.61  475.764  517.882   36.860  584.152   32.747 -66.26978 49.30560 
1 1 1    4   15   13 o  542.303   19.568  3691.74  264.993  3693.00  458.469  3691.10  324.730  538.395   34.279  541.524   24.013 -3.129761 41.85296 
1 1 1    4   15   14 f  327.740   12.610  1344.12  103.204  1189.86  178.016  1422.23  126.663  306.655   23.424  336.969   15.053 -30.31320 27.84322 
1 1 1    4   15   15 o  253.254   11.268  802.234   71.264  756.996  123.148  825.011   87.382  244.694   20.338  256.353   13.700 -11.65938 24.52168 
1 1 1    4   15   16 o  573.591   37.093  4203.77  528.457   0.0000   0.0000  4203.77  528.457  ?   ?   573.591   37.093 0.000000 37.09271 
1 1 1    4   15   27 o  306.235   10.995  1176.50   84.080  1167.69  119.128  1185.25  118.689  303.934   15.750  306.259   15.570 -2.325165 22.14716 
1 1 1    4   15   28 o  252.808   9.5125  801.122   60.053  657.609   85.122  943.335   84.736  227.900   15.042  273.959   12.386 -46.05925 19.48498 
1 1 1    4   15   29 f  339.351   12.097  1447.62  102.509  1441.83  145.315  1453.36  144.626  337.054   17.323  338.451   17.168 -1.397247 24.38938 
1 1 1    4   15   30 f  153.744   11.607  298.720   44.235  291.674   62.711  305.697   62.404  150.887   16.936  154.629   16.412 -3.741638 23.58343 
1 1 1    4   15   31 o  187.418   9.0163  440.370   42.198  376.778   60.637  500.087   58.760  172.268   14.223  199.077   11.874 -26.80894 18.52773 
1 1 1    4   15   32 o  217.172   10.302  592.126   55.868  621.953   69.492  537.619   93.943  221.927   12.591  204.886   18.563 17.04097 22.43026 
1 1 1    4   15   33 o  235.489   10.808  696.696   63.557  711.760   79.036  669.127  106.921  237.264   13.394  228.606   18.899 8.658249 23.16423 
1 1 1    4   15   34 o  117.773   10.261  175.478   29.877  170.396   38.878  182.807   46.693  115.436   13.758  119.128   16.109 -3.691635 21.18479 
1 1 1    4   15   35 o  344.044   26.090  1542.46  222.479  1542.46  222.479   0.0000   0.0000  344.044   26.090  ?   ?  0.000000 26.08972 
1 1 1    4   15   36 o  299.119   12.728  1127.87   95.074  1184.42  118.153  1023.99  160.133  305.437   15.542  281.149   23.010 24.28778 27.76712 
1 1 1    4   15   37 o  262.719   11.729  869.319   76.952  933.248   96.732  759.127  126.998  271.268   14.331  242.296   21.203 28.97139 25.59154 
1 1 1    4   15   38 o  441.582   17.971  2489.95  198.165  2389.92  244.040  2683.60  339.538  429.154   22.854  448.334   30.509 -19.18069 38.11960 
1 1 1    4   15   39 o   74.588   13.600   72.608   24.398   90.140   38.161   60.488   31.729   82.209   18.974   67.567   18.337 14.64190 26.38644 
1 1 1    4   15   40 o  288.105   14.898  1060.93  106.814  1241.71  153.972  893.220  148.302  308.906   20.069  260.084   23.074 48.82196 30.58030 
1 1 1    4   15   41 o  178.255   10.966  403.570   48.576  464.052   65.458  329.440   72.468  190.257   13.873  158.383   18.682 31.87378 23.26987 
1 1 1    4   15   42 o  232.862   11.789  691.287   68.327  775.811   89.044  570.249  106.556  245.400   14.596  206.878   20.913 38.52217 25.50317 
1 1 1    4   15   43 o  127.972   11.993  210.788   37.879  223.648   54.048  198.374   53.103  129.945   17.069  121.890   17.987 8.055443 24.79653 
1 1 1    4   15   44 o  183.827   11.966  434.408   54.632  468.363   73.638  392.839   81.476  188.966   15.749  170.822   19.447 18.14421 25.02393 
1 1 1    4   15   45 o  178.778   31.623  484.285  136.013  484.285  136.013   0.0000   0.0000  178.778   31.623  ?   ?  0.000000 31.62303 
1 1 1    4   15   46 o  166.257   12.458  358.628   51.346  409.793   73.365  309.506   71.885  175.046   16.998  150.298   19.621 24.74756 25.95989 
1 1 1    4   16    0 o  130.653   11.598  215.295   37.447  222.345   51.620  207.464   54.406  132.215   15.957  127.390   17.570 4.825043 23.73488 
1 1 1    4   16    1 o   81.596   17.705   86.778   35.039   0.0000   0.0000   86.778   35.039  ?   ?    81.596   17.705 0.000000 17.70523 
1 1 1    4   16    2 o  632.932   40.758  5155.13  640.775  5155.13  640.775   0.0000   0.0000  632.932   40.758  ?   ?  0.000000 40.75799 
1 1 1    4   16    3 o  458.414   20.819  2641.90  238.320  2412.66  335.931  2874.19  338.151  435.184   31.117  475.882   28.588 -40.69717 42.25570 
1 1 1    4   16    4 o  399.624   19.089  2005.39  190.493  1986.71  268.654  2024.28  270.148  395.666   27.358  399.432   27.246 -3.765839 38.61135 
1 1 1    4   16    5 f  197.230   11.625  488.402   57.004  374.150   79.574  608.837   81.698  171.613   18.881  219.934   14.964 -48.32182 24.09169 
1 1 1    4   16    6 o  619.490   27.346  4846.81  423.034  4545.76  597.425  5149.56  599.099  594.663   40.472  634.136   38.008 -39.47296 55.52082 
1 1 1    4   16    7 o  235.555   12.686  696.500   74.346  550.833  104.250  847.254  106.055  208.418   20.288  259.443   16.455 -51.02464 26.12181 
1 1 1    4   16    8 o  343.893   13.940  1480.94  119.716  1442.47  206.255  1500.48  147.015  337.477   24.645  345.906   17.020 -8.429352 29.95041 
1 1 1    4   16    9 o  585.214   37.856  4384.38  550.254   0.0000   0.0000  4384.38  550.254  ?   ?   585.214   37.856 0.000000 37.85565 
1 1 1    4   16   10 o  272.709   12.224  930.624   83.247  969.098  143.158  910.967  102.327  276.939   20.854  269.217   15.284 7.721985 25.85462 
1 1 1    4   16   11 f  644.363   22.821  5223.60  367.212  4706.42  634.668  5483.86  450.224  604.748   42.293  659.136   27.353 -54.38776 50.36711 
1 1 1    4   16   12 o  367.709   13.974  1692.99  128.316  1430.45  221.132  1826.27  157.554  335.741   26.593  381.693   16.530 -45.95267 31.31148 
1 1 1    4   16   13 o  531.402   23.780  3554.61  315.557  3330.22  445.541  3780.47  446.992  510.776   35.145  545.041   32.997 -34.26456 48.20710 
1 1 1    4   16   14 o  224.745   10.645  631.701   59.743  604.732  102.853  645.433   73.394  218.690   19.023  226.712   13.019 -8.021790 23.05143 
1 1 1    4   16   15 o  695.339   24.952  6091.63  433.267  6035.19  750.205  6119.88  530.725  684.301   44.137  695.389   30.563 -11.08771 53.68577 
1 1 1    4   16   16 o  318.477   13.161  1269.67  104.666  1345.32  181.325  1231.87  128.175  326.286   22.389  313.047   16.454 13.23874 27.78522 
1 1 1    4   16   17 o  239.001   13.579  717.518   80.707   0.0000   0.0000  717.518   80.707  ?   ?   239.001   13.579 0.000000 13.57863 
1 1 1    4   16   28 o  503.118   34.155  3337.57  426.573  3337.57  426.573   0.0000   0.0000  503.118   34.155  ?   ?  0.000000 34.15488 
1 1 1    4   16   29 o  216.506   9.0972  587.569   49.185  570.349   69.901  604.454   69.219  212.446   13.242  218.826   12.722 -6.380615 18.36294 
1 1 1    4   16   30 f  227.946   9.3419  651.554   53.176  666.226   75.755  637.304   74.662  229.625   13.268  224.547   13.376 5.078293 18.83986 
1 1 1    4   16   31 o  366.358   12.416  1689.02  113.587  1809.24  161.271  1570.68  160.010  377.855   17.091  351.233   18.306 26.62189 25.04488 
1 1 1    4   16   32 o  208.827   12.979  551.358   67.347  489.581   95.274  613.055   95.212  195.075   19.834  219.157   17.545 -24.08244 26.47992 
1 1 1    4   16   33 o  139.023   8.8658  243.305   30.619  180.374   44.945  297.802   41.825  118.451   15.572  153.559   10.980 -35.10841 19.05369 
1 1 1    4   16   34 o  450.443   15.196  2565.48  170.930  2528.18  242.550  2602.28  240.923  444.192   21.867  450.899   21.397 -6.707581 30.59355 
1 1 1    4   16   35 o  285.127   11.045  1022.12   78.641  953.529  112.790  1087.01  109.704  273.737   16.578  292.803   15.055 -19.06607 22.39373 
1 1 1    4   16   36 f  294.591   10.473  1090.66   77.045  1240.53  111.519  953.816  106.566  313.313   14.253  273.972   15.641 39.34122 21.16140 
1 1 1    4   16   37 o  373.768   19.904  1792.99  185.106  1558.24  265.463  2015.16  258.247  341.474   31.486  392.268   26.519 -50.79391 41.16576 
1 1 1    4   16   38 f  306.650   13.040  1188.17   99.857  1249.09  124.439  1077.99  167.347  313.104   15.968  287.434   23.521 25.67075 28.42909 
1 1 1    4   16   39 o  220.920   11.315  617.242   62.212  682.521   79.566  514.558   99.791  231.629   13.819  198.760   20.394 32.86908 24.63501 
1 1 1    4   16   40 o   95.254   12.136  116.641   28.212  129.202   41.070  105.417   38.822   99.021   17.235   89.017   18.081 10.00455 24.97976 
1 1 1    4   16   41 o  119.228   11.850  181.969   34.815  190.261   48.880  173.432   49.600  120.544   16.685  114.593   17.920 5.951103 24.48515 
1 1 1    4   16   42 o  104.397   13.344  141.368   33.991  149.321   53.723  136.059   43.894  104.621   21.288  100.879   18.089 3.741890 27.93491 
1 1 1    4   16   43 f  128.370   11.748  211.788   37.241  260.784   53.594  166.039   51.787  141.183   15.454  110.764   19.432 30.41970 24.82741 
1 1 1    4   16   44 o  222.871   12.006  637.684   66.570  722.455   87.855  523.392  102.013  235.474   15.019  196.266   21.148 39.20747 25.93866 
1 1 1    4   16   45 o  139.363   12.320  251.453   42.435  303.025   61.158  203.574   58.927  151.078   16.478  121.745   20.083 29.33316 25.97795 
1 1 1    4   17    0 o  424.910   29.009  2299.96  305.970   0.0000   0.0000  2299.96  305.970  ?   ?   424.910   29.009 0.000000 29.00910 
1 1 1    4   17    1 o  586.929   26.298  4354.60  385.448  4252.25  544.107  4457.70  546.109  574.969   38.112  589.102   37.315 -14.13324 53.33792 
1 1 1    4   17    2 o  242.781   14.041  740.911   84.763  755.109  118.882  726.229  120.891  244.331   19.651  239.458   20.412 4.873108 28.33341 
1 1 1    4   17    3 o  518.330   23.668  3386.21  306.348  3402.14  432.701  3370.19  433.784  516.020   33.765  513.492   34.022 2.528198 47.93309 
1 1 1    4   17    4 o  720.417   30.982  6582.72  557.372  5859.79  786.662  7311.49  789.834  671.361   47.223  753.201   42.162 -81.84009 63.30615 
1 1 1    4   17    5 o  378.649   26.295  1818.60  247.091  1818.60  247.091   0.0000   0.0000  378.649   26.295  ?   ?  0.000000 26.29488 
1 1 1    4   17    6 o  206.676   11.000  535.873   56.565  563.323   95.864  521.211   70.062  211.053   18.372  203.533   13.867 7.519791 23.01845 
1 1 1    4   17    7 o  476.804   17.540  2852.30  208.843  2620.62  360.190  2969.64  256.327  453.418   32.017  485.986   21.121 -32.56827 38.35635 
1 1 1    4   17    8 o  816.076   28.312  8418.96  576.969  7311.57  996.847  8976.82  707.526  746.942   53.803  840.523   33.709 -93.58093 63.49075 
1 1 1    4   17    9 o  147.049   9.0350  271.344   33.017  219.393   54.609  301.275   41.451  131.174   17.076  154.823   10.789 -23.64909 20.19861 
1 1 1    4   17   10 o  437.827   29.502  2435.77  320.678   0.0000   0.0000  2435.77  320.678  ?   ?   437.827   29.502 0.000000 29.50225 
1 1 1    4   17   11 o  432.982   16.035  2349.92  173.376  2035.43  298.965  2509.28  212.817  399.914   30.159  447.064   19.063 -47.14990 35.67814 
1 1 1    4   17   12 o  494.150   18.185  3064.14  224.404  2895.44  387.733  3149.10  275.174  476.622   32.776  500.373   22.022 -23.75085 39.48726 
1 1 1    4   17   13 o  355.245   14.059  1580.44  124.717  1484.96  215.099  1628.80  153.073  342.287   25.345  360.389   17.009 -18.10181 30.52348 
1 1 1    4   17   14 o  293.445   12.262  1077.64   89.854  979.688  154.840  1127.37  110.331  278.151   22.484  299.987   14.728 -21.83557 26.87864 
1 1 1    4   17   15 o  369.271   17.591  1710.80  162.214  1977.44  229.689  1445.46  229.123  395.613   23.353  337.197   27.449 58.41614 36.03888 
1 1 1    4   17   16 o  622.508   22.453  4877.47  349.029  5121.65  604.816  4755.55  427.373  631.931   38.511  613.346   27.903 18.58441 47.55677 
1 1 1    4   17   17 o  242.200   11.175  733.955   67.586  770.383  117.085  715.750   82.769  246.916   19.138  238.635   13.950 8.280533 23.68293 
1 1 1    4   17   18 o  108.432   8.9841  148.017   24.107  185.968   41.383  128.522   29.660  121.043   13.946  100.615   12.044 20.42778 18.42688 
1 1 1    4   17   31 o  446.875   14.828  2521.81  165.473  2477.86  234.170  2565.65  233.857  440.336   21.296  448.263   20.891 -7.927002 29.83231 
1 1 1    4   17   32 o  462.677   15.351  2706.29  177.360  2654.15  251.113  2758.19  250.538  455.199   22.091  464.287   21.609 -9.088440 30.90257 
1 1 1    4   17   33 o  187.154   8.2373  438.941   38.498  458.301   55.884  421.456   53.109  190.513   11.805  182.683   11.703 7.830063 16.62298 
1 1 1    4   17   34 o  220.714   13.369  616.462   73.340  580.479  103.799  652.333  103.638  212.460   19.792  225.709   18.552 -13.24899 27.12722 
1 1 1    4   17   35 o  178.611   8.2695  399.893   36.884  473.683   54.709  338.405   49.941  193.732   11.358  163.465   12.325 30.26706 16.76051 
1 1 1    4   17   36 o  149.917   8.9926  282.985   33.510  231.317   50.366  324.022   44.886  134.340   15.286  160.089   11.301 -25.74916 19.00933 
1 1 1    4   17   37 o  174.339   9.3965  382.747   40.757  329.328   60.928  426.012   54.832  160.484   15.392  183.477   12.034 -22.99315 19.53790 
1 1 1    4   17   38 o  286.062   12.522  1033.15   89.450  1102.76  111.727  908.866  149.288  294.384   15.250  264.052   22.866 30.33264 27.48533 
1 1 1    4   17   39 o  130.832   10.668  217.091   34.550  240.671   82.831  212.125   38.015  133.300   25.816  129.065   11.930 4.234879 28.43932 
1 1 1    4   17   40 o  154.367   9.2285  300.993   35.412  283.575   56.221  312.448   45.592  148.289   15.407  156.741   11.733 -8.451965 19.36627 
1 1 1    4   17   41 o  132.758   9.3350  223.277   30.751  227.320   51.033  220.972   38.532  132.242   15.764  131.488   11.863 0.7537994 19.72902 
1 1 1    4   17   42 o   77.324   10.696   77.147   20.099   81.187   39.312   75.717   23.387   77.173   20.173   76.092   12.760 1.081139 23.86993 
1 1 1    4   17   43 o  150.979   9.1994  289.359   34.518  356.749   58.149  252.690   42.893  165.930   14.169  140.100   12.388 25.82938 18.82098 
1 1 1    4   17   44 o  247.516   14.025  793.638   86.332  977.572  125.581  628.812  118.879  271.107   18.663  214.166   22.568 56.94031 29.28524 
1 1 1    4   17   45 o   85.366   10.975   94.527   22.853  100.596   47.764   92.725   26.026   84.232   22.341   83.981   12.816 0.2512360 25.75642 
1 1 1    4   17   46 o   34.671   13.273   11.119   16.061   0.0000   0.0000   11.119   16.061  ?   ?    34.671   13.273 0.000000 13.27296 
1 1 1    4   18    0 o  228.804   13.422  658.473   76.351  610.773  106.540  708.835  109.472  219.386   19.655  236.641   18.677 -17.25525 27.11393 
1 1 1    4   18    1 o  209.182   19.155  554.982   98.947   0.0000   0.0000  554.982   98.947  ?   ?   209.182   19.155 0.000000 19.15475 
1 1 1    4   18    2 o  255.016   12.053  814.311   76.758  894.422  129.460  770.881   95.319  265.936   19.633  247.415   15.506 18.52142 25.01794 
1 1 1    4   18    3 o  799.492   27.853  8096.93  556.074  7124.14  960.315  8587.65  682.058  734.891   52.678  820.853   33.274 -85.96173 62.30691 
1 1 1    4   18    4 o  444.015   17.179  2474.76  190.478  2512.72  328.305  2455.49  233.863  444.098   29.776  441.669   21.204 2.429138 36.55440 
1 1 1    4   18    5 o  542.438   19.724  3699.03  267.178  3399.82  460.876  3850.49  327.900  514.768   36.081  552.583   23.763 -37.81421 43.20277 
1 1 1    4   18    6 o  195.148   12.592  478.767   61.037  449.399   82.635  514.027   90.545  188.381   17.776  201.520   18.189 -13.13898 25.43271 
1 1 1    4   18    7 o  367.863   14.967  1696.04  137.486  1772.44  236.747  1657.16  168.881  373.877   25.510  362.764   18.706 11.11215 31.63344 
1 1 1    4   18    8 o  495.991   18.587  3089.31  230.215  3052.28  397.517  3108.01  282.392  489.038   32.740  496.779   22.763 -7.740295 39.87580 
1 1 1    4   18    9 o  341.992   13.838  1464.95  118.183  1412.90  203.204  1491.56  145.282  333.863   24.545  344.820   16.872 -10.95743 29.78494 
1 1 1    4   18   10 o  195.834   10.084  480.911   49.148  438.014   82.838  504.212   61.054  185.939   18.069  200.334   12.263 -14.39525 21.83735 
1 1 1    4   18   11 o  443.461   29.839  2501.84  328.513   0.0000   0.0000  2501.84  328.513  ?   ?   443.461   29.839 0.000000 29.83866 
1 1 1    4   18   12 o  608.199   21.898  4654.82  332.580  4318.06  574.844  4824.26  407.752  579.286   39.983  618.076   26.418 -38.79010 47.92224 
1 1 1    4   18   13 o  797.076   28.387  8037.93  565.021  7941.42  978.002  8086.28  692.234  779.890   50.488  796.857   34.787 -16.96674 61.31271 
1 1 1    4   18   14 o  256.121   11.140  820.751   71.253  705.841  122.378  879.682   87.639  235.984   20.986  265.044   13.241 -29.05943 24.81404 
1 1 1    4   18   15 o  220.913   10.623  610.520   58.602  598.573  100.995  616.584   71.954  217.502   18.779  221.515   13.066 -4.013275 22.87677 
1 1 1    4   18   16 o  101.210   10.651  129.568   26.515  187.309   37.707   73.093   37.291  121.665   12.593   74.906   19.680 46.75837 23.36453 
1 1 1    4   18   17 o  462.783   17.436  2689.17  201.503  2720.91  349.038  2673.30  246.782  461.917   30.430  460.754   21.448 1.163055 37.22896 
1 1 1    4   18   18 o  446.137   16.835  2499.09  187.557  2296.01  324.433  2601.02  229.860  423.790   30.869  454.580   20.249 -30.78992 36.91755 
1 1 1    4   18   19 o  521.576   19.291  3423.66  251.266  3257.25  434.762  3507.13  307.894  503.185   34.814  526.919   23.400 -23.73380 41.94678 
1 1 1    4   18   33 o  153.288   8.6243  295.504   32.879  207.396   47.133  379.017   45.887  127.222   15.133  173.368   10.651 -46.14617 18.50501 
1 1 1    4   18   34 o  452.620   14.939  2590.08  168.857  2623.92  239.231  2556.50  238.371  452.747   21.160  446.785   21.365 5.961517 30.07001 
1 1 1    4   18   35 o  375.324   12.449  1774.80  116.675  1928.39  166.097  1625.19  163.930  389.692   17.068  356.795   18.462 32.89755 25.14305 
1 1 1    4   18   36 o   74.162   12.393   71.137   22.142   95.999   31.874   47.952   30.781   85.805   15.443   61.112   18.547 24.69242 24.13445 
1 1 1    4   18   37 o  230.583   9.9354  668.147   57.209  631.790   83.003  701.047   78.959  222.826   15.004  235.180   13.501 -12.35374 20.18439 
1 1 1    4   18   38 o  159.408   9.3153  320.343   36.920  257.768   55.669  369.478   49.330  141.517   16.036  170.802   11.635 -29.28517 19.81213 
1 1 1    4   18   39 o  229.536   9.6143  662.885   55.109  716.159   81.639  618.290   74.694  237.232   13.841  220.434   13.636 16.79893 19.42982 
1 1 1    4   18   40 o  106.576   14.363  147.086   37.251  149.942   79.029  146.270   42.238  103.724   29.248  105.678   16.549 -1.954391 33.60494 
1 1 1    4   18   41 o  235.696   11.701  704.410   68.872  847.947  137.408  656.251   79.592  252.962   21.971  226.285   14.156 26.67702 26.13627 
1 1 1    4   18   42 o  172.143   9.1554  375.150   39.215  442.027   62.530  331.796   50.346  185.422   13.599  160.847   12.636 24.57477 18.56368 
1 1 1    4   18   43 o  170.804   9.3782  370.298   39.848  411.484   63.987  344.207   50.928  178.118   14.512  163.598   12.562 14.52019 19.19366 
1 1 1    4   18   44 o  119.433   9.8369  182.292   29.077  222.875   51.259  163.037   35.308  129.797   16.165  111.984   12.859 17.81240 20.65561 
1 1 1    4   18   45 o   78.322   13.714   81.443   25.844   0.0000   0.0000   81.443   25.844  ?   ?    78.322   13.714 0.000000 13.71350 
1 1 1    4   19    0 o   73.948   16.272   71.438   29.234   71.438   29.234   0.0000   0.0000   73.948   16.272  ?   ?  0.000000 16.27240 
1 1 1    4   19    1 o  204.903   10.208  525.597   52.232  438.649   85.068  578.215   66.176  185.725   18.592  214.426   12.412 -28.70134 22.35395 
1 1 1    4   19    2 o  245.134   11.629  752.660   71.188  749.890  119.211  754.195   88.749  243.172   19.803  244.734   14.588 -1.562164 24.59644 
1 1 1    4   19    3 f  203.168   18.705  523.639   93.832   0.0000   0.0000  523.639   93.832  ?   ?   203.168   18.705 0.000000 18.70475 
1 1 1    4   19    4 o  319.540   13.876  1280.04  110.726  1432.66  189.430  1200.82  136.467  336.184   22.697  308.595   17.784 27.58893 28.83469 
1 1 1    4   19    5 o  458.546   16.168  2639.17  185.133  2206.68  317.757  2861.43  227.789  415.352   30.856  476.965   19.125 -61.61267 36.30230 
1 1 1    4   19    6 o  419.136   16.146  2204.62  168.998  2120.21  290.744  2247.69  207.686  407.843   28.731  422.692   19.676 -14.84827 34.82261 
1 1 1    4   19    7 o  186.160   10.713  435.079   49.590  492.427   82.560  402.710   62.026  197.342   16.917  178.715   14.010 18.62662 21.96531 
1 1 1    4   19    8 o  121.664   11.764  187.013   35.294  175.907   45.108  204.544   56.676  117.383   15.789  126.275   18.524 -8.891922 24.34015 
1 1 1    4   19    9 o  338.862   14.572  1439.32  123.305  1807.65  212.610  1252.65  151.361  378.060   22.624  315.079   19.331 62.98074 29.75778 
1 1 1    4   19   10 o  474.097   17.762  2822.58  210.282  2691.37  362.858  2888.93  258.027  459.005   31.854  478.986   21.572 -19.98083 38.47121 
1 1 1    4   19   11 o  292.270   13.015  1069.86   94.988  1178.51  163.188  1014.18  116.817  305.196   21.551  283.819   16.554 21.37708 27.17464 
1 1 1    4   19   12 o  173.737   11.051  379.244   47.694  510.992   80.818  308.842   59.078  201.172   16.226  156.196   15.344 44.97620 22.33198 
1 1 1    4   19   13 o  134.391   16.622  230.057   54.593   0.0000   0.0000  230.057   54.593  ?   ?   134.391   16.622 0.000000 16.62161 
1 1 1    4   19   14 o  620.591   22.447  4854.40  347.873  4636.07  601.726  4964.00  426.341  598.935   40.469  626.160   27.266 -27.22449 48.79736 
1 1 1    4   19   15 o  400.828   15.602  2015.50  156.167  1988.85  270.062  2028.89  191.416  395.295   27.530  401.689   19.083 -6.393829 33.49717 
1 1 1    4   19   16 f  321.467   13.244  1294.88  106.318  1204.61  183.843  1340.24  130.321  307.898   24.103  326.787   15.970 -18.88943 28.91338 
1 1 1    4   19   17 o  322.313   16.261  1307.69  130.457  1437.56  184.751  1178.55  184.238  336.864   22.085  304.350   24.448 32.51437 32.94561 
1 1 1    4   19   18 o  141.121   9.2552  250.206   32.435  320.517   56.445  215.544   39.632  159.210   14.352  130.592   12.298 28.61771 18.89980 
1 1 1    4   19   19 o  573.086   20.855  4144.11  298.454  4190.60  516.846  4120.85  365.561  569.090   36.562  569.935   25.685 -0.8449707 44.68266 
1 1 1    4   19   20 o  264.188   11.428  874.451   75.395  696.000  129.911  965.082   92.582  233.500   22.561  277.367   13.367 -43.86705 26.22310 
1 1 1    4   19   35 o  182.596   8.6661  418.160   39.515  374.824   56.703  459.077   55.097  171.857   13.317  190.635   11.629 -18.77887 17.67986 
1 1 1    4   19   36 o  287.864   10.680  1042.02   76.777  1068.84  109.566  1016.14  107.617  290.125   15.176  282.825   15.294 7.299255 21.54583 
1 1 1    4   19   37 o  166.388   7.8338  347.094   32.550  436.382   48.534  274.103   43.881  185.974   10.493  146.970   12.063 39.00359 15.98817 
1 1 1    4   19   38 o  155.084   11.992  305.259   46.079  318.207   65.368  292.469   64.966  157.128   16.927  150.367   17.637 6.761047 24.44504 
1 1 1    4   19   39 o   67.247   10.091   58.182   16.422   52.458   28.380   61.063   20.136   63.035   17.440   68.506   12.218 -5.471249 21.29437 
1 1 1    4   19   40 o  238.276   9.9048  715.790   58.936  743.183   86.854  692.413   80.234  241.064   14.495  232.894   13.859 8.170471 20.05434 
1 1 1    4   19   41 o  125.440   9.2624  199.466   28.809  181.626   46.428  210.636   36.737  117.833   16.207  128.393   11.583 -10.56047 19.92080 
1 1 1    4   19   42 f  139.603   11.327  249.100   39.148  239.335   53.141  260.690   57.892  135.267   16.045  140.957   16.776 -5.689941 23.21376 
1 1 1    4   19   43 o   43.940   15.101   23.101   20.027   37.833   83.089   22.193   20.636   70.440   29.091   43.644   15.310 26.79561 32.87391 
1 1 1    4   19   44 o  108.766   9.6965  151.293   26.060  192.064   46.303  132.391   31.528  120.520   15.763  100.780   12.818 19.73992 20.31641 
1 1 1    4   19   45 o   46.301   14.424   27.851   18.470   0.0000   0.0000   27.851   18.470  ?   ?    46.301   14.424 0.000000 14.42394 
1 1 1    4   20    0 o  252.748   12.721  804.068   80.035  969.741  134.589  713.431   99.549  276.184   19.643  237.285   16.911 38.89900 25.91942 
1 1 1    4   20    1 f  478.238   18.025  2885.10  215.267  2865.24  370.029  2895.26  264.663  470.650   31.668  477.828   22.180 -7.178223 38.66309 
1 1 1    4   20    2 o  120.448   11.188  183.357   33.268  253.096   51.517  133.473   43.571  141.156   14.837  101.465   17.848 39.69120 23.20961 
1 1 1    4   20    3 o  512.806   18.787  3315.19  240.576  3114.64  414.151  3417.32  295.554  490.670   34.010  519.476   22.784 -28.80560 40.93613 
1 1 1    4   20    4 o  282.784   21.935  1016.65  153.683   0.0000   0.0000  1016.65  153.683  ?   ?   282.784   21.935 0.000000 21.93479 
1 1 1    4   20    5 o  393.201   15.665  1941.96  153.809  2009.61  264.197  1907.28  189.173  396.862   26.816  388.551   19.559 8.311768 33.19125 
1 1 1    4   20    6 f  644.864   23.614  5259.77  380.268  5495.42  657.584  5141.37  466.107  649.846   40.728  635.335   29.379 14.51111 50.21801 
1 1 1    4   20    7 o  336.946   14.418  1424.20  121.313  1629.92  208.352  1318.69  149.215  358.362   23.411  323.209   18.565 35.15268 29.87884 
1 1 1    4   20    8 o  353.487   14.331  1567.19  126.504  1530.65  217.036  1585.99  155.685  346.836   25.232  355.203   17.552 -8.367645 30.73588 
1 1 1    4   20    9 o  609.657   27.617  4716.97  420.442  5171.19  594.150  4261.38  595.040  632.887   37.766  572.112   41.942 60.77502 56.43966 
1 1 1    4   20   10 o  259.916   12.236  846.195   79.421  972.211  135.810  780.699   97.909  277.209   19.748  248.893   15.835 28.31606 25.31264 
1 1 1    4   20   11 o  145.793   11.054  267.601   39.946  417.166   66.732  184.083   49.867  181.766   14.831  119.857   17.150 61.90923 22.67320 
1 1 1    4   20   12 o  351.457   14.144  1548.86  124.139  1521.31  213.690  1562.90  152.513  345.919   24.904  352.672   17.317 -6.752838 30.33354 
1 1 1    4   20   13 o  508.670   18.872  3255.51  239.723  3116.26  414.237  3325.63  293.946  492.432   33.893  513.185   22.937 -20.75253 40.92460 
1 1 1    4   20   14 f  198.564   18.276  500.022   89.602   0.0000   0.0000  500.022   89.602  ?   ?   198.564   18.276 0.000000 18.27554 
1 1 1    4   20   15 o  444.527   16.903  2483.36  187.634  2634.73  324.868  2407.59  229.847  454.227   28.790  436.910   21.067 17.31665 35.67416 
1 1 1    4   20   16 o  349.808   14.111  1535.08  123.266  1493.46  213.225  1555.97  151.068  342.414   25.112  351.779   17.197 -9.365326 30.43565 
1 1 1    4   20   17 o   71.117   9.6713   64.455   16.730   66.594   28.971   63.385   20.492   71.373   16.573   70.127   12.141 1.246262 20.54425 
1 1 1    4   20   18 o  164.531   9.6236  339.976   39.368  395.535   68.296  312.330   48.177  176.738   15.636  157.364   12.359 19.37398 19.93057 
1 1 1    4   20   19 f  485.219   18.259  2967.19  221.235  3030.50  383.212  2935.54  270.949  484.853   31.827  481.456   22.536 3.397614 38.99790 
1 1 1    4   20   20 o  431.198   16.398  2340.37  176.576  2498.70  305.978  2261.31  216.211  441.376   27.904  422.904   20.473 18.47235 34.60934 
1 1 1    4   20   21 o  306.913   12.550  1182.15   96.187  1354.87  166.460  1095.56  117.854  326.565   20.517  294.551   16.083 32.01382 26.06924 
1 1 1    4   20   38 o  348.707   11.925  1534.83  103.842  1596.00  147.821  1475.24  145.907  353.740   16.734  339.456   17.269 14.28412 24.04703 
1 1 1    4   20   39 f  323.797   11.410  1324.10   92.261  1414.79  132.064  1237.65  128.945  332.935   15.885  310.636   16.684 22.29883 23.03630 
1 1 1    4   20   40 o  165.464   10.203  346.751   41.952  352.824   53.633  337.179   67.335  166.180   13.029  161.158   16.988 5.022202 21.40848 
1 1 1    4   20   41 o  246.331   14.183  778.140   86.875  874.376  123.360  683.449  122.366  258.367   19.258  226.717   21.886 31.64977 29.15235 
1 1 1    4   20   42 o  118.868   9.2973  179.584   27.378  175.100   44.024  182.411   34.960  115.533   15.663  119.145   11.910 -3.612755 19.67696 
1 1 1    4   20   43 o   81.513   10.230   85.596   20.365   71.989   35.526   92.257   24.854   72.510   19.285   84.161   12.180 -11.65018 22.80920 
1 1 1    4   20   44 o   95.947   11.730  119.386   27.520  143.166   94.546  117.185   28.766   97.671   32.819   94.827   12.448 2.843460 35.10037 
1 1 1    4   21    0 o   27.875   11.345   3.6945   12.405   13.627   14.359 -25.5430   24.635   35.681   12.745   28.823   13.523 6.857143 18.58275 
1 1 1    4   21    1 o  177.572   12.600  398.174   55.508  352.161   70.899  471.047   89.225  166.067   17.353  191.979   18.855 -25.91133 25.62463 
1 1 1    4   21    2 o  118.631   10.946  177.981   32.060  224.205   49.082  143.582   42.341  132.608   15.091  105.453   16.630 27.15497 22.45615 
1 1 1    4   21    3 o  179.473   10.178  404.903   45.430  362.727   72.853  431.739   58.112  168.665   17.554  185.015   12.654 -16.34964 21.63946 
1 1 1    4   21    4 o  320.904   14.128  1294.10  113.214  1441.68  193.247  1216.97  139.698  336.137   23.163  310.041   18.122 26.09622 29.41031 
1 1 1    4   21    5 o  234.886   11.051  691.437   64.822  623.640  107.382  730.308   81.308  221.350   19.630  240.794   13.577 -19.44354 23.86831 
1 1 1    4   21    6 o  695.418   31.181  6209.29  541.493   0.0000   0.0000  6209.29  541.493  ?   ?   695.418   31.181 0.000000 31.18144 
1 1 1    4   21    7 o  256.035   11.396  821.470   72.865  750.891  122.760  859.861   90.538  242.993   20.420  261.352   13.923 -18.35887 24.71490 
1 1 1    4   21    8 o  486.712   18.496  2985.16  224.803  3029.59  387.848  2962.68  275.870  484.844   32.217  483.714   22.838 1.130432 39.49100 
1 1 1    4   21    9 o   95.072   10.821  114.659   25.233  152.328   38.972   87.470   33.110  109.183   14.665   81.928   16.749 27.25540 22.26143 
1 1 1    4   21   10 o  203.912   14.470  524.575   73.204  646.345  100.893  389.210  106.376  225.864   18.038  173.389   25.314 52.47562 31.08372 
1 1 1    4   21   11 o  354.944   14.563  1581.66  129.079  1665.30  222.240  1539.08  158.565  361.544   24.765  349.127   18.251 12.41681 30.76349 
1 1 1    4   21   12 o  321.684   13.291  1297.95  106.771  1249.44  183.368  1322.84  131.331  313.234   23.616  324.394   16.212 -11.15967 28.64540 
1 1 1    4   21   13 o  248.621   11.261  774.342   69.912  722.354  119.550  801.362   86.186  238.418   20.272  252.351   13.728 -13.93320 24.48315 
1 1 1    4   21   14 o  507.549   19.007  3247.36  240.907  3532.80  417.110  3104.48  295.104  523.921   32.035  494.898   23.879 29.02267 39.95543 
1 1 1    4   21   15 o  180.996   17.684  416.346   78.908   0.0000   0.0000  416.346   78.908  ?   ?   180.996   17.684 0.000000 17.68427 
1 1 1    4   21   16 o  186.542   9.7858  436.846   45.426  667.942   79.072  323.004   55.498  230.265   13.815  159.789   14.051 70.47594 19.70531 
1 1 1    4   21   17 o  498.636   18.682  3136.38  232.625  3275.62  403.085  3066.84  284.848  503.621   32.220  491.724   23.198 11.89679 39.70199 
1 1 1    4   21   18 o  184.089   9.9706  425.665   45.664  500.404   79.557  388.943   55.765  198.749   16.170  175.590   12.806 23.15941 20.62663 
1 1 1    4   21   19 o  374.061   14.837  1759.64  138.596  1623.29  239.771  1828.05  169.846  355.316   27.230  380.651   17.868 -25.33505 32.56910 
1 1 1    4   21   20 o  784.130   35.233  8009.31  689.909  7851.88  975.282  8167.00  976.075  756.959   51.909  773.469   50.818 -16.50903 72.64236 
1 1 1    4   21   21 o  457.818   17.314  2646.36  197.945  3008.85  343.203  2465.67  242.309  482.799   28.594  439.845   22.131 42.95380 36.15808 
1 1 1    4   21   22 o  183.985   10.249  425.741   46.901  452.369   80.412  412.012   57.739  188.453   17.279  180.602   12.887 7.850464 21.55594 
1 1 1    4   21   23 o  198.235   18.057  501.476   88.409   0.0000   0.0000  501.476   88.409  ?   ?   198.235   18.057 0.000000 18.05735 
1 1 1    4   21   40 o  173.078   9.9028  379.122   42.623  391.376   75.986  373.496   51.486  173.329   17.809  171.213   12.120 2.115540 21.54181 
1 1 1    4   21   41 o  219.047   9.4143  605.646   51.496  600.722   74.849  610.071   70.960  216.354   13.928  218.388   13.072 -2.033722 19.10114 
1 1 1    4   21   42 o  118.464   8.6706  178.025   25.472  185.779   40.160  172.807   32.947  119.672   13.684  116.008   11.526 3.664314 17.89145 
1 1 1    4   21   43 o   63.521   14.597   54.095   22.669   41.728   34.169   63.817   30.297   57.685   19.728   68.497   17.614 -10.81265 26.44677 
1 1 1    4   21   44 o   71.511   18.813   70.405   34.049   0.0000   0.0000   70.405   34.049  ?   ?    71.511   18.813 0.000000 18.81340 
1 1 1    4   22    0 f  205.021   11.531  530.360   58.796  572.201   95.869  505.135   74.439  211.346   18.347  199.332   15.066 12.01421 23.74000 
1 1 1    4   22    1 o  151.722   10.218  290.248   38.488  265.274   59.588  308.124   50.415  143.761   16.922  155.876   13.073 -12.11467 21.38368 
1 1 1    4   22    2 o  149.778   14.192  285.223   52.449  346.871   67.229  189.350   83.839  164.816   16.558  118.597   28.634 46.21914 33.07666 
1 1 1    4   22    3 o  105.517   10.816  141.171   28.097  152.517   41.738  131.770   37.995  108.829   15.821  101.059   15.555 7.770752 22.18688 
1 1 1    4   22    4 o  305.550   13.002  1173.78   99.206  1154.10  168.318  1184.25  122.803  300.095   22.627  305.932   16.131 -5.837006 27.78859 
1 1 1    4   22    5 o  228.404   10.870  654.341   62.001  585.314  102.832  693.767   77.716  214.113   19.444  234.546   13.324 -20.43280 23.57133 
1 1 1    4   22    6 o  537.055   20.415  3656.24  273.785  4091.59  473.178  3437.13  335.684  559.816   34.009  517.674   26.050 42.14221 42.83945 
1 1 1    4   22    7 o  295.451   22.572  1115.45  165.275   0.0000   0.0000  1115.45  165.275  ?   ?   295.451   22.572 0.000000 22.57204 
1 1 1    4   22    8 o  369.124   15.051  1714.27  138.733  1853.12  238.446  1643.21  170.578  380.391   25.245  360.090   19.037 20.30118 31.61889 
1 1 1    4   22    9 o  134.665   11.111  228.874   37.031  327.057   60.524  170.128   46.817  160.521   15.283  115.023   16.794 45.49833 22.70737 
1 1 1    4   22   10 o  647.506   23.702  5329.41  383.242  5452.92  662.844  5267.39  469.711  642.150   41.558  640.700   29.358 1.450012 50.88209 
1 1 1    4   22   11 o  168.453   10.719  357.021   44.857  454.770   75.070  302.737   55.943  189.416   16.021  154.503   14.676 34.91386 21.72688 
1 1 1    4   22   12 o  139.739   13.572  247.506   46.763  348.645   63.474  127.452   69.156  165.762   15.515   98.375   27.227 67.38651 31.33683 
1 1 1    4   22   13 o  117.199   10.117  173.329   29.318  230.490   48.371  140.136   36.860  134.635   14.622  104.617   14.499 30.01775 20.59200 
1 1 1    4   22   14 o   92.813   9.9352  109.121   22.669  145.368   37.066   87.460   28.653  106.622   14.280   82.228   14.483 24.39442 20.33898 
1 1 1    4   22   15 o  139.575   9.5702  245.110   33.155  268.127   56.514  233.030   40.941  145.101   15.855  135.741   12.209 9.360321 20.01062 
1 1 1    4   22   16 o  399.465   15.494  2008.59  154.558  2331.88  268.089  1847.65  189.157  426.874   25.262  381.627   19.918 45.24701 32.16954 
1 1 1    4   22   17 o  286.135   21.978  1045.33  155.839   0.0000   0.0000  1045.33  155.839  ?   ?   286.135   21.978 0.000000 21.97782 
1 1 1    4   22   18 o  441.702   16.874  2461.37  186.119  2367.99  322.213  2508.12  228.003  427.366   30.390  444.779   20.528 -17.41284 36.67362 
1 1 1    4   22   19 o   73.691   9.6454   69.196   17.323  107.394   30.954   51.776   20.904   91.367   14.014   62.967   13.685 28.39968 19.58754 
1 1 1    4   22   20 o  498.080   18.677  3141.47  232.307  3374.45  402.680  3025.26  284.406  508.599   31.866  486.848   23.393 21.75122 39.53126 
1 1 1    4   22   21 o  126.729   11.978  203.527   37.457  241.385   51.895  162.354   54.120  137.515   15.375  111.420   20.195 26.09492 25.38143 
1 1 1    4   22   22 f  379.404   15.148  1816.09  143.515  1791.75  248.144  1828.32  175.923  371.865   26.904  379.700   18.554 -7.835114 32.68099 
1 1 1    4   22   23 o  272.272   15.304  938.877  103.631   0.0000   0.0000  938.877  103.631  ?   ?   272.272   15.304 0.000000 15.30382 
1 1 1    4   22   43 o  175.583   18.103  409.747   78.238   0.0000   0.0000  409.747   78.238  ?   ?   175.583   18.103 0.000000 18.10339 
1 1 1    4   23    0 o  115.295   10.636  168.658   30.276  171.591   44.572  166.144   41.254  115.197   15.920  113.560   14.908 1.636818 21.81007 
1 1 1    4   23    1 o  158.711   10.120  317.833   39.899  282.442   62.224  342.543   51.994  148.081   17.144  164.295   12.773 -16.21399 21.37961 
1 1 1    4   23    2 o  174.034   10.367  381.921   44.852  356.598   71.417  398.413   57.636  166.637   17.420  177.253   13.114 -10.61497 21.80457 
1 1 1    4   23    3 o   92.572   13.512  110.286   30.315  107.633   35.199  117.902   59.650   90.897   16.096   93.898   24.997 -3.001160 29.73064 
1 1 1    4   23    4 o  361.337   15.304  1650.08  138.088  1853.91  236.758  1545.00  169.997  378.373   25.201  347.766   19.656 30.60773 31.96022 
1 1 1    4   23    5 o  199.551   10.936  501.582   54.288  516.763   89.407  492.716   68.326  201.087   17.995  197.231   13.963 3.856613 22.77687 
1 1 1    4   23    6 o  135.408   10.956  231.685   36.729  302.960   58.547  185.431   47.165  154.181   15.413  120.110   16.133 34.07162 22.31184 
1 1 1    4   23    7 f   86.878   10.622   96.102   22.564  102.606   33.201   90.519   30.760   88.929   15.515   83.436   15.328 5.493401 21.80963 
1 1 1    4   23    8 o  125.470   17.188  202.574   52.439   0.0000   0.0000  202.574   52.439  ?   ?   125.470   17.188 0.000000 17.18840 
1 1 1    4   23    9 o  203.441   10.805  520.689   54.694  517.879   91.396  522.257   68.266  201.470   18.368  203.318   13.523 -1.848114 22.80910 
1 1 1    4   23   10 o  151.976   10.772  291.158   40.618  400.105   67.139  228.263   51.012  177.542   15.293  133.685   15.572 43.85699 21.82575 
1 1 1    4   23   11 o  274.782   11.558  947.712   79.310  797.976  134.930  1026.75   98.033  249.564   21.872  285.703   13.741 -36.13916 25.82967 
1 1 1    4   23   12 o   89.434   10.594  101.692   23.199  137.964   36.691   77.534   29.944  103.700   14.571   77.007   16.090 26.69251 21.70717 
1 1 1    4   23   13 o   96.176   13.366  118.478   31.232  177.061   41.451   41.544   47.502  117.754   14.396   63.176   23.097 54.57727 27.21665 
1 1 1    4   23   14 o  260.674   11.844  853.103   77.097  858.696  132.460  850.238   94.812  259.311   20.626  259.449   14.694 -0.1378479 25.32511 
1 1 1    4   23   15 o  350.095   14.285  1542.79  124.884  1654.08  216.021  1486.92  153.052  359.036   24.236  342.446   17.960 16.59036 30.16534 
1 1 1    4   23   16 f  318.264   13.333  1273.90  105.964  1373.68  183.417  1223.91  129.821  327.578   22.560  310.867   16.785 16.71121 28.11909 
1 1 1    4   23   17 o  137.643   9.2852  238.479   31.729  339.636   55.426  189.171   38.697  163.729   13.681  121.996   12.898 41.73222 18.80244 
1 1 1    4   23   18 o  152.936   16.967  299.177   63.707   0.0000   0.0000  299.177   63.707  ?   ?   152.936   16.967 0.000000 16.96723 
1 1 1    4   23   19 o  266.580   11.896  892.989   79.194  836.280  137.053  921.414   97.032  255.234   21.709  270.010   14.443 -14.77609 26.07483 
1 1 1    4   23   20 o  314.517   12.921  1244.83  101.485  1481.05  176.335  1127.84  124.097  340.342   20.848  298.135   16.736 42.20743 26.73488 
1 1 1    4   23   21 o  372.660   14.769  1752.57  137.437  1962.47  238.271  1647.92  168.246  389.995   24.592  359.718   18.795 30.27643 30.95177 
1 1 1    4   23   22 o  216.228   14.068  592.102   75.549  837.629  106.212  340.648  107.486  256.674   16.661  159.952   27.926 96.72252 32.51834 
1 1 1    4   23   23 o  175.255   9.9623  386.745   43.419  518.189   74.420  318.913   53.461  202.012   14.857  158.467   13.643 43.54457 20.17047 
1 1 1    4   23   24 o  158.832   10.093  318.006   39.825  410.429   67.255  268.100   49.421  179.566   15.140  145.143   13.801 34.42250 20.48648 
1 1 1    4   23   25 o  288.190   15.529  1053.95  111.345   0.0000   0.0000  1053.95  111.345  ?   ?   288.190   15.529 0.000000 15.52918 
1 1 1    4   24    0 o  205.460   19.516  547.823   98.929   0.0000   0.0000  547.823   98.929  ?   ?   205.460   19.516 0.000000 19.51611 
1 1 1    4   24    1 o  155.913   10.313  307.311   39.927  274.615   61.743  330.810   52.344  145.678   17.311  161.193   13.118 -15.51468 21.71980 
1 1 1    4   24    2 o  202.177   11.202  516.566   56.336  523.142   91.849  512.600   71.329  201.424   18.466  200.635   14.331 0.7886810 23.37454 
1 1 1    4   24    3 o  165.515   11.057  346.423   45.439  393.394   73.133  316.889   57.992  175.016   16.946  157.437   14.929 17.57968 22.58379 
1 1 1    4   24    4 o   95.858   10.293  116.816   24.253  101.475   34.963  131.044   33.671   88.011   16.515  100.945   13.712 -12.93403 21.46572 
1 1 1    4   24    5 o  105.990   12.405  143.460   32.212  118.308   38.154  205.883   60.106   95.216   16.653  125.487   19.841 -30.27128 25.90322 
1 1 1    4   24    6 o  216.086   11.038  588.636   59.361  564.319   98.555  602.480   74.364  209.590   19.038  218.056   13.727 -8.465973 23.47049 
1 1 1    4   24    7 o  189.083   11.090  450.959   52.136  524.633   86.494  408.914   65.341  202.617   17.259  179.313   14.722 23.30400 22.68518 
1 1 1    4   24    8 o  290.550   12.521  1062.85   90.848  1024.23  154.449  1083.28  112.338  281.967   22.112  292.308   15.445 -10.34064 26.97192 
1 1 1    4   24    9 o  163.895   11.285  339.153   45.903  485.452   76.307  256.188   57.463  195.321   15.779  141.316   16.600 54.00426 22.90277 
1 1 1    4   24   10 f  307.977   23.310  1222.78  177.944   0.0000   0.0000  1222.78  177.944  ?   ?   307.977   23.310 0.000000 23.31009 
1 1 1    4   24   11 o  143.326   10.347  259.155   36.783  324.868   60.670  220.963   46.252  159.663   15.408  131.621   14.302 28.04211 21.02296 
1 1 1    4   24   12 f  270.182   11.860  917.646   80.019  843.545  136.705  956.267   98.693  256.213   21.567  274.999   14.422 -18.78659 25.94464 
1 1 1    4   24   13 o  285.925   12.597  1028.54   89.941  1053.50  154.512  1015.76  110.613  286.463   21.762  283.129   15.706 3.334137 26.83810 
1 1 1    4   24   14 f  242.581   14.654  744.939   88.352  896.226  124.100  589.441  125.816  265.020   18.875  213.092   24.065 51.92877 30.58459 
1 1 1    4   24   15 o   87.365   9.9831   96.990   21.389  123.227   35.636   82.216   26.741   97.702   15.092   79.638   13.955 18.06399 20.55542 
1 1 1    4   24   16 o  180.941   10.137  412.117   45.619  503.242   79.152  366.791   55.823  198.879   16.075  170.163   13.241 28.71570 20.82627 
1 1 1    4   24   17 o   99.228   9.6167  124.650   23.530  138.032   40.431  117.796   28.935  103.272   16.212   95.991   12.358 7.280418 20.38468 
1 1 1    4   24   18 o  104.881   9.4113  139.062   24.387  163.535   42.481  127.033   29.783  112.740   15.499   99.760   12.210 12.97929 19.73110 
1 1 1    4   24   19 o  258.951   20.860  861.491  133.748   0.0000   0.0000  861.491  133.748  ?   ?   258.951   20.860 0.000000 20.86024 
1 1 1    4   24   20 o  141.303   9.7375  251.745   34.150  245.008   59.347  255.080   41.756  137.864   17.643  141.904   11.893 -4.039597 21.27738 
1 1 1    4   24   21 o  105.241   9.3019  140.023   24.194  184.721   42.063  117.924   29.577  120.134   14.302   95.951   12.652 24.18283 19.09543 
1 1 1    4   24   22 o  150.478   9.8224  285.466   36.707  327.522   63.138  263.994   45.116  160.036   16.014  144.214   12.656 15.82161 20.41084 
1 1 1    4   24   23 o  144.290   16.906  267.667   59.761  267.667   59.761   0.0000   0.0000  144.290   16.906  ?   ?  0.000000 16.90615 
1 1 1    4   24   24 o  368.413   14.953  1717.01  137.566  1882.21  237.836  1633.95  168.637  380.485   25.174  357.516   18.957 22.96893 31.51322 
1 1 1    4   24   25 o  212.018   10.870  566.678   57.356  763.177   98.132  464.720   70.687  244.824   16.142  191.096   14.931 53.72841 21.98876 
1 1 1    4   24   26 o  276.465   14.916  969.873  102.596   0.0000   0.0000  969.873  102.596  ?   ?   276.465   14.916 0.000000 14.91585 
1 1 1    4   25    0 o  172.469   11.844  377.895   50.701  486.529   81.155  308.351   64.933  194.183   16.905  154.203   17.153 39.98064 24.08319 
1 1 1    4   25    1 o  181.118   10.776  415.199   48.518  394.258   76.668  429.187   62.662  174.428   17.853  183.378   13.785 -8.949844 22.55549 
1 1 1    4   25    2 o  124.951   18.189  204.188   55.089   0.0000   0.0000  204.188   55.089  ?   ?   124.951   18.189 0.000000 18.18911 
1 1 1    4   25    3 o  230.344   10.974  668.941   63.124  587.976  103.773  716.495   79.529  212.844   19.749  237.447   13.468 -24.60286 23.90417 
1 1 1    4   25    4 o  532.700   20.207  3655.02  268.800  3610.15  462.925  3677.84  330.161  511.101   36.511  530.132   24.940 -19.03064 44.21569 
1 1 1    4   25    5 o  287.613   12.929  1045.61   92.860  1068.38  157.276  1033.42  115.056  286.609   22.146  284.489   16.263 2.120087 27.47623 
1 1 1    4   25    6 o   73.220   14.333   70.176   25.269   71.279   28.929   66.625   51.901   73.490   16.200   73.067   24.313 0.4229889 29.21586 
1 1 1    4   25    7 o  272.931   12.454  939.875   84.883  972.885  144.030  922.308  105.069  274.250   21.195  269.111   15.703 5.139557 26.37843 
1 1 1    4   25    8 o  250.913   11.940  793.390   74.813  802.129  126.456  788.683   92.795  249.298   20.494  249.079   14.989 0.2192535 25.39041 
1 1 1    4   25    9 f  248.454   12.310  778.109   76.376  981.646  129.933  670.656   94.407  276.687   18.919  229.208   16.607 47.47925 25.17334 
1 1 1    4   25   10 o  289.196   13.185  1055.37   95.222  1281.05  163.278  939.053  117.220  315.509   20.841  271.212   17.400 44.29602 27.14951 
1 1 1    4   25   11 o  506.304   35.110  3449.28  441.163   0.0000   0.0000  3449.28  441.163  ?   ?   506.304   35.110 0.000000 35.10980 
1 1 1    4   25   12 o   88.505   10.916   99.948   23.614  175.958   37.787   51.240   30.248  117.413   13.111   62.789   18.221 54.62416 22.44810 
1 1 1    4   25   13 o  175.879   10.470  390.046   45.778  447.761   77.574  359.208   56.704  187.132   16.779  168.176   13.619 18.95532 21.61021 
1 1 1    4   25   14 o  102.586   9.6252  133.247   24.369  119.407   39.998  141.416   30.731   95.544   17.405  105.342   11.890 -9.797699 21.07909 
1 1 1    4   25   15 o  119.044   9.6001  179.022   28.296  218.081   48.147  158.413   34.974  130.478   15.053  111.400   12.805 19.07796 19.76243 
1 1 1    4   25   16 f  258.242   14.605  845.553   93.795  1023.83  132.705  667.591  132.589  282.847   18.897  226.418   23.807 56.42950 30.39496 
1 1 1    4   25   17 o  320.763   13.434  1298.21  107.607  1430.47  186.708  1232.43  131.676  332.848   22.597  311.112   17.013 21.73566 28.28540 
1 1 1    4   25   18 o  116.298   9.1770  170.756   26.435  330.305   46.768   95.849   32.045  161.588   11.669   85.735   15.540 75.85353 19.43312 
1 1 1    4   25   19 o  230.487   11.061  668.161   63.666  769.903  110.785  617.991   77.795  245.259   18.219  220.710   14.190 24.54956 23.09288 
1 1 1    4   25   20 o  199.386   10.499  501.046   52.090  585.695   90.613  459.266   63.660  214.050   17.095  190.281   13.485 23.76938 21.77318 
1 1 1    4   25   21 o  110.947   16.633  159.563   44.663   0.0000   0.0000  159.563   44.663  ?   ?   110.947   16.633 0.000000 16.63326 
1 1 1    4   25   22 o  182.526   18.057  428.236   81.223  428.236   81.223   0.0000   0.0000  182.526   18.057  ?   ?  0.000000 18.05666 
1 1 1    4   25   23 o  164.713   10.120  342.175   41.422  390.161   71.211  317.635   50.924  174.546   16.535  158.146   13.010 16.40051 21.03938 
1 1 1    4   25   24 o  291.257   12.363  1069.39   89.919  1160.04  155.017  1023.43  110.388  300.075   20.816  283.706   15.642 16.36862 26.03762 
1 1 1    4   25   25 o  177.801   12.982  400.995   57.241  422.505   78.065  375.982   84.184  181.420   17.447  170.242   20.196 11.17838 26.68815 
1 1 1    4   25   26 o  257.628   12.034  836.394   77.423  888.376  132.475  809.429   95.414  262.555   20.365  252.313   15.214 10.24188 25.42035 
1 1 1    4   25   27 o  271.606   14.712  936.496   99.415   0.0000   0.0000  936.496   99.415  ?   ?   271.606   14.712 0.000000 14.71240 
1 1 1    4   26    0 o  103.144   11.857  136.429   29.986  166.031   42.717  107.674   42.101  112.950   15.558   89.560   19.387 23.38986 24.85758 
1 1 1    4   26    1 o  169.863   10.979  365.998   46.323  375.315   72.660  359.618   60.127  170.071   17.352  167.391   14.528 2.680054 22.63067 
1 1 1    4   26    2 o  526.516   20.373  3597.62  267.867  3689.94  460.917  3550.53  329.160  511.755   36.303  517.573   25.467 -5.817963 44.34485 
1 1 1    4   26    3 o  200.722   19.444  524.722   96.239   0.0000   0.0000  524.722   96.239  ?   ?   200.722   19.444 0.000000 19.44400 
1 1 1    4   26    4 o  311.724   13.648  1233.19  106.244  1264.98  180.319  1216.28  131.492  310.112   23.458  307.692   17.182 2.420044 29.07759 
1 1 1    4   26    5 o  265.927   12.749  895.165   84.664  1029.75  143.044  822.596  105.038  281.538   20.487  253.177   16.708 28.36147 26.43580 
1 1 1    4   26    6 o  172.450   10.463  375.992   44.845  366.576   72.538  381.817   57.055  168.403   17.505  173.131   13.298 -4.728271 21.98324 
1 1 1    4   26    7 o  116.760   10.223  172.909   29.507  166.670   45.030  177.604   39.062  113.239   16.402  117.672   13.540 -4.433014 21.26845 
1 1 1    4   26    8 o  122.460   12.615  191.458   38.025  186.816   47.676  199.574   63.037  120.068   16.324  122.705   21.348 -2.637512 26.87379 
1 1 1    4   26    9 o  332.590   13.996  1401.29  116.244  1421.54  199.021  1390.80  143.212  329.435   24.365  329.599   17.462 -0.1642456 29.97634 
1 1 1    4   26   10 o  198.316   11.410  497.286   56.268  681.105   94.970  397.857   69.847  230.708   16.595  176.182   16.052 54.52652 23.08836 
1 1 1    4   26   11 o   80.150   11.342   82.497   22.066  120.749   34.016   54.704   28.995   96.592   14.554   64.439   17.546 32.15329 22.79642 
1 1 1    4   26   12 o  270.940   12.214  926.054   82.640  904.799  141.156  937.139  101.936  264.166   21.587  271.425   15.099 -7.259216 26.34313 
1 1 1    4   26   13 o  217.444   19.367  609.850  104.063   0.0000   0.0000  609.850  104.063  ?   ?   217.444   19.367 0.000000 19.36724 
1 1 1    4   26   14 o  288.856   12.777  1053.28   92.167  1107.83  158.846  1025.59  113.165  292.429   21.912  283.719   16.038 8.710175 27.15401 
1 1 1    4   26   15 o   90.850   10.207  105.053   22.757  189.123   38.831   61.074   28.085  121.723   12.975   67.983   16.671 53.73979 21.12507 
1 1 1    4   26   16 o  139.961   9.7915  247.329   34.006  366.145   59.149  188.664   41.562  169.564   14.097  121.368   13.968 48.19532 19.84501 
1 1 1    4   26   17 o  160.675   12.401  327.514   49.373  388.444   69.873  266.752   69.776  174.142   16.256  142.978   20.098 31.16414 25.84879 
1 1 1    4   26   18 o  154.245   9.5724  299.994   36.689  464.515   64.922  222.799   44.471  191.223   13.686  132.082   13.681 59.14154 19.35161 
1 1 1    4   26   19 o  118.816   9.4787  178.428   27.890  258.904   49.360  140.686   33.803  142.400   14.065  104.743   13.218 37.65745 19.30076 
1 1 1    4   26   20 o  121.328   12.051  187.345   36.029   0.0000   0.0000  187.345   36.029  ?   ?   121.328   12.051 0.000000 12.05115 
1 1 1    4   26   21 o  251.930   11.894  799.937   74.828  935.623  129.565  732.028   91.661  269.748   19.363  239.777   15.390 29.97142 24.73401 
1 1 1    4   26   22 o  151.228   16.877  294.368   62.648   0.0000   0.0000  294.368   62.648  ?   ?   151.228   16.877 0.000000 16.87694 
1 1 1    4   26   23 o  184.875   10.260  431.063   47.182  483.782   80.872  403.860   58.093  194.316   16.833  178.352   13.136 15.96460 21.35156 
1 1 1    4   26   24 o   91.624   10.478  106.937   23.543  159.152   39.382   77.897   29.369  111.214   14.527   76.986   15.806 34.22741 21.46806 
1 1 1    4   26   25 o  107.349   9.7663  145.981   25.894  178.977   43.046  127.271   32.415  117.944   14.951   99.502   13.385 18.44196 20.06705 
1 1 1    4   26   26 o  238.649   14.200  723.226   84.245  716.946  116.395  730.134  122.090  235.703   19.963  237.552   20.791 -1.849518 28.82275 
1 1 1    4   26   27 o  153.980   10.404  299.529   39.772  468.025   66.191  204.320   49.756  191.877   13.909  125.831   16.212 66.04652 21.36034 
1 1 1    4   26   28 o   54.452   14.280   38.894   19.658   0.0000   0.0000   38.894   19.658  ?   ?    54.452   14.280 0.000000 14.28046 
1 1 1    4   27    0 o  265.467   16.852  911.132  111.139  1015.50  149.242  781.194  166.521  277.243   21.731  238.278   28.554 38.96512 35.88274 
1 1 1    4   27    1 o  157.326   10.888  314.446   42.514  303.365   65.153  322.663   56.104  152.497   17.422  158.396   14.339 -5.898849 22.56396 
1 1 1    4   27    2 o  165.616   11.335  348.635   46.596  394.179   73.461  317.976   60.272  174.271   17.101  156.884   15.591 17.38667 23.14115 
1 1 1    4   27    3 o  375.957   15.267  1806.46  143.329  1748.30  244.161  1837.04  177.043  359.988   27.365  376.881   18.812 -16.89313 33.20750 
1 1 1    4   27    4 o  183.284   12.944  428.334   58.864  457.446   81.718  396.938   84.863  187.820   17.629  173.964   19.893 13.85606 26.58021 
1 1 1    4   27    5 o  152.193   13.810  296.713   51.914   0.0000   0.0000  296.713   51.914  ?   ?   152.193   13.810 0.000000 13.80992 
1 1 1    4   27    6 o  112.654   10.391  161.344   28.902  146.195   43.317  173.501   38.803  105.590   17.005  116.138   13.639 -10.54817 21.79937 
1 1 1    4   27    7 o  160.399   10.685  325.893   42.554  339.740   68.684  317.266   54.212  161.981   17.245  157.466   13.930 4.515320 22.16881 
1 1 1    4   27    8 o  128.510   10.687  209.630   33.986  253.240   53.960  180.954   43.755  140.114   15.691  118.309   15.159 21.80473 21.81750 
1 1 1    4   27    9 o  159.288   12.235  322.604   48.294  277.957   62.592  388.284   75.918  146.380   17.468  173.211   17.805 -26.83144 24.94315 
1 1 1    4   27   10 o  158.125   10.406  316.292   40.859  349.814   67.211  296.640   51.460  164.766   16.559  152.388   13.668 12.37761 21.47163 
1 1 1    4   27   11 o  150.424   10.294  286.223   38.436  316.724   63.453  268.544   48.308  156.773   16.453  145.001   13.496 11.77194 21.28053 
1 1 1    4   27   12 o  104.519   10.620  138.987   27.333  214.445   44.332   92.714   34.716  129.354   13.945   83.754   17.175 45.59957 22.12330 
1 1 1    4   27   13 o  142.984   10.021  258.476   35.553  285.209   59.409  243.560   44.377  148.799   16.253  138.179   13.014 10.62062 20.82085 
1 1 1    4   27   14 o  284.978   22.450  1058.51  158.473   0.0000   0.0000  1058.51  158.473  ?   ?   284.978   22.450 0.000000 22.45039 
1 1 1    4   27   15 o   95.198   10.306  115.357   24.109  151.683   40.712   95.737   29.919  108.211   15.509   85.769   14.485 22.44191 21.22180 
1 1 1    4   27   16 o  285.220   12.651  1027.79   90.106  988.322  155.779  1047.64  110.460  275.219   22.874  286.730   15.484 -11.51120 27.62183 
1 1 1    4   27   17 o  212.267   10.928  568.979   57.728  693.401  100.690  508.057   70.457  232.452   17.474  199.758   14.217 32.69417 22.52711 
1 1 1    4   27   18 o   82.913   10.473   87.860   21.201  157.443   38.733   58.095   25.333  110.580   14.366   66.330   15.562 44.25048 21.17949 
1 1 1    4   27   19 o  136.951   12.120  238.466   41.021  305.845   59.123  175.923   56.962  154.423   15.543  115.372   20.523 39.05172 25.74478 
1 1 1    4   27   20 o  107.998   9.8765  147.855   26.341  169.975   46.365  137.312   32.009  114.397   16.724  103.530   12.644 10.86674 20.96563 
1 1 1    4   27   21 o   72.495   11.378   67.784   19.919  140.850   34.836   32.291   24.280  104.663   13.654   51.127   16.611 53.53602 21.50282 
1 1 1    4   27   22 o  186.966   10.401  441.182   48.370  547.876   83.847  387.962   59.218  206.886   16.363  174.586   13.693 32.30011 21.33626 
1 1 1    4   27   23 o  188.560   18.048  458.127   83.942   0.0000   0.0000  458.127   83.942  ?   ?   188.560   18.048 0.000000 18.04764 
1 1 1    4   27   24 o  113.776   10.034  164.028   28.216  211.622   47.824  138.614   34.947  128.275   15.227  103.782   13.829 24.49312 20.56931 
1 1 1    4   27   25 o   83.610   10.159   89.190   20.776  103.261   34.195   80.957   26.157   88.844   16.001   78.887   13.779 9.956772 21.11655 
1 1 1    4   27   26 o  165.060   10.233  343.992   41.970  393.122   70.494  317.014   52.238  175.079   16.312  157.796   13.383 17.28293 21.09903 
1 1 1    4   27   27 o  149.669   13.389  285.427   49.513  320.483   64.751  236.067   76.834  157.830   16.682  132.987   24.020 24.84264 29.24459 
1 1 1    4   27   28 o  183.678   10.564  425.974   48.251  482.056   80.344  394.335   60.346  193.874   16.760  175.992   13.843 17.88225 21.73755 
1 1 1    4   27   29 o  164.266   11.762  341.955   47.929   0.0000   0.0000  341.955   47.929  ?   ?   164.266   11.762 0.000000 11.76211 
1 1 1    4   28    0 o  585.241   23.259  4560.56  339.914  4994.30  585.765  4340.35  417.375  575.110   41.057  558.945   30.012 16.16571 50.85662 
1 1 1    4   28    1 o  124.998   15.730  203.642   48.013  266.255   57.712   62.881   86.531  142.900   16.474   78.310   30.583 64.59000 34.73794 
1 1 1    4   28    2 o  170.003   10.877  367.163   45.935  346.172   71.217  382.117   60.109  162.720   17.818  172.461   14.080 -9.741638 22.70941 
1 1 1    4   28    3 f  109.379   10.712  152.665   28.882  122.795   41.312  181.223   40.395   96.084   17.876  118.450   13.922 -22.36577 22.65757 
1 1 1    4   28    4 o  147.876   10.432  277.553   38.275  241.633   58.565  304.336   50.569  135.824   17.686  154.132   13.268 -18.30786 22.10965 
1 1 1    4   28    5 o   79.471   12.094   81.794   23.244   89.359   32.479   73.852   33.279   82.090   16.417   74.217   18.115 7.873573 24.44747 
1 1 1    4   28    6 o  172.061   18.536  386.424   78.386   0.0000   0.0000  386.424   78.386  ?   ?   172.061   18.536 0.000000 18.53588 
1 1 1    4   28    7 o  244.595   12.226  757.989   74.679  843.374  125.552  711.242   92.899  254.280   19.932  235.260   15.906 19.02081 25.50110 
1 1 1    4   28    8 o   67.773   12.751   60.069   20.787   79.172   29.862   42.110   28.955   77.339   15.990   57.402   18.088 19.93673 24.14281 
1 1 1    4   28    9 o  160.452   10.570  326.159   42.113  343.385   68.607  315.744   53.346  162.799   17.133  157.077   13.738 5.722000 21.96081 
1 1 1    4   28   10 o  191.775   11.145  465.904   53.143  531.652   88.649  429.023   66.395  202.781   17.683  183.036   14.649 19.74489 22.96285 
1 1 1    4   28   11 o  308.413   13.513  1206.93  104.070  1275.96  178.187  1171.19  128.209  311.659   23.059  301.936   17.074 9.723785 28.69219 
1 1 1    4   28   12 o  400.190   16.077  2044.62  160.667  2175.06  277.107  1978.56  197.197  403.385   27.677  390.674   20.283 12.71133 34.31307 
1 1 1    4   28   13 o  196.568   10.917  488.804   53.377  525.094   90.726  469.593   66.010  201.484   18.229  191.889   13.869 9.594635 22.90521 
1 1 1    4   28   14 o  248.926   11.935  782.917   74.188  1038.19  128.256  654.557   90.947  283.914   18.186  225.939   16.228 57.97551 24.37317 
1 1 1    4   28   15 o  108.103   10.279  148.477   27.415  242.973   47.151  100.216   33.696  137.740   13.898   87.373   16.035 50.36683 21.21968 
1 1 1    4   28   16 o  165.652   17.806  355.145   72.500   0.0000   0.0000  355.145   72.500  ?   ?   165.652   17.806 0.000000 17.80576 
1 1 1    4   28   17 o   78.362   11.083   78.912   21.083  129.237   38.361   57.134   25.236   99.555   15.971   65.720   15.609 33.83514 22.33146 
1 1 1    4   28   18 o  334.632   13.948  1419.76  116.553  1541.63  202.632  1359.50  142.482  343.036   23.802  325.556   17.591 17.47949 29.59709 
1 1 1    4   28   19 o   83.794   10.464   89.760   21.418  202.214   42.661   51.865   24.765  125.595   13.831   62.639   15.826 62.95630 21.01860 
1 1 1    4   28   20 o   75.731   19.279   76.461   36.554   76.461   36.554   0.0000   0.0000   75.731   19.279  ?   ?  0.000000 19.27889 
1 1 1    4   28   21 o  268.362   11.996  909.231   80.390  1144.29  139.934  793.442   98.214  298.089   18.896  249.193   15.865 48.89571 24.67368 
1 1 1    4   28   22 o  174.229   10.300  383.412   44.613  445.654   77.156  352.150   54.681  186.217   16.772  166.308   13.277 19.90840 21.39133 
1 1 1    4   28   23 o  267.012   12.424  900.674   82.841  965.304  143.044  868.059  101.616  272.686   21.173  260.793   15.676 11.89297 26.34428 
1 1 1    4   28   24 o  155.277   10.362  304.813   39.948  339.492   67.860  286.422   49.419  162.301   16.995  149.881   13.343 12.41937 21.60757 
1 1 1    4   28   25 f  205.034   12.908  533.515   65.754  584.573   94.551  485.693   91.505  213.104   17.934  193.693   19.170 19.41100 26.25112 
1 1 1    4   28   26 o  327.976   13.298  1361.01  108.910  1507.78  187.468  1286.25  133.805  340.606   22.161  317.114   16.958 23.49191 27.90537 
1 1 1    4   28   27 o  145.825   9.9607  268.722   36.055  301.311   59.000  249.297   45.550  153.182   15.644  139.786   13.205 13.39610 20.47198 
1 1 1    4   28   28 o  297.453   16.294  1130.23  120.574  1143.96  166.962  1115.25  174.310  296.137   22.751  291.589   24.156 4.547241 33.18355 
1 1 1    4   28   29 o   88.150   11.672   99.690   25.061  205.901   38.298   20.150   33.142  127.122   12.215   48.924   18.977 78.19817 22.56815 
1 1 1    4   28   30 o   96.964   13.109  121.035   30.929   0.0000   0.0000  121.035   30.929  ?   ?    96.964   13.109 0.000000 13.10932 
1 1 1    4   29    0 o   77.325   13.832   78.747   25.728   76.985   33.763   81.187   39.731   75.401   18.150   77.082   20.344 -1.680840 27.26338 
1 1 1    4   29    1 o  254.214   12.674  823.929   80.456  847.438  131.764  809.954  101.595  252.523   21.088  249.853   16.374 2.670258 26.69843 
1 1 1    4   29    2 o  185.568   11.673  438.979   53.817  454.513   84.514  428.384   69.798  186.053   18.433  181.884   15.516 4.169022 24.09372 
1 1 1    4   29    3 o  238.908   16.009  737.828   94.960  827.291  126.917  624.054  143.126  250.392   20.477  212.659   27.603 37.73367 34.36865 
1 1 1    4   29    4 o   48.794   14.391   30.976   18.732   28.560   23.858   34.859   30.247   48.621   16.485   53.865   18.556 -5.243938 24.82094 
1 1 1    4   29    5 o   56.159   14.184   41.816   19.897   42.367   26.040   41.044   30.842   56.909   17.011   57.094   18.730 -0.1852112 25.30232 
1 1 1    4   29    6 o  184.292   10.825  430.979   49.598  407.216   79.704  445.996   63.360  176.494   18.353  186.602   13.693 -10.10855 22.89784 
1 1 1    4   29    7 o  193.075   13.151  476.174   63.031  494.281   87.955  457.057   90.373  194.721   18.303  186.568   19.695 8.153244 26.88708 
1 1 1    4   29    8 o  179.428   14.283  412.985   63.465   0.0000   0.0000  412.985   63.465  ?   ?   179.428   14.283 0.000000 14.28253 
1 1 1    4   29    9 o  141.765   10.650  255.220   37.427  288.616   60.143  234.112   47.814  149.173   16.417  134.786   14.430 14.38724 21.85707 
1 1 1    4   29   10 o  115.358   10.739  169.462   30.579  194.774   48.452  152.706   39.422  122.311   16.267  108.439   14.956 13.87137 22.09735 
1 1 1    4   29   11 o  351.721   14.397  1575.79  126.453  1516.80  216.806  1606.20  155.675  336.843   25.975  353.350   17.643 -16.50708 31.40015 
1 1 1    4   29   12 o  233.822   14.273  698.310   82.942  691.962  114.535  705.309  120.270  230.238   20.123  232.029   20.984 -1.790207 29.07362 
1 1 1    4   29   13 o   90.803   11.036  105.594   24.509  128.426   39.892   91.751   31.063   98.870   16.756   83.546   15.458 15.32409 22.79737 
1 1 1    4   29   14 o  201.478   11.048  513.994   55.376  594.374   94.875  472.461   68.198  214.388   17.885  192.229   14.309 22.15872 22.90469 
1 1 1    4   29   15 o  159.396   10.298  321.547   40.770  443.757   70.256  259.497   50.061  186.000   15.260  142.189   14.293 43.81149 20.90820 
1 1 1    4   29   16 o  247.907   11.899  776.964   73.661  951.935  128.074  690.474   90.045  271.207   19.031  232.178   15.621 39.02924 24.62147 
1 1 1    4   29   17 o  268.144   21.776  940.099  144.554   0.0000   0.0000  940.099  144.554  ?   ?   268.144   21.776 0.000000 21.77604 
1 1 1    4   29   18 o  248.981   14.724  791.015   91.140   0.0000   0.0000  791.015   91.140  ?   ?   248.981   14.724 0.000000 14.72397 
1 1 1    4   29   19 o  240.088   20.872  751.210  123.894  751.210  123.894   0.0000   0.0000  240.088   20.872  ?   ?  0.000000 20.87241 
1 1 1    4   29   20 o  213.995   10.782  578.757   57.431  761.245  101.159  491.965   69.764  243.545   16.735  196.322   14.329 47.22241 22.03116 
1 1 1    4   29   21 o  171.726   13.048  375.449   55.537  379.368   77.377  371.285   79.761  171.026   18.407  168.881   19.257 2.144806 26.63960 
1 1 1    4   29   22 o  232.773   11.502  683.863   66.857  797.534  115.905  627.183   81.846  248.505   18.817  221.651   14.873 26.85406 23.98516 
1 1 1    4   29   23 o  358.200   14.656  1630.05  131.100  1878.97  227.177  1505.77  160.527  378.372   24.170  341.871   18.877 36.50098 30.66744 
1 1 1    4   29   24 o  149.716   10.509  283.721   39.042  332.722   66.432  257.868   48.254  160.599   16.814  141.986   13.783 18.61302 21.74133 
1 1 1    4   29   25 o  133.378   10.162  225.240   33.590  263.986   56.931  204.548   41.604  143.035   16.226  126.406   13.384 16.62861 21.03326 
1 1 1    4   29   26 o  244.984   20.490  779.608  124.202   0.0000   0.0000  779.608  124.202  ?   ?   244.984   20.490 0.000000 20.49014 
1 1 1    4   29   27 o  128.899   10.312  210.547   32.913  223.828   53.476  202.448   41.760  131.439   16.667  125.713   13.515 5.725929 21.45761 
1 1 1    4   29   28 o  179.186   10.694  406.048   47.631  470.663   78.844  368.912   59.771  191.311   16.670  169.924   14.217 21.38718 21.90898 
1 1 1    4   29   29 o  227.423   14.950  660.428   84.430  709.312  113.455  599.758  126.394  233.903   19.605  212.889   24.205 21.01370 31.14888 
1 1 1    4   29   30 o  194.581   11.659  479.836   56.391  628.900   93.323  394.109   70.772  221.119   17.032  174.968   16.389 46.15092 23.63630 
1 1 1    4   29   31 o   85.592   13.598   95.129   28.092   0.0000   0.0000   95.129   28.092  ?   ?    85.592   13.598 0.000000 13.59788 
1 1 1    4   30    0 o  339.812   27.259  1616.07  229.362   0.0000   0.0000  1616.07  229.362  ?   ?   339.812   27.259 0.000000 27.25854 
1 1 1    4   30    1 f  355.745   14.703  1630.90  130.619  1486.48  218.995  1710.65  162.735  326.945   27.066  361.520   18.026 -34.57559 32.51965 
1 1 1    4   30    2 o  114.362   12.382  168.657   34.796  207.696   50.321  132.887   48.168  125.653   16.431   98.773   20.210 26.88017 26.04591 
1 1 1    4   30    3 o  186.712   11.492  444.664   53.322  442.489   83.756  446.146   69.144  183.206   18.564  185.642   15.045 -2.435608 23.89450 
1 1 1    4   30    4 o  239.204   14.565  736.685   86.587  672.127  113.713  825.766  133.576  225.176   20.445  248.851   21.713 -23.67458 29.82365 
1 1 1    4   30    5 o  287.505   13.259  1054.92   95.192  1126.27  159.551  1015.48  118.617  290.813   22.136  279.638   17.068 11.17499 27.95253 
1 1 1    4   30    6 o  143.042   12.218  261.897   43.224  423.490   68.623  155.617   55.652  181.007   15.326  106.980   21.576 74.02705 26.46538 
1 1 1    4   30    7 o  306.584   13.490  1198.76  103.280  1168.03  174.681  1215.28  128.062  295.314   23.892  306.515   16.795 -11.20096 29.20411 
1 1 1    4   30    8 o  316.633   13.770  1278.94  108.882  1266.06  185.166  1285.74  134.614  307.440   24.317  315.209   17.166 -7.769409 29.76581 
1 1 1    4   30    9 o  192.497   19.207  485.769   91.093   0.0000   0.0000  485.769   91.093  ?   ?   192.497   19.207 0.000000 19.20651 
1 1 1    4   30   10 o  204.058   11.016  528.215   55.926  519.457   92.972  533.181   70.009  199.358   18.901  204.107   13.817 -4.748550 23.41289 
1 1 1    4   30   11 o  300.840   13.363  1151.37  100.390  1197.78  171.763  1127.29  123.722  300.659   23.053  295.644   16.828 5.015167 28.54137 
1 1 1    4   30   12 o  171.977   14.648  379.998   62.306  625.084   85.762  106.048   90.672  220.452   15.681   90.781   32.070 129.6713 35.69845 
1 1 1    4   30   13 o  147.313   13.206  277.812   48.065  313.268   65.055  235.193   71.324  155.283   17.058  132.389   22.371 22.89395 28.13269 
1 1 1    4   30   14 o  248.065   12.057  779.394   74.690  926.547  128.643  704.566   91.736  266.837   19.440  234.188   15.778 32.64859 25.03703 
1 1 1    4   30   15 o  333.546   14.087  1415.85  117.337  1709.11  203.435  1269.66  143.638  360.451   22.717  313.264   18.443 47.18643 29.26107 
1 1 1    4   30   16 o   78.671   12.213   80.142   23.215  142.608   41.899   52.468   27.888  104.312   16.644   62.925   17.238 41.38738 23.96237 
1 1 1    4   30   17 o  240.373   14.686  738.575   87.729   0.0000   0.0000  738.575   87.729  ?   ?   240.373   14.686 0.000000 14.68575 
1 1 1    4   30   19 o  200.731   10.731  509.771   53.595  699.141   95.143  421.748   64.866  233.241   16.440  181.535   14.428 51.70668 21.87338 
1 1 1    4   30   20 o  147.798   10.072  276.476   36.953  434.681   66.587  206.069   44.420  184.285   14.588  126.548   14.308 57.73759 20.43376 
1 1 1    4   30   21 o  318.953   13.727  1291.51  109.330  1363.27  189.977  1255.97  133.687  321.659   23.821  312.640   17.190 9.018494 29.37522 
1 1 1    4   30   22 o  258.960   11.951  847.868   77.283  999.661  134.289  772.698   94.502  277.723   19.487  245.726   15.480 31.99689 24.88669 
1 1 1    4   30   23 o  231.721   14.655  685.622   84.364  775.267  117.911  591.594  120.758  244.447   19.478  211.632   23.232 32.81453 30.31673 
1 1 1    4   30   24 o  267.884   12.429  908.118   83.144  1046.30  143.362  838.082  102.062  283.727   20.370  255.740   16.063 27.98666 25.94114 
1 1 1    4   30   25 o  103.322   10.461  135.904   26.619  206.432   45.939  100.255   32.660  126.561   14.816   87.464   15.522 39.09689 21.45800 
1 1 1    4   30   26 o  113.371   10.914  163.603   30.516  193.668   50.194  145.974   38.435  121.945   16.941  106.121   14.915 15.82375 22.57093 
1 1 1    4   30   27 o  141.405   17.205  259.611   59.501   0.0000   0.0000  259.611   59.501  ?   ?   141.405   17.205 0.000000 17.20476 
1 1 1    4   30   28 o  228.092   10.753  656.289   61.250  773.705  102.563  591.201   76.362  245.311   16.845  215.200   14.291 30.11053 22.09023 
1 1 1    4   30   29 f  175.317   10.604  389.070   46.206  487.279   74.607  327.965   58.850  194.869   15.459  159.805   14.920 35.06371 21.48400 
1 1 1    4   30   30 o  108.848   14.687  153.472   38.902  173.909   45.788  100.436   73.762  115.528   16.326   87.400   28.980 28.12766 33.26254 
1 1 1    4   30   31 f  192.780   11.988  472.319   57.425  705.960   94.505  335.557   72.304  234.238   16.257  160.350   18.389 73.88762 24.54520 
1 1 1    4   30   32 o   63.288   15.508   53.248   24.317   0.0000   0.0000   53.248   24.317  ?   ?    63.288   15.508 0.000000 15.50802 
1 1 1    4   31    0 o  197.898   12.059  504.029   59.308  501.549   91.273  505.841   78.024  193.114   19.181  196.015   16.082 -2.900574 25.03036 
1 1 1    4   31    1 o  143.491   13.115  266.776   46.475  248.727   62.158  289.658   69.988  135.968   18.811  146.438   19.633 -10.47023 27.19025 
1 1 1    4   31    2 o  130.150   11.449  217.585   36.832  178.234   52.770  254.963   51.431  114.848   19.069  139.646   14.982 -24.79797 24.25050 
1 1 1    4   31    3 o   46.142   15.476   26.206   21.023   21.849   26.404   33.753   34.749   45.943   17.144   54.419   19.777 -8.475792 26.17290 
1 1 1    4   31    4 o  140.921   11.561  254.435   40.326  254.822   60.400  254.123   54.167  138.657   17.859  139.306   15.853 -0.6491852 23.88056 
1 1 1    4   31    5 o  263.737   12.756  888.494   84.011  913.991  138.724  873.727  105.571  261.482   21.433  259.186   16.396 2.296204 26.98533 
1 1 1    4   31    6 o  107.779   11.950  149.555   31.622  149.994   45.484  149.143   43.994  106.081   17.801  105.980   17.214 0.1001587 24.76243 
1 1 1    4   31    7 o  202.551   11.539  522.809   58.125  527.809   94.415  519.758   73.760  200.070   19.131  200.652   14.826 -0.5818634 24.20311 
1 1 1    4   31    8 o  126.604   11.600  205.159   36.268  276.387   56.433  155.039   47.338  145.736   15.757  107.883   18.220 37.85235 24.08884 
1 1 1    4   31    9 o  109.282   11.517  153.134   30.957  192.744   47.675  124.257   40.706  121.362   16.130   96.614   17.517 24.74763 23.81243 
1 1 1    4   31   10 o  259.967   14.952  868.972   96.660  819.457  135.999  919.518  137.406  248.187   22.177  263.790   21.034 -15.60332 30.56561 
1 1 1    4   31   11 o  108.393   14.967  153.099   39.431   0.0000   0.0000  153.099   39.431  ?   ?   108.393   14.967 0.000000 14.96678 
1 1 1    4   31   12 o  258.272   12.636  847.923   81.497  1068.95  139.804  734.152  100.302  285.789   19.710  238.083   16.982 47.70540 26.01686 
1 1 1    4   31   13 o  385.685   15.849  1908.90  152.642  2062.46  263.530  1831.36  187.252  390.034   27.228  374.235   20.111 15.79834 33.84943 
1 1 1    4   31   14 o  168.736   10.631  361.209   44.565  296.084   75.404  396.168   55.246  149.321   20.786  176.181   12.641 -26.86082 24.32778 
1 1 1    4   31   15 o  315.867   17.030  1287.36  133.831  1584.24  189.193  990.013  189.339  346.873   21.955  269.038   28.622 77.83511 36.07244 
1 1 1    4   31   16 o  173.428   13.754  385.169   59.076   0.0000   0.0000  385.169   59.076  ?   ?   173.428   13.754 0.000000 13.75354 
1 1 1    4   31   17 o  224.149   11.890  638.088   66.315  705.323  114.812  604.426   81.237  232.231   19.993  217.026   15.083 15.20474 25.04430 
1 1 1    4   31   18 o  156.678   10.832  311.541   42.120  307.222   75.338  313.504   50.801  152.578   20.275  156.590   13.112 -4.011917 24.14536 
1 1 1    4   31   19 o  342.463   14.308  1494.08  122.362  1667.05  213.324  1409.27  149.379  354.529   24.241  330.135   18.190 24.39423 30.30661 
1 1 1    4   31   20 o  219.909   19.852  631.551  107.844   0.0000   0.0000  631.551  107.844  ?   ?   219.909   19.852 0.000000 19.85227 
1 1 1    4   31   21 o  160.219   10.713  325.480   42.616  355.551   75.720  311.539   51.557  165.027   18.704  156.073   13.357 8.953201 22.98413 
1 1 1    4   31   22 o   81.672   12.524   86.400   24.727  137.674   45.672   65.139   29.410  101.865   18.642   69.907   17.009 31.95815 25.23522 
1 1 1    4   31   23 o   96.528   11.658  119.490   27.532  113.353   47.301  122.635   33.858   91.631   21.107   97.160   14.390 -5.529152 25.54527 
1 1 1    4   31   24 o   74.056   17.507   73.192   31.866   73.057   39.342   73.448   54.334   73.879   20.567   75.525   24.865 -1.645897 32.26867 
1 1 1    4   31   25 o  109.553   11.386  153.278   30.694  209.888   51.347  121.802   38.288  127.008   16.585   96.266   16.522 30.74250 23.41060 
1 1 1    4   31   26 o  201.768   11.089  515.807   55.658  635.896   94.765  452.569   68.768  221.918   17.236  187.879   14.777 34.03850 22.70274 
1 1 1    4   31   27 o  287.789   13.371  1052.11   96.095  1333.01  164.847  907.531  118.267  319.509   20.774  264.908   17.985 54.60129 27.47704 
1 1 1    4   31   28 o  292.608   23.102  1131.54  167.430   0.0000   0.0000  1131.54  167.430  ?   ?   292.608   23.102 0.000000 23.10170 
1 1 1    4   31   29 o  201.442   11.009  514.433   55.172  641.462   90.660  439.718   69.529  223.055   16.391  184.907   15.192 38.14795 22.34882 
1 1 1    4   31   30 o  156.351   10.671  310.322   41.414  375.640   65.659  267.169   53.368  170.594   15.585  143.810   15.086 26.78389 21.69014 
1 1 1    4   31   31 o  115.214   13.926  171.648   39.254  163.400   45.276  196.615   78.772  111.522   16.777  118.565   27.185 -7.042847 31.94536 
1 1 1    4   31   32 o  119.191   12.237  182.374   35.904  322.644   55.441   81.050   47.120  158.251   14.180   77.317   22.830 80.93354 26.87486 
1 1 1    4   31   33 o   73.652   23.410   72.420   48.418   0.0000   0.0000   72.420   48.418  ?   ?    73.652   23.410 0.000000 23.41022 
1 1 1    4   32    0 o  172.381   11.267  383.713   48.236  287.910   70.738  466.974   65.946  144.008   20.228  188.516   14.111 -44.50795 24.66358 
1 1 1    4   32    1 o   74.640   15.408   75.489   27.767   84.144   36.728   63.943   42.421   77.649   19.078   68.098   21.941 9.550491 29.07560 
1 1 1    4   32    2 f  366.249   15.691  1757.03  143.513  1692.03  241.235  1792.63  178.544  340.727   28.617  364.685   19.678 -23.95840 34.72990 
1 1 1    4   32    3 o  185.265   20.548  466.236   93.465   0.0000   0.0000  466.236   93.465  ?   ?   185.265   20.548 0.000000 20.54848 
1 1 1    4   32    4 o  131.993   12.551  225.309   40.870  301.105   61.990  167.029   54.358  150.881   16.735  110.280   20.493 40.60125 26.45757 
1 1 1    4   32    5 o  201.655   11.487  520.282   57.606  464.211   91.298  557.372   74.253  185.978   19.971  207.320   14.432 -21.34232 24.64030 
1 1 1    4   32    6 o  287.940   12.907  1062.09   92.807  935.542  154.745  1133.17  115.979  261.467   23.967  295.201   15.790 -33.73337 28.70090 
1 1 1    4   32    7 f   41.407   16.221   14.117   24.401   19.032   26.595 -12.0326   61.350   44.768   17.094   52.627   23.366 -7.859688 28.95133 
1 1 1    4   32    8 o  113.298   11.656  165.005   32.506  160.097   48.914  168.888   43.502  109.259   18.594  113.324   15.802 -4.064453 24.40167 
1 1 1    4   32    9 o  221.265   11.655  624.386   64.173  627.134  106.592  622.824   80.370  217.519   19.842  219.619   14.740 -2.100006 24.71777 
1 1 1    4   32   10 o  304.091   13.325  1182.02  101.189  1102.78  171.945  1224.01  125.157  285.275   24.370  307.248   16.371 -21.97302 29.35875 
1 1 1    4   32   11 o  151.634   11.111  293.167   41.781  292.022   68.408  293.848   52.766  148.520   18.871  150.842   14.174 -2.322250 23.60116 
1 1 1    4   32   12 o  153.202   18.691  309.819   70.024   0.0000   0.0000  309.819   70.024  ?   ?   153.202   18.691 0.000000 18.69079 
1 1 1    4   32   13 o   89.266   12.386  103.182   26.867   99.853   43.874  105.179   33.984   85.573   20.746   89.201   15.837 -3.627785 26.09994 
1 1 1    4   32   14 o  109.932   11.222  154.684   30.374  168.887   51.207  146.973   37.728  112.584   18.883  106.229   14.609 6.354660 23.87400 
1 1 1    4   32   15 o  282.608   13.090  1017.27   92.380  1196.41  160.908  929.195  112.827  300.803   21.564  267.836   16.957 32.96738 27.43264 
1 1 1    4   32   16 o  155.453   14.061  310.917   53.995  489.524   75.768  126.611   76.967  194.680   15.719   95.318   29.404 99.36181 33.34168 
1 1 1    4   32   17 o  135.329   10.926  233.187   36.608  378.504   65.743  167.881   44.073  171.143   15.553  113.307   16.023 57.83626 22.32990 
1 1 1    4   32   18 o  185.639   11.196  437.790   51.660  415.943   91.471  448.022   62.600  177.136   21.094  187.089   13.490 -9.952682 25.03817 
1 1 1    4   32   19 o  212.346   11.374  572.524   60.091  648.756  106.498  536.917   72.784  222.697   19.343  204.613   14.335 18.08363 24.07555 
1 1 1    4   32   20 o  308.549   13.414  1211.81  103.352  1437.38  180.887  1102.48  125.932  330.091   22.072  291.972   17.350 38.11859 28.07459 
1 1 1    4   32   21 o   88.039   19.133  104.136   40.863   0.0000   0.0000  104.136   40.863  ?   ?    88.039   19.133 0.000000 19.13304 
1 1 1    4   32   22 o   69.388   14.638   63.688   24.566   38.513   46.170   73.630   29.014   60.593   22.659   74.419   16.082 -13.82597 27.78557 
1 1 1    4   32   23 o  162.272   11.117  334.580   44.779  347.723   77.116  327.894   55.002  162.676   19.364  159.853   13.917 2.822678 23.84635 
1 1 1    4   32   24 o  181.202   11.304  417.062   50.894  490.234   86.861  378.809   62.804  194.036   18.137  171.606   14.800 22.42918 23.40932 
1 1 1    4   32   25 f  124.261   14.965  200.017   45.503  207.178   58.224  188.782   72.934  125.082   19.258  116.917   25.683 8.164566 32.10116 
1 1 1    4   32   26 o   81.945   13.574   87.644   26.805   93.618   44.138   84.152   33.740   83.035   21.210   79.331   17.501 3.703331 27.49821 
1 1 1    4   32   27 o  186.938   11.480  444.282   53.330  565.437   88.945  376.281   66.636  208.769   17.215  170.581   15.823 38.18784 23.38211 
1 1 1    4   32   28 o   67.075   13.743   59.376   22.246   91.196   37.000   41.361   27.840   82.360   18.448   56.637   17.719 25.72242 25.57944 
1 1 1    4   32   29 o  181.249   13.872  421.816   62.312   0.0000   0.0000  421.816   62.312  ?   ?   181.249   13.872 0.000000 13.87249 
1 1 1    4   32   30 f   80.907   12.470   85.139   24.386   92.646   36.539   79.110   32.745   82.959   18.143   76.710   17.483 6.248619 25.19590 
1 1 1    4   32   31 o  130.376   11.147  217.233   35.944  232.762   53.982  204.863   48.177  133.210   16.587  125.155   15.765 8.055061 22.88364 
1 1 1    4   32   32 o   94.441   15.289  117.674   34.824  129.909   39.136   71.148   76.315   98.960   16.412   77.460   29.098 21.49976 33.40758 
1 1 1    4   32   33 o  105.774   12.735  145.040   32.962  265.679   49.626   49.798   44.094  143.099   14.069   63.519   22.372 79.57993 26.42842 
1 1 1    4   32   34 o  115.207   20.319  181.126   56.320   0.0000   0.0000  181.126   56.320  ?   ?   115.207   20.319 0.000000 20.31915 
1 1 1    4   33    0 o  112.311   16.376  173.315   44.577  158.673   49.844  231.827   99.641  105.334   19.673  115.175   32.969 -9.841644 38.39218 
1 1 1    4   33    1 o  229.924   11.927  688.285   68.243  559.000  106.490  778.379   88.895  197.818   21.926  241.926   14.786 -44.10718 26.44530 
1 1 1    4   33    2 o  201.519   11.501  525.824   57.634  399.737   88.464  618.808   75.969  168.286   21.545  216.746   14.113 -48.45935 25.75608 
1 1 1    4   33    3 o   75.045   15.567   76.685   28.217   89.120   37.788   61.013   42.422   79.652   19.219   66.574   21.973 13.07793 29.19188 
1 1 1    4   33    4 o  189.117   13.631  466.549   63.942  430.426   87.780  507.383   93.330  177.194   20.199  192.965   19.642 -15.77055 28.17476 
1 1 1    4   33    5 o   69.338   15.790   65.312   26.729   50.488   37.302   80.958   38.321   61.833   20.614   76.151   19.923 -14.31820 28.66780 
1 1 1    4   33    6 o  153.167   11.453  301.678   43.489  284.835   66.779  314.083   57.307  145.306   18.848  154.723   15.021 -9.417633 24.10148 
1 1 1    4   33    7 o  147.361   11.535  279.092   42.109  285.291   65.415  274.705   55.025  145.930   18.357  144.571   15.482 1.359055 24.01410 
1 1 1    4   33    8 o  119.288   11.714  183.383   34.444  174.587   51.495  190.505   46.335  113.678   18.797  120.114   15.834 -6.436325 24.57710 
1 1 1    4   33    9 o  109.507   12.425  155.245   33.375  183.132   50.576  133.733   44.420  117.013   17.876   99.398   18.579 17.61501 25.78236 
1 1 1    4   33   10 o   88.192   13.379  101.839   28.539  124.249   43.387   84.747   37.890   95.733   18.820   78.651   19.410 17.08171 27.03592 
1 1 1    4   33   11 f   38.703   15.000   12.885   20.693   10.814   31.180   14.515   27.663   43.824   17.928   43.360   17.181 0.4638176 24.83161 
1 1 1    4   33   12 o   77.347   14.055   78.997   26.147   76.391   41.757   80.678   33.534   74.738   21.325   77.217   17.761 -2.478081 27.75286 
1 1 1    4   33   13 o  117.402   13.633  178.710   39.225  184.007   57.691  174.157   53.491  116.573   20.570  113.761   19.533 2.812065 28.36670 
1 1 1    4   33   14 o   71.239   18.255   68.673   32.623   0.0000   0.0000   68.673   32.623  ?   ?    71.239   18.255 0.000000 18.25488 
1 1 1    4   33   15 o  216.599   12.000  598.640   64.653  612.165  111.748  591.835   79.267  214.322   21.156  214.116   14.918 0.2061768 25.88645 
1 1 1    4   33   16 f  160.391   14.518  332.401   57.516  475.040   80.076  180.388   82.666  190.861   16.978  112.101   29.229 78.76077 33.80220 
1 1 1    4   33   17 f  105.693   11.964  143.715   31.021  170.521   56.664  132.243   37.069  112.217   20.992  100.406   15.265 11.81094 25.95569 
1 1 1    4   33   18 o  210.223   14.481  568.675   75.557  549.404  106.906  587.909  106.803  203.120   21.398  210.668   20.564 -7.547714 29.67775 
1 1 1    4   33   19 o  295.237   13.395  1112.35   98.754  1058.02  172.317  1138.93  120.507  279.746   24.928  296.792   16.322 -17.04590 29.79650 
1 1 1    4   33   20 o  193.574   11.326  476.706   54.510  611.076   97.434  415.489   65.765  216.229   18.214  179.478   14.806 36.75107 23.47263 
1 1 1    4   33   21 o  116.952   11.470  175.072   33.066  167.304   59.643  178.519   39.731  110.750   22.337  117.478   13.806 -6.728020 26.25922 
1 1 1    4   33   22 f  166.059   11.378  351.237   46.896  411.596   83.884  323.796   56.561  176.721   19.323  158.445   14.454 18.27528 24.13102 
1 1 1    4   33   23 o   90.145   15.321  106.979   33.255  121.969   54.128   97.891   42.147   94.061   23.191   84.878   20.180 9.183434 30.74207 
1 1 1    4   33   24 o  130.912   11.562  219.069   37.410  190.966   62.864  234.477   46.549  118.607   22.036  134.754   14.039 -16.14630 26.12805 
1 1 1    4   33   25 o   44.355   15.634   22.500   21.536   27.647   36.165   19.673   26.807   52.752   19.983   45.326   17.196 7.426025 26.36365 
1 1 1    4   33   26 o   97.858   12.847  124.000   30.636  158.305   49.596  102.835   38.956  108.793   18.944   87.398   18.430 21.39433 26.42979 
1 1 1    4   33   27 o  202.906   15.442  532.720   77.654  615.657  103.382  425.341  117.632  216.118   19.361  174.407   27.953 41.71118 34.00354 
1 1 1    4   33   28 o  161.875   11.337  334.389   45.540  413.972   75.379  288.646   57.149  177.846   17.187  148.886   15.603 28.95967 23.21302 
1 1 1    4   33   29 o   56.818   14.963   43.076   21.525   52.267   35.031   37.502   27.282   63.037   19.900   54.228   17.608 8.808353 26.57125 
1 1 1    4   33   30 o   83.523   16.656   93.570   33.522   0.0000   0.0000   93.570   33.522  ?   ?    83.523   16.656 0.000000 16.65643 
1 1 1    4   33   31 o  129.382   12.253  215.736   39.115  250.831   55.079  180.027   55.559  138.034   16.293  115.100   20.059 22.93392 25.84257 
1 1 1    4   33   32 o   68.288   13.617   61.995   22.406   69.567   30.394   52.982   33.160   71.523   17.223   62.862   19.285 8.660713 25.85624 
1 1 1    4   33   33 o   85.989   14.635   98.223   30.300   88.634   32.750  155.211   79.842   80.899   16.762  101.948   29.608 -21.04955 34.02399 
1 1 1    4   33   34 o  152.221   12.986  300.684   48.891  507.014   77.577  164.735   62.971  196.173   15.975  107.257   24.098 88.91621 28.91229 
1 1 1    4   34    0 o  141.384   12.057  266.191   42.160  210.839   59.630  321.518   59.617  118.743   20.872  152.083   15.935 -33.33896 26.25894 
1 1 1    4   34    1 o   63.393   18.438   58.281   30.943   31.201   32.994  256.007   89.153   50.698   19.115  122.954   29.428 -72.25623 35.09167 
1 1 1    4   34    2 o  173.002   11.445  391.761   49.166  294.774   73.410  470.654   66.209  142.217   21.328  187.365   14.258 -45.14833 25.65483 
1 1 1    4   34    3 o   60.681   16.531   51.544   25.729   36.047   33.219   74.777   40.676   53.440   19.349   71.481   21.237 -18.04145 28.72975 
1 1 1    4   34    4 o  108.202   12.311  154.113   32.672   91.657   45.758  219.066   46.664   78.932   22.255  127.814   14.900 -48.88246 26.78208 
1 1 1    4   34    5 o  118.967   12.064  185.031   35.343  145.608   51.241  220.807   48.813  100.928   21.014  128.258   15.559 -27.33044 26.14723 
1 1 1    4   34    6 o  114.980   21.552  187.545   59.609   0.0000   0.0000  187.545   59.609  ?   ?   114.980   21.552 0.000000 21.55232 
1 1 1    4   34    7 f   42.887   15.803   20.140   22.298   13.828   29.806   28.162   33.604   43.709   17.659   51.029   19.279 -7.319298 26.14388 
1 1 1    4   34    8 o   68.224   15.750   63.346   26.289   52.183   38.228   73.361   36.210   62.625   20.868   72.530   19.549 -9.904736 28.59419 
1 1 1    4   34    9 o  212.241   11.720  579.255   61.876  528.110  101.962  609.071   77.850  196.385   21.123  216.000   14.517 -19.61493 25.63089 
1 1 1    4   34   10 o  279.274   15.672  1021.24  108.854  869.276  148.722  1196.59  159.756  249.817   24.141  296.163   21.753 -46.34579 32.49582 
1 1 1    4   34   11 o  220.132   11.707  621.447   64.125  508.254  107.137  684.633   80.046  192.100   22.777  229.787   14.017 -37.68744 26.74476 
1 1 1    4   34   12 o  158.522   11.414  322.293   44.882  338.275   74.865  313.327   56.077  158.686   19.289  154.971   14.665 3.715607 24.23078 
1 1 1    4   34   13 o  222.895   11.958  636.643   66.316  495.442  112.788  711.248   81.984  188.986   24.474  234.495   14.066 -45.50926 28.22808 
1 1 1    4   34   14 o   45.165   16.463   22.359   24.108   26.149   43.519   20.680   28.958   54.662   21.585   46.529   17.820 8.132778 27.99028 
1 1 1    4   34   15 o  345.369   27.461  1670.23  234.880   0.0000   0.0000  1670.23  234.880  ?   ?   345.369   27.461 0.000000 27.46080 
1 1 1    4   34   16 o  194.887   11.451  485.205   55.486  619.712   97.608  420.989   67.443  216.764   18.201  179.950   15.149 36.81331 23.68042 
1 1 1    4   34   17 o  288.061   13.397  1063.66   96.371  1115.40  168.279  1038.41  117.557  286.410   23.742  282.129   16.761 4.280975 29.06269 
1 1 1    4   34   18 o  144.003   11.374  265.342   40.568  286.432   73.150  255.975   48.752  145.821   20.667  140.523   14.082 5.298416 25.00860 
1 1 1    4   34   19 o  243.897   15.358  770.648   93.059  741.128  131.607  800.167  131.604  234.173   22.795  244.152   21.815 -9.979446 31.55147 
1 1 1    4   34   20 o  378.206   15.766  1849.36  148.901  1934.49  259.136  1807.40  181.935  372.519   28.063  369.845   19.771 2.673492 34.32784 
1 1 1    4   34   21 o  188.977   11.666  456.152   54.785  422.013   96.177  472.549   66.656  176.614   22.304  191.405   14.043 -14.79172 26.35720 
1 1 1    4   34   22 o  206.185   11.982  543.356   61.427  465.575  107.131  581.454   74.977  184.668   23.784  212.327   14.223 -27.65910 27.71227 
1 1 1    4   34   23 o  103.990   12.582  139.941   32.010  177.211   57.308  123.040   38.590  114.135   20.876   96.148   16.677 17.98732 26.71981 
1 1 1    4   34   24 o  146.875   18.645  286.663   66.843   0.0000   0.0000  286.663   66.843  ?   ?   146.875   18.645 0.000000 18.64455 
1 1 1    4   34   25 o  175.533   11.570  393.927   50.431  407.417   85.107  386.628   62.606  174.686   19.863  172.683   14.657 2.003021 24.68516 
1 1 1    4   34   26 o   46.079   16.037   25.113   22.622   62.667   38.164   4.7716   28.088   68.146   20.645   39.828   16.717 28.31808 26.56418 
1 1 1    4   34   27 f   73.091   15.040   71.394   26.535   94.816   43.405   57.416   33.530   82.776   20.973   65.232   19.257 17.54386 28.47296 
1 1 1    4   34   28 o  113.764   16.620  171.904   45.824  185.632   54.908  140.400   83.177  117.077   19.464   97.717   30.637 19.35988 36.29684 
1 1 1    4   34   29 o  142.947   11.613  262.613   41.095  273.176   66.292  256.021   52.373  142.506   19.110  139.709   15.260 2.796463 24.45507 
1 1 1    4   34   30 o  174.072   11.791  389.419   50.953  428.827   81.598  364.231   65.235  179.116   18.510  166.408   15.892 12.70778 24.39588 
1 1 1    4   34   31 o   94.660   12.445  116.943   28.705  170.829   43.777   76.297   38.020  113.344   15.904   74.095   20.057 39.24817 25.59769 
1 1 1    4   34   32 o  104.536   12.735  142.736   32.558  178.443   44.902  103.151   47.277  115.706   15.965   85.252   22.044 30.45386 27.21817 
1 1 1    4   34   33 o  127.778   11.363  210.987   35.880  219.176   52.308  203.711   49.308  127.803   16.797  123.338   16.417 4.464447 23.48708 
1 1 1    4   34   34 o   89.899   15.396  108.833   33.320  114.903   36.262   75.907   84.454   92.013   16.382   77.194   30.195 14.81891 34.35297 
1 1 1    4   34   35 o   49.931   18.294   29.012   29.823   0.0000   0.0000   29.012   29.823  ?   ?    49.931   18.294 0.000000 18.29422 
1 1 1    4   35    0 o   27.286   12.696 -14.7564   20.987 -24.0689   24.978   7.5999   38.702   28.033   13.293   43.317   18.918 -15.28415 23.12121 
1 1 1    4   35    1 o   88.117   15.050  109.798   31.928  109.008   43.400  110.728   47.137   83.425   20.881   82.888   22.289 0.5373154 30.54269 
1 1 1    4   35    2 o   39.547   15.636   15.096   22.863   4.4364   28.224   35.439   38.989   38.174   16.414   53.088   20.586 -14.91464 26.32863 
1 1 1    4   35    3 o   48.286   18.113   28.457   29.549   26.918   31.800   38.183   79.952   48.304   18.630   63.032   27.364 -14.72830 33.10360 
1 1 1    4   35    4 o  102.858   12.937  142.069   32.494   99.018   45.563  186.631   46.355   80.531   22.023  115.723   16.509 -35.19171 27.52360 
1 1 1    4   35    5 o  125.887   12.213  209.572   37.909  181.156   55.767  233.983   51.687  111.351   20.821  130.430   16.219 -19.07906 26.39270 
1 1 1    4   35    6 o  135.430   11.831  240.653   39.609  189.553   59.341  281.713   53.193  113.880   21.658  144.600   14.947 -30.72023 26.31539 
1 1 1    4   35    7 o   78.712   16.655   86.191   31.716   88.889   41.739   82.505   48.787   78.078   20.965   74.653   23.473 3.424606 31.47254 
1 1 1    4   35    8 o  219.958   15.724  647.243   85.797   0.0000   0.0000  647.243   85.797  ?   ?   219.958   15.724 0.000000 15.72358 
1 1 1    4   35    9 o   62.580   16.482   54.136   26.113   50.278   38.681   57.367   35.397   61.267   20.990   64.173   19.964 -2.906231 28.96787 
1 1 1    4   35   10 o  163.046   11.521  344.003   46.605  295.492   76.062  373.164   58.971  144.837   21.698  168.375   14.157 -23.53856 25.90771 
1 1 1    4   35   11 f  128.266   12.152  213.974   38.459  190.512   61.478  229.058   49.295  115.914   22.045  131.254   15.329 -15.34019 26.85016 
1 1 1    4   35   12 o   65.863   16.636   59.504   27.370  -9.7963   43.481  104.984   35.224   43.964   19.587   87.877   16.661 -43.91307 25.71436 
1 1 1    4   35   13 o  126.806   12.114  208.527   37.893  169.974   64.546  228.802   46.808  108.478   24.417  131.881   14.450 -23.40337 28.37199 
1 1 1    4   35   14 o  120.158   16.821  193.351   49.088  262.799   64.824   99.996   75.158  139.093   19.173   83.791   29.228 55.30217 34.95485 
1 1 1    4   35   15 o  190.099   11.726  464.701   55.392  495.046   96.740  449.899   67.564  190.647   20.650  185.510   14.705 5.136719 25.35095 
1 1 1    4   35   16 o  228.445   15.143  681.976   85.898  617.339  124.550  740.607  118.622  210.304   24.154  233.866   20.519 -23.56194 31.69345 
1 1 1    4   35   17 o   56.686   18.378   41.937   29.727   0.0000   0.0000   41.937   29.727  ?   ?    56.686   18.378 0.000000 18.37773 
1 1 1    4   35   18 o   68.132   15.906   62.830   26.571  106.567   52.185   47.521   30.873   86.660   23.515   59.750   18.654 26.90999 30.01558 
1 1 1    4   35   19 o  264.524   12.987  899.654   85.787  731.019  149.747  982.035  104.664  226.892   26.957  274.443   15.333 -47.55080 31.01271 
1 1 1    4   35   20 o   53.681   16.777   37.769   24.964   78.115   50.830   24.943   28.659   75.253   23.993   48.181   17.884 27.07270 29.92542 
1 1 1    4   35   21 o  181.856   14.696  430.938   66.170  433.754   92.100  427.933   95.131  178.665   21.046  176.787   22.027 1.878281 30.46509 
1 1 1    4   35   22 o   67.814   16.060   62.261   26.777   56.293   50.298   64.622   31.632   66.894   23.858   68.740   18.157 -1.845772 29.98160 
1 1 1    4   35   23 o  195.052   12.158  489.175   58.926  388.596  101.366  540.512   72.420  166.064   25.238  203.953   14.310 -37.88893 29.01261 
1 1 1    4   35   24 f  142.893   11.878  263.044   42.000  286.987   72.694  251.047   51.459  145.051   20.652  138.256   15.153 6.795425 25.61492 
1 1 1    4   35   25 o  161.112   19.039  349.299   75.119   0.0000   0.0000  349.299   75.119  ?   ?   161.112   19.039 0.000000 19.03930 
1 1 1    4   35   26 o  176.696   12.196  402.431   53.485  404.275   89.175  401.396   66.843  171.862   21.230  174.826   15.470 -2.964279 26.26851 
1 1 1    4   35   27 o  133.609   11.966  230.714   39.502  249.872   64.983  219.487   49.749  135.332   19.816  128.694   15.813 6.638351 25.35162 
1 1 1    4   35   28 o  146.230   11.771  275.994   42.618  281.056   68.758  272.835   54.308  143.549   19.701  143.767   15.365 -0.2183380 24.98381 
1 1 1    4   35   29 o  135.874   16.073  245.664   53.479  251.737   64.512  232.322   95.621  135.607   19.621  122.383   31.196 13.22416 36.85293 
1 1 1    4   35   30 o  111.862   12.221  163.017   33.582  175.892   52.781  154.259   43.530  112.924   19.417  106.832   16.877 6.092216 25.72694 
1 1 1    4   35   31 o  166.280   11.632  357.452   47.997  393.498   75.787  333.312   62.019  170.540   18.071  158.217   15.913 12.32300 24.07892 
1 1 1    4   35   32 o  135.610   11.773  238.861   39.473  266.619   60.159  217.876   52.307  140.170   17.573  126.916   16.926 13.25407 24.39901 
1 1 1    4   35   33 o   38.867   14.462   16.023   18.764   22.838   22.864   1.9670   32.837   44.372   16.055   41.073   17.683 3.299252 23.88408 
1 1 1    4   35   34 o  146.007   12.063  278.125   43.589  325.226   64.924  239.472   58.815  154.774   17.083  131.779   18.373 22.99574 25.08714 
1 1 1    4   35   35 o   94.742   32.463  149.748   92.525   0.0000   0.0000  149.748   92.525  ?   ?    94.742   32.463 0.000000 32.46307 
1 1 1    4   36    0 o   77.724   17.941   94.615   34.115   86.719   42.178  109.554   58.016   70.618   21.764   74.645   25.699 -4.026939 33.67660 
1 1 1    4   36    1 o  182.689   18.311  507.669   82.412   0.0000   0.0000  507.669   82.412  ?   ?   182.689   18.311 0.000000 18.31110 
1 1 1    4   36    2 o   55.489   17.584   46.472   27.331   49.712   35.554   41.791   42.733   56.831   20.082   54.379   21.416 2.452293 29.35817 
1 1 1    4   36    3 o   43.258   16.400   22.742   24.370   13.851   30.775   37.692   39.906   42.058   17.564   53.090   20.759 -11.03233 27.19294 
1 1 1    4   36    4 o   90.030   17.865  119.586   38.746   86.870   43.689  240.120   83.859   73.526   22.047  114.767   29.192 -41.24062 36.58205 
1 1 1    4   36    5 o   33.756   14.619   1.1259   22.709  -8.1308   29.470   14.658   35.631   35.150   15.854   44.914   18.838 -9.763680 24.62209 
1 1 1    4   36    6 o   62.466   17.163   56.559   27.596   20.412   38.888   93.230   39.168   48.274   19.917   78.757   19.906 -30.48234 28.15881 
1 1 1    4   36    7 o   86.682   14.834  103.844   30.955   97.777   45.574  109.040   42.177   79.774   22.111   85.671   20.067 -5.897369 29.85935 
1 1 1    4   36    8 o  152.984   11.582  307.692   43.918  198.475   68.578  383.624   57.181  112.690   25.022  169.309   13.640 -56.61958 28.49805 
1 1 1    4   36    9 f  116.396   22.153  200.527   62.038   0.0000   0.0000  200.527   62.038  ?   ?   116.396   22.153 0.000000 22.15300 
1 1 1    4   36   10 o   98.377   13.856  130.092   33.097  107.145   52.234  145.484   42.780   83.900   23.820  102.180   17.389 -18.27999 29.49186 
1 1 1    4   36   11 o  133.995   12.028  235.362   39.817  115.660   65.236  306.433   50.267   85.903   27.160  152.210   13.360 -66.30687 30.26769 
1 1 1    4   36   12 o   70.275   16.629   68.787   28.727   50.968   48.541   78.393   35.639   62.836   23.285   74.164   19.121 -11.32745 30.12962 
1 1 1    4   36   13 o  147.861   21.520  310.525   77.127  310.525   77.127   0.0000   0.0000  147.861   21.520  ?   ?  0.000000 21.51951 
1 1 1    4   36   14 o  141.704   12.193  261.925   42.726  194.097   73.926  295.946   52.356  113.076   26.622  149.588   14.185 -36.51241 30.16512 
1 1 1    4   36   15 o  196.355   11.884  499.761   57.998  427.616  100.639  535.637   70.969  172.246   24.054  201.763   14.176 -29.51675 27.91996 
1 1 1    4   36   16 f  201.032   12.097  523.900   60.447  466.097  105.762  551.942   73.664  180.189   24.109  204.737   14.502 -24.54791 28.13449 
1 1 1    4   36   17 f  244.712   12.822  778.138   78.079  791.467  136.994  771.724   95.023  236.300   23.529  241.225   15.863 -4.924713 28.37675 
1 1 1    4   36   18 o   74.809   21.434   79.522   42.096   0.0000   0.0000   79.522   42.096  ?   ?    74.809   21.434 0.000000 21.43350 
1 1 1    4   36   19 f  163.515   11.824  345.894   47.956  260.279   86.214  384.252   57.707  132.415   26.989  171.447   13.590 -39.03242 30.21704 
1 1 1    4   36   20 f   68.685   16.375   64.689   27.691   44.741   54.376   71.674   32.175   63.079   24.352   71.893   17.971 -8.814682 30.26507 
1 1 1    4   36   21 o  110.362   12.959  159.592   35.035  148.186   63.542  164.574   41.996  100.246   25.363  110.973   15.584 -10.72641 29.76831 
1 1 1    4   36   22 o  253.155   16.212  849.370  101.948  859.914  142.072  838.178  146.377  247.365   23.273  242.801   24.476 4.564087 33.77429 
1 1 1    4   36   23 o   95.075   14.205  120.104   32.691  106.001   58.278  126.579   39.489   84.975   25.460   96.470   17.014 -11.49480 30.62138 
1 1 1    4   36   24 o  137.887   12.336  247.216   42.028  188.475   72.876  276.489   51.446  112.580   26.383  144.863   14.413 -32.28238 30.06289 
1 1 1    4   36   25 o  198.815   12.546  512.999   61.969  508.514  105.728  515.345   76.485  190.080   22.725  197.215   15.659 -7.134888 27.59756 
1 1 1    4   36   26 o  107.467   13.460  152.272   35.329  168.423   57.934  142.710   44.576  108.659   22.103  101.855   18.193 6.803864 28.62786 
1 1 1    4   36   27 f  115.930   14.417  178.362   40.835  149.897   61.589  200.692   54.549  100.741   24.677  120.795   18.687 -20.05450 30.95400 
1 1 1    4   36   28 o  102.704   13.410  139.491   33.571  174.363   53.730  117.161   42.996  111.562   20.022   91.296   19.454 20.26570 27.91708 
1 1 1    4   36   29 o   57.277   16.074   44.987   23.928   45.257   39.611   44.831   30.026   59.332   21.171   57.550   18.451 1.782356 28.08300 
1 1 1    4   36   30 o  169.659   16.012  386.397   67.035  401.603   82.323  356.471  115.488  169.997   19.761  148.445   32.090 21.55148 37.68613 
1 1 1    4   36   31 o   88.092   14.040  104.219   29.849   96.993   44.981  109.905   39.899   81.508   21.710   88.332   18.672 -6.824028 28.63545 
1 1 1    4   36   32 o  114.687   12.449  173.216   35.081  173.497   52.384  172.988   47.239  110.762   19.659  111.941   17.469 -1.179199 26.29937 
1 1 1    4   36   33 o   56.503   15.603   44.132   22.742   59.352   31.277   27.059   33.126   64.722   18.452   49.744   19.058 14.97730 26.52704 
1 1 1    4   36   34 o   90.818   21.179  120.822   47.148   0.0000   0.0000  120.822   47.148  ?   ?    90.818   21.179 0.000000 21.17865 
1 1 1    4   36   35 o   56.312   20.349   41.165   36.717   0.0000   0.0000   41.165   36.717  ?   ?    56.312   20.349 0.000000 20.34935 
1 1 1    4   37    0 o   80.207   17.568  103.241   34.213  101.674   45.785  105.222   51.485   73.129   22.698   72.079   24.218 1.050491 33.19209 
1 1 1    4   37    1 o   55.629   18.182   50.324   29.074   32.224   38.016   75.826   45.125   48.333   19.787   63.841   22.617 -15.50844 30.05048 
1 1 1    4   37    2 o   38.662   18.087 -16.2820   43.523   0.0000   0.0000 -16.2820   43.523  ?   ?    38.662   18.087 0.000000 18.08684 
1 1 1    4   37    3 o   33.835   14.863   1.2384   24.198  -0.5992   30.965   4.1212   38.783   36.858   16.467   41.427   18.474 -4.569195 24.74781 
1 1 1    4   37    4 o  104.427   14.265  155.316   36.227  108.719   51.473  201.050   50.995   77.795   24.054  114.592   18.446 -36.79724 30.31242 
1 1 1    4   37    5 o  161.821   11.978  355.882   48.060  224.112   73.108  456.167   63.778  111.442   26.633  180.289   14.283 -68.84631 30.22122 
1 1 1    4   37    6 o   71.509   20.360   81.195   38.105   80.146   43.836   84.436   77.085   69.735   22.287   68.931   28.193 0.8044739 35.93776 
1 1 1    4   37    7 o   69.136   17.177   70.866   29.523   37.878   42.583  101.399   40.968   54.026   21.346   80.664   20.342 -26.63757 29.48609 
1 1 1    4   37    8 o  170.425   11.698  387.402   49.483  228.011   78.561  492.223   63.709  114.385   27.780  190.213   13.500 -75.82807 30.88658 
1 1 1    4   37    9 o   92.128   14.544  117.762   32.350   91.402   49.454  137.479   42.770   75.326   23.624   97.018   18.325 -21.69230 29.89875 
1 1 1    4   37   10 o   50.426   18.435   32.876   30.259  -1.9053   42.889   67.349   42.698   43.820   19.492   66.562   22.048 -22.74191 29.42919 
1 1 1    4   37   11 o  180.593   15.538  447.492   69.388   0.0000   0.0000  447.492   69.388  ?   ?   180.593   15.538 0.000000 15.53757 
1 1 1    4   37   12 o   66.168   23.302   64.355   47.832   64.355   47.832   0.0000   0.0000   66.168   23.302  ?   ?  0.000000 23.30179 
1 1 1    4   37   13 o   90.619   14.871  112.576   32.484   61.132   55.439  139.472   40.086   66.051   24.803  100.027   16.632 -33.97597 29.86366 
1 1 1    4   37   14 o  140.472   12.391  260.615   43.021  250.592   74.587  265.612   52.665  128.698   24.094  139.855   15.331 -11.15727 28.55761 
1 1 1    4   37   15 o  147.162   12.340  285.216   44.932  212.783   78.369  320.685   54.840  115.574   27.545  154.719   14.358 -39.14516 31.06189 
1 1 1    4   37   16 o   53.529   17.419   38.816   26.695  108.822   52.847   14.835   30.931   84.584   23.941   44.037   17.917 40.54696 29.90286 
1 1 1    4   37   17 o   40.645   16.291   13.292   25.152   60.385   56.234   1.5145   28.121   66.889   25.007   37.937   16.349 28.95114 29.87735 
1 1 1    4   37   18 o  159.988   12.064  334.792   47.842  235.842   85.695  379.598   57.665  121.854   28.645  169.278   13.761 -47.42400 31.77882 
1 1 1    4   37   19 o   50.908   19.540   28.272   34.865   0.0000   0.0000   28.272   34.865  ?   ?    50.908   19.540 0.000000 19.54018 
1 1 1    4   37   20 o  133.545   12.322  233.912   40.628  183.160   73.730  256.042   48.686  108.383   27.266  138.669   14.263 -30.28597 30.77108 
1 1 1    4   37   21 o  131.595   12.661  227.691   41.094  139.119   73.605  267.801   49.533   93.449   28.742  141.936   14.164 -48.48668 32.04267 
1 1 1    4   37   22 o   71.132   16.862   70.592   29.496   13.944   54.375   94.211   35.110   53.635   22.915   82.056   17.658 -28.42173 28.92909 
1 1 1    4   37   23 o  154.318   15.921  320.965   60.471  287.908   81.254  362.005   90.536  139.783   24.151  157.359   23.782 -17.57553 33.89450 
1 1 1    4   37   24 o   79.940   15.912   87.916   30.647  105.229   54.333   79.837   37.114   83.560   24.470   74.644   19.644 8.915497 31.37952 
1 1 1    4   37   25 o   61.741   17.681   53.347   28.652   8.8710   51.045   73.805   34.620   51.086   22.021   71.963   18.989 -20.87728 29.07726 
1 1 1    4   37   26 o   56.071   17.583   43.097   27.396   36.195   46.704   46.718   33.826   57.270   22.440   58.592   19.631 -1.321644 29.81471 
1 1 1    4   37   27 o   77.564   16.275   83.463   30.518   47.244   48.946  106.499   39.034   61.386   23.249   86.710   18.586 -25.32311 29.76495 
1 1 1    4   37   28 o  111.463   20.455  178.234   54.836   0.0000   0.0000  178.234   54.836  ?   ?   111.463   20.455 0.000000 20.45473 
1 1 1    4   37   29 o   45.590   16.729   24.361   24.951  -3.5300   37.935   45.627   33.125   41.878   18.494   57.775   19.426 -15.89723 26.82144 
1 1 1    4   37   30 o   70.397   15.650   68.899   26.799   53.248   42.899   78.916   34.320   62.211   22.050   74.186   18.569 -11.97520 28.82753 
1 1 1    4   37   31 o   66.605   20.796   64.425   38.370   78.756   41.732 -13.9321   97.579   72.927   21.471   60.738   27.949 12.18848 35.24373 
1 1 1    4   37   32 o   53.017   16.335   38.753   23.762   33.081   35.534   43.341   31.959   52.542   19.831   56.292   19.080 -3.750271 27.51938 
1 1 1    4   37   33 o  104.834   18.792  156.802   47.387   0.0000   0.0000  156.802   47.387  ?   ?   104.834   18.792 0.000000 18.79169 
1 1 1    4   37   34 o   67.398   21.455   67.021   40.656   0.0000   0.0000   67.021   40.656  ?   ?    67.398   21.455 0.000000 21.45504 
1 1 1    4   38    0 o   40.132   17.637   14.537   34.106   5.0380   36.160   91.099  102.658   38.334   17.400   56.726   26.913 -18.39151 32.04788 
1 1 1    4   38    1 o   58.863   19.098   61.476   32.097   65.825   42.380   55.625   49.153   58.128   21.714   54.110   22.363 4.018509 31.17095 
1 1 1    4   38    2 o   38.912   16.690   12.760   29.052 -14.2119   38.123   50.117   44.866   35.911   16.841   53.458   21.641 -17.54679 27.42176 
1 1 1    4   38    3 o   73.234   18.731   89.169   34.391   57.690   48.044  122.251   49.252   56.545   22.568   80.244   23.240 -23.69879 32.39452 
1 1 1    4   38    4 o  136.879   19.121  301.413   63.572   0.0000   0.0000  301.413   63.572  ?   ?   136.879   19.121 0.000000 19.12063 
1 1 1    4   38    5 o   79.542   17.015   97.749   32.776   56.530   47.080  136.512   45.656   57.618   22.543   90.350   20.682 -32.73269 30.59311 
1 1 1    4   38    6 o   36.205   15.668   5.4000   26.051 -13.8704   36.552   25.294   37.139   36.397   16.874   46.825   19.403 -10.42828 25.71391 
1 1 1    4   38    7 o   60.286   20.699   59.383   37.623   19.963   43.770  170.905   73.621   47.417   20.415   90.940   28.863 -43.52296 35.35334 
1 1 1    4   38    8 o   63.353   17.757   61.787   29.222   23.850   43.641   92.623   39.344   48.850   20.687   75.686   20.368 -26.83626 29.03166 
1 1 1    4   38    9 o   50.354   17.745   36.261   27.743 -53.5008   42.898  100.793   36.373   33.596   16.308   81.278   18.355 -47.68195 24.55288 
1 1 1    4   38   10 f   73.621   17.551   81.218   31.811   1.3610   51.541  130.359   40.431   46.675   21.018   93.518   17.966 -46.84341 27.64979 
1 1 1    4   38   11 o   55.817   22.202   41.199   46.354   41.199   46.354   0.0000   0.0000   55.817   22.202  ?   ?  0.000000 22.20182 
1 1 1    4   38   12 o   54.559   21.170   39.147   41.257   0.0000   0.0000   39.147   41.257  ?   ?    54.559   21.170 0.000000 21.17017 
1 1 1    4   38   13 o   43.454   17.058   20.003   27.028   24.998   48.651   17.773   32.507   52.264   21.972   44.719   18.301 7.544575 28.59525 
1 1 1    4   38   14 o   83.867   16.060   99.882   32.411   79.640   58.317  108.928   38.986   70.444   25.617   85.915   18.702 -15.47130 31.71736 
1 1 1    4   38   15 o   34.596   15.154  -1.1601   24.999 -54.4103   48.467   18.142   29.180   37.031   17.816   43.800   17.550 -6.769234 25.00892 
1 1 1    4   38   16 o   71.667   21.437   78.377   41.342  101.599   56.372   51.352   60.813   79.103   25.272   62.884   25.287 16.21838 35.75109 
1 1 1    4   38   17 o   63.455   17.733   58.263   29.186   54.304   55.786   59.755   34.247   63.222   24.593   63.784   19.603 -0.5626106 31.45030 
1 1 1    4   38   18 o   45.924   16.998   25.276   25.854   31.423   51.577   23.213   29.879   55.885   22.982   46.395   18.012 9.490364 29.19986 
1 1 1    4   38   19 o  151.473   12.564  304.770   47.095  145.012   83.502  379.296   57.032   90.502   30.840  168.147   13.702 -77.64451 33.74691 
1 1 1    4   38   20 o  121.158   13.185  196.593   39.248  126.138   72.085  226.280   46.792   86.546   28.647  128.983   14.795 -42.43712 32.24160 
1 1 1    4   38   21 o   66.728   21.439   65.735   40.524   0.0000   0.0000   65.735   40.524  ?   ?    66.728   21.439 0.000000 21.43905 
1 1 1    4   38   22 o   47.197   17.333   27.005   26.795   33.590   51.473   24.557   31.382   56.798   23.112   47.650   18.471 9.147545 29.58602 
1 1 1    4   38   23 o   76.236   16.650   82.115   30.811   34.504   56.401  102.367   36.784   58.326   24.015   84.615   17.964 -26.28919 29.99061 
1 1 1    4   38   24 o  141.532   12.834  266.383   44.865  241.427   77.003  279.209   55.203  124.130   25.688  142.793   15.743 -18.66370 30.12864 
1 1 1    4   38   25 o   40.927   18.233  -5.4762   37.676  -6.1976   44.417  -3.6255   71.141   44.016   19.689   54.455   24.591 -10.43850 31.50190 
1 1 1    4   38   26 o   47.258   17.354   27.136   26.856   2.5762   47.255   38.853   32.640   47.236   20.760   54.101   19.228 -6.865253 28.29590 
1 1 1    4   38   27 o  102.637   14.514  143.584   36.162  111.787   59.729  161.984   45.436   83.369   25.933  107.136   17.594 -23.76640 31.33798 
1 1 1    4   38   28 f  111.600   13.621  167.914   37.172  146.357   59.364  181.818   47.675   96.452   24.576  113.735   17.334 -17.28295 30.07437 
1 1 1    4   38   29 o   69.489   22.067   72.746   43.029   0.0000   0.0000   72.746   43.029  ?   ?    69.489   22.067 0.000000 22.06704 
1 1 1    4   38   30 o   99.449   14.735  135.619   35.486  129.187   53.480  140.679   47.432   91.172   23.379   97.789   20.095 -6.617249 30.82838 
1 1 1    4   38   31 o  133.895   13.369  240.859   44.104  235.126   68.477  244.923   57.654  124.443   22.879  131.412   18.045 -6.968857 29.13872 
1 1 1    4   38   32 o   41.297   15.826   18.149   22.846   23.921   35.127   13.918   30.077   48.452   19.310   42.790   17.568 5.661476 26.10581 
1 1 1    4   38   33 o   41.593   17.503   9.4739   30.922   0.0000   0.0000   9.4739   30.922  ?   ?    41.593   17.503 0.000000 17.50284 
1 1 1    4   39    0 o   40.886   18.255   21.258   37.987   23.808   41.024   5.9251  100.598   41.922   18.825   45.183   22.497 -3.260532 29.33478 
1 1 1    4   39    1 o   42.297   18.760   22.753   39.444   23.330   42.956   19.650   99.601   42.962   19.280   47.551   23.444 -4.588520 30.35340 
1 1 1    4   39    2 o   57.119   19.846   62.774   34.636   17.722   46.531  118.752   51.867   43.165   19.649   71.757   24.307 -28.59176 31.25516 
1 1 1    4   39    3 o   63.505   19.736   74.399   34.602   32.005   47.381  122.849   50.653   47.199   20.764   75.771   23.930 -28.57104 31.68258 
1 1 1    4   39    4 o   50.193   18.822   42.373   31.903   44.361   45.356   40.426   44.883   51.042   21.320   49.911   21.050 1.130630 29.96063 
1 1 1    4   39    5 o  123.859   27.956  325.440   84.417   0.0000   0.0000  325.440   84.417  ?   ?   123.859   27.956 0.000000 27.95628 
1 1 1    4   39    6 o   36.824   16.225   5.1357   29.034 -26.6412   41.282   36.237   40.841   35.399   16.872   49.558   20.424 -14.15922 26.49161 
1 1 1    4   39    7 o   52.633   18.466   44.455   30.022   43.183   44.378   45.528   40.766   52.593   21.437   53.126   20.918 -0.5332260 29.95223 
1 1 1    4   39    8 f  111.364   14.478  180.394   39.310   60.712   61.184  264.524   51.298   58.783   24.672  133.461   15.692 -74.67811 29.23963 
1 1 1    4   39    9 o   83.751   21.921  121.035   46.379   65.297   57.940  220.454   77.381   60.641   24.578  103.071   28.898 -42.43063 37.93639 
1 1 1    4   39   10 o   63.600   21.637   68.903   41.099   49.645   48.536  117.697   77.259   56.432   22.627   73.438   28.835 -17.00599 36.65318 
1 1 1    4   39   11 o  119.177   13.858  200.480   40.474  129.786   67.115  240.883   50.738   80.298   27.641  128.138   16.219 -47.83999 32.04870 
1 1 1    4   39   12 o  111.050   14.341  174.717   38.840  145.361   67.704  189.117   47.419   86.219   27.712  112.595   17.428 -26.37587 32.73693 
1 1 1    4   39   13 o   86.418   17.110  111.115   35.617   85.524   62.996  123.140   43.181   68.857   26.305   88.503   20.008 -19.64619 33.04931 
1 1 1    4   39   14 o   73.753   23.418   92.334   48.458   0.0000   0.0000   92.334   48.458  ?   ?    73.753   23.418 0.000000 23.41758 
1 1 1    4   39   15 o   92.568   15.648  122.791   34.883  110.941   63.637  127.881   41.708   77.939   26.911   91.987   18.792 -14.04824 32.82264 
1 1 1    4   39   16 o  118.819   13.585  194.501   39.584  163.713   71.490  208.113   47.536   94.201   28.193  120.699   16.179 -26.49759 32.50500 
1 1 1    4   39   17 o  109.560   14.277  166.694   38.132   80.156   67.271  207.663   46.287   69.219   26.984  121.250   15.653 -52.03017 31.19543 
1 1 1    4   39   18 o   29.465   13.787 -19.5930   25.307   17.033   50.479 -31.8896   29.249   50.473   21.827   29.591   14.131 20.88197 26.00198 
1 1 1    4   39   19 f   61.058   17.987   55.192   29.280   7.9644   56.772   72.308   34.176   50.533   22.455   69.141   19.142 -18.60892 29.50631 
1 1 1    4   39   20 f   33.818   14.957  -2.8884   24.901  -4.3736   51.681  -2.4394   28.416   46.423   20.962   36.111   15.974 10.31170 26.35478 
1 1 1    4   39   21 o   41.336   16.694   15.199   26.630   20.762   51.156   13.130   31.189   51.974   22.216   42.594   17.726 9.380337 28.42145 
1 1 1    4   39   22 o   60.098   21.592   52.661   41.267   0.0000   0.0000   52.661   41.267  ?   ?    60.098   21.592 0.000000 21.59189 
1 1 1    4   39   23 o  104.476   14.916  151.512   37.810   14.787   66.687  216.287   45.901   55.124   24.424  125.007   15.004 -69.88279 28.66404 
1 1 1    4   39   24 o   36.451   15.677   3.2086   25.758  -8.9704   49.412   7.7530   30.183   44.844   20.349   40.382   17.158 4.461685 26.61723 
1 1 1    4   39   25 o  101.140   15.356  142.792   37.565  111.378   65.129  158.452   45.985   80.510   27.238  104.452   18.297 -23.94144 32.81254 
1 1 1    4   39   26 o   86.554   22.574  117.888   49.298  137.118   58.660   71.646   90.963   91.374   24.989   70.276   29.820 21.09877 38.90582 
1 1 1    4   39   27 o   84.872   16.785  103.236   34.314   92.830   56.815  109.211   43.052   75.122   25.440   84.743   20.555 -9.620232 32.70636 
1 1 1    4   39   28 o  119.474   14.046  195.233   41.106  155.192   63.526  224.073   53.913   96.570   25.837  125.011   17.770 -28.44138 31.35786 
1 1 1    4   39   29 o   61.761   18.192   56.061   29.954   0.2096   45.707   98.104   39.656   45.315   20.142   80.686   19.824 -35.37148 28.26093 
1 1 1    4   39   30 o   51.983   20.145   33.014   37.323   0.0000   0.0000   33.014   37.323  ?   ?    51.983   20.145 0.000000 20.14539 
1 1 1    4   39   31 f   85.571   15.533  103.193   31.969  121.728   49.686   90.100   41.760   87.917   22.529   76.336   21.168 11.58150 30.91347 
1 1 1    4   39   32 o   91.139   20.345  125.802   45.130   0.0000   0.0000  125.802   45.130  ?   ?    91.139   20.345 0.000000 20.34478 
1 1 1    4   40    1 o   35.944   16.939   2.8425   39.400   11.154   43.183 -38.4594   96.265   38.159   17.904   40.051   20.221 -1.892174 27.00817 
1 1 1    4   40    2 o   39.413   18.116   15.294   40.850   10.192   45.523   36.390   92.565   39.269   18.411   45.840   22.600 -6.571735 29.15039 
1 1 1    4   40    3 f   44.955   19.577   35.253   41.183   30.477   45.950   54.754   92.854   44.142   19.864   48.919   23.803 -4.777718 31.00236 
1 1 1    4   40    4 o   41.743   17.805   24.279   32.729   36.850   46.246   11.664   46.326   46.541   20.493   41.267   19.084 5.273331 28.00330 
1 1 1    4   40    5 o   81.457   19.263  118.920   38.567   73.990   57.069  156.689   52.324   56.165   23.714   86.523   23.575 -30.35786 33.43848 
1 1 1    4   40    6 o   33.156   15.341  -7.1941   29.998   23.252   44.113 -33.3864   40.915   44.654   19.820   33.261   16.093 11.39271 25.53107 
1 1 1    4   40    7 o   47.597   21.175   28.964   50.625   0.0000   0.0000   28.964   50.625  ?   ?    47.597   21.175 0.000000 21.17480 
1 1 1    4   40    8 f   69.262   19.676   84.217   35.630  -8.3441   55.243  150.147   46.624   42.431   20.014   92.468   20.706 -50.03771 28.79791 
1 1 1    4   40    9 o   47.039   20.060   27.929   41.529   14.074   48.725   64.721   79.402   45.234   20.396   57.811   26.055 -12.57712 33.08833 
1 1 1    4   40   10 f   46.786   20.143   24.678   42.605   44.428   51.760 -16.8235   75.030   53.273   22.543   46.850   22.443 6.422382 31.81009 
1 1 1    4   40   11 o  117.384   15.076  203.410   43.170  173.527   72.601  219.755   53.693   88.030   28.730  117.098   19.014 -29.06782 34.45253 
1 1 1    4   40   12 o  165.729   13.331  388.867   54.704  308.223   93.743  430.509   67.363  117.963   31.304  170.041   16.054 -52.07778 35.18085 
1 1 1    4   40   13 o   59.848   19.211   58.284   32.545   48.222   59.176   62.647   38.967   56.431   24.002   60.836   21.055 -4.405315 31.92821 
1 1 1    4   40   14 o   81.757   17.834  103.528   35.386   19.574   64.600  139.519   42.296   51.796   23.408   94.545   18.577 -42.74973 29.88360 
1 1 1    4   40   15 o   69.526   23.637   86.513   49.051   0.0000   0.0000   86.513   49.051  ?   ?    69.526   23.637 0.000000 23.63737 
1 1 1    4   40   16 o  134.219   14.249  254.986   47.028  134.078   91.891  297.892   54.740   76.442   30.963  143.637   15.507 -67.19464 34.62889 
1 1 1    4   40   17 o   44.115   17.485   22.518   28.655 -57.6790   57.006   49.633   33.147   38.966   18.888   56.653   19.430 -17.68623 27.09751 
1 1 1    4   40   18 o   28.274   13.425 -24.6573   25.640 -14.0180   53.268 -27.8654   29.251   43.906   20.361   30.010   14.275 13.89610 24.86631 
1 1 1    4   40   19 o   56.473   21.443   47.392   41.701   48.960   58.408   45.762   59.557   58.785   24.344   58.122   24.366 0.6633263 34.44266 
1 1 1    4   40   20 o   41.999   17.132   16.630   28.370   7.0477   55.616   20.001   32.983   48.873   21.935   44.927   18.416 3.945881 28.64067 
1 1 1    4   40   21 o   44.703   18.330   19.396   32.688   0.0000   0.0000   19.396   32.688  ?   ?    44.703   18.330 0.000000 18.32991 
1 1 1    4   40   22 o   98.350   15.558  138.231   36.938  102.587   65.818  154.620   44.630   74.822   27.214  101.856   18.215 -27.03389 32.74694 
1 1 1    4   40   23 o   72.882   18.402   80.624   33.499   44.185   61.270   96.160   40.008   58.784   24.682   78.317   20.292 -19.53304 31.95269 
1 1 1    4   40   24 o   44.649   18.977   13.800   36.946   0.0000   0.0000   13.800   36.946  ?   ?    44.649   18.977 0.000000 18.97746 
1 1 1    4   40   25 o   64.867   18.927   64.243   32.558 -27.4452   57.324  107.904   39.557   43.937   20.619   84.153   19.242 -40.21615 28.20297 
1 1 1    4   40   26 o   75.354   18.379   85.590   34.276   76.957   58.242   90.164   42.395   68.024   25.447   75.115   21.506 -7.091324 33.31736 
1 1 1    4   40   27 o   57.635   19.287   49.535   32.653   18.888   53.523   67.703   41.209   51.475   22.368   65.455   21.659 -13.98000 31.13584 
1 1 1    4   40   28 o   46.678   18.159   25.723   30.415 -11.7646   49.458   48.522   38.570   43.683   20.025   57.470   20.843 -13.78625 28.90417 
1 1 1    4   40   29 o  116.401   14.653  189.214   41.649  127.440   64.473  233.455   54.562   84.137   27.043  126.479   17.765 -42.34253 32.35608 
1 1 1    4   40   30 f   53.937   18.559   42.059   30.255   32.792   45.418   49.452   40.567   53.040   21.661   57.959   21.321 -4.919693 30.39388 
1 1 1    4   40   31 o   61.827   22.258   59.243   43.871   0.0000   0.0000   59.243   43.871  ?   ?    61.827   22.258 0.000000 22.25755 
1 1 1    4   41    4 o   39.381   18.337   16.664   43.898  -1.4697   50.307   74.543   89.877   37.593   18.103   47.466   23.166 -9.873222 29.40062 
1 1 1    4   41    5 o   50.142   19.796   54.195   36.601 -10.1143   52.755  113.881   50.823   37.736   18.262   65.163   23.881 -27.42648 30.06342 
1 1 1    4   41    6 o   72.091   20.928  107.154   39.896  129.973   61.938   90.973   52.158   65.900   25.836   58.862   23.507 7.037640 34.92991 
1 1 1    4   41    7 o   43.294   18.559   28.267   35.886 -20.2182   54.201   66.109   47.884   38.156   18.476   53.997   22.168 -15.84089 28.85802 
1 1 1    4   41    8 o   58.766   22.228   75.301   44.707   56.853   64.278   92.587   62.221   51.752   23.372   59.414   24.906 -7.661770 34.15503 
1 1 1    4   41    9 o   63.304   20.941   78.622   38.523   54.687   65.499   91.281   47.633   52.404   23.637   64.604   23.199 -12.20001 33.11921 
1 1 1    4   41   10 o   37.277   16.789   4.1296   32.903   96.524   56.722 -42.7260   40.393   64.378   24.867   31.934   15.573 32.44405 29.34087 
1 1 1    4   41   11 o   36.942   16.610   2.9673   32.047  -5.7218   54.859   7.4689   39.486   42.403   19.984   40.620   18.334 1.782978 27.11994 
1 1 1    4   41   12 o   42.366   19.268   6.9643   44.622  -3.6296   57.163   23.488   71.391   43.734   20.545   50.271   23.400 -6.536556 31.13902 
1 1 1    4   41   13 o   45.835   18.402   29.296   32.150   58.235   58.412   16.719   38.508   56.375   23.907   43.317   18.896 13.05738 30.47295 
1 1 1    4   41   14 o   38.338   16.891   6.3741   31.461 -64.3638   59.292   34.095   37.117   37.548   18.428   48.625   19.684 -11.07661 26.96387 
1 1 1    4   41   15 o   30.961   14.526 -17.5784   28.424  -4.3991   56.291 -22.0887   32.930   44.536   20.746   32.536   15.379 11.99947 25.82499 
1 1 1    4   41   16 o   60.044   19.915   60.620   34.830  101.139   67.717   46.045   40.614   68.607   26.978   53.756   20.964 14.85099 34.16559 
1 1 1    4   41   17 o   53.527   20.200   45.100   36.865   0.0000   0.0000   45.100   36.865  ?   ?    53.527   20.200 0.000000 20.19990 
1 1 1    4   41   18 o   37.981   16.532   6.1785   29.334 -38.4068   59.800   20.307   33.663   41.512   19.925   44.169   18.401 -2.657196 27.12242 
1 1 1    4   41   19 o   72.887   18.802   84.848   34.447   27.444   66.904  105.555   40.183   53.552   24.045   80.340   20.083 -26.78754 31.32896 
1 1 1    4   41   20 o   93.986   17.331  133.972   39.177   35.294   71.615  176.113   46.801   55.977   25.023  107.154   18.137 -51.17673 30.90510 
1 1 1    4   41   21 o  115.162   15.048  191.284   42.239  118.583   75.284  224.684   51.027   74.792   28.712  122.593   17.137 -47.80136 33.43711 
1 1 1    4   41   22 o   77.191   18.831   93.622   35.976   16.507   65.181  127.408   43.144   52.018   23.510   89.536   19.820 -37.51782 30.74958 
1 1 1    4   41   23 o   97.334   16.840  140.869   39.449   78.032   69.381  170.889   47.955   65.639   26.785  105.246   18.943 -39.60755 32.80662 
1 1 1    4   41   24 o   69.966   18.929   77.064   33.875  131.991   61.039   52.618   40.721   83.857   26.237   57.866   21.350 25.99124 33.82630 
1 1 1    4   41   25 o   71.745   23.429   89.581   48.278   0.0000   0.0000   89.581   48.278  ?   ?    71.745   23.429 0.000000 23.42917 
1 1 1    4   41   26 o   79.550   18.770   98.209   36.685   21.532   61.718  140.100   45.618   52.718   23.420   94.337   19.986 -41.61915 30.78843 
1 1 1    4   41   27 o   81.065   18.502  101.223   36.629   61.400   61.013  123.663   45.800   61.784   25.154   87.240   21.226 -25.45592 32.91315 
1 1 1    4   41   28 o   27.923   13.413 -31.8063   27.219 -21.1077   46.813 -37.2705   33.455   40.166   18.780   30.851   14.833 9.315767 23.93136 
1 1 1    4   41   29 o   65.612   23.914   73.909   50.863   76.601   56.681   62.777  115.256   66.134   25.026   65.456   30.211 0.6787720 39.23001 
1 1 1    4   41   30 o   55.419   21.706   44.872   43.688   0.0000   0.0000   44.872   43.688  ?   ?    55.419   21.706 0.000000 21.70648 
1 1 1    4   42    8 o   47.267   19.560   47.065   37.673   38.151   61.089   52.536   47.858   44.940   21.152   47.799   20.952 -2.858650 29.77205 
1 1 1    4   42    9 o   31.057   14.935 -20.8219   33.949 -68.0192   58.568   3.0614   41.663   33.823   16.892   37.693   17.653 -3.870552 24.43354 
1 1 1    4   42   10 f   44.617   20.401   28.738   50.875   0.0000   0.0000   28.738   50.875  ?   ?    44.617   20.401 0.000000 20.40056 
1 1 1    4   42   11 o   69.103   21.292   97.531   40.374   47.547   70.969  121.447   49.091   49.598   23.168   73.307   23.601 -23.70842 33.07245 
1 1 1    4   42   12 o   42.439   18.307   23.233   35.331   12.012   63.656   28.228   42.473   44.916   21.276   44.883   19.704 0.3380585E-01 28.99880 
1 1 1    4   42   13 o  112.199   17.278  206.852   46.855  137.641   81.527  240.988   57.256   66.122   28.149  115.749   20.562 -49.62653 34.85946 
1 1 1    4   42   14 o   92.307   19.019  146.133   42.382  173.643   77.242  134.284   50.694   77.788   29.264   80.871   23.623 -3.083252 37.60920 
1 1 1    4   42   15 o   32.502   15.368 -18.4135   32.931 -27.0037   73.633 -16.2658   36.818   43.759   21.270   34.659   16.346 9.099861 26.82483 
1 1 1    4   42   16 o   55.694   19.853   55.021   34.822   78.110   64.805   45.648   41.290   59.582   25.220   51.734   20.825 7.847469 32.70629 
1 1 1    4   42   17 o   65.304   20.162   75.963   36.181   18.710   70.221   96.656   42.217   49.585   23.123   72.114   21.683 -22.52863 31.69926 
1 1 1    4   42   18 o   78.689   25.671  131.056   57.964   0.0000   0.0000  131.056   57.964  ?   ?    78.689   25.671 0.000000 25.67085 
1 1 1    4   42   19 o   82.890   18.592  112.284   37.536  114.808   70.600  111.289   44.319   69.774   27.511   78.483   21.822 -8.709274 35.11537 
1 1 1    4   42   20 o   47.643   18.772   32.727   32.849   14.262   62.732   39.703   38.557   48.801   22.438   50.839   20.240 -2.038105 30.21819 
1 1 1    4   42   21 o   55.976   19.681   52.198   34.112   45.935   64.999   54.579   40.075   55.169   24.294   56.530   21.116 -1.360237 32.18813 
1 1 1    4   42   22 o   47.786   20.939   22.281   47.765   50.256   59.777 -27.1278   79.442   55.995   23.977   47.244   22.750 8.751286 33.05284 
1 1 1    4   42   23 o   44.374   18.249   22.902   32.518 -45.9471   60.849   50.425   38.472   40.528   19.613   55.361   20.687 -14.83241 28.50674 
1 1 1    4   42   24 o   54.420   19.606   47.639   34.049 -14.3526   60.677   76.130   41.135   44.659   21.038   65.742   21.634 -21.08293 30.17677 
1 1 1    4   42   25 o   61.297   20.331   63.368   36.302  -9.8194   63.656   98.643   44.193   46.199   21.696   74.650   22.127 -28.45054 30.98855 
1 1 1    4   42   26 o   78.581   25.062  119.274   55.457   0.0000   0.0000  119.274   55.457  ?   ?    78.581   25.062 0.000000 25.06236 
1 1 1    4   42   27 o   40.003   17.426   8.4959   32.647   18.740   55.657   3.1223   40.310   49.269   22.040   41.538   18.656 7.731236 28.87561 
1 1 1    4   42   28 o  100.956   17.790  157.539   43.211   87.451   70.151  200.390   54.852   65.683   26.883  110.599   20.619 -44.91652 33.87999 
1 1 1    4   42   29 o   51.102   21.065   35.819   43.455   0.0000   0.0000   35.819   43.455  ?   ?    51.102   21.065 0.000000 21.06479 
1 1 1    4   43   12 o   55.213   22.733   82.093   50.541   0.0000   0.0000   82.093   50.541  ?   ?    55.213   22.733 0.000000 22.73350 
1 1 1    4   43   13 o   31.536   15.173 -20.9932   35.142 -35.2407   66.311 -15.4288   41.441   38.286   18.923   34.611   16.606 3.675308 25.17613 
1 1 1    4   43   14 o   49.547   19.939   49.209   37.843   69.565   70.193   40.868   44.932   51.686   23.754   46.818   20.417 4.867973 31.32268 
1 1 1    4   43   15 o   38.109   18.323 -15.0077   51.049 -77.0509   66.196   76.036   80.188   35.830   17.905   53.036   24.725 -17.20602 30.52675 
1 1 1    4   43   16 o   33.802   15.830  -8.9728   33.491 -41.1285   66.053   2.1545   38.856   39.128   19.252   37.942   17.522 1.185986 26.03216 
1 1 1    4   43   17 f   64.017   20.999   81.637   38.766   47.423   73.059   95.045   45.735   50.801   23.655   66.234   22.817 -15.43333 32.86580 
1 1 1    4   43   18 o   35.209   16.258  -4.1924   33.439  -2.5578   65.525  -4.7680   38.884   43.933   21.026   37.102   17.270 6.830379 27.20924 
1 1 1    4   43   19 o   35.300   16.298  -4.8452   33.579   9.7063   70.406  -9.1297   38.203   46.614   22.166   36.224   16.946 10.38982 27.90157 
1 1 1    4   43   20 o   54.832   21.702   57.912   44.087   0.0000   0.0000   57.912   44.087  ?   ?    54.832   21.702 0.000000 21.70183 
1 1 1    4   43   21 o   57.727   20.603   62.086   37.513   44.139   68.381   69.813   44.868   52.194   23.782   59.159   22.294 -6.964981 32.59782 
1 1 1    4   43   22 o   57.082   20.322   59.401   36.477  110.105   69.260   39.938   42.911   66.116   26.845   49.836   20.770 16.27965 33.94237 
1 1 1    4   43   23 o   42.815   19.893   1.0844   51.221   10.360   63.406 -16.3403   86.903   46.869   21.895   47.525   23.102 -0.6557922 31.82912 
1 1 1    4   43   24 o   71.369   20.868   92.631   39.542   64.888   69.633  105.834   48.038   56.932   25.104   72.870   23.335 -15.93830 34.27420 
1 1 1    4   43   25 o   38.271   17.195   3.6039   34.271   69.325   61.477 -26.0267   41.279   58.333   24.620   35.226   16.812 23.10730 29.81288 
1 1 1    4   43   26 f   38.186   17.172   3.0357   34.271   61.393   61.066 -23.7951   41.406   56.665   24.248   35.684   16.977 20.98115 29.60083 
1 1 1    4   43   27 o   81.410   20.715  116.806   42.215   97.407   69.964  127.912   52.938   64.416   26.657   79.711   24.352 -15.29451 36.10511 
1 1 1    4   43   28 o   72.092   25.627  113.473   57.986   0.0000   0.0000  113.473   57.986  ?   ?    72.092   25.627 0.000000 25.62720 
1 1 1    5  -36    0 o   45.536   20.590   21.480   50.068   6.8715   73.942   33.850   68.039   46.935   22.428   49.875   23.087 -2.940819 32.18768 
1 1 1    5  -35    0 o   47.198   20.719   22.645   46.949  -8.6457   68.868   49.815   64.173   46.581   22.083   55.402   24.274 -8.821846 32.81610 
1 1 1    5  -35    1 o   47.624   20.962   26.405   48.341   36.154   70.780   17.881   66.180   52.364   23.987   48.950   22.698 3.413540 33.02368 
1 1 1    5  -35    2 o   37.044   17.755 -25.8383   47.096   4.0729   68.122 -53.2238   65.183   46.320   21.961   39.297   19.293 7.022587 29.23202 
1 1 1    5  -34    0 o   43.011   15.855   24.712   22.448   27.680   24.235   6.7947   59.550   44.906   16.486   48.493   22.134 -3.587391 27.59852 
1 1 1    5  -34    1 o   60.294   22.942   63.865   47.800  104.639   69.557   27.379   65.799   70.006   27.398   52.739   23.748 17.26678 36.25739 
1 1 1    5  -34    2 o   28.233   14.119 -88.8460   41.536 -71.7127   59.035 -105.6425   58.452   36.995   18.202   33.816   16.887 3.178986 24.82914 
1 1 1    5  -34    3 o   73.717   24.504  110.465   52.723  124.020   73.223   95.871   75.975   71.055   28.017   64.010   27.210 7.045776 39.05593 
1 1 1    5  -34    4 o   51.093   21.991   41.783   50.752   94.854   71.215 -12.9865   72.346   62.573   26.459   45.427   21.834 17.14517 34.30449 
1 1 1    5  -33    0 o   36.711   14.434   13.460   19.381   13.421   20.675   13.746   55.669   37.328   14.834   50.450   22.336 -13.12238 26.81265 
1 1 1    5  -33    1 o   69.668   15.561   71.187   26.389   60.614   29.332  116.085   60.443   62.842   17.853   78.867   26.238 -16.02459 31.73559 
1 1 1    5  -33    2 o   36.516   14.643   12.892   20.332   11.014   21.474   29.148   63.169   36.227   14.856   53.841   23.817 -17.61406 28.07032 
1 1 1    5  -33    3 o   50.112   21.123   30.504   45.157   50.877   62.338   8.0102   65.502   57.490   24.548   49.760   22.897 7.730000 33.56917 
1 1 1    5  -33    4 o   42.553   19.296   2.6385   44.327   6.3414   60.552  -1.6373   65.068   47.674   21.966   47.451   22.171 0.2229347 31.21022 
1 1 1    5  -33    5 o   48.172   20.909   27.131   46.666   45.933   64.008   5.7963   68.181   54.514   24.052   48.328   22.618 6.185837 33.01599 
1 1 1    5  -32    0 o   66.783   18.358   65.700   31.564   65.187   32.138   79.686  167.809   66.420   18.624   77.304   35.947 -10.88443 40.48532 
1 1 1    5  -32    1 o   42.686   15.355   22.976   20.877   17.655   22.503   55.863   55.941   40.525   15.660   62.299   24.513 -21.77365 29.08809 
1 1 1    5  -32    2 o   50.265   16.169   36.047   23.045   41.163   24.965   6.5799   59.913   53.231   16.798   50.566   22.725 2.664967 28.26009 
1 1 1    5  -32    3 o   66.099   16.044   64.478   26.216   69.174   28.836   42.104   62.939   67.898   17.035   57.822   24.677 10.07529 29.98627 
1 1 1    5  -32    4 o   45.244   19.801   11.865   42.595   58.882   58.294 -41.9921   62.391   60.510   24.606   42.652   20.440 17.85839 31.98863 
1 1 1    5  -32    5 o   43.161   19.536   1.1211   45.199   11.868   65.371  -8.7225   62.563   50.633   23.141   46.686   21.789 3.946808 31.78480 
1 1 1    5  -32    6 o   44.701   21.004 -12.7687   59.799 -12.7687   59.799   0.0000   0.0000   44.701   21.004  ?   ?  0.000000 21.00375 
1 1 1    5  -32    7 o   33.073   16.091 -47.5159   42.403 -17.4672   57.695 -82.8136   62.531   42.770   20.258   36.987   18.298 5.782757 27.29881 
1 1 1    5  -31    0 o   81.620   14.799   91.112   29.053  107.765   33.357   38.791   59.127   88.500   15.667   60.778   24.756 27.72239 29.29665 
1 1 1    5  -31    1 o   99.495   13.204  132.979   31.997  123.768   36.315  164.947   67.654   94.458   15.964  101.268   26.460 -6.810020 30.90338 
1 1 1    5  -31    2 o  125.020   17.456  221.008   53.010  219.834   55.386  233.825  182.951  123.853   18.473   95.760   41.482 28.09245 45.40948 
1 1 1    5  -31    3 o   67.883   16.502   66.594   27.702   81.584   30.904   5.3091   62.487   75.078   16.892   52.093   23.324 22.98497 28.79880 
1 1 1    5  -31    4 o   60.140   24.816   47.856   60.384   0.0000   0.0000   47.856   60.384  ?   ?    60.140   24.816 0.000000 24.81574 
1 1 1    5  -31    5 o   41.884   15.920   20.905   23.001   20.905   23.001   0.0000   0.0000   41.884   15.920  ?   ?  0.000000 15.91972 
1 1 1    5  -31    6 o   43.051   19.099   4.8845   40.905   38.057   56.601 -31.3804   59.181   55.263   23.489   43.121   20.451 12.14221 31.14458 
1 1 1    5  -31    7 o   43.862   19.421   8.3924   42.099  -2.9927   56.896   22.168   62.584   46.187   21.285   52.098   23.333 -5.910900 31.58341 
1 1 1    5  -31    8 o   82.856   23.636  125.301   51.302  130.639   70.747  119.382   74.504   77.084   28.187   73.003   28.415 4.080925 40.02383 
1 1 1    5  -31    9 o   51.197   21.462   37.684   46.206   62.330   64.026   10.898   66.750   58.483   24.923   49.191   22.805 9.292095 33.78144 
1 1 1    5  -30    0 o   60.822   15.473   50.648   23.557   51.532   26.344   47.119   52.622   61.174   16.753   63.068   24.054 -1.894180 29.31257 
1 1 1    5  -30    1 o  141.529   11.212  259.931   39.300  259.548   46.617  260.874   73.067  140.265   13.475  134.582   22.538 5.683136 26.25910 
1 1 1    5  -30    2 o  122.965   12.712  199.639   38.471  231.175   45.643  122.272   71.491  131.609   14.108   87.478   28.508 44.13111 31.80790 
1 1 1    5  -30    3 o  158.604   16.822  346.391   65.610  315.310   70.197  561.190  184.536  149.143   19.301  161.059   44.435 -11.91501 48.44594 
1 1 1    5  -30    4 o   84.181   16.216   99.605   32.852   99.605   32.852   0.0000   0.0000   84.181   16.216  ?   ?  0.000000 16.21578 
1 1 1    5  -30    5 o   86.257   14.313  102.889   29.748  110.624   33.541   74.366   64.406   88.658   15.726   69.150   26.554 19.50772 30.86134 
1 1 1    5  -30    6 o   48.298   16.057   32.360   22.638   37.291   24.466   3.0178   59.682   51.265   16.676   50.283   22.632 0.9825211 28.11188 
1 1 1    5  -30    7 o   56.494   21.494   46.197   41.956   99.352   56.655 -18.3596   62.436   75.098   25.404   46.806   21.819 28.29263 33.48789 
1 1 1    5  -30    8 o   48.667   20.463   24.065   42.208   25.789   57.748   22.087   61.845   52.806   23.084   52.908   23.477 -0.1020813 32.92513 
1 1 1    5  -30    9 o   41.476   18.727  -0.7820   41.239 -10.7898   55.283   11.774   61.922   44.473   20.665   50.160   22.768 -5.686378 30.74759 
1 1 1    5  -30   10 o   36.031   17.040 -24.9457   40.519  -1.6831   54.903 -52.7706   60.046   45.291   20.886   39.782   19.307 5.509525 28.44217 
1 1 1    5  -29    0 o   90.893   12.942  108.268   28.546  107.576   33.111  110.273   56.343   89.789   15.317   87.655   24.688 2.133209 29.05356 
1 1 1    5  -29    1 o  135.696   16.440  245.456   54.570  294.320   77.167  196.576   77.180  145.421   21.931  115.140   27.264 30.28111 34.99025 
1 1 1    5  -29    2 o   44.308   15.651   23.339   21.594   21.589   23.574   32.459   53.818   44.155   16.252   59.156   23.788 -15.00111 28.81003 
1 1 1    5  -29    3 o  106.700   12.562  149.605   32.831  160.124   37.495  115.034   67.975  109.799   13.993   86.741   27.756 23.05822 31.08364 
1 1 1    5  -29    4 f   97.663   13.547  127.280   32.148  164.919   36.875   8.0665   65.626  111.367   13.538   56.078   24.559 55.28927 28.04325 
1 1 1    5  -29    5 o   69.143   17.987   68.251   31.353   64.935   31.869  168.211  174.952   67.329   18.421   93.433   40.520 -26.10335 44.51023 
1 1 1    5  -29    6 o   56.962   15.938   45.688   23.563   54.866   25.822  -0.0065   57.618   62.169   16.397   50.512   22.522 11.65712 27.85885 
1 1 1    5  -29    7 f   29.490   12.859  -1.1619   17.819  -0.4227   18.852  -7.3630   54.601   30.583   13.282   47.356   21.449 -16.77267 25.22880 
1 1 1    5  -29    8 o   39.970   15.509   16.906   22.141   8.6388   23.787   70.496   60.562   37.167   15.475   66.789   25.724 -29.62116 30.01975 
1 1 1    5  -29    9 o   59.834   21.673   54.967   41.686   87.458   56.689   16.714   61.511   71.032   25.330   52.705   23.399 18.32677 34.48341 
1 1 1    5  -29   10 o   37.120   17.279 -18.7261   38.930   3.5197   53.953 -42.8889   56.229   47.280   21.377   40.620   19.450 6.659489 28.90140 
1 1 1    5  -29   11 o   92.984   21.774  144.186   49.669  147.460   69.591  140.787   70.914   84.835   28.150   82.213   28.407 2.621704 39.99194 
1 1 1    5  -29   12 o   54.582   22.616   44.712   50.455  118.834   68.288 -44.3963   74.873   74.444   27.612   45.005   21.774 29.43890 35.16405 
1 1 1    5  -28    0 o  339.636   12.715  1475.61  107.843  1452.80  146.880  1502.29  158.848  332.854   17.735  337.374   18.931 -4.519989 25.94054 
1 1 1    5  -28    1 o  150.470   11.603  290.489   43.262  327.560   53.883  223.244   72.571  159.021   13.703  126.387   23.869 32.63381 27.52236 
1 1 1    5  -28    2 o   44.460   19.066   2.2163   37.896   27.229   52.108 -25.8641   55.211   57.895   23.363   46.837   21.352 11.05817 31.65025 
1 1 1    5  -28    3 o   73.462   14.022   72.045   24.785   68.560   27.098   89.891   61.313   71.146   15.675   79.774   26.420 -8.628532 30.72064 
1 1 1    5  -28    4 o   41.697   14.949   19.924   19.771   21.574   21.296   9.6281   53.194   43.260   15.514   52.997   22.654 -9.737095 27.45735 
1 1 1    5  -28    5 o   63.293   15.187   54.801   23.697   56.130   26.118   48.610   56.363   63.803   16.325   64.283   24.800 -0.4798813 29.69090 
1 1 1    5  -28    6 o   37.007   14.539   11.786   19.650   19.067   21.132 -34.7086   53.400   41.536   15.369   43.397   20.213 -1.861530 25.39222 
1 1 1    5  -28    7 o   30.294   13.326  -3.2676   19.511  -4.1638   19.629   70.407  177.970   30.067   13.290   82.878   37.991 -52.81068 40.24810 
1 1 1    5  -28    8 o   50.503   15.844   35.005   22.241   34.238   24.209   39.156   56.314   50.297   16.599   59.413   24.175 -9.116627 29.32516 
1 1 1    5  -28    9 f  123.145   12.954  204.178   39.238  272.671   45.607   9.0513   76.979  142.452   12.963   57.104   25.702 85.34775 28.78622 
1 1 1    5  -28   10 o   77.928   15.345   86.296   28.799  100.893   32.471   32.491   62.341   83.950   16.075   57.167   24.483 26.78294 29.28828 
1 1 1    5  -28   11 o   51.516   22.647   17.511   56.275   17.511   56.275   0.0000   0.0000   51.516   22.647  ?   ?  0.000000 22.64703 
1 1 1    5  -28   12 o   71.245   23.779   88.606   49.632  161.047   67.933   5.6621   72.690   91.954   27.474   52.424   24.122 39.52999 36.56080 
1 1 1    5  -28   13 o   39.753   18.429 -13.7297   43.591 -13.5748   59.798 -13.9054   63.677   45.411   21.230   46.476   21.785 -1.064701 30.41912 
1 1 1    5  -27    0 o  169.368   10.269  364.377   43.226  368.739   55.233  357.483   69.438  169.467   13.155  165.311   17.066 4.156372 21.54772 
1 1 1    5  -27    1 o  142.392   18.643  269.034   64.699   0.0000   0.0000  269.034   64.699  ?   ?   142.392   18.643 0.000000 18.64320 
1 1 1    5  -27    2 o  143.535   13.494  266.212   47.800  266.212   47.800   0.0000   0.0000  143.535   13.494  ?   ?  0.000000 13.49405 
1 1 1    5  -27    3 o   99.807   11.986  128.873   29.277  140.462   34.035   95.898   57.411  103.811   13.445   82.793   25.371 21.01791 28.71315 
1 1 1    5  -27    4 o   82.182   20.299   93.572   41.414  121.132   55.776   59.708   61.827   92.350   23.975   70.455   26.245 21.89530 35.54718 
1 1 1    5  -27    5 o   62.459   15.004   52.701   23.109   56.321   25.586   36.672   53.839   64.401   15.985   61.044   24.039 3.356644 28.86810 
1 1 1    5  -27    6 o   99.767   12.526  130.208   30.520  153.903   35.223   58.829   61.135  108.284   13.306   69.076   26.025 39.20796 29.22963 
1 1 1    5  -27    7 o  120.759   11.881  189.894   35.364  205.712   41.359  146.892   68.194  125.024   13.460   98.296   26.968 26.72732 30.14028 
1 1 1    5  -27    8 o  132.695   17.052  240.298   55.197  239.774   57.761  245.813  187.353  131.930   18.002  108.088   44.051 23.84140 47.58748 
1 1 1    5  -27    9 o   66.203   16.060   61.293   26.279   77.631   29.431  -2.9668   58.368   74.572   16.262   50.856   22.673 23.71589 27.90192 
1 1 1    5  -27   10 o   39.246   15.225   15.172   21.336   9.3056   22.391   73.059   70.336   37.125   15.191   70.719   27.586 -33.59378 31.49156 
1 1 1    5  -27   11 o   56.511   16.578   45.699   24.919   40.349   26.900   78.063   66.159   53.530   17.489   70.429   26.945 -16.89870 32.12288 
1 1 1    5  -27   12 o   73.363   23.224   87.652   47.688  158.525   66.136   10.896   68.826   95.414   26.704   54.246   24.370 41.16886 36.15204 
1 1 1    5  -27   13 o   50.273   21.087   25.394   44.646   38.539   60.703   9.9052   65.893   57.084   24.296   52.380   23.659 4.704475 33.91197 
1 1 1    5  -27   14 o   93.745   22.998  148.191   53.431  226.607   75.850   70.956   75.278  110.320   27.601   64.555   27.245 45.76510 38.78288 
1 1 1    5  -27   15 o   62.516   23.401   67.906   49.273   69.224   70.111   66.621   69.260   62.652   26.360   62.049   26.157 0.6029892 37.13541 
1 1 1    5  -26    0 o  250.596   25.708  851.028  158.597   0.0000   0.0000  851.028  158.597  ?   ?   250.596   25.708 0.000000 25.70770 
1 1 1    5  -26    1 o   88.758   14.509  103.283   31.048  103.283   31.048   0.0000   0.0000   88.758   14.509  ?   ?  0.000000 14.50946 
1 1 1    5  -26    2 o  269.585   11.326  922.263   76.245  967.649  102.574  866.222  113.978  274.083   15.044  257.687   17.822 16.39624 23.32269 
1 1 1    5  -26    3 o  191.577   10.725  466.710   51.105  506.285   65.286  404.094   82.122  198.635   13.238  174.777   19.128 23.85777 23.26193 
1 1 1    5  -26    4 o   40.419   14.550   17.967   18.747   27.121   20.354 -33.2405   48.140   46.555   15.213   42.233   19.504 4.322136 24.73535 
1 1 1    5  -26    5 o  147.389   10.793  277.482   39.448  305.345   48.008  219.563   69.216  154.040   12.590  126.137   22.814 27.90367 26.05755 
1 1 1    5  -26    6 o  144.671   15.956  275.321   56.685  439.811   78.684   97.842   81.732  182.345   17.495   84.796   30.395 97.54889 35.07051 
1 1 1    5  -26    7 o  127.841   11.820  211.009   37.307  244.723   44.515  131.450   68.382  137.235   13.150   94.609   27.380 42.62650 30.37391 
1 1 1    5  -26    8 o   83.382   14.251   92.726   28.608  112.656   32.668   27.173   59.246   91.913   14.731   59.688   24.599 32.22541 28.67250 
1 1 1    5  -26    9 o  165.516   11.659  354.859   47.882  404.528   57.579  243.509   86.211  175.893   13.205  126.440   28.039 49.45232 30.99290 
1 1 1    5  -26   10 o  170.841   16.971  396.409   71.444  364.310   75.673  659.751  216.746  162.061   19.063  175.878   48.007 -13.81651 51.65326 
1 1 1    5  -26   11 o   63.302   16.279   56.229   25.878   55.287   28.340   60.953   63.467   62.505   17.476   67.637   26.254 -5.132355 31.53848 
1 1 1    5  -26   12 o   34.532   14.403   5.8007   20.657   2.9246   21.991   27.367   60.218   34.252   14.602   57.208   24.268 -22.95625 28.32228 
1 1 1    5  -26   13 o   41.929   15.823   20.078   22.621   26.454   24.508 -16.6073   58.787   45.773   16.613   47.080   21.674 -1.306339 27.30858 
1 1 1    5  -26   14 o   53.293   21.459   34.165   43.860   89.268   61.232 -23.8991   62.856   72.161   26.248   46.633   21.790 25.52815 34.11370 
1 1 1    5  -26   15 o   93.153   22.467  142.010   51.658  105.972   71.503  181.355   74.712   74.614   28.138   97.389   28.744 -22.77525 40.22452 
1 1 1    5  -26   16 o   52.154   21.694   33.264   46.681   48.624   66.040   17.927   65.992   58.842   25.200   52.749   23.765 6.093090 34.63794 
1 1 1    5  -25    0 o  272.015   11.797  937.435   80.134  1054.44  109.787  804.024  117.234  286.657   15.393  248.404   19.044 38.25276 24.48745 
1 1 1    5  -25    1 o  281.930   11.841  1007.67   83.362  1113.39  114.252  887.320  121.903  294.340   15.600  260.963   18.833 33.37735 24.45446 
1 1 1    5  -25    2 o  137.153   14.783  243.271   49.831  254.295   57.747  211.124   98.610  139.538   16.918  120.904   32.117 18.63332 36.30072 
1 1 1    5  -25    3 o  141.539   10.536  254.778   36.972  299.842   46.232  174.827   61.580  153.158   12.189  113.229   22.571 39.92876 25.65144 
1 1 1    5  -25    4 o  201.372   10.759  515.038   53.908  568.664   70.127  437.572   84.286  210.662   13.400  182.394   18.773 28.26790 23.06536 
1 1 1    5  -25    5 o  158.135   11.581  319.351   45.413  394.073   57.048  190.077   75.036  175.217   13.134  116.152   26.461 59.06452 29.54071 
1 1 1    5  -25    6 o   90.912   12.786  107.470   28.225  154.170   32.885 -23.1659   55.001  109.334   12.256   47.664   21.564 61.66999 24.80340 
1 1 1    5  -25    7 o   48.164   19.174   18.066   34.598   63.642   46.476 -38.5909   51.818   69.479   23.002   43.142   20.033 26.33617 30.50276 
1 1 1    5  -25    8 o  123.723   11.445  196.847   34.959  245.600   42.012   87.096   63.034  138.007   12.320   79.677   26.797 58.32934 29.49334 
1 1 1    5  -25    9 o  213.302   11.346  583.256   60.217  577.981   74.327  593.331  102.721  210.794   14.203  209.678   19.855 1.116211 24.41166 
1 1 1    5  -25   10 o  142.287   11.107  260.882   39.151  237.162   46.031  322.917   74.441  134.441   13.912  153.521   19.885 -19.08037 24.26829 
1 1 1    5  -25   11 o  109.116   18.438  164.348   48.450  164.348   48.450   0.0000   0.0000  109.116   18.438  ?   ?  0.000000 18.43807 
1 1 1    5  -25   12 f   74.866   15.511   77.078   28.046   82.829   30.917   50.360   66.643   77.249   16.527   66.126   26.514 11.12359 31.24253 
1 1 1    5  -25   13 o   66.496   16.154   62.100   26.559   66.475   29.463   43.131   61.351   68.417   17.249   62.151   25.255 6.266640 30.58331 
1 1 1    5  -25   14 o   31.348   13.616  -0.5399   19.814  -2.5618   21.113   14.395   57.380   31.568   13.875   53.203   23.139 -21.63503 26.98009 
1 1 1    5  -25   15 o   83.458   22.556  110.427   48.127  136.622   68.184   84.419   67.940   88.070   27.758   71.608   27.326 16.46204 38.95189 
1 1 1    5  -25   16 o   49.944   20.816   24.455   43.103   42.212   61.089   6.8507   60.827   58.594   24.626   50.961   22.901 7.633289 33.62895 
1 1 1    5  -25   17 o   39.709   18.366 -15.6699   42.929 -39.4930   61.323   7.2257   60.117   43.118   20.554   50.036   22.599 -6.917686 30.54858 
1 1 1    5  -25   18 o   60.769   23.154   61.092   48.727  104.335   70.646   21.850   67.298   72.189   27.789   53.456   24.049 18.73304 36.74987 
1 1 1    5  -24    0 o   48.337   14.490   30.110   18.873   33.274   19.653  -7.4243   67.688   50.566   14.691   57.098   24.976 -6.532436 28.97582 
1 1 1    5  -24    1 o  129.464   9.7587  212.437   31.318  193.336   39.377  245.320   51.665  122.737   13.047  137.784   15.273 -15.04771 20.08703 
1 1 1    5  -24    2 o  214.767   10.251  582.182   54.977  606.246   73.601  551.807   82.690  217.875   13.596  206.877   16.134 10.99763 21.09833 
1 1 1    5  -24    3 o  109.812   10.399  153.624   28.175  156.915   34.342  146.846   49.280  110.468   12.679  104.808   19.548 5.659798 23.29973 
1 1 1    5  -24    4 o  346.857   17.334  1552.72  150.139  1389.55  201.775  1755.14  224.734  321.456   25.341  361.763   25.031 -40.30734 35.61909 
1 1 1    5  -24    5 o  123.822   10.626  195.330   32.538  214.849   39.638  155.002   56.975  129.452   12.414  106.674   22.114 22.77759 25.36057 
1 1 1    5  -24    6 o  230.504   11.104  673.491   63.917  751.050   84.384  569.099   97.898  241.964   14.026  208.136   19.047 33.82829 23.65365 
1 1 1    5  -24    7 o  165.359   10.690  347.864   43.908  403.681   55.173  251.458   72.510  177.589   12.521  136.251   22.066 41.33875 25.37091 
1 1 1    5  -24    8 o   43.700   15.053   22.633   19.907   30.780   21.563 -24.3800   51.800   49.125   15.623   45.854   20.818 3.270767 26.02846 
1 1 1    5  -24    9 o  137.412   15.913  247.645   53.593  196.600   73.232  306.507   78.640  117.896   25.607  150.272   21.575 -32.37600 33.48463 
1 1 1    5  -24   10 f  173.848   10.230  385.249   44.217  309.568   53.075  556.933   79.940  154.403   13.915  206.493   15.618 -52.08968 20.91759 
1 1 1    5  -24   11 f  230.206   11.270  677.669   64.787  653.008   81.060  721.285  107.801  223.792   14.584  232.102   18.759 -8.310883 23.76180 
1 1 1    5  -24   12 o  224.888   12.252  654.006   68.547  698.440   82.311  553.462  123.818  230.969   14.342  195.587   25.995 35.38304 29.68874 
1 1 1    5  -24   13 o  101.121   18.655  142.255   45.372  142.255   45.372   0.0000   0.0000  101.121   18.655  ?   ?  0.000000 18.65518 
1 1 1    5  -24   14 o  177.864   11.920  413.240   52.639  423.164   62.204  388.210   98.793  178.471   14.071  160.654   25.476 17.81725 29.10340 
1 1 1    5  -24   15 o  187.416   12.153  462.607   56.572  490.414   67.350  395.975  104.255  191.196   14.208  157.966   27.424 33.22990 30.88561 
1 1 1    5  -24   16 o   78.651   15.756   87.222   29.866   87.508   33.537   86.129   65.656   77.702   17.682   73.140   27.085 4.561165 32.34573 
1 1 1    5  -24   17 o  102.090   21.041  159.925   51.858  210.769   74.397  111.875   72.324  110.784   27.113   78.761   28.545 32.02316 39.36905 
1 1 1    5  -24   18 o   61.380   22.721   58.510   46.196   21.529   66.097   93.826   64.592   54.787   24.293   72.449   26.858 -17.66201 36.21420 
1 1 1    5  -24   19 o   78.560   23.990  107.782   51.384  131.529   75.084   86.864   70.470   80.346   29.090   68.690   27.358 11.65616 39.93356 
1 1 1    5  -23    0 o  214.732   14.170  588.356   75.555  618.122  105.843  557.430  107.887  218.008   19.653  206.251   21.251 11.75739 28.94595 
1 1 1    5  -23    1 o  151.803   10.333  291.854   38.939  274.368   46.175  334.897   72.448  146.620   12.738  160.340   18.429 -13.72031 22.40276 
1 1 1    5  -23    2 o  236.449   10.453  705.341   61.722  727.567   84.120  679.419   90.844  238.721   14.175  229.999   15.915 8.721832 21.31184 
1 1 1    5  -23    3 o  188.300   9.4034  446.577   44.216  431.873   58.306  466.478   67.833  184.087   12.762  190.856   14.337 -6.769440 19.19473 
1 1 1    5  -23    4 o  239.530   10.603  724.598   63.420  733.157   85.638  714.203   94.375  239.396   14.392  235.545   16.142 3.851547 21.62630 
1 1 1    5  -23    5 o  136.121   9.7642  234.851   32.970  195.283   40.495  312.651   56.783  123.215   13.376  155.799   14.771 -32.58364 19.92749 
1 1 1    5  -23    6 o   72.485   17.018   70.287   30.278   82.280   32.129 -24.8930   90.513   78.537   16.884   62.534   28.030 16.00311 32.72273 
1 1 1    5  -23    7 o  216.623   10.521  593.424   56.914  633.978   74.451  536.404   88.282  222.629   13.455  202.983   17.590 19.64636 22.14631 
1 1 1    5  -23    8 o  135.285   10.707  233.102   35.877  229.029   42.739  242.817   66.015  133.476   12.987  134.861   20.226 -1.385498 24.03644 
1 1 1    5  -23    9 o  125.335   10.507  200.276   32.581  187.121   38.230  235.188   62.279  120.483   12.908  132.886   19.335 -12.40352 23.24721 
1 1 1    5  -23   10 o   40.305   14.829   16.977   19.625   3.7438   21.226   94.927   51.517   34.911   14.584   82.788   23.708 -47.87718 27.83486 
1 1 1    5  -23   11 o  336.746   18.499  1493.82  154.963  1544.86  218.758  1442.41  219.545  333.571   26.480  320.803   27.676 12.76797 38.30323 
1 1 1    5  -23   12 o  236.400   11.176  712.744   65.975  673.632   82.747  780.995  109.308  227.708   14.629  242.751   18.163 -15.04349 23.32230 
1 1 1    5  -23   13 o  206.499   12.258  549.942   62.929  558.813   75.239  529.291  114.802  206.759   14.668  193.996   24.226 12.76280 28.32002 
1 1 1    5  -23   14 f   54.011   16.520   39.151   24.354   35.818   26.270   59.530   64.952   52.443   17.290   69.620   26.683 -17.17691 31.79503 
1 1 1    5  -23   15 o   69.063   16.504   66.192   28.075   65.832   30.962   67.858   66.573   68.472   17.905   71.323   27.090 -2.851723 32.47252 
1 1 1    5  -23   16 o   73.378   15.532   74.575   27.573   55.025   30.775  154.141   62.084   62.298   18.464  100.041   24.939 -37.74320 31.03009 
1 1 1    5  -23   17 o  176.025   11.962  408.817   52.270  421.558   62.298  378.521   96.066  176.825   14.229  155.638   25.608 21.18698 29.29584 
1 1 1    5  -23   18 o   76.009   22.457   90.905   45.582   60.148   64.674  121.264   64.254   65.155   26.121   84.125   26.993 -18.97070 37.56183 
1 1 1    5  -23   19 o   44.258   19.476   4.6813   41.708  -0.7986   61.281   9.4103   56.928   49.926   22.658   50.574   22.479 -0.6474915 31.91653 
1 1 1    5  -23   20 o   61.212   22.959   58.806   47.475   54.104   69.833   62.847   64.736   61.719   26.155   63.344   25.864 -1.625217 36.78345 
1 1 1    5  -23   21 o  140.066   19.266  301.600   65.604  352.723   95.297  255.546   90.450  136.915   28.786  110.624   31.324 26.29106 42.54159 
1 1 1    5  -22    0 o  223.820   10.450  630.926   58.410  691.489   80.689  564.252   84.662  233.143   13.923  209.785   16.289 23.35791 21.42812 
1 1 1    5  -22    1 o  124.106   9.7528  194.999   29.982  201.566   38.940  185.438   46.987  125.630   12.581  119.570   16.149 6.060387 20.47185 
1 1 1    5  -22    2 o  462.695   22.360  2788.99  258.353  2736.01  364.779  2842.30  365.957  446.691   32.934  456.033   32.345 -9.341736 46.16126 
1 1 1    5  -22    3 o  180.911   9.3290  412.926   42.002  415.277   55.569  409.793   64.151  180.717   12.388  178.926   14.482 1.791809 19.05748 
1 1 1    5  -22    4 o  155.754   10.091  307.037   39.039  351.830   51.309  245.457   60.160  166.211   12.452  137.073   18.012 29.13812 21.89700 
1 1 1    5  -22    5 o   64.433   12.480   54.349   19.354   55.195   22.499   51.941   37.959   64.623   14.319   63.915   20.770 0.7076569 25.22741 
1 1 1    5  -22    6 o  169.452   9.9984  363.356   42.121  374.384   54.772  347.395   65.895  171.267   12.901  163.870   16.320 7.396729 20.80342 
1 1 1    5  -22    7 o   94.823   14.812  117.383   33.927  101.778   36.475  217.514   92.393   87.506   17.305  123.959   30.140 -36.45348 34.75423 
1 1 1    5  -22    8 o  166.550   9.8026  351.165   40.590  322.466   50.741  402.165   67.641  158.766   12.910  176.536   15.500 -17.76985 20.17256 
1 1 1    5  -22    9 o  126.886   10.540  204.941   33.094  190.161   39.678  238.730   59.992  121.500   13.294  134.609   18.323 -13.10818 22.63812 
1 1 1    5  -22   10 o  146.740   10.446  273.746   38.026  258.314   46.145  306.401   67.124  141.767   13.186  152.765   17.937 -10.99738 22.26207 
1 1 1    5  -22   11 o  234.168   11.018  695.472   64.431  641.263   82.704  779.172  102.767  222.955   14.941  244.776   16.916 -21.82155 22.56978 
1 1 1    5  -22   12 o  132.926   16.309  231.895   53.002  325.009   74.810  138.047   75.104  156.128   19.621   98.105   28.781 58.02248 34.83298 
1 1 1    5  -22   13 o  229.006   11.730  670.593   66.857  669.671   84.478  672.137  109.371  227.181   14.975  224.565   19.702 2.615982 24.74744 
1 1 1    5  -22   14 o   83.580   14.577   92.848   29.318   99.983   33.128   67.069   62.968   86.339   15.953   72.783   26.596 13.55619 31.01321 
1 1 1    5  -22   15 o  100.092   13.296  131.674   32.410  141.843   37.284  100.230   65.561  103.323   14.879   83.131   27.310 20.19163 31.10052 
1 1 1    5  -22   16 o  157.592   18.647  339.724   71.961  339.724   71.961   0.0000   0.0000  157.592   18.647  ?   ?  0.000000 18.64720 
1 1 1    5  -22   17 o  155.106   11.692  313.694   44.953  293.647   53.167  363.953   84.185  148.348   14.539  159.438   21.708 -11.09029 26.12730 
1 1 1    5  -22   18 o  178.091   11.874  416.409   52.505  453.745   62.838  330.057   95.566  184.428   13.743  144.186   27.546 40.24146 30.78399 
1 1 1    5  -22   19 o  175.701   11.801  408.160   51.477  397.852   61.198  433.096   95.184  171.117   14.457  168.545   23.233 2.572372 27.36345 
1 1 1    5  -22   20 o   32.434   15.673 -49.0221   38.495   2.5124   58.290 -88.8821   51.264   50.052   22.461   34.072   16.802 15.97977 28.04985 
1 1 1    5  -22   21 o   50.048   20.923   24.467   43.734   36.158   65.227   14.919   58.948   57.803   24.904   51.942   22.990 5.861122 33.89374 
1 1 1    5  -22   22 o   55.291   23.933   32.794   60.805   0.0000   0.0000   32.794   60.805  ?   ?    55.291   23.933 0.000000 23.93306 
1 1 1    5  -21    0 f  983.801   31.362 12913.09  770.480 13297.20  1089.45 12528.74  1089.80  965.568   45.183  931.923   46.980 33.64478 65.18143 
1 1 1    5  -21    1 o  291.026   11.000  1066.96   79.942  995.772  111.189  1143.13  115.020  279.340   16.006  299.580   15.427 -20.23990 22.23057 
1 1 1    5  -21    2 o  261.421   10.710  860.911   69.916  867.870   97.007  853.388  100.857  260.980   14.947  258.520   15.697 2.459656 21.67522 
1 1 1    5  -21    3 o  223.660   10.296  629.995   57.507  675.255   79.063  579.154   83.797  230.376   13.807  212.633   15.896 17.74199 21.05521 
1 1 1    5  -21    4 o  135.728   12.757  235.176   42.732  142.595   58.522  340.912   62.542  102.608   23.363  162.866   15.567 -60.25735 28.07443 
1 1 1    5  -21    5 o  260.530   10.613  855.998   69.046  823.200   94.772  893.099  100.798  253.812   15.020  264.274   15.340 -10.46181 21.46843 
1 1 1    5  -21    6 o  321.960   12.210  1312.20   98.171  1371.19  136.228  1248.47  141.596  326.761   16.751  310.911   18.318 15.84930 24.82279 
1 1 1    5  -21    7 o  357.479   12.662  1620.28  113.030  1573.19  156.660  1671.39  163.239  349.105   18.032  359.731   18.231 -10.62589 25.64219 
1 1 1    5  -21    8 o  196.522   10.153  488.446   49.658  486.144   64.862  491.707   77.191  195.143   13.391  195.372   15.961 -0.2287445 20.83467 
1 1 1    5  -21    9 o  201.424   15.817  522.702   78.918  571.643   97.574  430.128  134.197  209.368   18.865  174.573   31.961 34.79536 37.11365 
1 1 1    5  -21   10 o  157.254   10.420  313.745   40.687  280.078   50.826  373.815   67.891  147.594   13.956  169.906   16.197 -22.31232 21.38023 
1 1 1    5  -21   11 o   58.737   14.457   45.823   21.063   39.608   23.514   71.059   47.383   54.960   16.098   73.267   23.145 -18.30626 28.19319 
1 1 1    5  -21   12 o  203.697   10.273  526.044   52.088  435.140   65.410  683.604   86.115  183.859   14.361  230.364   15.052 -46.50410 20.80388 
1 1 1    5  -21   13 o  125.454   11.052  201.142   34.271  176.163   40.725  261.760   63.441  116.419   14.310  140.607   18.519 -24.18781 23.40315 
1 1 1    5  -21   14 o  297.359   17.158  1154.55  126.866  1138.38  179.446  1170.71  179.385  288.156   25.191  292.659   24.778 -4.503571 35.33469 
1 1 1    5  -21   15 o  129.898   11.342  216.648   36.423  187.676   42.213  301.060   72.055  119.812   14.397  149.514   19.785 -29.70223 24.46856 
1 1 1    5  -21   16 o  129.806   11.648  217.396   37.356  183.854   43.222  316.436   74.268  118.025   15.004  152.516   19.981 -34.49095 24.98701 
1 1 1    5  -21   17 o  101.943   13.287  136.839   33.020  117.340   37.536  203.563   69.438   92.871   16.804  118.564   24.270 -25.69339 29.51930 
1 1 1    5  -21   18 o  158.741   18.933  347.664   73.571  347.664   73.571   0.0000   0.0000  158.741   18.933  ?   ?  0.000000 18.93310 
1 1 1    5  -21   19 o  128.465   11.971  216.830   37.960  186.469   44.146  302.963   74.357  117.142   15.470  145.124   21.139 -27.98166 26.19472 
1 1 1    5  -21   20 o   86.636   15.047  103.668   31.372  123.223   36.207   44.779   62.833   94.074   15.985   62.159   25.442 31.91476 30.04648 
1 1 1    5  -21   21 o   62.602   16.924   56.798   27.089   43.297   30.627  105.321   58.062   55.270   18.678   79.596   25.672 -24.32603 31.74760 
1 1 1    5  -21   22 o   57.015   24.015   36.195   58.299   0.0000   0.0000   36.195   58.299  ?   ?    57.015   24.015 0.000000 24.01502 
1 1 1    5  -21   23 o   73.665   23.660   91.979   49.360  122.369   74.823   68.563   65.678   79.186   28.983   65.025   26.233 14.16193 39.09184 
1 1 1    5  -21   24 o   80.416   24.061  114.148   52.075  147.607   79.444   88.941   68.955   83.114   29.948   68.759   27.164 14.35514 40.43249 
1 1 1    5  -20    0 o  400.387   20.417  2055.03  203.464  2390.81  286.528  1713.50  288.970  427.902   26.952  358.306   32.655 69.59625 42.34094 
1 1 1    5  -20    1 o  310.761   11.675  1216.11   90.601  1206.09  126.806  1226.56  129.496  307.738   16.562  310.267   16.776 -2.529144 23.57382 
1 1 1    5  -20    2 o  138.722   9.2772  242.732   31.952  241.387   42.291  244.520   48.775  137.784   12.425  138.276   14.333 -0.4921112 18.96897 
1 1 1    5  -20    3 o  254.518   10.595  815.379   67.338  828.120   93.295  801.523   97.291  255.148   14.705  250.710   15.618 4.438492 21.45082 
1 1 1    5  -20    4 o  403.800   14.128  2066.98  142.464  2129.42  200.225  2002.96  202.748  406.972   19.702  393.630   20.699 13.34216 28.57618 
1 1 1    5  -20    5 o  167.040   9.8246  352.280   40.801  371.011   54.298  327.989   61.836  170.788   12.825  159.776   15.701 11.01273 20.27316 
1 1 1    5  -20    6 o  177.697   13.341  402.332   58.766  415.154   81.950  388.759   84.315  178.863   18.621  172.551   19.935 6.311722 27.27846 
1 1 1    5  -20    7 o  157.145   10.107  312.367   39.453  321.417   51.398  299.389   61.554  158.733   13.083  152.215   16.456 6.517960 21.02297 
1 1 1    5  -20    8 o  224.259   10.430  634.248   58.408  626.604   78.621  643.662   87.256  221.508   14.290  224.003   15.698 -2.496002 21.22783 
1 1 1    5  -20    9 o  150.584   10.255  287.264   38.334  283.893   48.863  292.659   61.819  148.975   13.274  150.233   16.764 -1.258865 21.38281 
1 1 1    5  -20   10 o  251.486   16.208  813.392  101.243  840.860  130.817  772.367  159.874  253.330   20.864  238.814   27.299 14.51537 34.35902 
1 1 1    5  -20   11 o  193.788   10.521  475.640   50.721  460.060   65.640  498.729   79.908  189.557   13.965  196.487   16.437 -6.929947 21.56820 
1 1 1    5  -20   12 o  169.758   10.777  365.798   45.447  362.335   57.327  371.657   74.562  168.085   13.779  168.720   17.974 -0.6351471 22.64760 
1 1 1    5  -20   13 o  202.970   10.434  522.195   52.705  481.765   66.949  588.089   85.472  193.795   13.927  213.258   16.170 -19.46342 21.34086 
1 1 1    5  -20   14 o  476.732   15.713  2924.65  187.060  2642.08  257.587  3239.95  272.093  444.814   23.271  494.728   22.024 -49.91418 32.04036 
1 1 1    5  -20   15 o  335.723   18.230  1474.43  152.264  1311.79  214.761  1638.81  215.912  306.958   28.337  347.104   25.078 -40.14612 37.84067 
1 1 1    5  -20   16 o  184.655   11.991  436.746   54.994  452.516   66.103  401.293   99.113  187.009   14.262  170.806   23.891 16.20329 27.82400 
1 1 1    5  -20   17 o  201.128   12.048  519.627   60.231  472.223   72.199  628.130  109.231  190.053   15.344  215.715   20.525 -25.66177 25.62607 
1 1 1    5  -20   18 o  306.778   13.937  1222.17  106.766  1231.02  130.020  1203.85  187.076  304.474   17.171  290.095   26.104 14.37820 31.24471 
1 1 1    5  -20   19 f  204.084   20.291  576.016  102.037  576.016  102.037   0.0000   0.0000  204.084   20.291  ?   ?  0.000000 20.29067 
1 1 1    5  -20   20 o   37.471   15.228   9.4835   22.311   2.2458   24.813   40.046   50.989   36.180   15.469   59.616   23.420 -23.43592 28.06753 
1 1 1    5  -20   21 o  190.828   12.030  478.787   57.035  498.919   69.365  436.766  100.214  192.628   14.527  169.937   24.308 22.69127 28.31774 
1 1 1    5  -20   22 o   40.153   16.357   12.581   25.820   12.581   25.820   0.0000   0.0000   40.153   16.357  ?   ?  0.000000 16.35737 
1 1 1    5  -20   23 o   77.323   22.974   96.186   47.600   32.019   73.044  143.547   62.754   59.503   25.988   91.757   26.129 -32.25346 36.85286 
1 1 1    5  -20   24 o   66.454   22.972   71.400   46.380   11.075   70.448  117.551   61.618   54.138   24.457   81.142   26.468 -27.00341 36.03726 
1 1 1    5  -20   25 o   39.330   18.327 -19.8811   43.977 -39.4599   71.871  -8.1634   55.601   46.386   22.151   45.835   21.093 0.5508690 30.58717 
1 1 1    5  -19    0 o   62.571   10.370   50.420   15.636   26.020   19.466   94.796   26.251   46.069   14.865   85.923   12.610 -39.85325 19.49285 
1 1 1    5  -19    1 o  217.565   13.967  599.279   75.480  628.935  103.554  565.663  110.250  221.666   18.888  209.406   21.383 12.26016 28.53052 
1 1 1    5  -19    2 o  204.587   14.266  531.019   72.427  609.399   98.840  440.128  106.437  218.165   18.312  183.494   23.788 34.67091 30.02009 
1 1 1    5  -19    3 o  289.974   11.221  1057.93   81.255  1056.67  113.451  1059.25  116.432  288.307   15.819  288.526   16.226 -0.2189331 22.66049 
1 1 1    5  -19    4 o  285.443   11.197  1025.76   79.814  1045.48  111.324  1004.89  114.490  286.660   15.610  280.753   16.402 5.907318 22.64269 
1 1 1    5  -19    5 o  104.214   9.3140  137.508   23.983  119.536   30.279  167.768   39.290   96.452   12.894  114.291   14.063 -17.83878 19.07950 
1 1 1    5  -19    6 o  126.672   9.0258  202.586   28.364  197.175   36.461  210.880   45.141  124.453   11.876  128.202   14.346 -3.748283 18.62386 
1 1 1    5  -19    7 o  131.415   13.470  220.940   43.579  206.010   58.768  239.180   64.957  125.236   19.420  134.990   19.863 -9.754433 27.77954 
1 1 1    5  -19    8 o  105.804   10.814  142.572   28.169  150.971   35.109  127.395   47.195  108.394   13.246   97.727   20.012 10.66692 23.99924 
1 1 1    5  -19    9 o  319.200   11.738  1287.61   93.567  1205.29  129.083  1378.75  135.821  306.418   16.935  327.935   16.640 -21.51758 23.74220 
1 1 1    5  -19   10 o  232.979   10.627  684.757   61.829  669.735   83.172  703.313   92.439  228.924   14.626  234.128   15.905 -5.203827 21.60735 
1 1 1    5  -19   11 o  243.387   10.556  747.498   64.160  735.595   85.548  762.801   96.997  239.973   14.341  243.711   16.027 -3.737640 21.50701 
1 1 1    5  -19   12 o  300.823   16.484  1163.62  123.360  1064.36  160.620  1306.39  192.623  283.911   22.849  313.196   24.832 -29.28452 33.74463 
1 1 1    5  -19   13 o  232.275   10.543  681.458   61.151  584.642   79.611  820.794   95.505  213.392   15.036  252.941   15.191 -39.54868 21.37358 
1 1 1    5  -19   14 o  193.328   10.754  474.034   51.711  510.458   65.989  416.081   83.238  199.835   13.300  178.143   19.005 21.69218 23.19595 
1 1 1    5  -19   15 o   99.647   12.751  128.275   31.002  137.512   35.949  101.468   61.241  102.775   14.403   86.029   26.172 16.74608 29.87341 
1 1 1    5  -19   16 o  187.366   11.228  446.900   52.292  338.739   62.119  709.972   96.878  161.544   15.592  233.796   16.703 -72.25278 22.85015 
1 1 1    5  -19   17 o  172.573   15.038  386.403   64.159  396.008   91.888  377.266   89.623  171.189   22.004  167.026   22.025 4.162949 31.13308 
1 1 1    5  -19   18 o   39.348   15.235   13.562   21.331   11.117   23.572   24.619   50.126   39.522   15.796   56.633   22.893 -17.11153 27.81369 
1 1 1    5  -19   19 o  229.376   12.308  677.774   70.242  665.485   85.011  704.217  124.705  225.488   15.186  226.086   22.382 -0.5973969 27.04761 
1 1 1    5  -19   20 o  132.391   12.470  228.342   40.741  233.402   47.877  215.062   77.566  132.823   14.680  120.255   26.540 12.56873 30.32970 
1 1 1    5  -19   22 o   99.034   14.064  132.263   33.804  125.589   39.308  151.220   66.242   94.769   17.245   97.668   26.490 -2.899376 31.60855 
1 1 1    5  -19   23 o  214.357   12.430  608.779   66.248  657.257   80.530  507.280  116.524  220.230   14.728  178.027   27.063 42.20267 30.81102 
1 1 1    5  -19   24 o   58.512   21.962   47.583   43.457   30.718   68.648   58.861   56.137   58.818   25.445   63.770   24.708 -4.952297 35.46758 
1 1 1    5  -19   25 o   48.903   20.594   20.370   42.863 -12.5485   69.562   40.520   54.423   50.487   23.361   57.344   23.598 -6.857475 33.20577 
1 1 1    5  -19   26 o   41.358   18.877  -9.0056   43.317   37.449   71.233 -36.2644   54.566   58.481   25.600   41.274   19.593 17.20679 32.23732 
1 1 1    5  -19   27 o  104.609   23.114  184.761   58.771  256.023   92.761  136.973   75.962  108.667   32.016   80.458   29.240 28.20908 43.35897 
1 1 1    5  -18    0 o  363.969   12.763  1664.03  116.006  1677.40  163.473  1650.46  164.648  364.359   17.967  360.888   18.330 3.471191 25.66685 
1 1 1    5  -18    1 o  194.330   9.5192  473.249   46.195  499.048   64.121  445.409   66.609  198.830   12.985  187.561   14.330 11.26831 19.33809 
1 1 1    5  -18    2 o  146.687   8.6699  270.495   31.617  245.221   42.576  301.567   47.208  139.128   12.384  154.402   12.347 -15.27504 17.48757 
1 1 1    5  -18    3 o  370.363   18.133  1740.50  167.704  1677.82  234.617  1805.99  239.807  359.613   26.309  373.384   25.879 -13.77097 36.90328 
1 1 1    5  -18    4 o  280.409   11.041  988.296   77.314  987.086  107.755  989.579  110.993  278.920   15.532  279.142   15.989 -0.2219238 22.29152 
1 1 1    5  -18    5 o  232.125   9.9263  676.755   57.539  645.713   79.335  711.204   83.575  225.626   14.152  236.822   14.197 -11.19577 20.04638 
1 1 1    5  -18    6 o  202.173   9.6140  513.455   48.537  488.077   66.185  542.986   71.396  196.068   13.602  206.776   13.908 -10.70769 19.45327 
1 1 1    5  -18    7 o  117.362   9.5198  174.202   27.660  185.028   35.159  156.621   44.805  120.573   11.830  109.693   16.899 10.87958 20.62821 
1 1 1    5  -18    8 o  279.389   10.994  983.563   76.706  929.337  106.012  1043.15  111.126  269.840   15.801  286.006   15.618 -16.16556 22.21759 
1 1 1    5  -18    9 o  384.606   18.991  1900.30  182.395  1701.44  256.954  2102.26  258.949  356.283   29.136  398.839   26.144 -42.55630 39.14604 
1 1 1    5  -18   10 o  154.364   9.6810  301.017   37.129  257.573   47.855  366.721   58.852  141.890   13.675  169.427   14.036 -27.53683 19.59677 
1 1 1    5  -18   11 o  134.626   9.5663  229.242   31.951  201.245   39.945  278.967   53.236  125.396   12.943  147.399   14.657 -22.00256 19.55385 
1 1 1    5  -18   12 o  108.420   10.188  149.437   27.259  133.643   32.831  184.492   48.910  101.833   13.222  118.902   16.953 -17.06841 21.49934 
1 1 1    5  -18   13 o  108.808   15.838  154.270   41.772  168.720   45.664   80.165  103.410  113.670   16.575   86.896   33.573 26.77343 37.44114 
1 1 1    5  -18   14 o  345.321   12.934  1513.80  111.532  1412.54  152.235  1631.12  163.868  330.259   18.534  354.947   18.552 -24.68762 26.22367 
1 1 1    5  -18   15 o  115.099   11.372  169.225   32.258  166.071   39.032  176.021   57.296  113.332   14.096  114.599   20.787 -1.266953 25.11555 
1 1 1    5  -18   16 o  114.063   11.681  166.568   32.803  145.488   38.253  225.145   63.767  105.676   14.910  129.977   20.311 -24.30097 25.19591 
1 1 1    5  -18   17 o  260.348   12.710  862.856   82.630  832.480  100.202  927.412  146.077  253.914   15.883  263.883   22.379 -9.969070 27.44206 
1 1 1    5  -18   18 o   93.264   19.124  117.587   43.044  127.715   63.217  108.832   58.773   95.265   25.895   88.320   25.332 6.945168 36.22486 
1 1 1    5  -18   19 o   53.873   16.170   38.214   23.492   44.969   26.659   14.742   49.692   58.144   17.173   53.792   22.379 4.352123 28.20895 
1 1 1    5  -18   20 o   58.340   16.305   45.870   24.676   37.594   27.825   76.342   53.394   54.092   17.793   74.662   24.652 -20.57008 30.40234 
1 1 1    5  -18   21 o   42.269   16.533   15.748   25.316   15.748   25.316   0.0000   0.0000   42.269   16.533  ?   ?  0.000000 16.53254 
1 1 1    5  -18   22 o   77.177   20.052   84.879   38.995   84.879   38.995   0.0000   0.0000   77.177   20.052  ?   ?  0.000000 20.05170 
1 1 1    5  -18   23 o  111.886   12.316  165.155   33.840  148.607   40.149  205.753   62.886  104.245   15.928  118.750   22.017 -14.50434 27.17490 
1 1 1    5  -18   24 o  127.027   12.278  213.955   38.462  230.787   46.378  176.880   68.833  130.535   14.471  104.948   26.313 25.58674 30.03008 
1 1 1    5  -18   25 o  147.281   12.329  289.403   44.928  319.956   54.563  225.062   79.179  153.129   14.439  115.509   27.788 37.61997 31.31597 
1 1 1    5  -18   26 o   67.766   22.507   72.473   44.483  105.615   69.900   49.917   57.667   77.170   28.048   60.799   24.562 16.37149 37.28295 
1 1 1    5  -18   27 o   87.248   22.408  123.676   49.078  166.507   77.858   95.438   63.219   92.422   29.719   73.192   26.663 19.22976 39.92688 
1 1 1    5  -18   28 o   56.883   22.142   48.582   45.242   32.812   75.973   57.248   56.317   57.403   25.709   60.385   24.316 -2.982407 35.38663 
1 1 1    5  -17    0 o  124.346   8.5753  194.388   26.465  178.716   35.892  213.059   39.177  118.750   12.281  129.776   12.233 -11.02586 17.33428 
1 1 1    5  -17    1 o  372.011   12.931  1737.22  120.130  1744.80  169.271  1729.54  170.516  371.843   18.229  370.167   18.447 1.676147 25.93431 
1 1 1    5  -17    2 o  182.330   8.8917  416.246   40.485  393.424   55.739  441.730   58.901  176.553   12.728  187.137   12.679 -10.58379 17.96523 
1 1 1    5  -17    3 o  302.824   11.391  1150.81   86.143  1142.23  120.646  1159.73  123.037  300.509   16.136  302.762   16.334 -2.252411 22.96024 
1 1 1    5  -17    4 o  390.089   13.510  1915.12  131.600  1922.24  185.113  1907.84  187.124  389.298   19.042  387.746   19.326 1.551788 27.13042 
1 1 1    5  -17    5 o  293.913   15.539  1094.26  113.642  1038.81  157.341  1154.73  164.314  284.176   22.352  299.792   22.104 -15.61603 31.43619 
1 1 1    5  -17    6 o  230.150   9.7998  664.837   56.322  629.484   77.682  704.015   81.778  222.913   14.027  235.805   13.950 -12.89241 19.78249 
1 1 1    5  -17    7 o  312.519   11.734  1229.64   91.573  1192.93  127.497  1268.76  131.608  306.077   16.744  315.678   16.755 -9.600922 23.68762 
1 1 1    5  -17    8 o  283.012   11.116  1008.27   78.559  1007.34  108.960  1009.29  113.371  281.374   15.568  281.430   16.200 -0.5575562E-01 22.46766 
1 1 1    5  -17    9 o  268.743   11.000  909.596   73.821  910.453  101.991  908.652  106.984  267.368   15.340  266.826   16.132 0.5419312 22.26103 
1 1 1    5  -17   10 o  212.564   11.590  571.579   61.291  530.615  100.617  595.747   77.285  202.112   20.206  216.276   14.392 -14.16345 24.80773 
1 1 1    5  -17   11 f  284.208   12.966  1022.21   92.024  1068.16  112.129  927.394  161.058  289.276   15.580  265.174   24.602 24.10199 29.12041 
1 1 1    5  -17   12 o  293.730   11.162  1088.60   81.872  1005.11  112.200  1183.68  119.735  280.236   16.101  304.313   15.811 -24.07715 22.56567 
1 1 1    5  -17   13 o  183.038   10.032  423.265   45.679  420.676   59.478  426.987   71.324  181.704   13.198  182.278   15.826 -0.5747986 20.60747 
1 1 1    5  -17   14 o  268.193   10.994  908.053   73.628  768.090   98.832  1082.61  110.372  244.566   16.276  290.997   15.242 -46.43159 22.29804 
1 1 1    5  -17   15 o  121.666   14.589  191.111   43.439  170.328   46.928  315.499  114.808  114.088   16.990  149.610   31.714 -35.52184 35.97882 
1 1 1    5  -17   16 o  190.434   11.440  460.377   54.149  470.636   65.343  437.888   96.745  191.865   13.729  181.879   21.731 9.986115 25.70433 
1 1 1    5  -17   17 o  219.355   11.857  611.547   64.710  594.516   78.292  648.264  114.956  215.276   14.651  221.814   21.004 -6.537643 25.60873 
1 1 1    5  -17   18 o  114.257   12.285  167.638   34.501  184.876   40.985  125.722   63.911  119.583   13.989   95.053   26.120 24.53006 29.63009 
1 1 1    5  -17   19 o  290.849   13.074  1079.20   94.960  1144.57  115.808  945.031  165.902  297.805   15.627  263.473   25.536 34.33246 29.93799 
1 1 1    5  -17   20 o   61.220   23.274   39.325   49.169   0.0000   0.0000   39.325   49.169  ?   ?    61.220   23.274 0.000000 23.27442 
1 1 1    5  -17   21 o  146.449   11.778  275.720   42.711  314.519   51.563  190.914   76.233  155.843   13.379  114.786   27.040 41.05711 30.16917 
1 1 1    5  -17   22 o   50.236   16.164   32.724   23.029   27.572   26.581   48.231   46.116   48.459   17.338   62.619   22.779 -14.16008 28.62617 
1 1 1    5  -17   23 o  132.940   12.063  230.059   39.611  255.877   47.834  173.726   70.659  139.334   13.935  107.348   26.515 31.98555 29.95342 
1 1 1    5  -17   24 o   35.479   15.100   2.7678   23.448  -1.1382   26.784   15.584   48.517   36.293   15.797   51.784   21.865 -15.49139 26.97427 
1 1 1    5  -17   25 f   53.785   16.938   39.982   25.392   45.988   29.786   24.011   48.574   57.321   18.377   53.420   22.167 3.900902 28.79385 
1 1 1    5  -17   26 o   81.833   15.726   94.034   30.968   98.913   37.034   82.691   56.468   82.359   18.463   72.342   25.329 10.01729 31.34374 
1 1 1    5  -17   27 o  135.794   17.194  262.841   56.998  333.991   88.288  211.992   74.636  143.423   25.589  111.820   27.028 31.60294 37.22018 
1 1 1    5  -17   28 f   57.002   21.542   46.382   41.964  122.790   70.442   4.3490   52.246   81.299   28.299   47.919   21.401 33.38039 35.48011 
1 1 1    5  -17   29 o   42.798   19.056   2.4945   41.088 -44.5018   70.670   26.493   50.501   45.459   21.778   51.658   22.077 -6.198734 31.01073 
1 1 1    5  -17   30 o   51.353   21.478   32.910   46.112   92.224   77.346   0.2028   57.436   67.692   28.021   46.905   21.531 20.78730 35.33800 
1 1 1    5  -16    0 o   95.996   9.0485  116.301   21.435  127.920   29.030  102.372   31.785  100.369   11.808   89.151   14.796 11.21820 18.93024 
1 1 1    5  -16    1 o  216.526   13.664  590.487   73.502  611.117  103.255  569.295  104.655  219.416   19.033  211.524   20.052 7.891953 27.64733 
1 1 1    5  -16    2 o  230.647   9.6604  665.969   55.641  654.296   77.664  678.279   79.754  227.908   13.710  232.045   13.826 -4.136353 19.47115 
1 1 1    5  -16    3 o  277.584   10.533  965.393   73.012  900.199  102.038  1033.79  104.515  267.098   15.363  286.420   14.662 -19.32205 21.23642 
1 1 1    5  -16    4 o  527.365   16.900  3506.90  222.559  3568.33  314.109  3444.98  315.386  529.436   23.758  519.979   24.289 9.456604 33.97655 
1 1 1    5  -16    5 o  373.345   13.008  1751.82  121.275  1762.02  170.495  1741.38  172.540  373.240   18.293  370.486   18.710 2.753723 26.16642 
1 1 1    5  -16    6 o  352.561   11.996  1561.79  105.616  1461.76  147.846  1666.04  150.930  339.452   17.501  363.086   16.646 -23.63361 24.15322 
1 1 1    5  -16    7 o  190.357   11.589  457.101   54.827  329.954   71.455  639.109   85.492  160.279   18.174  224.432   15.346 -64.15321 23.78668 
1 1 1    5  -16    8 o  218.960   9.7221  601.765   53.159  553.860   72.715  656.757   77.909  209.022   14.012  227.746   13.764 -18.72421 19.64112 
1 1 1    5  -16    9 o  440.280   14.565  2452.13  160.140  2302.45  224.842  2606.23  228.137  423.001   21.355  451.185   20.248 -28.18451 29.42819 
1 1 1    5  -16   10 o  278.195   11.106  974.390   77.151  958.213  106.749  992.080  111.632  274.336   15.647  279.003   16.091 -4.666931 22.44421 
1 1 1    5  -16   11 o  144.251   9.4309  262.590   33.785  264.328   43.761  260.025   53.157  144.207   12.269  142.354   15.188 1.853043 19.52409 
1 1 1    5  -16   12 o   85.443   15.800   95.705   32.469  107.017   44.910   83.317   46.998   89.437   20.541   79.103   22.642 10.33464 30.57146 
1 1 1    5  -16   13 o  459.704   14.996  2686.88  172.149  2574.49  240.742  2804.48  246.263  445.684   21.631  465.514   21.184 -19.83005 30.27665 
1 1 1    5  -16   14 o   88.249   11.338   99.862   24.408  106.940   29.620   84.891   43.079   90.913   13.453   79.543   21.274 11.37025 25.17086 
1 1 1    5  -16   15 o   91.058   11.270  106.231   25.080  104.153   30.158  110.891   45.160   89.560   13.938   90.893   20.397 -1.332718 24.70456 
1 1 1    5  -16   16 o  374.039   12.929  1773.86  120.759  1613.53  165.507  1956.39  176.588  353.282   18.828  389.949   18.134 -36.66751 26.14127 
1 1 1    5  -16   17 o  121.029   17.150  191.492   50.381  191.492   50.381   0.0000   0.0000  121.029   17.150  ?   ?  0.000000 17.14958 
1 1 1    5  -16   18 o  185.328   11.579  436.405   53.321  476.357   64.270  348.181   95.506  193.099   13.412  160.551   24.606 32.54892 28.02369 
1 1 1    5  -16   19 o  321.656   13.909  1319.46  111.718  1278.66  136.482  1402.31  194.486  314.323   17.457  324.063   24.208 -9.739227 29.84550 
1 1 1    5  -16   20 o  120.214   13.916  186.951   41.002  186.951   41.002   0.0000   0.0000  120.214   13.916  ?   ?  0.000000 13.91558 
1 1 1    5  -16   21 o  152.699   14.650  302.211   55.177  443.405   82.196  186.393   74.444  183.548   18.172  114.775   26.508 68.77271 32.13864 
1 1 1    5  -16   22 f   96.142   13.091  120.576   30.613  118.502   36.506  125.490   56.189   94.318   16.076   94.275   23.850 0.4343414E-01 28.76203 
1 1 1    5  -16   23 o  150.239   11.348  290.323   42.262  294.438   51.263  281.594   74.673  150.263   13.816  142.719   21.630 7.544525 25.66634 
1 1 1    5  -16   24 o  121.520   12.248  192.457   36.660  253.979   44.642   65.048   64.244  139.415   12.972   71.092   26.700 68.32310 29.68402 
1 1 1    5  -16   25 o   92.546   20.090  122.358   45.096  122.358   45.096   0.0000   0.0000   92.546   20.090  ?   ?  0.000000 20.08980 
1 1 1    5  -16   26 o   68.482   16.386   65.945   27.647   70.929   32.977   54.154   50.721   70.225   18.534   63.484   23.747 6.741638 30.12360 
1 1 1    5  -16   27 o   74.020   16.477   77.827   29.673   96.835   35.802   36.118   53.034   81.914   17.994   57.497   23.435 24.41777 29.54658 
1 1 1    5  -16   28 o  105.546   13.995  152.642   35.977  146.250   43.750  165.994   63.229  100.433   18.110  100.736   25.199 -0.3033981 31.03164 
1 1 1    5  -16   29 o   67.918   22.372   73.419   43.985  137.392   73.935   38.375   54.722   85.731   29.021   56.883   23.560 28.84744 37.38026 
1 1 1    5  -16   30 o   48.796   20.526   22.727   42.501   45.465   72.732   10.936   52.374   60.151   26.106   48.774   21.625 11.37783 33.89961 
1 1 1    5  -16   31 o  139.394   18.066  294.469   61.406  409.755  100.299  225.349   77.662  147.895   28.187  107.332   28.498 40.56281 40.08247 
1 1 1    5  -15    0 o  777.628   23.512  7631.05  456.567  7810.98  645.669  7451.10  645.698  782.719   33.033  764.085   33.841 18.63434 47.29043 
1 1 1    5  -15    1 f  167.436   8.7430  351.549   36.429  343.665   50.675  359.980   52.406  165.183   12.375  169.065   12.502 -3.881897 17.59067 
1 1 1    5  -15    2 o  548.219   17.537  3778.54  240.078  3753.83  339.091  3803.38  339.954  544.514   24.938  548.127   24.836 -3.612793 35.19567 
1 1 1    5  -15    3 o  222.537   13.827  623.638   76.459  643.955  107.106  602.524  109.184  225.269   19.224  217.639   20.325 7.630188 27.97580 
1 1 1    5  -15    4 o  350.674   11.985  1541.53  104.950  1457.93  147.461  1627.34  149.402  339.847   17.434  359.643   16.636 -19.79547 24.09771 
1 1 1    5  -15    5 o  330.943   13.561  1375.29  112.073  1239.58  192.238  1445.16  137.940  311.158   24.950  338.819   16.303 -27.66153 29.80459 
1 1 1    5  -15    6 o  614.594   19.374  4778.17  297.346  4638.23  419.647  4919.26  421.380  601.333   27.946  619.700   27.230 -18.36627 39.01828 
1 1 1    5  -15    7 o   53.628   11.914   37.524   15.540   31.272   18.515   52.430   28.587   49.325   14.239   63.444   17.483 -14.11926 22.54801 
1 1 1    5  -15    8 f  452.941   21.352  2614.28  241.511  2563.86  338.987  2666.25  344.168  442.795   30.850  451.687   30.695 -8.891693 43.51883 
1 1 1    5  -15    9 o  375.625   13.223  1777.49  124.030  1744.29  173.986  1811.79  176.860  369.936   18.897  377.537   18.759 -7.600861 26.62713 
1 1 1    5  -15   10 o  297.257   11.566  1111.79   85.858  1110.03  119.578  1113.66  123.353  295.491   16.268  295.811   16.768 -0.3201904 23.36235 
1 1 1    5  -15   11 o  292.321   10.910  1075.06   79.641  986.735  110.150  1171.82  115.283  278.443   15.908  304.119   15.180 -25.67633 21.98823 
1 1 1    5  -15   12 o  309.269   11.767  1205.74   90.880  1212.17  126.135  1198.80  131.055  308.283   16.444  306.268   17.205 2.015015 23.79975 
1 1 1    5  -15   13 o   85.719   10.816   93.964   22.637  111.637   27.607   57.704   39.545   93.292   12.138   67.114   21.138 26.17760 24.37483 
1 1 1    5  -15   14 o  193.673   13.629  477.387   65.494  396.559   92.164  559.843   93.087  173.844   21.703  208.380   18.068 -34.53532 28.23921 
1 1 1    5  -15   15 o  101.503   10.356  131.086   25.882  137.755   31.748  117.870   44.692  103.649   12.520   94.038   19.664 9.610435 23.31125 
1 1 1    5  -15   16 o  315.170   11.444  1254.20   90.068  1141.94  122.679  1385.46  132.657  298.519   16.521  329.454   16.124 -30.93494 23.08566 
1 1 1    5  -15   17 o  148.845   10.884  280.994   40.174  307.280   48.211  221.270   72.670  155.305   12.538  128.227   23.563 27.07756 26.69127 
1 1 1    5  -15   18 o   80.068   17.766   85.464   34.593   85.464   34.593   0.0000   0.0000   80.068   17.766  ?   ?  0.000000 17.76595 
1 1 1    5  -15   19 o  175.645   19.976  404.953   86.058   0.0000   0.0000  404.953   86.058  ?   ?   175.645   19.976 0.000000 19.97569 
1 1 1    5  -15   20 o  156.812   11.566  313.015   44.970  385.762   54.482  157.491   79.660  173.866   12.635  105.799   29.197 68.06652 31.81371 
1 1 1    5  -15   21 o  172.388   11.467  378.323   49.081  360.893   59.522  415.349   86.754  167.434   14.375  177.369   19.932 -9.934738 24.57500 
1 1 1    5  -15   22 o   27.648   12.465  -8.9004   18.192   1.4721   20.498 -47.3686   39.476   33.462   14.175   34.793   16.560 -1.330948 21.79814 
1 1 1    5  -15   23 o  117.282   15.869  181.233   45.283  327.225   69.991   76.121   59.388  157.042   18.184   75.817   26.007 81.22491 31.73371 
1 1 1    5  -15   24 o   62.070   16.039   52.235   25.039   64.119   29.604   22.363   46.935   68.502   17.301   54.443   22.102 14.05972 28.06808 
1 1 1    5  -15   25 o   71.994   15.366   70.390   26.785   79.629   31.945   48.516   49.153   76.044   17.222   63.079   23.420 12.96566 29.07057 
1 1 1    5  -15   26 o   35.442   14.930   4.0106   22.537   3.4920   25.565   5.8194   47.743   37.206   15.799   49.218   21.256 -12.01224 26.48454 
1 1 1    5  -15   27 o  131.143   12.504  227.087   40.455  283.755   49.490  112.966   70.231  145.916   13.744   83.912   28.285 62.00426 31.44742 
1 1 1    5  -15   28 o  169.133   12.107  378.001   50.798  395.999   62.444  342.784   87.347  170.873   14.780  149.603   24.208 21.27058 28.36275 
1 1 1    5  -15   29 o   75.830   16.206   81.911   29.758   95.545   37.616   59.106   48.649   80.314   19.045   63.475   23.349 16.83932 30.13101 
1 1 1    5  -15   30 o   36.419   16.622 -12.2534   33.582   43.440   63.158 -34.2045   39.651   59.942   25.108   35.351   16.759 24.59114 30.18759 
1 1 1    5  -15   31 o   52.193   20.595   35.142   39.595   61.928   70.546   22.823   47.840   63.794   26.613   50.489   21.530 13.30535 34.23183 
1 1 1    5  -15   32 o   82.616   22.734  116.646   48.376  203.654   83.491   72.672   59.355   97.794   30.700   64.370   25.275 33.42381 39.76559 
1 1 1    5  -14    0 o  445.626   14.653  2488.49  163.055  2587.28  230.549  2389.62  230.639  453.623   20.353  435.824   21.192 17.79883 29.38234 
1 1 1    5  -14    1 o  489.694   15.811  3007.39  193.343  2942.75  273.138  3072.30  273.720  483.287   22.632  493.897   22.193 -10.60928 31.69786 
1 1 1    5  -14    2 f  321.652   11.657  1295.10   93.628  1303.24  131.990  1286.85  132.834  321.837   16.478  319.769   16.693 2.067841 23.45608 
1 1 1    5  -14    3 o   84.429   8.8085   90.109   18.298   73.155   23.981  113.733   28.309   75.315   13.234   94.510   12.285 -19.19454 18.05697 
1 1 1    5  -14    4 o  322.571   16.790  1310.80  134.783  1409.35  190.120  1211.22  191.108  333.253   22.986  308.345   25.036 24.90817 33.98744 
1 1 1    5  -14    5 o  323.690   16.324  1320.17  131.526  1162.16  184.803  1482.36  187.232  301.832   24.736  341.814   22.053 -39.98172 33.13891 
1 1 1    5  -14    6 o  251.421   9.8089  791.395   61.585  768.667   85.578  815.809   88.694  247.061   13.928  254.536   14.008 -7.474136 19.75353 
1 1 1    5  -14    7 o  271.058   10.526  920.598   71.246  910.822   99.407  930.924  102.164  268.745   14.870  271.656   15.120 -2.911804 21.20698 
1 1 1    5  -14    8 o  215.776   10.059  583.465   54.201  618.303   74.829  545.010   78.616  221.382   13.601  207.503   15.279 13.87888 20.45618 
1 1 1    5  -14    9 o  366.340   12.691  1686.83  116.103  1626.54  162.742  1749.32  165.685  358.022   18.264  371.865   17.842 -13.84296 25.53240 
1 1 1    5  -14   10 o  217.733   13.631  599.428   73.742  571.075   98.598  635.418  111.088  211.281   18.887  222.579   20.206 -11.29784 27.65893 
1 1 1    5  -14   11 o  242.297   10.218  737.155   61.826  748.951   85.103  723.972   89.969  243.225   14.072  238.855   15.162 4.369476 20.68594 
1 1 1    5  -14   12 o  328.793   11.583  1360.75   95.100  1261.20  132.253  1467.34  136.848  314.684   16.892  340.150   16.111 -25.46521 23.34271 
1 1 1    5  -14   13 o  265.463   10.632  886.501   70.480  869.607   96.801  905.561  102.819  261.585   14.880  266.757   15.502 -5.171997 21.48799 
1 1 1    5  -14   14 o  178.839   9.8525  403.299   43.831  397.713   58.243  410.595   66.559  176.885   13.283  179.311   15.002 -2.426437 20.03740 
1 1 1    5  -14   15 o  103.229   14.268  137.527   35.797  214.107   51.269   64.680   50.004  128.698   16.319   71.866   23.862 56.83195 28.90913 
1 1 1    5  -14   16 o  183.952   9.9440  427.038   45.510  453.104   59.776  391.098   70.191  188.867   12.749  174.438   16.303 14.42934 20.69562 
1 1 1    5  -14   17 o  141.323   9.7827  252.526   34.312  246.426   43.382  262.716   56.072  139.017   12.635  142.707   16.010 -3.690643 20.39524 
1 1 1    5  -14   18 o  152.815   10.772  295.918   40.843  341.342   49.908  203.811   71.068  163.833   12.288  122.870   24.023 40.96246 26.98326 
1 1 1    5  -14   19 o  271.923   15.647  946.650  105.799  946.650  105.799   0.0000   0.0000  271.923   15.647  ?   ?  0.000000 15.64656 
1 1 1    5  -14   20 o  271.541   22.025  968.935  148.063  968.935  148.063   0.0000   0.0000  271.541   22.025  ?   ?  0.000000 22.02516 
1 1 1    5  -14   21 o   54.902   15.533   39.609   22.252   69.773   26.060 -41.5658   42.751   72.676   14.861   37.957   17.811 34.71914 23.19605 
1 1 1    5  -14   22 f  123.498   11.281  194.692   34.406  187.867   41.657  209.339   61.027  120.557   14.104  125.277   20.194 -4.720055 24.63159 
1 1 1    5  -14   23 o  146.722   11.516  274.915   41.856  342.191   51.159  138.703   72.794  163.437   12.633   98.940   28.130 64.49658 30.83688 
1 1 1    5  -14   24 o  108.727   16.618  156.715   43.686  272.769   67.897   74.730   57.067  142.693   19.570   75.158   25.496 67.53485 32.14077 
1 1 1    5  -14   25 o   77.716   14.594   80.557   27.282   63.402   32.738  119.547   49.355   68.030   18.694   92.361   21.757 -24.33186 28.68546 
1 1 1    5  -14   26 o   52.180   16.427   35.943   23.887   43.982   28.331   16.176   44.424   57.263   17.868   51.228   21.224 6.034283 27.74371 
1 1 1    5  -14   27 o  141.841   11.280  260.926   39.622  315.068   49.663  166.114   65.720  155.057   12.944  105.194   25.323 49.86391 28.43943 
1 1 1    5  -14   28 o   87.688   21.296  113.027   46.167  113.027   46.167   0.0000   0.0000   87.688   21.296  ?   ?  0.000000 21.29571 
1 1 1    5  -14   29 o  128.364   12.036  217.953   38.131  227.165   47.851  201.927   63.117  129.043   15.137  115.854   22.628 13.18822 27.22419 
1 1 1    5  -14   30 o  156.955   11.940  326.771   46.446  413.901   58.512  178.349   76.367  175.376   13.463  101.334   28.813 74.04233 31.80337 
1 1 1    5  -14   31 o  123.789   12.931  207.491   39.383  281.634   50.218   89.041   63.473  143.251   14.226   72.819   26.688 70.43208 30.24278 
1 1 1    5  -14   32 o   57.588   21.346   48.974   40.801   94.299   75.234   30.089   48.563   72.062   28.404   52.779   22.055 19.28310 35.96106 
1 1 1    5  -14   33 o   91.885   21.494  137.904   48.440  274.055   85.129   72.711   58.907  119.948   28.787   64.687   25.242 55.26120 38.28611 
1 1 1    5  -13    0 o  392.608   17.508  1933.74  171.648  2468.66  243.834  1408.26  241.675  442.985   22.042  332.365   29.422 110.6197 36.76314 
1 1 1    5  -13    1 o  957.860   29.190 11611.61  698.205 11437.78  987.103 11785.66  987.720  943.986   41.874  958.614   41.261 -14.62738 58.78703 
1 1 1    5  -13    2 o  108.663   8.6870  148.557   23.375  177.133   32.320  117.213   33.849  118.475   11.052   95.630   14.640 22.84547 18.34334 
1 1 1    5  -13    3 o  429.813   14.206  2314.76  152.478  2206.65  215.089  2423.97  216.189  418.852   20.564  439.123   19.715 -20.27078 28.48782 
1 1 1    5  -13    4 o  347.405   12.141  1511.07  105.332  1459.26  148.265  1563.86  149.667  340.454   17.499  352.959   16.981 -12.50528 24.38314 
1 1 1    5  -13    5 o  510.998   16.450  3278.18  209.911  3235.40  296.341  3321.27  297.378  506.232   23.442  512.960   23.215 -6.727875 32.99202 
1 1 1    5  -13    6 o  248.883   14.515  779.696   89.820  911.401  126.691  646.593  127.362  268.422   19.024  225.099   22.980 43.32367 29.83261 
1 1 1    5  -13    7 o  296.587   10.986  1101.70   81.362  1075.10  113.807  1129.50  116.364  292.112   15.659  299.437   15.616 -7.325775 22.11445 
1 1 1    5  -13    8 o  372.663   12.561  1741.97  116.893  1653.96  164.089  1832.65  166.564  361.771   18.222  381.424   17.487 -19.65271 25.25540 
1 1 1    5  -13    9 o  464.075   15.207  2709.74  176.226  2595.16  248.150  2826.33  250.308  452.282   21.971  472.247   21.225 -19.96463 30.54914 
1 1 1    5  -13   10 o  152.128   9.3855  291.029   35.481  304.153   47.556  274.552   53.285  155.136   12.379  146.962   14.717 8.173828 19.23105 
1 1 1    5  -13   11 o  383.323   19.081  1864.23  182.652  1895.40  255.049  1831.41  261.698  382.703   26.858  375.529   28.111 7.173920 38.87860 
1 1 1    5  -13   12 o  122.817   12.000  191.484   36.332  146.604   43.052  302.536   67.723  106.366   16.764  153.400   18.023 -47.03407 24.61366 
1 1 1    5  -13   13 o  593.865   19.117  4496.05  283.502  4504.35  399.882  4487.66  401.991  588.222   27.223  586.952   27.426 1.270203 38.64316 
1 1 1    5  -13   14 o  203.097   9.5898  518.043   48.637  541.121   65.613  489.899   72.460  206.725   12.773  196.156   14.904 10.56898 19.62843 
1 1 1    5  -13   15 o  126.084   9.3936  200.780   29.364  229.874   37.617  155.402   46.980  134.635   11.293  109.042   17.872 25.59237 21.14119 
1 1 1    5  -13   16 o   44.033   12.915   24.930   15.124   9.4493   17.159   78.833   32.018   34.909   13.623   77.187   17.065 -42.27798 21.83527 
1 1 1    5  -13   17 o  186.065   13.384  440.398   61.774  480.430   88.379  402.156   86.379  192.786   18.588  175.738   20.041 17.04790 27.33459 
1 1 1    5  -13   18 o  111.002   20.272  163.425   54.121   0.0000   0.0000  163.425   54.121  ?   ?   111.002   20.272 0.000000 20.27175 
1 1 1    5  -13   19 o   59.723   14.162   47.065   20.800   62.948   24.230   2.5802   40.550   69.150   14.495   46.803   19.887 22.34641 24.60911 
1 1 1    5  -13   20 o  239.235   11.705  723.234   69.926  853.479   85.803  465.657  120.663  259.112   13.306  185.809   26.778 73.30246 29.90180 
1 1 1    5  -13   21 o   95.310   18.074  120.410   41.443  120.410   41.443   0.0000   0.0000   95.310   18.074  ?   ?  0.000000 18.07403 
1 1 1    5  -13   22 o  108.489   11.940  150.760   31.811  182.162   38.564   83.897   56.273  119.068   13.192   79.597   25.231 39.47089 28.47162 
1 1 1    5  -13   23 f  119.517   11.679  182.648   34.413  224.121   41.918   96.918   60.267  132.199   12.860   84.537   26.009 47.66229 29.01479 
1 1 1    5  -13   24 o  101.439   12.241  132.635   30.382  139.077   36.550  118.234   54.650  103.258   14.580   92.459   23.592 10.79874 27.73391 
1 1 1    5  -13   25 o  194.329   11.429  482.013   55.218  543.365   68.602  369.134   93.052  205.528   13.440  164.339   23.329 41.18913 26.92403 
1 1 1    5  -13   26 o   78.333   18.409   84.092   35.401  187.005   60.118   29.462   43.801  116.335   21.485   55.688   21.756 60.64756 30.57684 
1 1 1    5  -13   27 o   33.253   14.020   2.6919   19.900   11.164   24.370 -14.2621   34.475   39.779   16.004   37.881   17.111 1.898117 23.42886 
1 1 1    5  -13   28 o  106.779   12.600  149.846   32.949  164.283   41.256  124.416   54.754  110.597   15.352   91.816   23.714 18.78059 28.24979 
1 1 1    5  -13   29 o  162.377   20.006  372.269   79.406  372.269   79.406   0.0000   0.0000  162.377   20.006  ?   ?  0.000000 20.00620 
1 1 1    5  -13   30 o   83.098   14.838   94.984   29.660  125.958   37.549   43.589   48.368   95.075   16.408   59.201   22.936 35.87426 28.20072 
1 1 1    5  -13   31 o   72.462   16.447   74.843   29.080  101.240   37.189   33.303   46.652   83.444   18.347   54.913   22.125 28.53056 28.74220 
1 1 1    5  -13   32 o   34.715   15.224  -1.0018   25.292   16.333   32.921 -25.9707   39.510   44.449   18.330   36.872   17.244 7.577572 25.16641 
1 1 1    5  -13   33 o   41.925   18.429   3.5120   37.261 -63.8381   70.782   29.330   43.825   43.989   21.255   51.541   21.189 -7.551735 30.01286 
1 1 1    5  -13   34 o   97.663   21.079  153.114   49.900  273.951   88.226   96.275   60.509  118.457   29.840   72.066   26.111 46.39109 39.65111 
1 1 1    5  -12    0 o  220.674   9.5327  608.848   52.531  599.294   74.199  618.449   74.382  218.355   13.677  221.850   13.490 -3.495590 19.21057 
1 1 1    5  -12    1 o  456.183   21.055  2615.71  239.856  2402.90  338.798  2829.55  339.620  434.381   31.446  472.222   28.940 -37.84079 42.73608 
1 1 1    5  -12    2 o  252.965   14.287  804.028   89.883  858.084  126.969  749.724  127.259  260.654   19.651  243.307   21.156 17.34741 28.87447 
1 1 1    5  -12    3 o  184.580   8.8423  425.919   40.757  404.434   57.088  448.254   58.206  179.286   12.836  188.840   12.412 -9.553848 17.85571 
1 1 1    5  -12    4 o  676.274   20.990  5751.87  354.471  5559.66  500.818  5944.81  501.780  662.302   30.281  685.175   29.327 -22.87329 42.15446 
1 1 1    5  -12    5 o  175.977   9.0133  388.226   39.476  423.234   54.852  350.611   56.857  183.488   12.038  166.732   13.779 16.75545 18.29676 
1 1 1    5  -12    6 o  235.370   9.8412  692.972   57.843  684.745   80.835  701.606   82.805  233.343   13.936  236.189   14.104 -2.845261 19.82757 
1 1 1    5  -12    7 o  491.683   15.883  3034.34  195.017  2966.80  275.084  3102.58  276.513  484.857   22.720  495.918   22.328 -11.06107 31.85485 
1 1 1    5  -12    8 o  484.183   22.505  2962.07  272.104  3021.10  384.536  2902.86  385.090  485.128   31.920  475.201   32.650 9.927338 45.66044 
1 1 1    5  -12    9 o  609.359   18.678  4679.89  284.223  4380.09  400.886  4982.91  403.027  586.387   27.377  626.143   25.776 -39.75592 37.60171 
1 1 1    5  -12   10 o  301.785   11.148  1141.53   84.012  1137.93  117.297  1145.32  120.386  300.342   15.694  301.246   16.061 -0.9038391 22.45565 
1 1 1    5  -12   11 o  369.897   11.939  1717.10  110.278  1576.17  154.341  1864.10  157.625  353.363   17.491  384.535   16.415 -31.17163 23.98703 
1 1 1    5  -12   12 o  395.081   12.704  1962.02  125.332  1795.76  175.575  2134.76  178.965  376.514   18.674  410.893   17.442 -34.37897 25.55230 
1 1 1    5  -12   13 o  374.196   18.159  1776.11  169.686  1684.54  235.688  1874.66  244.500  360.448   26.368  380.589   25.880 -20.14093 36.94596 
1 1 1    5  -12   14 o  275.523   10.901  954.030   75.001  892.950  103.716  1020.98  108.587  265.181   15.733  283.715   15.384 -18.53467 22.00419 
1 1 1    5  -12   15 o  145.743   9.5861  267.843   34.694  291.856   45.456  234.333   53.697  151.740   12.097  134.982   16.257 16.75769 20.26390 
1 1 1    5  -12   16 o  123.006   9.6836  191.254   29.505  214.536   37.943  155.645   46.926  129.956   11.821  109.175   17.827 20.78046 21.39059 
1 1 1    5  -12   17 o  103.482   9.5697  135.701   24.449  144.202   30.885  121.428   40.016  106.303   11.835   96.223   17.289 10.07986 20.95187 
1 1 1    5  -12   18 o   66.712   21.568   56.257   40.963   56.257   40.963   0.0000   0.0000   66.712   21.568  ?   ?  0.000000 21.56758 
1 1 1    5  -12   19 o  276.446   12.434  965.776   85.835  1033.02  105.170  831.615  148.548  284.820   14.838  251.502   23.941 33.31804 28.16639 
1 1 1    5  -12   20 o  129.802   10.596  213.668   34.047  264.014   41.570  111.069   59.343  144.162   11.647   90.575   25.276 53.58750 27.83009 
1 1 1    5  -12   21 o  128.749   11.042  210.616   35.156  251.790   43.067  128.372   60.867  140.561   12.396   97.034   24.973 43.52640 27.88050 
1 1 1    5  -12   22 o  104.552   11.608  139.785   29.795  144.586   35.711  128.787   54.046  105.844   13.843   97.497   22.634 8.346962 26.53122 
1 1 1    5  -12   23 o  132.346   13.562  224.787   44.188  356.298   60.645   75.943   64.518  166.572   14.731   78.044   27.088 88.52849 30.83461 
1 1 1    5  -12   24 o  182.867   10.855  424.191   49.347  520.063   61.379  248.955   82.982  202.138   12.217  134.751   25.596 67.38727 28.36257 
1 1 1    5  -12   25 o  286.395   12.747  1044.21   91.166  1235.21  112.599  680.723  155.331  310.603   14.517  221.409   28.774 89.19359 32.22863 
1 1 1    5  -12   26 o  134.943   11.443  233.158   38.197  289.047   47.760  133.951   63.631  149.876   12.886   97.303   25.777 52.57342 28.81816 
1 1 1    5  -12   27 o   78.931   18.300   85.220   35.368  157.594   60.554   47.746   43.573  105.694   23.546   62.325   22.209 43.36862 32.36720 
1 1 1    5  -12   28 o  173.461   11.295  387.075   48.659  464.940   60.891  249.493   80.940  189.317   12.958  131.201   25.624 58.11534 28.71380 
1 1 1    5  -12   29 o   52.332   16.357   36.628   23.729   55.941   30.208   5.5089   38.346   63.434   18.151   45.035   19.242 18.39857 26.45236 
1 1 1    5  -12   30 o   32.065   14.065  -2.9785   21.601   7.0005   27.089 -20.4039   35.797   39.243   16.441   36.767   16.922 2.475498 23.59363 
1 1 1    5  -12   31 o   56.369   20.873   40.888   38.993   40.888   38.993   0.0000   0.0000   56.369   20.873  ?   ?  0.000000 20.87332 
1 1 1    5  -12   32 o   33.298   14.633  -2.3802   23.473 -19.4153   30.472   22.479   36.811   33.295   15.426   48.525   19.617 -15.23035 24.95565 
1 1 1    5  -12   33 o   52.082   17.940   37.546   28.273   35.019   37.031   41.077   43.780   52.637   20.153   56.228   21.811 -3.591316 29.69619 
1 1 1    5  -12   34 o  120.917   18.013  214.445   52.729  322.669   89.204  156.323   65.373  137.090   27.018   94.146   26.620 42.94463 37.92884 
1 1 1    5  -12   35 f  147.954   16.905  320.719   61.336  503.753  103.800  222.521   76.030  172.276   24.846  109.387   27.781 62.88889 37.27089 
1 1 1    5  -11    0 o   53.839   9.5225   37.320   12.334   32.784   17.637   41.661   17.256   50.356   13.673   56.592   12.540 -6.236584 18.55291 
1 1 1    5  -11    1 o  429.263   13.523  2307.00  144.960  2221.00  204.751  2393.43  205.257  420.571   19.496  436.675   18.823 -16.10394 27.09952 
1 1 1    5  -11    2 o  245.635   9.8471  754.443   60.402  736.355   85.314  772.621   85.527  242.075   14.175  248.018   13.865 -5.942337 19.82830 
1 1 1    5  -11    3 o  132.908   11.474  222.630   37.709  250.319   53.073  194.401   53.588  140.513   15.376  123.211   17.944 17.30289 23.63060 
1 1 1    5  -11    4 o  381.980   12.932  1826.46  123.353  1732.68  173.957  1921.30  174.941  371.045   18.836  391.315   17.903 -20.27072 25.98656 
1 1 1    5  -11    5 o  537.455   17.130  3623.36  229.905  3502.79  324.717  3744.57  325.554  527.133   24.668  545.179   23.913 -18.04559 34.35611 
1 1 1    5  -11    6 o  229.859   9.1532  660.614   52.540  590.364   73.376  734.528   75.265  216.687   13.630  241.911   12.502 -25.22466 18.49496 
1 1 1    5  -11    7 o  577.691   17.953  4190.75  258.985  4029.68  365.626  4352.94  366.898  564.738   25.926  587.190   25.022 -22.45190 36.03133 
1 1 1    5  -11    8 o  599.982   18.471  4524.55  276.744  4409.00  390.616  4641.00  392.139  590.211   26.503  605.717   25.925 -15.50580 37.07436 
1 1 1    5  -11    9 o  353.340   14.206  1565.78  125.346  1498.18  215.292  1600.44  154.170  343.094   25.307  356.849   17.301 -13.75479 30.65548 
1 1 1    5  -11   10 o  330.400   17.036  1376.57  140.080  1542.06  197.973  1210.64  198.233  348.415   22.881  307.719   26.042 40.69604 34.66571 
1 1 1    5  -11   11 o  596.527   18.674  4488.24  278.168  4371.84  392.501  4605.70  394.283  585.606   26.840  601.331   26.257 -15.72449 37.54755 
1 1 1    5  -11   12 o  165.752   9.1650  345.056   37.788  349.076   51.023  340.174   56.237  166.321   12.373  163.951   13.866 2.370117 18.58405 
1 1 1    5  -11   13 o  192.180   9.2214  462.695   44.254  476.659   60.161  446.229   65.328  194.399   12.458  187.805   14.031 6.593414 18.76380 
1 1 1    5  -11   14 f  264.238   10.766  876.446   71.037  905.109   98.524  845.413  102.517  267.495   14.807  258.218   15.977 9.276520 21.78345 
1 1 1    5  -11   15 o  218.440   15.335  606.031   83.119  702.674  111.051  482.921  125.338  234.231   19.153  191.363   26.977 42.86775 33.08484 
1 1 1    5  -11   16 o  200.996   9.3557  507.042   46.959  516.950   63.222  494.850   70.133  202.148   12.587  197.380   14.326 4.768036 19.07009 
1 1 1    5  -11   17 o  154.823   13.747  305.242   52.595   0.0000   0.0000  305.242   52.595  ?   ?   154.823   13.747 0.000000 13.74680 
1 1 1    5  -11   18 o   84.246   11.067   90.861   22.720  101.691   27.938   69.712   39.042   88.830   12.977   72.674   20.580 16.15627 24.33005 
1 1 1    5  -11   19 f   65.559   12.503   56.035   19.722   57.198   23.381   53.169   36.718   65.917   14.590   64.566   20.372 1.351601 25.05762 
1 1 1    5  -11   20 o  163.243   13.142  339.206   53.120  349.822   76.352  329.248   73.951  164.139   18.977  159.180   18.978 4.959488 26.83860 
1 1 1    5  -11   21 o  165.101   10.421  344.612   42.744  438.534   52.939  168.706   72.449  186.101   11.447  111.098   26.488 75.00311 28.85540 
1 1 1    5  -11   22 o   78.016   12.018   78.636   22.662   95.481   27.889   45.894   38.882   85.817   13.456   61.639   21.045 24.17860 24.97890 
1 1 1    5  -11   23 o   45.671   14.629   25.988   18.880   16.340   23.049   45.661   32.913   42.035   15.946   60.075   19.323 -18.03970 25.05313 
1 1 1    5  -11   24 o  189.707   18.855  468.529   88.139  468.529   88.139   0.0000   0.0000  189.707   18.855  ?   ?  0.000000 18.85511 
1 1 1    5  -11   25 o  143.981   11.146  263.690   39.763  360.519   49.721   91.882   66.231  168.283   11.909   83.415   27.452 84.86805 29.92348 
1 1 1    5  -11   26 o  110.113   11.584  155.407   31.376  222.753   39.603   41.878   51.419  131.885   12.162   63.191   23.854 68.69405 26.77570 
1 1 1    5  -11   27 f  144.262   11.135  265.862   39.802  309.137   49.976  190.808   65.816  155.002   13.032  117.550   23.245 37.45213 26.64892 
1 1 1    5  -11   28 o  126.265   14.919  209.062   46.133  259.179   73.936  177.111   59.034  137.050   22.376  113.162   21.680 23.88816 31.15612 
1 1 1    5  -11   29 o  159.174   11.116  325.796   43.906  420.850   55.511  166.985   71.752  180.389   12.398  106.067   27.015 74.32233 29.72466 
1 1 1    5  -11   30 o  129.730   11.608  218.674   37.207  305.131   47.389   79.717   60.078  152.940   12.518   74.853   26.130 78.08698 28.97398 
1 1 1    5  -11   31 o  105.391   12.991  147.368   33.467  200.905   42.741   62.529   53.804  122.591   14.226   67.396   24.591 55.19490 28.40928 
1 1 1    5  -11   32 o  176.039   21.115  448.424   90.970  448.424   90.970   0.0000   0.0000  176.039   21.115  ?   ?  0.000000 21.11520 
1 1 1    5  -11   33 o   94.601   14.425  122.563   32.999  146.201   42.988   88.651   51.491  101.436   17.610   75.190   24.167 26.24609 29.90262 
1 1 1    5  -11   34 o  147.495   12.297  290.850   44.879  389.529   57.972  143.263   70.898  169.381   13.826   90.108   28.291 79.27337 31.48846 
1 1 1    5  -11   35 o   90.621   16.311  118.233   35.555  131.565   46.362   99.195   55.401   92.144   20.659   76.119   25.110 16.02515 32.51603 
1 1 1    5  -11   36 o   42.868   18.785   7.1822   38.447 -35.3602   76.357   21.631   44.499   48.024   22.905   48.749   20.776 -0.7244835 30.92394 
1 1 1    5  -10    0 o  217.568   9.3647  591.859   50.879  602.513   72.016  581.243   71.892  218.967   13.233  215.030   13.456 3.937698 18.87243 
1 1 1    5  -10    1 o  507.585   16.267  3230.08  206.185  3136.28  291.486  3324.01  291.694  499.077   23.388  513.916   22.729 -14.83945 32.61337 
1 1 1    5  -10    2 o  150.363   8.2022  283.422   30.682  294.771   43.262  271.936   43.521  153.079   11.399  146.936   11.965 6.143051 16.52543 
1 1 1    5  -10    3 o  529.289   16.670  3512.32  220.339  3326.21  311.298  3699.17  311.915  513.898   24.258  542.174   23.038 -28.27625 33.45428 
1 1 1    5  -10    4 o  376.055   12.843  1770.03  120.607  1753.37  170.365  1786.76  170.763  373.819   18.250  377.375   18.121 -3.555481 25.71816 
1 1 1    5  -10    5 o  408.163   19.483  2091.88  198.582  2152.96  280.564  2030.56  281.112  412.065   27.422  399.920   28.332 12.14511 39.42937 
1 1 1    5  -10    6 o  249.566   10.064  778.866   62.723  780.165   88.213  777.538   89.202  249.178   14.236  248.736   14.423 0.4419556 20.26514 
1 1 1    5  -10    7 o  200.227   8.8451  501.194   44.226  462.710   61.634  542.041   63.498  191.817   12.943  207.744   12.295 -15.92740 17.85144 
1 1 1    5  -10    8 o  655.660   20.389  5405.43  333.837  5261.35  471.579  5550.17  472.657  644.463   29.303  662.145   28.585 -17.68243 40.93602 
1 1 1    5  -10    9 o  199.298   9.6242  496.787   47.898  503.539   66.216  489.376   69.371  200.051   13.331  197.104   14.189 2.947266 19.46890 
1 1 1    5  -10   10 o   55.282   11.614   39.705   15.523   46.790   18.844   24.743   27.383   59.965   12.962   48.682   17.576 11.28257 21.83892 
1 1 1    5  -10   11 o  512.358   23.574  3321.35  301.616  3437.84  426.577  3204.90  426.522  516.949   33.220  498.496   34.475 18.45309 47.87611 
1 1 1    5  -10   12 o  434.609   14.729  2372.62  159.858  2412.88  225.203  2331.75  226.953  437.021   20.636  429.482   21.161 7.539337 29.55731 
1 1 1    5  -10   13 f  305.539   11.289  1170.43   86.137  1144.15  120.337  1198.05  123.350  301.037   16.066  308.059   16.090 -7.022583 22.73775 
1 1 1    5  -10   14 o  226.572   9.7120  643.257   54.950  657.660   75.684  627.201   79.909  228.353   13.330  222.790   14.441 5.563660 19.65284 
1 1 1    5  -10   15 o  124.636   9.5395  195.871   29.465  192.579   38.359  200.609   46.020  123.119   12.657  125.261   15.011 -2.141273 19.63490 
1 1 1    5  -10   16 o  574.841   39.830  4477.23  568.233   0.0000   0.0000  4477.23  568.233  ?   ?   574.841   39.830 0.000000 39.83028 
1 1 1    5  -10   17 o  358.961   18.122  1643.29  161.915  1643.29  161.915   0.0000   0.0000  358.961   18.122  ?   ?  0.000000 18.12155 
1 1 1    5  -10   18 o  272.018   10.398  930.197   70.634  942.471   96.754  916.192  103.355  272.635   14.261  268.430   15.485 4.205261 21.05098 
1 1 1    5  -10   19 o  145.840   10.322  268.784   37.347  331.944   45.972  146.186   64.048  161.943   11.441  104.052   24.968 57.89120 27.46483 
1 1 1    5  -10   20 o  300.779   12.885  1142.95   96.777  1293.92  118.911  846.760  166.554  319.395   14.909  252.835   26.788 66.56010 30.65692 
1 1 1    5  -10   21 o  163.393   12.247  338.897   49.606  485.357   73.538  216.602   67.197  194.917   15.229  127.851   21.831 67.06534 26.61799 
1 1 1    5  -10   22 o  192.681   10.720  469.102   51.378  552.780   63.418  309.291   87.642  208.857   12.213  152.500   23.790 56.35735 26.74198 
1 1 1    5  -10   23 o  120.715   10.519  184.942   31.394  259.258   39.126   50.625   52.601  142.974   11.044   67.188   24.345 75.78560 26.73278 
1 1 1    5  -10   24 o  138.512   10.556  243.218   36.236  302.009   45.152  136.845   60.735  154.160   11.819  100.224   24.478 53.93567 27.18196 
1 1 1    5  -10   25 o  246.270   14.252  773.943   87.271  773.943   87.271   0.0000   0.0000  246.270   14.252  ?   ?  0.000000 14.25171 
1 1 1    5  -10   26 f   89.995   13.085  104.921   28.545  137.908   35.756   46.954   47.400  103.112   14.269   64.070   23.126 39.04219 27.17373 
1 1 1    5  -10   27 o   91.343   12.790  108.106   28.374  102.304   35.562  118.270   47.069   87.719   16.847   93.327   20.735 -5.607964 26.71664 
1 1 1    5  -10   28 o   47.680   15.734   28.289   21.752   40.598   27.427   7.4190   35.713   55.937   17.602   45.175   18.898 10.76165 25.82554 
1 1 1    5  -10   29 o  215.072   11.349  591.629   60.735  765.557   75.985  283.920  101.067  244.119   12.506  138.653   30.057 105.4660 32.55484 
1 1 1    5  -10   30 o  154.084   13.342  309.236   50.830  630.205   83.143  117.672   64.232  219.030   15.297   89.417   26.715 129.6123 30.78433 
1 1 1    5  -10   31 o  160.948   11.299  335.100   45.126  434.991   57.025  167.754   73.810  182.736   12.573  104.395   27.813 78.34201 30.52256 
1 1 1    5  -10   32 o   98.339   13.431  129.016   32.121  168.331   41.432   69.791   50.853  111.564   15.273   69.736   24.058 41.82758 28.49601 
1 1 1    5  -10   33 o   80.121   16.005   89.395   30.902  112.356   39.855   54.778   48.936   88.609   18.604   63.341   23.398 25.26828 29.89242 
1 1 1    5  -10   34 o   37.576   15.935   5.2984   25.949   30.719   34.070 -29.8240   40.047   50.812   19.360   36.852   17.275 13.95963 25.94691 
1 1 1    5  -10   35 o   37.747   16.024   5.9618   26.286   3.1860   35.094   9.5093   39.674   41.428   18.056   45.230   19.455 -3.802132 26.54284 
1 1 1    5  -10   36 o   64.665   18.864   63.453   32.344   91.751   43.761   29.381   48.018   75.645   21.906   52.789   21.984 22.85586 31.03467 
1 1 1    5   -9    0 o  246.661   14.125  764.893   86.645  782.861  122.563  746.941  122.506  248.725   19.899  242.833   20.391 5.892242 28.49174 
1 1 1    5   -9    1 o  589.679   18.473  4366.95  272.022  4205.23  384.526  4528.96  384.867  576.839   26.694  598.885   25.735 -22.04608 37.07911 
1 1 1    5   -9    2 o  409.677   13.627  2101.88  139.414  2064.15  197.107  2139.66  197.215  405.350   19.472  412.740   19.134 -7.390106 27.30012 
1 1 1    5   -9    3 o  271.232   10.266  920.044   69.536  874.270   98.212  966.055   98.466  263.736   14.974  277.358   14.265 -13.62183 20.68110 
1 1 1    5   -9    4 f  315.193   11.246  1242.78   88.520  1203.40  125.041  1282.33  125.332  309.423   16.239  319.885   15.690 -10.46216 22.58064 
1 1 1    5   -9    5 o  486.066   15.655  2960.56  190.017  2836.53  268.370  3085.25  269.080  474.847   22.632  495.369   21.752 -20.52240 31.39070 
1 1 1    5   -9    6 o  500.722   15.582  3141.63  194.837  2985.26  275.089  3299.04  275.997  487.147   22.613  512.281   21.575 -25.13315 31.25421 
1 1 1    5   -9    7 o  133.470   11.879  224.649   39.179  261.663   54.239  184.264   56.654  143.703   15.352  119.598   19.652 24.10471 24.93801 
1 1 1    5   -9    8 f  487.601   15.647  2979.81  190.525  2947.90  269.018  3011.93  269.869  484.050   22.256  489.308   22.086 -5.257294 31.35464 
1 1 1    5   -9    9 o  205.897   9.5913  530.118   49.315  542.325   68.725  517.161   70.805  207.685   13.322  202.706   14.075 4.979462 19.37963 
1 1 1    5   -9   10 o  428.858   13.496  2303.84  144.535  2204.08  203.545  2405.30  205.272  418.741   19.465  437.538   18.787 -18.79675 27.05301 
1 1 1    5   -9   11 o  335.152   11.206  1406.01   93.790  1292.20  131.461  1523.99  133.848  320.420   16.485  348.547   15.378 -28.12683 22.54449 
1 1 1    5   -9   12 o  269.448   10.295  908.710   69.269  897.915   96.407  920.230   99.592  267.135   14.506  270.401   14.805 -3.266571 20.72757 
1 1 1    5   -9   13 o  520.303   23.924  3431.87  310.844  3432.92  439.544  3430.82  439.655  515.243   34.359  515.074   34.379 0.1685181 48.60495 
1 1 1    5   -9   14 o  178.935   9.4564  402.002   42.104  410.247   57.222  392.268   62.175  180.356   12.788  176.121   14.259 4.235062 19.15357 
1 1 1    5   -9   15 o  142.296   9.3272  254.706   32.960  275.680   43.769  227.232   50.093  147.724   11.968  133.479   15.305 14.24529 19.42864 
1 1 1    5   -9   16 o  357.948   12.687  1610.95  113.407  1752.75  159.136  1464.61  161.657  372.314   17.116  339.289   19.158 33.02515 25.69048 
1 1 1    5   -9   17 o  270.648   10.979  920.123   74.202  1019.83  102.608  810.817  107.435  283.937   14.520  252.420   17.146 31.51736 22.46772 
1 1 1    5   -9   18 o  126.274   14.990  204.333   46.343  252.136   55.478   93.948   84.304  140.191   16.142   88.414   30.948 51.77624 34.90511 
1 1 1    5   -9   19 o  321.430   11.443  1300.48   91.848  1387.55  127.252  1205.78  132.706  330.939   15.398  307.440   17.356 23.49832 23.20217 
1 1 1    5   -9   20 o  195.286   10.682  481.165   51.897  525.782   63.775  393.702   89.291  203.763   12.595  173.912   20.984 29.85103 24.47409 
1 1 1    5   -9   21 o  264.947   11.911  885.160   78.808  1055.94   97.001  553.543  135.169  288.992   13.441  203.829   27.237 85.16290 30.37314 
1 1 1    5   -9   22 o  155.931   10.393  307.310   40.237  378.696   49.761  172.477   68.388  172.930   11.590  112.966   24.912 59.96384 27.47639 
1 1 1    5   -9   23 o  317.029   15.160  1276.87  120.021  1696.07  173.022  888.072  166.629  363.068   19.151  258.949   26.125 104.1189 32.39317 
1 1 1    5   -9   24 o  193.946   10.677  475.332   51.510  574.502   63.807  289.786   87.278  212.944   12.049  147.117   24.627 65.82695 27.41678 
1 1 1    5   -9   25 o  116.360   10.670  172.079   30.658  244.496   38.555   47.548   50.559  138.755   11.223   65.479   23.846 73.27650 26.35485 
1 1 1    5   -9   26 f  249.220   11.266  784.491   70.111  1013.21   87.260  367.890  117.766  282.902   12.352  163.054   30.029 119.8482 32.47029 
1 1 1    5   -9   27 o   71.574   19.890   68.566   36.827   68.566   36.827   0.0000   0.0000   71.574   19.890  ?   ?  0.000000 19.88975 
1 1 1    5   -9   28 o  173.592   10.916  382.935   47.080  470.034   59.086  231.465   77.918  191.928   12.394  129.719   24.960 62.20935 27.86774 
1 1 1    5   -9   29 o  159.977   11.013  326.432   43.728  443.126   55.136  128.585   71.792  186.184   11.921   95.031   28.209 91.15242 30.62480 
1 1 1    5   -9   30 o  114.352   11.619  168.593   32.717  262.541   42.017   23.898   52.144  142.849   11.887   57.070   23.247 85.77861 26.10964 
1 1 1    5   -9   31 o  145.365   13.684  276.092   49.088  545.726   80.383  115.742   61.988  203.283   15.963   88.825   26.173 114.4581 30.65682 
1 1 1    5   -9   32 o   43.766   16.081   21.461   23.068   31.748   30.399   7.4947   35.419   51.312   18.520   44.188   18.671 7.123642 26.29829 
1 1 1    5   -9   33 o  128.250   11.913  215.426   37.716  281.984   48.760  116.294   59.508  145.918   13.536   86.926   25.652 58.99174 29.00453 
1 1 1    5   -9   34 o   73.963   16.180   76.575   29.053  102.862   37.982   39.503   45.106   84.806   18.459   57.385   22.172 27.42098 28.85026 
1 1 1    5   -9   35 o  123.479   23.180  231.882   68.851  231.882   68.851   0.0000   0.0000  123.479   23.180  ?   ?  0.000000 23.18009 
1 1 1    5   -9   36 o   48.835   17.967   30.412   28.806   52.062   39.233   5.0902   42.430   59.889   21.102   45.205   19.774 14.68332 28.91894 
1 1 1    5   -9   37 o   42.135   18.818  -1.5869   40.399   0.0000   0.0000  -1.5869   40.399  ?   ?    42.135   18.818 0.000000 18.81773 
1 1 1    5   -8    0 o   85.638   7.9359   92.483   16.778   91.068   23.909   93.855   23.551   84.488   11.642   85.850   11.257 -1.362511 16.19393 
1 1 1    5   -8    1 o  378.742   12.626  1796.91  119.419  1807.09  168.928  1786.73  168.840  379.199   17.840  377.043   17.932 2.155731 25.29456 
1 1 1    5   -8    2 o  448.356   20.983  2530.47  234.933  2537.00  332.129  2523.92  332.362  446.102   29.988  444.912   30.092 1.189423 42.48313 
1 1 1    5   -8    3 o  726.435   22.250  6644.59  403.633  6394.36  570.510  6895.38  571.138  709.378   32.206  737.105   31.029 -27.72742 44.72121 
1 1 1    5   -8    4 o  210.633   9.1991  554.703   48.387  559.447   68.384  549.947   68.474  210.988   13.043  209.169   13.177 1.819244 18.54037 
1 1 1    5   -8    5 o  216.670   9.3034  586.931   50.338  629.725   71.112  543.952   71.265  223.939   12.769  207.969   13.801 15.96953 18.80184 
1 1 1    5   -8    6 o  160.359   8.3812  322.284   33.446  329.759   46.984  314.604   47.621  161.931   11.698  158.100   12.155 3.831787 16.86955 
1 1 1    5   -8    7 o  401.283   13.347  2015.77  133.743  1982.68  188.848  2049.06  189.436  397.449   19.027  404.075   18.774 -6.625824 26.73002 
1 1 1    5   -8    8 o  502.840   22.713  3180.84  285.207  2985.55  402.434  3377.90  404.260  483.940   33.507  515.471   31.557 -31.53122 46.02804 
1 1 1    5   -8    9 o  481.191   22.323  2912.76  268.242  3041.47  378.849  2783.36  379.856  489.030   31.185  467.290   32.759 21.74060 45.22947 
1 1 1    5   -8   10 o  514.811   15.632  3322.01  200.963  3211.16  283.524  3433.94  284.890  505.106   22.478  522.451   21.836 -17.34457 31.33825 
1 1 1    5   -8   11 o  696.550   20.862  6103.38  362.871  5857.12  512.374  6351.19  513.983  679.591   30.192  708.073   29.068 -28.48218 41.91073 
1 1 1    5   -8   12 o  321.501   11.428  1293.83   91.749  1241.76  128.728  1347.59  130.802  314.118   16.468  327.720   15.983 -13.60248 22.94906 
1 1 1    5   -8   13 o  378.613   12.859  1796.42  121.582  1673.34  170.744  1923.02  173.168  364.172   18.840  391.080   17.732 -26.90875 25.87190 
1 1 1    5   -8   14 o  545.057   24.892  3769.29  338.812  3767.84  479.112  3770.75  479.192  539.345   35.776  539.558   35.768 -0.2133179 50.58902 
1 1 1    5   -8   15 o  105.648   13.974  142.594   35.961   0.0000   0.0000  142.594   35.961  ?   ?   105.648   13.974 0.000000 13.97370 
1 1 1    5   -8   16 o  240.311   13.898  728.459   83.048  728.459   83.048   0.0000   0.0000  240.311   13.898  ?   ?  0.000000 13.89833 
1 1 1    5   -8   17 o  162.568   9.3702  332.307   37.878  381.566   51.132  272.398   56.389  173.898   11.845  146.124   15.700 27.77399 19.66693 
1 1 1    5   -8   18 o  109.385   8.8978  150.962   24.094  172.426   31.138  118.935   38.036  116.687   10.809   95.645   16.523 21.04226 19.74415 
1 1 1    5   -8   19 o  337.445   17.641  1450.16  148.140  1430.96  202.387  1472.32  217.424  332.171   24.573  336.167   26.105 -3.996033 35.85127 
1 1 1    5   -8   20 o  254.499   12.029  815.845   76.447  865.294   93.817  718.130  131.881  261.214   14.439  235.154   22.742 26.05942 26.93857 
1 1 1    5   -8   21 o  330.714   13.411  1381.58  110.759  1600.27  136.155  953.733  190.440  355.292   15.346  267.888   28.927 87.40442 32.74547 
1 1 1    5   -8   22 o  269.507   11.812  915.576   79.496  1126.43   97.953  508.724  136.065  298.599   13.137  194.631   28.870 103.9682 31.71861 
1 1 1    5   -8   23 o  114.547   10.235  166.341   28.968  186.378   35.919  129.062   48.994  120.968   12.051   98.463   20.588 22.50484 23.85606 
1 1 1    5   -8   24 o   98.393   14.203  125.102   33.887  138.048   53.115  116.215   44.007  101.602   21.600   93.528   19.475 8.073959 29.08301 
1 1 1    5   -8   25 o  112.469   10.611  160.711   29.450  219.170   36.968   59.169   48.722  131.344   11.384   69.422   23.558 61.92207 26.16446 
1 1 1    5   -8   26 o  257.764   11.801  839.248   75.964  982.884   93.959  568.187  129.075  278.453   13.513  206.444   25.586 72.00975 28.93465 
1 1 1    5   -8   27 o  133.029   10.996  224.841   36.200  248.515   45.399  183.509   59.986  139.395   13.199  117.252   21.270 22.14334 25.03304 
1 1 1    5   -8   28 o  288.613   23.189  1102.30  165.719  1102.30  165.719   0.0000   0.0000  288.613   23.189  ?   ?  0.000000 23.18932 
1 1 1    5   -8   29 o  186.012   10.779  439.318   49.857  613.124   62.877  144.992   81.823  219.609   11.506  101.192   30.133 118.4165 32.25520 
1 1 1    5   -8   30 o  133.393   11.126  227.542   36.724  340.036   46.915   49.550   59.012  163.093   11.595   67.337   25.522 95.75565 28.03247 
1 1 1    5   -8   31 o   55.078   16.122   40.413   23.589   51.147   30.884   25.384   36.545   61.695   18.545   51.543   19.946 10.15271 27.23519 
1 1 1    5   -8   32 o   50.084   16.378   32.316   23.589   31.449   31.266   33.461   35.940   51.789   18.769   54.121   20.040 -2.332623 27.45647 
1 1 1    5   -8   33 o  119.869   14.884  191.679   43.594  423.350   75.069   73.798   53.548  177.065   17.194   72.235   24.697 104.8303 30.09264 
1 1 1    5   -8   34 o   49.896   16.884   32.389   25.025   65.179   33.639  -8.2445   37.447   67.628   19.086   40.563   18.116 27.06504 26.31517 
1 1 1    5   -8   35 o   96.249   13.998  125.118   32.659  179.673   43.111   51.642   50.031  114.773   15.433   62.512   23.545 52.26142 28.15228 
1 1 1    5   -8   36 o   69.659   23.715   73.694   49.376   73.694   49.376   0.0000   0.0000   69.659   23.715  ?   ?  0.000000 23.71544 
1 1 1    5   -8   37 o  111.652   14.865  172.356   40.417  298.997   53.981   10.788   60.972  147.420   14.866   52.902   23.401 94.51776 27.72355 
1 1 1    5   -8   38 o  111.368   15.054  174.206   40.792  278.110   55.657   53.616   59.960  139.809   16.245   61.474   24.972 78.33578 29.79058 
1 1 1    5   -7    0 o  353.448   12.333  1566.31  108.853  1560.59  153.983  1572.01  153.901  352.061   17.515  353.359   17.441 -1.297577 24.71759 
1 1 1    5   -7    1 o  279.898   10.526  980.946   73.573  985.643  104.094  976.258  104.001  279.775   14.954  278.426   15.014 1.348999 21.19001 
1 1 1    5   -7    2 o  166.634   8.4511  348.149   35.051  345.607   49.619  350.681   49.521  165.660   12.078  166.892   11.962 -1.231705 16.99862 
1 1 1    5   -7    3 o  399.153   13.378  1996.55  133.348  1964.10  188.590  2029.01  188.574  395.148   19.112  401.672   18.800 -6.524231 26.80889 
1 1 1    5   -7    4 o  489.990   22.464  3025.10  274.872  3249.74  388.968  2801.03  388.488  504.898   31.000  467.799   33.477 37.09885 45.62595 
1 1 1    5   -7    5 f  166.808   8.4154  348.709   34.941  334.128   49.309  363.414   49.520  162.932   12.208  170.010   11.736 -7.077530 16.93425 
1 1 1    5   -7    6 o  380.472   12.841  1812.02  122.003  1758.97  172.366  1865.28  172.712  374.360   18.438  385.560   17.938 -11.19992 25.72422 
1 1 1    5   -7    7 o  252.951   9.8817  800.043   62.419  768.539   87.972  831.983   88.579  247.318   14.305  257.406   13.831 -10.08862 19.89829 
1 1 1    5   -7    8 o  433.292   14.310  2351.03  154.839  2368.88  218.747  2333.10  219.205  434.306   20.170  430.990   20.367 3.316803 28.66418 
1 1 1    5   -7    9 o  187.022   8.9968  437.230   42.018  468.092   58.900  405.249   59.958  193.025   12.283  179.420   13.481 13.60492 18.23764 
1 1 1    5   -7   10 o  218.949   13.271  602.301   72.219  593.976  100.531  611.179  103.813  216.748   18.758  219.837   19.100 -3.089233 26.77119 
1 1 1    5   -7   11 o  583.540   17.901  4272.90  260.860  4172.80  368.336  4373.62  369.489  575.166   25.645  588.964   25.122 -13.79816 35.89985 
1 1 1    5   -7   12 o  136.751   9.1639  234.876   31.113  246.446   42.343  221.298   45.869  139.783   12.254  132.165   14.116 7.618042 18.69331 
1 1 1    5   -7   13 o  154.090   8.3528  297.722   32.021  263.744   43.380  338.400   47.464  144.634   12.122  164.007   11.665 -19.37270 16.82354 
1 1 1    5   -7   14 o  397.353   13.216  1978.93  131.139  1856.40  184.384  2104.36  186.553  383.554   19.313  409.045   18.263 -25.49130 26.58049 
1 1 1    5   -7   15 o  348.437   12.110  1521.60  105.368  1531.35  147.844  1511.54  150.211  348.922   16.968  346.160   17.433 2.762390 24.32717 
1 1 1    5   -7   16 o  150.928   11.904  287.397   44.502  403.667   63.976  178.402   61.942  178.665   14.463  116.833   22.039 61.83151 26.36125 
1 1 1    5   -7   17 o  300.918   11.077  1135.60   83.240  1210.66  116.137  1056.30  119.366  310.140   14.996  288.970   16.612 21.16965 22.37877 
1 1 1    5   -7   18 o  116.862   8.7376  172.015   25.314  185.872   33.221  152.827   39.091  121.195   11.100  109.179   14.713 12.01608 18.43015 
1 1 1    5   -7   19 o  324.256   11.244  1320.94   91.045  1439.91  126.818  1194.41  130.786  337.723   15.037  306.627   17.149 31.09616 22.80827 
1 1 1    5   -7   20 o  179.598   10.569  406.601   47.194  470.014   58.030  282.740   81.102  192.868   12.110  146.788   22.871 46.08028 25.87900 
1 1 1    5   -7   21 o  134.667   16.680  233.539   54.892  233.539   54.892   0.0000   0.0000  134.667   16.680  ?   ?  0.000000 16.67979 
1 1 1    5   -7   22 o  181.521   10.279  415.495   46.403  509.934   57.326  236.025   79.026  200.926   11.473  133.003   24.703 67.92198 27.23694 
1 1 1    5   -7   23 o  114.563   10.131  166.272   28.685  216.139   35.646   74.641   48.319  130.580   11.035   75.754   23.285 54.82597 25.76781 
1 1 1    5   -7   24 o  146.953   10.284  272.942   37.501  342.628   46.608  145.018   63.150  164.515   11.416  103.587   24.751 60.92877 27.25672 
1 1 1    5   -7   25 o  196.489   10.178  486.993   49.770  642.621   62.107  207.676   83.204  225.862   11.011  123.331   27.694 102.5305 29.80258 
1 1 1    5   -7   26 o   36.154   15.094   3.5470   22.719   56.677   42.698 -17.4365   26.833   67.192   22.038   32.459   14.831 34.73395 26.56396 
1 1 1    5   -7   27 o  228.166   11.001  656.503   62.680  826.064   78.007  347.560  105.296  255.645   12.219  160.148   27.309 95.49672 29.91780 
1 1 1    5   -7   28 o  248.567   11.425  780.486   70.919  949.428   88.232  472.097  119.208  273.715   12.908  187.299   26.204 86.41556 29.21130 
1 1 1    5   -7   29 f  157.957   10.449  316.302   40.983  464.337   52.236   79.288   66.096  191.376   10.976   79.288   27.423 112.0888 29.53807 
1 1 1    5   -7   30 o   75.686   20.915   77.640   40.844   77.640   40.844   0.0000   0.0000   75.686   20.915  ?   ?  0.000000 20.91475 
1 1 1    5   -7   31 o   30.589   13.433  -4.3272   19.751 -14.4813   25.661   10.433   30.939   32.112   14.607   43.584   17.848 -11.47266 23.06302 
1 1 1    5   -7   32 o   39.173   15.242   13.193   21.433   52.598   28.490 -38.1815   32.531   62.317   17.557   31.685   15.067 30.63131 23.13576 
1 1 1    5   -7   33 o  174.510   10.702  390.815   46.412  562.771   59.650  126.999   73.885  209.122   11.466   91.859   28.887 117.2632 31.07944 
1 1 1    5   -7   34 o   91.685   17.014  115.475   37.519  329.590   67.986   21.706   44.991  155.577   17.821   52.648   21.536 102.9295 27.95350 
1 1 1    5   -7   35 o  105.176   13.115  146.913   33.697  204.392   44.257   67.633   51.977  123.438   14.643   69.010   24.292 54.42862 28.36381 
1 1 1    5   -7   36 o  112.832   13.155  169.815   36.371  305.226   48.934   2.6743   54.366  151.707   13.044   50.367   22.197 101.3400 25.74555 
1 1 1    5   -7   37 o   53.883   20.945   34.273   40.440   34.273   40.440   0.0000   0.0000   53.883   20.945  ?   ?  0.000000 20.94512 
1 1 1    5   -7   38 f   39.167   16.828   4.8797   29.621   20.207   41.388 -11.2156   42.411   48.935   20.397   41.362   18.801 7.573029 27.74004 
1 1 1    5   -7   39 o   62.371   19.620   59.524   34.081   56.605   49.425   62.169   47.058   61.244   23.323   63.075   23.000 -1.830944 32.75578 
1 1 1    5   -6    0 o  160.735   8.3294  324.135   33.318  320.775   47.158  327.483   47.080  159.495   11.927  161.182   11.778 -1.687347 16.76235 
1 1 1    5   -6    1 o  288.194   10.760  1040.60   77.435  1042.07  109.556  1039.14  109.463  287.490   15.316  287.084   15.324 0.4057312 21.66566 
1 1 1    5   -6    2 o  107.368   7.7998  144.939   20.770  144.303   29.492  145.566   29.256  106.733   11.234  107.224   11.086 -0.4905472 15.78293 
1 1 1    5   -6    3 o  320.886   11.445  1289.89   91.707  1279.23  129.709  1300.54  129.678  318.602   16.358  321.276   16.216 -2.673859 23.03372 
1 1 1    5   -6    4 o  307.893   11.200  1186.91   86.110  1150.70  121.739  1223.16  121.815  302.283   16.186  311.758   15.697 -9.474915 22.54777 
1 1 1    5   -6    5 o  281.233   15.131  994.663  105.870  1045.21  149.638  944.003  149.808  287.381   20.997  272.817   22.181 14.56366 30.54296 
1 1 1    5   -6    6 o  168.014   12.047  355.130   50.208  385.296   70.741  324.510   71.271  174.507   16.427  159.754   18.190 14.75348 24.50919 
1 1 1    5   -6    7 o  315.392   11.084  1244.37   87.300  1148.33  123.172  1341.30  123.751  302.200   16.383  327.177   15.147 -24.97757 22.31191 
1 1 1    5   -6    8 o  232.651   9.5071  676.710   55.234  669.229   77.802  684.311   78.427  230.808   13.558  233.409   13.513 -2.600418 19.14230 
1 1 1    5   -6    9 o  365.723   12.534  1673.76  114.474  1719.39  161.676  1627.90  162.106  370.283   17.485  359.794   18.100 10.48938 25.16620 
1 1 1    5   -6   10 o  473.073   15.218  2803.50  179.778  2728.32  253.835  2879.18  254.657  465.882   21.819  478.663   21.305 -12.78116 30.49485 
1 1 1    5   -6   11 o  545.318   16.785  3728.17  228.566  3610.93  322.653  3846.27  323.832  535.512   24.128  552.814   23.458 -17.30182 33.65148 
1 1 1    5   -6   12 o  595.941   25.689  4479.12  382.299  3965.42  538.739  5000.19  542.587  555.825   39.062  626.116   34.841 -70.29138 52.34250 
1 1 1    5   -6   13 o  270.248   10.136  913.449   68.401  892.970   95.743  934.799   97.757  266.581   14.436  272.774   14.402 -6.193329 20.39188 
1 1 1    5   -6   14 o  452.624   20.584  2578.17  232.658   0.0000   0.0000  2578.17  232.658  ?   ?   452.624   20.584 0.000000 20.58400 
1 1 1    5   -6   15 o   89.139   12.809  101.584   27.693  101.584   27.693   0.0000   0.0000   89.139   12.809  ?   ?  0.000000 12.80862 
1 1 1    5   -6   16 o  212.340   9.6770  564.317   51.312  584.070   70.880  542.564   74.380  215.399   13.242  207.408   14.451 7.991287 19.60037 
1 1 1    5   -6   17 o  212.776   10.883  568.783   57.633  561.266   96.125  573.002   72.013  210.143   18.507  213.202   13.597 -3.058899 22.96444 
1 1 1    5   -6   18 o  315.494   12.808  1250.13  100.909  1400.88  123.858  952.528  174.023  333.636   14.866  271.786   25.956 61.84955 29.91203 
1 1 1    5   -6   19 o  280.761   10.333  988.687   72.446  1182.62  100.856  781.952  104.131  306.632   13.171  248.197   16.902 58.43559 21.42781 
1 1 1    5   -6   20 o  291.993   12.484  1072.70   91.031  1189.08  111.722  842.803  157.018  307.003   14.573  254.819   24.997 52.18370 28.93509 
1 1 1    5   -6   21 o  186.976   10.401  440.442   48.373  503.613   59.520  317.538   83.021  199.694   11.991  156.027   21.912 43.66727 24.97831 
1 1 1    5   -6   22 o  242.510   20.215  756.976  121.307  756.976  121.307   0.0000   0.0000  242.510   20.215  ?   ?  0.000000 20.21531 
1 1 1    5   -6   23 o   46.034   13.017   27.443   15.631   37.797   19.480   8.7218   26.193   53.731   14.276   40.638   16.506 13.09261 21.82309 
1 1 1    5   -6   24 o  266.146   11.872  892.723   78.902  991.911   97.182  700.885  135.152  280.060   13.896  231.562   23.707 48.49863 27.47910 
1 1 1    5   -6   25 o   65.355   12.775   55.746   20.102   63.749   25.321   42.104   33.059   69.616   15.007   58.592   19.400 11.02407 24.52713 
1 1 1    5   -6   26 o  261.233   11.273  859.915   73.539  1080.80   91.109  446.974  124.572  292.571   12.470  182.230   28.292 110.3408 30.91840 
1 1 1    5   -6   27 o  194.113   12.881  478.448   62.086  651.513   92.852  338.504   83.496  225.490   16.607  160.624   21.345 64.86549 27.04412 
1 1 1    5   -6   28 o   39.149   14.368   15.665   18.408  -0.0881   23.719   39.522   29.190   35.464   15.143   56.227   18.209 -20.76313 23.68276 
1 1 1    5   -6   29 o  168.826   10.435  360.683   43.775  484.037   55.360  154.851   71.511  195.436   11.393  105.982   26.957 89.45435 29.26572 
1 1 1    5   -6   30 o   93.060   12.033  111.466   27.308  152.517   35.500   51.971   42.738  108.765   13.351   64.853   22.064 43.91138 25.78878 
1 1 1    5   -6   31 o   34.617   15.481 -10.5689   27.442 -10.5689   27.442   0.0000   0.0000   34.617   15.481  ?   ?  0.000000 15.48115 
1 1 1    5   -6   32 o   94.148   12.316  114.927   28.261  201.357   37.311  -1.3900   43.284  125.103   12.094   46.555   20.172 78.54815 23.51974 
1 1 1    5   -6   33 o   50.885   16.307   33.441   23.456   50.807   31.630   12.220   34.965   61.506   18.829   46.047   18.928 15.45865 26.69818 
1 1 1    5   -6   34 o   88.003   13.759  102.745   29.247  150.179   38.960   41.500   44.270  106.168   15.122   59.478   22.198 46.68966 26.85959 
1 1 1    5   -6   35 o   33.802   15.259 -11.2382   27.363   74.633   56.456 -37.6043   31.283   72.606   25.331   30.639   14.626 41.96758 29.25064 
1 1 1    5   -6   36 o   59.713   21.249   47.311   39.875   0.0000   0.0000   47.311   39.875  ?   ?    59.713   21.249 0.000000 21.24882 
1 1 1    5   -6   37 o  128.350   12.852  218.645   40.637  346.999   53.677   46.292   62.200  161.519   13.430   63.191   25.516 98.32867 28.83468 
1 1 1    5   -6   38 o   99.493   14.849  135.967   35.764  236.252   49.096   22.594   52.201  131.275   15.261   53.692   22.676 77.58315 27.33302 
1 1 1    5   -6   39 o   66.348   25.980   65.956   62.569   65.956   62.569   0.0000   0.0000   66.348   25.980  ?   ?  0.000000 25.97979 
1 1 1    5   -5    0 o  120.585   7.7155  182.629   23.111  188.681   32.786  176.651   32.583  122.229   10.855  118.196   11.172 4.032845 15.57649 
1 1 1    5   -5    1 o  268.753   10.150  904.753   68.120  916.850   96.394  892.685   96.277  269.734   14.363  266.115   14.543 3.618805 20.43964 
1 1 1    5   -5    2 f  186.354   8.6191  434.607   40.110  451.514   56.819  417.812   56.629  189.356   12.079  182.061   12.532 7.295166 17.40582 
1 1 1    5   -5    3 o   77.159   7.7675   75.218   14.763   75.942   20.999   74.510   20.759   77.044   11.246   76.302   11.231 0.7427444 15.89346 
1 1 1    5   -5    4 o  185.927   8.6665  432.490   40.238  423.811   56.920  441.161   56.891  183.433   12.501  187.200   12.237 -3.767059 17.49329 
1 1 1    5   -5    5 o  327.361   11.665  1342.29   95.356  1289.24  134.791  1395.45  134.916  319.829   16.937  333.291   16.210 -13.46176 23.44441 
1 1 1    5   -5    6 o  523.438   16.695  3439.87  218.228  3426.77  308.570  3452.98  308.672  520.985   23.718  522.994   23.635 -2.008789 33.48346 
1 1 1    5   -5    7 o  666.266   29.504  5624.92  490.883  5912.78  694.562  5337.65  693.865  677.240   41.266  642.204   43.523 35.03625 59.97652 
1 1 1    5   -5    8 o  457.409   21.244  2630.65  242.654  2794.76  343.260  2466.72  343.068  469.073   29.454  440.046   31.427 29.02679 43.07159 
1 1 1    5   -5    9 f  436.349   14.373  2384.46  156.618  2410.56  221.320  2358.28  221.663  438.087   20.231  433.278   20.487 4.809082 28.79220 
1 1 1    5   -5   10 o  573.967   17.725  4131.53  254.057  4322.09  359.259  3940.90  359.324  585.871   24.556  559.208   25.731 26.66229 35.56809 
1 1 1    5   -5   11 o  825.755   25.012  8588.39  515.758  8529.62  729.086  8647.25  729.697  819.269   35.637  824.986   35.420 -5.717285 50.24495 
1 1 1    5   -5   12 o  682.993   21.102  5861.66  359.903  5749.92  508.548  5973.77  509.412  674.210   30.206  687.362   29.678 -13.15228 42.34559 
1 1 1    5   -5   13 o  376.223   17.761  1775.75  166.868  1634.28  234.209  1921.59  237.807  358.977   26.310  389.774   24.558 -30.79721 35.99026 
1 1 1    5   -5   14 o  367.357   14.158  1690.56  129.882  1752.07  158.425  1564.48  226.829  373.710   16.976  351.082   26.059 22.62897 31.10039 
1 1 1    5   -5   15 o  126.508   9.6152  201.326   30.149  242.954   40.706  150.745   44.871  138.808   11.857  108.273   17.168 30.53521 20.86495 
1 1 1    5   -5   16 o  147.738   8.8651  273.971   32.555  276.900   43.846  270.372   48.599  148.212   11.948  146.253   13.458 1.958862 17.99639 
1 1 1    5   -5   17 o  180.609   9.0138  408.140   40.654  457.641   55.592  351.241   59.602  190.754   11.727  166.656   14.465 24.09785 18.62177 
1 1 1    5   -5   18 o  557.459   17.667  3917.26  245.941  4007.94  347.053  3825.77  348.578  561.317   24.759  548.119   25.467 13.19757 35.51867 
1 1 1    5   -5   19 o  177.015   12.587  395.444   55.279  400.922   79.174  390.235   77.215  177.240   18.144  174.882   17.935 2.358322 25.51195 
1 1 1    5   -5   20 o  139.403   9.7622  244.814   33.769  256.026   41.448  222.676   58.240  142.295   11.770  131.410   18.240 10.88483 21.70757 
1 1 1    5   -5   21 o  239.012   10.800  717.393   64.460  879.395   79.412  404.490  110.365  264.444   12.026  175.383   25.986 89.06165 28.63366 
1 1 1    5   -5   22 o  187.378   10.118  442.119   47.168  559.000   58.239  219.273   80.416  210.588   11.114  128.029   26.039 82.55927 28.31205 
1 1 1    5   -5   23 o  312.727   12.978  1233.28  101.351  1409.24  124.632  889.717  174.149  333.753   14.954  260.071   27.218 73.68222 31.05557 
1 1 1    5   -5   24 o  239.539   20.187  739.504  119.629  739.504  119.629   0.0000   0.0000  239.539   20.187  ?   ?  0.000000 20.18714 
1 1 1    5   -5   25 o  106.376   10.332  143.591   27.099  174.455   33.893   88.897   45.119  117.102   11.749   81.679   21.738 35.42352 24.70984 
1 1 1    5   -5   26 o  172.183   10.096  374.001   43.219  460.204   53.837  217.750   72.482  190.817   11.350  127.836   23.574 62.98090 26.16377 
1 1 1    5   -5   27 o  104.471   10.760  138.820   27.670  136.000   34.872  143.615   45.465  102.753   13.951  104.647   18.050 -1.893890 22.81301 
1 1 1    5   -5   28 f  126.588   13.575  205.097   42.243  224.911   66.040  191.376   54.956  130.581   20.962  120.875   18.819 9.705910 28.16986 
1 1 1    5   -5   29 o  117.458   10.597  175.210   30.749  234.672   39.494   83.690   48.997  135.840   11.759   79.294   23.242 56.54585 26.04741 
1 1 1    5   -5   30 f   60.242   14.911   48.018   22.310   69.463   29.418   18.986   34.228   72.298   16.640   48.873   19.192 23.42543 25.40100 
1 1 1    5   -5   31 f   75.410   14.062   74.674   25.507  103.294   33.556   35.508   39.255   88.587   15.746   57.194   20.984 31.39263 26.23454 
1 1 1    5   -5   32 o  117.959   11.630  178.300   33.813  217.182   43.706  120.338   53.363  129.696   13.702   93.361   23.031 36.33416 26.79921 
1 1 1    5   -5   33 o   43.466   16.082   19.797   23.137   49.695   30.633 -19.9100   35.302   61.103   18.493   37.391   17.056 23.71275 25.15749 
1 1 1    5   -5   34 o  147.564   10.876  279.234   39.794  400.008   51.576  101.578   62.554  176.374   11.778   84.220   26.592 92.15393 29.08358 
1 1 1    5   -5   35 o  182.456   10.793  427.833   48.958  615.361   63.042  142.899   77.709  218.464   11.597   96.373   29.514 122.0915 31.71127 
1 1 1    5   -5   36 o   63.788   19.954   56.742   35.308  255.491   72.717  -4.5710   40.388  133.227   22.669   43.249   19.092 89.97885 29.63754 
1 1 1    5   -5   37 o   55.107   19.604   39.166   33.938   70.369   65.743   27.829   39.627   71.246   26.954   52.244   20.607 19.00167 33.92907 
1 1 1    5   -5   38 o   68.241   17.640   66.444   30.280  120.678   42.235   9.0798   43.436   91.639   19.076   47.545   20.401 44.09415 27.93047 
1 1 1    5   -5   39 o  125.457   13.424  211.897   41.403  307.098   56.202   98.910   61.227  149.752   15.241   78.010   26.409 71.74213 30.49171 
1 1 1    5   -5   40 o   66.735   26.000   68.011   62.421   68.011   62.421   0.0000   0.0000   66.735   26.000  ?   ?  0.000000 25.99958 
1 1 1    5   -4    0 o  235.043   13.587  695.711   79.406  619.828  112.167  771.947  112.428  220.542   20.606  246.794   18.374 -26.25171 27.60801 
1 1 1    5   -4    1 o  277.413   14.976  970.088  103.364  944.487  146.172  995.693  146.185  272.304   21.676  279.779   21.078 -7.474884 30.23460 
1 1 1    5   -4    2 o  282.749   10.557  1001.65   74.542  997.901  105.427  1005.40  105.409  281.325   15.062  282.393   15.002 -1.068329 21.25789 
1 1 1    5   -4    3 o  229.796   9.4045  661.156   53.967  695.476   76.430  627.031   76.213  235.025   13.074  223.021   13.752 12.00345 18.97488 
1 1 1    5   -4    4 o  232.523   9.3842  676.863   54.489  716.920   77.158  637.010   76.962  238.667   12.995  224.816   13.775 13.85049 18.93740 
1 1 1    5   -4    5 o  314.162   11.326  1236.70   88.851  1219.68  125.632  1253.73  125.676  311.000   16.233  315.364   16.011 -4.364502 22.80046 
1 1 1    5   -4    6 o  499.756   16.138  3137.81  201.403  3106.11  284.771  3169.55  284.882  495.647   23.008  500.744   22.782 -5.096771 32.37882 
1 1 1    5   -4    7 o  881.972   26.863  9853.74  591.643  9657.43  836.462 10050.28  836.957  866.518   38.656  884.472   37.894 -17.95398 54.13165 
1 1 1    5   -4    8 o  675.097   20.941  5733.21  353.038  5766.03  499.245  5700.38  499.298  674.512   29.640  670.602   29.816 3.909973 42.04143 
1 1 1    5   -4    9 o  172.204   12.024  372.882   51.379  368.512   72.184  377.370   73.149  170.557   17.182  172.612   17.199 -2.054794 24.31116 
1 1 1    5   -4   10 o  101.495   7.7632  129.484   19.527  130.353   26.917  128.519   28.370  101.522   10.782  100.710   11.486 0.8126450 15.75416 
1 1 1    5   -4   11 o  267.186   10.458  892.703   69.779  984.825   98.429  799.630   98.937  280.106   14.117  252.140   15.793 27.96617 21.18286 
1 1 1    5   -4   12 o  232.698   9.7271  676.979   56.523  677.956   79.300  675.969   80.588  232.312   13.730  231.945   13.979 0.3672028 19.59413 
1 1 1    5   -4   13 o  598.577   24.228  4511.00  362.150   0.0000   0.0000  4511.00  362.150  ?   ?   598.577   24.228 0.000000 24.22800 
1 1 1    5   -4   14 o  651.655   28.902  5369.00  470.316  5369.00  470.316   0.0000   0.0000  651.655   28.902  ?   ?  0.000000 28.90159 
1 1 1    5   -4   15 o  818.112   34.731  8523.64  709.543  7570.00  1000.76  9487.61  1006.16  759.535   53.097  854.851   47.317 -95.31622 71.12112 
1 1 1    5   -4   16 o  386.866   13.075  1874.72  126.318  1889.10  177.865  1860.09  179.428  387.741   18.370  384.711   18.677 3.029663 26.19666 
1 1 1    5   -4   17 o  119.718   9.5260  180.444   28.243  199.394   37.801  156.497   42.493  125.576   12.209  110.542   15.847 15.03345 20.00447 
1 1 1    5   -4   18 o  458.795   15.226  2644.21  174.447  2734.20  245.891  2553.02  247.528  465.226   21.165  449.321   22.061 15.90448 30.57196 
1 1 1    5   -4   19 o  228.727   9.6405  655.113   55.064  738.320   76.094  563.648   79.781  242.244   12.623  211.167   15.232 31.07712 19.78233 
1 1 1    5   -4   20 o  134.353   10.350  227.608   34.458  318.888   56.414  173.284   43.520  158.562   14.405  116.315   15.359 42.24685 21.05677 
1 1 1    5   -4   21 o  410.838   15.553  2129.78  159.559  2280.28  195.795  1832.21  275.312  424.190   18.484  374.888   29.650 49.30191 34.93991 
1 1 1    5   -4   22 o  323.769   13.639  1321.04  110.272  1328.92  135.181  1305.36  190.641  323.551   16.789  317.874   24.198 5.676727 29.45195 
1 1 1    5   -4   23 o  246.297   11.676  763.122   71.812  743.596   88.094  801.796  123.981  242.185   14.635  249.908   20.035 -7.722763 24.81110 
1 1 1    5   -4   24 o  169.810   10.147  363.493   42.833  396.309   52.946  301.340   72.866  177.002   12.050  152.473   19.590 24.52899 22.99993 
1 1 1    5   -4   25 o  184.238   18.180  436.443   82.552  436.443   82.552   0.0000   0.0000  184.238   18.180  ?   ?  0.000000 18.18012 
1 1 1    5   -4   26 o  109.408   10.132  151.715   27.369  162.374   34.309  133.064   45.385  112.820   12.381  100.564   18.763 12.25571 22.47989 
1 1 1    5   -4   27 f   66.211   12.332   57.036   19.640   80.714   25.276   20.958   31.201   78.888   13.304   48.401   18.507 30.48650 22.79260 
1 1 1    5   -4   28 o   81.008   11.767   84.415   23.107  105.692   29.655   51.536   36.864   90.459   13.545   63.860   20.441 26.59880 24.52093 
1 1 1    5   -4   29 o  144.027   9.9561  262.161   35.589  369.721   45.398   90.688   57.321  171.017   10.684   82.853   25.344 88.16434 27.50432 
1 1 1    5   -4   30 o  147.632   12.649  277.631   46.181  477.292   74.512  153.099   58.847  193.014   15.592  106.629   22.791 86.38467 27.61445 
1 1 1    5   -4   31 o  151.389   10.439  290.359   39.222  385.748   50.457  144.727   62.345  174.306   11.659  102.906   24.596 71.40029 27.21927 
1 1 1    5   -4   32 o   73.882   14.452   71.954   25.708   80.308   34.203   61.106   38.975   77.379   18.034   68.112   20.909 9.266602 27.61219 
1 1 1    5   -4   33 o   75.828   14.361   75.975   26.198   60.944   34.672   95.975   39.994   67.375   19.495   84.064   19.440 -16.68954 27.53113 
1 1 1    5   -4   34 o   51.670   19.968   25.329   36.589   25.329   36.589   0.0000   0.0000   51.670   19.968  ?   ?  0.000000 19.96799 
1 1 1    5   -4   35 o  228.959   11.128  670.136   63.626  885.409   80.887  320.756  103.046  262.477   12.341  147.139   29.076 115.3380 31.58641 
1 1 1    5   -4   36 o   80.811   19.910   92.133   39.918   92.133   39.918   0.0000   0.0000   80.811   19.910  ?   ?  0.000000 19.91034 
1 1 1    5   -4   37 o   48.887   17.152   29.730   25.902   79.038   36.834 -18.5060   36.431   74.498   19.552   37.734   17.257 36.76405 26.07881 
1 1 1    5   -4   38 o  109.925   16.269  165.360   43.310  380.485   78.044   69.632   52.061  164.880   19.321   69.625   24.323 95.25524 31.06349 
1 1 1    5   -4   39 o  121.482   13.388  197.329   39.940  269.529   54.358  112.617   58.880  140.473   15.768   84.370   25.662 56.10291 30.11916 
1 1 1    5   -4   40 o   49.135   18.372   29.561   30.352   42.757   45.321   18.829   40.871   57.698   22.244   48.739   20.288 8.958881 30.10669 
1 1 1    5   -4   41 o  114.271   15.701  183.466   43.619  241.531   61.595  125.054   61.779  127.183   20.059   85.233   26.351 41.94997 33.11721 
1 1 1    5   -3    0 o  302.843   11.093  1148.65   83.895  1149.02  118.658  1148.27  118.633  302.014   15.788  301.915   15.790 0.9945679E-01 22.32905 
1 1 1    5   -3    1 o  341.935   12.012  1465.43  102.571  1448.06  145.049  1482.79  145.065  338.802   17.201  343.313   16.921 -4.511261 24.12828 
1 1 1    5   -3    2 o  171.528   11.944  370.621   50.842  352.495   71.909  388.740   71.894  166.388   17.572  174.984   16.654 -8.596024 24.21022 
1 1 1    5   -3    3 o  209.666   12.901  553.690   67.216  557.451   95.181  549.948   94.936  209.451   18.384  208.008   18.469 1.443481 26.05881 
1 1 1    5   -3    4 o  233.897   13.540  689.233   78.745  720.695  111.575  658.009  111.152  238.204   18.913  227.358   19.774 10.84660 27.36268 
1 1 1    5   -3    5 o  373.560   12.807  1751.05  119.471  1758.99  168.970  1743.11  168.946  373.482   18.117  371.776   18.198 1.706207 25.67854 
1 1 1    5   -3    6 o  298.564   10.908  1116.70   81.326  1062.03  114.958  1171.48  115.067  290.192   15.925  305.336   15.091 -15.14410 21.93932 
1 1 1    5   -3    7 o  523.240   16.650  3441.15  217.559  3335.51  307.549  3546.96  307.801  513.323   23.992  529.556   23.276 -16.23291 33.42756 
1 1 1    5   -3    8 o  386.135   13.097  1868.04  126.287  1943.25  178.639  1792.90  178.555  393.208   18.193  377.106   19.022 16.10187 26.32162 
1 1 1    5   -3    9 o  412.274   13.801  2129.03  142.085  2144.21  200.854  2113.81  201.023  413.089   19.471  410.129   19.628 2.959778 27.64729 
1 1 1    5   -3   10 o  484.644   15.585  2943.47  188.612  2959.96  266.603  2926.94  266.872  485.118   22.007  482.381   22.155 2.737000 31.22735 
1 1 1    5   -3   11 o  625.086   27.645  4931.23  431.533  5311.52  610.768  4552.14  609.794  644.600   38.113  595.373   41.270 49.22662 56.17622 
1 1 1    5   -3   12 o  515.395   16.512  3329.03  212.516  3364.52  300.368  3293.46  300.720  517.190   23.257  511.653   23.536 5.536652 33.08831 
1 1 1    5   -3   13 o  657.435   23.718  5438.25  389.394  5731.62  476.932  4851.67  674.385  673.834   28.343  613.695   44.303 60.13928 52.59388 
1 1 1    5   -3   14 o  505.754   16.067  3205.42  202.923  3331.93  286.715  3078.46  287.238  514.769   22.304  494.651   23.254 20.11777 32.22129 
1 1 1    5   -3   15 o  1104.08   33.487 15478.41  923.274 15446.47  1305.38 15510.38  1306.04  1093.52   47.803  1095.84   47.726 -2.318848 67.54964 
1 1 1    5   -3   16 o  702.817   21.459  6214.92  376.623  6500.99  532.512  5928.61  532.739  716.284   29.771  683.530   31.211 32.75311 43.13271 
1 1 1    5   -3   17 o  319.773   16.622  1286.95  132.271  1288.10  184.022  1285.72  190.253  318.708   23.283  318.233   24.120 0.4747009 33.52429 
1 1 1    5   -3   18 o  406.331   13.324  2069.83  135.194  1963.31  189.990  2179.10  192.418  394.868   19.268  416.137   18.517 -21.26889 26.72273 
1 1 1    5   -3   19 o  147.038   8.7923  271.475   32.136  251.146   43.047  297.068   48.299  141.001   12.350  153.390   12.724 -12.38969 17.73215 
1 1 1    5   -3   20 o  129.995   8.8980  212.520   28.711  239.320   38.097  177.286   43.681  137.720   11.174  117.765   15.209 19.95509 18.87228 
1 1 1    5   -3   21 o  202.644   10.596  516.334   53.433  522.676   65.572  503.802   92.181  203.538   12.969  198.674   18.804 4.863571 22.84237 
1 1 1    5   -3   22 o  139.170   12.266  245.312   42.193  221.682   61.367  266.498   58.106  130.809   19.372  144.329   16.414 -13.52051 25.39101 
1 1 1    5   -3   23 o  172.389   9.7659  374.032   41.868  454.079   51.792  223.058   71.127  189.811   10.973  130.222   22.698 59.58943 25.21120 
1 1 1    5   -3   24 o  129.706   9.7463  212.337   31.338  208.805   38.718  219.044   53.359  128.219   12.241  130.419   16.773 -2.200714 20.76459 
1 1 1    5   -3   25 o  340.207   13.986  1461.77  118.824  1509.94  145.904  1366.90  204.760  344.851   16.943  323.828   25.528 21.02271 30.63876 
1 1 1    5   -3   26 o   68.199   11.829   60.223   19.415   92.659   24.714   7.9367   31.378   84.955   11.982   43.508   17.913 41.44719 21.55118 
1 1 1    5   -3   27 o   49.450   17.103   28.247   25.710   28.247   25.710   0.0000   0.0000   49.450   17.103  ?   ?  0.000000 17.10309 
1 1 1    5   -3   28 o  156.444   10.069  308.917   39.129  365.532   49.208  211.562   64.528  169.936   11.666  126.734   21.134 43.20277 24.13995 
1 1 1    5   -3   29 o  170.741   10.587  368.260   44.917  387.393   56.133  334.200   74.893  174.643   12.964  160.516   19.056 14.12741 23.04784 
1 1 1    5   -3   30 o   46.148   15.023   26.169   19.856   53.838   26.450  -9.5534   30.054   63.824   16.481   36.972   16.388 26.85221 23.24185 
1 1 1    5   -3   31 o  154.459   13.001  304.094   49.680  436.921   78.530  215.467   64.147  184.049   17.289  127.612   20.850 56.43754 27.08560 
1 1 1    5   -3   32 o  195.409   10.889  483.557   52.922  566.389   66.777  343.668   86.780  211.006   12.733  160.911   22.186 50.09502 25.58049 
1 1 1    5   -3   33 o   80.568   13.685   84.904   26.547   62.998   34.917  114.915   40.869   68.622   19.473   92.731   18.299 -24.10891 26.72148 
1 1 1    5   -3   34 o  131.350   11.010  220.433   35.779  307.155   46.918   99.908   55.311  154.817   12.235   84.835   24.645 69.98151 27.51526 
1 1 1    5   -3   36 o   72.911   15.835   72.124   28.006  121.439   37.746   11.731   41.771   94.891   16.530   48.920   20.449 45.97077 26.29478 
1 1 1    5   -3   37 o   58.319   17.159   46.476   26.660   74.407   38.060   19.567   37.357   72.531   20.243   49.132   19.797 23.39857 28.31437 
1 1 1    5   -3   38 o   68.768   16.918   65.912   28.854  191.157   41.550 -50.7423   40.100  119.836   14.158   33.939   16.297 85.89728 21.58823 
1 1 1    5   -3   39 o   72.391   17.635   74.117   31.586  118.234   45.192   31.985   44.164   90.273   20.513   54.985   21.734 35.28856 29.88557 
1 1 1    5   -3   40 o   49.187   18.302   29.072   30.049   55.337   45.390   8.5792   40.093   62.877   22.639   45.861   19.637 17.01676 29.96914 
1 1 1    5   -3   41 o   50.059   18.817   30.933   31.923   77.119   48.231  -5.0731   42.585   70.448   23.438   43.027   19.261 27.42068 30.33665 
1 1 1    5   -2    0 o  405.306   13.535  2059.28  136.988  2161.78  193.878  1957.10  193.583  414.517   18.730  394.254   19.663 20.26352 27.15559 
1 1 1    5   -2    1 o  243.103   9.7266  739.526   59.048  765.895   83.546  713.206   83.466  246.770   13.610  238.038   14.104 8.731079 19.60030 
1 1 1    5   -2    2 o  197.837   8.8290  489.646   43.618  482.858   61.694  496.430   61.677  195.853   12.682  198.620   12.499 -2.767044 17.80634 
1 1 1    5   -2    3 o  203.232   8.8967  516.832   45.151  509.516   63.883  524.134   63.825  201.156   12.784  204.058   12.587 -2.902298 17.94015 
1 1 1    5   -2    4 o  131.529   7.8382  217.166   25.628  226.634   36.326  207.785   36.161  134.046   10.948  128.253   11.410 5.792664 15.81264 
1 1 1    5   -2    5 o  296.254   15.573  1107.04  114.803  1109.96  162.472  1104.12  162.242  295.117   22.209  294.328   22.238 0.7881775 31.42885 
1 1 1    5   -2    6 o  141.383   11.276  252.118   39.481  200.318   55.882  303.744   55.788  124.708   18.506  154.798   14.605 -30.09000 23.57446 
1 1 1    5   -2    7 o  374.585   12.792  1759.88  119.657  1745.27  169.226  1774.48  169.216  372.169   18.209  375.299   18.056 -3.130096 25.64295 
1 1 1    5   -2    8 o  467.995   15.236  2749.48  178.062  2669.93  251.709  2829.17  251.926  459.851   21.919  473.510   21.306 -13.65918 30.56778 
1 1 1    5   -2    9 o  395.513   13.311  1959.87  131.465  1947.02  185.850  1972.73  185.990  393.532   18.912  396.137   18.802 -2.605438 26.66742 
1 1 1    5   -2   10 o  684.972   21.269  5901.46  363.815  6052.11  514.602  5750.90  514.421  691.221   29.813  673.549   30.584 17.67261 42.71075 
1 1 1    5   -2   11 o  441.301   14.449  2439.05  159.227  2433.29  224.988  2444.84  225.375  440.101   20.472  441.146   20.458 -1.044922 28.94205 
1 1 1    5   -2   12 o  454.273   17.158  2587.10  194.644  2388.93  336.678  2686.59  238.551  433.410   31.318  462.506   20.654 -29.09616 37.51587 
1 1 1    5   -2   13 o  449.123   20.613  2532.97  231.182  2310.36  326.194  2757.64  327.692  426.365   30.845  466.626   28.255 -40.26083 41.83030 
1 1 1    5   -2   14 o  263.215   10.209  866.280   67.106  835.027   94.261  898.398   95.557  257.812   14.702  267.483   14.358 -9.671204 20.55043 
1 1 1    5   -2   15 o  366.751   12.671  1683.26  116.043  1814.60  163.724  1550.68  164.497  380.423   17.234  351.031   18.834 29.39151 25.52948 
1 1 1    5   -2   16 o  914.201   27.871 10559.16  636.280 10467.16  899.422 10651.34  900.251  904.704   39.811  912.800   39.495 -8.096191 56.07816 
1 1 1    5   -2   17 o  468.237   15.030  2748.06  175.737  2744.17  247.919  2751.99  249.144  467.007   21.259  467.659   21.334 -0.6523438 30.11754 
1 1 1    5   -2   18 o  276.552   16.761  963.761  115.206  1157.54  159.812  754.098  166.231  302.381   21.300  242.333   27.984 60.04868 35.16821 
1 1 1    5   -2   19 o  277.242   10.354  962.146   71.683  965.247   99.926  958.858  102.888  276.978   14.498  275.985   14.985 0.9932251 20.85026 
1 1 1    5   -2   20 o  142.033   8.9195  253.438   31.475  269.182   42.165  233.624   47.303  146.089   11.655  135.678   14.170 10.41095 18.34770 
1 1 1    5   -2   21 o  179.049   10.248  402.996   45.628  401.885   55.951  405.203   78.840  178.488   12.635  178.310   17.950 0.1778107 21.95080 
1 1 1    5   -2   22 o  273.904   11.825  941.967   80.884  1061.74   99.398  707.187  139.163  290.520   13.701  234.123   24.150 56.39772 27.76539 
1 1 1    5   -2   23 o  116.714   11.977  172.973   34.412  190.703   50.901  158.046   46.702  121.596   17.246  110.428   17.521 11.16830 24.58504 
1 1 1    5   -2   24 o  219.821   10.751  606.933   59.017  661.482   72.718  501.666  101.017  228.861   12.775  197.230   20.825 31.63026 24.43117 
1 1 1    5   -2   25 o  449.379   16.852  2561.19  189.112  2776.01  232.129  2137.21  326.110  466.404   19.930  400.771   32.874 65.63300 38.44416 
1 1 1    5   -2   26 o  134.412   9.7237  227.994   32.417  273.785   40.566  147.081   53.924  147.135   11.123  105.376   21.226 41.75861 23.96381 
1 1 1    5   -2   27 o  128.553   9.8592  208.771   31.409  246.416   39.412  143.245   51.996  139.470   11.416  104.018   20.745 35.45210 23.67901 
1 1 1    5   -2   28 o   42.670   16.400   15.634   24.579   15.634   24.579   0.0000   0.0000   42.670   16.400  ?   ?  0.000000 16.39986 
1 1 1    5   -2   29 o  140.197   10.322  248.470   35.881  245.733   44.899  253.307   59.691  138.898   13.099  140.001   17.453 -1.102661 21.82169 
1 1 1    5   -2   30 o   50.044   14.701   32.298   19.583   42.519   25.965   18.814   29.824   57.315   16.953   46.801   18.044 10.51338 24.75913 
1 1 1    5   -2   31 o  126.423   10.709  202.702   33.491  252.670   43.137  126.885   53.137  140.910   12.385   97.144   22.367 43.76582 25.56665 
1 1 1    5   -2   32 o  284.891   12.145  1026.06   86.401  1172.05  107.390  758.109  145.486  303.814   14.155  239.225   24.710 64.58842 28.47680 
1 1 1    5   -2   33 o   68.128   17.872   61.928   30.783   50.854   56.444   66.616   36.726   67.980   25.125   70.665   19.942 -2.685661 32.07765 
1 1 1    5   -2   34 o   77.646   14.025   79.235   26.193  114.368   35.628   37.906   38.642   93.136   15.889   57.785   20.877 35.35122 26.23537 
1 1 1    5   -2   35 o  123.386   14.387  198.121   43.497  408.390   76.223   96.583   52.968  176.237   17.553   83.355   24.089 92.88191 29.80623 
1 1 1    5   -2   36 o  135.542   11.441  236.172   38.362  309.609   50.417  135.198   59.119  154.630   13.183   97.346   24.374 57.28478 27.71089 
1 1 1    5   -2   37 o  139.014   21.508  268.932   72.251  268.932   72.251   0.0000   0.0000  139.014   21.508  ?   ?  0.000000 21.50758 
1 1 1    5   -2   38 o   85.534   14.577   98.323   30.019  202.479   42.634  -4.0835   42.274  123.721   14.049   44.463   19.585 79.25847 24.10270 
1 1 1    5   -2   39 o   38.422   15.983   7.2181   25.340   1.4396   37.994   11.848   34.009   43.500   18.874   44.691   18.547 -1.190567 26.46141 
1 1 1    5   -2   40 o   46.743   17.795   23.865   28.767  144.500   43.644 -68.8048   38.252  101.582   17.857   30.190   14.813 71.39218 23.20135 
1 1 1    5   -2   41 f   39.387   17.289  -1.2636   32.690   63.590   73.461 -17.2775   36.504   68.784   27.746   37.512   17.199 31.27241 32.64415 
1 1 1    5   -2   42 o   32.740   15.165 -18.3568   29.427 -22.9977   47.822 -15.5287   37.331   41.649   19.306   37.998   17.411 3.651066 25.99773 
1 1 1    5   -1    0 o  380.758   12.723  1815.94  120.977  1848.99  171.123  1782.92  171.051  383.615   17.863  376.656   18.186 6.959290 25.49161 
1 1 1    5   -1    1 o  107.270   7.6042  144.567   20.238  142.207   28.615  146.928   28.626  106.027   10.966  107.815   10.777 -1.787941 15.37494 
1 1 1    5   -1    2 o  161.630   8.2300  327.522   33.108  336.948   46.837  318.109   46.806  163.629   11.536  158.927   11.880 4.702301 16.55946 
1 1 1    5   -1    3 f  158.081   8.1897  313.367   32.219  306.952   45.563  319.782   45.565  156.089   11.776  159.365   11.527 -3.276245 16.47887 
1 1 1    5   -1    4 f  173.074   8.3745  374.722   36.195  372.321   51.221  377.117   51.153  171.933   12.005  173.054   11.909 -1.120682 16.91039 
1 1 1    5   -1    5 f  299.081   10.974  1120.84   81.959  1136.78  115.961  1104.93  115.853  300.275   15.518  295.987   15.731 4.288330 22.09641 
1 1 1    5   -1    6 o  468.940   15.300  2765.50  179.170  2766.33  253.409  2764.67  253.362  467.317   21.715  467.176   21.717 0.1412659 30.71139 
1 1 1    5   -1    7 o  255.982   14.134  825.491   89.997  716.399  127.173  934.932  127.376  236.920   21.738  271.564   18.901 -34.64337 28.80564 
1 1 1    5   -1    8 o  118.614   10.675  177.615   31.282  199.055   44.555  156.773   43.929  125.084   14.535  110.480   16.422 14.60316 21.93083 
1 1 1    5   -1    9 o  503.252   16.205  3180.72  203.654  3111.29  287.912  3250.25  288.110  496.207   23.235  507.294   22.743 -11.08630 32.51336 
1 1 1    5   -1   10 o  563.685   17.864  3990.31  251.465  4001.33  355.587  3979.29  355.662  562.831   25.300  561.260   25.376 1.571289 35.83326 
1 1 1    5   -1   11 f  377.357   18.226  1787.24  171.753   0.0000   0.0000  1787.24  171.753  ?   ?   377.357   18.226 0.000000 18.22646 
1 1 1    5   -1   12 o  552.966   24.951  3851.70  344.536  3851.70  344.536   0.0000   0.0000  552.966   24.951  ?   ?  0.000000 24.95086 
1 1 1    5   -1   13 o  337.561   11.962  1425.49  100.832  1496.88  142.372  1353.65  142.826  345.609   16.496  328.124   17.494 17.48566 24.04522 
1 1 1    5   -1   14 o  638.878   28.132  5150.02  448.822  5579.62  635.316  4722.00  634.147  660.875   38.665  606.482   42.133 54.39276 57.18548 
1 1 1    5   -1   15 o  397.070   15.519  1975.03  153.878  1960.29  188.288  2004.68  267.015  395.256   19.076  397.830   27.038 -2.573975 33.09003 
1 1 1    5   -1   16 o  244.169   9.6087  745.376   58.587  703.669   81.987  788.895   83.751  236.660   13.935  250.682   13.428 -14.02217 19.35122 
1 1 1    5   -1   17 o  826.161   25.205  8606.81  519.991  8339.75  734.710  8874.83  736.048  808.950   36.370  834.988   35.300 -26.03833 50.68406 
1 1 1    5   -1   18 o  507.595   16.272  3232.17  206.252  3120.46  290.913  3345.08  292.463  497.500   23.416  515.239   22.731 -17.73804 32.63444 
1 1 1    5   -1   19 o  302.425   10.541  1144.64   79.610  1091.85  111.257  1200.02  113.962  294.617   15.174  309.310   14.754 -14.69247 21.16447 
1 1 1    5   -1   20 o  128.892   12.906  210.349   40.981  218.434   51.117  195.801   68.565  130.900   15.969  122.445   23.275 8.454941 28.22618 
1 1 1    5   -1   21 o  229.088   10.996  657.630   62.905  670.083   77.113  632.861  108.754  230.656   13.446  223.007   19.733 7.649460 23.87832 
1 1 1    5   -1   22 o  104.352   9.6462  137.565   24.852  110.817   30.519  190.219   42.819   92.952   13.546  122.170   14.306 -29.21780 19.70174 
1 1 1    5   -1   23 o  259.005   11.707  842.389   75.722  879.232   92.935  769.623  130.607  263.893   14.154  245.016   21.566 18.87741 25.79609 
1 1 1    5   -1   24 o  406.305   15.903  2086.05  161.358  2115.91  197.809  2026.65  278.955  408.015   19.414  394.412   28.515 13.60254 34.49641 
1 1 1    5   -1   25 o  373.323   18.796  1776.55  174.668  1565.22  247.495  1986.26  246.543  345.510   28.952  391.582   25.349 -46.07159 38.48077 
1 1 1    5   -1   26 o  228.279   11.322  655.318   64.542  590.386   79.246  783.259  111.236  215.643   14.806  247.577   18.118 -31.93382 23.39815 
1 1 1    5   -1   27 o  145.751   9.9787  268.023   36.101  273.935   44.861  257.160   60.810  146.960   12.338  141.196   17.631 5.763657 21.51933 
1 1 1    5   -1   28 o  178.700   10.228  402.562   45.452  449.968   56.507  315.674   76.501  188.623   12.060  155.892   20.121 32.73186 23.45836 
1 1 1    5   -1   29 f  307.047   12.605  1189.06   96.647  1352.26  119.239  876.479  165.016  326.881   14.608  258.350   25.928 68.53119 29.75949 
1 1 1    5   -1   30 o  184.962   18.761  441.344   85.453  441.344   85.453   0.0000   0.0000  184.962   18.761  ?   ?  0.000000 18.76056 
1 1 1    5   -1   31 f  103.100   11.273  135.470   28.551  151.251   36.966  112.137   44.948  108.454   13.974   91.753   20.167 16.70096 24.53547 
1 1 1    5   -1   32 o  321.241   13.516  1306.72  108.427  1368.77  133.934  1188.74  184.698  327.714   16.366  300.584   24.829 27.13062 29.73728 
1 1 1    5   -1   33 o  126.346   10.997  202.902   34.352  215.642   44.342  183.780   54.324  129.616   13.918  118.101   19.070 11.51548 23.60825 
1 1 1    5   -1   34 o   83.802   16.824   93.241   33.984  133.480   62.715   76.513   40.436   98.342   25.370   75.396   20.800 22.94624 32.80668 
1 1 1    5   -1   35 o   61.804   19.647   49.604   34.102   49.604   34.102   0.0000   0.0000   61.804   19.647  ?   ?  0.000000 19.64716 
1 1 1    5   -1   36 o   72.001   15.054   69.264   26.195   94.909   36.237   41.196   37.911   83.729   17.875   58.523   20.730 25.20605 27.37254 
1 1 1    5   -1   37 o   89.401   13.839  105.464   29.898  129.002   41.067   78.917   43.613   97.678   17.478   75.195   21.896 22.48354 28.01599 
1 1 1    5   -1   38 o   78.593   24.285   88.828   52.478   88.828   52.478   0.0000   0.0000   78.593   24.285  ?   ?  0.000000 24.28510 
1 1 1    5   -1   39 o  112.057   12.626  164.833   34.715  268.077   48.264   54.164   49.969  142.634   13.719   64.713   23.685 77.92016 27.37155 
1 1 1    5   -1   40 o   80.507   16.550   89.739   32.161  123.256   45.973   57.615   45.008   92.631   20.424   64.744   22.616 27.88721 30.47300 
1 1 1    5   -1   41 o   38.063   16.262   3.5198   27.384   14.954   43.792  -3.8216   35.090   49.439   20.818   40.223   17.774 9.215584 27.37363 
1 1 1    5   -1   42 o   45.102   18.659   14.966   34.265   53.727   74.093   4.4214   38.645   66.204   27.417   43.860   19.033 22.34423 33.37573 
1 1 1    5    0    0 o  187.229   8.6099  438.295   40.255  435.083   56.917  441.510   56.943  186.002   12.324  187.386   12.236 -1.384186 17.36642 
1 1 1    5    0    1 o  206.606   8.9774  533.795   46.317  540.336   65.512  527.257   65.493  207.321   12.715  204.769   12.873 2.551224 18.09441 
1 1 1    5    0    2 o  355.261   12.342  1580.69  109.495  1601.74  154.899  1559.68  154.800  357.081   17.371  352.335   17.594 4.746521 24.72468 
1 1 1    5    0    3 o  420.654   14.010  2218.97  147.173  2278.59  208.212  2159.43  208.057  425.390   19.600  414.024   20.124 11.36627 28.09166 
1 1 1    5    0    4 o  346.057   12.035  1500.57  104.004  1479.56  147.066  1521.60  147.102  342.563   17.247  347.870   16.934 -5.307007 24.17046 
1 1 1    5    0    5 o  211.672   9.0231  560.688   47.695  553.991   67.464  567.381   67.437  209.762   12.943  212.314   12.779 -2.551315 18.18827 
1 1 1    5    0    6 o  221.767   9.2279  615.625   51.104  620.109   72.303  611.148   72.240  221.906   13.106  220.279   13.193 1.626511 18.59654 
1 1 1    5    0    7 o  381.281   12.986  1824.51  123.645  1860.41  174.925  1788.67  174.796  384.056   18.239  376.505   18.591 7.550812 26.04433 
1 1 1    5    0    8 o  400.877   13.464  2017.03  134.787  1962.50  190.572  2071.62  190.664  394.326   19.353  405.255   18.840 -10.92889 27.00939 
1 1 1    5    0    9 o  399.013   19.029  2006.09  189.604  2094.43  268.367  1918.05  267.914  405.107   26.678  387.206   27.895 17.90030 38.59797 
1 1 1    5    0   10 o  123.414   10.433  191.954   31.851  262.130   45.334  123.545   44.760  144.096   12.730   97.454   19.075 46.64130 22.93258 
1 1 1    5    0   11 o  822.652   25.053  8540.34  514.672  8875.97  728.186  8205.32  727.527  834.495   34.944  801.684   36.341 32.81165 50.41541 
1 1 1    5    0   12 o  639.639   19.800  5138.40  316.264  5080.09  447.052  5196.83  447.477  634.093   28.233  641.416   27.937 -7.322998 39.71867 
1 1 1    5    0   13 o  714.796   22.049  6422.22  393.568  6645.45  556.661  6199.10  556.518  724.836   30.754  699.745   31.848 25.09137 44.27335 
1 1 1    5    0   14 o  431.276   14.216  2328.60  153.106  2304.13  216.225  2353.21  216.826  428.420   20.211  432.976   20.054 -4.556519 28.47166 
1 1 1    5    0   15 o  749.698   23.034  7066.93  431.231  7139.92  609.696  6993.86  610.008  750.968   32.512  743.133   32.871 7.834900 46.23367 
1 1 1    5    0   16 o  125.582   11.425  198.888   35.438  186.897   49.390  211.611   50.876  120.969   16.804  128.958   16.153 -7.988289 23.30822 
1 1 1    5    0   17 o  171.301   8.7954  367.766   37.497  315.985   51.698  425.248   54.469  158.337   13.195  183.974   11.920 -25.63788 17.78208 
1 1 1    5    0   18 o  550.631   17.592  3804.62  241.889  3975.42  341.753  3633.16  342.414  561.570   24.370  536.598   25.554 24.97186 35.31127 
1 1 1    5    0   19 o  456.605   15.104  2614.30  172.221  2615.78  242.864  2612.80  244.257  455.769   21.339  455.484   21.474 0.2849426 30.27363 
1 1 1    5    0   20 o  282.195   10.608  996.795   74.752  886.244  104.294  1113.59  107.197  265.217   15.819  297.955   14.407 -32.73767 21.39667 
1 1 1    5    0   21 o  356.849   25.347  1624.70  224.404  1624.70  224.404   0.0000   0.0000  356.849   25.347  ?   ?  0.000000 25.34725 
1 1 1    5    0   22 o  462.768   17.542  2699.91  202.719  2762.86  248.431  2574.47  350.691  467.066   21.300  446.042   31.691 21.02478 38.18366 
1 1 1    5    0   23 o  117.915   9.3714  175.266   27.367  182.946   33.754  160.531   46.754  120.225   11.378  111.483   17.359 8.741470 20.75584 
1 1 1    5    0   24 o  237.847   11.204  710.217   66.543  629.917   81.506  870.731  115.236  223.087   14.713  261.709   17.737 -38.62184 23.04551 
1 1 1    5    0   25 o  103.091   9.7094  134.477   24.701   94.982   30.563  208.865   41.945   85.567   14.841  128.110   13.305 -42.54344 19.93235 
1 1 1    5    0   26 o  172.144   13.161  375.516   56.146  232.295   80.541  510.916   78.312  132.148   25.329  200.371   15.779 -68.22330 29.84118 
1 1 1    5    0   27 o  265.899   11.989  889.909   79.607  903.889   97.980  862.756  136.552  267.039   14.750  258.772   21.321 8.266998 25.92614 
1 1 1    5    0   28 o  258.365   12.002  840.528   77.433  804.954   95.274  909.750  132.904  251.754   15.226  266.062   20.153 -14.30775 25.25839 
1 1 1    5    0   29 o  137.425   10.482  238.735   35.701  187.690   44.465  331.335   59.889  120.880   15.057  161.117   15.060 -40.23713 21.29584 
1 1 1    5    0   30 o  162.181   10.258  331.908   41.332  363.888   51.842  276.117   68.472  169.460   12.335  145.821   19.276 23.63937 22.88525 
1 1 1    5    0   31 o  155.439   18.411  312.534   70.074  312.534   70.074   0.0000   0.0000  155.439   18.411  ?   ?  0.000000 18.41054 
1 1 1    5    0   32 o  284.000   12.646  1018.67   89.686  1019.19  110.830  1017.68  152.655  282.770   15.758  279.871   22.020 2.899445 27.07788 
1 1 1    5    0   33 o  117.353   11.200  175.200   32.423  184.417   42.219  161.948   50.624  119.727   14.410  110.884   18.964 8.843376 23.81781 
1 1 1    5    0   34 o  142.738   18.459  266.249   64.255   0.0000   0.0000  266.249   64.255  ?   ?   142.738   18.459 0.000000 18.45924 
1 1 1    5    0   35 o  113.574   11.667  165.112   32.619  260.566   43.514   42.675   49.282  142.762   12.327   62.958   23.436 79.80432 26.47991 
1 1 1    5    0   36 o  136.722   11.369  238.984   38.466  277.034   50.579  186.790   59.238  146.428   14.003  117.420   20.972 29.00893 25.21752 
1 1 1    5    0   37 o   51.691   16.495   34.448   24.021   22.438   34.543   45.693   33.426   49.684   19.345   59.401   19.500 -9.717281 27.46778 
1 1 1    5    0   38 o  144.534   11.041  268.490   39.548  387.909   52.950  117.827   59.474  173.307   12.315   90.070   25.364 83.23790 28.19542 
1 1 1    5    0   39 o   43.473   16.792   18.030   25.864   18.232   38.849   17.870   34.662   49.390   20.086   47.458   19.088 1.931622 27.70953 
1 1 1    5    0   40 o  141.483   12.517  261.764   43.767  339.683   59.168  167.610   65.041  159.798   15.003  105.945   24.989 53.85333 29.14706 
1 1 1    5    0   41 o   43.106   17.115   16.254   27.500   24.770   43.479   10.576   35.504   52.603   21.301   44.863   18.810 7.740082 28.41761 
1 1 1    5    0   42 o   56.673   19.141   44.050   32.162   85.009   50.367   15.852   41.791   74.779   23.888   48.782   20.428 25.99656 31.43197 
1 1 1    5    0   43 o   33.944   15.570 -15.2303   29.962 -11.4047   50.030 -17.3696   37.413   45.065   20.459   37.821   17.367 7.244244 26.83659 
1 1 1    5    1    0 o   50.153   8.0458   32.233   9.7360   32.780   13.845   31.697   13.694   50.189   11.317   49.346   11.349 0.8433914 16.02740 
1 1 1    5    1    1 o  514.315   16.409  3319.20  210.750  3330.11  298.071  3308.29  298.020  513.884   23.228  512.182   23.301 1.702148 32.90052 
1 1 1    5    1    2 o  461.987   15.079  2676.51  173.960  2618.30  245.938  2734.81  246.096  455.894   21.603  466.013   21.147 -10.11932 30.23069 
1 1 1    5    1    3 f  532.637   17.010  3563.32  226.250  3648.97  320.091  3477.81  319.841  537.469   23.849  524.567   24.416 12.90253 34.13113 
1 1 1    5    1    4 o  792.221   24.457  7943.38  483.840  8086.39  684.426  7800.52  684.081  794.032   34.517  779.493   35.143 14.53943 49.25965 
1 1 1    5    1    5 o  320.232   11.491  1284.72   91.889  1297.59  129.981  1271.87  129.919  320.887   16.274  317.653   16.435 3.233459 23.12889 
1 1 1    5    1    6 o  347.387   12.156  1513.12  105.448  1512.06  149.138  1514.19  149.113  346.530   17.234  346.777   17.219 -0.2463074 24.36241 
1 1 1    5    1    7 o  244.051   9.7351  745.807   59.329  752.966   83.947  738.662   83.862  244.482   13.807  242.122   13.929 2.360306 19.61207 
1 1 1    5    1    8 o  232.123   9.3666  674.530   54.294  694.437   76.842  654.683   76.724  234.861   13.155  227.961   13.539 6.899536 18.87711 
1 1 1    5    1    9 o  507.392   16.322  3237.96  206.810  3186.70  292.423  3289.25  292.525  501.457   23.352  509.578   22.988 -8.121124 32.76846 
1 1 1    5    1   10 o  277.701   14.951  970.596  103.296   0.0000   0.0000  970.596  103.296  ?   ?   277.701   14.951 0.000000 14.95060 
1 1 1    5    1   11 o  190.756   17.601  460.796   82.898  460.796   82.898   0.0000   0.0000  190.756   17.601  ?   ?  0.000000 17.60113 
1 1 1    5    1   12 f  822.731   25.027  8535.25  514.183  8822.78  727.406  8248.10  726.925  832.588   34.986  804.483   36.184 28.10431 50.33232 
1 1 1    5    1   13 o  687.037   21.244  5931.38  364.475  5940.83  515.305  5921.92  515.586  685.387   30.108  684.277   30.173 1.110291 42.62492 
1 1 1    5    1   14 o  370.042   12.724  1713.40  117.579  1780.19  166.090  1646.31  166.475  376.809   17.651  361.825   18.486 14.98416 25.55989 
1 1 1    5    1   15 o  322.892   11.540  1304.04   93.053  1361.48  131.298  1246.06  131.897  329.667   15.949  314.881   16.835 14.78650 23.19017 
1 1 1    5    1   16 o  429.228   13.578  2305.99  145.537  2136.36  205.160  2477.81  206.486  412.562   19.914  444.457   18.604 -31.89508 27.25201 
1 1 1    5    1   17 o  297.223   12.476  1105.41   92.599  1067.56  159.198  1124.76  113.838  290.597   22.104  299.265   15.284 -8.667328 26.87311 
1 1 1    5    1   18 o  600.499   26.658  4550.64  399.758  4202.64  564.792  4900.00  565.896  572.096   39.781  619.150   36.766 -47.05408 54.16881 
1 1 1    5    1   19 o  326.046   13.746  1331.60  111.916  1360.73  136.031  1270.59  196.882  328.935   16.614  316.338   25.130 12.59695 30.12588 
1 1 1    5    1   20 o  322.101   12.201  1299.28   98.141  1388.84  138.008  1207.65  139.591  332.594   16.616  309.456   18.143 23.13742 24.60236 
1 1 1    5    1   21 o  465.296   17.632  2723.23  204.872  2631.82  250.820  2906.47  355.120  456.486   22.003  476.509   29.997 -20.02304 37.20148 
1 1 1    5    1   22 o  422.673   16.302  2247.49  172.069  2251.53  210.786  2239.41  297.903  422.257   19.990  417.712   28.734 4.545471 35.00352 
1 1 1    5    1   23 o  228.987   19.362  667.558  109.676  667.558  109.676   0.0000   0.0000  228.987   19.362  ?   ?  0.000000 19.36160 
1 1 1    5    1   24 o  256.139   11.868  823.775   75.908  775.672   93.044  919.512  131.264  247.670   15.116  268.612   19.707 -20.94170 24.83652 
1 1 1    5    1   25 o  375.953   15.001  1782.90  140.831  1766.00  172.616  1816.54  243.549  373.172   18.523  374.775   26.188 -1.603088 32.07692 
1 1 1    5    1   26 f  117.528   9.8793  174.518   28.726  149.977   35.555  220.646   48.745  108.301   13.435  131.341   15.139 -23.03960 20.24119 
1 1 1    5    1   27 o  257.323   11.963  833.108   76.872  728.893   94.318  1039.31  132.671  239.499   15.860  285.260   18.729 -45.76088 24.54174 
1 1 1    5    1   28 o  344.021   17.915  1508.31  153.373  1238.01  217.493  1775.70  216.316  306.664   28.736  370.714   23.488 -64.04932 37.11394 
1 1 1    5    1   29 o  219.680   11.119  608.465   60.800  605.359   75.100  614.373  103.576  218.540   13.833  218.691   19.159 -0.1517792 23.63090 
1 1 1    5    1   30 o  142.085   9.9615  254.814   35.121  286.136   44.335  202.040   57.548  150.274   11.912  124.482   19.124 25.79258 22.53092 
1 1 1    5    1   31 o  164.466   9.6336  340.882   39.393  455.535   50.178  156.718   63.596  190.033   10.616  108.035   24.177 81.99807 26.40475 
1 1 1    5    1   32 o  126.837   18.750  209.747   57.597  209.747   57.597   0.0000   0.0000  126.837   18.750  ?   ?  0.000000 18.74968 
1 1 1    5    1   33 o  132.408   11.322  222.537   37.076  171.729   47.153  304.816   60.005  114.917   16.939  154.066   15.821 -39.14921 23.17884 
1 1 1    5    1   34 o   30.043   13.213  -4.9337   19.173   7.8747   28.208 -15.9322   26.139   41.446   17.015   32.306   14.714 9.140556 22.49434 
1 1 1    5    1   35 o   48.352   15.795   28.933   21.940   33.128   31.667   25.061   30.427   53.676   18.954   49.563   18.422 4.112274 26.43089 
1 1 1    5    1   36 o  162.423   11.221  335.831   45.234  347.441   58.240  318.180   71.812  164.240   14.344  155.383   18.896 8.857208 23.72390 
1 1 1    5    1   37 o   33.996   14.824  -3.4339   23.681   17.756   52.697  -8.7960   26.508   55.966   23.145   34.363   15.302 21.60384 27.74633 
1 1 1    5    1   38 o  174.313   11.318  389.371   49.002  447.945   63.285  301.681   77.433  185.921   13.728  148.405   21.522 37.51669 25.52776 
1 1 1    5    1   39 o   70.190   16.108   67.154   27.636  101.624   40.712   37.696   37.636   85.415   19.514   56.360   20.566 29.05502 28.35086 
1 1 1    5    1   40 o  109.181   13.426  157.182   35.835  181.688   49.628  130.487   51.797  115.337   17.804   95.209   22.195 20.12794 28.45386 
1 1 1    5    1   41 o   44.178   20.386 -28.2442   52.433 -28.2442   52.433   0.0000   0.0000   44.178   20.386  ?   ?  0.000000 20.38554 
1 1 1    5    1   42 o   43.225   17.309   15.729   28.363   0.8063   44.546   25.903   36.781   46.216   20.237   50.524   19.878 -4.308327 28.36664 
1 1 1    5    1   43 o   40.542   17.160   6.9717   30.004   45.316   49.030 -15.9831   37.936   59.915   23.126   38.642   17.648 21.27253 29.09079 
1 1 1    5    2    0 o  664.481   20.620  5556.07  342.159  5619.90  483.966  5492.27  483.806  665.728   29.112  658.010   29.443 7.718567 41.40539 
1 1 1    5    2    1 o  596.206   18.761  4467.05  279.319  4456.94  395.017  4477.15  395.017  593.588   26.649  594.950   26.588 -1.362061 37.64419 
1 1 1    5    2    2 o  746.585   23.069  7029.85  430.085  7039.91  608.241  7019.80  608.222  743.344   32.767  742.260   32.814 1.083740 46.37250 
1 1 1    5    2    3 o  358.637   12.418  1610.89  111.215  1633.56  157.313  1588.23  157.249  360.612   17.469  355.544   17.711 5.067719 24.87685 
1 1 1    5    2    4 o  345.002   11.763  1490.62  101.343  1514.25  143.358  1467.01  143.284  347.220   16.534  341.729   16.791 5.490387 23.56439 
1 1 1    5    2    5 o  337.376   11.904  1426.07  100.294  1437.43  141.855  1414.71  141.818  338.143   16.799  335.011   17.008 3.132355 23.90579 
1 1 1    5    2    6 o  388.994   13.185  1898.26  128.075  1864.68  181.091  1931.87  181.160  384.593   18.856  391.526   18.529 -6.932617 26.43597 
1 1 1    5    2    7 o  346.793   12.131  1508.16  105.053  1530.35  148.624  1486.01  148.512  348.595   17.073  343.024   17.394 5.570648 24.37336 
1 1 1    5    2    8 f  234.351   9.5042  687.612   55.620  684.897   78.701  690.321   78.618  233.167   13.575  234.102   13.505 -0.9352875 19.14896 
1 1 1    5    2    9 o  487.628   15.656  2989.82  190.639  3112.51  269.781  2867.45  269.430  495.912   21.785  475.722   22.680 20.19067 31.44773 
1 1 1    5    2   10 o   87.111   7.5296   95.590   16.218   97.926   22.973   93.268   22.899   87.789   10.701   85.606   10.964 2.183052 15.32020 
1 1 1    5    2   11 o  262.934   10.168  865.036   66.764  836.016   94.361  894.127   94.477  257.772   14.720  266.672   14.239 -8.899872 20.47977 
1 1 1    5    2   12 o  210.136   9.0353  552.103   47.413  550.804   66.935  553.410   67.168  209.349   12.866  209.844   12.880 -0.4946899 18.20525 
1 1 1    5    2   13 o  416.058   19.687  2173.72  204.545  2318.95  289.245  2028.44  289.296  427.790   27.218  399.530   29.199 28.25974 39.91681 
1 1 1    5    2   14 o  600.817   18.908  4529.05  283.682  4597.61  401.100  4460.44  401.273  603.922   26.596  594.754   27.018 9.167419 37.91215 
1 1 1    5    2   15 o  506.617   16.302  3215.76  206.241  3210.12  291.427  3221.41  291.911  505.294   23.096  506.182   23.094 -0.8883972 32.66090 
1 1 1    5    2   16 o  286.346   10.895  1025.35   77.903  1082.90  109.765  966.937  110.584  293.688   15.017  277.362   16.034 16.32568 21.96830 
1 1 1    5    2   17 o  666.806   20.751  5583.65  345.535  5831.94  488.646  5335.33  488.674  679.670   28.790  649.752   30.118 29.91833 41.66476 
1 1 1    5    2   18 o  386.952   13.458  1874.38  130.039  2086.72  183.641  1660.82  184.167  407.863   18.030  363.071   20.395 44.79202 27.22246 
1 1 1    5    2   19 o  484.764   22.248  2957.13  269.323  2788.12  380.604  3126.64  381.156  467.491   32.810  495.749   30.943 -28.25797 45.09984 
1 1 1    5    2   20 o  400.910   13.782  2013.83  137.977  2062.54  194.388  1964.38  195.878  405.067   19.217  394.718   19.937 10.34909 27.69082 
1 1 1    5    2   21 o  284.100   12.411  1011.15   88.052  946.587  107.738  1141.01  152.805  274.149   15.804  300.249   20.503 -26.10059 25.88692 
1 1 1    5    2   22 o  313.807   13.073  1234.97  102.443  1089.78  125.291  1527.80  177.934  293.830   17.150  347.312   20.608 -53.48245 26.81067 
1 1 1    5    2   23 o  417.197   16.163  2190.69  168.394  2153.48  206.259  2265.06  291.613  412.764   20.011  420.037   27.961 -7.272919 34.38398 
1 1 1    5    2   24 f  481.436   32.592  3018.35  389.530  3018.35  389.530   0.0000   0.0000  481.436   32.592  ?   ?  0.000000 32.59249 
1 1 1    5    2   25 o  504.660   18.747  3227.32  236.253  3295.09  289.564  3092.39  408.600  508.137   22.820  484.936   33.956 23.20114 40.91127 
1 1 1    5    2   26 o  159.817   9.9752  321.644   39.611  309.540   48.860  344.855   67.659  156.364   12.621  164.287   16.725 -7.923172 20.95270 
1 1 1    5    2   27 o  291.185   12.575  1067.25   91.438  1024.10  112.201  1152.58  157.777  284.134   15.877  299.687   21.220 -15.55280 26.50196 
1 1 1    5    2   28 o  105.123   10.194  140.039   26.423   84.665   32.920  240.322   44.301   80.256   16.957  137.498   13.059 -57.24188 21.40278 
1 1 1    5    2   29 o  302.728   16.262  1164.63  122.483  1133.32  174.600  1194.96  171.867  295.673   23.850  304.128   22.796 -8.454773 32.99224 
1 1 1    5    2   30 o  249.623   11.696  784.272   72.907  802.165   90.016  750.154  124.303  251.544   14.390  241.224   20.840 10.32082 25.32539 
1 1 1    5    2   31 o  321.112   13.152  1301.11  105.463  1359.50  129.960  1188.50  180.478  327.448   15.893  302.329   24.106 25.11880 28.87353 
1 1 1    5    2   32 o  186.897   10.538  440.639   48.984  468.208   61.365  392.219   81.324  192.203   12.859  174.255   18.997 17.94789 22.93981 
1 1 1    5    2   33 o   93.789   12.186  112.759   27.867  101.372   37.343  127.072   41.865   87.670   17.667   98.415   17.685 -10.74431 24.99785 
1 1 1    5    2   34 o   56.074   20.464   33.628   37.263   33.628   37.263   0.0000   0.0000   56.074   20.464  ?   ?  0.000000 20.46377 
1 1 1    5    2   35 o   60.325   15.497   48.140   23.468   37.703   32.515   59.489   33.907   56.162   19.244   67.094   19.240 -10.93158 27.21241 
1 1 1    5    2   36 o   88.371   13.308  101.414   28.456   78.274   38.227  130.173   42.616   76.200   19.880   99.063   17.885 -22.86272 26.74169 
1 1 1    5    2   37 o   52.729   16.269   35.996   23.561   28.772   34.496   42.312   32.256   52.511   19.595   57.894   19.163 -5.383209 27.40788 
1 1 1    5    2   38 o  155.697   13.175  312.866   50.744  498.508   82.393  199.426   64.408  194.781   17.113  120.304   22.259 74.47726 28.07691 
1 1 1    5    2   39 o  194.730   10.939  485.462   52.977  625.806   69.321  288.414   82.140  220.273   12.656  143.270   23.793 77.00307 26.94983 
1 1 1    5    2   40 o   35.149   15.055   0.8448   23.580 -17.2366   37.294   12.888   30.437   38.828   17.642   43.708   17.777 -4.879829 25.04541 
1 1 1    5    2   41 o   68.151   17.185   64.444   29.241  122.968   44.142   18.683   39.033   93.568   19.523   49.454   20.125 44.11378 28.03888 
1 1 1    5    2   42 o   79.237   27.367   94.370   65.816   94.370   65.816   0.0000   0.0000   79.237   27.367  ?   ?  0.000000 27.36707 
1 1 1    5    2   43 o   49.368   18.456   28.510   30.627   52.136   49.126   13.488   39.172   62.753   23.391   47.179   19.769 15.57347 30.62569 
1 1 1    5    2   44 o   37.499   16.573  -3.4017   30.517   36.032   51.355 -24.9275   37.943   57.283   23.166   36.671   17.066 20.61167 28.77353 
1 1 1    5    3    0 o  364.080   12.556  1660.08  114.157  1671.67  161.478  1648.50  161.406  364.802   17.726  362.250   17.843 2.551605 25.15091 
1 1 1    5    3    1 o  243.853   9.3215  743.700   56.763  761.329   80.301  726.094   80.250  246.182   13.109  240.365   13.423 5.816574 18.76279 
1 1 1    5    3    2 o  493.896   15.828  3060.43  195.221  3052.49  276.078  3068.36  276.089  492.057   22.468  493.347   22.410 -1.289795 31.73376 
1 1 1    5    3    3 o  216.765   13.024  590.774   70.170  541.210   99.164  640.481   99.306  206.518   19.458  225.080   17.814 -18.56181 26.38054 
1 1 1    5    3    4 f  673.045   29.615  5762.53  497.751  5270.25  703.154  6256.99  704.701  634.882   44.635  694.515   40.812 -59.63287 60.48054 
1 1 1    5    3    5 o  210.432   12.878  557.142   67.347  505.612   95.198  608.769   95.288  199.430   19.360  219.318   17.545 -19.88814 26.12723 
1 1 1    5    3    6 o  223.544   13.182  628.962   73.260  544.888  103.487  713.421  103.723  206.820   20.299  237.427   17.620 -30.60724 26.87961 
1 1 1    5    3    7 o  338.989   16.928  1446.75  143.296  1363.68  202.563  1529.96  202.741  326.616   25.026  346.501   23.571 -19.88541 34.37841 
1 1 1    5    3    8 o  501.922   16.223  3170.64  203.332  3211.57  287.616  3129.74  287.494  503.180   22.890  496.629   23.182 6.551514 32.57810 
1 1 1    5    3    9 o  381.620   18.196  1836.07  173.406   0.0000   0.0000  1836.07  173.406  ?   ?   381.620   18.196 0.000000 18.19631 
1 1 1    5    3   10 o  377.906   18.068  1798.50  170.510  1798.50  170.510   0.0000   0.0000  377.906   18.068  ?   ?  0.000000 18.06824 
1 1 1    5    3   11 f  320.676   11.407  1287.64   91.346  1322.22  129.238  1253.12  129.126  324.511   15.948  315.440   16.450 9.071167 22.91138 
1 1 1    5    3   12 o  741.077   22.821  6920.98  422.334  6882.27  597.205  6959.71  597.336  735.519   32.515  739.721   32.337 -4.201660 45.85721 
1 1 1    5    3   13 o  441.872   14.546  2445.79  160.505  2469.32  226.929  2422.24  227.049  443.287   20.500  439.011   20.711 4.275696 29.14072 
1 1 1    5    3   14 o  378.166   12.841  1789.68  121.267  1875.59  171.429  1703.64  171.564  386.735   17.751  368.022   18.730 18.71338 25.80526 
1 1 1    5    3   15 o  495.396   22.751  3085.02  281.446  3205.41  397.770  2964.32  398.279  502.378   31.872  482.676   33.246 19.70187 46.05537 
1 1 1    5    3   16 o  1058.45   32.014 14172.36  846.187 14295.26  1196.61 14049.43  1196.77  1056.13   45.372  1046.76   45.784 9.366333 64.45740 
1 1 1    5    3   17 o  668.141   20.297  5603.92  338.657  5844.48  478.925  5363.34  478.943  680.643   28.177  651.720   29.429 28.92249 40.74317 
1 1 1    5    3   18 o  725.779   22.132  6621.31  401.120  6991.61  567.351  6251.22  567.187  743.548   30.556  702.545   32.330 41.00305 44.48436 
1 1 1    5    3   19 o  262.028   10.354  858.643   67.749  836.881   94.841  881.319   96.811  258.053   14.779  264.846   14.696 -6.792938 20.84192 
1 1 1    5    3   20 o  350.464   12.398  1537.59  108.502  1492.78  152.574  1583.43  154.331  344.392   17.802  355.203   17.399 -10.81067 24.89243 
1 1 1    5    3   21 o  467.268   21.618  2751.66  252.250  2562.13  356.471  2941.75  357.000  447.315   32.126  480.231   29.918 -32.91599 43.89974 
1 1 1    5    3   22 o  318.656   13.299  1273.15  105.827  1230.00  129.547  1359.71  183.481  312.402   16.666  327.276   22.589 -14.87338 28.07162 
1 1 1    5    3   23 o  243.279   11.415  741.694   69.350  714.856   84.984  795.187  119.980  238.159   14.357  250.320   19.344 -12.16127 24.08960 
1 1 1    5    3   24 o  421.168   16.218  2234.36  170.573  2171.00  208.902  2361.12  295.462  414.155   20.199  428.518   27.760 -14.36334 34.33115 
1 1 1    5    3   25 o  225.709   10.988  639.117   61.935  486.698   75.742  946.685  107.594  195.891   15.613  273.566   15.817 -77.67578 22.22515 
1 1 1    5    3   26 o  414.548   28.928  2235.65  297.585  2235.65  297.585   0.0000   0.0000  414.548   28.928  ?   ?  0.000000 28.92787 
1 1 1    5    3   27 o  518.019   19.251  3411.50  249.035  3486.44  305.290  3262.46  430.535  521.431   23.446  495.445   35.024 25.98578 42.14750 
1 1 1    5    3   28 o  414.268   16.097  2171.82  166.526  2178.25  204.247  2159.08  287.603  413.474   19.781  406.421   28.518 7.053833 34.70738 
1 1 1    5    3   29 o  427.629   16.653  2317.98  177.836  2233.92  218.032  2485.04  307.379  418.013   20.887  435.788   28.401 -17.77469 35.25434 
1 1 1    5    3   30 o  225.823   11.427  643.073   64.230  589.066   79.200  746.844  109.783  215.372   14.816  241.612   18.332 -26.24069 23.57090 
1 1 1    5    3   31 o  272.948   15.725  946.782  106.731  815.767  152.494  1072.59  149.434  250.036   24.748  288.710   20.868 -38.67332 32.37156 
1 1 1    5    3   32 o  192.789   10.589  468.673   50.782  505.233   63.494  403.771   84.596  199.749   12.796  176.767   19.489 22.98242 23.31412 
1 1 1    5    3   33 o   86.920   18.689  100.023   39.359   0.0000   0.0000  100.023   39.359  ?   ?    86.920   18.689 0.000000 18.68874 
1 1 1    5    3   34 o  188.767   10.613  449.874   49.827  529.887   63.068  316.974   81.281  204.522   12.407  155.462   21.513 49.05945 24.83485 
1 1 1    5    3   35 o  135.908   20.008  242.609   65.874  242.609   65.874   0.0000   0.0000  135.908   20.008  ?   ?  0.000000 20.00837 
1 1 1    5    3   36 o  117.661   11.627  176.718   33.716  181.066   44.605  170.923   51.499  118.141   15.493  113.752   18.785 4.389290 24.34982 
1 1 1    5    3   37 o  166.961   11.339  354.764   46.998  352.212   60.214  358.743   75.179  165.291   14.743  165.361   18.524 -0.6973267E-01 23.67477 
1 1 1    5    3   38 o   53.956   16.569   37.955   24.472   21.541   35.998   52.059   33.368   50.188   19.691   62.746   19.361 -12.55804 27.61465 
1 1 1    5    3   39 f   68.033   16.357   62.669   27.447   55.599   39.975   68.975   37.752   64.919   21.325   70.884   20.294 -5.965462 29.43843 
1 1 1    5    3   40 o  120.901   14.510  192.491   42.933  282.883   73.079  144.850   53.053  143.210   21.064  101.521   21.591 41.68839 30.16404 
1 1 1    5    3   41 o  172.784   11.715  385.970   50.250  461.683   66.619  286.035   76.537  187.490   14.338  142.428   22.247 45.06148 26.46643 
1 1 1    5    3   42 o   94.361   15.021  119.893   34.209  176.607   50.471   71.695   46.527  113.013   18.526   70.956   22.991 42.05775 29.52588 
1 1 1    5    3   43 o   61.390   18.934   52.758   31.917   38.775   49.327   62.830   41.862   58.795   23.055   66.488   21.822 -7.692326 31.74476 
1 1 1    5    3   44 o   95.090   31.514  157.570   87.225  157.570   87.225   0.0000   0.0000   95.090   31.514  ?   ?  0.000000 31.51364 
1 1 1    5    4    0 o  171.400   8.0663  367.311   34.525  375.132   48.842  359.501   48.810  172.727   11.388  169.048   11.633 3.679138 16.27904 
1 1 1    5    4    1 o  246.449   9.6418  759.793   59.339  766.209   83.946  753.386   83.888  246.878   13.670  244.783   13.780 2.094803 19.40993 
1 1 1    5    4    2 o  398.752   13.453  1992.61  133.964  2007.34  189.476  1977.89  189.430  399.495   18.993  396.533   19.130 2.962463 26.95734 
1 1 1    5    4    3 o  202.656   12.414  516.365   62.521  407.623   88.229  626.043   88.609  178.829   20.106  222.751   16.037 -43.92232 25.71818 
1 1 1    5    4    4 o  254.963   13.609  817.317   86.337  627.717  121.727  1009.25  122.474  221.917   22.266  282.823   17.426 -60.90698 28.27432 
1 1 1    5    4    5 o  709.450   31.582  6436.15  559.520  6350.56  791.165  6521.79  791.396  694.412   45.883  704.250   45.240 -9.837708 64.43528 
1 1 1    5    4    6 o  365.659   17.894  1683.59  163.389  1640.99  231.022  1726.23  231.113  358.450   25.986  367.893   25.311 -9.443542 36.27512 
1 1 1    5    4    7 o  385.755   18.501  1876.40  178.221  2015.40  252.325  1738.02  251.760  397.245   25.572  368.094   27.590 29.15088 37.61813 
1 1 1    5    4    8 f  658.344   43.407  5740.52  709.612   0.0000   0.0000  5740.52  709.612  ?   ?   658.344   43.407 0.000000 43.40715 
1 1 1    5    4    9 o  627.904   41.376  5192.19  645.133  5192.19  645.133   0.0000   0.0000  627.904   41.376  ?   ?  0.000000 41.37575 
1 1 1    5    4   10 o  128.943   7.7444  208.680   24.821  213.499   35.183  203.905   35.022  130.097   10.931  127.094   11.147 3.002945 15.61251 
1 1 1    5    4   11 o  558.044   17.715  3916.38  246.861  3952.56  349.169  3880.21  349.060  558.623   25.030  553.415   25.258 5.207703 35.55954 
1 1 1    5    4   12 o  248.725   9.6734  773.797   60.083  813.907   85.029  733.799   84.911  254.532   13.425  241.561   14.138 12.97089 19.49639 
1 1 1    5    4   13 f   97.482   7.4764  119.453   18.061  132.608   25.414  106.029   25.673  102.484   10.060   91.338   11.511 11.14560 15.28777 
1 1 1    5    4   14 o  478.754   15.520  2871.58  185.548  2897.39  262.318  2845.73  262.492  480.098   21.880  475.768   22.094 4.330566 31.09453 
1 1 1    5    4   15 o  253.450   10.056  803.126   63.646  862.875   89.797  742.810   90.222  262.198   13.763  243.098   14.934 19.10025 20.30871 
1 1 1    5    4   16 f  274.389   14.117  944.929   96.403  1478.87  136.535  414.118  136.134  343.599   15.913  178.402   31.720 165.1972 35.48727 
1 1 1    5    4   17 o  1214.34   53.114 19080.73  1610.65 19380.56  2277.84 18780.91  2277.76  1199.68   76.432  1179.41   77.775 20.27478 109.0445 
1 1 1    5    4   18 o  324.326   11.827  1315.82   95.790  1397.40  135.004  1233.11  135.935  333.956   16.188  313.143   17.453 20.81363 23.80485 
1 1 1    5    4   19 o  329.733   11.516  1360.10   94.825  1286.39  133.308  1435.60  134.911  319.902   16.746  338.466   15.962 -18.56393 23.13429 
1 1 1    5    4   20 o  311.993   11.235  1217.83   87.534  1195.60  122.861  1240.76  124.743  308.402   16.008  314.194   15.951 -5.792297 22.59877 
1 1 1    5    4   21 o  534.296   19.589  3589.91  261.369  3398.51  319.841  3974.65  453.469  518.774   24.689  557.770   32.700 -38.99548 40.97345 
1 1 1    5    4   22 o  187.402   12.320  441.845   57.333  267.133   80.816  618.862   81.348  143.635   23.332  221.612   14.784 -77.97728 27.62179 
1 1 1    5    4   23 o  195.451   10.392  479.667   50.540  398.696   61.824  642.789   87.750  177.690   14.047  225.637   15.671 -47.94739 21.04523 
1 1 1    5    4   24 o  191.618   9.8563  461.044   47.004  520.679   57.819  344.832   80.714  203.479   11.425  163.972   20.135 39.50618 23.15051 
1 1 1    5    4   25 o  409.529   15.939  2113.60  163.001  2122.48  199.752  2095.92  281.994  409.437   19.537  402.966   28.201 6.471466 34.30734 
1 1 1    5    4   26 o  487.768   18.414  3013.23  224.297  2973.15  274.792  3093.23  388.252  482.699   22.797  486.288   32.153 -3.588928 39.41505 
1 1 1    5    4   27 o  416.770   29.112  2264.65  301.082  2264.65  301.082   0.0000   0.0000  416.770   29.112  ?   ?  0.000000 29.11215 
1 1 1    5    4   28 o  459.194   17.547  2673.59  201.210  2519.82  246.458  2980.93  348.432  443.180   22.341  477.575   29.359 -34.39481 36.89261 
1 1 1    5    4   29 o  273.988   12.460  945.033   85.253  834.806  104.621  1162.88  147.078  256.238   16.437  301.509   19.642 -45.27127 25.61176 
1 1 1    5    4   30 o  292.790   12.923  1080.25   94.486  1002.97  116.053  1232.19  162.727  280.814   16.624  309.659   21.171 -28.84454 26.91746 
1 1 1    5    4   31 o  341.697   14.338  1474.96  122.345  1284.83  150.073  1851.73  211.259  316.975   19.048  379.088   22.416 -62.11243 29.41607 
1 1 1    5    4   32 o  179.086   13.750  407.255   61.024  298.429   89.159  503.164   83.700  150.159   24.632  198.335   17.066 -48.17583 29.96620 
1 1 1    5    4   33 o  143.154   13.287  260.862   46.958  260.862   46.958   0.0000   0.0000  143.154   13.287  ?   ?  0.000000 13.28732 
1 1 1    5    4   34 o  411.650   15.807  2151.49  162.492  2229.96  200.027  1999.22  278.636  417.453   19.188  388.430   28.933 29.02356 34.71774 
1 1 1    5    4   35 o  223.745   11.777  633.257   65.570  601.528   81.843  690.123  109.568  217.118   15.191  231.217   19.149 -14.09932 24.44250 
1 1 1    5    4   36 o  170.610   11.197  368.914   47.440  356.422   60.463  388.922   76.519  166.800   14.665  173.238   17.948 -6.438141 23.17749 
1 1 1    5    4   37 o   43.625   19.093  -6.4799   39.609  -6.4799   39.609   0.0000   0.0000   43.625   19.093  ?   ?  0.000000 19.09334 
1 1 1    5    4   38 o   40.205   15.521   14.080   22.090  -9.6213   34.818   30.046   28.578   39.786   17.637   50.925   18.003 -11.13887 25.20232 
1 1 1    5    4   39 o   77.266   15.087   79.538   28.065   83.352   40.485   76.010   38.941   77.828   20.534   74.444   20.360 3.383469 28.91651 
1 1 1    5    4   40 o  118.816   13.061  183.707   38.112  107.981   50.603  282.977   57.937   87.303   22.919  146.359   16.119 -59.05636 28.02021 
1 1 1    5    4   41 o   99.620   16.285  133.615   39.112  184.689   68.986  109.421   47.481  112.590   25.169   87.722   21.776 24.86738 33.28161 
1 1 1    5    4   42 o  138.814   12.454  251.167   42.712  298.555   58.686  197.795   62.281  149.503   15.966  117.986   21.946 31.51667 27.13959 
1 1 1    5    4   43 o   55.308   18.515   40.588   30.090   76.022   48.250   18.036   38.492   72.529   23.403   48.807   19.938 23.72195 30.74425 
1 1 1    5    4   44 o  119.455   14.711  192.151   42.956  193.335   60.960  190.983   60.540  114.969   22.035  114.264   22.015 0.7050629 31.14840 
1 1 1    5    4   45 o   95.939   32.721  167.833   93.999  167.833   93.999   0.0000   0.0000   95.939   32.721  ?   ?  0.000000 32.72122 
1 1 1    5    5    0 o  730.277   26.041  6765.85  474.892  6968.71  581.832  6361.00  821.940  738.415   31.553  693.893   47.725 44.52155 57.21269 
1 1 1    5    5    1 f  370.453   14.701  1721.98  135.994  1687.36  166.481  1791.40  235.768  366.231   18.204  375.225   25.310 -8.994171 31.17627 
1 1 1    5    5    2 o  884.628   27.193  9934.27  600.721  9770.64  849.358 10098.05  849.739  869.714   39.108  884.648   38.465 -14.93365 54.85406 
1 1 1    5    5    3 o  611.800   27.414  4754.05  418.820  4561.54  592.041  4946.90  592.562  592.294   40.267  617.890   38.597 -25.59521 55.77777 
1 1 1    5    5    4 f  843.874   37.232  9185.50  784.596  8699.34  1108.86  9672.93  1110.31  804.122   55.562  851.348   52.482 -47.22668 76.42950 
1 1 1    5    5    5 o  550.707   17.204  3815.15  236.599  3994.44  334.872  3636.45  334.332  561.562   23.880  535.440   25.004 26.12280 34.57550 
1 1 1    5    5    6 f  175.637   8.3808  385.910   36.758  389.725   52.017  382.104   51.950  175.932   11.910  174.183   12.017 1.749420 16.91920 
1 1 1    5    5    7 o  179.702   8.4472  404.047   37.906  407.114   53.603  400.978   53.613  179.795   12.008  178.416   12.105 1.378815 17.05038 
1 1 1    5    5    8 o  642.386   20.138  5215.90  323.045  5288.31  456.953  5143.56  456.756  642.939   28.461  633.866   28.856 9.072510 40.53027 
1 1 1    5    5    9 o  231.518   9.4462  671.034   54.613  660.571   77.230  681.499   77.238  228.988   13.566  232.632   13.352 -3.643250 19.03448 
1 1 1    5    5   10 o  348.606   14.056  1525.60  122.361  1411.56  211.833  1582.71  149.898  332.283   25.730  354.640   16.926 -22.35760 30.79788 
1 1 1    5    5   11 o  401.388   19.168  2029.04  192.131  2088.25  271.879  1969.98  271.551  404.625   27.063  392.699   27.872 11.92578 38.84954 
1 1 1    5    5   12 f  357.001   17.520  1600.82  156.188  1668.86  221.023  1532.95  220.745  362.673   24.549  347.270   25.636 15.40372 35.49478 
1 1 1    5    5   13 o  791.745   24.346  7902.00  481.363  7910.27  680.756  7893.74  680.744  788.359   34.579  787.520   34.616 0.8397217 48.92819 
1 1 1    5    5   14 f  385.169   13.054  1856.89  125.556  1809.61  177.420  1904.32  177.706  379.744   18.709  389.600   18.265 -9.856262 26.14711 
1 1 1    5    5   15 o  360.185   12.451  1623.18  111.991  1650.52  158.232  1595.75  158.528  362.844   17.463  356.746   17.795 6.098114 24.93229 
1 1 1    5    5   16 o  1088.93   33.041 15012.58  898.473 15198.61  1270.70 14826.59  1270.56  1088.15   46.764  1074.37   47.358 13.77429 66.55508 
1 1 1    5    5   17 o  540.684   17.133  3663.79  231.328  3621.03  326.855  3706.71  327.441  536.493   24.397  542.843   24.155 -6.350037 34.33209 
1 1 1    5    5   18 o  453.517   20.702  2582.51  234.451  2426.94  330.439  2740.22  332.700  437.204   30.456  465.086   28.788 -27.88245 41.90858 
1 1 1    5    5   19 o  433.176   14.443  2349.68  156.230  2382.06  220.523  2317.06  221.366  435.538   20.276  429.510   20.639 6.028168 28.93217 
1 1 1    5    5   20 o  461.919   17.233  2676.24  198.779  2529.51  243.167  2971.78  345.109  448.481   21.713  484.002   28.681 -35.52078 35.97297 
1 1 1    5    5   21 o  640.684   23.136  5173.47  370.154  5033.64  453.129  5453.91  641.737  630.356   28.786  650.847   39.674 -20.49048 49.01714 
1 1 1    5    5   22 f  547.608   19.950  3775.15  272.816  3528.87  333.804  4270.59  473.454  528.128   25.311  577.479   32.968 -49.35089 41.56358 
1 1 1    5    5   23 o  129.253   9.1964  210.079   29.490  183.110   35.913  265.907   51.670  120.281   12.122  144.850   14.479 -24.56955 18.88308 
1 1 1    5    5   24 o  391.204   18.937  1930.80  184.995  1828.51  261.709  2032.95  261.536  377.445   27.965  398.657   26.421 -21.21219 38.47221 
1 1 1    5    5   25 o  242.523   11.432  737.696   69.237  686.019   84.856  840.628  119.758  233.088   14.653  257.254   18.772 -24.16599 23.81350 
1 1 1    5    5   26 o  298.185   12.833  1117.49   95.561  1028.69  117.060  1294.87  165.452  285.020   16.518  318.611   20.911 -33.59180 26.64789 
1 1 1    5    5   27 o  254.337   11.732  812.679   74.514  685.655   91.286  1066.31  128.992  232.514   15.816  289.619   17.924 -57.10535 23.90389 
1 1 1    5    5   28 o  110.039   9.7697  153.070   26.567  139.710   33.103  177.249   44.531  104.576   12.953  117.468   15.564 -12.89281 20.24902 
1 1 1    5    5   29 o  318.404   23.887  1309.64  188.546  1309.64  188.546   0.0000   0.0000  318.404   23.887  ?   ?  0.000000 23.88725 
1 1 1    5    5   30 o  268.596   12.378  908.214   83.027  789.044  101.932  1143.15  143.121  249.048   16.483  299.022   19.269 -49.97392 25.35743 
1 1 1    5    5   31 o  494.467   18.742  3112.50  231.423  3027.57  283.745  3281.25  399.963  485.066   23.425  497.453   32.373 -12.38724 39.95952 
1 1 1    5    5   32 o  342.480   25.183  1525.36  213.860   0.0000   0.0000  1525.36  213.860  ?   ?   342.480   25.183 0.000000 25.18262 
1 1 1    5    5   33 o  206.145   11.288  536.260   57.890  484.864   71.732  632.254   98.033  195.223   14.825  222.225   17.815 -27.00229 23.17675 
1 1 1    5    5   34 o  416.561   20.447  2225.02  212.698  2153.57  302.325  2295.04  299.299  402.625   30.291  416.782   28.936 -14.15710 41.89131 
1 1 1    5    5   35 o  217.267   12.022  597.159   64.974  489.917   80.788  793.562  109.330  195.499   16.709  248.781   17.714 -53.28189 24.35094 
1 1 1    5    5   36 o   92.055   13.073  109.299   29.208   69.215   39.313  158.680   43.635   72.298   20.713  110.452   16.311 -38.15338 26.36415 
1 1 1    5    5   37 o  109.582   11.958  153.697   32.192  153.073   43.333  154.465   48.091  108.172   16.570  108.110   18.477 0.6179047E-01 24.81846 
1 1 1    5    5   38 o  124.982   22.811  211.988   68.571  211.988   68.571   0.0000   0.0000  124.982   22.811  ?   ?  0.000000 22.81115 
1 1 1    5    5   39 o  132.232   11.746  224.145   38.382  229.589   51.000  217.033   58.289  132.518   15.718  127.562   18.868 4.956192 24.55699 
1 1 1    5    5   40 o   74.382   15.935   74.505   28.707   51.997   41.270   95.603   39.957   63.614   21.681   83.351   19.537 -19.73729 29.18544 
1 1 1    5    5   41 o  234.868   12.410  711.319   72.527  744.763   92.158  656.904  117.553  238.196   15.579  218.618   21.824 19.57776 26.81439 
1 1 1    5    5   42 o   56.501   17.842   42.704   28.160   20.957   43.406   58.509   37.004   52.187   21.228   65.208   20.433 -13.02118 29.46422 
1 1 1    5    5   43 o   46.578   18.005   21.487   29.757 -10.5118   60.903   31.521   34.105   51.308   22.996   52.351   19.494 -1.043365 30.14694 
1 1 1    5    5   44 o   61.421   18.931   52.678   31.912   71.826   50.111   39.615   41.390   70.647   23.892   57.177   21.439 13.47086 32.10087 
1 1 1    5    5   45 o  128.147   14.806  221.865   46.507  222.697   66.368  221.063   65.189  122.727   22.484  122.574   22.111 0.1526566 31.53455 
1 1 1    5    6    0 o  838.484   37.367  9111.92  782.413  9171.38  1106.54  9052.48  1106.46  823.505   54.110  817.681   54.500 5.824036 76.79901 
1 1 1    5    6    1 o  575.170   26.032  4203.67  373.904  4134.42  528.621  4273.00  528.938  563.915   37.757  573.704   37.119 -9.789185 52.94742 
1 1 1    5    6    2 o  367.304   14.557  1693.62  133.524  1659.79  163.461  1761.46  231.474  363.096   18.028  371.821   25.076 -8.725555 30.88391 
1 1 1    5    6    3 o  382.747   15.002  1839.65  143.389  1790.54  175.520  1938.20  248.625  377.016   18.643  389.916   25.678 -12.90009 31.73197 
1 1 1    5    6    4 o  1169.88   52.941 18338.61  1546.61 17778.20  2186.45 18899.83  2188.04  1103.34   79.897  1143.39   77.082 -40.04968 111.0190 
1 1 1    5    6    5 o  203.342   9.3581  517.499   47.519  556.246   82.275  498.104   58.209  209.770   15.823  199.013   11.765 10.75612 19.71736 
1 1 1    5    6    6 o  159.513   7.9569  318.276   31.695  320.816   44.834  315.739   44.813  159.602   11.323  158.317   11.412 1.284790 16.07564 
1 1 1    5    6    7 f  106.894   10.688  144.571   28.147   0.0000   0.0000  144.571   28.147  ?   ?   106.894   10.688 0.000000 10.68788 
1 1 1    5    6    8 o  336.102   16.803  1422.63  141.029  1422.63  141.029   0.0000   0.0000  336.102   16.803  ?   ?  0.000000 16.80303 
1 1 1    5    6    9 o  389.826   13.047  1906.98  127.012  1883.50  179.601  1930.47  179.642  386.417   18.612  391.254   18.386 -4.836639 26.16265 
1 1 1    5    6   10 o  607.218   18.963  4648.87  287.541  4599.00  406.599  4698.76  406.689  600.921   27.096  607.530   26.807 -6.609070 38.11523 
1 1 1    5    6   11 o  432.435   14.322  2346.13  154.661  2352.89  218.766  2339.38  218.682  432.017   20.278  430.765   20.329 1.252289 28.71382 
1 1 1    5    6   12 o  127.766   7.3715  204.717   23.419  219.797   33.255  189.880   32.986  132.158   10.154  122.698   10.878 9.459633 14.88117 
1 1 1    5    6   13 o  461.712   21.333  2681.55  245.961  2821.54  348.101  2541.98  347.582  471.076   29.744  446.579   31.367 24.49606 43.22718 
1 1 1    5    6   14 o  335.624   16.691  1412.15  139.889  1300.83  197.658  1523.87  198.009  320.394   24.900  347.282   22.962 -26.88794 33.87150 
1 1 1    5    6   15 o  244.032   9.5835  744.474   58.401  742.838   82.434  746.123   82.752  243.232   13.626  243.769   13.649 -0.5367737 19.28660 
1 1 1    5    6   16 o  421.074   14.031  2219.40  147.536  2238.71  208.494  2200.03  208.803  422.378   19.767  418.692   19.971 3.686157 28.09910 
1 1 1    5    6   17 o  265.019   10.354  878.143   68.521  895.104   96.572  860.947   97.238  266.996   14.539  261.796   14.936 5.200195 20.84366 
1 1 1    5    6   18 o  553.808   17.549  3844.77  242.693  3844.02  342.944  3845.53  343.495  552.650   24.850  552.753   24.885 -0.1025391 35.16786 
1 1 1    5    6   19 o  633.652   19.836  5040.23  313.872  5212.95  443.760  4867.31  444.003  642.801   27.645  620.891   28.636 21.90973 39.80339 
1 1 1    5    6   20 o  279.539   21.320  987.869  147.702  987.869  147.702   0.0000   0.0000  279.539   21.320  ?   ?  0.000000 21.31964 
1 1 1    5    6   21 o  639.379   23.094  5150.20  368.733  5034.26  451.408  5382.69  639.221  630.625   28.665  646.896   39.763 -16.27173 49.01767 
1 1 1    5    6   22 o  552.163   20.186  3837.39  278.333  3913.28  340.935  3685.75  481.951  556.537   24.532  535.273   36.270 21.26440 43.78716 
1 1 1    5    6   23 o  183.101   9.8771  420.766   44.994  350.555   54.863  565.012   78.637  166.693   13.290  211.652   14.975 -44.95862 20.02206 
1 1 1    5    6   24 o  518.787   19.181  3394.52  248.492  3207.68  304.105  3769.92  431.063  502.811   24.220  541.014   32.050 -38.20331 40.17168 
1 1 1    5    6   25 o  268.109   14.830  906.654   98.904  864.346  140.172  948.601  139.572  260.237   21.770  273.001   20.625 -12.76404 29.98863 
1 1 1    5    6   26 o  489.489   18.326  3029.84  224.012  3150.46  274.645  2790.12  387.190  497.714   22.097  461.705   33.817 36.00922 40.39697 
1 1 1    5    6   27 o  392.952   15.511  1947.98  152.209  1847.46  186.446  2148.84  263.555  381.012   19.663  408.190   25.991 -27.17761 32.59083 
1 1 1    5    6   28 o   89.567   10.045  101.887   22.080   78.975   27.597  142.642   36.806   77.885   14.729  105.432   14.353 -27.54733 20.56544 
1 1 1    5    6   29 o  139.326   9.7275  244.690   33.632  231.812   41.722  268.582   56.829  135.165   12.503  144.899   15.971 -9.734192 20.28261 
1 1 1    5    6   30 o   84.064   18.663   93.261   38.157   93.261   38.157   0.0000   0.0000   84.064   18.663  ?   ?  0.000000 18.66315 
1 1 1    5    6   31 o  563.530   20.987  4060.22  295.336  3858.78  361.800  4462.51  511.290  545.544   26.558  577.321   35.639 -31.77649 44.44609 
1 1 1    5    6   32 o  184.743   10.945  430.490   50.270  352.564   62.269  576.323   85.184  166.304   15.161  212.700   16.158 -46.39609 22.15709 
1 1 1    5    6   33 o  182.085   10.738  418.195   48.610  414.196   60.796  425.283   80.939  180.665   13.575  181.981   18.049 -1.315430 22.58399 
1 1 1    5    6   34 o  195.312   11.507  481.844   55.876  371.120   69.363  686.516   94.305  170.205   16.528  232.008   16.383 -61.80304 23.27138 
1 1 1    5    6   35 o  243.342   13.704  750.937   82.937  918.903  121.250  603.245  113.697  267.736   18.244  215.561   21.405 52.17564 28.12478 
1 1 1    5    6   36 o  338.466   14.481  1452.89  122.394  1407.96  151.043  1538.79  208.869  331.182   18.335  342.617   24.576 -11.43506 30.66171 
1 1 1    5    6   37 o  112.233   12.135  161.084   33.469  116.437   44.100  221.727   51.396   93.396   19.537  130.876   16.063 -37.47964 25.29253 
1 1 1    5    6   38 o  106.326   12.166  145.133   31.722  147.683   43.005  142.089   46.981  106.005   16.806  103.291   18.911 2.713531 25.29993 
1 1 1    5    6   39 o  206.027   12.262  541.928   62.803  464.066   79.112  674.617  103.275  188.681   16.972  226.966   18.379 -38.28552 25.01691 
1 1 1    5    6   40 o  118.480   24.795  197.390   71.004  197.390   71.004   0.0000   0.0000  118.480   24.795  ?   ?  0.000000 24.79453 
1 1 1    5    6   41 o  229.032   12.556  675.570   71.540  665.031   90.766  692.856  116.242  224.932   16.269  226.085   20.823 -1.153275 26.42517 
1 1 1    5    6   42 o   75.115   16.797   77.188   30.716   53.876   46.653   95.027   40.810   64.734   22.989   82.351   20.036 -17.61723 30.49506 
1 1 1    5    6   43 o   52.595   17.918   35.356   28.185   9.6581   44.420   52.675   36.466   49.176   20.851   62.325   20.363 -13.14927 29.14450 
1 1 1    5    6   44 o   91.752   17.832  116.883   39.386  173.461   71.094   91.830   47.309  106.413   26.776   79.215   22.730 27.19897 35.12256 
1 1 1    5    6   45 o   59.654   19.302   49.426   32.805   45.187   52.784   52.093   41.874   61.433   23.916   61.853   21.800 -0.4195442 32.36039 
1 1 1    5    6   46 o  141.574   14.144  269.756   49.334  368.977   71.927  181.615   67.793  162.268   18.057  107.282   25.652 54.98513 31.36972 
1 1 1    5    7    0 o  134.162   11.251  227.182   37.345  238.089   52.799  216.263   52.828  136.684   15.757  130.021   16.653 6.663269 22.92657 
1 1 1    5    7    1 o  342.500   17.115  1477.49  146.380  1464.63  206.930  1490.37  207.095  338.590   24.643  341.632   24.436 -3.041656 34.70443 
1 1 1    5    7    2 o  303.687   15.857  1163.06  119.834  1172.32  169.433  1153.79  169.509  303.382   22.525  300.910   22.726 2.471741 31.99771 
1 1 1    5    7    3 o  293.313   15.429  1084.51  112.612  1024.57  159.080  1144.71  159.436  283.497   22.660  300.073   21.418 -16.57532 31.17994 
1 1 1    5    7    4 o  466.192   17.364  2737.42  202.141  2831.20  247.645  2550.22  349.911  473.170   20.959  444.441   31.736 28.72925 38.03239 
1 1 1    5    7    5 o  661.651   43.576  5793.69  715.967  5793.69  715.967   0.0000   0.0000  661.651   43.576  ?   ?  0.000000 43.57641 
1 1 1    5    7    6 o  188.695   7.7356  445.376   36.451  470.865   51.613  420.013   51.485  193.565   10.720  182.706   11.340 10.85881 15.60505 
1 1 1    5    7    7 o  322.666   11.108  1304.89   89.501  1224.24  126.438  1385.89  126.709  311.439   16.314  331.969   15.285 -20.53003 22.35575 
1 1 1    5    7    8 o  179.412   8.2021  402.731   36.748  381.036   51.941  424.473   51.997  173.898   12.035  183.667   11.393 -9.769836 16.57239 
1 1 1    5    7    9 o  242.995   9.6195  739.232   58.371  724.394   82.522  754.090   82.576  239.807   13.839  244.731   13.565 -4.923447 19.37858 
1 1 1    5    7   10 o  245.595   9.6880  754.979   59.416  741.171   84.010  768.798   84.045  242.626   13.924  247.157   13.670 -4.531754 19.51294 
1 1 1    5    7   11 o   91.632   7.3740  105.644   16.730  113.911   23.719   97.457   23.603   94.864   10.171   87.539   11.043 7.324821 15.01315 
1 1 1    5    7   12 o  687.865   21.346  5959.60  366.674  5961.82  518.584  5957.38  518.526  684.974   30.318  684.716   30.326 0.2582397 42.88122 
1 1 1    5    7   13 o  441.261   14.225  2439.16  156.745  2477.36  221.740  2401.00  221.600  443.993   19.999  437.053   20.304 6.939484 28.49978 
1 1 1    5    7   14 o  999.372   30.404 12637.92  758.771 12958.31  1073.41 12317.96  1072.71  1005.46   42.751  979.647   43.849 25.81738 61.24089 
1 1 1    5    7   15 o  357.136   17.530  1599.11  156.343  1625.92  221.195  1572.35  221.009  358.534   24.859  352.472   25.277 6.062378 35.45293 
1 1 1    5    7   16 o  390.557   18.743  1913.15  182.804  1914.81  258.518  1911.49  258.529  388.922   26.781  388.578   26.807 0.3439636 37.89262 
1 1 1    5    7   17 o  582.973   17.956  4260.79  261.396  4415.90  369.677  4105.68  369.662  592.360   24.991  571.003   25.925 21.35663 36.00906 
1 1 1    5    7   18 o  605.076   18.911  4592.38  285.738  4617.83  403.905  4566.89  404.284  605.367   26.718  601.983   26.894 3.384705 37.90971 
1 1 1    5    7   19 o  290.610   11.072  1056.23   80.348  1131.80  113.176  979.435  114.088  300.232   15.144  279.088   16.443 21.14417 22.35412 
1 1 1    5    7   20 o  699.771   25.093  6170.27  438.488  6164.61  536.963  6181.59  759.689  697.839   30.813  692.554   44.157 5.285278 53.84529 
1 1 1    5    7   21 o  997.030   43.727 12800.29  1088.71 12800.29  1088.71   0.0000   0.0000  997.030   43.727  ?   ?  0.000000 43.72735 
1 1 1    5    7   22 o  613.518   39.756  4859.64  605.811  4859.64  605.811   0.0000   0.0000  613.518   39.756  ?   ?  0.000000 39.75598 
1 1 1    5    7   23 o  371.305   14.687  1729.70  136.179  1702.12  166.692  1785.05  236.131  367.868   18.146  374.591   25.393 -6.723511 31.21022 
1 1 1    5    7   24 o  716.925   25.741  6529.75  460.834  6549.14  564.438  6490.99  798.093  714.870   31.618  700.573   45.873 14.29681 55.71371 
1 1 1    5    7   25 o  296.417   12.557  1102.44   92.950  1014.84  113.741  1278.58  161.278  283.498   16.133  317.305   20.463 -33.80698 26.05770 
1 1 1    5    7   26 o  239.342   11.301  718.581   67.545  688.841   82.802  777.735  116.778  233.591   14.263  247.240   19.061 -13.64922 23.80717 
1 1 1    5    7   27 o  355.741   17.713  1600.73  157.352  1411.93  222.564  1789.42  222.495  330.204   27.234  373.413   23.987 -43.20944 36.29190 
1 1 1    5    7   28 o  211.165   10.871  561.232   57.128  493.691   70.122  694.546   98.516  197.416   14.321  233.716   16.996 -36.30057 22.22545 
1 1 1    5    7   29 o  263.434   11.709  872.298   77.029  907.322   94.738  803.978  132.315  267.884   14.213  250.120   21.390 17.76398 25.68131 
1 1 1    5    7   30 o  276.812   12.415  964.297   85.818  928.717  105.474  1033.99  147.614  270.591   15.676  283.863   20.973 -13.27145 26.18406 
1 1 1    5    7   31 o  348.298   25.378  1574.05  219.210   0.0000   0.0000  1574.05  219.210  ?   ?   348.298   25.378 0.000000 25.37803 
1 1 1    5    7   32 o  320.282   24.258  1329.01  192.579  1329.01  192.579   0.0000   0.0000  320.282   24.258  ?   ?  0.000000 24.25828 
1 1 1    5    7   33 o  285.448   12.600  1026.60   89.813  1038.47  110.770  1003.81  153.444  286.013   15.568  278.820   22.223 7.192169 27.13305 
1 1 1    5    7   34 o  557.942   20.909  3989.29  291.320  3994.08  357.399  3979.81  502.878  554.563   25.808  541.200   37.440 13.36279 45.47275 
1 1 1    5    7   35 o  290.920   13.410  1068.95   97.420  959.081  120.289  1278.39  166.077  273.877   17.683  314.787   21.252 -40.91003 27.64615 
1 1 1    5    7   36 o  357.473   14.882  1620.64  132.846  1592.34  163.783  1675.07  227.128  352.314   18.683  357.243   25.630 -4.928833 31.71688 
1 1 1    5    7   37 o  293.494   16.299  1102.01  118.988  1075.95  171.085  1126.43  165.598  285.922   24.188  293.433   22.778 -7.510498 33.22503 
1 1 1    5    7   38 o  429.442   16.305  2362.50  174.849  2559.55  215.798  1985.89  298.332  444.629   19.436  379.588   31.765 65.04150 37.23916 
1 1 1    5    7   39 o  166.602   11.500  353.542   47.551  346.276   61.545  364.305   74.901  163.665   15.234  166.684   18.295 -3.018967 23.80720 
1 1 1    5    7   40 o  158.936   11.383  322.740   44.881  357.646   59.146  275.361   68.908  166.256   14.388  143.476   19.757 22.78008 24.44051 
1 1 1    5    7   41 f  158.247   24.181  348.921   92.522  348.921   92.522   0.0000   0.0000  158.247   24.181  ?   ?  0.000000 24.18062 
1 1 1    5    7   42 o   93.986   14.387  117.041   32.692  113.972   46.680  119.996   45.800   90.082   21.118   92.806   20.325 -2.723236 29.31022 
1 1 1    5    7   43 o   59.231   17.828   47.674   28.529   41.197   45.009   52.024   36.885   59.531   22.350   62.238   20.486 -2.707306 30.31852 
1 1 1    5    7   44 o   94.586   15.692  120.990   35.765  122.075   52.822  120.072   48.599   91.394   23.126   91.368   21.634 0.2603149E-01 31.66782 
1 1 1    5    7   45 o   53.340   18.736   36.442   30.911   45.328   52.179   31.638   38.368   61.697   23.845   53.379   20.496 8.318035 31.44304 
1 1 1    5    7   46 o  173.421   13.966  401.250   59.967  374.126   82.029  432.385   87.886  161.360   20.845  173.764   20.659 -12.40331 29.34769 
1 1 1    5    8    0 o  190.674   17.869  462.492   84.092   0.0000   0.0000  462.492   84.092  ?   ?   190.674   17.869 0.000000 17.86925 
1 1 1    5    8    1 o  292.430   15.488  1078.87  112.698  1069.60  159.248  1088.18  159.510  289.603   22.189  292.166   22.025 -2.563171 31.26407 
1 1 1    5    8    2 f  474.130   22.074  2850.12  261.352  2864.53  369.543  2835.70  369.671  470.623   31.628  468.145   31.810 2.478455 44.85782 
1 1 1    5    8    3 o  207.800   12.874  544.000   66.476  549.108   93.925  538.873   94.097  207.846   18.282  205.840   18.504 2.006195 26.01213 
1 1 1    5    8    4 o  122.600   10.991  189.878   33.294  187.612   46.967  192.168   47.202  121.086   15.918  122.596   15.785 -1.509666 22.41793 
1 1 1    5    8    5 o  407.800   28.164  2137.20  285.048  2137.20  285.048   0.0000   0.0000  407.800   28.164  ?   ?  0.000000 28.16370 
1 1 1    5    8    6 f  338.272   24.450  1462.53  205.145  1462.53  205.145   0.0000   0.0000  338.272   24.450  ?   ?  0.000000 24.44998 
1 1 1    5    8    7 o  452.324   17.181  2577.86  194.067  2515.07  237.548  2703.86  336.513  445.689   21.344  458.335   29.559 -12.64597 36.45934 
1 1 1    5    8    8 o  418.251   13.960  2196.90  145.809  2237.82  206.256  2156.03  206.154  420.944   19.622  413.091   19.985 7.852173 28.00691 
1 1 1    5    8    9 o  285.173   10.329  1018.44   73.552  1028.15  104.041  1008.73  103.997  285.734   14.630  282.992   14.767 2.741974 20.78747 
1 1 1    5    8   10 o  574.591   18.223  4156.80  261.480  4170.81  369.816  4142.80  369.760  573.159   25.838  571.200   25.923 1.959045 36.60049 
1 1 1    5    8   11 o   75.876   7.4776   72.667   13.984   67.576   19.762   77.774   19.791   72.619   11.262   78.149   10.400 -5.529533 15.32934 
1 1 1    5    8   12 f  575.596   18.189  4162.00  261.450  4122.67  369.707  4201.33  369.785  571.085   25.924  576.573   25.683 -5.487549 36.49218 
1 1 1    5    8   13 o  327.272   11.572  1340.18   94.571  1278.03  133.708  1402.39  133.780  318.774   16.857  334.456   16.018 -15.68192 23.25326 
1 1 1    5    8   14 o  809.439   24.800  8253.29  501.294  8506.90  709.237  8000.11  708.636  818.338   34.706  793.163   35.778 25.17468 49.84535 
1 1 1    5    8   15 o  413.426   13.766  2139.53  142.122  2191.10  201.027  2088.00  200.955  417.871   19.265  407.872   19.730 9.998627 27.57529 
1 1 1    5    8   16 f  271.581   10.286  922.167   69.756  916.341   98.538  928.020   98.762  270.137   14.662  271.864   14.601 -1.727753 20.69220 
1 1 1    5    8   17 o  509.884   23.201  3268.30  295.410  3379.95  417.975  3156.87  417.569  515.827   32.617  498.136   33.768 17.69128 46.94788 
1 1 1    5    8   18 o  283.549   15.042  1009.61  106.126  954.006  149.802  1065.63  150.368  274.694   22.024  290.591   20.860 -15.89761 30.33464 
1 1 1    5    8   19 o  278.172   11.965  968.019   83.116  940.929  101.668  1022.61  144.326  273.702   14.931  284.664   20.439 -10.96176 25.31206 
1 1 1    5    8   20 o  250.460   11.189  784.663   69.981  754.370   85.564  845.871  121.625  245.053   14.041  258.928   18.942 -13.87598 23.57827 
1 1 1    5    8   21 o  308.860   12.395  1194.03   95.599  1020.22  116.740  1547.91  166.571  284.756   16.488  350.558   19.100 -65.80173 25.23185 
1 1 1    5    8   22 o  376.614   14.716  1778.11  138.402  1668.94  169.305  1998.02  240.295  363.953   18.691  397.122   24.348 -33.16891 30.69552 
1 1 1    5    8   23 o  370.870   25.989  1750.72  239.175  1750.72  239.175   0.0000   0.0000  370.870   25.989  ?   ?  0.000000 25.98944 
1 1 1    5    8   24 o  216.715   10.338  588.007   55.947  472.517   68.275  824.053   97.609  193.520   14.228  255.680   15.359 -62.15906 20.93638 
1 1 1    5    8   25 o  253.851   11.419  807.752   72.384  708.977   88.520  1007.09  125.750  237.019   15.034  282.086   17.945 -45.06744 23.40999 
1 1 1    5    8   26 o  205.600   10.575  531.258   54.109  490.060   66.271  613.648   93.718  197.020   13.552  219.897   17.204 -22.87718 21.90063 
1 1 1    5    8   27 f  395.061   15.441  1967.45  152.329  1944.57  186.634  2013.11  263.645  391.777   19.077  394.984   26.889 -3.206329 32.96905 
1 1 1    5    8   28 o  150.804   9.8537  286.387   36.904  252.009   45.493  352.541   63.108  140.941   13.075  166.474   15.354 -25.53314 20.16631 
1 1 1    5    8   29 o  312.910   16.429  1241.59  127.929  1062.17  181.092  1420.32  180.747  286.175   25.611  332.818   21.869 -46.64255 33.67822 
1 1 1    5    8   30 f  343.374   14.216  1487.14  121.895  1395.90  149.473  1668.31  210.614  331.155   18.144  359.829   23.569 -28.67407 29.74430 
1 1 1    5    8   31 o  569.161   21.161  4139.71  300.768  4192.10  368.764  4035.60  519.820  569.485   25.931  546.832   38.309 22.65259 46.25983 
1 1 1    5    8   32 o  327.350   13.924  1351.97  113.819  1258.43  139.777  1536.06  196.085  314.286   17.884  345.209   22.876 -30.92282 29.03686 
1 1 1    5    8   33 o  385.939   27.843  1949.03  266.537  1949.03  266.537   0.0000   0.0000  385.939   27.843  ?   ?  0.000000 27.84288 
1 1 1    5    8   34 o  338.318   14.311  1446.29  120.902  1335.96  148.624  1662.13  207.878  323.385   18.481  358.481   23.349 -35.09656 29.77785 
1 1 1    5    8   35 o  336.242   14.398  1429.85  120.898  1343.70  148.834  1596.95  207.286  324.139   18.464  350.778   23.805 -26.63934 30.12616 
1 1 1    5    8   36 o  185.445   11.660  435.012   53.720  318.904   67.182  640.878   89.457  157.310   17.393  224.047   16.096 -66.73723 23.69819 
1 1 1    5    8   37 o  128.322   10.789  208.868   34.253  272.029   45.732  128.155   51.697  146.177   12.653   97.747   21.741 48.43043 25.15479 
1 1 1    5    8   38 o  251.808   15.002  810.640   93.908  812.664  136.192  808.806  129.661  248.755   22.156  248.740   21.072 0.1487732E-01 30.57698 
1 1 1    5    8   39 o  110.670   12.516  157.420   33.982  141.886   46.625  175.023   49.632  103.188   18.787  115.200   17.829 -12.01216 25.89966 
1 1 1    5    8   40 o  287.617   13.570  1057.98   97.467  1012.59  121.337  1140.54  163.643  278.704   17.523  291.835   22.632 -13.13043 28.62278 
1 1 1    5    8   41 o  238.355   12.554  728.900   74.457  727.023   94.063  732.050  121.846  236.059   16.052  233.270   21.147 2.789459 26.54930 
1 1 1    5    8   42 o   89.621   14.909  106.817   32.195  107.065   46.561  106.590   44.566   87.338   21.494   87.403   20.732 -0.6492615E-01 29.86310 
1 1 1    5    8   43 o   94.644   29.641  135.808   77.884  135.808   77.884   0.0000   0.0000   94.644   29.641  ?   ?  0.000000 29.64142 
1 1 1    5    8   44 o   60.277   18.487   49.622   30.475   13.889   47.861   73.989   39.523   51.780   21.782   72.327   20.782 -20.54702 30.10524 
1 1 1    5    8   45 o   54.563   18.737   38.725   30.828   23.471   50.204   47.959   39.060   54.875   22.633   60.234   21.067 -5.358738 30.92072 
1 1 1    5    8   46 o  133.564   14.609  239.312   47.931  241.885   68.460  236.837   67.129  128.959   22.051  127.762   21.824 1.197418 31.02500 
1 1 1    5    9    0 o  102.784   11.050  133.906   27.916  138.620   39.243  129.078   39.721  103.856   15.615   99.980   16.484 3.875420 22.70541 
1 1 1    5    9    1 o  648.663   42.876  5573.71  690.604   0.0000   0.0000  5573.71  690.604  ?   ?   648.663   42.876 0.000000 42.87617 
1 1 1    5    9    2 o  147.871   11.485  275.785   42.076  302.475   59.445  248.989   59.563  154.275   15.647  139.484   17.485 14.79103 23.46337 
1 1 1    5    9    3 o  192.225   12.470  465.556   59.536  470.575   84.097  460.514   84.298  192.392   17.703  190.259   17.955 2.133133 25.21453 
1 1 1    5    9    4 o  189.054   12.374  450.314   58.097  449.395   82.024  451.240   82.301  187.984   17.681  188.368   17.704 -0.3841705 25.02088 
1 1 1    5    9    5 o  358.966   25.542  1649.45  227.465   0.0000   0.0000  1649.45  227.465  ?   ?   358.966   25.542 0.000000 25.54190 
1 1 1    5    9    6 o  112.446   15.648  162.046   42.749  162.046   42.749   0.0000   0.0000  112.446   15.648  ?   ?  0.000000 15.64824 
1 1 1    5    9    7 o  321.017   13.125  1293.28  105.214  1350.07  128.881  1179.81  182.179  327.622   15.753  303.845   24.211 23.77658 28.88494 
1 1 1    5    9    8 o  611.755   22.293  4738.46  340.556  4680.36  416.961  4854.87  590.239  605.777   27.563  609.515   38.983 -3.737244 47.74304 
1 1 1    5    9    9 o  168.251   9.0802  355.241   38.009  307.282   46.424  452.760   66.200  156.128   11.999  189.420   14.096 -33.29108 18.51160 
1 1 1    5    9   10 o  343.788   13.857  1482.26  118.960  1505.22  145.704  1436.33  206.020  346.075   16.860  335.934   24.733 10.14078 29.93248 
1 1 1    5    9   11 o  932.590   28.572 11038.06  665.401 11154.12  941.154 10922.08  940.884  929.890   40.530  919.852   40.961 10.03809 57.62359 
1 1 1    5    9   12 o  243.609   9.4033  742.119   57.204  676.165   80.815  808.347   80.982  231.894   14.022  253.757   12.821 -21.86353 18.99973 
1 1 1    5    9   13 o  294.631   10.806  1085.84   79.504  1080.92  112.458  1090.75  112.413  293.288   15.409  294.632   15.332 -1.343781 21.73689 
1 1 1    5    9   14 o  518.027   16.509  3363.58  213.557  3461.40  302.159  3265.94  301.872  524.544   23.068  509.407   23.731 15.13672 33.09465 
1 1 1    5    9   15 o  206.250   8.6423  531.669   44.512  543.970   63.008  519.414   62.891  208.166   12.174  203.372   12.443 4.794464 17.40804 
1 1 1    5    9   16 o  251.710   9.9545  792.096   62.571  836.913   88.449  747.198   88.529  258.219   13.766  243.860   14.605 14.35892 20.07037 
1 1 1    5    9   17 o  450.019   14.720  2535.59  165.425  2637.10  233.964  2434.11  233.929  458.353   20.441  440.261   21.278 18.09128 29.50533 
1 1 1    5    9   18 o  580.565   18.299  4226.67  265.295  4142.43  374.958  4311.12  375.410  573.457   26.184  585.112   25.693 -11.65497 36.68409 
1 1 1    5    9   19 o  1128.83   49.216 16429.25  1387.34 16983.94  1962.85 15875.52  1961.13  1127.88   70.037  1087.71   72.618 40.17090 100.8889 
1 1 1    5    9   20 o  457.703   17.173  2626.84  196.284  2514.03  240.210  2853.52  340.505  447.229   21.509  474.363   28.883 -27.13425 36.01140 
1 1 1    5    9   21 o  880.460   31.253  9830.39  687.160  9821.14  841.540  9848.91  1190.35  876.594   38.444  865.680   55.354 10.91382 67.39401 
1 1 1    5    9   22 o  448.732   17.050  2527.62  191.052  2498.57  233.902  2585.85  331.158  445.529   21.024  450.541   29.599 -5.012390 36.30536 
1 1 1    5    9   23 f  506.818   18.881  3231.66  238.956  3244.06  292.647  3206.86  413.919  506.831   23.122  499.842   33.353 6.989136 40.58389 
1 1 1    5    9   24 o  305.992   12.665  1173.77   96.774  1053.08  118.315  1417.74  168.214  288.975   16.464  334.664   20.223 -45.68863 26.07737 
1 1 1    5    9   25 o  689.738   45.440  6321.85  778.273  6321.85  778.273   0.0000   0.0000  689.738   45.440  ?   ?  0.000000 45.43977 
1 1 1    5    9   26 o  346.567   14.047  1509.84  121.565  1460.90  148.878  1607.75  210.577  339.812   17.605  354.611   23.920 -14.79919 29.69980 
1 1 1    5    9   27 o  484.513   18.164  2969.17  219.764  2765.88  268.985  3377.31  381.124  465.781   23.126  510.308   30.040 -44.52689 37.91058 
1 1 1    5    9   28 o  297.792   12.761  1115.15   94.895  1016.69  116.209  1312.22  164.401  283.205   16.503  320.578   20.646 -37.37350 26.43140 
1 1 1    5    9   29 o   79.497   10.268   80.598   19.908   59.327   24.909  118.209   33.122   67.257   15.190   95.824   14.278 -28.56695 20.84674 
1 1 1    5    9   30 o  196.431   18.274  493.741   88.610   0.0000   0.0000  493.741   88.610  ?   ?   196.431   18.274 0.000000 18.27398 
1 1 1    5    9   31 o  731.582   33.594  7072.20  613.724  7072.20  613.724   0.0000   0.0000  731.582   33.594  ?   ?  0.000000 33.59383 
1 1 1    5    9   32 f  133.977   10.427  226.757   34.611  143.451   43.054  378.931   58.190  105.111   16.982  172.842   13.591 -67.73123 21.75103 
1 1 1    5    9   33 o  376.329   15.247  1790.89  143.282  1727.29  175.940  1916.13  246.895  367.751   19.225  383.953   25.902 -16.20221 32.25691 
1 1 1    5    9   34 o  243.429   11.901  745.902   72.344  685.771   89.469  859.463  122.955  232.262   15.515  258.989   19.147 -26.72769 24.64397 
1 1 1    5    9   35 o  236.225   21.205  720.959  123.754  720.959  123.754   0.0000   0.0000  236.225   21.205  ?   ?  0.000000 21.20477 
1 1 1    5    9   36 o  391.352   15.959  1944.19  155.963  1878.13  191.836  2072.98  267.859  382.293   20.166  397.180   27.170 -14.88684 33.83579 
1 1 1    5    9   37 o  417.036   16.690  2216.00  173.809  2185.46  214.015  2275.19  297.887  411.335   20.904  413.420   29.038 -2.084869 35.77995 
1 1 1    5    9   38 o  109.709   11.761  153.744   31.719  164.717   42.761  140.320   47.297  112.680   15.617  102.896   19.111 9.783806 24.67975 
1 1 1    5    9   39 o  106.730   12.582  146.441   32.889  111.154   44.357  189.526   49.015   90.835   20.088  120.425   16.753 -29.59042 26.15708 
1 1 1    5    9   40 o  319.876   17.565  1329.81  139.768  1238.06  200.005  1417.38  195.401  300.828   26.908  324.584   24.283 -23.75540 36.24520 
1 1 1    5    9   41 o   99.783   13.804  130.021   33.474   79.610   46.234  185.559   48.528   76.162   22.645  118.392   16.893 -42.23024 28.25189 
1 1 1    5    9   42 o  180.316   11.691  417.259   52.357  456.662   68.519  361.966   81.167  187.191   14.778  163.498   20.318 23.69252 25.12394 
1 1 1    5    9   43 o  165.531   12.310  354.174   50.521  351.854   66.964  357.239   76.973  162.698   16.720  162.316   19.373 0.3816071 25.59021 
1 1 1    5    9   44 o   83.414   30.143  100.242   80.565  100.242   80.565   0.0000   0.0000   83.414   30.143  ?   ?  0.000000 30.14349 
1 1 1    5    9   45 o   84.502   17.247   98.583   35.161   97.157   53.586   99.662   46.595   81.188   24.433   82.925   22.101 -1.737396 32.94582 
1 1 1    5    9   46 o  168.573   13.293  374.563   55.504  406.423   76.020  338.187   81.228  172.024   17.961  153.639   21.781 18.38515 28.23191 
1 1 1    5    9   47 f   62.879   20.090   56.495   35.624   72.836   57.591   46.368   45.339   70.481   25.483   59.859   22.440 10.62230 33.95499 
1 1 1    5   10    0 o  520.351   23.669  3429.45  307.554  3231.01  434.389  3628.91  435.506  499.765   35.028  530.782   33.021 -31.01697 48.13856 
1 1 1    5   10    1 o  285.754   15.246  1028.92  108.401  1010.88  153.071  1047.07  153.534  281.864   21.920  286.974   21.583 -5.110382 30.76160 
1 1 1    5   10    2 o  204.771   18.404  532.731   93.105   0.0000   0.0000  532.731   93.105  ?   ?   204.771   18.404 0.000000 18.40432 
1 1 1    5   10    3 o  327.001   16.610  1349.25  135.193  1306.41  190.934  1392.33  191.450  319.909   24.077  330.528   23.345 -10.61948 33.53656 
1 1 1    5   10    4 o  556.071   25.325  3933.50  351.660  3962.04  497.307  3904.97  497.339  551.689   36.300  547.510   36.586 4.179565 51.53900 
1 1 1    5   10    5 o  141.126   11.315  251.191   39.540  246.179   55.648  256.300   56.192  138.942   16.352  141.840   16.152 -2.898285 22.98423 
1 1 1    5   10    6 o  281.897   15.136  1001.46  106.158  1047.74  150.052  955.089  150.207  287.134   21.074  273.817   22.157 13.31760 30.57891 
1 1 1    5   10    7 o  144.408   16.235  265.466   57.532  265.466   57.532   0.0000   0.0000  144.408   16.235  ?   ?  0.000000 16.23539 
1 1 1    5   10    8 o  412.094   15.705  2133.66  161.615  2064.98  197.803  2271.59  280.309  404.711   19.572  421.919   26.743 -17.20786 33.13982 
1 1 1    5   10    9 o  475.403   17.909  2842.88  212.606  2879.30  260.383  2770.05  368.261  477.582   21.833  464.536   31.940 13.04666 38.68894 
1 1 1    5   10   10 o  291.543   12.471  1064.71   90.796  1077.93  111.175  1038.23  157.337  292.721   15.262  286.063   22.199 6.657806 26.93929 
1 1 1    5   10   11 o  237.604   11.027  706.474   65.425  693.121   80.070  733.301  113.489  234.809   13.715  240.809   19.027 -6.000183 23.45524 
1 1 1    5   10   12 o  353.089   14.159  1561.74  124.848  1576.36  152.901  1532.49  216.258  354.455   17.274  347.681   25.076 6.773743 30.45037 
1 1 1    5   10   13 o  774.597   23.728  7554.77  458.982  7566.94  649.118  7542.60  649.078  771.954   33.673  770.692   33.726 1.262329 47.65831 
1 1 1    5   10   14 f  148.867   7.7262  277.680   28.623  296.399   40.549  259.091   40.410  153.586   10.638  143.474   11.372 10.11240 15.57220 
1 1 1    5   10   15 o  426.085   13.881  2272.59  147.693  2427.05  209.074  2118.73  208.666  439.834   19.035  410.809   20.340 29.02515 27.85820 
1 1 1    5   10   16 o  694.234   21.080  6052.22  365.449  6260.07  517.041  5844.73  516.604  704.160   29.404  680.136   30.417 24.02368 42.30550 
1 1 1    5   10   17 o  768.626   23.450  7428.51  450.095  7547.67  636.625  7309.42  636.438  772.116   33.018  759.662   33.549 12.45392 47.07176 
1 1 1    5   10   18 o  786.276   23.474  7774.67  460.907  7492.52  651.410  8057.53  652.233  768.896   33.926  797.765   32.740 -28.86975 47.14755 
1 1 1    5   10   19 o  362.417   14.359  1644.57  129.950  1624.66  159.098  1684.49  225.242  359.954   17.700  364.946   24.864 -4.991516 30.52025 
1 1 1    5   10   20 f  628.299   22.678  4965.85  355.812  4910.14  435.682  5077.43  616.560  623.556   27.980  629.460   39.423 -5.903870 48.34317 
1 1 1    5   10   21 o  453.400   21.071  2585.09  238.569  2487.23  337.244  2683.11  337.531  441.950   30.749  459.428   29.577 -17.47739 42.66534 
1 1 1    5   10   22 o  292.397   12.502  1070.57   91.289  1061.17  111.755  1089.44  158.261  290.483   15.462  293.322   21.761 -2.839661 26.69506 
1 1 1    5   10   23 o  748.281   26.812  7098.48  501.009  6967.40  613.445  7361.04  868.234  738.334   33.271  749.375   46.628 -11.04193 57.28121 
1 1 1    5   10   24 o  368.752   14.470  1706.65  133.245  1571.68  162.999  1978.52  231.331  352.803   18.567  394.674   23.580 -41.87039 30.01190 
1 1 1    5   10   25 o  735.977   26.544  6901.49  487.842  6772.60  597.354  7159.61  845.329  725.125   32.989  733.480   46.391 -8.354858 56.92411 
1 1 1    5   10   26 o  192.712   12.638  468.175   60.481  468.175   60.481   0.0000   0.0000  192.712   12.638  ?   ?  0.000000 12.63790 
1 1 1    5   10   27 o  472.518   32.159  2911.14  377.210  2911.14  377.210   0.0000   0.0000  472.518   32.159  ?   ?  0.000000 32.15923 
1 1 1    5   10   28 o  371.055   14.853  1735.45  137.622  1722.33  168.675  1761.59  238.021  368.744   18.318  369.444   25.965 -0.7009583 31.77602 
1 1 1    5   10   29 o  217.153   10.777  591.959   58.441  604.711   71.891  567.112  100.349  218.794   13.220  210.464   19.309 8.329422 23.40082 
1 1 1    5   10   30 f  339.623   14.026  1454.05  118.954  1434.97  145.896  1491.89  205.448  336.081   17.444  339.964   24.362 -3.883087 29.96309 
1 1 1    5   10   31 o  594.906   22.061  4528.68  327.729  4305.97  401.364  4974.25  567.699  575.919   27.908  608.772   37.526 -32.85315 46.76612 
1 1 1    5   10   32 o  299.735   15.900  1139.74  118.582  1159.55  168.391  1120.25  167.016  299.934   22.649  294.686   22.875 5.247284 32.19121 
1 1 1    5   10   33 o  426.263   16.687  2302.95  177.625  2291.01  217.991  2326.55  306.408  423.503   20.613  421.079   29.323 2.423767 35.84272 
1 1 1    5   10   34 o  160.827   10.637  326.409   42.480  303.785   53.396  365.419   70.114  154.519   13.990  168.930   16.845 -14.41100 21.89692 
1 1 1    5   10   35 o  230.745   11.371  669.901   65.520  688.864   81.487  635.222  110.198  233.110   14.064  222.066   20.090 11.04376 24.52325 
1 1 1    5   10   36 o  350.880   14.970  1559.15  131.167  1317.15  161.103  2035.02  225.913  320.049   20.262  396.549   22.911 -76.50058 30.58550 
1 1 1    5   10   37 o  282.405   23.512  1040.92  164.303  1040.92  164.303   0.0000   0.0000  282.405   23.512  ?   ?  0.000000 23.51186 
1 1 1    5   10   38 o  216.258   11.725  592.173   63.085  587.219   79.345  600.686  104.012  214.435   14.910  215.191   19.569 -0.7564850 24.60246 
1 1 1    5   10   39 o  227.504   12.660  658.290   71.642  524.340   89.442  898.054  119.664  201.041   18.007  263.340   18.311 -62.29865 25.68126 
1 1 1    5   10   40 o  154.417   11.807  304.249   45.185  257.283   58.755  372.232   70.690  140.230   17.135  169.077   16.972 -28.84731 24.11735 
1 1 1    5   10   41 o  187.640   13.669  453.308   63.611  484.886   94.556  427.203   85.973  190.835   20.146  179.365   19.509 11.47003 28.04411 
1 1 1    5   10   42 o  247.176   12.690  785.085   78.062  800.966   98.829  758.741  127.287  247.574   16.073  236.606   21.788 10.96771 27.07475 
1 1 1    5   10   43 o  148.451   12.751  285.536   46.812  234.562   62.316  351.557   70.919  131.227   19.618  162.190   17.803 -30.96286 26.49183 
1 1 1    5   10   44 o  123.859   13.157  200.509   40.071  220.483   56.462  180.239   56.878  127.461   18.261  113.714   20.796 13.74635 27.67574 
1 1 1    5   10   45 o   82.785   17.112   94.296   34.207  123.088   52.913   73.623   44.837   91.998   23.073   72.022   22.479 19.97604 32.21323 
1 1 1    5   10   46 o  126.103   34.820  273.668  113.259  273.668  113.259   0.0000   0.0000  126.103   34.820  ?   ?  0.000000 34.81992 
1 1 1    5   10   47 o   44.934   18.454   14.460   33.200   44.161   55.255  -2.3214   41.533   61.507   24.311   43.967   19.387 17.54007 31.09495 
1 1 1    5   11    0 o  289.281   15.422  1052.95  111.004  1080.12  156.705  1025.57  157.264  291.930   21.650  284.286   22.332 7.644043 31.10396 
1 1 1    5   11    1 o  496.463   22.863  3113.21  283.452  3123.74  400.645  3102.64  401.080  493.349   32.706  491.609   32.860 1.739594 46.36220 
1 1 1    5   11    2 o  537.232   24.466  3654.21  328.234  3616.37  463.941  3692.13  464.445  529.434   35.294  535.140   34.947 -5.706299 49.66808 
1 1 1    5   11    3 f  212.525   18.672  572.997   98.088   0.0000   0.0000  572.997   98.088  ?   ?   212.525   18.672 0.000000 18.67161 
1 1 1    5   11    4 o  324.063   23.699  1336.26  190.449   0.0000   0.0000  1336.26  190.449  ?   ?   324.063   23.699 0.000000 23.69854 
1 1 1    5   11    5 o  305.258   22.696  1184.54  171.774  1184.54  171.774   0.0000   0.0000  305.258   22.696  ?   ?  0.000000 22.69643 
1 1 1    5   11    6 o  601.962   27.093  4604.70  407.262  4568.60  575.713  4640.87  576.199  592.884   39.105  597.747   38.812 -4.863281 55.09567 
1 1 1    5   11    7 o  481.112   22.157  2923.12  266.205  2813.83  376.104  3032.84  376.839  468.009   32.380  486.443   31.187 -18.43448 44.95649 
1 1 1    5   11    8 f  639.412   41.544  5316.98  659.746  5316.98  659.746   0.0000   0.0000  639.412   41.544  ?   ?  0.000000 41.54382 
1 1 1    5   11    9 o  453.590   21.128  2592.12  239.315  2725.31  338.496  2459.03  338.388  462.254   29.478  438.470   31.107 23.78485 42.85497 
1 1 1    5   11   10 o  141.201   9.1046  250.353   31.932  247.287   38.987  256.600   55.658  140.122   11.236  142.145   15.956 -2.023712 19.51502 
1 1 1    5   11   11 o  684.750   24.617  5913.88  420.937  6010.99  515.603  5719.80  728.904  688.678   29.981  664.734   44.162 23.94391 53.37759 
1 1 1    5   11   12 o  348.684   14.041  1522.68  122.257  1537.28  149.709  1493.44  211.826  350.092   17.124  343.331   24.875 6.760895 30.19986 
1 1 1    5   11   13 o  369.743   14.639  1712.24  135.162  1727.66  165.526  1681.38  234.143  371.124   17.861  364.306   25.906 6.817963 31.46638 
1 1 1    5   11   14 o  383.777   14.902  1844.58  142.818  1863.35  174.941  1807.09  247.296  385.439   18.175  377.741   26.382 7.698242 32.03687 
1 1 1    5   11   15 o  836.705   36.327  8893.38  759.029  8391.08  1072.68  9397.10  1074.18  802.981   53.806  851.824   50.728 -48.84344 73.94901 
1 1 1    5   11   16 o  562.740   25.181  3986.44  353.859  4203.91  500.673  3769.38  500.193  574.680   35.056  543.435   37.080 31.24542 51.02776 
1 1 1    5   11   17 o  851.868   37.171  9223.05  790.736  9146.55  1118.02  9299.62  1118.52  838.860   53.652  846.148   53.206 -7.288086 75.56128 
1 1 1    5   11   18 o  214.753   10.225  576.636   54.837  581.845   67.150  566.209   95.010  215.282   12.545  211.721   18.146 3.560883 22.06003 
1 1 1    5   11   19 o  864.424   30.584  9450.53  660.186  9655.99  808.769  9040.25  1142.89  871.115   37.179  831.865   55.333 39.25012 66.66339 
1 1 1    5   11   20 o  355.948   14.014  1586.56  124.562  1607.92  152.584  1543.87  215.669  358.085   17.064  349.175   24.897 8.910339 30.18336 
1 1 1    5   11   21 o  409.832   15.848  2105.80  162.194  2040.29  198.563  2237.15  281.167  402.953   19.733  419.962   26.953 -17.00934 33.40418 
1 1 1    5   11   22 o  506.363   18.832  3222.68  238.130  3159.43  291.576  3349.36  412.658  500.488   23.330  511.945   32.446 -11.45627 39.96301 
1 1 1    5   11   23 o  188.297   12.408  446.078   58.016  390.104   82.069  501.996   82.027  175.060   19.082  199.236   16.639 -24.17599 25.31789 
1 1 1    5   11   24 o  374.822   14.793  1763.77  138.466  1691.44  169.515  1908.80  240.031  366.017   18.608  387.223   24.956 -21.20609 31.12943 
1 1 1    5   11   25 o  348.241   14.030  1522.85  122.010  1428.17  149.346  1712.84  211.570  336.191   17.853  366.821   23.216 -30.62952 29.28722 
1 1 1    5   11   26 o   82.082   9.3261   85.450   18.777   71.730   23.065  112.408   32.331   74.545   12.855   93.509   14.300 -18.96417 19.22873 
1 1 1    5   11   27 o  400.685   15.598  2023.38  156.070  1912.16  191.075  2246.31  270.523  387.940   19.789  417.981   26.047 -30.04132 32.71207 
1 1 1    5   11   28 o  409.020   28.596  2171.37  290.237  2171.37  290.237   0.0000   0.0000  409.020   28.596  ?   ?  0.000000 28.59559 
1 1 1    5   11   29 o  220.345   19.149  620.872  104.317   0.0000   0.0000  620.872  104.317  ?   ?   220.345   19.149 0.000000 19.14869 
1 1 1    5   11   30 o  121.151   11.966  186.298   35.729  186.298   35.729   0.0000   0.0000  121.151   11.966  ?   ?  0.000000 11.96610 
1 1 1    5   11   31 o  482.648   18.389  2958.35  221.633  2878.63  271.638  3117.12  383.332  473.881   22.955  486.538   31.724 -12.65756 39.15790 
1 1 1    5   11   32 o  538.893   20.167  3703.02  271.397  3424.64  332.303  4260.68  470.325  514.154   25.966  567.093   33.359 -52.93823 42.27312 
1 1 1    5   11   33 o  194.949   12.928  480.829   62.577  489.553   89.687  472.552   87.355  195.368   18.608  191.961   18.450 3.407333 26.20460 
1 1 1    5   11   34 o  291.586   13.014  1071.60   94.757  904.306  116.518  1398.33  162.834  266.274   17.623  330.500   19.821 -64.22653 26.52265 
1 1 1    5   11   35 o  219.567   11.298  608.005   61.738  597.068   76.762  628.039  103.894  216.941   14.249  221.191   18.994 -4.250534 23.74405 
1 1 1    5   11   36 o  267.690   12.719  903.725   85.022  832.971  105.122  1037.54  144.569  255.608   16.558  283.882   20.532 -28.27452 26.37662 
1 1 1    5   11   37 o  207.876   11.704  546.290   60.507  473.725   75.667  674.981  100.767  192.504   15.882  229.406   17.727 -36.90150 23.80137 
1 1 1    5   11   38 o  371.776   28.168  1841.67  259.570  1841.67  259.570   0.0000   0.0000  371.776   28.168  ?   ?  0.000000 28.16828 
1 1 1    5   11   39 f  163.168   11.523  338.148   46.649  293.186   59.736  408.424   74.682  150.622   16.133  177.723   17.036 -27.10068 23.46264 
1 1 1    5   11   40 o   58.178   16.086   44.823   24.153   57.089   36.387   35.163   32.292   65.882   20.200   54.689   19.154 11.19206 27.83680 
1 1 1    5   11   41 o  242.665   12.752  753.118   77.005  711.674   96.852  824.338  126.964  233.910   16.691  249.299   20.578 -15.38940 26.49607 
1 1 1    5   11   42 o  202.969   12.083  527.985   60.966  517.427   78.240  544.304   97.272  199.083   15.870  202.014   19.526 -2.930466 25.16139 
1 1 1    5   11   43 o  223.907   14.499  652.357   80.633  711.776  118.321  600.836  110.178  229.065   20.916  210.032   21.302 19.03340 29.85322 
1 1 1    5   11   44 o  143.810   12.947  268.951   45.998  243.548   62.396  299.191   68.076  133.661   19.249  148.650   18.757 -14.98914 26.87638 
1 1 1    5   11   45 o  125.576   13.906  207.652   42.876  188.925   59.642  227.679   61.680  115.797   21.414  128.307   19.895 -12.50997 29.22961 
1 1 1    5   11   46 o  215.645   13.304  608.963   71.292  624.228   93.814  588.099  109.677  214.615   17.662  204.138   21.855 10.47696 28.09900 
1 1 1    5   11   47 o   77.429   32.983   71.252  112.048   71.252  112.048   0.0000   0.0000   77.429   32.983  ?   ?  0.000000 32.98277 
1 1 1    5   12    0 o  403.079   19.004  2041.44  191.286  1883.59  269.867  2200.81  271.178  384.724   28.288  416.549   26.203 -31.82483 38.55951 
1 1 1    5   12    1 o  605.796   27.147  4643.72  410.678  4603.27  580.440  4684.27  581.135  597.747   39.101  603.149   38.789 -5.402222 55.07721 
1 1 1    5   12    2 o  290.949   15.482  1064.75  112.082  1132.78  158.336  996.424  158.680  299.169   21.334  280.193   22.878 18.97528 31.28160 
1 1 1    5   12    3 o  176.602   17.436  395.488   75.890   0.0000   0.0000  395.488   75.890  ?   ?   176.602   17.436 0.000000 17.43593 
1 1 1    5   12    5 o  109.651   11.119  152.038   30.024  178.252   42.110  124.935   42.819  118.348   14.555   98.171   18.134 20.17705 23.25318 
1 1 1    5   12    6 o  457.481   21.325  2637.11  243.621  2661.54  344.305  2612.62  344.760  456.518   30.375  452.170   30.715 4.347626 43.19786 
1 1 1    5   12    7 o   59.953   11.671   46.542   16.845   58.049   23.140   33.570   24.569   66.787   14.305   52.291   16.682 14.49595 21.97571 
1 1 1    5   12    8 o  435.555   20.458  2387.09  222.518  2393.26  314.454  2380.91  314.923  433.448   29.222  432.285   29.347 1.163574 41.41469 
1 1 1    5   12    9 o  461.715   30.824  2717.70  353.357  2717.70  353.357   0.0000   0.0000  461.715   30.824  ?   ?  0.000000 30.82426 
1 1 1    5   12   10 o  193.994   12.538  473.069   60.415  500.738   85.156  445.028   85.727  199.025   17.306  187.354   18.568 11.67159 25.38237 
1 1 1    5   12   11 o   89.050   8.7261  100.080   19.155  113.928   23.244   70.769   33.816   94.931   9.9533   73.659   18.430 21.27270 20.94571 
1 1 1    5   12   12 o  592.175   21.547  4408.45  318.628  4346.08  390.082  4533.51  552.320  586.922   26.615  595.378   37.338 -8.455261 45.85279 
1 1 1    5   12   13 o  484.693   18.145  2946.88  219.626  2981.65  268.962  2877.31  380.469  486.998   22.116  475.536   32.230 11.46259 39.08823 
1 1 1    5   12   14 o  731.195   25.934  6736.30  473.530  6990.07  580.191  6230.01  819.508  743.324   31.257  694.351   47.550 48.97345 56.90288 
1 1 1    5   12   15 f  285.406   21.521  1028.98  152.256  1028.98  152.256   0.0000   0.0000  285.406   21.521  ?   ?  0.000000 21.52128 
1 1 1    5   12   16 o  669.595   29.585  5662.29  494.686  5662.29  494.686   0.0000   0.0000  669.595   29.585  ?   ?  0.000000 29.58466 
1 1 1    5   12   18 o  626.892   26.603  4953.90  416.468  5763.49  590.163  4150.81  587.794  672.901   35.244  568.506   41.694 104.3944 54.59452 
1 1 1    5   12   19 o  415.134   28.140  2185.58  289.992  2185.58  289.992   0.0000   0.0000  415.134   28.140  ?   ?  0.000000 28.13978 
1 1 1    5   12   20 o  538.527   24.300  3653.68  326.782  3836.59  462.336  3471.08  461.942  548.535   33.919  521.057   35.717 27.47778 49.25660 
1 1 1    5   12   21 o  163.175   9.3169  334.020   37.807  364.517   46.427  273.987   65.139  170.338   10.973  146.623   18.181 23.71581 21.23530 
1 1 1    5   12   22 o  527.940   19.505  3505.58  257.148  3577.86  315.051  3361.33  445.081  532.434   23.695  511.725   35.041 20.70898 42.30046 
1 1 1    5   12   23 o  173.198   9.8428  376.553   42.395  339.225   51.965  450.854   73.314  164.041   12.786  188.871   15.686 -24.82993 20.23726 
1 1 1    5   12   24 o  473.834   17.879  2826.11  211.557  2780.97  259.101  2916.40  366.431  469.031   22.122  476.590   30.957 -7.558929 38.04853 
1 1 1    5   12   25 f  409.121   19.502  2113.26  199.245  2025.51  281.663  2201.14  281.888  397.072   28.597  414.480   27.389 -17.40787 39.59767 
1 1 1    5   12   26 o  104.176   9.1151  136.918   23.474  116.860   28.941  175.490   40.133   95.708   12.401  117.353   13.969 -21.64518 18.67929 
1 1 1    5   12   27 o  409.107   15.994  2110.40  163.395  2033.38  200.120  2264.42  282.999  400.466   20.011  419.115   27.186 -18.64893 33.75722 
1 1 1    5   12   28 o  262.447   11.893  865.223   77.942  796.297   95.522  1002.53  134.821  250.825   15.324  280.479   19.368 -29.65433 24.69664 
1 1 1    5   12   29 o  136.508   9.4349  234.723   31.965  191.338   39.460  317.525   54.514  122.628   13.088  158.165   13.945 -35.53648 19.12489 
1 1 1    5   12   30 o  110.000   18.458  157.536   48.908  157.536   48.908   0.0000   0.0000  110.000   18.458  ?   ?  0.000000 18.45846 
1 1 1    5   12   31 o  354.853   14.518  1588.94  128.645  1556.18  157.830  1653.79  222.053  349.703   18.136  357.547   25.028 -7.843475 30.90774 
1 1 1    5   12   32 o   76.188   11.097   74.441   20.492   55.552   25.980  105.546   33.338   64.999   16.091   90.179   15.354 -25.18022 22.24156 
1 1 1    5   12   33 o  189.397   10.598  451.951   49.925  422.528   61.800  507.227   84.706  182.557   13.655  199.286   17.189 -16.72888 21.95309 
1 1 1    5   12   34 o  249.463   11.736  782.930   73.112  805.998   90.311  739.061  124.542  252.235   14.398  239.532   21.034 12.70319 25.48966 
1 1 1    5   12   35 f  277.623   15.401  978.418  106.354  931.853  150.960  1024.31  149.861  268.329   22.743  281.944   21.446 -13.61502 31.25987 
1 1 1    5   12   36 o  134.821   10.879  230.050   36.315  205.432   46.414  268.908   58.314  126.557   14.977  144.679   16.432 -18.12225 22.23309 
1 1 1    5   12   37 o  251.646   12.203  798.579   76.686  793.823   95.338  807.298  129.069  249.727   15.362  249.856   20.878 -0.1289520 25.92061 
1 1 1    5   12   38 o  270.699   12.938  926.620   87.457  877.599  108.608  1017.03  147.501  261.852   16.697  279.897   21.262 -18.04483 27.03421 
1 1 1    5   12   39 o   72.879   14.858   69.978   26.123   54.964   36.943   84.993   36.945   65.229   20.412   79.706   18.856 -14.47696 27.78891 
1 1 1    5   12   40 o  189.426   23.061  479.152  106.833  479.152  106.833   0.0000   0.0000  189.426   23.061  ?   ?  0.000000 23.06070 
1 1 1    5   12   41 o  223.824   11.779  638.268   65.606  677.701   83.263  573.700  106.545  229.438   14.608  207.813   20.811 21.62460 25.42615 
1 1 1    5   12   42 o  257.296   12.708  846.881   81.653  859.648  103.065  825.359  133.812  256.901   16.148  247.503   21.876 9.398483 27.18987 
1 1 1    5   12   43 o  115.235   13.432  173.128   37.927  132.564   52.156  218.646   55.250   97.314   21.981  127.804   17.794 -30.49031 28.28110 
1 1 1    5   12   44 o  218.430   12.736  616.660   69.169  611.667   89.396  624.109  109.186  214.889   16.793  213.972   20.693 0.9176178 26.64915 
1 1 1    5   12   45 o   56.184   19.361   40.304   32.933   40.981   55.181   39.929   41.044   62.196   24.386   58.023   21.429 4.173634 32.46345 
1 1 1    5   12   46 o  267.893   14.275  943.270   95.155  945.750  121.223  939.288  153.585  263.817   18.518  255.573   24.360 8.243317 30.59916 
1 1 1    5   12   47 o   95.811   23.344  136.467   55.340   0.0000   0.0000  136.467   55.340  ?   ?    95.811   23.344 0.000000 23.34450 
1 1 1    5   13    0 o  145.887   16.442  270.230   58.854  270.230   58.854   0.0000   0.0000  145.887   16.442  ?   ?  0.000000 16.44163 
1 1 1    5   13    1 o  338.235   17.088  1438.86  143.866  1474.65  203.071  1402.80  203.846  341.244   23.983  332.638   24.717 8.606110 34.43977 
1 1 1    5   13    2 o  527.143   23.992  3503.09  315.828  3477.84  446.152  3528.45  447.146  521.532   34.451  525.394   34.269 -3.861450 48.59249 
1 1 1    5   13    3 o  320.595   16.515  1292.65  131.767  1366.62  186.044  1218.20  186.651  328.612   22.813  309.873   24.316 18.73950 33.34229 
1 1 1    5   13    4 o  325.075   16.631  1329.18  134.556  1405.87  190.081  1252.15  190.502  333.261   22.981  314.129   24.478 19.13266 33.57545 
1 1 1    5   13    5 o  521.003   34.257  3472.32  443.212   0.0000   0.0000  3472.32  443.212  ?   ?   521.003   34.257 0.000000 34.25695 
1 1 1    5   13    6 o  348.353   17.325  1523.03  150.712  1610.87  212.978  1434.92  213.302  356.620   24.056  336.161   25.602 20.45895 35.13053 
1 1 1    5   13    7 o  478.455   22.007  2881.82  262.941  2799.01  371.422  2965.02  372.288  468.388   31.946  482.411   31.069 -14.02240 44.56238 
1 1 1    5   13    8 o  365.138   17.887  1673.51  163.094  1709.93  230.390  1636.92  230.911  367.288   25.273  359.187   25.918 8.101379 36.20042 
1 1 1    5   13    9 o  475.581   21.895  2845.69  260.025  2781.42  367.307  2910.26  368.155  467.223   31.668  478.168   30.999 -10.94498 44.31501 
1 1 1    5   13   10 o  674.688   43.225  5868.90  724.428  5868.90  724.428   0.0000   0.0000  674.688   43.225  ?   ?  0.000000 43.22467 
1 1 1    5   13   11 o  929.671   40.622 11054.73  943.075 10930.06  1333.25 11179.57  1334.17  910.919   58.927  921.831   58.257 -10.91248 82.86303 
1 1 1    5   13   12 o  307.879   16.013  1191.04  122.687  1334.07  173.391  1047.64  173.621  325.109   21.478  287.435   24.420 37.67331 32.52154 
1 1 1    5   13   13 o  327.036   13.433  1338.73  109.699  1362.62  134.262  1290.73  190.266  329.748   16.305  319.367   24.033 10.38147 29.04235 
1 1 1    5   13   14 o  837.415   29.643  8859.80  619.890  8733.74  758.998  9112.33  1074.27  828.864   36.670  837.950   51.590 -9.085999 63.29414 
1 1 1    5   13   15 o  378.634   18.190  1797.91  171.993  1728.10  243.011  1867.98  243.460  369.375   26.522  384.304   25.514 -14.92892 36.80196 
1 1 1    5   13   22 o  331.116   23.878  1391.46  196.113  1391.46  196.113   0.0000   0.0000  331.116   23.878  ?   ?  0.000000 23.87813 
1 1 1    5   13   23 o  433.929   16.437  2365.52  178.114  2484.06  218.342  2129.74  307.942  444.077   19.689  407.641   30.471 36.43591 36.27913 
1 1 1    5   13   24 o  558.590   20.483  3938.73  285.712  4071.78  350.142  3673.62  494.256  566.530   24.750  531.550   37.475 34.98022 44.91059 
1 1 1    5   13   25 o  507.706   18.970  3253.32  240.506  3282.70  294.685  3194.73  416.214  508.642   23.200  496.341   33.781 12.30124 40.98094 
1 1 1    5   13   26 o  289.051   12.264  1048.63   88.521  1096.82  108.635  953.419  152.708  295.279   14.733  273.045   22.599 22.23380 26.97765 
1 1 1    5   13   27 o   78.019   11.583   78.039   21.881   70.343   31.388   85.316   30.520   73.180   17.426   80.931   15.668 -7.750626 23.43355 
1 1 1    5   13   28 o  184.307   17.708  433.653   80.499   0.0000   0.0000  433.653   80.499  ?   ?   184.307   17.708 0.000000 17.70835 
1 1 1    5   13   29 o  416.669   20.206  2208.66  210.247  2208.66  210.247   0.0000   0.0000  416.669   20.206  ?   ?  0.000000 20.20636 
1 1 1    5   13   30 o  124.761   9.8703  196.469   30.500  165.651   37.826  253.741   51.565  113.891   13.567  141.046   14.864 -27.15430 20.12461 
1 1 1    5   13   31 o  253.197   11.662  805.945   73.736  698.406   90.486  1018.50  127.215  234.589   15.534  282.729   18.114 -48.14044 23.86253 
1 1 1    5   13   32 o   71.609   21.553   66.269   41.697   66.269   41.697   0.0000   0.0000   71.609   21.553  ?   ?  0.000000 21.55349 
1 1 1    5   13   33 o  229.500   11.783  664.194   67.303  599.622   82.993  788.237  115.028  217.253   15.397  248.298   18.689 -31.04443 24.21447 
1 1 1    5   13   34 o  563.227   21.112  4057.84  296.934  4125.65  364.225  3923.45  512.742  564.567   25.835  538.135   38.408 26.43201 46.28809 
1 1 1    5   13   35 o  382.746   15.549  1854.52  148.612  1861.13  182.672  1841.58  255.567  381.594   19.232  375.126   27.473 6.467773 33.53548 
1 1 1    5   13   36 o  235.175   11.598  696.200   68.112  696.508   84.662  695.635  114.678  234.252   14.545  232.454   19.949 1.797867 24.68823 
1 1 1    5   13   37 o  165.606   12.764  348.097   52.378  357.919   76.075  339.245   72.222  166.451   18.621  162.137   18.149 4.314316 26.00264 
1 1 1    5   13   38 o  322.715   14.242  1320.02  114.775  1260.53  141.719  1433.40  195.661  313.405   18.186  331.141   23.821 -17.73575 29.96927 
1 1 1    5   13   39 o  226.481   12.117  650.454   68.284  631.704   85.579  683.307  113.281  222.090   15.529  229.183   19.994 -7.092773 25.31571 
1 1 1    5   13   40 o  104.192   12.383  139.539   31.588  174.347   42.906   98.349   46.675  115.870   15.195   85.079   21.854 30.79096 26.61709 
1 1 1    5   13   41 o   48.884   19.666   16.451   36.797   16.451   36.797   0.0000   0.0000   48.884   19.666  ?   ?  0.000000 19.66572 
1 1 1    5   13   42 o  335.396   28.652  1581.07  237.674  1581.07  237.674   0.0000   0.0000  335.396   28.652  ?   ?  0.000000 28.65239 
1 1 1    5   13   43 o  240.296   12.475  741.921   74.599  791.846   95.006  661.648  120.469  246.391   15.520  220.288   22.202 26.10246 27.08916 
1 1 1    5   13   44 o  294.466   13.861  1122.60  101.923  1184.47  128.561  1017.91  167.231  299.124   17.285  268.841   25.204 30.28342 30.56145 
1 1 1    5   13   45 o   91.402   16.150  112.778   35.514  111.245   51.613  114.157   48.943   87.902   23.181   89.494   22.045 -1.591438 31.98952 
1 1 1    5   13   46 o   69.910   19.615   68.721   35.637   30.496   57.975   91.936   45.181   59.693   24.436   79.925   21.961 -20.23185 32.85424 
1 1 1    5   13   47 o  116.793   22.455  197.675   63.111   0.0000   0.0000  197.675   63.111  ?   ?   116.793   22.455 0.000000 22.45478 
1 1 1    5   14    0 o  185.080   12.532  430.701   57.579  454.555   80.809  406.100   82.063  189.590   17.257  178.909   18.642 10.68164 25.40348 
1 1 1    5   14    1 o  555.307   36.146  3944.18  498.505  3944.18  498.505   0.0000   0.0000  555.307   36.146  ?   ?  0.000000 36.14584 
1 1 1    5   14    2 o  370.158   25.995  1737.10  238.759   0.0000   0.0000  1737.10  238.759  ?   ?   370.158   25.995 0.000000 25.99466 
1 1 1    5   14    3 o  303.441   22.545  1165.13  169.616  1165.13  169.616   0.0000   0.0000  303.441   22.545  ?   ?  0.000000 22.54535 
1 1 1    5   14    4 o  247.390   14.118  769.048   86.856  794.817  122.374  742.889  123.298  250.773   19.700  242.255   20.576 8.518295 28.48620 
1 1 1    5   14    5 o  537.385   24.424  3639.84  327.758  3756.32  463.302  3523.14  463.737  542.402   34.383  524.812   35.595 17.59003 49.48959 
1 1 1    5   14    6 o  313.428   23.098  1243.44  179.510   0.0000   0.0000  1243.44  179.510  ?   ?   313.428   23.098 0.000000 23.09783 
1 1 1    5   14    7 o  378.320   18.337  1796.44  173.233  1803.24  244.661  1789.61  245.316  377.147   26.139  375.674   26.316 1.473755 37.09142 
1 1 1    5   14    8 o  388.945   18.652  1898.95  181.162  1863.79  255.705  1934.38  256.703  383.323   26.883  390.638   26.471 -7.314301 37.72845 
1 1 1    5   14    9 o  466.310   21.642  2734.13  252.012  2812.27  356.150  2655.78  356.649  470.367   30.485  456.773   31.459 13.59451 43.80667 
1 1 1    5   14   10 o  779.227   34.133  7711.18  664.179  7522.31  938.628  7900.59  939.956  761.071   49.660  780.760   48.449 -19.68927 69.37890 
1 1 1    5   14   11 o  1205.83   79.028 19838.00  2366.53 19838.00  2366.53   0.0000   0.0000  1205.83   79.028  ?   ?  0.000000 79.02835 
1 1 1    5   14   12 o  601.486   26.381  4561.29  396.254  4181.64  559.396  4943.63  561.384  571.241   39.457  622.522   36.269 -51.28046 53.59375 
1 1 1    5   14   13 o  238.127   13.528  712.069   80.110  690.089  112.652  734.557  113.945  233.686   19.482  241.205   19.073 -7.518875 27.26383 
1 1 1    5   14   14 o  490.101   18.220  3012.66  222.989  3200.40  273.182  2637.81  386.011  504.670   21.677  454.792   34.240 49.87790 40.52481 
1 1 1    5   14   15 o  236.011   10.850  696.594   63.944  678.550   78.084  733.329  111.413  232.442   13.511  241.067   18.653 -8.624588 23.03176 
1 1 1    5   14   16 o  132.691   10.629  221.589   34.923  221.589   34.923   0.0000   0.0000  132.691   10.629  ?   ?  0.000000 10.62858 
1 1 1    5   14   24 o  582.287   38.296  4419.33  553.742  4419.33  553.742   0.0000   0.0000  582.287   38.296  ?   ?  0.000000 38.29567 
1 1 1    5   14   25 o  426.502   16.442  2290.42  175.112  2268.85  214.554  2333.46  303.057  423.564   20.285  425.986   28.656 -2.422180 35.10865 
1 1 1    5   14   26 o  155.478   9.6617  303.986   37.327  284.610   46.020  341.242   63.815  150.065   12.391  163.855   15.791 -13.78938 20.07284 
1 1 1    5   14   27 o  147.977   9.6860  275.590   35.595  233.571   43.925  355.962   60.749  135.686   13.128  167.503   14.671 -31.81741 19.68692 
1 1 1    5   14   28 o  128.366   9.4097  207.633   29.953  180.874   37.141  257.410   50.657  119.284   12.662  142.219   14.465 -22.93482 19.22416 
1 1 1    5   14   29 o  238.958   13.818  721.639   82.105  640.424  116.080  802.949  116.148  223.247   21.071  250.899   18.672 -27.65210 28.15350 
1 1 1    5   14   30 o  240.647   10.507  726.966   63.139  795.872   77.897  594.987  107.806  251.529   12.402  215.245   20.296 36.28354 23.78529 
1 1 1    5   14   31 o  299.972   12.647  1132.61   94.740  1075.85  116.345  1244.31  163.222  291.220   16.060  311.529   21.106 -20.30841 26.52154 
1 1 1    5   14   32 o  197.434   10.960  491.224   53.821  489.428   66.511  494.632   91.606  196.579   13.633  196.359   18.916 0.2196350 23.31690 
1 1 1    5   14   33 f  281.814   22.716  1024.84  158.505  1024.84  158.505   0.0000   0.0000  281.814   22.716  ?   ?  0.000000 22.71608 
1 1 1    5   14   34 f  438.058   16.953  2433.80  185.447  2476.62  227.727  2349.49  319.525  440.212   20.716  422.198   30.512 18.01459 36.87999 
1 1 1    5   14   35 o  387.102   15.840  1897.88  153.117  1846.22  188.160  1999.15  263.448  379.757   19.911  391.151   27.139 -11.39429 33.65950 
1 1 1    5   14   36 o  173.975   10.772  381.987   46.567  355.499   58.816  426.483   76.232  167.135   14.227  182.506   16.919 -15.37045 22.10607 
1 1 1    5   14   37 o   97.814   12.202  122.434   29.156  115.876   38.814  130.927   44.170   94.044   17.160   99.816   18.398 -5.772537 25.15879 
1 1 1    5   14   38 o  133.061   13.054  225.894   42.818  116.726   61.756  326.956   59.419   92.965   25.728  159.820   15.066 -66.85406 29.81507 
1 1 1    5   14   39 o  153.442   11.362  298.799   43.226  274.208   56.208  334.394   67.623  145.878   15.676  160.808   17.102 -14.92996 23.19948 
1 1 1    5   14   40 o   83.595   13.719   91.104   27.645   88.911   38.424   93.458   39.805   81.318   19.225   83.342   19.476 -2.024025 27.36645 
1 1 1    5   14   41 o  126.136   12.061  203.877   37.528  200.481   50.146  208.201   56.581  123.665   16.662  125.342   18.645 -1.677452 25.00515 
1 1 1    5   14   42 o  279.742   12.866  1000.24   89.876  1041.63  113.093  929.289  148.066  283.251   16.055  262.438   22.820 20.81253 27.90209 
1 1 1    5   14   43 o  140.044   29.855  288.420  101.216  288.420  101.216   0.0000   0.0000  140.044   29.855  ?   ?  0.000000 29.85452 
1 1 1    5   14   44 o  101.136   14.361  134.946   35.250  121.400   49.726  148.629   49.978   92.893   21.809  103.848   19.997 -10.95545 29.58976 
1 1 1    5   14   45 o  157.419   12.557  321.311   48.952  343.690   66.673  295.139   72.101  160.517   16.887  146.647   20.227 13.87006 26.34948 
1 1 1    5   14   46 o   69.736   21.388   68.342   40.790 -48.1026  105.143   88.973   44.257   60.937   28.376   78.826   21.766 -17.88877 35.76242 
1 1 1    5   15    0 o  157.560   12.038  312.480   47.005  324.042   65.389  300.118   67.617  159.896   16.619  153.613   17.966 6.283264 24.47418 
1 1 1    5   15    1 o  372.916   26.187  1763.36  242.317   0.0000   0.0000  1763.36  242.317  ?   ?   372.916   26.187 0.000000 26.18690 
1 1 1    5   15    2 o  565.386   36.724  4090.80  515.693  4090.80  515.693   0.0000   0.0000  565.386   36.724  ?   ?  0.000000 36.72449 
1 1 1    5   15    3 o  505.946   23.232  3222.84  293.527  3302.03  414.621  3143.27  415.602  509.039   32.792  496.308   33.734 12.73099 47.04526 
1 1 1    5   15    4 o  794.726   34.112  8027.21  676.985  7212.64  955.666  8847.73  959.145  743.257   51.813  826.880   46.641 -83.62347 69.71371 
1 1 1    5   15    5 o  319.509   15.914  1279.58  126.973  1165.70  178.774  1395.50  180.371  303.331   23.792  332.399   21.852 -29.06802 32.30414 
1 1 1    5   15    6 o  493.871   22.064  3067.94  272.110  2746.02  383.800  3393.32  385.852  463.926   33.351  516.955   30.019 -53.02917 44.87130 
1 1 1    5   15    7 f  398.520   18.096  1992.76  180.087  1708.59  253.342  2283.02  256.042  366.761   27.870  425.061   24.222 -58.30008 36.92471 
1 1 1    5   15    8 f  644.153   41.388  5332.89  662.223   0.0000   0.0000  5332.89  662.223  ?   ?   644.153   41.388 0.000000 41.38754 
1 1 1    5   15    9 o  353.438   17.058  1566.38  150.558  1443.69  212.185  1690.80  213.663  337.522   25.360  365.771   23.517 -28.24829 34.58569 
1 1 1    5   15   10 o  317.714   16.174  1268.38  127.896  1239.30  180.195  1297.89  181.555  312.988   23.221  320.408   22.841 -7.419647 32.57127 
1 1 1    5   15   11 o  215.979   12.684  585.766   68.108  536.185   95.469  637.155   97.194  205.869   18.777  224.741   17.455 -18.87263 25.63711 
1 1 1    5   15   12 o  1019.87   65.473 13816.07  1658.66 13816.07  1658.66   0.0000   0.0000  1019.87   65.473  ?   ?  0.000000 65.47275 
1 1 1    5   15   13 o  797.007   34.900  8066.44  694.604  7987.38  981.738  8145.69  982.899  784.570   50.375  792.607   49.914 -8.037292 70.91592 
1 1 1    5   15   14 o  610.806   27.169  4706.30  414.401  5092.21  586.208  4320.81  585.896  631.462   37.341  580.269   40.691 51.19257 55.22780 
1 1 1    5   15   15 o  139.378   8.6976  243.754   30.121  324.209   42.097  159.352   43.117  160.669   10.551  111.663   15.913 49.00655 19.09290 
1 1 1    5   15   16 o  300.638   9.9390  1130.12   74.617  898.685  105.016  1366.09  106.041  267.343   15.800  330.382   12.853 -63.03851 20.36795 
1 1 1    5   15   17 o  432.530   29.086  2375.28  312.329   0.0000   0.0000  2375.28  312.329  ?   ?   432.530   29.086 0.000000 29.08558 
1 1 1    5   15   27 o  554.905   25.407  3946.62  352.071   0.0000   0.0000  3946.62  352.071  ?   ?   554.905   25.407 0.000000 25.40746 
1 1 1    5   15   28 o  432.421   20.383  2378.01  220.104  2378.01  220.104   0.0000   0.0000  432.421   20.383  ?   ?  0.000000 20.38309 
1 1 1    5   15   29 o  148.960   9.4147  279.309   34.841  262.907   43.167  309.961   59.012  144.111   12.107  155.965   15.351 -11.85423 19.55076 
1 1 1    5   15   30 o  374.602   14.670  1770.69  137.232  1808.02  168.400  1696.92  236.776  377.575   17.860  361.630   26.402 15.94495 31.87553 
1 1 1    5   15   31 o  314.419   16.306  1254.28  127.587  1162.97  180.410  1345.63  180.459  299.819   24.305  323.428   22.483 -23.60858 33.10965 
1 1 1    5   15   32 o  192.903   9.9928  468.280   47.972  495.453   59.579  418.189   80.891  198.082   12.103  180.591   18.185 17.49045 21.84389 
1 1 1    5   15   33 o  382.342   15.513  1848.73  148.117  1799.60  181.783  1945.77  255.488  375.394   19.458  386.697   26.620 -11.30322 32.97330 
1 1 1    5   15   34 f  303.280   13.492  1159.95  102.181  1084.75  125.681  1306.60  175.499  291.860   17.322  318.484   22.206 -26.62411 28.16256 
1 1 1    5   15   35 o  262.555   22.420  891.364  145.587  891.364  145.587   0.0000   0.0000  262.555   22.420  ?   ?  0.000000 22.41996 
1 1 1    5   15   36 o  270.379   12.411  921.267   83.799  916.955  103.768  929.353  142.084  268.617   15.536  268.365   21.379 0.2518921 26.42771 
1 1 1    5   15   37 o  295.617   12.963  1103.11   95.698  1016.97  118.409  1265.35  162.500  282.305   16.874  313.273   20.892 -30.96811 26.85496 
1 1 1    5   15   38 o  368.724   15.527  1727.46  142.972  1695.96  176.250  1788.08  244.485  363.053   19.512  368.080   26.782 -5.027344 33.13626 
1 1 1    5   15   39 o  140.958   11.236  252.282   39.222  217.974   51.093  301.509   61.202  129.778   16.112  152.880   16.282 -23.10173 22.90612 
1 1 1    5   15   40 o  115.478   13.235  171.507   37.476  160.072   55.079  181.363   51.138  109.218   20.957  117.405   18.018 -8.187119 27.63775 
1 1 1    5   15   41 o  213.533   12.318  581.370   65.403  566.254   83.187  605.841  105.840  209.230   16.044  214.454   19.994 -5.223602 25.63518 
1 1 1    5   15   42 o  143.234   11.610  262.614   41.171  311.106   55.349  202.549   61.600  154.974   14.470  122.248   20.931 32.72583 25.44582 
1 1 1    5   15   43 o   62.361   17.016   52.528   27.237   70.813   40.542   37.487   36.770   71.868   21.164   56.519   20.373 15.34872 29.37654 
1 1 1    5   15   44 o   65.437   17.228   58.403   28.539   52.606   42.615   63.118   38.428   63.863   22.023   67.931   20.747 -4.068043 30.25662 
1 1 1    5   15   45 o   81.888   32.492   82.990   99.054   82.990   99.054   0.0000   0.0000   81.888   32.492  ?   ?  0.000000 32.49162 
1 1 1    5   15   46 o   88.216   22.399  111.981   49.434   0.0000   0.0000  111.981   49.434  ?   ?    88.216   22.399 0.000000 22.39942 
1 1 1    5   16    0 o  135.068   11.851  230.072   39.569  229.432   54.377  230.793   57.689  134.239   16.573  134.476   17.602 -0.2366943 24.17595 
1 1 1    5   16    1 o  614.454   27.157  4771.51  416.699  4484.59  588.074  5060.83  590.536  590.255   40.135  628.218   37.819 -37.96216 55.14676 
1 1 1    5   16    2 o  341.693   16.759  1464.40  143.000  1358.63  201.091  1572.60  203.394  327.340   24.784  352.616   23.229 -25.27606 33.96808 
1 1 1    5   16    3 o  449.815   20.498  2543.15  230.251  2314.99  324.454  2774.62  326.807  426.369   30.678  467.669   28.114 -41.30017 41.61193 
1 1 1    5   16    4 o  280.484   21.451  995.002  149.111  995.002  149.111   0.0000   0.0000  280.484   21.451  ?   ?  0.000000 21.45135 
1 1 1    5   16    5 o  345.641   16.450  1497.90  141.984  1290.20  199.734  1710.08  201.876  318.911   25.288  368.054   22.066 -49.14261 33.56166 
1 1 1    5   16    6 o  354.294   17.106  1574.29  151.344  1444.46  213.171  1706.24  214.906  337.528   25.479  367.379   23.549 -29.85104 34.69490 
1 1 1    5   16    7 o  459.392   20.435  2651.66  234.424  2294.66  330.304  3014.00  332.762  424.441   31.386  487.806   27.428 -63.36557 41.68221 
1 1 1    5   16    8 f  315.378   15.141  1246.15  119.243  1032.13  167.561  1465.74  169.730  285.353   23.730  341.027   20.018 -55.67422 31.04579 
1 1 1    5   16    9 o  528.343   34.610  3561.51  454.112   0.0000   0.0000  3561.51  454.112  ?   ?   528.343   34.610 0.000000 34.61014 
1 1 1    5   16   10 o  1034.35   45.144 13758.05  1166.06 13411.55  1648.10 14105.33  1650.00  1002.90   66.180  1030.27   64.458 -27.36957 92.38274 
1 1 1    5   16   11 o  127.120   10.837  203.576   34.072  184.569   46.906  224.807   49.575  120.311   16.010  133.104   15.187 -12.79281 22.06735 
1 1 1    5   16   12 o  368.940   17.755  1707.32  163.580  1633.55  230.574  1782.07  232.107  359.060   25.889  375.303   24.907 -16.24298 35.92532 
1 1 1    5   16   13 o  181.731   12.375  415.182   55.826  431.875   77.912  397.568   80.031  184.813   17.075  177.071   18.366 7.742126 25.07740 
1 1 1    5   16   14 o   97.950   9.2455  121.007   22.347  128.454   36.039  116.355   28.484  100.192   14.854   95.661   12.202 4.530983 19.22312 
1 1 1    5   16   15 o  506.858   18.658  3224.25  236.152  3016.56  408.090  3328.81  289.560  486.306   33.815  514.405   22.541 -28.09940 40.63931 
1 1 1    5   16   16 o  294.220   11.854  1083.16   87.097  976.899  149.887  1137.33  107.020  277.880   21.774  301.347   14.222 -23.46658 26.00718 
1 1 1    5   16   17 o  865.495   30.554  9490.78  660.359  8843.59  1142.73  9815.26  809.141  819.801   56.158  877.232   36.937 -57.43030 67.21624 
1 1 1    5   16   29 o  263.381   11.400  871.557   74.977  1038.49  130.777  789.824   91.509  285.504   18.442  249.786   14.736 35.71777 23.60579 
1 1 1    5   16   30 o  223.340   9.1334  625.404   50.939  665.249   72.765  587.111   71.333  229.548   12.744  215.490   13.321 14.05840 18.43552 
1 1 1    5   16   31 o  202.398   8.7827  513.519   44.390  534.092   63.724  494.125   61.871  205.631   12.469  197.736   12.596 7.895767 17.72327 
1 1 1    5   16   32 o  169.684   8.6532  361.851   36.545  328.640   52.840  392.302   50.597  160.960   13.264  176.265   11.559 -15.30460 17.59392 
1 1 1    5   16   33 o  301.495   15.942  1153.56  119.598  1085.49  169.238  1221.46  169.036  289.665   23.602  308.009   22.124 -18.34451 32.34995 
1 1 1    5   16   34 o   82.271   10.772   86.477   21.599   69.895   28.262  109.760   33.489   72.924   15.963   92.023   15.097 -19.09874 21.97084 
1 1 1    5   16   35 o  332.701   14.528  1398.91  120.702  1283.47  148.317  1625.28  207.703  316.863   18.829  354.426   23.602 -37.56293 30.19286 
1 1 1    5   16   36 o  136.023   10.109  233.707   34.093  243.529   43.662  218.365   54.570  138.403   12.777  130.009   17.233 8.393814 21.45350 
1 1 1    5   16   37 o  474.668   33.865  3036.11  398.777  3036.11  398.777   0.0000   0.0000  474.668   33.865  ?   ?  0.000000 33.86486 
1 1 1    5   16   38 o  359.356   14.942  1638.74  134.083  1636.80  165.429  1642.45  228.921  357.116   18.615  353.141   26.145 3.974915 32.09451 
1 1 1    5   16   39 o  101.747   11.753  132.447   29.312  131.081   39.233  134.173   44.098  100.153   16.243  100.835   18.182 -0.6819687 24.38085 
1 1 1    5   16   40 o  226.813   12.135  653.535   68.483  644.778   86.294  668.433  112.556  224.073   15.517  226.057   20.150 -1.984375 25.43265 
1 1 1    5   16   41 o  177.570   11.847  401.877   52.232  375.028   67.225  442.774   82.968  170.078   16.017  183.922   18.308 -13.84396 24.32522 
1 1 1    5   16   42 o  105.087   13.746  143.690   35.207  148.119   51.803  139.888   47.996  104.314   20.617  101.675   19.614 2.639549 28.45680 
1 1 1    5   16   43 o  242.210   12.712  753.488   76.621  763.989   97.499  736.531  123.902  241.792   16.242  233.565   21.484 8.226486 26.93261 
1 1 1    5   16   44 o  157.762   12.270  321.038   47.957  321.455   64.401  320.520   71.852  155.721   16.829  154.268   19.057 1.453232 25.42374 
1 1 1    5   16   45 o  145.523   12.798  274.965   46.036  261.790   62.975  290.088   67.467  139.093   18.596  146.330   18.905 -7.236755 26.51830 
1 1 1    5   16   46 o   57.309   21.089   39.137   39.693   0.0000   0.0000   39.137   39.693  ?   ?    57.309   21.089 0.000000 21.08924 
1 1 1    5   17    0 f  453.234   30.624  2621.92  344.573   0.0000   0.0000  2621.92  344.573  ?   ?   453.234   30.624 0.000000 30.62410 
1 1 1    5   17    1 o  736.598   47.392  7076.63  867.118  7076.63  867.118   0.0000   0.0000  736.598   47.392  ?   ?  0.000000 47.39238 
1 1 1    5   17    2 o  569.903   25.564  4101.75  363.815  3961.43  513.556  4243.12  515.474  555.399   37.244  575.379   36.058 -19.97968 51.83903 
1 1 1    5   17    3 f  213.981   12.978  575.430   69.018  540.418   96.229  612.521   99.044  206.575   18.862  220.132   18.180 -13.55635 26.19748 
1 1 1    5   17    4 o  365.328   17.742  1675.13  161.858  1610.44  228.002  1740.85  229.813  356.273   25.802  370.669   24.973 -14.39548 35.90842 
1 1 1    5   17    5 o  656.678   42.210  5560.96  688.518  5560.96  688.518   0.0000   0.0000  656.678   42.210  ?   ?  0.000000 42.21035 
1 1 1    5   17    6 o  302.539   15.808  1150.50  119.012  1143.30  167.288  1157.88  169.348  300.573   22.450  302.469   22.584 -1.895996 31.84344 
1 1 1    5   17    7 o  277.901   14.992  970.488  103.653  966.159  145.719  974.922  147.473  276.385   21.277  277.615   21.439 -1.230194 30.20436 
1 1 1    5   17    8 o  328.006   16.386  1348.96  134.214  1295.92  188.959  1402.97  190.668  319.888   23.826  333.050   23.067 -13.16180 33.16264 
1 1 1    5   17    9 o  613.369   26.731  4749.39  409.437  4287.32  577.760  5215.54  580.312  577.463   40.319  638.768   36.532 -61.30518 54.40763 
1 1 1    5   17   10 o  405.748   27.828  2089.43  280.255   0.0000   0.0000  2089.43  280.255  ?   ?   405.748   27.828 0.000000 27.82776 
1 1 1    5   17   11 o  885.401   36.066  9983.13  797.432  8183.00  1124.02 11807.31  1131.50  788.057   57.514  956.142   47.389 -168.0844 74.52254 
1 1 1    5   17   12 o   72.453   10.947   67.138   19.189   86.907   28.743   51.242   25.774   82.084   14.555   62.775   16.298 19.30920 21.85127 
1 1 1    5   17   13 o  240.854   11.956  725.915   71.910  886.978  123.229  642.748   88.550  265.162   18.731  225.907   15.796 39.25566 24.50219 
1 1 1    5   17   14 f  371.569   12.899  1728.33  119.685  1233.99  205.233  1983.08  147.331  311.551   26.636  397.846   14.830 -86.29517 30.48557 
1 1 1    5   17   15 o  498.771   22.091  3130.34  275.153  2793.74  388.091  3470.56  390.167  467.736   33.447  522.646   30.021 -54.91000 44.94367 
1 1 1    5   17   16 o  114.592   8.8977  165.160   25.262  162.285   41.654  166.832   31.771  112.790   15.174  114.930   11.213 -2.139908 18.86734 
1 1 1    5   17   17 f  197.981   10.117  491.547   49.849  477.837   85.607  498.581   61.317  194.288   17.844  199.183   12.389 -4.894318 21.72316 
1 1 1    5   17   18 o  221.275   10.478  612.579   57.899  576.806   99.843  630.704   71.069  213.409   18.932  224.056   12.755 -10.64735 22.82742 
1 1 1    5   17   32 o   57.979   9.2984   43.212   13.008   35.716   21.464   47.562   16.352   52.657   15.369   60.567   11.225 -7.909199 19.03157 
1 1 1    5   17   33 o  377.937   12.854  1799.49  121.317  1810.70  172.286  1788.47  170.859  377.395   18.281  375.085   18.241 2.309753 25.82535 
1 1 1    5   17   34 o  133.404   8.6874  224.083   28.783  181.474   42.610  259.841   39.035  118.980   14.651  143.362   10.987 -24.38177 18.31285 
1 1 1    5   17   35 o  396.349   19.318  2004.14  191.200  1967.89  270.623  2040.28  270.174  387.250   28.178  394.736   27.582 -7.485809 39.43053 
1 1 1    5   17   36 o  207.785   8.4726  541.448   43.963  651.842   65.023  448.491   59.667  227.285   11.494  188.166   12.774 39.11876 17.18355 
1 1 1    5   17   37 o  364.958   12.783  1681.04  116.496  1706.91  166.398  1656.17  163.150  365.744   18.219  359.841   18.216 5.902802 25.76303 
1 1 1    5   17   38 o  124.007   8.9433  194.124   27.509  174.945   43.447  206.957   35.540  116.418   15.317  127.666   11.263 -11.24775 19.01203 
1 1 1    5   17   39 o   86.554   28.144   98.351   69.692   98.351   69.692   0.0000   0.0000   86.554   28.144  ?   ?  0.000000 28.14405 
1 1 1    5   17   40 o  227.581   11.702  657.203   66.277  680.663   83.632  617.593  108.672  230.604   14.598  217.152   20.275 13.45111 24.98339 
1 1 1    5   17   41 o   57.211   15.570   43.414   22.838   44.883   32.009   41.890   32.594   59.208   19.057   57.874   19.268 1.334503 27.10052 
1 1 1    5   17   42 o  191.094   11.772  466.344   55.900  469.215   71.954  461.973   88.780  190.252   15.274  186.749   19.317 3.503616 24.62573 
1 1 1    5   17   43 o   76.431   14.916   77.895   27.448   89.224   38.493   66.176   39.149   80.633   19.361   69.722   20.862 10.91135 28.46172 
1 1 1    5   17   44 o  109.725   13.965  157.831   37.398  203.731   55.294  119.130   50.773  122.826   18.611   91.936   22.336 30.88970 29.07309 
1 1 1    5   17   45 o  121.108   19.957  201.504   58.254   0.0000   0.0000  201.504   58.254  ?   ?   121.108   19.957 0.000000 19.95740 
1 1 1    5   18    0 o  182.640   17.655  423.250   79.518  423.250   79.518   0.0000   0.0000  182.640   17.655  ?   ?  0.000000 17.65510 
1 1 1    5   18    1 o  123.400   11.770  192.408   35.831  183.196   48.232  203.754   53.526  119.663   16.587  126.167   17.457 -6.503906 24.08035 
1 1 1    5   18    2 o  515.335   34.135  3406.82  436.793   0.0000   0.0000  3406.82  436.793  ?   ?   515.335   34.135 0.000000 34.13513 
1 1 1    5   18    3 o  579.039   26.059  4240.64  376.801  4181.85  532.045  4299.79  533.713  569.949   37.593  578.158   37.164 -8.208740 52.86180 
1 1 1    5   18    4 o  202.901   13.351  517.929   67.269  583.460   93.962  449.024   96.350  214.839   17.671  187.751   20.905 27.08789 27.37302 
1 1 1    5   18    5 o  235.316   13.370  695.819   78.242  634.966  109.215  759.982  112.145  223.880   19.737  245.286   18.444 -21.40686 27.01328 
1 1 1    5   18    6 o  506.879   33.394  3283.73  420.324  3283.73  420.324   0.0000   0.0000  506.879   33.394  ?   ?  0.000000 33.39400 
1 1 1    5   18    7 o  486.582   22.298  2981.41  270.945  2901.52  382.323  3062.01  384.031  476.778   32.302  490.085   31.547 -13.30750 45.15144 
1 1 1    5   18    8 o  340.607   17.258  1459.50  146.311  1510.09  206.167  1408.17  207.671  345.270   24.062  333.134   25.149 12.13562 34.80589 
1 1 1    5   18    9 o  598.963   26.654  4532.66  398.667  4358.57  562.848  4707.92  564.757  582.286   38.933  605.878   37.512 -23.59210 54.06366 
1 1 1    5   18   10 o  419.801   18.946  2213.57  198.611  1922.01  279.627  2510.41  282.147  388.593   29.026  445.293   25.479 -56.70087 38.62218 
1 1 1    5   18   11 o  434.224   29.392  2398.44  316.835   0.0000   0.0000  2398.44  316.835  ?   ?   434.224   29.392 0.000000 29.39227 
1 1 1    5   18   12 o  313.146   12.497  1227.56   97.721  1061.36  167.097  1313.95  120.470  289.333   23.325  323.800   14.899 -34.46707 27.67738 
1 1 1    5   18   13 o  595.422   21.344  4460.60  317.355  4284.49  548.220  4549.35  389.196  577.545   38.228  600.221   25.966 -22.67578 46.21276 
1 1 1    5   18   14 o  469.032   17.453  2761.16  204.421  2588.19  352.802  2848.59  250.815  450.401   31.567  475.826   21.108 -25.42535 37.97424 
1 1 1    5   18   15 o  119.716   7.8946  179.921   23.469  109.215   37.011  227.468   30.351   91.886   16.747  134.570   9.0848 -42.68430 19.05243 
1 1 1    5   18   16 o  367.402   18.045  1695.49  165.557  1759.92  233.703  1630.58  234.565  372.427   25.279  358.151   26.413 14.27554 36.56041 
1 1 1    5   18   17 o  775.857   27.605  7626.98  534.826  7149.08  925.279  7866.75  655.404  737.151   50.571  785.300   33.421 -48.14899 60.61671 
1 1 1    5   18   18 o  244.869   10.661  750.435   65.193  582.833  112.174  835.920   80.112  214.025   21.270  258.332   12.418 -44.30693 24.62988 
1 1 1    5   18   19 o  483.612   22.106  2952.21  266.970  2792.12  377.019  3113.21  378.087  466.312   32.582  493.197   30.854 -26.88501 44.87237 
1 1 1    5   18   34 o  275.924   10.679  956.773   73.584  833.767  104.570  1077.42  103.563  255.945   16.448  292.082   14.199 -36.13766 21.72888 
1 1 1    5   18   35 o   97.556   8.1729  120.129   19.727  150.906   31.710  100.697   25.196  108.857   11.857   88.706   11.657 20.15116 16.62723 
1 1 1    5   18   36 o  278.500   9.9150  974.358   68.956  1096.11   99.466  861.693   95.680  294.621   13.519  260.541   14.767 34.07932 20.02081 
1 1 1    5   18   37 o  131.893   12.180  221.175   39.663  210.748   57.734  230.494   54.582  127.163   18.743  133.638   16.722 -6.474915 25.11814 
1 1 1    5   18   38 o  115.513   9.3980  168.796   26.874  112.571   42.147  207.317   34.886   92.129   18.952  127.811   11.039 -35.68153 21.93266 
1 1 1    5   18   39 o  369.637   12.733  1729.95  117.536  1774.93  168.304  1687.14  164.214  371.774   18.129  361.997   18.224 9.777222 25.70539 
1 1 1    5   18   40 o  188.644   9.3735  448.289   44.157  442.155   66.948  453.012   58.747  185.665   14.556  188.583   12.546 -2.917191 19.21705 
1 1 1    5   18   41 o  203.173   14.743  531.253   74.292  497.140  118.588  553.290   95.313  191.020   25.497  205.499   18.781 -14.47856 31.66749 
1 1 1    5   18   42 o   95.408   10.270  116.592   24.082  107.766   41.178  121.180   29.689   89.142   19.075   96.696   12.594 -7.554337 22.85727 
1 1 1    5   18   43 o  101.860   10.276  133.009   25.781  122.638   44.350  138.303   31.685   94.783   19.391  103.247   12.547 -8.464302 23.09668 
1 1 1    5   18   44 o  166.520   9.5262  352.995   39.448  418.820   63.944  312.549   50.124  179.299   14.403  155.345   13.042 23.95454 19.43003 
1 1 1    5   18   45 o   62.926   14.676   53.476   22.638   0.0000   0.0000   53.476   22.638  ?   ?    62.926   14.676 0.000000 14.67580 
1 1 1    5   19    0 o  506.270   22.751  3246.79  287.631  2966.84  405.121  3531.34  408.444  478.600   34.120  523.761   31.373 -45.16095 46.35146 
1 1 1    5   19    1 o  299.837   14.955  1129.02  111.973  971.509  156.459  1294.39  160.319  276.162   22.894  319.675   20.186 -43.51273 30.52255 
1 1 1    5   19    2 o  242.124   14.398  738.184   86.664  802.142  121.254  671.393  123.911  251.590   19.451  229.565   21.880 22.02496 29.27560 
1 1 1    5   19    3 o  710.361   46.234  6628.69  815.683   0.0000   0.0000  6628.69  815.683  ?   ?   710.361   46.234 0.000000 46.23425 
1 1 1    5   19    4 o  353.542   16.788  1570.08  148.212  1374.95  208.132  1770.84  211.108  328.593   25.566  373.865   22.720 -45.27206 34.20230 
1 1 1    5   19    5 o  423.706   19.768  2259.63  209.161  2133.87  294.618  2387.43  296.993  408.883   29.043  433.045   27.608 -24.16220 40.07109 
1 1 1    5   19    6 o  436.019   20.478  2393.60  222.967  2364.88  314.410  2422.65  316.245  430.552   29.419  435.860   29.225 -5.308502 41.46747 
1 1 1    5   19    7 o  164.822   12.378  342.110   50.573  364.793   69.609  316.752   73.599  169.670   16.643  157.591   19.092 12.07919 25.32773 
1 1 1    5   19    8 o  245.808   19.883  764.964  121.004  764.964  121.004   0.0000   0.0000  245.808   19.883  ?   ?  0.000000 19.88324 
1 1 1    5   19    9 o  420.843   16.297  2222.44  171.264  2289.34  294.983  2188.42  210.347  424.190   28.005  417.054   20.197 7.136444 34.52852 
1 1 1    5   19   10 o  341.517   13.780  1461.45  117.517  1363.43  201.298  1512.13  144.742  327.669   24.784  347.100   16.699 -19.43027 29.88504 
1 1 1    5   19   11 o  256.498   11.443  823.472   73.296  753.177  124.071  861.157   90.842  243.796   20.572  261.778   13.947 -17.98207 24.85355 
1 1 1    5   19   12 o  200.257   10.397  503.083   51.816  466.500   86.488  523.567   64.717  191.838   18.275  204.066   12.764 -12.22874 22.29087 
1 1 1    5   19   13 o  341.450   11.713  1459.52   99.875  957.727  169.966  1724.17  123.434  274.208   25.100  370.976   13.324 -96.76816 28.41744 
1 1 1    5   19   14 o  312.217   12.034  1220.56   93.825  975.032  160.358  1348.37  115.695  277.013   23.400  327.982   14.126 -50.96805 27.33343 
1 1 1    5   19   15 o   81.243   9.1233   83.587   18.189   65.881   27.479   97.394   24.266   71.070   15.883   87.476   11.378 -16.40595 19.53809 
1 1 1    5   19   16 o  150.577   9.4828  284.757   35.475  282.668   59.447  285.912   44.210  149.182   16.219  150.637   11.848 -1.455338 20.08541 
1 1 1    5   19   17 o  516.137   23.605  3367.69  304.237  3433.07  430.161  3302.25  430.352  516.905   33.505  506.615   34.217 10.29016 47.88997 
1 1 1    5   19   18 o  206.257   10.556  533.971   54.189  500.601   93.355  550.927   66.548  198.485   19.069  209.262   12.796 -10.77695 22.96496 
1 1 1    5   19   19 o  747.438   26.686  7102.12  498.095  6743.08  861.937  7282.14  610.319  712.242   48.755  753.653   32.429 -41.41144 58.55491 
1 1 1    5   19   20 o  283.773   12.058  1009.48   85.448  923.758  147.264  1052.99  104.914  269.327   22.090  289.198   14.574 -19.87042 26.46507 
1 1 1    5   19   36 o   78.406   15.815   80.673   29.896   0.0000   0.0000   80.673   29.896  ?   ?    78.406   15.815 0.000000 15.81504 
1 1 1    5   19   37 o  204.900   9.1061  527.202   46.593  539.096   67.749  516.528   64.182  206.141   13.231  201.866   12.798 4.275040 18.40790 
1 1 1    5   19   38 f  202.766   9.2358  516.717   46.765  517.163   68.843  516.334   63.724  201.607   13.756  201.719   12.716 -0.1119843 18.73302 
1 1 1    5   19   39 o  196.764   13.405  493.277   65.471  420.132   93.786  562.809   91.440  178.704   21.444  208.735   17.710 -30.03062 27.81167 
1 1 1    5   19   40 o  200.665   9.2741  507.239   46.472  542.041   70.374  480.327   61.885  205.914   13.765  194.085   12.841 11.82944 18.82491 
1 1 1    5   19   41 o  234.670   10.316  696.438   60.450  644.448   89.158  740.673   82.240  223.191   16.105  240.460   13.753 -17.26854 21.17812 
1 1 1    5   19   42 o  150.327   9.0763  286.442   33.912  301.931   54.226  276.493   43.459  152.671   14.393  146.879   11.952 5.791946 18.70893 
1 1 1    5   19   43 o  154.484   14.721  310.930   56.101  264.105  102.111  331.176   67.143  133.112   31.253  158.275   17.268 -25.16339 35.70643 
1 1 1    5   19   44 o   48.479   15.441   30.300   21.056   69.659   83.236   27.610   21.764   77.050   30.022   47.048   15.746 30.00218 33.90051 
1 1 1    5   20    0 o   78.786   12.659   79.874   24.063   71.203   30.232   94.862   39.748   73.705   16.799   84.964   19.188 -11.25866 25.50268 
1 1 1    5   20    1 o  385.904   18.548  1880.24  178.739  1796.26  251.377  1966.11  254.196  373.940   27.104  391.676   26.139 -17.73663 37.65472 
1 1 1    5   20    2 o  215.387   12.656  584.023   67.771  498.609   93.572  678.259   98.286  197.842   19.181  231.431   17.128 -33.58900 25.71538 
1 1 1    5   20    3 o  216.811   13.070  591.858   70.435  550.977   97.707  636.088  101.629  208.171   19.005  223.924   18.335 -15.75279 26.40790 
1 1 1    5   20    4 o  191.880   18.731  468.268   88.605   0.0000   0.0000  468.268   88.605  ?   ?   191.880   18.731 0.000000 18.73059 
1 1 1    5   20    5 o  244.445   14.209  752.362   86.363  771.455  120.959  732.508  123.349  246.582   19.811  240.042   20.783 6.539764 28.71236 
1 1 1    5   20    6 o  172.934   10.972  375.985   47.138  420.917   76.191  348.120   60.000  182.209   16.939  165.915   14.631 16.29466 22.38302 
1 1 1    5   20    7 o  513.130   18.253  3312.99  233.894  2812.10  402.133  3569.08  287.533  466.902   34.739  531.763   21.653 -64.86157 40.93444 
1 1 1    5   20    8 o  255.271   12.297  816.403   78.387  883.091  132.708  780.668   97.144  263.963   20.288  248.867   15.712 15.09578 25.66077 
1 1 1    5   20    9 o  369.229   18.945  1720.17  174.092  1867.15  244.106  1568.02  248.355  383.090   25.665  350.092   28.659 32.99835 38.47141 
1 1 1    5   20   10 o  230.754   11.189  666.673   64.476  647.621  108.314  677.128   80.241  226.004   19.379  231.971   13.916 -5.966904 23.85841 
1 1 1    5   20   11 o  218.273   10.124  596.207   55.185  492.235   91.683  655.278   69.106  196.902   18.877  228.397   12.160 -31.49471 22.45502 
1 1 1    5   20   12 o  171.879   10.410  371.096   44.469  382.786   73.400  364.316   55.896  173.701   17.145  169.974   13.274 3.726822 21.68332 
1 1 1    5   20   13 o  163.850   10.577  337.441   43.046  385.831   71.198  309.563   54.041  174.484   16.538  156.500   13.975 17.98381 21.65183 
1 1 1    5   20   14 o  419.251   28.736  2246.24  299.038   0.0000   0.0000  2246.24  299.038  ?   ?   419.251   28.736 0.000000 28.73629 
1 1 1    5   20   15 o  405.802   14.455  2066.35  146.486  1592.53  251.659  2309.16  180.150  352.557   28.837  428.605   16.832 -76.04776 33.38985 
1 1 1    5   20   16 o  220.439   9.9006  608.208   54.501  477.141   92.086  678.871   67.615  193.659   19.299  232.785   11.631 -39.12672 22.53291 
1 1 1    5   20   17 o  615.790   22.437  4796.63  345.016  4972.78  597.392  4708.46  422.626  617.956   38.911  607.990   27.836 9.966309 47.84279 
1 1 1    5   20   18 o  174.141   11.997  381.921   51.854  401.879   73.327  361.955   73.339  177.959   16.695  168.638   17.678 9.321396 24.31565 
1 1 1    5   20   19 o  265.061   11.510  880.638   76.188  983.354  131.697  828.970   93.404  278.527   19.049  256.450   14.646 22.07651 24.02847 
1 1 1    5   20   20 o  475.133   17.603  2846.21  208.855  2581.42  360.998  2979.43  256.060  446.207   32.624  485.091   21.138 -38.88409 38.87364 
1 1 1    5   20   21 o  202.417   10.406  514.803   52.419  539.559   89.936  502.066   64.510  206.060   17.648  199.535   13.018 6.524994 21.93004 
1 1 1    5   20   39 o  204.289   10.425  527.613   53.006  585.226   94.848  501.448   63.920  212.651   18.031  198.471   12.968 14.17992 22.21015 
1 1 1    5   20   40 o   69.176   10.207   61.664   17.102   57.480   31.087   63.480   20.480   65.688   18.281   69.782   12.197 -4.093964 21.97623 
1 1 1    5   20   41 o  348.782   12.499  1548.32  108.863  1468.71  155.855  1624.17  152.124  335.333   18.686  354.229   17.197 -18.89612 25.39534 
1 1 1    5   20   42 o  139.885   12.803  252.023   44.226  212.677   64.847  286.241   60.473  124.950   21.562  147.646   16.695 -22.69637 27.26961 
1 1 1    5   20   43 o  113.198   9.3055  163.322   26.072  161.374   45.214  164.292   31.911  109.990   17.011  112.946   11.473 -2.955673 20.51827 
1 1 1    5   20   44 o   68.050   13.592   61.719   22.289   0.0000   0.0000   61.719   22.289  ?   ?    68.050   13.592 0.000000 13.59206 
1 1 1    5   21    0 o   44.199   14.222   23.956   17.829   12.882   20.951   53.032   33.948   39.305   15.132   64.374   19.464 -25.06873 24.65439 
1 1 1    5   21    1 o  174.011   17.370  386.412   74.468  386.412   74.468   0.0000   0.0000  174.011   17.370  ?   ?  0.000000 17.36953 
1 1 1    5   21    2 o  408.496   15.775  2103.24  160.921  2006.09  274.705  2153.99  198.555  394.048   28.101  412.441   19.278 -18.39291 34.07817 
1 1 1    5   21    3 o  158.066   9.6408  314.139   37.872  243.596   58.281  365.699   49.826  137.902   17.305  170.320   11.787 -32.41795 20.93826 
1 1 1    5   21    4 o  233.822   11.638  685.707   67.954  701.050  112.799  676.967   85.138  234.718   19.419  231.547   14.802 3.171143 24.41695 
1 1 1    5   21    5 o  171.969   12.066  372.733   51.488  343.198   70.912  405.666   74.880  164.087   17.580  178.657   16.989 -14.57030 24.44696 
1 1 1    5   21    6 o  290.305   13.057  1057.64   94.655  1141.41  160.358  1012.85  117.263  299.525   21.584  283.162   16.657 16.36279 27.26374 
1 1 1    5   21    7 o  351.639   13.581  1552.09  119.258  1320.76  202.769  1674.43  147.458  321.295   25.481  364.830   16.186 -43.53436 30.18736 
1 1 1    5   21    8 o  598.259   22.090  4529.73  330.011  4584.96  569.862  4501.87  404.797  592.602   38.721  594.326   27.275 -1.723938 47.36306 
1 1 1    5   21    9 o  279.965   12.344  982.715   86.301  946.439  146.202  1002.11  106.914  272.759   21.642  282.006   15.238 -9.247101 26.46901 
1 1 1    5   21   10 o  330.719   15.936  1374.97  131.608  1231.84  182.683  1529.40  189.762  310.897   23.709  347.063   22.009 -36.16678 32.35013 
1 1 1    5   21   11 o  300.204   13.718  1130.92  102.838  1342.70  176.111  1021.34  126.679  325.164   21.815  284.236   17.939 40.92896 28.24399 
1 1 1    5   21   12 o  290.264   12.668  1056.50   91.823  1054.67  156.611  1057.46  113.351  287.979   21.943  289.642   15.731 -1.662750 26.99881 
1 1 1    5   21   13 o  345.162   14.402  1495.87  124.134  1584.17  213.262  1450.63  152.661  352.576   24.372  338.884   18.105 13.69257 30.36061 
1 1 1    5   21   14 o  146.946   8.8553  271.168   32.343  198.667   52.092  316.649   41.259  124.483   17.218  158.667   10.472 -34.18468 20.15281 
1 1 1    5   21   15 o  510.012   34.061  3367.65  431.310   0.0000   0.0000  3367.65  431.310  ?   ?   510.012   34.061 0.000000 34.06146 
1 1 1    5   21   16 o   87.950   9.5447   97.970   20.626   96.236   32.291   99.165   26.808   86.188   15.577   88.043   12.548 -1.855453 20.00216 
1 1 1    5   21   17 o  171.105   10.317  368.063   43.875  512.948   74.934  292.483   54.122  201.448   15.003  151.895   14.442 49.55296 20.82501 
1 1 1    5   21   18 o   96.385   8.9874  117.300   21.382  101.535   36.203  125.746   26.498   88.307   17.035   99.585   10.830 -11.27856 20.18566 
1 1 1    5   21   19 o  382.088   18.490  1844.05  176.417  1939.15  249.645  1749.19  249.337  388.890   25.854  368.717   27.273 20.17282 37.57990 
1 1 1    5   21   20 o  291.635   12.379  1067.85   90.151  1420.16  156.447  892.711  110.306  334.606   18.800  265.536   16.720 69.07047 25.15941 
1 1 1    5   21   21 o  341.325   13.906  1465.58  118.524  1598.33  205.009  1398.93  145.260  353.332   23.367  332.289   17.568 21.04315 29.23437 
1 1 1    5   21   22 o  291.505   15.516  1074.56  112.543   0.0000   0.0000  1074.56  112.543  ?   ?   291.505   15.516 0.000000 15.51629 
1 1 1    5   21   42 o  146.537   11.798  275.303   42.806   0.0000   0.0000  275.303   42.806  ?   ?   146.537   11.798 0.000000 11.79789 
1 1 1    5   21   43 o   90.062   9.5480  103.927   21.146  100.684   37.822  105.402   25.505   85.991   18.181   90.172   11.595 -4.180588 21.56419 
1 1 1    5   22    0 o  269.640   12.444  915.763   83.791  923.236  139.113  911.509  104.969  267.849   20.966  267.866   15.762 -0.1705933E-01 26.22964 
1 1 1    5   22    1 o   91.210   11.603  106.250   25.830  114.355   35.907   97.558   37.184   93.840   15.890   86.142   17.872 7.697769 23.91431 
1 1 1    5   22    2 o  182.524   12.950  421.386   58.641  382.619   74.715  483.578   94.633  172.927   17.545  194.022   19.810 -21.09442 26.46207 
1 1 1    5   22    3 o   68.379   11.982   60.449   19.715   52.518   25.830   71.515   30.512   63.292   16.257   73.767   16.923 -10.47520 23.46684 
1 1 1    5   22    4 o  441.829   16.915  2466.62  186.631  2429.46  319.909  2485.79  229.786  432.218   29.822  442.201   20.809 -9.982971 36.36451 
1 1 1    5   22    5 f  429.536   15.115  2324.47  162.129  1843.47  276.426  2576.70  200.174  376.725   29.622  451.474   17.755 -74.74911 34.53606 
1 1 1    5   22    6 o  159.202   10.506  319.136   41.533  316.888   65.516  320.646   53.704  157.591   16.913  159.124   13.647 -1.532440 21.73196 
1 1 1    5   22    7 o  517.847   34.909  3508.36  448.795   0.0000   0.0000  3508.36  448.795  ?   ?   517.847   34.909 0.000000 34.90902 
1 1 1    5   22    8 o  243.597   11.858  744.520   72.135  764.096  120.740  733.655   89.953  244.924   19.913  241.004   15.021 3.920776 24.94360 
1 1 1    5   22    9 f  374.647   15.181  1766.16  142.028  1764.32  243.249  1767.11  174.946  370.678   26.452  373.520   18.816 -2.841858 32.46207 
1 1 1    5   22   10 o  415.552   16.372  2175.25  169.897  2202.81  292.087  2161.16  208.865  413.620   28.452  413.244   20.240 0.3756714 34.91641 
1 1 1    5   22   11 o  512.624   19.369  3321.42  247.945  3573.52  428.069  3194.14  304.163  524.880   32.824  500.959   24.314 23.92090 40.84816 
1 1 1    5   22   12 o  169.577   10.777  361.849   45.399  413.771   74.650  331.375   57.190  180.461   16.756  161.751   14.306 18.71019 22.03278 
1 1 1    5   22   13 f  114.073   10.777  164.530   30.336  222.667   48.274  126.590   38.998  132.247   14.876   98.984   16.348 33.26231 22.10294 
1 1 1    5   22   14 o  301.262   12.423  1139.03   93.458  1013.34  159.629  1204.58  115.282  281.555   22.902  309.461   14.918 -27.90604 27.33231 
1 1 1    5   22   15 o  216.455   10.667  587.263   57.660  558.020   97.514  602.984   71.498  209.324   18.857  218.726   13.151 -9.401672 22.99036 
1 1 1    5   22   16 o  164.801   17.745  346.669   71.877   0.0000   0.0000  346.669   71.877  ?   ?   164.801   17.745 0.000000 17.74510 
1 1 1    5   22   17 f  278.794   12.196  975.719   84.908  972.265  146.097  977.481  104.338  275.990   21.365  278.256   15.072 -2.265991 26.14602 
1 1 1    5   22   18 o  103.369   9.1549  134.878   23.387  126.892   39.262  139.271   29.116   99.024   16.455  104.759   11.309 -5.735306 19.96685 
1 1 1    5   22   19 o  372.737   14.549  1749.32  135.420  1792.55  234.168  1727.60  165.992  373.397   25.262  369.601   17.985 3.795868 31.01009 
1 1 1    5   22   20 o  234.762   11.047  691.670   64.765  679.318  111.765  697.914   79.467  230.609   19.593  235.129   13.592 -4.519592 23.84625 
1 1 1    5   22   21 o  239.608   11.310  720.909   67.674  858.611  117.014  651.703   82.955  259.734   18.155  226.911   14.719 32.82330 23.37233 
1 1 1    5   22   22 o  115.967   9.4108  169.707   27.018  188.716   45.392  159.278   33.622  121.347   15.321  111.902   12.231 9.444771 19.60450 
1 1 1    5   22   23 o   41.906   13.699   21.278   16.502   0.0000   0.0000   21.278   16.502  ?   ?    41.906   13.699 0.000000 13.69855 
1 1 1    5   23    0 o  290.522   12.910  1066.06   93.663  1043.92  156.030  1078.54  117.111  283.547   22.214  290.840   16.189 -7.293518 27.48680 
1 1 1    5   23    1 o  303.542   13.031  1163.08   98.775  1126.41  165.305  1183.45  123.185  294.723   22.633  304.863   16.239 -10.14044 27.85664 
1 1 1    5   23    2 o  120.724   11.373  184.980   33.881  220.324   50.509  156.067   45.684  130.959   15.761  109.560   17.270 21.39867 23.38081 
1 1 1    5   23    3 o  308.993   16.030  1212.51  123.263  1134.20  168.459  1302.75  180.839  296.209   22.954  317.567   22.958 -21.35834 32.46465 
1 1 1    5   23    4 o   56.742   13.245   42.186   18.425   44.180   23.674   39.122   29.345   58.162   15.862   56.314   18.260 1.847630 24.18699 
1 1 1    5   23    5 o  195.331   10.679  480.504   51.894  453.698   83.738  497.218   66.122  188.282   18.030  198.221   13.437 -9.938965 22.48695 
1 1 1    5   23    6 o  189.513   11.435  452.816   53.861  517.152   87.724  413.888   68.237  201.307   17.628  180.448   15.287 20.85863 23.33313 
1 1 1    5   23    7 o   60.370   11.573   47.299   16.813   26.524   21.552   79.594   26.871   47.097   15.668   78.294   14.270 -31.19706 21.19177 
1 1 1    5   23    8 o   65.088   19.411   54.441   33.935   0.0000   0.0000   54.441   33.935  ?   ?    65.088   19.411 0.000000 19.41123 
1 1 1    5   23    9 o  474.898   17.735  2853.13  210.315  2656.48  361.647  2953.62  258.527  450.441   32.367  481.719   21.491 -31.27795 38.85210 
1 1 1    5   23   10 o  223.365   11.889  628.303   66.077  718.718  110.897  578.535   82.276  237.480   18.855  213.653   15.527 23.82651 24.42570 
1 1 1    5   23   11 o  157.734   10.957  313.639   42.890  387.452   69.948  269.169   54.294  174.499   16.239  145.383   15.179 29.11674 22.22804 
1 1 1    5   23   12 o  321.281   13.837  1298.71  111.018  1389.59  190.131  1251.70  136.752  329.281   23.272  314.228   17.497 15.05270 29.11613 
1 1 1    5   23   13 o  112.438   13.872  161.418   38.125  231.850   50.011   63.699   58.907  134.832   15.113   74.214   25.876 60.61759 29.96653 
1 1 1    5   23   14 o  107.930   10.005  147.271   26.659  161.884   41.872  137.309   34.572  112.326   15.328  103.595   13.700 8.730972 20.55796 
1 1 1    5   23   15 o  168.174   9.6894  355.658   40.519  310.686   67.105  381.463   50.832  155.813   17.552  173.903   11.775 -18.09015 21.13593 
1 1 1    5   23   16 o  244.372   11.813  750.001   72.089  884.110  123.602  680.862   88.747  263.478   18.912  231.866   15.415 31.61211 24.39828 
1 1 1    5   23   17 o  168.872   10.245  358.982   42.998  571.851   73.597  248.666   52.981  212.673   13.935  139.576   15.460 73.09680 20.81349 
1 1 1    5   23   18 o  157.533   17.530  317.821   67.793   0.0000   0.0000  317.821   67.793  ?   ?   157.533   17.530 0.000000 17.53024 
1 1 1    5   23   19 o  262.739   11.767  867.469   77.201  958.856  133.692  821.750   94.561  274.000   19.670  254.804   14.926 19.19629 24.69217 
1 1 1    5   23   20 o  187.818   10.217  443.961   47.739  524.624   82.526  403.392   58.526  203.026   16.418  178.514   13.223 24.51237 21.08067 
1 1 1    5   23   21 o  135.983   9.3233  232.966   31.469  178.605   53.709  261.383   38.832  117.123   19.016  143.854   10.890 -26.73111 21.91355 
1 1 1    5   23   22 o  154.146   17.392  304.984   65.775   0.0000   0.0000  304.984   65.775  ?   ?   154.146   17.392 0.000000 17.39161 
1 1 1    5   23   23 o  161.324   16.932  333.417   67.196  333.417   67.196   0.0000   0.0000  161.324   16.932  ?   ?  0.000000 16.93227 
1 1 1    5   23   24 o  238.307   13.927  719.065   82.517   0.0000   0.0000  719.065   82.517  ?   ?   238.307   13.927 0.000000 13.92685 
1 1 1    5   24    0 o  572.598   41.398  4679.74  587.960   0.0000   0.0000  4679.74  587.960  ?   ?   572.598   41.398 0.000000 41.39846 
1 1 1    5   24    1 o  161.627   10.649  330.421   42.739  316.402   65.252  340.955   56.561  156.602   16.957  163.444   13.993 -6.841736 21.98452 
1 1 1    5   24    2 o  416.519   16.984  2211.88  176.654  2413.09  302.350  2107.59  217.673  426.286   28.568  403.443   21.685 22.84302 35.86610 
1 1 1    5   24    3 o  141.126   10.266  251.785   35.932  231.020   53.833  268.470   48.255  133.829   16.455  145.128   13.469 -11.29942 21.26426 
1 1 1    5   24    4 o  404.660   16.224  2079.74  163.944  2179.75  280.285  2027.72  202.128  406.906   27.749  397.115   20.452 9.791168 34.47203 
1 1 1    5   24    5 o  174.445   13.447  386.409   58.125  389.857   74.579  381.075   92.767  174.268   17.369  170.792   22.282 3.475189 28.25154 
1 1 1    5   24    6 o   81.844   11.096   85.747   22.092   78.462   30.317   93.997   32.260   77.272   16.228   84.830   15.811 -7.557655 22.65639 
1 1 1    5   24    7 o  125.398   10.778  199.049   33.423  222.283   51.210  181.808   44.114  131.577   15.909  118.972   15.196 12.60533 21.99991 
1 1 1    5   24    8 o  347.224   14.713  1523.01  127.577  1613.39  217.955  1475.90  157.350  352.804   24.899  340.160   18.594 12.64398 31.07574 
1 1 1    5   24    9 o  310.877   13.570  1218.33  105.346  1250.42  179.000  1201.32  130.301  311.318   23.191  307.405   17.041 3.912140 28.77890 
1 1 1    5   24   10 o  276.286   16.103  968.842  110.617   0.0000   0.0000  968.842  110.617  ?   ?   276.286   16.103 0.000000 16.10266 
1 1 1    5   24   11 o  194.810   10.851  478.096   52.579  496.530   87.104  467.528   65.949  197.074   17.894  192.104   13.840 4.970459 22.62216 
1 1 1    5   24   12 o  131.269   11.338  218.098   36.801  328.277   59.658  150.417   46.758  160.570   15.054  107.504   18.057 53.06664 23.50948 
1 1 1    5   24   13 o  226.733   11.166  645.802   63.222  637.156  106.447  650.513   78.584  223.081   19.298  226.758   13.945 -3.676926 23.80972 
1 1 1    5   24   14 o  220.956   14.181  618.057   77.831  681.795  107.701  548.387  112.602  230.944   18.839  205.973   22.245 24.97101 29.15064 
1 1 1    5   24   15 o  142.341   9.9111  255.420   35.009  271.738   57.687  245.906   44.049  145.735   16.121  139.198   12.816 6.537598 20.59477 
1 1 1    5   24   16 o  157.736   10.794  313.908   42.262  517.052   71.649  205.517   52.337  201.972   14.298  126.293   17.029 75.67979 22.23587 
1 1 1    5   24   17 o  227.928   11.149  652.775   63.458  711.491  108.878  622.570   78.093  235.934   18.631  221.723   14.178 14.21066 23.41279 
1 1 1    5   24   18 o   81.374   9.8788   84.303   19.663  124.104   33.246   62.890   24.385   98.253   13.941   69.319   14.550 28.93436 20.15100 
1 1 1    5   24   19 o  211.064   19.195  571.556  100.064   0.0000   0.0000  571.556  100.064  ?   ?   211.064   19.195 0.000000 19.19491 
1 1 1    5   24   20 o  183.402   10.126  423.608   46.196  444.807   79.976  412.993   56.591  186.438   17.378  180.652   12.624 5.786087 21.47942 
1 1 1    5   24   21 o  308.479   16.204  1208.86  124.386   0.0000   0.0000  1208.86  124.386  ?   ?   308.479   16.204 0.000000 16.20393 
1 1 1    5   24   22 o   29.013   11.975   3.0167   14.068   11.717   17.483 -12.9643   23.695   36.433   13.872   31.294   14.156 5.139441 19.82004 
1 1 1    5   24   23 o  176.969   12.909  396.877   56.655  497.138   79.266  292.157   81.009  197.391   16.224  149.284   22.423 48.10617 27.67740 
1 1 1    5   24   24 o  240.850   11.450  729.921   68.865  862.112  118.304  662.173   84.693  259.572   18.370  228.316   14.937 31.25636 23.67621 
1 1 1    5   24   25 o  139.968   11.904  248.429   41.211   0.0000   0.0000  248.429   41.211  ?   ?   139.968   11.904 0.000000 11.90360 
1 1 1    5   25    0 o  437.497   17.691  2458.52  193.271  2600.11  330.129  2384.69  238.397  437.345   30.417  426.752   22.449 10.59265 37.80452 
1 1 1    5   25    1 o  214.225   11.539  581.348   61.500  556.729   97.353  597.698   79.335  207.090   19.038  216.245   14.780 -9.154678 24.10196 
1 1 1    5   25    2 o  324.625   17.629  1353.99  142.377   0.0000   0.0000  1353.99  142.377  ?   ?   324.625   17.629 0.000000 17.62947 
1 1 1    5   25    3 o  160.037   11.469  324.795   45.532  395.416   71.429  276.458   59.095  175.308   16.511  146.344   16.456 28.96352 23.31100 
1 1 1    5   25    4 o  339.539   14.251  1462.13  120.837  1458.18  204.787  1464.25  149.670  333.101   24.797  337.889   17.801 -4.788086 30.52480 
1 1 1    5   25    5 o   98.845   11.282  124.693   27.349  141.951   39.368  108.594   38.022  104.617   15.541   90.811   17.400 13.80575 23.33018 
1 1 1    5   25    6 o  203.404   14.246  526.480   71.904  562.471   95.440  479.238  109.346  208.968   18.480  190.971   23.420 17.99654 29.83283 
1 1 1    5   25    7 o  224.001   11.559  633.851   64.438  645.235  106.361  627.250   80.994  223.758   19.222  222.040   14.690 1.718338 24.19254 
1 1 1    5   25    8 o  152.133   10.226  292.254   38.623  285.564   60.547  296.845   50.152  149.028   16.549  152.748   13.280 -3.720154 21.21866 
1 1 1    5   25    9 o  135.265   10.519  231.419   35.251  250.634   55.142  218.139   45.841  139.652   16.107  130.583   14.291 9.069641 21.53303 
1 1 1    5   25   10 o  127.960   10.540  207.215   33.381  233.602   52.196  188.955   43.422  134.866   15.798  121.377   14.620 13.48878 21.52458 
1 1 1    5   25   11 o  164.018   18.057  346.393   72.734   0.0000   0.0000  346.393   72.734  ?   ?   164.018   18.057 0.000000 18.05729 
1 1 1    5   25   12 o  111.642   9.7794  157.689   26.989  142.272   41.249  169.230   35.689  104.739   16.301  115.208   12.611 -10.46856 20.60967 
1 1 1    5   25   13 o  125.810   10.018  200.035   31.214  213.825   49.593  190.988   40.169  129.016   15.718  122.331   13.367 6.685257 20.63292 
1 1 1    5   25   14 o  236.523   11.771  704.175   69.526  783.817  118.053  661.882   86.028  247.171   19.279  228.218   15.182 18.95332 24.53876 
1 1 1    5   25   15 o   72.630   11.158   67.852   19.590   77.288   28.883   59.812   26.660   76.788   15.595   67.379   16.070 9.408432 22.39280 
1 1 1    5   25   16 o  149.843   9.7879  283.108   36.424  274.347   60.434  288.105   45.646  146.092   16.876  150.758   12.230 -4.666214 20.84174 
1 1 1    5   25   17 o  219.471   11.225  607.453   61.312  880.721  105.682  468.809   75.276  263.087   16.164  191.719   15.866 71.36728 22.64965 
1 1 1    5   25   18 o  190.056   10.307  455.180   48.733  457.255   83.823  454.120   59.896  188.740   18.003  189.378   12.739 -0.6377716 22.05444 
1 1 1    5   25   19 o  283.986   12.066  1015.83   85.565  1084.53  147.846  981.226  104.923  290.377   20.521  278.008   15.171 12.36884 25.51995 
1 1 1    5   25   20 o  179.578   18.319  414.882   80.998   0.0000   0.0000  414.882   80.998  ?   ?   179.578   18.319 0.000000 18.31863 
1 1 1    5   25   21 o   82.167   9.9479   86.028   19.996  151.255   34.741   53.715   24.452  108.739   13.055   63.864   15.491 44.87474 20.25846 
1 1 1    5   25   22 o  182.590   10.370  420.381   47.089  509.753   81.129  374.977   57.827  199.748   16.410  171.794   13.590 27.95424 21.30667 
1 1 1    5   25   23 o   85.217   10.302   92.577   21.478   90.518   35.658   93.749   26.907   82.805   17.776   85.246   13.056 -2.441177 22.05511 
1 1 1    5   25   24 o  370.956   18.940  1761.40  174.867  2026.13  246.655  1493.89  247.947  394.291   25.182  335.427   29.915 58.86380 39.10332 
1 1 1    5   25   25 o  132.698   10.101  222.547   33.222  259.788   54.932  201.072   41.715  142.304   15.721  125.470   13.528 16.83411 20.73974 
1 1 1    5   25   26 o   97.089   12.483  120.766   29.565   0.0000   0.0000  120.766   29.565  ?   ?    97.089   12.483 0.000000 12.48343 
1 1 1    5   26    0 o   70.769   14.181   65.969   24.188   93.940   31.470   25.590   37.810   84.476   15.489   52.855   20.334 31.62083 25.56138 
1 1 1    5   26    1 o   63.692   13.983   53.563   21.630   65.459   27.697   34.964   34.632   70.169   16.142   55.492   19.797 14.67655 25.54381 
1 1 1    5   26    2 o  175.632   11.336  391.380   49.451  404.877   77.302  382.031   64.337  176.650   17.764  172.457   15.091 4.192886 23.30927 
1 1 1    5   26    3 o  294.064   23.471  1139.90  170.920   0.0000   0.0000  1139.90  170.920  ?   ?   294.064   23.471 0.000000 23.47113 
1 1 1    5   26    4 o  157.902   10.696  315.838   41.928  304.732   64.597  323.923   55.115  153.374   17.160  159.117   14.014 -5.743607 22.15529 
1 1 1    5   26    5 o  181.783   10.722  418.029   48.459  396.096   76.631  432.644   62.554  174.949   17.788  184.202   13.697 -9.252594 22.45033 
1 1 1    5   26    6 o  338.498   14.958  1456.91  126.438  1674.77  215.509  1342.56  156.133  356.973   24.321  322.395   19.485 34.57831 31.16343 
1 1 1    5   26    7 o  100.899   13.937  131.387   34.178  143.846   40.317   99.562   64.435  105.193   15.839   86.638   26.933 18.55540 31.24504 
1 1 1    5   26    8 o  191.872   10.128  464.555   48.357  376.911   77.444  520.564   61.910  170.601   18.473  202.652   12.292 -32.05101 22.18910 
1 1 1    5   26    9 o   49.952   13.252   32.678   16.802   37.638   21.795   25.413   26.380   53.788   15.426   48.197   17.269 5.590919 23.15529 
1 1 1    5   26   10 o  207.570   11.591  544.858   59.840  628.425   99.625  497.690   74.847  220.997   18.214  197.412   15.302 23.58517 23.78910 
1 1 1    5   26   11 o   73.636   11.892   70.066   21.122   90.102   30.149   50.754   29.601   83.048   15.094   62.337   18.006 20.71025 23.49561 
1 1 1    5   26   12 o  229.656   20.128  681.834  114.268   0.0000   0.0000  681.834  114.268  ?   ?   229.656   20.128 0.000000 20.12807 
1 1 1    5   26   13 o  143.355   10.991  260.201   39.047  352.108   63.657  204.760   49.441  165.866   15.550  125.981   16.082 39.88483 22.37084 
1 1 1    5   26   14 o  161.982   10.046  331.096   40.435  324.152   66.658  335.138   50.862  158.697   17.090  162.480   12.635 -3.782639 21.25311 
1 1 1    5   26   15 o   71.388   11.064   65.629   19.085   64.242   28.350   66.779   25.809   69.725   16.533   71.300   14.972 -1.575851 22.30496 
1 1 1    5   26   16 o   52.419   12.468   36.043   16.083   28.019   23.284   43.365   22.241   48.439   16.287   57.473   15.246 -9.033672 22.30906 
1 1 1    5   26   17 o  219.107   13.877  609.473   75.538  854.520  106.476  361.164  107.182  258.744   16.566  164.251   27.075 94.49281 31.74081 
1 1 1    5   26   18 o  443.010   17.120  2498.41  189.395  2593.91  327.767  2450.54  232.058  441.985   29.872  436.461   21.291 5.523926 36.68310 
1 1 1    5   26   19 o  144.248   9.7813  262.636   35.025  270.014   60.110  258.844   43.098  144.746   16.951  142.768   12.206 1.978149 20.88817 
1 1 1    5   26   20 o  186.958   10.316  440.835   47.977  508.188   83.122  407.186   58.752  199.189   16.869  179.071   13.232 20.11784 21.43988 
1 1 1    5   26   22 o  297.447   12.593  1116.44   93.541  1479.83  162.568  936.573  114.371  339.568   19.251  270.765   17.001 68.80252 25.68337 
1 1 1    5   26   23 o  119.636   9.7753  181.029   28.949  196.291   48.621  172.648   36.031  123.307   16.181  116.311   12.607 6.995789 20.51248 
1 1 1    5   26   24 o  344.469   13.360  1499.38  114.920  2056.67  199.458  1222.45  140.602  400.528   19.942  308.926   18.307 91.60178 27.07111 
1 1 1    5   26   25 o  123.596   12.130  194.417   36.955  185.526   48.903  206.253   56.426  119.657   16.832  125.834   18.510 -6.177422 25.01838 
1 1 1    5   26   26 o  188.548   10.696  448.707   50.151  512.595   84.331  413.749   62.381  199.982   17.050  180.335   13.961 19.64691 22.03636 
1 1 1    5   26   27 o  107.010   12.814  146.552   33.562   0.0000   0.0000  146.552   33.562  ?   ?   107.010   12.814 0.000000 12.81445 
1 1 1    5   27    0 o  283.081   15.992  1031.96  112.584  978.780  149.156  1102.39  171.635  271.907   22.160  287.149   24.160 -15.24200 32.78367 
1 1 1    5   27    1 o  150.784   11.288  289.312   42.196  288.994   62.769  289.574   56.995  148.893   17.198  149.636   15.476 -0.7438965 23.13668 
1 1 1    5   27    2 o  372.755   15.441  1777.98  143.730  1776.47  243.203  1778.79  178.174  362.853   27.034  369.841   19.359 -6.988495 33.25112 
1 1 1    5   27    3 o  192.234   11.142  468.678   53.255  446.967   83.852  483.356   68.944  185.264   18.367  194.263   14.313 -8.999054 23.28513 
1 1 1    5   27    4 o  165.340   19.021  357.464   77.102   0.0000   0.0000  357.464   77.102  ?   ?   165.340   19.021 0.000000 19.02069 
1 1 1    5   27    5 o  311.151   13.314  1229.07  103.453  1165.55  173.726  1263.97  128.775  297.012   23.618  313.761   16.493 -16.74905 28.80692 
1 1 1    5   27    6 o  449.793   17.821  2599.56  200.170  2656.62  343.286  2570.18  246.393  440.991   31.377  443.203   22.334 -2.211060 38.51453 
1 1 1    5   27    7 o   83.374   12.762   89.982   25.726  140.270   36.466   40.159   36.298  104.103   14.414   58.379   20.315 45.72466 24.90877 
1 1 1    5   27    8 o  117.108   10.520  174.222   30.437  173.872   45.277  174.511   41.113  115.683   16.111  116.332   14.465 -0.6488190 21.65114 
1 1 1    5   27    9 o   97.593   13.512  122.922   32.045  124.251   38.038  119.671   59.478   97.473   16.196   93.803   24.955 3.670738 29.75019 
1 1 1    5   27   10 o  126.741   10.324  203.622   32.391  196.147   49.713  209.136   42.700  122.916   16.622  127.769   13.592 -4.852669 21.47179 
1 1 1    5   27   11 o  151.683   10.346  291.047   38.954  292.139   62.064  290.337   50.038  150.397   16.813  150.833   13.425 -0.4359283 21.51526 
1 1 1    5   27   12 o  149.097   9.9429  280.931   36.807  250.006   58.546  301.143   47.331  138.900   17.250  153.889   12.422 -14.98840 21.25777 
1 1 1    5   27   13 o  142.234   9.7988  255.648   34.592  219.823   54.954  279.158   44.518  130.120   17.344  148.206   12.135 -18.08603 21.16785 
1 1 1    5   27   14 o  203.457   19.190  535.586   96.349   0.0000   0.0000  535.586   96.349  ?   ?   203.457   19.190 0.000000 19.19047 
1 1 1    5   27   15 o  339.830   13.886  1462.80  117.838  1356.56  202.113  1517.51  145.039  321.068   25.416  344.972   16.836 -23.90393 30.48691 
1 1 1    5   27   16 o  146.450   10.006  271.011   36.374  267.967   60.216  272.760   45.642  144.006   17.078  146.418   12.606 -2.412247 21.22627 
1 1 1    5   27   17 o   91.091   10.313  105.717   23.045   96.986   37.519  111.007   29.203   85.568   18.123   92.859   12.946 -7.291031 22.27165 
1 1 1    5   27   18 o  212.608   13.488  574.094   71.242  757.477  100.722  390.497  100.781  243.308   16.678  171.763   24.164 71.54472 29.36105 
1 1 1    5   27   19 o  232.227   13.387  684.297   77.306   0.0000   0.0000  684.297   77.306  ?   ?   232.227   13.387 0.000000 13.38735 
1 1 1    5   27   20 o  275.861   21.953  988.795  149.980  988.795  149.980   0.0000   0.0000  275.861   21.953  ?   ?  0.000000 21.95330 
1 1 1    5   27   21 o  199.447   10.599  502.079   52.598  691.859   91.378  408.044   64.323  232.799   15.812  178.859   14.527 53.93982 21.47226 
1 1 1    5   27   22 o  125.338   9.9431  198.756   30.866  228.899   53.293  183.542   37.862  133.181   16.369  119.872   12.849 13.30811 20.80931 
1 1 1    5   27   23 o  115.228   11.538  168.987   32.755  274.668   47.428   72.617   45.291  146.862   13.069   74.483   22.473 72.37888 25.99701 
1 1 1    5   27   24 o  284.797   12.701  1024.41   90.330  1212.28  155.964  929.575  110.807  306.400   20.502  269.756   16.529 36.64465 26.33521 
1 1 1    5   27   25 o  106.725   10.226  144.560   26.919  117.077   43.314  161.857   34.361   94.019   19.100  112.576   12.430 -18.55743 22.78853 
1 1 1    5   27   26 o  105.936   12.499  143.572   32.429  124.693   41.380  173.622   52.208   97.448   17.655  115.102   18.814 -17.65438 25.80039 
1 1 1    5   27   27 o  261.199   12.336  861.083   80.466  1065.14  137.092  753.836   99.387  287.738   19.190  242.847   16.486 44.89041 25.29894 
1 1 1    5   27   28 o  157.243   12.184  313.807   47.470   0.0000   0.0000  313.807   47.470  ?   ?   157.243   12.184 0.000000 12.18431 
1 1 1    5   28    0 f  332.736   14.754  1419.07  122.594  1449.99  204.678  1401.77  153.094  327.563   25.216  327.612   18.792 -0.4867554E-01 31.44796 
1 1 1    5   28    1 o  260.825   16.204  878.677  105.019  907.460  138.742  840.059  160.704  261.894   21.402  248.424   26.305 13.46968 33.91132 
1 1 1    5   28    2 o  448.426   17.377  2596.89  194.583  2425.90  331.367  2686.88  240.394  416.229   32.129  452.396   21.279 -36.16739 38.53689 
1 1 1    5   28    3 o  354.295   13.969  1600.99  123.590  1361.35  207.094  1733.55  154.026  317.420   26.365  366.944   16.809 -49.52444 31.26766 
1 1 1    5   28    4 o  322.877   14.117  1329.40  113.823  1356.46  191.400  1314.59  141.577  319.012   24.207  318.635   17.865 0.3771362 30.08520 
1 1 1    5   28    5 o  139.670   11.992  248.940   41.420  335.776   62.981  182.760   54.983  161.184   15.852  117.326   19.448 43.85787 25.08989 
1 1 1    5   28    6 o  141.138   18.920  261.717   65.004   0.0000   0.0000  261.717   65.004  ?   ?   141.138   18.920 0.000000 18.92004 
1 1 1    5   28    7 o  211.598   10.737  566.767   56.551  477.307   91.238  622.575   72.063  191.158   19.381  221.073   13.112 -29.91429 23.39970 
1 1 1    5   28    8 o   69.432   12.359   62.823   20.644   52.265   27.411   76.659   31.379   62.789   17.045   75.892   16.982 -13.10270 24.06038 
1 1 1    5   28    9 o  218.418   11.158  604.067   60.659  565.316   99.607  626.909   76.474  208.379   19.363  221.685   13.884 -13.30577 23.82680 
1 1 1    5   28   10 o  219.401   14.624  615.234   79.664  668.794  107.871  550.975  118.154  226.940   19.215  203.805   23.656 23.13516 30.47631 
1 1 1    5   28   11 o  100.117   10.953  127.939   26.937  130.956   39.771  125.381   36.614   99.989   16.504   98.059   15.465 1.929283 22.61722 
1 1 1    5   28   12 o  312.391   13.242  1237.03  103.303  1148.58  175.617  1283.83  127.741  295.155   24.036  316.681   16.208 -21.52505 28.98951 
1 1 1    5   28   13 o  182.128   11.279  420.202   51.047  541.487   85.220  352.335   63.748  205.169   16.780  165.589   15.600 39.57951 22.91182 
1 1 1    5   28   14 o  292.441   12.848  1082.57   93.828  1079.61  160.183  1084.11  115.767  287.255   22.511  291.157   15.983 -3.901733 27.60795 
1 1 1    5   28   15 o  276.617   22.306  1000.09  152.771   0.0000   0.0000  1000.09  152.771  ?   ?   276.617   22.306 0.000000 22.30585 
1 1 1    5   28   16 o   67.499   12.682   59.448   20.592  130.614   32.418   11.314   26.661  100.746   13.204   41.882   16.778 58.86393 21.35035 
1 1 1    5   28   17 o   79.232   11.496   80.807   22.081  142.070   36.093   44.162   27.914  104.935   14.133   58.458   17.644 46.47741 22.60676 
1 1 1    5   28   18 o  291.577   15.769  1085.41  114.392   0.0000   0.0000  1085.41  114.392  ?   ?   291.577   15.769 0.000000 15.76921 
1 1 1    5   28   19 o  187.527   18.745  455.286   86.605  455.286   86.605   0.0000   0.0000  187.527   18.745  ?   ?  0.000000 18.74506 
1 1 1    5   28   20 o  205.555   10.813  533.803   55.307  649.745   95.450  475.202   67.860  224.956   17.120  193.086   14.173 31.87006 22.22515 
1 1 1    5   28   21 o   94.601   10.473  114.030   24.327  147.987   41.755   96.582   29.932  106.663   16.185   86.151   14.423 20.51180 21.67857 
1 1 1    5   28   22 o  520.784   19.785  3488.11  257.304  3759.29  445.771  3352.61  315.095  524.840   34.199  506.255   24.924 18.58539 42.31763 
1 1 1    5   28   23 o  130.289   9.9328  214.756   32.073  306.692   55.289  168.125   39.376  154.854   14.465  114.356   14.086 40.49806 20.19075 
1 1 1    5   28   24 o  159.740   17.796  329.947   69.780   0.0000   0.0000  329.947   69.780  ?   ?   159.740   17.796 0.000000 17.79564 
1 1 1    5   28   25 o  175.115   10.429  387.363   45.401  521.135   77.389  317.161   56.062  201.922   15.465  157.520   14.412 44.40202 21.13941 
1 1 1    5   28   26 o  136.843   10.399  237.046   35.270  329.018   58.199  183.660   44.340  160.389   14.694  119.329   15.227 41.06010 21.16090 
1 1 1    5   28   27 o  157.285   13.055  314.938   50.812  327.735   67.215  297.870   77.622  159.387   17.158  150.582   21.232 8.805023 27.29805 
1 1 1    5   28   28 f   77.932   11.329   78.126   21.402   80.609   30.209   75.623   30.325   78.224   16.004   75.629   16.520 2.595474 23.00061 
1 1 1    5   28   29 o   72.876   15.332   69.959   27.018   0.0000   0.0000   69.959   27.018  ?   ?    72.876   15.332 0.000000 15.33204 
1 1 1    5   29    0 o  159.749   11.962  326.558   47.373  337.312   69.309  317.130   64.898  160.166   17.620  155.527   16.986 4.639328 24.47454 
1 1 1    5   29    1 o  237.810   12.775  723.099   75.584  780.480  121.314  686.692   96.632  242.939   20.180  229.681   16.968 13.25801 26.36533 
1 1 1    5   29    2 o  133.985   15.559  233.729   51.089  281.234   60.491  115.538   95.414  146.646   16.823   92.853   32.888 53.79318 36.94058 
1 1 1    5   29    3 o   94.931   12.983  116.796   29.970  130.318   40.242   99.956   44.911   99.239   16.841   85.573   21.140 13.66574 27.02801 
1 1 1    5   29    4 o   84.879   12.887   93.644   26.457   96.070   35.221   90.503   40.079   84.848   17.211   81.722   19.839 3.126480 26.26424 
1 1 1    5   29    5 o  178.776   11.011  406.003   48.919  384.553   75.977  421.192   63.934  171.541   18.005  181.073   14.255 -9.532059 22.96445 
1 1 1    5   29    6 o  102.782   11.343  135.316   28.628  122.959   40.260  147.955   40.717   96.309   17.379  106.345   15.814 -10.03625 23.49714 
1 1 1    5   29    7 o  200.858   19.825  529.281   98.140   0.0000   0.0000  529.281   98.140  ?   ?   200.858   19.825 0.000000 19.82479 
1 1 1    5   29    8 o  116.636   10.907  173.406   31.400  168.815   46.211  177.344   42.797  113.502   16.812  116.927   15.003 -3.425179 22.53353 
1 1 1    5   29    9 o   94.799   11.414  115.261   26.477  114.431   37.763  116.064   37.132   93.073   16.869   93.869   16.440 -0.7953339 23.55482 
1 1 1    5   29   10 o   54.563   13.822   39.322   18.855   39.720   24.558   38.751   29.429   55.280   16.519   55.739   18.297 -0.4589729 24.65037 
1 1 1    5   29   11 o  189.577   11.365  455.915   53.552  519.853   87.913  418.194   67.527  200.294   17.761  180.430   15.127 19.86369 23.32946 
1 1 1    5   29   12 o  119.800   13.003  184.098   38.277  183.970   48.183  184.318   63.019  118.755   16.710  117.031   22.379 1.723885 27.92933 
1 1 1    5   29   13 o  130.057   10.166  214.485   32.754  197.602   51.517  225.939   42.434  123.020   17.243  132.887   12.952 -9.866905 21.56589 
1 1 1    5   29   14 o  247.001   11.831  771.481   72.974  771.086  123.455  771.694   90.471  243.116   20.527  245.740   14.812 -2.624054 25.31304 
1 1 1    5   29   15 o  214.839   11.418  584.614   61.038  661.044  103.365  543.694   75.633  225.978   18.479  206.164   14.789 19.81450 23.66824 
1 1 1    5   29   16 o  132.760   10.767  223.729   35.388  354.607   59.069  150.460   44.197  166.438   14.352  107.180   17.087 59.25779 22.31473 
1 1 1    5   29   17 o  136.803   13.158  239.265   44.397   0.0000   0.0000  239.265   44.397  ?   ?   136.803   13.158 0.000000 13.15826 
1 1 1    5   29   18 o  159.784   10.411  323.058   41.313  339.913   70.509  314.246   50.981  161.948   17.724  156.967   13.127 4.981552 22.05566 
1 1 1    5   29   19 o  144.701   10.357  265.115   37.178  309.406   64.248  242.818   45.585  154.710   16.905  137.787   13.419 16.92262 21.58334 
1 1 1    5   29   20 o  143.065   10.178  259.032   36.124  390.177   63.143  195.223   44.044  174.648   14.612  123.134   14.609 51.51339 20.66256 
1 1 1    5   29   21 o  109.079   12.446  152.328   33.294  302.466   47.689   9.5621   46.503  154.166   12.495   51.829   21.613 102.3370 24.96508 
1 1 1    5   29   22 o  485.733   18.574  3029.04  225.296  3456.76  390.702  2815.96  275.761  505.825   31.082  463.661   23.898 42.16400 39.20687 
1 1 1    5   29   23 o  109.831   10.817  153.474   29.283  300.934   49.798   75.535   36.203  153.644   13.104   75.241   19.204 78.40316 23.24895 
1 1 1    5   29   24 o  254.323   12.087  817.145   76.767  930.430  132.199  759.510   94.293  268.055   19.891  243.789   15.570 24.26649 25.26035 
1 1 1    5   29   25 o  164.967   18.139  352.648   73.488   0.0000   0.0000  352.648   73.488  ?   ?   164.967   18.139 0.000000 18.13858 
1 1 1    5   29   26 o  169.764   10.791  364.658   45.508  353.063   75.242  371.346   57.144  164.909   18.596  170.687   13.517 -5.778381 22.98945 
1 1 1    5   29   27 o  110.248   10.686  154.568   29.050  176.868   46.182  139.966   37.370  116.713   16.289  103.966   14.813 12.74708 22.01728 
1 1 1    5   29   28 o  113.276   13.484  164.789   37.393  165.608   46.005  163.195   64.189  112.706   16.864  109.786   24.076 2.920059 29.39490 
1 1 1    5   29   29 o   86.021   11.142   94.854   23.372   91.650   32.538   98.268   33.594   83.419   16.204   86.462   16.153 -3.042641 22.87995 
1 1 1    5   30    0 o   69.300   23.630   62.395   49.020   0.0000   0.0000   62.395   49.020  ?   ?    69.300   23.630 0.000000 23.62952 
1 1 1    5   30    1 o  133.889   11.957  230.237   39.556  229.455   55.397  231.050   56.502  131.732   17.255  132.064   17.569 -0.3322906 24.62498 
1 1 1    5   30    2 o  348.096   14.929  1560.45  129.768  1532.89  216.998  1575.80  161.908  333.820   26.243  346.304   18.793 -12.48401 32.27764 
1 1 1    5   30    3 o  114.128   12.024  167.523   33.754  168.286   46.568  166.679   48.995  112.783   17.068  111.831   18.168 0.9526672 24.92793 
1 1 1    5   30    4 o  181.712   14.291  425.587   64.323  418.046   79.788  439.585  108.711  178.397   18.164  179.232   24.967 -0.8356171 30.87495 
1 1 1    5   30    5 o  256.583   12.143  837.174   77.806  755.582  126.343  887.023   98.754  238.433   21.449  262.403   15.135 -23.96947 26.25121 
1 1 1    5   30    6 o  121.816   11.844  190.102   35.574  215.617   51.407  166.656   49.278  128.401   16.408  112.030   18.242 16.37114 24.53543 
1 1 1    5   30    7 o  148.267   10.946  279.776   40.240  262.264   60.501  293.668   53.887  141.460   17.500  150.879   14.480 -9.418472 22.71420 
1 1 1    5   30    8 o  278.124   12.567  983.170   87.281  912.285  144.533  1023.86  109.502  262.217   22.284  282.082   15.606 -19.86496 27.20496 
1 1 1    5   30    9 o   94.629   17.976  119.256   40.925   0.0000   0.0000  119.256   40.925  ?   ?    94.629   17.976 0.000000 17.97576 
1 1 1    5   30   10 o  153.186   10.832  298.122   41.169  295.448   63.913  300.019   53.822  150.518   17.320  152.720   14.279 -2.201233 22.44658 
1 1 1    5   30   11 o  278.557   13.314  986.906   92.617  1152.18  156.920  898.555  114.732  296.086   21.367  263.508   17.536 32.57776 27.64124 
1 1 1    5   30   12 o  139.481   10.515  247.017   36.357  235.654   56.758  254.923   47.345  134.321   17.325  140.931   13.623 -6.609940 22.03964 
1 1 1    5   30   13 o  276.146   15.694  978.607  107.778  991.049  149.155  965.011  155.912  274.412   21.950  269.852   23.367 4.559998 32.05992 
1 1 1    5   30   14 o  138.013   11.135  242.232   38.050  370.714   62.149  165.195   48.124  169.884   14.798  112.041   17.795 57.84377 23.14399 
1 1 1    5   30   15 o  477.987   18.672  2948.82  222.867  3150.87  384.957  2846.96  273.333  477.832   32.454  464.620   23.636 13.21249 40.14892 
1 1 1    5   30   16 o  191.441   11.255  464.648   53.569  686.680   91.514  348.911   66.072  231.227   15.946  164.355   16.314 66.87178 22.81311 
1 1 1    5   30   17 o  154.243   10.596  301.535   40.565  330.319   68.628  286.079   50.290  159.506   17.518  149.491   13.621 10.01521 22.19043 
1 1 1    5   30   18 o  269.896   22.335  956.793  149.184   0.0000   0.0000  956.793  149.184  ?   ?   269.896   22.335 0.000000 22.33543 
1 1 1    5   30   19 o  163.476   10.486  338.350   42.581  504.110   74.320  257.346   51.954  198.344   15.119  141.400   14.940 56.94412 21.25523 
1 1 1    5   30   20 o  139.044   10.241  244.945   35.308  415.720   62.538  165.034   42.779  180.378   13.993  112.744   15.614 67.63346 20.96658 
1 1 1    5   30   21 o  306.499   13.270  1191.30  101.567  1266.85  175.783  1153.43  124.443  310.707   22.815  299.822   16.687 10.88522 28.26635 
1 1 1    5   30   22 o  276.766   15.552  979.670  107.049  1143.30  151.232  815.349  151.550  296.499   20.552  247.867   24.818 48.63162 32.22282 
1 1 1    5   30   23 o  174.809   10.654  386.728   46.287  395.612   79.277  382.132   57.014  174.525   18.471  173.122   13.289 1.402771 22.75498 
1 1 1    5   30   24 o  218.707   11.490  605.737   62.534  721.308  107.285  546.266   76.960  236.260   18.328  206.625   15.018 29.63509 23.69486 
1 1 1    5   30   25 o  134.219   10.891  228.709   36.187  330.843   60.338  171.334   45.223  160.480   15.239  114.773   16.231 45.70605 22.26406 
1 1 1    5   30   26 o  150.261   18.141  293.840   66.692   0.0000   0.0000  293.840   66.692  ?   ?   150.261   18.141 0.000000 18.14079 
1 1 1    5   30   27 o  164.461   11.209  342.987   45.761  460.597   75.842  275.661   57.383  189.238   16.205  146.136   15.985 43.10234 22.76264 
1 1 1    5   30   28 o   98.681   11.763  124.766   28.415  192.803   43.861   75.561   37.300  122.271   14.657   75.132   19.655 47.13882 24.51854 
1 1 1    5   30   29 o  203.071   13.796  526.162   69.547  513.390   92.024  543.174  106.200  198.794   18.759  203.452   21.215 -4.657639 28.31936 
1 1 1    5   30   30 o  187.445   12.270  446.790   57.116  689.964   93.640  302.716   72.077  231.642   16.292  151.904   19.447 79.73813 25.36970 
1 1 1    5   31    0 o   99.108   13.299  128.686   32.083  129.882   41.870  126.987   49.933   97.872   17.787   95.197   21.511 2.675301 27.91209 
1 1 1    5   31    1 o  189.364   21.207  487.032   98.561   0.0000   0.0000  487.032   98.561  ?   ?   189.364   21.207 0.000000 21.20706 
1 1 1    5   31    2 o  182.596   11.425  426.672   51.832  361.463   76.696  481.491   70.321  164.480   19.024  192.499   14.741 -28.01939 24.06651 
1 1 1    5   31    3 o   89.741   13.647  105.560   29.620  111.686   38.683   96.878   46.050   91.053   17.650   83.542   21.831 7.511078 28.07381 
1 1 1    5   31    4 o  160.068   11.354  327.496   45.090  293.522   66.261  356.797   61.536  148.806   18.212  165.707   15.034 -16.90074 23.61557 
1 1 1    5   31    5 o   85.938   16.913   98.899   35.003  123.114   38.809  -6.7233   81.053   96.177   16.768   61.453   27.092 34.72395 31.86118 
1 1 1    5   31    6 o   71.867   14.300   68.443   24.760   83.277   32.146   46.804   38.826   78.780   16.850   61.339   21.029 17.44083 26.94702 
1 1 1    5   31    7 o  197.083   11.868  495.572   58.137  530.011   92.209  472.849   74.901  200.804   18.600  190.903   15.855 9.900986 24.44059 
1 1 1    5   31    8 o  275.775   12.718  968.961   87.582  932.401  145.217  989.862  109.799  264.413   22.198  276.736   15.956 -12.32379 27.33806 
1 1 1    5   31    9 o  227.159   11.743  656.806   66.386  622.382  108.044  677.684   84.143  217.142   20.155  229.497   14.760 -12.35458 24.98200 
1 1 1    5   31   10 o  171.203   19.498  386.672   81.874   0.0000   0.0000  386.672   81.874  ?   ?   171.203   19.498 0.000000 19.49844 
1 1 1    5   31   11 o   61.281   14.713   49.928   22.231   62.980   30.111   34.287   32.961   68.528   17.526   54.466   19.326 14.06193 26.08927 
1 1 1    5   31   12 o  431.906   17.233  2407.10  185.863  2408.33  318.998  2406.48  228.690  416.579   30.885  428.117   21.391 -11.53735 37.56925 
1 1 1    5   31   13 o  184.324   11.151  431.523   51.086  448.062   83.631  421.678   64.524  185.242   18.319  181.192   14.378 4.050217 23.28804 
1 1 1    5   31   14 o   85.835   16.055   97.367   33.147  142.231   41.117   14.076   56.022  104.095   16.357   56.911   23.727 47.18419 28.81844 
1 1 1    5   31   15 o  152.201   10.886  294.287   41.102  339.774   67.519  267.507   51.807  161.719   16.972  144.072   14.602 17.64650 22.38893 
1 1 1    5   31   16 o  120.014   11.129  183.640   32.975  341.966   55.798   98.671   40.876  163.341   13.809   85.617   19.548 77.72375 23.93382 
1 1 1    5   31   17 o  263.416   21.910  913.937  142.817  913.937  142.817   0.0000   0.0000  263.416   21.910  ?   ?  0.000000 21.91013 
1 1 1    5   31   18 o  165.162   10.738  345.933   44.047  571.988   76.521  233.920   53.865  211.320   14.590  134.158   16.421 77.16241 21.96653 
1 1 1    5   31   19 o  199.116   19.567  518.073   96.036   0.0000   0.0000  518.073   96.036  ?   ?   199.116   19.567 0.000000 19.56696 
1 1 1    5   31   20 o  226.416   11.553  650.046   65.104  671.082  113.151  639.635   79.600  226.564   20.212  223.674   14.326 2.890747 24.77411 
1 1 1    5   31   21 o  229.655   11.553  668.646   66.041  739.015  115.189  634.189   80.605  238.214   19.536  222.645   14.578 15.56882 24.37561 
1 1 1    5   31   22 o  168.107   10.731  358.158   44.811  430.927   77.041  320.951   55.089  182.495   17.105  158.234   14.089 24.26024 22.16017 
1 1 1    5   31   23 o  143.302   13.235  262.798   46.827  314.551   65.135  207.432   67.370  155.727   17.027  124.237   22.545 31.49033 28.25258 
1 1 1    5   31   24 o  110.628   11.241  156.184   30.622  152.632   50.818  158.208   38.370  107.065   19.734  110.649   14.215 -3.583778 24.32108 
1 1 1    5   31   25 o  168.458   10.583  359.487   44.294  410.718   74.245  331.176   55.193  178.223   16.884  160.822   13.879 17.40068 21.85592 
1 1 1    5   31   26 o  230.019   11.909  671.356   68.173  749.970  115.101  628.875   84.611  240.089   19.363  221.411   15.399 18.67775 24.73948 
1 1 1    5   31   27 o  148.488   14.474  283.417   52.987   0.0000   0.0000  283.417   52.987  ?   ?   148.488   14.474 0.000000 14.47386 
1 1 1    5   31   28 o  256.005   12.176  830.456   77.838  971.267  131.421  754.370   96.605  273.202   19.389  242.200   16.064 31.00215 25.17900 
1 1 1    5   31   29 o  137.100   10.781  238.923   36.613  333.511   57.156  173.097   47.681  161.128   14.355  114.867   17.148 46.26166 22.36332 
1 1 1    5   31   30 o   59.304   16.190   46.624   24.649   46.875   26.746   45.209   63.507   59.590   17.088   68.038   26.303 -8.447945 31.36641 
1 1 1    5   31   31 o  131.548   11.689  221.089   37.999  304.367   58.249  159.394   50.136  153.349   15.420  109.340   19.055 44.00909 24.51241 
1 1 1    5   32    0 o  100.910   13.623  134.749   33.450  125.247   43.073  149.186   53.096   94.915   18.837  102.392   21.452 -7.476295 28.54920 
1 1 1    5   32    1 o  210.077   11.945  569.574   62.404  493.516   94.550  628.278   83.065  189.827   20.259  218.417   15.326 -28.59062 25.40314 
1 1 1    5   32    2 o   86.030   14.055   98.191   29.152   86.711   36.803  117.524   47.761   79.132   18.887   91.384   21.319 -12.25277 28.48197 
1 1 1    5   32    3 o  141.217   17.868  266.952   61.602   0.0000   0.0000  266.952   61.602  ?   ?   141.217   17.868 0.000000 17.86849 
1 1 1    5   32    4 o  168.520   11.969  365.026   50.042  368.498   74.699  362.200   67.402  166.236   18.297  165.769   16.502 0.4672241 24.63950 
1 1 1    5   32    5 o  139.068   11.445  248.180   39.393  219.403   56.163  276.046   55.266  128.153   18.050  145.156   15.486 -17.00333 23.78249 
1 1 1    5   32    6 o  127.353   11.929  208.651   37.496  204.353   53.521  212.794   52.548  123.849   17.818  126.755   17.032 -2.906075 24.64922 
1 1 1    5   32    7 o   71.252   17.363   68.718   30.612   72.943   33.502   47.348   75.343   73.241   18.354   70.844   28.265 2.396942 33.70162 
1 1 1    5   32    8 o  306.324   13.578  1202.38  103.866  1146.26  173.427  1233.77  129.699  290.428   24.131  307.704   16.945 -17.27563 29.48609 
1 1 1    5   32    9 o  179.231   11.410  409.827   50.803  404.519   80.003  413.414   65.765  175.044   18.587  178.705   14.872 -3.660446 23.80425 
1 1 1    5   32   10 o  272.698   12.603  948.134   85.822  874.692  142.729  989.724  107.407  255.329   22.619  276.696   15.608 -21.36636 27.48193 
1 1 1    5   32   11 o  152.283   11.267  295.819   42.541  268.815   64.961  316.096   56.291  142.497   18.708  156.355   14.585 -13.85736 23.72163 
1 1 1    5   32   12 o  226.227   15.374  660.719   86.337   0.0000   0.0000  660.719   86.337  ?   ?   226.227   15.374 0.000000 15.37398 
1 1 1    5   32   13 o  191.077   11.120  464.259   52.830  443.819   86.446  476.444   66.744  183.607   19.135  192.583   13.974 -8.975967 23.69436 
1 1 1    5   32   14 o  161.731   11.638  333.504   46.687  508.625   77.001  231.704   58.709  198.377   15.671  132.536   18.221 65.84102 24.03286 
1 1 1    5   32   15 o  372.842   19.338  1815.72  179.427   0.0000   0.0000  1815.72  179.427  ?   ?   372.842   19.338 0.000000 19.33780 
1 1 1    5   32   16 o  311.364   24.478  1299.76  188.789  1299.76  188.789   0.0000   0.0000  311.364   24.478  ?   ?  0.000000 24.47790 
1 1 1    5   32   17 o  226.721   11.812  653.564   66.643  769.999  114.795  594.374   81.847  242.746   19.091  214.845   15.357 27.90092 24.50122 
1 1 1    5   32   18 o  115.681   11.483  171.113   32.734  316.368   56.539   97.876   40.147  156.705   14.617   85.214   19.313 71.49039 24.22046 
1 1 1    5   32   19 o  249.161   12.031  787.392   74.857  980.164  130.152  692.102   91.506  274.170   19.130  231.756   15.908 42.41388 24.87976 
1 1 1    5   32   20 o  161.585   10.935  331.656   43.863  459.627   77.962  272.388   53.056  188.359   16.749  145.287   14.832 43.07219 22.37241 
1 1 1    5   32   21 o  219.748   11.733  613.459   64.150  566.288  111.999  636.489   78.258  206.684   22.040  222.996   14.126 -16.31210 26.17842 
1 1 1    5   32   22 o  131.502   11.081  220.217   36.050  296.128   64.119  185.130   43.593  150.717   17.353  119.500   14.934 31.21663 22.89471 
1 1 1    5   32   23 o  125.113   11.093  199.480   34.297  205.669   58.186  196.185   42.457  124.614   19.324  123.324   14.036 1.289902 23.88394 
1 1 1    5   32   24 o   87.846   12.818   99.973   27.290  116.000   44.574   90.364   34.514   92.845   19.828   82.321   17.337 10.52409 26.33851 
1 1 1    5   32   25 o  197.567   11.516  495.891   56.568  534.890   95.316  474.686   70.284  202.269   19.097  192.225   14.754 10.04346 24.13249 
1 1 1    5   32   26 o  152.764   10.937  296.620   41.445  383.166   69.422  248.692   51.662  171.983   16.362  138.642   15.169 33.34070 22.31182 
1 1 1    5   32   27 o  236.665   12.341  713.034   72.683  813.547  122.851  658.903   90.155  249.124   19.914  225.967   16.082 23.15782 25.59664 
1 1 1    5   32   28 o   56.525   18.603   40.121   30.415   0.0000   0.0000   40.121   30.415  ?   ?    56.525   18.603 0.000000 18.60286 
1 1 1    5   32   29 o  101.978   12.666  134.243   31.560  195.143   47.058   84.462   42.546  122.287   15.778   78.779   21.173 43.50784 26.40505 
1 1 1    5   32   30 o  112.039   11.595  161.010   31.972  180.259   47.115  144.579   43.529  117.100   16.575  104.417   17.300 12.68365 23.95845 
1 1 1    5   32   31 o  249.705   16.124  808.782  100.005  880.709  133.846  717.885  150.465  257.332   21.012  227.751   26.980 29.58107 34.19724 
1 1 1    5   32   32 o  142.268   12.163  259.862   42.796  367.223   66.007  182.003   56.211  167.774   15.947  115.998   20.136 51.77592 25.68536 
1 1 1    5   33    0 o   89.863   13.768  108.737   29.912   61.314   36.011  214.258   53.717   65.383   20.103  124.116   17.844 -58.73338 26.88051 
1 1 1    5   33    1 o  126.660   11.751  209.624   36.744  147.201   48.579  293.077   56.170  101.824   19.818  147.692   15.459 -45.86830 25.13442 
1 1 1    5   33    2 o  168.555   12.348  370.243   51.611  367.055   75.363  373.059   70.827  163.464   18.805  165.908   17.352 -2.443451 25.58742 
1 1 1    5   33    3 o  126.246   12.590  208.129   39.161  223.723   54.457  191.428   56.355  128.484   17.422  117.307   19.952 11.17729 26.48809 
1 1 1    5   33    4 o  199.419   21.608  550.450  105.882   0.0000   0.0000  550.450  105.882  ?   ?   199.419   21.608 0.000000 21.60758 
1 1 1    5   33    5 o  239.839   12.402  742.008   74.027  672.954  117.741  787.148   95.196  221.365   21.574  244.751   15.658 -23.38612 26.65669 
1 1 1    5   33    6 o  117.211   12.398  178.235   35.739  167.215   50.159  189.599   50.936  110.892   18.784  118.730   17.722 -7.838600 25.82459 
1 1 1    5   33    7 o  139.720   11.855  251.426   40.973  233.145   59.162  268.276   56.799  131.691   18.500  142.515   16.250 -10.82339 24.62389 
1 1 1    5   33    8 o  205.033   14.748  546.454   75.005  539.807   96.540  556.575  119.134  200.878   19.491  200.442   24.298 0.4358673 31.14895 
1 1 1    5   33    9 o  102.247   12.677  135.749   31.674  136.251   44.688  135.242   44.902  100.394   18.507   99.945   18.677 0.4491043 26.29354 
1 1 1    5   33   10 o   95.221   13.140  118.197   30.412  131.703   43.015  104.700   43.002   98.917   18.080   87.313   20.134 11.60468 27.06046 
1 1 1    5   33   11 o  113.256   11.355  164.736   31.682   96.967   45.812  226.856   43.861   83.711   21.726  132.408   13.452 -48.69707 25.55354 
1 1 1    5   33   12 o  161.879   11.277  334.653   45.301  340.258   71.935  330.969   58.317  160.409   18.285  159.717   14.790 0.6919098 23.51739 
1 1 1    5   33   13 o   49.873   19.946   18.633   37.610   0.0000   0.0000   18.633   37.610  ?   ?    49.873   19.946 0.000000 19.94575 
1 1 1    5   33   14 o  135.904   14.919  240.096   49.799   0.0000   0.0000  240.096   49.799  ?   ?   135.904   14.919 0.000000 14.91886 
1 1 1    5   33   15 o  136.094   18.902  246.008   62.504  246.008   62.504   0.0000   0.0000  136.094   18.902  ?   ?  0.000000 18.90207 
1 1 1    5   33   16 o  319.019   14.102  1303.30  112.341  1454.91  193.183  1225.83  138.091  329.014   23.671  306.443   18.126 22.57092 29.81387 
1 1 1    5   33   17 o  200.668   14.530  518.658   72.316  655.944  100.566  371.657  104.064  223.951   18.138  163.988   26.301 59.96339 31.94897 
1 1 1    5   33   18 o  224.747   11.865  643.409   66.352  699.844  114.397  614.798   81.453  230.293   20.094  218.378   15.028 11.91447 25.09166 
1 1 1    5   33   19 o  200.760   11.498  512.997   57.402  528.724   99.519  505.155   70.269  199.964   20.207  198.194   14.294 1.770065 24.75140 
1 1 1    5   33   20 o  174.546   11.200  387.713   48.561  374.461   84.329  394.288   59.398  167.871   20.545  175.223   13.683 -7.351486 24.68480 
1 1 1    5   33   21 o  178.024   11.094  403.076   49.072  507.811   86.851  353.961   59.476  197.204   17.829  165.686   14.521 31.51770 22.99451 
1 1 1    5   33   22 o  146.702   19.458  285.127   69.524   0.0000   0.0000  285.127   69.524  ?   ?   146.702   19.458 0.000000 19.45795 
1 1 1    5   33   23 o  175.835   11.346  393.605   49.554  430.488   85.845  375.173   60.687  180.757   19.317  170.661   14.374 10.09592 24.07828 
1 1 1    5   33   24 o   68.883   15.581   63.296   26.175   41.194   42.015   77.315   33.462   60.066   21.759   75.765   17.960 -15.69902 28.21343 
1 1 1    5   33   25 o  178.386   11.355  405.226   50.318  409.806   84.670  402.725   62.565  176.097   19.586  176.835   14.290 -0.7377014 24.24508 
1 1 1    5   33   26 o   99.807   16.635  131.805   40.002  161.985   50.312   79.940   65.956  110.048   18.994   78.750   27.385 31.29821 33.32743 
1 1 1    5   33   27 o   99.234   12.469  127.287   30.215  186.570   48.482   89.638   38.637  119.033   16.776   81.233   19.327 37.79934 25.59216 
1 1 1    5   33   28 o  115.732   11.826  172.083   33.697  205.304   52.474  148.770   43.958  124.665   17.324  105.840   17.224 18.82514 24.42917 
1 1 1    5   33   29 o  105.878   16.319  148.251   41.762   0.0000   0.0000  148.251   41.762  ?   ?   105.878   16.319 0.000000 16.31946 
1 1 1    5   33   30 o  198.273   11.607  502.435   57.218  748.097   92.118  348.119   73.010  240.044   15.450  162.024   18.369 78.01965 24.00254 
1 1 1    5   33   31 o   49.701   15.281   32.155   20.807   42.666   26.850   16.353   32.920   56.819   17.340   46.662   18.661 10.15680 25.47345 
1 1 1    5   33   32 o  109.133   13.638  155.546   36.354  133.613   40.755  240.982   80.435   99.841   16.952  130.133   25.664 -30.29200 30.75742 
1 1 1    5   33   33 o  140.369   12.061  254.240   41.867  336.676   63.701  191.550   55.550  159.732   16.194  118.614   19.427 41.11744 25.29117 
1 1 1    5   34    0 o  113.607   13.090  174.213   36.456  137.769   47.242  227.867   57.321   95.985   20.341  125.439   18.885 -29.45374 27.75594 
1 1 1    5   34    1 o  280.213   16.504  1081.82  114.978  925.545  147.440  1324.35  183.672  246.224   24.296  292.207   25.424 -45.98335 35.16666 
1 1 1    5   34    2 o  102.743   12.902  140.926   32.373   93.353   41.334  216.415   52.068   79.506   20.638  124.821   17.158 -45.31434 26.83899 
1 1 1    5   34    3 o   85.059   14.939   98.730   30.573  104.979   39.463   89.347   48.352   85.754   18.934   77.231   23.202 8.522697 29.94724 
1 1 1    5   34    4 o  120.324   12.599  190.542   37.294  170.198   51.166  213.601   54.473  109.992   19.334  124.303   18.079 -14.31107 26.46942 
1 1 1    5   34    5 o   36.551   14.798   8.9488   20.981 -15.5639   24.835   70.063   39.214   30.808   14.148   70.145   20.854 -39.33735 25.20058 
1 1 1    5   34    6 o   49.543   20.105   19.021   38.822   0.0000   0.0000   19.021   38.822  ?   ?    49.543   20.105 0.000000 20.10486 
1 1 1    5   34    7 o   85.245   14.582   97.262   29.925   96.924   40.134   97.685   44.910   83.137   19.643   82.787   21.523 0.3497086 29.13958 
1 1 1    5   34    8 o  148.654   11.483  284.985   42.296  239.306   62.778  322.954   57.236  132.192   19.612  156.709   14.801 -24.51711 24.57068 
1 1 1    5   34    9 o  146.325   11.800  276.237   42.749  271.162   64.211  280.277   57.292  141.696   18.596  145.464   16.039 -3.767349 24.55709 
1 1 1    5   34   10 o  176.988   14.022  407.633   61.467  365.265   77.825  477.886  100.215  164.549   19.307  186.548   21.931 -21.99857 29.21849 
1 1 1    5   34   11 o  315.092   13.259  1278.33  104.330  1035.63  174.709  1412.84  130.068  271.243   26.116  329.149   15.824 -57.90564 30.53621 
1 1 1    5   34   12 o  168.398   11.690  363.926   48.856  381.895   77.996  352.323   62.675  169.026   18.797  164.025   15.485 5.000717 24.35357 
1 1 1    5   34   13 o  132.025   15.699  229.193   50.743   0.0000   0.0000  229.193   50.743  ?   ?   132.025   15.699 0.000000 15.69861 
1 1 1    5   34   14 o  117.083   19.948  186.048   56.233  186.048   56.233   0.0000   0.0000  117.083   19.948  ?   ?  0.000000 19.94799 
1 1 1    5   34   15 o  202.232   14.943  530.843   74.931   0.0000   0.0000  530.843   74.931  ?   ?   202.232   14.943 0.000000 14.94335 
1 1 1    5   34   16 o  292.582   13.351  1097.63   97.549  1090.18  167.031  1101.49  120.172  282.811   23.874  290.591   16.629 -7.779999 29.09491 
1 1 1    5   34   17 o  102.884   12.975  137.415   32.594  201.273   55.614  104.006   40.226  122.628   18.757   87.449   18.967 35.17906 26.67518 
1 1 1    5   34   18 o  161.833   11.430  334.780   45.893  376.478   79.193  313.697   56.312  168.281   19.188  155.459   14.679 12.82162 24.15937 
1 1 1    5   34   19 o  103.219   16.209  140.961   40.404  150.486   55.908  130.547   58.457  104.472   22.119   96.452   24.286 8.020424 32.84869 
1 1 1    5   34   20 o  252.988   12.395  816.664   78.305  775.317  135.687  837.310   95.883  239.481   22.971  254.411   15.161 -14.92973 27.52317 
1 1 1    5   34   21 o  145.640   11.437  271.328   41.261  250.493   72.874  281.159   50.057  135.514   22.312  147.502   13.748 -11.98851 26.20731 
1 1 1    5   34   22 o   61.553   16.763   50.825   26.463   36.004   48.050   57.277   31.704   59.782   22.941   65.234   18.571 -5.451508 29.51534 
1 1 1    5   34   23 o  162.455   19.783  352.194   78.598   0.0000   0.0000  352.194   78.598  ?   ?   162.455   19.783 0.000000 19.78301 
1 1 1    5   34   24 o   89.186   13.929  104.327   30.008  131.299   49.311   88.465   37.816   97.880   20.815   80.551   19.091 17.32933 28.24431 
1 1 1    5   34   25 o   52.369   16.787   35.164   24.857   58.749   39.208   19.314   32.142   66.493   21.059   47.516   18.616 18.97736 28.10800 
1 1 1    5   34   26 o  160.629   11.587  330.378   46.167  326.279   75.246  332.852   58.464  156.044   19.753  159.995   14.801 -3.951035 24.68247 
1 1 1    5   34   27 o  122.754   15.983  198.599   47.834  243.273   60.765  125.812   77.563  134.915   18.525   93.377   29.625 41.53876 34.93988 
1 1 1    5   34   28 o  142.915   11.770  262.483   41.631  333.767   66.728  217.055   53.269  158.936   17.081  127.830   17.117 31.10582 24.18148 
1 1 1    5   34   29 o   92.273   13.262  111.542   29.681  146.737   45.411   85.292   39.217  104.241   18.102   78.529   19.957 25.71140 26.94335 
1 1 1    5   34   30 o  180.475   11.711  418.402   52.494  489.719   84.511  373.601   66.982  191.902   17.840  168.394   16.126 23.50800 24.04786 
1 1 1    5   34   31 o   35.381   14.189   8.5480   19.091   4.0987   24.257   15.790   30.946   36.936   15.520   45.246   18.094 -8.310268 23.83838 
1 1 1    5   34   32 o   89.298   13.368  105.169   28.893  148.314   39.415   55.060   42.477  105.533   15.411   64.570   21.996 40.96247 26.85756 
1 1 1    5   34   33 o  116.456   14.824  179.757   42.134  191.922   48.042  139.221   87.696  119.579   16.531   94.924   31.605 24.65469 35.66715 
1 1 1    5   34   34 o  138.957   14.257  254.598   48.772   0.0000   0.0000  254.598   48.772  ?   ?   138.957   14.257 0.000000 14.25725 
1 1 1    5   35    0 o   67.096   16.419   66.508   27.286   43.671   32.763  118.202   49.295   54.524   19.276   84.430   22.831 -29.90656 29.88048 
1 1 1    5   35    1 o   48.242   17.002   31.619   25.470   28.802   30.392   38.265   46.685   48.036   18.290   55.155   22.164 -7.119324 28.73601 
1 1 1    5   35    2 o  165.173   12.630  366.362   51.698  326.762   74.299  403.531   71.981  147.710   20.712  168.324   17.374 -20.61394 27.03448 
1 1 1    5   35    3 o   52.485   17.145   38.374   25.853   41.450   31.003   31.353   46.842   54.612   18.788   54.225   22.054 0.3874245 28.97192 
1 1 1    5   35    4 o   71.211   16.021   71.550   27.801   57.197   34.912   96.425   45.961   62.731   19.872   79.396   22.275 -16.66492 29.85139 
1 1 1    5   35    5 o   61.838   16.791   54.090   26.596   52.084   33.486   57.518   43.772   60.589   19.491   63.686   22.300 -3.097321 29.61736 
1 1 1    5   35    6 o   91.531   14.125  113.164   31.246  115.686   41.986  110.033   46.777   89.842   19.290   86.186   21.738 3.656387 29.06276 
1 1 1    5   35    7 o  166.566   21.880  398.079   88.806   0.0000   0.0000  398.079   88.806  ?   ?   166.566   21.880 0.000000 21.87967 
1 1 1    5   35    8 o  124.525   11.632  202.205   35.751  112.338   50.251  294.311   50.874   87.320   22.799  149.204   13.811 -61.88380 26.65592 
1 1 1    5   35    9 o  256.198   11.987  849.280   76.688  638.792  124.308  978.612   97.440  210.531   24.078  272.627   14.363 -62.09575 28.03624 
1 1 1    5   35   10 o  120.171   12.107  188.257   35.837  155.717   52.326  217.005   49.183  105.070   20.679  127.308   15.811 -22.23793 26.03115 
1 1 1    5   35   11 o   97.766   16.528  129.477   38.912  100.027   45.672  207.469   74.324   83.646   21.685  118.625   25.823 -34.97871 33.72030 
1 1 1    5   35   12 o  120.977   16.803  196.717   49.393   0.0000   0.0000  196.717   49.393  ?   ?   120.977   16.803 0.000000 16.80339 
1 1 1    5   35   13 o  145.017   19.433  286.591   68.602  286.591   68.602   0.0000   0.0000  145.017   19.433  ?   ?  0.000000 19.43261 
1 1 1    5   35   14 f   86.410   14.329   99.240   29.835   86.399   45.575  108.869   39.467   78.207   22.266   89.065   18.356 -10.85838 28.85681 
1 1 1    5   35   15 o   86.124   14.243   98.423   29.562   67.929   46.009  119.864   38.580   70.486   22.865   94.176   17.032 -23.69070 28.51072 
1 1 1    5   35   16 o  169.471   20.235  389.912   83.940   0.0000   0.0000  389.912   83.940  ?   ?   169.471   20.235 0.000000 20.23461 
1 1 1    5   35   17 o  197.587   11.825  501.463   58.075  483.062   99.638  510.930   71.471  187.965   21.621  198.044   14.554 -10.07886 26.06316 
1 1 1    5   35   18 o  126.385   12.144  206.401   37.854  245.914   65.731  186.793   46.303  134.369   20.216  118.702   16.031 15.66643 25.80026 
1 1 1    5   35   19 o  147.635   11.682  280.287   42.716  233.058   74.118  303.777   52.271  128.755   23.933  152.859   13.844 -24.10435 27.64845 
1 1 1    5   35   20 o  180.389   14.363  423.303   64.165  494.545   91.067  353.066   90.422  192.122   19.240  159.498   23.398 32.62399 30.29261 
1 1 1    5   35   21 f  146.987   11.628  277.726   42.331  175.210   73.455  328.699   51.797  109.719   26.994  159.375   13.132 -49.65582 30.01897 
1 1 1    5   35   22 o   68.855   16.504   64.345   28.007  104.608   51.231   47.182   33.448   85.996   23.284   59.977   19.497 26.01924 30.36931 
1 1 1    5   35   23 o  255.962   12.717  841.492   81.286  756.905  140.255  884.273   99.746  233.303   24.437  260.297   15.414 -26.99434 28.89178 
1 1 1    5   35   24 o  195.876   12.033  493.229   58.574  492.398  101.219  493.647   71.821  189.752   21.754  194.486   14.901 -4.734436 26.36856 
1 1 1    5   35   25 o  236.100   12.776  718.752   75.045  748.711  127.178  702.748   92.952  233.913   22.032  231.249   16.199 2.663269 27.34607 
1 1 1    5   35   26 o  136.521   12.067  240.788   40.715  264.657   65.267  225.583   52.094  139.792   19.204  130.303   16.371 9.489197 25.23508 
1 1 1    5   35   27 o   60.509   17.118   49.713   27.026   93.016   40.448   14.789   36.324   81.687   19.991   47.444   19.373 34.24274 27.83825 
1 1 1    5   35   28 o   60.077   19.674   47.778   34.034   51.086   39.310   37.877   68.013   62.415   21.161   65.203   26.553 -2.787933 33.95399 
1 1 1    5   35   29 o   54.447   16.782   39.516   25.078   59.172   36.193   21.363   34.781   65.625   20.150   48.952   19.307 16.67354 27.90650 
1 1 1    5   35   30 o   83.608   14.403   93.461   28.985  104.467   42.313   83.731   39.786   86.239   20.031   77.057   20.368 9.182236 28.56737 
1 1 1    5   35   31 o   89.302   14.186  106.354   30.577  159.121   44.047   57.274   42.480  108.393   16.818   65.081   21.998 43.31153 27.69033 
1 1 1    5   35   32 o   84.515   13.883   95.420   28.282   91.225   37.945  100.662   42.420   80.522   19.150   84.125   20.403 -3.603401 27.98231 
1 1 1    5   35   33 o  217.430   13.126  618.157   70.933  895.580  112.242  433.681   91.528  257.412   17.566  175.641   21.304 81.77109 27.61192 
1 1 1    5   35   34 o  204.457   16.206  561.363   82.067  638.427  104.578  437.827  132.406  214.573   19.738  162.926   33.657 51.64661 39.01825 
1 1 1    5   35   35 o   45.399   18.314   16.622   32.009   0.0000   0.0000   16.622   32.009  ?   ?    45.399   18.314 0.000000 18.31427 
1 1 1    5   36    0 o   48.786   21.828   15.901   54.617   0.0000   0.0000   15.901   54.617  ?   ?    48.786   21.828 0.000000 21.82758 
1 1 1    5   36    1 o   62.195   17.386   59.559   28.053   12.264   34.064  159.234   49.452   42.221   18.090   99.578   20.568 -57.35745 27.39128 
1 1 1    5   36    2 o  145.145   12.074  286.636   43.366  177.902   59.431  410.460   63.421  102.703   23.660  170.047   15.092 -67.34396 28.06348 
1 1 1    5   36    3 o   56.128   17.330   46.741   26.730   59.063   32.821   22.471   46.062   61.970   19.215   49.923   21.204 12.04704 28.61504 
1 1 1    5   36    4 o   80.149   18.788   96.741   36.950   94.086   40.342  110.564   92.060   77.775   20.487   76.295   30.960 1.479774 37.12458 
1 1 1    5   36    5 o  126.758   12.230  215.542   38.231  154.479   52.883  282.399   55.335   99.902   21.810  142.039   15.872 -42.13686 26.97359 
1 1 1    5   36    6 o  191.987   11.280  485.660   53.842  314.896   80.902  621.426   72.137  142.715   23.520  214.845   13.515 -72.13042 27.12652 
1 1 1    5   36    7 o  110.967   13.138  165.606   35.699  149.991   49.800  182.112   51.200  100.645   20.511  112.427   18.908 -11.78156 27.89624 
1 1 1    5   36    8 o   49.579   17.362   31.975   26.532   29.413   32.253   37.339   46.662   49.932   18.882   56.723   22.366 -6.791012 29.27036 
1 1 1    5   36    9 o  124.743   17.820  217.478   53.933   0.0000   0.0000  217.478   53.933  ?   ?   124.743   17.820 0.000000 17.82001 
1 1 1    5   36   10 o   92.176   14.088  114.661   31.399   75.072   44.742  153.077   44.074   71.378   22.485  104.871   17.442 -33.49242 28.45694 
1 1 1    5   36   11 o   56.016   20.546   39.291   37.630   0.0000   0.0000   39.291   37.630  ?   ?    56.016   20.546 0.000000 20.54582 
1 1 1    5   36   12 o  135.104   20.071  256.897   65.656  256.897   65.656   0.0000   0.0000  135.104   20.071  ?   ?  0.000000 20.07057 
1 1 1    5   36   13 o  198.187   14.316  519.282   70.373  427.062   93.108  642.162  107.477  173.298   22.012  214.722   20.284 -41.42496 29.93266 
1 1 1    5   36   14 o   85.226   15.016   98.214   30.791   99.226   47.481   97.479   40.449   82.511   22.447   82.841   19.819 -0.3302917 29.94435 
1 1 1    5   36   15 o   72.486   16.136   72.182   28.457   37.450   44.483   96.242   37.023   57.700   22.089   83.046   18.342 -25.34609 28.71213 
1 1 1    5   36   16 o  169.021   11.871  370.253   49.788  316.066   83.855  399.754   61.874  148.648   23.361  174.215   14.350 -25.56685 27.41616 
1 1 1    5   36   17 o  275.722   16.550  1012.30  113.427  991.154  162.027  1032.62  158.841  262.687   25.002  269.746   23.826 -7.058685 34.53613 
1 1 1    5   36   18 o  174.559   12.113  394.799   52.473  371.520   92.209  405.948   63.813  161.589   23.543  175.540   14.693 -13.95087 27.75141 
1 1 1    5   36   19 o  147.111   11.847  280.299   43.154  348.241   76.653  248.773   52.215  159.369   19.679  136.765   15.566 22.60452 25.09071 
1 1 1    5   36   20 o  183.656   11.726  435.542   53.498  292.636   92.538  507.281   65.565  140.408   27.376  197.289   13.387 -56.88034 30.47392 
1 1 1    5   36   21 o  161.334   14.691  342.806   58.539  342.734   82.850  342.878   82.724  156.691   21.761  156.758   21.716 -0.6684875E-01 30.74285 
1 1 1    5   36   22 o  129.633   12.250  218.477   39.184  240.424   69.413  208.212   47.472  130.689   22.054  125.050   15.537 5.639862 26.97743 
1 1 1    5   36   23 o  292.685   13.568  1113.26   99.170  822.024  170.126  1263.15  122.051  233.787   29.820  309.221   15.859 -75.43477 33.77499 
1 1 1    5   36   24 o  109.313   13.622  157.461   36.378  124.811   61.960  174.637   44.939   91.659   25.915  114.007   16.244 -22.34864 30.58566 
1 1 1    5   36   25 o   38.086   15.939   5.6196   25.419 -18.1707   42.082   19.286   31.895   41.251   18.742   46.763   18.474 -5.511337 26.31663 
1 1 1    5   36   26 o   69.527   22.805   67.408   45.722   0.0000   0.0000   67.408   45.722  ?   ?    69.527   22.805 0.000000 22.80507 
1 1 1    5   36   27 o   36.906   15.495   4.7716   24.145   11.615   35.289  -1.2516   33.107   45.512   18.891   40.358   17.565 5.153625 25.79474 
1 1 1    5   36   28 o  151.889   12.190  300.297   45.847  255.543   71.513  331.526   59.739  134.035   22.139  157.810   15.353 -23.77495 26.94157 
1 1 1    5   36   29 o  103.237   17.993  147.184   44.699  139.043   52.393  168.960   85.687   98.121   21.934  102.316   30.920 -4.195251 37.90990 
1 1 1    5   36   30 o   66.104   16.330   60.554   26.799   40.787   38.887   78.433   36.984   57.231   20.902   74.186   19.651 -16.95440 28.68906 
1 1 1    5   36   31 o  130.127   12.487  222.261   40.078  265.051   60.151  188.099   53.745  138.961   17.739  115.864   19.251 23.09666 26.17744 
1 1 1    5   36   32 o  123.038   13.723  201.245   41.444  383.324   60.831   43.516   56.617  169.664   14.497   62.041   24.581 107.6225 28.53752 
1 1 1    5   36   33 o  188.174   15.329  475.472   71.404  850.576   99.333   74.402  102.714  251.308   15.911   76.691   32.063 174.6169 35.79366 
1 1 1    5   36   34 o   41.585   18.277  -2.1067   36.634   0.0000   0.0000  -2.1067   36.634  ?   ?    41.585   18.277 0.000000 18.27712 
1 1 1    5   37    0 o   37.864   15.838   13.193   25.081  -6.3482   28.755   75.337   51.279   33.540   15.336   61.810   23.704 -28.27014 28.23253 
1 1 1    5   37    1 o   67.441   18.159   73.880   31.263   59.097   38.875  100.942   52.599   58.390   20.959   71.433   24.476 -13.04375 32.22395 
1 1 1    5   37    2 o   62.820   25.302   75.153   60.993   0.0000   0.0000   75.153   60.993  ?   ?    62.820   25.302 0.000000 25.30237 
1 1 1    5   37    3 o   35.305   15.099   6.2358   23.648 -16.1078   27.756   65.419   45.172   31.244   14.559   61.649   22.526 -30.40454 26.82155 
1 1 1    5   37    4 o   38.910   15.858   14.123   24.279   47.758   29.370 -58.4655   43.146   55.693   18.278   32.802   16.019 22.89087 24.30421 
1 1 1    5   37    5 o  121.677   13.224  205.171   39.534  161.723   53.519  257.350   58.650   99.497   22.114  130.676   18.489 -31.17891 28.82484 
1 1 1    5   37    6 o  108.293   13.476  162.376   35.655  118.851   48.853  211.986   52.157   84.916   22.629  119.636   18.017 -34.72047 28.92579 
1 1 1    5   37    7 o   63.072   17.337   59.120   28.153   66.819   37.106   48.677   43.218   65.521   20.450   57.964   21.872 7.557594 29.94286 
1 1 1    5   37    8 o   54.090   17.344   42.088   26.531   50.878   34.686   29.696   41.186   58.677   19.877   51.474   20.771 7.202999 28.74971 
1 1 1    5   37    9 o  127.453   12.537  218.255   39.385  167.452   58.338  260.802   53.389  103.053   23.226  136.568   15.956 -33.51519 28.17818 
1 1 1    5   37   10 o  221.138   24.158  758.033  131.238   0.0000   0.0000  758.033  131.238  ?   ?   221.138   24.158 0.000000 24.15849 
1 1 1    5   37   11 o  106.743   15.992  158.512   41.315  133.350   53.542  195.547   64.956   92.641   23.196  112.196   23.915 -19.55498 33.31654 
1 1 1    5   37   12 o  151.502   11.825  302.628   44.383  226.473   70.340  353.005   57.210  121.414   24.050  161.755   14.311 -40.34103 27.98599 
1 1 1    5   37   13 o   67.178   17.181   64.287   28.936   53.975   43.484   72.483   38.765   62.171   22.183   70.058   20.713 -7.887302 30.34943 
1 1 1    5   37   14 o  261.441   15.971  927.734  103.770  779.015  142.025  1098.04  151.985  225.976   25.621  274.269   22.386 -48.29291 34.02310 
1 1 1    5   37   15 o  130.186   12.571  223.932   40.359  212.313   67.900  230.279   50.187  118.981   23.685  130.051   15.776 -11.06998 28.45859 
1 1 1    5   37   16 o   70.177   17.356   69.550   30.246  101.301   50.505   51.793   37.768   81.914   23.479   61.153   20.742 20.76093 31.32873 
1 1 1    5   37   17 o  115.675   13.190  177.589   37.419  207.634   64.728  162.509   45.858  118.981   22.612  108.209   17.574 10.77160 28.63783 
1 1 1    5   37   18 f  231.733   12.595  703.162   72.612  553.375  125.053  779.351   89.187  190.537   27.041  241.848   14.839 -51.31090 30.84503 
1 1 1    5   37   19 f  208.118   21.971  619.085  112.458   0.0000   0.0000  619.085  112.458  ?   ?   208.118   21.971 0.000000 21.97068 
1 1 1    5   37   20 o  119.220   12.932  187.650   37.883  125.075   67.101  216.926   45.898   89.419   27.433  127.302   14.709 -37.88371 31.12731 
1 1 1    5   37   21 o  212.806   12.228  590.718   64.706  511.749  113.022  629.221   78.919  186.135   24.943  217.698   14.602 -31.56227 28.90243 
1 1 1    5   37   22 o   99.912   14.031  133.549   34.042  100.645   60.363  148.895   41.223   81.398   26.167  104.419   16.345 -23.02140 30.85281 
1 1 1    5   37   23 o   63.740   21.015   56.640   38.809   54.054   51.276   60.109   59.379   64.408   23.919   67.695   25.615 -3.287346 35.04631 
1 1 1    5   37   24 o  138.713   12.523  252.570   42.912  229.551   73.040  264.703   53.029  124.258   24.410  140.343   15.383 -16.08495 28.85270 
1 1 1    5   37   25 o   74.994   17.060   78.597   31.228   77.096   51.229   79.484   39.393   72.651   24.155   74.142   20.559 -1.491722 31.71950 
1 1 1    5   37   26 o   38.314   15.958   7.1746   25.307 -45.0385   38.180   48.093   33.799   33.610   16.076   59.235   19.616 -25.62509 25.36221 
1 1 1    5   37   27 o  122.332   22.080  217.600   64.970   0.0000   0.0000  217.600   64.970  ?   ?   122.332   22.080 0.000000 22.08019 
1 1 1    5   37   28 o  103.937   14.237  145.249   35.981  144.314   55.168  145.941   47.466   98.440   22.878  101.228   19.484 -2.787880 30.05037 
1 1 1    5   37   29 o   62.479   17.194   54.984   27.671   18.736   42.316   82.063   36.574   50.088   20.729   75.432   19.329 -25.34361 28.34273 
1 1 1    5   37   30 o  105.343   13.819  148.960   35.476  142.118   51.735  155.033   48.740   98.162   21.684  104.167   19.452 -6.005432 29.13047 
1 1 1    5   37   31 o   59.547   17.235   49.949   27.094   65.030   38.274   34.801   38.359   66.880   20.752   54.059   20.556 12.82146 29.20939 
1 1 1    5   37   32 o  109.445   13.265  160.212   35.514  147.788   50.492  172.377   49.960  100.456   20.812  110.103   18.849 -9.647461 28.07865 
1 1 1    5   37   33 o   57.598   21.311   43.215   40.628   0.0000   0.0000   43.215   40.628  ?   ?    57.598   21.311 0.000000 21.31076 
1 1 1    5   38    0 o   34.953   15.401   5.9972   26.161  -6.9132   29.891   48.268   54.086   33.173   15.337   51.358   22.399 -18.18460 27.14638 
1 1 1    5   38    1 o   54.538   18.684   51.548   30.648   38.981   37.380   77.322   53.532   49.021   19.786   60.166   23.882 -11.14560 31.01311 
1 1 1    5   38    2 f  138.320   13.293  277.172   45.349  167.167   61.334  409.836   67.355   89.208   25.963  161.751   16.926 -72.54235 30.99301 
1 1 1    5   38    3 o   67.214   26.185   99.514   63.314   0.0000   0.0000   99.514   63.314  ?   ?    67.214   26.185 0.000000 26.18511 
1 1 1    5   38    4 o   71.355   17.949   81.763   31.953   46.339   41.060  136.157   50.880   53.592   21.028   86.375   23.128 -32.78319 31.25842 
1 1 1    5   38    5 o   34.896   15.252   3.2655   25.199 -10.0881   30.747   30.587   43.980   34.152   15.705   49.542   20.862 -15.39056 26.11291 
1 1 1    5   38    6 o   95.233   14.979  132.073   34.447   88.333   46.043  187.681   51.915   70.403   22.875  108.324   19.926 -37.92062 30.33668 
1 1 1    5   38    7 o   42.633   17.524   18.133   29.968   30.172   32.597 -47.5913   76.164   47.932   18.757   45.866   22.135 2.066006 29.01311 
1 1 1    5   38    8 o   70.576   17.420   75.777   30.515   59.171   41.495   95.334   45.032   60.568   21.663   75.079   22.354 -14.51056 31.12859 
1 1 1    5   38    9 o   47.661   19.947   21.936   39.815   0.0000   0.0000   21.936   39.815  ?   ?    47.661   19.947 0.000000 19.94748 
1 1 1    5   38   10 o   55.265   21.064   43.196   40.336   43.196   40.336   0.0000   0.0000   55.265   21.064  ?   ?  0.000000 21.06358 
1 1 1    5   38   11 o  142.122   12.412  273.087   43.610  170.378   66.800  349.376   57.570   98.750   26.525  158.489   14.714 -59.73873 30.33307 
1 1 1    5   38   12 o   62.701   21.543   60.185   40.757   0.0000   0.0000   60.185   40.757  ?   ?    62.701   21.543 0.000000 21.54294 
1 1 1    5   38   13 o  120.578   12.871  196.682   38.156  117.016   60.267  249.980   49.294   82.847   26.095  134.346   14.947 -51.49937 30.07275 
1 1 1    5   38   14 o   89.878   15.178  112.913   32.853   47.289   51.655  157.486   42.572   59.720   23.537  105.320   16.748 -45.59933 28.88728 
1 1 1    5   38   15 o  119.489   13.486  193.404   39.536  213.246   64.761  181.616   49.917  117.633   22.870  112.119   18.472 5.514030 29.39813 
1 1 1    5   38   16 o  162.997   12.358  353.398   49.928  305.155   83.832  379.916   62.154  139.220   25.034  166.572   15.107 -27.35141 29.23853 
1 1 1    5   38   17 o  155.770   12.329  322.234   47.565  293.840   81.595  336.851   58.541  137.330   24.701  156.978   15.121 -19.64812 28.96166 
1 1 1    5   38   18 o   52.765   18.085   37.783   28.715   36.415   50.502   38.437   34.907   57.083   23.012   54.197   19.802 2.886028 30.35941 
1 1 1    5   38   19 o   73.472   17.642   77.594   31.960   94.767   61.074   71.117   37.506   77.033   26.375   69.264   20.344 7.769241 33.30931 
1 1 1    5   38   20 o  131.788   21.854  257.297   69.402   0.0000   0.0000  257.297   69.402  ?   ?   131.788   21.854 0.000000 21.85427 
1 1 1    5   38   21 o   33.765   14.994  -5.0925   25.274 -34.4550   47.251   6.6752   29.913   39.868   18.713   40.351   17.110 -0.4830132 25.35574 
1 1 1    5   38   22 o  117.188   13.167  183.754   37.866  127.766   66.553  210.553   46.044   88.224   27.363  124.238   15.155 -36.01423 31.27973 
1 1 1    5   38   23 o  127.849   12.920  217.817   40.683  155.073   69.706  250.232   50.102   97.176   27.492  135.647   15.044 -38.47107 31.33908 
1 1 1    5   38   24 o   45.174   19.122   10.637   37.255   47.197   46.859 -52.1731   61.420   60.083   22.750   43.584   20.719 16.49880 30.77041 
1 1 1    5   38   25 o  128.945   13.190  222.178   41.873  194.104   69.461  238.204   52.481  110.977   25.588  131.338   16.356 -20.36152 30.36871 
1 1 1    5   38   26 o   31.443   14.521 -17.0290   26.689 -59.6406   43.410   8.8650   33.840   34.087   16.513   43.027   18.219 -8.940155 24.58877 
1 1 1    5   38   27 o  110.889   14.081  166.465   38.112  166.476   58.694  166.457   50.114  104.472   23.111  107.358   19.407 -2.885796 30.17845 
1 1 1    5   38   28 o   95.195   24.348  142.099   58.110   0.0000   0.0000  142.099   58.110  ?   ?    95.195   24.348 0.000000 24.34766 
1 1 1    5   38   29 o  194.689   12.476  502.101   60.338  358.001   95.354  598.334   77.923  150.423   26.345  210.012   14.956 -59.58836 30.29405 
1 1 1    5   38   30 o   58.324   18.111   48.515   29.146   37.507   41.490   59.240   40.954   55.272   21.290   63.684   21.599 -8.411545 30.32789 
1 1 1    5   38   31 o   45.025   17.024   23.153   26.217   40.415   36.562   4.8832   37.613   55.283   20.256   43.446   18.815 11.83689 27.64580 
1 1 1    5   38   32 o   45.065   19.287   9.1324   38.637   0.0000   0.0000   9.1324   38.637  ?   ?    45.065   19.287 0.000000 19.28655 
1 1 1    5   38   33 o   59.014   27.807 -31.9175  106.128   0.0000   0.0000 -31.9175  106.128  ?   ?    59.014   27.807 0.000000 27.80714 
1 1 1    5   39    0 o   34.684   16.006   0.4592   32.338   4.2682   33.890 -38.3051  108.113   36.052   16.545   43.485   21.888 -7.433731 27.43798 
1 1 1    5   39    1 o   71.859   21.932  108.083   42.954   90.029   46.542  211.839  111.573   62.510   22.861   65.584   30.070 -3.073563 37.77333 
1 1 1    5   39    2 o  117.936   15.199  218.097   43.721  138.715   57.827  324.030   66.801   75.717   25.665  133.267   20.748 -57.54977 33.00302 
1 1 1    5   39    3 o   95.516   17.043  148.207   39.161   97.025   51.490  218.434   60.314   65.978   24.059  105.792   23.447 -39.81335 33.59416 
1 1 1    5   39    4 o   30.558   14.253 -12.5191   26.702 -26.4614   32.323   17.440   47.382   30.801   14.748   44.813   20.168 -14.01215 24.98535 
1 1 1    5   39    5 o   76.713   27.659  141.152   67.776   0.0000   0.0000  141.152   67.776  ?   ?    76.713   27.659 0.000000 27.65898 
1 1 1    5   39    6 o   84.135   17.291  111.898   35.115   22.348   46.883  226.327   52.996   46.936   20.651  118.731   18.475 -71.79466 27.70950 
1 1 1    5   39    7 o   57.781   18.733   55.008   30.888   46.029   41.221   66.504   46.643   53.429   21.036   60.363   22.735 -6.933964 30.97364 
1 1 1    5   39    8 o   56.101   22.701   51.576   49.343   0.0000   0.0000   51.576   49.343  ?   ?    56.101   22.701 0.000000 22.70097 
1 1 1    5   39    9 o   63.318   22.779   71.019   45.943   71.019   45.943   0.0000   0.0000   63.318   22.779  ?   ?  0.000000 22.77891 
1 1 1    5   39   10 o   66.354   18.474   69.820   31.739   97.376   46.684   46.135   43.281   74.289   22.897   54.998   21.587 19.29113 31.46824 
1 1 1    5   39   11 o   96.353   15.408  134.890   35.824   70.213   53.265  188.310   48.408   63.617   24.215  111.422   18.012 -47.80516 30.17975 
1 1 1    5   39   12 o  114.526   13.741  183.798   38.514   66.341   59.254  269.715   50.678   62.976   25.085  137.571   14.995 -74.59572 29.22506 
1 1 1    5   39   13 o   97.327   25.195  166.000   61.713   0.0000   0.0000  166.000   61.713  ?   ?    97.327   25.195 0.000000 25.19497 
1 1 1    5   39   14 o   62.591   18.673   60.138   31.397   37.452   50.216   74.699   40.231   54.833   22.628   68.031   21.303 -13.19821 31.07850 
1 1 1    5   39   15 o   92.993   15.828  124.121   35.439   89.200   59.071  143.758   44.297   71.518   25.816   97.706   18.838 -26.18809 31.95849 
1 1 1    5   39   16 o   78.983   17.311   92.051   33.202   57.175   57.061  109.902   40.825   62.030   24.645   84.669   19.682 -22.63906 31.54020 
1 1 1    5   39   17 o   75.349   21.506   90.101   42.461  108.772   56.910   66.657   63.771   79.593   25.389   65.517   26.047 14.07545 36.37373 
1 1 1    5   39   18 o   78.922   17.212   91.097   32.967  155.705   59.067   61.865   39.731   97.243   24.372   63.433   21.275 33.80977 32.35143 
1 1 1    5   39   19 o   65.300   18.474   63.727   31.477 -15.8887   54.624  103.308   38.515   45.301   20.869   83.071   18.981 -37.76978 28.21045 
1 1 1    5   39   20 o   63.501   18.236   59.815   30.441   34.278   54.922   71.139   36.573   56.318   23.487   68.275   20.100 -11.95668 30.91361 
1 1 1    5   39   21 o   59.300   18.706   51.699   30.958   27.623   58.826   60.921   36.407   55.715   23.820   63.543   20.311 -7.828804 31.30352 
1 1 1    5   39   22 o   47.916   18.281   27.554   30.403   32.566   56.947   25.556   35.956   56.557   23.774   48.827   19.511 7.730419 30.75516 
1 1 1    5   39   23 o   31.474   14.549 -16.3333   26.878  -7.7603   47.299 -20.4217   32.664   44.217   20.002   34.211   15.892 10.00655 25.54659 
1 1 1    5   39   24 o   78.438   17.686   89.739   33.816   62.438   56.894  104.652   42.049   64.972   24.956   82.989   20.428 -18.01701 32.25026 
1 1 1    5   39   25 o   56.420   21.187   43.024   40.450   42.264   49.565   44.540   69.995   57.811   22.970   62.121   26.248 -4.309948 34.87883 
1 1 1    5   39   26 o  142.178   13.403  273.578   47.024  219.226   77.177  305.669   59.302  113.803   27.470  147.652   16.358 -33.84983 31.97203 
1 1 1    5   39   27 o  110.207   15.197  168.715   40.710  130.543   63.151  195.856   53.251   87.675   26.556  115.694   19.098 -28.01987 32.71007 
1 1 1    5   39   28 o  133.507   13.755  242.446   45.202  192.614   68.646  280.594   60.062  108.237   25.768  140.311   17.524 -32.07398 31.16223 
1 1 1    5   39   29 o  142.017   18.762  292.442   64.909   0.0000   0.0000  292.442   64.909  ?   ?   142.017   18.762 0.000000 18.76192 
1 1 1    5   39   30 o   54.880   19.470   41.924   33.454   11.135   43.239   87.841   52.804   47.031   20.270   73.651   24.525 -26.61953 31.81728 
1 1 1    5   39   31 o   92.836   23.184  136.846   53.587   0.0000   0.0000  136.846   53.587  ?   ?    92.836   23.184 0.000000 23.18429 
1 1 1    5   39   32 o  109.240   21.441  182.226   56.402   0.0000   0.0000  182.226   56.402  ?   ?   109.240   21.441 0.000000 21.44147 
1 1 1    5   40    1 o   50.308   20.543   60.841   40.845   57.237   43.616   86.532  116.452   48.661   20.649   47.484   23.731 1.177826 31.45662 
1 1 1    5   40    2 o   40.765   18.044   23.482   36.311   14.617   38.727   87.936  104.424   39.044   17.832   49.978   24.513 -10.93369 30.31292 
1 1 1    5   40    3 o   36.465   16.324   9.4947   30.594   6.8348   37.382   14.890   53.240   37.744   17.342   42.319   19.863 -4.574993 26.36853 
1 1 1    5   40    4 o   25.810   12.629 -35.8435   27.214 -45.9601   32.374 -11.4757   50.245   27.180   13.394   38.554   18.442 -11.37433 22.79216 
1 1 1    5   40    5 o   32.153   15.035 -10.6574   30.013 -10.1822   37.691 -11.4808   49.614   35.454   16.664   38.994   18.561 -3.540066 24.94366 
1 1 1    5   40    6 o   39.574   17.507   11.753   34.137   53.357   42.577 -63.1247   57.119   53.101   21.227   35.652   17.610 17.44973 27.58113 
1 1 1    5   40    7 o   69.452   24.581  105.584   53.290   0.0000   0.0000  105.584   53.290  ?   ?    69.452   24.581 0.000000 24.58055 
1 1 1    5   40    8 o   47.538   20.457   29.723   43.901   29.723   43.901   0.0000   0.0000   47.538   20.457  ?   ?  0.000000 20.45667 
1 1 1    5   40    9 o   75.668   18.892   95.551   35.588   35.232   50.669  154.277   49.996   50.440   21.840   93.000   21.892 -42.55952 30.92323 
1 1 1    5   40   10 o   57.080   21.246   56.757   40.502   83.749   47.562 -14.4667   77.258   66.147   23.241   47.680   22.822 18.46706 32.57284 
1 1 1    5   40   11 o   54.763   19.096   48.733   32.083  -4.4028   47.475   93.394   43.525   42.088   19.413   72.046   22.093 -29.95739 29.41019 
1 1 1    5   40   12 f   55.341   19.030   49.226   31.805   58.153   48.513   42.497   42.120   58.265   22.859   52.910   21.126 5.355476 31.12623 
1 1 1    5   40   13 o   70.017   19.073   79.400   34.252   68.847   54.046   86.484   44.281   61.970   24.179   69.900   22.406 -7.930008 32.96411 
1 1 1    5   40   14 o   62.695   19.396   63.670   33.463   42.710   54.739   76.177   42.285   55.177   23.257   66.488   21.937 -11.31104 31.97071 
1 1 1    5   40   15 o  120.624   25.467  259.099   74.303   0.0000   0.0000  259.099   74.303  ?   ?   120.624   25.467 0.000000 25.46658 
1 1 1    5   40   16 o  157.456   13.245  344.548   51.594  304.737   88.748  364.872   63.411  126.462   28.753  158.079   16.297 -31.61758 33.05076 
1 1 1    5   40   17 o   74.369   18.697   86.099   34.685  116.827   61.776   71.952   41.916   78.538   26.528   65.786   21.848 12.75214 34.36626 
1 1 1    5   40   18 f   70.756   22.076   83.499   43.248   41.505   59.407  130.851   63.083   56.885   24.116   83.531   26.739 -26.64549 36.00814 
1 1 1    5   40   19 o  113.318   14.560  181.196   40.249  129.601   70.291  206.365   49.094   81.498   28.275  118.606   17.067 -37.10793 33.02643 
1 1 1    5   40   20 o  107.989   14.690  164.634   38.586  107.709   68.500  191.091   46.700   75.521   27.718  114.484   16.838 -38.96326 32.43110 
1 1 1    5   40   21 o   57.297   18.841   49.519   31.201   65.918   57.228   42.583   37.219   63.954   24.901   54.529   20.353 9.424969 32.16031 
1 1 1    5   40   22 f   48.855   18.499   31.100   30.983   33.368   56.363   30.117   37.089   55.213   23.453   49.923   19.859 5.290478 30.73138 
1 1 1    5   40   23 o   52.120   21.641   29.578   46.336   0.0000   0.0000   29.578   46.336  ?   ?    52.120   21.641 0.000000 21.64094 
1 1 1    5   40   24 o  114.225   14.950  183.419   41.621  111.761   69.751  223.042   51.867   77.624   28.048  123.950   17.222 -46.32542 32.91354 
1 1 1    5   40   25 o   56.070   19.485   46.232   33.389   46.229   53.927   46.234   42.520   58.496   23.710   56.927   21.643 1.568268 32.10299 
1 1 1    5   40   26 o   66.412   19.595   67.934   34.725   95.843   56.601   51.089   43.974   74.582   25.391   58.894   22.095 15.68855 33.65879 
1 1 1    5   40   27 o   63.041   22.867   61.968   46.428   88.681   53.736 -16.6948   92.211   72.444   24.740   55.298   26.015 17.14645 35.90023 
1 1 1    5   40   28 f  188.258   13.390  483.675   62.538  381.551   98.026  553.770   81.212  148.981   27.357  197.020   16.663 -48.03900 32.03202 
1 1 1    5   40   29 o   95.899   17.278  134.197   39.854   64.438   57.616  198.194   55.186   64.289   24.998  114.264   20.073 -49.97464 32.05941 
1 1 1    5   40   30 o  163.847   19.529  401.476   78.328   0.0000   0.0000  401.476   78.328  ?   ?   163.847   19.529 0.000000 19.52855 
1 1 1    5   40   31 o   84.084   26.183  125.021   60.870   0.0000   0.0000  125.021   60.870  ?   ?    84.084   26.183 0.000000 26.18345 
1 1 1    5   41    4 f   67.746   23.658  122.442   49.250  104.863   54.838  195.747  111.984   58.634   23.857   55.865   26.929 2.769520 35.97712 
1 1 1    5   41    5 o   34.067   15.888  -1.9749   33.165  -8.6008   42.815   7.9648   52.440   35.785   17.091   40.271   19.144 -4.485363 25.66288 
1 1 1    5   41    6 o   61.121   24.543  103.953   57.195   0.0000   0.0000  103.953   57.195  ?   ?    61.121   24.543 0.000000 24.54276 
1 1 1    5   41    7 o   32.666   15.862 -31.8374   40.685 -31.8374   40.685   0.0000   0.0000   32.666   15.862  ?   ?  0.000000 15.86219 
1 1 1    5   41    8 o   42.082   19.982  -0.4171   56.814   0.0000   0.0000  -0.4171   56.814  ?   ?    42.082   19.982 0.000000 19.98162 
1 1 1    5   41    9 o   76.314   19.639  104.837   37.645   0.9208   53.942  203.502   52.561   42.294   19.897  106.431   20.520 -64.13685 28.58267 
1 1 1    5   41   10 o   45.038   18.392   29.619   32.743  -2.9909   46.612   61.382   46.003   40.325   18.816   55.823   22.145 -15.49843 29.05926 
1 1 1    5   41   11 f  120.427   15.524  222.476   45.597  117.780   68.606  305.314   61.025   68.422   27.075  136.413   18.383 -67.99081 32.72558 
1 1 1    5   41   12 o   95.814   17.766  147.693   40.942  107.985   63.004  176.717   53.865   68.414   26.266   98.446   22.414 -30.03152 34.52891 
1 1 1    5   41   13 o   33.521   15.569 -11.9929   31.328 -19.4951   48.808  -6.7366   40.854   39.356   18.639   38.753   17.922 0.6025658 25.85701 
1 1 1    5   41   14 o   53.379   19.732   46.820   34.817 -28.7375   57.618   90.278   43.697   41.158   19.703   69.957   22.240 -28.79855 29.71242 
1 1 1    5   41   15 o   81.249   19.087  107.944   38.067   48.111   64.324  140.195   47.225   55.721   24.361   90.353   21.281 -34.63127 32.34740 
1 1 1    5   41   16 o   69.779   25.338   97.348   57.025   0.0000   0.0000   97.348   57.025  ?   ?    69.779   25.338 0.000000 25.33800 
1 1 1    5   41   17 o   40.962   17.476   13.004   31.547   10.754   57.595   13.969   37.706   48.173   21.902   43.393   18.815 4.780033 28.87356 
1 1 1    5   41   18 o   59.562   20.261   58.564   36.039   43.883   71.440   63.576   41.739   56.924   25.247   61.035   21.738 -4.111740 33.31566 
1 1 1    5   41   19 o   41.819   17.578   15.248   31.129   22.879   56.586   11.937   37.276   50.865   22.519   43.015   18.679 7.849968 29.25756 
1 1 1    5   41   20 o   75.256   22.762   99.103   46.422   65.960   64.362  135.039   67.018   61.883   25.584   81.528   27.630 -19.64492 37.65602 
1 1 1    5   41   21 o   49.034   18.857   32.991   32.510   23.200   58.981   37.264   38.964   51.880   22.978   51.715   20.423 0.1650429 30.74251 
1 1 1    5   41   22 o   71.938   19.372   82.540   35.577  101.572   63.095   73.668   43.078   72.557   26.606   65.921   22.153 6.635933 34.62089 
1 1 1    5   41   23 o   40.871   17.547   9.9202   32.167   17.779   54.654   5.7554   39.788   50.097   22.157   42.754   18.908 7.342323 29.12836 
1 1 1    5   41   24 o   48.546   21.305   16.231   49.612   0.0000   0.0000   16.231   49.612  ?   ?    48.546   21.305 0.000000 21.30466 
1 1 1    5   41   25 o  101.352   17.304  153.101   42.223  105.452   68.206  182.707   53.763   73.607   27.537  107.143   20.844 -33.53604 34.53650 
1 1 1    5   41   26 o   55.603   19.921   46.997   35.103   45.317   57.327   48.005   44.400   57.319   23.958   56.626   21.965 0.6930542 32.50275 
1 1 1    5   41   27 o  105.417   16.966  164.163   43.146  157.555   67.542  168.719   56.080   90.961   27.444  100.717   22.825 -9.756279 35.69530 
1 1 1    5   41   28 o   73.203   24.510   95.300   52.730  132.476   61.042 -13.9966  104.666   84.557   26.202   56.037   26.752 28.51983 37.44627 
1 1 1    5   41   29 o   83.756   24.998  125.764   56.264   0.0000   0.0000  125.764   56.264  ?   ?    83.756   24.998 0.000000 24.99810 
1 1 1    5   41   30 f  116.559   23.634  228.167   66.437   0.0000   0.0000  228.167   66.437  ?   ?   116.559   23.634 0.000000 23.63397 
1 1 1    5   42    7 o   42.027   18.320   31.541   36.141   15.901   50.010   48.639   52.290   40.095   18.952   45.855   20.856 -5.759583 28.18093 
1 1 1    5   42    8 o   42.073   18.307   29.059   35.952   51.740   51.410   7.3505   50.296   47.642   21.256   39.628   18.812 8.014137 28.38516 
1 1 1    5   42    9 o   30.368   14.783 -31.2350   35.919 -62.6039   46.201   16.698   57.111   30.687   15.274   42.713   20.209 -12.02629 25.33207 
1 1 1    5   42   10 o   57.202   23.138   80.822   51.243   0.0000   0.0000   80.822   51.243  ?   ?    57.202   23.138 0.000000 23.13832 
1 1 1    5   42   11 o   31.802   15.147 -18.4041   33.158 -46.4933   49.759   4.0303   44.470   34.194   16.802   39.712   18.479 -5.518097 24.97559 
1 1 1    5   42   12 o   43.743   18.667   26.856   36.007   2.4771   56.023   44.014   47.000   42.479   20.073   49.378   21.206 -6.898800 29.19948 
1 1 1    5   42   13 o   72.174   24.395  116.587   52.243  128.641   66.728   97.496   83.975   69.284   26.912   58.923   26.653 10.36102 37.87660 
1 1 1    5   42   14 o   58.306   20.701   64.505   37.825   21.289   61.320   91.048   48.058   47.360   21.921   65.507   23.326 -18.14776 32.00964 
1 1 1    5   42   15 o   42.710   18.286   20.492   34.761   66.996   59.784  -3.2591   42.726   56.852   24.152   39.364   18.248 17.48815 30.27020 
1 1 1    5   42   16 o   60.379   20.581   66.615   37.187   7.4407   64.357   96.275   45.563   46.724   21.901   69.985   22.756 -23.26151 31.58348 
1 1 1    5   42   17 o   48.073   19.316   34.658   35.456   21.186   62.368   41.090   43.097   48.962   22.461   50.889   20.978 -1.927601 30.73356 
1 1 1    5   42   18 o   35.273   16.222  -7.3528   32.810  -7.5366   61.917  -7.2811   38.689   44.816   21.154   37.803   17.467 7.013786 27.43394 
1 1 1    5   42   19 o   77.327   19.873  101.611   38.582  100.477   68.957  102.128   46.551   66.641   26.882   73.583   22.895 -6.942032 35.30999 
1 1 1    5   42   20 o   63.354   20.395   69.769   36.659   25.185   66.611   89.140   43.906   51.378   23.434   69.575   22.312 -18.19780 32.35699 
1 1 1    5   42   21 o   40.226   18.614  -7.8315   44.166  -6.9225   59.684  -8.9316   65.662   45.105   21.126   46.278   21.826 -1.173611 30.37607 
1 1 1    5   42   22 o   38.163   17.059   1.7301   33.281   77.283   59.239 -33.1134   40.229   63.003   25.086   34.339   16.445 28.66381 29.99625 
1 1 1    5   42   23 o   55.966   20.289   51.605   36.541   29.690   62.332   63.080   45.103   52.299   23.365   59.867   22.394 -7.567928 32.36316 
1 1 1    5   42   24 o   32.551   15.407 -23.9827   33.252 -56.5519   54.875  -5.0844   41.801   37.414   18.225   40.201   18.422 -2.786392 25.91390 
1 1 1    5   42   25 o   44.495   18.777   19.907   35.748   16.962   57.853   21.727   45.467   49.328   22.235   47.563   20.642 1.764881 30.33906 
1 1 1    5   42   26 o   67.655   25.519   90.052   58.814   0.0000   0.0000   90.052   58.814  ?   ?    67.655   25.519 0.000000 25.51855 
1 1 1    5   42   27 o   62.279   21.187   66.405   39.410   66.280   61.890   66.490   51.113   60.835   25.115   61.118   23.606 -0.2829247 34.46704 
1 1 1    5   42   28 o   71.686   24.925   99.177   54.636   0.0000   0.0000   99.177   54.636  ?   ?    71.686   24.925 0.000000 24.92478 
1 1 1    5   42   29 o   62.687   29.593   67.078  121.233   0.0000   0.0000   67.078  121.233  ?   ?    62.687   29.593 0.000000 29.59337 
1 1 1    5   43   12 o   51.051   20.568   58.644   40.315   33.046   64.908   74.721   51.440   44.875   21.322   53.303   22.510 -8.428074 31.00569 
1 1 1    5   43   13 o   60.747   21.803   84.524   42.066  125.158   69.735   61.280   52.743   61.204   26.044   50.801   22.138 10.40285 34.18204 
1 1 1    5   43   14 o   36.429   17.002  -1.4636   38.085   27.496   60.822 -20.1416   48.847   45.398   21.283   36.583   17.672 8.814716 27.66385 
1 1 1    5   43   15 o   40.061   18.053   13.792   38.109   28.699   64.548   5.8155   47.216   46.549   21.856   40.496   18.910 6.053261 28.90112 
1 1 1    5   43   16 o   43.037   18.785   24.107   38.112 -65.8543   65.203   70.793   46.972   36.910   18.334   56.668   22.409 -19.75800 28.95388 
1 1 1    5   43   17 o   39.823   18.517   1.5618   44.513   0.0000   0.0000   1.5618   44.513  ?   ?    39.823   18.517 0.000000 18.51666 
1 1 1    5   43   18 o  102.246   18.793  178.904   46.216   43.303   78.665  250.379   57.112   51.304   24.101  119.420   19.848 -68.11531 31.22206 
1 1 1    5   43   19 o   35.946   17.519 -41.8427   50.887   0.0000   0.0000 -41.8427   50.887  ?   ?    35.946   17.519 0.000000 17.51907 
1 1 1    5   43   20 o   48.019   19.610   36.728   37.222   31.311   66.878   39.159   44.803   49.777   22.988   49.321   20.928 0.4562035 31.08752 
1 1 1    5   43   21 o   56.319   20.769   58.816   38.526 -43.5807   68.761  105.668   46.512   41.172   20.131   72.681   22.928 -31.50853 30.51133 
1 1 1    5   43   22 o   88.898   20.051  137.363   43.453  132.722   74.189  139.786   53.611   70.660   28.093   82.793   24.324 -12.13300 37.16050 
1 1 1    5   43   23 o   34.344   16.762 -48.5611   47.068 -36.7561   58.864 -69.4912   78.379   39.682   19.225   41.506   20.526 -1.824306 28.12273 
1 1 1    5   43   24 o   33.503   15.951 -24.2168   36.678 -18.1011   60.904 -27.6971   45.944   42.648   20.373   36.765   17.598 5.882885 26.92134 
1 1 1    5   43   25 o   44.045   18.949   20.972   37.652   51.610   61.018   2.1328   47.848   54.485   23.776   42.429   19.541 12.05519 30.77581 
1 1 1    5   43   26 o   43.629   18.954   18.533   38.417   11.985   61.784   22.661   49.052   47.386   21.958   46.984   20.875 0.4026146 30.29757 
1 1 1    5   43   27 o   50.809   22.707   33.410   58.934   0.0000   0.0000   33.410   58.934  ?   ?    50.809   22.707 0.000000 22.70728 
1 1 1    5   43   28 o   46.469   21.092   15.815   53.126   0.0000   0.0000   15.815   53.126  ?   ?    46.469   21.092 0.000000 21.09170 
1 1 1    6  -35    0 o   87.664   26.067  161.761   61.261  198.423   91.970  132.521   82.135   81.821   31.647   70.085   28.933 11.73594 42.87947 
1 1 1    6  -35    1 o   48.071   21.527   28.369   53.253   59.971   80.242   3.4952   71.190   55.347   25.422   46.888   22.294 8.458820 33.81260 
1 1 1    6  -34    0 o   38.424   18.107 -22.2591   45.025 -23.3639   67.846 -21.3895   60.188   45.635   21.717   43.782   20.724 1.852650 30.01904 
1 1 1    6  -34    1 o   35.022   16.932 -42.8781   45.075  -7.2568   68.002 -70.7951   60.200   47.132   22.224   37.553   18.458 9.578495 28.88932 
1 1 1    6  -34    2 o   43.864   20.054   5.4637   49.139   1.4306   72.541   8.8837   66.799   48.350   22.846   48.348   22.548 0.2262115E-02 32.09882 
1 1 1    6  -34    3 o   54.242   22.796   53.110   52.339   76.236   77.284   33.518   71.134   58.764   26.152   51.570   23.778 7.194221 35.34573 
1 1 1    6  -33    0 o   56.925   16.453   48.393   24.708   46.025   27.107   60.026   60.080   55.293   17.510   61.530   24.996 -6.237320 30.51893 
1 1 1    6  -33    1 o   59.778   22.822   58.502   47.399   76.912   69.842   42.782   64.536   65.032   26.744   56.982   24.661 8.050388 36.37859 
1 1 1    6  -33    2 o   54.173   22.168   42.871   47.689   74.219   69.473   14.938   65.580   63.310   26.411   51.078   23.280 12.23173 35.20608 
1 1 1    6  -33    3 o   44.378   19.992   7.1943   46.691   26.884   67.983 -10.3856   64.238   52.718   23.901   46.150   21.712 6.568047 32.29028 
1 1 1    6  -33    4 o   45.905   20.454   16.079   47.434   37.551   68.268  -3.9641   65.957   53.600   24.158   46.707   21.982 6.893005 32.66167 
1 1 1    6  -32    0 o   33.832   13.851   7.8548   18.631   6.2979   19.842   19.449   54.147   33.899   14.126   52.301   22.612 -18.40203 26.66128 
1 1 1    6  -32    1 o   64.290   15.951   60.258   25.486   63.105   28.270   47.903   58.889   65.189   17.139   59.617   24.542 5.571777 29.93454 
1 1 1    6  -32    2 o   30.168   13.011   1.3774   17.840   6.9105   18.836 -46.8034   55.583   33.226   13.797   40.117   19.244 -6.891140 23.67856 
1 1 1    6  -32    3 o   45.374   19.941   10.709   43.605   6.0243   62.188   15.239   61.158   49.786   22.683   51.204   22.990 -1.418060 32.29610 
1 1 1    6  -32    4 o   49.536   22.586   9.0040   61.808   0.0000   0.0000   9.0040   61.808  ?   ?    49.536   22.586 0.000000 22.58599 
1 1 1    6  -32    5 o   43.680   20.762 -24.9256   61.642 -24.9256   61.642   0.0000   0.0000   43.680   20.762  ?   ?  0.000000 20.76163 
1 1 1    6  -32    6 o   53.660   22.440   44.708   50.327  114.777   70.546 -27.9087   71.817   70.983   27.644   45.281   21.761 25.70228 35.18153 
1 1 1    6  -31    0 o   38.304   15.038   13.507   21.009   9.8889   21.280  152.971  132.123   36.768   14.897   89.471   36.788 -52.70332 39.69001 
1 1 1    6  -31    1 o   96.912   14.428  128.859   33.853   99.552   39.502  209.899   65.689   81.968   19.569  116.640   23.367 -34.67217 30.47892 
1 1 1    6  -31    2 o   35.638   14.274   10.627   19.295   13.418   20.670  -8.2899   53.809   37.736   14.884   46.636   21.190 -8.899433 25.89493 
1 1 1    6  -31    3 o   39.536   15.015   17.609   20.451   19.581   22.031   5.3149   54.999   41.171   15.597   49.171   21.959 -7.999401 26.93386 
1 1 1    6  -31    4 o   46.195   16.078   29.212   22.738   15.803   24.532  110.949   60.568   40.177   16.094   78.342   26.268 -38.16585 30.80648 
1 1 1    6  -31    5 o   40.198   18.540 -13.0187   43.293 -11.5335   60.141 -14.6161   62.371   46.504   21.590   46.701   21.783 -0.1972046 30.66917 
1 1 1    6  -31    6 o   36.250   17.163 -28.0482   41.324 -51.0864   58.843  -5.6292   58.047   40.105   19.379   46.246   21.378 -6.141376 28.85432 
1 1 1    6  -31    7 o   45.516   20.092   13.346   44.723   16.779   62.727   9.7964   63.781   50.566   22.938   49.590   22.736 0.9757729 32.29709 
1 1 1    6  -31    8 o   45.436   20.223   13.869   46.236   41.037   62.835 -18.2092   68.279   54.222   23.881   45.755   21.778 8.466682 32.31990 
1 1 1    6  -30    0 o   50.278   15.573   33.876   21.566   35.564   23.640   25.505   52.650   51.567   16.354   56.157   23.172 -4.589504 28.36209 
1 1 1    6  -30    1 o   43.549   15.174   23.455   20.254   19.704   22.054   43.663   51.186   42.168   15.681   60.633   23.566 -18.46552 28.30624 
1 1 1    6  -30    2 o  131.992   15.627  237.614   50.508  197.303   53.401  579.659  155.555  118.033   18.744  179.813   35.900 -61.78031 40.49852 
1 1 1    6  -30    3 o   29.561   14.533 -67.8976   37.372 -137.7306   55.972 -11.7223   50.201   32.341   16.205   45.205   20.512 -12.86411 26.14101 
1 1 1    6  -30    4 f   27.299   12.268  -6.1953   17.456  -5.3073   17.549 -89.1951  169.665   27.698   12.384   64.481   31.547 -36.78287 33.89057 
1 1 1    6  -30    5 o   32.245   13.537   4.7087   18.426   3.8039   19.426   12.827   58.187   32.541   13.793   51.893   22.912 -19.35272 26.74294 
1 1 1    6  -30    6 o   47.560   16.186   31.450   23.000   39.522   24.821 -17.5703   61.166   52.226   16.779   46.646   21.695 5.579830 27.42598 
1 1 1    6  -30    7 o   69.486   23.057   82.107   46.688   34.847   63.822  136.514   68.478   56.119   24.405   83.777   27.930 -27.65878 37.09051 
1 1 1    6  -30    8 o   43.483   19.405   4.7613   42.871  -7.5179   57.838   19.734   63.867   45.982   21.286   52.265   23.478 -6.283131 31.69074 
1 1 1    6  -30    9 o   65.856   23.291   78.217   47.837   50.192   64.597  112.250   71.186   57.549   24.789   72.493   27.898 -14.94432 37.32020 
1 1 1    6  -30   10 o   56.715   22.416   54.738   46.976   7.2422   65.269  105.784   67.665   48.711   22.571   69.642   27.087 -20.93171 35.25823 
1 1 1    6  -29    0 o   89.507   13.466  105.783   29.166  125.581   34.239   53.422   55.682   97.265   14.543   66.427   24.875 30.83817 28.81409 
1 1 1    6  -29    1 o   37.816   14.421   13.787   18.913   17.687   20.458  -9.1436   49.606   40.718   15.111   46.975   20.925 -6.256592 25.81074 
1 1 1    6  -29    2 o   56.810   23.099   28.479   51.368   0.0000   0.0000   28.479   51.368  ?   ?    56.810   23.099 0.000000 23.09943 
1 1 1    6  -29    3 o   45.126   16.037   24.675   22.705   24.675   22.705   0.0000   0.0000   45.126   16.037  ?   ?  0.000000 16.03685 
1 1 1    6  -29    4 o   38.698   15.274   13.148   21.783   14.103   22.032 -28.2645  145.058   39.277   15.406   69.059   32.531 -29.78170 35.99462 
1 1 1    6  -29    5 o   23.316   10.724  -9.6240   14.345  -4.1783   14.877 -81.7675   54.149   25.862   11.493   36.709   17.930 -10.84698 21.29779 
1 1 1    6  -29    6 o   57.051   16.127   46.375   23.996   49.045   26.298   33.104   58.636   58.426   17.000   57.572   24.158 0.8540344 29.53991 
1 1 1    6  -29    7 o   61.478   16.059   54.646   24.924   50.602   27.234   75.497   61.842   58.801   17.354   68.549   26.092 -9.748444 31.33635 
1 1 1    6  -29    8 o   34.219   16.338 -37.6087   39.056 -96.4414   52.047   38.213   59.086   33.376   16.545   57.105   24.121 -23.72900 29.24999 
1 1 1    6  -29    9 o   62.075   22.492   62.381   44.899   46.122   60.791   81.895   66.600   58.305   24.539   67.751   26.718 -9.445934 36.27673 
1 1 1    6  -29   10 o   73.328   23.492   95.058   48.684   70.582   66.281  123.733   71.741   63.568   26.087   77.390   28.371 -13.82270 38.54203 
1 1 1    6  -29   11 o   49.588   20.911   29.089   44.286   55.497   59.528  -3.6428   66.274   58.459   24.422   48.193   22.470 10.26617 33.18679 
1 1 1    6  -28    0 o   76.023   14.408   76.836   26.351   91.322   30.629   35.571   51.696   82.744   15.390   60.487   23.634 22.25745 28.20299 
1 1 1    6  -28    1 o   71.257   25.642   64.810   58.222   0.0000   0.0000   64.810   58.222  ?   ?    71.257   25.642 0.000000 25.64206 
1 1 1    6  -28    2 o   23.854   11.016 -11.7930   15.357 -11.7930   15.357   0.0000   0.0000   23.854   11.016  ?   ?  0.000000 11.01604 
1 1 1    6  -28    3 o   65.210   15.136   57.785   24.173   68.625   27.160   16.481   53.017   70.987   15.735   54.659   22.955 16.32814 27.83037 
1 1 1    6  -28    4 o   42.376   15.176   20.887   20.371   25.947   22.034  -8.8987   53.455   45.833   15.834   48.582   21.675 -2.748867 26.84303 
1 1 1    6  -28    5 o   47.861   15.582   30.015   21.360   31.476   23.254   22.127   54.035   49.112   16.271   55.629   23.256 -6.517471 28.38322 
1 1 1    6  -28    6 o   37.934   15.057   12.039   21.279   9.6898   21.490  129.992  152.291   36.977   14.975   88.689   38.132 -51.71209 40.96692 
1 1 1    6  -28    7 o   61.786   16.051   53.861   24.989   60.016   27.450   24.074   60.387   64.968   16.796   56.777   24.200 8.190369 29.45786 
1 1 1    6  -28    8 o   48.005   16.112   31.048   22.786   37.778   24.713  -7.1332   58.865   52.060   16.744   49.085   22.249 2.974781 27.84529 
1 1 1    6  -28    9 o   44.782   15.637   26.361   21.515   19.339   23.044   74.097   60.083   41.584   15.904   68.149   25.771 -26.56553 30.28336 
1 1 1    6  -28   10 o  106.335   20.533  174.391   52.550  270.232   73.671   75.117   74.979  129.016   23.741   67.556   27.738 61.46059 36.51079 
1 1 1    6  -28   11 o   51.249   20.989   31.489   42.799   39.241   58.134   22.315   63.241   56.259   23.854   53.557   23.754 2.702637 33.66383 
1 1 1    6  -28   12 o   47.670   20.379   21.004   43.052 -24.4135   58.637   74.120   63.413   43.665   20.603   64.473   25.859 -20.80796 33.06310 
1 1 1    6  -28   13 f   36.712   17.312 -23.6343   41.281   4.1445   57.709 -52.7430   59.075   47.284   21.660   39.609   19.206 7.674679 28.94839 
1 1 1    6  -27    0 o   42.562   15.089   20.542   20.088   6.0614   22.436   79.074   45.107   36.738   15.139   76.107   22.298 -39.36889 26.95180 
1 1 1    6  -27    1 o   57.258   15.112   43.804   21.924   45.937   24.344   34.645   50.438   58.614   16.126   60.081   23.381 -1.466988 28.40279 
1 1 1    6  -27    2 o   43.221   15.148   21.763   20.199   26.986   22.233  -2.9241   48.334   46.976   15.914   48.582   21.182 -1.606266 26.49372 
1 1 1    6  -27    3 o   83.340   20.837   96.523   43.250  148.602   60.227   41.067   62.149  102.401   23.975   65.098   25.766 37.30219 35.19531 
1 1 1    6  -27    4 o   38.253   14.471   14.271   18.948   15.717   20.336   4.7524   52.177   39.782   15.005   51.792   22.295 -12.00999 26.87389 
1 1 1    6  -27    5 o  160.939   11.262  333.526   44.977  349.859   55.075  300.826   77.929  163.737   13.593  146.846   21.923 16.89120 25.79466 
1 1 1    6  -27    6 o   47.448   15.197   29.350   20.375   29.257   21.983   29.914   54.263   47.757   15.820   58.382   23.740 -10.62554 28.52868 
1 1 1    6  -27    7 o   69.187   17.938   67.290   31.250   68.212   31.939   46.625  151.203   69.589   18.180   80.187   36.064 -10.59787 40.38680 
1 1 1    6  -27    8 o   22.448   10.541 -14.7193   15.025 -18.2958   15.600   31.145   55.864   22.019   10.460   58.031   23.898 -36.01156 26.08682 
1 1 1    6  -27    9 o   88.242   14.048  105.969   29.917  136.462   33.829  -3.4738   64.090  100.452   13.855   52.244   23.489 48.20770 27.27108 
1 1 1    6  -27   10 o   51.805   15.913   37.567   22.570   32.672   24.456   65.676   58.604   49.186   16.691   66.632   25.391 -17.44643 30.38549 
1 1 1    6  -27   11 o   22.733   10.723 -15.8367   15.854 -14.3489   16.543 -32.6003   55.529   23.802   11.140   42.927   20.192 -19.12419 23.06157 
1 1 1    6  -27   12 o   47.019   19.953   17.407   40.732   49.251   55.800 -18.9139   59.594   59.382   24.101   45.958   21.388 13.42439 32.22290 
1 1 1    6  -27   13 o   44.653   19.439   10.907   40.569  -8.2337   54.260   35.171   61.091   45.325   20.850   55.741   24.059 -10.41604 31.83649 
1 1 1    6  -27   14 o   49.916   20.991   28.077   44.425   69.069   61.167 -17.6870   64.630   63.023   25.355   46.385   21.808 16.63788 33.44321 
1 1 1    6  -26    0 o  151.835   10.305  292.819   38.840  305.208   50.090  274.140   61.506  154.229   13.131  144.648   17.375 9.581024 21.77881 
1 1 1    6  -26    1 o  163.293   10.563  338.959   42.842  359.905   54.307  304.443   69.714  167.503   13.087  151.813   18.790 15.68956 22.89869 
1 1 1    6  -26    2 o  105.304   11.598  142.529   29.993  161.075   35.974  100.244   54.320  111.587   13.163   85.061   24.340 26.52560 27.67164 
1 1 1    6  -26    3 o  195.787   11.274  488.729   54.885  577.962   71.722  362.629   85.261  211.986   13.621  164.143   21.303 47.84277 25.28523 
1 1 1    6  -26    4 o  106.868   11.753  147.223   30.846  156.594   36.086  121.800   59.437  109.740   13.449   92.775   25.063 16.96491 28.44364 
1 1 1    6  -26    5 o   51.904   20.139   25.367   37.333   12.943   49.353   41.986   57.079   52.976   22.193   64.015   24.884 -11.03943 33.34262 
1 1 1    6  -26    6 o   72.589   14.305   70.408   25.008   83.818   27.978   17.122   55.773   79.246   14.679   56.363   23.601 22.88298 27.79338 
1 1 1    6  -26    7 o   37.923   14.572   13.320   19.402   16.775   20.803  -9.7698   53.775   40.495   15.196   48.974   21.803 -8.478142 26.57632 
1 1 1    6  -26    8 o  113.589   12.060  168.294   33.685  183.980   39.211  124.111   65.810  118.189   13.529   90.626   27.033 27.56316 30.22939 
1 1 1    6  -26    9 o  102.532   17.446  144.986   43.070  143.765   44.543  162.533  168.848  101.677   18.212   96.782   40.823 4.895332 44.70094 
1 1 1    6  -26   10 o   89.488   13.491  107.542   29.212  117.554   33.031   71.598   62.587   93.052   14.703   70.908   26.408 22.14314 30.22501 
1 1 1    6  -26   11 o   29.630   12.816  -0.3593   17.408   11.120   18.497 -89.3271   51.496   35.702   14.080   34.660   17.043 1.041862 22.10735 
1 1 1    6  -26   12 o   69.494   15.578   68.438   26.365   87.887   29.279 -14.9367   60.623   79.098   15.377   48.218   22.129 30.87962 26.94693 
1 1 1    6  -26   13 o   50.921   20.582   28.713   40.512   40.710   55.351   14.873   59.453   57.808   23.795   52.668   23.211 5.140404 33.24121 
1 1 1    6  -26   14 o   45.598   19.618   13.122   40.356   35.316   56.499  -9.9937   57.662   55.709   23.562   46.670   21.479 9.038651 31.88288 
1 1 1    6  -26   15 o   45.526   19.810   12.501   42.101 -19.9360   58.001   48.625   61.209   44.555   20.855   58.721   24.664 -14.16669 32.29895 
1 1 1    6  -26   16 o   36.972   17.320 -20.7767   40.144  -4.9795   57.641 -35.6560   55.942   46.208   21.340   41.012   19.573 5.195850 28.95720 
1 1 1    6  -25    0 o  222.066   15.334  634.134   84.511  634.134   84.511   0.0000   0.0000  222.066   15.334  ?   ?  0.000000 15.33372 
1 1 1    6  -25    1 o  253.700   15.090  826.906   95.167  773.231  125.262  900.185  146.361  242.193   20.917  260.212   22.753 -18.01898 30.90610 
1 1 1    6  -25    2 o  121.337   10.524  187.560   31.573  169.661   39.050  221.350   53.653  114.480   13.948  129.996   16.930 -15.51596 21.93534 
1 1 1    6  -25    3 o  152.908   10.565  297.294   40.093  310.553   51.022  275.890   64.825  155.502   13.266  144.667   18.357 10.83542 22.64915 
1 1 1    6  -25    4 o  107.946   11.525  149.584   30.587  157.664   36.247  129.601   57.003  110.331   13.433   96.593   23.789 13.73771 27.31981 
1 1 1    6  -25    5 o  103.977   13.108  140.203   33.278  176.680   39.923   57.161   60.238  116.623   13.988   70.078   25.945 46.54468 29.47529 
1 1 1    6  -25    6 o  229.760   15.696  686.192   89.518  863.649  125.862  504.528  127.345  254.901   19.932  189.084   27.800 65.81688 34.20652 
1 1 1    6  -25    7 o   69.509   14.326   64.461   24.040   66.754   26.832   55.133   54.116   70.429   15.662   67.497   24.657 2.931686 29.21031 
1 1 1    6  -25    8 o  124.412   11.375  199.352   34.948  206.004   41.288  182.547   65.629  125.778   13.349  113.433   23.922 12.34529 27.39474 
1 1 1    6  -25    9 o   32.568   13.524   4.2116   18.098   10.778   19.243 -46.0937   53.261   36.522   14.375   42.136   19.806 -5.614323 24.47285 
1 1 1    6  -25   10 o  193.412   11.256  482.672   54.128  449.277   66.538  548.010   93.069  184.594   14.552  200.545   18.804 -15.95158 23.77719 
1 1 1    6  -25   11 o   79.885   17.986   89.621   35.017   84.753   35.721  209.440  177.232   77.354   18.699  103.168   42.536 -25.81374 46.46442 
1 1 1    6  -25   12 o   55.429   15.624   42.602   22.557   35.530   24.566   80.613   56.952   51.358   16.710   73.346   25.451 -21.98759 30.44584 
1 1 1    6  -25   13 o  157.525   11.700  326.945   45.697  322.102   54.545  338.349   83.696  154.385   14.311  149.773   23.123 4.612213 27.19285 
1 1 1    6  -25   14 f   68.893   16.046   67.900   27.092   77.501   30.121   27.238   61.989   73.299   16.813   56.695   24.351 16.60343 29.59139 
1 1 1    6  -25   15 o   42.648   18.622   5.1262   37.486   30.291   53.910 -18.4313   52.160   54.582   23.047   43.691   20.221 10.89126 30.66035 
1 1 1    6  -25   16 o   47.756   20.562   16.564   44.407   39.180   59.816 -11.2060   66.281   57.021   24.188   48.958   22.707 8.063198 33.17588 
1 1 1    6  -25   17 o   63.029   25.979   65.814   66.087   65.814   66.087   0.0000   0.0000   63.029   25.979  ?   ?  0.000000 25.97888 
1 1 1    6  -24    0 o  193.819   10.304  475.263   49.693  506.472   67.276  437.791   73.718  199.148   13.610  184.224   16.189 14.92436 21.14922 
1 1 1    6  -24    1 o  350.917   12.835  1563.43  112.471  1596.95  156.811  1527.93  161.404  351.493   17.925  343.138   18.909 8.355682 26.05492 
1 1 1    6  -24    2 o  115.362   10.581  169.496   30.142  158.958   37.631  188.362   50.350  110.892   13.894  119.816   17.331 -8.924797 22.21328 
1 1 1    6  -24    3 o  290.968   16.101  1090.34  116.533  1021.36  155.645  1178.34  175.794  277.487   22.659  297.207   23.888 -19.72046 32.92542 
1 1 1    6  -24    4 o   76.531   12.249   76.151   22.620   65.430   26.075  108.755   45.472   70.153   15.314   89.466   20.755 -19.31263 25.79312 
1 1 1    6  -24    5 o  175.204   10.381  389.589   45.215  418.721   58.132  344.975   71.939  180.858   12.957  162.157   18.073 18.70097 22.23794 
1 1 1    6  -24    6 o   51.894   14.775   35.461   20.067   35.173   22.324   36.676   45.806   52.019   15.796   59.498   22.501 -7.479305 27.49241 
1 1 1    6  -24    7 f  280.388   11.925  1000.71   83.497  1106.74  112.197  869.093  125.003  292.642   15.407  256.495   19.666 36.14655 24.98251 
1 1 1    6  -24    8 o   67.419   21.016   60.780   39.205  125.993   52.391 -22.2087   59.101   95.235   22.404   49.676   22.425 45.55925 31.69891 
1 1 1    6  -24    9 o  198.023   11.614  502.045   57.181  619.435   72.816  313.188   92.358  219.171   13.368  148.995   25.755 70.17619 29.01740 
1 1 1    6  -24   10 o  112.439   12.079  163.806   33.385  189.639   38.947   92.246   64.822  120.688   13.135   81.061   27.175 39.62678 30.18288 
1 1 1    6  -24   11 o   89.790   12.540  105.804   27.349   89.970   30.709  166.525   60.136   81.606   15.638  107.971   23.008 -26.36545 27.81923 
1 1 1    6  -24   12 o  153.009   16.677  315.103   62.691  304.693   66.700  393.954  183.577  149.394   18.259  138.681   45.706 10.71252 49.21843 
1 1 1    6  -24   13 o  134.899   12.731  239.472   42.378  295.558   50.880  112.434   76.575  149.330   13.800   84.568   29.502 64.76161 32.57002 
1 1 1    6  -24   14 o   63.332   16.331   56.450   25.994   74.779   29.179 -14.0360   57.220   72.969   16.411   48.097   21.853 24.87250 27.32905 
1 1 1    6  -24   15 f   91.771   14.956  116.331   33.095  134.798   36.328   26.216   80.250   98.754   15.220   61.425   27.023 37.32884 31.01430 
1 1 1    6  -24   16 o   52.022   21.147   29.083   43.037   19.013   55.998   43.614   67.266   52.998   22.954   61.150   25.778 -8.152077 34.51692 
1 1 1    6  -24   17 o   45.392   19.778   9.0509   42.082   23.271   58.998  -5.6764   60.041   53.874   23.447   48.506   22.172 5.368782 32.27046 
1 1 1    6  -24   18 o   94.305   22.973  147.465   53.602  148.542   74.158  146.286   77.566   86.587   29.066   84.907   29.688 1.680016 41.54742 
1 1 1    6  -24   19 o   85.745   24.591  131.635   55.386  160.249   76.949  100.875   79.783   87.166   29.606   70.593   28.755 16.57278 41.27193 
1 1 1    6  -23    0 o   97.351   9.6409  120.469   23.129   83.381   28.652  189.843   39.187   79.685   14.948  121.689   13.102 -42.00453 19.87716 
1 1 1    6  -23    1 o  346.018   12.679  1517.54  109.558  1528.22  153.203  1506.35  156.735  344.286   17.881  341.460   18.450 2.826019 25.69287 
1 1 1    6  -23    2 o  160.387   9.9117  325.460   39.504  344.742   52.306  299.859   60.269  164.373   12.845  152.281   16.093 12.09222 20.59061 
1 1 1    6  -23    3 o  139.259   9.9376  245.745   34.331  256.145   44.411  230.302   54.120  141.546   12.700  133.022   16.657 8.523163 20.94637 
1 1 1    6  -23    4 o  157.633   13.658  318.508   53.231  297.599   64.431  363.464   94.477  151.120   17.391  164.493   23.683 -13.37253 29.38211 
1 1 1    6  -23    5 o  158.688   10.207  319.247   40.234  292.920   51.092  362.229   65.282  151.053   13.694  167.385   15.805 -16.33231 20.91207 
1 1 1    6  -23    6 o  206.497   10.190  538.710   52.547  544.897   68.771  530.031   81.454  206.389   13.416  202.418   16.251 3.970322 21.07377 
1 1 1    6  -23    7 o  161.460   10.119  330.740   40.595  308.681   50.710  370.100   67.737  155.087   13.220  168.800   16.271 -13.71304 20.96475 
1 1 1    6  -23    8 o   51.310   14.806   34.570   20.022   26.492   22.013   73.263   48.178   46.786   15.835   74.031   23.333 -27.24520 28.19914 
1 1 1    6  -23    9 o  152.616   10.951  297.017   41.458  325.773   51.051  241.320   71.048  159.224   12.952  133.212   22.135 26.01222 25.64555 
1 1 1    6  -23   10 f  193.944   15.164  488.400   72.856  632.294  101.993  338.480  104.107  218.614   18.868  154.166   28.077 64.44861 33.82724 
1 1 1    6  -23   11 o   47.061   14.966   28.366   19.785   21.439   21.511   66.409   50.412   43.534   15.595   70.832   23.964 -27.29772 28.59109 
1 1 1    6  -23   12 o   88.122   14.057  102.787   29.894  126.362   34.370   29.540   60.582   97.728   14.525   61.130   24.997 36.59797 28.91068 
1 1 1    6  -23   13 o   57.497   15.409   44.938   22.573   45.400   24.961   42.867   52.881   57.774   16.489   62.137   24.008 -4.362667 29.12447 
1 1 1    6  -23   14 o   76.594   18.122   82.187   34.122   77.579   34.700  216.965  187.671   74.189   18.728  105.846   43.718 -31.65659 47.56045 
1 1 1    6  -23   15 f   78.246   15.319   84.097   28.862   95.111   31.817   32.927   68.579   83.060   15.919   62.007   26.078 21.05259 30.55311 
1 1 1    6  -23   16 o   94.107   13.890  119.985   31.660  126.880   35.419   92.576   70.618   96.068   15.275   76.592   28.138 19.47598 32.01681 
1 1 1    6  -23   17 o   77.394   15.223   83.956   28.372   64.347   31.239  176.313   67.796   66.230   18.287  103.497   26.206 -37.26723 31.95521 
1 1 1    6  -23   18 o   71.106   23.260   81.466   47.577  164.963   66.582  -5.6505   68.009   97.984   26.550   51.420   23.539 46.56404 35.48259 
1 1 1    6  -23   19 o   53.574   21.800   35.004   45.797   80.051   63.696 -13.2052   65.894   68.500   26.381   48.818   22.641 19.68240 34.76468 
1 1 1    6  -23   20 o   57.642   22.812   49.224   48.706   48.459   67.597   50.049   70.241   59.587   25.506   60.219   25.894 -0.6324615 36.34646 
1 1 1    6  -22    0 o  163.530   9.4072  337.433   38.254  336.730   51.981  338.264   56.499  162.614   12.907  162.697   14.044 -0.8340454E-01 19.07398 
1 1 1    6  -22    1 o  110.410   14.331  157.335   38.581  144.230   53.436  171.607   55.763  103.726   21.342  113.664   20.395 -9.937950 29.51997 
1 1 1    6  -22    2 o  275.428   10.849  957.138   74.620  957.617  103.467  956.620  107.720  273.737   15.196  273.319   15.851 0.4176331 21.95806 
1 1 1    6  -22    3 o  202.814   9.9701  518.319   50.495  565.793   68.609  462.214   74.586  210.815   13.097  189.574   15.902 21.24113 20.60147 
1 1 1    6  -22    4 o  170.129   10.109  366.180   42.754  391.875   56.761  332.487   64.999  175.268   13.063  160.335   16.468 14.93297 21.01967 
1 1 1    6  -22    5 o  325.036   12.022  1338.03   97.579  1342.51  135.107  1333.15  141.082  323.008   16.808  321.393   17.646 1.614990 24.36992 
1 1 1    6  -22    6 o  245.852   15.752  776.900   96.197  803.620  126.188  739.826  148.638  247.597   20.596  234.374   25.825 13.22328 33.03212 
1 1 1    6  -22    7 o  166.219   10.008  349.911   41.346  340.243   52.888  365.106   66.306  163.081   13.097  168.005   15.998 -4.924454 20.67526 
1 1 1    6  -22    8 o  153.867   10.764  300.875   41.098  307.445   51.841  289.760   67.429  154.766   13.550  148.447   18.598 6.318817 23.01068 
1 1 1    6  -22    9 o  247.405   10.929  775.157   67.523  782.224   89.111  765.627  103.476  246.811   14.522  242.843   17.174 3.968658 22.49092 
1 1 1    6  -22   10 o   69.128   14.519   63.426   24.266   81.966   27.590   0.1075   50.988   78.808   14.556   50.925   21.980 27.88307 26.36253 
1 1 1    6  -22   11 o   89.747   18.775  108.936   40.726   74.702   54.510  152.189   61.272   75.082   24.914  104.498   23.988 -29.41615 34.58463 
1 1 1    6  -22   12 o   74.742   14.549   74.252   26.177   95.949   29.703  -1.2093   55.393   85.242   14.471   52.275   22.735 32.96738 26.95006 
1 1 1    6  -22   13 o  162.292   11.731  338.263   47.223  406.886   58.104  204.735   81.051  177.431   13.208  118.395   27.876 59.03616 30.84682 
1 1 1    6  -22   14 o  168.140   11.169  363.227   46.630  378.305   55.302  326.137   86.736  170.734   13.070  152.209   23.582 18.52444 26.96211 
1 1 1    6  -22   15 o  115.462   17.205  180.885   48.092  175.910   49.570  260.612  198.422  113.360   18.121  114.527   45.810 -1.166649 49.26370 
1 1 1    6  -22   16 o   57.868   16.379   46.200   24.736   44.486   26.885   55.654   63.142   56.935   17.345   67.181   26.156 -10.24617 31.38450 
1 1 1    6  -22   17 o   45.454   16.164   25.428   23.069   27.771   24.980   11.845   60.142   47.264   16.818   54.514   23.699 -7.250469 29.06063 
1 1 1    6  -22   18 o  106.898   13.185  153.732   34.450  152.157   39.144  159.141   72.555  105.038   15.379   97.043   28.237 7.994705 32.15321 
1 1 1    6  -22   19 o   36.304   17.113 -31.7089   40.272 -64.5236   55.579   4.5638   58.435   38.860   18.791   50.816   22.668 -11.95620 29.44373 
1 1 1    6  -22   20 f   60.885   22.738   55.516   46.467   82.096   64.888   27.537   66.573   69.861   26.695   56.705   24.787 13.15571 36.42814 
1 1 1    6  -22   21 o   62.372   23.296   61.896   48.779  100.895   68.663   22.161   69.309   73.708   27.618   55.291   24.674 18.41716 37.03468 
1 1 1    6  -22   22 o   51.031   21.948   25.845   50.481 -17.6007   72.419   66.909   70.406   48.838   22.999   63.293   26.511 -14.45568 35.09695 
1 1 1    6  -21    0 o  283.450   10.718  1011.72   75.863  977.315  106.145  1047.64  108.467  276.938   15.409  286.836   15.197 -9.898285 21.64277 
1 1 1    6  -21    1 o  180.597   8.8469  409.705   39.898  353.840   54.375  474.862   58.724  166.726   13.167  193.529   12.214 -26.80324 17.95981 
1 1 1    6  -21    2 o   90.203   10.368  103.790   22.929  113.671   28.938   87.120   37.587   93.996   12.649   80.806   18.954 13.19079 22.78768 
1 1 1    6  -21    3 o   96.557   14.736  121.097   34.407  140.297   47.087   99.102   50.398  102.940   19.018   85.700   23.048 17.23948 29.88154 
1 1 1    6  -21    4 o  143.773   9.4486  261.212   33.734  290.124   44.155  220.675   52.284  151.068   11.798  130.455   16.412 20.61319 20.21299 
1 1 1    6  -21    5 f  124.038   9.6934  194.902   29.786  180.690   37.910  217.829   48.151  118.707   13.001  129.909   15.126 -11.20187 19.94577 
1 1 1    6  -21    6 o  204.907   10.042  529.261   51.386  522.931   68.721  537.289   77.389  202.424   13.675  204.664   15.252 -2.239838 20.48470 
1 1 1    6  -21    7 o  220.838   10.474  615.494   57.760  609.480   77.572  622.977   86.531  218.312   14.308  220.143   15.846 -1.830750 21.35016 
1 1 1    6  -21    8 o  181.641   15.307  424.583   68.783  476.417   85.416  328.969  116.009  191.394   18.086  152.559   31.495 38.83533 36.31840 
1 1 1    6  -21    9 f  237.134   11.033  711.276   65.337  749.430   87.385  662.904   98.392  241.864   14.536  226.096   17.565 15.76830 22.79908 
1 1 1    6  -21   10 o  286.032   11.683  1037.27   83.451  1087.20  112.665  976.566  124.215  290.748   15.574  274.020   18.257 16.72809 23.99739 
1 1 1    6  -21   11 o   81.379   12.799   86.218   25.151   96.649   28.882   53.485   51.162   85.969   13.930   67.104   24.049 18.86509 27.79185 
1 1 1    6  -21   12 o  256.374   11.519  834.643   73.746  907.210   96.905  734.782  113.677  265.538   14.671  236.242   19.442 29.29547 24.35606 
1 1 1    6  -21   13 o   98.448   19.567  131.376   46.409  139.971   59.714  118.265   73.749  100.013   24.177   91.541   28.871 8.472473 37.65663 
1 1 1    6  -21   14 o  168.044   11.060  360.846   46.153  368.897   56.283  344.319   80.636  169.004   13.447  159.696   20.708 9.307907 24.69094 
1 1 1    6  -21   15 o  119.575   11.288  184.149   33.307  180.121   38.288  196.681   67.532  117.570   13.274  117.993   23.742 -0.4229507 27.20030 
1 1 1    6  -21   16 o  216.228   12.187  603.886   65.539  555.968   77.977  719.194  120.960  205.484   15.306  228.383   21.461 -22.89909 26.36003 
1 1 1    6  -21   17 o   98.242   18.582  134.130   43.916  134.130   43.916   0.0000   0.0000   98.242   18.582  ?   ?  0.000000 18.58160 
1 1 1    6  -21   18 o   94.703   13.477  119.872   30.973  123.099   34.782  107.512   68.068   95.209   15.136   82.993   27.847 12.21651 31.69464 
1 1 1    6  -21   19 o  115.932   12.231  178.098   34.875  147.028   39.570  286.207   73.812  103.245   15.855  139.392   21.929 -36.14716 27.06039 
1 1 1    6  -21   20 o   94.181   14.426  121.995   32.848  120.675   37.121  126.758   70.524   92.264   16.727   85.641   28.334 6.622650 32.90342 
1 1 1    6  -21   21 o   60.523   25.365   44.235   64.515   0.0000   0.0000   44.235   64.515  ?   ?    60.523   25.365 0.000000 25.36537 
1 1 1    6  -21   22 o   66.879   26.943   72.901   69.177   72.901   69.177   0.0000   0.0000   66.879   26.943  ?   ?  0.000000 26.94320 
1 1 1    6  -21   23 o   88.076   24.058  133.636   54.410  151.116   77.927  117.007   76.004   85.774   29.770   76.454   28.968 9.319847 41.53767 
1 1 1    6  -20    0 o  184.608   9.3324  428.972   42.883  447.541   59.477  408.869   61.884  187.928   12.749  179.327   13.929 8.600815 18.88249 
1 1 1    6  -20    1 o  133.395   9.1474  224.478   30.287  239.524   41.095  206.589   44.810  137.302   12.110  126.959   14.388 10.34310 18.80590 
1 1 1    6  -20    2 o   77.965   10.650   77.900   20.193   90.172   25.809   58.532   32.423   83.566   12.774   66.676   18.710 16.88933 22.65483 
1 1 1    6  -20    3 o  183.545   9.0451  423.256   41.458  393.984   56.171  458.282   61.444  176.077   12.864  189.928   13.034 -13.85086 18.31289 
1 1 1    6  -20    4 o  194.817   13.602  483.111   65.758  439.344   91.268  530.355   94.825  183.605   20.243  202.397   18.983 -18.79205 27.75125 
1 1 1    6  -20    5 o  233.730   9.9304  687.718   57.960  666.614   78.852  712.522   85.486  228.831   13.864  236.379   14.553 -7.547668 20.10000 
1 1 1    6  -20    6 f  188.715   9.1432  447.904   43.088  436.015   57.340  463.324   65.304  185.217   12.470  190.580   13.816 -5.362259 18.61107 
1 1 1    6  -20    7 o  174.359   9.8457  384.112   42.694  376.127   56.347  394.876   65.420  171.715   13.243  175.428   15.080 -3.712753 20.06927 
1 1 1    6  -20    8 o  434.005   14.670  2399.51  158.989  2332.26  222.381  2469.83  227.391  423.466   21.029  435.892   20.890 -12.42557 29.64191 
1 1 1    6  -20    9 o  189.754   14.221  460.860   66.895  446.459   83.103  487.368  112.747  185.321   18.192  190.939   24.188 -5.618225 30.26588 
1 1 1    6  -20   10 o  228.375   10.194  658.105   58.135  613.324   76.756  718.359   89.035  218.995   14.111  236.660   15.145 -17.66571 20.69972 
1 1 1    6  -20   11 o  209.970   10.593  558.447   55.364  605.270   72.305  492.094   86.074  217.714   13.364  194.467   17.926 23.24670 22.35962 
1 1 1    6  -20   12 o  240.378   10.691  730.801   64.176  730.077   84.063  731.812   99.359  238.719   14.165  237.766   16.843 0.9531403 22.00774 
1 1 1    6  -20   13 o   85.835   13.167   95.937   27.323   88.250   30.894  123.535   58.539   81.584   15.735   94.347   24.595 -12.76273 29.19739 
1 1 1    6  -20   14 o   46.997   19.220   12.548   35.824  -1.7899   48.429   29.874   53.238   49.194   21.326   59.813   23.793 -10.61872 31.95163 
1 1 1    6  -20   15 o   73.214   14.782   71.347   26.094   69.288   29.136   79.693   58.654   71.713   16.598   77.191   25.850 -5.477554 30.71980 
1 1 1    6  -20   16 o  141.659   10.909  256.944   38.292  223.402   45.008  344.859   72.866  130.977   13.977  160.804   18.482 -29.82710 23.17173 
1 1 1    6  -20   17 o   79.420   14.548   84.267   27.789   68.403   30.702  156.171   65.362   70.606   17.501  103.635   25.444 -33.02928 30.88130 
1 1 1    6  -20   18 o  208.240   20.213  596.097  103.788  596.097  103.788   0.0000   0.0000  208.240   20.213  ?   ?  0.000000 20.21336 
1 1 1    6  -20   19 o  133.468   12.627  233.806   41.585  285.264   48.349   87.531   81.517  147.147   13.302   78.265   29.917 68.88249 32.74074 
1 1 1    6  -20   20 o   92.763   13.981  116.178   31.380  112.193   35.382  130.866   67.928   89.936   16.357   90.074   27.596 -0.1387711 32.07949 
1 1 1    6  -20   21 o   69.209   23.279   72.714   47.569 -47.3672   67.466  191.431   67.082   46.310   21.927  110.151   24.964 -63.84185 33.22642 
1 1 1    6  -20   22 o   54.585   21.783   35.351   44.758 -17.3332   62.285   91.604   64.361   48.160   22.222   74.148   26.919 -25.98732 34.90627 
1 1 1    6  -20   23 o   68.141   23.306   74.881   47.689   71.803   68.207   77.825   66.703   67.194   26.865   68.751   26.851 -1.557243 37.98292 
1 1 1    6  -20   24 o   58.886   22.730   51.765   47.367   40.938   68.344   61.773   65.706   58.818   25.417   63.254   25.968 -4.435707 36.33666 
1 1 1    6  -20   25 o   46.446   20.591   10.141   47.472   28.231   69.526  -5.6584   64.976   55.229   24.675   48.541   22.502 6.687607 33.39435 
1 1 1    6  -19    0 o  321.525   17.002  1314.03  136.028  1403.16  191.222  1222.72  193.543  329.733   23.375  306.745   25.498 22.98801 34.59089 
1 1 1    6  -19    1 o   57.818   11.699   43.562   16.311   36.082   20.461   56.602   27.015   52.724   14.887   65.559   16.511 -12.83562 22.23140 
1 1 1    6  -19    2 o  207.740   9.2108  541.674   47.783  495.645   66.117  591.998   69.133  197.687   13.474  216.270   12.859 -18.58298 18.62483 
1 1 1    6  -19    3 o  264.786   10.616  881.977   70.195  871.626   97.881  892.938  100.721  261.839   15.033  264.950   15.288 -3.110962 21.44089 
1 1 1    6  -19    4 o  182.705   9.6855  420.726   44.032  449.547   59.976  387.030   64.850  188.226   12.837  174.041   15.070 14.18549 19.79606 
1 1 1    6  -19    5 o  105.217   9.9528  140.470   25.840  137.437   33.077  145.219   41.391  103.460   13.096  105.661   16.204 -2.200539 20.83473 
1 1 1    6  -19    6 f  257.243   14.904  843.412   95.328  775.067  133.744  913.989  135.910  243.539   22.237  265.388   20.671 -21.84950 30.36051 
1 1 1    6  -19    7 o   75.290   10.679   72.827   19.515   63.548   23.409   93.968   35.335   69.589   13.956   84.241   17.374 -14.65185 22.28505 
1 1 1    6  -19    8 o  258.468   10.303  841.798   66.500  797.434   90.835  893.039   97.621  250.013   14.613  264.536   14.838 -14.52287 20.82529 
1 1 1    6  -19    9 o  103.278   9.9799  135.590   25.418  111.315   30.910  186.286   44.668   92.675   13.775  119.994   15.251 -27.31929 20.55158 
1 1 1    6  -19   10 o  117.619   10.609  175.923   30.824  168.890   38.305  188.845   51.920  114.539   13.662  120.012   17.869 -5.473473 22.49354 
1 1 1    6  -19   11 o  292.441   15.590  1095.99  113.440  958.937  148.705  1286.77  175.449  269.901   22.262  312.621   22.627 -42.71933 31.74238 
1 1 1    6  -19   12 o  190.801   10.919  461.525   51.811  527.003   67.127  365.037   81.487  203.206   13.302  166.580   19.988 36.62630 24.00982 
1 1 1    6  -19   13 o  303.674   11.777  1168.64   89.310  1014.80  120.241  1357.95  133.385  280.138   17.272  324.669   16.506 -44.53064 23.89124 
1 1 1    6  -19   14 o  223.025   11.032  629.707   61.442  615.111   79.283  651.653   97.218  218.853   14.591  223.937   17.524 -5.084030 22.80342 
1 1 1    6  -19   15 o   93.188   12.688  112.481   28.759  119.748   32.948   89.233   58.933   95.787   14.205   81.237   25.828 14.55050 29.47676 
1 1 1    6  -19   16 o  165.657   15.319  356.307   62.652  355.910   87.016  356.735   90.281  162.363   22.031  162.055   22.951 0.3078918 31.81324 
1 1 1    6  -19   17 o  103.591   12.642  139.168   32.025  151.930   36.251   93.802   68.349  107.945   13.761   82.727   27.904 25.21773 31.11242 
1 1 1    6  -19   18 o  105.788   13.186  146.114   34.079  159.191   39.033  104.188   69.892  109.978   14.572   85.416   28.204 24.56113 31.74614 
1 1 1    6  -19   19 o   72.077   15.792   70.682   27.639   79.037   30.806   36.197   62.585   76.011   16.687   62.999   25.540 13.01121 30.50837 
1 1 1    6  -19   20 f   81.490   19.703   94.216   39.654   94.216   39.654   0.0000   0.0000   81.490   19.703  ?   ?  0.000000 19.70318 
1 1 1    6  -19   21 o   18.851   9.3223 -35.5876   16.166 -35.5876   16.166   0.0000   0.0000   18.851   9.3223  ?   ?  0.000000 9.322298 
1 1 1    6  -19   22 o  124.901   13.049  208.292   40.100  232.070   46.787  142.471   77.841  130.895   14.560   91.168   29.749 39.72769 33.12096 
1 1 1    6  -19   23 o   52.318   17.031   38.186   25.519   25.954   28.109   95.539   60.868   46.741   17.639   76.233   26.319 -29.49266 31.68297 
1 1 1    6  -19   24 o   73.472   23.262   87.213   47.841   79.448   69.523   94.197   65.936   69.841   27.375   74.113   27.195 -4.272255 38.58686 
1 1 1    6  -19   25 o   98.299   22.482  155.378   53.988  181.975   77.919  130.818   74.874   97.657   29.480   82.442   29.141 15.21490 41.45157 
1 1 1    6  -19   26 o   40.159   18.666 -17.7554   45.161 -37.3129   66.530  -1.0422   61.502   44.938   21.419   48.738   22.338 -3.800365 30.94772 
1 1 1    6  -18    0 o  134.808   8.3555  228.448   27.989  190.348   38.248  272.375   41.068  122.409   12.697  146.875   11.283 -24.46658 16.98629 
1 1 1    6  -18    1 o   82.359   9.9665   86.308   20.081   95.319   26.546   74.255   30.702   86.144   12.723   75.181   16.779 10.96357 21.05702 
1 1 1    6  -18    2 o   80.279   13.503   83.373   26.108   88.816   32.962   74.211   42.769   82.336   16.605   75.297   21.613 7.038811 27.25515 
1 1 1    6  -18    3 o   77.032   9.5675   75.595   18.008   63.989   23.003   93.968   28.942   70.056   13.640   85.191   14.098 -15.13447 19.61573 
1 1 1    6  -18    4 o  260.983   10.713  856.372   69.818  888.842   97.510  822.213  100.012  264.654   14.814  254.217   15.833 10.43661 21.68236 
1 1 1    6  -18    5 o  370.099   13.188  1729.81  121.887  1772.49  171.205  1685.94  173.568  372.648   18.398  362.599   19.238 10.04883 26.61887 
1 1 1    6  -18    6 o  178.074   8.9857  399.189   39.829  372.102   53.677  432.374   59.413  171.216   12.644  184.555   12.974 -13.33893 18.11587 
1 1 1    6  -18    7 o  159.827   9.7347  322.378   38.668  345.805   51.802  292.901   58.108  164.962   12.672  151.022   15.634 13.93964 20.12491 
1 1 1    6  -18    8 o   95.584   14.566  118.489   33.669  129.913   45.357  104.467   50.249   99.053   19.028   88.058   22.705 10.99559 29.62433 
1 1 1    6  -18    9 o  135.905   9.5098  233.454   32.071  233.043   41.355  234.073   50.799  135.217   12.385  134.788   15.367 0.4291077 19.73653 
1 1 1    6  -18   10 f  352.804   12.631  1575.60  111.283  1514.46  154.687  1641.19  160.213  342.989   18.125  357.146   18.022 -14.15723 25.55970 
1 1 1    6  -18   11 o  171.915   9.5020  373.126   40.634  363.154   52.821  387.584   63.599  168.886   12.616  173.892   14.786 -5.005127 19.43681 
1 1 1    6  -18   12 o  246.504   10.652  766.747   65.571  765.469   87.618  768.373   98.859  244.842   14.394  244.557   16.281 0.2849731 21.73118 
1 1 1    6  -18   13 o  422.380   20.110  2315.58  212.111  2118.00  289.433  2544.80  311.750  394.493   29.596  433.291   28.979 -38.79745 41.42134 
1 1 1    6  -18   14 o  226.638   10.809  649.047   61.174  590.565   79.820  732.296   95.233  214.527   14.994  238.525   16.082 -23.99832 21.98762 
1 1 1    6  -18   15 o  193.241   10.550  473.269   50.716  472.246   64.189  474.968   82.737  192.144   13.463  191.137   17.530 1.006668 22.10270 
1 1 1    6  -18   16 o  109.132   11.537  152.619   30.963  136.050   36.023  199.486   60.585  102.190   14.525  121.962   20.628 -19.77255 25.22903 
1 1 1    6  -18   17 o  105.589   12.787  144.059   33.029  165.653   38.667   85.779   63.523  112.971   14.007   80.323   26.901 32.64862 30.32940 
1 1 1    6  -18   18 o  407.932   16.759  2162.54  170.717  2165.77  208.290  2155.94  297.981  403.633   20.735  388.615   30.963 15.01773 37.26407 
1 1 1    6  -18   19 o  121.284   12.474  190.305   37.241  213.618   43.186  122.693   73.546  128.122   13.711   91.987   28.803 36.13474 31.90011 
1 1 1    6  -18   20 o   74.513   22.529   77.947   45.480   77.541   67.209   78.290   61.772   76.116   27.528   75.710   26.492 0.4053421 38.20496 
1 1 1    6  -18   21 o   40.006   16.129   11.439   24.810   11.439   24.810   0.0000   0.0000   40.006   16.129  ?   ?  0.000000 16.12891 
1 1 1    6  -18   22 o   44.390   16.112   23.036   23.053   29.579   25.117 -11.9508   58.077   48.483   16.897   49.438   22.282 -0.9544220 27.96390 
1 1 1    6  -18   23 o   88.330   14.997  106.949   31.897  125.937   36.569   46.544   65.223   95.520   15.889   63.758   25.988 31.76239 30.46080 
1 1 1    6  -18   24 o   94.273   14.404  121.897   32.833  115.520   37.570  142.508   67.545   89.991   17.347   92.083   27.369 -2.091362 32.40314 
1 1 1    6  -18   25 o  116.250   19.594  199.830   54.857  161.084   78.967  235.969   76.264   93.481   29.916  119.349   26.298 -25.86842 39.83192 
1 1 1    6  -18   26 o   62.369   22.991   59.680   47.201  -4.3317   68.224  118.454   65.373   51.313   23.522   81.157   27.290 -29.84377 36.02776 
1 1 1    6  -18   27 o   94.889   23.418  150.579   55.152  155.737   81.402  146.202   74.986   86.717   30.408   85.698   29.225 1.018547 42.17540 
1 1 1    6  -18   28 o   49.859   21.694   22.493   50.482   47.604   75.298   1.9889   68.039   59.080   26.075   50.153   23.170 8.927597 34.88245 
1 1 1    6  -17    0 o  224.917   9.7203  633.654   54.595  676.862   76.815  589.549   77.608  231.758   13.329  216.057   14.468 15.70140 19.67183 
1 1 1    6  -17    1 o  201.447   9.1028  508.241   45.791  468.526   63.860  550.273   65.697  192.624   13.359  208.939   12.651 -16.31438 18.39837 
1 1 1    6  -17    2 f  126.028   8.8231  199.908   27.592  197.944   37.640  202.188   40.567  124.946   12.220  126.155   13.067 -1.208557 17.89043 
1 1 1    6  -17    3 o  225.507   9.6201  637.596   54.174  642.324   75.414  632.555   77.872  225.505   13.453  223.668   14.013 1.836212 19.42555 
1 1 1    6  -17    4 o  327.539   17.067  1362.46  139.112  1384.01  194.810  1340.04  198.717  327.471   23.989  321.786   24.924 5.685638 34.59334 
1 1 1    6  -17    5 o  318.566   11.536  1276.41   91.770  1240.30  128.590  1313.90  131.008  312.412   16.542  321.630   16.365 -9.218353 23.26907 
1 1 1    6  -17    6 o  122.144   9.0930  188.231   27.536  184.373   35.824  193.803   43.048  120.399   12.078  123.035   14.277 -2.635597 18.70034 
1 1 1    6  -17    7 o  286.899   10.645  1035.41   76.264  946.767  105.883  1130.97  109.938  272.760   15.610  298.834   14.732 -26.07416 21.46418 
1 1 1    6  -17    8 o  162.659   9.3182  333.453   37.692  315.185   50.294  356.859   56.929  157.446   12.905  167.402   13.739 -9.956650 18.84988 
1 1 1    6  -17    9 o   92.010   14.530  109.866   32.277  101.789   43.606  119.654   48.003   87.265   20.380   94.615   20.877 -7.350288 29.17458 
1 1 1    6  -17   10 o  138.182   9.7769  241.387   33.519  214.835   39.513  309.538   63.303  129.828   12.336  154.937   16.621 -25.10887 20.69854 
1 1 1    6  -17   11 o  313.362   11.659  1239.90   91.233  1160.52  126.190  1326.83  132.055  300.901   16.862  321.982   16.479 -21.08060 23.57704 
1 1 1    6  -17   12 o  178.136   9.9127  400.788   43.921  418.034   57.131  375.865   68.679  181.288   12.700  170.826   16.298 10.46265 20.66150 
1 1 1    6  -17   13 o  100.427   10.901  128.721   26.900  140.292   32.264  102.333   48.720  104.530   12.615   86.977   22.320 17.55369 25.63841 
1 1 1    6  -17   14 o  166.078   14.624  353.832   60.032  348.159   70.479  368.826  114.588  163.799   17.501  163.570   29.121 0.2284393 33.97531 
1 1 1    6  -17   15 o  151.017   10.151  288.905   38.061  265.582   46.858  334.131   65.250  144.046   13.172  160.669   16.497 -16.62299 21.11076 
1 1 1    6  -17   16 o  130.237   10.921  215.869   35.190  217.438   42.556  212.476   62.579  130.132   13.282  126.282   20.551 3.849770 24.46944 
1 1 1    6  -17   17 o   84.353   13.197   92.601   26.888   90.332   30.758   99.952   55.365   82.717   15.459   85.451   24.609 -2.734871 29.06202 
1 1 1    6  -17   18 o  227.211   11.042  654.177   62.653  615.247   79.565  717.714  101.648  218.680   14.655  234.850   17.457 -16.16998 22.79293 
1 1 1    6  -17   19 o  197.997   22.304  527.962  108.356   0.0000   0.0000  527.962  108.356  ?   ?   197.997   22.304 0.000000 22.30363 
1 1 1    6  -17   20 f  151.323   13.527  296.338   50.577  296.338   50.577   0.0000   0.0000  151.323   13.527  ?   ?  0.000000 13.52693 
1 1 1    6  -17   21 o   78.059   14.688   81.459   27.580   71.275   30.889  121.502   61.248   72.178   17.351   91.510   25.729 -19.33148 31.03287 
1 1 1    6  -17   22 o  158.659   12.036  326.176   47.332  344.647   56.152  280.839   87.973  162.087   14.011  138.072   26.478 24.01460 29.95663 
1 1 1    6  -17   23 o  143.131   18.715  282.988   65.290  282.988   65.290   0.0000   0.0000  143.131   18.715  ?   ?  0.000000 18.71505 
1 1 1    6  -17   24 o  114.573   13.175  174.792   37.009  182.631   43.219  153.243   71.659  115.931   15.303   97.232   27.996 18.69930 31.90515 
1 1 1    6  -17   25 o   36.918   15.289   7.9808   23.041   1.2200   25.297   40.904   55.824   35.769   15.460   59.626   24.139 -23.85738 28.66565 
1 1 1    6  -17   26 o   49.781   17.234   33.462   26.107   30.758   28.928   45.328   60.609   49.062   18.011   60.837   24.954 -11.77526 30.77518 
1 1 1    6  -17   27 o   57.829   22.379   46.064   46.010   94.287   67.438   4.0737   62.930   73.799   27.426   51.545   23.216 22.25361 35.93301 
1 1 1    6  -17   28 o   67.173   23.698   74.911   49.494   97.316   73.158   56.000   67.211   72.615   28.187   62.157   25.957 10.45816 38.31797 
1 1 1    6  -17   29 o  203.930   18.310  627.061   92.251  706.278  133.021  553.661  128.045  196.306   27.922  165.564   32.129 30.74217 42.56704 
1 1 1    6  -16    0 o  302.866   10.953  1149.03   82.837  1151.00  116.850  1147.04  117.451  302.239   15.535  301.698   15.643 0.5409546 22.04619 
1 1 1    6  -16    1 o  144.459   8.9000  262.154   31.950  288.493   44.418  233.915   45.991  151.232   11.856  135.811   13.750 15.42117 18.15605 
1 1 1    6  -16    2 o  166.198   8.8120  346.716   36.442  356.431   50.567  336.218   52.564  168.126   12.126  163.139   13.011 4.987518 17.78512 
1 1 1    6  -16    3 o  308.379   11.413  1192.93   87.889  1181.55  123.595  1204.56  125.003  305.757   16.246  308.721   16.272 -2.964386 22.99340 
1 1 1    6  -16    4 o  214.289   9.8001  575.547   52.442  638.908   73.184  508.672   75.185  225.070   13.077  200.372   15.138 24.69768 20.00429 
1 1 1    6  -16    5 f  302.099   16.049  1155.73  120.638  1149.67  168.740  1162.08  172.540  299.201   22.755  300.672   23.158 -1.471619 32.46647 
1 1 1    6  -16    6 f  194.662   9.8014  476.590   47.493  485.685   65.220  466.322   69.295  195.902   13.413  191.703   14.585 4.199310 19.81424 
1 1 1    6  -16    7 o  367.999   12.771  1706.22  117.364  1619.63  164.590  1795.78  167.402  356.310   18.562  375.935   17.832 -19.62503 25.73970 
1 1 1    6  -16    8 o  256.586   10.540  827.631   67.531  839.546   93.710  814.759   97.405  257.216   14.650  253.140   15.483 4.075394 21.31556 
1 1 1    6  -16    9 o  514.399   16.614  3364.80  213.419  3275.94  300.539  3455.18  303.118  502.684   23.942  516.604   23.497 -13.91995 33.54534 
1 1 1    6  -16   10 o  115.104   9.3969  167.557   26.774  167.728   34.131  167.285   43.172  114.686   12.100  113.758   15.609 0.9277420 19.74971 
1 1 1    6  -16   11 o  215.408   13.651  589.778   73.048  481.024  102.143  703.631  104.510  191.795   21.709  233.882   18.033 -42.08730 28.22177 
1 1 1    6  -16   12 o  193.003   9.9105  469.950   47.604  450.629   62.998  495.664   72.679  188.152   13.498  196.979   14.885 -8.827606 20.09386 
1 1 1    6  -16   13 o  265.048   11.289  886.479   74.718  877.900  102.130  896.358  109.599  262.046   15.679  264.390   16.686 -2.344879 22.89646 
1 1 1    6  -16   14 o   83.701   12.453   90.505   25.237  114.153   30.101   34.552   46.301   94.037   13.180   59.539   22.597 34.49825 26.16027 
1 1 1    6  -16   15 o  284.890   11.334  1025.17   80.636  920.784  108.749  1152.65  120.180  267.885   16.334  299.935   16.104 -32.04910 22.93833 
1 1 1    6  -16   16 o  299.102   16.131  1147.64  120.039  1001.98  153.846  1374.31  191.920  275.936   22.523  322.320   24.017 -46.38358 32.92553 
1 1 1    6  -16   17 o   89.220   12.101  102.604   26.265   91.623   30.266  136.089   52.854   83.518   15.066  100.289   21.732 -16.77078 26.44398 
1 1 1    6  -16   18 o  200.320   11.174  509.244   55.675  459.047   70.465  592.642   90.827  188.906   15.063  213.902   17.148 -24.99617 22.82424 
1 1 1    6  -16   19 o  209.586   15.507  566.612   80.581  552.628  115.171  580.023  112.785  203.093   23.121  208.795   21.960 -5.701370 31.88795 
1 1 1    6  -16   20 o  153.726   11.713  301.987   44.626  301.009   52.454  304.550   84.915  152.770   13.902  149.455   23.530 3.314819 27.32984 
1 1 1    6  -16   21 o  168.568   11.894  364.034   49.745  379.828   59.293  326.498   91.410  171.389   13.976  153.397   24.702 17.99277 28.38127 
1 1 1    6  -16   22 o  109.894   12.736  157.037   34.303  161.526   39.401  142.978   69.725  110.805   14.595   98.815   27.335 11.98953 30.98708 
1 1 1    6  -16   23 o   33.554   14.195   2.3584   20.512  -2.8874   22.265   31.788   52.736   32.874   14.353   58.846   23.589 -25.97267 27.61237 
1 1 1    6  -16   24 o   98.357   19.439  135.887   46.052  135.887   46.052   0.0000   0.0000   98.357   19.439  ?   ?  0.000000 19.43894 
1 1 1    6  -16   25 o  125.701   13.299  209.805   41.111  237.510   48.409  138.137   77.859  132.882   14.842   91.666   29.745 41.21526 33.24195 
1 1 1    6  -16   26 o   39.134   15.879   11.579   24.213   29.607   26.991 -62.7010   54.789   48.497   17.458   39.305   18.919 9.191986 25.74317 
1 1 1    6  -16   27 o   88.035   15.978  109.063   33.831  131.107   38.912   40.803   68.474   96.155   16.818   61.517   25.975 34.63791 30.94423 
1 1 1    6  -16   28 o   62.458   22.990   58.276   47.175   62.189   69.336   54.904   64.371   65.606   26.775   63.229   25.801 2.377010 37.18271 
1 1 1    6  -16   29 f  118.754   20.736  217.196   59.254  243.825   84.476  191.406   83.135  114.763   29.358   98.624   30.581 16.13820 42.39244 
1 1 1    6  -16   30 o   73.416   24.613   96.129   53.177  104.186   77.201   88.854   73.353   72.434   28.702   68.901   27.749 3.532768 39.92291 
1 1 1    6  -15    0 o  107.232   8.8561  144.796   23.503  167.040   33.099  122.175   33.378  114.903   11.699   97.716   14.085 17.18698 18.31006 
1 1 1    6  -15    1 o  444.793   20.978  2496.06  233.012  2442.00  328.987  2550.47  330.073  436.500   30.371  446.349   29.784 -9.848480 42.53808 
1 1 1    6  -15    2 o  219.585   9.4663  603.446   51.908  582.114   72.783  625.529   74.052  214.976   13.628  222.915   13.365 -7.939514 19.08776 
1 1 1    6  -15    3 o  273.116   10.558  934.334   72.011  912.753  101.182  956.484  102.508  269.077   15.120  275.495   14.956 -6.417908 21.26711 
1 1 1    6  -15    4 o  234.263   9.6517  687.254   56.462  650.502   78.858  725.916   80.880  227.124   13.971  240.042   13.548 -12.91789 19.46166 
1 1 1    6  -15    5 o  181.986   8.8681  414.682   40.301  395.211   55.574  436.279   58.529  176.961   12.660  185.969   12.679 -9.008057 17.91710 
1 1 1    6  -15    6 o  432.841   14.389  2358.68  155.528  2303.25  219.105  2414.96  220.805  425.888   20.602  436.210   20.270 -10.32199 28.90197 
1 1 1    6  -15    7 o  154.176   12.125  300.580   46.305  264.322   60.364  352.423   72.180  143.559   17.179  165.932   17.692 -22.37288 24.66077 
1 1 1    6  -15    8 o  716.014   22.157  6561.88  396.171  6413.94  559.299  6710.84  561.246  698.607   32.060  715.297   31.421 -16.69092 44.88977 
1 1 1    6  -15    9 o  141.458   8.8431  251.932   31.081  249.543   41.032  255.148   47.609  140.327   11.819  141.567   13.636 -1.240387 18.04515 
1 1 1    6  -15   10 o  200.364   8.2917  503.428   41.487  384.044   55.453  655.203   62.525  174.017   12.852  228.212   10.972 -54.19446 16.89813 
1 1 1    6  -15   11 o  377.269   13.017  1797.69  122.633  1752.37  171.647  1844.95  175.269  369.830   18.646  380.000   18.470 -10.17026 26.24528 
1 1 1    6  -15   12 o  159.288   9.7301  320.145   38.518  311.935   50.551  331.510   59.476  156.572   13.048  160.979   14.967 -4.407272 19.85550 
1 1 1    6  -15   13 o  179.002   13.610  407.991   60.383  436.263   84.139  377.966   86.706  183.636   18.605  170.031   20.858 13.60463 27.95000 
1 1 1    6  -15   14 o  163.096   10.007  336.035   40.558  321.397   52.789  357.126   63.365  158.745   13.443  166.873   15.379 -8.128296 20.42601 
1 1 1    6  -15   15 o  244.757   10.508  754.923   64.223  698.881   86.184  824.905   96.307  233.992   14.826  254.135   15.246 -20.14243 21.26622 
1 1 1    6  -15   16 o  114.615   10.370  166.875   29.360  148.268   35.473  207.344   52.314  107.309   13.539  126.226   17.031 -18.91712 21.75690 
1 1 1    6  -15   17 o  191.541   14.980  470.142   71.080  446.341   83.703  531.684  134.598  185.428   18.316  197.846   28.027 -12.41821 33.48118 
1 1 1    6  -15   18 o  411.866   15.851  2169.46  163.025  2021.89  269.488  2254.63  204.737  387.158   28.065  417.227   19.650 -30.06967 34.26023 
1 1 1    6  -15   19 o  240.411   15.050  741.149   89.896  741.149   89.896   0.0000   0.0000  240.411   15.050  ?   ?  0.000000 15.04975 
1 1 1    6  -15   20 o   64.798   15.689   55.949   25.115   73.352   28.228 -10.1663   55.019   74.307   15.704   50.671   22.330 23.63623 27.29934 
1 1 1    6  -15   21 o  168.526   12.018  362.731   50.244  376.809   59.905  329.332   92.269  171.052   14.152  155.156   24.638 15.89624 28.41275 
1 1 1    6  -15   22 o  105.293   18.126  148.471   45.940  110.572   63.791  189.303   66.213   88.647   26.654  116.854   23.505 -28.20718 35.53786 
1 1 1    6  -15   23 o  138.685   12.166  247.968   41.708  282.974   49.353  160.492   78.018  147.683   13.533  104.234   28.944 43.44901 31.95125 
1 1 1    6  -15   24 o  115.292   12.795  173.397   36.217  211.852   42.666   74.248   68.509  127.212   13.644   75.151   27.699 52.06046 30.87655 
1 1 1    6  -15   25 o   40.028   15.544   14.695   22.256   21.071   24.626 -13.7274   51.995   44.237   16.547   46.927   21.123 -2.689690 26.83209 
1 1 1    6  -15   26 o  106.420   19.773  161.026   50.612  161.026   50.612   0.0000   0.0000  106.420   19.773  ?   ?  0.000000 19.77294 
1 1 1    6  -15   27 f  109.076   13.457  159.663   35.878  208.133   42.095   30.953   68.597  124.513   13.769   60.639   25.818 63.87451 29.26020 
1 1 1    6  -15   28 f  121.917   13.452  200.560   40.273  206.121   47.346  186.005   76.594  121.851   15.942  104.288   28.568 17.56314 32.71516 
1 1 1    6  -15   29 o   79.388   16.008   89.758   30.639   91.996   36.350   84.268   56.939   78.683   18.764   71.926   25.413 6.757339 31.58974 
1 1 1    6  -15   30 o   46.236   19.673   15.091   39.780   37.223   62.369  -0.0877   51.651   57.801   24.614   46.828   21.068 10.97271 32.39909 
1 1 1    6  -15   31 o   76.317   23.717  100.601   49.971   82.492   77.531  113.469   65.357   67.806   28.060   77.265   27.235 -9.459259 39.10413 
1 1 1    6  -15   32 o   46.554   20.524   14.109   46.522   19.024   71.459   10.493   61.291   53.122   24.246   49.622   22.573 3.499794 33.12751 
1 1 1    6  -14    0 o  187.697   9.1293  440.556   42.790  408.751   60.335  472.744   60.696  180.130   13.512  193.893   12.604 -13.76326 18.47779 
1 1 1    6  -14    1 o  401.427   13.382  2019.06  134.148  2109.12  189.721  1929.00  189.708  409.626   18.547  391.622   19.398 18.00409 26.83838 
1 1 1    6  -14    2 o  490.300   15.839  3017.41  193.928  2943.95  273.973  3091.19  274.539  482.953   22.717  495.001   22.210 -12.04764 31.77018 
1 1 1    6  -14    3 o  470.600   21.986  2796.12  258.377  2848.60  365.235  2743.55  365.566  471.400   31.203  462.336   31.858 9.064697 44.59311 
1 1 1    6  -14    4 o  273.156   10.574  934.297   72.125  934.749  101.279  933.833  102.737  272.431   14.944  272.260   15.171 0.1702576 21.29543 
1 1 1    6  -14    5 o  184.620   8.8813  426.540   40.945  411.117   56.697  443.352   59.194  180.606   12.651  187.577   12.712 -6.971146 17.93466 
1 1 1    6  -14    6 o  230.031   9.7870  662.721   56.219  653.606   78.454  672.342   80.601  227.677   13.865  230.900   14.045 -3.222961 19.73608 
1 1 1    6  -14    7 o  211.209   9.3465  558.763   49.296  534.026   68.161  585.892   71.381  205.720   13.340  215.519   13.329 -9.798859 18.85751 
1 1 1    6  -14    8 o  221.289   9.6269  613.769   53.198  595.632   73.351  633.894   77.268  217.167   13.594  224.007   13.881 -6.839264 19.42929 
1 1 1    6  -14    9 o  601.139   27.091  4668.21  406.675  4404.20  572.834  4936.50  577.445  571.205   40.420  607.188   38.279 -35.98315 55.66975 
1 1 1    6  -14   10 o  438.989   14.392  2432.73  157.769  2287.37  221.828  2581.51  224.433  423.076   20.997  449.946   19.974 -26.87033 28.97988 
1 1 1    6  -14   11 o  528.909   16.984  3552.76  224.316  3413.82  315.882  3694.09  318.597  513.715   24.624  534.963   23.849 -21.24811 34.27959 
1 1 1    6  -14   12 o  129.574   8.5000  211.509   27.351  185.636   34.379  256.123   45.145  120.876   11.529  141.895   12.881 -21.01865 17.28711 
1 1 1    6  -14   13 o  669.286   21.254  5769.43  355.226  5597.84  500.940  5942.99  503.804  648.252   30.945  668.993   30.157 -20.74121 43.20934 
1 1 1    6  -14   14 o  103.344   14.599  137.987   36.628  123.925   49.711  154.688   54.175   96.260   21.249  107.898   20.861 -11.63789 29.77752 
1 1 1    6  -14   15 o  256.217   10.824  827.143   69.255  864.592   94.315  783.325  102.021  260.620   14.550  247.307   16.616 13.31261 22.08611 
1 1 1    6  -14   16 o  353.387   12.798  1580.05  112.938  1551.28  156.292  1611.48  163.379  347.460   18.075  353.889   18.552 -6.429504 25.90168 
1 1 1    6  -14   17 o  276.943   11.347  968.060   78.470  913.664  105.796  1034.58  116.994  267.215   15.927  284.128   16.561 -16.91367 22.97682 
1 1 1    6  -14   18 o  178.084   12.821  403.715   56.635  365.855   88.787  429.687   73.539  166.444   21.893  182.704   16.289 -16.26042 27.28776 
1 1 1    6  -14   19 o  231.390   14.341  683.802   82.456  516.795   95.204  1185.16  164.953  199.137   19.391  300.587   22.131 -101.4503 29.42430 
1 1 1    6  -14   20 o   92.875   13.400  111.746   30.180  134.967   34.550   36.985   61.994  102.107   13.912   65.437   25.787 36.67014 29.30023 
1 1 1    6  -14   21 o  154.732   11.766  305.062   45.123  325.768   53.605  254.717   83.586  159.402   13.597  136.331   25.489 23.07042 28.88898 
1 1 1    6  -14   22 o   67.958   15.389   61.544   25.509   70.478   28.600   26.785   56.412   72.645   16.180   60.257   24.311 12.38765 29.20349 
1 1 1    6  -14   23 o  221.686   12.472  628.712   68.765  702.011   83.330  472.245  121.748  233.391   14.367  183.791   27.361 49.60028 30.90419 
1 1 1    6  -14   24 o  180.148   11.958  416.470   53.489  494.958   64.667  246.438   95.180  195.844   13.302  129.078   30.085 66.76614 32.89415 
1 1 1    6  -14   25 o   64.827   16.078   57.216   25.901   69.258   29.370   15.079   54.940   71.188   16.793   55.321   23.308 15.86740 28.72729 
1 1 1    6  -14   26 o   83.759   15.022   94.633   30.265  129.882   34.968 -10.6188   60.423   98.607   14.645   51.235   22.938 47.37181 27.21506 
1 1 1    6  -14   27 f   63.988   19.878   57.752   35.106   57.752   35.106   0.0000   0.0000   63.988   19.878  ?   ?  0.000000 19.87780 
1 1 1    6  -14   28 o   97.505   14.157  128.669   33.464  147.623   39.850   83.336   61.629  103.555   15.920   74.010   26.408 29.54514 30.83552 
1 1 1    6  -14   29 o   40.839   16.131   15.679   24.314   19.783   28.157   3.6431   48.214   44.278   17.401   47.621   20.948 -3.342892 27.23250 
1 1 1    6  -14   30 o   40.832   16.446   14.638   25.766   20.428   29.962  -1.7985   50.484   44.941   17.858   46.815   20.963 -1.874165 27.53790 
1 1 1    6  -14   31 o   82.106   22.376  108.309   47.132   99.870   74.353  113.978   60.940   74.638   28.562   80.722   26.321 -6.084953 38.84064 
1 1 1    6  -14   32 o   58.761   22.438   52.469   45.823   72.335   73.976   40.100   58.370   65.827   27.339   56.766   23.976 9.061085 36.36317 
1 1 1    6  -14   33 o   72.224   23.861   94.083   50.020   59.478   78.615  117.620   64.836   61.295   26.861   76.673   27.115 -15.37785 38.16748 
1 1 1    6  -13    0 o  214.391   9.2658  574.695   49.607  613.282   70.156  536.111   70.153  220.967   12.769  206.450   13.685 14.51723 18.71679 
1 1 1    6  -13    1 o  291.184   10.849  1060.77   78.886  1076.03  111.535  1045.49  111.589  292.586   15.319  288.362   15.554 4.223328 21.83084 
1 1 1    6  -13    2 o  136.996   8.5353  235.545   29.054  236.253   40.674  234.808   41.517  136.856   12.024  136.397   12.322 0.4585266 17.21625 
1 1 1    6  -13    3 o  391.569   13.247  1920.85  129.527  1873.26  182.812  1968.83  183.548  386.009   18.965  395.790   18.571 -9.780365 26.54351 
1 1 1    6  -13    4 o  358.031   12.515  1605.75  111.889  1636.74  157.909  1574.51  158.563  360.905   17.521  353.462   18.024 7.442963 25.13678 
1 1 1    6  -13    5 o  207.907   13.517  544.254   69.794  584.716   97.960  502.538   99.466  214.784   18.443  198.662   20.336 16.12238 27.45371 
1 1 1    6  -13    6 o  623.403   19.242  4899.19  299.555  4598.29  422.837  5202.36  424.437  600.679   28.189  639.640   26.572 -38.96075 38.73885 
1 1 1    6  -13    7 o  190.050   9.1086  452.077   43.228  442.070   59.686  463.118   62.692  187.276   12.840  191.656   13.179 -4.379364 18.40006 
1 1 1    6  -13    8 o  471.793   15.432  2801.36  181.811  2744.63  256.280  2858.83  257.966  465.077   22.067  474.759   21.759 -9.682251 30.99028 
1 1 1    6  -13    9 o  589.935   18.633  4402.99  274.490  4221.41  387.232  4586.37  389.151  573.510   27.038  598.375   26.043 -24.86450 37.54086 
1 1 1    6  -13   10 o  270.742   13.804  925.210   93.020  755.000  127.121  1121.39  136.476  242.658   21.191  296.921   18.498 -54.26300 28.12891 
1 1 1    6  -13   11 o  562.415   25.729  4080.09  361.352  3948.95  508.681  4213.68  513.411  542.313   37.798  561.241   36.837 -18.92871 52.77915 
1 1 1    6  -13   12 o  194.600   9.1748  475.074   44.585  466.580   60.247  485.359   66.292  192.044   12.633  195.676   13.652 -3.631760 18.60058 
1 1 1    6  -13   13 o  487.789   16.084  3018.71  195.924  2922.45  275.641  3117.01  278.538  475.895   23.194  491.831   22.679 -15.93613 32.43913 
1 1 1    6  -13   14 o  148.983   9.4055  279.875   34.812  278.726   45.391  281.516   54.249  148.146   12.383  148.353   14.843 -0.2069397 19.33000 
1 1 1    6  -13   15 o  433.467   14.540  2381.50  157.391  2319.74  220.525  2445.62  224.702  424.513   20.803  435.981   20.639 -11.46835 29.30381 
1 1 1    6  -13   16 o  288.167   16.028  1059.97  114.882  1038.46  161.909  1081.78  163.031  281.890   23.207  287.930   22.862 -6.039551 32.57683 
1 1 1    6  -13   17 o  201.591   12.396  515.431   62.099  603.095   97.073  454.704   80.794  216.284   18.141  187.850   17.422 28.43474 25.15144 
1 1 1    6  -13   18 o  350.552   18.743  1582.67  163.479  1582.67  163.479   0.0000   0.0000  350.552   18.743  ?   ?  0.000000 18.74288 
1 1 1    6  -13   19 o  105.166   11.183  141.094   28.919  138.238   34.756  147.522   52.134  103.515   13.788  105.145   20.592 -1.630196 24.78221 
1 1 1    6  -13   20 o  262.954   21.479  904.529  139.810  904.529  139.810   0.0000   0.0000  262.954   21.479  ?   ?  0.000000 21.47914 
1 1 1    6  -13   21 o  354.056   15.484  1601.36  136.904  1742.62  167.249  1314.51  238.333  367.753   18.212  309.054   31.314 58.69931 36.22482 
1 1 1    6  -13   22 o   52.711   15.709   36.091   22.230   37.400   24.800   30.737   50.147   53.942   16.699   59.400   23.259 -5.458179 28.63250 
1 1 1    6  -13   23 o  101.930   12.815  134.151   31.897  154.928   36.946   73.336   63.209  109.370   13.837   76.429   26.796 32.94153 30.15749 
1 1 1    6  -13   24 o  387.204   16.403  1939.79  158.608  2014.75  193.834  1787.89  275.918  390.964   19.920  354.630   31.484 36.33359 37.25669 
1 1 1    6  -13   25 o  148.551   14.915  287.893   54.580  273.724   79.836  300.326   74.787  140.497   23.591  148.950   20.663 -8.453262 31.36110 
1 1 1    6  -13   26 o  109.365   12.182  155.325   32.703  176.493   39.310  107.741   58.938  116.042   13.838   86.348   25.543 29.69431 29.05068 
1 1 1    6  -13   27 o   76.150   14.920   78.404   27.357   96.658   32.387   32.950   51.106   84.350   15.960   58.389   23.285 25.96096 28.22946 
1 1 1    6  -13   28 o   82.099   14.313   91.068   28.276   98.585   33.435   72.191   52.986   84.562   16.426   71.029   24.554 13.53289 29.54153 
1 1 1    6  -13   29 o   92.249   20.835  124.816   46.861  124.816   46.861   0.0000   0.0000   92.249   20.835  ?   ?  0.000000 20.83452 
1 1 1    6  -13   30 o  141.943   12.632  268.109   44.308  342.721   54.457  121.972   76.213  159.681   13.792   84.450   29.433 75.23034 32.50463 
1 1 1    6  -13   31 o  127.943   12.773  219.872   40.264  232.195   48.923  194.000   70.885  129.492   15.433  108.302   26.440 21.19030 30.61486 
1 1 1    6  -13   32 o  104.426   20.221  165.211   50.825  203.004   79.806  139.423   65.923  105.454   29.270   88.794   27.183 16.66046 39.94565 
1 1 1    6  -13   33 o   45.601   19.779   11.900   41.694   88.600   69.823 -30.6082   51.980   70.110   27.447   41.087   19.391 29.02309 33.60550 
1 1 1    6  -13   34 o   63.783   23.409   70.330   48.859  144.598   79.010   24.346   62.171   81.310   29.779   52.778   23.473 28.53125 37.91839 
1 1 1    6  -12    0 o  259.293   14.295  844.584   92.200  929.872  130.844  760.468  129.942  271.445   19.431  245.027   21.453 26.41846 28.94472 
1 1 1    6  -12    1 o  186.260   8.9883  433.710   41.807  451.083   59.121  416.333   59.127  189.427   12.570  181.895   13.105 7.532059 18.15858 
1 1 1    6  -12    2 o  609.293   19.207  4662.55  292.244  4617.57  413.197  4707.57  413.396  604.526   27.371  610.454   27.118 -5.928955 38.53018 
1 1 1    6  -12    3 o  176.159   8.7351  387.956   38.426  389.300   53.848  386.561   54.851  175.924   12.335  175.270   12.616 0.6533051 17.64468 
1 1 1    6  -12    4 o  366.246   12.662  1679.58  115.808  1740.18  163.586  1618.69  163.969  372.303   17.595  358.521   18.376 13.78198 25.44185 
1 1 1    6  -12    5 o  288.306   10.708  1040.11   77.095  1010.96  108.538  1069.80  109.526  283.493   15.389  291.690   15.088 -8.196777 21.55178 
1 1 1    6  -12    6 o  226.843   13.867  647.501   78.177  681.113  110.046  613.253  111.080  231.884   19.176  219.718   20.481 12.16583 28.05729 
1 1 1    6  -12    7 o  525.415   23.813  3493.60  312.439  3229.89  440.916  3759.57  442.800  499.966   35.547  540.834   32.943 -40.86804 48.46506 
1 1 1    6  -12    8 o  285.267   10.518  1019.11   74.926  956.615  104.890  1084.23  107.067  275.504   15.306  293.834   14.592 -18.33023 21.14707 
1 1 1    6  -12    9 f  172.052   8.8611  371.483   37.942  351.036   51.584  395.585   56.005  166.813   12.474  177.099   12.749 -10.28600 17.83608 
1 1 1    6  -12   10 o  200.834   9.2423  505.142   46.352  522.882   63.621  485.072   67.669  203.688   12.569  195.945   13.920 7.742310 18.75518 
1 1 1    6  -12   11 o  283.999   10.165  1011.33   72.088  914.092  100.167  1115.79  103.826  268.933   14.975  297.750   13.964 -28.81693 20.47501 
1 1 1    6  -12   12 o  200.262   12.480  506.338   62.102  422.242   82.100  618.807   94.945  181.575   18.359  220.397   17.392 -38.82213 25.28909 
1 1 1    6  -12   13 o   64.854   10.734   54.220   16.776   49.944   19.694   65.529   32.027   61.807   13.163   70.504   18.099 -8.697208 22.37940 
1 1 1    6  -12   14 o  196.694   9.6499  485.750   47.399  487.586   64.194  483.548   70.284  196.168   13.181  195.046   14.534 1.122726 19.62089 
1 1 1    6  -12   15 o  295.891   11.232  1102.13   82.995  1116.71  115.000  1086.28  119.900  296.335   15.595  291.938   16.514 4.396729 22.71429 
1 1 1    6  -12   16 o  119.282   9.9491  180.085   29.365  187.044   37.026  168.290   48.208  121.135   12.416  113.648   17.552 7.487549 21.49946 
1 1 1    6  -12   17 o   93.930   14.322  114.246   32.531  127.815   49.375  103.837   43.245   97.893   20.837   88.227   20.080 9.665314 28.93757 
1 1 1    6  -12   18 o  142.014   10.814  255.505   38.062  285.156   45.220  183.452   70.491  149.791   12.195  116.436   24.991 33.35573 27.80789 
1 1 1    6  -12   19 o  117.476   11.098  175.507   32.170  219.473   39.921   94.071   54.332  131.230   12.326   83.854   24.445 47.37605 27.37701 
1 1 1    6  -12   20 o  315.217   12.020  1255.57   94.613  1220.39  128.119  1297.77  140.316  308.653   16.684  317.788   17.753 -9.134583 24.36222 
1 1 1    6  -12   21 o  299.155   13.600  1135.59  101.596  1237.05  123.739  925.706  177.972  310.901   15.992  262.510   27.560 48.39069 31.86421 
1 1 1    6  -12   22 o  121.931   17.544  194.507   51.879  194.507   51.879   0.0000   0.0000  121.931   17.544  ?   ?  0.000000 17.54350 
1 1 1    6  -12   23 o   33.841   13.717   6.2874   18.050   6.1600   20.161   6.8019   40.521   35.334   14.431   47.853   20.081 -12.51922 24.72878 
1 1 1    6  -12   24 o  179.806   11.463  411.274   51.204  460.192   62.339  309.833   89.770  189.667   13.245  150.836   24.687 38.83116 28.01576 
1 1 1    6  -12   25 o  183.548   11.639  429.758   53.072  512.743   65.058  264.667   91.762  200.004   13.098  136.886   27.793 63.11765 30.72519 
1 1 1    6  -12   26 o  155.480   14.482  314.190   55.583  431.865   82.447  216.148   75.256  180.354   18.572  123.780   25.203 56.57454 31.30681 
1 1 1    6  -12   27 o  106.224   12.531  146.871   32.601  153.021   39.219  133.118   58.646  107.537   15.014   96.223   24.378 11.31396 28.63056 
1 1 1    6  -12   28 f   72.211   15.226   70.808   26.591   75.259   31.695   60.231   48.860   73.758   17.476   67.143   23.558 6.615120 29.33221 
1 1 1    6  -12   29 o   74.169   15.510   75.504   27.803   79.092   33.102   66.909   51.231   75.014   17.917   69.056   24.128 5.958054 30.05356 
1 1 1    6  -12   30 f  105.284   20.412  160.268   51.729  160.268   51.729   0.0000   0.0000  105.284   20.412  ?   ?  0.000000 20.41189 
1 1 1    6  -12   31 o  124.793   12.530  207.168   38.521  217.368   47.048  186.423   67.094  126.057   15.257  108.803   25.191 17.25409 29.45075 
1 1 1    6  -12   32 o   73.766   16.876   78.192   30.413   57.814   36.250  126.633   55.889   62.560   20.295   88.714   24.445 -26.15380 31.77226 
1 1 1    6  -12   33 o   61.805   18.266   56.772   30.153   63.147   36.015   41.830   55.142   64.372   20.156   58.175   23.825 6.196918 31.20740 
1 1 1    6  -12   34 o   56.305   21.915   44.926   44.318   52.792   72.100   40.150   56.185   61.868   26.408   56.735   23.716 5.132557 35.49458 
1 1 1    6  -11    0 o  431.085   14.327  2327.22  154.235  2274.00  218.105  2380.45  218.138  425.464   20.528  435.368   20.064 -9.904144 28.70512 
1 1 1    6  -11    1 o  532.298   24.165  3568.03  321.209  3440.96  454.186  3695.19  454.329  519.131   35.244  538.468   33.962 -19.33734 48.94439 
1 1 1    6  -11    2 o  344.539   17.146  1488.65  147.520  1522.58  208.844  1454.86  208.407  346.862   24.264  338.921   24.796 7.940552 34.69282 
1 1 1    6  -11    3 o  234.278   9.8273  686.318   57.493  665.448   81.147  707.355   81.469  230.071   14.193  237.272   13.809 -7.201721 19.80288 
1 1 1    6  -11    4 o  425.698   14.057  2269.79  149.435  2208.57  211.096  2331.29  211.572  419.225   20.164  430.782   19.668 -11.55707 28.16753 
1 1 1    6  -11    5 o  458.445   14.843  2633.88  169.925  2586.96  239.997  2681.04  240.626  453.479   21.193  461.703   20.870 -8.224030 29.74433 
1 1 1    6  -11    6 o  327.465   11.582  1342.13   94.709  1309.69  133.445  1375.06  134.437  322.650   16.619  331.070   16.261 -8.420288 23.25086 
1 1 1    6  -11    7 o  340.294   11.663  1449.75   99.109  1358.03  139.340  1543.66  140.998  328.422   17.049  350.719   16.099 -22.29745 23.44857 
1 1 1    6  -11    8 o  165.738   12.716  346.206   52.228  361.859   72.512  329.332   75.288  168.787   17.456  160.648   19.144 8.139130 25.90766 
1 1 1    6  -11    9 o   71.314   10.711   65.091   18.485   87.850   23.564   28.676   29.806   82.928   11.704   51.556   18.369 31.37117 21.78053 
1 1 1    6  -11   10 o  612.922   18.759  4738.41  287.125  4440.37  405.022  5039.53  407.099  589.927   27.493  629.224   25.909 -39.29675 37.77763 
1 1 1    6  -11   11 o  451.927   14.803  2568.80  167.054  2457.31  235.240  2682.24  237.273  440.267   21.397  460.215   20.646 -19.94836 29.73339 
1 1 1    6  -11   12 o  208.615   8.3893  544.869   43.704  468.818   59.481  634.100   64.429  192.805   12.420  224.487   11.532 -31.68248 16.94840 
1 1 1    6  -11   13 o  298.476   11.075  1118.47   82.550  1065.87  114.817  1174.75  118.771  290.108   15.909  304.671   15.664 -14.56296 22.32642 
1 1 1    6  -11   14 o   99.858   14.642  128.453   35.427  164.750   42.723   48.563   63.384  113.155   15.529   70.322   26.499 42.83347 30.71390 
1 1 1    6  -11   15 o   71.885   11.099   66.469   19.282   73.237   23.126   51.033   34.926   75.220   12.768   63.416   19.848 11.80406 23.59996 
1 1 1    6  -11   16 o  127.285   15.182  208.000   47.303   0.0000   0.0000  208.000   47.303  ?   ?   127.285   15.182 0.000000 15.18151 
1 1 1    6  -11   17 o  114.357   12.541  166.923   35.225  166.923   35.225   0.0000   0.0000  114.357   12.541  ?   ?  0.000000 12.54067 
1 1 1    6  -11   18 o   64.647   12.987   54.646   20.238   78.936   24.050  -4.2788   37.459   78.078   12.777   43.229   18.748 34.84932 22.68814 
1 1 1    6  -11   19 o  114.211   13.849  167.508   38.691  139.978   53.216  198.382   56.355  102.343   21.506  123.098   18.940 -20.75451 28.65685 
1 1 1    6  -11   20 o  335.491   12.313  1421.93  103.158  1325.01  141.010  1533.51  151.308  321.446   17.634  345.909   17.574 -24.46292 24.89611 
1 1 1    6  -11   21 o  146.908   11.131  273.692   40.532  330.238   49.025  151.554   72.052  161.197   12.271  105.108   27.231 56.08932 29.86816 
1 1 1    6  -11   22 o  141.110   10.980  252.657   38.386  272.803   46.358  208.714   68.465  146.249   12.823  124.821   22.805 21.42820 26.16304 
1 1 1    6  -11   23 o  176.296   18.154  403.546   78.779  403.546   78.779   0.0000   0.0000  176.296   18.154  ?   ?  0.000000 18.15405 
1 1 1    6  -11   24 o  154.863   11.712  305.168   44.959  360.780   54.477  186.399   79.612  168.083   13.082  115.678   27.886 52.40490 30.80225 
1 1 1    6  -11   25 o   55.775   15.677   41.031   22.744   61.749   26.556 -15.9911   44.056   68.061   15.910   43.771   19.592 24.28958 25.23880 
1 1 1    6  -11   26 o  145.408   11.938  270.559   42.965  365.424   52.587   80.102   74.512  168.924   12.556   80.085   28.982 88.83887 31.58455 
1 1 1    6  -11   27 o   56.947   15.988   43.322   23.668   52.437   28.060   20.852   44.057   62.391   17.370   53.216   21.480 9.174274 27.62433 
1 1 1    6  -11   28 o   33.001   15.239 -21.0635   29.381 -15.6724   48.224 -24.2459   37.051   45.333   20.380   37.322   17.191 8.011665 26.66223 
1 1 1    6  -11   29 o   51.161   16.490   34.269   23.959   38.194   28.755   25.357   43.326   54.212   18.100   53.511   21.405 0.7015724 28.03200 
1 1 1    6  -11   30 o   83.636   14.519   94.488   29.223  128.494   35.551   23.630   51.318   97.567   15.077   55.200   22.835 42.36714 27.36378 
1 1 1    6  -11   31 o   57.618   17.099   46.338   26.381   48.028   31.330   42.220   48.905   58.716   18.849   59.404   23.049 -0.6885490 29.77547 
1 1 1    6  -11   32 o   27.241   12.850 -22.4327   22.782 -32.8854   26.395   8.0968   45.110   27.779   13.308   47.737   20.639 -19.95805 24.55749 
1 1 1    6  -11   33 o   61.263   17.931   54.451   29.181   63.465   35.129   34.386   52.413   65.378   19.807   56.563   23.204 8.815365 30.50797 
1 1 1    6  -11   34 f   32.094   14.594 -10.2277   25.584 -19.9814   30.534   12.755   46.871   32.905   15.312   48.480   20.999 -15.57528 25.98863 
1 1 1    6  -11   35 o   42.824   19.041   1.6639   40.878   35.068   69.041 -16.3669   50.724   57.901   25.278   43.060   19.933 14.84137 32.19171 
1 1 1    6  -10    0 o  186.884   8.9245  436.586   41.649  437.317   59.103  435.866   58.701  186.493   12.768  186.189   12.701 0.3040466 18.00925 
1 1 1    6  -10    1 o  493.162   15.848  3047.74  195.172  3108.23  276.134  2987.36  275.896  497.159   22.242  487.328   22.671 9.830444 31.75987 
1 1 1    6  -10    2 o  811.708   24.927  8300.47  505.272  8130.12  714.362  8471.01  714.762  799.573   35.777  816.459   35.057 -16.88611 50.09022 
1 1 1    6  -10    3 o  219.134   13.317  603.320   72.529  553.202  102.688  653.213  102.456  208.954   19.921  227.462   18.190 -18.50758 26.97616 
1 1 1    6  -10    4 o  801.851   35.054  8174.24  701.912  7787.71  992.019  8561.75  993.291  773.077   51.684  812.302   49.200 -39.22473 71.35709 
1 1 1    6  -10    5 o  553.833   17.248  3847.23  238.549  3618.10  336.916  4077.57  337.803  535.716   25.185  569.014   23.773 -33.29712 34.63293 
1 1 1    6  -10    6 f  528.469   16.861  3502.93  222.516  3365.03  314.322  3641.47  315.048  516.692   24.361  537.679   23.464 -20.98694 33.82328 
1 1 1    6  -10    7 o  432.510   13.941  2343.42  150.574  2246.56  212.474  2441.14  213.416  422.720   20.128  440.756   19.390 -18.03528 27.94836 
1 1 1    6  -10    8 o  587.664   18.387  4339.12  269.826  4202.43  381.025  4476.63  382.162  576.405   26.471  595.128   25.715 -18.72321 36.90512 
1 1 1    6  -10    9 o   91.711   9.1088  106.232   20.585  102.475   26.998  111.448   31.814   89.609   12.397   93.249   14.103 -3.640213 18.77702 
1 1 1    6  -10   10 o  354.321   17.897  1583.43  157.840  1719.48  222.814  1446.39  223.626  367.720   24.403  336.462   26.839 31.25803 36.27462 
1 1 1    6  -10   11 o  124.330   9.1434  194.488   28.189  212.285   37.378  171.018   42.924  129.630   11.672  115.688   15.228 13.94111 19.18683 
1 1 1    6  -10   12 o  328.543   11.837  1353.75   97.118  1299.15  136.032  1410.52  138.697  320.644   17.050  334.644   16.597 -13.99985 23.79452 
1 1 1    6  -10   13 o  160.145   8.8566  322.120   35.281  312.071   47.324  334.695   52.937  157.204   12.149  162.685   13.143 -5.481583 17.89787 
1 1 1    6  -10   14 o  422.419   14.064  2246.97  148.358  2208.43  208.498  2286.50  211.147  416.973   20.024  424.313   19.927 -7.340424 28.24962 
1 1 1    6  -10   15 o  355.253   17.358  1599.33  153.987  1493.57  213.320  1714.40  222.513  339.645   25.333  364.366   24.599 -24.72122 35.31128 
1 1 1    6  -10   16 o  174.345   9.8638  382.790   42.768  411.579   57.389  346.830   64.139  180.286   12.831  164.799   15.778 15.48689 20.33673 
1 1 1    6  -10   17 o  160.954   9.3059  326.253   37.244  325.484   48.600  327.349   57.972  160.266   12.236  160.222   14.651 0.4377747E-01 19.08881 
1 1 1    6  -10   18 o  177.687   9.7598  397.857   43.140  376.328   56.740  427.354   66.414  172.114   13.305  183.157   14.643 -11.04366 19.78473 
1 1 1    6  -10   19 o  163.153   9.9389  335.860   40.300  356.628   52.723  306.672   62.503  167.604   12.691  154.448   16.459 13.15599 20.78395 
1 1 1    6  -10   20 o   79.493   15.193   82.792   29.059  104.752   43.716   65.405   38.897   88.601   20.206   70.587   20.714 18.01422 28.93692 
1 1 1    6  -10   21 o  237.020   12.071  710.976   71.209  819.007   87.034  492.219  123.850  253.932   13.777  191.965   26.546 61.96626 29.90826 
1 1 1    6  -10   22 o  181.154   11.254  415.408   50.660  468.532   61.703  305.521   88.743  192.022   12.943  151.287   24.313 40.73547 27.54399 
1 1 1    6  -10   23 o  102.155   11.531  133.364   28.902  131.202   34.625  138.330   52.482  100.733   14.156  101.573   21.368 -0.8400497 25.63141 
1 1 1    6  -10   24 o  238.992   12.154  724.360   72.297  810.233   88.455  551.558  125.479  252.133   14.106  203.171   25.278 48.96242 28.94766 
1 1 1    6  -10   25 o  257.434   21.470  869.653  136.760  869.653  136.760   0.0000   0.0000  257.434   21.470  ?   ?  0.000000 21.46958 
1 1 1    6  -10   26 o  129.213   11.573  213.135   36.948  273.252   45.176   91.690   64.211  146.183   12.496   82.969   27.016 63.21384 29.76622 
1 1 1    6  -10   27 o   92.670   13.032  111.547   29.324  147.913   35.535   33.913   51.920  106.774   13.639   60.633   23.687 46.14162 27.33284 
1 1 1    6  -10   28 o   59.721   15.982   47.888   24.304   67.009   28.458  -3.6437   46.718   70.467   16.468   47.649   20.798 22.81809 26.52863 
1 1 1    6  -10   29 o  101.472   17.549  139.108   42.860  329.230   65.878  -0.4254   56.437  157.424   17.029   52.426   22.872 104.9984 28.51535 
1 1 1    6  -10   30 o   28.601   12.981 -10.4832   20.122  -8.9958   22.924 -15.4745   41.994   31.326   14.069   41.819   18.888 -10.49297 23.55227 
1 1 1    6  -10   31 o   84.545   14.801   96.748   30.111  120.197   36.022   42.359   54.860   93.925   15.927   61.623   24.266 32.30260 29.02578 
1 1 1    6  -10   32 o  101.004   13.874  137.012   34.069  167.458   41.445   73.566   59.829  110.989   15.366   71.269   25.942 39.71967 30.15138 
1 1 1    6  -10   33 o   67.176   21.770   66.604   41.715   66.604   41.715   0.0000   0.0000   67.176   21.770  ?   ?  0.000000 21.76950 
1 1 1    6  -10   34 o   67.030   17.738   65.294   30.153   82.544   37.185   32.172   51.525   74.414   19.701   55.789   22.960 18.62493 30.25405 
1 1 1    6  -10   35 o   43.508   17.436   18.451   28.805   13.505   35.579   27.861   49.076   44.514   18.756   53.147   22.186 -8.633121 29.05192 
1 1 1    6  -10   36 o   48.132   20.497   18.775   43.252   45.949   71.966   3.4099   54.117   60.606   26.135   48.000   21.583 12.60574 33.89502 
1 1 1    6   -9    0 o   57.955   9.8064   43.161   13.686   37.375   19.877   48.376   18.872   53.730   14.485   61.031   12.792 -7.301891 19.32475 
1 1 1    6   -9    1 o  619.508   19.433  4819.12  300.635  4649.51  425.034  4988.93  425.292  606.659   28.056  628.660   27.091 -22.00171 39.00069 
1 1 1    6   -9    2 o  741.693   22.628  6920.12  419.110  6975.10  592.829  6865.17  592.592  741.880   32.000  735.927   32.246 5.953125 45.42862 
1 1 1    6   -9    3 f  324.427   11.713  1316.79   94.890  1289.33  134.166  1344.26  134.224  320.253   16.836  327.066   16.487 -6.813477 23.56389 
1 1 1    6   -9    4 o  769.645   22.877  7451.73  439.687  6932.43  621.204  7973.05  622.420  739.138   33.656  793.494   31.412 -54.35681 46.03683 
1 1 1    6   -9    5 o  280.412   14.833  987.643  103.500  1152.26  146.733  824.643  146.011  302.327   19.540  254.975   23.185 47.35243 30.32110 
1 1 1    6   -9    6 o  509.641   16.045  3255.41  204.195  3023.95  288.328  3488.31  289.224  490.112   23.558  526.676   21.991 -36.56409 32.22699 
1 1 1    6   -9    7 o  353.590   12.190  1564.65  107.636  1472.56  151.844  1657.66  152.600  342.122   17.835  363.573   16.808 -21.45139 24.50693 
1 1 1    6   -9    8 o  423.941   14.156  2251.41  149.861  2216.45  211.458  2286.69  212.415  419.930   20.165  426.564   19.941 -6.633301 28.35973 
1 1 1    6   -9    9 o  694.816   21.421  6076.99  371.668  5825.91  524.982  6329.29  526.256  677.305   31.039  706.413   29.832 -29.10785 43.05109 
1 1 1    6   -9   10 o  511.776   16.026  3286.89  204.806  3019.76  288.786  3557.20  290.501  489.084   23.645  531.239   21.898 -42.15518 32.22763 
1 1 1    6   -9   11 o  559.682   17.595  3938.68  245.920  3737.90  346.914  4141.48  348.659  543.121   25.578  572.066   24.406 -28.94507 35.35437 
1 1 1    6   -9   12 o  763.108   34.022  7492.23  648.327  7678.62  916.945  7305.90  916.801  759.720   48.587  739.730   49.923 19.99060 69.66335 
1 1 1    6   -9   13 o  151.343   9.1022  287.740   34.240  297.225   46.209  276.191   50.989  153.467   12.157  147.636   13.998 5.831223 18.53986 
1 1 1    6   -9   14 o  286.996   10.097  1032.18   72.366  929.859  100.324  1143.15  104.484  271.431   14.857  301.545   13.875 -30.11383 20.32910 
1 1 1    6   -9   15 o  425.284   19.484  2294.15  206.927   0.0000   0.0000  2294.15  206.927  ?   ?   425.284   19.484 0.000000 19.48437 
1 1 1    6   -9   16 o  134.629   12.853  230.139   42.688  230.139   42.688   0.0000   0.0000  134.629   12.853  ?   ?  0.000000 12.85347 
1 1 1    6   -9   17 o  343.695   16.417  1496.66  140.900  1311.84  193.444  1705.52  205.641  318.087   24.543  363.825   22.749 -45.73746 33.46430 
1 1 1    6   -9   18 o  170.487   9.0322  365.701   38.316  350.272   50.596  386.447   58.671  166.299   12.270  174.454   13.575 -8.154480 18.29839 
1 1 1    6   -9   19 o  251.094   10.475  792.777   65.680  878.494   89.743  693.908   96.383  263.323   13.695  233.105   16.668 30.21838 21.57225 
1 1 1    6   -9   20 o  259.155   10.995  845.481   71.158  892.404   96.748  790.187  105.025  265.018   14.676  248.578   17.022 16.44014 22.47508 
1 1 1    6   -9   21 o  494.985   15.762  3113.50  194.834  3079.47  272.213  3149.24  278.986  487.999   22.338  493.258   22.649 -5.259033 31.81154 
1 1 1    6   -9   22 o  131.277   13.394  220.211   43.292  254.517   62.352  188.277   60.156  139.955   18.277  119.276   20.962 20.67918 27.81084 
1 1 1    6   -9   23 o  326.055   14.077  1347.84  114.618  1478.66  140.399  1086.45  198.463  340.543   16.510  285.143   28.243 55.39996 32.71474 
1 1 1    6   -9   24 o  128.695   11.066  210.368   35.216  265.651   42.812   94.690   61.929  144.537   11.969   84.587   26.422 59.95039 29.00640 
1 1 1    6   -9   25 o  162.629   11.255  335.435   45.427  426.880   55.667  153.151   78.595  183.311   12.231  105.174   28.992 78.13697 31.46607 
1 1 1    6   -9   26 o  303.450   23.733  1217.89  178.410  1217.89  178.410   0.0000   0.0000  303.450   23.733  ?   ?  0.000000 23.73304 
1 1 1    6   -9   27 o  353.495   15.024  1598.51  132.623  1856.77  162.538  1084.05  229.404  379.610   17.146  276.578   33.926 103.0316 38.01290 
1 1 1    6   -9   28 o   61.532   16.222   50.614   25.281   75.367   29.590 -16.2944   48.650   75.078   16.254   46.010   20.592 29.06767 26.23400 
1 1 1    6   -9   29 o   90.972   13.894  108.604   30.561  176.804   36.377 -55.0261   56.346  116.927   12.661   42.809   20.199 74.11826 23.83861 
1 1 1    6   -9   30 o   88.896   13.504  104.072   29.034  124.783   34.865   57.210   52.444   97.014   14.865   67.421   24.327 29.59253 28.50911 
1 1 1    6   -9   31 o   59.798   20.500   46.744   36.898   74.874   55.902   25.028   49.116   73.342   25.228   55.480   22.576 17.86175 33.85479 
1 1 1    6   -9   32 o  162.839   12.164  345.882   49.104  434.507   59.998  166.080   85.459  181.862   13.304  100.877   30.961 80.98589 33.69796 
1 1 1    6   -9   33 o  166.666   12.189  364.408   50.379  430.722   61.592  230.353   87.572  180.066   13.803  118.693   29.636 61.37257 32.69253 
1 1 1    6   -9   34 o  130.519   21.381  249.734   67.273  249.734   67.273   0.0000   0.0000  130.519   21.381  ?   ?  0.000000 21.38092 
1 1 1    6   -9   35 o   62.279   18.614   56.544   31.180  129.071   38.829 -75.1346   52.320   95.465   16.907   36.400   17.745 59.06462 24.50993 
1 1 1    6   -9   36 o   97.311   16.190  134.479   37.959  185.674   47.925   48.292   62.183  113.586   17.455   61.229   25.214 52.35693 30.66620 
1 1 1    6   -9   37 o   77.955   22.224   99.380   45.372   99.380   45.372   0.0000   0.0000   77.955   22.224  ?   ?  0.000000 22.22431 
1 1 1    6   -8    0 o  107.184   11.730  145.488   30.884  147.508   43.878  143.504   43.477  107.134   16.966  105.622   17.066 1.511971 24.06421 
1 1 1    6   -8    1 o  410.059   13.721  2105.95  140.506  2129.89  198.810  2082.06  198.601  411.761   19.335  407.085   19.536 4.675842 27.48656 
1 1 1    6   -8    2 o  305.867   11.205  1170.41   85.581  1204.37  121.224  1136.66  120.836  309.584   15.732  300.680   16.152 8.903870 22.54774 
1 1 1    6   -8    3 o  254.797   9.9605  811.809   63.376  825.434   89.712  798.235   89.543  256.355   14.068  252.059   14.285 4.295074 20.04860 
1 1 1    6   -8    4 o  391.621   13.139  1919.73  128.495  1874.56  181.646  1964.96  181.793  386.480   18.821  395.734   18.396 -9.254730 26.31828 
1 1 1    6   -8    5 o  611.222   19.022  4688.82  290.342  4536.11  410.409  4841.83  410.802  599.523   27.413  619.601   26.550 -20.07788 38.16285 
1 1 1    6   -8    6 f  248.134   10.024  769.869   62.115  731.011   87.667  809.043   88.023  241.157   14.627  253.819   13.941 -12.66237 20.20605 
1 1 1    6   -8    7 o  274.054   14.423  943.181   98.360  781.109  138.457  1108.31  139.756  248.199   22.586  296.564   18.971 -48.36487 29.49608 
1 1 1    6   -8    8 o  230.328   9.7738  663.340   56.216  668.116   79.104  658.467   79.905  230.582   13.801  228.878   14.048 1.703644 19.69352 
1 1 1    6   -8    9 o  627.020   19.689  4939.08  308.292  4936.36  435.730  4941.81  436.252  624.919   27.922  625.260   27.940 -0.3402710 39.50025 
1 1 1    6   -8   10 o  962.613   29.042 11737.21  698.114 11280.96  986.478 12194.94  988.089  936.331   42.190  974.591   40.600 -38.26050 58.55182 
1 1 1    6   -8   11 o  444.272   14.495  2474.33  160.812  2458.28  226.784  2490.56  228.067  441.938   20.549  444.833   20.531 -2.894989 29.04840 
1 1 1    6   -8   12 o  360.123   12.729  1625.04  114.473  1706.50  161.099  1541.96  162.692  368.457   17.509  349.592   18.704 18.86563 25.62012 
1 1 1    6   -8   13 o  488.698   22.680  3021.04  276.774  3153.48  391.336  2888.49  391.499  495.269   31.810  473.248   33.341 22.02142 46.08121 
1 1 1    6   -8   14 o  238.664   9.5579  713.139   56.964  633.137   78.403  802.589   82.903  224.089   14.082  252.541   13.192 -28.45180 19.29587 
1 1 1    6   -8   15 o  156.084   9.4311  306.232   36.587  342.582   49.120  260.932   54.835  164.796   12.019  143.130   15.594 21.66547 19.68825 
1 1 1    6   -8   16 o   64.469   10.610   53.490   16.487   66.798   19.916   24.515   29.387   72.076   11.448   49.320   18.147 22.75592 21.45587 
1 1 1    6   -8   17 o  205.138   9.6408  527.745   49.386  553.754   67.397  497.585   72.576  209.371   12.954  198.071   14.779 11.30014 19.65312 
1 1 1    6   -8   18 o  282.701   14.510  1011.72  102.090  862.709  137.529  1194.60  152.360  258.846   21.470  305.401   20.090 -46.55499 29.40392 
1 1 1    6   -8   19 o  146.702   9.3690  271.191   34.143  265.786   44.486  278.939   53.263  144.722   12.430  147.842   14.619 -3.119888 19.18882 
1 1 1    6   -8   20 o  369.139   12.501  1718.19  115.236  1648.59  159.971  1793.27  166.141  359.778   17.806  375.265   17.729 -15.48630 25.12689 
1 1 1    6   -8   21 o   76.368   11.263   74.973   20.834   71.338   25.168   82.887   37.136   73.900   14.153   78.986   19.049 -5.086555 23.73118 
1 1 1    6   -8   22 o  120.380   10.854  183.876   32.277  212.136   38.947  121.897   57.677  129.112   12.225   95.082   24.223 34.03021 27.13356 
1 1 1    6   -8   23 o  307.289   16.215  1204.71  123.985  1413.60  176.572  1001.53  174.135  330.319   21.524  275.713   25.583 54.60620 33.43309 
1 1 1    6   -8   24 o  117.397   10.832  175.055   31.398  208.154   38.338  107.637   54.715  127.841   12.156   89.351   24.009 38.48944 26.91056 
1 1 1    6   -8   25 o  284.034   13.049  1021.16   92.555  1178.91  113.610  709.864  159.598  304.544   14.939  229.663   28.436 74.88100 32.12150 
1 1 1    6   -8   26 o   91.497   12.865  108.002   28.583  136.339   33.597   33.741   54.388  102.878   13.395   62.162   24.255 40.71559 27.70783 
1 1 1    6   -8   27 o  195.682   11.451  485.652   55.711  653.457   68.279  151.424   96.362  226.888   12.095  104.419   33.009 122.4686 35.15471 
1 1 1    6   -8   28 o  120.024   18.418  190.268   53.441  190.268   53.441   0.0000   0.0000  120.024   18.418  ?   ?  0.000000 18.41820 
1 1 1    6   -8   29 o  192.569   11.180  471.981   53.529  626.009   66.375  185.434   90.532  221.540   12.043  112.987   31.103 108.5537 33.35355 
1 1 1    6   -8   30 o   74.712   14.957   74.455   26.932  129.339   32.977 -35.4672   46.669   99.509   13.629   40.916   19.003 58.59281 23.38523 
1 1 1    6   -8   31 o   38.648   15.146   12.428   21.279   17.507   25.275   0.0645   39.436   43.185   16.622   44.576   19.285 -1.391434 25.45952 
1 1 1    6   -8   32 o   80.370   19.188   90.487   37.976  138.079   61.655   61.391   48.207   96.585   25.271   67.496   23.415 29.08904 34.45160 
1 1 1    6   -8   33 o  131.686   12.236  226.916   39.776  295.923   49.205   96.788   67.569  149.929   13.280   80.227   27.728 69.70222 30.74414 
1 1 1    6   -8   34 o   88.620   15.213  107.347   32.454  129.392   39.716   63.042   56.303   96.456   17.115   67.572   25.070 28.88375 30.35537 
1 1 1    6   -8   35 f   59.164   18.326   49.600   29.863   58.441   35.952   29.928   53.630   63.595   20.168   56.490   23.354 7.104565 30.85768 
1 1 1    6   -8   36 o  154.283   22.810  360.845   85.232  360.845   85.232   0.0000   0.0000  154.283   22.810  ?   ?  0.000000 22.81003 
1 1 1    6   -8   37 o   89.148   20.971  122.409   45.905  122.409   45.905   0.0000   0.0000   89.148   20.971  ?   ?  0.000000 20.97108 
1 1 1    6   -8   38 o   87.478   17.872  114.145   37.722  171.561   48.614   27.265   59.800  106.730   18.933   54.481   23.658 52.24899 30.30153 
1 1 1    6   -7    0 o  261.385   10.124  854.862   66.082  875.424   93.561  834.393   93.346  263.857   14.252  257.540   14.574 6.317230 20.38489 
1 1 1    6   -7    1 o  148.686   11.801  278.489   43.457  309.268   61.649  248.088   61.269  156.195   16.033  139.394   18.023 16.80081 24.12244 
1 1 1    6   -7    2 o  451.212   20.990  2561.60  236.508  2739.38  334.816  2384.55  334.131  464.126   29.034  432.297   31.161 31.82944 42.59066 
1 1 1    6   -7    3 f  325.159   11.658  1323.04   94.659  1308.02  133.929  1338.03  133.808  322.509   16.687  326.226   16.479 -3.716949 23.45194 
1 1 1    6   -7    4 o  357.200   12.447  1596.89  111.022  1542.80  156.967  1651.04  157.052  350.188   18.011  362.802   17.335 -12.61411 24.99772 
1 1 1    6   -7    5 o  488.821   15.767  2994.36  192.460  2907.69  272.076  3081.17  272.282  480.762   22.663  494.999   22.027 -14.23697 31.60380 
1 1 1    6   -7    6 o  371.563   12.717  1727.78  117.992  1675.15  166.738  1780.56  166.994  364.952   18.354  376.786   17.748 -11.83401 25.53193 
1 1 1    6   -7    7 o  277.579   10.463  963.529   72.529  922.153  102.377  1005.22  102.767  270.900   15.195  282.941   14.594 -12.04153 21.06858 
1 1 1    6   -7    8 o  442.458   14.328  2451.51  158.314  2347.55  223.600  2556.00  224.180  432.289   20.713  451.178   19.898 -18.88947 28.72187 
1 1 1    6   -7    9 o  261.126   14.588  856.677   94.742  894.971  133.527  817.852  134.450  266.172   20.240  254.200   21.379 11.97235 29.44039 
1 1 1    6   -7   10 o  261.072   10.495  852.475   68.421  939.271   96.336  764.127   97.193  273.487   14.154  246.398   15.881 27.08932 21.27293 
1 1 1    6   -7   11 o  218.031   9.9275  594.526   54.052  701.795   75.794  483.515   77.104  236.403   12.888  195.734   15.913 40.66966 20.47679 
1 1 1    6   -7   12 o  734.483   22.402  6798.55  410.888  6415.72  580.187  7183.75  581.982  709.791   32.733  751.832   30.998 -42.04163 45.08162 
1 1 1    6   -7   13 o  551.778   17.200  3825.55  236.992  3717.16  334.400  3934.92  335.919  542.094   24.702  557.917   24.111 -15.82312 34.51883 
1 1 1    6   -7   14 o  380.151   17.426  1818.08  165.431   0.0000   0.0000  1818.08  165.431  ?   ?   380.151   17.426 0.000000 17.42647 
1 1 1    6   -7   15 o  222.650   19.550  630.523  107.597  630.523  107.597   0.0000   0.0000  222.650   19.550  ?   ?  0.000000 19.54992 
1 1 1    6   -7   16 o  176.777   9.3075  392.429   40.943  414.437   55.804  366.770   60.256  181.291   12.401  170.202   14.310 11.08850 18.93549 
1 1 1    6   -7   17 o  237.952   9.4309  709.516   56.039  667.418   77.023  756.866   81.685  229.970   13.471  244.957   13.405 -14.98705 19.00388 
1 1 1    6   -7   18 o   75.426   10.401   72.722   19.070   79.589   23.619   59.863   32.320   78.612   12.446   67.634   18.570 10.97807 22.35516 
1 1 1    6   -7   19 o  190.909   9.3585  457.186   44.615  446.810   60.154  469.874   66.515  187.908   12.898  192.511   13.930 -4.603119 18.98413 
1 1 1    6   -7   20 o  369.407   16.667  1731.48  153.749  1424.86  209.485  2089.48  226.362  330.687   25.567  402.539   22.610 -71.85165 34.13031 
1 1 1    6   -7   21 o  387.909   12.894  1898.27  124.897  1938.62  173.992  1855.37  179.395  390.177   17.857  381.286   18.841 8.890900 25.95913 
1 1 1    6   -7   22 o  222.726   11.780  626.742   65.287  740.515   79.918  398.478  113.199  241.778   13.288  172.731   27.138 69.04727 30.21660 
1 1 1    6   -7   23 o  223.157   11.555  629.135   64.173  742.850   78.557  401.040  111.259  242.163   13.039  173.364   26.545 68.79890 29.57406 
1 1 1    6   -7   24 o  113.752   10.788  164.330   30.277  203.624   36.721   80.891   53.510  126.551   11.754   78.791   24.552 47.76097 27.22023 
1 1 1    6   -7   25 o  152.827   13.507  297.818   51.018  441.667   73.807  166.200   70.599  185.629   16.081  110.527   26.012 75.10189 30.58117 
1 1 1    6   -7   26 o   82.967   12.928   89.073   25.912  111.383   30.733   34.218   48.190   92.814   13.669   60.212   23.005 32.60192 26.75997 
1 1 1    6   -7   27 o  206.559   11.344  540.163   58.291  671.174   71.859  288.073   99.679  229.974   12.560  144.811   28.579 85.16289 31.21761 
1 1 1    6   -7   28 o  261.526   12.230  866.101   79.870  1042.36   98.310  523.896  136.983  286.378   13.747  195.638   28.910 90.73988 32.01185 
1 1 1    6   -7   29 o  226.137   20.368  672.031  113.787  672.031  113.787   0.0000   0.0000  226.137   20.368  ?   ?  0.000000 20.36843 
1 1 1    6   -7   30 f  250.032   11.702  794.560   73.067  1101.84   90.659  225.009  123.427  294.146   12.342  121.712   37.184 172.4333 39.17854 
1 1 1    6   -7   31 o   47.587   15.937   28.034   22.294   48.141   26.975 -15.2980   39.600   59.915   17.155   41.024   18.453 18.89100 25.19515 
1 1 1    6   -7   32 o  100.095   12.424  130.566   30.386  172.603   37.604   51.471   51.581  114.938   13.350   65.161   24.031 49.77760 27.49059 
1 1 1    6   -7   33 o   52.671   16.794   36.703   24.902   49.151   31.247   15.039   41.223   60.105   18.767   49.364   20.447 10.74090 27.75422 
1 1 1    6   -7   34 o  110.859   12.843  162.117   34.895  202.651   43.782   91.533   57.776  123.236   14.505   78.362   25.632 44.87354 29.45164 
1 1 1    6   -7   35 o   68.977   17.115   67.067   29.341  116.774   36.982 -17.3679   48.199   91.719   16.764   43.829   19.969 47.89043 26.07291 
1 1 1    6   -7   36 o   76.933   26.680   93.112   62.583   0.0000   0.0000   93.112   62.583  ?   ?    76.933   26.680 0.000000 26.67996 
1 1 1    6   -7   37 o   79.953   24.070  101.747   51.997  101.747   51.997   0.0000   0.0000   79.953   24.070  ?   ?  0.000000 24.06978 
1 1 1    6   -7   38 o  115.635   14.637  185.281   41.319  258.304   52.355   64.689   67.281  135.745   15.737   65.904   26.564 69.84032 30.87550 
1 1 1    6   -6    0 o  121.257   8.0281  184.681   24.172  186.538   34.326  182.855   34.044  121.497   11.449  120.277   11.474 1.219833 16.20854 
1 1 1    6   -6    1 o   80.986   8.1680   82.849   16.293   89.141   23.220   76.745   22.868   83.601   11.421   77.327   12.251 6.273811 16.74886 
1 1 1    6   -6    2 o  167.481   8.4901  351.656   35.392  323.822   50.067  379.458   50.037  160.285   12.610  173.700   11.602 -13.41492 17.13580 
1 1 1    6   -6    3 o  395.735   18.977  1968.56  187.537  2080.30  265.433  1857.18  265.002  404.719   26.408  381.903   27.982 22.81638 38.47574 
1 1 1    6   -6    4 o  378.903   18.245  1802.67  172.629  1999.45  244.467  1606.97  243.803  397.367   24.759  355.418   27.688 41.94962 37.14360 
1 1 1    6   -6    5 o  400.253   13.404  2005.92  133.970  1959.03  189.443  2052.84  189.480  394.961   19.208  404.361   18.765 -9.399261 26.85240 
1 1 1    6   -6    6 o  325.253   11.697  1323.55   95.008  1311.92  134.346  1335.19  134.376  323.053   16.711  325.933   16.564 -2.880005 23.52907 
1 1 1    6   -6    7 o  116.452   8.1445  170.311   23.535  172.930   33.091  167.629   33.481  117.018   11.472  115.154   11.810 1.864738 16.46447 
1 1 1    6   -6    8 o  154.697   8.2754  299.942   31.852  303.174   44.837  296.649   45.258  155.242   11.651  153.528   11.898 1.714294 16.65224 
1 1 1    6   -6    9 o  356.260   12.344  1588.12  109.815  1526.42  155.043  1650.25  155.562  348.410   17.880  362.799   17.171 -14.38879 24.78985 
1 1 1    6   -6   10 o  415.606   19.531  2168.55  202.703  2059.88  286.008  2278.23  287.327  402.818   28.619  424.036   27.279 -21.21820 39.53741 
1 1 1    6   -6   11 o  480.412   20.967  2900.94  251.531  2444.31  354.162  3365.69  357.296  437.772   32.631  515.433   27.863 -77.66068 42.90830 
1 1 1    6   -6   12 o  652.636   20.148  5353.62  328.370  5788.78  464.528  4919.00  464.241  676.716   27.489  623.130   29.834 53.58630 40.56734 
1 1 1    6   -6   13 o  471.026   15.369  2782.17  180.781  2748.36  255.084  2816.28  256.246  467.128   21.867  472.896   21.699 -5.768097 30.80636 
1 1 1    6   -6   14 o  224.535   9.9670  630.812   55.885  697.522   77.588  558.888   80.564  235.551   13.244  210.482   15.435 25.06920 20.33851 
1 1 1    6   -6   15 o  233.396   10.195  681.906   59.421  740.591   82.702  619.282   85.433  242.599   13.707  221.511   15.543 21.08861 20.72396 
1 1 1    6   -6   16 o  394.107   15.294  1952.52  150.515  1796.51  258.657  2032.39  185.078  374.142   27.885  401.467   18.461 -27.32489 33.44199 
1 1 1    6   -6   17 o  246.897   14.345  769.023   88.062  842.640  124.554  695.442  124.523  257.393   19.523  233.188   21.630 24.20529 29.13824 
1 1 1    6   -6   18 f  219.342   9.7386  603.020   53.342  643.435   73.393  557.768   77.662  225.858   13.069  209.898   14.914 15.95972 19.82939 
1 1 1    6   -6   19 o  328.065   12.213  1353.23  100.054  1502.22  139.950  1197.46  143.097  344.731   16.257  306.610   18.780 38.12091 24.83900 
1 1 1    6   -6   20 o  277.397   11.167  967.126   77.354  1010.84  107.039  919.332  111.915  282.406   15.234  268.859   16.752 13.54700 22.64360 
1 1 1    6   -6   21 o  105.279   13.142  141.872   33.798  117.108   37.946  236.925   74.343   94.763   16.643  133.981   23.051 -39.21760 28.43142 
1 1 1    6   -6   22 o  216.015   11.823  589.352   63.534  572.915   72.854  641.553  129.830  212.531   13.802  221.692   23.826 -9.161041 27.53451 
1 1 1    6   -6   23 o  146.888   10.371  272.600   37.797  301.694   46.001  212.138   66.315  154.265   12.036  126.794   21.726 27.47092 24.83714 
1 1 1    6   -6   24 o  274.351   12.588  949.898   86.240  997.917  105.586  853.663  149.474  280.145   15.149  255.694   23.678 24.45117 28.10983 
1 1 1    6   -6   25 o   86.344   11.624   95.614   24.426  123.693   29.132   29.142   44.823   98.304   12.124   57.351   22.118 40.95347 25.22337 
1 1 1    6   -6   26 o  100.883   15.139  131.936   36.961  187.932   54.238   83.388   50.502  119.815   18.742   79.430   23.678 40.38503 30.19783 
1 1 1    6   -6   27 o  107.247   11.354  146.641   29.944  176.592   36.770   87.660   51.598  117.515   12.734   81.148   23.870 36.36706 27.05379 
1 1 1    6   -6   28 o  314.094   13.263  1250.25  104.032  1489.51  128.006  784.757  178.544  342.138   14.982  239.939   30.487 102.1988 33.96915 
1 1 1    6   -6   29 o  114.850   11.771  168.542   33.283  206.599   40.851   93.398   57.403  126.966   13.071   83.397   25.331 43.56866 28.50510 
1 1 1    6   -6   30 o  231.549   11.464  679.194   66.286  894.533   82.055  274.713  112.459  265.415   12.380  137.784   33.099 127.6308 35.33841 
1 1 1    6   -6   31 o  227.407   20.697  687.238  116.247  687.238  116.247   0.0000   0.0000  227.407   20.697  ?   ?  0.000000 20.69708 
1 1 1    6   -6   32 o  109.743   12.168  155.712   32.785  184.746   40.869  103.307   54.908  119.021   14.020   85.572   24.467 33.44823 28.19863 
1 1 1    6   -6   33 o   76.511   15.093   78.703   27.812  136.462   34.663 -25.6875   46.600  101.763   14.012   42.385   19.433 59.37861 23.95774 
1 1 1    6   -6   34 o   44.134   16.443   21.047   24.271   22.964   30.123   17.500   40.977   47.441   18.174   49.978   20.511 -2.536915 27.40442 
1 1 1    6   -6   35 o   24.448   12.093 -58.8668   27.268 -57.2020   50.781 -59.5414   32.323   38.735   18.531   27.828   13.647 10.90709 23.01398 
1 1 1    6   -6   36 o  117.437   16.691  189.604   47.570  189.604   47.570   0.0000   0.0000  117.437   16.691  ?   ?  0.000000 16.69066 
1 1 1    6   -6   37 o   45.181   17.528   21.290   28.276   20.292   34.338   23.392   49.837   47.173   18.990   53.569   22.360 -6.395485 29.33573 
1 1 1    6   -6   38 o   86.488   17.955  108.144   37.510  122.282   45.478   78.062   66.339   90.227   20.633   70.893   27.015 19.33384 33.99282 
1 1 1    6   -6   39 o  102.842   16.675  151.358   41.358  200.479   51.913   66.014   68.427  117.124   18.352   66.185   26.750 50.93883 32.43998 
1 1 1    6   -5    0 o  155.807   8.3135  304.568   32.229  325.596   45.756  283.862   45.404  160.777   11.472  149.966   12.231 10.81029 16.76872 
1 1 1    6   -5    1 o  217.261   9.2958  590.751   50.433  582.543   71.381  598.933   71.267  215.069   13.357  218.113   13.146 -3.044571 18.74083 
1 1 1    6   -5    2 o  529.547   16.943  3526.69  224.055  3554.58  316.926  3498.82  316.796  529.735   23.958  525.505   24.141 4.229187 34.01119 
1 1 1    6   -5    3 o  356.599   12.337  1593.22  109.858  1569.54  155.377  1616.90  155.348  353.308   17.611  358.636   17.346 -5.328644 24.71906 
1 1 1    6   -5    4 o  102.772   7.8232  132.803   19.927  142.298   28.344  123.524   28.019  106.080   10.853   98.658   11.594 7.421623 15.88100 
1 1 1    6   -5    5 o  537.502   24.331  3644.99  326.586  3868.71  462.178  3421.88  461.547  550.139   33.806  516.457   36.013 33.68207 49.39409 
1 1 1    6   -5    6 o  156.619   11.924  308.740   46.285  311.057   65.212  306.388   65.706  156.575   16.949  155.340   17.228 1.234741 24.16788 
1 1 1    6   -5    7 o  594.429   18.663  4434.69  277.028  4333.98  391.649  4535.54  391.904  586.048   26.762  599.659   26.171 -13.61072 37.43153 
1 1 1    6   -5    8 o  534.302   16.920  3578.89  225.749  3516.17  319.124  3641.71  319.392  528.490   24.181  537.915   23.777 -9.424622 33.91263 
1 1 1    6   -5    9 o  234.347   9.7432  686.610   57.018  716.526   80.496  656.486   80.775  238.870   13.550  228.540   14.224 10.32928 19.64534 
1 1 1    6   -5   10 o  283.023   10.697  1001.74   75.603  995.572  106.645  1007.97  107.195  281.514   15.227  283.268   15.210 -1.753571 21.52181 
1 1 1    6   -5   11 o  381.924   13.056  1825.70  124.521  1894.21  175.877  1756.83  176.321  388.589   18.125  373.677   18.958 14.91183 26.22764 
1 1 1    6   -5   12 o  242.120   14.342  736.765   86.327  812.210  121.075  658.748  123.121  253.625   19.260  227.847   21.909 25.77844 29.17146 
1 1 1    6   -5   13 o  858.323   35.734  9389.51  765.930   0.0000   0.0000  9389.51  765.930  ?   ?   858.323   35.734 0.000000 35.73447 
1 1 1    6   -5   14 o  180.784   12.857  411.354   57.664  411.354   57.664   0.0000   0.0000  180.784   12.857  ?   ?  0.000000 12.85684 
1 1 1    6   -5   15 o  676.598   20.982  5769.04  354.504  5826.54  500.896  5711.34  501.795  676.865   29.634  669.993   29.992 6.872681 42.16295 
1 1 1    6   -5   16 o  507.325   16.287  3234.76  206.342  3115.33  290.910  3355.68  292.722  496.127   23.481  515.120   22.756 -18.99341 32.69851 
1 1 1    6   -5   17 o  378.329   12.710  1795.60  120.077  1810.40  168.732  1780.42  170.919  379.022   17.827  375.795   18.213 3.227631 25.48595 
1 1 1    6   -5   18 o  245.020   14.290  757.397   87.053  785.155  123.077  729.607  123.146  248.277   20.022  239.077   20.835 9.199997 28.89576 
1 1 1    6   -5   19 o  283.481   11.137  1008.47   78.841  1033.57  109.744  981.698  113.340  285.922   15.427  278.413   16.374 7.508209 22.49707 
1 1 1    6   -5   20 o  251.909   9.7388  795.880   61.263  787.922   84.198  804.832   89.305  249.768   13.550  252.294   14.233 -2.525986 19.65152 
1 1 1    6   -5   21 o  196.286   10.105  484.921   49.365  544.845   66.928  413.428   73.104  207.575   12.977  179.962   16.449 27.61284 20.95154 
1 1 1    6   -5   22 o  127.556   9.3987  205.276   29.727  209.755   38.136  198.340   47.456  128.532   12.021  124.228   15.645 4.303543 19.72968 
1 1 1    6   -5   23 o   48.188   15.810   28.280   21.974   28.280   21.974   0.0000   0.0000   48.188   15.810  ?   ?  0.000000 15.80991 
1 1 1    6   -5   24 o  219.254   11.260  606.666   61.443  701.782   75.336  417.705  106.185  235.490   12.860  178.025   24.537 57.46527 27.70286 
1 1 1    6   -5   25 f  115.550   10.481  169.282   29.914  184.628   36.049  135.353   53.602  120.414   12.155  100.675   21.941 19.73907 25.08272 
1 1 1    6   -5   26 o  210.060   11.575  557.721   60.482  653.651   74.060  365.625  104.802  227.082   13.116  165.466   26.239 61.61571 29.33462 
1 1 1    6   -5   27 o  125.116   10.739  198.522   33.226  251.729   40.765   93.213   57.350  140.813   11.699   83.874   25.285 56.93922 27.86004 
1 1 1    6   -5   28 o  189.922   13.668  459.204   64.389  517.277   93.654  407.150   88.668  199.917   18.988  176.640   20.482 23.27695 27.92901 
1 1 1    6   -5   29 o   49.335   15.362   30.867   20.954   49.934   25.436  -9.4022   36.965   61.459   16.305   41.442   18.281 20.01740 24.49592 
1 1 1    6   -5   30 o  145.624   11.071  269.402   39.958  356.155   49.624  109.451   67.382  167.332   11.955   89.801   27.480 77.53172 29.96811 
1 1 1    6   -5   31 o  171.128   10.859  371.985   46.163  468.386   57.336  194.334   77.834  191.748   12.035  117.888   27.017 73.85979 29.57680 
1 1 1    6   -5   32 f  140.635   18.728  262.668   64.134  262.668   64.134   0.0000   0.0000  140.635   18.728  ?   ?  0.000000 18.72753 
1 1 1    6   -5   33 o   84.048   13.832   93.158   28.020  127.989   34.978   30.769   46.813   98.539   14.661   57.278   22.460 41.26092 26.82157 
1 1 1    6   -5   34 o  136.010   11.562  238.772   38.898  369.165   48.982   16.144   64.003  169.270   11.659   58.767   24.978 110.5034 27.56497 
1 1 1    6   -5   35 f   68.451   16.965   64.832   28.852   92.832   36.969   21.208   46.145   81.494   18.579   53.086   21.774 28.40855 28.62330 
1 1 1    6   -5   36 o   62.252   25.086   40.665   59.987   40.665   59.987   0.0000   0.0000   62.252   25.086  ?   ?  0.000000 25.08598 
1 1 1    6   -5   37 o   51.744   17.809   35.034   27.860   46.794   35.700   16.717   44.553   58.647   20.161   50.344   21.088 8.303402 29.17520 
1 1 1    6   -5   38 o   43.727   17.636   16.321   29.677   51.180   37.237 -44.3671   49.132   60.266   20.594   39.225   18.613 21.04100 27.75894 
1 1 1    6   -5   39 o   54.917   19.525   41.379   33.662   66.889   41.677  -6.4941   57.094   66.469   21.772   48.537   21.964 17.93213 30.92590 
1 1 1    6   -5   40 o   73.104   26.252   91.058   60.995   91.058   60.995   0.0000   0.0000   73.104   26.252  ?   ?  0.000000 26.25199 
1 1 1    6   -4    0 o   43.955   10.029   25.164   10.765   25.788   15.372   24.564   15.079   44.873   12.980   43.895   12.901 0.9786072 18.30110 
1 1 1    6   -4    1 o  327.003   11.657  1340.56   95.191  1319.27  134.634  1361.84  134.608  323.280   16.735  328.939   16.387 -5.659241 23.42198 
1 1 1    6   -4    2 o  420.510   13.990  2220.32  146.911  2200.73  207.780  2239.90  207.748  417.448   19.932  421.189   19.752 -3.740997 28.06108 
1 1 1    6   -4    3 o   78.437   8.0844   77.765   15.608   76.345   22.171   79.160   21.976   77.161   11.888   78.659   11.530 -1.498230 16.56121 
1 1 1    6   -4    4 o  338.457   11.940  1435.20  100.915  1428.66  142.761  1441.73  142.670  336.668   17.036  338.651   16.871 -1.983032 23.97596 
1 1 1    6   -4    5 o  300.549   10.985  1130.69   82.443  1164.85  116.679  1096.63  116.504  304.301   15.405  295.166   15.864 9.134949 22.11290 
1 1 1    6   -4    6 o  536.213   16.787  3608.20  224.777  3527.41  317.832  3689.05  317.932  528.770   24.070  540.871   23.539 -12.10107 33.66699 
1 1 1    6   -4    7 o  393.574   18.933  1945.25  186.075  2002.88  263.132  1887.61  263.167  397.377   26.671  385.527   27.516 11.84924 38.32101 
1 1 1    6   -4    8 o  325.202   16.618  1329.29  134.499  1355.36  190.059  1303.14  190.363  327.329   23.406  320.834   23.933 6.495636 33.47541 
1 1 1    6   -4    9 o  192.563   8.7920  463.487   42.278  430.121   59.580  497.327   60.002  184.933   12.984  199.004   12.132 -14.07127 17.76957 
1 1 1    6   -4   10 o  227.098   9.5928  644.753   54.401  708.443   76.786  580.568   77.084  237.573   12.992  214.844   14.452 22.72845 19.43335 
1 1 1    6   -4   11 o  222.347   9.5916  618.062   53.257  663.919   75.057  571.566   75.578  229.950   13.125  213.182   14.280 16.76727 19.39538 
1 1 1    6   -4   12 o  673.602   23.923  5711.09  402.415  5577.45  696.802  5777.97  492.926  658.714   42.589  676.213   29.191 -17.49902 51.63232 
1 1 1    6   -4   13 o  1180.20   41.591 17839.54  1225.77 17327.11  1500.43 18867.81  2125.46  1154.96   52.023  1182.34   72.336 -27.37732 89.10053 
1 1 1    6   -4   14 o  183.074   14.575  422.555   66.079  618.003   91.436  208.894   95.602  221.360   16.664  125.918   30.685 95.44189 34.91741 
1 1 1    6   -4   15 o  540.916   17.381  3673.46  234.770  3796.29  331.638  3550.07  332.394  548.468   24.214  530.173   25.106 18.29559 34.88037 
1 1 1    6   -4   16 o  300.969   11.069  1133.97   83.193  1069.96  116.510  1200.55  118.828  291.493   16.068  309.302   15.385 -17.80884 22.24565 
1 1 1    6   -4   17 f  237.095   10.122  703.693   59.930  758.554   83.401  645.122   86.175  245.530   13.656  226.124   15.352 19.40607 20.54716 
1 1 1    6   -4   18 o  320.381   11.474  1286.63   91.797  1225.02  128.357  1351.14  131.335  311.528   16.559  327.701   16.049 -16.17300 23.06025 
1 1 1    6   -4   19 o  187.087   8.7678  438.214   40.963  439.834   55.463  436.270   60.758  186.840   11.950  185.898   13.173 0.9426117 17.78594 
1 1 1    6   -4   20 o   89.454   13.334  102.810   28.875  112.372   40.612   93.033   41.063   92.679   18.197   83.983   19.887 8.696213 26.95611 
1 1 1    6   -4   21 o  351.029   12.561  1550.13  110.107  1593.53  153.877  1504.58  157.620  354.700   17.372  343.888   18.421 10.81143 25.32097 
1 1 1    6   -4   22 o  171.126   9.1895  368.326   39.126  359.783   51.979  379.497   59.433  168.611   12.433  172.915   13.881 -4.304092 18.63478 
1 1 1    6   -4   23 o  238.560   11.570  716.031   68.925  859.082   84.544  432.514  119.022  261.051   12.969  180.570   27.243 80.48096 30.17225 
1 1 1    6   -4   24 o   49.479   13.500   31.898   17.144   42.492   19.812   0.3243   34.203   56.886   14.034   42.697   18.206 14.18892 22.98720 
1 1 1    6   -4   25 o  133.723   12.653  227.490   41.751  227.490   41.751   0.0000   0.0000  133.723   12.653  ?   ?  0.000000 12.65342 
1 1 1    6   -4   26 o  332.529   14.083  1398.71  116.942  1542.96  143.316  1111.32  202.292  348.427   16.471  289.603   28.335 58.82455 32.77483 
1 1 1    6   -4   27 o  202.632   11.308  518.756   56.990  583.537   69.879  390.091   98.481  214.530   13.107  172.094   23.532 42.43510 26.93640 
1 1 1    6   -4   28 o  245.220   11.936  758.622   73.090  852.898   89.809  573.703  125.780  259.172   13.928  208.539   24.629 50.63322 28.29399 
1 1 1    6   -4   29 o  108.101   14.456  150.776   38.046  264.494   59.343   71.414   49.575  143.020   16.945   74.402   23.692 68.61771 29.12871 
1 1 1    6   -4   30 o  222.155   11.256  624.479   62.239  776.002   77.001  338.917  105.708  247.335   12.508  157.665   27.868 89.66978 30.54602 
1 1 1    6   -4   31 o  221.149   11.562  620.329   63.630  733.561   78.634  405.542  108.300  239.995   13.171  173.088   25.848 66.90726 29.01020 
1 1 1    6   -4   32 o   57.869   15.869   44.432   23.619   50.383   29.003   32.716   40.697   61.644   17.828   56.452   21.241 5.191814 27.73140 
1 1 1    6   -4   33 o   66.954   15.879   60.193   26.148   78.751   32.237   24.508   44.703   76.389   17.301   54.798   21.801 21.59056 27.83183 
1 1 1    6   -4   34 o   67.002   16.783   60.980   28.020  128.510   34.658 -66.4648   47.611   98.745   14.486   36.468   17.574 62.27670 22.77483 
1 1 1    6   -4   35 o   76.155   23.324   82.236   48.530   0.0000   0.0000   82.236   48.530  ?   ?    76.155   23.324 0.000000 23.32436 
1 1 1    6   -4   36 f   86.011   14.837   99.660   30.716  153.262   38.867   10.494   50.129  107.035   14.949   51.623   22.027 55.41242 26.62097 
1 1 1    6   -4   37 o  127.312   12.289  212.586   38.585  355.054   49.417  -9.9355   61.759  164.914   12.084   51.294   23.061 113.6199 26.03481 
1 1 1    6   -4   38 o  105.207   18.135  155.388   45.925  249.059   74.540   98.076   58.306  128.900   24.042   79.686   25.728 49.21369 35.21263 
1 1 1    6   -4   39 o   94.027   16.512  123.669   37.357  174.897   47.113   36.917   61.310  111.490   17.498   60.018   24.905 51.47247 30.43717 
1 1 1    6   -4   40 o   61.071   20.287   54.814   36.141   73.688   45.418   22.233   59.673   68.994   22.734   55.146   23.790 13.84840 32.90576 
1 1 1    6   -3    0 o   69.787   8.3517   61.805   14.266   60.873   20.239   62.726   20.111   68.647   12.256   69.755   11.977 -1.107689 17.13621 
1 1 1    6   -3    1 o  365.142   12.628  1672.88  115.144  1670.94  162.841  1674.81  162.834  364.036   17.913  364.461   17.891 -0.4258118 25.31755 
1 1 1    6   -3    2 o  129.978   8.0044  212.149   25.854  210.898   36.651  213.387   36.476  129.202   11.479  129.985   11.351 -0.7830963 16.14399 
1 1 1    6   -3    3 o   83.657   7.9206   88.324   16.350   86.722   23.216   89.901   23.029   82.376   11.608   83.955   11.269 -1.578224 16.17806 
1 1 1    6   -3    4 o  744.385   23.110  7020.79  429.576  7091.90  607.607  6949.71  607.417  742.707   32.761  735.008   33.094 7.699280 46.56672 
1 1 1    6   -3    5 o  245.810   9.8235  756.225   60.300  775.012   85.354  737.506   85.200  248.176   13.827  242.032   14.158 6.144119 19.79026 
1 1 1    6   -3    6 o  280.413   10.576  984.113   74.061  998.521  104.801  969.741  104.674  281.734   14.950  277.604   15.157 4.130463 21.28903 
1 1 1    6   -3    7 o  293.271   10.803  1076.15   79.118  1067.95  111.956  1084.32  111.824  291.430   15.439  293.679   15.301 -2.248993 21.73647 
1 1 1    6   -3    8 o  475.331   15.480  2831.89  183.743  2772.62  259.777  2891.23  259.927  469.390   22.162  479.400   21.712 -10.00986 31.02562 
1 1 1    6   -3    9 o  442.403   20.695  2459.09  228.626  2585.35  323.427  2332.98  323.224  451.411   28.842  428.332   30.416 23.07983 41.91680 
1 1 1    6   -3   10 o  577.795   25.920  4207.13  373.984  4394.58  529.092  4019.97  528.694  586.883   36.280  560.635   37.988 26.24805 52.52893 
1 1 1    6   -3   11 o  357.854   12.420  1602.28  110.990  1562.44  156.742  1642.35  157.186  352.537   17.863  361.939   17.391 -9.401611 24.93060 
1 1 1    6   -3   12 f  113.661   9.5348  162.637   26.813  172.768   46.662  157.643   32.761  116.265   16.538  111.623   11.938 4.641472 20.39688 
1 1 1    6   -3   13 o  238.635   11.264  712.294   67.122  740.348   81.664  653.876  117.844  242.819   13.521  227.189   21.009 15.63008 24.98449 
1 1 1    6   -3   14 o  387.887   13.153  1883.43  127.400  1811.10  179.527  1956.81  180.820  379.844   18.927  394.892   18.337 -15.04861 26.35242 
1 1 1    6   -3   15 o  549.772   17.434  3792.61  239.353  4013.23  338.258  3571.36  338.734  564.289   24.005  531.999   25.497 32.28906 35.01926 
1 1 1    6   -3   16 o  279.728   14.890  983.774  103.638  935.937  144.058  1035.09  149.210  271.811   21.397  285.995   21.040 -14.18372 30.00843 
1 1 1    6   -3   17 o  387.653   13.149  1883.41  127.290  1923.25  179.193  1842.83  180.849  391.034   18.351  382.683   18.925 8.350769 26.36081 
1 1 1    6   -3   18 o  181.409   8.8828  411.740   40.240  396.798   54.850  429.155   59.216  177.482   12.455  184.550   12.931 -7.067581 17.95345 
1 1 1    6   -3   19 o  338.496   12.237  1437.19  103.440  1549.30  145.260  1321.85  147.335  350.782   16.583  323.211   18.330 27.57187 24.71788 
1 1 1    6   -3   20 o  262.588   10.467  864.361   68.635  891.710   95.212  834.775   99.030  265.860   14.395  256.992   15.504 8.867981 21.15605 
1 1 1    6   -3   21 o  436.192   20.767  2419.21  226.208  2473.77  320.129  2364.80  319.684  436.182   29.565  426.037   30.245 10.14517 42.29486 
1 1 1    6   -3   22 o  140.932   8.4356  249.731   29.551  262.289   38.354  231.384   46.358  144.142   10.732  134.791   13.976 9.351837 17.62107 
1 1 1    6   -3   23 o  444.173   17.180  2502.24  190.556  2623.01  233.446  2261.10  329.873  453.213   20.627  413.179   32.226 40.03354 38.26194 
1 1 1    6   -3   24 o  250.988   11.794  792.806   73.921  878.366   90.523  621.563  128.065  263.451   13.808  218.420   23.868 45.03090 27.57413 
1 1 1    6   -3   25 o   77.181   11.059   76.415   20.706   72.634   24.717   85.312   37.914   74.702   13.757   80.209   19.187 -5.507828 23.60907 
1 1 1    6   -3   26 o  363.967   26.431  1734.64  238.586  1734.64  238.586   0.0000   0.0000  363.967   26.431  ?   ?  0.000000 26.43050 
1 1 1    6   -3   27 o  116.637   10.558  172.467   30.417  184.020   37.183  149.096   52.885  120.145   12.580  106.099   20.704 14.04667 24.22596 
1 1 1    6   -3   28 o  294.054   12.903  1091.96   94.744  1161.66  116.298  954.441  163.371  302.173   15.464  270.005   24.497 32.16830 28.96925 
1 1 1    6   -3   29 o  392.421   15.272  1955.45  149.659  2216.39  183.872  1443.27  257.605  416.605   17.674  326.821   31.974 89.78384 36.53344 
1 1 1    6   -3   30 o   82.080   12.843   87.167   25.462  117.496   31.551   30.537   43.114   95.394   13.633   57.066   21.770 38.32741 25.68661 
1 1 1    6   -3   31 o  149.874   13.773  287.398   50.970  354.588   76.705  234.272   68.206  164.959   18.966  132.909   21.267 32.05029 28.49555 
1 1 1    6   -3   32 o   98.843   12.176  125.606   29.419  177.090   36.871   35.403   48.805  117.461   12.776   60.472   23.141 56.98889 26.43337 
1 1 1    6   -3   33 o   61.949   15.666   51.232   24.251   44.662   30.321   62.894   40.399   58.732   18.511   68.865   21.312 -10.13246 28.22885 
1 1 1    6   -3   34 o   62.843   16.044   53.111   25.266   41.050   31.850   73.585   41.497   56.983   19.049   73.373   21.356 -16.38996 28.61693 
1 1 1    6   -3   35 o  104.475   21.475  151.942   54.156  151.942   54.156   0.0000   0.0000  104.475   21.475  ?   ?  0.000000 21.47549 
1 1 1    6   -3   36 o   42.242   16.148   17.426   23.750   36.299   30.044 -14.0220   38.781   53.634   18.492   40.434   18.217 13.19963 25.95802 
1 1 1    6   -3   37 o  179.354   11.436  416.353   50.953  585.106   64.427  134.542   83.257  212.221   12.209   92.205   30.798 120.0167 33.12967 
1 1 1    6   -3   38 o   35.365   15.416  -1.6793   25.592   14.407   32.936 -26.1912   40.657   45.005   18.420   38.439   17.812 6.565243 25.62387 
1 1 1    6   -3   39 o   98.739   18.931  138.783   44.979  233.808   75.197   85.844   56.127  123.569   25.223   75.175   25.286 48.39404 35.71507 
1 1 1    6   -3   40 f   46.662   18.703   20.608   33.147   27.360   41.798   9.1669   54.411   51.981   20.943   51.308   22.419 0.6724205 30.67907 
1 1 1    6   -3   41 o   85.349   18.959  107.802   39.358  185.405   51.200  -4.2929   61.535  112.732   18.853   50.188   22.748 62.54453 29.54514 
1 1 1    6   -2    0 o  609.069   27.368  4732.26  416.248  5008.51  589.099  4456.83  588.230  619.318   38.279  582.432   40.700 36.88556 55.87237 
1 1 1    6   -2    1 o  496.922   22.956  3131.31  284.857  3159.46  402.885  3103.18  402.811  494.216   32.832  489.614   33.141 4.601349 46.64997 
1 1 1    6   -2    2 o  337.000   17.005  1434.01  142.642  1383.55  201.588  1484.61  201.864  328.963   24.720  341.098   23.849 -12.13525 34.34925 
1 1 1    6   -2    3 o  234.097   9.6009  686.175   56.125  687.825   79.422  684.529   79.323  233.648   13.672  233.083   13.688 0.5649719 19.34655 
1 1 1    6   -2    4 o  609.010   19.060  4681.00  289.860  4766.81  410.070  4595.31  409.777  611.352   26.861  600.023   27.348 11.32928 38.33302 
1 1 1    6   -2    5 o  298.548   11.015  1116.64   82.118  1106.60  116.159  1126.68  116.107  296.269   15.757  298.980   15.605 -2.710907 22.17693 
1 1 1    6   -2    6 f  256.733   10.039  825.020   64.362  839.614   91.102  810.477   90.941  258.292   14.179  253.724   14.413 4.568466 20.21775 
1 1 1    6   -2    7 o  561.334   17.754  3960.35  248.868  3974.00  351.993  3946.70  351.912  560.445   25.151  558.492   25.233 1.953003 35.62661 
1 1 1    6   -2    8 o  271.308   10.338  920.806   70.038  891.248   99.046  950.367   99.051  266.227   14.959  275.002   14.475 -8.774750 20.81537 
1 1 1    6   -2    9 f  786.833   24.133  7800.72  474.181  7627.29  670.398  7974.34  670.788  774.318   34.671  792.054   33.914 -17.73621 48.49969 
1 1 1    6   -2   10 o  332.712   11.754  1384.90   97.659  1331.48  138.012  1438.46  138.209  325.437   17.042  338.773   16.337 -13.33575 23.60767 
1 1 1    6   -2   11 o  676.006   43.227  5873.04  725.906   0.0000   0.0000  5873.04  725.906  ?   ?   676.006   43.227 0.000000 43.22734 
1 1 1    6   -2   12 o  215.943   13.366  585.849   71.724  585.849   71.724   0.0000   0.0000  215.943   13.366  ?   ?  0.000000 13.36644 
1 1 1    6   -2   13 o  240.324   9.9833  722.100   59.913  780.200   84.366  662.989   85.098  249.293   13.604  229.607   14.923 19.68633 20.19267 
1 1 1    6   -2   14 o  186.355   9.0379  434.109   42.059  463.247   58.687  403.342   60.306  192.022   12.304  178.988   13.594 13.03415 18.33497 
1 1 1    6   -2   15 f  578.828   18.217  4204.14  263.320  4363.64  372.171  4044.26  372.611  588.346   25.331  566.184   26.354 22.16205 36.55429 
1 1 1    6   -2   16 o  658.031   20.574  5444.54  338.073  5614.05  477.907  5274.75  478.308  665.986   28.736  645.254   29.684 20.73236 41.31487 
1 1 1    6   -2   17 f  634.209   28.520  5100.49  451.690  5248.55  637.690  4951.40  639.887  637.356   40.273  618.240   41.691 19.11572 57.96593 
1 1 1    6   -2   18 o  395.102   13.311  1956.94  131.336  2005.15  184.950  1907.91  186.534  399.187   18.554  389.283   19.189 9.904205 26.69150 
1 1 1    6   -2   19 o  381.755   13.216  1828.18  125.988  1820.25  177.218  1836.28  179.144  380.046   18.673  381.693   18.795 -1.646759 26.49410 
1 1 1    6   -2   20 o  274.132   11.017  941.916   75.417  1044.94  105.258  833.227  108.110  287.939   14.688  256.611   16.967 31.32825 22.44086 
1 1 1    6   -2   21 o  145.643   8.7693  266.571   31.745  240.133   41.960  301.959   48.545  137.745   12.329  154.532   12.692 -16.78699 17.69435 
1 1 1    6   -2   22 o  248.507   10.419  774.749   64.659  853.705   89.206  687.349   93.855  260.046   13.786  232.736   16.251 27.30957 21.31093 
1 1 1    6   -2   23 o   27.844   12.373  -6.3866   17.239   8.1561   24.708 -20.1825   24.065   39.531   16.040   29.646   13.726 9.884615 21.11117 
1 1 1    6   -2   24 o  174.265   10.364  382.694   44.897  357.681   54.589  434.987   78.931  167.980   13.117  184.388   17.346 -16.40768 21.74741 
1 1 1    6   -2   25 o   87.168   10.795   96.933   22.995  101.558   27.802   86.917   40.913   88.867   12.905   80.932   20.284 7.934616 24.04122 
1 1 1    6   -2   26 o  339.460   14.202  1456.24  120.390  1488.23  147.365  1392.05  208.755  341.756   17.324  326.527   25.812 15.22974 31.08672 
1 1 1    6   -2   27 o   60.963   14.734   48.891   22.182   48.891   22.182   0.0000   0.0000   60.963   14.734  ?   ?  0.000000 14.73437 
1 1 1    6   -2   28 o  326.292   24.478  1387.89  197.998  1387.89  197.998   0.0000   0.0000  326.292   24.478  ?   ?  0.000000 24.47828 
1 1 1    6   -2   29 o  233.134   11.816  686.826   68.563  735.584   84.202  590.881  118.115  240.699   14.070  212.792   22.573 27.90656 26.59859 
1 1 1    6   -2   30 o  120.342   10.593  183.676   31.508  229.279   39.180  100.202   53.008  134.328   11.800   86.424   23.804 47.90415 26.56800 
1 1 1    6   -2   31 o  131.644   10.823  219.830   35.265  254.522   43.747  155.447   59.596  141.362   12.522  107.484   22.904 33.87759 26.10360 
1 1 1    6   -2   32 o  295.585   14.339  1111.16  105.837  1633.63  154.621  650.557  145.178  356.897   17.349  219.820   27.016 137.0773 32.10698 
1 1 1    6   -2   33 o   51.056   16.000   33.244   22.690   52.353   28.625   0.9454   37.215   62.796   17.566   44.294   18.942 18.50200 25.83295 
1 1 1    6   -2   34 o  137.278   13.473  242.954   45.593  403.721   65.768   94.210   63.261  176.663   15.052   83.205   26.792 93.45734 30.73067 
1 1 1    6   -2   35 o   88.213   17.379  104.852   36.922  104.852   36.922   0.0000   0.0000   88.213   17.379  ?   ?  0.000000 17.37917 
1 1 1    6   -2   36 o   96.501   21.416  130.486   50.260  130.486   50.260   0.0000   0.0000   96.501   21.416  ?   ?  0.000000 21.41584 
1 1 1    6   -2   37 o  167.526   11.574  362.510   48.124  484.190   60.635  155.415   79.105  193.117   12.643  100.252   29.574 92.86512 32.16299 
1 1 1    6   -2   38 o  104.230   13.468  143.945   34.236  186.818   44.068   78.678   54.373  118.014   15.314   73.923   24.888 44.09152 29.22218 
1 1 1    6   -2   39 o   55.899   18.285   42.341   29.400   49.224   38.514   32.729   45.511   60.372   20.930   55.830   22.064 4.542500 30.41245 
1 1 1    6   -2   40 f   81.076   18.263   93.903   36.088  118.910   47.284   59.012   55.852   89.578   21.426   65.820   24.858 23.75809 32.81739 
1 1 1    6   -2   41 o   44.605   18.532   13.996   34.009   7.0513   43.705   24.656   54.150   46.668   20.245   54.759   23.109 -8.091312 30.72289 
1 1 1    6   -1    0 o   39.041   9.6410   19.837   9.3434   18.488   13.239   21.175   13.188   38.718   12.235   40.824   12.084 -2.105598 17.19631 
1 1 1    6   -1    1 o  302.684   11.035  1147.84   83.408  1155.17  117.985  1140.52  117.929  302.731   15.661  300.783   15.755 1.947632 22.21461 
1 1 1    6   -1    2 o  333.422   13.634  1395.57  113.516  1283.36  196.216  1452.02  139.170  316.799   25.006  339.689   16.406 -22.88962 29.90772 
1 1 1    6   -1    3 o  136.744   11.338  235.969   38.368  261.728   54.272  210.233   54.249  143.467   15.389  128.033   17.420 15.43362 23.24384 
1 1 1    6   -1    4 o  136.209   11.329  234.144   38.184  236.362   54.038  231.932   53.962  136.103   16.219  134.777   16.369 1.326279 23.04359 
1 1 1    6   -1    5 o  265.701   14.613  889.680   96.586  875.721  136.573  903.647  136.615  262.310   21.026  266.565   20.685 -4.255066 29.49544 
1 1 1    6   -1    6 f  689.439   21.516  6010.69  370.424  6074.54  523.963  5946.89  523.755  688.741   30.465  681.286   30.786 7.455383 43.31100 
1 1 1    6   -1    7 o   90.185   7.7216  102.442   17.222  107.094   24.499   97.898   24.215   91.842   10.895   87.691   11.322 4.151291 15.71261 
1 1 1    6   -1    8 o  403.703   13.535  2042.49  136.454  2044.38  193.006  2040.61  192.944  403.137   19.172  402.764   19.184 0.3735352 27.12150 
1 1 1    6   -1    9 o  595.829   18.665  4459.18  277.715  4445.84  392.781  4472.52  392.716  593.143   26.518  594.942   26.433 -1.799377 37.44234 
1 1 1    6   -1   10 o  303.652   11.099  1153.41   84.162  1102.80  118.961  1204.11  119.086  296.174   16.145  309.989   15.384 -13.81570 22.30104 
1 1 1    6   -1   11 o  552.968   17.402  3834.05  240.294  3657.24  339.591  4011.35  340.065  538.813   25.239  564.511   24.123 -25.69830 34.91315 
1 1 1    6   -1   12 f  433.048   14.324  2347.93  154.895  2453.02  219.041  2242.81  219.067  442.077   19.842  422.606   20.758 19.47083 28.71576 
1 1 1    6   -1   13 o  648.418   28.788  5307.15  466.136  5396.14  659.221  5218.16  659.210  649.073   40.880  637.949   41.607 11.12421 58.32972 
1 1 1    6   -1   14 o  267.638   10.441  895.680   69.781  901.896   98.245  889.351   99.131  267.968   14.738  266.066   14.981 1.902161 21.01549 
1 1 1    6   -1   15 o  267.233   9.9385  892.908   66.323  819.702   93.035  968.554   94.573  255.420   14.647  278.153   13.615 -22.73332 19.99808 
1 1 1    6   -1   16 o  788.340   24.279  7829.57  477.971  7892.87  675.690  7766.17  676.216  788.013   34.337  781.537   34.649 6.476135 48.78070 
1 1 1    6   -1   17 o  204.631   9.2822  523.605   47.432  549.496   65.981  495.914   68.235  209.113   12.695  198.488   13.853 10.62500 18.79060 
1 1 1    6   -1   18 o  260.566   10.250  849.508   66.694  829.541   93.154  870.508   95.531  256.800   14.586  263.082   14.599 -6.282654 20.63697 
1 1 1    6   -1   19 o  255.615   13.914  821.953   88.480  746.341  121.247  908.090  129.410  242.504   20.206  267.793   19.485 -25.28891 28.07032 
1 1 1    6   -1   20 o   95.562   8.5261  115.158   20.132   81.522   25.436  171.573   32.941   79.553   13.271  116.450   11.477 -36.89648 17.54560 
1 1 1    6   -1   21 o  333.028   12.031  1391.47  100.057  1422.32  140.110  1359.36  142.936  335.952   16.701  327.827   17.524 8.125092 24.20733 
1 1 1    6   -1   22 o  197.554   9.6110  489.066   47.414  503.777   64.604  471.893   69.803  199.786   13.020  193.064   14.586 6.721558 19.55221 
1 1 1    6   -1   23 o  198.912   10.578  497.904   52.353  481.499   63.773  531.808   91.679  195.178   13.161  204.085   18.179 -8.907242 22.44358 
1 1 1    6   -1   24 o  306.322   15.956  1189.72  121.635  1356.61  172.725  1025.53  171.318  325.240   21.386  281.345   24.633 43.89548 32.62101 
1 1 1    6   -1   25 f  255.952   11.837  824.177   75.657  872.479   92.633  727.404  131.117  262.545   14.182  237.197   22.401 25.34882 26.51290 
1 1 1    6   -1   26 o  388.511   15.440  1910.37  149.797  2041.21  183.656  1650.31  258.915  400.478   18.364  353.750   29.581 46.72842 34.81790 
1 1 1    6   -1   27 o   69.960   12.034   63.347   20.266   61.847   24.070   67.001   37.565   68.689   14.488   71.412   20.174 -2.723541 24.83789 
1 1 1    6   -1   28 o  170.394   10.281  366.198   43.542  344.339   53.268  410.212   75.588  164.697   13.059  178.859   17.133 -14.16281 21.54241 
1 1 1    6   -1   29 o  306.500   23.482  1221.22  178.357  1221.22  178.357   0.0000   0.0000  306.500   23.482  ?   ?  0.000000 23.48152 
1 1 1    6   -1   30 o   45.220   14.871   24.851   19.436   35.706   23.749   2.8359   33.823   52.989   16.331   43.196   18.248 9.792316 24.48890 
1 1 1    6   -1   31 o  242.612   11.509  742.096   69.728  893.977   86.190  454.391  118.625  265.936   12.979  184.475   26.512 81.46062 29.51873 
1 1 1    6   -1   32 o  270.866   12.592  927.917   85.170  891.236  104.604  1000.07  146.704  263.995   15.942  277.170   21.360 -13.17511 26.65343 
1 1 1    6   -1   33 o   49.565   15.997   30.660   22.544   6.9271   28.361   71.392   37.155   41.117   16.990   73.050   19.850 -31.93362 26.12807 
1 1 1    6   -1   34 o   76.539   21.919   79.188   44.033   0.0000   0.0000   79.188   44.033  ?   ?    76.539   21.919 0.000000 21.91870 
1 1 1    6   -1   35 o   84.040   13.960   92.741   28.270  147.042   35.732   1.8727   46.223  106.332   13.781   48.978   21.031 57.35484 25.14420 
1 1 1    6   -1   36 o   37.001   15.034   8.0338   21.741   1.9731   28.145   17.000   34.233   38.813   16.532   47.481   19.015 -8.667873 25.19677 
1 1 1    6   -1   37 o   37.067   15.331   6.3966   23.125   6.6302   29.449   6.0208   37.350   41.020   17.161   45.104   19.122 -4.084568 25.69304 
1 1 1    6   -1   38 o   61.105   22.326   46.456   44.370   46.456   44.370   0.0000   0.0000   61.105   22.326  ?   ?  0.000000 22.32567 
1 1 1    6   -1   39 f   49.741   17.618   30.532   27.381   19.646   36.161   45.160   41.919   48.427   19.490   59.666   21.715 -11.23908 29.17932 
1 1 1    6   -1   40 o   63.175   18.895   56.389   32.119   54.373   41.515   59.395   50.695   62.818   21.733   65.880   23.895 -3.061443 32.30025 
1 1 1    6   -1   41 o   56.174   19.737   42.429   34.303   63.023   43.617   9.0372   55.539   65.890   22.290   52.057   22.701 13.83251 31.81474 
1 1 1    6   -1   42 o   57.957   21.704   45.050   42.390   70.040   72.998   32.336   52.068   69.381   27.774   56.010   23.070 13.37133 36.10513 
1 1 1    6    0    0 o  220.340   9.2158  607.508   50.708  621.756   71.753  593.291   71.672  222.298   12.982  217.092   13.285 5.205673 18.57456 
1 1 1    6    0    1 o  375.072   12.881  1764.16  120.647  1758.11  170.626  1770.21  170.615  373.606   18.289  374.902   18.224 -1.295776 25.81846 
1 1 1    6    0    2 o  297.941   10.970  1112.04   81.616  1119.30  115.418  1104.78  115.427  298.015   15.563  296.051   15.669 1.963959 22.08443 
1 1 1    6    0    3 o  441.147   14.592  2444.86  160.747  2472.34  227.388  2417.41  227.274  442.281   20.588  437.282   20.813 4.998810 29.27560 
1 1 1    6    0    4 o  403.493   13.600  2044.09  137.033  2078.70  193.853  2009.52  193.737  405.799   19.130  398.917   19.448 6.882263 27.27966 
1 1 1    6    0    5 o  112.050   7.7997  157.811   21.688  157.811   30.750  157.812   30.594  111.660   11.178  111.668   11.119 -0.7865906E-02 15.76661 
1 1 1    6    0    6 o  329.277   16.728  1368.25  137.099  1396.76  193.936  1339.77  193.839  330.981   23.619  323.977   24.132 7.004150 33.76744 
1 1 1    6    0    7 o  442.560   20.788  2473.68  229.742  2481.66  324.995  2465.71  324.815  439.714   29.773  438.260   29.857 1.454193 42.16499 
1 1 1    6    0    8 o   75.240   7.8998   71.562   14.621   74.729   20.833   68.488   20.526   76.442   11.250   73.052   11.643 3.390556 16.18985 
1 1 1    6    0    9 o  124.759   7.7825  195.322   24.125  209.087   34.311  181.863   33.929  128.815   10.765  119.993   11.462 8.822792 15.72487 
1 1 1    6    0   10 o  626.399   27.963  4961.45  437.409   0.0000   0.0000  4961.45  437.409  ?   ?   626.399   27.963 0.000000 27.96316 
1 1 1    6    0   11 o  728.817   32.116  6732.37  584.511  6732.37  584.511   0.0000   0.0000  728.817   32.116  ?   ?  0.000000 32.11612 
1 1 1    6    0   12 o  1028.24   31.112 13375.20  798.863 12901.08  1129.18 13850.31  1130.35  1002.69   45.097  1039.88   43.529 -37.19104 62.67755 
1 1 1    6    0   13 o  1208.60   36.580 18560.07  1104.03 18385.54  1561.03 18734.74  1561.64  1192.06   52.440  1203.71   51.952 -11.65698 73.81755 
1 1 1    6    0   14 o  624.881   19.048  4898.68  297.228  4538.81  419.776  5260.51  420.915  599.836   28.024  646.208   26.084 -46.37164 38.28481 
1 1 1    6    0   15 o  782.946   33.969  7773.23  664.153  8447.21  940.193  7101.93  938.318  809.447   46.712  739.669   51.113 69.77838 69.24284 
1 1 1    6    0   16 o  483.984   15.800  2935.18  190.953  3099.06  269.829  2770.76  270.269  496.519   21.762  469.289   23.062 27.23032 31.70907 
1 1 1    6    0   17 o  528.324   16.905  3500.81  223.037  3529.54  314.989  3471.92  315.858  529.320   23.830  524.930   24.096 4.390686 33.88919 
1 1 1    6    0   18 o  169.934   8.4567  361.026   35.887  365.836   49.128  355.523   52.547  170.574   11.603  168.033   12.615 2.541504 17.13940 
1 1 1    6    0   19 o   80.615   8.9513   82.280   17.716   82.045   22.446   82.668   28.850   80.132   11.551   79.892   15.012 0.2400742 18.94165 
1 1 1    6    0   20 o  126.907   11.981  203.592   37.520  182.862   46.497  242.284   63.525  119.600   15.967  137.411   19.023 -17.81098 24.83584 
1 1 1    6    0   21 o  428.417   20.303  2319.73  217.206  2281.36  304.126  2359.68  310.319  421.264   29.088  428.426   29.179 -7.161713 41.20142 
1 1 1    6    0   22 o  207.028   9.0918  536.716   47.003  495.681   64.010  584.734   69.243  198.238   13.003  215.390   12.934 -17.15216 18.33959 
1 1 1    6    0   23 o  278.306   12.258  973.079   85.189  970.011  104.115  979.294  148.180  277.025   15.107  276.607   21.624 0.4173584 26.37891 
1 1 1    6    0   24 o  342.421   14.067  1477.57  120.282  1553.38  147.304  1325.88  208.364  350.401   16.834  319.741   26.330 30.66031 31.25176 
1 1 1    6    0   25 o  200.756   10.315  507.276   51.537  476.390   62.765  571.200   90.296  194.062   13.027  211.611   17.237 -17.54855 21.60638 
1 1 1    6    0   26 o  334.845   17.161  1425.98  143.014  1496.39  202.794  1356.32  201.714  340.097   24.033  323.157   25.195 16.93991 34.81921 
1 1 1    6    0   27 o  187.678   10.654  444.055   49.726  489.889   60.943  352.759   86.011  196.820   12.464  164.662   21.425 32.15790 24.78662 
1 1 1    6    0   28 o  216.243   11.087  589.650   59.669  671.469   73.064  425.810  103.392  230.443   12.746  180.351   23.517 50.09178 26.74900 
1 1 1    6    0   29 o  171.790   10.456  372.326   44.644  413.483   54.926  292.207   76.635  180.736   12.242  149.583   21.102 31.15277 24.39606 
1 1 1    6    0   30 o  120.851   10.924  185.235   32.611  189.492   39.721  176.432   57.121  121.800   13.274  115.706   20.521 6.094551 24.43989 
1 1 1    6    0   31 o  214.794   11.234  582.632   60.046  709.168   74.224  342.988  102.146  236.700   12.603  160.090   26.476 76.60950 29.32279 
1 1 1    6    0   32 o  212.566   11.095  570.883   58.688  657.983   72.708  408.033   99.418  227.809   12.833  175.932   23.195 51.87630 26.50816 
1 1 1    6    0   33 o   40.019   15.152   14.815   20.786   0.5332   26.353   38.327   33.813   37.548   15.995   56.874   19.617 -19.32610 25.31175 
1 1 1    6    0   34 o   51.491   18.086   30.616   28.803   30.616   28.803   0.0000   0.0000   51.491   18.086  ?   ?  0.000000 18.08626 
1 1 1    6    0   35 o   52.980   18.363   33.460   29.644   44.487   50.177   27.547   36.741   63.678   23.659   52.974   20.124 10.70401 31.05972 
1 1 1    6    0   36 o  123.503   11.540  195.727   35.180  250.740   44.852  107.780   56.711  139.432   13.033   87.665   24.796 51.76663 28.01234 
1 1 1    6    0   37 o   71.491   15.492   68.852   26.859   77.882   34.648   55.255   42.518   75.308   18.547   65.055   22.008 10.25333 28.78037 
1 1 1    6    0   38 o   54.743   17.010   39.895   25.705   50.654   33.698   24.922   39.754   61.322   19.534   52.222   20.627 9.100079 28.40890 
1 1 1    6    0   39 o   67.294   23.483   61.343   48.520   61.343   48.520   0.0000   0.0000   67.294   23.483  ?   ?  0.000000 23.48315 
1 1 1    6    0   40 o   37.823   16.226   1.8949   27.466   13.714   36.171 -14.1996   42.210   46.361   19.174   41.869   18.921 4.491673 26.93836 
1 1 1    6    0   41 o  164.958   12.728  358.325   52.026  497.069   66.079  132.049   84.386  193.607   13.757   89.191   30.978 104.4166 33.89536 
1 1 1    6    0   42 o  101.059   16.591  142.389   40.416  194.601   52.963   69.596   62.536  116.862   18.785   69.316   26.273 47.54674 32.29792 
1 1 1    6    1    0 o  160.088   7.9210  320.493   31.666  336.305   44.821  304.735   44.743  163.500   11.043  155.536   11.603 7.963852 16.01789 
1 1 1    6    1    1 o  272.329   10.349  928.503   70.378  918.009   99.529  938.997   99.530  270.003   14.818  273.108   14.647 -3.104645 20.83560 
1 1 1    6    1    2 o  238.821   9.6549  713.883   57.580  733.117   81.440  694.658   81.421  241.355   13.567  234.865   13.945 6.489029 19.45596 
1 1 1    6    1    3 o  157.257   8.1967  310.187   32.077  306.424   45.347  313.956   45.381  155.923   11.732  157.856   11.594 -1.932816 16.49402 
1 1 1    6    1    4 o  155.955   8.0525  305.063   31.253  326.363   44.309  283.974   44.090  161.007   11.088  150.038   11.864 10.96866 16.23896 
1 1 1    6    1    5 o  319.065   11.474  1276.15   91.423  1299.27  129.323  1253.05  129.260  320.915   16.190  315.081   16.486 5.833710 23.10578 
1 1 1    6    1    6 o  246.943   9.8462  763.617   60.718  748.513   85.869  778.722   85.868  243.704   14.171  248.635   13.885 -4.930664 19.83980 
1 1 1    6    1    7 o  389.490   13.237  1903.57  128.742  1866.20  182.047  1940.97  182.090  384.648   18.953  392.355   18.585 -7.706085 26.54423 
1 1 1    6    1    8 o  510.204   23.378  3295.15  297.855  3374.60  421.450  3215.87  421.012  511.823   33.152  499.207   33.975 12.61633 47.46956 
1 1 1    6    1    9 o  284.972   15.201  1021.80  107.786  998.976  152.549  1044.55  152.316  280.595   21.946  287.072   21.401 -6.476837 30.65335 
1 1 1    6    1   10 o  349.959   12.129  1533.14  105.998  1481.33  149.861  1585.01  149.948  343.068   17.552  355.398   16.896 -12.33029 24.36224 
1 1 1    6    1   11 o  579.635   18.320  4216.69  265.175  4124.56  374.920  4308.91  375.108  571.719   26.261  584.486   25.700 -12.76721 36.74379 
1 1 1    6    1   12 o  591.999   18.550  4396.92  274.233  4512.74  387.928  4281.23  387.720  598.372   25.961  582.676   26.647 15.69611 37.20262 
1 1 1    6    1   13 o  909.368   27.220 10426.67  618.136 10799.42  874.504 10054.48  873.848  921.232   38.014  888.274   39.395 32.95844 54.74487 
1 1 1    6    1   14 f  633.170   19.812  5031.14  313.260  5060.40  442.922  5001.86  443.112  633.409   28.002  629.695   28.179 3.714783 39.72665 
1 1 1    6    1   15 o  728.541   22.518  6671.29  409.664  6772.67  579.292  6569.87  579.414  731.684   31.705  720.497   32.204 11.18665 45.19146 
1 1 1    6    1   16 o  333.039   16.785  1393.70  139.143  1335.57  196.457  1452.21  197.099  324.843   24.396  338.979   23.428 -14.13553 33.82395 
1 1 1    6    1   17 o  647.148   28.764  5292.75  464.843  5260.49  657.194  5325.06  657.580  639.855   41.351  643.891   41.111 -4.035400 58.31002 
1 1 1    6    1   18 o  128.716   8.4705  208.003   27.074  220.769   36.509  192.402   40.358  132.370   11.149  123.242   13.326 9.127434 17.37433 
1 1 1    6    1   19 o  174.503   8.8633  381.763   38.497  383.064   52.847  380.292   56.192  174.484   12.205  173.754   13.046 0.7307892 17.86530 
1 1 1    6    1   20 o  247.989   10.166  769.653   62.954  805.310   87.704  731.754   90.418  253.031   13.934  241.003   15.100 12.02820 20.54661 
1 1 1    6    1   21 o  217.363   9.5829  591.366   52.016  590.621   71.735  592.192   75.534  216.574   13.329  216.766   14.029 -0.1913452 19.35144 
1 1 1    6    1   22 o  318.437   15.670  1275.97  124.607  1146.65  171.347  1421.12  181.537  299.679   23.074  334.158   21.876 -34.47824 31.79565 
1 1 1    6    1   23 o  306.297   12.825  1178.64   98.096  1114.42  119.804  1309.29  170.877  296.861   16.222  320.375   21.483 -23.51416 26.92003 
1 1 1    6    1   24 o  340.534   13.817  1459.88  117.493  1406.80  143.657  1567.12  204.191  333.071   17.332  349.371   23.542 -16.30057 29.23356 
1 1 1    6    1   25 o  305.928   12.994  1178.12   99.270  1238.72  121.543  1056.68  172.049  313.152   15.543  285.905   24.329 27.24689 28.87015 
1 1 1    6    1   26 o  138.436   9.8188  241.678   33.723  225.794   40.931  275.249   59.504  133.376   12.433  146.543   16.551 -13.16638 20.69997 
1 1 1    6    1   27 o  215.231   13.663  586.618   73.055  474.274  103.451  698.375  103.181  191.186   22.074  233.828   17.804 -42.64201 28.35958 
1 1 1    6    1   28 o  198.376   10.747  496.043   53.039  486.019   64.921  516.163   91.975  195.851   13.354  200.534   18.578 -4.682190 22.87929 
1 1 1    6    1   29 o   73.325   12.138   69.472   21.448   65.124   25.611   79.682   39.246   70.445   15.018   77.524   20.104 -7.078873 25.09354 
1 1 1    6    1   30 o   65.003   12.947   55.148   20.278   45.851   24.872   73.576   35.018   59.195   16.306   74.524   18.814 -15.32916 24.89702 
1 1 1    6    1   31 o  186.846   10.876  440.737   50.525  428.260   62.030  465.335   87.092  183.599   13.627  190.064   18.588 -6.465591 23.04741 
1 1 1    6    1   32 o  244.641   20.933  775.281  126.649  775.281  126.649   0.0000   0.0000  244.641   20.933  ?   ?  0.000000 20.93273 
1 1 1    6    1   33 o  101.246   20.422  136.477   49.851   0.0000   0.0000  136.477   49.851  ?   ?   101.246   20.422 0.000000 20.42168 
1 1 1    6    1   34 o  184.416   13.762  434.062   62.919  434.062   62.919   0.0000   0.0000  184.416   13.762  ?   ?  0.000000 13.76178 
1 1 1    6    1   35 o  115.794   11.662  171.476   33.264  205.904   41.776  111.840   54.983  126.538   13.426   90.294   23.980 36.24334 27.48306 
1 1 1    6    1   36 o  172.529   11.107  379.054   47.598  430.234   59.695  289.719   78.867  183.160   13.139  146.377   22.279 36.78328 25.86459 
1 1 1    6    1   37 o  243.367   14.117  764.826   85.427  1108.61  126.429  476.000  115.883  290.652   17.501  184.644   25.840 106.0080 31.20894 
1 1 1    6    1   38 o   97.879   13.422  125.702   31.943  133.878   41.105  113.236   50.755   99.650   17.136   89.353   22.701 10.29761 28.44267 
1 1 1    6    1   39 o   63.848   17.315   56.082   28.303   80.768   37.846   24.759   42.632   75.846   19.778   53.134   21.241 22.71198 29.02286 
1 1 1    6    1   40 o   81.412   16.493   90.961   32.382  104.580   41.911   70.786   51.008   85.914   19.922   70.982   24.104 14.93179 31.27160 
1 1 1    6    1   41 o  126.731   18.121  221.874   55.715  221.874   55.715   0.0000   0.0000  126.731   18.121  ?   ?  0.000000 18.12093 
1 1 1    6    1   42 o   55.328   19.472   40.425   33.396   34.245   44.766   48.180   50.148   55.707   21.925   61.563   23.481 -5.855949 32.12587 
1 1 1    6    1   43 o   52.173   19.622   33.535   34.720   9.0780   47.875   60.671   50.428   48.922   21.206   64.983   23.792 -16.06111 31.87115 
1 1 1    6    2    0 o  235.902   9.3911  696.373   55.322  691.235   78.257  701.505   78.218  234.383   13.426  236.137   13.319 -1.754059 18.91187 
1 1 1    6    2    1 o  320.388   11.383  1285.83   91.074  1287.57  128.803  1284.09  128.793  319.673   16.188  319.237   16.209 0.4359131 22.90799 
1 1 1    6    2    2 o  105.352   7.6355  139.516   19.951  140.108   28.245  138.926   28.186  105.210   10.909  104.757   10.936 0.4523468 15.44672 
1 1 1    6    2    3 o  106.934   7.6630  143.734   20.327  137.696   28.723  149.792   28.772  104.242   11.210  108.839   10.725 -4.596519 15.51448 
1 1 1    6    2    4 o  229.437   9.4478  658.953   54.131  652.839   76.554  665.066   76.551  227.671   13.526  229.819   13.397 -2.147720 19.03736 
1 1 1    6    2    5 o  167.869   8.3242  352.580   34.895  354.697   49.384  350.469   49.314  167.781   11.863  166.766   11.920 1.014969 16.81746 
1 1 1    6    2    6 o  351.317   12.242  1548.04  107.397  1551.94  151.912  1544.14  151.852  350.964   17.333  350.075   17.370 0.8891602 24.53913 
1 1 1    6    2    7 o  346.085   12.127  1501.93  104.803  1513.02  148.260  1490.86  148.168  346.622   17.128  343.617   17.323 3.004761 24.36139 
1 1 1    6    2    8 o  268.109   10.285  900.073   68.863  906.445   97.447  893.716   97.327  268.280   14.601  266.370   14.689 1.909668 20.71062 
1 1 1    6    2    9 o  150.378   11.413  284.818   42.538   0.0000   0.0000  284.818   42.538  ?   ?   150.378   11.413 0.000000 11.41297 
1 1 1    6    2   10 o  400.329   19.028  2015.02  190.226  2015.02  190.226   0.0000   0.0000  400.329   19.028  ?   ?  0.000000 19.02842 
1 1 1    6    2   11 f  114.376   10.834  165.111   30.575  170.440   43.597  159.954   42.891  115.592   15.493  111.868   15.793 3.724075 22.12344 
1 1 1    6    2   12 o  302.444   11.059  1144.15   83.525  1063.00  118.061  1225.47  118.185  290.764   16.326  312.766   15.132 -22.00220 22.25990 
1 1 1    6    2   13 o  830.909   25.476  8695.79  528.606  8621.84  747.441  8769.79  747.683  823.682   36.338  830.839   36.037 -7.156982 51.17769 
1 1 1    6    2   14 o  568.027   17.998  4045.59  255.291  4058.13  360.963  4033.03  361.109  567.717   25.461  565.942   25.551 1.775391 36.07146 
1 1 1    6    2   15 f  349.486   12.253  1527.99  106.936  1626.45  151.118  1429.24  151.342  360.264   16.797  337.148   18.041 23.11676 24.65042 
1 1 1    6    2   16 o  212.173   9.0944  562.698   48.185  551.654   67.486  574.183   68.822  209.564   12.959  213.817   12.950 -4.253448 18.32101 
1 1 1    6    2   17 o  742.626   22.885  6936.44  424.391  7120.00  600.117  6752.79  600.241  749.766   32.052  729.888   32.932 19.87836 45.95509 
1 1 1    6    2   18 o  426.621   20.138  2286.65  214.537  2281.71  303.170  2291.60  303.633  423.849   28.814  424.776   28.795 -0.9267883 40.73576 
1 1 1    6    2   19 o  432.698   13.681  2345.35  147.828  2178.82  208.138  2514.87  209.994  416.279   20.022  447.416   18.795 -31.13693 27.46189 
1 1 1    6    2   20 o  481.164   15.650  2905.27  188.047  2943.34  265.325  2866.84  266.556  483.128   21.992  476.723   22.391 6.405579 31.38474 
1 1 1    6    2   21 o  611.138   19.272  4705.52  294.122  4847.66  415.444  4562.69  416.460  617.669   26.934  598.880   27.847 18.78815 38.74183 
1 1 1    6    2   22 o  184.227   8.6026  424.669   39.576  342.641   53.357  524.991   59.007  164.740   13.078  204.329   11.612 -39.58910 17.48914 
1 1 1    6    2   23 o  380.694   15.107  1823.69  143.615  1818.12  175.642  1834.93  249.460  379.369   18.540  377.936   26.602 1.432251 32.42522 
1 1 1    6    2   24 o  147.946   16.585  279.631   60.220  279.631   60.220   0.0000   0.0000  147.946   16.585  ?   ?  0.000000 16.58530 
1 1 1    6    2   25 o  297.333   12.662  1111.87   94.013  1027.77  114.823  1282.92  163.751  284.766   16.214  316.805   20.814 -32.03894 26.38433 
1 1 1    6    2   26 f  171.668   10.062  371.057   42.946  383.236   52.360  346.017   75.075  174.150   12.115  164.059   18.657 10.09142 22.24541 
1 1 1    6    2   27 f  138.467   9.8902  241.834   33.973  243.136   41.336  239.125   59.638  138.499   12.072  136.113   17.986 2.385834 21.66207 
1 1 1    6    2   28 f  371.312   14.751  1742.22  136.776  1668.63  167.378  1890.12  237.294  361.671   18.595  381.773   25.029 -20.10214 31.18064 
1 1 1    6    2   29 o  313.137   15.898  1245.19  123.910  1504.87  176.651  993.667  173.851  342.359   20.761  275.931   25.520 66.42822 32.89768 
1 1 1    6    2   30 o  195.751   10.675  483.099   51.984  491.633   63.450  465.676   90.663  197.030   12.968  190.086   19.371 6.944107 23.31095 
1 1 1    6    2   31 o  157.976   10.379  315.029   40.717  336.138   50.003  273.483   70.149  162.839   12.390  144.963   19.903 17.87521 23.44455 
1 1 1    6    2   32 o  102.487   11.361  133.849   28.588   93.950   35.195  211.225   49.012   84.439   17.274  128.125   15.643 -43.68543 23.30438 
1 1 1    6    2   33 o  200.369   19.652  519.685   97.063  519.685   97.063   0.0000   0.0000  200.369   19.652  ?   ?  0.000000 19.65153 
1 1 1    6    2   34 o  143.597   10.943  261.422   38.946  247.471   47.940  288.502   66.790  139.014   14.000  148.963   18.342 -9.948334 23.07494 
1 1 1    6    2   35 f  170.008   11.030  366.536   46.575  375.504   57.741  349.833   78.799  171.405   13.602  163.343   19.717 8.062393 23.95363 
1 1 1    6    2   36 f  202.045   11.372  518.844   57.144  509.894   70.893  535.445   96.551  199.260   14.343  201.961   19.382 -2.701157 24.11241 
1 1 1    6    2   37 o  268.262   12.625  918.472   84.577  923.600  104.488  908.727  144.033  266.996   15.741  260.096   22.394 6.900513 27.37294 
1 1 1    6    2   38 o   79.494   18.346   86.373   35.679  102.213   57.594   76.508   45.451   84.923   25.280   74.456   22.524 10.46639 33.85830 
1 1 1    6    2   39 o  154.594   11.547  307.894   44.256  371.716   56.507  206.641   71.174  169.017   13.501  119.996   24.579 49.02066 28.04272 
1 1 1    6    2   40 o   67.018   17.870   62.276   30.454   78.740   39.661   38.621   47.538   74.589   20.609   59.188   22.792 15.40034 30.72788 
1 1 1    6    2   41 o   81.969   17.405   93.194   34.525  111.594   44.329   64.825   55.044   88.418   20.480   69.099   24.924 19.31839 32.25868 
1 1 1    6    2   42 o   82.296   27.573  104.912   66.736  104.912   66.736   0.0000   0.0000   82.296   27.573  ?   ?  0.000000 27.57323 
1 1 1    6    2   43 o   54.769   19.581   39.291   33.898   90.094   47.081 -15.3920   48.846   77.151   22.831   44.276   20.145 32.87457 30.44833 
1 1 1    6    3    0 o  714.348   21.744  6449.13  387.875  6425.42  548.516  6472.84  548.558  708.644   30.996  711.318   30.882 -2.673218 43.75484 
1 1 1    6    3    1 o  300.971   10.919  1134.47   82.067  1144.28  116.096  1124.68  116.025  301.418   15.476  298.796   15.604 2.622406 21.97714 
1 1 1    6    3    2 o  432.002   14.157  2342.33  152.726  2362.94  216.033  2321.73  215.942  432.786   19.989  428.958   20.159 3.828278 28.38943 
1 1 1    6    3    3 o  413.822   13.832  2149.22  142.936  2142.22  202.158  2156.23  202.125  412.072   19.646  413.432   19.578 -1.359955 27.73527 
1 1 1    6    3    4 o  504.948   16.320  3207.59  205.788  3210.16  291.025  3205.02  291.033  503.244   23.158  502.834   23.177 0.4094238 32.76412 
1 1 1    6    3    5 o  209.748   9.0521  550.634   47.413  548.575   67.058  552.692   67.046  208.699   12.931  209.492   12.879 -0.7923584 18.24998 
1 1 1    6    3    6 o  114.676   7.7097  165.233   21.950  164.667   31.069  165.796   31.015  114.102   11.042  114.504   10.981 -0.4019012 15.57277 
1 1 1    6    3    7 o  349.563   12.025  1532.27  104.967  1557.53  148.507  1507.06  148.384  351.697   16.909  345.905   17.178 5.792419 24.10432 
1 1 1    6    3    8 o  207.212   12.878  540.628   66.305   0.0000   0.0000  540.628   66.305  ?   ?   207.212   12.878 0.000000 12.87752 
1 1 1    6    3    9 o  468.915   21.790  2777.38  255.159  2777.38  255.159   0.0000   0.0000  468.915   21.790  ?   ?  0.000000 21.79040 
1 1 1    6    3   10 o  585.394   18.423  4308.60  269.318  4363.43  380.973  4253.84  380.773  587.099   25.986  579.580   26.309 7.518921 36.97847 
1 1 1    6    3   11 o  532.593   16.990  3559.21  225.963  3571.13  319.604  3547.29  319.515  532.171   24.050  530.376   24.124 1.795593 34.06434 
1 1 1    6    3   12 o  157.442   7.9960  310.596   31.334  340.034   44.475  281.583   44.153  164.520   10.887  149.541   11.923 14.97913 16.14548 
1 1 1    6    3   13 o  787.929   34.535  7878.60  679.503  7879.71  960.975  7877.49  960.949  779.929   49.599  779.815   49.604 0.1134644 70.14715 
1 1 1    6    3   14 o  296.742   10.872  1101.15   80.565  1141.36  113.923  1060.93  113.950  301.513   15.179  290.602   15.761 10.91077 21.88210 
1 1 1    6    3   15 o  421.590   14.051  2224.82  147.923  2247.97  209.085  2201.62  209.304  423.255   19.782  418.844   20.011 4.410309 28.13857 
1 1 1    6    3   16 o  661.765   20.585  5498.03  340.183  5457.74  480.872  5538.39  481.310  657.499   29.288  662.386   29.098 -4.887390 41.28506 
1 1 1    6    3   17 o  922.854   27.889 10745.59  642.702 11052.72  909.037 10438.62  908.799  931.287   39.088  904.500   40.235 26.78638 56.09621 
1 1 1    6    3   18 o  209.829   8.8324  550.359   46.280  539.721   64.519  561.635   66.423  207.297   12.522  211.467   12.636 -4.170288 17.79005 
1 1 1    6    3   19 o  259.567   10.233  842.675   66.330  823.906   92.833  862.252   94.808  256.025   14.580  261.937   14.552 -5.911896 20.59951 
1 1 1    6    3   20 o  429.312   20.252  2319.16  217.111  2284.17  306.793  2354.27  307.290  423.348   29.198  429.943   28.787 -6.595306 41.00330 
1 1 1    6    3   21 o  780.063   24.183  7696.97  471.083  7913.00  665.955  7480.61  666.469  786.040   33.927  763.679   34.948 22.36169 48.70731 
1 1 1    6    3   22 o  582.813   18.653  4280.19  271.472  4381.82  383.329  4177.93  384.512  587.111   26.146  573.002   26.872 14.10925 37.49284 
1 1 1    6    3   23 o  672.098   24.405  5745.57  409.594  5648.94  501.427  5939.32  710.062  663.147   30.279  669.679   42.682 -6.531250 52.33183 
1 1 1    6    3   24 o  325.244   13.290  1329.44  107.945  1294.87  131.987  1399.27  187.586  319.996   16.574  330.844   22.845 -10.84808 28.22408 
1 1 1    6    3   25 o  256.355   20.594  840.408  130.724  840.408  130.724   0.0000   0.0000  256.355   20.594  ?   ?  0.000000 20.59411 
1 1 1    6    3   26 f  224.640   10.889  633.610   61.086  596.240   74.485  710.377  106.758  217.121   13.810  236.001   18.257 -18.87956 22.89145 
1 1 1    6    3   27 o  245.213   11.370  755.694   69.626  773.741   85.182  719.364  120.859  247.361   13.846  236.641   20.659 10.71954 24.86982 
1 1 1    6    3   28 o  335.378   13.566  1418.21  113.613  1332.03  138.964  1591.95  197.305  323.618   17.258  351.640   22.589 -28.02151 28.42699 
1 1 1    6    3   29 o  149.645   9.9757  282.386   37.065  255.023   45.137  339.038   64.947  141.690   12.898  162.830   16.187 -21.13927 20.69742 
1 1 1    6    3   30 o  204.635   13.524  530.600   68.718  524.058   98.151  536.889   96.242  201.719   19.738  204.397   19.076 -2.678040 27.44947 
1 1 1    6    3   31 o   80.888   11.869   84.092   23.261   63.410   28.351  126.693   40.690   69.331   16.596   98.508   17.165 -29.17764 23.87599 
1 1 1    6    3   32 o  116.167   10.955  171.250   31.405  157.825   38.429  198.245   54.492  110.850   14.210  123.473   18.220 -12.62228 23.10624 
1 1 1    6    3   33 o   86.734   15.993   98.440   33.363   98.440   33.363   0.0000   0.0000   86.734   15.993  ?   ?  0.000000 15.99303 
1 1 1    6    3   34 o  208.685   11.235  550.441   58.331  582.397   72.205  490.403   98.971  214.087   13.576  194.084   20.742 20.00218 24.78974 
1 1 1    6    3   35 o   88.362   21.353  105.169   46.592  105.169   46.592   0.0000   0.0000   88.362   21.353  ?   ?  0.000000 21.35271 
1 1 1    6    3   36 o  113.891   11.871  166.011   33.266  144.154   41.930  203.137   54.647  104.802   16.572  124.288   18.142 -19.48595 24.57158 
1 1 1    6    3   37 o   65.279   15.919   56.997   25.717   47.530   32.824   72.045   41.385   60.589   19.277   73.050   21.346 -12.46075 28.76189 
1 1 1    6    3   38 o  237.195   11.788  717.213   69.820  835.633   87.062  503.793  116.879  254.759   13.736  190.814   25.141 63.94525 28.64853 
1 1 1    6    3   39 o  138.537   12.155  247.766   41.627  277.788   52.951  199.192   67.352  145.655   14.762  118.898   23.517 26.75668 27.76638 
1 1 1    6    3   40 o   94.213   15.141  118.626   34.416  148.699   44.619   74.450   54.078  104.558   17.722   73.354   24.820 31.20358 30.49708 
1 1 1    6    3   41 o   72.545   17.847   73.225   32.109  111.125   42.443   22.508   49.097   88.903   19.641   54.589   22.433 34.31441 29.81674 
1 1 1    6    3   42 o   77.528   17.943   84.248   34.050   94.689   45.843   71.398   50.854   80.545   22.117   70.839   24.068 9.705490 32.68670 
1 1 1    6    3   43 o  130.762   14.438  229.190   46.360  299.964   61.375  135.153   70.746  147.989   16.911   91.667   28.176 56.32147 32.86142 
1 1 1    6    3   44 o   38.987   17.455  -7.5759   34.985   65.975   47.282 -96.5623   52.007   66.999   23.193   34.198   16.875 32.80076 28.68243 
1 1 1    6    4    0 o  429.483   14.275  2315.99  153.094  2311.13  216.503  2320.86  216.512  427.823   20.265  428.732   20.223 -0.9090576 28.62941 
1 1 1    6    4    1 o  560.033   17.751  3949.27  248.253  3975.41  351.128  3923.14  351.038  559.526   25.130  555.775   25.293 3.750793 35.65486 
1 1 1    6    4    2 f  181.070   8.3966  410.146   37.966  403.657   53.688  416.638   53.697  179.047   12.078  181.939   11.884 -2.892334 16.94441 
1 1 1    6    4    3 o  348.442   11.888  1521.89  103.444  1499.45  146.266  1544.33  146.317  345.166   16.969  350.333   16.725 -5.167450 23.82604 
1 1 1    6    4    4 o  441.303   14.586  2446.46  160.740  2442.26  227.320  2450.67  227.322  439.571   20.709  440.337   20.673 -0.7659912 29.26159 
1 1 1    6    4    5 o  276.929   10.451  960.636   72.276  972.920  102.233  948.362  102.196  277.860   14.787  274.289   14.977 3.571350 21.04662 
1 1 1    6    4    6 o  153.401   8.1448  295.231   31.088  292.871   43.958  297.593   43.973  152.402   11.638  153.645   11.545 -1.242874 16.39347 
1 1 1    6    4    7 o  573.175   18.177  4142.52  260.167  4143.97  367.951  4141.08  367.913  570.437   25.830  570.236   25.837 0.2014771 36.53428 
1 1 1    6    4    8 o  484.021   15.621  2945.32  188.813  2929.16  267.035  2961.48  267.009  481.005   22.231  483.689   22.106 -2.683746 31.35137 
1 1 1    6    4    9 o  318.016   11.446  1266.94   90.901  1285.21  128.597  1248.69  128.509  319.375   16.177  314.751   16.407 4.623291 23.04078 
1 1 1    6    4   10 o  980.320   30.056 12231.11  735.784 12181.22  1040.52 12281.02  1040.59  968.746   43.012  972.860   42.833 -4.113953 60.70177 
1 1 1    6    4   11 o  140.011   7.8604  245.803   27.371  262.259   38.885  229.641   38.536  144.370   10.865  134.966   11.545 9.404251 15.85377 
1 1 1    6    4   12 o  361.574   12.318  1636.19  111.225  1675.65  157.394  1596.83  157.199  365.497   17.245  356.759   17.645 8.738037 24.67240 
1 1 1    6    4   13 o  722.500   22.351  6563.32  403.262  6569.21  570.341  6557.43  570.255  720.295   31.708  719.642   31.732 0.6536255 44.85931 
1 1 1    6    4   14 o  626.376   19.567  4923.42  306.068  4981.37  432.883  4865.49  432.807  628.504   27.581  621.079   27.906 7.425537 39.23595 
1 1 1    6    4   15 o  724.344   31.522  6634.11  570.174  7189.41  807.072  6080.80  805.627  748.727   43.351  686.652   47.272 62.07458 64.13987 
1 1 1    6    4   16 o  485.349   15.669  2950.47  189.908  3003.80  268.483  2897.06  268.657  488.976   21.988  480.153   22.406 8.822601 31.39254 
1 1 1    6    4   17 o  786.164   23.812  7774.70  467.471  8154.58  661.302  7395.27  660.907  802.403   33.003  763.576   34.661 38.82660 47.85997 
1 1 1    6    4   18 o  208.961   9.1911  545.842   47.960  553.795   67.148  537.558   68.525  209.967   12.869  206.807   13.340 3.159500 18.53533 
1 1 1    6    4   19 o  361.092   12.421  1631.89  111.998  1582.39  157.757  1682.19  159.029  354.680   17.869  366.198   17.390 -11.51819 24.93442 
1 1 1    6    4   20 o  513.288   16.649  3305.75  213.400  3499.57  301.496  3111.17  302.091  526.971   22.911  496.569   24.362 30.40179 33.44262 
1 1 1    6    4   21 o  202.588   12.125  515.843   61.057  336.468   85.385  703.541   87.344  161.977   21.651  236.369   14.873 -74.39238 26.26784 
1 1 1    6    4   22 o  382.925   18.522  1846.27  177.114  1757.24  250.147  1935.76  250.808  370.853   27.201  389.724   25.919 -18.87039 37.57233 
1 1 1    6    4   23 o  400.890   15.490  2020.65  155.071  1964.19  189.665  2134.49  269.326  394.506   19.252  408.489   26.547 -13.98355 32.79292 
1 1 1    6    4   24 o  204.151   9.9963  522.176   50.961  416.597   61.826  745.935   90.006  181.564   13.738  243.048   14.902 -61.48375 20.26780 
1 1 1    6    4   25 o  339.874   13.596  1452.94  115.396  1374.21  141.073  1612.14  200.605  329.378   17.211  354.997   22.749 -25.61902 28.52596 
1 1 1    6    4   26 o  238.875   11.235  716.504   67.021  672.701   81.782  806.079  116.951  230.631   14.270  251.438   18.761 -20.80702 23.57157 
1 1 1    6    4   27 o  299.491   22.751  1154.26  168.879  1154.26  168.879   0.0000   0.0000  299.491   22.751  ?   ?  0.000000 22.75091 
1 1 1    6    4   28 o  262.005   11.531  863.008   75.443  752.353   92.086  1088.89  131.568  243.560   15.217  292.311   18.113 -48.75172 23.65670 
1 1 1    6    4   29 o  231.122   11.027  671.358   63.643  658.122   77.865  697.996  110.463  228.021   13.739  233.405   19.120 -5.383652 23.54413 
1 1 1    6    4   30 f  150.118   10.065  284.222   37.511  248.166   45.674  358.934   65.747  139.686   13.253  167.646   15.895 -27.96069 20.69470 
1 1 1    6    4   31 o  272.339   12.226  934.107   83.147  940.762  101.950  920.886  143.689  272.306   15.051  267.128   21.729 5.178619 26.43238 
1 1 1    6    4   32 o  299.210   23.254  1160.85  172.382   0.0000   0.0000  1160.85  172.382  ?   ?   299.210   23.254 0.000000 23.25356 
1 1 1    6    4   33 o  262.324   11.997  867.199   78.591  967.924   96.444  668.110  135.591  276.333   14.022  225.842   24.432 50.49133 28.16979 
1 1 1    6    4   34 o  168.731   10.819  359.833   45.348  375.119   55.591  329.430   78.401  171.827   13.053  159.010   20.200 12.81741 24.05079 
1 1 1    6    4   35 o   87.127   13.369   98.250   28.159   81.112   34.543  132.199   48.618   78.091   18.072   99.622   20.234 -21.53043 27.12901 
1 1 1    6    4   36 o  218.522   14.506  610.476   78.709  610.476   78.709   0.0000   0.0000  218.522   14.506  ?   ?  0.000000 14.50624 
1 1 1    6    4   37 o   40.533   16.809   6.4030   27.903   6.4030   27.903   0.0000   0.0000   40.533   16.809  ?   ?  0.000000 16.80885 
1 1 1    6    4   38 o  152.805   11.613  298.506   43.983  279.952   54.541  333.011   74.378  146.775   15.096  158.406   19.195 -11.63197 24.41966 
1 1 1    6    4   39 o  173.052   11.687  383.930   50.210  408.515   62.735  340.115   83.749  177.413   14.281  157.843   21.832 19.57071 26.08796 
1 1 1    6    4   40 o   46.084   17.331   22.078   27.088   23.370   36.222   20.437   40.801   50.434   19.762   51.294   20.682 -0.8598862 28.60588 
1 1 1    6    4   41 o  100.222   17.458  136.914   42.104  207.859   66.611   89.711   54.334  120.784   22.923   78.885   24.766 41.89903 33.74656 
1 1 1    6    4   42 o   39.420   16.644   5.0603   28.110  -1.5978   39.098   12.184   40.443   43.473   19.000   48.001   20.098 -4.527714 27.65721 
1 1 1    6    4   43 o   72.784   18.990   75.395   34.879   79.094   46.999   70.860   52.037   73.544   23.025   70.444   24.334 3.099304 33.50076 
1 1 1    6    4   44 o   45.075   18.480   15.102   33.218   31.104   46.723  -1.2544   47.238   55.208   22.177   46.701   20.630 8.506485 30.28936 
1 1 1    6    5    0 o  589.394   21.272  4395.19  313.087  4585.86  383.663  4015.10  541.687  600.280   25.594  553.323   39.462 46.95691 47.03504 
1 1 1    6    5    1 o  577.991   18.015  4210.39  260.022  4241.50  367.779  4179.29  367.673  577.432   25.506  573.104   25.691 4.327881 36.20159 
1 1 1    6    5    2 o  647.954   20.341  5304.52  329.130  5330.80  465.509  5278.26  465.411  645.718   28.869  642.455   29.010 3.263428 40.92669 
1 1 1    6    5    3 o  970.489   28.811 12042.77  698.229 11879.63  987.235 12206.04  987.655  951.917   41.531  965.530   40.963 -13.61334 58.33316 
1 1 1    6    5    4 o  304.097   11.076  1158.81   84.112  1165.02  118.974  1152.60  118.930  303.956   15.728  302.313   15.809 1.643066 22.30000 
1 1 1    6    5    5 o  386.144   13.105  1871.35  126.370  1869.27  178.735  1873.44  178.693  384.928   18.594  385.363   18.569 -0.4349670 26.27836 
1 1 1    6    5    6 o  516.195   16.617  3354.88  214.203  3350.31  302.937  3359.46  302.919  513.669   23.617  514.382   23.583 -0.7129517 33.37490 
1 1 1    6    5    7 o  700.703   30.960  6306.07  541.732   0.0000   0.0000  6306.07  541.732  ?   ?   700.703   30.960 0.000000 30.95991 
1 1 1    6    5    8 o  359.657   17.607  1629.26  158.135  1629.26  158.135   0.0000   0.0000  359.657   17.607  ?   ?  0.000000 17.60709 
1 1 1    6    5    9 o  881.188   27.142  9877.08  597.248  9697.09  844.446 10057.24  844.825  864.596   39.112  881.104   38.396 -16.50854 54.80886 
1 1 1    6    5   10 f  501.443   16.200  3157.55  202.858  3143.62  286.888  3171.49  286.880  498.883   23.028  501.115   22.925 -2.231812 32.49414 
1 1 1    6    5   11 o  114.397   7.7332  164.326   21.962  173.710   31.227  155.141   30.893  117.334   10.778  110.764   11.328 6.570221 15.63640 
1 1 1    6    5   12 o  745.951   23.033  7005.71  429.057  6944.89  606.762  7066.54  606.793  739.544   32.855  746.102   32.568 -6.557495 46.26166 
1 1 1    6    5   13 o  651.458   20.269  5330.01  329.739  5365.13  466.395  5294.92  466.249  651.709   28.658  647.384   28.841 4.325867 40.65804 
1 1 1    6    5   14 o  990.765   30.170 12404.32  746.454 12427.29  1055.68 12381.36  1055.61  985.700   42.888  983.833   42.967 1.866150 60.70852 
1 1 1    6    5   15 o  485.992   15.642  2958.27  189.838  2973.51  268.455  2943.02  268.488  486.487   22.098  483.971   22.215 2.516327 31.33428 
1 1 1    6    5   16 f  1002.08   30.488 12685.76  762.914 12888.74  1079.07 12482.90  1078.78  1004.27   43.028  987.959   43.726 16.30884 61.34637 
1 1 1    6    5   17 o  450.115   20.728  2543.80  232.989  2959.13  329.698  2129.48  329.296  483.719   27.407  408.943   32.514 74.77542 42.52433 
1 1 1    6    5   18 o  310.404   11.470  1205.19   88.907  1272.21  125.425  1137.51  126.045  318.664   15.762  300.784   16.849 17.88034 23.07199 
1 1 1    6    5   19 o  183.291   8.7587  419.949   40.090  405.730   55.696  435.237   57.750  179.624   12.495  186.070   12.501 -6.446579 17.67480 
1 1 1    6    5   20 o  347.623   12.334  1512.68  107.073  1634.32  150.910  1389.37  151.942  360.943   16.743  332.136   18.391 28.80627 24.87074 
1 1 1    6    5   21 o  390.058   12.914  1905.89  125.791  1752.45  176.891  2062.88  178.916  372.833   19.063  405.227   17.681 -32.39352 26.00023 
1 1 1    6    5   22 o  360.608   12.874  1629.84  115.929  1694.60  163.078  1563.68  164.832  367.068   17.791  351.962   18.822 15.10513 25.89970 
1 1 1    6    5   23 o  416.271   19.753  2186.57  205.333  2076.70  290.037  2296.96  290.734  402.250   29.070  423.683   27.630 -21.43304 40.10597 
1 1 1    6    5   24 o  250.856   11.446  789.039   71.700  793.453   87.583  780.070  124.849  250.907   14.035  247.496   20.382 3.410873 24.74654 
1 1 1    6    5   25 o  340.707   13.859  1459.86  117.914  1421.86  144.209  1536.52  204.818  335.145   17.290  346.351   23.826 -11.20679 29.43832 
1 1 1    6    5   26 f  144.869   9.5359  264.190   34.305  245.175   41.587  304.685   60.687  139.180   12.085  154.578   15.951 -15.39876 20.01222 
1 1 1    6    5   27 o  136.160   9.3555  233.519   31.617  204.198   38.341  295.832   55.894  126.859   12.256  152.433   14.873 -25.57449 19.27200 
1 1 1    6    5   28 o   71.480   17.240   67.296   30.416   67.296   30.416   0.0000   0.0000   71.480   17.240  ?   ?  0.000000 17.23971 
1 1 1    6    5   29 o  291.749   12.221  1071.12   89.035  886.847  108.504  1450.95  155.780  264.124   16.534  337.365   18.562 -73.24130 24.85841 
1 1 1    6    5   30 o  585.142   21.470  4382.80  313.719  4527.65  384.461  4094.16  542.713  591.323   26.036  548.164   39.921 43.15930 47.66119 
1 1 1    6    5   31 o  539.786   20.086  3720.83  270.754  3585.74  331.544  3991.31  469.133  526.532   25.215  546.400   34.560 -19.86786 42.78122 
1 1 1    6    5   32 o  528.176   23.638  3597.78  311.777  3597.78  311.777   0.0000   0.0000  528.176   23.638  ?   ?  0.000000 23.63817 
1 1 1    6    5   33 o  155.099   13.033  305.599   50.009  323.920   72.178  288.684   69.353  158.358   18.607  149.260   19.040 9.098206 26.62243 
1 1 1    6    5   34 o  381.185   15.333  1842.64  145.952  1816.47  179.056  1894.45  251.948  376.419   19.111  379.777   26.737 -3.358185 32.86506 
1 1 1    6    5   35 o  134.040   10.976  227.804   36.417  239.895   45.258  205.594   61.337  137.077   13.392  124.954   20.358 12.12312 24.36811 
1 1 1    6    5   36 o  402.025   15.988  2062.25  160.512  1981.25  196.899  2222.73  277.137  391.073   20.231  408.300   27.339 -17.22757 34.01062 
1 1 1    6    5   37 o   67.184   15.738   60.025   25.941   35.860   33.014   99.022   41.939   55.318   19.367   85.694   19.968 -30.37587 27.81738 
1 1 1    6    5   38 o  211.675   21.182  595.378  110.465  595.378  110.465   0.0000   0.0000  211.675   21.182  ?   ?  0.000000 21.18224 
1 1 1    6    5   39 o  159.715   11.626  326.550   46.050  310.224   57.779  354.979   76.244  154.316   15.191  163.313   19.054 -8.996399 24.36792 
1 1 1    6    5   40 o   83.410   15.425   93.076   30.945   90.430   40.825   96.648   47.442   80.685   20.284   82.874   22.393 -2.188560 30.21392 
1 1 1    6    5   41 o  102.207   14.032  137.899   34.868  178.611   46.273   84.411   53.038  115.437   16.523   77.155   24.499 38.28126 29.55072 
1 1 1    6    5   42 o   80.114   19.445   90.203   38.509  130.137   61.042   63.803   49.632   93.610   25.446   68.542   23.760 25.06779 34.81419 
1 1 1    6    5   43 o  135.883   13.179  242.827   44.156  351.626   58.711  101.141   66.999  162.840   14.593   81.947   27.627 80.89304 31.24386 
1 1 1    6    5   44 f   48.150   18.849   23.212   32.928  -1.2528   46.112   48.669   47.038   46.463   20.461   61.484   22.894 -15.02157 30.70500 
1 1 1    6    5   45 o   86.857   19.154  109.141   40.428  160.662   55.543   51.092   58.957  103.717   22.120   63.622   25.123 40.09478 33.47343 
1 1 1    6    6    0 o  910.020   32.661 10682.04  742.208 10912.29  909.242 10222.21  1284.90  912.613   39.897  856.122   60.491 56.49121 72.46319 
1 1 1    6    6    1 o  228.557   10.577  654.477   60.366  722.427   74.012  519.449  104.333  239.659   12.409  201.558   21.039 38.10078 24.42584 
1 1 1    6    6    2 o  303.786   12.817  1158.02   97.228  1149.90  119.015  1174.29  168.585  301.921   15.841  303.586   22.396 -1.665649 27.43165 
1 1 1    6    6    3 o  841.974   26.047  9033.41  547.652  9156.27  774.649  8910.65  774.345  839.154   36.967  827.364   37.479 11.79041 52.64239 
1 1 1    6    6    4 o  569.166   18.070  4085.03  256.829  4064.14  363.200  4105.91  363.223  564.852   25.749  567.805   25.617 -2.953003 36.32120 
1 1 1    6    6    5 o  147.456   7.7866  272.744   28.570  280.692   40.455  264.834   40.355  149.267   10.929  144.928   11.238 4.339523 15.67629 
1 1 1    6    6    6 o  283.126   10.547  1004.27   74.569  1003.91  105.488  1004.62  105.425  282.194   15.024  282.296   15.009 -0.1020508 21.23623 
1 1 1    6    6    7 o  196.656   8.7860  483.980   43.147  463.088   60.964  504.950   61.075  191.698   12.809  200.284   12.271 -8.586182 17.73796 
1 1 1    6    6    8 o  184.797   8.6275  427.282   39.814  432.560   56.239  421.978   56.372  185.344   12.219  183.029   12.407 2.315338 17.41391 
1 1 1    6    6    9 o  247.787   13.865  772.710   85.451  644.823  120.667  901.360  121.026  224.901   21.757  266.951   18.265 -42.05011 28.40753 
1 1 1    6    6   10 o  482.646   17.634  2928.25  212.529  2881.59  260.286  3021.58  368.133  477.936   21.809  486.147   30.478 -8.210785 37.47718 
1 1 1    6    6   11 o  116.848   7.7583  171.417   22.509  180.434   31.947  162.527   31.720  119.597   10.814  113.393   11.355 6.204308 15.68018 
1 1 1    6    6   12 o  175.765   8.3558  386.160   36.675  409.996   52.035  362.630   51.699  180.646   11.596  169.777   12.277 10.86877 16.88776 
1 1 1    6    6   13 o  616.894   19.331  4777.14  297.788  4727.20  421.116  4827.09  421.154  611.976   27.556  618.477   27.269 -6.501282 38.76760 
1 1 1    6    6   14 f  336.492   11.359  1416.18   95.446  1532.71  135.190  1300.36  134.774  349.805   15.476  321.673   16.837 28.13196 22.86890 
1 1 1    6    6   15 o  813.619   24.906  8331.16  506.027  8431.28  715.743  8231.11  715.516  815.306   35.155  805.419   35.575 9.887634 50.01463 
1 1 1    6    6   16 o  696.972   21.411  6100.47  372.655  6405.13  527.304  5796.47  526.726  712.282   29.645  677.208   31.147 35.07404 42.99963 
1 1 1    6    6   17 o  308.545   10.790  1190.44   83.136  1229.58  117.459  1151.14  117.685  313.357   15.010  302.762   15.619 10.59491 21.66246 
1 1 1    6    6   18 o  374.347   12.700  1753.52  118.722  1801.97  167.600  1704.72  168.196  379.098   17.704  368.676   18.269 10.42136 25.44013 
1 1 1    6    6   19 o  142.382   12.290  255.553   43.270  286.393   58.715  218.897   64.013  150.348   15.879  130.501   20.303 19.84673 25.77487 
1 1 1    6    6   20 o  589.123   18.617  4357.68  273.879  4374.72  387.004  4340.59  387.643  588.638   26.328  586.300   26.477 2.337769 37.33852 
1 1 1    6    6   21 o  412.816   13.741  2135.33  141.648  2028.63  199.563  2243.67  201.088  401.595   19.899  422.472   19.061 -20.87723 27.55528 
1 1 1    6    6   22 o  134.294   8.6228  226.476   28.764  240.583   38.630  208.921   43.092  138.160   11.296  128.376   13.651 9.783707 17.71871 
1 1 1    6    6   23 o  561.173   20.683  3975.44  289.846  3948.19  354.824  4030.10  502.492  557.672   25.479  557.672   36.280 0.000000 44.33318 
1 1 1    6    6   24 o  315.460   12.844  1248.78  101.184  1174.85  123.632  1398.74  176.093  305.094   16.286  331.745   21.370 -26.65088 26.86848 
1 1 1    6    6   25 o  186.446   12.387  438.303   57.346  356.867   80.579  521.875   81.629  166.794   19.728  202.857   16.251 -36.06328 25.55944 
1 1 1    6    6   26 o  203.864   10.340  522.513   52.467  481.105   63.939  607.871   91.801  195.164   13.197  218.733   16.939 -23.56844 21.47297 
1 1 1    6    6   27 o  213.615   10.543  572.626   56.239  568.070   68.707  581.875   97.900  212.092   13.036  213.448   18.552 -1.355225 22.67365 
1 1 1    6    6   28 o   69.784   10.688   62.531   18.032   48.853   21.547   94.510   32.945   61.038   14.374   85.113   16.090 -24.07523 21.57523 
1 1 1    6    6   29 o  344.028   13.970  1492.55  120.017  1430.31  146.830  1617.84  208.332  335.369   17.594  354.182   23.691 -18.81302 29.50969 
1 1 1    6    6   30 o  475.588   32.878  2998.60  388.072  2998.60  388.072   0.0000   0.0000  475.588   32.878  ?   ?  0.000000 32.87794 
1 1 1    6    6   31 o  277.640   22.090  994.003  151.885   0.0000   0.0000  994.003  151.885  ?   ?   277.640   22.090 0.000000 22.08967 
1 1 1    6    6   32 o  378.814   18.025  1825.01  170.513  1825.01  170.513   0.0000   0.0000  378.814   18.025  ?   ?  0.000000 18.02519 
1 1 1    6    6   33 o  198.958   10.835  499.176   53.629  523.800   65.835  450.604   92.463  203.381   13.031  186.704   20.151 16.67706 23.99777 
1 1 1    6    6   34 o  111.300   11.072  157.384   30.366  165.963   37.490  141.020   51.776  113.874   13.443  103.123   20.823 10.75117 24.78535 
1 1 1    6    6   35 o  288.575   16.064  1061.61  115.303  1024.42  164.021  1097.95  162.123  280.122   23.669  290.655   22.512 -10.53290 32.66549 
1 1 1    6    6   36 o   70.821   15.173   66.120   26.026   35.908   32.815  117.352   42.731   55.509   19.315   94.063   18.849 -38.55311 26.98805 
1 1 1    6    6   37 o  276.685   12.490  969.970   86.300  1073.38  106.673  774.075  146.823  289.863   14.786  241.063   24.741 48.79962 28.82262 
1 1 1    6    6   38 o  277.043   12.856  976.353   88.942  974.782  109.762  979.357  151.780  274.979   16.054  271.518   22.590 3.460693 27.71406 
1 1 1    6    6   39 o  150.476   21.552  305.492   78.672  305.492   78.672   0.0000   0.0000  150.476   21.552  ?   ?  0.000000 21.55189 
1 1 1    6    6   40 f   84.306   15.653   94.933   31.741  144.170   40.756   19.022   50.605  104.161   16.195   55.180   22.737 48.98113 27.91502 
1 1 1    6    6   41 o   41.859   16.600   13.890   25.843   24.776   35.216   1.1868   38.042   50.581   19.578   44.118   19.014 6.462593 27.29127 
1 1 1    6    6   42 o   58.055   18.246   45.267   29.481   64.794   39.924   21.851   43.719   68.319   21.194   52.643   21.345 15.67609 30.07951 
1 1 1    6    6   43 o  251.155   13.070  822.057   81.690  894.300  102.637  697.201  134.931  259.392   15.922  219.425   25.075 39.96729 29.70327 
1 1 1    6    6   44 o   56.995   20.525   41.367   37.310   58.960   60.507   30.573   47.393   67.616   25.792   55.884   22.376 11.73152 34.14521 
1 1 1    6    6   45 o  115.835   15.773  183.159   44.438  186.659   59.615  178.781   66.666  112.712   21.970  107.666   25.235 5.046600 33.45882 
1 1 1    6    7    0 o  277.351   21.534  979.949  147.972   0.0000   0.0000  979.949  147.972  ?   ?   277.351   21.534 0.000000 21.53360 
1 1 1    6    7    1 o  410.378   19.637  2128.18  201.234  2124.99  284.531  2131.37  284.643  406.602   28.197  407.229   28.164 -0.6266785 39.85287 
1 1 1    6    7    2 o  120.796   8.8855  183.621   26.615  169.511   32.434  212.707   46.568  115.733   11.369  129.270   14.686 -13.53746 18.57298 
1 1 1    6    7    3 o  432.766   16.400  2358.02  177.229  2443.71  217.133  2186.98  306.768  439.732   19.774  411.769   30.041 27.96301 35.96457 
1 1 1    6    7    4 o  259.831   11.676  846.512   75.759  837.692   92.746  864.198  131.333  257.786   14.466  260.659   20.338 -2.873077 24.95755 
1 1 1    6    7    5 o  426.386   14.143  2283.94  150.587  2320.70  213.021  2247.23  212.904  428.522   19.907  421.603   20.222 6.918854 28.37628 
1 1 1    6    7    6 o   82.285   10.946   86.325   21.934   0.0000   0.0000   86.325   21.934  ?   ?    82.285   10.946 0.000000 10.94590 
1 1 1    6    7    7 o  225.338   10.776  636.128   60.637  593.500   74.223  721.669  105.143  216.998   13.769  238.685   17.767 -21.68651 22.47791 
1 1 1    6    7    8 o  408.070   19.459  2100.47  198.296  2143.22  280.611  2057.82  280.254  409.232   27.621  400.762   28.183 8.470734 39.46110 
1 1 1    6    7    9 o  104.183   10.882  137.380   27.894  108.027   39.547  166.443   39.350   91.093   18.023  114.333   14.080 -23.23927 22.87095 
1 1 1    6    7   10 o  426.154   20.124  2286.92  214.158  2277.46  302.945  2296.37  302.785  422.445   28.891  424.246   28.750 -1.800629 40.75820 
1 1 1    6    7   11 o  185.851   12.308  434.336   56.797  423.940   80.477  444.653   80.169  182.883   17.849  187.418   17.326 -4.534622 24.87509 
1 1 1    6    7   12 o  311.945   15.980  1223.06  124.068  1301.24  175.722  1145.34  175.195  320.854   22.066  300.667   23.521 20.18710 32.25127 
1 1 1    6    7   13 o  275.323   14.871  952.225  101.864  847.855  144.027  1056.68  144.088  258.685   22.520  289.394   20.062 -30.70834 30.16050 
1 1 1    6    7   14 o  106.820   7.6455  143.312   20.260  134.567   28.908  151.752   28.401  103.096   11.421  109.663   10.499 -6.567329 15.51342 
1 1 1    6    7   15 o  375.797   12.807  1767.02  120.186  1768.87  170.045  1765.17  169.891  375.598   18.130  375.205   18.132 0.3927612 25.64105 
1 1 1    6    7   16 o  365.291   12.227  1669.24  111.539  1768.27  157.852  1570.49  157.627  375.654   16.827  353.491   17.915 22.16342 24.57868 
1 1 1    6    7   17 o  219.768   9.4426  603.731   51.821  645.588   73.229  561.744   73.342  226.774   12.985  211.386   13.973 15.38814 19.07499 
1 1 1    6    7   18 o  294.677   11.040  1085.96   81.240  1150.23  114.650  1021.16  115.134  303.054   15.150  285.022   16.243 18.03162 22.21174 
1 1 1    6    7   19 o  362.152   12.620  1641.28  114.127  1621.00  161.026  1661.76  161.776  359.492   17.937  363.997   17.798 -4.504913 25.26866 
1 1 1    6    7   20 o  122.032   12.995  188.528   38.992  243.653   52.144  118.607   58.727  138.601   15.322   95.233   24.541 43.36861 28.93139 
1 1 1    6    7   21 o  442.387   20.963  2462.99  231.586  2539.24  326.279  2385.58  328.759  446.557   29.424  432.420   30.644 14.13754 42.48311 
1 1 1    6    7   22 o  238.064   9.6688  709.028   57.480  694.817   79.994  724.198   82.649  235.040   13.688  239.954   13.852 -4.914108 19.47417 
1 1 1    6    7   23 o  611.073   22.277  4719.60  339.943  4692.62  416.195  4773.67  589.218  607.424   27.438  605.824   39.157 1.600098 47.81340 
1 1 1    6    7   24 o  237.934   10.772  709.242   64.006  613.748   77.956  906.780  112.121  220.611   14.226  267.869   16.847 -47.25826 22.05053 
1 1 1    6    7   25 f  705.138   25.601  6347.16  450.800  6378.75  552.062  6283.96  780.960  702.987   31.448  683.942   45.993 19.04492 55.71635 
1 1 1    6    7   26 o  266.565   14.763  897.477   97.889  969.341  138.460  825.663  138.413  275.710   20.252  253.836   22.055 21.87422 29.94301 
1 1 1    6    7   27 o  312.364   13.181  1227.56  102.814  1219.52  125.837  1243.71  178.320  310.307   16.296  311.182   23.112 -0.8747559 28.27994 
1 1 1    6    7   28 o  290.872   12.446  1064.15   90.403  1029.90  110.551  1133.27  157.066  285.154   15.584  297.379   21.291 -12.22467 26.38547 
1 1 1    6    7   29 o  366.098   14.600  1691.31  133.477  1621.30  163.331  1832.08  231.601  356.889   18.389  376.580   24.766 -19.69101 30.84696 
1 1 1    6    7   30 o  176.544   10.274  392.607   45.099  367.491   55.071  443.751   78.585  170.316   13.048  186.361   17.076 -16.04436 21.49031 
1 1 1    6    7   31 o  159.503   12.836  322.496   50.695  322.496   50.695   0.0000   0.0000  159.503   12.836  ?   ?  0.000000 12.83612 
1 1 1    6    7   32 o  357.969   26.141  1668.67  232.059  1668.67  232.059   0.0000   0.0000  357.969   26.141  ?   ?  0.000000 26.14054 
1 1 1    6    7   33 o  161.123   10.394  327.515   41.598  276.214   50.895  430.747   72.197  147.251   14.010  183.734   15.892 -36.48218 21.18564 
1 1 1    6    7   34 o   89.053   12.011  101.656   26.029   94.581   32.274  114.818   44.024   85.082   15.771   93.143   19.550 -8.060883 25.11842 
1 1 1    6    7   35 o  474.760   17.824  2873.90  211.318  2982.94  259.298  2658.26  364.644  481.368   21.571  444.510   33.087 36.85852 39.49770 
1 1 1    6    7   36 o  454.368   17.559  2637.26  199.236  2549.55  244.423  2810.93  343.935  443.866   22.052  458.260   30.225 -14.39343 37.41379 
1 1 1    6    7   37 o  473.349   22.683  2923.86  268.128  3075.93  380.496  2773.87  377.898  474.278   32.319  448.232   34.015 26.04523 46.92084 
1 1 1    6    7   38 o   99.597   12.666  127.856   30.790  165.116   39.311   68.716   49.525  112.960   14.253   72.789   23.728 40.17113 27.67978 
1 1 1    6    7   39 o  242.731   12.097  749.282   73.324  805.938   91.036  644.644  123.718  250.300   14.628  219.075   22.956 31.22472 27.22033 
1 1 1    6    7   40 o   67.763   16.785   62.047   28.255   39.253   36.760   94.953   44.168   57.391   20.404   82.863   21.245 -25.47170 29.45638 
1 1 1    6    7   41 o   88.135   26.323  111.927   62.370  111.927   62.370   0.0000   0.0000   88.135   26.323  ?   ?  0.000000 26.32309 
1 1 1    6    7   42 o   61.748   18.492   51.902   30.749   21.072   41.522   89.343   45.757   51.672   20.854   79.339   22.214 -27.66614 30.46902 
1 1 1    6    7   43 o  148.447   12.836  287.332   47.113  296.178   60.743  273.975   74.640  148.646   16.650  139.367   22.191 9.279053 27.74291 
1 1 1    6    7   44 o   65.758   19.574   60.723   34.531   52.705   48.091   69.256   49.613   63.756   23.251   70.106   23.773 -6.350677 33.25265 
1 1 1    6    7   45 o   49.866   19.874   23.452   37.210   22.153   61.083   24.219   46.921   57.542   24.428   53.555   21.960 3.986595 32.84757 
1 1 1    6    7   46 o   78.615   20.490   91.288   40.635   75.898   56.636  107.616   58.335   71.195   25.325   82.521   25.622 -11.32588 36.02558 
1 1 1    6    8    0 o  125.283   11.276  198.286   34.899  196.118   49.164  200.488   49.547  123.804   16.299  125.212   16.228 -1.408325 22.99965 
1 1 1    6    8    1 o  268.945   21.152  920.704  140.914   0.0000   0.0000  920.704  140.914  ?   ?   268.945   21.152 0.000000 21.15235 
1 1 1    6    8    2 o  137.419   11.366  238.313   38.654  231.843   54.482  244.870   54.848  134.720   16.542  138.576   16.153 -3.856094 23.12067 
1 1 1    6    8    3 o  605.774   21.622  4647.23  327.077  4304.90  400.120  5336.71  567.841  580.469   27.603  640.596   35.638 -60.12671 45.07775 
1 1 1    6    8    4 o  675.020   24.405  5791.88  411.388  5901.19  503.935  5573.49  712.292  678.448   29.744  647.900   44.290 30.54803 53.35149 
1 1 1    6    8    5 o  355.389   25.357  1614.76  223.557   0.0000   0.0000  1614.76  223.557  ?   ?   355.389   25.357 0.000000 25.35665 
1 1 1    6    8    6 o  185.787   12.239  434.698   56.463  434.698   56.463   0.0000   0.0000  185.787   12.239  ?   ?  0.000000 12.23882 
1 1 1    6    8    7 o  274.419   10.384  943.058   71.158  902.922  100.572  983.290  100.692  267.656   15.109  279.453   14.479 -11.79742 20.92622 
1 1 1    6    8    8 o  284.377   15.074  1018.40  106.664  1077.79  151.108  959.414  150.586  291.459   20.900  274.628   22.146 16.83087 30.45115 
1 1 1    6    8    9 o  322.029   15.942  1302.31  128.204  1061.30  180.984  1545.06  181.632  288.372   25.392  349.430   20.911 -61.05756 32.89396 
1 1 1    6    8   10 o  261.863   9.9447  857.885   65.030  920.141   92.082  795.941   91.852  270.618   13.670  251.514   14.688 19.10403 20.06524 
1 1 1    6    8   11 o  332.609   11.786  1384.64   97.896  1394.63  138.474  1374.65  138.419  333.409   16.632  330.572   16.824 2.837433 23.65685 
1 1 1    6    8   12 o  402.578   13.438  2029.27  135.092  2043.23  191.074  2015.32  191.023  403.399   18.968  400.620   19.094 2.779510 26.91404 
1 1 1    6    8   13 o  278.636   10.499  970.907   73.055  954.599  103.352  987.192  103.280  275.649   15.072  280.359   14.805 -4.709137 21.12640 
1 1 1    6    8   14 o  220.417   13.165  610.175   72.132  637.890  102.343  582.819  101.679  224.779   18.394  214.683   19.168 10.09612 26.56579 
1 1 1    6    8   15 o  1040.67   45.196 13877.49  1174.52 13256.63  1660.14 14499.67  1661.89  1000.19   66.853  1048.92   63.749 -48.72858 92.37587 
1 1 1    6    8   16 o  719.864   31.674  6552.47  569.388  6442.34  805.156  6662.65  805.318  707.604   45.812  720.007   45.016 -12.40338 64.22724 
1 1 1    6    8   17 o  842.915   25.555  8945.49  537.904  9110.76  760.895  8780.38  760.528  847.228   35.964  831.473   36.628 15.75574 51.33297 
1 1 1    6    8   18 o  499.793   15.828  3129.25  197.543  3150.68  279.304  3107.81  279.433  500.679   22.339  497.237   22.504 3.442139 31.70926 
1 1 1    6    8   19 o  753.064   23.174  7134.48  435.790  7191.05  616.198  7077.88  616.402  753.222   32.760  747.177   33.036 6.045166 46.52549 
1 1 1    6    8   20 o  412.073   13.657  2126.30  140.533  2182.46  198.496  2069.86  198.991  416.909   19.066  405.944   19.630 10.96552 27.36502 
1 1 1    6    8   21 o  582.541   18.416  4262.55  267.904  4403.56  378.691  4121.28  379.056  590.438   25.684  570.965   26.585 19.47284 36.96546 
1 1 1    6    8   22 o  507.874   33.533  3308.34  422.894  3308.34  422.894   0.0000   0.0000  507.874   33.533  ?   ?  0.000000 33.53327 
1 1 1    6    8   23 o  715.434   31.869  6546.69  569.369  6635.32  804.898  6457.92  805.521  710.210   45.626  700.060   46.340 10.14954 65.03127 
1 1 1    6    8   24 o  443.397   16.900  2474.45  187.129  2460.38  229.050  2502.69  324.501  441.234   20.788  441.378   29.613 -0.1445313 36.18084 
1 1 1    6    8   25 o  466.119   17.600  2740.49  204.861  2636.74  250.656  2949.21  355.531  455.911   22.016  478.143   29.927 -22.23224 37.15294 
1 1 1    6    8   26 o  274.900   11.948  948.683   82.020  868.259  100.144  1112.56  142.952  262.090   15.368  295.769   19.463 -33.67960 24.79937 
1 1 1    6    8   27 o  206.200   10.560  534.790   54.192  523.699   66.167  557.390   94.449  203.646   13.080  209.036   18.277 -5.389099 22.47570 
1 1 1    6    8   28 o  435.853   20.647  2418.84  224.722  2603.59  318.070  2234.71  317.541  447.410   28.619  412.930   31.021 34.47931 42.20586 
1 1 1    6    8   29 o  289.259   12.481  1052.70   90.155  970.720  110.231  1218.32  156.685  276.644   16.025  308.586   20.449 -31.94153 25.97986 
1 1 1    6    8   30 o  197.576   18.764  500.396   91.466   0.0000   0.0000  500.396   91.466  ?   ?   197.576   18.764 0.000000 18.76359 
1 1 1    6    8   31 o  141.722   12.297  254.647   43.087  254.647   43.087   0.0000   0.0000  141.722   12.297  ?   ?  0.000000 12.29658 
1 1 1    6    8   32 o  539.136   20.187  3710.16  271.778  3650.08  332.850  3830.33  470.758  531.617   25.073  534.857   35.447 -3.239807 43.41795 
1 1 1    6    8   33 o   73.487   20.149   71.181   38.080   71.181   38.080   0.0000   0.0000   73.487   20.149  ?   ?  0.000000 20.14876 
1 1 1    6    8   34 f  231.648   11.411  675.241   66.009  708.420   81.191  610.548  113.370  236.457   13.810  217.286   21.162 19.17088 25.26975 
1 1 1    6    8   35 o  140.598   10.745  250.065   37.439  190.069   45.909  369.191   64.690  121.516   15.481  170.001   15.406 -48.48454 21.83991 
1 1 1    6    8   36 o  115.736   11.483  170.426   32.750  139.956   40.422  228.638   55.871  103.761   16.124  132.884   17.244 -29.12266 23.60744 
1 1 1    6    8   37 o  319.971   13.871  1298.53  110.831  1286.39  136.335  1322.19  190.315  316.668   17.306  317.073   24.219 -0.4042358 29.76705 
1 1 1    6    8   38 o   80.240   16.931   85.574   32.859  116.361   49.926   62.048   43.643   92.626   21.925   69.305   22.247 23.32021 31.23517 
1 1 1    6    8   39 o  218.343   11.860  606.805   64.421  620.158   79.989  582.158  108.676  219.644   14.668  209.642   21.043 10.00154 25.65046 
1 1 1    6    8   40 o  127.709   12.086  209.578   38.085  227.633   48.483  180.481   61.547  132.187   14.950  114.631   22.303 17.55581 26.85063 
1 1 1    6    8   41 f  181.421   11.968  422.546   53.915  392.144   67.718  475.184   89.106  172.966   15.855  188.534   19.194 -15.56837 24.89530 
1 1 1    6    8   42 o   87.572   16.518  103.620   34.798  105.566   45.324  100.827   54.309   86.686   21.130   83.863   24.438 2.822647 32.30588 
1 1 1    6    8   43 o   88.826   22.124  112.754   48.890  112.754   48.890   0.0000   0.0000   88.826   22.124  ?   ?  0.000000 22.12403 
1 1 1    6    8   44 o  152.123   12.909  302.460   48.577  331.084   62.808  259.846   76.633  157.232   16.230  134.139   23.747 23.09213 28.76306 
1 1 1    6    8   45 o   36.418   16.351  -9.9517   30.939 -43.4943   44.225   22.202   43.300   37.367   17.710   51.902   21.168 -14.53519 27.59900 
1 1 1    6    8   46 o   90.278   18.923  116.464   41.297  101.629   56.559  133.403   60.438   81.046   25.240   92.507   25.392 -11.46117 35.80199 
1 1 1    6    9    0 o  181.349   12.319  414.103   55.456  407.027   78.203  421.260   78.653  178.978   17.731  182.149   17.507 -3.171234 24.91755 
1 1 1    6    9    1 o  661.099   29.653  5586.69  489.541  5619.17  692.269  5554.20  692.362  653.794   42.635  649.779   42.911 4.014832 60.49048 
1 1 1    6    9    2 o  325.628   23.848  1351.67  192.571   0.0000   0.0000  1351.67  192.571  ?   ?   325.628   23.848 0.000000 23.84791 
1 1 1    6    9    3 o  411.860   19.671  2141.13  202.319  2151.11  286.056  2131.14  286.189  409.610   28.137  407.641   28.289 1.969482 39.89917 
1 1 1    6    9    4 o  753.100   33.621  7307.16  632.292  7229.82  893.991  7384.57  894.401  735.192   48.975  743.585   48.431 -8.393677 68.87780 
1 1 1    6    9    5 o  241.805   11.084  732.521   66.928  695.854   81.817  806.685  116.360  235.028   14.004  252.313   18.599 -17.28487 23.28145 
1 1 1    6    9    6 o  300.076   12.665  1129.10   94.901  1186.66  116.244  1014.06  164.331  307.350   15.146  281.974   23.553 25.37582 28.00280 
1 1 1    6    9    7 o  294.437   12.575  1086.75   92.456  1082.78  113.169  1094.70  160.327  293.194   15.512  293.517   22.035 -0.3224487 26.94702 
1 1 1    6    9    8 o  112.634   15.844  162.394   43.332  162.394   43.332   0.0000   0.0000  112.634   15.844  ?   ?  0.000000 15.84395 
1 1 1    6    9    9 o  248.373   13.879  775.735   85.737  626.156  121.141  925.858  121.361  221.729   22.176  270.797   18.050 -49.06798 28.59322 
1 1 1    6    9   10 o  188.641   7.3101  444.760   34.436  494.525   48.811  395.448   48.589  198.835   9.8305  177.424   11.021 21.41080 14.76834 
1 1 1    6    9   11 o  676.367   20.669  5752.51  349.108  5632.44  493.587  5872.70  493.840  666.793   29.643  681.064   29.037 -14.27142 41.49502 
1 1 1    6    9   12 o  283.297   10.602  1003.79   75.006  991.444  106.087  1016.13  106.061  280.893   15.180  284.401   14.987 -3.507568 21.33195 
1 1 1    6    9   13 o  686.151   21.274  5915.78  364.517  5855.23  515.464  5976.35  515.548  680.412   30.337  687.502   30.029 -7.089661 42.68605 
1 1 1    6    9   14 o  262.483   9.8791  861.360   64.755  790.031   91.517  932.877   91.637  250.758   14.679  273.012   13.441 -22.25388 19.90315 
1 1 1    6    9   15 o  317.375   11.329  1259.74   89.785  1256.89  127.051  1262.59  126.898  316.339   16.137  317.064   16.080 -0.7249756 22.78076 
1 1 1    6    9   16 o  631.197   19.584  4998.79  308.682  5138.80  436.739  4859.03  436.345  638.495   27.391  620.706   28.151 17.78876 39.27801 
1 1 1    6    9   17 o  249.348   13.632  780.467   84.561  947.020  120.154  617.021  119.028  274.295   17.635  220.555   21.901 53.74008 28.11854 
1 1 1    6    9   18 o  456.410   21.221  2616.53  241.863  2621.22  342.284  2611.86  341.809  454.435   30.337  453.616   30.350 0.8189697 42.91180 
1 1 1    6    9   19 o  443.301   14.638  2461.11  162.048  2545.13  229.116  2377.01  229.226  450.168   20.381  434.955   21.104 15.21301 29.33909 
1 1 1    6    9   20 o  484.911   15.588  2946.96  188.754  2922.77  266.694  2971.23  267.182  481.998   22.157  486.001   22.015 -4.003265 31.23477 
1 1 1    6    9   21 o  584.469   18.077  4289.67  263.837  4496.48  373.044  4082.69  373.199  596.836   25.030  568.392   26.293 28.44366 36.30167 
1 1 1    6    9   22 o  328.756   13.344  1354.36  109.549  1264.42  133.936  1536.14  190.411  316.851   16.989  348.376   22.000 -31.52469 27.79661 
1 1 1    6    9   23 o  300.115   12.059  1128.45   90.377  1057.63  110.467  1271.81  157.169  289.844   15.317  317.060   19.952 -27.21686 25.15348 
1 1 1    6    9   24 o  237.807   19.577  718.210  115.227  718.210  115.227   0.0000   0.0000  237.807   19.577  ?   ?  0.000000 19.57738 
1 1 1    6    9   25 o  429.013   16.408  2317.95  175.780  2320.58  215.230  2312.67  304.618  428.331   20.122  423.791   28.958 4.540497 35.26236 
1 1 1    6    9   26 o  423.779   16.367  2264.63  173.205  2286.49  212.081  2220.84  300.142  424.792   19.993  414.309   29.197 10.48340 35.38617 
1 1 1    6    9   27 o  113.795   9.2574  163.326   26.078  146.641   31.654  198.579   46.010  107.392   12.009  124.637   15.090 -17.24488 19.28552 
1 1 1    6    9   28 o  439.389   16.852  2441.77  184.902  2363.79  226.331  2598.27  320.619  430.780   21.040  446.931   28.882 -16.15067 35.73283 
1 1 1    6    9   29 o  272.035   12.099  930.529   82.191  901.803  100.588  988.241  142.573  266.856   15.157  277.751   20.704 -10.89566 25.65935 
1 1 1    6    9   30 o  331.767   16.997  1397.85  140.340  1511.65  198.615  1284.37  198.328  342.531   23.359  314.692   25.456 27.83902 34.54925 
1 1 1    6    9   31 o  323.536   13.555  1319.54  109.516  1272.63  134.041  1413.73  189.938  316.429   17.026  331.155   23.113 -14.72641 28.70728 
1 1 1    6    9   32 o  476.053   18.112  2879.60  215.314  2815.83  263.662  3007.27  373.054  468.529   22.535  477.333   31.473 -8.804230 38.70926 
1 1 1    6    9   33 f  263.389   12.102  873.280   79.600  856.120   97.558  907.457  137.682  259.780   15.104  265.597   20.928 -5.816742 25.80928 
1 1 1    6    9   34 o   71.063   13.304   65.724   22.741   46.377   27.944  103.671   39.136   59.863   17.554   88.698   18.277 -28.83475 25.34124 
1 1 1    6    9   35 o   64.326   21.346   50.812   40.015   50.812   40.015   0.0000   0.0000   64.326   21.346  ?   ?  0.000000 21.34593 
1 1 1    6    9   36 o  199.728   11.252  503.938   55.893  473.151   68.920  563.091   95.531  192.785   14.420  209.180   18.478 -16.39470 23.43919 
1 1 1    6    9   37 o   93.149   12.885  111.731   29.169   77.604   36.443  172.572   48.659   76.295   19.156  114.990   17.497 -38.69484 25.94420 
1 1 1    6    9   38 o  268.007   12.660  910.116   84.732  909.963  104.549  910.409  144.641  266.478   15.781  263.290   22.206 3.188202 27.24296 
1 1 1    6    9   39 o  147.433   11.489  276.946   41.963  229.797   52.550  359.922   69.714  132.865   16.172  166.357   17.021 -33.49223 23.47876 
1 1 1    6    9   40 o  176.245   13.949  400.121   60.891  353.300   87.269  444.540   85.002  161.819   22.180  183.610   18.804 -21.79108 29.07843 
1 1 1    6    9   41 f  269.687   13.120  932.867   88.360  955.108  109.955  892.320  148.463  270.475   16.356  255.568   23.527 14.90749 28.65397 
1 1 1    6    9   42 o  238.994   12.659  736.030   75.283  760.135   93.986  692.878  125.752  240.891   15.710  224.305   22.766 16.58649 27.66040 
1 1 1    6    9   43 o   80.569   16.914   88.605   32.945   82.943   43.604   96.138   50.291   76.618   21.768   81.904   23.415 -5.285851 31.96994 
1 1 1    6    9   44 o   44.601   21.168 -61.1501   63.624 -61.1501   63.624   0.0000   0.0000   44.601   21.168  ?   ?  0.000000 21.16841 
1 1 1    6    9   45 o   59.953   19.552   48.980   33.626   46.059   47.048   52.029   48.078   61.134   22.871   63.460   23.232 -2.325626 32.60016 
1 1 1    6    9   46 o  138.347   14.497  256.148   49.339  282.667   65.447  221.234   75.095  142.240   18.893  120.258   25.781 21.98235 31.96221 
1 1 1    6   10    0 o  459.842   21.419  2665.91  245.958  2608.35  347.502  2723.70  348.174  451.475   31.011  461.619   30.373 -10.14413 43.40760 
1 1 1    6   10    1 o  242.848   13.929  741.980   84.119  717.568  118.601  766.693  119.328  237.812   20.161  245.977   19.589 -8.165405 28.11041 
1 1 1    6   10    2 o  246.222   14.054  762.945   86.053  768.296  121.587  757.573  121.807  246.115   19.955  244.345   20.142 1.770355 28.35334 
1 1 1    6   10    3 o  136.647   16.543  238.045   55.301   0.0000   0.0000  238.045   55.301  ?   ?   136.647   16.543 0.000000 16.54330 
1 1 1    6   10    4 o  577.221   37.916  4322.50  543.487   0.0000   0.0000  4322.50  543.487  ?   ?   577.221   37.916 0.000000 37.91568 
1 1 1    6   10    5 o  303.311   22.663  1169.08  170.415  1169.08  170.415   0.0000   0.0000  303.311   22.663  ?   ?  0.000000 22.66302 
1 1 1    6   10    6 o  183.498   12.315  423.786   56.105  437.761   79.207  409.714   79.484  185.816   17.267  179.597   17.964 6.219498 24.91682 
1 1 1    6   10    7 o  446.309   16.853  2502.68  187.831  2433.52  229.883  2641.59  325.791  439.353   20.953  454.946   28.826 -15.59357 35.63621 
1 1 1    6   10    8 o  447.953   16.733  2519.89  187.179  2394.37  229.017  2772.44  324.855  435.930   21.038  466.668   28.006 -30.73804 35.02717 
1 1 1    6   10    9 o  599.913   38.947  4639.61  580.299  4639.61  580.299   0.0000   0.0000  599.913   38.947  ?   ?  0.000000 38.94657 
1 1 1    6   10   10 o  217.087   10.304  589.494   55.860  665.860   68.475  437.575   96.580  230.341   11.946  185.301   21.256 45.03983 24.38285 
1 1 1    6   10   11 o  287.367   10.548  1032.90   75.697  1047.08  107.099  1018.74  107.003  288.699   14.906  284.733   15.103 3.966370 21.22039 
1 1 1    6   10   12 o  1132.40   33.904 16281.45  958.738 15888.14  1355.44 16675.25  1356.28  1108.69   48.958  1136.74   47.779 -28.05103 68.40806 
1 1 1    6   10   13 o  730.215   22.482  6704.10  409.946  6677.17  579.742  6731.03  579.761  726.180   31.970  729.144   31.841 -2.963806 45.12106 
1 1 1    6   10   14 o  391.967   13.180  1922.72  129.011  1820.18  182.377  2025.43  182.520  380.396   19.262  401.884   18.187 -21.48801 26.49132 
1 1 1    6   10   15 f  602.191   18.890  4548.65  284.068  4669.12  401.912  4428.40  401.553  608.778   26.438  592.737   27.129 16.04102 37.88030 
1 1 1    6   10   16 o  581.535   18.316  4240.67  265.978  4360.94  376.345  4120.64  375.955  588.523   25.608  571.944   26.323 16.57898 36.72394 
1 1 1    6   10   17 o  406.528   13.141  2068.11  133.401  2242.38  188.886  1894.68  188.429  422.907   17.886  388.595   19.418 34.31155 26.39972 
1 1 1    6   10   18 o  312.384   13.307  1221.32  103.801  1194.97  127.060  1274.20  179.989  308.355   16.562  317.537   22.852 -9.182007 28.22189 
1 1 1    6   10   19 o  303.781   15.885  1159.51  120.084  1045.43  169.913  1273.36  169.736  287.222   23.907  317.585   21.530 -30.36258 32.17236 
1 1 1    6   10   20 o  558.554   25.212  3933.97  351.667  3795.52  497.308  4072.45  497.356  544.471   36.792  564.556   35.459 -20.08508 51.09776 
1 1 1    6   10   21 o  344.847   11.658  1488.37  100.389  1392.02  141.454  1586.14  142.496  332.612   17.088  355.614   16.046 -23.00256 23.44110 
1 1 1    6   10   22 o  163.383   9.6558  335.093   39.221  306.443   47.885  393.483   68.362  155.931   12.400  176.397   15.683 -20.46561 19.99279 
1 1 1    6   10   23 o  290.550   12.117  1057.69   87.918  1020.22  107.543  1133.19  152.661  284.681   15.183  299.093   20.564 -14.41214 25.56181 
1 1 1    6   10   24 o  714.215   25.700  6483.73  458.367  6426.75  561.271  6597.82  794.233  707.782   31.756  706.263   45.271 1.518799 55.29852 
1 1 1    6   10   25 o  328.904   13.443  1358.45  110.411  1266.71  135.035  1543.49  191.780  316.589   17.144  348.215   22.170 -31.62601 28.02580 
1 1 1    6   10   26 o  387.056   27.129  1929.46  260.557  1929.46  260.557   0.0000   0.0000  387.056   27.129  ?   ?  0.000000 27.12892 
1 1 1    6   10   27 f  676.297   24.697  5854.20  417.093  5780.73  510.724  6001.33  722.736  667.651   30.633  666.522   43.664 1.129028 53.33757 
1 1 1    6   10   28 o  424.306   16.390  2275.09  173.668  2213.19  212.595  2399.25  301.095  417.125   20.410  429.906   28.203 -12.78143 34.81317 
1 1 1    6   10   29 o  439.565   30.473  2529.66  332.427   0.0000   0.0000  2529.66  332.427  ?   ?   439.565   30.473 0.000000 30.47267 
1 1 1    6   10   30 o  296.365   15.813  1113.39  116.603  1113.39  116.603   0.0000   0.0000  296.365   15.813  ?   ?  0.000000 15.81267 
1 1 1    6   10   31 o  171.159   12.422  370.590   52.733  321.694   74.374  420.022   74.779  157.905   19.261  181.373   16.698 -23.46829 25.49096 
1 1 1    6   10   32 o  485.431   18.521  2995.88  224.515  2990.44  275.129  3006.71  388.436  482.754   22.822  476.302   32.859 6.451874 40.00692 
1 1 1    6   10   33 o  548.391   20.480  3841.53  280.460  3836.35  343.637  3851.86  485.358  544.832   25.257  535.152   36.537 9.679199 44.41751 
1 1 1    6   10   34 o  237.693   11.593  710.881   68.810  703.463   84.469  725.514  118.637  235.528   14.431  237.485   20.196 -1.957336 24.82254 
1 1 1    6   10   35 o  119.799   10.817  181.908   32.012  137.732   39.383  267.930   54.956  103.116   15.798  144.655   15.453 -41.53929 22.09863 
1 1 1    6   10   36 o  226.655   20.864  664.923  116.767  664.923  116.767   0.0000   0.0000  226.655   20.864  ?   ?  0.000000 20.86447 
1 1 1    6   10   37 o  218.451   11.663  603.541   63.395  577.247   78.037  654.572  108.715  212.802   14.777  225.007   19.542 -12.20493 24.50006 
1 1 1    6   10   38 o   98.597   12.710  125.038   30.565   77.842   38.551  204.916   50.154   76.247   19.999  125.661   16.372 -49.41335 25.84570 
1 1 1    6   10   39 o  231.210   12.152  679.565   69.917  601.652   86.573  825.687  118.559  216.025   16.165  251.812   18.994 -35.78725 24.94177 
1 1 1    6   10   40 o  165.852   11.544  350.779   47.515  330.006   59.477  387.420   78.994  159.661   15.097  171.533   18.747 -11.87192 24.06972 
1 1 1    6   10   41 o   77.045   17.948   80.555   33.890 -13.2107   49.794  161.471   46.257   47.028   20.956  110.092   17.404 -63.06405 27.24024 
1 1 1    6   10   42 o  286.932   13.646  1061.45   97.778  1051.50  121.394  1079.82  164.985  282.457   17.294  279.783   23.842 2.673737 29.45337 
1 1 1    6   10   43 o   37.417   16.019   1.1348   26.672   28.712   36.793 -29.4049   38.720   52.633   20.104   37.213   17.292 15.41964 26.51754 
1 1 1    6   10   44 o  108.364   14.705  155.911   38.766  140.535   51.062  176.830   59.560   99.793   21.147  111.688   22.137 -11.89553 30.61465 
1 1 1    6   10   45 o   82.488   18.276   94.962   36.655   83.679   49.271  108.949   54.855   76.002   23.539   85.782   24.430 -9.780258 33.92498 
1 1 1    6   10   46 o  104.243   33.676  187.633   99.883  187.633   99.883   0.0000   0.0000  104.243   33.676  ?   ?  0.000000 33.67590 
1 1 1    6   11    0 o  421.730   19.936  2236.37  209.954  2180.47  296.420  2292.65  297.423  413.882   28.861  424.622   28.210 -10.73975 40.35759 
1 1 1    6   11    1 o  205.574   12.963  531.408   66.208  556.069   93.380  506.478   93.886  209.639   18.012  199.839   19.044 9.800720 26.21288 
1 1 1    6   11    2 o  322.015   16.467  1304.90  131.972  1407.19  186.773  1202.91  186.500  333.318   22.572  307.658   24.478 25.66028 33.29641 
1 1 1    6   11    3 o  201.906   18.389  516.630   91.698   0.0000   0.0000  516.630   91.698  ?   ?   201.906   18.389 0.000000 18.38856 
1 1 1    6   11    5 o  748.343   33.125  7149.07  619.020  7334.08  875.578  6964.20  875.276  748.365   47.092  728.231   48.407 20.13446 67.53452 
1 1 1    6   11    6 o  499.084   22.947  3142.73  285.993  3183.79  404.336  3101.63  404.576  498.690   32.649  492.011   33.121 6.678772 46.50764 
1 1 1    6   11    7 o  569.384   25.706  4098.88  365.497  4172.79  516.883  4024.96  516.900  569.826   36.517  559.294   37.222 10.53217 52.14368 
1 1 1    6   11    8 o  327.370   12.089  1341.67   98.827  1213.03  120.747  1602.69  172.004  311.013   15.547  356.547   19.391 -45.53412 24.85426 
1 1 1    6   11    9 o  659.217   23.734  5477.86  390.706  5387.95  478.331  5658.10  677.243  652.145   29.372  662.554   41.136 -10.40857 50.54604 
1 1 1    6   11   10 o  223.695   18.988  632.835  105.066  632.835  105.066   0.0000   0.0000  223.695   18.988  ?   ?  0.000000 18.98791 
1 1 1    6   11   11 o  501.436   17.598  3154.08  220.365  2902.23  269.523  3661.92  382.728  480.298   22.472  537.519   28.616 -57.22095 36.38490 
1 1 1    6   11   12 o  857.402   30.179  9297.70  646.167  9449.94  791.542  8993.59  1118.76  861.723   36.784  829.951   54.279 31.77191 65.56892 
1 1 1    6   11   13 o  527.443   19.439  3491.37  256.033  3511.09  313.565  3451.93  443.489  528.263   23.770  520.576   34.308 7.686523 41.73743 
1 1 1    6   11   14 o  536.551   16.953  3608.16  227.145  3484.04  321.097  3732.48  321.367  526.172   24.438  544.749   23.624 -18.57635 33.98954 
1 1 1    6   11   15 o  542.498   17.105  3688.58  231.724  3827.62  327.905  3549.88  327.508  551.655   23.803  531.116   24.693 20.53870 34.29790 
1 1 1    6   11   16 o  216.000   9.2080  583.184   49.667  556.047   70.340  610.167   70.140  210.357   13.461  220.459   12.796 -10.10234 18.57222 
1 1 1    6   11   17 o  1120.56   33.606 15911.43  940.377 15979.17  1330.06 15843.73  1329.72  1114.63   47.785  1109.76   47.982 4.867798 67.71792 
1 1 1    6   11   18 o  909.367   26.376 10423.47  598.955 10783.77  847.596 10064.09  846.506  920.822   36.861  888.996   38.131 31.82599 53.03475 
1 1 1    6   11   19 o  742.250   22.410  6929.13  415.384  6982.69  587.485  6875.58  587.399  742.431   31.688  736.633   31.932 5.798035 44.98651 
1 1 1    6   11   20 o  649.364   20.093  5298.68  325.827  5080.30  460.449  5517.70  461.128  633.634   29.100  660.687   27.950 -27.05304 40.34833 
1 1 1    6   11   21 o  167.931   9.7024  353.880   40.514  352.574   49.595  356.502   70.243  167.405   11.942  167.693   17.009 -0.2871399 20.78294 
1 1 1    6   11   22 o  563.604   25.377  4018.57  357.168  4186.90  505.620  3850.92  504.605  570.650   35.660  546.492   37.197 24.15826 51.52949 
1 1 1    6   11   23 o  341.357   13.939  1461.59  118.824  1415.66  145.430  1553.82  206.089  335.075   17.441  349.674   23.742 -14.59988 29.45971 
1 1 1    6   11   24 o  382.753   14.776  1840.09  141.232  1824.56  172.941  1871.19  244.712  380.552   18.198  382.855   25.746 -2.303101 31.52799 
1 1 1    6   11   25 o  427.055   16.433  2296.61  175.242  2231.28  214.518  2427.67  303.836  419.959   20.455  434.685   28.142 -14.72565 34.79043 
1 1 1    6   11   26 o  453.534   17.233  2596.01  195.171  2484.16  238.881  2820.57  338.481  442.299   21.628  467.298   29.152 -24.99933 36.29847 
1 1 1    6   11   27 o  269.502   11.767  912.002   79.189  799.729   96.773  1139.55  137.770  251.388   15.491  299.464   18.514 -48.07581 24.13984 
1 1 1    6   11   28 o  231.141   19.610  683.122  112.122  683.122  112.122   0.0000   0.0000  231.141   19.610  ?   ?  0.000000 19.61009 
1 1 1    6   11   29 o  289.139   12.473  1051.53   90.056  998.028  110.219  1158.99  156.199  280.641   15.791  300.886   20.919 -20.24506 26.20996 
1 1 1    6   11   30 o  144.970   9.7323  264.810   35.028  266.403   42.905  261.624   60.658  145.075   11.949  142.683   17.384 2.392502 21.09440 
1 1 1    6   11   31 o  535.643   19.993  3655.93  267.421  3672.33  327.600  3623.19  462.970  534.113   24.562  520.807   35.816 13.30603 43.42859 
1 1 1    6   11   32 o  411.002   16.126  2138.08  165.505  2054.32  202.710  2305.56  286.639  400.802   20.320  420.654   27.437 -19.85269 34.14236 
1 1 1    6   11   33 o  682.157   31.227  6118.29  531.950  6420.27  752.865  5817.23  751.719  680.282   44.564  643.740   47.089 36.54138 64.83298 
1 1 1    6   11   34 o  234.465   11.463  691.513   67.114  678.928   82.520  716.102  115.351  231.409   14.351  236.119   19.744 -4.710266 24.40868 
1 1 1    6   11   35 o  215.738   11.324  587.157   60.792  491.984   74.728  773.397  104.535  196.551   15.347  246.173   17.111 -49.62172 22.98502 
1 1 1    6   11   36 o  422.358   16.549  2266.62  174.539  2348.20  214.303  2105.88  300.805  428.163   20.043  397.971   30.500 30.19183 36.49643 
1 1 1    6   11   37 o  325.851   13.896  1344.19  113.076  1380.46  139.249  1273.96  193.754  328.680   17.024  311.548   25.118 17.13174 30.34336 
1 1 1    6   11   38 o  116.853   22.643  183.159   63.685  183.159   63.685   0.0000   0.0000  116.853   22.643  ?   ?  0.000000 22.64251 
1 1 1    6   11   39 o  128.870   11.548  211.729   36.767  192.004   46.190  245.843   60.742  121.629   15.565  136.994   18.207 -15.36514 23.95294 
1 1 1    6   11   40 o  257.851   12.531  845.700   80.687  881.329  100.057  779.443  136.445  261.599   15.384  241.539   22.895 20.06052 27.58350 
1 1 1    6   11   41 o   89.233   14.315  104.636   30.820   96.827   39.912  116.169   48.506   84.291   19.368   91.792   21.533 -7.501259 28.96193 
1 1 1    6   11   42 o  197.224   12.161  499.413   59.602  471.134   74.771  548.697   98.708  189.682   15.933  202.336   19.789 -12.65413 25.40613 
1 1 1    6   11   43 o  173.120   14.128  390.678   60.543  449.469   87.843  337.480   83.559  182.368   19.596  156.251   22.026 26.11731 29.48168 
1 1 1    6   11   44 o  238.122   12.736  734.035   75.458  791.987   95.200  636.096  123.760  245.199   15.629  212.615   23.714 32.58452 28.40081 
1 1 1    6   11   45 f  155.257   13.132  315.144   50.437  324.747   65.676  301.337   78.746  155.175   17.240  145.929   22.318 9.245895 28.20177 
1 1 1    6   11   46 o   56.954   19.913   42.255   34.896   51.657   48.281   31.970   50.496   63.223   23.260   57.352   23.050 5.871582 32.74612 
1 1 1    6   12    0 o  869.732   38.190  9666.44  829.448  9910.28  1172.84  9422.47  1173.19  869.059   54.315  846.169   55.835 22.88965 77.89572 
1 1 1    6   12    1 o  466.160   21.653  2734.33  252.064  2720.30  356.169  2748.42  356.775  462.096   31.046  464.522   30.933 -2.425446 43.82600 
1 1 1    6   12    2 o  438.490   20.485  2417.82  224.314  2309.72  316.654  2526.71  317.804  425.859   29.967  445.857   28.696 -19.99753 41.49101 
1 1 1    6   12    3 o  530.199   24.150  3545.40  319.742  3567.99  451.948  3522.77  452.418  528.104   34.459  524.635   34.729 3.469177 48.92396 
1 1 1    6   12    4 o  589.831   26.523  4397.16  390.668  4462.69  552.343  4331.56  552.633  589.458   37.721  580.431   38.343 9.027649 53.78769 
1 1 1    6   12    5 o  464.218   31.077  2747.59  358.174   0.0000   0.0000  2747.59  358.174  ?   ?   464.218   31.077 0.000000 31.07682 
1 1 1    6   12    6 o   75.373   11.630   72.756   21.185   82.815   29.601   62.193   30.333   79.944   15.386   69.073   17.550 10.87109 23.33982 
1 1 1    6   12    7 o  463.860   21.557  2707.62  249.709  2786.78  353.065  2628.40  353.220  467.862   30.384  454.035   31.345 13.82709 43.65445 
1 1 1    6   12    8 o  610.274   27.308  4706.96  416.170  4739.69  588.420  4674.21  588.686  607.444   38.997  603.084   39.304 4.359253 55.36748 
1 1 1    6   12    9 o  479.402   22.134  2891.64  264.976  2940.19  374.619  2843.03  374.847  480.587   31.388  472.378   31.965 8.209290 44.79911 
1 1 1    6   12   10 o  542.821   35.383  3763.33  477.003  3763.33  477.003   0.0000   0.0000  542.821   35.383  ?   ?  0.000000 35.38305 
1 1 1    6   12   11 o  580.755   37.559  4313.59  541.779  4313.59  541.779   0.0000   0.0000  580.755   37.559  ?   ?  0.000000 37.55869 
1 1 1    6   12   12 o  409.376   15.720  2099.68  160.700  2043.97  196.663  2211.63  278.776  403.536   19.516  417.944   26.853 -14.40796 33.19564 
1 1 1    6   12   13 o  552.401   20.262  3831.11  279.502  3933.20  342.391  3627.20  483.907  558.997   24.528  533.013   36.577 25.98413 44.03986 
1 1 1    6   12   14 o  293.060   12.509  1074.55   91.544  1135.31  112.121  953.051  158.551  301.101   14.912  274.319   23.368 26.78210 27.72049 
1 1 1    6   12   15 o  347.193   13.794  1508.84  119.597  1600.12  146.538  1326.74  206.971  357.356   16.421  323.558   25.831 33.79742 30.60864 
1 1 1    6   12   16 o  682.147   21.111  5844.13  359.610  5835.51  508.601  5852.75  508.531  679.633   29.968  680.648   29.919 -1.015930 42.34609 
1 1 1    6   12   17 o  675.232   20.783  5725.94  350.432  5621.24  495.540  5830.67  495.632  667.008   29.751  679.464   29.211 -12.45587 41.69372 
1 1 1    6   12   18 o  705.389   20.423  6249.05  359.753  6594.19  509.214  5905.11  508.321  722.698   28.216  683.464   29.783 39.23346 41.02650 
1 1 1    6   12   19 o  241.496   9.8840  729.250   59.607  658.228   84.078  801.014   84.516  228.755   14.798  252.588   13.448 -23.83257 19.99524 
1 1 1    6   12   20 f  309.323   10.928  1197.00   84.412  1144.41  119.144  1250.00  119.610  301.714   15.869  315.812   15.167 -14.09885 21.95131 
1 1 1    6   12   21 o  245.526   11.290  754.459   69.220  710.262   84.727  843.163  120.033  237.626   14.345  258.363   18.732 -20.73683 23.59386 
1 1 1    6   12   22 o  213.020   11.162  569.610   59.170  519.657   72.414  669.966  102.639  203.066   14.373  230.170   18.000 -27.10432 23.03486 
1 1 1    6   12   23 o  247.541   11.229  767.414   69.415  744.292   85.023  813.634  120.209  243.173   14.061  253.456   19.134 -10.28235 23.74478 
1 1 1    6   12   24 o  171.348   12.085  369.878   51.379  393.518   73.656  347.473   71.704  176.035   16.966  165.194   17.656 10.84084 24.48563 
1 1 1    6   12   25 o  750.769   27.098  7202.96  508.030  7190.37  622.202  7228.16  879.946  745.674   33.414  732.708   48.364 12.96576 58.78440 
1 1 1    6   12   26 o  582.072   21.314  4300.55  309.806  4362.12  379.537  4177.62  536.309  583.885   26.030  562.366   38.420 21.51910 46.40722 
1 1 1    6   12   27 o  220.307   10.792  608.898   59.373  579.090   72.712  668.537  102.851  214.116   13.670  229.173   18.120 -15.05702 22.69804 
1 1 1    6   12   28 o  333.725   24.460  1434.66  202.426   0.0000   0.0000  1434.66  202.426  ?   ?   333.725   24.460 0.000000 24.46037 
1 1 1    6   12   29 o  345.972   17.443  1519.68  150.216  1519.68  150.216   0.0000   0.0000  345.972   17.443  ?   ?  0.000000 17.44312 
1 1 1    6   12   30 o  357.026   25.867  1651.78  229.052  1651.78  229.052   0.0000   0.0000  357.026   25.867  ?   ?  0.000000 25.86657 
1 1 1    6   12   31 o  657.706   24.204  5562.92  397.529  5380.82  486.737  5927.71  688.918  641.502   30.384  658.836   42.093 -17.33386 51.91383 
1 1 1    6   12   32 o  175.789   10.310  389.300   45.062  378.711   55.379  410.051   77.523  172.933   12.917  178.959   17.574 -6.026062 21.81022 
1 1 1    6   12   33 o  352.119   14.423  1565.49  126.824  1454.97  155.314  1786.64  219.702  337.786   18.483  371.952   23.778 -34.16583 30.11661 
1 1 1    6   12   34 o  283.370   12.674  1011.65   89.683  1027.58  110.256  980.489  154.176  284.538   15.576  275.455   22.613 9.083252 27.45884 
1 1 1    6   12   35 o  563.026   25.961  4115.44  365.007  4411.36  516.848  3821.00  515.552  571.577   36.400  528.510   39.345 43.06653 53.60044 
1 1 1    6   12   36 o  440.990   17.279  2474.00  190.280  2419.06  233.374  2582.96  328.650  433.844   21.541  441.606   29.980 -7.762360 36.91620 
1 1 1    6   12   37 o   85.461   12.921   94.257   26.714   81.733   34.059  114.282   43.066   78.537   17.780   92.860   19.206 -14.32288 26.17233 
1 1 1    6   12   38 o  179.378   11.176  407.333   49.812  402.811   62.167  415.445   83.257  177.650   14.130  178.926   18.921 -1.276215 23.61457 
1 1 1    6   12   39 o  225.886   11.838  647.360   66.546  654.660   82.781  634.025  111.882  226.182   14.737  220.056   20.600 6.125229 25.32808 
1 1 1    6   12   40 o  227.227   22.665  688.006  126.894  688.006  126.894   0.0000   0.0000  227.227   22.665  ?   ?  0.000000 22.66542 
1 1 1    6   12   41 o  174.735   11.693  389.964   50.727  375.188   63.819  415.316   83.596  170.079   15.186  177.098   19.211 -7.019089 24.48788 
1 1 1    6   12   42 o  164.777   11.854  348.326   48.450  314.775   61.385  403.763   78.905  154.851   16.110  174.335   18.403 -19.48459 24.45815 
1 1 1    6   12   43 f  131.628   12.726  224.635   41.310  208.324   53.392  248.961   65.204  124.638   17.648  135.251   19.900 -10.61356 26.59813 
1 1 1    6   12   44 o   91.428   15.892  112.395   34.967  102.348   46.613  125.326   52.879   84.930   21.852   93.652   22.820 -8.721886 31.59549 
1 1 1    6   12   45 o  217.442   15.152  623.595   81.759  626.034  117.285  621.290  114.033  211.241   22.584  211.054   21.958 0.1872864 31.49868 
1 1 1    6   12   46 o  178.714   13.392  419.145   59.330  410.290   77.649  431.568   91.968  173.329   18.212  174.972   21.501 -1.643936 28.17725 
1 1 1    6   13    0 o  175.408   12.139  386.860   52.845  352.199   73.568  423.809   75.958  166.587   17.969  183.080   16.802 -16.49333 24.60049 
1 1 1    6   13    1 o  474.198   31.543  2862.89  371.387  2862.89  371.387   0.0000   0.0000  474.198   31.543  ?   ?  0.000000 31.54287 
1 1 1    6   13    2 o  459.612   30.805  2688.21  351.517   0.0000   0.0000  2688.21  351.517  ?   ?   459.612   30.805 0.000000 30.80522 
1 1 1    6   13    3 o  259.532   20.588  851.863  132.338  851.863  132.338   0.0000   0.0000  259.532   20.588  ?   ?  0.000000 20.58833 
1 1 1    6   13    4 o  478.368   22.120  2879.48  264.239  3069.57  373.665  2689.33  373.715  491.267   30.611  459.072   32.816 32.19458 44.87655 
1 1 1    6   13    5 o  538.075   24.405  3649.28  327.929  3864.66  463.830  3434.02  463.694  550.340   33.915  517.914   36.078 32.42578 49.51659 
1 1 1    6   13    6 o  195.854   18.156  485.501   87.787   0.0000   0.0000  485.501   87.787  ?   ?   195.854   18.156 0.000000 18.15570 
1 1 1    6   13    7 o  496.323   22.791  3100.59  282.468  3238.03  399.440  2963.11  399.500  504.317   31.881  481.890   33.405 22.42755 46.17684 
1 1 1    6   13    8 o  439.039   20.613  2422.32  225.991  2560.28  319.527  2284.23  319.672  449.151   28.637  423.698   30.416 25.45346 41.77571 
1 1 1    6   13    9 o  523.961   23.846  3456.76  312.001  3461.33  440.940  3452.19  441.532  520.985   34.080  520.264   34.175 0.7210693 48.26398 
1 1 1    6   13   10 o  1020.07   44.562 13365.35  1135.13 13166.96  1604.76 13564.01  1605.86  995.281   64.923  1011.16   63.927 -15.87463 91.11328 
1 1 1    6   13   11 o  524.980   34.313  3512.08  447.357  3512.08  447.357   0.0000   0.0000  524.980   34.313  ?   ?  0.000000 34.31278 
1 1 1    6   13   12 o  692.979   24.705  6046.20  427.520  6313.30  523.801  5513.22  739.926  706.822   29.676  653.777   45.608 53.04443 54.41249 
1 1 1    6   13   13 o  198.086   10.308  491.951   50.814  521.284   62.128  432.675   88.317  203.754   12.268  184.678   19.442 19.07590 22.98918 
1 1 1    6   13   14 o  234.500   10.831  687.679   63.428  668.882   77.519  725.758  110.331  230.780   13.510  239.833   18.567 -9.053040 22.96172 
1 1 1    6   13   15 o  961.391   33.707 11715.32  809.218 11512.38  990.819 12121.85  1402.36  949.223   41.800  961.934   58.660 -12.71057 72.02966 
1 1 1    6   13   16 o  698.285   25.039  6139.77  436.608  6129.70  534.693  6159.92  756.343  696.225   30.754  692.103   43.990 4.122009 53.67474 
1 1 1    6   13   17 f  500.301   18.617  3140.30  232.589  3111.53  284.859  3197.84  402.863  497.387   22.934  501.446   32.345 -4.059235 39.65059 
1 1 1    6   13   18 o  404.296   18.990  2051.60  191.723  2244.60  271.355  1859.21  270.921  421.164   25.927  382.590   28.563 38.57440 38.57510 
1 1 1    6   13   19 o  1006.34   44.002 13025.85  1105.78 13403.06  1564.24 12649.05  1563.39  1004.20   62.691  973.574   64.674 30.62720 90.07150 
1 1 1    6   13   20 o  494.599   32.618  3122.66  400.611  3122.66  400.611   0.0000   0.0000  494.599   32.618  ?   ?  0.000000 32.61850 
1 1 1    6   13   21 o  449.552   16.768  2537.03  188.241  2646.61  230.689  2318.66  325.640  458.612   20.143  426.002   30.819 32.60956 36.81799 
1 1 1    6   13   22 o  119.520   9.2358  179.755   27.351  145.330   33.563  247.816   47.193  106.937   12.824  139.937   13.680 -32.99952 18.75108 
1 1 1    6   13   23 o  110.573   9.3454  154.075   25.563  150.199   31.484  161.575   43.793  108.863   11.768  112.280   16.078 -3.417038 19.92471 
1 1 1    6   13   24 o  103.951   9.0603  136.258   23.284  129.635   28.722  148.956   39.769  101.047   11.592  107.833   15.190 -6.785820 19.10766 
1 1 1    6   13   25 o  531.114   19.586  3566.14  259.763  3441.77  318.059  3815.28  450.159  519.960   24.496  542.073   33.418 -22.11365 41.43418 
1 1 1    6   13   26 o  221.550   13.329  619.081   73.398  641.486  104.574  597.327  103.043  224.435   18.833  216.419   19.268 8.016342 26.94323 
1 1 1    6   13   27 o  250.644   11.500  788.677   71.976  755.520   88.262  854.497  124.356  244.505   14.521  258.915   19.374 -14.40953 24.21167 
1 1 1    6   13   28 o  598.947   22.052  4576.79  329.828  4410.17  403.851  4910.57  571.574  584.370   27.675  606.933   37.902 -22.56335 46.93005 
1 1 1    6   13   29 o  142.647   9.7537  256.386   34.536  215.799   42.532  334.944   59.172  130.268   13.259  162.302   14.761 -32.03336 19.84175 
1 1 1    6   13   30 f  281.684   12.426  998.262   87.408  981.474  107.271  1031.43  150.784  278.305   15.497  283.453   21.461 -5.147644 26.47130 
1 1 1    6   13   31 o  267.529   21.585  920.380  142.974  920.380  142.974   0.0000   0.0000  267.529   21.585  ?   ?  0.000000 21.58485 
1 1 1    6   13   32 o  173.689   12.591  381.742   54.241  414.560   78.077  351.128   75.410  179.944   17.601  165.220   18.601 14.72363 25.60829 
1 1 1    6   13   33 o  260.592   12.130  854.607   78.939  832.967   97.045  896.927  135.710  256.257   15.234  264.227   20.734 -7.969604 25.72882 
1 1 1    6   13   34 o  335.427   14.103  1420.40  118.130  1351.06  144.995  1557.30  203.721  325.581   17.903  347.057   23.647 -21.47632 29.65958 
1 1 1    6   13   35 o  694.124   25.682  6248.22  445.168  6348.18  545.649  6049.24  769.833  693.155   31.523  653.116   47.527 40.03955 57.03142 
1 1 1    6   13   36 o  213.561   11.407  575.685   60.616  562.785   74.907  600.158  103.172  210.489   14.336  215.931   19.338 -5.442230 24.07277 
1 1 1    6   13   37 o  136.482   12.884  237.254   43.392  199.201   61.820  274.209   60.922  122.918   20.888  145.809   17.054 -22.89024 26.96529 
1 1 1    6   13   38 o  242.577   11.931  742.968   72.274  780.802   89.602  672.513  122.273  247.601   14.556  226.919   21.848 20.68188 26.25255 
1 1 1    6   13   39 o  206.927   11.480  542.803   59.087  543.191   73.843  542.112   98.517  206.106   14.438  203.915   19.588 2.190872 24.33425 
1 1 1    6   13   40 o  137.656   11.627  241.766   39.593  220.422   50.426  276.074   63.932  130.195   15.836  145.118   18.030 -14.92377 23.99750 
1 1 1    6   13   41 o   89.228   14.074  104.269   30.321  113.431   39.991   91.882   46.502   91.929   18.065   81.760   22.203 10.16901 28.62361 
1 1 1    6   13   42 o  189.990   24.054  496.661  111.567  496.661  111.567   0.0000   0.0000  189.990   24.054  ?   ?  0.000000 24.05433 
1 1 1    6   13   43 o  125.659   12.739  204.736   39.422  239.145   52.088  158.601   60.316  134.639   15.792  105.915   23.426 28.72389 28.25198 
1 1 1    6   13   44 o  249.699   13.074  806.848   81.238  808.866  102.384  803.417  133.480  247.323   16.675  241.192   22.418 6.130554 27.93961 
1 1 1    6   13   45 o  187.696   12.616  457.072   58.789  523.973   76.155  358.403   92.485  199.206   15.429  158.477   24.132 40.72963 28.64276 
1 1 1    6   13   46 o  134.404   22.749  258.720   73.629   0.0000   0.0000  258.720   73.629  ?   ?   134.404   22.749 0.000000 22.74904 
1 1 1    6   14    0 f  420.974   19.790  2225.99  208.043  2111.76  293.422  2341.47  295.018  407.650   29.013  429.684   27.641 -22.03430 40.07271 
1 1 1    6   14    1 o  354.967   25.303  1596.39  222.825   0.0000   0.0000  1596.39  222.825  ?   ?   354.967   25.303 0.000000 25.30337 
1 1 1    6   14    2 o  601.265   38.845  4635.18  580.126  4635.18  580.126   0.0000   0.0000  601.265   38.845  ?   ?  0.000000 38.84490 
1 1 1    6   14    3 o  220.555   13.508  611.326   74.040  675.298  104.271  546.271  105.151  231.274   18.202  207.504   20.563 23.77046 27.46182 
1 1 1    6   14    4 o  214.217   13.266  576.680   70.618  606.778   99.344  545.936  100.403  219.137   18.322  207.593   19.600 11.54375 26.83021 
1 1 1    6   14    5 o  605.839   26.941  4633.04  407.584  4418.81  575.664  4848.39  577.160  586.790   39.516  615.484   37.734 -28.69373 54.63834 
1 1 1    6   14    6 o  509.031   23.221  3261.42  295.175  3193.55  416.928  3329.63  417.956  500.462   33.555  511.257   32.912 -10.79529 47.00162 
1 1 1    6   14    7 o  560.230   36.445  4011.80  507.097   0.0000   0.0000  4011.80  507.097  ?   ?   560.230   36.445 0.000000 36.44547 
1 1 1    6   14    8 o  303.239   15.686  1155.31  118.374  1098.45  166.846  1212.95  167.973  294.616   22.857  309.847   21.849 -15.23129 31.62006 
1 1 1    6   14    9 o  324.341   16.404  1321.91  132.434  1266.83  186.697  1377.70  187.888  316.365   23.806  330.147   22.932 -13.78235 33.05491 
1 1 1    6   14   10 o  213.686   13.230  573.718   70.249  619.146   98.887  527.434   99.815  221.448   18.039  204.012   19.843 17.43512 26.81725 
1 1 1    6   14   11 o  1310.07   57.587 22421.54  1883.95 21703.58  2662.88 23141.04  2665.73  1253.86   85.557  1299.02   82.607 -45.15625 118.9277 
1 1 1    6   14   12 o  1017.06   65.198 13715.49  1647.17 13715.49  1647.17   0.0000   0.0000  1017.06   65.198  ?   ?  0.000000 65.19804 
1 1 1    6   14   13 o  936.654   32.909 11116.13  769.748 11586.56  943.145 10177.66  1332.12  953.149   39.625  878.945   61.071 74.20496 72.79962 
1 1 1    6   14   14 f  614.337   22.125  4743.77  339.420  4610.03  415.426  5012.32  588.680  604.520   27.519  626.441   37.808 -21.92035 46.76292 
1 1 1    6   14   15 o  271.009   11.870  918.815   80.331  950.174   98.228  855.491  139.585  275.101   14.348  260.030   21.694 15.07101 26.01000 
1 1 1    6   14   16 o  465.710   17.177  2719.23  199.768  2559.24  244.368  3041.56  346.849  451.249   21.686  489.979   28.470 -38.72986 35.78862 
1 1 1    6   14   17 o  390.136   18.624  1910.01  181.441  1839.55  256.339  1980.75  256.854  380.873   27.129  395.495   26.155 -14.62222 37.68370 
1 1 1    6   14   18 o  328.546   16.545  1356.79  135.303  1356.79  135.303   0.0000   0.0000  328.546   16.545  ?   ?  0.000000 16.54453 
1 1 1    6   14   23 o  315.664   23.148  1267.91  181.200  1267.91  181.200   0.0000   0.0000  315.664   23.148  ?   ?  0.000000 23.14845 
1 1 1    6   14   24 o  114.391   9.1938  164.841   26.041  136.623   32.127  218.893   44.465  103.596   12.684  131.332   13.762 -27.73576 18.71569 
1 1 1    6   14   25 o  285.469   12.446  1022.82   88.722  936.900  108.705  1194.24  153.548  272.285   16.058  306.537   20.172 -34.25253 25.78313 
1 1 1    6   14   26 o  189.976   10.245  453.722   48.422  439.641   59.543  481.217   83.205  186.627   12.855  194.472   17.314 -7.844772 21.56464 
1 1 1    6   14   27 o  113.879   16.164  166.845   44.676   0.0000   0.0000  166.845   44.676  ?   ?   113.879   16.164 0.000000 16.16397 
1 1 1    6   14   28 o  105.356   17.641  144.187   44.771  144.187   44.771   0.0000   0.0000  105.356   17.641  ?   ?  0.000000 17.64082 
1 1 1    6   14   29 o  295.409   12.805  1098.12   94.459  995.317  115.785  1302.70  163.338  280.023   16.633  319.168   20.603 -39.14560 26.47918 
1 1 1    6   14   30 o  195.645   10.726  482.070   52.204  391.794   64.183  658.543   89.737  175.591   14.775  227.704   15.881 -52.11340 21.69103 
1 1 1    6   14   31 o   85.378   10.453   92.869   21.820   82.339   27.703  110.079   35.416   79.581   14.473   92.017   15.993 -12.43533 21.56997 
1 1 1    6   14   32 o  440.280   17.140  2457.65  188.443  2355.18  230.943  2661.81  325.975  428.568   21.649  450.998   29.099 -22.42999 36.26929 
1 1 1    6   14   33 o  495.685   34.339  3274.76  422.434  3274.76  422.434   0.0000   0.0000  495.685   34.339  ?   ?  0.000000 34.33889 
1 1 1    6   14   34 o  326.358   13.681  1343.74  111.495  1319.36  137.109  1391.33  191.570  322.016   17.112  328.018   23.544 -6.002258 29.10543 
1 1 1    6   14   35 o  672.682   24.991  5855.88  419.805  5872.72  514.549  5822.36  726.011  667.505   30.869  644.131   45.427 23.37372 54.92239 
1 1 1    6   14   36 o  193.150   11.060  470.844   53.125  458.523   66.361  492.830   88.647  189.964   14.090  195.837   18.340 -5.872849 23.12755 
1 1 1    6   14   37 o  213.945   11.732  578.556   62.443  570.598   77.742  593.024  104.822  211.706   14.798  214.246   19.817 -2.540482 24.73260 
1 1 1    6   14   38 f  374.088   18.620  1794.31  173.940  1915.12  246.569  1674.63  245.411  380.967   26.075  354.747   27.929 26.22034 38.20867 
1 1 1    6   14   39 o  114.709   13.534  169.227   38.022  125.365   54.705  210.216   52.884   96.070   23.089  127.020   17.107 -30.95066 28.73641 
1 1 1    6   14   40 o  171.771   11.269  374.990   48.071  408.300   60.920  320.026   78.256  178.513   13.772  155.374   20.683 23.13869 24.84877 
1 1 1    6   14   41 o  145.081   11.407  268.754   40.994  293.002   52.945  232.457   64.777  150.621   14.245  131.702   20.352 18.91969 24.84245 
1 1 1    6   14   42 o   60.617   16.755   49.331   26.208   85.555   36.170   9.2893   38.028   79.248   18.597   46.871   19.545 32.37664 26.97909 
1 1 1    6   14   43 o   79.483   29.256   82.098   76.392   82.098   76.392   0.0000   0.0000   79.483   29.256  ?   ?  0.000000 29.25559 
1 1 1    6   14   44 o   90.961   15.421  110.620   33.776  125.695   46.275   93.433   49.412   95.160   20.104   81.083   23.219 14.07648 30.71259 
1 1 1    6   14   45 o  132.401   13.388  229.288   43.656  202.273   58.429  263.429   65.683  120.984   20.041  138.702   19.502 -17.71774 27.96392 
1 1 1    6   14   46 o   88.928   23.576  115.865   53.205   0.0000   0.0000  115.865   53.205  ?   ?    88.928   23.576 0.000000 23.57627 
1 1 1    6   15    0 o   66.470   13.381   57.306   21.442   47.775   28.226   70.311   32.971   61.045   17.569   73.406   18.101 -12.36058 25.22495 
1 1 1    6   15    1 o  222.436   13.315  621.690   73.618  573.914  103.052  671.482  105.205  212.870   19.607  230.567   18.426 -17.69748 26.90605 
1 1 1    6   15    2 o  624.336   27.767  4924.80  432.910  4771.68  611.398  5078.76  613.061  609.333   40.410  629.229   39.211 -19.89600 56.30704 
1 1 1    6   15    3 o  260.061   20.611  855.128  132.755  855.128  132.755   0.0000   0.0000  260.061   20.611  ?   ?  0.000000 20.61089 
1 1 1    6   15    4 o  306.915   15.159  1180.21  116.178  981.853  163.160  1384.22  165.466  278.261   23.707  331.354   20.092 -53.09354 31.07567 
1 1 1    6   15    5 o  566.806   25.282  4049.72  357.851  3814.01  505.102  4287.25  507.058  545.849   37.279  579.617   35.199 -33.76825 51.27039 
1 1 1    6   15    6 o  658.257   29.071  5478.11  477.865  5254.83  674.985  5702.47  676.623  638.901   42.550  666.433   40.855 -27.53229 58.98825 
1 1 1    6   15    7 o  867.272   37.495  9585.70  812.034  8897.70  1146.84 10277.44  1149.95  823.670   56.091  888.373   52.064 -64.70294 76.52965 
1 1 1    6   15    8 o  382.276   26.621  1852.07  252.545   0.0000   0.0000  1852.07  252.545  ?   ?   382.276   26.621 0.000000 26.62136 
1 1 1    6   15    9 o  301.206   15.632  1139.80  117.177  1094.41  165.025  1185.95  166.409  294.125   22.642  306.372   21.895 -12.24680 31.49711 
1 1 1    6   15   10 o  403.101   18.977  2039.25  191.021  1915.25  269.312  2164.79  270.985  388.529   27.944  413.528   26.379 -24.99902 38.42831 
1 1 1    6   15   11 o  156.709   12.023  309.050   46.690  346.913   65.270  269.371   66.816  165.627   15.979  145.318   18.857 20.30887 24.71679 
1 1 1    6   15   12 o  805.032   35.017  8231.28  703.952  7809.03  994.441  8655.39  996.640  774.895   51.687  817.570   49.043 -42.67444 71.25144 
1 1 1    6   15   13 o  716.026   45.651  6613.12  812.013  6613.12  812.013   0.0000   0.0000  716.026   45.651  ?   ?  0.000000 45.65126 
1 1 1    6   15   14 o  137.086   8.6980  235.837   29.621  225.584   35.685  258.554   53.118  133.874   10.765  142.879   15.117 -9.005890 18.55851 
1 1 1    6   15   15 o  641.075   23.107  5170.82  369.910  5064.58  452.766  5384.09  641.497  633.164   28.636  648.179   39.825 -15.01489 49.05141 
1 1 1    6   15   16 o  674.121   24.100  5722.78  405.699  5516.00  496.511  6138.17  703.732  660.256   30.114  691.517   40.935 -31.26154 50.81818 
1 1 1    6   15   17 o  197.650   9.5858  488.461   47.313  468.469   57.617  529.851   82.903  193.115   12.007  204.936   16.335 -11.82060 20.27340 
1 1 1    6   15   18 o  168.032   11.407  354.904   47.582  354.904   47.582   0.0000   0.0000  168.032   11.407  ?   ?  0.000000 11.40730 
1 1 1    6   15   26 o  278.370   21.505  990.601  148.330  990.601  148.330   0.0000   0.0000  278.370   21.505  ?   ?  0.000000 21.50486 
1 1 1    6   15   27 o  558.444   20.645  3965.22  287.905  3893.66  352.634  4108.26  498.597  550.699   25.642  557.307   36.019 -6.608276 44.21441 
1 1 1    6   15   28 o  237.745   11.322  709.905   67.216  682.806   82.584  763.083  115.689  232.330   14.304  244.462   19.103 -12.13161 23.86458 
1 1 1    6   15   29 o  355.510   14.468  1593.99  128.440  1561.27  157.551  1658.83  221.775  350.422   18.066  358.370   24.937 -7.947784 30.79340 
1 1 1    6   15   30 o  430.242   20.606  2360.37  221.389  2211.71  313.268  2508.70  312.914  410.253   30.803  438.447   28.739 -28.19415 42.12773 
1 1 1    6   15   31 o  149.747   10.505  282.940   39.033  191.961   48.403  452.139   66.008  122.130   16.276  188.818   14.101 -66.68809 21.53472 
1 1 1    6   15   32 o  359.044   14.565  1627.58  130.586  1619.16  160.350  1644.16  225.018  356.622   18.065  356.025   25.478 0.5975952 31.23247 
1 1 1    6   15   33 o  218.097   11.267  599.540   61.155  572.735   75.607  650.261  104.003  212.533   14.329  225.376   18.647 -12.84348 23.51677 
1 1 1    6   15   34 o  138.386   10.634  242.014   36.466  206.774   45.897  302.342   60.053  127.100   14.734  153.750   15.869 -26.65031 21.65476 
1 1 1    6   15   35 o  308.183   24.196  1233.12  184.710  1233.12  184.710   0.0000   0.0000  308.183   24.196  ?   ?  0.000000 24.19553 
1 1 1    6   15   36 o  230.079   11.372  666.258   65.338  693.160   81.484  617.813  109.346  233.792   14.022  218.821   20.240 14.97104 24.62259 
1 1 1    6   15   37 f  173.217   11.070  379.240   47.633  362.593   60.146  407.248   78.014  168.635   14.421  177.868   17.803 -9.232376 22.91128 
1 1 1    6   15   38 o  328.518   13.894  1367.55  113.979  1401.73  140.930  1302.91  193.799  330.940   17.112  314.797   24.855 16.14276 30.17604 
1 1 1    6   15   39 o  114.708   12.045  168.191   33.988  160.781   44.624  178.428   52.453  110.974   16.614  116.405   18.676 -5.431396 24.99609 
1 1 1    6   15   40 o  218.317   13.895  609.633   75.356  679.712  107.790  542.639  105.391  228.229   19.088  202.770   21.124 25.45840 28.47045 
1 1 1    6   15   41 o   62.434   16.393   52.130   25.885   35.806   36.043   69.515   37.197   56.008   20.173   71.716   20.011 -15.70832 28.41450 
1 1 1    6   15   42 o   77.388   15.514   79.953   28.937   80.660   39.831   79.162   42.111   76.664   20.434   75.917   21.330 0.7466888 29.53841 
1 1 1    6   15   43 f  119.399   12.848  184.928   37.704  209.535   50.853  154.888   56.187  125.688   16.609  105.456   22.046 20.23177 27.60195 
1 1 1    6   15   44 o  129.599   13.016  218.421   41.554  227.039   56.205  208.032   61.711  130.007   17.778  122.777   20.875 7.229881 27.41975 
1 1 1    6   15   45 o  162.898   31.386  406.189  123.042  406.189  123.042   0.0000   0.0000  162.898   31.386  ?   ?  0.000000 31.38573 
1 1 1    6   16    0 o  171.703   18.486  374.495   78.016   0.0000   0.0000  374.495   78.016  ?   ?   171.703   18.486 0.000000 18.48650 
1 1 1    6   16    1 o  124.847   16.622  198.917   50.533  198.917   50.533   0.0000   0.0000  124.847   16.622  ?   ?  0.000000 16.62162 
1 1 1    6   16    2 o  159.516   12.181  320.321   48.155  329.855   66.922  310.083   69.346  161.297   16.864  156.141   18.122 5.156128 24.75482 
1 1 1    6   16    3 o  188.661   12.379  447.398   57.995  400.719   80.741  497.149   83.355  177.723   18.462  198.367   16.991 -20.64467 25.09093 
1 1 1    6   16    4 o  550.188   35.860  3870.96  489.999  3870.96  489.999   0.0000   0.0000  550.188   35.860  ?   ?  0.000000 35.86031 
1 1 1    6   16    5 o  102.862   11.624  134.065   29.333  130.831   39.855  137.888   43.329  100.877   16.383  103.456   17.388 -2.579460 23.89082 
1 1 1    6   16    6 o  256.662   14.302  827.621   91.300  800.682  128.205  855.342  130.051  251.597   20.586  260.160   20.176 -8.562851 28.82431 
1 1 1    6   16    7 o  282.763   15.366  1004.79  108.095  1053.25  152.096  955.345  153.654  288.692   21.247  274.647   22.604 14.04526 31.02232 
1 1 1    6   16    8 o  589.410   25.428  4379.53  374.260  3800.38  527.718  4965.59  530.862  544.221   39.091  624.324   34.180 -80.10345 51.92688 
1 1 1    6   16    9 o  632.144   40.698  5131.24  639.038   0.0000   0.0000  5131.24  639.038  ?   ?   632.144   40.698 0.000000 40.69811 
1 1 1    6   16   10 o  747.029   32.513  7076.23  606.521  6635.88  856.495  7519.16  859.010  715.421   48.223  763.376   45.264 -47.95508 66.13818 
1 1 1    6   16   11 o  382.543   18.133  1835.99  173.222  1701.90  244.029  1972.19  245.928  366.309   26.865  394.842   25.072 -28.53342 36.74682 
1 1 1    6   16   12 o  385.810   17.976  1867.33  173.187  1670.70  243.835  2067.51  246.028  362.867   27.105  404.429   24.476 -41.56238 36.52047 
1 1 1    6   16   13 o  341.251   16.425  1459.81  139.972  1318.01  196.818  1604.93  199.104  322.543   24.622  356.504   22.480 -33.96048 33.34026 
1 1 1    6   16   14 o  332.531   23.875  1399.41  196.941  1399.41  196.941   0.0000   0.0000  332.531   23.875  ?   ?  0.000000 23.87548 
1 1 1    6   16   15 o  559.419   19.746  3930.78  275.848  3538.58  337.107  4725.57  479.887  529.732   25.484  609.770   31.624 -80.03766 40.61389 
1 1 1    6   16   16 o  213.546   10.505  570.376   56.021  587.177   68.143  535.346   98.395  216.214   12.676  205.557   19.398 10.65720 23.17257 
1 1 1    6   16   17 o  413.139   15.084  2139.20  155.622  1868.79  190.012  2690.18  271.227  385.118   19.825  461.454   23.616 -76.33517 30.83432 
1 1 1    6   16   18 o  468.230   21.445  2759.74  250.752  2584.51  354.151  2935.88  355.085  449.911   31.725  480.273   29.753 -30.36273 43.49422 
1 1 1    6   16   29 o  228.223   12.453  657.185   70.706  822.950  100.853  496.958   99.155  254.669   15.939  196.488   20.510 58.18094 25.97549 
1 1 1    6   16   30 o  172.678   9.7092  375.245   41.697  398.211   51.738  332.687   70.431  177.587   11.733  161.008   17.816 16.57921 21.33226 
1 1 1    6   16   31 f  367.728   14.957  1708.07  137.351  1595.51  168.445  1931.40  237.269  353.622   19.146  386.489   24.713 -32.86746 31.26243 
1 1 1    6   16   32 o  452.002   17.134  2590.72  193.401  2666.06  237.339  2441.83  333.659  456.867   20.803  430.238   31.270 26.62936 37.55740 
1 1 1    6   16   33 o  226.814   14.006  651.574   78.939  587.494  112.762  713.159  110.545  213.265   21.465  235.992   18.917 -22.72655 28.61141 
1 1 1    6   16   34 o  175.410   10.805  388.134   47.099  353.189   58.892  450.150   78.455  166.641   14.291  187.644   16.925 -21.00249 22.15131 
1 1 1    6   16   35 o  101.870   11.444  132.173   28.608   95.440   37.264  184.902   44.646   85.062   18.099  119.953   15.249 -34.89096 23.66669 
1 1 1    6   16   36 o   54.940   15.026   39.435   21.210   28.605   29.558   50.929   30.452   51.117   18.284   62.615   18.315 -11.49808 25.87877 
1 1 1    6   16   37 o  233.849   22.091  711.038  127.478  711.038  127.478   0.0000   0.0000  233.849   22.091  ?   ?  0.000000 22.09139 
1 1 1    6   16   38 o  104.886   12.272  140.772   31.536  118.000   42.215  169.527   47.438   94.437   18.563  114.051   17.190 -19.61467 25.29937 
1 1 1    6   16   39 o   53.649   16.126   37.183   23.352  -1.6066   33.295   74.740   32.761   41.344   17.803   74.862   17.788 -33.51825 25.16636 
1 1 1    6   16   40 f  238.734   12.061  724.324   71.672  744.014   90.231  690.664  117.976  240.789   15.082  229.173   20.843 11.61636 25.72725 
1 1 1    6   16   41 o  179.933   11.640  412.693   52.021  409.241   66.753  418.031   83.017  177.916   15.170  178.162   18.950 -0.2462616 24.27404 
1 1 1    6   16   42 o  141.902   13.563  260.342   47.474  257.756   69.586  262.594   64.933  138.114   20.823  140.276   19.028 -2.161545 28.20727 
1 1 1    6   16   43 o   78.737   16.091   83.410   30.570   63.807   43.157  103.150   43.308   68.859   22.125   86.326   20.411 -17.46663 30.10180 
1 1 1    6   16   44 o  165.977   12.490  355.883   51.390  366.423   68.189  342.027   78.185  166.326   16.641  158.547   20.207 7.778839 26.17697 
1 1 1    6   16   45 o   57.481   21.197   38.790   40.128   0.0000   0.0000   38.790   40.128  ?   ?    57.481   21.197 0.000000 21.19671 
1 1 1    6   17    0 o  277.401   21.509  975.218  147.835  975.218  147.835   0.0000   0.0000  277.401   21.509  ?   ?  0.000000 21.50932 
1 1 1    6   17    1 o  694.510   44.884  6272.05  774.276   0.0000   0.0000  6272.05  774.276  ?   ?   694.510   44.884 0.000000 44.88447 
1 1 1    6   17    2 o  141.172   11.887  251.226   41.517  231.464   56.137  275.084   61.681  134.746   17.066  147.067   17.115 -12.32066 24.16966 
1 1 1    6   17    3 o  627.614   27.866  4984.45  436.739  4792.24  616.541  5178.04  618.749  609.566   40.738  634.440   39.247 -24.87354 56.56798 
1 1 1    6   17    4 o  198.502   12.866  495.412   63.433  476.634   87.449  516.262   92.151  193.991   18.267  201.929   18.480 -7.938690 25.98428 
1 1 1    6   17    5 o  563.109   36.643  4062.84  512.464  4062.84  512.464   0.0000   0.0000  563.109   36.643  ?   ?  0.000000 36.64296 
1 1 1    6   17    6 o  130.136   11.278  213.474   36.290  179.759   49.274  253.438   53.647  118.495   17.151  141.365   15.448 -22.87030 23.08244 
1 1 1    6   17    7 o  739.820   32.330  6948.22  597.284  6574.56  843.459  7324.06  845.921  711.354   47.759  752.451   45.230 -41.09717 65.77711 
1 1 1    6   17    8 o  655.648   29.189  5439.71  477.909  5540.83  675.424  5338.34  676.307  656.106   41.437  643.546   42.320 12.56012 59.22826 
1 1 1    6   17    9 o  461.459   20.259  2675.94  233.450  2273.04  328.458  3087.24  331.865  422.311   31.370  493.716   27.020 -71.40469 41.40206 
1 1 1    6   17   10 o  148.394   17.353  279.958   63.090   0.0000   0.0000  279.958   63.090  ?   ?   148.394   17.353 0.000000 17.35296 
1 1 1    6   17   11 o  220.144   12.465  608.510   68.245  503.780   94.994  720.220   98.108  199.368   19.323  239.098   16.533 -39.73003 25.43064 
1 1 1    6   17   12 o  331.895   16.456  1381.23  136.390  1318.25  191.746  1445.72  194.045  322.611   23.972  338.090   23.122 -15.47913 33.30647 
1 1 1    6   17   13 o  298.611   14.623  1117.13  109.044  959.825  152.691  1280.86  155.778  275.274   22.407  318.715   19.669 -43.44095 29.81507 
1 1 1    6   17   14 o  347.005   17.766  1515.03  153.429  1838.21  216.642  1189.82  217.323  381.422   22.850  305.344   28.843 76.07727 36.79741 
1 1 1    6   17   15 o  573.208   37.182  4213.27  529.360  4213.27  529.360   0.0000   0.0000  573.208   37.182  ?   ?  0.000000 37.18247 
1 1 1    6   17   16 o  506.823   18.092  3225.46  228.980  2913.00  279.742  3859.89  398.610  480.755   23.301  551.246   29.060 -70.49048 37.24804 
1 1 1    6   17   17 o  184.874   7.7692  427.221   35.867  346.505   49.597  515.717   51.932  165.933   12.052  202.777   10.289 -36.84380 15.84658 
1 1 1    6   17   18 o  556.411   17.048  3887.70  236.872  3641.87  334.474  4135.05  335.504  536.788   24.952  572.380   23.473 -35.59186 34.25758 
1 1 1    6   17   19 o  330.911   13.284  1372.39  109.771  1405.08  134.478  1307.13  190.026  334.533   16.098  320.746   23.896 13.78772 28.81248 
1 1 1    6   17   32 o  273.446   10.703  939.348   73.083  868.399  103.980  1008.61  102.741  261.462   16.002  282.236   14.628 -20.77365 21.68058 
1 1 1    6   17   33 o  272.242   10.950  931.506   74.443  813.423  106.148  1045.80  104.430  252.718   16.918  287.372   14.600 -34.65434 22.34665 
1 1 1    6   17   34 o   95.207   10.989  115.437   25.645  103.407   33.897  131.541   39.219   89.098   15.814  100.694   16.142 -11.59618 22.59775 
1 1 1    6   17   35 o  135.776   12.889  234.472   43.178  171.406   63.821  287.705   58.634  113.424   23.312  149.872   15.910 -36.44884 28.22335 
1 1 1    6   17   36 o  158.460   10.798  317.244   42.475  294.122   54.170  354.151   68.438  151.825   14.463  166.169   16.720 -14.34416 22.10693 
1 1 1    6   17   37 o  113.835   11.736  165.008   32.884  123.268   43.217  222.408   50.680   96.694   18.573  131.459   15.752 -34.76475 24.35307 
1 1 1    6   17   38 o  183.846   11.164  427.611   51.011  419.856   64.714  440.336   82.900  181.378   14.406  184.607   18.220 -3.229294 23.22771 
1 1 1    6   17   39 o  318.680   25.936  1352.23  204.612  1352.23  204.612   0.0000   0.0000  318.680   25.936  ?   ?  0.000000 25.93643 
1 1 1    6   17   40 o  403.136   19.014  2106.93  191.415  2431.76  277.270  1811.15  264.580  425.450   26.226  363.725   29.380 61.72519 39.38253 
1 1 1    6   17   41 o  311.417   13.747  1239.40  106.905  1277.77  133.181  1169.88  179.255  313.851   17.057  294.398   24.609 19.45230 29.94206 
1 1 1    6   17   42 o  151.826   12.053  295.643   45.323  266.170   59.700  335.740   69.633  142.081   17.175  159.488   17.787 -17.40633 24.72550 
1 1 1    6   17   43 o  128.212   12.566  212.520   39.714  208.019   54.143  217.761   58.430  124.711   17.899  127.141   18.985 -2.429832 26.09210 
1 1 1    6   17   44 o  183.469   12.258  433.855   55.837  458.903   74.142  401.032   84.872  186.668   16.062  171.902   20.154 14.76680 25.77117 
1 1 1    6   17   45 o   81.885   21.769   95.076   45.279   0.0000   0.0000   95.076   45.279  ?   ?    81.885   21.769 0.000000 21.76868 
1 1 1    6   18    0 o  312.099   16.037  1226.74  124.564  1156.49  174.079  1300.45  178.316  301.552   23.298  320.074   22.452 -18.52151 32.35531 
1 1 1    6   18    1 o  389.956   18.779  1913.39  182.867  1861.86  257.187  1966.08  260.062  382.165   27.126  392.897   26.664 -10.73279 38.03636 
1 1 1    6   18    2 o  142.429   18.369  259.192   63.809   0.0000   0.0000  259.192   63.809  ?   ?   142.429   18.369 0.000000 18.36863 
1 1 1    6   18    3 o  928.268   40.324 11104.41  934.727 10263.08  1319.80 11951.12  1324.02  873.549   60.883  947.884   56.186 -74.33521 82.84677 
1 1 1    6   18    4 o  556.046   24.779  3905.52  344.064  3635.52  485.206  4178.61  487.966  531.643   36.773  571.163   34.372 -39.52051 50.33595 
1 1 1    6   18    5 o  369.903   17.817  1718.40  164.580  1618.59  231.349  1820.67  234.178  356.889   26.141  378.919   24.887 -22.02994 36.09277 
1 1 1    6   18    6 o  773.457   32.376  7610.02  625.331  6516.77  881.253  8718.78  887.483  705.012   50.388  820.814   43.452 -115.8019 66.53600 
1 1 1    6   18    7 o  668.578   43.051  5784.52  714.943  5784.52  714.943   0.0000   0.0000  668.578   43.051  ?   ?  0.000000 43.05104 
1 1 1    6   18    8 o  236.687   14.247  704.451   83.817  779.728  117.388  626.156  119.717  248.397   19.070  221.970   21.883 26.42697 29.02622 
1 1 1    6   18    9 o  568.132   25.390  4074.80  360.212  3891.87  508.325  4259.32  510.517  550.627   37.187  576.776   35.619 -26.14899 51.49324 
1 1 1    6   18   10 o  524.128   23.587  3462.69  308.714  3279.32  435.473  3647.94  437.712  506.193   34.659  534.618   32.947 -28.42490 47.81992 
1 1 1    6   18   11 o  372.544   17.608  1742.13  163.805  1584.67  230.372  1903.14  232.960  353.221   26.306  387.745   24.180 -34.52414 35.73061 
1 1 1    6   18   12 o  289.840   22.187  1063.86  159.367   0.0000   0.0000  1063.86  159.367  ?   ?   289.840   22.187 0.000000 22.18717 
1 1 1    6   18   13 o  197.095   12.123  488.108   59.377  434.416   81.982  547.345   86.112  185.149   17.957  208.203   16.703 -23.05424 24.52474 
1 1 1    6   18   14 o  205.523   12.345  530.737   63.066  478.698   87.394  587.281   91.098  194.386   18.216  215.650   17.056 -21.26331 24.95454 
1 1 1    6   18   15 o  648.825   28.950  5338.30  469.056  5388.66  662.695  5287.74  663.998  645.563   41.325  639.198   41.829 6.365112 58.79996 
1 1 1    6   18   16 o  242.687   12.839  739.795   77.530  632.530  107.605  855.594  111.804  223.421   19.482  260.450   17.289 -37.02983 26.04667 
1 1 1    6   18   17 o  408.877   15.531  2097.86  158.573  1955.63  273.286  2170.05  194.702  391.595   28.134  415.376   18.771 -23.78076 33.82105 
1 1 1    6   18   18 o  414.893   13.371  2157.82  138.528  2025.26  195.387  2291.80  196.433  401.052   19.509  426.821   18.430 -25.76883 26.83786 
1 1 1    6   18   19 o  256.864   9.7324  825.679   62.427  885.196   88.059  765.545   88.514  265.702   13.272  246.582   14.438 19.11967 19.61083 
1 1 1    6   18   34 f  266.318   21.092  913.490  139.124   0.0000   0.0000  913.490  139.124  ?   ?   266.318   21.092 0.000000 21.09198 
1 1 1    6   18   35 o  362.252   12.290  1653.37  111.177  1764.06  158.354  1545.76  156.127  372.647   17.017  348.029   18.026 24.61823 24.78949 
1 1 1    6   18   36 o  464.556   14.377  2730.18  166.790  3056.49  237.526  2412.78  234.261  488.896   19.456  433.153   21.657 55.74231 29.11296 
1 1 1    6   18   37 o   92.258   14.050  110.087   31.348   78.355   50.128  130.466   40.172   77.434   23.703   99.990   16.676 -22.55618 28.98156 
1 1 1    6   18   38 o  194.897   9.1413  477.401   44.490  485.752   67.362  470.940   59.253  195.288   13.904  192.667   12.381 2.621063 18.61734 
1 1 1    6   18   39 o  308.687   12.498  1206.79   96.337  976.809  138.487  1422.43  134.102  273.857   20.397  333.586   16.098 -59.72845 25.98412 
1 1 1    6   18   40 o  340.145   12.014  1466.94  102.048  1528.09  147.398  1410.65  141.422  344.460   17.136  330.525   17.193 13.93484 24.27443 
1 1 1    6   18   41 o  294.068   10.897  1095.81   80.019  1151.17  117.045  1047.24  109.644  298.651   15.750  284.983   15.465 13.66791 22.07306 
1 1 1    6   18   42 o  132.477   28.541  252.286   91.632  252.286   91.632   0.0000   0.0000  132.477   28.541  ?   ?  0.000000 28.54078 
1 1 1    6   18   43 o  184.097   12.160  435.401   55.586  420.820   72.785  455.807   86.104  178.902   16.477  184.803   18.925 -5.901154 25.09287 
1 1 1    6   18   44 o  183.011   19.647  452.259   88.386   0.0000   0.0000  452.259   88.386  ?   ?   183.011   19.647 0.000000 19.64735 
1 1 1    6   19    0 o  209.801   13.199  554.552   68.800  529.775   94.737  582.200  100.077  204.089   18.800  214.003   18.922 -9.913986 26.67358 
1 1 1    6   19    1 o  563.839   24.813  4035.83  349.370  3612.50  492.107  4466.02  496.084  526.648   37.667  588.059   33.926 -61.41046 50.69314 
1 1 1    6   19    2 o   94.528   12.063  113.778   27.826   87.770   35.548  154.930   44.715   81.946   17.875  109.757   16.853 -27.81091 24.56698 
1 1 1    6   19    3 o  191.356   19.014  465.537   89.656   0.0000   0.0000  465.537   89.656  ?   ?   191.356   19.014 0.000000 19.01410 
1 1 1    6   19    4 o  339.861   16.871  1451.42  143.183  1382.77  200.994  1522.15  204.024  329.675   24.591  346.186   23.744 -16.51102 34.18350 
1 1 1    6   19    5 o  639.439   28.580  5194.97  456.357  5131.59  644.400  5258.73  646.376  628.458   41.291  636.464   40.885 -8.006226 58.10775 
1 1 1    6   19    6 o  235.244   13.282  695.682   77.706  610.539  107.881  787.489  112.023  219.348   19.912  249.649   18.092 -30.30066 26.90362 
1 1 1    6   19    7 f  236.354   13.577  702.392   79.800  658.198  110.980  749.703  114.828  227.875   19.696  243.419   19.042 -15.54414 27.39625 
1 1 1    6   19    8 o  698.430   45.106  6359.47  782.493  6359.47  782.493   0.0000   0.0000  698.430   45.106  ?   ?  0.000000 45.10595 
1 1 1    6   19    9 o  447.612   20.985  2523.23  234.562  2524.41  330.720  2522.04  332.732  444.797   29.949  444.520   30.153 0.2767639 42.49878 
1 1 1    6   19   10 o  368.740   18.130  1708.59  166.946  1732.26  235.100  1684.51  237.107  369.255   25.656  363.956   26.265 5.299042 36.71569 
1 1 1    6   19   11 o  250.635   13.491  789.382   84.128  691.296  117.213  893.596  120.819  233.501   20.304  266.037   18.297 -32.53632 27.33221 
1 1 1    6   19   12 f  418.838   19.555  2206.87  204.525  2093.22  288.027  2322.46  290.473  405.215   28.649  427.302   27.366 -22.08688 39.61869 
1 1 1    6   19   13 o  296.745   22.544  1116.90  165.807   0.0000   0.0000  1116.90  165.807  ?   ?   296.745   22.544 0.000000 22.54379 
1 1 1    6   19   14 o  321.867   14.466  1299.11  116.272  1005.95  162.317  1608.09  166.636  281.333   23.314  357.099   18.752 -75.76520 29.91994 
1 1 1    6   19   15 o  287.758   11.984  1037.09   86.113  929.189  146.605  1093.93  106.402  270.550   21.887  295.334   14.427 -24.78406 26.21433 
1 1 1    6   19   16 o  396.528   15.333  1973.64  151.833  2007.58  261.329  1956.34  186.549  397.003   26.512  394.239   18.949 2.764679 32.58774 
1 1 1    6   19   17 o  263.206   14.433  871.864   94.504  857.787  132.306  886.528  135.035  260.016   20.544  264.348   20.619 -4.332336 29.10653 
1 1 1    6   19   18 o  135.917   9.6111  232.347   32.411  250.601   53.672  221.870   40.662  140.394   15.571  132.466   12.438 7.927933 19.92902 
1 1 1    6   19   19 o  479.368   15.053  2886.88  180.193  2582.58  254.233  3194.07  255.434  451.685   22.540  502.958   20.337 -51.27316 30.35863 
1 1 1    6   19   20 o  201.821   9.7757  510.003   49.268  641.188   85.022  443.682   60.453  225.346   15.198  187.600   12.984 37.74623 19.98885 
1 1 1    6   19   37 o  138.273   11.432  242.549   39.121   0.0000   0.0000  242.549   39.121  ?   ?   138.273   11.432 0.000000 11.43249 
1 1 1    6   19   38 o  171.805   9.0501  371.991   38.690  364.150   58.350  378.145   51.687  168.903   13.959  172.609   12.067 -3.705276 18.45207 
1 1 1    6   19   39 o  298.981   11.755  1130.57   87.767  1020.32  126.286  1233.58  122.064  281.056   18.089  310.334   15.803 -29.27823 24.02023 
1 1 1    6   19   40 o  150.568   13.129  290.443   48.872  267.838   73.783  308.114   65.235  141.557   21.553  153.729   17.293 -12.17107 27.63304 
1 1 1    6   19   41 o  191.621   8.6657  462.855   41.466  555.471   64.725  398.380   54.005  208.508   12.488  176.516   12.329 31.99141 17.54894 
1 1 1    6   19   42 o   46.598   12.734   28.659   15.239   32.238   38.677   28.002   16.580   55.198   20.719   46.263   13.509 8.934563 24.73419 
1 1 1    6   19   43 o  140.027   9.7207  249.862   33.780  232.917   57.006  259.032   41.936  132.135   17.723  141.866   11.949 -9.730453 21.37459 
1 1 1    6   19   44 o  150.803   17.263  302.988   63.837   0.0000   0.0000  302.988   63.837  ?   ?   150.803   17.263 0.000000 17.26255 
1 1 1    6   20    0 o  458.482   21.105  2667.70  241.633  2480.98  339.693  2858.95  343.784  436.918   31.342  470.235   29.425 -33.31689 42.99010 
1 1 1    6   20    1 o  208.329   12.619  546.796   65.340  461.669   89.534  643.794   95.572  190.193   19.110  225.323   17.113 -35.13031 25.65249 
1 1 1    6   20    2 o  179.404   12.447  405.743   55.420  376.976   75.638  439.087   81.434  171.997   17.871  185.782   17.770 -13.78542 25.20211 
1 1 1    6   20    3 o  143.723   11.832  260.711   42.089  234.277   56.517  293.626   63.067  135.351   17.103  151.795   16.926 -16.44339 24.06232 
1 1 1    6   20    4 o  152.739   18.316  298.082   68.467   0.0000   0.0000  298.082   68.467  ?   ?   152.739   18.316 0.000000 18.31602 
1 1 1    6   20    5 o  237.543   13.730  710.380   81.101  670.726  112.665  753.024  116.835  229.754   19.831  243.630   19.364 -13.87616 27.71711 
1 1 1    6   20    6 o  690.328   30.603  6091.03  527.555  5840.87  744.722  6343.02  747.435  665.795   45.058  695.342   43.260 -29.54694 62.46251 
1 1 1    6   20    7 o  187.084   12.675  440.720   58.868  437.173   80.997  444.691   85.706  185.586   17.691  187.031   18.597 -1.445129 25.66779 
1 1 1    6   20    8 o  233.221   13.120  684.051   76.100  598.298  105.419  777.365  109.968  217.039   19.664  247.946   17.881 -30.90746 26.57801 
1 1 1    6   20    9 o  427.170   29.071  2333.47  308.266  2333.47  308.266   0.0000   0.0000  427.170   29.071  ?   ?  0.000000 29.07137 
1 1 1    6   20   10 o  175.105   12.181  386.000   52.931  366.643   72.249  408.426   77.765  169.915   17.267  179.377   17.587 -9.461288 24.64676 
1 1 1    6   20   11 o  508.953   22.834  3273.43  290.208  3026.77  408.996  3523.54  411.853  484.798   33.999  524.293   31.605 -39.49518 46.41959 
1 1 1    6   20   12 o  403.554   17.425  2047.85  175.600  1599.37  246.272  2511.68  250.451  353.591   28.123  445.305   22.596 -91.71405 36.07663 
1 1 1    6   20   13 o   50.050   15.897   30.869   22.329   72.249   25.672 -97.7037   45.252   74.654   14.291   32.107   15.824 42.54696 21.32242 
1 1 1    6   20   14 o  137.369   17.729  241.262   59.398   0.0000   0.0000  241.262   59.398  ?   ?   137.369   17.729 0.000000 17.72922 
1 1 1    6   20   15 o  258.467   9.5606  836.048   61.708  529.109  102.782  1009.04   77.162  203.788   20.474  283.854   10.886 -80.06656 23.18807 
1 1 1    6   20   16 o  458.385   16.819  2643.02  192.527  2343.68  331.409  2795.50  236.533  426.724   31.319  470.673   20.124 -43.94925 37.22748 
1 1 1    6   20   17 o  428.416   15.760  2307.41  168.608  2045.09  290.203  2441.07  207.159  398.995   29.332  440.004   18.854 -41.00897 34.86855 
1 1 1    6   20   18 o  477.820   21.952  2890.83  261.938  2768.73  369.695  3013.93  371.181  462.931   32.180  483.710   30.890 -20.77844 44.60672 
1 1 1    6   20   19 o  497.371   18.319  3121.02  227.525  3184.79  393.419  3088.97  278.896  496.306   31.913  493.469   22.632 2.837250 39.12355 
1 1 1    6   20   20 o   98.705   7.6068  122.603   18.605  144.795   25.635   97.903   27.044  107.086   9.6914   87.408   12.767 19.67761 16.02837 
1 1 1    6   20   21 o  406.293   19.566  2089.56  198.512  2221.66  280.517  1957.04  280.961  415.501   27.185  389.002   29.135 26.49908 39.84811 
1 1 1    6   20   40 o   63.718   16.451   54.165   26.356   0.0000   0.0000   54.165   26.356  ?   ?    63.718   16.451 0.000000 16.45098 
1 1 1    6   20   41 o   49.509   11.827   32.386   14.421   33.282   33.507   32.182   15.977   54.049   19.452   49.334   12.843 4.715328 23.30972 
1 1 1    6   20   42 o  155.620   9.1590  307.232   35.436  306.733   56.409  307.558   45.545  153.533   14.901  154.882   11.866 -1.349197 19.04802 
1 1 1    6   20   43 o  131.097   13.795  223.763   44.483  196.660   70.853  241.396   57.150  117.652   24.893  134.657   17.403 -17.00507 30.37317 
1 1 1    6   21    0 o  494.422   21.936  3120.48  270.838  2718.55  380.465  3533.41  385.634  453.647   33.828  520.596   29.787 -66.94858 45.07364 
1 1 1    6   21    1 o  191.195   18.026  466.681   85.051  466.681   85.051   0.0000   0.0000  191.195   18.026  ?   ?  0.000000 18.02627 
1 1 1    6   21    2 o  366.062   17.857  1694.25  163.232  1611.96  228.921  1779.36  232.817  353.685   26.103  372.064   25.207 -18.37924 36.28731 
1 1 1    6   21    3 o  395.511   17.946  1976.38  177.242  1678.55  248.026  2287.20  253.376  360.585   27.758  422.847   24.095 -62.26147 36.75727 
1 1 1    6   21    4 o  167.386   11.446  353.040   47.557  268.368   63.495  461.232   71.774  144.731   17.954  190.847   15.186 -46.11612 23.51483 
1 1 1    6   21    5 o  190.964   12.595  459.653   59.723  433.344   82.126  489.182   87.008  184.459   18.061  196.105   17.967 -11.64554 25.47565 
1 1 1    6   21    6 o  820.629   55.117  9237.41  1122.93   0.0000   0.0000  9237.41  1122.93  ?   ?   820.629   55.117 0.000000 55.11681 
1 1 1    6   21    7 o  328.411   16.312  1357.45  133.773  1262.28  187.364  1456.41  191.056  314.357   24.050  338.175   22.756 -23.81802 33.10994 
1 1 1    6   21    8 o  333.807   16.186  1401.93  134.923  1249.79  188.918  1560.32  192.758  312.774   24.380  350.332   22.147 -37.55847 32.93784 
1 1 1    6   21    9 o  674.680   29.693  5826.98  500.274  5403.49  705.759  6254.66  709.242  638.680   44.530  690.023   41.351 -51.34241 60.76840 
1 1 1    6   21   10 f  296.530   22.337  1119.37  164.186  1119.37  164.186   0.0000   0.0000  296.530   22.337  ?   ?  0.000000 22.33669 
1 1 1    6   21   11 f  188.188   9.6429  444.493   45.164  323.944   71.232  525.532   58.404  159.322   18.232  204.460   11.485 -45.13789 21.54816 
1 1 1    6   21   12 o  339.797   11.872  1447.38  100.740  1026.68  169.622  1676.63  125.216  283.444   24.196  365.477   13.720 -82.03329 27.81519 
1 1 1    6   21   13 o  146.281   9.8675  269.125   35.834  251.668   56.501  280.871   46.349  140.501   16.413  149.126   12.563 -8.624954 20.66936 
1 1 1    6   21   14 o   99.776   10.202  125.966   25.061  126.093   37.269  125.862   33.860   98.967   15.596   99.146   14.071 -0.1788025 21.00572 
1 1 1    6   21   15 o  398.703   27.838  2039.94  275.429   0.0000   0.0000  2039.94  275.429  ?   ?   398.703   27.838 0.000000 27.83843 
1 1 1    6   21   16 o  320.699   13.227  1291.11  105.931  1239.78  181.221  1317.76  130.559  311.626   23.460  323.562   16.158 -11.93622 28.48605 
1 1 1    6   21   17 o  514.688   19.422  3347.92  249.619  3632.16  431.546  3205.00  306.006  529.305   32.811  501.829   24.419 27.47546 40.90021 
1 1 1    6   21   18 o  410.793   16.056  2125.47  164.707  2156.97  284.180  2109.53  202.117  409.352   27.967  408.322   19.822 1.029724 34.27967 
1 1 1    6   21   19 o  142.780   11.655  257.461   41.194  282.776   57.503  230.774   59.040  149.031   15.687  133.992   18.109 15.03883 23.95831 
1 1 1    6   21   20 o  171.370   9.3477  368.996   39.852  370.305   67.780  368.305   49.267  170.634   16.097  170.919   11.612 -0.2847900 19.84820 
1 1 1    6   21   21 o  432.289   14.288  2352.77  154.244  2412.30  217.964  2293.06  218.303  435.989   20.020  424.884   20.575 11.10428 28.70751 
1 1 1    6   21   22 o  201.871   13.878  515.450   69.536  711.642   97.839  315.192   98.848  236.748   16.655  154.535   26.573 82.21307 31.36091 
1 1 1    6   21   43 o  118.795   16.252  187.216   46.949   0.0000   0.0000  187.216   46.949  ?   ?   118.795   16.252 0.000000 16.25242 
1 1 1    6   22    0 o   54.973   14.068   39.616   19.393   19.273   22.508   98.243   38.210   43.399   15.894   86.298   18.298 -42.89845 24.23754 
1 1 1    6   22    1 o   69.324   14.035   62.781   23.464   67.463   28.608   53.159   41.013   71.598   16.359   65.689   21.601 5.908936 27.09660 
1 1 1    6   22    2 o  272.580   21.431  954.372  144.704  954.372  144.704   0.0000   0.0000  272.580   21.431  ?   ?  0.000000 21.43144 
1 1 1    6   22    3 o  296.985   15.294  1116.07  113.038  1009.14  157.544  1229.52  162.280  280.101   22.719  309.945   21.092 -29.84357 31.00071 
1 1 1    6   22    4 o  192.552   12.662  468.128   60.544  437.328   82.791  503.535   88.767  184.980   18.157  198.623   18.095 -13.64288 25.63401 
1 1 1    6   22    5 o   92.971   13.093  110.775   29.555  137.121   38.141   71.186   46.755  103.223   15.256   74.609   22.901 28.61480 27.51749 
1 1 1    6   22    6 o  481.414   22.060  2948.78  265.205  2768.78  373.370  3132.06  376.765  460.374   32.690  490.912   30.891 -30.53796 44.97657 
1 1 1    6   22    7 o  185.875   19.050  441.626   87.173   0.0000   0.0000  441.626   87.173  ?   ?   185.875   19.050 0.000000 19.04965 
1 1 1    6   22    8 o  286.185   14.854  1033.50  105.787  927.167  147.607  1145.79  151.687  269.257   22.149  300.023   20.367 -30.76602 30.08976 
1 1 1    6   22    9 o  577.752   21.198  4233.89  305.831  4105.56  527.004  4299.06  375.535  558.247   38.030  579.938   25.931 -21.69006 46.02966 
1 1 1    6   22   10 o  333.842   13.614  1400.51  113.494  1331.85  192.796  1436.92  140.400  322.519   24.113  337.620   16.653 -15.10071 29.30415 
1 1 1    6   22   11 o  298.151   12.644  1116.01   94.137  1068.03  159.094  1141.86  116.773  289.227   22.197  300.762   15.601 -11.53473 27.13118 
1 1 1    6   22   12 o  358.335   17.876  1620.80  159.956  1616.20  223.240  1625.64  229.307  355.051   25.345  355.854   25.984 -0.8037720 36.29794 
1 1 1    6   22   13 o  264.008   12.443  874.917   82.030  943.096  138.748  838.280  101.710  272.111   20.571  257.512   15.894 14.59933 25.99592 
1 1 1    6   22   14 o  271.535   11.706  925.011   79.377  829.841  133.717  976.796   98.637  254.971   21.193  278.358   14.238 -23.38710 25.53169 
1 1 1    6   22   15 o  222.130   11.300  620.464   62.476  647.322  104.999  605.742   77.735  225.518   18.816  219.006   14.292 6.512894 23.62881 
1 1 1    6   22   16 o  154.870   17.797  306.788   67.576   0.0000   0.0000  306.788   67.576  ?   ?   154.870   17.797 0.000000 17.79675 
1 1 1    6   22   17 o  230.219   11.822  667.015   67.733  781.762  115.202  606.391   83.736  247.887   18.749  218.858   15.420 29.02875 24.27551 
1 1 1    6   22   18 o   53.302   11.105   36.969   14.302   32.419   19.706   42.034   20.790   50.304   14.738   56.718   14.594 -6.413967 20.74133 
1 1 1    6   22   19 o  268.850   11.779  907.719   79.080  841.067  135.632  942.046   97.336  256.262   21.390  273.146   14.320 -16.88397 25.74108 
1 1 1    6   22   20 o  336.133   16.922  1431.94  141.588  1571.37  200.356  1292.85  200.115  349.985   23.054  316.336   25.551 33.64923 34.41386 
1 1 1    6   22   21 o  159.472   8.9987  319.725   35.689  346.480   60.708  305.595   44.118  165.089   14.886  155.563   11.437 9.526108 18.77221 
1 1 1    6   22   22 o  173.256   10.983  378.479   47.273   0.0000   0.0000  378.479   47.273  ?   ?   173.256   10.983 0.000000 10.98310 
1 1 1    6   23    0 o   47.505   14.444   28.745   18.656   28.149   21.617   30.485   36.929   47.943   15.679   54.740   20.305 -6.797794 25.65357 
1 1 1    6   23    1 o  105.290   11.481  141.235   29.698  100.771   37.510  209.207   48.616   87.418   17.788  127.520   15.592 -40.10172 23.65407 
1 1 1    6   23    2 o  383.144   18.113  1870.13  173.303  1674.31  242.804  2073.50  247.436  357.060   27.441  399.210   24.946 -42.15009 37.08490 
1 1 1    6   23    3 o  193.728   18.188  481.532   86.960  481.532   86.960   0.0000   0.0000  193.728   18.188  ?   ?  0.000000 18.18832 
1 1 1    6   23    4 o   84.206   12.732   91.270   25.937   68.598   32.698  129.738   42.592   72.092   18.169   99.657   17.766 -27.56443 25.41191 
1 1 1    6   23    5 o  325.798   16.883  1348.22  136.884  1348.66  191.782  1347.77  195.435  323.107   23.939  322.781   24.427 0.3259888 34.20198 
1 1 1    6   23    6 o  182.838   11.220  421.525   50.980  471.267   81.549  389.615   65.316  192.163   17.175  175.047   15.090 17.11568 22.86221 
1 1 1    6   23    7 o  258.467   12.309  840.045   79.445  849.754  132.445  834.589   99.291  257.502   20.774  256.631   15.567 0.8714905 25.95938 
1 1 1    6   23    8 o  256.817   21.293  845.724  135.326   0.0000   0.0000  845.724  135.326  ?   ?   256.817   21.293 0.000000 21.29313 
1 1 1    6   23    9 o  232.421   10.127  677.512   58.779  488.837   94.979  794.630   74.831  195.262   19.750  251.494   11.915 -56.23166 23.06606 
1 1 1    6   23   10 o   96.739   11.740  119.233   27.780  159.104   40.528   83.895   38.154  111.387   14.947   79.770   19.352 31.61729 24.45218 
1 1 1    6   23   11 o  106.057   10.093  142.305   26.409  120.908   37.950  162.396   36.774   96.581   16.316  112.862   13.304 -16.28112 21.05265 
1 1 1    6   23   12 o  358.649   13.763  1618.79  123.267  1401.46  209.757  1733.44  152.350  329.590   25.688  370.504   16.466 -40.91458 30.51283 
1 1 1    6   23   13 o  279.919   14.912  990.170  103.863  934.082  143.321  1052.20  150.728  270.130   21.422  286.868   21.191 -16.73770 30.13231 
1 1 1    6   23   14 o  159.043   11.363  319.143   44.830  425.090   73.300  255.830   56.664  182.804   16.226  141.436   16.344 41.36794 23.03077 
1 1 1    6   23   15 o  138.488   9.6893  241.594   33.297  217.041   51.886  258.786   43.417  130.118   16.328  142.987   12.279 -12.86940 20.42956 
1 1 1    6   23   16 o  273.025   12.202  936.821   83.192  938.336  141.663  936.023  102.783  270.725   21.122  272.013   15.192 -1.287842 26.01778 
1 1 1    6   23   17 o  231.617   13.316  677.363   76.696  627.453  106.659  730.800  110.364  221.471   19.484  239.377   18.609 -17.90619 26.94271 
1 1 1    6   23   18 o  160.643   9.4699  324.673   37.821  281.360   62.437  349.777   47.534  148.144   17.198  166.470   11.505 -18.32674 20.69114 
1 1 1    6   23   19 o  203.864   10.554  523.082   53.544  519.713   91.304  524.848   66.103  201.601   18.337  203.781   13.059 -2.179901 22.51149 
1 1 1    6   23   20 o  297.944   12.935  1117.66   96.237  1224.09  166.040  1063.82  118.096  308.798   21.669  289.505   16.403 19.29285 27.17747 
1 1 1    6   23   21 o  215.769   10.965  586.402   58.888  691.638  101.405  532.854   72.335  232.873   17.567  205.035   14.215 27.83783 22.59822 
1 1 1    6   23   22 o  158.501   9.5626  316.346   37.672  342.227   63.720  302.438   46.710  163.742   15.779  154.550   12.202 9.191681 19.94656 
1 1 1    6   23   23 o  464.026   15.226  2722.79  176.429  2924.29  249.300  2520.60  249.717  478.247   20.875  442.556   22.672 35.69168 30.81838 
1 1 1    6   24    0 o  307.298   24.194  1242.07  184.155   0.0000   0.0000  1242.07  184.155  ?   ?   307.298   24.194 0.000000 24.19355 
1 1 1    6   24    1 o  167.209   10.820  353.709   44.937  325.595   68.136  375.350   59.781  158.712   17.482  171.511   14.082 -12.79857 22.44803 
1 1 1    6   24    2 o  296.679   12.754  1112.24   94.488  1016.10  156.535  1167.34  118.514  279.203   22.646  302.615   15.737 -23.41205 27.57753 
1 1 1    6   24    3 o  163.535   10.897  338.159   44.245  334.434   67.603  340.950   58.520  161.178   17.055  163.433   14.489 -2.255386 22.37894 
1 1 1    6   24    4 o  135.548   11.149  232.832   37.405  250.463   55.556  218.214   50.588  139.517   16.251  130.193   15.890 9.324051 22.72805 
1 1 1    6   24    5 o  201.808   12.678  515.641   63.564  419.568   80.853  671.111  102.853  180.578   18.177  228.790   18.151 -48.21193 25.68801 
1 1 1    6   24    6 o   75.441   12.313   73.521   22.396   76.864   29.734   69.137   34.048   76.476   16.080   72.310   18.712 4.166382 24.67188 
1 1 1    6   24    7 f  635.067   23.091  5191.20  366.201  4832.28  630.608  5373.82  449.818  590.107   43.091  641.561   28.077 -51.45313 51.43132 
1 1 1    6   24    8 o  217.263   11.679  595.533   63.130  637.478  103.365  570.579   79.726  223.043   18.732  211.894   15.168 11.14949 24.10237 
1 1 1    6   24    9 o  322.276   13.717  1309.99  110.393  1299.62  186.235  1315.61  137.069  317.049   23.694  321.630   17.128 -4.581299 29.23619 
1 1 1    6   24   10 o  216.515   10.964  590.512   59.087  535.625   96.383  623.558   74.788  204.322   19.112  222.000   13.555 -17.67865 23.43134 
1 1 1    6   24   11 o  382.451   15.111  1847.87  144.320  1746.40  246.269  1900.95  178.108  366.198   27.123  386.803   18.439 -20.60477 32.79754 
1 1 1    6   24   12 o  134.664   11.121  229.378   37.062  290.375   58.055  187.417   48.151  150.780   15.646  120.629   16.411 30.15150 22.67423 
1 1 1    6   24   13 o  144.241   9.9094  262.286   35.477  242.653   55.329  275.993   46.231  137.528   16.436  147.544   12.671 -10.01570 20.75307 
1 1 1    6   24   14 o  113.466   12.623  164.005   35.161  172.873   44.110  148.552   58.231  115.942   15.634  105.774   22.723 10.16768 27.58184 
1 1 1    6   24   15 o  281.014   12.223  993.552   85.774  940.302  145.432  1021.96  106.213  270.366   21.724  284.069   15.026 -13.70291 26.41435 
1 1 1    6   24   16 o   37.184   12.249   16.607   13.185   22.704   16.325   5.1698   22.360   42.818   13.592   36.670   15.113 6.147690 20.32541 
1 1 1    6   24   17 f  143.011   10.344  258.122   36.692  302.110   59.829  231.603   46.454  153.763   15.806  134.796   14.005 18.96692 21.11819 
1 1 1    6   24   18 o  143.083   9.8374  258.147   34.936  272.336   57.513  249.850   43.980  145.834   16.059  140.293   12.691 5.540634 20.46825 
1 1 1    6   24   19 o  138.709   18.006  248.360   60.898   0.0000   0.0000  248.360   60.898  ?   ?   138.709   18.006 0.000000 18.00595 
1 1 1    6   24   20 o  181.309   10.296  414.199   46.422  540.634   79.721  349.332   57.102  206.115   15.604  165.801   13.920 40.31384 20.91109 
1 1 1    6   24   21 o  216.876   10.722  591.151   58.071  544.572   99.639  615.111   71.463  205.707   19.635  220.509   13.036 -14.80217 23.56844 
1 1 1    6   24   22 o  275.566   15.701  964.746  107.596  1121.04  151.232  804.537  153.113  295.328   20.636  248.223   25.044 47.10548 32.45041 
1 1 1    6   24   23 o  196.291   10.916  485.941   53.297  648.932   91.181  401.354   65.686  225.653   16.291  177.514   14.957 48.13962 22.11595 
1 1 1    6   24   24 o  286.462   11.127  1032.20   79.594  1171.95  112.021  889.698  113.114  304.395   14.737  264.062   17.249 40.33304 22.68681 
1 1 1    6   25    0 o   40.660   14.245   18.727   17.861   29.153   20.851 -10.0157   34.620   48.211   15.367   39.778   17.612 8.433727 23.37346 
1 1 1    6   25    1 o  285.270   13.176  1031.64   93.864  1025.43  153.059  1035.39  118.832  279.867   22.080  283.979   16.832 -4.111633 27.76402 
1 1 1    6   25    2 o   85.360   19.038   97.248   39.548   0.0000   0.0000   97.248   39.548  ?   ?    85.360   19.038 0.000000 19.03789 
1 1 1    6   25    3 o  110.451   11.100  155.348   30.201  141.026   41.748  171.072   43.744  103.900   16.653  114.920   15.650 -11.02037 22.85258 
1 1 1    6   25    4 o  210.055   10.900  557.485   56.981  489.552   89.861  603.170   73.691  194.538   18.729  217.810   13.617 -23.27286 23.15588 
1 1 1    6   25    5 o  244.564   12.215  755.163   74.600  789.515  122.535  734.932   94.036  247.029   20.037  239.890   15.786 7.138702 25.50785 
1 1 1    6   25    6 o  176.087   13.252  394.172   57.843  374.640   73.261  426.503   94.254  170.528   17.450  180.772   21.287 -10.24423 27.52523 
1 1 1    6   25    7 o  366.323   14.629  1700.41  133.825  1598.88  226.897  1754.57  165.717  348.760   26.245  370.765   17.899 -22.00470 31.76728 
1 1 1    6   25    8 o  338.247   14.197  1447.83  119.918  1441.85  203.143  1451.03  148.564  332.313   24.655  336.935   17.719 -4.621643 30.36217 
1 1 1    6   25    9 o  106.454   10.945  144.065   28.682  146.182   41.094  142.055   40.050  106.201   15.991  104.703   15.810 1.498123 22.48744 
1 1 1    6   25   10 o   80.607   11.291   83.334   22.103   73.320   29.671   95.821   33.132   74.590   16.378   85.565   16.097 -10.97542 22.96398 
1 1 1    6   25   11 o  151.645   18.451  297.205   68.430   0.0000   0.0000  297.205   68.430  ?   ?   151.645   18.451 0.000000 18.45057 
1 1 1    6   25   12 f   36.759   12.705   15.400   14.185   26.248   17.082  -8.6985   25.460   45.472   13.820   33.955   15.065 11.51786 20.44397 
1 1 1    6   25   13 f  107.349   10.185  146.064   26.976  132.622   39.137  158.231   37.235  101.095   16.038  111.133   13.708 -10.03802 21.09778 
1 1 1    6   25   14 o  146.719   11.262  272.378   40.948  369.904   66.238  212.053   52.095  170.160   15.767  128.237   16.661 41.92311 22.93944 
1 1 1    6   25   15 o  172.846   12.071  378.068   51.773  341.851   69.129  424.332   78.132  163.162   17.227  181.917   17.412 -18.75510 24.49355 
1 1 1    6   25   16 o  254.565   11.497  815.559   73.084  755.104  123.295  848.307   90.744  242.045   20.594  258.743   14.097 -16.69810 24.95714 
1 1 1    6   25   17 o  107.616   10.035  146.722   26.657  148.662   40.989  145.300   35.092  107.221   15.781  106.469   13.502 0.7514038 20.76851 
1 1 1    6   25   18 o  187.371   11.369  443.390   52.946  593.566   88.929  360.925   65.899  215.612   16.645  168.016   15.895 47.59541 23.01587 
1 1 1    6   25   19 o  243.723   11.904  748.136   72.453  950.977  124.430  644.084   89.119  272.580   18.388  224.826   15.978 47.75392 24.35959 
1 1 1    6   25   20 o   87.064   19.511  100.540   41.369   0.0000   0.0000  100.540   41.369  ?   ?    87.064   19.511 0.000000 19.51098 
1 1 1    6   25   21 o  157.812   17.149  320.157   66.493  320.157   66.493   0.0000   0.0000  157.812   17.149  ?   ?  0.000000 17.14878 
1 1 1    6   25   22 o  177.145   10.110  395.588   44.537  464.772   76.321  359.865   54.842  190.722   16.177  168.362   13.149 22.36024 20.84697 
1 1 1    6   25   23 o  194.946   10.591  479.263   51.365  526.709   87.657  454.454   63.387  202.728   17.486  189.228   13.503 13.49997 22.09281 
1 1 1    6   25   24 o  148.385   10.333  278.099   38.050  375.128   63.952  224.930   47.341  171.460   15.090  132.568   14.539 38.89194 20.95439 
1 1 1    6   25   25 o  221.748   9.8861  617.801   54.744  711.025   76.605  520.503   78.261  237.011   12.993  202.022   15.635 34.98894 20.32851 
1 1 1    6   26    0 o  179.852   11.300  410.650   50.492  377.315   75.194  438.024   68.140  170.225   17.960  184.673   14.903 -14.44757 23.33788 
1 1 1    6   26    1 o  166.699   11.571  353.125   47.868  364.207   71.564  344.153   64.392  167.524   17.359  163.269   15.999 4.254913 23.60723 
1 1 1    6   26    2 o  167.180   11.614  355.047   48.183  374.559   72.824  339.854   64.260  169.978   17.402  162.281   16.068 7.697098 23.68585 
1 1 1    6   26    3 o  172.902   19.502  390.516   82.732   0.0000   0.0000  390.516   82.732  ?   ?   172.902   19.502 0.000000 19.50182 
1 1 1    6   26    4 o   80.024   13.115   83.186   25.300  105.006   33.599   54.609   38.451   89.537   15.594   65.341   20.872 24.19568 26.05359 
1 1 1    6   26    5 o  204.953   11.272  531.695   57.470  518.896   91.321  540.088   73.949  200.197   18.475  205.668   14.491 -5.470947 23.48033 
1 1 1    6   26    6 o  187.786   10.324  445.467   48.227  361.762   74.283  506.456   63.407  167.083   18.092  199.669   12.784 -32.58594 22.15323 
1 1 1    6   26    7 o  315.323   16.942  1273.28  132.915  1262.65  181.787  1285.49  194.829  310.380   23.632  312.186   25.206 -1.806549 34.55164 
1 1 1    6   26    8 o  386.751   15.318  1901.56  147.939  1793.48  251.640  1958.65  182.882  367.430   27.628  390.784   18.741 -23.35342 33.38412 
1 1 1    6   26    9 f  350.103   15.008  1556.42  131.212  1692.69  223.259  1484.51  162.177  359.044   25.058  339.626   19.201 19.41858 31.56840 
1 1 1    6   26   10 o   34.277   12.574   11.894   14.093   15.463   16.445   2.0218   27.348   37.973   13.632   38.807   16.402 -0.8334770 21.32736 
1 1 1    6   26   11 o  324.240   14.353  1332.12  116.217  1466.88  197.867  1261.15  143.595  335.259   23.789  313.506   18.423 21.75351 30.08826 
1 1 1    6   26   12 o  120.748   18.956  190.788   55.276   0.0000   0.0000  190.788   55.276  ?   ?   120.748   18.956 0.000000 18.95618 
1 1 1    6   26   13 o  218.598   10.529  601.242   57.475  531.835   94.454  642.052   72.427  203.087   18.839  225.097   12.939 -22.01018 22.85476 
1 1 1    6   26   14 o  156.197   10.709  308.435   41.519  343.995   66.703  285.943   53.049  163.662   16.548  149.613   14.376 14.04997 21.92064 
1 1 1    6   26   15 o   34.644   12.073   13.508   12.823   9.7093   15.213   22.833   23.833   33.687   12.913   45.832   16.415 -12.14542 20.88530 
1 1 1    6   26   16 o  129.940   10.082  213.520   32.457  214.252   50.927  213.020   42.120  128.902   16.177  129.199   13.242 -0.2979889 20.90602 
1 1 1    6   26   17 f  187.513   13.849  447.023   64.391  551.680   88.908  331.568   93.382  207.432   17.322  158.184   24.427 49.24738 29.94571 
1 1 1    6   26   18 o  324.654   13.540  1332.26  109.771  1298.27  188.154  1349.80  135.156  315.557   24.059  325.353   16.691 -9.796112 29.28177 
1 1 1    6   26   19 o  222.495   13.893  628.455   76.803   0.0000   0.0000  628.455   76.803  ?   ?   222.495   13.893 0.000000 13.89262 
1 1 1    6   26   20 o  191.231   18.200  470.675   85.864  470.675   85.864   0.0000   0.0000  191.231   18.200  ?   ?  0.000000 18.20003 
1 1 1    6   26   21 o  139.059   17.919  250.437   60.778   0.0000   0.0000  250.437   60.778  ?   ?   139.059   17.919 0.000000 17.91922 
1 1 1    6   26   22 o  139.238   9.6693  244.744   33.412  233.940   56.969  250.410   41.252  134.475   17.371  140.464   11.872 -5.988998 21.03991 
1 1 1    6   26   23 o   83.321   10.263   88.587   20.902   83.404   34.328   91.640   26.349   79.381   17.761   84.255   12.937 -4.873505 21.97347 
1 1 1    6   26   24 o  148.267   10.266  277.727   37.777  347.058   63.262  239.304   47.095  164.680   15.568  136.857   13.976 27.82341 20.92137 
1 1 1    6   26   25 o  246.691   12.051  767.312   74.236  934.348  126.963  680.540   91.509  269.673   18.974  230.958   15.964 38.71577 24.79689 
1 1 1    6   26   26 o  192.765   9.4533  466.756   45.505  532.086   63.068  395.812   65.722  205.013   12.377  176.080   15.093 28.93263 19.51869 
1 1 1    6   27    0 o  269.771   15.349  935.101  102.973  827.808  132.162  1100.86  164.272  250.492   21.331  287.839   23.047 -37.34666 31.40389 
1 1 1    6   27    1 o  389.900   15.820  1949.04  154.032  1895.36  258.957  1978.43  191.616  373.486   27.968  389.554   19.762 -16.06726 34.24587 
1 1 1    6   27    2 o  215.473   11.416  589.118   61.210  521.815   94.620  637.551   80.267  199.833   19.198  223.112   14.485 -23.27977 24.04908 
1 1 1    6   27    3 o  319.935   13.824  1302.61  110.443  1249.49  183.485  1332.79  138.303  306.686   24.154  321.493   17.290 -14.80743 29.70463 
1 1 1    6   27    4 f  142.904   19.680  268.907   68.368   0.0000   0.0000  268.907   68.368  ?   ?   142.904   19.680 0.000000 19.68043 
1 1 1    6   27    5 o  216.191   11.938  593.145   64.198  603.953  102.350  586.135   82.429  215.443   19.226  213.712   15.552 1.730225 24.72869 
1 1 1    6   27    6 o  291.639   12.702  1077.66   92.503  994.823  153.206  1125.18  116.042  275.176   22.492  296.463   15.731 -21.28723 27.44713 
1 1 1    6   27    7 o   67.639   13.372   59.984   21.786   67.511   27.964   48.363   34.748   71.356   16.079   61.742   19.854 9.614361 25.54820 
1 1 1    6   27    8 o  318.097   13.899  1284.52  110.409  1313.78  186.014  1268.60  137.190  315.997   23.746  314.137   17.559 1.860443 29.53305 
1 1 1    6   27    9 o   26.443   11.214   0.4003   12.853   2.0751   13.205 -29.8072   56.081   27.661   11.525   47.598   21.629 -19.93669 24.50821 
1 1 1    6   27   10 o  237.743   12.569  716.810   74.357  832.638  123.739  651.345   93.026  253.530   19.699  225.270   16.655 28.26019 25.79622 
1 1 1    6   27   11 o  423.742   17.201  2295.31  182.011  2474.78  312.292  2202.99  223.987  429.839   29.268  411.685   21.866 18.15381 36.53427 
1 1 1    6   27   12 o  238.143   12.012  717.921   71.206  755.699  118.632  696.646   89.026  241.555   19.842  233.572   15.349 7.983444 25.08583 
1 1 1    6   27   13 o  162.594   10.233  334.050   41.336  297.016   64.824  359.427   53.660  151.528   17.450  168.114   12.880 -16.58636 21.68873 
1 1 1    6   27   14 o  186.365   14.142  442.685   65.323   0.0000   0.0000  442.685   65.323  ?   ?   186.365   14.142 0.000000 14.14170 
1 1 1    6   27   15 o   85.065   11.866   93.010   24.519  126.800   35.701   62.844   33.733   98.900   14.920   68.929   18.990 29.97101 24.15023 
1 1 1    6   27   16 o  303.726   13.242  1166.88  100.436  1188.18  170.972  1155.66  124.107  301.899   22.848  300.730   16.590 1.169159 28.23553 
1 1 1    6   27   17 o  187.954   10.993  446.506   51.372  517.600   85.822  406.809   64.130  200.704   17.292  178.557   14.508 22.14661 22.57219 
1 1 1    6   27   18 o  105.378   12.426  142.090   32.070  147.207   42.394  135.245   49.037  106.348   16.498  100.919   20.163 5.429810 26.05249 
1 1 1    6   27   19 o  169.641   10.660  363.691   44.930  488.289   75.459  295.259   55.923  195.441   15.591  151.849   14.941 43.59204 21.59454 
1 1 1    6   27   20 o  204.119   10.995  526.264   55.838  835.105   95.624  366.470   68.783  256.112   15.017  168.898   16.520 87.21443 22.32513 
1 1 1    6   27   21 o  464.132   17.968  2752.45  208.248  3133.35  360.644  2561.91  255.068  484.747   29.939  443.971   23.086 40.77612 37.80669 
1 1 1    6   27   22 o   83.390   19.450   92.619   39.759   0.0000   0.0000   92.619   39.759  ?   ?    83.390   19.450 0.000000 19.44991 
1 1 1    6   27   23 f   83.935   10.465   89.995   21.459  102.603   35.439   82.696   26.964   88.400   16.665   79.688   14.064 8.712288 21.80648 
1 1 1    6   27   24 o  131.029   10.270  217.277   33.334  298.878   55.828  172.067   41.555  152.839   14.813  115.611   14.728 37.22807 20.88909 
1 1 1    6   27   25 o  305.749   13.365  1182.07  102.043  1540.94  175.805  999.740  125.312  345.635   20.460  279.193   18.071 66.44171 27.29749 
1 1 1    6   27   26 o  312.818   13.705  1238.17  107.062  1672.75  184.445  1017.35  131.478  360.080   20.598  281.334   18.823 78.74615 27.90320 
1 1 1    6   27   27 o  169.264   8.1306  359.414   34.367  327.431   46.415  398.225   51.130  160.753   11.641  177.368   11.608 -16.61505 16.43959 
1 1 1    6   28    0 o  150.322   12.168  288.983   45.286  302.359   64.446  275.936   63.650  152.010   17.285  144.868   17.981 7.142288 24.94159 
1 1 1    6   28    1 o  400.108   19.789  2090.46  197.723  1969.70  269.596  2231.01  290.856  378.526   28.736  402.432   29.140 -23.90607 40.92503 
1 1 1    6   28    2 o  165.858   13.250  352.380   54.420  505.117   83.140  237.888   71.983  197.255   17.046  132.742   22.520 64.51268 28.24418 
1 1 1    6   28    3 o  119.253   12.458  182.438   36.552  214.764   51.115  148.611   52.288  128.355   16.316  105.045   20.670 23.31059 26.33327 
1 1 1    6   28    4 o  504.426   18.753  3296.04  236.227  2964.95  402.695  3469.74  291.687  456.607   35.598  513.182   22.761 -56.57495 42.25286 
1 1 1    6   28    5 o  151.406   12.482  292.707   46.772  383.679   70.764  222.131   62.329  172.102   16.675  129.435   19.922 42.66730 25.97968 
1 1 1    6   28    6 o  209.044   20.350  572.977  104.885   0.0000   0.0000  572.977  104.885  ?   ?   209.044   20.350 0.000000 20.35017 
1 1 1    6   28    7 o  240.791   12.111  736.098   72.590  725.562  118.142  742.487   92.005  235.600   20.278  240.624   15.392 -5.024307 25.45844 
1 1 1    6   28    8 o  266.946   12.835  903.713   85.562  953.835  142.149  875.237  107.145  269.911   21.262  260.902   16.531 9.009125 26.93209 
1 1 1    6   28    9 o  252.117   12.471  805.104   78.518  851.900  129.985  778.219   98.524  255.520   20.545  246.216   16.113 9.303665 26.10980 
1 1 1    6   28   10 o  148.731   13.947  283.394   51.195  315.795   64.349  227.521   84.501  156.234   16.755  128.661   27.154 27.57256 31.90689 
1 1 1    6   28   11 o  466.664   18.811  2804.42  219.209  3195.30  377.248  2605.17  269.347  484.457   31.351  444.681   24.348 39.77515 39.69556 
1 1 1    6   28   12 o  183.830   10.545  427.372   48.203  387.501   76.804  453.284   61.916  172.880   18.057  188.666   13.225 -15.78625 22.38241 
1 1 1    6   28   13 o  233.293   11.993  689.622   69.631  733.482  116.000  664.916   87.060  237.733   19.718  227.993   15.381 9.739441 25.00739 
1 1 1    6   28   14 o   88.759   11.333  100.981   24.546  103.708   34.641   98.231   34.786   88.863   16.208   86.304   16.745 2.558731 23.30392 
1 1 1    6   28   15 o   85.984   20.712   99.225   43.943   0.0000   0.0000   99.225   43.943  ?   ?    85.984   20.712 0.000000 20.71151 
1 1 1    6   28   16 o  225.871   11.670  645.714   65.599  700.751  110.178  615.489   81.649  232.753   19.125  219.547   14.982 13.20659 24.29478 
1 1 1    6   28   17 o  331.364   14.025  1392.63  116.054  1445.89  198.566  1365.00  143.025  331.877   24.124  326.158   17.626 5.719727 29.87737 
1 1 1    6   28   18 o  122.345   9.8991  189.551   29.984  142.703   47.414  220.773   38.707  103.936   18.967  131.715   11.896 -27.77920 22.38889 
1 1 1    6   28   19 o  428.529   21.005  2372.50  224.775  2528.91  317.097  2214.53  318.668  434.724   29.382  404.389   31.813 30.33438 43.30591 
1 1 1    6   28   20 o   77.743   11.395   77.793   21.465   76.699   33.730   78.538   27.826   75.942   18.052   77.386   14.940 -1.444008 23.43239 
1 1 1    6   28   21 o  430.091   16.276  2356.95  174.802  2859.51  302.694  2105.49  214.113  465.798   26.128  403.095   21.347 62.70245 33.73997 
1 1 1    6   28   22 o   85.114   11.079   92.795   22.989  195.711   38.946   37.761   28.480  123.790   12.783   55.184   17.994 68.60619 22.07205 
1 1 1    6   28   23 o  220.137   20.028  628.159  108.894   0.0000   0.0000  628.159  108.894  ?   ?   220.137   20.028 0.000000 20.02797 
1 1 1    6   28   24 o  101.906   10.573  132.131   26.515  148.757   43.449  122.266   33.470  106.793   16.851   97.242   14.202 9.551727 22.03778 
1 1 1    6   28   25 o  335.143   13.737  1422.46  114.965  1943.69  198.733  1160.30  140.941  387.882   20.591  300.268   18.893 87.61444 27.94514 
1 1 1    6   28   26 o  117.520   10.884  175.434   31.578  237.538   50.678  136.016   40.375  135.947   15.188  102.139   16.383 33.80785 22.34009 
1 1 1    6   28   27 o  264.437   12.762  883.932   84.274  1110.62  143.788  765.313  104.011  293.318   19.746  244.293   17.159 49.02577 26.15919 
1 1 1    6   28   28 o  165.428   11.963  347.188   49.085  503.895   81.019  256.315   61.696  198.178   16.522  140.481   18.001 57.69778 24.43367 
1 1 1    6   29    0 o  108.531   12.603  152.120   33.521  146.364   43.494  160.540   52.608  104.980   17.186  108.974   20.072 -3.994095 26.42398 
1 1 1    6   29    1 f   62.503   15.612   52.241   24.295   68.314   29.305   16.912   43.446   71.318   16.742   52.023   21.209 19.29521 27.02007 
1 1 1    6   29    2 o  111.103   17.047  162.959   45.786  219.725   51.602 -47.1424   99.274  129.607   16.304   62.007   28.405 67.60040 32.75210 
1 1 1    6   29    3 o   57.263   14.952   43.576   21.611   37.068   25.311   61.087   41.518   53.736   16.909   68.237   21.677 -14.50062 27.49176 
1 1 1    6   29    4 o  275.677   13.522  969.096   93.089  1028.09  152.391  933.976  117.576  278.419   22.100  268.160   17.657 10.25903 28.28735 
1 1 1    6   29    5 f  235.083   12.426  703.889   72.687  723.623  116.741  691.396   92.889  234.700   20.113  231.411   16.176 3.289093 25.81073 
1 1 1    6   29    6 o  279.945   12.530  995.333   87.595  896.364  143.178  1054.53  110.737  260.182   22.251  286.466   15.538 -26.28479 27.13916 
1 1 1    6   29    7 o  402.974   30.163  2232.58  301.327   0.0000   0.0000  2232.58  301.327  ?   ?   402.974   30.163 0.000000 30.16282 
1 1 1    6   29    8 o  136.182   11.092  236.004   37.394  226.823   54.522  244.158   51.385  131.848   16.952  137.414   15.231 -5.566284 22.78917 
1 1 1    6   29    9 o  232.558   11.191  683.848   64.993  584.462  104.522  746.497   82.986  211.263   20.053  241.821   13.800 -30.55832 24.34204 
1 1 1    6   29   10 o  359.585   14.922  1650.00  133.994  1640.91  227.225  1654.85  165.911  350.066   26.183  357.523   18.648 -7.457581 32.14449 
1 1 1    6   29   11 o  356.785   18.702  1647.17  166.050  1690.64  230.624  1600.37  239.274  355.626   26.153  344.245   28.079 11.38104 38.37160 
1 1 1    6   29   12 o  134.372   11.489  229.858   38.182  288.109   58.511  186.657   50.389  149.335   15.936  119.429   17.407 29.90629 23.60037 
1 1 1    6   29   13 f   72.181   12.406   67.768   21.556   59.181   28.526   79.200   32.914   66.697   17.059   77.094   17.497 -10.39800 24.43663 
1 1 1    6   29   14 o   82.533   11.231   87.550   22.546   60.384   30.572  119.938   33.381   67.375   17.876   96.120   14.346 -28.74559 22.92085 
1 1 1    6   29   15 o  149.561   10.689  283.533   39.657  304.816   62.952  269.530   51.064  153.510   16.691  144.942   14.294 8.568008 21.97515 
1 1 1    6   29   16 f  151.700   19.087  300.698   70.705   0.0000   0.0000  300.698   70.705  ?   ?   151.700   19.087 0.000000 19.08688 
1 1 1    6   29   17 o  195.651   13.737  488.023   66.690   0.0000   0.0000  488.023   66.690  ?   ?   195.651   13.737 0.000000 13.73704 
1 1 1    6   29   18 o  185.066   18.223  443.612   83.125  443.612   83.125   0.0000   0.0000  185.066   18.223  ?   ?  0.000000 18.22329 
1 1 1    6   29   19 o  261.143   12.380  862.497   80.736  1068.70  138.282  755.854   99.446  287.455   19.377  242.747   16.503 44.70807 25.45240 
1 1 1    6   29   20 o  250.191   14.729  798.284   91.618  859.218  128.645  735.571  130.510  257.285   20.185  236.933   22.321 20.35182 30.09428 
1 1 1    6   29   21 o  180.704   10.455  412.727   46.978  596.576   80.315  317.110   57.920  216.107   14.975  157.259   14.928 58.84843 21.14454 
1 1 1    6   29   22 o  227.688   11.470  655.867   65.008  732.172  111.414  616.481   80.046  238.017   18.900  219.811   14.667 18.20546 23.92373 
1 1 1    6   29   23 o  199.659   10.594  503.651   52.630  779.275   91.486  367.318   64.343  247.180   14.891  169.237   15.393 77.94235 21.41708 
1 1 1    6   29   24 f  156.658   12.898  312.571   50.008   0.0000   0.0000  312.571   50.008  ?   ?   156.658   12.898 0.000000 12.89764 
1 1 1    6   29   25 o  349.763   13.364  1549.58  116.725  2283.46  202.380  1183.76  142.885  421.375   19.233  302.972   18.982 118.4031 27.02238 
1 1 1    6   29   26 o  242.658   12.324  746.131   74.432  953.587  126.407  636.027   92.089  271.913   18.730  222.607   16.688 49.30586 25.08584 
1 1 1    6   29   27 o  240.991   12.528  736.369   75.136  1111.68  127.867  538.435   92.859  294.245   17.481  204.084   18.419 90.16107 25.39360 
1 1 1    6   29   28 f  127.648   11.128  207.040   35.118  265.416   54.736  166.200   45.783  143.592   15.511  112.936   16.741 30.65532 22.82212 
1 1 1    6   29   29 o   91.384   15.305  109.027   33.691   0.0000   0.0000  109.027   33.691  ?   ?    91.384   15.305 0.000000 15.30505 
1 1 1    6   30    0 f  170.301   18.537  385.122   77.559   0.0000   0.0000  385.122   77.559  ?   ?   170.301   18.537 0.000000 18.53698 
1 1 1    6   30    1 o  176.126   11.606  396.592   50.758  349.274   72.568  441.914   71.021  162.480   18.198  184.282   15.579 -21.80182 23.95559 
1 1 1    6   30    2 o  138.716   12.596  247.478   43.158  275.582   60.077  217.509   62.039  144.815   16.933  127.087   20.226 17.72775 26.37834 
1 1 1    6   30    3 o  180.913   11.652  417.754   52.361  375.822   76.711  454.334   71.648  168.777   18.504  187.187   15.466 -18.40935 24.11681 
1 1 1    6   30    4 o  273.662   17.447  975.321  118.609  1074.35  157.138  844.186  180.823  283.587   22.371  244.778   30.224 38.80907 37.60250 
1 1 1    6   30    5 o  137.789   12.751  243.783   43.377  319.167   63.096  176.227   59.730  156.517   16.386  113.855   21.802 42.66176 27.27343 
1 1 1    6   30    6 o  229.243   12.800  671.067   72.981  748.782  116.806  621.300   93.472  238.623   19.780  218.570   17.266 20.05324 26.25594 
1 1 1    6   30    7 o  249.430   12.405  790.779   77.267  777.646  124.864  798.927   98.361  242.751   20.799  248.839   15.912 -6.088394 26.18766 
1 1 1    6   30    8 f  176.255   13.245  397.682   57.871  416.529   78.164  374.817   86.094  178.699   17.751  168.021   20.976 10.67751 27.47884 
1 1 1    6   30    9 o   72.244   20.587   70.062   38.942   0.0000   0.0000   70.062   38.942  ?   ?    72.244   20.587 0.000000 20.58681 
1 1 1    6   30   10 o   92.061   12.431  109.419   27.848  125.988   38.058   90.325   40.856   97.912   16.127   81.730   20.147 16.18219 25.80636 
1 1 1    6   30   11 o  109.665   11.757  153.998   31.695  173.789   45.348  135.098   44.316  115.376   16.185  100.863   18.267 14.51298 24.40586 
1 1 1    6   30   12 o  180.601   11.394  414.234   51.125  459.356   81.475  384.928   65.661  188.124   17.546  172.869   15.371 15.25481 23.32619 
1 1 1    6   30   13 o  131.384   14.018  222.105   45.282  257.893   56.697  159.069   75.247  140.952   16.415  106.814   27.904 34.13850 32.37427 
1 1 1    6   30   14 o  173.843   10.969  383.262   47.373  386.630   75.389  381.064   60.899  172.491   17.756  172.425   14.272 0.6625366E-01 22.78047 
1 1 1    6   30   15 o  255.951   12.242  829.791   78.247  840.690  131.085  823.758   97.528  253.445   20.898  253.501   15.480 -0.5635071E-01 26.00729 
1 1 1    6   30   16 o  193.691   14.030  479.506   67.399   0.0000   0.0000  479.506   67.399  ?   ?   193.691   14.030 0.000000 14.02960 
1 1 1    6   30   17 o  128.561   17.215  215.481   53.880  215.481   53.880   0.0000   0.0000  128.561   17.215  ?   ?  0.000000 17.21509 
1 1 1    6   30   18 o  231.584   14.599  685.288   83.996   0.0000   0.0000  685.288   83.996  ?   ?   231.584   14.599 0.000000 14.59922 
1 1 1    6   30   19 o  154.626   10.531  302.886   40.422  301.458   66.481  303.724   50.914  152.260   17.822  154.173   13.356 -1.913651 22.27158 
1 1 1    6   30   20 o  154.881   10.665  303.959   40.998  347.136   69.022  280.420   50.962  163.778   17.130  147.953   13.958 15.82468 22.09675 
1 1 1    6   30   21 o  175.436   10.708  389.603   46.685  523.680   79.621  319.362   57.630  201.949   15.917  157.748   14.803 44.20117 21.73675 
1 1 1    6   30   22 f  178.928   12.936  407.655   57.413  451.841   81.011  363.067   81.378  186.948   17.559  166.557   19.963 20.39056 26.58641 
1 1 1    6   30   23 o  286.157   12.812  1037.17   91.551  1414.05  158.264  847.633  112.236  330.681   19.249  256.516   17.628 74.16504 26.10137 
1 1 1    6   30   24 o  206.428   10.869  539.016   55.832  773.710   96.424  420.643   68.480  245.781   15.794  181.095   15.286 64.68620 21.97960 
1 1 1    6   30   25 o  127.415   10.710  206.147   33.762  332.353   56.768  137.076   41.997  161.122   14.256  102.211   17.055 58.91103 22.22849 
1 1 1    6   30   26 o  223.541   11.457  632.740   63.740  1000.07  107.919  435.958   78.989  279.656   15.514  183.656   17.432 96.00060 23.33595 
1 1 1    6   30   27 o  156.600   11.305  311.231   43.912  475.465   72.160  214.648   55.337  192.634   15.122  128.218   17.760 64.41615 23.32592 
1 1 1    6   30   28 o   96.243   12.011  118.903   28.238  150.486   41.444   91.533   38.580  107.477   15.923   82.698   19.071 24.77897 24.84490 
1 1 1    6   30   29 o  199.728   12.165  506.726   60.386  717.503   99.597  384.202   75.935  235.998   17.014  172.012   17.942 63.98625 24.72659 
1 1 1    6   30   30 f  139.958   19.447  257.756   66.131   0.0000   0.0000  257.756   66.131  ?   ?   139.958   19.447 0.000000 19.44705 
1 1 1    6   31    0 o   58.008   16.173   45.408   24.308   47.330   28.241   39.917   47.746   59.310   17.713   60.334   22.936 -1.023251 28.97901 
1 1 1    6   31    1 o  162.141   22.289  361.195   87.860   0.0000   0.0000  361.195   87.860  ?   ?   162.141   22.289 0.000000 22.28878 
1 1 1    6   31    2 o  254.464   13.086  832.964   82.875  805.399  130.255  851.712  107.423  244.169   21.585  254.793   16.981 -10.62338 27.46356 
1 1 1    6   31    3 o   82.720   14.711   90.647   29.275  105.975   36.378   62.476   49.317   88.854   17.014   69.415   23.701 19.43940 29.17566 
1 1 1    6   31    4 o  210.956   12.438  570.064   65.233  581.559  100.793  561.779   85.572  209.312   19.508  207.355   16.667 1.957062 25.65825 
1 1 1    6   31    5 o  137.660   14.150  245.573   47.951  213.495   54.110  362.902  103.485  127.021   17.526  161.133   26.650 -34.11180 31.89634 
1 1 1    6   31    6 o  122.626   12.739  193.777   38.441  236.307   53.764  149.294   54.985  134.282   16.372  104.366   21.801 29.91633 27.26404 
1 1 1    6   31    7 o  257.648   12.827  846.615   82.526  856.091  133.976  840.821  104.759  253.687   21.347  254.506   16.574 -0.8187408 27.02540 
1 1 1    6   31    8 o  294.510   13.090  1106.35   96.266  1025.97  158.411  1153.41  121.216  276.705   23.138  298.568   16.320 -21.86346 28.31419 
1 1 1    6   31    9 o  133.432   12.973  228.859   42.679  341.512   63.571  136.417   57.587  162.196   15.900   99.382   23.562 62.81435 28.42514 
1 1 1    6   31   10 o  252.585   22.279  848.705  139.085   0.0000   0.0000  848.705  139.085  ?   ?   252.585   22.279 0.000000 22.27889 
1 1 1    6   31   11 f  148.421   10.873  280.230   40.021  253.557   59.381  302.428   54.172  139.102   17.481  153.209   14.326 -14.10663 22.60098 
1 1 1    6   31   12 o  233.234   11.395  689.136   66.367  610.108  107.523  737.774   84.353  215.331   20.233  240.009   14.137 -24.67780 24.68261 
1 1 1    6   31   13 o  282.276   12.827  1012.86   90.415  972.025  150.840  1035.76  112.956  270.802   22.510  283.636   16.013 -12.83408 27.62440 
1 1 1    6   31   14 o   97.594   15.392  124.668   36.268  166.069   43.994   36.841   64.076  112.736   16.083   65.896   26.137 46.83970 30.68889 
1 1 1    6   31   15 o  272.359   16.070  954.404  108.811   0.0000   0.0000  954.404  108.811  ?   ?   272.359   16.070 0.000000 16.06975 
1 1 1    6   31   16 o  336.578   25.499  1516.32  212.724  1516.32  212.724   0.0000   0.0000  336.578   25.499  ?   ?  0.000000 25.49862 
1 1 1    6   31   17 o  127.691   11.082  207.616   34.987  236.131   54.711  187.887   45.508  134.713   16.616  120.288   15.512 14.42461 22.73089 
1 1 1    6   31   18 o  107.267   12.032  147.488   31.674  274.724   50.312   63.948   40.767  146.291   13.941   69.717   21.382 76.57393 25.52496 
1 1 1    6   31   19 o  181.344   19.826  430.969   88.322   0.0000   0.0000  430.969   88.322  ?   ?   181.344   19.826 0.000000 19.82647 
1 1 1    6   31   20 f  126.645   11.259  204.279   35.237  385.902   59.323  105.266   43.801  173.679   13.792   88.403   20.273 85.27629 24.51946 
1 1 1    6   31   21 o  237.508   11.782  713.820   69.878  786.878  119.942  676.283   85.975  245.751   19.710  229.753   15.069 15.99771 24.81060 
1 1 1    6   31   22 o  129.003   10.783  211.529   34.419  278.589   57.739  174.564   42.868  146.765   16.014  116.048   15.155 30.71661 22.04804 
1 1 1    6   31   23 o  116.356   13.129  173.902   37.480  201.915   52.719  145.274   53.294  124.254   17.473  103.924   21.253 20.32969 27.51356 
1 1 1    6   31   24 o   59.825   15.326   47.411   22.999   72.867   35.372   28.768   30.270   73.750   19.066   51.185   18.480 22.56470 26.55258 
1 1 1    6   31   25 o  136.008   10.833  235.001   36.487  392.200   61.416  149.251   45.360  175.008   14.175  106.451   17.684 68.55731 22.66414 
1 1 1    6   31   26 o  101.804   11.888  132.883   29.653  148.136   46.237  122.227   38.646  105.893   18.138   96.380   16.660 9.512863 24.62782 
1 1 1    6   31   27 o  195.388   13.903  488.078   67.393  796.706   94.781  172.484   95.845  249.296   15.299  110.378   32.551 138.9181 35.96660 
1 1 1    6   31   28 o  227.440   12.535  658.082   70.921  1002.24  119.058  468.798   88.295  278.684   17.192  189.520   18.909 89.16319 25.55602 
1 1 1    6   31   29 o  116.511   11.909  173.731   34.163  247.127   51.241  115.001   45.836  138.279   15.084   92.296   20.428 45.98318 25.39305 
1 1 1    6   31   30 o  144.092   11.603  264.712   41.396  318.635   62.897  223.503   54.985  156.690   16.314  130.637   17.279 26.05339 23.76326 
1 1 1    6   32    0 o  175.145   12.542  399.070   54.493  387.091   77.231  410.947   76.900  168.484   18.670  174.195   17.934 -5.711533 25.88852 
1 1 1    6   32    1 o   44.629   15.513   24.066   21.165   23.277   23.808   27.042   46.220   45.185   16.378   55.215   22.101 -10.03002 27.50775 
1 1 1    6   32    2 o  104.643   13.967  144.178   35.586  131.613   43.078  171.177   63.147   98.182   18.242  109.429   23.787 -11.24697 29.97636 
1 1 1    6   32    3 o   53.629   21.659   22.331   44.824   0.0000   0.0000   22.331   44.824  ?   ?    53.629   21.659 0.000000 21.65899 
1 1 1    6   32    4 o  140.423   11.887  253.859   41.291  221.353   56.262  291.806   60.788  128.564   18.019  148.561   16.673 -19.99687 24.54992 
1 1 1    6   32    5 f  121.734   12.519  191.581   37.516  198.694   50.767  183.024   55.684  122.264   17.095  116.040   19.935 6.224754 26.26095 
1 1 1    6   32    6 o  226.920   13.077  661.957   73.788  737.107  116.549  611.684   95.325  235.071   20.046  215.436   17.881 19.63513 26.86193 
1 1 1    6   32    7 o  121.895   14.909  194.154   44.435  192.949   50.512  198.277   93.441  120.627   17.261  115.660   31.500 4.966743 35.91931 
1 1 1    6   32    8 o  160.198   12.011  328.717   47.699  351.341   70.964  310.071   64.422  163.330   17.681  153.604   17.084 9.725266 24.58664 
1 1 1    6   32    9 o  160.454   11.988  329.503   47.686  352.817   71.340  310.673   64.114  163.774   17.727  153.911   16.963 9.862503 24.53522 
1 1 1    6   32   10 o   83.366   13.978   91.242   28.069  105.568   36.590   70.755   43.757   88.888   17.105   72.490   22.138 16.39845 27.97666 
1 1 1    6   32   11 o  419.083   32.029  2491.41  332.650   0.0000   0.0000  2491.41  332.650  ?   ?   419.083   32.029 0.000000 32.02860 
1 1 1    6   32   12 o  170.552   12.488  372.145   52.817  510.969   83.474  279.459   68.207  198.070   17.042  145.170   19.293 52.89932 25.74192 
1 1 1    6   32   13 o  364.601   15.131  1706.24  137.761  1657.28  233.887  1732.26  170.469  348.246   27.108  364.262   18.805 -16.01620 32.99221 
1 1 1    6   32   14 o  284.905   16.445  1049.32  116.500   0.0000   0.0000  1049.32  116.500  ?   ?   284.905   16.445 0.000000 16.44470 
1 1 1    6   32   15 o  259.461   12.728  856.464   82.467  895.779  136.634  833.936  103.430  260.375   21.198  254.001   16.394 6.373108 26.79787 
1 1 1    6   32   16 o  136.629   11.963  238.612   40.404  322.271   62.477  178.472   52.972  157.589   16.102  115.874   18.963 41.71464 24.87716 
1 1 1    6   32   17 o  118.694   11.331  179.991   33.177  181.516   51.067  178.876   43.641  117.244   18.019  117.261   15.266 -0.1615906E-01 23.61588 
1 1 1    6   32   18 o  152.996   10.985  297.632   41.690  316.342   67.707  286.206   52.909  155.583   17.744  149.056   14.394 6.527283 22.84808 
1 1 1    6   32   19 o   91.464   12.561  108.122   27.932  133.192   43.975   91.168   36.165  100.066   18.272   82.493   18.057 17.57297 25.68840 
1 1 1    6   32   20 o  142.202   20.377  268.333   70.290   0.0000   0.0000  268.333   70.290  ?   ?   142.202   20.377 0.000000 20.37653 
1 1 1    6   32   21 o  162.491   11.006  335.415   44.397  363.537   75.175  320.353   55.016  166.755   18.357  157.919   14.099 8.836746 23.14658 
1 1 1    6   32   22 o  192.376   11.150  469.714   53.337  495.890   90.623  455.841   65.973  194.821   18.864  188.586   14.111 6.235260 23.55772 
1 1 1    6   32   23 o  220.314   14.486  622.070   79.253  684.271  110.372  555.864  113.870  228.779   19.506  204.419   22.690 24.35989 29.92138 
1 1 1    6   32   24 o  158.591   13.303  322.093   52.197  362.552   72.731  279.123   74.954  166.773   17.736  144.692   21.389 22.08055 27.78606 
1 1 1    6   32   25 o   95.027   12.752  116.663   29.498  178.100   47.857   79.021   37.460  116.538   16.941   76.550   19.532 39.98837 25.85515 
1 1 1    6   32   26 o  200.962   11.033  512.489   55.157  807.414   93.642  355.801   68.254  250.779   15.022  165.505   16.745 85.27457 22.49580 
1 1 1    6   32   27 f   53.322   16.201   36.854   23.477   59.530   34.949   18.205   31.693   66.902   19.635   47.152   18.483 19.74983 26.96559 
1 1 1    6   32   28 o  153.105   13.490  301.070   51.048  552.642   71.714   42.665   72.682  207.609   13.913   69.801   27.789 137.8077 31.07757 
1 1 1    6   32   29 o  104.371   12.568  140.513   32.098  173.809   46.324  109.762   44.518  114.996   16.613   89.877   20.313 25.11913 26.24134 
1 1 1    6   32   30 o  193.729   12.283  479.575   59.116  681.766   95.672  354.700   75.187  228.939   16.853  163.955   18.698 64.98404 25.17250 
1 1 1    6   32   31 o  253.645   13.299  825.002   83.941  1001.69  139.204  724.043  105.224  274.797   20.432  234.964   18.072 39.83344 27.27731 
1 1 1    6   33    0 o  187.321   12.126  459.764   56.418  375.137   79.535  545.469   80.040  162.764   19.988  200.583   16.116 -37.81877 25.67578 
1 1 1    6   33    1 o   87.888   14.365  104.179   30.438   90.060   36.991  133.786   53.565   79.621   18.889   95.163   22.833 -15.54123 29.63330 
1 1 1    6   33    2 o  162.783   11.805  344.214   47.659  287.369   66.145  405.589   68.729  144.469   18.779  174.048   15.992 -29.57893 24.66564 
1 1 1    6   33    3 o  164.342   12.019  350.239   48.982  312.102   69.028  388.918   69.517  151.213   18.677  170.490   16.536 -19.27663 24.94574 
1 1 1    6   33    4 o   96.680   25.519  137.684   62.512   0.0000   0.0000  137.684   62.512  ?   ?    96.680   25.519 0.000000 25.51896 
1 1 1    6   33    5 o  108.813   13.092  154.831   34.859  151.158   45.566  160.014   54.130  105.499   17.938  107.133   20.984 -1.633530 27.60597 
1 1 1    6   33    6 o  223.035   12.547  641.213   69.597  635.525  107.873  645.269   91.091  216.804   20.156  221.168   16.614 -4.364212 26.12070 
1 1 1    6   33    7 f  149.932   11.952  289.425   44.378  267.192   62.748  311.674   62.772  141.258   18.213  153.525   16.640 -12.26689 24.66941 
1 1 1    6   33    8 f  298.206   17.290  1169.19  128.198  1170.16  171.677  1167.98  192.747  291.950   23.754  287.795   27.140 4.155334 36.06705 
1 1 1    6   33    9 o  288.698   12.751  1067.72   91.925  915.317  149.398  1160.58  116.613  258.913   23.358  298.691   15.689 -39.77841 28.13821 
1 1 1    6   33   10 o  130.786   11.517  219.491   37.231  180.758   51.983  260.286   53.349  116.077   18.559  141.098   15.391 -25.02148 24.11019 
1 1 1    6   33   11 o  237.425   12.218  721.138   72.196  679.441  116.292  747.286   92.091  225.329   20.905  240.001   15.448 -14.67206 25.99374 
1 1 1    6   33   12 o  108.835   12.270  152.855   32.765  140.801   45.548  165.782   47.169  102.354   18.501  111.651   17.492 -9.296967 25.46127 
1 1 1    6   33   13 o  143.764   21.116  278.619   73.550   0.0000   0.0000  278.619   73.550  ?   ?   143.764   21.116 0.000000 21.11630 
1 1 1    6   33   14 o  211.919   11.340  572.014   59.794  492.915   95.203  623.544   76.841  192.640   20.086  220.144   14.051 -27.50365 24.51251 
1 1 1    6   33   15 o  186.967   11.893  446.293   55.237  510.793   88.523  405.166   70.687  197.285   18.173  176.435   16.226 20.84999 24.36226 
1 1 1    6   33   16 o  188.538   11.833  453.527   55.429  535.247   90.280  404.084   70.223  202.122   18.077  176.299   16.129 25.82294 24.22701 
1 1 1    6   33   17 o  165.011   14.491  351.467   59.109  484.601   80.033  191.699   87.673  192.944   16.778  115.329   30.116 77.61480 34.47398 
1 1 1    6   33   18 o  280.389   12.835  1001.81   89.869  962.827  152.469  1022.56  111.248  268.196   22.988  281.365   15.898 -13.16873 27.95000 
1 1 1    6   33   19 o  335.672   14.405  1442.87  120.751  1546.69  207.642  1389.81  148.430  338.724   24.719  326.525   18.277 12.19968 30.74184 
1 1 1    6   33   20 o  140.488   11.525  252.024   40.076  417.298   67.745  163.047   49.706  179.691   15.241  110.617   18.658 69.07494 24.09193 
1 1 1    6   33   21 o   83.562   14.847   91.980   29.846  200.348   50.993   35.510   36.810  123.495   16.985   56.182   20.364 67.31271 26.51763 
1 1 1    6   33   22 o  226.992   11.854  656.028   66.962  697.567  114.780  634.596   82.446  229.978   20.191  221.979   14.960 7.999069 25.12913 
1 1 1    6   33   23 o   96.427   12.803  120.357   30.068  210.865   50.002   69.093   37.631  127.036   16.125   71.572   20.183 55.46369 25.83334 
1 1 1    6   33   24 o  307.092   13.574  1204.31  104.095  1364.33  179.090  1122.67  127.924  320.004   22.556  293.876   17.511 26.12811 28.55501 
1 1 1    6   33   25 f   88.982   16.359  105.091   35.010  122.334   46.672   82.904   52.942   94.929   20.303   78.323   24.424 16.60632 31.76044 
1 1 1    6   33   26 f  258.232   12.641  849.757   81.517  1300.67  139.445  615.662  100.473  315.968   17.745  216.491   18.771 99.47649 25.83052 
1 1 1    6   33   27 o  133.793   11.719  229.229   38.758  393.210   62.954  129.142   49.183  174.447   14.585   97.265   20.874 77.18224 25.46464 
1 1 1    6   33   28 o  111.778   12.298  161.072   33.759  249.158   52.458   98.803   44.106  138.208   15.464   84.807   20.949 53.40087 26.03869 
1 1 1    6   33   29 o   64.105   17.240   55.374   28.199   94.695   36.520  -2.6895   44.378   83.666   18.012   46.791   20.350 36.87505 27.17667 
1 1 1    6   33   30 o  207.794   12.754  554.565   65.861  809.762  107.336  400.464   83.409  248.391   17.415  173.101   19.643 75.28983 26.25135 
1 1 1    6   33   31 o  318.969   17.707  1338.94  140.483  1359.91  192.928  1315.29  204.963  313.892   24.815  305.904   27.112 7.988251 36.75420 
1 1 1    6   33   32 o   67.446   14.066   60.770   22.924   77.177   28.294   29.422   39.111   75.803   15.471   53.987   20.702 21.81585 25.84421 
1 1 1    6   34    0 f  418.597   16.753  2439.30  175.118  1948.96  288.846  2724.28  220.203  316.077   37.315  431.674   20.428 -115.5972 42.54019 
1 1 1    6   34    1 o   81.223   18.873   96.146   37.550  113.222   40.035 -28.6963  108.251   88.423   18.715   60.319   28.316 28.10375 33.94139 
1 1 1    6   34    2 o   74.491   16.078   77.637   29.030   92.087   35.223   47.032   51.262   80.314   18.007   61.108   23.630 19.20589 29.70877 
1 1 1    6   34    3 o  149.721   11.955  293.711   44.324  235.119   60.047  363.856   65.701  129.214   19.192  163.577   16.301 -34.36301 25.18098 
1 1 1    6   34    4 o  159.502   12.192  332.542   48.194  301.387   67.648  364.651   68.678  147.407   18.806  163.692   17.051 -16.28491 25.38524 
1 1 1    6   34    5 o   62.820   16.748   54.685   26.753   32.646   30.869  121.198   53.627   51.771   18.666   90.613   23.501 -38.84222 30.01202 
1 1 1    6   34    6 o   68.959   16.138   65.338   27.298   70.983   33.494   54.169   47.110   71.202   18.624   64.423   23.078 6.778969 29.65575 
1 1 1    6   34    7 o  162.609   11.702  341.759   47.199  283.629   67.023  398.949   66.479  144.057   19.102  173.605   15.498 -29.54805 24.59821 
1 1 1    6   34    8 o  178.849   11.335  411.553   50.361  319.917   73.176  494.014   69.416  153.145   19.583  194.296   14.409 -41.15167 24.31290 
1 1 1    6   34    9 f  151.694   14.795  302.086   55.332  294.159   65.680  321.466  102.699  147.889   18.167  147.193   28.972 0.6959381 34.19638 
1 1 1    6   34   10 o  179.652   11.494  414.457   51.296  350.608   76.450  466.740   69.180  161.111   19.391  189.028   14.773 -27.91745 24.37770 
1 1 1    6   34   11 o  110.841   12.656  159.620   34.402  154.701   47.594  165.003   49.784  106.833   18.511  110.304   18.745 -3.470612 26.34408 
1 1 1    6   34   12 o  179.087   11.362  410.812   50.549  345.386   77.425  459.418   66.735  160.084   19.789  188.064   14.318 -27.98012 24.42559 
1 1 1    6   34   13 o  137.842   12.077  244.652   41.152  255.079   60.574  235.714   56.079  138.335   17.959  133.224   17.262 5.110901 24.91002 
1 1 1    6   34   14 o   68.846   24.149   60.333   51.340   0.0000   0.0000   60.333   51.340  ?   ?    68.846   24.149 0.000000 24.14857 
1 1 1    6   34   15 o  111.978   12.436  162.134   34.187  162.517   50.114  161.801   46.755  109.742   18.973  110.043   17.608 -0.3013687 25.88472 
1 1 1    6   34   16 o  263.534   12.799  888.714   84.229  916.550  141.259  873.357  104.921  260.898   21.884  258.845   16.315 2.053345 27.29655 
1 1 1    6   34   17 o  230.413   12.068  678.972   69.198  674.566  115.472  681.440   86.437  224.519   20.833  229.264   15.184 -4.744827 25.77904 
1 1 1    6   34   18 o  211.564   14.859  579.480   78.003  692.352  107.619  454.555  113.220  228.836   19.005  180.913   25.791 47.92273 32.03722 
1 1 1    6   34   19 o  261.440   12.761  873.572   83.310  1110.48  142.665  750.978  102.626  289.504   19.854  239.581   17.269 49.92247 26.31353 
1 1 1    6   34   20 o  178.455   11.556  406.858   51.220  594.896   87.467  308.723   63.188  213.553   16.530  153.370   16.772 60.18282 23.54885 
1 1 1    6   34   21 o  281.762   12.979  1015.25   91.324  925.295  156.589  1061.62  112.424  260.504   24.354  286.116   15.796 -25.61209 29.02790 
1 1 1    6   34   22 o  242.044   12.077  746.874   72.999  664.542  125.385  789.091   89.784  221.489   23.005  247.225   14.608 -25.73595 27.25112 
1 1 1    6   34   23 o  129.788   22.341  230.519   69.798   0.0000   0.0000  230.519   69.798  ?   ?   129.788   22.341 0.000000 22.34136 
1 1 1    6   34   24 o  225.001   12.055  647.404   67.488  822.751  115.067  555.459   83.323  249.819   18.578  206.336   16.304 43.48337 24.71746 
1 1 1    6   34   25 f   88.341   13.973  102.533   29.799   53.700   46.531  136.488   38.800   65.579   22.990  101.586   15.809 -36.00626 27.90125 
1 1 1    6   34   26 o  150.526   14.321  294.312   53.184  330.634   71.439  249.151   79.657  157.675   18.495  133.378   24.830 24.29691 30.96087 
1 1 1    6   34   27 o  171.434   11.785  376.831   50.145  607.963   81.900  238.226   63.423  216.148   15.272  132.858   19.714 83.28987 24.93759 
1 1 1    6   34   28 o   81.211   15.217   88.022   29.727  178.661   44.605   15.600   39.872  116.292   15.766   49.592   20.279 66.69984 25.68678 
1 1 1    6   34   29 o   71.212   16.077   68.598   27.913  113.937   39.423   23.018   39.527   91.628   17.871   51.839   20.539 39.78848 27.22553 
1 1 1    6   34   30 o   42.941   16.262   18.324   23.945   44.176   28.976 -37.3387   42.519   57.707   18.081   38.040   17.822 19.66692 25.38767 
1 1 1    6   34   31 o  130.579   13.112  221.999   42.178  349.523   62.622  116.116   57.061  162.854   15.589   89.643   24.700 73.21118 29.20781 
1 1 1    6   34   32 o   58.259   16.531   46.052   25.164   55.365   26.797 -23.4522   73.207   63.622   16.667   54.406   24.719 9.215096 29.81327 
1 1 1    6   34   33 o   66.907   21.030   61.879   39.165   0.0000   0.0000   61.879   39.165  ?   ?    66.907   21.030 0.000000 21.03006 
1 1 1    6   35    0 o   82.885   15.425   98.730   30.752   78.329   36.836  145.647   55.862   70.568   19.993   92.997   23.919 -22.42925 31.17394 
1 1 1    6   35    1 o  145.080   12.648  284.897   45.365  230.014   60.081  357.685   69.190  123.289   20.215  156.781   17.999 -33.49164 27.06708 
1 1 1    6   35    2 o   89.699   17.670  116.896   38.172  118.658   40.860  104.804  107.024   89.523   18.872   76.726   32.439 12.79739 37.52948 
1 1 1    6   35    3 o   83.902   15.242   98.270   30.759   96.112   37.611  102.629   53.448   80.747   18.974   79.877   24.480 0.8702393 30.97228 
1 1 1    6   35    4 o   81.545   15.212   92.292   29.838   89.870   36.599   97.092   51.523   78.473   18.901   78.740   24.017 -0.2665329 30.56311 
1 1 1    6   35    5 o   97.353   13.613  127.664   32.190  102.994   40.262  171.372   53.591   84.163   19.533  108.517   20.528 -24.35494 28.33636 
1 1 1    6   35    6 o   44.709   15.578   24.981   21.348   0.3765   24.116  114.085   45.893   34.959   15.102   88.141   21.126 -53.18147 25.96896 
1 1 1    6   35    7 o   86.996   25.920  116.767   60.528   0.0000   0.0000  116.767   60.528  ?   ?    86.996   25.920 0.000000 25.91966 
1 1 1    6   35    8 f  178.509   12.120  415.314   53.709  388.445   79.614  437.756   72.760  167.292   19.419  180.274   16.340 -12.98221 25.37857 
1 1 1    6   35    9 o   85.660   14.246   98.466   29.403   67.720   37.498  147.545   47.377   69.148   20.351  102.770   19.166 -33.62200 27.95516 
1 1 1    6   35   10 o  125.349   11.882  204.402   36.747  145.012   50.728  269.979   53.305  101.247   20.761  142.490   15.216 -41.24336 25.73988 
1 1 1    6   35   11 o   71.120   17.984   70.239   31.959   59.818   35.263  118.170   75.627   65.694   19.832   88.436   29.345 -22.74202 35.41825 
1 1 1    6   35   12 o   44.756   16.273   22.660   23.531   13.925   28.977   39.573   40.320   43.375   17.451   57.731   21.254 -14.35524 27.49987 
1 1 1    6   35   13 o  110.731   12.833  160.162   34.828  145.985   47.939  176.009   50.684  102.873   19.372  113.632   18.498 -10.75929 26.78524 
1 1 1    6   35   14 o  174.812   11.236  392.601   48.791  318.487   75.396  446.000   63.998  152.600   20.288  184.991   13.956 -32.39041 24.62501 
1 1 1    6   35   15 o  121.326   12.225  190.797   36.535  160.850   54.373  215.446   49.330  107.563   20.996  127.493   15.835 -19.93011 26.29847 
1 1 1    6   35   16 o  122.708   16.976  201.188   50.626   0.0000   0.0000  201.188   50.626  ?   ?   122.708   16.976 0.000000 16.97621 
1 1 1    6   35   17 o  159.496   11.505  326.872   45.515  311.559   73.151  336.545   58.141  151.629   19.791  160.457   14.672 -8.827744 24.63679 
1 1 1    6   35   18 o   77.786   15.437   81.240   28.927  143.385   44.733   36.575   37.924  102.924   18.063   56.300   20.630 46.62433 27.42018 
1 1 1    6   35   19 o   82.104   15.475   90.280   30.565  136.436   48.714   60.312   39.253   99.432   20.306   66.797   21.062 32.63456 29.25634 
1 1 1    6   35   20 o  235.770   15.339  725.605   89.817  887.677  126.148  558.971  127.911  257.262   19.788  198.554   26.456 58.70860 33.03744 
1 1 1    6   35   21 o  132.169   12.072  225.437   39.404  347.343   67.431  162.223   48.557  161.994   16.919  109.518   18.408 52.47615 25.00178 
1 1 1    6   35   22 o  157.694   11.552  319.430   45.175  264.290   77.009  348.361   55.781  137.665   23.227  163.776   13.767 -26.11095 27.00076 
1 1 1    6   35   23 o   82.775   15.409   91.710   30.680   92.863   52.293   91.105   37.884   81.066   24.078   81.335   18.996 -0.2686462 30.66949 
1 1 1    6   35   24 o  205.510   21.861  577.911  110.469   0.0000   0.0000  577.911  110.469  ?   ?   205.510   21.861 0.000000 21.86131 
1 1 1    6   35   25 o  183.306   11.583  431.600   52.748  429.191   87.706  432.965   66.023  177.962   20.087  182.095   14.643 -4.133041 24.85793 
1 1 1    6   35   26 o   74.553   16.133   75.357   29.162   63.488   43.838   84.779   39.058   68.432   22.325   78.031   19.963 -9.598701 29.94860 
1 1 1    6   35   27 f   51.298   17.138   33.459   25.782   77.429   37.800  -4.7897   35.255   74.546   19.924   40.877   17.949 33.66939 26.81614 
1 1 1    6   35   28 o   88.271   18.012  106.887   38.359  115.618   46.315   87.817   68.450   90.689   20.882   79.312   27.880 11.37744 34.83355 
1 1 1    6   35   29 o   73.826   16.026   74.221   28.698  112.854   41.249   37.979   39.952   90.274   18.904   57.043   21.127 33.23056 28.34996 
1 1 1    6   35   30 o   54.239   17.269   39.012   26.339   68.385   35.048   0.8954   39.925   69.956   19.390   44.758   19.384 25.19868 27.41724 
1 1 1    6   35   31 o   77.071   16.644   81.583   31.096  104.894   38.166   35.549   53.633   87.000   18.154   59.875   23.861 27.12509 29.98198 
1 1 1    6   35   32 o  120.961   13.606  193.058   40.384  291.192   57.404   96.896   56.825  147.537   15.828   80.968   25.312 66.56887 29.85374 
1 1 1    6   35   33 o  160.333   14.219  339.979   56.341  329.925   67.387  363.329  102.700  155.639   17.650  154.888   27.562 0.7512970 32.72962 
1 1 1    6   35   34 o   83.096   20.700   99.585   42.795   0.0000   0.0000   99.585   42.795  ?   ?    83.096   20.700 0.000000 20.70018 
1 1 1    6   36    0 o   47.069   21.647   1.2212   58.439   0.0000   0.0000   1.2212   58.439  ?   ?    47.069   21.647 0.000000 21.64745 
1 1 1    6   36    1 o   60.189   16.942   55.254   26.542   32.908   30.577  123.564   53.460   48.740   18.396   83.114   24.253 -34.37408 30.44069 
1 1 1    6   36    2 f   46.425   16.395   29.772   23.694   24.397   26.759   49.285   50.981   44.509   17.110   57.893   23.198 -13.38408 28.82536 
1 1 1    6   36    3 o   61.679   16.498   56.234   25.906   28.118   29.907  140.746   51.851   47.316   18.113   92.991   22.559 -45.67502 28.93066 
1 1 1    6   36    4 o   36.375   15.081   8.6659   22.453   14.110   23.089 -86.0773   96.323   39.036   15.622   49.549   24.139 -10.51268 28.75277 
1 1 1    6   36    5 o   55.930   16.634   45.048   24.944   31.229   29.076   83.571   48.546   49.122   18.054   72.174   23.490 -23.05199 29.62665 
1 1 1    6   36    6 o   64.231   17.157   59.758   28.040   71.073   34.317   37.026   48.640   69.126   19.196   56.284   22.621 12.84220 29.66867 
1 1 1    6   36    7 o  178.878   11.824  422.258   52.519  334.741   76.301  501.055   72.400  151.100   20.771  191.576   15.260 -40.47577 25.77398 
1 1 1    6   36    8 o   79.846   25.876  101.446   58.938   0.0000   0.0000  101.446   58.938  ?   ?    79.846   25.876 0.000000 25.87640 
1 1 1    6   36    9 o  138.785   12.313  254.205   42.229  205.315   60.000  302.195   59.446  118.796   20.993  148.534   16.294 -29.73856 26.57487 
1 1 1    6   36   10 o   57.652   17.013   46.347   26.175   26.387   32.710   81.883   43.644   49.204   18.917   74.382   21.974 -25.17723 28.99505 
1 1 1    6   36   11 o  145.913   11.719  278.089   42.342  211.971   61.233  338.671   58.613  121.613   20.917  159.006   14.937 -37.39317 25.70277 
1 1 1    6   36   12 o  134.013   14.574  239.760   47.987  195.626   56.313  356.800   91.703  117.755   19.857  155.654   24.394 -37.89846 31.45403 
1 1 1    6   36   13 o   63.841   16.886   56.688   27.335   78.614   35.907   26.466   42.156   74.408   19.197   52.967   21.140 21.44122 28.55539 
1 1 1    6   36   14 o   96.096   14.085  123.265   32.796  111.046   46.327  135.542   46.435   87.772   21.342   98.115   19.637 -10.34254 29.00223 
1 1 1    6   36   15 o  189.161   11.612  463.168   54.587  397.121   87.650  505.016   69.770  168.264   21.340  195.742   14.374 -27.47832 25.72912 
1 1 1    6   36   16 o  128.702   12.383  216.133   39.307  263.873   61.582  183.310   51.062  139.104   18.162  115.549   18.306 23.55407 25.78689 
1 1 1    6   36   17 o  227.226   22.776  727.049  127.496   0.0000   0.0000  727.049  127.496  ?   ?   227.226   22.776 0.000000 22.77587 
1 1 1    6   36   18 o   94.048   14.523  118.026   33.009   97.055   52.698  131.568   42.346   81.648   24.153   97.853   17.993 -16.20496 30.11817 
1 1 1    6   36   19 o  122.597   12.659  196.256   38.198  166.836   63.082  213.288   47.999  107.072   24.166  126.524   15.517 -19.45251 28.71903 
1 1 1    6   36   20 o   77.829   16.382   82.756   30.832   84.924   51.045   81.510   38.686   76.963   23.979   76.057   20.075 0.9061508 31.27332 
1 1 1    6   36   21 o   72.638   19.890   74.088   37.137   83.570   51.466   63.788   53.641   76.442   24.119   69.222   24.644 7.219826 34.48233 
1 1 1    6   36   22 o   71.701   16.797   70.684   29.549   57.644   49.861   77.743   36.686   66.440   23.748   74.452   19.500 -8.011177 30.72850 
1 1 1    6   36   23 o  146.624   11.994  278.734   43.532  285.716   74.625  275.133   53.597  142.898   21.585  144.132   15.116 -1.233978 26.35192 
1 1 1    6   36   24 o  242.639   12.350  762.287   74.583  613.226  125.916  842.849   92.569  206.693   24.896  253.314   14.697 -46.62088 28.91043 
1 1 1    6   36   25 o  251.107   23.856  895.415  147.797   0.0000   0.0000  895.415  147.797  ?   ?   251.107   23.856 0.000000 23.85629 
1 1 1    6   36   26 o   73.034   16.559   73.386   29.505   65.110   43.956   80.172   39.804   68.400   22.357   75.137   20.599 -6.736633 30.39990 
1 1 1    6   36   27 o  113.982   13.342  171.178   37.259  194.484   57.209  154.011   49.100  117.948   20.147  105.090   19.425 12.85818 27.98629 
1 1 1    6   36   28 o  138.033   12.608  249.134   42.978  348.115   67.508  181.676   55.731  160.498   17.107  113.620   20.392 46.87826 26.61716 
1 1 1    6   36   29 o   98.895   17.555  134.842   41.766  132.995   49.924  139.149   76.239   96.171   21.345   93.909   29.313 2.262924 36.26105 
1 1 1    6   36   30 o   62.768   17.407   54.935   28.236   94.010   38.336   8.5997   41.746   81.400   19.175   47.319   20.144 34.08168 27.81121 
1 1 1    6   36   31 o   49.148   16.963   30.732   25.283   36.401   32.085   21.444   41.067   53.603   19.062   50.785   20.652 2.818550 28.10479 
1 1 1    6   36   32 o   82.669   16.733   94.907   33.358  128.552   40.434   23.207   59.026   96.149   17.484   57.243   24.140 38.90623 29.80714 
1 1 1    6   36   33 o   70.492   23.747   72.437   49.504   0.0000   0.0000   72.437   49.504  ?   ?    70.492   23.747 0.000000 23.74746 
1 1 1    6   36   34 f  105.093   33.019  194.031   96.558   0.0000   0.0000  194.031   96.558  ?   ?   105.093   33.019 0.000000 33.01894 
1 1 1    6   37    0 o   38.947   15.759   16.992   23.776   8.0314   26.225   58.355   56.345   36.530   15.765   56.707   23.731 -20.17757 28.49043 
1 1 1    6   37    1 o   43.472   16.834   25.181   26.045   23.032   28.587   35.677   63.181   43.192   17.348   53.047   23.623 -9.854336 29.30928 
1 1 1    6   37    2 o   58.223   23.800   57.540   54.895   0.0000   0.0000   57.540   54.895  ?   ?    58.223   23.800 0.000000 23.79978 
1 1 1    6   37    3 o  120.630   13.854  206.547   40.976  165.596   52.900  267.975   64.790   99.372   21.907  128.599   20.892 -29.22681 30.27248 
1 1 1    6   37    4 o   30.496   13.669  -4.4719   21.524 -21.8984   24.001   67.123   48.648   27.616   13.076   62.860   23.307 -35.24436 26.72498 
1 1 1    6   37    5 o   69.335   19.297   75.587   34.636   86.225   36.989  -0.1292   98.681   73.836   19.697   56.769   26.769 17.06611 33.23506 
1 1 1    6   37    6 o   89.419   15.026  113.798   32.362   94.887   40.584  146.822   53.631   77.318   20.635   94.502   22.954 -17.18385 30.86566 
1 1 1    6   37    7 o   37.470   15.344   10.883   22.868   5.9980   26.644   24.548   44.563   37.606   16.053   50.449   21.108 -12.84229 26.51865 
1 1 1    6   37    8 o  103.668   13.426  147.130   33.940   98.799   44.465  214.593   52.534   79.081   21.810  121.738   17.807 -42.65750 28.15593 
1 1 1    6   37    9 o   98.552   13.923  133.302   33.310   72.659   43.556  218.730   51.696   68.395   22.250  123.969   17.159 -55.57328 28.09824 
1 1 1    6   37   10 o   70.069   25.451   76.756   57.543   0.0000   0.0000   76.756   57.543  ?   ?    70.069   25.451 0.000000 25.45149 
1 1 1    6   37   11 o   68.761   19.409   69.840   34.785   89.601   38.525 -17.3665   80.930   77.667   19.803   54.674   25.263 22.99278 32.09951 
1 1 1    6   37   12 o  109.327   13.116  160.336   35.093  118.864   49.004  203.993   50.279   88.406   22.222  120.721   17.161 -32.31440 28.07739 
1 1 1    6   37   13 o   37.160   15.509   6.9297   23.974   12.555   30.270  -2.5380   39.270   42.636   17.579   42.528   18.797 0.1074524 25.73611 
1 1 1    6   37   14 o   73.769   19.130   78.849   35.536   73.780   41.917   91.803   67.003   70.615   21.685   76.866   27.524 -6.251167 35.04019 
1 1 1    6   37   15 o  107.281   13.411  153.820   35.144  143.193   52.473  162.465   47.327   98.382   21.920  107.447   18.294 -9.065483 28.55093 
1 1 1    6   37   16 o  127.226   12.301  213.171   38.594  148.032   59.513  260.444   50.700   98.592   24.323  139.179   14.815 -40.58627 28.47970 
1 1 1    6   37   17 o   54.153   17.678   39.652   27.485   69.572   41.238   15.738   36.867   69.262   21.549   47.062   19.401 22.19949 28.99591 
1 1 1    6   37   18 o  192.854   14.816  496.471   70.807  380.479   98.738  619.273  101.595  158.911   25.764  210.661   19.535 -51.75014 32.33244 
1 1 1    6   37   19 o   64.729   18.293   59.134   30.880   65.124   51.678   55.807   38.511   68.183   24.198   63.239   20.939 4.944328 31.99961 
1 1 1    6   37   20 o  189.372   12.046  467.813   56.669  494.147   96.708  454.043   69.934  186.757   21.107  184.134   15.349 2.623077 26.09781 
1 1 1    6   37   21 o  110.523   13.613  162.453   36.777  167.810   64.433  159.864   44.790  105.435   24.874  107.736   17.229 -2.301140 30.25829 
1 1 1    6   37   22 o  178.612   14.808  425.155   65.450  382.265   91.992  469.122   93.140  162.050   23.412  182.296   20.834 -20.24646 31.33958 
1 1 1    6   37   23 o  135.605   12.396  241.236   41.511  203.476   71.137  260.733   51.117  116.124   25.251  139.572   14.896 -23.44873 29.31740 
1 1 1    6   37   24 o   51.443   18.041   33.651   28.656   14.591   46.307   45.480   36.479   50.730   21.387   58.488   20.365 -7.758480 29.53180 
1 1 1    6   37   25 o   82.351   16.939   94.334   33.671   95.130   53.609   93.815   43.271   79.513   24.541   80.149   21.268 -0.6358948 32.47467 
1 1 1    6   37   26 o  161.055   22.920  377.362   89.579   0.0000   0.0000  377.362   89.579  ?   ?   161.055   22.920 0.000000 22.91980 
1 1 1    6   37   27 o   56.596   18.351   43.843   29.639   45.246   42.890   42.560   41.006   59.395   21.912   57.986   21.419 1.408653 30.64124 
1 1 1    6   37   28 o  123.875   13.222  203.700   40.270  201.886   60.368  205.154   54.055  118.132   21.245  121.088   18.461 -2.956573 28.14500 
1 1 1    6   37   29 o  103.109   14.997  144.342   37.482  200.627   54.204   92.767   51.887  119.351   18.810   78.155   24.148 41.19640 30.60888 
1 1 1    6   37   30 o  148.557   16.026  300.776   58.511  303.305   71.800  295.776  100.954  145.695   20.285  133.136   30.952 12.55936 37.00686 
1 1 1    6   37   31 o   83.035   16.257   96.053   32.504  131.316   44.706   56.509   47.342   95.545   19.400   63.828   23.101 31.71662 30.16607 
1 1 1    6   37   32 o   47.759   20.368   10.948   42.821   0.0000   0.0000   10.948   42.821  ?   ?    47.759   20.368 0.000000 20.36803 
1 1 1    6   37   33 o   56.617   24.012   24.490   58.936   0.0000   0.0000   24.490   58.936  ?   ?    56.617   24.012 0.000000 24.01227 
1 1 1    6   38    0 o   38.336   16.230   15.202   26.851   5.7161   30.213   50.841   58.563   36.558   16.304   52.136   23.004 -15.57753 28.19587 
1 1 1    6   38    1 o   28.122   13.227 -15.5104   23.817 -25.9212   26.450   29.104   54.755   27.600   13.249   48.434   21.749 -20.83347 25.46677 
1 1 1    6   38    2 o   69.663   18.120   80.454   31.821   58.381   37.671  135.427   59.451   57.136   20.618   78.918   26.010 -21.78252 33.19083 
1 1 1    6   38    3 o  116.143   30.690  307.108   90.348   0.0000   0.0000  307.108   90.348  ?   ?   116.143   30.690 0.000000 30.68986 
1 1 1    6   38    4 o   97.357   15.080  140.348   35.478   89.464   44.143  233.171   59.622   70.026   22.363  117.946   21.013 -47.91979 30.68645 
1 1 1    6   38    5 o   24.999   11.894 -20.4349   20.323 -20.4404   22.436 -20.4097   47.972   26.589   12.605   39.788   18.732 -13.19857 22.57835 
1 1 1    6   38    6 o   32.763   14.389   0.6295   22.672 -15.7415   25.704   57.989   48.114   30.042   14.003   58.961   22.867 -28.91978 26.81327 
1 1 1    6   38    7 o   70.093   19.525   78.963   35.446   72.517   38.467  115.221   91.239   66.169   20.849   72.250   30.214 -6.080597 36.70897 
1 1 1    6   38    8 o  104.824   14.410  155.784   36.723  117.869   48.738  205.579   55.855   83.429   22.762  114.484   20.279 -31.05511 30.48522 
1 1 1    6   38    9 o   58.976   18.075   52.869   29.140   48.139   36.690   60.949   47.955   56.507   20.353   61.747   23.092 -5.240540 30.78133 
1 1 1    6   38   10 o   42.909   17.369   18.026   28.895   22.670   30.863 -14.9420   82.233   45.401   18.098   52.781   24.746 -7.379745 30.65759 
1 1 1    6   38   11 o   46.362   20.769   1.1997   49.613   0.0000   0.0000   1.1997   49.613  ?   ?    46.362   20.769 0.000000 20.76896 
1 1 1    6   38   12 o   98.606   14.714  135.722   35.122   85.939   49.139  187.718   50.220   72.549   23.635  113.124   18.410 -40.57529 29.95891 
1 1 1    6   38   13 o   38.377   16.073   8.5983   25.877 -16.8822   33.697   45.227   40.401   35.513   16.371   57.001   21.219 -21.48820 26.80062 
1 1 1    6   38   14 o   72.201   17.233   75.778   30.641   69.947   43.433   81.555   43.232   67.340   22.234   72.335   21.986 -4.995125 31.26872 
1 1 1    6   38   15 o   55.165   19.586   41.995   33.859   37.280   40.314   53.289   62.385   54.473   20.985   63.390   25.569 -8.917053 33.07836 
1 1 1    6   38   16 o  107.565   13.567  156.853   35.633   76.252   53.803  219.826   47.557   70.073   24.710  126.209   15.410 -56.13585 29.12074 
1 1 1    6   38   17 o  160.288   12.144  340.557   48.247  265.466   78.512  386.119   61.156  129.931   25.106  168.528   14.678 -38.59761 29.08218 
1 1 1    6   38   18 o  121.123   13.270  197.069   39.480  179.759   64.081  207.659   50.122  107.091   24.494  121.804   16.937 -14.71242 29.77943 
1 1 1    6   38   19 o  152.971   12.413  310.328   47.006  297.760   78.914  317.239   58.522  140.193   23.363  152.148   15.625 -11.95438 28.10649 
1 1 1    6   38   20 o   75.271   25.271   88.719   56.060   0.0000   0.0000   88.719   56.060  ?   ?    75.271   25.271 0.000000 25.27132 
1 1 1    6   38   21 o   56.745   18.701   44.985   30.733   8.7977   52.933   63.388   37.747   50.842   22.167   65.730   20.644 -14.88800 30.29066 
1 1 1    6   38   22 o   59.643   18.387   50.676   30.103   60.741   51.636   45.494   37.052   65.374   24.054   57.763   20.490 7.611076 31.59839 
1 1 1    6   38   23 o  155.435   12.235  319.237   47.105  235.879   79.463  364.398   58.489  121.364   26.924  164.434   14.389 -43.06954 30.52760 
1 1 1    6   38   24 o  130.926   13.084  228.788   42.205  174.922   68.723  261.406   53.479  104.425   26.353  138.072   15.795 -33.64745 30.72403 
1 1 1    6   38   25 o   71.190   18.559   73.525   33.332   37.390   51.884   98.918   43.494   57.976   23.342   81.245   21.210 -23.26853 31.53892 
1 1 1    6   38   26 o   40.240   16.855   8.6352   28.458 -19.9215   40.701   35.950   39.806   39.215   18.047   54.494   20.888 -15.27970 27.60406 
1 1 1    6   38   27 o  110.132   14.489  165.014   38.880  167.593   59.483  163.091   51.373  104.568   23.368  105.615   20.215 -1.046356 30.89804 
1 1 1    6   38   28 o   66.030   19.937   64.049   35.636   60.415   44.787   70.320   58.833   64.474   22.558   68.921   25.616 -4.446495 34.13277 
1 1 1    6   38   29 o   92.564   15.967  119.443   35.575  109.782   51.418  128.315   49.272   83.861   23.572   92.138   21.762 -8.276939 32.08149 
1 1 1    6   38   30 o  121.879   13.926  200.925   41.623  327.511   62.989  102.810   55.455  153.495   16.703   80.249   24.992 73.24624 30.05965 
1 1 1    6   38   31 o  109.738   18.666  173.097   49.320  201.490   56.836   86.540   99.236  117.374   20.115   75.473   31.531 41.90168 37.40094 
1 1 1    6   38   32 o   44.585   19.997  -5.8308   46.148   0.0000   0.0000  -5.8308   46.148  ?   ?    44.585   19.997 0.000000 19.99748 
1 1 1    6   39    0 o   32.372   14.929  -2.6276   28.055   2.2723   28.840 -88.9973  121.082   33.913   15.449   42.501   21.590 -8.588310 26.54844 
1 1 1    6   39    1 o   30.885   14.407  -9.0713   27.299  -1.3881   28.133 -132.8493  112.921   33.126   15.155   41.065   20.860 -7.938938 25.78382 
1 1 1    6   39    2 o   26.533   12.703 -21.6914   23.968 -22.7818   26.374 -16.5205   57.435   27.780   13.307   40.316   19.397 -12.53688 23.52255 
1 1 1    6   39    3 o  112.333   15.330  195.444   41.881  137.976   53.010  290.900   68.319   80.750   24.302  123.917   22.922 -43.16646 33.40668 
1 1 1    6   39    4 o  107.378   16.809  182.664   43.594  123.197   51.751  327.979   80.897   77.204   24.159  126.289   26.497 -49.08507 35.85741 
1 1 1    6   39    5 o   51.319   22.446   38.637   54.666   0.0000   0.0000   38.637   54.666  ?   ?    51.319   22.446 0.000000 22.44641 
1 1 1    6   39    6 o   33.391   14.818   0.6592   24.643   5.6422   28.170 -15.5903   50.869   36.683   16.077   40.799   19.233 -4.115131 25.06724 
1 1 1    6   39    7 o   52.221   18.425   43.300   29.919   14.815   36.678   99.944   51.722   42.857   18.569   71.517   24.273 -28.66032 30.56114 
1 1 1    6   39    8 o   78.699   20.224  103.520   39.960   80.375   43.757  219.798   98.076   66.899   22.327   90.178   33.155 -23.27882 39.97234 
1 1 1    6   39    9 o   34.559   15.264   0.7146   25.846   11.168   30.270 -27.4179   49.657   40.000   17.094   39.520   18.741 0.4800606 25.36542 
1 1 1    6   39   10 o   48.683   17.752   34.092   28.034   3.0331   35.071   89.053   46.654   39.849   17.681   70.921   23.025 -31.07145 29.03086 
1 1 1    6   39   11 o   50.619   18.164   37.407   29.196   24.112   37.604   57.584   46.324   47.132   19.527   59.563   22.604 -12.43007 29.86994 
1 1 1    6   39   12 o   39.112   16.406   11.065   27.025   6.5739   35.061   17.641   42.421   41.219   18.004   46.906   20.145 -5.687321 27.01787 
1 1 1    6   39   13 o   69.695   25.824   86.831   59.701   0.0000   0.0000   86.831   59.701  ?   ?    69.695   25.824 0.000000 25.82387 
1 1 1    6   39   14 f  125.352   13.062  215.930   40.286  126.680   60.330  287.756   54.121   83.893   26.058  142.345   15.475 -58.45155 30.30624 
1 1 1    6   39   15 o  116.132   13.667  186.474   38.876  121.636   59.007  236.202   51.676   82.990   25.769  128.121   16.538 -45.13099 30.61956 
1 1 1    6   39   16 f  107.263   14.267  160.153   37.267  127.618   57.093  184.306   49.192   86.332   25.027  111.746   18.259 -25.41404 30.98015 
1 1 1    6   39   17 o   48.432   18.432   29.391   30.859   25.385   45.649   32.762   41.877   51.131   21.376   52.408   21.016 -1.277187 29.97656 
1 1 1    6   39   18 o   68.835   18.480   71.118   32.433   26.199   51.566  100.518   41.717   53.113   22.490   80.532   20.647 -27.41892 30.53025 
1 1 1    6   39   19 o  122.479   13.690  205.265   41.155  159.548   68.315  231.310   51.562   95.497   27.286  127.622   16.570 -32.12488 31.92321 
1 1 1    6   39   20 o   63.006   18.829   59.237   31.904   22.586   52.918   80.168   39.990   52.858   22.595   71.919   20.974 -19.06105 30.82903 
1 1 1    6   39   21 o   65.127   24.609   64.280   54.761   0.0000   0.0000   64.280   54.761  ?   ?    65.127   24.609 0.000000 24.60929 
1 1 1    6   39   22 o  115.220   14.060  181.993   39.616   64.793   66.874  245.359   49.173   66.358   26.576  133.138   15.055 -66.78047 30.54393 
1 1 1    6   39   23 f  121.192   13.749  200.260   40.874  119.877   68.948  243.819   50.754   82.633   28.025  132.249   15.673 -49.61687 32.10984 
1 1 1    6   39   24 o   53.742   18.820   40.097   31.178   4.7615   50.194   62.296   39.784   48.061   21.247   64.187   21.283 -16.12623 30.07332 
1 1 1    6   39   25 f   57.977   21.238   47.198   40.190   25.704   51.854   79.538   63.604   53.657   22.627   70.502   26.549 -16.84457 34.88326 
1 1 1    6   39   26 o   86.146   17.969  108.147   37.404   72.460   57.461  134.387   49.272   68.188   25.321   93.502   21.545 -25.31334 33.24694 
1 1 1    6   39   27 o  157.709   13.064  334.991   50.985  255.292   78.986  391.919   66.755  124.778   26.184  167.527   16.157 -42.74916 30.76775 
1 1 1    6   39   28 o  160.346   13.284  347.100   52.713  292.306   79.992  389.157   70.082  135.791   24.491  165.810   17.175 -30.01920 29.91270 
1 1 1    6   39   29 o  209.954   25.697  708.441  131.916   0.0000   0.0000  708.441  131.916  ?   ?   209.954   25.697 0.000000 25.69707 
1 1 1    6   39   30 o   31.418   14.650 -20.3113   28.183 -14.0771   36.266 -29.8173   44.782   37.649   17.218   38.904   18.247 -1.254921 25.08783 
1 1 1    6   39   31 o   53.094   22.024   27.914   47.925   0.0000   0.0000   27.914   47.925  ?   ?    53.094   22.024 0.000000 22.02407 
1 1 1    6   40    1 o   46.226   18.987   44.650   35.149   45.296   36.576   36.852  127.081   46.270   19.221   45.265   22.898 1.004578 29.89607 
1 1 1    6   40    2 o   49.271   19.698   50.928   36.670   44.534   38.547  111.812  118.953   46.942   19.635   51.198   25.313 -4.255646 32.03551 
1 1 1    6   40    3 o   28.985   13.708 -13.9948   26.222 -22.6537   29.319   20.620   58.619   28.898   13.892   43.978   20.705 -15.07939 24.93379 
1 1 1    6   40    4 o   39.515   16.854   18.875   29.328   6.5481   33.852   55.974   58.726   37.282   16.888   51.192   22.788 -13.90977 28.36357 
1 1 1    6   40    5 o   40.036   16.952   19.031   29.294   18.170   34.489   21.261   55.501   41.026   17.890   45.534   20.998 -4.507988 27.58560 
1 1 1    6   40    6 o   52.062   23.687   47.962   67.528   0.0000   0.0000   47.962   67.528  ?   ?    52.062   23.687 0.000000 23.68744 
1 1 1    6   40    7 o   66.701   19.817   79.707   35.418   59.150   44.526  115.125   58.443   55.762   21.892   70.787   25.659 -15.02485 33.72923 
1 1 1    6   40    8 o   73.486   21.509   99.609   41.989  113.190   46.101   33.491  101.720   77.209   22.520   54.245   26.024 22.96478 34.41477 
1 1 1    6   40    9 o   48.010   18.290   35.065   30.404   21.763   37.931   58.971   50.849   44.683   19.116   56.828   23.027 -12.14474 29.92781 
1 1 1    6   40   10 o   27.261   13.286 -40.3289   29.268 -54.5040   31.356   55.588   81.566   26.514   13.087   57.649   26.154 -31.13485 29.24555 
1 1 1    6   40   11 o   86.655   17.446  117.102   36.446   90.330   50.212  146.911   52.983   68.714   23.894   89.929   23.377 -21.21517 33.42767 
1 1 1    6   40   12 o   63.815   19.090   66.733   32.783   70.507   44.782   62.375   48.123   62.935   22.505   59.723   22.949 3.211670 32.14243 
1 1 1    6   40   13 o   97.411   16.056  141.153   37.695  121.771   54.853  158.496   51.888   80.428   24.825   96.717   21.983 -16.28894 33.15881 
1 1 1    6   40   14 o  168.459   26.940  521.549  109.513   0.0000   0.0000  521.549  109.513  ?   ?   168.459   26.940 0.000000 26.94048 
1 1 1    6   40   15 o   45.886   18.172   25.939   30.927   2.8945   44.877   46.783   42.681   43.729   19.659   55.475   21.530 -11.74530 29.15537 
1 1 1    6   40   16 o  124.468   14.092  218.628   43.029  161.397   68.015  256.821   55.562   91.287   27.539  131.280   17.375 -39.99311 32.56243 
1 1 1    6   40   17 o   62.886   19.404   62.500   33.517   29.686   52.152   85.589   43.747   52.494   22.435   71.284   22.197 -18.78975 31.56016 
1 1 1    6   40   18 o   58.007   21.401   51.942   40.917   25.409   53.945   87.886   62.786   52.096   22.546   69.537   26.333 -17.44085 34.66628 
1 1 1    6   40   19 o   36.483   16.314  -3.3369   30.467 -22.0423   49.998   7.7118   38.426   41.531   19.415   43.134   18.844 -1.603313 27.05632 
1 1 1    6   40   20 o   80.222   18.242   97.543   35.719   94.499   59.894   99.222   44.497   72.593   26.020   77.809   21.949 -5.215584 34.04084 
1 1 1    6   40   21 o  101.720   15.611  147.988   38.388  146.777   65.169  148.631   47.504   89.714   26.933   98.048   20.077 -8.334877 33.59267 
1 1 1    6   40   22 o   62.291   24.747   59.434   57.529   0.0000   0.0000   59.434   57.529  ?   ?    62.291   24.747 0.000000 24.74714 
1 1 1    6   40   23 o   89.344   17.686  118.187   38.063   86.339   63.938  135.670   47.372   70.393   26.593   93.056   20.897 -22.66354 33.82146 
1 1 1    6   40   24 o  103.046   15.939  151.803   39.692   87.446   64.345  191.335   50.430   70.869   26.700  113.631   18.401 -42.76177 32.42707 
1 1 1    6   40   25 o   64.860   19.976   65.112   35.540   20.940   56.039   94.832   45.967   52.557   22.863   76.221   22.560 -23.66408 32.11945 
1 1 1    6   40   26 o   41.622   18.632  -2.4959   39.852 -12.0067   48.687   16.813   69.371   43.322   19.863   55.030   24.612 -11.70845 31.62738 
1 1 1    6   40   27 o   36.864   16.679  -8.1647   32.909   12.601   47.164 -27.8677   45.941   48.091   20.947   39.313   18.452 8.778019 27.91500 
1 1 1    6   40   28 o  206.239   13.104  578.101   67.138  436.209  105.507  674.653   87.033  159.155   27.544  218.484   16.065 -59.32886 31.88624 
1 1 1    6   40   29 o  229.859   13.435  720.805   76.784  518.161  120.836  858.043   99.442  170.265   29.488  246.070   16.275 -75.80450 33.68093 
1 1 1    6   40   30 o  133.010   28.759  315.925   92.742   0.0000   0.0000  315.925   92.742  ?   ?   133.010   28.759 0.000000 28.75932 
1 1 1    6   41    4 o   41.178   18.099   27.600   35.931   16.281   37.828  132.029  114.899   38.657   17.643   50.886   25.105 -12.22975 30.68463 
1 1 1    6   41    5 o   90.297   29.286  252.411   75.481   0.0000   0.0000  252.411   75.481  ?   ?    90.297   29.286 0.000000 29.28562 
1 1 1    6   41    6 o   47.962   18.978   43.710   33.705   38.265   40.312   56.359   61.441   46.001   19.694   49.826   22.641 -3.825428 30.00763 
1 1 1    6   41    7 o   47.992   19.476   42.156   36.432   22.724   42.240   98.595   71.988   42.966   19.212   57.873   25.521 -14.90648 31.94421 
1 1 1    6   41    8 o   44.926   20.787   19.336   55.058   0.0000   0.0000   19.336   55.058  ?   ?    44.926   20.787 0.000000 20.78654 
1 1 1    6   41    9 o   94.148   17.990  148.522   40.753  103.739   54.535  205.157   61.328   66.673   24.686   99.263   24.810 -32.58978 34.99871 
1 1 1    6   41   10 o   30.770   14.542 -17.8817   29.416   13.874   37.213 -70.7760   48.028   41.289   18.272   31.992   15.865 9.296917 24.19780 
1 1 1    6   41   11 o   82.941   22.064  128.521   46.496   86.560   54.238  244.846   90.305   63.342   24.358   92.452   32.050 -29.10948 40.25520 
1 1 1    6   41   12 o   51.297   19.180   43.403   33.081   45.234   45.005   41.252   48.791   52.214   21.470   51.352   21.817 0.8617592 30.60956 
1 1 1    6   41   13 o   47.637   18.764   33.456   32.814   35.683   45.784   31.104   47.055   50.042   21.191   49.020   21.136 1.021370 29.92968 
1 1 1    6   41   14 o   35.058   15.943  -4.6031   30.543   10.342   41.912 -21.5281   44.602   43.113   19.217   37.796   17.876 5.317043 26.24576 
1 1 1    6   41   15 o  146.874   13.801  309.810   50.025  234.315   77.741  363.163   65.353  105.135   28.773  153.554   17.347 -48.41896 33.59812 
1 1 1    6   41   16 o   80.928   28.191  144.146   69.912   0.0000   0.0000  144.146   69.912  ?   ?    80.928   28.191 0.000000 28.19135 
1 1 1    6   41   17 o   51.003   19.403   38.898   34.185   1.3650   53.122   65.426   44.661   45.336   20.772   61.187   22.392 -15.85072 30.54341 
1 1 1    6   41   18 o  135.816   14.297  264.126   47.762  203.283   78.801  299.457   60.048   97.264   29.710  140.429   17.504 -43.16433 34.48275 
1 1 1    6   41   19 o   58.716   22.029   56.938   43.712   63.232   58.135   48.751   66.303   60.770   24.623   57.800   25.005 2.970806 35.09360 
1 1 1    6   41   20 o   74.621   20.480   91.724   39.321   32.132   70.076  119.108   47.504   55.344   24.746   83.415   22.353 -28.07082 33.34653 
1 1 1    6   41   21 o   35.686   16.222  -7.2834   31.584 -30.8656   52.678   5.9513   39.464   40.587   19.263   42.509   18.813 -1.922028 26.92569 
1 1 1    6   41   22 o   51.147   19.401   37.250   34.115   11.406   57.981   50.935   42.191   49.519   22.296   57.110   21.596 -7.591370 31.04013 
1 1 1    6   41   23 o   38.907   17.216   1.8394   33.031 -43.8537   55.527   26.864   41.093   40.051   19.218   49.018   20.369 -8.967205 28.00355 
1 1 1    6   41   24 o   77.470   27.560  118.022   67.073   0.0000   0.0000  118.022   67.073  ?   ?    77.470   27.560 0.000000 27.55975 
1 1 1    6   41   25 o   83.118   19.507  108.585   39.794   62.825   62.412  139.932   51.657   62.165   25.390   91.300   22.742 -29.13524 34.08606 
1 1 1    6   41   26 o   40.125   17.809   1.5829   35.605  -5.1691   52.496   7.3346   48.452   45.141   20.671   46.327   20.655 -1.186886 29.22169 
1 1 1    6   41   27 o   86.546   23.697  129.131   52.717  121.714   64.699  143.781   90.929   79.622   27.147   80.070   31.328 -0.4473114 41.45381 
1 1 1    6   41   28 o  129.965   15.450  242.294   49.159  187.310   71.587  291.361   67.625   99.490   27.761  136.434   20.481 -36.94368 34.49836 
1 1 1    6   41   29 o   82.339   26.474  127.229   61.785   0.0000   0.0000  127.229   61.785  ?   ?    82.339   26.474 0.000000 26.47417 
1 1 1    6   42    7 o   82.694   20.737  142.917   42.745   65.152   55.574  255.570   66.888   48.999   21.963   97.677   26.672 -48.67852 34.55093 
1 1 1    6   42    8 f   25.760   12.740 -44.3971   30.231 -43.1619   36.850 -46.9396   52.869   28.936   14.265   33.843   16.758 -4.907627 22.00709 
1 1 1    6   42    9 o   56.293   25.428  107.171   76.137   0.0000   0.0000  107.171   76.137  ?   ?    56.293   25.428 0.000000 25.42838 
1 1 1    6   42   10 o   85.713   19.824  137.355   41.586   36.160   56.362  258.272   61.610   46.707   21.399  113.396   22.551 -66.68822 31.08817 
1 1 1    6   42   11 o   39.598   17.540   14.718   34.371   1.9092   45.780   31.265   52.035   39.720   18.572   46.236   20.941 -6.516266 27.99013 
1 1 1    6   42   12 o   35.886   16.454  -0.4296   33.409   12.938   44.830 -17.1270   50.103   42.062   19.201   38.341   18.359 3.721550 26.56546 
1 1 1    6   42   13 o   51.114   20.945   47.679   42.645   53.591   50.110   32.150   81.211   52.642   22.224   50.240   23.865 2.402023 32.61057 
1 1 1    6   42   14 o   42.798   18.227   22.076   34.208   32.865   48.394   11.300   48.362   47.997   21.053   43.394   19.860 4.602932 28.94201 
1 1 1    6   42   15 o  116.886   16.629  215.557   47.169  163.844   73.823  251.237   61.319   78.839   28.799  118.582   21.499 -39.74321 35.93840 
1 1 1    6   42   16 o   43.139   18.532   19.893   35.914   25.310   54.898   15.840   47.484   48.193   21.697   44.873   20.193 3.319523 29.63995 
1 1 1    6   42   17 o   70.892   27.518  122.348   69.725   0.0000   0.0000  122.348   69.725  ?   ?    70.892   27.518 0.000000 27.51762 
1 1 1    6   42   18 f   61.629   20.864   68.118   38.216   65.670   63.157   69.532   48.001   58.316   24.800   60.364   22.985 -2.048405 33.81326 
1 1 1    6   42   19 f   51.760   20.097   42.829   37.200   1.6074   61.194   66.991   46.850   46.334   21.600   60.034   22.744 -13.70015 31.36596 
1 1 1    6   42   20 o   39.216   17.527   3.6742   35.117   26.063   57.445  -9.6853   44.375   50.147   22.415   39.831   18.510 10.31601 29.06941 
1 1 1    6   42   21 o   44.067   19.583   11.760   43.185   80.189   58.971 -67.3761   63.416   63.577   25.119   38.902   19.085 24.67524 31.54719 
1 1 1    6   42   22 o   75.236   20.555   96.498   39.713   15.027   66.133  142.445   49.665   50.198   23.065   90.165   22.205 -39.96663 32.01628 
1 1 1    6   42   23 f   43.062   18.480   15.754   35.649 -32.0652   58.773   43.586   44.838   41.643   19.926   53.368   21.624 -11.72485 29.40482 
1 1 1    6   42   24 f   57.425   20.708   54.975   37.994   61.739   61.168   50.727   48.481   59.381   24.777   55.954   22.551 3.427319 33.50311 
1 1 1    6   42   25 o   64.040   26.299   80.474   67.420   0.0000   0.0000   80.474   67.420  ?   ?    64.040   26.299 0.000000 26.29922 
1 1 1    6   42   26 o   77.556   21.200  102.758   42.232  123.890   63.606   86.097   56.477   77.371   26.894   66.797   25.044 10.57460 36.74870 
1 1 1    6   42   27 o   62.197   21.703   66.964   41.444   39.190   61.322   90.316   56.229   54.540   23.816   68.272   25.104 -13.73246 34.60403 
1 1 1    6   42   28 o   42.385   19.891 -16.5673   53.356   0.0000   0.0000 -16.5673   53.356  ?   ?    42.385   19.891 0.000000 19.89113 
1 1 1    6   43   12 f   75.700   21.831  124.636   43.543   72.412   61.626  176.700   61.532   51.284   23.048   79.273   26.477 -27.98893 35.10303 
1 1 1    6   43   13 o   39.716   17.930   15.894   37.789   23.628   52.692   7.7030   54.225   43.454   20.185   41.172   19.541 2.282043 28.09461 
1 1 1    6   43   14 o   62.968   23.948  100.398   52.071   76.901   63.798  147.285   90.120   53.987   23.906   61.115   27.631 -7.127953 36.53680 
1 1 1    6   43   15 o   38.877   17.740   8.2098   38.222 -34.3980   58.302   40.327   50.618   37.805   18.495   47.773   21.217 -9.968479 28.14676 
1 1 1    6   43   16 o   75.323   21.688  113.520   43.005   85.501   67.303  132.853   55.906   57.111   24.945   74.238   25.235 -17.12724 35.48305 
1 1 1    6   43   17 o   36.983   17.112  -2.1110   37.317 -21.6697   58.834   11.055   48.270   40.084   19.371   42.514   19.597 -2.430798 27.55522 
1 1 1    6   43   18 o   35.242   16.566 -11.9866   37.271   44.809   59.937 -47.7960   47.592   50.768   22.779   33.959   16.634 16.80927 28.20600 
1 1 1    6   43   19 o   94.779   31.533  257.250   87.300   0.0000   0.0000  257.250   87.300  ?   ?    94.779   31.533 0.000000 31.53267 
1 1 1    6   43   20 o   47.673   19.712   35.275   38.214   0.3855   63.162   55.421   47.995   44.790   21.210   54.022   22.188 -9.231995 30.69460 
1 1 1    6   43   21 o   49.265   20.142   39.164   39.329   5.2295   66.319   57.570   48.844   46.310   21.870   54.963   22.457 -8.653515 31.34632 
1 1 1    6   43   22 o   42.598   19.561   5.4935   47.464 -58.2231   64.880   78.858   69.619   39.011   19.172   59.289   25.636 -20.27830 32.01252 
1 1 1    6   43   23 o  104.479   18.842  180.755   47.351   68.895   76.421  250.462   60.327   57.526   25.773  120.030   20.885 -62.50425 33.17273 
1 1 1    6   43   24 o   67.955   22.159   88.301   43.190   27.451   67.901  129.650   55.973   50.509   23.268   78.325   25.200 -27.81595 34.29930 
1 1 1    6   43   25 o   41.546   18.610   8.9749   39.824  -0.3959   61.188   15.861   52.454   45.301   21.273   46.180   20.959 -0.8796043 29.86367 
1 1 1    6   43   26 o   74.993   29.456  151.832   80.647   0.0000   0.0000  151.832   80.647  ?   ?    74.993   29.456 0.000000 29.45625 
1 1 1    6   43   27 o   63.051   25.484   86.533   62.104   0.0000   0.0000   86.533   62.104  ?   ?    63.051   25.484 0.000000 25.48375 
1 1 1    7  -35    0 o   38.907   18.638 -24.1093   51.746 -114.0730   84.108   30.682   65.639   39.397   19.759   50.047   22.990 -10.65009 30.31380 
1 1 1    7  -34    0 o   75.016   25.803  115.204   58.477  127.022   91.334  106.995   76.125   70.530   29.902   68.512   28.018 2.018173 40.97725 
1 1 1    7  -34    1 o   64.319   24.824   85.099   56.493   92.916   86.188   79.211   74.802   63.087   27.868   61.147   26.506 1.940090 38.46043 
1 1 1    7  -34    2 o   38.569   18.510 -28.5184   51.565 -89.9031   78.265   18.567   68.546   40.043   19.923   49.152   22.896 -9.108643 30.35000 
1 1 1    7  -33    0 o   46.442   20.632   10.305   47.900   24.138   74.072   0.3619   62.797   54.989   24.938   48.716   22.418 6.273647 33.53315 
1 1 1    7  -33    1 o   46.683   20.786   12.209   48.893   4.5043   73.838   18.224   65.246   51.206   23.823   51.669   23.421 -0.4624329 33.40775 
1 1 1    7  -33    2 o   53.335   22.479   40.575   51.130  142.787   77.381 -38.6346   68.120   78.236   29.318   43.689   21.046 34.54743 36.08997 
1 1 1    7  -33    3 o   39.354   18.664 -23.0092   49.287 -38.8256   74.367 -10.6203   65.818   44.572   21.597   45.877   21.703 -1.305176 30.61785 
1 1 1    7  -32    0 o   29.578   12.789   0.5933   17.325  -5.9051   18.192   63.971   56.813   27.814   12.509   63.869   24.826 -36.05585 27.79939 
1 1 1    7  -32    1 o   62.990   15.601   58.128   24.413   49.672   26.743  100.398   59.793   57.565   17.247   74.385   26.063 -16.81952 31.25223 
1 1 1    7  -32    2 o   55.925   22.603   44.764   48.853 -37.1247   71.864  115.119   66.611   46.282   22.115   76.655   27.444 -30.37281 35.24529 
1 1 1    7  -32    3 o   40.190   18.684 -15.0603   45.285 -75.7912   68.399   32.334   60.424   40.637   19.913   53.859   23.577 -13.22197 30.86089 
1 1 1    7  -32    4 o   64.009   24.264   75.657   53.342   57.004   82.477   89.070   69.938   59.859   26.799   66.317   26.958 -6.458710 38.01228 
1 1 1    7  -32    5 o   65.670   27.879   96.509   79.568   96.509   79.568   0.0000   0.0000   65.670   27.879  ?   ?  0.000000 27.87904 
1 1 1    7  -31    0 f   15.401   7.6675 -28.9114   11.671 -29.9835   11.955  -7.1051   53.916   15.514   7.7296   47.336   21.389 -31.82181 22.74270 
1 1 1    7  -31    1 o   91.136   14.502  115.257   31.898  122.335   36.788   93.816   64.031   92.643   16.507   74.611   26.886 18.03213 31.54919 
1 1 1    7  -31    2 o   44.854   15.836   26.513   22.106   28.180   23.966   17.004   57.236   46.180   16.469   52.285   22.916 -6.105099 28.21994 
1 1 1    7  -31    3 o   55.728   23.860   33.559   59.182   0.0000   0.0000   33.559   59.182  ?   ?    55.728   23.860 0.000000 23.86017 
1 1 1    7  -31    4 o   50.842   23.291   3.5305   66.748   3.5305   66.748   0.0000   0.0000   50.842   23.291  ?   ?  0.000000 23.29103 
1 1 1    7  -31    5 o   50.426   21.399   27.923   46.851   88.142   67.735 -27.3146   64.873   67.925   26.895   45.156   21.415 22.76952 34.37941 
1 1 1    7  -31    6 o   57.390   23.103   53.169   50.819  127.445   74.470 -11.5681   69.524   76.085   28.711   47.873   22.542 28.21237 36.50262 
1 1 1    7  -31    7 o   56.255   22.682   52.686   49.068  133.374   73.623 -11.7987   65.817   76.078   28.580   46.186   21.804 29.89173 35.94786 
1 1 1    7  -30    0 o   26.937   12.066  -6.1344   16.742  -3.2098   17.778 -29.0484   49.764   28.932   12.724   42.411   19.672 -13.47897 23.42805 
1 1 1    7  -30    1 o   84.670   17.616  101.653   36.035   99.828   37.721  120.701  121.889   83.356   18.594   84.702   35.129 -1.346214 39.74642 
1 1 1    7  -30    2 o   75.735   26.102   91.599   59.857   0.0000   0.0000   91.599   59.857  ?   ?    75.735   26.102 0.000000 26.10216 
1 1 1    7  -30    3 o   63.222   17.166   58.026   27.798   58.026   27.798   0.0000   0.0000   63.222   17.166  ?   ?  0.000000 17.16564 
1 1 1    7  -30    4 o   56.637   15.959   46.279   23.538   41.451   25.720   71.166   58.395   53.708   17.061   66.994   25.389 -13.28635 30.58929 
1 1 1    7  -30    5 o   61.815   22.606   59.461   45.507   42.911   68.131   72.792   61.147   59.636   25.569   66.482   25.779 -6.845886 36.30907 
1 1 1    7  -30    6 o   75.483   23.970   98.948   50.771  144.961   73.667   57.317   70.071   85.214   28.968   61.941   26.222 23.27273 39.07296 
1 1 1    7  -30    7 o   62.365   23.277   65.574   48.681  111.531   70.349   23.345   67.434   74.366   27.938   53.816   24.153 20.54938 36.93095 
1 1 1    7  -30    8 o   62.405   23.512   68.483   49.894  -8.1981   70.480  145.519   70.643   48.701   22.857   82.964   28.366 -34.26352 36.42914 
1 1 1    7  -30    9 o   48.952   22.661   6.8498   65.564   6.8498   65.564   0.0000   0.0000   48.952   22.661  ?   ?  0.000000 22.66102 
1 1 1    7  -29    0 o   55.417   16.062   41.671   23.518   40.159   26.291   47.723   52.613   54.785   17.232   63.394   24.082 -8.609627 29.61220 
1 1 1    7  -29    1 o   98.427   15.011  130.350   35.728  147.522   44.282   98.318   60.479  103.429   17.786   81.079   26.206 22.35040 31.67134 
1 1 1    7  -29    2 o   87.001   14.954  102.845   31.317  112.425   35.767   71.371   64.830   90.322   16.464   71.640   26.838 18.68195 31.48546 
1 1 1    7  -29    3 o   42.550   16.061   19.641   23.309   22.635   23.703 -68.1210  128.331   44.201   16.292   62.127   29.649 -17.92646 33.83026 
1 1 1    7  -29    4 o   65.062   15.362   59.349   24.560   54.552   27.195   80.562   57.191   61.852   17.055   72.362   25.480 -10.50965 30.66125 
1 1 1    7  -29    5 o   39.105   15.064   15.821   20.774   26.138   22.570 -41.3687   53.138   45.202   15.997   41.094   19.458 4.107285 25.18958 
1 1 1    7  -29    6 o   64.742   16.983   61.279   27.799   80.263   31.094 -14.3095   62.045   74.170   17.133   48.269   22.239 25.90106 28.07320 
1 1 1    7  -29    7 o  104.235   21.693  171.001   54.628  253.652   79.166   95.875   75.477  121.020   26.894   72.813   28.528 48.20686 39.20597 
1 1 1    7  -29    8 o   58.570   22.343   52.175   45.408  100.457   65.045   6.2760   63.420   73.503   27.004   50.785   23.048 22.71889 35.50290 
1 1 1    7  -29    9 o   50.912   21.350   29.764   45.753   60.777   65.127  -0.4550   64.290   61.450   25.597   49.153   22.643 12.29725 34.17485 
1 1 1    7  -29   10 o   60.446   23.342   62.322   49.968   88.484   70.272   35.566   71.065   66.939   27.089   55.755   24.925 11.18324 36.81173 
1 1 1    7  -28    0 o   70.729   22.605   68.251   45.098   83.375   66.279   55.211   61.542   78.392   27.441   68.814   26.068 9.577736 37.84912 
1 1 1    7  -28    1 o   39.400   15.193   14.201   21.147   20.781   23.382 -15.3626   49.561   43.823   16.176   45.943   20.656 -2.120316 26.23664 
1 1 1    7  -28    2 o   36.094   14.270   10.262   19.044   6.6264   20.224   38.725   56.590   35.151   14.416   61.886   24.558 -26.73530 28.47632 
1 1 1    7  -28    3 f  127.169   11.651  210.217   36.587  198.407   43.846  237.298   66.394  122.133   14.670  129.711   21.232 -7.577255 25.80709 
1 1 1    7  -28    4 o   56.517   16.096   43.965   23.812   49.386   26.051   16.433   58.711   59.670   16.781   55.771   23.819 3.898407 29.13658 
1 1 1    7  -28    5 o   33.335   14.036   3.6838   19.903  -0.6304   20.142  182.854  129.802   31.784   13.766   97.959   37.679 -66.17535 40.11457 
1 1 1    7  -28    6 o   61.509   16.434   53.529   25.724   65.176   28.728   6.4182   57.778   67.644   17.021   52.077   22.919 15.56706 28.54840 
1 1 1    7  -28    7 o   35.006   14.157   9.1658   19.179   16.259   20.584 -37.5205   52.809   39.274   15.029   41.598   19.605 -2.323788 24.70261 
1 1 1    7  -28    8 o   91.716   13.943  116.037   30.928  112.217   35.369  128.445   63.747   88.480   16.618   86.145   26.790 2.335358 31.52559 
1 1 1    7  -28    9 o   45.263   19.879   6.8477   43.264   39.325   59.170 -30.4640   63.421   57.592   24.222   45.702   21.523 11.89026 32.40311 
1 1 1    7  -28   10 o   42.421   19.136  -2.7894   42.943   83.947   59.908 -94.4523   61.586   68.983   25.807   37.234   18.372 31.74876 31.67883 
1 1 1    7  -28   11 o   76.296   24.028  103.433   51.099  128.512   70.173   75.124   74.556   79.714   28.207   65.110   27.277 14.60413 39.23882 
1 1 1    7  -28   12 o   43.689   19.678   3.4997   45.214 -32.4139   61.608   45.424   66.564   43.105   20.563   57.079   24.873 -13.97456 32.27210 
1 1 1    7  -27    0 o   87.885   23.230  107.737   51.754   0.0000   0.0000  107.737   51.754  ?   ?    87.885   23.230 0.000000 23.22995 
1 1 1    7  -27    1 o  135.733   25.035  258.470   81.730  258.470   81.730   0.0000   0.0000  135.733   25.035  ?   ?  0.000000 25.03507 
1 1 1    7  -27    2 o   74.313   22.181   76.390   44.297   47.534   62.325  105.846   62.970   66.939   26.007   86.138   26.600 -19.19871 37.20110 
1 1 1    7  -27    3 o   69.674   15.211   65.499   25.724   76.981   29.310   27.000   53.670   75.407   16.057   58.168   23.627 17.23951 28.56688 
1 1 1    7  -27    4 o   83.620   13.681   92.820   27.580  108.020   31.769   46.308   55.572   89.991   14.640   64.037   24.648 25.95390 28.66753 
1 1 1    7  -27    5 o   60.207   15.801   49.668   24.056   53.169   26.994   36.155   53.028   62.103   16.938   59.816   23.761 2.287804 29.17979 
1 1 1    7  -27    6 o   52.498   17.250   36.506   26.156   35.110   26.715   68.843  128.577   51.860   17.445   80.287   34.777 -28.42688 38.90770 
1 1 1    7  -27    7 o   79.293   15.004   86.125   28.622  106.948   32.466   13.483   60.637   88.459   15.248   55.255   23.909 33.20473 28.35696 
1 1 1    7  -27    8 o   59.565   16.160   49.979   24.647   59.742   27.169   4.5769   58.587   64.905   16.674   52.021   22.978 12.88376 28.39044 
1 1 1    7  -27    9 o   62.835   16.022   56.250   25.218   60.171   27.761   37.736   60.326   64.629   16.980   59.291   24.662 5.337933 29.94211 
1 1 1    7  -27   10 o   74.537   15.227   78.670   27.385   83.286   30.312   58.181   63.869   76.044   16.441   64.064   25.861 11.98000 30.64475 
1 1 1    7  -27   11 o   46.612   19.996   14.285   41.712   53.731   57.838 -28.4662   60.213   61.111   24.630   44.863   21.079 16.24841 32.41866 
1 1 1    7  -27   12 o   44.842   19.794   7.0258   43.408 -11.1130   58.274   29.636   65.062   46.324   21.416   55.566   24.391 -9.242283 32.45892 
1 1 1    7  -27   13 o   58.302   22.407   53.558   45.881   44.531   62.606   64.030   67.435   57.423   24.562   62.316   26.010 -4.893280 35.77469 
1 1 1    7  -26    0 o  320.279   16.675  1328.66  132.906  1328.66  132.906   0.0000   0.0000  320.279   16.675  ?   ?  0.000000 16.67512 
1 1 1    7  -26    1 o  142.746   11.171  260.116   39.501  286.562   50.520  218.513   63.364  149.064   13.726  127.404   20.621 21.65999 24.77139 
1 1 1    7  -26    2 o  175.406   10.641  391.655   46.391  382.378   59.766  405.716   73.580  172.102   14.028  176.015   16.950 -3.912643 22.00208 
1 1 1    7  -26    3 o  120.123   17.530  191.910   51.035  270.554   72.741  115.665   71.622  141.171   21.296   90.232   28.451 50.93967 35.53809 
1 1 1    7  -26    4 o  203.878   11.033  530.930   55.963  550.456   71.893  500.906   89.147  206.183   14.047  194.044   18.626 12.13927 23.32927 
1 1 1    7  -26    5 o   86.672   12.887   98.547   27.044   94.243   30.966  112.386   55.520   83.921   15.342   88.598   24.344 -4.676872 28.77513 
1 1 1    7  -26    6 o   59.706   15.256   48.380   22.831   52.775   25.500   30.622   51.259   62.195   16.242   58.129   23.272 4.066547 28.37940 
1 1 1    7  -26    7 o  121.158   12.149  191.306   36.262  200.087   43.300  170.687   66.352  122.932   14.376  107.451   25.170 15.48183 28.98623 
1 1 1    7  -26    8 o   38.454   15.243   12.130   21.782   15.631   22.069 -119.9307  135.539   40.278   15.524   61.003   29.461 -20.72461 33.30096 
1 1 1    7  -26    9 o   22.899   10.706 -13.8229   15.205 -17.6956   15.889   28.254   52.374   22.469   10.639   56.285   23.155 -33.81651 25.48203 
1 1 1    7  -26   10 o   32.924   13.650   5.4678   18.392  -0.3828   19.438   55.494   56.840   31.229   13.525   64.429   24.891 -33.19999 28.32799 
1 1 1    7  -26   11 o  114.631   12.729  176.412   35.823  189.533   41.494  138.010   70.988  117.742   14.413   89.279   28.343 28.46258 31.79723 
1 1 1    7  -26   12 o   79.111   22.713  100.211   47.226  116.845   64.570   81.078   69.250   81.722   27.115   70.381   27.395 11.34116 38.54488 
1 1 1    7  -26   13 o   44.414   19.450   6.9697   41.162   16.487   55.490  -4.6738   61.377   51.337   22.530   48.954   22.392 2.383663 31.76542 
1 1 1    7  -26   14 o   64.367   22.738   68.282   45.579   56.210   61.582   82.906   67.780   60.980   25.099   68.117   26.925 -7.136745 36.80936 
1 1 1    7  -26   15 o   51.236   21.404   31.346   45.724  106.291   63.679 -48.4178   65.695   73.937   26.787   42.890   20.663 31.04725 33.83002 
1 1 1    7  -25    0 o  130.748   14.059  220.486   45.182  376.507   66.215   84.550   61.806  170.650   15.715   80.157   26.525 90.49330 30.83097 
1 1 1    7  -25    1 f  229.945   10.296  668.359   59.121  620.852   79.365  727.586   88.616  219.848   14.538  237.860   14.996 -18.01250 20.88634 
1 1 1    7  -25    2 o  111.706   11.246  159.726   30.944  152.446   38.074  173.892   53.111  108.245   14.446  114.068   19.336 -5.823486 24.13624 
1 1 1    7  -25    3 o  165.994   11.659  351.688   48.021  439.208   63.039  230.682   74.124  184.838   13.756  129.640   23.773 55.19824 27.46568 
1 1 1    7  -25    4 o  239.041   11.659  726.796   69.599  796.367   93.480  640.263  104.254  248.240   15.152  220.258   19.145 27.98244 24.41552 
1 1 1    7  -25    5 o   56.000   20.973   33.519   39.588   73.432   54.657 -10.5256   57.417   74.388   24.953   51.211   22.677 23.17751 33.71838 
1 1 1    7  -25    6 o   75.677   13.752   75.788   25.031   72.124   28.397   88.558   53.010   73.181   15.986   79.723   24.370 -6.541649 29.14561 
1 1 1    7  -25    7 o   38.917   14.639   15.062   19.327   24.316   21.041 -34.8731   48.879   44.900   15.476   41.997   19.485 2.902885 24.88340 
1 1 1    7  -25    8 o  113.630   11.877  167.527   33.202  170.511   38.604  159.045   65.082  113.892   13.859  104.396   25.242 9.496056 28.79677 
1 1 1    7  -25    9 o   71.079   15.507   68.926   26.751   74.710   29.876   45.537   60.079   73.685   16.631   64.449   25.389 9.235870 30.35139 
1 1 1    7  -25   10 o   55.419   17.674   41.558   27.581   49.068   28.083 -162.8936  146.521   59.529   17.637   60.363   29.486 -0.8339767 34.35846 
1 1 1    7  -25   11 o  107.994   12.575  154.478   33.277  154.950   38.093  152.959   68.373  107.118   14.623   98.138   27.036 8.980103 30.73720 
1 1 1    7  -25   12 o   67.762   15.598   64.432   25.847   75.781   28.515   12.157   61.201   73.425   16.004   54.307   23.752 19.11800 28.64027 
1 1 1    7  -25   13 o  114.207   12.574  175.081   35.266  187.230   40.555  137.403   71.418  117.088   14.158   88.649   28.459 28.43852 31.78621 
1 1 1    7  -25   14 o   47.757   20.079   18.344   40.639 -32.6476   54.489   82.266   61.007   42.444   19.977   70.453   26.105 -28.00939 32.87148 
1 1 1    7  -25   15 o   47.861   20.387   18.120   42.811  -1.7206   57.618   42.574   63.966   48.184   21.907   58.806   24.982 -10.62180 33.22659 
1 1 1    7  -25   16 o   55.834   21.896   45.059   44.496   56.548   59.751   30.756   66.670   60.731   24.828   55.797   24.586 4.934017 34.94130 
1 1 1    7  -25   17 o   55.533   22.028   46.281   45.514   26.887   63.698   66.512   65.058   53.494   23.777   62.312   25.739 -8.817696 35.04058 
1 1 1    7  -24    0 o  151.771   10.081  291.799   37.990  338.160   50.658  232.220   57.428  162.816   12.557  133.231   17.699 29.58496 21.70074 
1 1 1    7  -24    1 o  135.715   13.786  236.815   46.075  227.922   55.588  256.335   82.355  132.046   17.272  137.108   24.974 -5.062225 30.36458 
1 1 1    7  -24    2 o  252.398   10.675  805.313   67.282  809.331   91.993  800.692   98.659  251.236   14.727  249.337   15.929 1.899689 21.69360 
1 1 1    7  -24    3 o   61.586   14.294   50.334   21.559   51.866   24.906   45.755   43.055   62.377   15.932   62.254   22.088 0.1232986 27.23418 
1 1 1    7  -24    4 o   69.879   13.117   64.141   22.048   57.975   25.314   83.521   44.878   65.910   15.619   78.345   22.022 -12.43518 26.99887 
1 1 1    7  -24    5 o  235.725   11.055  704.538   65.077  739.430   87.146  660.554   97.844  239.716   14.628  225.058   17.548 14.65793 22.84562 
1 1 1    7  -24    6 o  174.659   10.652  388.111   46.237  423.549   59.368  333.480   73.713  181.611   13.180  158.642   18.984 22.96870 23.11102 
1 1 1    7  -24    7 o  113.189   17.774  170.802   48.583  211.156   67.291  126.863   70.216  123.943   22.573   94.236   27.881 29.70701 35.87305 
1 1 1    7  -24    8 o   86.906   13.721   99.310   28.789  117.037   32.853   40.661   59.757   94.272   14.414   64.468   25.345 29.80340 29.15691 
1 1 1    7  -24    9 o  169.612   11.550  369.500   48.630  416.484   60.664  285.022   81.344  179.146   13.664  142.646   23.665 36.49962 27.32641 
1 1 1    7  -24   10 o  136.924   11.486  242.064   38.910  265.234   46.392  187.099   71.454  142.650   13.172  112.974   25.883 29.67566 29.04209 
1 1 1    7  -24   11 o   39.711   15.265   15.036   21.298   14.074   21.535   58.071  143.983   39.366   15.289   82.354   36.214 -42.98782 39.30927 
1 1 1    7  -24   12 o  100.381   13.324  133.909   32.574  155.223   37.294   65.340   66.893  107.762   14.205   70.421   27.057 37.34113 30.55960 
1 1 1    7  -24   13 o   77.125   15.486   82.263   28.789  102.073   32.347   6.7868   63.139   86.058   15.628   54.409   23.952 31.64896 28.59925 
1 1 1    7  -24   14 o   54.569   16.090   41.793   23.419   40.894   25.541   46.535   58.683   54.089   16.980   61.739   24.836 -7.649178 30.08530 
1 1 1    7  -24   15 o   37.405   17.264 -18.7491   37.631   4.0518   51.363 -45.1704   55.291   48.376   21.434   41.297   19.639 7.079205 29.07057 
1 1 1    7  -24   16 o   49.758   20.436   25.332   40.713   21.284   54.209   30.571   61.661   52.475   22.656   56.387   24.254 -3.912018 33.18980 
1 1 1    7  -24   17 f   59.936   22.323   55.186   44.726   34.373   60.779   79.770   66.055   56.162   24.117   68.011   26.676 -11.84951 35.96152 
1 1 1    7  -24   18 o   52.182   21.472   33.830   45.052   12.069   61.783   58.541   65.838   50.967   22.975   61.371   25.665 -10.40405 34.44648 
1 1 1    7  -23    0 o  128.484   9.8736  209.183   31.437  223.682   42.075  190.859   47.299  132.225   12.907  121.223   16.017 11.00123 20.57053 
1 1 1    7  -23    1 o   90.966   11.188  106.071   24.879  108.729   31.496  101.660   40.572   91.406   14.264   87.117   19.170 4.289215 23.89472 
1 1 1    7  -23    2 o  172.939   9.5722  377.944   41.177  361.727   54.625  399.287   62.668  168.296   13.101  176.485   14.344 -8.188904 19.42609 
1 1 1    7  -23    3 o  191.878   14.513  472.157   69.026  499.874   89.080  430.506  109.199  195.916   18.424  178.539   25.193 17.37718 31.21096 
1 1 1    7  -23    4 o   90.856   11.664  106.206   25.852  112.899   31.382   92.075   45.600   93.168   13.915   82.317   21.828 10.85149 25.88570 
1 1 1    7  -23    5 o   84.691   12.195   92.819   25.047   90.319   29.866   98.747   45.983   82.822   14.992   85.124   21.598 -2.301712 26.29118 
1 1 1    7  -23    6 o   61.690   14.294   50.541   21.588   52.359   24.725   44.708   44.290   62.643   15.806   62.118   22.363 0.5250130 27.38511 
1 1 1    7  -23    7 o  318.306   12.570  1290.12   99.912  1370.87  136.965  1198.27  146.068  325.168   16.926  302.160   19.462 23.00803 25.79245 
1 1 1    7  -23    8 o  161.078   13.893  334.628   55.337  370.430   84.628  307.887   73.139  166.394   20.823  152.035   19.730 14.35983 28.68531 
1 1 1    7  -23    9 o  228.291   13.090  669.140   74.312  814.143   89.710  352.091  132.652  251.196   14.361  152.025   35.573 99.17053 38.36243 
1 1 1    7  -23   10 o  113.557   11.938  166.436   33.346  189.302   39.187  106.430   63.482  120.761   13.210   86.578   26.703 34.18343 29.79202 
1 1 1    7  -23   11 o   40.627   14.902   17.760   19.796   15.555   21.277   31.965   53.997   40.210   15.305   59.754   23.899 -19.54385 28.37931 
1 1 1    7  -23   12 o   78.410   14.160   82.207   26.706   81.850   29.798   83.663   60.209   77.638   15.904   77.026   26.188 0.6111984 30.63942 
1 1 1    7  -23   13 o   74.735   18.213   78.183   33.680   80.003   34.457   39.160  159.530   75.534   18.431   81.680   36.860 -6.146164 41.21129 
1 1 1    7  -23   14 o  117.417   12.583  181.745   36.321  200.481   42.309  129.251   70.819  122.595   14.075   90.178   28.269 32.41714 31.57894 
1 1 1    7  -23   15 o   54.362   16.116   41.061   23.444   60.742   25.538 -64.4137   59.119   65.862   15.741   41.169   19.774 24.69218 25.27480 
1 1 1    7  -23   16 o   59.507   16.222   50.417   24.767   63.839   27.300 -12.0080   58.875   66.846   16.463   48.373   22.051 18.47361 27.51855 
1 1 1    7  -23   17 o   59.873   21.964   51.875   43.007   96.132   58.720   0.6646   63.165   75.714   25.862   51.344   23.180 24.36974 34.72962 
1 1 1    7  -23   18 o   48.742   20.388   21.783   41.562 -22.8865   56.255   75.468   61.671   44.341   20.684   67.631   25.981 -23.29005 33.20908 
1 1 1    7  -23   19 o   37.494   17.537 -22.8231   40.892 -35.3426   55.901  -8.4130   59.974   41.832   19.851   47.380   21.842 -5.548008 29.51456 
1 1 1    7  -23   20 o   72.650   24.229   94.671   51.532  145.548   71.683   40.256   74.134   84.427   28.575   57.975   25.716 26.45235 38.44279 
1 1 1    7  -22    0 o  334.943   11.845  1417.57   99.072  1356.49  139.013  1480.61  141.232  325.107   17.184  340.361   16.617 -15.25479 23.90399 
1 1 1    7  -22    1 o  248.886   10.465  780.940   65.044  803.352   90.568  757.066   93.473  250.926   14.516  243.212   15.471 7.713928 21.21433 
1 1 1    7  -22    2 o  190.985   9.9022  460.718   47.064  476.979   64.061  441.647   69.373  193.443   13.343  185.569   15.101 7.873611 20.15162 
1 1 1    7  -22    3 o  256.207   10.973  828.936   70.202  868.139   97.074  785.954  101.645  260.528   14.984  247.194   16.562 13.33395 22.33442 
1 1 1    7  -22    4 o  114.543   10.412  166.871   29.457  174.821   37.264  153.626   48.096  116.679   13.011  107.748   18.544 8.930870 22.65293 
1 1 1    7  -22    5 o  312.917   17.792  1265.58  138.457  1354.16  189.674  1164.55  202.577  319.395   23.956  292.897   28.039 26.49817 36.87903 
1 1 1    7  -22    6 o  127.823   10.864  207.989   34.348  227.489   43.750  176.656   55.458  133.100   13.342  115.060   20.029 18.03973 24.06616 
1 1 1    7  -22    7 o   89.608   11.899  103.530   25.967  101.055   30.817  109.589   48.222   87.849   14.557   89.654   21.759 -1.805115 26.17985 
1 1 1    7  -22    8 o   91.514   12.393  108.275   27.592  131.587   32.194   43.767   53.554  100.858   13.091   64.471   24.343 36.38633 27.63948 
1 1 1    7  -22    9 o  215.817   10.415  589.443   56.131  568.203   72.708  620.778   88.312  210.365   13.919  218.837   16.277 -8.471924 21.41671 
1 1 1    7  -22   10 o   84.472   20.320   97.547   42.342  148.000   56.531   33.069   63.907  103.638   22.489   64.227   25.889 39.41164 34.29283 
1 1 1    7  -22   11 o   55.705   15.344   41.373   22.025   54.044   24.257 -18.1393   52.568   63.449   15.453   47.366   21.287 16.08287 26.30460 
1 1 1    7  -22   12 o  107.118   12.493  148.833   32.789  165.830   38.237  101.610   63.736  112.672   13.884   84.743   26.851 27.92930 30.22838 
1 1 1    7  -22   13 o   89.800   13.610  106.362   29.564  119.226   33.795   64.414   61.026   94.762   14.762   71.248   26.160 23.51460 30.03750 
1 1 1    7  -22   14 o  131.762   11.952  225.363   38.897  258.846   45.869  139.637   73.395  140.706   13.209   95.660   28.551 45.04543 31.45873 
1 1 1    7  -22   15 o   48.033   16.164   29.565   22.936   28.600   23.137   84.435  174.457   47.541   16.234   87.708   39.143 -40.16724 42.37570 
1 1 1    7  -22   16 o   57.252   16.193   45.549   24.186   55.954   26.570  -4.7585   58.422   63.172   16.619   50.655   22.626 12.51709 28.07345 
1 1 1    7  -22   17 o   66.635   16.089   62.692   26.469   54.540   29.426   97.252   60.586   61.683   17.992   78.122   26.272 -16.43920 31.84213 
1 1 1    7  -22   18 o   54.872   21.212   37.805   41.299   12.842   55.814   68.009   61.394   51.980   22.710   67.374   25.913 -15.39356 34.45614 
1 1 1    7  -22   19 o   35.406   16.695 -29.9932   38.384 -20.7029   52.460 -40.6970   56.309   43.568   20.205   41.996   19.927 1.572178 28.37783 
1 1 1    7  -22   20 o   54.394   21.675   38.540   44.257   14.385   61.188   65.039   64.090   52.305   23.274   64.409   25.939 -12.10383 34.84948 
1 1 1    7  -22   21 o   44.187   20.791 -24.9702   58.946   0.0000   0.0000 -24.9702   58.946  ?   ?    44.187   20.791 0.000000 20.79122 
1 1 1    7  -21    0 o  518.261   16.937  3428.40  219.196  3538.76  309.695  3317.63  310.285  521.026   23.803  503.698   24.668 17.32755 34.27958 
1 1 1    7  -21    1 o   98.445   15.347  126.059   36.498  106.593   51.705  145.391   51.528   88.863   23.090  104.494   20.479 -15.63163 30.86353 
1 1 1    7  -21    2 o  127.632   9.7913  206.206   30.969  239.847   41.604  164.402   46.377  137.207   12.272  112.198   17.093 25.00912 21.04213 
1 1 1    7  -21    3 o  247.033   9.9736  768.565   61.526  721.501   84.979  820.415   89.195  237.841   14.375  253.760   14.132 -15.91963 20.15833 
1 1 1    7  -21    4 o  150.974   9.4694  287.996   35.520  296.054   47.034  277.302   54.186  152.430   12.466  146.829   14.988 5.601288 19.49468 
1 1 1    7  -21    5 o  139.220   9.8654  245.395   34.076  263.949   44.413  218.844   53.130  143.832   12.489  129.699   16.799 14.13260 20.93270 
1 1 1    7  -21    6 o  182.113   10.196  419.530   46.183  451.594   61.562  378.257   69.845  188.165   13.185  171.064   16.557 17.10072 21.16577 
1 1 1    7  -21    7 f  241.602   14.980  747.949   89.935  726.456  118.488  777.161  138.136  235.584   20.340  242.124   23.128 -6.540161 30.79962 
1 1 1    7  -21    8 o  163.975   9.9055  340.387   40.370  346.166   51.331  331.016   65.364  164.683   12.577  159.724   16.632 4.959045 20.85158 
1 1 1    7  -21    9 o  340.075   12.910  1470.72  109.638  1523.97  151.197  1411.68  159.218  343.032   17.711  328.891   19.473 14.14185 26.32239 
1 1 1    7  -21   10 o  329.065   12.388  1376.38  101.796  1432.66  139.360  1312.01  149.050  332.869   16.820  317.076   18.910 15.79233 25.30829 
1 1 1    7  -21   11 o  199.101   10.635  503.365   52.685  535.489   67.467  453.161   84.342  204.431   13.288  185.791   18.422 18.64023 22.71414 
1 1 1    7  -21   12 f   70.990   20.841   68.178   39.367   89.331   52.465   40.920   59.555   80.582   24.160   64.993   25.375 15.58904 35.03658 
1 1 1    7  -21   13 o  140.283   10.923  251.640   37.963  268.550   45.465  212.698   68.994  144.348   12.744  123.942   23.143 20.40514 26.41933 
1 1 1    7  -21   14 o   71.538   15.074   68.720   26.078   80.384   29.418   25.926   56.348   77.297   15.775   59.030   24.119 18.26685 28.81977 
1 1 1    7  -21   15 o   78.232   14.532   81.949   27.344   98.041   30.896   23.790   58.736   85.575   15.005   58.780   24.382 26.79470 28.62957 
1 1 1    7  -21   16 o  128.580   17.114  223.818   53.587  227.816   56.036  181.057  183.266  129.330   17.824  102.427   42.826 26.90290 46.38747 
1 1 1    7  -21   17 o   84.323   14.316   96.000   29.068  103.071   32.786   70.021   62.842   86.822   15.700   71.186   26.471 15.63688 30.77659 
1 1 1    7  -21   18 o  167.721   12.767  371.828   53.071  434.604   62.995  218.309   98.512  180.318   14.102  110.675   33.088 69.64324 35.96798 
1 1 1    7  -21   19 o  117.858   13.720  187.823   39.623  230.924   46.050   64.909   77.765  130.329   14.389   68.932   28.269 61.39640 31.72065 
1 1 1    7  -21   20 f   72.333   22.706   82.703   45.671  112.531   64.301   52.336   64.880   80.831   27.066   62.969   25.822 17.86116 37.40774 
1 1 1    7  -21   21 f   54.357   21.591   37.548   43.782   53.616   60.983   20.457   62.894   61.736   25.143   54.402   23.928 7.333336 34.70928 
1 1 1    7  -21   22 o   45.732   19.975   10.366   43.160   5.8011   59.719   15.357   62.446   49.938   22.543   52.457   23.414 -2.518497 32.50214 
1 1 1    7  -21   23 o   56.317   22.544   46.816   48.097   61.616   68.073   32.064   67.965   61.829   25.991   55.653   24.657 6.175880 35.82644 
1 1 1    7  -20    0 o  235.879   10.016  699.542   58.997  711.277   82.795  687.438   84.088  236.653   14.074  232.503   14.556 4.150162 20.24725 
1 1 1    7  -20    1 o  313.896   11.864  1242.85   92.997  1314.64  130.988  1169.90  132.054  320.962   16.398  302.244   17.572 18.71783 24.03454 
1 1 1    7  -20    2 o  291.065   11.207  1067.90   81.454  1061.72  114.133  1074.32  116.284  288.427   15.908  290.055   16.118 -1.627472 22.64593 
1 1 1    7  -20    3 o  248.340   14.932  786.348   92.169  761.604  129.803  811.512  130.898  241.611   21.747  249.722   21.191 -8.111008 30.36403 
1 1 1    7  -20    4 o  207.989   9.8218  544.450   51.013  518.060   69.930  574.468   74.581  201.611   13.976  212.297   14.149 -10.68646 19.88802 
1 1 1    7  -20    5 o   41.113   13.363   20.750   15.712   23.022   17.977   13.401   32.331   43.463   14.302   45.855   18.438 -2.391708 23.33507 
1 1 1    7  -20    6 o  226.342   9.8043  645.160   55.415  626.043   75.530  667.448   81.554  221.660   13.713  228.683   14.354 -7.022552 19.85120 
1 1 1    7  -20    7 f  401.848   13.818  2051.91  138.661  2094.92  194.310  2007.28  197.932  402.708   19.322  393.108   20.232 9.600128 27.97606 
1 1 1    7  -20    8 o  184.854   13.621  436.482   62.433  403.576   78.539  492.972  102.905  176.191   18.108  193.337   21.688 -17.14607 28.25387 
1 1 1    7  -20    9 o  161.340   9.9245  329.426   39.791  312.688   50.815  355.961   63.981  156.381   13.134  166.153   15.603 -9.771729 20.39489 
1 1 1    7  -20   10 o   52.467   14.337   36.244   19.319   35.298   21.548   40.120   43.617   52.106   15.452   60.380   22.124 -8.273922 26.98569 
1 1 1    7  -20   11 o  155.431   10.341  306.527   39.908  301.391   49.906  315.635   66.463  153.366   13.158  155.527   17.411 -2.161942 21.82438 
1 1 1    7  -20   12 o  272.878   11.676  944.720   79.564  957.648  106.399  928.321  119.835  272.588   15.697  267.018   18.078 5.570221 23.94219 
1 1 1    7  -20   13 o   87.351   18.662  102.933   39.472  122.647   55.673   83.007   55.973   94.024   23.714   78.560   25.192 15.46432 34.59762 
1 1 1    7  -20   14 o  149.864   11.870  287.704   44.057  322.035   51.560  194.812   84.812  158.154   13.175  115.933   29.286 42.22146 32.11309 
1 1 1    7  -20   15 o  145.394   11.534  271.174   41.535  314.294   50.235  178.003   73.843  156.046   13.010  111.129   26.898 44.91698 29.87942 
1 1 1    7  -20   16 o  142.236   11.358  260.230   40.007  281.515   48.068  212.245   72.174  147.230   13.215  122.045   24.532 25.18459 27.86500 
1 1 1    7  -20   17 o  107.639   13.192  152.144   34.718  185.658   40.450   58.396   67.654  118.740   13.905   70.059   27.131 48.68052 30.48639 
1 1 1    7  -20   18 o  140.866   16.845  268.766   58.080  256.876   60.494  408.897  207.679  136.847   18.150  134.139   48.409 2.708511 51.69920 
1 1 1    7  -20   19 o   33.492   14.023   4.3709   19.688   13.719   21.058 -60.5416   55.489   38.647   15.089   40.310   19.307 -1.662685 24.50380 
1 1 1    7  -20   20 o   44.922   16.967   22.784   26.023   22.261   29.421   24.662   55.785   45.967   17.866   55.561   23.452 -9.593533 29.48160 
1 1 1    7  -20   21 o  121.470   26.792  242.911   79.085  242.911   79.085   0.0000   0.0000  121.470   26.792  ?   ?  0.000000 26.79151 
1 1 1    7  -20   22 o   93.282   27.567  153.770   68.678  153.770   68.678   0.0000   0.0000   93.282   27.567  ?   ?  0.000000 27.56661 
1 1 1    7  -20   23 o   71.919   27.160   91.709   66.679   91.709   66.679   0.0000   0.0000   71.919   27.160  ?   ?  0.000000 27.16047 
1 1 1    7  -20   24 o   53.386   22.263   34.468   49.342   10.295   66.907   63.288   73.056   52.072   23.648   63.250   26.775 -11.17831 35.72303 
1 1 1    7  -19    0 f  766.833   24.137  7596.91  462.210  7829.57  653.709  7364.31  653.620  765.674   34.189  740.949   35.325 24.72552 49.16079 
1 1 1    7  -19    1 o  232.816   10.113  681.176   58.798  657.232   82.408  706.005   83.918  227.448   14.586  235.842   14.317 -8.393448 20.43817 
1 1 1    7  -19    2 o  296.544   11.113  1107.16   82.296  1058.98  115.473  1156.88  117.317  288.288   16.104  301.528   15.634 -13.24008 22.44503 
1 1 1    7  -19    3 o  425.511   14.577  2295.00  154.895  2472.15  218.615  2116.43  219.495  438.772   19.952  404.364   21.818 34.40811 29.56538 
1 1 1    7  -19    4 o  140.267   9.2882  248.309   32.350  252.132   43.773  243.707   48.020  140.728   12.589  137.990   14.135 2.737427 18.92827 
1 1 1    7  -19    5 o  394.496   19.623  2001.93  193.312  1973.80  272.975  2030.22  273.796  384.544   28.632  390.328   28.281 -5.784271 40.24448 
1 1 1    7  -19    6 o  102.164   9.8483  132.545   24.814  134.626   31.493  129.137   40.298  102.438   12.575   99.265   16.860 3.172737 21.03331 
1 1 1    7  -19    7 f  163.390   9.7568  337.211   39.628  350.159   52.904  320.660   59.814  165.814   12.878  157.970   15.357 7.843399 20.04158 
1 1 1    7  -19    8 o  307.087   11.811  1192.06   90.572  1164.44  125.640  1221.93  130.686  301.212   16.770  308.447   17.033 -7.235168 23.90285 
1 1 1    7  -19    9 o  252.176   10.926  802.738   68.804  791.220   94.102  815.968  100.855  248.655   15.228  252.172   16.100 -3.516418 22.16085 
1 1 1    7  -19   10 o  132.952   13.404  226.645   43.896  193.423   50.371  331.512   89.494  121.705   17.041  157.396   23.488 -35.69159 29.01893 
1 1 1    7  -19   11 o  206.283   10.393  538.373   53.367  539.731   70.341  536.531   81.918  205.527   13.785  204.032   16.212 1.495178 21.28023 
1 1 1    7  -19   12 o  278.424   11.097  980.505   77.156  957.129  103.947  1009.18  115.138  273.114   15.303  279.830   16.550 -6.716217 22.54090 
1 1 1    7  -19   13 o  110.987   11.101  157.410   30.353  164.048   36.096  141.382   56.088  112.845   13.050  101.721   22.661 11.12340 26.15008 
1 1 1    7  -19   14 o  242.204   10.960  743.057   66.291  769.998   86.616  704.961  102.998  244.984   14.219  232.575   17.871 12.40894 22.83774 
1 1 1    7  -19   15 o  104.195   17.744  144.620   44.514  166.409   59.653  117.240   66.868  110.121   22.454   91.390   27.247 18.73067 35.30678 
1 1 1    7  -19   16 o   98.900   12.753  126.993   30.762  142.682   35.280   77.223   62.835  104.581   13.850   76.791   26.728 27.78991 30.10292 
1 1 1    7  -19   17 o   74.218   14.177   73.316   25.317   79.979   28.286   46.474   56.768   77.291   15.197   65.149   24.951 12.14130 29.21457 
1 1 1    7  -19   18 o  137.336   11.312  243.126   38.449  290.035   46.033  134.889   69.924  149.607   12.434   95.116   27.733 54.49135 30.39260 
1 1 1    7  -19   19 o   74.878   18.812   78.684   35.131   78.684   35.131   0.0000   0.0000   74.878   18.812  ?   ?  0.000000 18.81216 
1 1 1    7  -19   20 o   74.071   22.814   80.481   46.356  180.098   61.456 -51.0201   70.609  110.669   22.989   48.174   22.694 62.49502 32.30320 
1 1 1    7  -19   21 o  177.403   14.808  423.994   64.999  423.994   64.999   0.0000   0.0000  177.403   14.808  ?   ?  0.000000 14.80753 
1 1 1    7  -19   22 o   95.751   14.068  125.183   32.635  112.598   35.935  184.428   77.965   89.189   16.749  103.467   29.006 -14.27766 33.49501 
1 1 1    7  -19   23 o  123.535   19.315  224.299   57.633  207.273   79.762  242.900   83.368  108.267   28.944  118.327   28.544 -10.06005 40.65078 
1 1 1    7  -19   24 o   74.915   23.763   93.003   49.907  117.868   69.293   66.203   71.939   80.282   28.061   65.945   27.134 14.33727 39.03393 
1 1 1    7  -19   25 o   63.285   23.509   64.874   49.542   55.494   69.174   74.752   70.986   61.877   26.116   66.475   27.106 -4.598682 37.64017 
1 1 1    7  -18    0 f  381.778   18.497  1850.46  176.348  2245.71  249.748  1457.46  249.040  417.572   24.053  333.056   30.274 84.51624 38.66574 
1 1 1    7  -18    1 o  299.855   11.290  1130.26   84.541  1164.64  119.258  1095.53  119.861  303.007   15.816  293.677   16.410 9.329315 22.79074 
1 1 1    7  -18    2 o  198.342   9.4196  493.695   46.655  506.286   65.307  480.572   66.675  199.955   13.152  194.650   13.807 5.305817 19.06853 
1 1 1    7  -18    3 o  431.349   14.518  2353.51  156.383  2370.31  220.562  2336.52  221.760  430.120   20.535  426.900   20.802 3.219208 29.23022 
1 1 1    7  -18    4 o  235.180   9.9458  695.134   58.410  698.777   81.469  691.281   83.790  234.654   13.966  233.254   14.456 1.399994 20.10078 
1 1 1    7  -18    5 o  271.700   10.884  929.439   73.846  942.589  103.310  915.700  105.596  272.120   15.265  267.999   15.849 4.121124 22.00452 
1 1 1    7  -18    6 o  142.302   13.121  258.159   46.102  203.466   63.799  317.929   66.695  123.974   21.380  156.946   17.305 -32.97169 27.50582 
1 1 1    7  -18    7 o  252.859   14.959  814.954   94.036  811.899  132.503  818.055  133.477  249.728   21.456  250.642   21.535 -0.9136047 30.39901 
1 1 1    7  -18    8 o   81.696   11.013   85.632   21.895   79.123   26.818   98.641   37.915   77.780   14.336   86.192   18.187 -8.412209 23.15776 
1 1 1    7  -18    9 o  272.382   11.257  936.361   76.569  979.425  105.860  889.111  110.885  276.900   15.370  263.135   16.965 13.76480 22.89231 
1 1 1    7  -18   10 o  178.776   9.2746  403.153   41.263  379.094   54.150  436.468   63.720  172.583   12.653  184.896   13.902 -12.31262 18.79811 
1 1 1    7  -18   11 o   90.255   10.988  104.301   24.253   91.905   28.618  135.895   45.689   83.937   14.157  101.224   18.766 -17.28704 23.50722 
1 1 1    7  -18   12 o  269.607   15.966  932.748  107.013  911.527  140.661  961.911  164.891  263.624   21.555  268.778   24.848 -5.154022 32.89469 
1 1 1    7  -18   13 o  238.184   10.471  716.174   62.283  672.571   82.531  773.860   94.927  229.249   14.491  245.518   15.564 -16.26936 21.26538 
1 1 1    7  -18   14 o  219.880   10.754  611.111   59.046  660.709   77.368  541.926   91.377  227.385   13.689  204.069   18.120 23.31520 22.70935 
1 1 1    7  -18   15 o  220.798   10.920  616.994   60.211  636.353   78.068  588.570   94.596  222.826   14.103  212.549   17.991 10.27609 22.85969 
1 1 1    7  -18   16 o  232.767   10.704  686.161   62.219  678.171   79.578  698.727   99.800  229.900   13.927  231.660   17.378 -1.759995 22.27020 
1 1 1    7  -18   17 o  145.027   15.471  274.128   55.164  338.608   76.403  203.910   79.729  159.454   19.600  119.705   27.280 39.74870 33.59095 
1 1 1    7  -18   18 o  190.313   11.178  462.826   52.889  506.434   65.670  382.324   89.225  198.159   13.349  167.587   21.839 30.57190 25.59589 
1 1 1    7  -18   19 o  254.483   14.659  844.028   92.764  978.538  138.072  733.357  125.240  268.576   20.748  231.245   21.951 37.33054 30.20456 
1 1 1    7  -18   20 o  189.171   14.081  468.898   66.043  468.898   66.043   0.0000   0.0000  189.171   14.081  ?   ?  0.000000 14.08124 
1 1 1    7  -18   21 o  124.977   18.362  215.665   55.597  215.665   55.597   0.0000   0.0000  124.977   18.362  ?   ?  0.000000 18.36195 
1 1 1    7  -18   22 o  131.984   12.365  229.655   40.280  250.392   46.639  168.787   79.903  136.979   13.824  100.741   29.724 36.23807 32.78123 
1 1 1    7  -18   23 o   77.623   16.189   84.836   30.365  101.247   33.759   15.304   69.488   84.787   16.538   57.181   25.151 27.60625 30.10140 
1 1 1    7  -18   24 o  133.445   18.563  256.918   60.183  264.580   83.718  248.724   86.576  126.001   27.388  119.690   29.221 6.310959 40.04969 
1 1 1    7  -18   25 o   50.500   21.198   22.789   45.169 -43.3427   61.876   98.231   66.089   43.788   20.810   75.192   27.281 -31.40438 34.31203 
1 1 1    7  -18   26 o  124.779   20.514  239.339   61.698  325.098   87.620  155.002   86.891  137.714   26.440   86.326   31.288 51.38786 40.96340 
1 1 1    7  -18   27 o   75.082   24.902  101.871   54.462   99.876   75.879  103.991   78.217   71.240   28.384   72.049   28.782 -0.8089600 40.42327 
1 1 1    7  -17    0 o   89.203   9.7010  100.886   21.261  123.761   29.941   77.620   30.196   98.491   12.452   77.030   16.211 21.46030 20.44119 
1 1 1    7  -17    1 o  160.280   9.0973  322.928   36.262  340.878   50.894  304.422   51.678  164.211   12.505  154.965   13.489 9.245605 18.39380 
1 1 1    7  -17    2 o  522.463   24.342  3503.54  317.592  3671.76  448.833  3334.85  449.455  526.927   34.297  500.494   36.206 26.43295 49.87122 
1 1 1    7  -17    3 o  547.173   17.650  3798.41  241.162  3800.49  340.697  3796.31  341.413  542.925   25.129  542.580   25.198 0.3452148 35.58664 
1 1 1    7  -17    4 o  393.756   13.546  1955.91  133.194  1943.47  187.734  1968.52  189.002  390.466   19.253  392.971   19.260 -2.505035 27.23308 
1 1 1    7  -17    5 o   97.463   9.3365  120.313   22.445  116.046   29.489  126.190   34.607   95.115   12.735   98.903   14.437 -3.788383 19.25148 
1 1 1    7  -17    6 o  190.845   9.2250  457.320   43.964  440.792   60.469  475.855   64.034  186.398   13.074  193.645   13.323 -7.247055 18.66611 
1 1 1    7  -17    7 o  138.092   8.9497  240.431   30.696  237.143   40.946  244.650   46.383  136.586   12.131  138.441   13.592 -1.854904 18.21804 
1 1 1    7  -17    8 o  326.958   17.205  1367.65  139.981  1322.02  197.172  1414.01  198.763  317.197   25.097  328.543   24.401 -11.34628 35.00385 
1 1 1    7  -17    9 o  220.497   9.9130  611.716   54.583  599.545   74.398  625.903   80.327  217.102   13.795  221.600   14.598 -4.497498 20.08429 
1 1 1    7  -17   10 o  214.878   9.7903  581.023   52.534  573.646   71.210  589.832   77.818  212.360   13.498  215.019   14.579 -2.659683 19.86825 
1 1 1    7  -17   11 o  220.006   10.449  609.971   57.405  631.048   77.801  584.785   85.048  222.522   14.074  213.516   16.069 9.005386 21.36050 
1 1 1    7  -17   12 o  193.031   9.9001  470.464   47.561  444.940   62.682  505.102   73.019  186.803   13.529  198.691   14.823 -11.88786 20.06886 
1 1 1    7  -17   13 o  283.907   16.422  1034.55  115.928  1029.08  154.301  1041.63  175.664  280.016   22.250  279.682   25.430 0.3333740 33.78941 
1 1 1    7  -17   14 o   86.683   12.047   96.872   25.373  102.330   29.929   82.927   47.839   88.682   13.978   78.611   22.944 10.07087 26.86645 
1 1 1    7  -17   15 o  232.575   10.391  682.829   60.347  653.555   78.860  724.195   93.744  226.113   14.036  237.292   15.912 -11.17860 21.21784 
1 1 1    7  -17   16 o  230.001   10.889  669.032   62.540  648.710   81.488  698.158   97.554  224.909   14.588  232.310   16.933 -7.401459 22.34984 
1 1 1    7  -17   17 o  515.989   17.062  3438.73  219.853  3355.17  305.398  3528.61  316.752  501.033   24.409  513.406   24.706 -12.37302 34.73035 
1 1 1    7  -17   18 o   64.036   20.473   53.529   36.990   24.888   50.536   86.581   54.288   57.332   23.053   79.707   24.712 -22.37484 33.79509 
1 1 1    7  -17   19 o  164.503   14.943  351.854   60.716  456.427   87.179  253.356   84.609  185.320   19.113  133.891   26.244 51.42848 32.46572 
1 1 1    7  -17   20 o  282.293   12.502  1022.76   88.128  1004.05  112.261  1052.82  142.266  276.656   16.322  279.468   20.529 -2.812042 26.22673 
1 1 1    7  -17   21 o  163.806   12.003  346.894   48.757  349.897   57.209  338.925   93.202  163.440   14.157  153.554   25.179 9.885239 28.88580 
1 1 1    7  -17   22 o   73.561   18.991   76.320   35.124   76.320   35.124   0.0000   0.0000   73.561   18.991  ?   ?  0.000000 18.99069 
1 1 1    7  -17   23 o  176.649   12.163  408.483   53.329  417.490   62.573  384.574  101.950  177.080   14.271  158.522   26.703 18.55862 30.27762 
1 1 1    7  -17   24 o   43.750   16.055   22.574   22.980   21.018   24.757   32.266   61.775   43.654   16.534   59.150   24.807 -15.49619 29.81241 
1 1 1    7  -17   25 o  116.593   13.350  183.607   38.168  175.528   43.547  210.383   79.280  112.201   15.995  111.139   28.446 1.061760 32.63481 
1 1 1    7  -17   26 o   61.060   22.852   54.101   46.982   13.430   63.983  101.690   69.211   53.971   23.917   76.548   27.896 -22.57636 36.74566 
1 1 1    7  -17   27 o   61.005   23.324   55.819   49.554   83.449   71.151   29.793   69.055   69.861   27.595   57.410   25.166 12.45141 37.34750 
1 1 1    7  -17   28 o   70.716   24.747   88.151   53.899  102.672   74.564   72.260   78.003   72.768   28.398   65.570   27.707 7.198456 39.67492 
1 1 1    7  -16    0 o  527.611   16.494  3505.74  217.313  3664.11  307.470  3347.66  307.185  537.262   22.917  513.143   23.972 24.11945 33.16449 
1 1 1    7  -16    1 o  123.640   8.9697  192.400   27.506  191.705   38.541  193.121   39.267  122.917   12.741  123.345   12.941 -0.4281464 18.16084 
1 1 1    7  -16    2 o  576.081   18.386  4196.69  264.502  4224.52  373.902  4168.81  374.222  574.335   26.070  570.425   26.271 3.909973 37.01111 
1 1 1    7  -16    3 o  366.217   12.708  1685.85  116.212  1717.81  164.051  1653.66  164.647  368.479   17.829  360.956   18.326 7.523163 25.56784 
1 1 1    7  -16    4 o  119.031   12.808  180.260   37.471  228.213   50.686  122.465   55.644  133.592   15.480   95.962   23.425 37.63007 28.07813 
1 1 1    7  -16    5 o   85.155   10.337   92.351   21.531  112.007   28.433   65.929   32.965   93.534   12.485   70.755   18.462 22.77852 22.28714 
1 1 1    7  -16    6 o  244.199   10.243  748.981   62.464  777.699   87.332  718.901   89.378  247.780   14.173  237.961   15.119 9.819763 20.72374 
1 1 1    7  -16    7 o  386.278   13.238  1883.17  127.696  1873.09  179.714  1893.44  181.476  383.175   18.782  385.214   18.865 -2.039429 26.62060 
1 1 1    7  -16    8 o  222.804   9.7217  623.722   54.090  600.385   74.502  649.736   78.657  217.490   13.789  226.232   13.992 -8.741699 19.64440 
1 1 1    7  -16    9 o   44.800   12.890   25.923   15.195   23.186   17.646   33.777   29.892   43.516   14.162   53.638   18.448 -10.12226 23.25719 
1 1 1    7  -16   10 o  162.566   13.001  336.190   52.337  264.396   71.822  417.477   76.424  141.856   20.901  180.108   17.201 -38.25179 27.06917 
1 1 1    7  -16   11 o  233.343   9.9777  685.157   58.140  676.888   79.391  694.721   85.382  230.710   13.844  233.466   14.720 -2.755478 20.20764 
1 1 1    7  -16   12 o  377.581   13.396  1806.30  126.314  1784.50  176.446  1829.22  180.908  372.102   19.053  376.593   19.302 -4.490936 27.12130 
1 1 1    7  -16   13 o  151.288   9.7381  289.252   36.595  286.984   47.237  292.656   57.872  150.057   12.726  150.787   15.595 -0.7299805 20.12818 
1 1 1    7  -16   14 f  268.928   10.773  912.304   72.349  829.096   98.159  1011.27  107.051  254.540   15.517  281.297   15.297 -26.75694 21.78929 
1 1 1    7  -16   15 o  138.566   15.139  247.539   51.532  268.030   59.315  184.466  104.064  143.732   16.845  114.107   33.984 29.62525 37.92958 
1 1 1    7  -16   16 o  118.779   10.392  179.334   30.514  142.979   36.324  266.511   56.248  105.082   14.207  143.500   15.967 -38.41774 21.37251 
1 1 1    7  -16   17 o  329.043   12.301  1373.17  101.077  1427.53  136.986  1308.20  149.754  333.459   16.451  317.276   18.989 16.18228 25.12341 
1 1 1    7  -16   18 o  215.823   17.238  604.471   92.128   0.0000   0.0000  604.471   92.128  ?   ?   215.823   17.238 0.000000 17.23784 
1 1 1    7  -16   19 o  177.980   13.267  406.312   58.543  406.312   58.543   0.0000   0.0000  177.980   13.267  ?   ?  0.000000 13.26743 
1 1 1    7  -16   20 o  116.410   17.424  179.875   49.094  209.807   66.724  144.546   72.492  123.706   22.425  100.389   27.908 23.31760 35.80178 
1 1 1    7  -16   21 o   97.284   13.335  123.752   31.542  121.662   35.416  131.769   69.364   95.778   15.324   95.240   27.579 0.5381012 31.55064 
1 1 1    7  -16   22 o  159.374   11.511  327.123   45.506  329.701   52.974  319.862   88.891  159.126   13.457  149.943   24.593 9.183319 28.03425 
1 1 1    7  -16   23 o  114.074   12.684  170.532   35.521  176.199   40.385  151.165   74.659  115.241   14.344   98.869   28.608 16.37191 32.00207 
1 1 1    7  -16   24 o  120.896   18.858  204.176   55.074  204.176   55.074   0.0000   0.0000  120.896   18.858  ?   ?  0.000000 18.85810 
1 1 1    7  -16   25 f   50.823   16.735   34.759   24.613   38.686   26.873   14.317   61.317   53.280   17.484   55.176   23.958 -1.895962 29.65963 
1 1 1    7  -16   26 o   65.328   17.116   61.368   28.259   78.202   31.111 -18.0240   67.562   73.807   17.198   50.477   23.238 23.32977 28.90966 
1 1 1    7  -16   27 o   76.691   23.533   94.265   49.377   94.018   70.430   94.503   69.244   74.718   27.976   74.894   27.799 -0.1757278 39.43945 
1 1 1    7  -16   28 o  107.518   22.289  182.036   57.879  287.010   81.475   75.086   82.238  131.365   25.757   68.768   28.715 62.59733 38.57441 
1 1 1    7  -16   29 o  112.362   21.758  201.146   58.843  261.940   81.636  135.405   84.892  120.502   27.708   80.518   30.589 39.98405 41.27249 
1 1 1    7  -16   30 o   67.557   23.718   81.005   49.531  129.062   73.461   40.948   67.069   78.305   28.709   56.854   24.865 21.45096 37.97999 
1 1 1    7  -15    0 o  1185.54   36.583 18150.87  1083.05 18227.11  1531.76 18074.65  1531.56  1167.64   52.533  1162.41   52.762 5.229858 74.45527 
1 1 1    7  -15    1 o  306.583   10.454  1177.16   80.037  1338.13  113.276  1016.69  113.104  326.494   13.894  283.899   16.019 42.59497 21.20483 
1 1 1    7  -15    2 o  282.080   10.683  996.951   75.255  1029.68  106.233  963.984  106.621  285.818   14.936  276.421   15.509 9.396637 21.53139 
1 1 1    7  -15    3 o  305.171   11.217  1167.72   85.482  1159.94  120.509  1175.60  121.275  303.087   15.979  305.134   15.971 -2.046417 22.59204 
1 1 1    7  -15    4 o  279.089   10.739  976.709   74.847  974.995  105.391  978.454  106.315  277.834   15.249  278.305   15.357 -0.4710999 21.64163 
1 1 1    7  -15    5 o  231.920   9.9046  674.317   57.362  686.223   80.262  661.885   82.011  233.105   13.850  228.810   14.427 4.295166 19.99926 
1 1 1    7  -15    6 f  506.129   23.506  3280.69  297.097  3220.76  418.868  3341.36  421.462  493.654   34.189  503.208   33.735 -9.553772 48.03062 
1 1 1    7  -15    7 o  522.928   16.169  3460.61  211.137  3220.69  297.675  3703.51  299.520  500.576   23.813  537.731   22.305 -37.15442 32.62835 
1 1 1    7  -15    8 o  426.656   13.745  2297.52  146.441  2126.67  206.016  2472.00  208.197  407.946   20.223  440.449   18.929 -32.50272 27.69989 
1 1 1    7  -15    9 o  227.707   10.206  651.630   58.033  661.206   80.088  641.044   84.210  228.279   14.119  224.499   15.109 3.779785 20.67874 
1 1 1    7  -15   10 o  109.264   9.3716  151.030   25.323  160.917   32.385  135.473   40.623  112.414   11.708  102.001   16.513 10.41306 20.24254 
1 1 1    7  -15   11 o  253.126   10.253  806.029   64.806  758.624   89.302  858.770   94.194  244.183   14.714  259.898   14.572 -15.71516 20.70858 
1 1 1    7  -15   12 o  369.272   18.763  1751.96  172.455  1770.55  243.154  1733.14  244.630  365.960   26.793  361.686   27.286 4.273285 38.24127 
1 1 1    7  -15   13 o  290.289   10.918  1062.08   79.146  980.340  108.975  1153.33  115.138  277.053   15.817  300.752   15.382 -23.69867 22.06305 
1 1 1    7  -15   14 o  197.229   9.7983  489.541   48.258  458.638   63.957  530.396   73.537  189.753   13.587  203.844   14.542 -14.09125 19.90160 
1 1 1    7  -15   15 o  401.456   13.991  2046.05  140.258  2047.24  195.605  2044.78  201.225  398.384   19.662  397.231   20.354 1.153564 28.29982 
1 1 1    7  -15   16 o  267.516   11.166  903.526   74.594  889.891  100.646  920.144  111.111  263.783   15.345  267.662   16.707 -3.879364 22.68485 
1 1 1    7  -15   17 o  352.470   15.149  1584.78  133.343  1536.03  158.101  1704.91  248.180  344.817   18.428  355.571   28.181 -10.75458 33.67145 
1 1 1    7  -15   18 o  203.307   10.484  523.113   53.044  466.648   67.382  615.132   86.017  190.895   14.237  218.688   15.859 -27.79276 21.31217 
1 1 1    7  -15   19 o  263.695   11.211  880.006   73.824  830.361   95.006  955.665  117.284  254.387   15.022  271.760   17.373 -17.37251 22.96733 
1 1 1    7  -15   20 o   99.648   12.725  128.301   30.942  125.633   35.506  136.721   63.086   97.967   14.990   99.050   25.388 -1.082787 29.48284 
1 1 1    7  -15   21 o  160.724   15.652  336.147   62.024  391.942   85.324  273.627   90.319  171.403   20.331  139.501   26.902 31.90184 33.72020 
1 1 1    7  -15   22 o  254.179   12.996  830.629   82.213  893.003   99.100  692.941  147.237  262.198   15.201  221.696   27.164 40.50272 31.12770 
1 1 1    7  -15   23 o  117.505   12.821  179.719   37.011  204.796   42.330   98.327   76.262  125.141   13.774   83.570   29.423 41.57159 32.48775 
1 1 1    7  -15   24 o   98.857   13.613  129.237   32.715  139.531   37.084   93.105   69.476  102.211   14.973   80.315   28.096 21.89621 31.83691 
1 1 1    7  -15   25 o  107.841   19.065  162.961   49.465  162.961   49.465   0.0000   0.0000  107.841   19.065  ?   ?  0.000000 19.06549 
1 1 1    7  -15   26 o   44.193   16.523   21.978   24.548   37.426   26.731 -61.1786   62.019   52.683   17.445   42.947   20.528 9.736164 26.93900 
1 1 1    7  -15   27 o   67.932   16.982   66.011   28.730   56.308   32.042  105.798   64.885   62.346   18.923   80.370   27.187 -18.02478 33.12405 
1 1 1    7  -15   28 o  144.225   12.390  277.842   44.190  280.929   52.212  270.045   82.971  143.066   14.830  128.196   26.782 14.86932 30.61331 
1 1 1    7  -15   29 o   97.661   21.143  147.102   50.069  141.997   72.001  151.881   69.673   88.180   28.603   92.186   27.887 -4.006271 39.94754 
1 1 1    7  -15   30 o   41.382   18.777  -6.7393   42.063   26.520   62.961 -33.5503   56.529   54.962   24.063   42.504   20.109 12.45766 31.35931 
1 1 1    7  -15   31 f   99.819   22.679  166.919   55.247  231.771   81.682  112.235   75.006  107.833   29.486   73.945   28.586 33.88789 41.06794 
1 1 1    7  -14    0 o  328.619   11.762  1352.25   96.521  1313.61  136.653  1390.72  136.350  322.943   17.005  332.807   16.406 -9.864227 23.62917 
1 1 1    7  -14    1 o  241.445   14.391  733.843   86.374  663.547  121.686  805.224  122.621  228.342   21.597  252.111   19.632 -23.76860 29.18622 
1 1 1    7  -14    2 o  503.290   16.363  3183.59  205.650  3135.92  290.688  3231.35  290.979  497.809   23.384  505.420   23.055 -7.611969 32.83773 
1 1 1    7  -14    3 o  365.743   12.560  1677.36  114.715  1699.33  162.054  1655.30  162.409  367.366   17.665  362.527   17.940 4.838959 25.17706 
1 1 1    7  -14    4 o  522.408   16.800  3436.42  219.169  3414.57  309.702  3458.33  310.203  518.511   23.919  521.866   23.803 -3.354797 33.74451 
1 1 1    7  -14    5 o  225.837   9.7287  638.833   54.866  616.393   76.791  662.233   78.418  221.030   13.985  229.169   13.767 -8.138657 19.62376 
1 1 1    7  -14    6 o  542.706   17.365  3719.11  235.333  3579.74  332.238  3859.45  333.387  529.202   25.141  549.919   24.277 -20.71674 34.94905 
1 1 1    7  -14    7 o  361.576   17.077  1652.55  154.191  1423.21  215.923  1891.20  220.260  331.851   26.271  384.236   23.062 -52.38486 34.95718 
1 1 1    7  -14    8 o  124.453   13.031  197.031   39.898  252.366   53.416  127.202   60.005  140.547   15.476   97.667   24.612 42.87994 29.07361 
1 1 1    7  -14    9 o  109.424   9.4767  151.328   25.640  147.327   33.795  156.754   39.357  107.406   12.856  110.489   14.624 -3.082703 19.47084 
1 1 1    7  -14   10 o  403.999   13.468  2059.75  135.875  1994.39  190.791  2127.02  193.551  395.321   19.327  408.411   18.978 -13.09067 27.08651 
1 1 1    7  -14   11 o   56.128   11.947   41.183   16.231   35.499   19.043   56.282   31.037   52.145   14.228   65.483   18.281 -13.33786 23.16581 
1 1 1    7  -14   12 o  333.044   11.693  1397.94   97.248  1334.90  135.582  1464.74  139.564  323.420   16.846  339.356   16.469 -15.93674 23.55851 
1 1 1    7  -14   13 o  203.026   13.700  523.957   69.051  508.152   96.105  540.824   99.279  198.071   19.691  204.394   19.694 -6.323685 27.84986 
1 1 1    7  -14   14 o  231.407   10.207  673.933   58.981  620.304   79.790  738.538   87.576  220.653   14.563  240.823   14.632 -20.17061 20.64363 
1 1 1    7  -14   15 o  564.468   18.122  4082.58  255.450  3962.21  359.294  4205.62  363.260  548.464   26.233  565.634   25.718 -17.16907 36.73663 
1 1 1    7  -14   16 o  108.790   10.199  150.322   27.385  128.814   33.238  195.780   48.322   99.916   13.681  122.920   16.132 -23.00453 21.15186 
1 1 1    7  -14   17 o  559.032   27.635  4160.07  385.785   0.0000   0.0000  4160.07  385.785  ?   ?   559.032   27.635 0.000000 27.63487 
1 1 1    7  -14   18 o  175.888   17.868  401.196   77.390  401.196   77.390   0.0000   0.0000  175.888   17.868  ?   ?  0.000000 17.86768 
1 1 1    7  -14   19 o  126.838   11.373  204.954   35.640  204.566   42.731  205.841   64.604  126.134   13.791  124.047   21.643 2.087784 25.66323 
1 1 1    7  -14   20 o  195.287   10.672  483.202   51.849  442.329   64.935  555.103   86.125  185.804   14.100  207.213   16.788 -21.40919 21.92406 
1 1 1    7  -14   21 o  126.909   11.456  205.714   35.914  197.912   42.432  225.420   67.436  123.784   13.972  129.458   21.623 -5.673134 25.74391 
1 1 1    7  -14   22 o  215.603   12.501  594.182   67.016  670.853   80.391  419.528  121.333  228.397   14.165  172.240   29.256 56.15666 32.50466 
1 1 1    7  -14   23 o   56.450   20.898   35.317   39.082   32.950   52.157   38.347   59.017   59.968   23.646   63.734   25.146 -3.766579 34.51728 
1 1 1    7  -14   24 o  285.759   13.501  1053.96   96.341  1098.34  116.565  958.315  171.139  289.260   16.203  259.500   26.795 29.75906 31.31304 
1 1 1    7  -14   25 o  124.836   12.347  202.882   37.985  220.448   43.777  149.360   76.416  129.561   13.740   98.713   29.052 30.84805 32.13722 
1 1 1    7  -14   26 o  157.103   11.930  321.396   46.455  374.558   55.539  197.559   84.766  168.853   13.279  111.143   29.891 57.71002 32.70774 
1 1 1    7  -14   27 o   70.618   16.541   69.925   28.658   82.959   32.350   22.402   61.771   76.709   17.301   57.494   24.490 19.21466 29.98452 
1 1 1    7  -14   28 f  125.024   12.975  208.727   39.918  241.198   47.126  126.271   75.098  133.539   14.358   86.279   29.248 47.25995 32.58191 
1 1 1    7  -14   29 o   88.384   15.067  108.552   32.062  119.070   37.267   78.589   62.901   91.501   16.934   70.865   26.457 20.63537 31.41248 
1 1 1    7  -14   30 o  153.244   17.209  334.857   64.718  355.013   94.358  316.952   88.935  145.928   26.884  137.806   26.809 8.121704 37.96634 
1 1 1    7  -14   31 o   75.314   23.271   94.532   48.188   66.114   70.257  119.777   66.219   65.086   26.802   80.601   27.464 -15.51420 38.37428 
1 1 1    7  -14   32 o   45.978   20.293   10.193   45.610   62.301   68.023 -32.3698   61.478   62.245   26.064   43.765   20.782 18.47962 33.33523 
1 1 1    7  -13    0 o  432.337   14.325  2342.31  154.658  2443.83  219.022  2241.34  218.418  440.866   19.894  422.081   20.722 18.78522 28.72637 
1 1 1    7  -13    1 o  1049.10   31.947 14005.71  836.954 14170.11  1183.86 13841.44  1183.40  1045.31   45.353  1032.66   45.891 12.65222 64.52023 
1 1 1    7  -13    2 o  411.239   13.908  2119.84  142.827  2079.98  201.910  2159.75  202.067  406.529   19.889  414.310   19.531 -7.781006 27.87526 
1 1 1    7  -13    3 o  265.134   15.041  884.887   99.172  923.338  140.099  846.270  140.401  269.844   20.955  258.060   21.997 11.78345 30.38079 
1 1 1    7  -13    4 o  139.622   8.6237  244.774   29.920  266.808   41.934  221.925   42.704  145.478   11.641  132.405   13.087 13.07355 17.51473 
1 1 1    7  -13    5 o  152.709   8.7974  292.750   33.406  298.971   46.465  286.092   48.063  153.955   12.186  150.484   12.915 3.470779 17.75636 
1 1 1    7  -13    6 o  310.102   11.253  1205.32   87.144  1158.07  122.631  1253.52  123.860  302.903   16.272  315.667   15.713 -12.76373 22.61998 
1 1 1    7  -13    7 o  150.718   8.8770  285.377   33.263  289.686   45.773  280.555   48.420  151.448   12.207  148.886   13.159 2.562042 17.94877 
1 1 1    7  -13    8 o  246.997   10.142  764.779   62.553  773.247   87.489  755.922   89.472  247.487   14.216  244.594   14.717 2.893463 20.46173 
1 1 1    7  -13    9 o  422.539   19.975  2268.57  210.770  2159.47  296.277  2380.36  299.903  407.266   29.328  428.331   28.196 -21.06522 40.68362 
1 1 1    7  -13   10 o  572.563   18.082  4160.18  258.529  3964.11  364.553  4358.54  366.686  553.919   26.355  581.628   25.246 -27.70892 36.49612 
1 1 1    7  -13   11 o  257.791   10.192  834.587   65.613  784.762   90.909  888.765   94.796  248.785   14.698  264.892   14.385 -16.10748 20.56588 
1 1 1    7  -13   12 o  179.880   9.3466  407.254   41.840  402.059   56.601  413.513   62.125  178.103   12.812  180.400   13.897 -2.297241 18.90197 
1 1 1    7  -13   13 o  187.320   9.2699  440.610   43.362  443.434   58.509  437.169   64.587  187.062   12.599  185.397   14.055 1.665176 18.87507 
1 1 1    7  -13   14 o  175.489   9.6770  388.202   42.243  390.795   56.397  384.887   63.760  175.419   12.966  173.628   14.848 1.791473 19.71293 
1 1 1    7  -13   15 o  442.862   21.406  2531.81  236.731  2475.39  334.145  2588.68  335.435  428.980   31.411  439.358   30.767 -10.37750 43.96877 
1 1 1    7  -13   16 o  322.987   11.509  1315.90   92.829  1166.10  127.819  1483.09  135.038  301.784   17.030  341.345   15.842 -39.56158 23.25952 
1 1 1    7  -13   17 o  211.833   10.337  565.104   54.680  587.616   72.660  535.706   83.032  214.931   13.608  204.316   16.412 10.61501 21.32002 
1 1 1    7  -13   18 o  388.139   13.321  1909.04  129.116  1747.55  178.126  2087.82  187.423  367.850   19.461  403.097   18.619 -35.24744 26.93306 
1 1 1    7  -13   19 o  252.098   12.976  807.343   81.412  766.977   93.139  938.045  167.596  244.877   15.308  265.514   25.594 -20.63722 29.82258 
1 1 1    7  -13   20 o  200.853   12.115  512.411   60.479  440.200   65.767  908.033  153.939  185.473   14.310  261.906   23.797 -76.43364 27.76818 
1 1 1    7  -13   21 o  140.232   10.723  249.777   37.265  240.758   44.605  270.620   67.809  137.065   13.195  143.365   19.442 -6.300476 23.49669 
1 1 1    7  -13   22 o  168.787   12.010  363.151   50.289  420.922   59.690  221.842   93.354  181.380   13.270  124.832   30.262 56.54809 33.04346 
1 1 1    7  -13   23 o   87.671   13.897  100.544   29.411  116.876   33.211   41.190   63.314   94.481   14.543   66.412   26.095 28.06928 29.87391 
1 1 1    7  -13   24 o  120.614   16.780  192.423   49.170  226.434   66.617  151.716   72.879  128.913   21.447  102.588   27.769 26.32540 35.08713 
1 1 1    7  -13   25 o  186.591   12.236  448.143   56.698  494.257   68.333  346.235  101.582  195.040   14.126  155.070   27.226 39.96947 30.67189 
1 1 1    7  -13   26 o  142.480   11.957  262.918   42.150  317.072   50.306  135.321   77.218  156.047   13.029   94.263   29.513 61.78387 32.26116 
1 1 1    7  -13   27 o   90.726   13.577  109.651   29.814  118.256   34.483   84.168   59.339   93.543   15.290   76.071   25.998 17.47161 30.16080 
1 1 1    7  -13   28 o   88.314   19.901  112.469   42.837  112.469   42.837   0.0000   0.0000   88.314   19.901  ?   ?  0.000000 19.90101 
1 1 1    7  -13   29 o  145.485   12.578  280.590   45.247  322.187   54.235  185.345   82.067  154.767   14.191  104.098   29.956 50.66889 33.14765 
1 1 1    7  -13   30 o  109.677   13.572  162.863   36.379  180.613   42.725  116.074   69.370  114.388   15.344   82.652   28.110 31.73572 32.02512 
1 1 1    7  -13   31 o   64.545   17.953   61.462   29.991   70.925   34.313   30.839   61.727   68.685   19.239   57.162   24.418 11.52258 31.08663 
1 1 1    7  -13   32 o   61.152   22.692   57.142   46.130   96.287   69.475   26.277   61.691   73.256   27.710   55.056   23.969 18.19988 36.63812 
1 1 1    7  -13   33 o   76.470   23.805  102.057   50.319  144.519   77.249   70.761   66.318   83.407   29.587   64.493   26.238 18.91423 39.54467 
1 1 1    7  -12    0 f  293.055   11.124  1074.40   81.406  1101.55  115.401  1047.52  114.853  296.041   15.666  288.627   15.998 7.414185 22.39078 
1 1 1    7  -12    1 o  178.829   8.9263  399.820   39.862  401.124   56.649  398.542   56.102  178.543   12.790  177.974   12.707 0.5689545 18.02934 
1 1 1    7  -12    2 o  291.704   10.720  1064.56   78.087  1053.11  110.440  1076.01  110.423  289.430   15.335  292.590   15.165 -3.160065 21.56710 
1 1 1    7  -12    3 o  233.441   9.6763  681.593   56.408  676.062   79.768  687.126   79.777  231.874   13.839  233.784   13.725 -1.909882 19.49117 
1 1 1    7  -12    4 o  276.995   10.626  960.166   73.504  949.158  103.803  971.236  104.098  274.665   15.193  277.869   15.058 -3.203766 21.39122 
1 1 1    7  -12    5 o  241.127   14.368  731.839   86.125  818.856  121.654  644.408  121.944  254.329   19.299  224.939   21.990 29.38974 29.25796 
1 1 1    7  -12    6 o  158.105   8.4441  313.553   33.218  252.843   46.007  379.671   48.012  141.393   13.182  173.760   11.123 -32.36653 17.24800 
1 1 1    7  -12    7 o  106.424   8.8693  142.703   23.356  127.381   31.753  160.767   34.477   99.936   13.034  112.546   12.477 -12.60983 18.04333 
1 1 1    7  -12    8 o   74.485   10.062   70.745   18.236   67.128   23.791   75.897   28.395   71.926   13.747   76.330   15.427 -4.403786 20.66352 
1 1 1    7  -12    9 o  268.691   10.374  904.911   69.605  883.141   97.424  927.610   99.482  264.505   14.809  271.114   14.750 -6.608307 20.90111 
1 1 1    7  -12   10 o  681.497   21.318  5907.65  362.793  5788.38  512.383  6027.57  513.755  668.000   30.716  682.120   30.161 -14.11981 43.04841 
1 1 1    7  -12   11 o  183.263   13.772  425.406   62.564  488.089   84.557  349.576   93.002  195.563   17.500  163.703   23.417 31.86011 29.23376 
1 1 1    7  -12   12 o  170.739   8.6313  366.349   36.681  324.460   49.111  419.205   55.167  160.085   12.381  182.115   12.201 -22.03061 17.38280 
1 1 1    7  -12   13 o  171.514   9.2380  370.201   39.421  366.874   53.108  374.284   58.828  170.170   12.587  171.633   13.843 -1.463013 18.71028 
1 1 1    7  -12   14 o  171.501   8.6864  369.947   37.080  341.795   49.169  407.066   56.461  164.258   12.072  179.203   12.699 -14.94518 17.52127 
1 1 1    7  -12   15 o  354.199   12.264  1582.47  108.478  1510.04  151.324  1659.04  155.586  343.699   17.691  360.878   17.265 -17.17886 24.71939 
1 1 1    7  -12   16 f  298.106   16.551  1134.67  122.722   0.0000   0.0000  1134.67  122.722  ?   ?   298.106   16.551 0.000000 16.55051 
1 1 1    7  -12   17 o  148.019   12.630  278.781   46.238  278.781   46.238   0.0000   0.0000  148.019   12.630  ?   ?  0.000000 12.63002 
1 1 1    7  -12   18 o  113.282   10.075  162.746   28.202  136.593   34.348  216.852   49.404  102.977   13.697  129.688   15.566 -26.71107 20.73425 
1 1 1    7  -12   19 o  174.657   10.443  385.605   45.338  401.619   57.831  360.068   73.030  177.638   13.130  166.802   17.808 10.83658 22.12517 
1 1 1    7  -12   20 f  338.091   12.277  1445.66  103.650  1385.93  140.831  1516.24  153.104  328.596   17.223  343.352   17.919 -14.75620 24.85344 
1 1 1    7  -12   21 o  184.696   15.458  438.021   70.642  422.607   80.563  489.297  146.940  180.473   18.121  187.111   32.635 -6.638184 37.32803 
1 1 1    7  -12   22 o  184.197   11.311  430.483   51.777  469.922   64.483  358.908   86.869  191.833   13.548  164.595   21.661 27.23744 25.54879 
1 1 1    7  -12   23 f  150.771   11.387  289.375   42.555  312.703   50.733  234.005   78.161  156.285   13.121  130.804   24.837 25.48094 28.08965 
1 1 1    7  -12   24 o  202.639   12.012  523.584   60.512  606.019   73.185  345.440  107.585  217.461   13.544  156.839   28.520 60.62245 31.57266 
1 1 1    7  -12   25 o  135.327   11.915  235.099   39.855  261.985   47.386  170.096   73.680  142.380   13.488  108.979   27.169 33.40096 30.33307 
1 1 1    7  -12   26 o   71.234   20.191   69.898   37.563  141.768   53.675   0.9178   52.585  100.725   21.959   51.222   22.214 49.50256 31.23581 
1 1 1    7  -12   27 o  255.577   12.964  846.399   82.466  933.526  100.451  666.283  144.428  266.690   15.146  213.397   27.760 53.29292 31.62293 
1 1 1    7  -12   28 f  120.856   12.340  191.113   36.720  226.347   43.471  103.366   68.603  131.069   13.474   82.850   27.955 48.21867 31.03281 
1 1 1    7  -12   29 o  259.350   13.484  887.373   87.024  983.056  105.899  688.369  152.723  270.399   15.751  207.487   30.375 62.91263 34.21634 
1 1 1    7  -12   30 o   56.859   17.582   45.332   27.501   61.584   31.354  -8.8636   57.255   65.420   18.414   48.943   22.085 16.47731 28.75438 
1 1 1    7  -12   31 o   30.593   13.838  -9.0493   22.633 -17.5253   25.247   25.649   51.082   30.206   14.011   54.068   22.609 -23.86254 26.59811 
1 1 1    7  -12   32 o   88.776   15.904  111.404   33.963  126.196   39.969   72.974   64.424   93.304   17.804   68.530   26.493 24.77428 31.91917 
1 1 1    7  -12   33 o   43.949   19.467   2.7330   42.337   87.860   65.564 -58.1465   55.446   71.266   26.928   39.079   18.866 32.18647 32.87923 
1 1 1    7  -12   34 o   56.711   22.468   46.790   47.300   58.725   71.564   37.532   63.030   62.165   26.417   56.562   24.425 5.603142 35.97836 
1 1 1    7  -11    0 o  371.144   12.905  1724.11  119.609  1665.57  169.173  1782.62  169.134  363.832   18.683  376.959   17.967 -13.12625 25.92066 
1 1 1    7  -11    1 o  324.809   11.665  1319.97   94.619  1370.57  134.039  1269.72  133.584  330.660   16.233  317.767   16.895 12.89322 23.42973 
1 1 1    7  -11    2 o  579.002   18.366  4207.76  265.544  4135.62  375.505  4279.94  375.566  572.458   26.268  582.465   25.821 -10.00720 36.83333 
1 1 1    7  -11    3 o  798.680   23.324  8035.04  465.177  7929.76  657.671  8140.45  658.049  789.825   33.345  800.428   32.922 -10.60291 46.85855 
1 1 1    7  -11    4 o  413.345   13.795  2140.26  142.393  2071.01  201.245  2209.70  201.502  405.893   19.855  419.349   19.242 -13.45636 27.64900 
1 1 1    7  -11    5 o  679.812   20.991  5817.48  356.346  5890.90  503.923  5744.04  503.976  681.356   29.617  672.669   30.003 8.687988 42.15816 
1 1 1    7  -11    6 o  227.831   9.6994  649.354   55.184  610.909   77.625  688.636   78.465  220.293   14.186  234.028   13.483 -13.73508 19.57162 
1 1 1    7  -11    7 o  263.029   14.904  870.962   97.495  861.450  137.182  880.670  138.586  260.479   21.276  263.393   21.251 -2.913574 30.07080 
1 1 1    7  -11    8 o  213.867   9.3506  572.390   49.939  605.179   69.915  538.237   71.355  219.319   12.821  206.645   13.909 12.67392 18.91658 
1 1 1    7  -11    9 o  316.276   11.628  1253.96   91.837  1285.72  129.283  1221.61  130.479  319.245   16.271  311.043   16.861 8.201172 23.43172 
1 1 1    7  -11   10 o  126.332   8.5136  200.660   26.702  170.759   35.871  237.820   39.988  115.964   12.589  137.191   11.787 -21.22702 17.24573 
1 1 1    7  -11   11 f  334.427   11.779  1403.97   98.372  1307.10  137.971  1504.12  140.296  321.252   17.262  345.313   16.270 -24.06085 23.72081 
1 1 1    7  -11   12 o  209.391   9.1223  549.473   47.700  517.367   65.298  586.208   69.846  202.391   12.988  215.476   13.042 -13.08562 18.40638 
1 1 1    7  -11   13 o   84.776   13.216   92.628   27.066   79.456   31.699  128.070   51.997   77.761   16.814   98.260   21.765 -20.49984 27.50276 
1 1 1    7  -11   14 o  132.454   8.6791  220.918   28.548  202.538   37.276  246.993   44.398  126.300   11.961  139.413   12.899 -13.11285 17.59147 
1 1 1    7  -11   15 o  305.708   11.344  1176.20   86.599  1161.23  120.429  1192.22  124.619  302.170   16.017  306.065   16.364 -3.894409 22.89832 
1 1 1    7  -11   16 o  328.978   11.824  1363.79   97.140  1333.91  134.996  1395.89  139.888  323.451   16.771  330.809   16.991 -7.357910 23.87384 
1 1 1    7  -11   17 o   96.910   9.9789  119.299   23.804  125.528   29.024  106.501   41.604   99.074   11.974   89.591   19.175 9.483192 22.60663 
1 1 1    7  -11   18 o  161.412   13.239  331.601   52.892  345.148   73.668  317.188   75.986  163.299   18.385  155.968   19.968 7.330704 27.14281 
1 1 1    7  -11   19 o  144.019   10.083  262.231   36.032  266.722   45.340  254.535   59.362  144.740   12.672  140.196   17.324 4.544052 21.46432 
1 1 1    7  -11   20 o  269.275   10.836  913.790   72.862  828.226   97.244  1023.31  110.018  254.738   15.359  283.143   15.620 -28.40550 21.90630 
1 1 1    7  -11   21 o   91.733   11.990  108.063   26.809  128.425   32.168   61.767   48.505   99.860   13.225   70.294   23.507 29.56656 26.97234 
1 1 1    7  -11   22 o  204.774   10.761  530.354   54.835  510.857   70.066  561.171   88.088  200.041   14.117  208.684   17.053 -8.642868 22.13748 
1 1 1    7  -11   23 o  156.490   14.320  314.186   55.341  314.186   55.341   0.0000   0.0000  156.490   14.320  ?   ?  0.000000 14.32041 
1 1 1    7  -11   24 o  127.699   11.954  208.403   37.677  243.169   44.737  123.583   69.876  137.703   13.170   94.511   27.771 43.19238 30.73603 
1 1 1    7  -11   25 o  306.008   14.238  1197.95  108.800  1320.50  132.805  947.834  189.731  319.448   16.706  260.817   29.658 58.63110 34.03967 
1 1 1    7  -11   26 o  107.049   12.448  148.100   32.654  170.463   38.442   90.151   61.881  114.553   13.711   81.258   26.525 33.29546 29.85887 
1 1 1    7  -11   27 o   60.267   20.304   46.684   36.187  119.415   52.993 -16.8643   49.534   91.943   23.108   45.879   20.637 46.06412 30.98135 
1 1 1    7  -11   28 o  114.676   12.238  171.033   34.506  179.901   40.670  148.246   65.192  116.848   14.232  100.365   25.853 16.48215 29.51145 
1 1 1    7  -11   29 o  111.383   12.604  162.829   34.440  212.283   40.813   40.527   64.182  127.136   13.040   63.787   25.863 63.34905 28.96399 
1 1 1    7  -11   30 o   73.581   15.758   74.851   28.082   69.561   32.472   90.542   55.930   69.968   18.356   77.485   25.213 -7.516541 31.18727 
1 1 1    7  -11   31 o   66.972   20.702   65.499   38.132   65.499   38.132   0.0000   0.0000   66.972   20.702  ?   ?  0.000000 20.70232 
1 1 1    7  -11   32 o   84.105   15.861   98.996   32.091  142.809   37.751 -15.1508   60.934  101.714   15.340   48.745   22.302 52.96970 27.06822 
1 1 1    7  -11   33 o  117.856   13.691  189.127   39.543  238.398   47.160   72.468   72.566  131.755   14.578   69.061   27.675 62.69379 31.27976 
1 1 1    7  -11   34 f   84.612   17.139  104.660   34.971  130.871   41.197   37.061   66.159   94.034   18.202   58.540   25.150 35.49322 31.04595 
1 1 1    7  -11   35 f   67.450   23.714   77.621   49.524   92.299   76.583   67.071   64.927   70.060   28.305   63.851   25.967 6.208965 38.41167 
1 1 1    7  -10    0 o  265.048   11.978  878.919   79.282  823.725  136.668  906.914   97.334  255.108   21.658  268.716   14.559 -13.60805 26.09678 
1 1 1    7  -10    1 f  500.803   22.857  3154.84  285.851  3302.33  404.695  3008.00  403.815  509.622   31.962  485.858   33.487 23.76447 46.29222 
1 1 1    7  -10    2 o  347.007   12.409  1506.84  107.531  1493.78  152.181  1519.87  151.964  344.648   17.742  347.678   17.560 -3.029877 24.96271 
1 1 1    7  -10    3 o  663.918   20.522  5538.20  340.245  5376.38  481.058  5700.19  481.299  651.968   29.548  671.557   28.700 -19.58984 41.19154 
1 1 1    7  -10    4 o  309.161   11.313  1195.78   87.337  1207.26  123.564  1184.32  123.461  309.924   16.020  306.939   16.164 2.985321 22.75842 
1 1 1    7  -10    5 o  259.153   10.370  840.027   67.111  837.892   94.840  842.168   94.979  258.173   14.772  258.834   14.756 -0.6611938 20.87920 
1 1 1    7  -10    6 o  393.304   13.218  1937.32  129.817  1925.90  183.445  1948.77  183.732  391.539   18.762  393.867   18.680 -2.328278 26.47586 
1 1 1    7  -10    7 o  489.277   15.640  3002.98  191.091  2821.01  269.773  3186.23  270.717  472.979   22.841  502.935   21.555 -29.95651 31.40573 
1 1 1    7  -10    8 o  744.830   33.077  7088.87  615.231  7173.82  870.001  7003.90  870.136  739.157   47.383  729.846   48.010 9.311218 67.45504 
1 1 1    7  -10    9 o  195.770   13.310  482.788   64.684  517.105   90.650  447.190   92.327  201.900   18.174  187.300   20.051 14.60045 27.06223 
1 1 1    7  -10   10 o  209.521   9.4307  549.472   49.343  550.205   68.753  548.694   70.857  208.997   13.242  208.649   13.675 0.3482208 19.03548 
1 1 1    7  -10   11 o   93.557   8.8426  110.532   20.414  106.562   26.541  116.281   31.943   91.416   11.909   95.239   13.836 -3.822578 18.25531 
1 1 1    7  -10   12 o   60.094   11.526   46.822   16.667   50.132   20.482   40.333   28.674   61.960   13.610   56.922   18.007 5.037807 22.57196 
1 1 1    7  -10   13 o  230.442   9.3730  665.534   53.938  630.990   74.298  704.025   78.429  223.560   13.370  236.190   13.352 -12.63039 18.89515 
1 1 1    7  -10   14 o  222.443   12.622  624.568   69.822  503.237   93.609  776.719  104.826  198.119   19.160  247.094   17.094 -48.97493 25.67683 
1 1 1    7  -10   15 o  316.200   17.003  1271.65  133.762   0.0000   0.0000  1271.65  133.762  ?   ?   316.200   17.003 0.000000 17.00274 
1 1 1    7  -10   16 o  204.604   13.030  530.104   66.226  530.104   66.226   0.0000   0.0000  204.604   13.030  ?   ?  0.000000 13.02967 
1 1 1    7  -10   17 o   93.669   10.138  111.540   23.336  119.316   28.866   96.871   39.645   96.541   12.249   85.474   19.060 11.06704 22.65643 
1 1 1    7  -10   18 o  361.696   12.606  1651.15  113.856  1580.06  158.633  1726.67  163.512  351.379   18.141  367.923   17.797 -16.54349 25.41273 
1 1 1    7  -10   19 o   75.604   11.532   73.649   21.083   66.741   24.916   91.061   39.561   71.333   14.482   82.684   19.480 -11.35155 24.27351 
1 1 1    7  -10   20 o  175.164   13.485  390.480   58.532  440.507   82.713  340.297   82.841  184.752   18.163  161.217   21.082 23.53549 27.82704 
1 1 1    7  -10   21 o   74.741   11.859   72.188   21.394   78.106   25.032   56.145   41.211   77.486   13.423   66.670   21.641 10.81634 25.46527 
1 1 1    7  -10   22 o  259.671   11.138  850.435   72.221  878.771   96.078  813.625  109.506  262.596   14.711  251.567   17.541 11.02826 22.89328 
1 1 1    7  -10   23 o   78.749   12.309   80.246   23.414   89.949   27.171   52.257   46.146   83.197   13.544   66.013   22.909 17.18449 26.61319 
1 1 1    7  -10   24 o  275.075   22.156  993.490  150.904  993.490  150.904   0.0000   0.0000  275.075   22.156  ?   ?  0.000000 22.15622 
1 1 1    7  -10   25 o  173.184   12.117  381.965   52.072  485.552   63.016  158.967   92.459  195.081   13.010  106.104   32.131 88.97662 34.66535 
1 1 1    7  -10   26 o   95.459   12.729  117.896   29.587  118.819   34.378  115.259   58.102   95.233   14.948   91.192   24.841 4.040085 28.99147 
1 1 1    7  -10   27 o  143.546   11.755  263.993   41.766  328.323   50.134  118.072   75.506  159.872   12.661   91.449   29.252 68.42347 31.87471 
1 1 1    7  -10   28 o   80.394   14.514   85.904   28.066  107.610   32.822   26.869   54.129   89.995   15.143   58.583   23.751 31.41263 28.16788 
1 1 1    7  -10   29 f   53.506   19.907   32.227   35.547   26.649   51.007   37.495   49.567   56.881   23.058   59.740   23.198 -2.859219 32.70811 
1 1 1    7  -10   30 o  103.445   13.332  141.463   33.638  172.596   39.744   62.838   63.160  113.972   14.278   69.817   26.418 44.15517 30.02919 
1 1 1    7  -10   31 o   79.555   15.535   86.932   29.756  118.460   34.808   1.3581   57.346   93.209   15.499   51.697   22.789 41.51225 27.56017 
1 1 1    7  -10   32 o   92.049   20.963  124.767   47.109  124.767   47.109   0.0000   0.0000   92.049   20.963  ?   ?  0.000000 20.96344 
1 1 1    7  -10   33 o  129.109   13.273  223.544   42.186  265.620   50.400  125.088   77.097  139.816   14.653   85.276   29.610 54.54005 33.03759 
1 1 1    7  -10   34 o   74.916   17.448   81.585   32.033   91.806   37.345   53.125   62.315   78.495   19.208   63.113   25.521 15.38232 31.94154 
1 1 1    7  -10   35 o   48.225   18.218   29.444   30.006   53.573   34.684 -42.3416   59.825   59.667   19.877   42.938   20.422 16.72872 28.49811 
1 1 1    7   -9    0 o  144.696   8.4439  262.569   30.378  249.426   43.203  275.421   42.723  140.640   12.429  147.922   11.660 -7.282516 17.04272 
1 1 1    7   -9    1 o  548.664   17.473  3774.82  239.406  3727.93  338.585  3821.69  338.557  544.044   24.922  550.903   24.610 -6.858521 35.02486 
1 1 1    7   -9    2 o  950.059   28.945 11402.65  686.714 11240.60  971.031 11564.78  971.290  937.555   41.475  951.295   40.887 -13.73987 58.24000 
1 1 1    7   -9    3 o  662.038   29.218  5538.84  483.036  5147.74  682.670  5930.97  683.562  632.278   43.501  680.247   40.422 -47.96954 59.38270 
1 1 1    7   -9    4 o  664.146   19.850  5538.83  329.213  5891.77  466.144  5187.60  465.013  683.248   27.321  640.668   29.066 42.58008 39.89027 
1 1 1    7   -9    5 o  174.104   8.9834  379.939   38.924  378.437   55.119  381.432   54.974  173.412   12.819  174.110   12.732 -0.6980133 18.06785 
1 1 1    7   -9    6 o  265.015   10.389  878.402   68.753  900.086   97.221  856.709   97.241  267.652   14.601  261.060   14.979 6.591980 20.91787 
1 1 1    7   -9    7 o  235.278   9.7080  692.249   57.037  683.497   80.419  701.109   80.910  233.186   13.873  236.193   13.778 -3.006073 19.55201 
1 1 1    7   -9    8 o  114.467   8.5599  164.730   24.291  140.266   33.562  191.642   35.202  105.024   13.080  123.200   11.578 -18.17636 17.46840 
1 1 1    7   -9    9 o  185.045   8.9805  428.235   41.498  418.776   57.927  438.207   59.477  182.393   12.799  186.591   12.843 -4.197540 18.13172 
1 1 1    7   -9   10 o  382.225   18.720  1838.90  178.681  1972.18  252.552  1705.33  252.836  393.602   25.838  365.283   27.929 28.31955 38.04810 
1 1 1    7   -9   11 o  183.790   8.6508  422.597   39.704  406.387   54.706  440.638   57.713  179.639   12.269  187.069   12.425 -7.430618 17.46134 
1 1 1    7   -9   12 o  221.487   9.2366  614.115   51.087  597.393   71.021  632.044   73.541  217.774   13.121  224.010   13.205 -6.235855 18.61527 
1 1 1    7   -9   13 o  135.054   8.2812  229.145   27.794  208.645   36.668  256.828   42.611  128.453   11.555  142.548   12.084 -14.09563 16.71946 
1 1 1    7   -9   14 o   29.008   11.299   6.4214   11.788   2.4202   13.282   21.264   25.582   28.000   11.603   46.016   16.931 -18.01634 20.52529 
1 1 1    7   -9   15 o  166.035   8.7685  346.414   36.227  341.999   48.298  352.094   54.777  164.540   11.834  166.718   13.267 -2.178543 17.77780 
1 1 1    7   -9   16 o  115.693   15.444  172.121   43.504  256.566   54.294   20.658   72.714  141.603   15.614   66.098   27.248 75.50540 31.40442 
1 1 1    7   -9   17 o  153.342   8.9891  295.982   34.271  281.924   45.299  314.798   52.406  149.113   12.274  157.389   13.463 -8.276123 18.21881 
1 1 1    7   -9   18 o   57.141   12.199   42.695   16.878   55.890   20.132   11.485   30.961   65.472   12.772   44.558   17.999 20.91369 22.07001 
1 1 1    7   -9   19 o  351.071   12.405  1554.69  108.753  1490.14  151.090  1624.09  156.661  341.449   17.781  357.000   17.573 -15.55130 24.99957 
1 1 1    7   -9   20 o   59.729   12.303   46.636   17.740   42.146   20.597   59.541   34.917   56.616   14.504   67.425   19.580 -10.80846 24.36651 
1 1 1    7   -9   21 o  185.958   13.553  439.766   62.505  539.229   88.447  340.534   88.344  204.861   17.456  160.785   22.629 44.07622 28.57922 
1 1 1    7   -9   22 o   96.110   11.082  117.905   26.110  123.480   31.345  105.266   47.193   97.967   13.144   88.568   21.544 9.399506 25.23733 
1 1 1    7   -9   23 o  111.688   11.151  158.814   30.685  180.969   37.351  112.818   53.818  118.961   12.773   91.362   23.466 27.59934 26.71713 
1 1 1    7   -9   24 o  366.410   15.356  1709.93  140.508  1849.40  171.816  1428.34  244.134  379.596   18.126  324.557   30.479 55.03857 35.46151 
1 1 1    7   -9   25 o  258.148   13.108  847.267   84.224  911.538  102.326  712.253  148.308  266.879   15.420  230.466   26.237 36.41342 30.43293 
1 1 1    7   -9   26 o  142.231   17.665  264.235   61.391  264.235   61.391   0.0000   0.0000  142.231   17.665  ?   ?  0.000000 17.66489 
1 1 1    7   -9   27 o  269.064   13.265  922.852   89.127  1080.58  108.882  602.543  155.161  289.919   15.091  206.664   31.023 83.25546 34.49936 
1 1 1    7   -9   28 o   80.243   14.928   85.371   28.812  118.058   33.598  -5.4718   56.011   94.788   14.668   51.738   22.673 43.05015 27.00382 
1 1 1    7   -9   29 o   73.171   14.968   71.712   26.429   85.819   30.786   32.188   51.531   79.897   15.988   59.257   23.460 20.63944 28.38979 
1 1 1    7   -9   30 f  113.145   16.850  172.195   46.157  253.833   67.579  100.809   63.194  135.619   20.603   83.335   26.772 52.28432 33.78186 
1 1 1    7   -9   31 o  112.733   12.882  167.061   35.614  213.368   42.541   58.587   65.111  127.213   13.602   68.926   26.637 58.28691 29.90901 
1 1 1    7   -9   32 o  151.001   12.146  298.502   45.412  335.060   54.763  218.023   81.254  158.895   13.943  117.623   28.056 41.27132 31.32950 
1 1 1    7   -9   33 o   81.519   15.652   91.969   30.704  130.952   36.280  -6.4299   57.640   97.796   15.362   49.740   22.327 48.05589 27.10126 
1 1 1    7   -9   34 o  131.499   20.875  253.572   66.259  253.572   66.259   0.0000   0.0000  131.499   20.875  ?   ?  0.000000 20.87522 
1 1 1    7   -9   35 o   40.610   16.692   12.325   27.188   7.9525   31.425   25.338   54.213   41.134   17.493   54.331   23.036 -13.19722 28.92505 
1 1 1    7   -9   36 o   40.903   19.394 -38.1630   53.143   0.0000   0.0000 -38.1630   53.143  ?   ?    40.903   19.394 0.000000 19.39391 
1 1 1    7   -8    0 o  233.924   9.7263  684.184   56.816  693.844   80.555  674.621   80.148  235.005   13.787  231.702   13.916 3.302689 19.58950 
1 1 1    7   -8    1 o  292.620   10.998  1070.98   80.368  1062.98  113.750  1078.96  113.567  290.841   15.720  293.043   15.575 -2.201813 22.12944 
1 1 1    7   -8    2 o  621.308   18.954  4844.34  294.076  4959.42  416.164  4729.57  415.609  627.117   26.574  612.272   27.183 14.84436 38.01440 
1 1 1    7   -8    3 o  167.288   8.6906  350.736   36.180  363.262   51.411  338.446   50.924  169.957   12.194  163.983   12.531 5.973770 17.48496 
1 1 1    7   -8    4 o  512.238   16.523  3288.67  211.351  3218.63  298.863  3358.73  298.927  505.744   23.664  516.717   23.167 -10.97327 33.11618 
1 1 1    7   -8    5 f  675.971   29.923  5777.61  505.107  5630.67  714.234  5924.62  714.424  661.426   43.485  679.060   42.341 -17.63348 60.69363 
1 1 1    7   -8    6 o  326.247   11.905  1331.70   96.988  1339.13  137.172  1324.27  137.152  326.385   16.888  324.552   16.982 1.832550 23.94941 
1 1 1    7   -8    7 o  317.280   11.588  1259.46   91.815  1175.52  129.620  1343.99  130.072  305.694   17.048  327.461   15.907 -21.76630 23.31613 
1 1 1    7   -8    8 o  628.326   19.616  4959.77  307.780  4723.50  434.831  5196.98  435.703  611.101   28.494  641.363   27.204 -30.26233 39.39528 
1 1 1    7   -8    9 o  241.673   9.7925  730.468   59.098  666.093   83.072  796.432   84.091  230.095   14.532  251.811   13.421 -21.71562 19.78179 
1 1 1    7   -8   10 o  355.786   12.135  1585.02  107.811  1489.93  151.875  1681.61  153.069  343.944   17.743  365.996   16.748 -22.05203 24.39900 
1 1 1    7   -8   11 o  413.975   13.303  2148.17  137.524  1978.10  193.740  2320.89  195.247  396.350   19.574  429.566   18.201 -33.21625 26.72915 
1 1 1    7   -8   12 o  110.030   12.779  153.812   34.459  123.597   47.025  188.854   50.642   97.252   20.030  121.353   17.192 -24.10021 26.39651 
1 1 1    7   -8   13 o  429.486   14.167  2316.80  151.939  2201.23  213.935  2434.43  215.826  417.284   20.530  439.050   19.685 -21.76520 28.44304 
1 1 1    7   -8   14 o  310.206   15.982  1215.18  123.384   0.0000   0.0000  1215.18  123.384  ?   ?   310.206   15.982 0.000000 15.98222 
1 1 1    7   -8   15 o  330.410   17.056  1382.56  140.246  1382.56  140.246   0.0000   0.0000  330.410   17.056  ?   ?  0.000000 17.05571 
1 1 1    7   -8   16 o   93.311   8.7280  110.043   20.101   86.616   25.141  151.562   33.469   82.045   12.680  109.082   12.513 -27.03641 17.81456 
1 1 1    7   -8   17 o  127.189   10.537  204.530   33.164  201.413   49.476  207.073   44.691  125.150   16.212  127.326   14.303 -2.175308 21.61982 
1 1 1    7   -8   18 o  171.870   13.587  374.999   57.840  393.230   74.745  347.788   91.315  175.146   17.316  162.949   23.087 12.19759 28.85930 
1 1 1    7   -8   19 o  276.350   10.974  960.644   75.730  929.779  104.632  994.599  109.747  270.440   15.559  279.667   15.779 -9.227142 22.15970 
1 1 1    7   -8   20 o  327.294   11.523  1349.13   94.179  1234.52  129.949  1475.94  136.685  311.157   16.786  340.951   16.054 -29.79437 23.22722 
1 1 1    7   -8   21 f  205.359   10.366  531.761   52.985  573.463   70.830  478.772   79.842  212.595   13.410  193.297   16.705 19.29820 21.42190 
1 1 1    7   -8   22 o  227.012   10.618  648.632   60.194  670.951   80.077  619.637   91.271  229.795   14.022  219.983   16.740 9.811646 21.83676 
1 1 1    7   -8   23 o  113.331   14.277  165.239   39.508  194.279   55.480  135.362   56.274  121.827   18.845  100.290   22.965 21.53704 29.70689 
1 1 1    7   -8   24 o  219.615   12.111  610.920   66.160  699.121   80.439  426.481  116.320  234.494   13.797  178.139   26.994 56.35573 30.31594 
1 1 1    7   -8   25 o   83.573   12.942   90.413   26.136  100.768   30.192   59.455   52.205   88.036   14.218   70.198   24.366 17.83785 28.21122 
1 1 1    7   -8   26 o  120.548   11.641  185.312   34.606  214.710   41.048  113.084   64.341  129.558   12.857   91.159   26.609 38.39856 29.55289 
1 1 1    7   -8   27 o  104.433   18.125  144.367   45.553  144.367   45.553   0.0000   0.0000  104.433   18.125  ?   ?  0.000000 18.12457 
1 1 1    7   -8   28 o  164.968   11.572  346.829   47.372  414.743   57.134  197.446   84.735  180.080   12.788  117.837   28.994 62.24342 31.68897 
1 1 1    7   -8   29 o   95.730   12.960  119.135   30.184  136.245   35.416   73.713   57.705  102.078   14.285   75.016   25.637 27.06218 29.34833 
1 1 1    7   -8   30 o  128.723   12.208  213.958   38.773  264.144   46.499   99.435   70.243  142.763   13.192   84.138   28.288 58.62513 31.21284 
1 1 1    7   -8   31 o   28.490   12.990 -11.8709   20.444  -9.4040   23.264 -20.2375   42.844   31.514   14.162   41.374   18.841 -9.860065 23.57050 
1 1 1    7   -8   32 o   55.472   16.985   41.712   25.737   53.987   30.081   8.1815   49.717   62.393   18.189   50.826   21.818 11.56765 28.40555 
1 1 1    7   -8   33 o  135.420   12.379  240.810   41.398  291.364   49.896  129.142   74.157  148.308   13.625   89.768   29.019 58.53967 32.05820 
1 1 1    7   -8   34 o  139.465   12.466  256.811   42.959  314.838   51.883  130.287   76.613  153.705   13.660   88.573   29.543 65.13195 32.54805 
1 1 1    7   -8   35 o  149.324   20.808  325.593   75.481  325.593   75.481   0.0000   0.0000  149.324   20.808  ?   ?  0.000000 20.80755 
1 1 1    7   -8   36 o   37.225   16.280   0.0655   28.748 -12.1933   32.275   47.148   63.251   35.926   16.358   61.757   25.430 -25.83049 30.23701 
1 1 1    7   -8   37 o   36.677   16.191  -1.1977   29.051   17.018   33.817 -52.5055   56.755   44.699   18.518   40.402   19.397 4.297352 26.81734 
1 1 1    7   -7    0 o  312.173   11.248  1219.22   87.683  1237.40  124.149  1201.12  123.856  313.781   15.896  309.109   16.101 4.671906 22.62595 
1 1 1    7   -7    1 o  387.562   13.129  1880.39  127.065  1849.74  179.806  1910.96  179.587  383.865   18.757  390.201   18.430 -6.336121 26.29687 
1 1 1    7   -7    2 o  342.210   12.096  1465.35  103.365  1446.36  146.244  1484.31  146.116  339.165   17.325  344.055   17.007 -4.890228 24.27700 
1 1 1    7   -7    3 o  414.378   13.841  2149.83  143.226  2115.47  202.595  2184.17  202.510  410.470   19.765  417.118   19.442 -6.648956 27.72434 
1 1 1    7   -7    4 o  298.541   11.031  1114.73   82.235  1080.56  116.348  1148.85  116.247  293.228   15.949  302.437   15.444 -9.209778 22.20091 
1 1 1    7   -7    5 o  234.877   9.6716  689.709   56.727  727.739   80.518  652.229   79.934  240.747   13.447  227.805   14.121 12.94232 19.49915 
1 1 1    7   -7    6 o  507.742   16.413  3230.99  208.101  3205.17  294.265  3256.83  294.333  504.743   23.346  508.824   23.164 -4.080719 32.88829 
1 1 1    7   -7    7 o  486.029   21.739  2969.30  263.850  2490.01  372.367  3452.58  373.917  441.706   34.021  522.014   28.796 -80.30783 44.57119 
1 1 1    7   -7    8 o  298.231   10.971  1112.49   81.708  1132.54  115.483  1092.39  115.621  300.251   15.455  294.831   15.761 5.419495 22.07405 
1 1 1    7   -7    9 o  671.743   20.791  5672.09  348.766  5407.61  492.800  5937.49  493.661  653.474   30.199  685.161   28.853 -31.68683 41.76665 
1 1 1    7   -7   10 o  486.607   15.201  2968.03  184.717  2731.97  260.637  3206.24  261.825  465.796   22.407  504.909   20.766 -39.11374 30.55000 
1 1 1    7   -7   11 o  509.569   15.787  3257.26  200.888  3015.12  283.454  3501.61  284.746  488.943   23.215  527.262   21.626 -38.31955 31.72767 
1 1 1    7   -7   12 o  224.302   9.7388  629.465   54.549  638.355   76.223  620.133   78.101  225.255   13.615  221.936   14.166 3.318985 19.64770 
1 1 1    7   -7   13 o  308.837   10.925  1194.44   84.256  1030.11  118.098  1364.80  120.244  285.777   16.621  329.743   14.603 -43.96689 22.12430 
1 1 1    7   -7   14 o  579.052   38.338  4381.02  551.224  4381.02  551.224   0.0000   0.0000  579.052   38.338  ?   ?  0.000000 38.33751 
1 1 1    7   -7   15 o  302.596   11.231  1148.14   84.863  1136.17  118.701  1160.64  121.373  299.966   15.903  303.147   16.091 -3.181610 22.62357 
1 1 1    7   -7   16 o  341.247   11.765  1461.94  100.257  1393.87  140.434  1532.70  143.176  331.805   17.006  348.502   16.452 -16.69629 23.66146 
1 1 1    7   -7   17 o  178.931   9.3386  402.427   41.582  407.910   56.558  395.976   61.347  179.649   12.689  176.752   14.014 2.896652 18.90468 
1 1 1    7   -7   18 o   97.320   8.7511  119.674   21.040  109.069   26.466  137.890   34.684   92.410   11.733  103.707   13.731 -11.29701 18.06075 
1 1 1    7   -7   19 o  142.051   13.456  256.746   47.162  269.147   58.595  233.933   79.473  144.810   16.498  132.591   24.917 12.21843 29.88393 
1 1 1    7   -7   20 o  334.811   12.016  1411.96  100.463  1376.36  139.601  1450.19  144.689  328.692   17.067  337.348   17.233 -8.656036 24.25362 
1 1 1    7   -7   21 o  252.494   10.368  801.526   65.376  787.026   88.773  818.710   96.637  249.025   14.336  253.715   15.325 -4.689774 20.98482 
1 1 1    7   -7   22 o  100.814   10.458  129.179   25.946  123.763   31.805  139.955   44.863   98.109   13.327  103.337   18.042 -5.227798 22.42998 
1 1 1    7   -7   23 o  257.296   10.824  833.370   69.546  899.215   93.530  751.944  104.009  266.150   14.123  242.298   17.304 23.85161 22.33547 
1 1 1    7   -7   24 o  339.976   17.698  1479.95  149.735  1622.39  212.181  1338.65  211.336  352.225   24.271  318.194   26.848 34.03101 36.19248 
1 1 1    7   -7   25 f  184.802   11.502  432.386   52.818  488.204   63.964  312.754   93.643  196.010   13.144  152.749   25.445 43.26181 28.63938 
1 1 1    7   -7   26 o  119.274   11.513  181.179   33.865  212.641   40.289  105.434   62.513  129.055   12.665   88.535   26.333 40.51972 29.22014 
1 1 1    7   -7   27 o  158.106   11.427  317.372   44.811  371.841   54.012  197.075   80.268  170.869   12.750  119.484   27.475 51.38467 30.28968 
1 1 1    7   -7   28 o  199.691   11.645  506.437   57.817  566.254   69.963  377.605  102.676  210.641   13.370  166.954   25.431 43.68718 28.73142 
1 1 1    7   -7   29 f  211.773   15.511  579.005   81.455  579.005   81.455   0.0000   0.0000  211.773   15.511  ?   ?  0.000000 15.51053 
1 1 1    7   -7   30 o  189.797   11.901  460.714   56.118  577.488   68.345  219.048   98.319  212.118   12.965  121.482   31.974 90.63606 34.50253 
1 1 1    7   -7   31 o   61.344   16.047   50.881   24.864   48.507   28.491   58.466   50.922   60.065   17.757   67.796   24.025 -7.730324 29.87449 
1 1 1    7   -7   32 o   44.927   16.014   23.590   22.658   48.777   26.068 -54.2336   45.822   59.820   16.773   36.977   17.666 22.84302 24.36046 
1 1 1    7   -7   33 f  121.235   16.597  199.002   48.927  227.620   71.370  173.626   67.205  125.118   23.710  107.768   25.390 17.35004 34.73922 
1 1 1    7   -7   34 o   36.042   15.157   4.7314   23.164   31.412   26.316 -87.0907   48.819   49.700   17.297   33.944   16.671 15.75631 24.02333 
1 1 1    7   -7   35 o   58.108   17.967   47.288   28.718   74.836   33.991 -21.4307   53.685   72.105   18.715   45.364   20.821 26.74075 27.99537 
1 1 1    7   -7   36 o   46.184   18.604   19.484   32.975   19.484   32.975   0.0000   0.0000   46.184   18.604  ?   ?  0.000000 18.60353 
1 1 1    7   -7   37 o   97.265   19.979  141.107   46.903  141.107   46.903   0.0000   0.0000   97.265   19.979  ?   ?  0.000000 19.97923 
1 1 1    7   -7   38 o   41.033   17.448   9.2993   31.252   39.451   36.944 -66.5631   58.600   53.736   20.234   39.406   19.113 14.32962 27.83363 
1 1 1    7   -6    0 o  333.514   16.922  1399.46  140.474  1453.23  199.013  1346.08  198.308  338.664   23.681  325.696   24.563 12.96826 34.11969 
1 1 1    7   -6    1 o  217.904   13.411  596.890   72.618  567.652  102.822  625.987  102.575  211.634   19.681  222.490   18.634 -10.85648 27.10286 
1 1 1    7   -6    2 o   77.629   8.7336   76.286   16.636   87.500   23.951   65.832   23.125   82.773   11.932   71.344   13.474 11.42850 17.99780 
1 1 1    7   -6    3 f  356.576   12.298  1591.20  109.505  1613.28  155.005  1569.20  154.723  358.638   17.308  353.685   17.518 4.952911 24.62607 
1 1 1    7   -6    4 o  319.955   11.526  1280.67   92.091  1279.42  130.400  1281.91  130.074  319.064   16.422  319.383   16.364 -0.3187561 23.18320 
1 1 1    7   -6    5 o  464.074   14.912  2697.42  172.810  2671.19  244.462  2723.63  244.318  461.075   21.232  465.609   21.013 -4.534180 29.87190 
1 1 1    7   -6    6 o  216.916   9.2250  588.186   49.970  610.404   70.844  566.188   70.493  220.474   12.924  212.266   13.367 8.207626 18.59333 
1 1 1    7   -6    7 o  280.923   10.755  986.928   75.448  950.507  106.640  1023.43  106.760  275.012   15.592  285.462   15.029 -10.44998 21.65643 
1 1 1    7   -6    8 o  642.222   19.955  5178.46  320.033  5020.86  452.392  5336.35  452.797  630.505   28.733  650.227   27.886 -19.72217 40.03998 
1 1 1    7   -6    9 o  462.027   21.175  2682.62  244.312  2412.04  344.960  2954.93  346.063  435.202   31.965  482.755   28.838 -47.55368 43.05120 
1 1 1    7   -6   10 o  112.362   8.7215  158.769   24.280  196.043   33.837  119.211   34.859  124.709   10.977   96.422   14.962 28.28743 18.55708 
1 1 1    7   -6   11 o  341.102   12.245  1456.34  104.298  1584.94  147.258  1326.89  147.744  355.477   16.589  324.588   18.302 30.88947 24.70138 
1 1 1    7   -6   12 o  457.850   14.830  2627.96  169.560  2533.34  239.294  2723.38  240.296  448.563   21.363  465.204   20.685 -16.64114 29.73605 
1 1 1    7   -6   13 o  574.744   25.537  4181.27  366.513   0.0000   0.0000  4181.27  366.513  ?   ?   574.744   25.537 0.000000 25.53665 
1 1 1    7   -6   14 o  353.961   17.556  1576.16  155.177  1576.16  155.177   0.0000   0.0000  353.961   17.556  ?   ?  0.000000 17.55588 
1 1 1    7   -6   15 o  200.543   13.259  506.853   66.024  529.655   92.544  483.218   94.221  204.180   18.346  194.697   19.648 9.483765 26.88175 
1 1 1    7   -6   16 f  337.436   13.191  1429.98  111.149  1355.44  135.614  1582.53  193.999  327.552   16.634  352.460   22.154 -24.90796 27.70377 
1 1 1    7   -6   17 o  280.322   10.679  985.554   74.756  985.858  104.305  985.232  107.196  279.365   15.006  279.183   15.436 0.1821594 21.52802 
1 1 1    7   -6   18 o  100.704   8.7141  128.002   21.698  117.342   27.549  145.419   35.214   95.940   11.744  106.646   13.527 -10.70628 17.91365 
1 1 1    7   -6   19 o  330.476   11.638  1373.14   96.043  1352.56  134.027  1394.86  137.697  326.454   16.494  331.470   16.689 -5.016205 23.46425 
1 1 1    7   -6   20 o   39.685   12.428   19.638   13.692   22.583   15.842   10.946   27.219   42.560   13.375   42.213   16.938 0.3467941 21.58187 
1 1 1    7   -6   21 o  193.183   13.575  473.372   65.069  442.383   82.353  524.866  106.160  185.612   17.993  201.217   21.458 -15.60471 28.00387 
1 1 1    7   -6   22 o   49.320   13.085   31.786   16.381   45.123   19.018  -6.5445   32.242   58.644   13.293   39.381   17.231 19.26260 21.76316 
1 1 1    7   -6   23 o  171.923   9.7677  372.565   41.762  374.367   54.157  369.921   65.593  171.781   12.715  170.072   15.619 1.709167 20.14027 
1 1 1    7   -6   24 o   69.250   12.529   62.338   20.869   59.894   24.429   68.941   40.150   67.461   14.899   72.401   20.987 -4.939125 25.73796 
1 1 1    7   -6   25 o  209.526   11.536  555.042   60.127  590.266   72.993  480.689  106.049  215.573   13.629  191.532   22.608 24.04056 26.39891 
1 1 1    7   -6   26 o   74.335   17.940   73.435   32.920  131.004   46.982   17.906   46.142   99.366   19.630   54.190   21.944 45.17548 29.44287 
1 1 1    7   -6   27 o   66.797   14.406   58.763   23.324   57.500   26.757   62.760   47.594   65.871   16.344   70.549   23.273 -4.677696 28.43921 
1 1 1    7   -6   28 o  264.936   12.804  889.358   84.713  1015.41  103.387  631.822  147.776  282.066   14.729  216.004   28.059 66.06181 31.68984 
1 1 1    7   -6   29 o   68.799   15.049   62.728   25.136   84.349   29.336   3.0176   48.751   79.990   15.243   50.889   21.719 29.10078 26.53380 
1 1 1    7   -6   30 o   71.537   19.654   69.091   36.191   69.091   36.191   0.0000   0.0000   71.537   19.654  ?   ?  0.000000 19.65448 
1 1 1    7   -6   31 o  180.617   11.805  417.390   52.954  524.457   64.469  195.356   92.840  202.115   12.840  114.825   31.451 87.29066 33.97122 
1 1 1    7   -6   32 o   43.200   15.724   20.567   21.978   27.537   25.200  -1.5768   44.918   48.120   16.916   47.009   20.459 1.110855 26.54689 
1 1 1    7   -6   33 o   62.747   16.635   53.937   26.487   59.032   30.827   39.564   51.776   65.394   18.206   60.875   23.689 4.518108 29.87736 
1 1 1    7   -6   34 o   37.282   16.847 -13.1249   33.456 -45.0232   49.940   12.847   45.062   40.260   19.002   50.087   21.106 -9.826527 28.39980 
1 1 1    7   -6   35 o   55.121   22.539   26.756   49.253   0.0000   0.0000   26.756   49.253  ?   ?    55.121   22.539 0.000000 22.53897 
1 1 1    7   -6   36 o   49.977   17.746   31.736   27.796   20.039   32.178   66.122   55.172   46.406   18.486   68.128   24.895 -21.72184 31.00748 
1 1 1    7   -6   37 o   53.129   18.436   38.078   29.883   40.614   35.150   31.467   56.754   55.197   19.916   57.331   23.890 -2.134624 31.10264 
1 1 1    7   -6   38 o   55.240   22.184   35.815   46.737   35.815   46.737   0.0000   0.0000   55.240   22.184  ?   ?  0.000000 22.18419 
1 1 1    7   -5    0 o  369.262   12.768  1708.37  117.736  1686.09  166.510  1730.64  166.498  366.197   18.208  371.038   17.970 -4.840332 25.58240 
1 1 1    7   -5    1 o  194.732   8.9803  474.229   43.670  470.149   61.819  478.294   61.698  193.305   12.880  194.996   12.741 -1.690384 18.11685 
1 1 1    7   -5    2 o   71.525   12.987   66.050   22.342   57.293   32.023   74.356   31.187   66.584   18.563   75.495   16.957 -8.910934 25.14170 
1 1 1    7   -5    3 o  459.738   21.448  2659.31  246.232  2621.69  348.284  2696.91  348.167  453.609   30.931  460.234   30.466 -6.625488 43.41608 
1 1 1    7   -5    4 f  233.827   9.6033  683.654   56.074  694.554   79.434  672.827   79.170  235.125   13.587  231.387   13.764 3.738388 19.33990 
1 1 1    7   -5    5 o  152.414   8.5258  291.265   32.320  266.633   45.886  315.516   45.530  145.403   12.767  158.386   11.592 -12.98338 17.24419 
1 1 1    7   -5    6 o  133.403   8.3708  223.299   27.745  209.351   39.501  236.881   38.978  128.751   12.441  137.132   11.488 -8.381012 16.93387 
1 1 1    7   -5    7 o  337.891   11.868  1428.29  100.142  1416.01  141.726  1440.52  141.519  335.674   16.963  339.014   16.717 -3.339569 23.81538 
1 1 1    7   -5    8 o  316.159   11.560  1250.32   91.266  1204.01  128.992  1296.75  129.148  309.491   16.753  321.702   16.076 -12.21130 23.21846 
1 1 1    7   -5    9 o  552.936   17.389  3833.34  240.105  3716.23  339.371  3950.71  339.747  543.220   25.018  560.234   24.285 -17.01416 34.86610 
1 1 1    7   -5   10 o  147.034   8.5047  271.113   31.093  272.447   43.731  269.748   44.219  147.079   12.011  146.322   12.213 0.7568207 17.13008 
1 1 1    7   -5   11 o  487.520   21.527  2988.26  262.075  2506.96  369.506  3475.47  371.764  443.124   33.643  523.645   28.538 -80.52142 44.11674 
1 1 1    7   -5   12 o  611.631   27.277  4727.48  416.612   0.0000   0.0000  4727.48  416.612  ?   ?   611.631   27.277 0.000000 27.27671 
1 1 1    7   -5   13 o  338.797   14.173  1438.41  119.913  1543.42  146.563  1225.79  208.551  350.695   16.736  310.105   27.206 40.58984 31.94138 
1 1 1    7   -5   14 o  727.867   22.299  6683.92  405.319  6593.65  572.716  6774.51  573.701  719.064   31.895  729.041   31.513 -9.976624 44.83662 
1 1 1    7   -5   15 o   99.837   9.3364  125.803   23.006  149.330   30.435   94.436   35.142  108.599   11.392   85.167   17.117 23.43127 20.56185 
1 1 1    7   -5   16 o  299.910   11.362  1127.21   85.096  1160.96  119.288  1092.25  121.429  303.442   15.797  294.151   16.599 9.291138 22.91446 
1 1 1    7   -5   17 o  141.397   12.332  252.789   43.109  271.894   60.242  232.739   61.715  145.932   16.840  134.456   18.903 11.47614 25.31603 
1 1 1    7   -5   18 o  154.428   8.2898  299.428   31.851  287.672   42.431  314.604   48.210  150.986   11.337  157.788   12.333 -6.802460 16.75188 
1 1 1    7   -5   19 o  165.758   8.5994  345.133   35.473  318.637   47.449  378.707   53.412  158.774   12.057  173.109   12.439 -14.33556 17.32331 
1 1 1    7   -5   20 o  375.357   12.991  1774.43  121.767  1726.19  170.568  1824.57  173.888  368.112   18.616  378.997   18.373 -10.88510 26.15571 
1 1 1    7   -5   21 o  103.823   9.0542  136.221   23.240  130.542   28.951  146.511   38.970  101.210   11.669  106.640   15.052 -5.429466 19.04540 
1 1 1    7   -5   22 o   88.951   14.641  102.582   31.390  103.007   34.747  100.697   73.207   88.796   16.270   88.615   28.847 0.1808548 33.11826 
1 1 1    7   -5   23 o  240.037   10.970  724.846   65.753  793.554   89.188  643.034   97.322  250.099   14.340  224.143   17.527 25.95593 22.64602 
1 1 1    7   -5   24 o  143.276   9.7332  259.069   34.617  263.195   43.953  252.327   56.180  143.957   12.346  140.032   16.375 3.924576 20.50776 
1 1 1    7   -5   25 o  157.698   10.881  314.462   42.587  369.334   51.459  195.188   75.869  170.714   12.150  120.173   26.034 50.54144 28.73021 
1 1 1    7   -5   26 o  230.426   12.121  671.699   69.500  774.074   84.732  461.194  121.501  246.947   13.795  185.803   26.975 61.14342 30.29758 
1 1 1    7   -5   27 o   93.981   15.990  115.360   36.182  113.407   51.628  117.245   50.724   91.777   22.662   93.403   22.093 -1.626076 31.64909 
1 1 1    7   -5   28 o  316.968   13.895  1274.20  109.982  1372.57  134.542  1076.05  190.945  327.552   16.502  284.022   27.257 43.52924 31.86264 
1 1 1    7   -5   29 o  192.161   11.975  468.790   57.177  569.825   69.494  257.088  100.594  211.563   13.220  135.581   30.455 75.98167 33.20095 
1 1 1    7   -5   30 o   62.060   15.834   51.214   24.619   86.215   28.634 -48.0228   48.215   81.007   14.696   40.011   18.819 40.99663 23.87741 
1 1 1    7   -5   31 f  119.387   12.336  183.190   36.248  189.874   42.576  165.584   69.105  120.967   14.376  108.705   25.837 12.26173 29.56731 
1 1 1    7   -5   32 o   69.228   15.721   64.394   26.557   81.160   30.524   12.164   53.875   77.747   16.245   54.847   23.093 22.90030 28.23451 
1 1 1    7   -5   33 o  130.750   12.281  221.137   39.629  284.499   47.967   84.908   70.334  148.099   13.105   79.210   28.217 68.88851 31.11196 
1 1 1    7   -5   34 o   95.785   13.617  121.301   31.654  141.745   37.468   70.322   59.165  103.105   14.991   72.229   25.864 30.87650 29.89455 
1 1 1    7   -5   35 o  154.962   12.411  313.476   47.624  389.149   58.130  158.990   83.056  171.994   13.646   99.465   30.522 72.52968 33.43344 
1 1 1    7   -5   36 o  103.019   18.690  149.153   46.310  274.078   70.008   51.957   61.751  138.675   20.862   65.447   25.753 73.22789 33.14321 
1 1 1    7   -5   37 o   79.923   17.216   90.138   33.345  154.126   40.188 -51.2444   59.738  106.079   15.640   43.249   20.522 62.83019 25.80300 
1 1 1    7   -5   38 o   57.872   18.814   47.549   31.145   43.891   37.174   56.164   57.046   56.864   20.487   64.173   24.896 -7.309425 32.24121 
1 1 1    7   -5   39 o   68.991   21.658   73.663   41.551  119.304   50.976 -16.7005   71.728   86.519   23.143   51.239   23.714 35.27995 33.13493 
1 1 1    7   -4    0 o  114.321   8.0038  164.236   22.705  186.416   32.361  142.734   31.864  121.542   10.774  106.023   12.261 15.51867 16.32226 
1 1 1    7   -4    1 f  404.929   13.528  2055.93  136.796  2061.83  193.492  2050.03  193.426  404.657   19.148  403.489   19.197 1.167603 27.11412 
1 1 1    7   -4    2 o  317.317   11.456  1260.72   90.775  1266.40  128.441  1255.06  128.310  317.171   16.271  315.734   16.330 1.436737 23.05240 
1 1 1    7   -4    3 o  215.636   9.2471  581.544   49.794  572.507   70.520  590.530   70.320  213.356   13.302  216.729   13.054 -3.372894 18.63744 
1 1 1    7   -4    4 o  517.300   23.642  3373.77  305.400  3446.51  432.128  3301.17  431.674  519.317   33.501  507.948   34.231 11.36810 47.89658 
1 1 1    7   -4    5 o  102.284   11.810  132.652   29.610  116.345   41.869  148.968   41.882   94.681   18.371  107.845   16.040 -13.16409 24.38793 
1 1 1    7   -4    6 o  343.061   12.120  1472.69  103.833  1454.70  146.899  1490.66  146.786  340.133   17.353  344.780   17.049 -4.646790 24.32641 
1 1 1    7   -4    7 o  161.504   8.5414  326.921   34.325  290.468   48.652  363.049   48.435  151.795   12.959  169.975   11.478 -18.18082 17.31155 
1 1 1    7   -4    8 o  219.910   9.4571  604.563   51.934  591.646   73.501  617.441   73.392  216.981   13.634  221.711   13.318 -4.730057 19.05930 
1 1 1    7   -4    9 o  108.038   8.2592  146.725   22.114  166.498   31.343  127.128   31.204  114.853   11.065   99.985   12.791 14.86819 16.91289 
1 1 1    7   -4   10 o  353.518   12.240  1563.62  108.056  1450.40  152.602  1677.47  153.028  339.598   18.060  365.838   16.751 -26.23969 24.63195 
1 1 1    7   -4   11 o  412.005   13.744  2125.09  141.403  2016.09  199.671  2234.76  200.277  400.711   19.954  421.991   19.005 -21.28067 27.55677 
1 1 1    7   -4   12 o  364.764   25.717  1685.72  232.753   0.0000   0.0000  1685.72  232.753  ?   ?   364.764   25.717 0.000000 25.71716 
1 1 1    7   -4   13 o  130.213   16.353  215.922   52.000  215.922   52.000   0.0000   0.0000  130.213   16.353  ?   ?  0.000000 16.35253 
1 1 1    7   -4   14 o  418.420   14.087  2193.87  147.192  2356.69  207.945  2030.37  208.378  432.996   19.231  401.134   20.874 31.86157 28.38290 
1 1 1    7   -4   15 o  432.798   14.054  2348.55  151.895  2241.64  214.069  2456.96  215.564  421.877   20.320  441.819   19.538 -19.94162 28.18912 
1 1 1    7   -4   16 o  402.553   13.638  2032.62  137.097  2036.34  193.145  2028.84  194.632  402.013   19.239  401.237   19.425 0.7757263 27.34023 
1 1 1    7   -4   17 o  340.485   12.059  1453.60  102.529  1439.79  143.963  1467.81  146.056  337.720   17.126  340.981   17.208 -3.260406 24.27854 
1 1 1    7   -4   18 o  311.787   10.820  1218.62   84.245  1123.45  117.566  1319.07  120.780  298.277   15.841  323.800   14.937 -25.52289 21.77253 
1 1 1    7   -4   19 o  101.237   12.760  130.800   31.542  131.025   43.188  130.542   46.176  100.345   17.891   99.895   19.208 0.4503708 26.24968 
1 1 1    7   -4   20 o  377.623   13.230  1794.86  124.759  1867.40  175.166  1720.18  177.734  383.784   18.277  367.497   19.436 16.28662 26.68010 
1 1 1    7   -4   21 o  123.837   8.9492  193.258   27.488  226.727   35.672  144.332   43.130  133.930   10.757  105.472   16.949 28.45869 20.07464 
1 1 1    7   -4   22 o  168.524   8.8398  357.118   37.071  365.539   48.713  345.531   57.143  170.089   11.537  164.878   14.012 5.211212 18.15023 
1 1 1    7   -4   23 o  189.434   9.6141  451.653   45.331  460.000   60.199  440.722   68.891  190.617   12.720  186.072   14.953 4.545883 19.63081 
1 1 1    7   -4   24 o  129.393   13.960  213.942   44.394  204.022   50.578  247.230   92.651  125.747   16.506  135.102   28.366 -9.354691 32.81837 
1 1 1    7   -4   25 o  102.451   10.844  133.494   27.321  152.005   32.377   87.719   50.914  109.174   12.078   81.431   23.642 27.74331 26.54875 
1 1 1    7   -4   26 o  164.530   10.725  342.023   43.823  399.169   53.036  219.034   77.805  177.540   12.034  127.720   25.290 49.82098 28.00681 
1 1 1    7   -4   27 o  240.185   12.188  729.689   72.860  815.109   88.813  553.874  127.416  253.351   14.094  204.609   25.490 48.74171 29.12677 
1 1 1    7   -4   28 o  233.533   12.031  690.150   69.926  762.652   85.317  541.775  122.051  244.958   14.005  202.437   24.652 42.52048 28.35311 
1 1 1    7   -4   29 o  239.965   14.899  734.694   88.840  890.032  126.823  585.027  124.487  262.280   19.503  210.328   24.139 51.95206 31.03297 
1 1 1    7   -4   30 o   63.600   15.200   53.594   23.812   71.528   27.780   3.9246   46.232   73.536   15.611   50.023   21.245 23.51264 26.36345 
1 1 1    7   -4   31 o   68.448   15.109   62.177   25.135   73.188   29.256   31.146   49.115   74.141   16.250   59.096   23.052 15.04541 28.20354 
1 1 1    7   -4   32 f  146.093   11.493  272.663   41.592  333.049   50.567  146.383   73.125  161.177   12.666  101.454   27.964 59.72327 30.69880 
1 1 1    7   -4   33 f  170.898   19.084  389.465   80.054  389.465   80.054   0.0000   0.0000  170.898   19.084  ?   ?  0.000000 19.08434 
1 1 1    7   -4   34 o  114.484   12.769  170.607   35.883  210.805   43.462   84.540   63.595  126.928   13.942   78.212   26.908 48.71600 30.30522 
1 1 1    7   -4   35 o   89.969   17.124  110.704   37.068  110.704   37.068   0.0000   0.0000   89.969   17.124  ?   ?  0.000000 17.12432 
1 1 1    7   -4   36 o   88.521   15.335  106.266   32.671  166.730   39.143 -32.5918   59.318  111.819   14.349   46.562   21.555 65.25723 25.89396 
1 1 1    7   -4   37 o   98.175   19.900  137.777   47.116  194.133   70.619   92.567   63.251  112.650   25.675   78.111   26.837 34.53888 37.14092 
1 1 1    7   -4   38 o  113.595   14.216  173.995   39.444  223.566   48.214   73.670   68.590  128.181   15.369   71.534   27.419 56.64661 31.43251 
1 1 1    7   -4   39 o   62.113   19.019   56.123   32.271   46.340   38.669   78.568   58.571   58.009   20.895   71.213   25.707 -13.20388 33.12748 
1 1 1    7   -4   40 f   76.501   19.520   88.342   37.413  131.865   45.579  -1.5422   65.501   93.496   20.118   51.658   23.436 41.83750 30.88711 
1 1 1    7   -3    0 o  215.896   9.2800  583.357   50.031  592.175   70.814  574.568   70.697  216.872   13.138  213.587   13.321 3.284882 18.70964 
1 1 1    7   -3    1 f   81.093   8.2827   83.109   16.537   83.991   23.492   82.243   23.284   81.001   11.975   80.132   12.006 0.8690414 16.95662 
1 1 1    7   -3    2 o  161.519   8.4274  327.194   33.874  332.264   47.935  322.138   47.874  162.414   11.902  159.885   12.080 2.528381 16.95800 
1 1 1    7   -3    3 o  204.566   9.0688  523.468   46.327  506.233   65.547  540.670   65.484  200.539   13.162  207.330   12.709 -6.790833 18.29669 
1 1 1    7   -3    4 o  733.903   22.569  6794.11  413.617  6893.46  585.109  6694.88  584.777  735.552   31.855  724.669   32.315 10.88312 45.37571 
1 1 1    7   -3    5 o  214.597   9.2228  575.871   49.424  596.170   70.086  555.790   69.708  217.806   12.944  210.229   13.347 7.576721 18.59301 
1 1 1    7   -3    6 o  479.204   15.520  2878.31  185.721  2862.49  262.713  2894.11  262.586  476.948   22.058  479.598   21.925 -2.649445 31.10075 
1 1 1    7   -3    7 o  244.260   14.117  749.629   85.739  723.260  121.270  775.985  121.237  239.068   20.512  247.804   19.756 -8.736084 28.47891 
1 1 1    7   -3    8 o  236.916   11.126  702.039   65.825  704.045   80.544  698.004  114.224  236.757   13.681  234.997   19.645 1.760208 23.93955 
1 1 1    7   -3    9 o  412.151   13.814  2126.44  142.181  2119.19  201.120  2133.68  201.028  410.912   19.600  412.324   19.524 -1.411469 27.66485 
1 1 1    7   -3   10 o  582.702   18.354  4258.54  267.078  4154.30  377.572  4362.93  377.840  574.168   26.334  588.535   25.709 -14.36694 36.80229 
1 1 1    7   -3   11 o  131.167   12.141  217.076   39.315   0.0000   0.0000  217.076   39.315  ?   ?   131.167   12.141 0.000000 12.14067 
1 1 1    7   -3   12 o  473.827   21.893  2822.03  259.051  2822.03  259.051   0.0000   0.0000  473.827   21.893  ?   ?  0.000000 21.89347 
1 1 1    7   -3   13 o  233.903   9.7622  684.081   57.021  724.467   80.323  643.052   80.961  240.183   13.446  226.137   14.412 14.04575 19.71038 
1 1 1    7   -3   14 o  293.639   15.715  1083.96  114.813  1127.88  161.507  1039.09  163.248  298.622   21.809  286.347   23.025 12.27481 31.71363 
1 1 1    7   -3   15 o  425.747   14.113  2271.50  150.049  2267.24  211.763  2275.79  212.642  424.570   19.973  425.363   20.019 -0.7927246 28.27871 
1 1 1    7   -3   16 o  220.886   9.9764  610.497   55.029  663.978   76.753  553.927   78.938  229.770   13.435  209.568   15.187 20.20230 20.27676 
1 1 1    7   -3   17 o  258.655   10.389  837.604   67.105  870.330   93.726  803.184   96.122  262.954   14.327  252.428   15.321 10.52663 20.97663 
1 1 1    7   -3   18 o  328.142   11.445  1349.67   93.784  1293.68  131.427  1407.76  133.868  320.183   16.494  334.508   16.026 -14.32446 22.99703 
1 1 1    7   -3   19 o  185.542   9.1631  431.102   42.456  446.059   58.084  413.945   62.210  188.097   12.436  180.950   13.873 7.147064 18.63111 
1 1 1    7   -3   20 o  181.280   12.815  415.100   57.641  439.543   81.007  390.033   82.035  185.629   17.689  174.438   19.147 11.19131 26.06792 
1 1 1    7   -3   21 f  164.524   9.1419  340.333   37.411  348.991   49.772  329.088   56.722  166.188   12.076  160.969   14.259 5.218933 18.68501 
1 1 1    7   -3   22 o  148.716   9.1556  278.383   33.836  284.959   44.487  269.358   52.116  150.046   11.973  145.378   14.551 4.668060 18.84336 
1 1 1    7   -3   23 o  307.295   11.573  1187.85   88.811  1271.05  122.888  1096.89  128.494  316.936   15.527  293.366   17.621 23.57016 23.48616 
1 1 1    7   -3   24 o   51.226   12.336   34.374   15.592   30.744   17.915   45.711   31.662   48.775   13.985   60.147   18.909 -11.37235 23.51903 
1 1 1    7   -3   25 o  416.548   29.424  2291.60  304.094  2291.60  304.094   0.0000   0.0000  416.548   29.424  ?   ?  0.000000 29.42351 
1 1 1    7   -3   26 o  135.966   10.851  234.010   36.537  266.839   44.012  161.229   65.532  144.988   12.271  109.515   24.567 35.47350 27.46139 
1 1 1    7   -3   27 o  242.963   12.147  744.325   73.701  824.821   89.911  579.466  128.672  254.935   14.179  209.777   25.059 45.15862 28.79227 
1 1 1    7   -3   28 o  176.495   11.032  393.772   48.379  440.259   58.576  294.002   85.813  186.309   12.665  148.840   23.896 37.46922 27.04532 
1 1 1    7   -3   29 o  141.851   11.226  255.162   39.440  319.203   47.510  113.201   70.737  158.574   12.089   91.996   28.157 66.57712 30.64223 
1 1 1    7   -3   30 o   94.808   16.620  117.925   37.915  127.073   54.329  109.241   52.938   96.976   22.816   89.870   23.369 7.105789 32.66019 
1 1 1    7   -3   31 o  130.712   11.479  217.583   37.089  242.363   44.460  160.874   67.258  137.619   13.095  108.275   25.326 29.34364 28.51124 
1 1 1    7   -3   32 o  108.092   12.075  150.020   32.036  164.454   38.166  115.597   58.939  112.767   13.844   91.484   25.060 21.28320 28.62999 
1 1 1    7   -3   33 o   73.220   14.930   71.286   26.373   70.238   31.240   73.888   49.202   72.134   17.518   74.217   23.600 -2.083832 29.39097 
1 1 1    7   -3   35 o   95.765   13.600  120.777   31.609  128.524   37.182  100.584   60.030   98.036   15.719   83.497   26.002 14.53996 30.38421 
1 1 1    7   -3   36 o   96.864   14.050  124.692   32.992  166.710   39.642   29.995   59.512  112.039   14.510   60.099   24.698 51.93935 28.64475 
1 1 1    7   -3   37 o   31.595   14.275 -10.3980   24.008   14.351   28.088 -77.5165   46.255   42.769   17.190   33.811   16.527 8.957718 23.84630 
1 1 1    7   -3   38 o   81.144   16.725   91.659   32.764  111.125   39.267   47.046   59.445   88.720   18.330   63.471   25.175 25.24903 31.14125 
1 1 1    7   -3   39 o   63.069   21.932   56.344   42.303   47.429   63.588   63.422   56.659   63.553   25.752   67.095   25.099 -3.541477 35.95938 
1 1 1    7   -3   40 o  132.522   14.058  238.230   45.812  325.436   56.671   73.766   77.826  154.347   14.888   70.737   28.550 83.61045 32.19819 
1 1 1    7   -2    0 o  209.485   9.1032  549.249   47.621  541.333   67.323  557.176   67.369  207.300   13.072  210.348   12.888 -3.047836 18.35666 
1 1 1    7   -2    1 o  205.935   9.0310  530.747   46.443  556.574   65.789  505.089   65.572  210.285   12.586  200.204   13.190 10.08025 18.23121 
1 1 1    7   -2    2 o  257.792   10.142  832.116   65.290  837.724   92.397  826.523   92.269  257.896   14.405  256.149   14.484 1.747009 20.42770 
1 1 1    7   -2    3 o  269.905   10.376  912.089   69.932  896.494   98.835  927.725   98.962  266.790   14.895  271.449   14.653 -4.658661 20.89433 
1 1 1    7   -2    4 o  379.618   13.011  1806.41  123.343  1823.98  174.486  1788.85  174.380  380.726   18.353  377.014   18.522 3.711639 26.07460 
1 1 1    7   -2    5 o  206.216   9.0810  531.860   46.763  551.549   66.259  512.320   66.008  209.445   12.729  201.779   13.172 7.666245 18.31751 
1 1 1    7   -2    6 o  529.306   16.748  3515.65  221.375  3526.11  313.155  3505.20  312.989  528.769   23.716  527.185   23.775 1.583069 33.58109 
1 1 1    7   -2    7 o  542.370   17.258  3690.39  233.747  3773.37  330.717  3607.56  330.418  547.183   24.203  534.916   24.736 12.26715 34.60724 
1 1 1    7   -2    8 o  767.706   23.576  7419.06  451.973  7526.91  639.387  7311.35  638.986  770.184   33.244  758.902   33.717 11.28229 47.35039 
1 1 1    7   -2    9 o  601.157   26.883  4557.46  403.574  4687.03  570.986  4428.12  570.493  605.557   37.951  588.125   39.067 17.43170 54.46527 
1 1 1    7   -2   10 o  414.252   16.068  2150.03  166.216  2212.18  203.579  2025.76  287.875  419.864   19.417  399.528   29.053 20.33667 34.94394 
1 1 1    7   -2   11 o  622.076   19.413  4855.85  301.565  4755.19  426.352  4956.63  426.603  613.997   27.807  626.994   27.246 -12.99725 38.93056 
1 1 1    7   -2   12 o  100.721   8.4545  127.680   21.068  153.767   29.562  100.758   30.032  110.355   10.869   88.636   14.036 21.71843 17.75182 
1 1 1    7   -2   13 o  404.277   13.710  2046.05  138.412  2133.91  195.591  1957.92  195.898  412.369   18.994  394.400   19.955 17.96964 27.54960 
1 1 1    7   -2   14 o  235.535   9.6454  693.642   56.732  638.551   79.679  750.286   80.794  225.360   14.232  244.453   13.285 -19.09319 19.46890 
1 1 1    7   -2   15 o  269.264   10.272  906.846   69.067  885.148   97.135  929.033   98.226  265.377   14.715  271.920   14.518 -6.542175 20.67150 
1 1 1    7   -2   16 o  482.971   22.218  2939.62  267.970  2881.08  377.884  2998.84  380.058  474.756   32.062  484.567   31.581 -9.810944 45.00367 
1 1 1    7   -2   17 o  194.826   9.3834  474.853   45.652  491.236   63.221  457.002   65.991  197.573   12.884  190.398   13.977 7.174942 19.00970 
1 1 1    7   -2   18 o  201.482   9.9219  508.165   49.921  595.238   69.396  414.783   71.866  217.501   12.834  180.958   16.071 36.54277 20.56630 
1 1 1    7   -2   19 o  166.791   8.4479  348.996   35.071  314.827   47.362  390.478   52.185  157.980   12.097  176.059   11.940 -18.07883 16.99744 
1 1 1    7   -2   20 o  172.187   8.4826  371.150   36.474  344.605   49.244  403.411   54.288  165.270   12.014  178.853   12.228 -13.58353 17.14255 
1 1 1    7   -2   21 o  233.173   9.6510  681.518   56.196  670.167   77.322  694.225   81.813  230.408   13.498  234.417   14.041 -4.008942 19.47624 
1 1 1    7   -2   22 o  195.449   13.138  483.011   63.748  561.515   90.058  404.173   90.250  209.879   17.338  176.955   20.822 32.92461 27.09568 
1 1 1    7   -2   23 o  379.907   13.025  1818.10  123.572  1833.10  172.646  1802.34  176.947  379.883   18.199  376.458   18.822 3.424591 26.18210 
1 1 1    7   -2   24 o  136.006   9.2278  233.112   31.155  222.220   39.950  250.018   49.771  132.307   12.230  139.975   14.447 -7.668488 18.92831 
1 1 1    7   -2   25 o  305.460   13.097  1176.75   99.906  1182.65  121.930  1164.70  174.276  305.056   16.063  299.778   23.468 5.277710 28.43817 
1 1 1    7   -2   26 o  167.559   10.471  354.257   43.593  370.412   52.693  319.217   77.603  170.993   12.425  156.722   20.306 14.27116 23.80600 
1 1 1    7   -2   27 o  251.259   20.680  814.655  128.601  814.655  128.601   0.0000   0.0000  251.259   20.680  ?   ?  0.000000 20.67968 
1 1 1    7   -2   28 o  142.212   10.839  255.937   38.203  271.626   45.845  220.287   69.107  146.180   12.685  129.058   22.246 17.12230 25.60852 
1 1 1    7   -2   29 o   50.803   14.850   33.339   20.025   29.606   22.937   45.306   41.070   49.209   16.153   62.153   21.610 -12.94473 26.97968 
1 1 1    7   -2   30 o  158.414   11.068  317.744   43.510  357.931   52.623  230.903   77.358  167.837   12.649  131.159   24.520 36.67802 27.59025 
1 1 1    7   -2   31 o  172.547   11.204  377.212   48.015  459.755   58.451  205.929   84.199  190.276   12.369  122.184   28.172 68.09219 30.76761 
1 1 1    7   -2   32 o  165.766   14.189  352.258   58.169  368.032   83.509  337.392   81.071  167.215   20.423  159.862   20.801 7.353241 29.15110 
1 1 1    7   -2   33 o   46.299   16.013   25.214   22.538   35.604   26.134  -4.9398   44.521   53.124   17.232   46.582   20.319 6.541405 26.64223 
1 1 1    7   -2   34 o  144.376   12.177  267.517   43.493  368.079   52.808   55.454   76.686  169.362   12.576   73.377   28.753 95.98538 31.38339 
1 1 1    7   -2   35 o  100.536   13.343  132.109   32.670  156.986   39.399   77.354   58.451  109.197   14.832   75.702   25.803 33.49437 29.76214 
1 1 1    7   -2   36 o   85.299   21.225  102.837   45.028  102.837   45.028   0.0000   0.0000   85.299   21.225  ?   ?  0.000000 21.22480 
1 1 1    7   -2   37 o   39.797   16.045   11.320   24.555   28.304   29.215 -29.5471   45.318   49.422   18.107   40.620   18.817 8.801826 26.11380 
1 1 1    7   -2   38 o  109.547   13.450  159.110   36.021  161.181   43.535  154.615   64.141  108.707   16.560  101.010   25.442 7.696617 30.35702 
1 1 1    7   -2   39 o   50.503   18.219   31.614   29.414   72.417   35.266 -61.6593   53.319   70.947   19.364   39.146   18.796 31.80097 26.98641 
1 1 1    7   -2   40 o   31.414   15.270 -57.1702   37.975   19.639   58.941 -111.6835   49.655   55.414   23.771   31.651   15.767 23.76318 28.52466 
1 1 1    7   -2   41 o   56.418   19.581   44.669   33.711   37.802   41.063   58.866   59.040   54.910   21.172   64.639   25.257 -9.729225 32.95736 
1 1 1    7   -1    0 o   95.548   7.9451  114.989   18.785  102.713   26.508  127.373   26.625   89.695   12.147  100.251   10.806 -10.55589 16.25798 
1 1 1    7   -1    1 o  220.734   9.3518  609.933   51.548  588.866   72.859  631.047   72.941  216.161   13.566  223.866   13.105 -7.704453 18.86218 
1 1 1    7   -1    2 o  168.856   8.4990  357.645   35.723  345.368   50.541  369.901   50.498  165.501   12.317  171.366   11.874 -5.865402 17.10849 
1 1 1    7   -1    3 f  264.605   10.280  876.784   67.926  880.715   96.107  872.860   96.017  264.406   14.612  263.212   14.666 1.194550 20.70321 
1 1 1    7   -1    4 o  272.008   10.397  926.386   70.623  915.759   99.870  937.016   99.883  269.645   14.889  272.793   14.717 -3.147644 20.93513 
1 1 1    7   -1    5 o  466.280   15.236  2729.32  177.401  2730.14  250.917  2728.50  250.850  465.088   21.604  464.949   21.605 0.1398315 30.55387 
1 1 1    7   -1    6 o  466.590   15.257  2731.14  177.768  2727.14  251.431  2735.13  251.373  465.140   21.646  465.829   21.609 -0.6890259 30.58643 
1 1 1    7   -1    7 o  425.081   14.124  2264.03  149.926  2280.69  212.100  2247.38  211.956  425.906   19.942  422.764   20.077 3.141724 28.29805 
1 1 1    7   -1    8 o  300.144   11.043  1126.96   82.768  1157.62  117.184  1096.44  116.920  303.525   15.512  295.324   15.913 8.200470 22.22266 
1 1 1    7   -1    9 o  743.750   22.898  6958.92  425.275  7015.60  601.557  6902.29  601.303  743.992   32.379  737.872   32.633 6.119385 45.97072 
1 1 1    7   -1   10 o  379.590   18.468  1807.42  175.055   0.0000   0.0000  1807.42  175.055  ?   ?   379.590   18.468 0.000000 18.46756 
1 1 1    7   -1   11 o  233.906   19.724  691.443  114.132  691.443  114.132   0.0000   0.0000  233.906   19.724  ?   ?  0.000000 19.72353 
1 1 1    7   -1   12 o  342.688   12.130  1469.11  103.802  1458.00  146.723  1480.25  146.874  340.615   17.307  343.657   17.115 -3.041779 24.33997 
1 1 1    7   -1   13 o  821.594   25.060  8499.14  514.151  8283.34  726.775  8715.35  727.464  807.505   36.042  828.639   35.156 -21.13391 50.34797 
1 1 1    7   -1   14 o  358.894   12.459  1611.75  111.664  1556.74  157.630  1667.17  158.206  351.846   18.001  364.637   17.374 -12.79099 25.01806 
1 1 1    7   -1   15 o  697.349   21.381  6113.90  372.333  5878.29  526.069  6350.39  527.050  681.226   30.924  708.417   29.793 -27.19104 42.94103 
1 1 1    7   -1   16 o  204.495   9.1211  522.871   46.578  522.345   65.108  523.423   66.661  203.849   12.856  204.028   13.154 -0.1784058 18.39303 
1 1 1    7   -1   17 o  122.005   8.5649  187.036   25.929  189.289   35.025  184.305   38.570  122.421   11.595  120.601   13.013 1.820923 17.42971 
1 1 1    7   -1   18 o  161.083   14.201  327.973   56.538  456.692   76.931  176.806   83.370  189.974   16.377  115.660   28.937 74.31384 33.24955 
1 1 1    7   -1   19 o  406.102   13.624  2069.52  138.166  2116.44  194.626  2021.86  196.175  409.706   19.023  400.322   19.624 9.384003 27.33069 
1 1 1    7   -1   20 o  223.708   9.5421  626.679   53.306  618.720   73.617  635.452   77.290  221.577   13.367  224.488   13.855 -2.910614 19.25207 
1 1 1    7   -1   21 o  130.788   9.1265  215.282   29.621  227.155   39.316  199.695   45.046  134.008   11.871  125.120   14.697 8.887947 18.89272 
1 1 1    7   -1   22 o  199.932   9.3339  500.988   46.601  511.320   63.437  488.877   68.682  201.270   12.687  196.535   14.088 4.735153 18.95827 
1 1 1    7   -1   23 o  245.998   11.895  760.799   73.074  795.430  122.009  741.427   91.251  249.302   19.760  241.865   15.185 7.436584 24.92091 
1 1 1    7   -1   24 o  199.391   10.647  500.767   52.822  513.096   64.140  474.781   93.120  201.448   12.817  192.104   19.690 9.344360 23.49364 
1 1 1    7   -1   25 o  133.850   10.238  226.299   33.959  290.501   43.591  127.173   54.165  151.528   11.608   97.657   22.650 53.87126 25.45153 
1 1 1    7   -1   26 o  144.627   10.085  263.980   36.197  288.226   43.610  210.284   64.898  150.893   11.664  126.509   21.299 24.38342 24.28406 
1 1 1    7   -1   27 f  199.788   11.180  503.706   55.556  570.969   67.637  364.212   97.403  212.409   12.811  166.322   24.158 46.08727 27.34509 
1 1 1    7   -1   28 o  224.877   19.590  651.257  108.913  651.257  108.913   0.0000   0.0000  224.877   19.590  ?   ?  0.000000 19.59039 
1 1 1    7   -1   29 o   94.453   11.847  114.141   27.327  123.792   32.068   88.545   52.223   98.104   13.444   81.815   23.999 16.28883 27.50790 
1 1 1    7   -1   30 o   60.654   14.470   48.454   21.610   51.427   25.076   39.875   42.600   62.438   16.008   60.449   21.908 1.989441 27.13283 
1 1 1    7   -1   31 o   63.986   14.454   53.954   22.551   43.726   26.118   83.914   44.700   57.978   16.962   79.270   21.869 -21.29170 27.67629 
1 1 1    7   -1   32 o   63.744   15.152   53.775   23.764   58.889   27.896   40.247   45.371   66.588   16.782   61.241   22.546 5.347729 28.10602 
1 1 1    7   -1   33 o   90.549   17.994  109.191   39.253   92.826   59.098  122.110   52.509   83.101   25.787   94.662   22.537 -11.56097 34.24738 
1 1 1    7   -1   34 o  147.644   13.577  280.592   49.496  280.592   49.496   0.0000   0.0000  147.644   13.577  ?   ?  0.000000 13.57670 
1 1 1    7   -1   35 o  112.430   12.246  163.154   33.825  181.583   40.649  121.665   60.990  118.093   14.060   92.659   25.538 25.43401 29.15277 
1 1 1    7   -1   36 o   92.433   13.968  112.641   31.235  132.198   37.673   69.630   55.869   99.661   15.654   72.447   25.203 27.21358 29.66893 
1 1 1    7   -1   37 o   61.242   21.478   48.190   40.612   48.190   40.612   0.0000   0.0000   61.242   21.478  ?   ?  0.000000 21.47806 
1 1 1    7   -1   38 o   47.657   17.255   26.686   26.418   35.817   31.285   3.9927   49.319   53.444   18.842   49.666   21.526 3.778805 28.60798 
1 1 1    7   -1   39 o   57.982   18.159   46.181   29.232   62.406   35.403   11.426   51.817   66.354   19.835   52.125   22.322 14.22900 29.86161 
1 1 1    7   -1   40 o  130.417   13.403  226.212   43.029  276.981   53.104  129.152   73.425  143.323   15.063   89.006   28.885 54.31692 32.57695 
1 1 1    7   -1   41 o   37.528   16.699  -5.4329   31.499 -17.8941   39.146   17.452   53.050   38.802   17.798   52.888   22.616 -14.08578 28.77943 
1 1 1    7    0    0 o  141.653   8.1013  251.846   28.538  252.482   40.340  251.208   40.378  141.457   11.520  141.092   11.562 0.3642883 16.32121 
1 1 1    7    0    1 o  371.038   12.798  1727.38  118.578  1710.70  167.679  1744.06  167.710  368.317   18.231  371.925   18.057 -3.607941 25.65986 
1 1 1    7    0    2 o  155.352   8.2708  302.805   31.970  317.573   45.233  288.062   45.193  158.760   11.487  151.087   12.079 7.673981 16.66912 
1 1 1    7    0    3 o  241.686   9.6719  731.312   58.373  761.465   82.664  701.321   82.441  245.937   13.512  235.912   14.058 10.02481 19.49847 
1 1 1    7    0    4 o  417.277   13.871  2185.66  144.534  2196.97  204.467  2174.37  204.336  417.246   19.624  415.074   19.714 2.171600 27.81583 
1 1 1    7    0    5 o  194.704   8.6979  474.251   42.290  472.107   59.876  476.385   59.740  193.673   12.446  194.562   12.360 -0.8897247 17.54064 
1 1 1    7    0    6 o  333.664   11.866  1394.50   98.871  1380.30  139.831  1408.70  139.818  330.986   16.975  334.835   16.722 -3.849365 23.82782 
1 1 1    7    0    7 o  372.685   12.801  1739.81  119.132  1754.07  168.562  1725.58  168.395  373.614   18.067  370.549   18.198 3.064758 25.64363 
1 1 1    7    0    8 o  345.988   12.044  1498.35  104.057  1533.99  147.309  1462.85  147.009  349.666   16.870  340.985   17.322 8.681854 24.17949 
1 1 1    7    0    9 o  714.750   22.037  6425.68  393.337  6665.91  556.613  6186.06  555.913  725.487   30.724  698.512   31.870 26.97455 44.26784 
1 1 1    7    0   10 o  241.571   9.6831  729.595   58.413  715.132   82.644  744.033   82.572  238.594   13.931  243.414   13.639 -4.819839 19.49651 
1 1 1    7    0   11 o  282.519   10.792  998.130   76.139  963.910  107.662  1032.37  107.691  276.962   15.630  286.717   15.094 -9.755524 21.72880 
1 1 1    7    0   12 o  805.972   24.525  8174.17  493.602  7884.96  697.735  8463.93  698.381  788.261   35.446  817.134   34.225 -28.87225 49.27284 
1 1 1    7    0   13 o  665.084   29.467  5585.55  489.403  5509.55  691.928  5661.63  692.312  655.314   42.512  664.572   41.932 -9.258118 59.71209 
1 1 1    7    0   14 o  615.924   18.922  4759.49  291.033  4645.41  411.279  4873.91  411.888  606.964   27.135  621.848   26.524 -14.88403 37.94504 
1 1 1    7    0   15 o  612.838   19.179  4713.90  293.511  4587.77  414.767  4840.43  415.409  602.916   27.548  619.461   26.854 -16.54474 38.47152 
1 1 1    7    0   16 o  659.221   20.460  5461.36  336.814  5263.89  475.846  5659.63  476.810  644.934   29.546  669.038   28.539 -24.10413 41.07877 
1 1 1    7    0   17 o  379.257   13.148  1801.39  124.517  1870.29  175.722  1731.90  176.468  385.902   18.235  370.759   19.125 15.14267 26.42494 
1 1 1    7    0   18 o  563.576   18.014  3992.23  253.518  4191.95  358.308  3792.02  358.751  575.758   24.921  547.226   26.253 28.53229 36.19761 
1 1 1    7    0   19 o  475.893   22.285  2861.67  264.838  2929.17  373.136  2793.15  375.955  477.715   31.455  466.014   32.510 11.70132 45.23584 
1 1 1    7    0   20 o  186.509   13.020  438.529   60.259  444.427   80.994  431.217   90.183  187.043   17.546  183.750   19.976 3.293640 26.58712 
1 1 1    7    0   21 o  110.706   9.2508  154.530   25.340  167.328   33.241  136.775   39.152  114.905   11.750  103.088   15.705 11.81705 19.61400 
1 1 1    7    0   22 o  291.616   11.066  1066.94   80.584  1119.63  112.329  1011.07  115.670  297.727   15.159  282.590   16.463 15.13690 22.37868 
1 1 1    7    0   23 o  150.003   9.1628  283.049   34.158  308.218   45.255  249.726   52.072  156.206   11.686  139.909   15.146 16.29684 19.13038 
1 1 1    7    0   24 o  161.501   9.1005  328.032   36.552  336.867   48.419  316.324   55.735  163.246   11.961  157.739   14.305 5.507385 18.64651 
1 1 1    7    0   25 o  299.325   16.018  1137.04  119.295  1084.09  168.210  1190.63  169.212  289.584   23.463  303.989   22.449 -14.40512 32.47259 
1 1 1    7    0   26 o  387.993   15.457  1904.81  149.765  2143.48  183.529  1429.11  259.102  410.659   17.897  327.700   32.074 82.95944 36.72879 
1 1 1    7    0   27 o  278.487   12.556  977.285   87.321  973.248  106.480  985.574  152.591  276.846   15.464  276.133   22.320 0.7124023 27.15331 
1 1 1    7    0   28 o   77.384   13.834   77.847   25.752   77.847   25.752   0.0000   0.0000   77.384   13.834  ?   ?  0.000000 13.83395 
1 1 1    7    0   29 o  239.939   11.852  725.225   71.015  804.673   86.669  562.906  123.882  251.975   13.827  207.189   24.412 44.78574 28.05586 
1 1 1    7    0   30 o  127.614   17.480  211.090   54.240  211.090   54.240   0.0000   0.0000  127.614   17.480  ?   ?  0.000000 17.47987 
1 1 1    7    0   31 o  206.928   11.413  541.222   58.748  675.555   71.775  268.569  102.256  230.991   12.490  139.815   30.173 91.17604 32.65547 
1 1 1    7    0   32 o  149.542   11.050  283.417   40.973  323.781   49.723  198.025   72.321  159.557   12.581  121.057   24.758 38.49941 27.77180 
1 1 1    7    0   33 o   54.199   21.459   22.675   43.121   0.0000   0.0000   22.675   43.121  ?   ?    54.199   21.459 0.000000 21.45913 
1 1 1    7    0   34 o  150.149   11.359  287.024   42.277  387.058   51.332   76.080   74.541  174.344   11.861   79.564   28.957 94.77940 31.29237 
1 1 1    7    0   35 o  114.599   15.751  172.163   43.884  209.508   63.886  138.801   60.384  124.396   21.334   99.723   24.438 24.67306 32.44035 
1 1 1    7    0   36 o  100.604   12.901  131.663   31.664  147.945   38.369   96.897   56.066  106.066   14.897   83.095   24.989 22.97112 29.09252 
1 1 1    7    0   37 o  110.667   12.634  159.437   34.289  194.264   41.967   89.501   59.470  121.728   14.065   79.617   26.004 42.11153 29.56372 
1 1 1    7    0   38 o   68.112   16.781   63.843   28.357   74.428   34.167   40.415   50.832   73.054   18.661   60.756   23.520 12.29748 30.02408 
1 1 1    7    0   39 o  161.150   21.135  364.639   83.001  364.639   83.001   0.0000   0.0000  161.150   21.135  ?   ?  0.000000 21.13483 
1 1 1    7    0   40 o   64.147   18.741   58.028   31.902   86.564   38.751  -1.9895   56.198   77.597   19.902   50.666   22.436 26.93082 29.99099 
1 1 1    7    0   41 o   83.026   18.010   97.961   36.267  144.899   44.748   8.1104   61.911  101.215   18.381   54.226   23.798 46.98859 30.07041 
1 1 1    7    0   42 f   78.581   19.029   90.458   36.943   93.747   46.052   84.521   61.874   78.097   22.431   73.358   26.430 4.739571 34.66524 
1 1 1    7    1    0 o  109.399   11.188  151.544   30.135  143.344   42.518  159.821   42.716  105.446   16.704  111.646   15.759 -6.200439 22.96464 
1 1 1    7    1    1 o  236.989   13.758  707.581   81.070  674.153  114.455  741.237  114.846  230.123   20.119  241.581   19.195 -11.45810 27.80734 
1 1 1    7    1    2 o  602.349   27.237  4631.08  409.695  4551.91  579.216  4710.35  579.577  588.934   39.615  599.639   38.916 -10.70502 55.53152 
1 1 1    7    1    3 o  762.470   34.100  7509.53  649.267  7592.16  918.298  7426.92  918.106  751.978   49.173  743.096   49.764 8.881409 69.96009 
1 1 1    7    1    4 o  505.062   23.254  3234.47  293.293  3334.12  414.926  3134.96  414.632  507.957   32.887  491.943   33.960 16.01407 47.27423 
1 1 1    7    1    5 o  492.598   22.772  3072.53  280.115  3081.62  396.079  3063.43  396.207  488.763   32.639  487.259   32.752 1.504059 46.23872 
1 1 1    7    1    6 o  467.120   15.235  2740.09  177.712  2749.47  251.382  2730.71  251.263  466.581   21.575  464.971   21.640 1.610352 30.55762 
1 1 1    7    1    7 o  551.692   17.568  3825.52  242.026  3803.66  342.280  3847.38  342.273  548.261   25.000  551.445   24.855 -3.183899 35.25334 
1 1 1    7    1    8 o  152.319   8.2297  290.897   31.187  309.178   44.281  272.904   43.932  156.760   11.390  147.153   12.061 9.607697 16.58910 
1 1 1    7    1    9 o  219.163   13.083  603.510   71.273   0.0000   0.0000  603.510   71.273  ?   ?   219.163   13.083 0.000000 13.08261 
1 1 1    7    1   10 o  530.904   23.895  3548.64  316.792  3548.64  316.792   0.0000   0.0000  530.904   23.895  ?   ?  0.000000 23.89503 
1 1 1    7    1   11 o  457.926   14.955  2626.21  171.016  2581.34  241.871  2671.06  241.834  453.282   21.368  461.141   21.001 -7.858643 29.96031 
1 1 1    7    1   12 o  390.706   13.342  1910.42  130.176  1850.47  184.077  1970.40  184.117  384.051   19.194  396.359   18.602 -12.30768 26.72878 
1 1 1    7    1   13 o  579.041   18.305  4204.44  264.691  4301.66  374.461  4107.35  374.198  584.489   25.655  571.025   26.242 13.46393 36.69938 
1 1 1    7    1   14 o  772.900   23.450  7512.35  452.605  7149.50  639.650  7876.18  640.511  751.022   34.107  788.803   32.517 -37.78113 47.12328 
1 1 1    7    1   15 o  241.932   14.003  735.196   84.237  741.460  118.949  728.894  119.310  242.243   19.837  240.130   20.081 2.112366 28.22702 
1 1 1    7    1   16 o  497.688   15.953  3104.15  198.272  2976.89  280.016  3232.12  280.784  486.402   23.053  506.970   22.179 -20.56812 31.99012 
1 1 1    7    1   17 o  320.578   11.776  1286.06   94.268  1411.16  133.068  1160.03  133.564  335.501   15.883  303.530   17.698 31.97089 23.77995 
1 1 1    7    1   18 o  358.294   12.695  1607.69  113.584  1774.23  160.237  1439.50  161.031  375.941   17.068  337.857   19.165 38.08414 25.66404 
1 1 1    7    1   19 o  540.393   17.061  3669.38  230.234  3593.07  324.996  3746.26  326.208  532.982   24.418  544.345   23.998 -11.36249 34.23654 
1 1 1    7    1   20 o  430.043   14.070  2320.87  151.101  2303.12  212.872  2338.90  214.516  427.303   19.949  430.610   19.949 -3.306305 28.21260 
1 1 1    7    1   21 o  157.363   12.354  312.509   48.155  300.287   62.719  330.060   75.159  153.563   16.621  160.603   19.116 -7.040283 25.33110 
1 1 1    7    1   22 o  440.253   14.690  2438.78  161.506  2451.80  227.383  2425.52  229.438  439.764   20.706  437.302   21.010 2.461609 29.49844 
1 1 1    7    1   23 o  437.112   14.484  2406.42  158.102  2417.66  222.294  2394.91  224.908  436.282   20.404  434.099   20.747 2.183289 29.09933 
1 1 1    7    1   24 o  151.467   9.1661  288.617   34.506  294.882   45.417  280.062   53.071  152.703   12.007  148.353   14.511 4.350677 18.83476 
1 1 1    7    1   25 o  205.690   9.7257  530.792   49.956  540.077   67.225  519.341   74.654  206.679   13.093  202.286   14.883 4.393097 19.82254 
1 1 1    7    1   26 o  142.977   9.7297  257.710   34.532  253.759   41.491  266.616   62.295  141.544   11.847  143.893   17.710 -2.349960 21.30756 
1 1 1    7    1   27 o  656.267   30.147  5652.85  494.058  5976.64  699.251  5330.08  698.158  657.770   42.804  617.060   45.632 40.70953 62.56512 
1 1 1    7    1   28 o  185.713   10.532  434.790   48.641  421.398   58.802  463.813   86.566  182.364   12.997  190.005   18.478 -7.640472 22.59155 
1 1 1    7    1   29 o  150.824   10.601  287.345   39.675  310.759   47.956  236.551   70.633  156.563   12.367  134.139   21.838 22.42363 25.09625 
1 1 1    7    1   30 f  352.802   14.594  1575.19  128.576  1684.73  157.413  1355.59  222.868  363.869   17.324  320.479   28.133 43.39008 33.03899 
1 1 1    7    1   31 o  231.268   20.112  690.773  114.997  690.773  114.997   0.0000   0.0000  231.268   20.112  ?   ?  0.000000 20.11248 
1 1 1    7    1   32 f  257.094   12.553  834.822   80.595  885.183   98.316  731.647  140.722  263.690   14.993  235.969   24.225 27.72055 28.48904 
1 1 1    7    1   33 o   81.452   14.057   86.471   27.558   97.866   32.110   54.606   53.695   86.456   15.439   68.842   24.641 17.61354 29.07816 
1 1 1    7    1   34 o   73.385   14.597   70.926   25.809   82.650   30.662   42.430   47.803   79.022   16.085   62.639   23.128 16.38304 28.17150 
1 1 1    7    1   35 o  229.517   11.910  670.364   68.030  752.302   83.343  506.770  117.763  242.396   13.826  193.282   24.984 49.11363 28.55409 
1 1 1    7    1   36 o  134.835   15.040  236.849   49.779  283.475   72.432  195.115   68.527  145.234   20.545  118.535   23.974 26.69891 31.57304 
1 1 1    7    1   37 o  117.789   12.047  179.225   34.936  211.526   42.370  110.624   61.746  127.539   13.509   87.921   26.176 39.61777 29.45607 
1 1 1    7    1   38 o   50.292   17.002   31.839   25.378   8.2375   30.136   89.381   47.056   41.961   17.440   79.323   22.639 -37.36243 28.57785 
1 1 1    7    1   39 o   98.576   14.336  129.333   34.255  146.148   41.658   94.223   60.195  103.865   16.622   80.300   26.159 23.56472 30.99288 
1 1 1    7    1   40 o   80.134   23.921   94.755   51.516   94.755   51.516   0.0000   0.0000   80.134   23.921  ?   ?  0.000000 23.92087 
1 1 1    7    1   41 o  120.592   14.083  194.238   41.610  227.370   50.776  126.500   72.601  129.374   16.062   88.898   28.710 40.47600 32.89782 
1 1 1    7    1   42 f  102.566   16.192  145.449   40.095  178.632   50.043   85.959   67.005  112.321   18.485   74.870   27.423 37.45063 33.07142 
1 1 1    7    1   43 o   47.992   19.171   23.282   34.699   13.948   43.461   39.690   57.625   48.262   20.550   59.293   24.328 -11.03093 31.84536 
1 1 1    7    2    0 o  218.242   13.204  599.968   71.622  558.963  101.112  641.262  101.467  209.503   19.553  224.787   18.233 -15.28384 26.73500 
1 1 1    7    2    1 o  427.452   20.203  2309.35  215.654  2192.95  304.705  2426.18  305.257  412.640   29.770  434.766   28.270 -22.12537 41.05438 
1 1 1    7    2    2 o  133.895   11.394  226.329   37.734  230.028   53.295  222.611   53.434  134.248   16.227  131.970   16.580 2.277802 23.19917 
1 1 1    7    2    3 o  614.679   27.757  4826.35  426.058  4771.71  602.404  4881.04  602.670  602.596   40.264  609.837   39.793 -7.241089 56.60964 
1 1 1    7    2    4 f  282.317   15.197  1004.75  106.744  1030.84  150.898  978.606  151.021  284.659   21.384  277.163   22.001 7.496338 30.68083 
1 1 1    7    2    5 o  566.937   25.758  4088.15  364.670  4092.34  515.681  4083.96  515.762  560.692   37.039  560.088   37.086 0.6049805 52.41413 
1 1 1    7    2    6 o  500.529   23.061  3171.31  288.237  3214.39  407.666  3128.26  407.593  499.432   32.871  492.448   33.341 6.983978 46.82027 
1 1 1    7    2    7 o  291.932   15.488  1072.99  112.504  1068.46  159.127  1077.52  159.083  290.067   22.135  291.327   22.030 -1.260132 31.22968 
1 1 1    7    2    8 o  336.999   24.290  1441.90  203.042   0.0000   0.0000  1441.90  203.042  ?   ?   336.999   24.290 0.000000 24.29008 
1 1 1    7    2    9 o  313.478   16.225  1235.76  126.577  1235.76  126.577   0.0000   0.0000  313.478   16.225  ?   ?  0.000000 16.22509 
1 1 1    7    2   10 o  363.702   12.499  1655.56  113.521  1660.44  160.631  1650.69  160.455  363.805   17.681  362.732   17.714 1.072815 25.02819 
1 1 1    7    2   11 o  231.313   9.5980  668.929   55.441  643.642   78.474  694.128   78.338  226.311   13.954  235.107   13.399 -8.796844 19.34501 
1 1 1    7    2   12 o  745.932   22.900  6995.31  426.565  7051.19  603.364  6939.47  603.143  746.355   32.373  740.340   32.624 6.015076 45.96024 
1 1 1    7    2   13 o  362.705   12.626  1645.94  114.358  1661.94  161.795  1629.98  161.659  364.096   17.795  360.565   17.954 3.531036 25.27877 
1 1 1    7    2   14 o  348.193   12.334  1516.73  107.244  1499.31  151.648  1534.15  151.683  345.391   17.641  349.853   17.362 -4.462006 24.75170 
1 1 1    7    2   15 o  498.971   16.054  3119.20  200.041  3090.16  282.727  3148.31  283.074  495.785   22.836  500.456   22.651 -4.670471 32.16443 
1 1 1    7    2   16 o  870.735   26.524  9559.19  576.737  9245.50  815.187  9873.56  816.071  851.853   38.321  880.865   37.099 -29.01208 53.33767 
1 1 1    7    2   17 o  518.420   23.663  3384.18  306.334  3379.31  433.103  3389.05  433.341  514.724   33.884  515.480   33.852 -0.7557373 47.89713 
1 1 1    7    2   18 o  380.939   12.480  1816.72  118.715  1680.17  167.169  1955.64  168.617  365.323   18.383  394.776   17.104 -29.45251 25.10950 
1 1 1    7    2   19 o  461.544   15.175  2672.01  174.905  2684.04  246.867  2659.89  247.841  461.535   21.419  459.418   21.603 2.116455 30.42170 
1 1 1    7    2   20 o  209.273   9.9430  548.086   51.961  617.243   72.388  474.574   74.632  221.507   13.145  193.797   15.552 27.71005 20.36375 
1 1 1    7    2   21 f  430.171   14.509  2323.92  155.854  2365.50  219.673  2281.78  221.157  432.800   20.325  424.948   20.841 7.851074 29.11115 
1 1 1    7    2   22 o  476.590   15.591  2858.55  185.550  2881.91  261.566  2834.88  263.257  476.686   21.973  472.669   22.303 4.017120 31.30939 
1 1 1    7    2   23 o  356.179   18.090  1607.77  160.369  1623.57  223.380  1590.97  230.373  355.434   25.333  351.382   26.448 4.052277 36.62346 
1 1 1    7    2   24 o  173.400   9.3229  377.922   40.221  375.547   54.057  380.868   60.200  172.376   12.646  173.359   14.026 -0.9830933 18.88556 
1 1 1    7    2   25 o  153.669   9.2940  297.141   35.497  313.121   46.579  275.004   54.823  157.377   11.941  146.842   15.169 10.53548 19.30551 
1 1 1    7    2   26 o  158.720   10.023  317.411   39.521  318.333   47.839  315.429   70.134  158.614   12.171  156.597   18.279 2.016846 21.95998 
1 1 1    7    2   27 o  458.365   17.628  2667.45  201.777  2650.40  246.855  2701.78  350.258  454.946   21.729  452.494   31.188 2.452301 38.01068 
1 1 1    7    2   28 o  195.628   13.273  484.744   64.457  425.405   90.644  545.442   91.676  181.415   20.360  206.396   17.966 -24.98117 27.15354 
1 1 1    7    2   29 o  274.608   12.220  949.778   83.799  948.962  102.244  951.446  146.264  273.489   15.028  271.518   21.755 1.971405 26.44084 
1 1 1    7    2   30 o  168.463   10.296  357.942   43.105  358.450   52.126  356.842   76.660  168.185   12.501  166.286   18.791 1.899033 22.56913 
1 1 1    7    2   31 o  188.350   10.989  447.872   51.464  477.811   62.557  385.183   90.522  194.152   12.978  171.866   21.567 22.28642 25.17033 
1 1 1    7    2   32 o  130.720   20.310  224.098   64.146   0.0000   0.0000  224.098   64.146  ?   ?   130.720   20.310 0.000000 20.30993 
1 1 1    7    2   33 o  130.121   18.173  220.539   57.440  220.539   57.440   0.0000   0.0000  130.121   18.173  ?   ?  0.000000 18.17342 
1 1 1    7    2   34 o  107.464   11.788  147.625   31.115  167.770   37.223  100.900   56.688  114.305   13.288   86.449   24.903 27.85619 28.22651 
1 1 1    7    2   35 o  122.275   11.555  190.891   34.865  212.684   42.092  143.260   62.228  128.685   13.290  102.007   24.694 26.67827 28.04294 
1 1 1    7    2   36 o  104.560   12.535  141.067   32.077  163.012   38.815   93.795   56.969  112.027   14.193   82.756   25.257 29.27022 28.97201 
1 1 1    7    2   37 o   41.699   16.015   15.920   23.428   7.3336   27.933   36.289   43.021   40.668   16.837   58.115   21.845 -17.44779 27.58037 
1 1 1    7    2   38 o  120.511   15.772  192.288   46.324  272.023   67.929  122.969   63.337  141.581   19.751   92.055   26.263 49.52586 32.86082 
1 1 1    7    2   39 o  110.567   13.046  160.086   35.327  205.767   43.167   67.446   61.473  125.084   14.064   71.825   26.273 53.25867 29.80040 
1 1 1    7    2   40 o   79.963   16.368   87.560   31.583  109.315   38.989   46.042   53.863   88.771   18.199   63.028   24.264 25.74353 30.33054 
1 1 1    7    2   41 o   82.039   17.153   93.423   34.011   97.741   42.106   85.317   57.690   82.436   20.531   76.177   25.636 6.259666 32.84411 
1 1 1    7    2   42 f   46.277   20.705  -7.6016   49.143  -7.6016   49.143   0.0000   0.0000   46.277   20.705  ?   ?  0.000000 20.70483 
1 1 1    7    2   43 o   49.623   19.407   26.581   34.882   58.594   44.063 -27.1590   57.091   63.885   22.374   45.484   21.088 18.40044 30.74529 
1 1 1    7    3    0 o  272.979   14.388  938.795   97.735  756.610  137.641  1124.07  138.804  243.212   22.933  297.895   18.755 -54.68259 29.62571 
1 1 1    7    3    1 o  344.544   17.205  1495.45  148.031  1568.05  209.429  1422.97  209.267  350.545   24.070  333.474   25.319 17.07150 34.93450 
1 1 1    7    3    2 o  392.775   13.289  1936.48  130.347  1946.53  184.377  1926.44  184.300  392.753   18.799  390.701   18.890 2.051819 26.65020 
1 1 1    7    3    3 o  393.186   13.278  1940.48  130.372  1916.62  184.349  1964.37  184.398  389.699   18.943  394.574   18.714 -4.874969 26.62866 
1 1 1    7    3    4 o  399.987   13.523  2008.43  135.078  1995.28  191.021  2021.59  191.037  397.581   19.240  400.222   19.115 -2.641022 27.12103 
1 1 1    7    3    5 o  723.341   22.525  6627.47  406.873  6608.29  575.389  6646.65  575.422  717.016   32.135  719.155   32.042 -2.138184 45.37991 
1 1 1    7    3    6 o  344.087   12.088  1484.09  103.869  1508.88  146.954  1459.35  146.832  346.287   16.994  340.070   17.348 6.216614 24.28465 
1 1 1    7    3    7 o  223.857   9.3931  627.033   52.509  615.964   74.288  638.085   74.229  221.212   13.513  225.197   13.258 -3.984543 18.93073 
1 1 1    7    3    8 f  740.843   22.826  6928.09  422.284  7233.42  597.625  6623.62  596.775  753.169   31.775  720.041   33.190 33.12823 45.94787 
1 1 1    7    3    9 o  154.001   11.748  298.579   44.837  314.789   63.392  282.353   63.425  157.564   16.349  148.977   17.375 8.587204 23.85762 
1 1 1    7    3   10 o  654.087   28.972  5412.58  473.215  5649.53  669.632  5176.21  668.824  662.926   40.646  633.588   42.519 29.33783 58.82139 
1 1 1    7    3   11 o  189.245   12.433  450.083   58.428  439.212   82.707  460.914   82.553  186.264   18.006  190.919   17.510 -4.655365 25.11623 
1 1 1    7    3   12 o  185.544   8.6905  430.284   40.266  449.839   57.049  410.871   56.842  189.236   12.136  180.766   12.672 8.469238 17.54656 
1 1 1    7    3   13 o  356.721   12.120  1591.83  107.962  1693.75  152.892  1490.48  152.471  367.655   16.653  344.348   17.792 23.30640 24.36957 
1 1 1    7    3   14 o  648.204   20.196  5273.39  326.913  5112.97  462.151  5434.05  462.497  636.511   29.076  656.395   28.216 -19.88440 40.51572 
1 1 1    7    3   15 f  319.487   11.008  1276.46   87.823  1434.28  124.404  1119.66  123.998  338.455   14.719  298.457   16.704 39.99829 22.26407 
1 1 1    7    3   16 o  713.837   22.058  6403.96  393.199  6607.43  556.233  6200.73  555.903  722.858   30.814  699.970   31.803 22.88763 44.28274 
1 1 1    7    3   17 o  317.362   11.443  1259.94   90.687  1385.64  128.125  1133.75  128.377  332.561   15.428  300.210   17.196 32.35092 23.10249 
1 1 1    7    3   18 o   71.904   13.241   66.780   22.899   62.205   31.679   71.785   33.138   69.150   18.125   74.163   18.061 -5.012260 25.58770 
1 1 1    7    3   19 o  264.518   14.644  879.748   96.357  817.134  135.954  942.945  136.587  253.826   21.656  273.058   20.174 -19.23264 29.59682 
1 1 1    7    3   20 o  601.932   19.004  4559.19  285.652  4754.14  403.775  4363.86  404.172  612.467   26.400  586.386   27.601 26.08179 38.19431 
1 1 1    7    3   21 o  177.271   9.6032  394.434   42.353  441.482   58.487  342.564   61.411  187.245   12.581  164.479   15.121 22.76579 19.67069 
1 1 1    7    3   22 o  251.835   10.091  794.282   63.458  771.669   88.297  818.440   91.262  247.432   14.352  254.836   14.400 -7.404388 20.33071 
1 1 1    7    3   23 o  130.052   8.5927  212.648   27.749  187.938   36.366  247.088   42.932  121.779   12.119  139.751   12.432 -17.97224 17.36175 
1 1 1    7    3   24 o  415.101   19.546  2184.89  202.610  2076.66  282.641  2299.29  290.592  400.370   28.455  421.744   27.747 -21.37466 39.74398 
1 1 1    7    3   25 o  265.214   14.457  889.163   95.387  797.639  127.453  1005.70  143.819  249.535   20.639  280.365   20.688 -30.83023 29.22259 
1 1 1    7    3   26 o  143.311   9.7245  258.805   34.596  271.119   41.768  231.897   61.744  146.434   11.515  133.834   19.009 12.60025 22.22460 
1 1 1    7    3   27 o  349.471   14.394  1541.41  125.611  1594.54  153.639  1434.30  218.142  354.584   17.351  331.935   26.539 22.64877 31.70771 
1 1 1    7    3   28 o  304.083   13.182  1165.51  100.100  1209.86  122.350  1075.70  174.085  308.757   15.923  287.918   24.444 20.83987 29.17238 
1 1 1    7    3   29 o  161.381   10.219  328.393   40.970  352.903   49.663  276.169   72.492  167.021   11.987  145.679   20.494 21.34192 23.74185 
1 1 1    7    3   30 o  218.663   13.943  606.166   75.735  612.108  107.191  600.242  107.021  218.049   19.905  215.850   20.085 2.198807 28.27786 
1 1 1    7    3   31 o  281.989   12.467  1002.36   87.791  989.664  107.142  1028.30  153.149  279.088   15.433  282.062   21.915 -2.973633 26.80398 
1 1 1    7    3   32 o   64.490   14.601   54.700   22.966   61.967   27.093   36.146   43.291   68.527   16.105   59.349   21.990 9.177830 27.25679 
1 1 1    7    3   33 o   86.851   12.661   97.178   26.652  124.932   31.620   29.081   49.529   98.585   13.173   59.171   23.130 39.41408 26.61811 
1 1 1    7    3   34 f  167.375   18.585  363.445   76.367  363.445   76.367   0.0000   0.0000  167.375   18.585  ?   ?  0.000000 18.58492 
1 1 1    7    3   35 o  107.818   12.182  148.957   32.223  154.028   38.251  136.561   59.802  109.126   14.387   99.975   24.211 9.150307 28.16332 
1 1 1    7    3   36 o  108.861   12.036  152.125   32.172  157.538   38.807  140.227   57.534  110.159   14.456  101.084   23.274 9.074333 27.39794 
1 1 1    7    3   37 o  113.135   12.067  164.715   33.564  184.600   40.660  122.183   59.466  119.284   13.911   93.342   25.008 25.94251 28.61653 
1 1 1    7    3   38 o   65.508   16.353   58.042   26.667   42.667   32.080   92.430   47.975   57.663   19.111   81.312   22.739 -23.64919 29.70363 
1 1 1    7    3   39 o  155.795   14.760  318.327   56.740  378.052   82.800  265.451   77.908  166.508   20.336  137.222   23.586 29.28580 31.14219 
1 1 1    7    3   40 o   46.123   17.364   22.481   27.203   37.282   33.375  -6.8125   46.953   54.874   19.449   46.311   20.507 8.563046 28.26346 
1 1 1    7    3   41 o   50.863   18.212   31.455   29.334   38.880   36.110   17.048   50.302   55.982   20.188   53.364   22.383 2.617973 30.14235 
1 1 1    7    3   42 o   62.931   19.109   55.608   32.669   79.411   41.343   16.040   53.304   73.970   21.255   53.737   22.816 20.23298 31.18270 
1 1 1    7    3   43 o   76.541   27.145   90.130   65.024   90.130   65.024   0.0000   0.0000   76.541   27.145  ?   ?  0.000000 27.14548 
1 1 1    7    4    0 o  141.857   10.829  253.607   38.072  404.638   54.286  107.420   53.409  179.206   12.203   90.336   23.465 88.87055 26.44854 
1 1 1    7    4    1 o  315.622   16.079  1256.74  126.313  1121.89  178.222  1392.84  179.047  296.170   24.312  330.936   21.788 -34.76569 32.64600 
1 1 1    7    4    2 o  426.796   14.145  2288.13  150.757  2235.55  213.159  2340.76  213.248  420.527   20.298  430.426   19.840 -9.899719 28.38367 
1 1 1    7    4    3 o  462.655   15.106  2690.93  174.526  2720.59  246.862  2661.29  246.772  463.634   21.322  458.486   21.554 5.147949 30.31802 
1 1 1    7    4    4 o  765.162   23.744  7432.18  453.689  7529.12  641.730  7335.31  641.497  763.845   33.643  753.625   34.087 10.21979 47.89347 
1 1 1    7    4    5 o  379.296   12.988  1804.97  123.021  1759.47  173.915  1850.52  174.042  373.535   18.645  383.169   18.189 -9.633972 26.04747 
1 1 1    7    4    6 o  289.840   10.659  1052.14   77.148  1011.59  109.033  1092.80  109.176  283.303   15.470  294.587   14.889 -11.28372 21.47146 
1 1 1    7    4    7 o  439.172   20.543  2433.44  225.293   0.0000   0.0000  2433.44  225.293  ?   ?   439.172   20.543 0.000000 20.54288 
1 1 1    7    4    8 o  348.689   17.015  1527.68  148.156  1527.68  148.156   0.0000   0.0000  348.689   17.015  ?   ?  0.000000 17.01492 
1 1 1    7    4    9 o  363.147   12.552  1651.49  113.831  1653.45  161.030  1649.53  160.931  362.822   17.773  362.389   17.783 0.4325256 25.14224 
1 1 1    7    4   10 o  487.163   15.798  2975.35  192.183  2995.43  271.851  2955.29  271.725  487.817   22.316  484.512   22.458 3.304688 31.66052 
1 1 1    7    4   11 o  604.596   19.028  4588.26  287.278  4615.91  406.349  4560.63  406.195  604.823   26.904  601.154   27.058 3.669067 38.15728 
1 1 1    7    4   12 o  565.342   25.426  4025.75  358.959  3915.81  507.541  4135.78  507.749  553.744   36.915  569.493   35.887 -15.74896 51.48423 
1 1 1    7    4   13 o  843.353   36.649  9035.09  771.825  9510.31  1092.31  8561.23  1090.74  856.889   51.283  811.179   54.157 45.70941 74.58510 
1 1 1    7    4   14 o  319.590   11.648  1277.48   92.960  1246.57  131.523  1308.33  131.409  314.968   16.782  322.746   16.358 -7.778473 23.43584 
1 1 1    7    4   15 o  802.532   24.601  8103.61  493.023  8351.27  697.543  7856.38  696.936  811.740   34.411  786.959   35.464 24.78168 49.41516 
1 1 1    7    4   16 o  734.205   22.596  6775.73  414.280  6876.75  585.937  6674.75  585.824  737.248   31.826  726.195   32.305 11.05334 45.34862 
1 1 1    7    4   17 o  433.544   14.319  2353.55  155.027  2441.45  219.203  2265.58  219.281  440.982   19.906  424.710   20.676 16.27173 28.70042 
1 1 1    7    4   18 o  274.843   10.218  944.669   70.130  915.391   98.759  974.451   99.605  269.924   14.707  278.559   14.368 -8.634552 20.56051 
1 1 1    7    4   19 o  260.228   10.701  847.198   69.540  951.363   97.850  740.898   98.848  275.183   14.288  242.484   16.421 32.69962 21.76714 
1 1 1    7    4   20 o  326.181   16.633  1339.24  135.031  1254.91  190.657  1424.11  191.270  314.217   24.492  335.182   22.990 -20.96490 33.59164 
1 1 1    7    4   21 o  490.511   18.475  3028.34  226.301  3039.62  277.005  3005.72  392.408  490.445   22.618  483.555   32.689 6.890839 39.75066 
1 1 1    7    4   22 o  243.734   10.299  743.926   62.683  777.916   87.458  708.022   89.887  248.519   14.151  236.880   15.277 11.63986 20.82409 
1 1 1    7    4   23 o  175.826   8.6318  386.942   37.900  362.497   51.322  416.263   56.207  169.543   12.204  181.706   12.462 -12.16235 17.44251 
1 1 1    7    4   24 o  273.371   10.464  936.988   71.432  901.691   99.096  975.165  103.060  267.196   14.911  277.902   14.905 -10.70663 21.08330 
1 1 1    7    4   25 o  479.596   16.142  2904.26  193.325  3146.60  272.411  2658.35  274.406  496.859   21.955  455.082   24.234 41.77686 32.70035 
1 1 1    7    4   26 o  123.523   16.108  195.978   48.504  195.978   48.504   0.0000   0.0000  123.523   16.108  ?   ?  0.000000 16.10789 
1 1 1    7    4   27 o  315.844   13.426  1256.88  105.896  1276.38  129.434  1217.41  184.165  317.177   16.398  306.875   24.229 10.30234 29.25655 
1 1 1    7    4   28 o  479.851   18.219  2925.51  218.312  2911.52  267.143  2953.62  378.790  476.576   22.447  472.576   32.291 3.999542 39.32682 
1 1 1    7    4   29 o   79.105   11.047   80.149   21.228   82.153   25.068   75.071   39.911   79.736   13.040   75.441   20.604 4.295105 24.38377 
1 1 1    7    4   30 o  198.628   10.874  497.373   53.731  527.587   65.350  434.334   94.394  204.204   12.881  183.115   21.024 21.08900 24.65665 
1 1 1    7    4   31 o  300.199   16.172  1145.83  120.788  993.319  170.497  1299.49  171.144  275.977   25.011  317.519   21.715 -41.54202 33.12247 
1 1 1    7    4   32 o  214.777   13.455  584.695   71.802  584.695   71.802   0.0000   0.0000  214.777   13.455  ?   ?  0.000000 13.45531 
1 1 1    7    4   33 o  293.996   12.833  1091.11   94.216  1138.43  115.163  995.341  163.834  299.187   15.467  276.146   23.997 23.04071 28.54953 
1 1 1    7    4   34 o  119.343   11.096  180.961   32.690  166.282   39.216  214.392   59.182  113.734   14.111  128.032   19.095 -14.29813 23.74277 
1 1 1    7    4   35 o  104.953   11.862  140.892   30.543  108.686   36.473  216.495   55.882   90.885   16.685  128.814   17.852 -37.92894 24.43584 
1 1 1    7    4   36 o   65.600   20.628   55.872   37.676   55.872   37.676   0.0000   0.0000   65.600   20.628  ?   ?  0.000000 20.62791 
1 1 1    7    4   37 o  198.273   11.502  500.447   56.704  510.967   69.324  479.180   98.569  199.440   14.008  189.755   21.162 9.685516 25.37852 
1 1 1    7    4   38 o   71.043   15.790   67.734   27.287   66.097   33.137   71.182   48.093   69.745   18.661   72.771   23.353 -3.026894 29.89261 
1 1 1    7    4   39 o   65.142   16.869   57.693   27.659   71.459   33.578   28.638   48.783   72.138   18.539   57.136   22.760 15.00223 29.35531 
1 1 1    7    4   40 o   58.735   17.710   46.601   28.132   38.777   34.907   61.100   47.518   56.095   19.890   67.669   23.260 -11.57378 30.60472 
1 1 1    7    4   41 o  167.376   15.080  370.617   62.351  495.377   91.085  260.603   85.533  190.324   19.438  132.380   26.793 57.94389 33.10136 
1 1 1    7    4   42 o   36.214   16.053  -6.1876   28.844   5.8630   36.544 -26.1003   46.977   44.166   18.825   41.968   19.341 2.197422 26.99039 
1 1 1    7    4   43 f   44.631   18.246   14.504   32.271   19.485   41.039   6.4341   52.236   49.986   20.522   50.818   22.090 -0.8323326 30.15138 
1 1 1    7    4   44 o   34.456   16.016 -22.9423   33.257 -28.6684   43.080 -14.4969   52.319   38.876   18.123   45.883   20.866 -7.007278 27.63762 
1 1 1    7    5    0 o  295.046   10.803  1090.73   79.596  1063.05  112.547  1118.44  112.584  290.321   15.581  297.883   15.185 -7.562561 21.75686 
1 1 1    7    5    1 o  179.445   11.768  405.446   52.442  302.802   73.597  511.319   74.746  153.635   19.632  201.138   14.989 -47.50299 24.69991 
1 1 1    7    5    2 o  211.576   9.1535  560.336   48.362  561.617   68.394  559.055   68.394  211.149   13.035  210.661   13.066 0.4880981 18.45594 
1 1 1    7    5    3 o  368.657   12.285  1704.59  113.101  1677.77  159.913  1731.43  159.985  364.895   17.549  370.735   17.281 -5.840363 24.62949 
1 1 1    7    5    4 o  758.052   23.369  7289.80  442.374  7319.97  625.654  7259.64  625.567  753.563   33.248  750.354   33.385 3.209595 47.11700 
1 1 1    7    5    5 o  189.207   8.7197  447.956   41.199  442.842   58.299  453.057   58.230  187.497   12.523  189.678   12.361 -2.181000 17.59650 
1 1 1    7    5    6 o  550.490   17.411  3814.68  239.342  3788.16  338.469  3841.20  338.494  546.293   24.811  550.167   24.638 -3.873901 34.96587 
1 1 1    7    5    7 o  274.672   10.472  944.556   71.828  949.055  101.572  940.056  101.588  274.551   14.870  273.231   14.946 1.319550 21.08320 
1 1 1    7    5    8 o  531.124   17.026  3544.62  225.824  3558.37  319.385  3530.87  319.341  530.469   24.110  528.390   24.202 2.079468 34.16202 
1 1 1    7    5    9 o  539.104   17.231  3649.52  231.977  3658.44  328.089  3640.60  328.043  538.229   24.410  536.901   24.467 1.328491 34.56168 
1 1 1    7    5   10 o  111.561   7.9300  156.345   21.948  148.927   31.157  163.651   30.923  108.465   11.688  113.841   11.015 -5.375549 16.06051 
1 1 1    7    5   11 o  335.134   11.872  1405.30   99.354  1426.69  140.605  1383.97  140.411  337.329   16.691  331.784   17.004 5.545013 23.82750 
1 1 1    7    5   12 o  388.188   13.176  1886.00  127.728  1909.76  180.747  1862.30  180.523  390.168   18.551  385.269   18.764 4.898773 26.38592 
1 1 1    7    5   13 o  810.653   24.865  8271.24  503.362  8327.88  711.961  8214.63  711.761  810.188   35.190  804.575   35.426 5.613037 49.93311 
1 1 1    7    5   14 o  518.277   23.304  3376.96  301.608  3643.34  427.052  3111.87  426.026  535.776   32.066  494.299   34.735 41.47644 47.27296 
1 1 1    7    5   15 o  129.995   10.800  212.759   34.741  271.214   49.498  156.005   48.773  146.576   13.681  110.079   18.392 36.49670 22.92220 
1 1 1    7    5   16 o  408.740   13.780  2091.12  140.650  2060.00  198.896  2122.25  198.923  405.174   19.658  411.280   19.369 -6.106415 27.59655 
1 1 1    7    5   17 o  261.021   10.003  851.842   65.203  849.315   92.106  854.381   92.317  260.066   14.237  260.843   14.226 -0.7771606 20.12628 
1 1 1    7    5   18 o  638.356   19.871  5117.46  316.759  5115.26  447.847  5119.66  448.082  636.369   28.182  636.642   28.185 -0.2728271 39.85712 
1 1 1    7    5   19 o  524.050   16.555  3444.41  216.652  3360.26  306.005  3529.00  306.782  516.391   23.730  529.303   23.210 -12.91174 33.19369 
1 1 1    7    5   20 o  357.847   12.623  1603.73  112.801  1654.43  159.080  1552.45  159.974  362.948   17.552  351.026   18.313 11.92203 25.36614 
1 1 1    7    5   21 o  802.544   24.760  8151.32  496.207  8005.38  701.242  8297.68  702.244  789.714   35.559  804.369   34.961 -14.65454 49.86676 
1 1 1    7    5   22 o  186.062   12.539  435.966   57.921  368.165   81.431  505.394   82.403  169.782   19.564  199.787   16.669 -30.00533 25.70238 
1 1 1    7    5   23 o  381.437   13.230  1826.38  126.018  1939.23  177.393  1711.41  179.051  392.131   18.116  367.569   19.577 24.56223 26.67316 
1 1 1    7    5   24 o  482.407   15.456  2930.58  186.193  2775.01  262.165  3088.91  264.484  467.224   22.470  493.324   21.469 -26.10007 31.07760 
1 1 1    7    5   25 o  454.503   15.358  2604.21  174.305  2659.15  245.342  2548.21  247.683  457.178   21.490  447.270   22.176 9.908203 30.88004 
1 1 1    7    5   26 o  149.644   9.5217  281.877   35.396  270.348   42.751  307.011   63.121  146.216   11.809  154.994   16.565 -8.778091 20.34326 
1 1 1    7    5   27 f   89.851   9.9663  102.517   21.985   81.278   25.919  156.986   41.508   79.239   13.588  110.451   15.474 -31.21191 20.59304 
1 1 1    7    5   28 o  397.345   28.037  2059.82  276.407  2059.82  276.407   0.0000   0.0000  397.345   28.037  ?   ?  0.000000 28.03668 
1 1 1    7    5   29 o  252.066   11.735  799.182   73.868  775.393   90.044  848.140  129.174  247.364   14.642  257.060   20.288 -9.695709 25.01972 
1 1 1    7    5   30 o  279.371   12.432  982.843   86.733  994.488  105.936  959.166  151.057  280.036   15.206  272.564   22.391 7.471985 27.06633 
1 1 1    7    5   31 o   76.816   20.715   78.042   40.646   0.0000   0.0000   78.042   40.646  ?   ?    76.816   20.715 0.000000 20.71524 
1 1 1    7    5   32 o  118.811   10.772  178.908   31.612  208.414   37.771  109.912   57.759  128.106   11.945   90.671   24.796 37.43455 27.52276 
1 1 1    7    5   33 o  109.057   14.207  152.844   37.772  102.133   53.120  204.707   53.720   87.414   23.727  125.657   17.603 -38.24345 29.54383 
1 1 1    7    5   34 o  207.773   11.158  545.221   57.680  539.348   70.299  557.321  100.903  206.044   13.742  207.625   19.697 -1.580460 24.01683 
1 1 1    7    5   35 o  170.344   10.760  367.034   45.536  386.648   55.461  326.462   79.766  174.389   12.826  157.826   20.741 16.56390 24.38644 
1 1 1    7    5   36 o  133.888   11.055  227.866   36.630  232.020   44.387  218.997   64.859  134.564   13.387  128.370   20.956 6.193680 24.86681 
1 1 1    7    5   37 o  254.525   12.449  822.960   79.123  891.184   96.781  685.448  137.401  263.570   14.764  225.566   24.803 38.00426 28.86417 
1 1 1    7    5   38 o  105.612   21.368  152.352   54.419  152.352   54.419   0.0000   0.0000  105.612   21.368  ?   ?  0.000000 21.36805 
1 1 1    7    5   39 o   63.717   16.835   54.912   27.188   61.545   33.386   41.854   46.845   67.258   19.026   61.116   22.830 6.141441 29.71800 
1 1 1    7    5   40 o  109.703   13.053  157.092   35.057  142.816   42.876  185.887   60.892  102.882   17.303  115.359   21.939 -12.47716 27.94152 
1 1 1    7    5   41 o   90.492   15.362  109.958   33.473  121.539   41.546   88.533   56.508   93.955   18.366   78.562   25.324 15.39335 31.28293 
1 1 1    7    5   42 o   67.230   20.955   63.231   38.979   42.001   57.961   80.760   52.667   62.803   24.875   74.985   24.470 -12.18174 34.89339 
1 1 1    7    5   43 o   65.992   19.349   61.557   33.954   53.537   42.937   74.944   55.472   62.977   22.084   72.281   25.116 -9.303688 33.44423 
1 1 1    7    5   44 o   65.397   20.207   61.439   36.333   74.966   46.647   40.573   57.934   71.224   23.014   61.016   24.630 10.20748 33.70896 
1 1 1    7    6    0 o  275.279   12.006  950.112   82.529  930.992  100.977  988.581  143.229  271.783   14.936  278.914   20.712 -7.130890 25.53533 
1 1 1    7    6    1 o  266.685   14.208  895.747   94.277  737.646  132.707  1056.84  133.957  240.312   22.371  288.879   18.669 -48.56676 29.13765 
1 1 1    7    6    2 o  255.205   13.979  820.273   88.750  700.390  124.990  942.179  126.040  234.290   21.607  272.699   18.620 -38.40965 28.52290 
1 1 1    7    6    3 o  442.195   14.645  2456.71  161.720  2458.66  228.722  2454.76  228.693  440.988   20.770  440.635   20.784 0.3537598 29.38267 
1 1 1    7    6    4 o  823.812   25.313  8629.48  520.737  8580.57  736.396  8678.41  736.470  813.806   36.236  818.603   36.027 -4.796997 51.09803 
1 1 1    7    6    5 o  346.720   12.147  1507.14  105.172  1528.00  148.782  1486.30  148.689  348.414   17.100  343.148   17.409 5.266266 24.40269 
1 1 1    7    6    6 o  495.108   22.708  3101.97  280.752   0.0000   0.0000  3101.97  280.752  ?   ?   495.108   22.708 0.000000 22.70767 
1 1 1    7    6    7 o  316.589   13.110  1256.63  103.647  1178.50  126.766  1414.20  180.018  305.755   16.666  333.974   21.703 -28.21848 27.36335 
1 1 1    7    6    8 o  309.817   11.200  1201.72   86.648  1221.00  122.569  1182.46  122.507  311.481   15.810  306.474   16.063 5.007019 22.53833 
1 1 1    7    6    9 o  364.183   12.484  1660.92  113.536  1685.94  160.604  1635.92  160.525  366.386   17.554  360.879   17.813 5.506836 25.00845 
1 1 1    7    6   10 o  528.453   16.748  3503.19  221.018  3442.47  312.509  3563.95  312.625  522.582   23.947  531.808   23.541 -9.225647 33.58030 
1 1 1    7    6   11 o  212.601   9.1171  565.059   48.403  586.320   68.553  543.922   68.353  216.060   12.762  208.027   13.227 8.033432 18.37993 
1 1 1    7    6   12 o  344.274   12.073  1482.88  103.792  1497.75  146.860  1468.05  146.708  345.652   17.014  341.760   17.246 3.892303 24.22619 
1 1 1    7    6   13 o  367.549   12.679  1690.30  116.370  1684.73  164.653  1695.86  164.490  366.553   17.988  367.769   17.911 -1.215881 25.38429 
1 1 1    7    6   14 o  604.155   18.942  4578.21  285.777  4602.52  404.236  4553.91  404.063  604.387   26.784  601.160   26.916 3.227173 37.97135 
1 1 1    7    6   15 o  292.663   10.714  1070.98   78.303  1121.17  110.977  1021.23  110.499  299.242   14.851  285.133   15.578 14.10883 21.52273 
1 1 1    7    6   16 o  1086.89   32.991 14955.71  895.437 15120.41  1266.53 14791.12  1266.15  1085.38   46.729  1073.17   47.246 12.20886 66.45140 
1 1 1    7    6   17 o  740.231   32.516  6938.12  601.055  7091.49  850.149  6784.85  849.893  741.861   46.119  725.055   47.197 16.80615 65.98865 
1 1 1    7    6   18 o  361.598   12.035  1635.95  108.672  1728.15  153.668  1543.72  153.702  371.304   16.573  350.407   17.621 20.89627 24.19058 
1 1 1    7    6   19 o  306.841   10.062  1177.45   77.098  1113.59  108.698  1242.11  109.370  298.141   14.600  314.924   13.907 -16.78348 20.16355 
1 1 1    7    6   20 o  532.273   17.094  3556.22  227.210  3671.10  321.166  3441.12  321.480  539.457   23.841  522.101   24.657 17.35620 34.29837 
1 1 1    7    6   21 o  466.030   15.138  2724.88  176.168  2713.06  248.646  2736.79  249.635  463.890   21.464  465.917   21.456 -2.026611 30.34918 
1 1 1    7    6   22 o  407.457   13.705  2082.55  139.448  2069.91  196.584  2095.36  197.840  405.275   19.424  407.758   19.429 -2.482635 27.47388 
1 1 1    7    6   23 o  449.712   14.935  2541.49  167.719  2557.16  236.511  2525.64  237.876  449.670   21.062  446.820   21.319 2.849762 29.96871 
1 1 1    7    6   24 o  676.045   30.474  5886.67  514.471  5804.28  727.429  5969.12  727.714  658.817   44.476  668.790   43.816 -9.972351 62.43327 
1 1 1    7    6   25 o  471.490   15.319  2801.14  180.366  2739.32  253.794  2864.22  256.378  464.061   21.901  474.629   21.631 -10.56863 30.78202 
1 1 1    7    6   26 o  153.255   9.4753  295.521   36.084  267.253   43.617  356.832   64.235  145.339   12.129  167.475   15.536 -22.13556 19.70982 
1 1 1    7    6   27 o  333.887   13.652  1404.23  113.829  1402.99  139.148  1406.75  197.914  332.583   16.809  330.312   24.162 2.270752 29.43322 
1 1 1    7    6   28 o  404.176   15.839  2065.30  159.865  2076.82  195.592  2042.11  277.465  404.057   19.385  395.693   28.266 8.363342 34.27452 
1 1 1    7    6   29 o  330.205   24.377  1410.57  199.588  1410.57  199.588   0.0000   0.0000  330.205   24.377  ?   ?  0.000000 24.37713 
1 1 1    7    6   30 o  346.253   14.259  1513.44  123.293  1514.98  150.756  1510.32  214.250  345.039   17.555  341.073   25.336 3.965424 30.82322 
1 1 1    7    6   31 o  417.779   16.318  2211.75  170.245  2391.71  208.328  1849.98  295.378  433.196   19.258  373.243   32.000 59.95291 37.34838 
1 1 1    7    6   32 o   71.855   12.429   66.864   21.495   72.867   25.398   51.711   40.351   74.768   14.121   64.848   21.431 9.919708 25.66517 
1 1 1    7    6   33 o  116.867   10.655  173.120   30.755  164.508   37.017  192.312   55.262  113.412   13.324  121.451   18.831 -8.039032 23.06803 
1 1 1    7    6   34 o  204.498   13.936  531.229   70.741  535.079   99.612  527.312  100.479  203.479   19.857  201.866   20.204 1.613083 28.32829 
1 1 1    7    6   35 o  118.169   11.368  177.594   33.131  196.707   40.226  137.283   58.420  124.048   13.188  100.885   23.608 23.16298 27.04172 
1 1 1    7    6   36 o  158.015   10.989  316.469   43.093  298.196   52.398  354.657   75.749  152.678   13.895  165.113   18.701 -12.43454 23.29844 
1 1 1    7    6   37 o   87.513   13.535   99.574   28.624   66.192   34.434  174.227   51.493   70.320   19.110  114.789   18.600 -44.46917 26.66759 
1 1 1    7    6   38 o  215.739   11.748  592.736   63.052  608.003   77.354  562.512  108.842  217.484   14.323  205.504   21.529 11.97981 25.85814 
1 1 1    7    6   39 o  117.682   21.633  189.616   61.231  189.616   61.231   0.0000   0.0000  117.682   21.633  ?   ?  0.000000 21.63280 
1 1 1    7    6   40 o   57.567   17.380   44.206   27.082   38.845   33.490   54.336   46.036   56.068   19.513   65.306   22.869 -9.237831 30.06245 
1 1 1    7    6   41 f  133.170   12.401  230.110   40.766  276.983   51.196  148.898   67.390  145.346   14.290  100.419   26.491 44.92738 30.09944 
1 1 1    7    6   42 o  143.620   12.654  268.689   44.918  255.449   55.712  293.280   75.928  138.059   16.486  144.674   21.685 -6.615005 27.23989 
1 1 1    7    6   43 o   51.077   18.877   30.346   31.861   36.339   41.196   21.425   50.259   56.260   21.324   54.453   22.568 1.807156 31.04904 
1 1 1    7    6   44 o   53.544   20.668   31.737   39.163   35.907   59.137   28.480   52.266   60.488   24.711   56.540   23.180 3.948341 33.88166 
1 1 1    7    6   45 o   71.897   20.462   76.062   38.497   87.744   49.922   58.924   60.467   75.838   23.728   66.276   25.654 9.562065 34.94472 
1 1 1    7    7    0 o  280.150   11.937  983.664   83.512  921.792  102.083  1108.86  145.211  270.463   15.176  295.831   19.770 -25.36758 24.92333 
1 1 1    7    7    1 o  472.453   17.450  2810.41  205.872  2663.29  251.857  3106.65  357.386  458.801   21.983  492.250   29.204 -33.44879 36.55310 
1 1 1    7    7    2 o  188.491   11.233  446.740   52.633  269.257   73.444  634.133   75.467  144.521   20.962  224.387   13.531 -79.86551 24.95028 
1 1 1    7    7    3 o  426.985   14.123  2289.03  150.586  2264.04  212.931  2314.03  212.989  423.442   20.137  428.143   19.921 -4.700806 28.32592 
1 1 1    7    7    4 o  469.366   15.369  2768.48  180.144  2745.32  254.750  2791.64  254.773  465.861   21.898  469.825   21.715 -3.964355 30.83965 
1 1 1    7    7    5 o   78.294   11.392   78.394   21.620   0.0000   0.0000   78.394   21.620  ?   ?    78.294   11.392 0.000000 11.39225 
1 1 1    7    7    6 o  240.441   13.465  727.344   80.523  727.344   80.523   0.0000   0.0000  240.441   13.465  ?   ?  0.000000 13.46517 
1 1 1    7    7    7 o  456.694   15.010  2617.63  171.178  2618.50  242.105  2616.77  242.061  455.589   21.280  455.438   21.284 0.1507874 30.09729 
1 1 1    7    7    8 o  756.849   23.368  7233.19  441.644  7298.75  624.669  7167.68  624.490  756.029   33.087  749.059   33.386 6.969238 47.00385 
1 1 1    7    7    9 o  548.938   17.337  3783.33  237.661  3679.29  335.989  3887.50  336.219  539.749   24.928  554.977   24.260 -15.22882 34.78436 
1 1 1    7    7   10 o  413.363   13.850  2140.18  142.965  2143.42  202.194  2136.94  202.171  413.025   19.604  412.396   19.631 0.6286621 27.74358 
1 1 1    7    7   11 o  175.275   8.3702  383.985   36.636  397.535   51.868  370.495   51.753  177.865   11.744  171.641   12.153 6.223358 16.90011 
1 1 1    7    7   12 o   91.913   7.8899  106.350   17.934  120.528   25.512   92.500   25.215   97.598   10.640   85.121   12.212 12.47620 16.19712 
1 1 1    7    7   13 o  347.475   12.175  1510.47  105.646  1505.42  149.467  1515.51  149.346  346.553   17.271  347.718   17.199 -1.165070 24.37460 
1 1 1    7    7   14 o  312.003   11.184  1217.39   87.134  1258.60  123.353  1176.35  123.100  317.003   15.582  306.010   16.167 10.99255 22.45367 
1 1 1    7    7   15 o  190.465   8.7363  453.385   41.552  468.361   59.014  438.662   58.516  193.104   12.302  186.826   12.616 6.278427 17.62156 
1 1 1    7    7   16 o  530.170   16.915  3522.37  223.949  3584.46  316.867  3460.40  316.556  533.876   23.768  524.492   24.169 9.383850 33.89757 
1 1 1    7    7   17 o  1225.19   37.143 19084.80  1136.41 19769.11  1607.91 18401.82  1606.35  1236.30   52.082  1191.23   54.000 45.06653 75.02353 
1 1 1    7    7   18 o  506.114   16.252  3210.18  205.405  3230.37  290.467  3189.99  290.506  506.770   22.953  503.568   23.102 3.201416 32.56571 
1 1 1    7    7   19 o  121.748   11.774  187.193   35.349  218.428   48.574  152.026   51.540  131.176   15.105  108.353   19.777 22.82218 24.88527 
1 1 1    7    7   20 o  538.135   16.795  3633.71  225.694  3904.62  319.308  3363.23  319.050  556.641   22.971  516.230   24.749 40.41095 33.76704 
1 1 1    7    7   21 o  217.921   9.4057  594.022   51.185  646.321   71.670  539.579   73.124  226.791   12.706  206.971   14.235 19.82016 19.08072 
1 1 1    7    7   22 o  340.120   12.391  1449.66  105.244  1551.05  148.358  1346.94  149.320  351.263   16.913  326.633   18.381 24.63028 24.97866 
1 1 1    7    7   23 o  155.495   8.1079  303.262   31.374  285.850   42.536  324.034   46.461  150.610   11.394  160.372   11.682 -9.761612 16.31831 
1 1 1    7    7   24 o  458.609   15.095  2645.51  172.875  2545.00  243.516  2747.64  245.461  448.040   21.765  465.746   21.105 -17.70624 30.31724 
1 1 1    7    7   25 o  587.007   26.774  4418.09  392.475  4419.18  555.048  4417.00  555.040  577.836   38.689  577.685   38.699 0.1514282 54.72187 
1 1 1    7    7   26 o  176.431   12.483  393.137   54.643  363.260   77.099  423.290   77.455  168.350   18.653  182.202   17.228 -13.85233 25.39151 
1 1 1    7    7   27 o  344.436   13.962  1494.60  120.090  1479.48  146.861  1525.11  208.622  341.463   17.279  343.990   24.446 -2.527313 29.93604 
1 1 1    7    7   28 o  266.778   11.800  894.679   78.608  822.911   95.854  1042.07  137.367  254.868   15.128  285.665   19.371 -30.79669 24.57842 
1 1 1    7    7   29 o  189.136   9.8391  450.060   46.310  366.043   56.024  631.316   82.288  169.945   13.308  223.127   14.853 -53.18117 19.94278 
1 1 1    7    7   30 o  305.842   23.415  1208.27  177.474   0.0000   0.0000  1208.27  177.474  ?   ?   305.842   23.415 0.000000 23.41525 
1 1 1    7    7   31 o  310.230   23.470  1244.23  180.480  1244.23  180.480   0.0000   0.0000  310.230   23.470  ?   ?  0.000000 23.47033 
1 1 1    7    7   32 o   77.497   11.790   77.261   22.098   85.216   26.321   58.269   40.672   81.150   13.460   67.810   21.446 13.34061 25.31994 
1 1 1    7    7   33 o  223.137   11.367  628.066   63.128  666.579   77.067  549.528  110.054  229.420   13.512  205.854   21.738 23.56534 25.59477 
1 1 1    7    7   34 o  379.453   15.268  1824.47  144.673  1912.18  177.213  1649.20  250.512  387.220   18.327  353.345   28.637 33.87466 33.99939 
1 1 1    7    7   35 o   97.001   11.793  120.320   27.978  145.705   34.088   67.925   48.975  106.619   13.077   73.068   23.578 33.55153 26.96222 
1 1 1    7    7   36 o  149.879   13.645  286.907   50.509  351.134   71.616  223.339   71.247  164.770   17.682  129.355   22.894 35.41431 28.92706 
1 1 1    7    7   37 o  277.003   12.694  972.796   87.805  1042.22  107.630  834.657  151.825  285.424   15.155  250.424   24.596 35.00072 28.88957 
1 1 1    7    7   38 o  344.641   14.553  1519.03  125.247  1604.14  153.551  1349.81  216.500  352.342   17.452  314.192   27.884 38.14957 32.89455 
1 1 1    7    7   39 o   37.741   15.482   7.0259   23.334   12.055   28.227  -3.8270   41.467   42.740   17.213   45.057   19.633 -2.317204 26.11017 
1 1 1    7    7   40 o  169.324   11.643  367.557   48.931  367.547   60.109  367.575   84.246  168.153   14.455  164.710   20.957 3.442307 25.45878 
1 1 1    7    7   41 o  131.552   23.695  244.203   74.977  244.203   74.977   0.0000   0.0000  131.552   23.695  ?   ?  0.000000 23.69480 
1 1 1    7    7   42 o  206.262   12.270  550.048   62.914  620.515   78.392  422.530  105.455  217.663   14.506  171.413   25.405 46.24953 29.25478 
1 1 1    7    7   43 o   88.130   16.478  105.972   34.932  104.472   44.057  108.512   57.323   85.613   20.810   85.569   25.156 0.4419708E-01 32.64806 
1 1 1    7    7   44 o   62.804   19.761   55.014   34.569   81.126   43.836   12.069   56.218   74.704   22.009   53.956   23.182 20.74817 31.96582 
1 1 1    7    7   45 o   54.764   21.065   34.649   40.570   49.479   58.615   21.012   56.210   63.714   25.085   55.486   23.487 8.228539 34.36406 
1 1 1    7    8    0 f  474.537   22.061  2843.68  261.429  2864.25  369.607  2823.09  369.827  472.520   31.504  468.994   31.765 3.525757 44.73833 
1 1 1    7    8    1 o  208.267   10.301  542.991   53.576  495.025   65.369  641.138   93.508  198.245   13.281  225.218   16.746 -26.97289 21.37333 
1 1 1    7    8    2 o  305.893   12.074  1172.61   92.228  1084.45  112.725  1351.12  160.403  293.430   15.438  326.773   19.750 -33.34250 25.06771 
1 1 1    7    8    3 o  229.547   12.530  662.474   71.551  461.098  100.292  871.212  102.109  189.881   21.532  262.880   15.625 -72.99899 26.60356 
1 1 1    7    8    4 o  303.980   12.615  1158.34   95.757  1210.73  117.306  1053.72  165.779  310.508   15.129  287.657   23.278 22.85052 27.76205 
1 1 1    7    8    5 o  253.761   9.9775  805.966   63.226  792.930   89.402  819.009   89.428  250.978   14.324  255.117   14.092 -4.139709 20.09386 
1 1 1    7    8    6 o  600.682   18.820  4541.69  282.303  4592.32  399.293  4491.08  399.181  601.620   26.578  594.845   26.873 6.774414 37.79597 
1 1 1    7    8    7 o  531.019   16.863  3542.15  223.611  3565.20  316.268  3519.10  316.200  531.147   23.845  527.662   23.997 3.485352 33.82921 
1 1 1    7    8    8 f  337.828   11.939  1428.96  100.722  1399.92  142.425  1458.01  142.460  333.451   17.162  340.788   16.740 -7.336853 23.97452 
1 1 1    7    8    9 o  656.593   20.481  5422.34  335.811  5425.19  474.937  5419.49  474.879  654.354   29.065  654.006   29.077 0.3476563 41.11278 
1 1 1    7    8   10 o  696.013   21.249  6092.04  369.320  5951.60  522.153  6232.62  522.441  685.355   30.509  701.578   29.820 -16.22253 42.66216 
1 1 1    7    8   11 o  348.876   11.757  1522.81  102.424  1585.62  144.937  1460.15  144.763  355.664   16.319  341.247   16.988 14.41708 23.55617 
1 1 1    7    8   12 o  203.981   8.9880  520.096   45.783  524.590   64.761  515.607   64.733  204.350   12.754  202.575   12.863 1.775085 18.11448 
1 1 1    7    8   13 o  522.342   16.730  3419.16  218.224  3394.33  308.631  3443.99  308.598  519.472   23.792  523.286   23.616 -3.814331 33.52248 
1 1 1    7    8   14 o  351.009   12.183  1541.27  106.787  1502.27  150.994  1580.30  151.045  345.748   17.546  355.105   17.033 -9.357544 24.45385 
1 1 1    7    8   15 o  889.219   26.986  9963.63  599.243 10139.30  847.737  9788.18  847.179  893.025   38.014  877.149   38.677 15.87549 54.23082 
1 1 1    7    8   16 o  391.854   13.275  1921.53  129.899  1961.54  183.921  1881.71  183.488  395.483   18.623  387.319   18.971 8.163452 26.58419 
1 1 1    7    8   17 o  809.446   24.824  8247.42  501.785  8472.06  709.917  8023.14  709.346  817.221   34.787  794.929   35.734 22.29126 49.87024 
1 1 1    7    8   18 o  611.139   19.132  4687.27  291.977  4753.39  413.025  4621.21  412.810  613.899   26.942  605.218   27.314 8.680237 38.36573 
1 1 1    7    8   19 o  261.478   9.7799  854.917   63.859  817.763   90.254  892.164   90.367  255.132   14.223  266.585   13.620 -11.45302 19.69225 
1 1 1    7    8   20 o  826.073   25.222  8613.71  520.295  8960.04  736.084  8267.89  735.534  838.239   35.165  804.508   36.612 33.73126 50.76409 
1 1 1    7    8   21 f  620.523   27.744  4881.30  429.908  5368.61  608.047  4394.20  607.916  645.555   37.884  581.693   42.136 63.86218 56.66264 
1 1 1    7    8   22 o  395.212   13.574  1958.50  133.962  2024.88  189.160  1891.71  189.743  401.059   18.887  387.022   19.698 14.03741 27.28981 
1 1 1    7    8   23 o  574.648   18.336  4160.36  263.124  4230.46  371.778  4090.00  372.449  576.943   25.805  567.090   26.301 9.852417 36.84570 
1 1 1    7    8   24 o  222.815   9.0234  621.466   50.207  576.681   69.480  670.405   72.631  213.944   13.068  230.796   12.650 -16.85208 18.18769 
1 1 1    7    8   25 o  324.355   13.070  1321.74  105.864  1258.06  129.381  1450.75  184.150  315.454   16.481  337.241   21.987 -21.78656 27.47831 
1 1 1    7    8   26 o  293.753   12.511  1084.34   91.773  1064.15  112.158  1125.25  159.645  290.100   15.539  296.600   21.705 -6.499664 26.69377 
1 1 1    7    8   27 o  257.510   14.578  838.472   93.359  830.231  131.989  846.724  132.071  254.549   20.950  257.145   20.744 -2.596176 29.48251 
1 1 1    7    8   28 o  215.875   10.910  586.656   58.622  590.302   71.583  579.230  102.151  216.115   13.329  212.626   19.454 3.489014 23.58248 
1 1 1    7    8   29 o  546.479   20.428  3806.96  278.773  3826.97  341.335  3766.89  483.104  545.084   25.076  530.605   36.685 14.47858 44.43701 
1 1 1    7    8   30 o  171.757   10.025  371.514   42.813  345.213   51.837  427.957   75.938  165.114   12.669  183.057   16.800 -17.94261 21.04095 
1 1 1    7    8   31 o  258.424   11.764  840.048   75.919  812.886   92.644  895.579  132.466  253.275   14.711  264.208   20.231 -10.93314 25.01442 
1 1 1    7    8   32 o  208.342   10.934  547.042   56.686  586.378   69.074  465.909   99.202  215.339   12.905  189.691   21.311 25.64845 24.91376 
1 1 1    7    8   33 o  361.051   26.307  1701.01  235.555  1701.01  235.555   0.0000   0.0000  361.051   26.307  ?   ?  0.000000 26.30698 
1 1 1    7    8   34 o  426.452   16.571  2309.16  176.469  2312.27  216.039  2302.91  305.910  424.941   20.359  417.507   29.532 7.434113 35.86934 
1 1 1    7    8   35 o  188.291   10.906  447.657   51.058  457.564   62.393  427.574   88.837  189.873   13.242  181.656   19.910 8.217316 23.91124 
1 1 1    7    8   36 o  112.716   11.341  161.743   31.488  141.466   38.092  205.495   55.954  104.542   15.023  125.464   18.407 -20.92258 23.75905 
1 1 1    7    8   37 o  104.314   11.931  139.308   30.521  159.118   37.441  100.064   52.697  111.145   13.786   85.996   23.754 25.14900 27.46405 
1 1 1    7    8   38 o  300.604   16.467  1164.05  123.139  1316.10  175.109  1015.30  173.196  315.687   22.357  274.828   25.528 40.85886 33.93413 
1 1 1    7    8   39 o   94.133   13.189  115.133   30.152  141.103   37.466   67.393   50.799  103.889   14.866   72.018   24.057 31.87090 28.27936 
1 1 1    7    8   40 o  141.991   11.581  258.498   40.706  314.465   50.782  157.901   68.082  156.136   13.147  105.200   26.053 50.93587 29.18162 
1 1 1    7    8   41 o  125.724   12.542  204.748   38.850  240.604   48.355  139.462   65.249  135.598   14.505   98.036   26.165 37.56216 29.91655 
1 1 1    7    8   42 o  257.288   24.709  934.253  156.800  934.253  156.800   0.0000   0.0000  257.288   24.709  ?   ?  0.000000 24.70879 
1 1 1    7    8   43 o  104.037   14.941  144.337   37.702  158.732   47.247  119.104   62.555  107.625   18.231   89.443   26.274 18.18208 31.97964 
1 1 1    7    8   44 o   65.231   19.201   59.596   33.377   56.266   42.748   64.796   53.420   64.330   22.065   68.902   24.586 -4.571686 33.03574 
1 1 1    7    8   45 o   86.863   18.598  106.767   39.123  146.685   50.916   49.224   61.131  100.783   20.916   64.562   25.554 36.22095 33.02272 
1 1 1    7    9    0 o  468.586   21.811  2767.76  255.225  2827.15  360.845  2708.31  361.039  470.402   30.890  460.118   31.614 10.28369 44.20000 
1 1 1    7    9    1 o   94.443   11.462  113.306   26.479  123.753   37.234  102.618   37.662   98.091   15.732   88.834   17.600 9.256310 23.60634 
1 1 1    7    9    2 o  405.295   19.404  2067.86  196.382  2039.52  277.575  2096.27  277.878  399.827   27.977  405.488   27.607 -5.661407 39.30476 
1 1 1    7    9    3 o  549.292   24.742  3818.34  339.382  4189.84  480.409  3448.24  479.509  571.159   33.833  516.334   37.444 54.82495 50.46488 
1 1 1    7    9    4 o  122.796   16.408  192.689   49.055   0.0000   0.0000  192.689   49.055  ?   ?   122.796   16.408 0.000000 16.40784 
1 1 1    7    9    5 o  379.002   17.999  1806.03  170.352  1806.03  170.352   0.0000   0.0000  379.002   17.999  ?   ?  0.000000 17.99924 
1 1 1    7    9    6 o   93.452   9.0996  110.260   20.966  122.334   25.608   85.712   36.515   98.303   10.599   80.975   18.467 17.32806 21.29304 
1 1 1    7    9    7 o  492.195   15.803  3039.48  194.239  3190.62  274.875  2888.73  274.515  503.172   21.876  478.549   22.972 24.62268 31.72147 
1 1 1    7    9    8 o  125.700   7.9079  198.282   24.696  181.083   34.917  215.499   34.934  119.698   11.836  130.796   10.792 -11.09775 16.01778 
1 1 1    7    9    9 o  531.969   16.951  3550.23  225.180  3577.70  318.526  3522.78  318.379  532.768   23.942  528.626   24.118 4.142151 33.98373 
1 1 1    7    9   10 o  524.100   16.590  3444.20  217.124  3359.01  306.966  3529.49  307.152  516.423   23.803  529.476   23.230 -13.05212 33.26019 
1 1 1    7    9   11 o  248.604   9.6499  772.718   59.908  767.216   84.738  778.216   84.707  247.163   13.784  248.945   13.678 -1.782120 19.41890 
1 1 1    7    9   12 o  247.013   9.7283  762.815   60.008  798.677   84.932  727.069   84.796  252.240   13.533  240.566   14.178 11.67377 19.59989 
1 1 1    7    9   13 o  206.335   8.9401  532.135   46.064  530.079   65.131  534.192   65.159  205.431   12.759  206.234   12.714 -0.8024139 18.01237 
1 1 1    7    9   14 o  674.878   20.936  5718.72  352.828  5680.79  498.931  5756.67  499.018  670.724   29.788  675.237   29.594 -4.513794 41.99010 
1 1 1    7    9   15 o  566.676   17.533  4025.15  248.114  3816.61  350.712  4234.11  351.062  550.607   25.507  580.172   24.231 -29.56580 35.18175 
1 1 1    7    9   16 o  618.786   19.382  4803.90  299.502  4815.12  423.670  4792.70  423.449  618.016   27.452  616.565   27.503 1.451355 38.85886 
1 1 1    7    9   17 o  404.168   13.410  2044.46  135.344  2171.69  191.733  1918.10  191.080  416.111   18.452  390.458   19.660 25.65314 26.96264 
1 1 1    7    9   18 o  487.255   15.846  2974.82  192.812  2895.26  272.665  3054.39  272.691  479.802   22.757  492.903   22.154 -13.10175 31.76002 
1 1 1    7    9   19 o  343.337   11.659  1474.90   99.960  1492.09  141.458  1457.75  141.272  344.982   16.420  340.974   16.591 4.007782 23.34307 
1 1 1    7    9   20 o  211.159   9.1968  557.528   48.495  597.921   68.504  516.949   68.661  218.173   12.628  202.699   13.644 15.47340 18.59071 
1 1 1    7    9   21 o  280.502   10.890  984.701   76.284  1148.52  107.820  820.513  107.943  302.685   14.265  255.062   17.045 47.62354 22.22663 
1 1 1    7    9   22 o  177.060   9.3452  393.298   41.173  454.856   57.635  329.143   58.839  190.157   12.202  161.296   14.772 28.86037 19.15981 
1 1 1    7    9   23 o  819.981   36.317  8686.87  743.639  8433.83  1050.30  8941.23  1053.04  791.198   53.473  816.427   51.921 -25.22900 74.53233 
1 1 1    7    9   24 o   70.523   9.4673   63.377   16.252   65.998   20.789   59.260   26.060   71.577   12.060   67.301   15.780 4.276413 19.86071 
1 1 1    7    9   25 o  537.811   19.968  3662.48  268.177  3647.68  328.340  3692.15  464.804  534.804   24.585  531.207   35.239 3.596924 42.96809 
1 1 1    7    9   26 o  320.117   13.049  1288.24  104.316  1296.27  127.687  1272.13  180.888  320.576   15.950  315.027   23.156 5.549225 28.11786 
1 1 1    7    9   27 o  217.462   10.800  593.498   58.646  590.426   71.685  599.716  101.981  216.206   13.342  216.637   19.045 -0.4311066 23.25340 
1 1 1    7    9   28 o  350.457   14.177  1548.05  124.069  1556.07  151.887  1531.98  215.080  350.545   17.351  344.331   25.188 6.213898 30.58608 
1 1 1    7    9   29 o  486.358   33.429  3128.83  403.544   0.0000   0.0000  3128.83  403.544  ?   ?   486.358   33.429 0.000000 33.42943 
1 1 1    7    9   30 o   90.681   12.398  105.358   27.340  105.358   27.340   0.0000   0.0000   90.681   12.398  ?   ?  0.000000 12.39804 
1 1 1    7    9   31 o  459.336   17.564  2677.45  201.472  2623.33  246.555  2786.21  349.519  452.702   21.810  460.255   30.584 -7.553253 37.56427 
1 1 1    7    9   32 o  436.381   16.804  2414.36  183.118  2305.62  224.006  2633.39  317.928  424.571   21.128  448.594   28.529 -24.02234 35.50072 
1 1 1    7    9   33 o  164.647   10.312  341.839   42.183  347.436   51.304  330.158   74.114  165.618   12.497  159.943   18.923 5.675201 22.67692 
1 1 1    7    9   34 o  106.315   18.846  148.157   48.203  148.157   48.203   0.0000   0.0000  106.315   18.846  ?   ?  0.000000 18.84644 
1 1 1    7    9   35 o  172.002   10.780  373.598   46.067  326.299   55.790  474.959   81.671  160.035   14.104  192.489   17.171 -32.45470 22.22097 
1 1 1    7    9   36 o  116.076   11.206  171.287   32.078  170.190   39.072  173.557   56.184  115.158   13.866  114.623   20.375 0.5351715 24.64551 
1 1 1    7    9   37 o  257.586   12.246  838.879   78.772  889.641   96.703  738.770  135.803  264.149   14.719  236.947   23.251 27.20276 27.51799 
1 1 1    7    9   38 o   72.375   15.109   69.265   26.425   38.745   32.451  129.337   45.527   56.519   19.226   98.433   19.211 -41.91482 27.17889 
1 1 1    7    9   39 o  100.915   15.429  133.498   37.647  124.228   53.326  142.708   53.155   95.065   22.764  102.418   21.470 -7.352829 31.29145 
1 1 1    7    9   40 o  121.091   12.133  188.686   36.194  181.258   45.004  202.290   60.902  117.490   15.734  122.197   20.697 -4.707848 25.99881 
1 1 1    7    9   41 o  208.344   11.814  556.427   61.210  637.506   76.053  407.327  103.134  222.029   13.785  170.639   24.940 51.39059 28.49569 
1 1 1    7    9   42 o   81.819   16.055   90.383   31.631   95.525   40.232   82.060   51.189   82.888   19.723   76.445   24.045 6.442535 31.09904 
1 1 1    7    9   43 o  165.686   12.372  355.784   50.821  409.153   63.970  264.461   83.681  176.477   14.648  134.741   25.810 41.73605 29.67662 
1 1 1    7    9   44 o  103.051   29.235  165.734   78.714  165.734   78.714   0.0000   0.0000  103.051   29.235  ?   ?  0.000000 29.23548 
1 1 1    7    9   45 o  201.022   12.675  528.555   63.301  687.320   80.888  277.689  101.678  227.963   14.281  130.423   31.560 97.54024 34.64130 
1 1 1    7    9   46 o   75.265   20.123   82.559   38.551   65.570   51.354  104.495   58.355   67.773   24.114   81.999   25.654 -14.22540 35.20808 
1 1 1    7   10    0 o  137.501   11.698  238.325   39.785  237.406   55.817  239.274   56.724  136.556   16.717  137.069   16.932 -0.5125580 23.79419 
1 1 1    7   10    1 o  651.829   29.026  5386.03  472.474  5266.85  667.775  5505.50  668.585  638.030   42.149  652.875   41.220 -14.84491 58.95500 
1 1 1    7   10    2 o  549.899   24.930  3819.32  342.343  3749.79  483.869  3889.01  484.425  540.392   36.064  550.640   35.417 -10.24811 50.54684 
1 1 1    7   10    3 o  509.468   33.700  3324.28  426.326   0.0000   0.0000  3324.28  426.326  ?   ?   509.468   33.700 0.000000 33.70034 
1 1 1    7   10    4 o  669.456   43.322  5817.88  720.360   0.0000   0.0000  5817.88  720.360  ?   ?   669.456   43.322 0.000000 43.32225 
1 1 1    7   10    5 o  159.015   9.7187  317.456   38.407  334.653   46.926  282.560   66.845  163.099   11.597  148.857   18.372 14.24281 21.72639 
1 1 1    7   10    6 o  689.207   24.396  5995.18  419.881  5689.29  513.793  6610.23  728.546  669.288   30.741  715.706   40.933 -46.41864 51.19165 
1 1 1    7   10    7 o  1129.88   40.094 16388.39  1131.24 16087.49  1385.09 16991.21  1960.49  1111.12   49.919  1117.11   70.642 -5.985474 86.49959 
1 1 1    7   10    8 o  469.635   17.696  2768.11  207.533  2713.09  254.042  2878.49  359.834  464.308   21.910  475.582   30.459 -11.27463 37.52078 
1 1 1    7   10    9 o  414.901   15.732  2157.71  162.998  2279.88  199.750  1914.26  281.983  426.135   18.771  387.880   29.329 38.25479 34.82152 
1 1 1    7   10   10 o  366.464   12.020  1680.41  109.997  1708.50  155.607  1652.35  155.511  369.130   16.881  362.989   17.156 6.141602 24.06864 
1 1 1    7   10   11 o  428.944   14.169  2303.81  151.775  2334.49  214.693  2273.15  214.591  431.196   19.938  425.463   20.198 5.733429 28.38105 
1 1 1    7   10   12 o  914.325   39.741 10660.45  907.384 10096.09  1282.51 11226.08  1283.96  877.240   58.887  927.546   55.691 -50.30664 81.04987 
1 1 1    7   10   13 o  731.010   31.480  6758.60  574.665  5950.48  811.557  7571.29  813.847  678.559   48.208  768.562   42.571 -90.00244 64.31368 
1 1 1    7   10   14 o  381.934   17.771  1828.74  169.492  1414.12  239.175  2247.01  240.224  333.523   29.006  422.200   22.870 -88.67740 36.93760 
1 1 1    7   10   15 o  328.540   16.743  1356.03  136.912  1229.13  193.753  1482.58  193.493  311.511   25.121  342.716   22.738 -31.20532 33.88318 
1 1 1    7   10   16 o  488.075   22.452  2993.83  273.653  2888.03  387.096  3099.53  386.912  476.559   32.726  494.095   31.523 -17.53607 45.43848 
1 1 1    7   10   17 f  249.337   13.449  780.375   83.428  948.330  119.012  618.091  116.986  274.484   17.454  220.783   21.491 53.70114 27.68551 
1 1 1    7   10   18 o  651.431   19.200  5326.27  312.335  5852.50  442.391  4803.27  441.028  681.378   26.000  616.661   28.640 64.71729 38.68095 
1 1 1    7   10   19 o  759.257   23.276  7257.78  441.319  7411.10  624.322  7104.67  623.916  764.158   32.717  747.936   33.405 16.22260 46.75787 
1 1 1    7   10   20 o  418.615   13.484  2194.86  140.952  2287.42  199.460  2102.52  199.214  426.735   18.718  409.019   19.504 17.71588 27.03242 
1 1 1    7   10   21 o  957.906   29.288 11650.24  700.601 12036.97  991.162 11264.07  990.437  965.945   41.091  933.377   42.493 32.56787 59.11090 
1 1 1    7   10   22 o  271.655   10.458  923.692   70.947  1051.27  100.169  795.266  100.502  289.539   13.854  251.132   16.111 38.40730 21.24832 
1 1 1    7   10   23 o  445.883   14.612  2496.21  162.696  2516.11  229.747  2476.18  230.429  446.432   20.608  442.822   20.838 3.610718 29.30754 
1 1 1    7   10   24 o  212.702   9.7496  566.518   51.785  569.186   72.158  563.684   74.363  212.476   13.672  211.366   14.171 1.109772 19.69104 
1 1 1    7   10   25 o  601.844   40.005  4792.59  597.815  4792.59  597.815   0.0000   0.0000  601.844   40.005  ?   ?  0.000000 40.00485 
1 1 1    7   10   26 o  294.861   12.349  1092.11   90.930  1048.24  111.230  1180.49  157.882  287.972   15.525  304.181   20.912 -16.20926 26.04487 
1 1 1    7   10   27 o  261.674   11.592  859.964   75.749  839.986   92.672  900.182  131.486  257.808   14.453  265.494   19.979 -7.686401 24.65848 
1 1 1    7   10   28 o  150.863   9.4971  286.487   35.596  257.826   43.433  345.121   62.124  142.677   12.311  164.678   15.281 -22.00140 19.62303 
1 1 1    7   10   29 o  503.549   18.749  3220.41  235.760  3216.77  288.683  3227.69  408.525  501.091   23.070  494.269   33.292 6.821594 40.50435 
1 1 1    7   10   30 o  399.661   15.714  2019.42  156.832  2079.47  192.150  1899.59  271.443  404.392   19.028  381.184   28.727 23.20828 34.45750 
1 1 1    7   10   31 o  582.325   26.795  4393.37  389.652  4567.31  551.544  4220.05  550.559  582.037   38.158  557.600   39.801 24.43713 55.13778 
1 1 1    7   10   32 o  314.864   13.276  1249.62  104.386  1231.64  127.782  1285.68  180.983  311.380   16.492  315.598   23.125 -4.217194 28.40369 
1 1 1    7   10   33 o  204.241   10.882  525.757   55.300  513.609   67.578  550.381   96.212  201.349   13.519  207.108   18.808 -5.759399 23.16230 
1 1 1    7   10   34 o  141.904   10.325  254.317   36.335  237.745   44.302  288.371   63.508  136.685   13.141  149.715   17.306 -13.03000 21.73001 
1 1 1    7   10   35 o  140.040   10.626  247.992   36.884  262.184   45.049  219.128   64.243  143.639   12.690  129.294   20.588 14.34489 24.18442 
1 1 1    7   10   36 o   89.543   21.170  107.189   46.592  107.189   46.592   0.0000   0.0000   89.543   21.170  ?   ?  0.000000 21.17037 
1 1 1    7   10   37 o  324.628   13.925  1336.20  112.886  1323.34  138.350  1361.81  195.260  321.300   17.307  321.841   24.479 -0.5408020 29.97893 
1 1 1    7   10   38 o  117.671   11.641  176.747   33.759  189.130   41.658  153.056   57.618  121.187   14.025  106.410   22.392 14.77703 26.42166 
1 1 1    7   10   39 o  305.777   13.557  1191.73  103.516  1225.43  127.238  1125.78  178.022  308.102   16.599  289.459   24.870 18.64337 29.90035 
1 1 1    7   10   40 o  217.788   11.913  605.292   64.546  650.332   79.735  519.671  109.936  224.723   14.283  196.144   22.874 28.57915 26.96723 
1 1 1    7   10   41 o   70.112   18.513   67.052   32.891   91.061   47.300   44.574   45.768   80.834   22.569   61.832   22.662 19.00182 31.98314 
1 1 1    7   10   42 o  188.105   11.911  455.026   55.659  523.358   69.645  334.236   92.597  200.706   13.983  153.681   24.987 47.02553 28.63313 
1 1 1    7   10   43 o   82.130   16.863   91.941   33.428   95.278   43.106   86.906   52.944   82.200   20.941   78.127   24.434 4.072617 32.18001 
1 1 1    7   10   44 o  128.471   13.405  216.560   42.371  257.794   54.485  153.470   67.396  138.923   15.998  101.213   26.393 37.71049 30.86255 
1 1 1    7   10   45 o  113.699   15.083  173.321   41.767  221.590   54.178  102.606   65.576  127.357   17.498   82.432   27.325 44.92512 32.44692 
1 1 1    7   10   46 o   66.810   28.332   40.923   82.029   40.923   82.029   0.0000   0.0000   66.810   28.332  ?   ?  0.000000 28.33178 
1 1 1    7   11    0 o  772.520   34.020  7588.20  656.291  7784.32  928.167  7392.10  928.102  774.088   48.256  753.436   49.606 20.65271 69.20561 
1 1 1    7   11    1 o  754.681   33.289  7239.01  627.354  7330.83  887.141  7147.15  887.285  751.270   47.532  741.367   48.188 9.902954 67.68649 
1 1 1    7   11    2 o  115.101   11.515  167.428   32.653  162.004   45.661  173.104   46.713  112.428   16.777  116.333   16.546 -3.904251 23.56367 
1 1 1    7   11    3 o  439.887   20.689  2433.47  227.268  2490.56  321.334  2376.33  321.476  442.516   29.244  432.003   29.985 10.51337 41.88449 
1 1 1    7   11    4 o  774.625   34.143  7639.48  660.456  7726.34  934.008  7552.61  934.044  769.940   48.831  760.811   49.431 9.128967 69.48327 
1 1 1    7   11    5 o  565.052   36.832  4093.20  516.867   0.0000   0.0000  4093.20  516.867  ?   ?   565.052   36.832 0.000000 36.83158 
1 1 1    7   11    6 o  646.099   23.015  5257.79  371.325  5042.33  454.422  5690.75  644.167  631.165   28.831  665.778   38.915 -34.61261 48.43138 
1 1 1    7   11    7 o  528.242   19.532  3505.45  257.648  3461.60  315.418  3593.39  446.645  524.093   24.101  530.566   33.888 -6.472961 41.58406 
1 1 1    7   11    8 o  186.907   10.109  438.150   47.006  430.121   57.425  454.454   81.833  184.959   12.506  189.539   17.487 -4.579544 21.49865 
1 1 1    7   11    9 o  493.572   18.464  3057.22  227.574  3049.37  278.625  3072.95  394.440  492.307   22.664  491.265   32.333 1.042023 39.48527 
1 1 1    7   11   10 o  419.062   16.100  2200.82  168.486  2129.19  206.171  2344.85  292.339  411.767   20.051  430.221   27.353 -18.45416 33.91483 
1 1 1    7   11   11 o  1414.28   49.960 25834.47  1764.45 25182.38  2160.25 27141.40  3058.26  1383.32   62.536  1399.65   87.947 -16.32446 107.9137 
1 1 1    7   11   12 o  690.272   29.527  6018.57  508.970  6799.70  721.278  5243.85  718.316  729.282   39.756  637.855   45.393 91.42676 60.34078 
1 1 1    7   11   13 o  179.506   12.063  404.902   53.758  424.675   76.557  385.669   75.504  183.310   16.915  174.528   17.563 8.782379 24.38391 
1 1 1    7   11   14 o  582.235   17.552  4249.56  255.204  4232.51  360.945  4266.61  360.880  579.897   24.925  582.247   24.820 -2.350403 35.17536 
1 1 1    7   11   15 o  474.810   15.396  2823.54  182.554  2733.95  258.085  2913.25  258.256  466.452   22.157  481.597   21.474 -15.14490 30.85546 
1 1 1    7   11   16 o  436.310   14.292  2383.32  155.717  2479.12  220.416  2287.85  220.020  444.438   19.860  426.860   20.641 17.57748 28.64379 
1 1 1    7   11   17 o  1181.52   35.872 17737.28  1058.40 17434.03  1496.55 18040.74  1497.05  1160.66   51.634  1181.40   50.745 -20.73303 72.39532 
1 1 1    7   11   18 o  1285.84   38.569 21088.57  1238.44 21489.41  1752.00 20688.26  1750.84  1284.47   54.621  1259.28   55.677 25.18713 77.99589 
1 1 1    7   11   19 o  271.074   14.257  922.934   96.167  1073.45  137.001  776.739  135.022  291.792   18.904  247.512   22.077 44.27974 29.06441 
1 1 1    7   11   20 o  475.986   22.014  2852.89  261.666  2875.85  370.471  2830.04  369.634  474.845   31.421  470.972   31.612 3.873047 44.57098 
1 1 1    7   11   21 o  312.414   11.751  1222.01   91.673  1309.53  129.629  1134.45  129.661  323.022   16.070  300.030   17.380 22.99127 23.67127 
1 1 1    7   11   22 o  670.350   20.787  5666.09  347.965  5787.27  492.096  5544.92  492.097  674.274   29.226  659.724   29.870 14.54980 41.78947 
1 1 1    7   11   23 o  249.527   10.189  779.539   63.489  850.150   89.424  707.770   90.155  259.924   13.827  236.872   15.324 23.05154 20.63960 
1 1 1    7   11   24 f  295.461   12.592  1095.22   92.906  1094.51  113.796  1096.64  160.893  294.599   15.523  293.398   22.123 1.201141 27.02546 
1 1 1    7   11   25 o  710.535   25.797  6449.64  457.730  6461.52  560.572  6425.89  792.897  707.083   31.748  690.957   46.220 16.12598 56.07294 
1 1 1    7   11   26 o  120.694   9.3885  183.606   28.074  176.290   34.295  198.467   48.878  117.922   11.805  124.440   16.107 -6.518250 19.96980 
1 1 1    7   11   27 o  190.488   17.832  463.129   83.835  463.129   83.835   0.0000   0.0000  190.488   17.832  ?   ?  0.000000 17.83153 
1 1 1    7   11   28 f  159.704   17.478  326.629   68.566   0.0000   0.0000  326.629   68.566  ?   ?   159.704   17.478 0.000000 17.47787 
1 1 1    7   11   29 o  340.349   16.809  1466.19  142.864  1466.19  142.864   0.0000   0.0000  340.349   16.809  ?   ?  0.000000 16.80923 
1 1 1    7   11   30 o  487.170   18.347  3013.68  223.207  2950.16  273.270  3140.99  386.894  479.830   22.806  488.294   31.905 -8.464142 39.21769 
1 1 1    7   11   31 o  438.185   16.817  2432.65  184.019  2423.74  225.376  2450.46  318.729  435.753   20.712  432.318   29.704 3.435089 36.21171 
1 1 1    7   11   32 o  202.124   10.769  514.690   54.161  495.996   66.521  551.454   93.285  197.893   13.542  207.581   18.179 -9.688110 22.66885 
1 1 1    7   11   33 o  453.585   21.420  2634.11  242.626  2820.71  343.864  2449.09  342.392  463.161   29.890  429.773   32.136 33.38809 43.88763 
1 1 1    7   11   34 o  254.397   11.917  814.724   75.706  837.253   93.001  770.472  130.342  256.980   14.552  244.250   21.592 12.72957 26.03807 
1 1 1    7   11   35 o  324.418   13.769  1329.45  111.549  1311.30  136.787  1365.51  192.739  320.749   17.140  324.220   23.976 -3.470764 29.47203 
1 1 1    7   11   36 o  288.535   12.822  1051.02   92.382  1117.26  113.492  920.956  159.042  296.394   15.387  265.387   24.267 31.00714 28.73378 
1 1 1    7   11   37 o  263.496   12.419  877.172   81.719  863.550  100.379  903.943  140.721  260.151   15.522  263.613   21.566 -3.461273 26.57088 
1 1 1    7   11   38 o  139.884   20.738  258.613   70.247  258.613   70.247   0.0000   0.0000  139.884   20.738  ?   ?  0.000000 20.73791 
1 1 1    7   11   39 o  344.445   14.705  1515.93  126.483  1460.85  155.204  1624.84  218.249  335.386   18.604  348.209   25.271 -12.82346 31.38095 
1 1 1    7   11   40 o   52.522   16.813   35.154   24.939   33.866   31.549   37.299   40.719   53.693   18.923   58.071   21.362 -4.377251 28.53740 
1 1 1    7   11   41 o  106.281   13.078  146.708   33.977  161.845   43.232  122.253   54.949  110.660   16.118   93.332   23.571 17.32816 28.55475 
1 1 1    7   11   42 o  102.888   13.632  138.634   34.163  137.969   43.162  139.748   55.900  101.090   17.745   99.528   22.959 1.561241 29.01759 
1 1 1    7   11   43 o  142.789   14.655  267.806   51.516  302.853   74.328  235.407   71.466  148.574   20.587  129.323   22.971 19.25053 30.84616 
1 1 1    7   11   44 o  100.590   14.987  134.980   36.497  169.644   47.313   84.041   57.354  111.784   17.525   76.868   25.558 34.91663 30.98944 
1 1 1    7   11   45 f   97.610   16.389  129.585   38.532  160.269   50.522   86.914   59.577  107.049   19.622   77.302   26.052 29.74648 32.61481 
1 1 1    7   11   46 f   66.278   22.820   61.401   45.744   71.538   86.230   57.432   53.963   74.549   30.064   65.915   24.526 8.634789 38.79943 
1 1 1    7   12    0 o  226.554   19.367  649.102  108.517  649.102  108.517   0.0000   0.0000  226.554   19.367  ?   ?  0.000000 19.36728 
1 1 1    7   12    1 o  842.835   36.979  9054.22  778.310  9064.76  1100.34  9043.66  1101.05  832.840   53.185  831.792   53.288 1.047852 75.28794 
1 1 1    7   12    2 o  653.804   42.072  5503.19  683.246   0.0000   0.0000  5503.19  683.246  ?   ?   653.804   42.072 0.000000 42.07182 
1 1 1    7   12    3 o  329.707   23.942  1376.39  195.779  1376.39  195.779   0.0000   0.0000  329.707   23.942  ?   ?  0.000000 23.94207 
1 1 1    7   12    4 o  512.501   23.459  3307.67  300.230  3373.48  424.465  3241.78  424.714  514.365   33.224  503.955   33.946 10.41022 47.49897 
1 1 1    7   12    5 o  155.572   11.894  304.616   45.857  305.120   64.421  304.098   65.291  155.072   16.910  154.768   17.184 0.3042908 24.10865 
1 1 1    7   12    6 o  395.058   27.305  1980.05  267.722   0.0000   0.0000  1980.05  267.722  ?   ?   395.058   27.305 0.000000 27.30529 
1 1 1    7   12    7 o  601.650   26.949  4569.18  404.885  4661.37  572.633  4477.01  572.555  603.275   38.208  590.857   39.024 12.41718 54.61491 
1 1 1    7   12    8 o  417.052   15.699  2179.58  163.501  2063.29  199.934  2414.35  284.085  405.347   19.752  436.779   26.166 -31.43201 32.78422 
1 1 1    7   12    9 o  816.674   28.188  8422.41  574.864  8056.77  703.544  9156.92  997.162  796.172   35.386  841.576   47.644 -45.40405 59.34750 
1 1 1    7   12   10 o  188.900   10.003  447.408   47.018  497.042   57.533  347.598   81.586  198.994   11.628  165.172   20.201 33.82233 23.30898 
1 1 1    7   12   11 o  330.285   12.749  1365.08  105.154  1257.38  128.510  1583.27  182.920  316.349   16.323  354.462   20.756 -38.11334 26.40543 
1 1 1    7   12   12 o  800.230   50.868  8301.32  1011.22  8301.32  1011.22   0.0000   0.0000  800.230   50.868  ?   ?  0.000000 50.86771 
1 1 1    7   12   13 o  735.491   46.805  6974.13  855.176  6974.13  855.176   0.0000   0.0000  735.491   46.805  ?   ?  0.000000 46.80495 
1 1 1    7   12   14 o  1098.70   31.939 15273.94  876.288 16736.78  1240.86 13818.64  1237.66  1143.71   43.446  1036.60   47.813 107.1168 64.60370 
1 1 1    7   12   15 o  333.610   11.094  1391.90   92.423  1543.64  130.953  1241.28  130.462  351.094   14.936  314.284   16.683 36.80975 22.39207 
1 1 1    7   12   16 o  651.773   20.193  5333.38  328.655  5384.79  464.912  5282.03  464.665  653.131   28.505  646.803   28.769 6.327820 40.49888 
1 1 1    7   12   17 o  629.429   19.696  4973.67  309.588  4985.40  437.927  4961.96  437.720  628.455   27.905  626.963   27.958 1.492004 39.50082 
1 1 1    7   12   18 o  728.052   22.258  6667.23  404.663  7035.65  572.808  6300.17  571.754  745.408   30.773  704.810   32.485 40.59827 44.74647 
1 1 1    7   12   19 o  454.098   14.748  2583.73  167.238  2793.36  236.877  2375.39  236.145  471.448   20.120  433.957   21.861 37.49127 29.71118 
1 1 1    7   12   20 o  416.012   13.435  2167.95  139.566  2499.08  197.831  1839.85  196.924  446.112   17.758  381.834   20.730 64.27789 27.29647 
1 1 1    7   12   21 o  810.746   24.851  8311.03  503.127  8614.30  711.819  8008.26  711.239  820.524   34.740  790.411   36.034 30.11353 50.05296 
1 1 1    7   12   22 o  452.272   21.248  2580.92  239.976  2453.25  339.651  2708.18  339.104  437.241   31.315  460.121   29.671 -22.88034 43.13892 
1 1 1    7   12   23 o  513.308   23.567  3338.61  302.086  3368.56  427.746  3308.80  426.683  510.705   33.730  506.021   33.963 4.683807 47.86685 
1 1 1    7   12   24 o  338.551   14.065  1439.77  118.910  1374.96  145.524  1570.00  206.271  329.795   17.735  350.840   23.683 -21.04538 29.58719 
1 1 1    7   12   25 f  813.188   29.241  8503.89  593.795  8642.35  727.411  8227.33  1028.02  813.911   35.789  772.461   53.626 41.44958 64.47159 
1 1 1    7   12   26 o  346.737   13.689  1512.22  118.524  1520.61  145.237  1495.49  205.079  347.064   16.758  341.365   24.215 5.698517 29.44780 
1 1 1    7   12   27 o  238.904   11.013  716.377   65.704  677.996   80.436  793.336  113.901  231.638   13.971  249.597   18.404 -17.95888 23.10618 
1 1 1    7   12   28 o  181.746   10.040  415.599   45.390  387.812   55.600  471.120   78.595  175.119   12.803  192.356   16.522 -17.23700 20.90231 
1 1 1    7   12   29 o  283.641   21.936  1033.59  154.166  1033.59  154.166   0.0000   0.0000  283.641   21.936  ?   ?  0.000000 21.93603 
1 1 1    7   12   30 o  312.218   13.193  1227.77  102.862  1165.48  125.921  1352.70  178.327  302.962   16.709  324.476   22.140 -21.51398 27.73758 
1 1 1    7   12   31 o  170.020   10.089  364.085   42.644  331.639   52.270  428.666   73.744  161.751   13.052  183.344   16.276 -21.59198 20.86285 
1 1 1    7   12   32 o  309.925   13.175  1210.37  101.968  1182.53  124.954  1265.85  176.416  305.138   16.459  313.398   22.696 -8.259918 28.03573 
1 1 1    7   12   33 o  339.778   14.071  1457.15  119.388  1396.10  146.277  1578.96  206.623  331.082   17.757  349.476   23.818 -18.39386 29.70902 
1 1 1    7   12   34 f  121.560   13.053  188.381   39.002  187.843   57.209  188.848   53.313  119.835   19.809  120.551   18.283 -0.7155609 26.95726 
1 1 1    7   12   35 o  125.897   13.442  202.266   41.608  139.165   60.576  258.627   57.250  101.829   24.182  141.855   16.468 -40.02628 29.25668 
1 1 1    7   12   36 o  102.015   11.668  132.770   29.190  124.599   36.892  146.450   47.732   97.957   15.605  105.600   18.789 -7.643059 24.42469 
1 1 1    7   12   37 o  386.482   15.604  1898.87  150.601  1932.08  184.976  1833.58  259.375  388.135   19.085  371.500   28.168 16.63504 34.02467 
1 1 1    7   12   38 o  101.294   12.511  131.743   30.974  137.468   39.114  122.116   50.720  102.713   15.752   95.158   21.811 7.555138 26.90433 
1 1 1    7   12   39 o  326.188   13.955  1355.32  113.670  1452.08  140.102  1168.94  194.446  336.203   16.688  294.305   26.750 41.89789 31.52805 
1 1 1    7   12   40 o  180.171   21.343  432.924   94.161  432.924   94.161   0.0000   0.0000  180.171   21.343  ?   ?  0.000000 21.34324 
1 1 1    7   12   41 o  168.486   11.558  362.977   48.335  406.714   60.863  288.286   79.535  177.513   13.839  145.240   22.670 32.27271 26.56012 
1 1 1    7   12   42 o  189.824   11.767  462.156   55.503  520.396   69.706  361.266   91.744  200.384   14.018  161.515   23.430 38.86839 27.30379 
1 1 1    7   12   43 o  267.483   13.056  922.587   87.205  966.748  108.501  842.006  146.566  271.183   16.094  245.417   24.232 25.76625 29.08956 
1 1 1    7   12   44 o   39.314   17.037  -0.9247   30.882 -23.5215   45.445   18.464   42.095   42.067   19.252   50.995   20.843 -8.927658 28.37356 
1 1 1    7   12   45 o   61.239   19.338   51.243   33.081   48.189   44.455   55.034   49.521   61.698   22.377   65.175   23.620 -3.477215 32.53664 
1 1 1    7   12   46 o  166.926   22.876  401.089   92.848   0.0000   0.0000  401.089   92.848  ?   ?   166.926   22.876 0.000000 22.87564 
1 1 1    7   13    0 o  613.806   27.473  4756.95  421.109  4770.62  595.127  4743.24  595.951  609.993   39.278  608.163   39.454 1.829956 55.67204 
1 1 1    7   13    2 o  537.374   35.128  3686.41  468.790  3686.41  468.790   0.0000   0.0000  537.374   35.128  ?   ?  0.000000 35.12754 
1 1 1    7   13    3 o  344.792   17.353  1494.70  148.932  1511.41  210.194  1477.86  211.052  345.536   24.519  341.584   24.914 3.952209 34.95573 
1 1 1    7   13    4 o  826.276   36.127  8689.77  745.429  9150.29  1054.76  8230.24  1053.63  838.920   50.585  793.638   53.475 45.28229 73.60999 
1 1 1    7   13    5 o  461.742   21.508  2680.30  247.997  2745.21  350.529  2615.25  350.914  464.784   30.368  453.386   31.184 11.39789 43.52760 
1 1 1    7   13    6 o  435.762   20.521  2385.59  223.304  2489.19  315.701  2281.87  315.898  442.933   28.697  423.676   30.053 19.25674 41.55337 
1 1 1    7   13    7 o  226.004   19.365  645.847  108.235   0.0000   0.0000  645.847  108.235  ?   ?   226.004   19.365 0.000000 19.36489 
1 1 1    7   13    8 o  393.673   18.942  1944.94  186.215  2056.78  263.327  1833.05  263.369  403.052   26.307  380.056   27.946 22.99573 38.38038 
1 1 1    7   13    9 o  404.225   15.219  2046.81  153.627  1942.69  187.827  2257.24  267.020  393.441   19.117  422.529   25.425 -29.08722 31.81057 
1 1 1    7   13   10 o  578.792   20.775  4207.70  300.276  4043.10  367.433  4538.68  521.029  566.414   25.977  596.874   35.111 -30.46045 43.67623 
1 1 1    7   13   11 o  626.907   22.328  4940.36  349.544  4703.32  427.645  5417.50  606.728  610.496   28.051  651.507   37.450 -41.01086 46.79092 
1 1 1    7   13   12 o  261.204   11.781  853.471   76.844  898.725   94.014  762.382  133.381  267.561   14.121  245.339   22.005 22.22162 26.14595 
1 1 1    7   13   13 o  318.043   23.295  1278.78  183.726  1278.78  183.726   0.0000   0.0000  318.043   23.295  ?   ?  0.000000 23.29522 
1 1 1    7   13   14 o  554.101   20.370  3854.89  281.862  3899.17  345.171  3766.26  488.306  556.526   24.837  543.318   36.198 13.20715 43.89925 
1 1 1    7   13   15 o  790.000   27.901  7875.06  550.418  7715.15  673.893  8195.54  954.001  779.739   34.609  796.356   48.199 -16.61688 59.33781 
1 1 1    7   13   16 o  168.995   9.9234  358.310   41.694  385.555   50.963  303.160   72.508  175.166   11.718  154.245   19.243 20.92133 22.53030 
1 1 1    7   13   17 o  281.655   9.9789  991.945   70.186  1091.89   99.496  892.949   99.023  295.326   13.491  266.577   14.935 28.74942 20.12650 
1 1 1    7   13   18 o  647.713   20.228  5271.59  327.184  5243.91  462.765  5299.26  462.651  643.928   28.779  647.363   28.619 -3.435364 40.58655 
1 1 1    7   13   19 o  188.164   8.2676  442.587   38.848  492.874   55.328  393.689   54.559  198.154   11.227  176.904   12.429 21.24936 16.74922 
1 1 1    7   13   20 o  977.326   29.665 12124.68  723.985 12721.78  1024.56 11529.19  1023.18  993.501   41.297  944.254   43.392 49.24689 59.90269 
1 1 1    7   13   21 o  500.280   15.402  3140.76  192.416  3490.08  272.581  2793.82  271.655  526.292   20.740  470.358   23.128 55.93375 31.06556 
1 1 1    7   13   22 o  526.088   16.811  3479.28  220.847  3397.36  312.134  3561.40  312.516  518.001   24.130  530.522   23.589 -12.52094 33.74504 
1 1 1    7   13   23 o  296.085   12.773  1099.49   94.437  1094.25  115.696  1109.97  163.474  294.619   15.783  295.335   22.331 -0.7164307 27.34524 
1 1 1    7   13   24 o  321.762   16.581  1307.19  132.776  1297.98  188.489  1316.26  187.068  318.746   23.853  321.102   23.493 -2.356476 33.47962 
1 1 1    7   13   25 o  290.293   15.176  1063.64  109.632  1160.36  156.195  969.726  153.915  301.836   20.851  275.321   22.586 26.51443 30.73850 
1 1 1    7   13   26 o  306.089   12.767  1177.41   97.590  1160.72  119.624  1210.63  168.744  302.978   15.866  307.654   22.112 -4.675934 27.21506 
1 1 1    7   13   27 f  334.419   24.482  1439.81  203.034   0.0000   0.0000  1439.81  203.034  ?   ?   334.419   24.482 0.000000 24.48249 
1 1 1    7   13   28 o  179.151   12.353  405.447   54.928  405.447   54.928   0.0000   0.0000  179.151   12.353  ?   ?  0.000000 12.35328 
1 1 1    7   13   29 o  256.422   11.770  826.494   75.367  799.229   92.388  880.733  130.308  251.251   14.790  262.325   20.044 -11.07431 24.90995 
1 1 1    7   13   30 o  319.932   13.297  1289.37  106.231  1277.97  130.234  1312.03  183.636  317.354   16.490  319.098   23.204 -1.743469 28.46695 
1 1 1    7   13   31 o  258.147   20.954  856.138  133.915  856.138  133.915   0.0000   0.0000  258.147   20.954  ?   ?  0.000000 20.95447 
1 1 1    7   13   32 o  131.429   10.083  218.090   32.841  157.152   40.476  335.496   56.182  110.548   15.054  162.500   13.981 -51.95181 20.54461 
1 1 1    7   13   33 o  239.514   11.546  721.495   69.057  702.152   84.905  759.300  118.696  235.356   14.517  243.286   19.707 -7.930450 24.47660 
1 1 1    7   13   34 o   84.674   11.985   91.997   24.634   77.253   31.256  116.174   40.023   76.597   16.803   94.163   17.670 -17.56670 24.38341 
1 1 1    7   13   35 o  185.893   10.986  436.077   50.773  403.474   62.829  497.441   86.197  178.131   14.244  197.003   17.711 -18.87177 22.72761 
1 1 1    7   13   36 o  258.065   14.998  846.412   96.237  845.451  137.393  847.338  134.842  255.478   21.743  255.955   21.290 -0.4763336 30.43008 
1 1 1    7   13   37 o  473.614   18.122  2867.83  214.326  2994.26  263.271  2619.39  369.054  481.353   21.902  438.971   33.930 42.38190 40.38541 
1 1 1    7   13   38 o  125.275   11.340  199.656   35.092  211.587   44.738  180.575   56.575  128.340   14.197  116.773   20.128 11.56776 24.63124 
1 1 1    7   13   39 o  335.180   14.136  1430.93  118.317  1503.99  145.936  1290.81  202.112  342.081   17.084  309.993   26.359 32.08844 31.41112 
1 1 1    7   13   40 o  207.407   11.552  547.271   59.595  568.539   74.568  509.673   99.146  210.395   14.277  196.257   20.534 14.13727 25.00997 
1 1 1    7   13   41 o   60.501   23.936   32.333   53.613   32.333   53.613   0.0000   0.0000   60.501   23.936  ?   ?  0.000000 23.93619 
1 1 1    7   13   42 o  118.870   16.174  186.916   46.763  222.152   73.983  163.471   60.347  125.688   24.452  108.072   23.064 17.61578 33.61270 
1 1 1    7   13   43 o   88.083   15.914  104.123   33.715   87.037   45.272  125.399   50.520   78.688   22.119   94.440   21.855 -15.75214 31.09451 
1 1 1    7   13   44 o   93.660   15.622  117.614   35.250  134.345   47.933   97.909   52.019   98.203   20.220   82.537   23.878 15.66553 31.28905 
1 1 1    7   13   45 o   49.120   18.627   25.609   31.444   13.943   44.824   36.912   44.121   50.575   21.166   57.623   22.014 -7.048473 30.53846 
1 1 1    7   13   46 o   86.338   25.057  111.884   57.199   0.0000   0.0000  111.884   57.199  ?   ?    86.338   25.057 0.000000 25.05673 
1 1 1    7   14    0 o  359.520   17.197  1621.14  154.392  1390.02  216.961  1858.23  219.752  330.868   26.481  383.556   23.050 -52.68716 35.10755 
1 1 1    7   14    1 o  674.812   29.749  5761.40  501.302  5483.90  707.923  6040.52  709.978  652.077   43.728  685.487   41.674 -33.41003 60.40545 
1 1 1    7   14    2 o  172.437   12.613  374.120   53.934  387.004   74.649  360.049   78.012  174.818   17.328  168.328   18.885 6.490021 25.62975 
1 1 1    7   14    3 o  419.602   28.565  2234.73  297.535  2234.73  297.535   0.0000   0.0000  419.602   28.565  ?   ?  0.000000 28.56549 
1 1 1    7   14    4 o  536.772   24.339  3628.81  326.249  3561.20  460.802  3696.77  461.973  528.183   35.137  538.378   34.544 -10.19489 49.27388 
1 1 1    7   14    5 o  162.305   11.917  331.362   47.963  289.275   66.618  376.655   69.109  150.791   18.050  172.600   16.225 -21.80859 24.27042 
1 1 1    7   14    6 o  945.406   41.186 11434.07  972.352 11005.12  1374.06 11864.34  1376.17  913.162   60.601  950.168   58.281 -37.00531 84.07809 
1 1 1    7   14    7 o  915.581   39.671 10703.13  907.031 10031.53  1281.28 11377.78  1284.19  873.015   59.121  932.866   55.374 -59.85089 81.00370 
1 1 1    7   14    8 o  397.190   27.417  1999.92  270.273   0.0000   0.0000  1999.92  270.273  ?   ?   397.190   27.417 0.000000 27.41709 
1 1 1    7   14    9 o  501.874   22.986  3168.19  288.082  3143.46  406.966  3193.03  407.853  496.943   32.982  500.918   32.786 -3.975372 46.50521 
1 1 1    7   14   10 o  339.098   17.156  1445.23  144.805  1539.29  204.550  1350.74  205.021  348.989   23.610  326.501   25.344 22.48801 34.63773 
1 1 1    7   14   11 o  235.933   9.8982  695.960   58.317  584.879   70.824  929.842  102.769  215.771   13.208  272.042   15.188 -56.27022 20.12797 
1 1 1    7   14   12 o  930.358   32.682 10965.69  759.298 10790.14  929.628 11317.51  1316.04  919.336   40.493  930.099   56.936 -10.76233 69.86711 
1 1 1    7   14   13 o  213.465   10.869  571.345   57.749  660.768   70.533  389.499  100.582  229.474   12.354  174.385   23.712 55.08846 26.73738 
1 1 1    7   14   14 o  459.741   30.669  2684.91  350.079  2684.91  350.079   0.0000   0.0000  459.741   30.669  ?   ?  0.000000 30.66911 
1 1 1    7   14   15 o  356.558   14.320  1592.00  127.507  1605.80  156.012  1564.24  221.283  357.848   17.459  351.458   25.384 6.389771 30.80799 
1 1 1    7   14   16 o  285.931   12.335  1023.08   88.072  1068.95  107.758  930.799  152.850  291.751   14.840  271.068   22.792 20.68286 27.19737 
1 1 1    7   14   17 o  548.778   20.165  3783.76  276.347  3898.93  338.536  3553.76  478.417  556.271   24.371  526.909   36.586 29.36212 43.96020 
1 1 1    7   14   18 o  511.637   18.915  3287.70  241.672  3317.19  296.018  3228.75  418.499  513.191   23.099  502.840   33.520 10.35019 40.70836 
1 1 1    7   14   19 o  529.432   18.787  3522.04  248.377  3530.03  304.317  3506.08  429.870  529.194   23.028  523.807   33.033 5.386658 40.26741 
1 1 1    7   14   20 o  378.103   12.851  1790.92  121.336  1787.32  171.679  1794.51  171.512  377.094   18.231  377.859   18.177 -0.7658691 25.74434 
1 1 1    7   14   21 o  359.938   10.080  1621.30   90.606  1833.77  128.574  1411.70  127.703  382.456   13.462  335.375   15.248 47.08099 20.34070 
1 1 1    7   14   22 o  669.906   20.565  5663.19  344.032  5391.39  486.167  5935.81  486.904  649.790   29.961  682.496   28.569 -32.70575 41.39877 
1 1 1    7   14   23 o  373.373   14.806  1751.53  138.046  1590.06  168.933  2076.06  239.495  354.504   19.154  403.823   23.855 -49.31885 30.59333 
1 1 1    7   14   24 o  293.891   12.607  1083.99   92.523  1038.76  113.363  1174.24  160.124  286.833   15.889  303.742   21.244 -16.90976 26.52876 
1 1 1    7   14   25 o  456.583   17.376  2631.67  198.116  2549.90  242.611  2795.32  343.234  448.073   21.683  464.847   29.724 -16.77451 36.79208 
1 1 1    7   14   26 o  152.582   8.8835  292.600   33.702  275.511   41.603  325.222   57.481  147.728   11.365  160.063   14.539 -12.33513 18.45402 
1 1 1    7   14   27 o  322.186   16.653  1315.31  133.523  1316.38  189.675  1314.27  187.996  319.859   23.920  319.681   23.719 0.1784973 33.68570 
1 1 1    7   14   28 o  129.940   9.2272  212.712   29.746  181.521   36.860  270.954   50.370  119.494   12.540  145.995   13.987 -26.50056 18.78517 
1 1 1    7   14   29 o  161.998   10.049  330.535   40.451  299.841   49.943  389.071   68.971  153.773   13.132  174.736   15.983 -20.96271 20.68599 
1 1 1    7   14   30 o  297.377   12.871  1113.40   95.579  1078.20  117.277  1183.01  164.938  291.511   16.174  303.426   21.915 -11.91489 27.23747 
1 1 1    7   14   31 o  165.189   10.229  343.851   41.990  329.289   51.937  371.331   71.348  161.180   13.015  170.374   16.997 -9.194092 21.40715 
1 1 1    7   14   32 o  102.066   10.402  132.150   26.141  121.347   32.960  150.467   42.918   97.115   13.995  107.825   16.461 -10.70997 21.60607 
1 1 1    7   14   33 o  247.997   20.960  791.497  128.590  791.497  128.590   0.0000   0.0000  247.997   20.960  ?   ?  0.000000 20.96029 
1 1 1    7   14   34 o  118.272   10.647  177.178   31.109  185.635   39.449  163.270   50.592  120.614   13.320  111.803   18.787 8.810974 23.02979 
1 1 1    7   14   35 o  337.938   14.209  1443.13  119.905  1409.65  147.354  1508.75  206.287  332.415   17.816  340.823   24.399 -8.407379 30.21150 
1 1 1    7   14   36 o  201.565   11.330  513.058   56.800  493.721   70.689  548.290   95.417  197.018   14.469  206.447   18.712 -9.429581 23.65341 
1 1 1    7   14   37 o  423.109   16.624  2279.69  175.645  2334.06  215.952  2173.41  301.914  426.092   20.296  403.284   30.199 22.80881 36.38500 
1 1 1    7   14   38 o  289.902   16.063  1074.97  115.833  1087.98  165.473  1062.47  162.201  287.991   23.206  284.689   23.012 3.302032 32.68153 
1 1 1    7   14   39 o  202.113   11.597  518.415   58.288  536.849   73.478  487.125   95.733  204.781   14.462  192.773   20.186 12.00836 24.83179 
1 1 1    7   14   40 o  124.783   11.888  199.303   36.596  201.996   47.687  195.445   57.077  124.530   15.683  121.127   19.535 3.402901 25.05087 
1 1 1    7   14   41 o   70.842   16.298   67.384   28.233   52.973   38.853   83.508   41.096   64.010   21.024   78.101   20.727 -14.09095 29.52332 
1 1 1    7   14   42 o   68.598   16.913   63.767   28.789   51.994   40.066   76.335   41.395   63.483   21.364   74.439   21.230 -10.95623 30.11865 
1 1 1    7   14   43 o   63.279   25.961   31.219   65.614   31.219   65.614   0.0000   0.0000   63.279   25.961  ?   ?  0.000000 25.96070 
1 1 1    7   14   44 o   53.172   18.642   34.751   30.596  -3.8169   44.494   69.346   42.140   46.033   20.189   70.679   21.749 -24.64626 29.67543 
1 1 1    7   14   45 o   44.258   18.661   7.3580   35.262   19.984   81.577   4.4569   39.104   64.537   27.828   45.332   19.402 19.20549 33.92412 
1 1 1    7   15    0 o  202.377   19.205  518.977   95.897   0.0000   0.0000  518.977   95.897  ?   ?   202.377   19.205 0.000000 19.20548 
1 1 1    7   15    1 o  451.898   30.369  2598.00  340.716  2598.00  340.716   0.0000   0.0000  451.898   30.369  ?   ?  0.000000 30.36911 
1 1 1    7   15    2 o  463.925   21.620  2706.74  250.465  2712.10  353.533  2701.33  354.894  461.690   30.841  460.720   31.028 0.9705505 43.74819 
1 1 1    7   15    3 o  355.251   17.577  1583.17  155.927  1553.42  219.551  1613.45  221.492  350.141   25.280  356.929   25.008 -6.788055 35.55917 
1 1 1    7   15    4 o  590.905   38.237  4472.58  561.207  4472.58  561.207   0.0000   0.0000  590.905   38.237  ?   ?  0.000000 38.23746 
1 1 1    7   15    5 o  638.338   28.288  5148.15  450.918  4940.01  636.822  5357.43  638.571  619.899   41.376  646.365   39.755 -26.46588 57.37974 
1 1 1    7   15    6 o  786.767   34.588  7864.74  679.555  7950.89  960.696  7778.47  961.378  782.680   49.407  773.749   50.024 8.931641 70.30910 
1 1 1    7   15    7 o  888.116   38.878 10065.05  862.238 10099.91  1218.95 10030.13  1219.82  878.110   55.879  874.877   56.130 3.232910 79.20303 
1 1 1    7   15    8 o  105.129   11.580  139.931   29.896  120.774   41.082  161.495   43.587   96.638   17.675  112.411   15.977 -15.77299 23.82582 
1 1 1    7   15    9 o  376.205   26.352  1793.17  246.006   0.0000   0.0000  1793.17  246.006  ?   ?   376.205   26.352 0.000000 26.35246 
1 1 1    7   15   10 o  467.302   21.686  2744.83  253.066  2750.61  357.400  2739.02  358.380  465.211   30.941  464.182   31.097 1.028503 43.86803 
1 1 1    7   15   11 o  314.947   16.363  1246.53  128.251  1300.98  180.885  1191.49  181.866  320.830   22.725  306.758   23.931 14.07257 33.00126 
1 1 1    7   15   12 o  436.556   15.986  2388.24  174.273  2164.86  212.861  2842.38  303.510  415.150   20.532  474.215   25.726 -59.06482 32.91526 
1 1 1    7   15   13 o  246.772   11.081  761.692   68.285  710.719   83.117  867.525  119.767  237.833   14.057  262.319   18.400 -24.48615 23.15524 
1 1 1    7   15   14 o  681.824   43.630  5987.88  738.964  5987.88  738.964   0.0000   0.0000  681.824   43.630  ?   ?  0.000000 43.62989 
1 1 1    7   15   15 o  413.781   15.937  2145.91  164.676  2099.43  201.386  2239.72  286.084  408.863   19.724  420.310   27.407 -11.44696 33.76640 
1 1 1    7   15   16 o  956.716   33.878 11632.81  809.388 11835.40  991.393 11227.88  1401.62  960.906   41.316  919.990   61.361 40.91583 73.97430 
1 1 1    7   15   17 o  286.463   12.411  1027.21   88.781  1076.15  108.559  928.363  154.275  292.670   14.903  270.540   23.056 22.12958 27.45286 
1 1 1    7   15   18 o  347.085   14.035  1509.40  121.648  1600.57  148.981  1327.01  210.722  357.155   16.704  322.993   26.355 34.16187 31.20298 
1 1 1    7   15   19 o  252.147   11.224  795.770   70.671  812.344   86.553  762.622  122.405  254.244   13.683  245.368   20.155 8.875900 24.36093 
1 1 1    7   15   20 o  180.746   11.452  410.683   51.421  553.791   72.870  268.737   72.573  209.699   13.996  144.622   20.684 65.07692 24.97444 
1 1 1    7   15   21 o  334.216   15.914  1403.12  132.814  1817.61  188.109  991.101  187.548  379.235   19.933  277.993   27.371 101.2418 33.86037 
1 1 1    7   15   22 o  243.858   19.683  754.919  118.838  754.919  118.838   0.0000   0.0000  243.858   19.683  ?   ?  0.000000 19.68268 
1 1 1    7   15   23 o  542.974   35.981  3839.01  485.102  3839.01  485.102   0.0000   0.0000  542.974   35.981  ?   ?  0.000000 35.98084 
1 1 1    7   15   24 o  349.557   24.971  1565.33  216.536  1565.33  216.536   0.0000   0.0000  349.557   24.971  ?   ?  0.000000 24.97056 
1 1 1    7   15   25 o  485.690   18.014  2981.59  218.478  2706.53  267.345  3534.62  379.085  460.301   23.335  522.973   29.143 -62.67270 37.33396 
1 1 1    7   15   26 o  356.677   25.515  1639.17  225.762   0.0000   0.0000  1639.17  225.762  ?   ?   356.677   25.515 0.000000 25.51538 
1 1 1    7   15   27 o  170.874   9.8690  367.367   41.932  362.507   51.662  376.750   71.786  169.379   12.298  171.798   16.954 -2.418747 20.94473 
1 1 1    7   15   28 o  291.218   12.721  1067.02   92.513  1033.61  113.534  1133.04  159.596  285.565   15.985  297.222   21.651 -11.65714 26.91307 
1 1 1    7   15   29 o  515.104   19.125  3372.64  246.007  3537.16  301.703  3046.25  424.949  525.450   22.993  477.927   35.868 47.52301 42.60486 
1 1 1    7   15   30 o  514.332   23.768  3397.87  305.278  3528.35  432.791  3268.66  430.673  515.919   33.779  495.413   35.038 20.50571 48.66937 
1 1 1    7   15   31 o  336.496   13.667  1427.54  114.844  1502.91  141.187  1280.14  197.436  344.532   16.410  314.042   25.393 30.49045 30.23437 
1 1 1    7   15   32 o  256.845   12.140  830.151   77.865  765.080   95.863  956.332  133.491  245.446   15.723  273.283   19.693 -27.83754 25.19956 
1 1 1    7   15   33 o  209.151   11.188  551.469   58.222  519.711   72.059  611.182   98.811  202.389   14.351  218.533   18.274 -16.14482 23.23565 
1 1 1    7   15   34 o  211.360   11.371  563.482   59.794  516.900   74.127  650.244  101.166  201.684   14.822  225.420   18.125 -23.73541 23.41388 
1 1 1    7   15   35 f  313.642   24.280  1278.26  188.685  1278.26  188.685   0.0000   0.0000  313.642   24.280  ?   ?  0.000000 24.27999 
1 1 1    7   15   36 o  243.680   12.090  748.381   73.569  713.945   91.250  812.338  124.356  236.813   15.516  251.126   19.996 -14.31355 25.30973 
1 1 1    7   15   37 o  174.202   11.436  384.042   49.471  332.953   62.346  470.896   81.290  161.164   15.690  191.469   17.184 -30.30536 23.27001 
1 1 1    7   15   38 o  252.356   12.446  805.304   78.431  768.326   97.511  873.062  131.996  244.992   16.027  259.224   20.560 -14.23215 26.06835 
1 1 1    7   15   39 o   98.585   13.081  125.403   31.409  122.359   42.520  129.059   46.599   95.952   18.415   98.246   19.680 -2.293961 26.95200 
1 1 1    7   15   40 o   89.896   16.156  106.795   34.934   79.560   55.852  124.296   44.774   77.577   25.194   96.199   19.309 -18.62124 31.74215 
1 1 1    7   15   41 o   88.738   14.608  103.561   31.243  108.611   43.644   98.253   44.747   89.262   20.067   84.583   21.220 4.679344 29.20625 
1 1 1    7   15   42 f  218.145   12.227  609.935   66.339  644.605   84.620  554.646  106.860  222.668   15.311  202.666   21.440 20.00200 26.34619 
1 1 1    7   15   43 o   70.152   17.579   67.249   30.732   62.882   44.816   71.125   42.223   68.492   22.584   71.819   21.705 -3.327263 31.32325 
1 1 1    7   15   44 o  145.309   12.999  274.364   46.672  297.319   63.508  247.408   68.820  149.105   17.383  133.670   21.334 15.43430 27.51931 
1 1 1    7   16    1 o  507.844   23.141  3249.87  293.472  3116.23  413.855  3385.05  416.221  493.669   33.774  515.042   32.529 -21.37341 46.89113 
1 1 1    7   16    2 o  178.925   12.634  402.771   56.087  396.425   77.517  409.743   81.251  176.840   17.795  179.729   18.361 -2.888824 25.56982 
1 1 1    7   16    3 o  272.850   14.845  935.600  100.765  887.492  141.137  985.615  143.909  264.757   21.534  279.225   20.788 -14.46890 29.93053 
1 1 1    7   16    4 o  390.468   18.893  1914.47  184.220  1917.41  259.616  1911.49  261.446  388.747   26.909  388.087   27.149 0.6598511 38.22466 
1 1 1    7   16    5 o  343.970   24.645  1498.71  210.283  1498.71  210.283   0.0000   0.0000  343.970   24.645  ?   ?  0.000000 24.64456 
1 1 1    7   16    6 o  662.208   29.465  5548.54  487.244  5629.65  688.596  5467.21  689.539  661.367   41.910  651.388   42.626 9.979858 59.77810 
1 1 1    7   16    7 o  249.755   13.911  783.544   86.419  708.020  120.880  862.499  123.595  236.475   20.678  261.420   19.064 -24.94489 28.12507 
1 1 1    7   16    8 o  653.145   28.665  5392.56  467.534  5024.87  659.972  5762.97  662.421  624.565   42.569  670.337   39.750 -45.77191 58.24220 
1 1 1    7   16    9 o  830.108   36.428  8775.16  755.129  8863.54  1067.52  8686.65  1068.31  824.460   52.119  815.760   52.724 8.699707 74.13695 
1 1 1    7   16   10 o  353.032   25.210  1578.69  220.784   0.0000   0.0000  1578.69  220.784  ?   ?   353.032   25.210 0.000000 25.20972 
1 1 1    7   16   11 o  897.487   38.786 10283.98  869.262  9547.19  1227.61 11024.88  1231.04  851.489   58.081  918.502   53.907 -67.01288 79.24252 
1 1 1    7   16   12 o  471.210   21.179  2791.13  249.213  2500.33  351.125  3086.32  353.769  442.998   31.955  493.277   28.845 -50.27890 43.04829 
1 1 1    7   16   13 o  159.489   9.7925  319.263   38.812  340.836   46.895  272.354   69.152  164.656   11.477  146.006   19.450 18.65063 22.58379 
1 1 1    7   16   14 o  148.068   8.9416  275.081   32.906  221.650   39.360  399.144   59.976  132.546   12.022  178.023   13.594 -45.47676 18.14747 
1 1 1    7   16   15 o  324.728   23.560  1335.20  189.748  1335.20  189.748   0.0000   0.0000  324.728   23.560  ?   ?  0.000000 23.55990 
1 1 1    7   16   16 o  540.360   19.916  3670.16  268.736  3639.50  328.857  3731.79  466.247  537.179   24.515  540.172   34.749 -2.993408 42.52651 
1 1 1    7   16   17 o  241.020   11.065  726.909   66.594  712.933   81.104  755.829  116.670  238.163   13.695  244.481   19.266 -6.317764 23.63750 
1 1 1    7   16   18 o  399.372   15.609  2000.90  155.674  2027.63  190.478  1947.12  270.156  401.578   18.994  391.023   27.849 10.55441 33.70979 
1 1 1    7   16   19 o  958.758   34.132 11760.42  817.192 11645.96  1000.65 11989.62  1415.99  948.011   42.269  942.603   60.475 5.407349 73.78272 
1 1 1    7   16   20 o  427.538   29.013  2337.03  307.926  2337.03  307.926   0.0000   0.0000  427.538   29.013  ?   ?  0.000000 29.01345 
1 1 1    7   16   28 o  373.032   18.290  1765.48  170.380  1754.03  241.163  1776.90  240.746  367.809   26.433  370.327   26.202 -2.518585 37.21886 
1 1 1    7   16   29 o  255.285   11.527  819.120   73.484  815.900   90.356  825.408  126.284  253.941   14.307  253.821   20.088 0.1202087 24.66194 
1 1 1    7   16   30 o  194.425   10.745  476.209   51.967  424.162   64.145  575.615   88.648  182.840   14.159  212.530   16.841 -29.68929 22.00229 
1 1 1    7   16   31 o  161.311   10.076  327.889   40.387  326.717   50.531  329.962   67.201  160.592   12.704  160.484   17.029 0.1081390 21.24546 
1 1 1    7   16   32 o   89.005   13.602  102.119   29.272   75.216   46.644  119.597   37.597   76.064   22.774   95.917   16.279 -19.85278 27.99392 
1 1 1    7   16   33 o  200.509   11.299  507.090   56.342  439.836   69.987  630.947   94.977  185.908   15.209  222.343   17.241 -36.43564 22.99004 
1 1 1    7   16   34 o  203.031   11.450  520.170   57.813  460.770   71.999  627.986   97.000  190.243   15.284  221.624   17.674 -31.38075 23.36613 
1 1 1    7   16   35 o  114.204   11.620  165.821   32.676  119.423   42.417  233.546   51.246   95.281   18.494  134.951   15.487 -39.67035 24.12245 
1 1 1    7   16   36 o  132.079   11.463  221.270   37.432  183.306   48.369  277.954   59.104  118.994   16.740  147.076   16.370 -28.08195 23.41416 
1 1 1    7   16   37 o  172.214   21.123  387.217   88.937  387.217   88.937   0.0000   0.0000  172.214   21.123  ?   ?  0.000000 21.12349 
1 1 1    7   16   38 o  292.617   13.361  1084.81   97.635  1058.98  121.253  1132.42  164.649  287.377   16.972  294.294   22.576 -6.916443 28.24393 
1 1 1    7   16   39 o   76.205   15.422   76.695   28.340   42.581   40.049  110.909   40.108   60.394   21.316   91.303   18.229 -30.90821 28.04805 
1 1 1    7   16   40 o  188.386   11.735  451.689   54.933  450.896   70.325  452.931   87.982  187.034   15.188  185.731   19.249 1.302551 24.51951 
1 1 1    7   16   41 o  144.077   12.109  266.004   43.162  240.525   57.006  300.231   66.072  135.162   17.285  150.966   17.873 -15.80379 24.86436 
1 1 1    7   16   42 o  217.238   14.604  611.248   78.761  610.761  115.135  611.677  107.980  212.413   22.026  213.675   20.488 -1.262100 30.08141 
1 1 1    7   16   43 o  110.600   14.224  160.472   38.374  131.336   54.548  189.020   53.995   96.431   22.979  118.154   18.940 -21.72290 29.77809 
1 1 1    7   16   44 o  211.246   12.592  576.248   66.125  621.207   86.823  514.150  102.039  217.103   16.130  193.542   21.475 23.56038 26.85765 
1 1 1    7   16   45 o   71.842   22.214   72.392   43.899   0.0000   0.0000   72.392   43.899  ?   ?    71.842   22.214 0.000000 22.21368 
1 1 1    7   17    0 o  545.479   24.994  3763.25  340.453  3928.17  480.741  3597.33  482.208  552.902   34.999  528.231   36.786 24.67120 50.77531 
1 1 1    7   17    1 o  242.852   20.670  747.769  124.159   0.0000   0.0000  747.769  124.159  ?   ?   242.852   20.670 0.000000 20.66977 
1 1 1    7   17    2 o  433.789   19.289  2365.85  208.947  1956.65  293.437  2786.74  297.600  391.422   30.255  468.918   25.511 -77.49625 39.57509 
1 1 1    7   17    3 o  144.768   12.101  264.184   43.345  243.042   58.772  289.398   64.183  138.065   17.435  150.857   17.354 -12.79208 24.59953 
1 1 1    7   17    4 o  229.445   13.824  661.886   78.836  665.420  110.009  658.154  113.035  229.300   19.394  227.928   20.064 1.371674 27.90489 
1 1 1    7   17    5 o  185.863   12.561  434.444   57.957  405.820   80.000  466.060   84.078  178.877   18.161  191.882   17.748 -13.00505 25.39341 
1 1 1    7   17    6 o  381.725   26.568  1849.38  251.678  1849.38  251.678   0.0000   0.0000  381.725   26.568  ?   ?  0.000000 26.56801 
1 1 1    7   17    7 o  476.554   22.199  2858.59  264.177  2968.46  372.943  2747.93  374.267  482.811   31.098  464.036   32.504 18.77533 44.98397 
1 1 1    7   17    8 o  693.415   30.769  6096.07  532.794  6185.54  752.936  6006.35  754.034  691.866   43.806  681.335   44.563 10.53094 62.48886 
1 1 1    7   17    9 o  238.154   14.072  712.896   83.317  738.436  116.606  686.256  119.090  241.679   19.487  232.733   20.708 8.945496 28.43476 
1 1 1    7   17   10 o  428.482   20.362  2307.73  217.873  2383.36  307.388  2231.37  308.856  433.148   28.579  418.754   29.729 14.39444 41.23787 
1 1 1    7   17   11 o  785.608   50.363  8051.27  982.820   0.0000   0.0000  8051.27  982.820  ?   ?   785.608   50.363 0.000000 50.36289 
1 1 1    7   17   12 o  510.621   23.149  3284.06  295.172  3146.21  416.380  3423.31  418.499  496.272   33.800  518.187   32.506 -21.91583 46.89413 
1 1 1    7   17   13 o  528.334   23.924  3518.53  315.642  3421.26  445.409  3616.65  447.369  517.205   34.687  532.129   33.842 -14.92450 48.46135 
1 1 1    7   17   14 o  325.375   16.485  1331.38  133.509  1294.94  187.685  1368.72  189.955  319.661   23.681  328.766   23.288 -9.105621 33.21288 
1 1 1    7   17   15 o  182.089   10.127  416.019   45.867  472.600   55.556  294.890   81.287  193.984   11.520  151.470   22.145 42.51407 24.96209 
1 1 1    7   17   16 o  317.818   23.211  1280.46  182.941  1280.46  182.941   0.0000   0.0000  317.818   23.211  ?   ?  0.000000 23.21106 
1 1 1    7   17   17 o  270.897   11.714  918.793   79.246  891.482   96.530  975.244  138.781  266.247   14.574  277.638   20.154 -11.39063 24.87173 
1 1 1    7   17   18 o  114.910   8.4925  166.023   24.197  144.940   28.547  219.820   45.601  107.064   10.826  131.663   14.088 -24.59921 17.76747 
1 1 1    7   17   19 o  458.334   17.390  2641.45  199.035  2698.90  243.627  2526.15  345.133  462.528   21.093  443.703   31.351 18.82504 37.78599 
1 1 1    7   17   20 o  528.641   23.483  3538.51  309.996  3129.85  437.644  3950.02  439.160  491.453   35.909  554.468   31.851 -63.01468 47.99957 
1 1 1    7   17   31 o  539.065   24.162  3741.07  325.251  4198.38  461.011  3287.86  458.945  563.042   32.932  493.897   37.491 69.14554 49.90067 
1 1 1    7   17   32 o  119.802   9.4690  181.184   28.097  190.509   35.795  166.217   45.350  122.498   11.850  113.415   16.496 9.083176 20.31073 
1 1 1    7   17   33 o  129.289   10.163  211.187   32.548  205.725   41.675  219.730   52.115  127.056   13.334  130.723   16.320 -3.667053 21.07458 
1 1 1    7   17   34 o  404.192   15.843  2069.51  159.910  2078.32  196.532  2052.27  275.071  403.563   19.502  395.663   28.021 7.900848 34.13943 
1 1 1    7   17   35 o  177.717   13.399  400.824   59.028  358.361   87.451  436.362   80.002  165.799   21.638  184.433   17.583 -18.63393 27.88142 
1 1 1    7   17   36 o  216.148   11.945  590.511   64.226  525.187   80.342  706.165  106.902  202.809   15.994  234.570   18.398 -31.76180 24.37749 
1 1 1    7   17   37 o  246.996   12.263  770.002   75.637  736.512   94.404  830.039  126.399  240.217   15.826  253.420   20.140 -13.20265 25.61385 
1 1 1    7   17   38 o  411.454   16.536  2161.66  169.900  2118.64  209.242  2244.92  291.081  404.270   20.797  409.538   28.643 -5.267975 35.39653 
1 1 1    7   17   39 o   73.550   26.351   64.072   61.424   64.072   61.424   0.0000   0.0000   73.550   26.351  ?   ?  0.000000 26.35146 
1 1 1    7   17   40 o  178.703   14.263  410.328   63.119  429.303   98.702  397.200   82.100  179.170   22.561  173.824   19.236 5.345520 29.64823 
1 1 1    7   17   41 f   98.491   14.091  126.610   33.669  113.507   48.749  138.562   46.557   90.830   21.775  101.468   19.074 -10.63712 28.94781 
1 1 1    7   17   42 o  117.645   12.954  179.254   37.427  197.806   52.701  160.378   53.161  121.803   17.857  108.423   20.383 13.37936 27.09822 
1 1 1    7   17   43 o  159.851   12.279  329.248   48.641  355.443   66.085  298.279   71.855  164.227   16.331  148.462   19.881 15.76465 25.72822 
1 1 1    7   17   44 o  171.494   19.734  398.778   82.971   0.0000   0.0000  398.778   82.971  ?   ?   171.494   19.734 0.000000 19.73409 
1 1 1    7   18    0 o  386.566   18.665  1882.20  180.175  1805.60  253.151  1960.84  256.494  375.875   27.153  392.030   26.353 -16.15524 37.83899 
1 1 1    7   18    1 f  271.560   14.917  928.320  100.767  886.198  140.615  972.787  144.476  264.140   21.505  276.917   21.050 -12.77689 30.09265 
1 1 1    7   18    2 o  230.903   20.281  676.729  115.759   0.0000   0.0000  676.729  115.759  ?   ?   230.903   20.281 0.000000 20.28146 
1 1 1    7   18    3 o  520.434   23.814  3421.75  309.496  3381.44  436.664  3462.43  438.731  513.107   34.276  519.351   34.017 -6.243713 48.29085 
1 1 1    7   18    4 o  589.040   26.131  4391.28  384.379  4090.53  542.037  4695.51  545.164  562.758   38.808  604.344   36.292 -41.58618 53.13332 
1 1 1    7   18    5 o  814.365   35.491  8481.75  721.744  7938.62  1018.90  9028.73  1022.51  775.168   52.953  829.642   49.581 -54.47400 72.54198 
1 1 1    7   18    6 o  345.811   16.226  1500.53  140.117  1232.43  196.158  1779.82  200.215  311.283   25.458  375.336   21.450 -64.05347 33.28964 
1 1 1    7   18    7 f  748.349   48.179  7317.40  895.575  7317.40  895.575   0.0000   0.0000  748.349   48.179  ?   ?  0.000000 48.17941 
1 1 1    7   18    8 f  382.683   18.567  1839.97  177.436  1822.47  249.719  1857.81  252.163  378.733   26.572  382.404   26.571 -3.670654 37.57809 
1 1 1    7   18    9 o  411.889   19.839  2133.30  204.055  2229.81  287.693  2035.59  289.471  418.839   27.662  399.691   29.204 19.14697 40.22538 
1 1 1    7   18   10 f  417.463   19.711  2191.19  205.482  2125.05  289.416  2258.42  291.788  408.611   28.543  421.476   27.881 -12.86514 39.90029 
1 1 1    7   18   11 f  424.091   20.029  2261.92  212.110  2227.92  298.874  2296.42  301.077  418.348   28.784  424.827   28.546 -6.478607 40.53868 
1 1 1    7   18   12 o  636.203   41.217  5230.41  651.299   0.0000   0.0000  5230.41  651.299  ?   ?   636.203   41.217 0.000000 41.21692 
1 1 1    7   18   13 o  332.011   17.270  1387.69  142.693  1521.48  200.883  1251.43  202.727  346.557   23.348  313.548   26.129 33.00912 35.04128 
1 1 1    7   18   14 o  239.931   13.822  723.797   82.462  706.015  114.853  742.716  118.469  236.114   19.658  242.196   19.760 -6.081360 27.87275 
1 1 1    7   18   15 o  193.708   11.883  471.591   57.201  397.382   78.623  555.040   83.375  176.919   18.049  209.692   16.044 -32.77284 24.14896 
1 1 1    7   18   16 o  257.073   11.376  827.423   73.029  773.617   88.663  940.948  128.787  247.959   14.381  272.823   19.022 -24.86372 23.84648 
1 1 1    7   18   17 f  533.033   35.079  3660.51  464.320  3660.51  464.320   0.0000   0.0000  533.033   35.079  ?   ?  0.000000 35.07888 
1 1 1    7   18   18 o  384.845   15.047  1859.36  144.609  1859.33  176.704  1859.42  251.629  384.322   18.412  381.784   26.559 2.537567 32.31656 
1 1 1    7   18   19 o  332.506   12.397  1385.98  102.932  1197.19  125.362  1776.62  180.326  308.151   16.350  374.906   19.327 -66.75479 25.31486 
1 1 1    7   18   20 f  220.557   10.643  609.335   58.618  594.945  100.683  616.714   72.097  216.409   18.818  221.324   13.103 -4.914734 22.93059 
1 1 1    7   18   34 o  348.506   17.350  1543.34  150.997  1574.11  214.402  1513.06  212.691  348.021   24.833  341.000   25.155 7.021271 35.34764 
1 1 1    7   18   35 o  122.818   8.4798  190.066   25.848  188.827   40.075  190.948   33.825  121.589   13.422  122.701   11.161 -1.111397 17.45652 
1 1 1    7   18   36 o  178.596   10.485  402.510   46.557  423.842   59.369  368.439   75.031  182.755   13.096  169.069   18.051 13.68637 22.30075 
1 1 1    7   18   37 o  354.397   18.057  1609.57  159.278  1620.47  227.704  1599.12  222.880  350.704   26.189  348.654   25.782 2.049988 36.75037 
1 1 1    7   18   38 o  234.294   11.970  695.392   69.798  691.631   88.132  701.722  114.320  232.622   15.256  232.470   19.884 0.1513367 25.06233 
1 1 1    7   18   39 o   85.218   13.687   94.518   28.141  107.808   41.957   83.651   37.939   89.701   19.303   78.896   19.394 10.80438 27.36271 
1 1 1    7   18   40 f  109.655   12.893  154.956   34.632  124.010   48.306  187.680   49.675   95.635   20.818  119.526   17.133 -23.89088 26.96151 
1 1 1    7   18   41 o   86.878   14.798   99.456   30.954   61.533   45.476  132.196   42.254   68.785   22.753   99.534   17.646 -30.74977 28.79325 
1 1 1    7   18   42 o  187.611   24.842  487.239  113.524  487.239  113.524   0.0000   0.0000  187.611   24.842  ?   ?  0.000000 24.84237 
1 1 1    7   18   43 o  107.613   14.222  152.005   37.283  133.975   54.760  167.583   50.902   97.475   22.888  111.097   19.032 -13.62254 29.76718 
1 1 1    7   18   44 o   87.880   21.153  108.458   45.861   0.0000   0.0000  108.458   45.861  ?   ?    87.880   21.153 0.000000 21.15281 
1 1 1    7   19    0 o  141.658   12.089  253.509   42.355  219.257   56.587  297.145   63.870  130.703   17.800  152.653   17.046 -21.94978 24.64581 
1 1 1    7   19    1 o  196.615   13.002  487.128   63.479  463.050   87.309  514.130   92.459  190.752   18.564  201.079   18.625 -10.32716 26.29662 
1 1 1    7   19    2 o  342.356   17.687  1479.62  150.691  1593.81  211.885  1362.76  214.354  353.728   24.131  326.267   26.539 27.46097 35.86989 
1 1 1    7   19    3 o  618.836   27.966  4876.38  432.169  4983.85  610.543  4768.46  611.818  618.402   39.747  604.172   40.791 14.22986 56.95338 
1 1 1    7   19    4 o  249.901   13.761  785.641   85.543  644.209  118.897  937.412  123.167  224.923   21.427  272.324   18.217 -47.40187 28.12442 
1 1 1    7   19    5 o  339.966   17.655  1457.23  149.369  1637.42  210.298  1273.78  212.193  359.107   23.582  315.627   27.187 43.47977 35.98972 
1 1 1    7   19    6 o  186.778   12.082  438.796   56.051  352.031   76.590  538.852   82.247  166.231   18.780  206.539   16.073 -40.30753 24.71906 
1 1 1    7   19    7 o  504.399   23.473  3214.33  295.666  3470.19  417.434  2956.75  418.838  520.450   32.278  479.066   35.258 41.38376 47.80196 
1 1 1    7   19    8 o  183.344   17.700  426.337   80.030  426.337   80.030   0.0000   0.0000  183.344   17.700  ?   ?  0.000000 17.69981 
1 1 1    7   19    9 o  324.766   16.825  1328.20  135.982  1360.26  190.873  1295.15  193.775  327.368   23.505  319.172   24.499 8.196075 33.95118 
1 1 1    7   19   10 o  375.361   18.126  1771.25  169.901  1701.04  238.759  1843.26  241.823  365.569   26.330  380.815   25.578 -15.24670 36.70839 
1 1 1    7   19   11 o  288.186   14.758  1044.39  105.850  922.555  147.588  1173.43  151.892  269.570   22.119  304.635   20.079 -35.06519 29.87380 
1 1 1    7   19   12 o  217.362   13.699  594.580   73.976  636.535  102.897  549.696  106.427  224.221   18.543  207.864   20.782 16.35706 27.85202 
1 1 1    7   19   13 o  535.198   35.379  3688.19  470.170   0.0000   0.0000  3688.19  470.170  ?   ?   535.198   35.379 0.000000 35.37905 
1 1 1    7   19   14 o  812.991   35.735  8488.91  725.486  8125.10  1024.57  8854.76  1027.42  781.152   52.834  817.718   50.563 -36.56519 73.13041 
1 1 1    7   19   15 o  481.579   21.380  2926.53  257.118  2612.47  361.847  3246.83  365.418  450.883   32.352  504.185   29.148 -53.30188 43.54629 
1 1 1    7   19   16 o  321.016   16.406  1298.46  131.077  1279.28  183.831  1318.30  186.950  317.154   23.376  321.970   23.412 -4.815674 33.08424 
1 1 1    7   19   17 o  273.205   12.036  935.447   82.113  969.612   99.876  864.189  144.240  277.550   14.460  260.480   22.393 17.07001 26.65571 
1 1 1    7   19   18 o  460.287   30.982  2726.31  354.045  2726.31  354.045   0.0000   0.0000  460.287   30.982  ?   ?  0.000000 30.98228 
1 1 1    7   19   19 o  415.259   13.931  2165.40  144.456  2517.83  204.131  1811.86  204.454  446.858   18.293  377.703   21.769 69.15521 28.43464 
1 1 1    7   19   20 o  504.517   16.161  3204.53  203.606  3222.42  287.652  3186.57  288.233  503.849   22.862  500.975   23.040 2.874176 32.45767 
1 1 1    7   19   21 o  278.388   21.380  988.411  147.493  988.411  147.493   0.0000   0.0000  278.388   21.380  ?   ?  0.000000 21.37957 
1 1 1    7   19   38 o  218.417   9.3719  600.158   51.117  632.059   75.096  572.616   69.777  222.842   13.559  212.163   13.236 10.67947 18.94864 
1 1 1    7   19   39 o   99.351   8.8303  125.161   21.679  164.246   39.855  108.736   25.836  112.647   14.505   92.030   11.493 20.61694 18.50626 
1 1 1    7   19   40 o   65.483   16.178   57.286   26.300   64.194   52.812   55.007   30.329   71.390   24.523   64.240   18.120 7.150352 30.49125 
1 1 1    7   19   41 o  152.064   10.436  294.295   39.388  214.968   62.984  345.245   50.477  126.233   20.698  164.141   12.406 -37.90820 24.13137 
1 1 1    7   19   42 o  199.115   8.9627  501.257   44.565  613.953   71.752  430.481   56.862  218.410   13.218  183.052   12.514 35.35780 18.20218 
1 1 1    7   19   43 o  259.944   14.672  878.181   94.853   0.0000   0.0000  878.181   94.853  ?   ?   259.944   14.672 0.000000 14.67237 
1 1 1    7   20    0 o  170.157   17.499  369.541   73.298  369.541   73.298   0.0000   0.0000  170.157   17.499  ?   ?  0.000000 17.49949 
1 1 1    7   20    1 f  291.137   15.759  1070.81  114.146  1053.56  158.213  1089.54  164.843  287.121   22.240  291.843   22.800 -4.722046 31.85031 
1 1 1    7   20    2 o  302.935   15.544  1158.06  117.193  1044.62  163.251  1278.69  168.338  285.830   23.068  316.905   21.397 -31.07541 31.46380 
1 1 1    7   20    3 o  247.689   14.192  773.326   87.413  736.936  121.362  812.555  126.009  240.550   20.396  252.731   20.133 -12.18091 28.65868 
1 1 1    7   20    4 o  131.798   12.691  219.911   41.252  259.209   55.679  172.088   61.422  142.688   15.897  114.676   22.251 28.01203 27.34637 
1 1 1    7   20    5 o  232.585   20.337  688.331  116.934   0.0000   0.0000  688.331  116.934  ?   ?   232.585   20.337 0.000000 20.33743 
1 1 1    7   20    6 o  532.713   24.115  3599.03  320.797  3431.20  452.077  3769.27  455.292  514.474   35.404  540.127   33.928 -25.65228 49.03595 
1 1 1    7   20    7 o  154.499   12.372  301.130   47.331  308.039   64.289  292.954   69.939  155.609   16.812  151.324   18.922 4.284409 25.31115 
1 1 1    7   20    8 o  272.059   15.015  932.263  101.616  929.290  141.906  935.392  145.578  270.467   21.180  271.250   21.673 -0.7822266 30.30333 
1 1 1    7   20    9 o  215.350   18.771  588.481   99.935  588.481   99.935   0.0000   0.0000  215.350   18.771  ?   ?  0.000000 18.77103 
1 1 1    7   20   10 o  318.462   16.603  1278.40  131.578  1293.68  184.157  1262.46  188.064  318.922   23.284  314.822   24.105 4.099548 33.51419 
1 1 1    7   20   11 o  484.031   21.607  2959.36  261.168  2656.77  367.440  3268.31  371.284  454.217   32.612  505.340   29.551 -51.12265 44.00867 
1 1 1    7   20   12 o  267.041   13.937  897.145   92.618  772.594  128.635  1031.22  133.462  246.499   21.101  285.509   18.825 -39.00980 28.27753 
1 1 1    7   20   13 o  506.734   22.962  3249.50  290.563  3082.54  409.373  3419.02  412.482  488.717   33.750  515.549   32.201 -26.83160 46.64734 
1 1 1    7   20   14 o  256.343   21.008  835.337  133.301   0.0000   0.0000  835.337  133.301  ?   ?   256.343   21.008 0.000000 21.00841 
1 1 1    7   20   15 o  207.019   13.371  539.917   68.754  569.342   95.251  507.907   99.345  211.830   18.183  199.596   20.210 12.23347 27.18583 
1 1 1    7   20   16 o  328.623   16.634  1362.37  136.058  1332.60  190.662  1393.27  194.217  323.276   23.785  330.619   23.681 -7.343658 33.56327 
1 1 1    7   20   17 o  447.092   20.731  2527.81  231.461  2425.59  325.868  2631.89  328.822  433.902   30.264  452.507   29.256 -18.60471 42.09309 
1 1 1    7   20   18 o  146.551   8.6322  269.719   31.451  324.911   42.607  203.635   46.622  160.675   10.680  126.380   15.070 34.29511 18.47046 
1 1 1    7   20   19 f  121.102   8.1632  184.352   24.543  223.244   32.624  133.643   37.252  133.133   9.8834  101.995   15.080 31.13845 18.03051 
1 1 1    7   20   20 o  314.432   10.643  1239.49   83.568  1230.85  117.536  1248.32  118.841  312.700   15.052  314.901   15.113 -2.200806 21.32964 
1 1 1    7   20   21 o  305.629   10.742  1171.51   81.984  1167.40  115.597  1175.66  116.291  304.415   15.207  305.483   15.244 -1.068390 21.53203 
1 1 1    7   20   41 o  100.245   9.8047  128.305   24.230  245.132   70.189  112.499   25.817  134.458   21.638   93.458   11.291 41.00017 24.40698 
1 1 1    7   20   42 o  143.375   9.1272  261.079   32.509  260.759   53.550  261.266   40.909  141.113   15.449  142.699   11.580 -1.585220 19.30716 
1 1 1    7   20   43 o  194.462   19.073  506.612   91.428   0.0000   0.0000  506.612   91.428  ?   ?   194.462   19.073 0.000000 19.07297 
1 1 1    7   21    0 o   48.475   15.136   29.437   20.326   39.732   23.782   1.5345   39.153   55.518   16.169   46.050   19.553 9.467926 25.37294 
1 1 1    7   21    1 o  216.484   19.056  599.080  101.969  599.080  101.969   0.0000   0.0000  216.484   19.056  ?   ?  0.000000 19.05635 
1 1 1    7   21    2 o  365.550   17.768  1690.48  162.191  1580.89  226.944  1804.89  231.881  349.964   26.157  374.601   24.931 -24.63702 36.13509 
1 1 1    7   21    3 o  438.510   20.859  2441.75  228.417  2429.08  321.274  2454.70  324.816  432.645   29.921  434.834   30.098 -2.188690 42.43993 
1 1 1    7   21    4 o  358.323   17.836  1621.90  159.592  1594.48  223.144  1650.61  228.339  352.294   25.538  358.413   25.682 -6.119080 36.21846 
1 1 1    7   21    5 o  277.354   15.567  971.570  107.382  1036.65  150.130  903.403  153.653  285.155   21.235  265.488   23.416 19.66760 31.61098 
1 1 1    7   21    6 f  264.204   21.583  890.698  141.155   0.0000   0.0000  890.698  141.155  ?   ?   264.204   21.583 0.000000 21.58325 
1 1 1    7   21    7 o  146.899   12.115  272.526   44.045  264.567   59.247  282.359   65.852  143.964   16.796  148.530   18.131 -4.566467 24.71488 
1 1 1    7   21    8 o  143.259   12.030  259.198   42.638  250.840   57.261  269.599   63.878  140.167   16.687  145.133   18.013 -4.965607 24.55418 
1 1 1    7   21    9 o  419.106   19.254  2217.97  201.507  1994.03  282.933  2448.50  287.059  393.624   28.988  437.455   26.401 -43.83084 39.20885 
1 1 1    7   21   10 o  209.645   12.861  553.550   67.004  507.826   92.141  604.866   97.612  199.778   18.687  218.302   18.068 -18.52388 25.99336 
1 1 1    7   21   11 o  276.220   21.385  971.265  146.358  971.265  146.358   0.0000   0.0000  276.220   21.385  ?   ?  0.000000 21.38498 
1 1 1    7   21   12 o  126.773   12.574  203.579   39.281  237.657   52.346  159.656   59.429  136.590   15.628  110.330   22.336 26.25935 27.26071 
1 1 1    7   21   13 o  538.425   24.134  3684.16  324.493  3442.74  457.156  3929.31  460.668  513.998   35.841  550.596   33.666 -36.59863 49.17315 
1 1 1    7   21   14 o  153.542   11.190  297.061   42.611  241.688   56.566  369.705   64.790  137.526   16.822  170.773   15.357 -33.24669 22.77727 
1 1 1    7   21   15 f  198.916   19.098  504.242   93.701   0.0000   0.0000  504.242   93.701  ?   ?   198.916   19.098 0.000000 19.09831 
1 1 1    7   21   16 o  221.039   12.321  614.996   67.739  512.851   92.857  731.190   99.037  200.655   18.749  240.338   16.603 -39.68304 25.04376 
1 1 1    7   21   17 o  161.765   11.090  329.647   44.528  403.332   72.666  285.344   56.346  178.147   16.522  149.809   15.275 28.33765 22.50176 
1 1 1    7   21   18 o  223.400   11.590  627.854   64.434  688.385  108.311  594.697   80.162  232.576   18.810  216.866   14.892 15.70970 23.99179 
1 1 1    7   21   19 o  393.251   14.895  1947.43  146.270  1770.42  251.271  2038.16  179.891  370.319   27.365  401.540   17.940 -31.22092 32.72190 
1 1 1    7   21   20 o  307.198   10.443  1183.56   80.111  1144.65  112.423  1223.71  114.185  301.406   14.937  311.691   14.670 -10.28476 20.93602 
1 1 1    7   21   21 o  275.878   10.587  954.909   72.933  1015.47  102.747  893.407  103.542  283.518   14.561  265.633   15.679 17.88547 21.39773 
1 1 1    7   21   22 o  416.335   19.087  2200.45  198.442   0.0000   0.0000  2200.45  198.442  ?   ?   416.335   19.087 0.000000 19.08715 
1 1 1    7   22    0 o  244.617   14.204  758.682   86.390  716.700  118.951  805.544  125.674  235.822   20.400  250.144   20.294 -14.32205 28.77494 
1 1 1    7   22    1 o  239.503   14.311  726.948   85.203  724.191  117.438  730.012  123.804  237.395   19.996  237.994   21.048 -0.5987244 29.03252 
1 1 1    7   22    2 o  280.258   21.872  1010.84  151.864  1010.84  151.864   0.0000   0.0000  280.258   21.872  ?   ?  0.000000 21.87247 
1 1 1    7   22    3 o  334.194   17.233  1418.33  143.327  1414.79  200.378  1422.05  205.093  331.004   24.414  331.617   24.949 -0.6124878 34.90734 
1 1 1    7   22    4 o  274.876   15.324  956.436  104.765  963.787  145.634  948.552  150.822  274.165   21.442  271.641   22.435 2.524414 31.03375 
1 1 1    7   22    5 o   51.084   14.572   33.679   19.501   32.199   22.850   37.648   37.415   50.866   16.073   58.183   20.596 -7.317455 26.12533 
1 1 1    7   22    6 o  157.451   12.553  313.494   48.945  319.447   65.711  306.074   73.355  158.152   16.900  154.198   19.485 3.954651 25.79320 
1 1 1    7   22    7 o   81.094   21.537   86.567   44.350   0.0000   0.0000   86.567   44.350  ?   ?    81.094   21.537 0.000000 21.53747 
1 1 1    7   22    8 o  284.266   15.734  1021.58  111.257  1075.50  155.547  965.096  159.200  290.132   21.624  274.187   23.478 15.94473 31.91894 
1 1 1    7   22    9 o  214.569   13.390  580.917   71.389  574.360   98.471  588.182  103.647  212.284   18.769  214.661   19.550 -2.377075 27.10093 
1 1 1    7   22   10 o  346.622   17.277  1516.66  149.549  1479.63  209.687  1554.99  213.350  339.535   24.904  348.191   24.697 -8.656677 35.07407 
1 1 1    7   22   11 o  376.185   18.412  1788.82  172.967  1769.06  242.825  1809.18  246.441  370.857   26.392  375.017   26.486 -4.160034 37.39066 
1 1 1    7   22   12 o  128.975   16.059  212.793   50.602  212.793   50.602   0.0000   0.0000  128.975   16.059  ?   ?  0.000000 16.05910 
1 1 1    7   22   13 o  129.909   12.395  213.800   39.722  240.648   53.006  179.408   59.992  137.333   15.740  117.165   21.289 20.16743 26.47558 
1 1 1    7   22   14 o  356.322   18.004  1608.37  159.684  1646.73  224.280  1568.93  227.408  358.109   25.241  349.102   26.278 9.006256 36.43743 
1 1 1    7   22   15 o  173.419   9.6963  378.012   41.823  312.220   66.028  422.092   54.047  156.343   17.197  182.990   11.892 -26.64682 20.90786 
1 1 1    7   22   16 o  262.944   21.441  884.347  139.561   0.0000   0.0000  884.347  139.561  ?   ?   262.944   21.441 0.000000 21.44121 
1 1 1    7   22   17 o  111.111   9.0951  155.691   25.015  108.428   35.922  200.188   34.855   91.354   16.347  125.809   11.212 -34.45509 19.82204 
1 1 1    7   22   18 o  362.978   14.517  1659.76  131.585  1616.72  225.507  1681.98  162.030  354.068   25.679  364.588   17.797 -10.52020 31.24355 
1 1 1    7   22   19 o  156.974   8.5589  309.571   33.424  215.039   53.157  371.380   42.983  129.376   16.854  171.788   10.064 -42.41217 19.62969 
1 1 1    7   22   20 o  118.148   9.6308  176.186   28.167  184.078   45.059  171.124   36.088  119.808   15.418  115.965   12.668 3.843010 19.95486 
1 1 1    7   22   21 o  136.536   7.6032  234.135   25.821  230.846   35.400  237.875   37.744  135.201   10.569  137.174   11.114 -1.973602 15.33729 
1 1 1    7   22   22 o  224.508   8.9765  631.902   50.326  648.106   70.590  615.152   71.768  226.597   12.523  220.634   13.084 5.963623 18.11174 
1 1 1    7   22   23 o  280.503   13.551  991.857   94.922  804.288  132.754  1188.07  135.778  249.949   21.478  305.426   17.880 -55.47795 27.94605 
1 1 1    7   23    0 o  180.870   11.256  413.750   50.587  260.786   66.128  629.562   78.547  141.460   19.217  222.498   14.211 -81.03786 23.90100 
1 1 1    7   23    1 o  249.103   13.725  786.994   85.048  670.274  116.541  919.981  124.396  227.529   20.739  267.659   18.729 -40.12917 27.94441 
1 1 1    7   23    2 f  108.284   12.383  149.704   32.882  139.164   41.933  166.535   52.987  103.383   16.821  112.613   19.551 -9.229752 25.79130 
1 1 1    7   23    3 o  314.996   16.891  1263.59  132.380  1303.92  184.457  1220.77  190.096  317.161   23.456  306.021   25.096 11.14041 34.35138 
1 1 1    7   23    4 o  198.407   18.345  504.928   89.865  504.928   89.865   0.0000   0.0000  198.407   18.345  ?   ?  0.000000 18.34544 
1 1 1    7   23    5 o  135.755   12.446  233.928   41.723  240.021   55.046  225.702   63.963  136.713   16.454  131.615   20.099 5.097214 25.97494 
1 1 1    7   23    6 o  265.397   15.374  893.004  101.453  959.479  141.225  822.116  145.838  273.431   20.840  252.070   23.437 21.36035 31.36233 
1 1 1    7   23    7 o  145.984   12.492  270.055   45.100  278.820   59.933  258.612   68.480  147.555   16.550  141.224   19.975 6.331100 25.94093 
1 1 1    7   23    8 o  254.699   13.758  819.589   87.183  702.406  120.201  949.665  126.642  233.925   20.794  272.921   18.695 -38.99591 27.96194 
1 1 1    7   23    9 o  349.363   16.812  1543.88  146.672  1372.23  204.751  1724.81  210.209  325.806   25.366  366.510   23.085 -40.70441 34.29835 
1 1 1    7   23   10 o  487.054   22.939  3032.51  278.997  3093.39  393.146  2970.75  395.992  485.242   32.635  474.772   33.618 10.47012 46.85252 
1 1 1    7   23   11 o  294.258   16.235  1097.06  118.838  1181.34  166.231  1008.96  169.956  303.555   22.081  279.522   24.599 24.03278 33.05535 
1 1 1    7   23   12 o  268.520   15.290  912.468  102.104  967.890  142.532  854.047  146.337  275.017   20.911  257.580   22.992 17.43652 31.07897 
1 1 1    7   23   13 o  147.596   16.419  278.522   59.489  278.522   59.489   0.0000   0.0000  147.596   16.419  ?   ?  0.000000 16.41861 
1 1 1    7   23   14 o  326.819   13.510  1344.54  110.255  1277.62  186.769  1380.33  136.595  315.030   23.920  330.050   16.627 -15.01944 29.13071 
1 1 1    7   23   15 o  142.866   10.524  257.497   37.281  278.925   58.055  242.460   48.634  147.774   15.987  137.988   14.323 9.786774 21.46454 
1 1 1    7   23   16 o  122.954   9.6577  190.729   29.414  160.898   43.727  215.383   39.752  111.735   16.139  130.305   12.365 -18.56940 20.33121 
1 1 1    7   23   17 o   94.371   9.8530  112.910   22.877   91.879   32.215  134.305   32.493   83.928   15.954  102.506   12.985 -18.57888 20.57055 
1 1 1    7   23   18 o  328.787   12.689  1360.38  104.185  1148.28  177.030  1472.77  128.865  298.212   23.975  341.541   15.109 -43.32941 28.33872 
1 1 1    7   23   19 o  122.965   8.9911  190.565   27.417  150.748   42.178  219.702   36.081  108.034   16.128  131.787   11.066 -23.75269 19.55932 
1 1 1    7   23   20 o   56.684   10.441   41.609   14.234   24.421   18.823   64.564   21.754   44.811   14.629   70.540   12.822 -25.72877 19.45291 
1 1 1    7   23   21 f  162.329   9.6874  331.827   39.090  306.419   65.371  345.970   48.771  154.519   17.235  165.417   11.886 -10.89760 20.93622 
1 1 1    7   23   22 o  126.984   10.949  204.137   34.381  204.137   34.381   0.0000   0.0000  126.984   10.949  ?   ?  0.000000 10.94920 
1 1 1    7   23   23 o  146.341   8.1430  269.215   29.640  316.113   41.142  218.609   42.738  158.288   10.468  131.027   13.244 27.26118 16.88099 
1 1 1    7   24    0 o  204.558   11.676  530.006   59.394  329.248   78.824  793.705   90.339  158.525   20.384  249.546   14.560 -91.02188 25.05008 
1 1 1    7   24    1 o  111.648   13.413  160.015   36.647  189.447   47.482  116.653   57.633  120.943   16.123   92.805   24.506 28.13760 29.33422 
1 1 1    7   24    2 o  280.282   14.688  999.421  102.448  868.810  141.483  1143.39  148.540  258.202   22.157  297.487   20.113 -39.28452 29.92494 
1 1 1    7   24    3 o  241.209   14.154  739.331   84.885  708.783  116.718  773.630  123.675  234.071   20.165  244.495   20.444 -10.42450 28.71555 
1 1 1    7   24    4 o   69.420   13.644   62.993   22.809   49.398   27.100   96.023   42.241   61.376   17.064   84.871   20.219 -23.49469 26.45740 
1 1 1    7   24    5 o  182.178   17.771  426.690   79.819  426.690   79.819   0.0000   0.0000  182.178   17.771  ?   ?  0.000000 17.77147 
1 1 1    7   24    6 o  453.706   21.307  2643.23  241.409  2519.64  339.225  2770.05  343.626  435.044   31.437  457.260   30.265 -22.21613 43.63734 
1 1 1    7   24    7 o  107.638   12.230  147.787   32.290  137.136   41.032  165.112   52.332  102.725   16.558  112.243   19.370 -9.517937 25.48318 
1 1 1    7   24    8 o  105.053   12.847  141.125   33.001  159.698   42.374  112.492   52.612  111.257   15.687   91.765   23.003 19.49186 27.84306 
1 1 1    7   24    9 o  279.335   14.894  989.119  103.517  918.285  143.643  1065.65  149.311  266.847   21.745  287.917   20.910 -21.06946 30.16741 
1 1 1    7   24   10 o  224.819   20.542  650.694  114.054   0.0000   0.0000  650.694  114.054  ?   ?   224.819   20.542 0.000000 20.54245 
1 1 1    7   24   11 o  281.567   13.406  999.506   94.260  1169.60  158.195  905.874  117.371  301.755   21.127  266.537   17.735 35.21786 27.58418 
1 1 1    7   24   12 o  172.930   10.588  377.012   45.504  374.677   71.753  378.583   58.853  171.103   17.019  172.725   13.759 -1.622467 21.88485 
1 1 1    7   24   13 o  163.392   10.955  336.940   44.439  368.400   70.271  315.975   57.366  169.709   16.802  157.504   14.757 12.20522 22.36268 
1 1 1    7   24   14 o   85.645   14.362   95.024   29.629  115.099   34.776   41.861   56.593   94.265   15.298   66.067   25.005 28.19846 29.31324 
1 1 1    7   24   15 o  126.302   10.299  201.615   32.201  198.483   48.196  204.141   43.279  124.276   15.894  126.469   13.935 -2.193146 21.13793 
1 1 1    7   24   16 o  122.454   10.677  189.786   32.322  212.115   49.148  172.768   42.906  128.585   15.627  115.961   15.181 12.62444 21.78738 
1 1 1    7   24   17 o  143.631   9.4082  259.925   33.558  210.639   51.584  296.087   44.186  127.916   16.536  152.989   11.653 -25.07336 20.22973 
1 1 1    7   24   18 o  408.460   16.004  2112.90  163.237  2083.43  280.248  2128.03  200.820  398.793   28.326  408.446   19.689 -9.653442 34.49624 
1 1 1    7   24   19 o  152.055   18.617  298.457   69.213   0.0000   0.0000  298.457   69.213  ?   ?   152.055   18.617 0.000000 18.61678 
1 1 1    7   24   20 o   94.274   13.552  114.364   30.988   0.0000   0.0000  114.364   30.988  ?   ?    94.274   13.552 0.000000 13.55247 
1 1 1    7   24   21 o  109.148   15.814  153.907   41.847  153.907   41.847   0.0000   0.0000  109.148   15.814  ?   ?  0.000000 15.81380 
1 1 1    7   24   22 o  248.086   11.212  774.191   69.457  715.712  118.440  804.844   85.750  235.744   20.317  252.139   13.670 -16.39491 24.48819 
1 1 1    7   24   23 o   60.038   9.0828   46.234   13.192   55.860   17.161   32.325   20.626   65.812   10.818   50.319   15.162 15.49341 18.62582 
1 1 1    7   24   24 o  108.112   8.5817  147.498   22.978  187.950   31.222   99.696   33.940  121.864   10.358   87.338   16.157 34.52520 19.19160 
1 1 1    7   25    0 o  289.167   15.119  1068.71  108.794  939.660  149.993  1211.97  158.037  267.248   22.690  304.867   20.884 -37.61899 30.83813 
1 1 1    7   25    1 o  202.378   12.874  520.887   64.722  452.807   87.145  604.630   96.651  186.617   18.963  216.265   18.062 -29.64882 26.18866 
1 1 1    7   25    2 o   41.460   18.223  -8.0753   36.421   0.0000   0.0000  -8.0753   36.421  ?   ?    41.460   18.223 0.000000 18.22304 
1 1 1    7   25    3 o   86.874   12.696   97.405   26.730   76.650   32.352  142.053   47.450   75.951   17.427  103.630   19.037 -27.67896 25.80964 
1 1 1    7   25    4 o   79.840   13.806   82.998   26.530   86.203   32.085   76.070   47.171   80.834   16.454   76.005   22.936 4.829720 28.22737 
1 1 1    7   25    5 o   74.192   13.429   71.741   23.964   60.425   28.449   99.387   44.467   67.535   16.907   86.135   20.888 -18.60090 26.87362 
1 1 1    7   25    6 o  194.215   18.363  486.573   88.002  486.573   88.002   0.0000   0.0000  194.215   18.363  ?   ?  0.000000 18.36285 
1 1 1    7   25    7 o  200.412   13.134  509.725   65.368  489.246   89.047  533.657   96.263  194.775   18.531  203.267   19.192 -8.492111 26.67820 
1 1 1    7   25    8 o  300.795   13.368  1143.57  100.409  1152.52  166.956  1138.50  125.677  297.861   22.615  298.588   16.925 -0.7269287 28.24675 
1 1 1    7   25    9 o  234.885   11.839  697.020   69.218  688.604  112.670  702.121   87.724  231.085   19.713  234.909   15.033 -3.823669 24.79131 
1 1 1    7   25   10 f  173.335   11.280  379.812   48.561  414.743   76.303  356.033   62.956  179.753   17.209  166.933   15.272 12.82004 23.00805 
1 1 1    7   25   11 o  179.539   19.314  416.438   85.232   0.0000   0.0000  416.438   85.232  ?   ?   179.539   19.314 0.000000 19.31422 
1 1 1    7   25   12 o  115.781   11.629  170.452   33.167  206.540   48.096  137.726   45.800  126.757   15.519  102.427   18.591 24.32925 24.21653 
1 1 1    7   25   13 o  216.762   12.521  594.304   67.489  779.787  111.898  488.256   84.610  246.713   18.293  195.143   17.550 51.57005 25.35058 
1 1 1    7   25   14 o  133.688   10.463  226.012   34.652  228.732   52.489  223.910   46.134  133.368   16.085  132.366   14.178 1.002365 21.44143 
1 1 1    7   25   15 f   94.433   10.277  113.368   23.844   93.457   32.718  135.921   34.821   84.496   16.093  102.822   13.919 -18.32562 21.27772 
1 1 1    7   25   16 o  139.281   12.017  246.140   41.389  367.545   65.867  166.926   53.205  169.586   15.733  112.779   19.603 56.80762 25.13569 
1 1 1    7   25   17 o  172.256   11.606  375.222   49.633  501.683   81.418  300.430   62.613  198.102   16.611  152.950   16.663 45.15164 23.52854 
1 1 1    7   25   18 o   98.190   10.390  122.517   25.088  124.044   36.786  121.189   34.304   97.780   15.589   96.832   14.644 0.9477463 21.38823 
1 1 1    7   25   19 o  351.229   18.029  1575.45  157.594   0.0000   0.0000  1575.45  157.594  ?   ?   351.229   18.029 0.000000 18.02874 
1 1 1    7   25   20 o  194.323   19.570  487.314   93.675   0.0000   0.0000  487.314   93.675  ?   ?   194.323   19.570 0.000000 19.57033 
1 1 1    7   25   21 o  132.243   9.9832  220.957   32.725  258.562   53.510  198.488   41.362  142.066   15.326  124.663   13.502 17.40336 20.42534 
1 1 1    7   25   22 o   78.181   10.094   78.061   19.246   77.741   30.010   78.284   25.083   76.880   16.145   77.668   13.418 -0.7876053 20.99319 
1 1 1    7   25   23 o  189.843   12.513  456.408   58.986  514.857   83.432  397.995   83.407  200.596   16.811  175.463   19.358 25.13226 25.63828 
1 1 1    7   25   24 o   95.322   8.2811  114.798   19.516  115.942   25.830  113.276   29.792   95.367   11.051   93.866   13.064 1.500931 17.11114 
1 1 1    7   25   25 o   81.012   8.2217   83.138   16.402   80.277   21.245   87.361   25.808   79.126   11.054   82.229   13.001 -3.102997 17.06473 
1 1 1    7   26    0 f  303.362   16.393  1183.45  123.727  1148.63  171.444  1221.29  178.737  294.395   23.517  303.416   23.780 -9.021271 33.44466 
1 1 1    7   26    1 o  292.758   16.373  1101.32  119.220  1137.83  165.386  1061.82  172.016  293.805   22.718  282.476   24.632 11.32852 33.50922 
1 1 1    7   26    2 o   96.775   12.964  120.794   30.542  110.655   37.426  141.007   52.842   91.539   16.998  102.351   21.365 -10.81188 27.30198 
1 1 1    7   26    3 o   59.292   21.638   38.393   41.662   0.0000   0.0000   38.393   41.662  ?   ?    59.292   21.638 0.000000 21.63818 
1 1 1    7   26    4 o  269.170   11.924  916.007   80.152  794.409  129.539  991.440  102.027  246.564   21.246  278.769   14.708 -32.20471 25.84055 
1 1 1    7   26    5 o  101.929   12.345  133.252   30.782  152.697   41.416  109.252   46.011  108.385   15.764   90.175   20.849 18.21037 26.13810 
1 1 1    7   26    6 o   74.268   13.229   71.877   23.635   74.381   29.782   67.616   38.844   74.959   16.369   71.478   20.621 3.480736 26.32808 
1 1 1    7   26    7 o  196.397   13.704  491.143   66.789  453.767   83.971  555.508  110.193  187.353   18.177  206.033   21.746 -18.68011 28.34234 
1 1 1    7   26    8 o  132.914   11.569  224.519   38.015  254.273   55.199  197.674   52.430  140.446   16.026  123.209   17.536 17.23655 23.75544 
1 1 1    7   26    9 o  370.700   14.509  1743.36  134.309  1588.61  226.514  1827.26  166.792  346.780   26.354  378.076   17.666 -31.29501 31.72767 
1 1 1    7   26   10 o  275.386   13.199  959.198   90.769  1068.76  151.065  897.293  113.553  287.084   21.222  264.620   17.279 22.46408 27.36694 
1 1 1    7   26   11 o  156.586   11.142  310.434   43.283  331.959   66.508  294.618   57.009  160.577   16.836  151.598   15.267 8.978973 22.72736 
1 1 1    7   26   12 o   66.381   21.487   55.533   40.648   0.0000   0.0000   55.533   40.648  ?   ?    66.381   21.487 0.000000 21.48707 
1 1 1    7   26   13 o  214.743   12.198  583.649   65.140  685.878  106.738  522.978   82.229  230.848   18.676  202.109   16.435 28.73940 24.87744 
1 1 1    7   26   14 o   79.832   12.321   82.238   23.772  102.310   32.327   58.603   35.078   88.629   15.151   66.980   19.675 21.64936 24.83250 
1 1 1    7   26   15 o  155.645   12.044  307.281   46.446  442.170   74.644  222.058   59.331  185.825   16.249  130.555   18.736 55.27010 24.80037 
1 1 1    7   26   16 o  140.850   10.397  250.871   36.309  260.802   56.233  243.770   47.551  142.407   16.095  138.126   13.978 4.281143 21.31782 
1 1 1    7   26   17 o  254.764   15.862  827.329  100.414  966.196  139.202  676.679  144.988  273.565   20.526  226.292   26.138 47.27289 33.23457 
1 1 1    7   26   18 o   32.461   11.778   10.930   12.318 -12.7362   14.090   87.692   25.376   22.402   10.417   82.418   12.740 -60.01625 16.45676 
1 1 1    7   26   19 o   54.171   13.234   38.539   17.749   52.412   23.558   20.327   26.993   63.061   15.149   46.084   17.307 16.97672 23.00072 
1 1 1    7   26   20 o  228.476   11.531  659.291   65.577  688.232  110.045  643.354   81.660  231.153   19.239  224.914   14.619 6.239120 24.16289 
1 1 1    7   26   21 o  124.669   19.179  203.139   57.794   0.0000   0.0000  203.139   57.794  ?   ?   124.669   19.179 0.000000 19.17870 
1 1 1    7   26   22 o   63.262   11.413   51.924   17.367   53.649   26.424   50.611   23.042   63.778   16.475   61.976   15.041 1.801380 22.30782 
1 1 1    7   26   23 o   97.470   9.6926  120.534   23.279  102.248   37.482  132.016   29.702   88.076   17.657  101.660   11.926 -13.58477 21.30713 
1 1 1    7   26   24 o  203.410   13.027  524.620   65.822  587.737   92.898  460.987   93.276  214.069   17.532  188.597   20.116 25.47249 26.68361 
1 1 1    7   26   25 o   58.203   9.8739   43.737   13.838   45.105   16.994   41.044   23.840   58.774   11.985   56.184   16.139 2.590328 20.10269 
1 1 1    7   26   26 f  114.803   10.598  167.190   30.039  229.160   48.662  129.035   38.183  133.701   14.824   99.641   15.879 34.06019 21.72302 
1 1 1    7   27    0 o  233.238   16.301  702.189   94.347  729.176  117.602  653.453  158.038  235.688   20.176  216.858   29.986 18.82999 36.14161 
1 1 1    7   27    1 o  212.701   12.958  577.015   68.500  662.272  105.489  514.851   90.075  225.338   18.922  198.766   18.355 26.57181 26.36139 
1 1 1    7   27    2 o  188.374   12.553  452.181   58.714  509.219   88.527  407.389   78.451  197.870   18.117  176.862   18.014 21.00790 25.54900 
1 1 1    7   27    3 o  278.761   12.973  986.659   90.311  941.413  145.535  1014.99  115.167  267.398   21.990  280.859   16.493 -13.46133 27.48770 
1 1 1    7   27    4 o  197.926   20.561  513.983  100.140   0.0000   0.0000  513.983  100.140  ?   ?   197.926   20.561 0.000000 20.56083 
1 1 1    7   27    5 o  272.263   13.062  940.467   88.808  986.765  144.556  912.400  112.552  274.611   21.245  266.205   17.020 8.406067 27.22217 
1 1 1    7   27    6 o  286.102   13.137  1038.20   93.855  1028.31  153.820  1044.07  118.463  279.972   22.183  285.089   16.713 -5.116699 27.77415 
1 1 1    7   27    7 o  271.278   12.542  931.761   84.966  904.533  138.625  948.144  107.532  263.136   21.279  272.083   15.896 -8.946960 26.56033 
1 1 1    7   27    8 o  345.750   14.825  1521.11  128.000  1594.15  215.298  1481.17  159.189  347.263   24.995  338.730   18.895 8.532593 31.33278 
1 1 1    7   27    9 o  274.077   16.900  963.963  115.100  1073.55  155.732  832.035  170.873  286.713   21.917  248.770   27.992 37.94281 35.55148 
1 1 1    7   27   10 o  287.629   13.085  1047.60   93.986  1055.85  156.140  1042.92  117.696  284.316   22.167  285.328   16.590 -1.012695 27.68759 
1 1 1    7   27   11 o  279.393   13.553  989.161   94.557  1130.77  157.626  909.556  118.184  294.735   21.566  265.915   17.902 28.81973 28.02809 
1 1 1    7   27   12 o  237.647   12.296  715.466   72.718  772.646  119.415  681.764   91.676  244.281   19.744  230.814   16.004 13.46698 25.41611 
1 1 1    7   27   13 o  149.646   12.851  285.214   47.557  314.686   63.462  247.462   71.825  156.286   16.511  136.775   21.758 19.51103 27.31289 
1 1 1    7   27   14 o  125.096   11.560  199.027   35.703  245.012   53.434  161.939   47.987  137.917   15.800  111.231   17.882 26.68566 23.86221 
1 1 1    7   27   15 o  158.697   11.949  319.604   47.007  424.944   74.219  249.047   60.743  181.905   16.519  138.467   17.992 43.43744 24.42520 
1 1 1    7   27   16 o   62.186   12.000   50.419   17.959   28.601   22.420   89.485   30.000   48.438   15.973   82.725   15.078 -34.28764 21.96582 
1 1 1    7   27   17 o  223.057   11.855  629.444   65.799  713.423  109.460  581.929   82.335  235.274   18.788  213.436   15.555 21.83783 24.39115 
1 1 1    7   27   18 o  312.106   17.423  1247.11  135.252  1430.03  189.372  1056.66  193.238  331.287   23.034  281.832   27.820 49.45514 36.11809 
1 1 1    7   27   19 o  163.172   17.046  342.948   68.433  342.948   68.433   0.0000   0.0000  163.172   17.046  ?   ?  0.000000 17.04627 
1 1 1    7   27   20 o  175.417   12.021  390.016   52.340  644.084   87.732  249.618   65.217  224.581   15.743  138.269   19.424 86.31180 25.00249 
1 1 1    7   27   21 o   83.060   10.685   88.249   21.648   78.972   32.776   95.426   28.831   77.209   17.414   85.765   13.940 -8.556084 22.30694 
1 1 1    7   27   22 o   51.372   19.718   23.513   35.505   0.0000   0.0000   23.513   35.505  ?   ?    51.372   19.718 0.000000 19.71847 
1 1 1    7   27   23 o  120.718   10.176  184.583   30.391  230.252   50.220  158.194   38.175  133.849   15.300  110.918   14.101 22.93054 20.80695 
1 1 1    7   27   24 o  232.340   11.968  682.679   69.204  897.565  118.511  571.487   85.249  264.474   18.052  211.353   16.277 53.12111 24.30702 
1 1 1    7   27   25 o   73.763   13.431   70.878   23.829   90.531   31.946   46.233   35.775   83.060   15.982   61.172   20.178 21.88795 25.74046 
1 1 1    7   27   26 o  169.967   9.0357  363.818   38.213  390.689   52.246  332.907   56.036  175.594   11.987  161.570   14.028 14.02403 18.45152 
1 1 1    7   27   27 o  104.328   19.525  143.803   48.997   0.0000   0.0000  143.803   48.997  ?   ?   104.328   19.525 0.000000 19.52451 
1 1 1    7   28    0 o   56.741   15.693   42.679   22.984   45.007   26.238   35.001   47.649   58.377   16.979   59.641   22.855 -1.263939 28.47165 
1 1 1    7   28    1 o  195.089   14.868  490.066   71.889  458.024   85.156  569.544  134.115  187.037   18.473  203.752   27.026 -16.71486 32.73606 
1 1 1    7   28    2 o  265.419   12.210  894.407   80.927  756.840  125.872  991.341  105.660  239.359   21.280  277.742   15.293 -38.38280 26.20568 
1 1 1    7   28    3 o  172.497   11.305  378.250   48.429  319.418   68.832  435.925   68.152  156.299   17.962  184.052   14.958 -27.75319 23.37422 
1 1 1    7   28    4 o  147.475   12.369  277.799   45.131  318.835   64.378  238.145   63.286  156.686   16.711  134.221   19.448 22.46556 25.64152 
1 1 1    7   28    5 o  168.609   11.720  361.651   49.038  358.346   71.453  364.593   67.423  165.975   17.504  167.874   16.288 -1.899536 23.90995 
1 1 1    7   28    6 o   57.477   21.671   33.227   42.405   0.0000   0.0000   33.227   42.405  ?   ?    57.477   21.671 0.000000 21.67099 
1 1 1    7   28    7 o   96.178   12.342  119.044   28.959  119.352   37.779  118.603   45.093   95.256   16.478   94.041   19.826 1.214905 25.78026 
1 1 1    7   28    8 o  433.970   16.800  2414.74  182.060  2303.44  309.063  2473.88  225.298  411.046   30.324  436.318   20.678 -25.27240 36.70292 
1 1 1    7   28    9 o  167.038   10.589  353.377   43.939  288.734   64.753  408.542   59.818  148.941   17.760  178.898   13.489 -29.95662 22.30192 
1 1 1    7   28   10 o  439.954   22.493  2533.38  246.289  2699.18  343.725  2358.43  353.073  444.977   31.129  411.742   34.661 33.23517 46.58802 
1 1 1    7   28   11 o  189.885   11.565  457.167   54.579  489.504   85.807  435.195   70.732  194.516   17.865  184.122   15.529 10.39378 23.67036 
1 1 1    7   28   12 o  201.519   11.300  514.241   56.637  506.578   89.947  519.275   72.904  197.745   18.427  201.580   14.581 -3.835846 23.49856 
1 1 1    7   28   13 o  240.775   12.817  735.977   76.787  850.296  126.815  669.802   96.485  255.925   20.002  228.207   17.054 27.71803 26.28552 
1 1 1    7   28   14 o  214.177   12.206  581.718   65.011  674.473  106.294  526.287   82.171  228.349   18.808  202.415   16.397 25.93343 24.95220 
1 1 1    7   28   15 o  183.150   19.837  436.945   89.275   0.0000   0.0000  436.945   89.275  ?   ?   183.150   19.837 0.000000 19.83662 
1 1 1    7   28   16 o  208.244   12.207  549.845   63.202  665.931  103.477  480.768   79.821  227.144   18.401  193.371   16.694 33.77274 24.84509 
1 1 1    7   28   17 o  238.431   14.395  724.156   85.308   0.0000   0.0000  724.156   85.308  ?   ?   238.431   14.395 0.000000 14.39518 
1 1 1    7   28   18 o  139.473   16.544  251.404   56.499  251.404   56.499   0.0000   0.0000  139.473   16.544  ?   ?  0.000000 16.54428 
1 1 1    7   28   19 o  150.701   12.886  289.285   48.028  325.625   64.485  244.015   71.974  159.001   16.480  135.701   21.992 23.30069 27.48172 
1 1 1    7   28   20 o  124.175   10.946  195.789   33.596  257.155   53.361  155.490   43.242  141.430   15.355  109.336   16.339 32.09468 22.42209 
1 1 1    7   28   21 o   67.368   11.792   58.901   19.115   36.326   27.693   79.445   26.418   54.223   17.746   78.026   14.076 -23.80308 22.65118 
1 1 1    7   28   22 o   93.757   10.733  112.131   24.676  146.932   39.513   89.882   31.594  106.502   15.296   82.729   15.871 23.77248 22.04196 
1 1 1    7   28   23 o   50.436   19.875   19.501   36.825   0.0000   0.0000   19.501   36.825  ?   ?    50.436   19.875 0.000000 19.87470 
1 1 1    7   28   24 o  272.314   12.645  937.153   85.990  1191.69  147.727  806.714  105.753  303.970   19.566  250.912   16.978 53.05731 25.90482 
1 1 1    7   28   25 o  129.185   10.612  211.536   33.931  239.344   55.141  194.588   43.047  136.101   16.566  123.104   14.267 12.99662 21.86292 
1 1 1    7   28   26 o   91.974   13.321  109.173   29.705  137.962   39.304   70.825   45.363  103.025   15.780   73.642   22.550 29.38287 27.52230 
1 1 1    7   28   27 o   84.403   9.0517   90.514   18.780   93.635   23.066   84.377   32.348   85.506   11.062   79.922   16.744 5.584244 20.06806 
1 1 1    7   29    0 o  259.408   12.324  857.554   79.834  702.085  119.964  981.134  106.956  229.443   21.177  275.393   15.617 -45.95036 26.31220 
1 1 1    7   29    1 o   90.130   14.264  106.437   31.034  110.925   37.752   97.082   54.503   91.166   17.214   83.871   24.493 7.294838 29.93702 
1 1 1    7   29    2 o   59.657   16.846   47.296   26.197   46.512   27.067   58.914  104.190   59.280   17.246   81.163   32.936 -21.88303 37.17825 
1 1 1    7   29    3 o  189.011   11.997  455.501   56.330  430.983   82.017  477.392   77.500  181.334   18.366  191.856   16.332 -10.52156 24.57671 
1 1 1    7   29    4 o  137.319   12.749  241.817   43.220  281.546   60.038  199.081   62.268  146.968   16.653  121.603   21.281 25.36509 27.02193 
1 1 1    7   29    5 o  173.058   11.764  381.430   50.537  363.683   73.250  397.553   69.815  166.854   17.857  175.213   16.138 -8.358856 24.06868 
1 1 1    7   29    6 o  115.684   12.909  172.120   36.656  200.170   49.347  137.588   54.753  123.844   16.357  100.465   22.396 23.37929 27.73289 
1 1 1    7   29    7 o  251.866   22.539  840.247  140.260   0.0000   0.0000  840.247  140.260  ?   ?   251.866   22.539 0.000000 22.53869 
1 1 1    7   29    8 o  191.749   11.854  467.449   56.484  494.944   86.767  447.228   74.410  195.105   18.012  186.112   16.171 8.993195 24.20644 
1 1 1    7   29    9 o  141.658   11.534  255.527   40.446  264.827   58.304  246.900   56.155  142.763   16.668  137.789   16.658 4.973969 23.56531 
1 1 1    7   29   10 f  185.928   11.278  438.585   52.118  422.192   79.669  450.848   68.907  180.239   17.939  187.447   14.842 -7.207779 23.28312 
1 1 1    7   29   11 o  353.195   17.376  1602.98  153.256  1465.08  209.913  1760.39  224.272  331.454   25.558  364.123   24.813 -32.66925 35.62151 
1 1 1    7   29   12 o  146.896   11.161  274.111   40.636  274.457   60.000  273.817   55.231  145.436   16.832  145.704   15.414 -0.2671509 22.82306 
1 1 1    7   29   13 o   98.529   13.307  125.311   31.903  196.513   45.098   53.977   45.139  123.341   14.947   66.353   22.675 56.98739 27.15800 
1 1 1    7   29   14 o  285.069   13.437  1031.33   95.654  1140.07  160.312  971.210  119.198  295.091   21.911  274.602   17.473 20.48926 28.02559 
1 1 1    7   29   15 o   78.523   12.296   79.819   23.320   71.754   30.149   91.829   36.792   73.479   16.797   83.001   18.248 -9.521477 24.80177 
1 1 1    7   29   16 o  354.911   26.929  1680.65  236.889   0.0000   0.0000  1680.65  236.889  ?   ?   354.911   26.929 0.000000 26.92920 
1 1 1    7   29   17 o  181.077   14.154  418.896   63.495  478.415   84.103  340.007   96.826  192.406   17.703  159.070   25.216 33.33502 30.81009 
1 1 1    7   29   18 o  179.846   11.514  410.034   51.437  495.149   83.373  357.728   65.358  195.981   17.210  166.771   15.886 29.21002 23.42116 
1 1 1    7   29   19 f  116.738   11.209  173.483   32.275  224.190   49.726  136.571   42.426  131.848   15.392  102.007   17.271 29.84168 23.13507 
1 1 1    7   29   20 o  208.182   13.133  550.996   67.924  514.144   93.703  591.803   98.603  199.095   19.081  213.890   18.647 -14.79478 26.67946 
1 1 1    7   29   21 o  187.417   11.789  445.298   54.894  705.741   92.582  304.102   68.169  234.805   15.883  152.995   18.200 81.80997 24.15560 
1 1 1    7   29   22 o  101.846   10.861  132.202   27.197  133.621   43.058  131.260   35.081  100.776   17.759  100.725   14.353 0.5010223E-01 22.83380 
1 1 1    7   29   23 o  162.265   10.787  333.296   43.459  501.535   73.841  244.138   53.754  198.058   15.042  137.549   15.945 60.50894 21.92095 
1 1 1    7   29   24 o  114.704   21.325  175.246   58.834   0.0000   0.0000  175.246   58.834  ?   ?   114.704   21.325 0.000000 21.32484 
1 1 1    7   29   25 o  209.404   11.840  555.473   61.661  777.226  104.636  437.500   76.320  246.010   17.140  184.380   16.759 61.62964 23.97123 
1 1 1    7   29   26 o   98.310   11.763  123.721   28.303  165.380   43.191   92.367   37.470  112.927   15.744   83.295   18.496 29.63276 24.28961 
1 1 1    7   29   27 o  224.755   14.326  643.872   79.984  718.820  111.211  563.562  115.120  235.728   19.055  207.044   22.635 28.68427 29.58760 
1 1 1    7   29   28 o  133.400   8.2446  224.298   27.330  200.920   35.197  259.798   43.373  125.684   11.336  142.841   12.279 -17.15711 16.71172 
1 1 1    7   30    0 o  141.455   20.692  270.846   70.930   0.0000   0.0000  270.846   70.930  ?   ?   141.455   20.692 0.000000 20.69165 
1 1 1    7   30    1 o  203.236   12.669  529.812   63.976  514.843   92.687  543.432   88.416  197.076   19.072  203.386   17.581 -6.310715 25.93943 
1 1 1    7   30    2 o  113.719   13.252  167.501   36.926  171.101   47.159  161.795   59.364  113.629   17.154  108.265   22.684 5.364143 28.43963 
1 1 1    7   30    3 o  170.337   12.906  372.360   54.488  422.025   78.326  325.786   75.849  179.334   17.722  156.382   19.872 22.95172 26.62602 
1 1 1    7   30    4 o  160.973   14.317  334.508   56.952  296.142   64.715  466.268  119.929  150.131   17.595  183.399   26.994 -33.26817 32.22207 
1 1 1    7   30    5 o  205.903   12.396  541.324   63.439  541.592   95.373  541.112   84.959  202.963   19.040  203.986   16.829 -1.023575 25.41113 
1 1 1    7   30    6 o  228.472   12.698  666.338   72.162  682.101  112.261  655.238   94.203  227.588   19.954  224.671   16.915 2.917603 26.15877 
1 1 1    7   30    7 o  210.571   11.466  563.703   60.065  480.542   90.866  628.241   80.048  191.231   19.292  221.143   14.577 -29.91211 24.17974 
1 1 1    7   30    8 o   55.559   15.575   40.737   22.479   34.399   25.405   63.601   48.253   52.319   16.991   70.421   23.444 -18.10208 28.95366 
1 1 1    7   30    9 f   90.273   12.953  105.611   28.363  100.538   35.773  114.199   46.542   86.955   17.084   91.791   20.787 -4.836021 26.90643 
1 1 1    7   30   10 o  101.747   12.082  133.032   30.098  123.862   39.147  146.289   47.069   96.876   16.790  104.897   18.652 -8.020546 25.09630 
1 1 1    7   30   11 o  102.799   12.153  135.757   30.595  142.538   40.770  127.016   46.290  104.300   16.177   97.302   19.726 6.998405 25.51115 
1 1 1    7   30   12 o  140.709   12.375  252.925   43.042  337.271   64.279  184.363   57.953  161.468   16.159  117.517   20.493 43.95121 26.09749 
1 1 1    7   30   13 o   87.187   14.948   99.583   31.373  106.025   35.307   75.410   68.392   89.654   16.374   78.484   27.839 11.16982 32.29719 
1 1 1    7   30   14 o  234.358   12.418  698.022   72.415  766.905  118.598  657.075   91.440  242.514   19.755  225.922   16.318 16.59140 25.62292 
1 1 1    7   30   15 o  172.823   14.810  383.414   63.297   0.0000   0.0000  383.414   63.297  ?   ?   172.823   14.810 0.000000 14.80980 
1 1 1    7   30   16 o  245.523   12.582  765.878   76.883  836.167  126.738  724.951   96.710  253.211   20.212  237.422   16.412 15.78888 26.03634 
1 1 1    7   30   17 o   86.625   23.941  101.843   53.514   0.0000   0.0000  101.843   53.514  ?   ?    86.625   23.941 0.000000 23.94091 
1 1 1    7   30   18 o  220.252   12.027  615.520   65.901  694.420  108.645  569.593   82.891  231.329   18.974  210.599   15.878 20.73032 24.74173 
1 1 1    7   30   19 o  171.203   11.193  371.655   47.587  432.578   76.911  333.865   60.575  183.010   17.024  161.159   15.232 21.85123 22.84406 
1 1 1    7   30   20 o  169.899   11.239  366.048   47.414  449.920   77.583  316.046   59.903  186.768   16.815  156.695   15.513 30.07280 22.87751 
1 1 1    7   30   21 f  125.132   11.017  199.097   34.073  269.578   54.751  154.545   43.530  144.652   15.394  108.791   16.544 35.86066 22.59839 
1 1 1    7   30   22 o   55.188   14.311   40.153   19.889   48.230   29.330   33.278   27.060   60.785   18.028   52.355   17.558 8.429855 25.16496 
1 1 1    7   30   23 o  208.508   11.765  551.152   61.011  735.018  103.993  454.652   75.339  238.802   17.562  188.006   16.205 50.79613 23.89646 
1 1 1    7   30   24 o   58.455   14.184   45.125   20.495   38.728   32.068   49.543   26.647   56.522   19.113   61.264   16.878 -4.741203 25.49849 
1 1 1    7   30   25 o  151.563   20.765  302.566   76.527   0.0000   0.0000  302.566   76.527  ?   ?   151.563   20.765 0.000000 20.76543 
1 1 1    7   30   26 o  146.756   10.896  273.200   39.646  296.283   63.977  258.809   50.514  151.152   17.259  141.967   14.450 9.185165 22.50972 
1 1 1    7   30   27 o  254.583   13.051  823.716   82.693  1115.37  140.213  668.166  102.398  293.458   19.240  227.301   18.193 66.15729 26.47909 
1 1 1    7   30   28 o   91.007   15.159  108.241   33.238  147.497   41.043   33.436   56.657  106.359   15.945   62.762   24.677 43.59751 29.38032 
1 1 1    7   30   29 o  237.997   10.505  714.666   62.434  818.076   86.156  600.307   90.602  253.377   13.667  215.726   16.955 37.65051 21.77746 
1 1 1    7   31    0 o  246.537   12.611  783.441   77.380  653.037  114.341  893.630  105.105  218.881   21.184  260.721   16.224 -41.84023 26.68304 
1 1 1    7   31    1 o  260.155   24.465  938.704  157.069   0.0000   0.0000  938.704  157.069  ?   ?   260.155   24.465 0.000000 24.46474 
1 1 1    7   31    2 o  252.947   13.816  825.984   86.938  866.979  134.180  796.321  114.137  253.499   21.396  244.973   18.801 8.526901 28.48296 
1 1 1    7   31    3 o  183.326   12.336  431.270   56.145  409.927   80.007  451.979   78.810  175.798   18.503  185.381   17.221 -9.583099 25.27653 
1 1 1    7   31    4 o   77.502   15.548   80.172   29.045  100.510   34.822   33.673   52.653   86.652   16.698   60.492   23.788 26.16066 29.06354 
1 1 1    7   31    5 o  204.050   15.530  540.236   78.541  545.571   95.312  528.950  138.638  203.192   19.005  192.771   29.758 10.42093 35.30886 
1 1 1    7   31    6 o  276.075   12.772  972.613   88.050  864.007  139.531  1044.48  113.504  253.942   22.227  283.907   16.076 -29.96500 27.43106 
1 1 1    7   31    7 o  136.443   11.305  237.849   38.172  181.776   50.875  310.074   57.740  117.037   17.983  154.619   15.149 -37.58219 23.51297 
1 1 1    7   31    8 o   76.049   14.276   76.305   26.116   79.438   31.756   69.759   45.903   76.970   16.977   72.372   22.771 4.597778 28.40320 
1 1 1    7   31    9 o  144.914   11.900  268.430   42.682  268.178   59.911  268.689   60.822  143.117   17.102  143.153   17.370 -0.3575134E-01 24.37635 
1 1 1    7   31   10 o   75.595   24.393   75.625   52.419   0.0000   0.0000   75.625   52.419  ?   ?    75.595   24.393 0.000000 24.39347 
1 1 1    7   31   11 o  234.111   12.592  698.746   73.346  725.084  116.766  681.582   94.263  234.825   20.106  229.497   16.559 5.328186 26.04728 
1 1 1    7   31   12 f  102.212   12.392  134.526   30.983  140.930   41.259  126.244   46.918  103.498   16.519   96.766   20.074 6.732239 25.99736 
1 1 1    7   31   13 o  143.055   11.908  261.203   42.152  309.187   62.575  221.340   57.035  154.273   16.498  129.719   18.100 24.55478 24.49111 
1 1 1    7   31   14 o   64.160   16.099   54.846   25.751   56.276   28.044   47.157   65.033   64.950   17.068   69.047   26.639 -4.097069 31.63720 
1 1 1    7   31   15 o  286.218   12.860  1040.70   91.918  994.535  152.269  1067.18  115.294  274.275   22.428  288.031   16.094 -13.75644 27.60479 
1 1 1    7   31   16 o  113.170   17.843  168.757   48.754   0.0000   0.0000  168.757   48.754  ?   ?   113.170   17.843 0.000000 17.84261 
1 1 1    7   31   17 o  139.731   11.189  248.412   38.713  258.025   58.062  240.718   51.945  140.819   16.846  136.368   15.531 4.450531 22.91245 
1 1 1    7   31   18 o  247.029   12.194  773.321   75.225  793.029  124.750  762.059   94.298  246.141   20.482  243.634   15.581 2.507385 25.73455 
1 1 1    7   31   19 f  223.464   14.850  639.747   82.396   0.0000   0.0000  639.747   82.396  ?   ?   223.464   14.850 0.000000 14.85000 
1 1 1    7   31   20 o  126.388   11.530  203.660   35.990  286.647   56.874  148.233   46.480  149.019   15.511  105.882   18.237 43.13679 23.94107 
1 1 1    7   31   21 o   97.813   12.506  123.151   29.847  241.486   46.627   41.003   38.849  137.149   13.802   59.381   20.990 77.76819 25.12143 
1 1 1    7   31   22 o   73.581   13.505   70.854   23.901   99.517   36.749   49.842   31.465   86.524   17.607   61.833   18.748 24.69119 25.71997 
1 1 1    7   31   23 o   85.976   14.046   96.345   29.115  120.908   40.891   71.088   41.465   95.542   17.794   73.060   21.371 22.48177 27.80917 
1 1 1    7   31   24 o  163.207   11.024  337.966   44.666  432.805   75.551  287.006   55.382  183.025   16.715  149.276   15.063 33.74931 22.50036 
1 1 1    7   31   25 o  325.285   13.982  1346.29  113.577  2031.53  196.723  1003.66  139.103  395.302   19.993  277.404   20.220 117.8975 28.43547 
1 1 1    7   31   26 o   92.141   24.578  116.247   57.595   0.0000   0.0000  116.247   57.595  ?   ?    92.141   24.578 0.000000 24.57802 
1 1 1    7   31   27 o  120.122   11.862  184.414   35.117  222.612   53.480  155.459   46.562  130.710   16.771  108.586   17.788 22.12440 24.44743 
1 1 1    7   31   28 o   88.647   13.263  101.982   28.458  125.699   40.389   78.596   40.105   97.528   17.213   76.359   20.570 21.16863 26.82212 
1 1 1    7   31   29 o   99.124   14.037  127.603   33.775  131.069   41.091  120.384   59.301   99.605   17.138   93.425   24.948 6.179634 30.26794 
1 1 1    7   31   30 o  327.155   14.584  1368.82  119.145  1553.55  202.608  1271.17  147.307  341.081   23.939  312.210   18.984 28.87115 30.55291 
1 1 1    7   32    0 o   80.146   15.429   87.186   29.758   83.697   34.497   97.332   58.831   77.475   18.149   81.240   25.803 -3.764984 31.54659 
1 1 1    7   32    1 o   65.176   15.356   57.824   24.583   34.276   27.504  151.367   54.819   51.996   17.700  103.270   21.934 -51.27434 28.18510 
1 1 1    7   32    2 o   46.719   16.183   26.520   23.021   25.964   25.229   29.287   56.267   47.188   16.890   59.489   24.181 -12.30150 29.49562 
1 1 1    7   32    3 o  195.358   12.416  491.956   60.256  440.639   86.102  541.210   84.354  180.852   19.366  202.341   16.848 -21.48929 25.66881 
1 1 1    7   32    4 o   81.484   15.023   88.568   29.443   97.354   35.282   68.415   53.435   84.776   17.253   71.846   24.668 12.93019 30.10241 
1 1 1    7   32    5 o  142.627   13.174  263.230   46.391  302.377   63.367  218.012   68.103  151.225   17.079  125.528   22.555 25.69732 28.29160 
1 1 1    7   32    6 f   65.492   16.073   57.822   26.092   63.735   30.048   39.695   52.608   68.546   17.495   62.192   23.969 6.353683 29.67484 
1 1 1    7   32    7 o  321.623   13.575  1326.96  109.025  1146.09  175.893  1439.80  138.934  289.496   24.562  332.306   16.797 -42.81049 29.75652 
1 1 1    7   32    8 o  189.990   11.041  459.997   52.156  340.275   74.714  573.793   72.841  160.033   19.071  211.062   13.898 -51.02882 23.59809 
1 1 1    7   32    9 o  118.929   12.885  182.587   37.655  202.360   50.415  157.639   56.630  123.965   16.712  107.216   21.891 16.74812 27.54109 
1 1 1    7   32   10 o   38.018   14.235   14.197   18.234   10.921   20.197   28.638   42.403   37.485   14.735   55.420   21.474 -17.93521 26.04349 
1 1 1    7   32   11 o  229.599   22.273  705.526  126.095   0.0000   0.0000  705.526  126.095  ?   ?   229.599   22.273 0.000000 22.27279 
1 1 1    7   32   12 o  146.999   11.430  275.795   41.626  244.884   58.454  307.597   59.291  136.440   17.564  153.890   15.646 -17.44978 23.52238 
1 1 1    7   32   13 o   65.304   15.071   56.817   24.079   55.289   29.034   60.183   43.092   64.283   17.581   68.040   22.131 -3.756821 28.26405 
1 1 1    7   32   14 o  166.121   11.419  351.508   47.082  341.035   70.211  360.065   63.468  161.412   17.710  166.814   15.410 -5.402451 23.47562 
1 1 1    7   32   15 o  232.196   20.153  709.654  115.696  709.654  115.696   0.0000   0.0000  232.196   20.153  ?   ?  0.000000 20.15312 
1 1 1    7   32   16 o  129.954   11.550  215.695   37.090  216.475   53.263  214.960   51.680  128.552   17.010  128.262   16.519 0.2899170 23.71097 
1 1 1    7   32   17 o  129.852   11.021  214.883   35.400  184.517   51.196  242.702   49.002  118.266   17.894  137.083   14.536 -18.81680 23.05453 
1 1 1    7   32   18 o   71.047   14.029   66.529   24.007   49.335   31.312   91.052   37.395   61.406   18.722   82.289   18.631 -20.88349 26.41245 
1 1 1    7   32   19 o  215.370   11.658  589.423   62.465  595.050  102.352  586.084   78.852  213.155   19.443  213.596   14.876 -0.4411163 24.48094 
1 1 1    7   32   20 o  104.772   24.380  151.124   62.588   0.0000   0.0000  151.124   62.588  ?   ?   104.772   24.380 0.000000 24.37986 
1 1 1    7   32   21 o  107.146   12.235  147.446   32.150  221.988   50.562   96.857   41.654  130.714   15.812   84.656   20.018 46.05788 25.50962 
1 1 1    7   32   22 o  147.846   11.376  278.284   41.679  401.818   68.913  207.036   52.335  176.384   15.813  125.763   17.108 50.62111 23.29736 
1 1 1    7   32   23 o  121.022   11.524  187.093   34.408  379.556   57.215   78.053   43.065  172.199   13.411   76.093   21.638 96.10576 25.45666 
1 1 1    7   32   24 o  146.169   12.947  273.625   46.769  265.663   65.513  281.899   66.789  142.023   18.945  146.460   18.687 -4.437088 26.61036 
1 1 1    7   32   25 o  263.900   12.603  884.777   83.052  1338.00  143.084  654.499  101.991  321.281   17.906  224.148   18.383 97.13232 25.66200 
1 1 1    7   32   26 f  136.599   11.677  238.191   39.448  398.424   65.065  145.060   49.604  175.845   14.959  103.975   19.828 71.87048 24.83835 
1 1 1    7   32   27 o   51.755   21.719   9.2680   47.399   0.0000   0.0000   9.2680   47.399  ?   ?    51.755   21.719 0.000000 21.71889 
1 1 1    7   32   28 o   90.720   14.464  107.744   31.667  179.324   45.155   38.470   44.422  117.122   15.846   59.806   22.253 57.31566 27.31781 
1 1 1    7   32   29 o   67.630   15.708   61.133   26.020   82.087   33.813   30.705   40.746   78.085   17.744   55.622   21.177 22.46259 27.62822 
1 1 1    7   32   30 o  224.408   11.457  641.434   63.991  636.384   75.752  654.017  119.571  222.585   13.695  220.945   21.963 1.639984 25.88265 
1 1 1    7   32   31 o  134.545   21.141  245.044   68.689   0.0000   0.0000  245.044   68.689  ?   ?   134.545   21.141 0.000000 21.14140 
1 1 1    7   33    0 o   26.938   12.021  -5.3720   16.452  -7.0853   17.298   10.873   53.264   27.074   12.185   52.009   22.456 -24.93578 25.54917 
1 1 1    7   33    1 o   75.537   15.794   78.664   28.834   79.987   33.508   74.887   56.604   75.269   18.058   72.087   25.352 3.181831 31.12621 
1 1 1    7   33    2 o   69.450   16.500   66.777   28.193   82.663   32.688   20.641   55.707   77.068   17.397   56.058   23.536 21.00947 29.26800 
1 1 1    7   33    3 o  232.325   12.617  701.098   72.926  612.143  107.935  775.813   98.919  210.176   20.840  241.145   16.526 -30.96935 26.59729 
1 1 1    7   33    4 o  129.971   25.332  245.574   79.263   0.0000   0.0000  245.574   79.263  ?   ?   129.971   25.332 0.000000 25.33194 
1 1 1    7   33    5 f  119.923   12.370  186.870   36.512  142.224   45.938  263.455   60.167  101.868   18.750  140.068   17.589 -38.19904 25.70864 
1 1 1    7   33    6 o  248.276   12.607  794.589   77.903  689.822  118.856  873.495  103.149  224.737   21.438  257.828   16.101 -33.09015 26.81163 
1 1 1    7   33    7 o  200.042   12.713  515.904   63.177  521.615   93.443  511.094   85.744  197.261   19.213  196.264   17.685 0.9961700 26.11346 
1 1 1    7   33    8 o   87.487   16.992  103.196   35.783  113.822   38.447   34.384   97.838   91.840   17.401   73.155   30.977 18.68501 35.53037 
1 1 1    7   33    9 o  190.139   11.770  463.121   55.611  410.798   81.254  509.228   76.274  175.610   18.822  197.576   15.586 -21.96565 24.43755 
1 1 1    7   33   10 o  164.443   11.264  345.770   45.975  277.031   64.721  415.784   65.319  144.259   18.384  178.953   14.748 -34.69351 23.56844 
1 1 1    7   33   11 o  125.904   11.995  203.866   37.256  187.090   50.108  224.604   55.710  118.671   17.428  130.146   17.593 -11.47530 24.76370 
1 1 1    7   33   12 f  205.458   13.713  543.532   69.953  502.434   92.578  598.221  106.794  194.646   19.301  211.800   20.446 -17.15393 28.11675 
1 1 1    7   33   13 o  110.055   20.311  164.153   53.762   0.0000   0.0000  164.153   53.762  ?   ?   110.055   20.311 0.000000 20.31054 
1 1 1    7   33   14 o   69.125   18.002   64.554   31.381   64.554   31.381   0.0000   0.0000   69.125   18.002  ?   ?  0.000000 18.00178 
1 1 1    7   33   15 o   94.688   13.195  116.566   30.352  124.080   40.139  106.532   46.383   96.488   17.294   88.096   21.315 8.391548 27.44842 
1 1 1    7   33   16 o  242.840   13.057  754.663   78.891  898.744  129.747  670.149   99.370  260.890   20.069  226.490   17.710 34.40062 26.76626 
1 1 1    7   33   17 o  200.835   14.561  519.735   72.529  558.434   96.221  468.817  110.371  206.078   18.909  185.618   24.403 20.46017 30.87129 
1 1 1    7   33   18 o  172.058   11.769  377.742   50.264  437.169   79.333  337.888   64.967  182.842   17.592  161.057   16.381 21.78448 24.03821 
1 1 1    7   33   19 o  297.134   13.449  1127.22   99.791  1140.96  168.025  1119.74  124.035  291.880   23.245  293.795   16.979 -1.914490 28.78573 
1 1 1    7   33   20 o  267.475   12.953  911.830   86.519  1046.56  145.835  838.654  107.476  281.354   20.906  254.134   17.034 27.21974 26.96705 
1 1 1    7   33   21 f  127.516   23.824  222.841   73.074   0.0000   0.0000  222.841   73.074  ?   ?   127.516   23.824 0.000000 23.82424 
1 1 1    7   33   22 o  129.914   11.988  216.189   38.454  459.990   64.112   79.198   48.058  189.313   13.653   76.538   23.162 112.7744 26.88685 
1 1 1    7   33   23 o  221.369   12.156  624.882   66.941  1023.40  114.817  419.663   82.394  281.179   16.424  178.616   18.752 102.5634 24.92751 
1 1 1    7   33   24 o  181.296   11.662  419.057   52.516  510.104   88.035  368.757   65.434  197.383   18.061  168.582   15.725 28.80020 23.94703 
1 1 1    7   33   25 o  390.547   19.985  2006.69  194.251  2185.18  274.366  1827.29  275.060  398.374   27.753  360.243   30.874 38.13055 41.51449 
1 1 1    7   33   26 o  137.921   11.635  243.378   39.698  377.954   65.580  165.542   49.874  170.633   15.562  111.330   18.596 59.30291 24.24799 
1 1 1    7   33   27 o  121.153   12.183  188.762   36.360  256.414   56.952  142.214   47.241  139.800   16.641  102.743   19.116 37.05717 25.34432 
1 1 1    7   33   28 f   70.920   24.883   63.596   54.511   0.0000   0.0000   63.596   54.511  ?   ?    70.920   24.883 0.000000 24.88271 
1 1 1    7   33   29 o  112.340   13.280  163.816   36.535  248.626   53.727   90.864   49.830  137.694   15.919   80.888   23.362 56.80622 28.26959 
1 1 1    7   33   30 o  107.793   12.903  150.861   34.043  182.037   47.494  117.919   48.821  117.152   16.708   92.146   21.594 25.00600 27.30286 
1 1 1    7   33   31 o   46.037   11.486   28.095   13.161   27.625   14.047   31.471   37.656   45.665   12.118   54.309   20.432 -8.644028 23.75559 
1 1 1    7   34    0 o   80.363   15.726   91.107   30.430   79.809   35.112  125.199   60.993   73.310   19.018   86.657   26.065 -13.34653 32.26510 
1 1 1    7   34    1 f   42.928   16.053   21.068   23.176   26.841   23.624 -126.9887  119.634   46.056   16.359   54.081   26.465 -8.024921 31.11322 
1 1 1    7   34    2 o   75.088   16.851   79.657   30.821  106.716   36.365   10.651   58.073   86.936   17.359   53.267   23.221 33.66848 28.99209 
1 1 1    7   34    3 o   47.668   16.223   29.347   23.107   32.725   25.671   14.932   53.031   50.091   17.100   52.973   22.631 -2.882240 28.36490 
1 1 1    7   34    4 o  181.558   12.534  431.656   56.480  385.449   78.934  480.135   80.851  166.318   19.368  187.553   17.464 -21.23524 26.07862 
1 1 1    7   34    5 o  138.196   25.168  282.547   83.655   0.0000   0.0000  282.547   83.655  ?   ?   138.196   25.168 0.000000 25.16814 
1 1 1    7   34    6 o  234.010   12.692  712.206   73.891  636.888  111.845  770.542   98.431  213.781   21.231  240.166   16.513 -26.38496 26.89692 
1 1 1    7   34    7 o  241.925   13.037  760.675   78.471  732.657  121.333  780.820  102.884  230.008   21.369  241.697   17.158 -11.68898 27.40455 
1 1 1    7   34    8 o   51.602   16.586   34.773   24.251   51.635   27.928 -16.9235   48.902   61.457   17.407   45.177   20.396 16.27980 26.81386 
1 1 1    7   34    9 o  216.206   15.516  614.231   83.213  608.604  104.063  624.209  138.577  211.882   19.901  207.655   27.392 4.227005 33.85833 
1 1 1    7   34   10 o   84.767   14.989   95.933   30.568  110.646   37.746   67.894   52.108   90.294   17.371   71.172   24.362 19.12223 29.92070 
1 1 1    7   34   11 o  120.241   11.902  186.785   35.267  132.547   45.543  268.023   55.737   98.383   19.227  142.525   15.933 -44.14240 24.97054 
1 1 1    7   34   12 o  129.526   18.749  225.856   58.879   0.0000   0.0000  225.856   58.879  ?   ?   129.526   18.749 0.000000 18.74872 
1 1 1    7   34   13 o  103.455   17.843  144.067   44.433  144.067   44.433   0.0000   0.0000  103.455   17.843  ?   ?  0.000000 17.84348 
1 1 1    7   34   14 o  182.935   22.503  456.978  100.630   0.0000   0.0000  456.978  100.630  ?   ?   182.935   22.503 0.000000 22.50269 
1 1 1    7   34   15 o  106.534   13.401  147.783   34.862  188.096   47.911  102.427   50.821  119.215   16.539   85.514   23.206 33.70089 28.49711 
1 1 1    7   34   16 o  209.660   11.351  561.261   59.210  477.044   92.855  618.969   76.864  188.886   19.990  218.896   14.137 -30.00919 24.48344 
1 1 1    7   34   17 o  188.637   12.003  455.668   56.246  508.328   88.941  420.573   72.608  196.106   18.376  179.269   16.401 16.83717 24.63067 
1 1 1    7   34   18 o  109.188   15.593  156.965   41.309  197.318   50.941   79.465   70.596  122.021   17.195   78.659   28.243 43.36288 33.06551 
1 1 1    7   34   19 o  250.798   12.896  806.550   80.491  936.958  134.466  733.730  100.482  265.236   20.460  236.827   17.106 28.40956 26.66831 
1 1 1    7   34   20 o  164.236   12.174  345.855   49.572  555.017   80.761  219.409   62.794  206.565   15.776  127.424   20.424 79.14120 25.80713 
1 1 1    7   34   21 o  128.709   12.325  213.233   39.129  290.447   61.945  161.969   50.473  148.564   17.003  109.645   19.130 38.91955 25.59427 
1 1 1    7   34   22 o  105.514   26.536  158.838   69.851   0.0000   0.0000  158.838   69.851  ?   ?   105.514   26.536 0.000000 26.53595 
1 1 1    7   34   23 o  125.504   12.179  202.761   37.688  392.398   62.559   94.724   47.219  174.015   14.529   82.632   22.346 91.38299 26.65403 
1 1 1    7   34   24 o  115.967   12.203  173.458   34.809  237.785   56.707  134.564   44.094  134.018   17.352   99.936   18.345 34.08150 25.25110 
1 1 1    7   34   25 o  133.379   12.102  228.909   39.870  347.445   65.782  160.084   50.125  162.717   16.413  108.824   19.144 53.89296 25.21692 
1 1 1    7   34   26 o  215.413   14.542  601.456   77.766  695.377  108.599  502.607  111.411  228.666   19.196  191.020   23.877 37.64563 30.63685 
1 1 1    7   34   27 o   53.657   16.894   37.531   25.263   74.498   36.973   5.1578   34.599   73.597   19.719   43.652   18.450 29.94488 27.00434 
1 1 1    7   34   28 o   72.554   16.537   71.346   29.295  142.903   41.173  -2.0213   41.691  103.475   16.488   45.325   19.718 58.15025 25.70308 
1 1 1    7   34   29 o   65.049   24.874   46.995   56.365   0.0000   0.0000   46.995   56.365  ?   ?    65.049   24.874 0.000000 24.87417 
1 1 1    7   34   30 o   45.822   16.265   24.551   23.351   20.094   28.291   34.077   41.360   45.750   17.592   56.278   21.358 -10.52825 27.67030 
1 1 1    7   34   31 o  125.851   13.134  206.585   40.668  282.742   58.274  134.279   56.781  145.887   16.273   96.640   23.708 49.24683 28.75528 
1 1 1    7   34   32 o  164.636   9.5156  346.056   38.955  358.149   49.189  325.713   63.797  166.473   11.911  156.255   16.604 10.21754 20.43476 
1 1 1    7   35    0 o   56.701   17.091   47.809   26.204   37.909   29.111   90.080   60.156   51.517   18.175   71.293   26.003 -19.77582 31.72534 
1 1 1    7   35    1 o   97.804   14.558  133.736   34.471  107.728   40.539  201.632   65.499   83.960   19.678  110.855   24.329 -26.89495 31.29074 
1 1 1    7   35    2 o  154.920   16.117  336.621   61.439  322.228   68.579  395.145  138.286  148.615   18.907  133.025   39.062 15.59052 43.39719 
1 1 1    7   35    3 o   82.559   15.350   95.418   30.482   87.842   35.831  115.263   57.992   77.195   18.769   83.786   25.464 -6.591072 31.63346 
1 1 1    7   35    4 o   98.001   14.385  131.171   34.156  127.667   41.664  138.353   59.647   94.243   18.364   93.101   25.089 1.142044 31.09140 
1 1 1    7   35    5 o   75.139   16.199   79.188   29.501   87.351   34.514   57.048   56.839   78.081   18.060   65.062   24.955 13.01862 30.80464 
1 1 1    7   35    6 o  145.482   12.474  278.951   44.880  245.867   59.651  322.112   68.133  132.462   18.541  152.024   18.316 -19.56189 26.06230 
1 1 1    7   35    7 o  182.183   18.930  461.213   84.865   0.0000   0.0000  461.213   84.865  ?   ?   182.183   18.930 0.000000 18.93040 
1 1 1    7   35    8 o  105.338   13.457  147.368   34.590  125.137   43.307  186.542   57.487   94.212   19.062  114.353   20.902 -20.14013 28.28865 
1 1 1    7   35    9 o  217.969   12.021  616.868   65.177  505.866   97.344  707.066   87.749  190.203   20.836  230.699   15.319 -40.49660 25.86096 
1 1 1    7   35   10 o  237.898   11.966  732.796   70.862  581.536  108.077  846.855   93.850  203.891   21.554  253.338   14.900 -49.44708 26.20268 
1 1 1    7   35   11 o   72.947   30.012   54.846   88.001   0.0000   0.0000   54.846   88.001  ?   ?    72.947   30.012 0.000000 30.01209 
1 1 1    7   35   12 o  200.706   19.625  549.121   97.100  549.121   97.100   0.0000   0.0000  200.706   19.625  ?   ?  0.000000 19.62463 
1 1 1    7   35   13 o   65.096   15.934   57.802   25.692   37.210   30.705  105.878   46.917   54.295   18.696   86.304   21.771 -32.00964 28.69719 
1 1 1    7   35   14 o  187.725   12.060  454.635   56.235  448.109   85.707  459.567   74.518  182.046   19.140  186.399   16.169 -4.352646 25.05550 
1 1 1    7   35   15 o  167.913   23.236  393.992   94.818   0.0000   0.0000  393.992   94.818  ?   ?   167.913   23.236 0.000000 23.23557 
1 1 1    7   35   16 o   45.980   16.112   25.181   22.852   0.2413   27.530   80.442   40.979   37.703   16.211   75.870   20.943 -38.16713 26.48419 
1 1 1    7   35   17 o   54.498   16.726   39.349   24.942   32.775   31.252   50.880   41.393   52.576   18.801   62.898   21.704 -10.32238 28.71494 
1 1 1    7   35   18 o  111.113   13.116  160.991   35.691  199.038   51.991  127.080   49.084  121.802   17.604   95.431   21.153 26.37125 27.51964 
1 1 1    7   35   19 o   69.699   18.244   66.635   32.124   90.638   39.317   18.433   55.716   80.901   19.655   56.719   23.656 24.18228 30.75568 
1 1 1    7   35   20 o   44.592   16.671   20.680   24.991   30.428   34.085   9.3456   36.752   52.533   19.503   45.985   19.198 6.547729 27.36689 
1 1 1    7   35   21 o  173.961   11.762  388.940   50.797  390.620   82.828  387.927   64.310  169.991   19.888  172.162   15.111 -2.171448 24.97771 
1 1 1    7   35   22 o  158.102   11.770  321.591   46.136  362.338   75.983  297.796   58.065  164.250   18.868  150.398   15.692 13.85146 24.54013 
1 1 1    7   35   23 o  197.293   12.274  501.236   60.172  673.404  100.576  405.257   75.094  224.990   18.053  174.606   17.456 50.38330 25.11262 
1 1 1    7   35   24 o   65.918   16.608   59.172   27.326  104.419   43.295   29.212   35.230   86.586   20.365   52.375   19.751 34.21096 28.36977 
1 1 1    7   35   25 o  171.020   11.893  376.709   50.474  547.140   84.578  282.440   62.903  203.332   16.808  145.236   17.711 58.09676 24.41661 
1 1 1    7   35   26 o   54.729   17.143   39.609   26.049   67.377   38.430   16.007   35.430   69.757   20.623   47.424   19.220 22.33230 28.19081 
1 1 1    7   35   27 o  108.946   15.353  157.823   40.611  165.730   53.172  146.753   62.913  109.415   20.205  100.355   25.154 9.059822 32.26357 
1 1 1    7   35   28 o  135.635   12.698  239.323   42.507  377.095   66.324  143.285   55.375  168.715   15.931  100.199   22.662 68.51665 27.70110 
1 1 1    7   35   29 o  108.073   14.243  154.535   37.503  233.966   54.523   83.207   51.668  131.936   16.940   76.378   24.173 55.55843 29.51795 
1 1 1    7   35   30 o   68.420   25.845   58.342   60.385   0.0000   0.0000   58.342   60.385  ?   ?    68.420   25.845 0.000000 25.84499 
1 1 1    7   35   31 o  108.787   14.258  157.192   37.801  225.892   51.982   80.090   55.068  129.532   16.440   74.831   25.047 54.70138 29.96080 
1 1 1    7   35   32 o  149.591   13.104  293.439   48.456  389.606   71.167  210.328   66.160  169.882   17.004  120.779   22.771 49.10351 28.41936 
1 1 1    7   35   33 o   63.814   14.018   55.354   21.727   61.315   25.009   37.005   43.878   66.820   15.315   57.102   21.920 9.718575 26.74028 
1 1 1    7   36    0 o   38.883   19.029 -69.0553   61.854   0.0000   0.0000 -69.0553   61.854  ?   ?    38.883   19.029 0.000000 19.02868 
1 1 1    7   36    1 o   37.187   15.052   12.850   21.700   15.487   23.466  -2.7183   57.018   39.136   15.718   46.600   21.414 -7.464138 26.56342 
1 1 1    7   36    2 o   86.414   15.892  108.807   33.031  104.706   38.994  119.224   62.152   81.901   19.370   79.742   26.610 2.158272 32.91297 
1 1 1    7   36    3 o   65.220   17.028   63.416   28.032   59.425   31.847   77.138   59.060   62.283   18.857   67.477   25.543 -5.194439 31.74933 
1 1 1    7   36    4 o   78.854   18.101   92.656   34.890   91.329   36.683  105.244  112.999   77.595   19.067   74.993   32.544 2.601402 37.71811 
1 1 1    7   36    5 o   56.356   16.878   45.897   25.615   37.829   29.095   73.692   54.006   52.224   18.187   68.130   24.671 -15.90584 30.64966 
1 1 1    7   36    6 o   69.088   16.971   68.988   29.068   85.455   34.235   26.448   55.026   76.354   18.211   54.917   23.242 21.43641 29.52644 
1 1 1    7   36    7 o   68.616   16.289   66.976   27.494   53.069   32.043  105.792   53.533   60.564   19.020   81.535   24.395 -20.97039 30.93318 
1 1 1    7   36    8 f  226.684   25.444  793.128  141.542   0.0000   0.0000  793.128  141.542  ?   ?   226.684   25.444 0.000000 25.44354 
1 1 1    7   36    9 o  118.655   13.475  188.370   39.219  185.996   51.274  191.718   60.883  114.667   18.539  113.643   22.250 1.024704 28.96130 
1 1 1    7   36   10 o  174.354   18.039  421.398   77.403   0.0000   0.0000  421.398   77.403  ?   ?   174.354   18.039 0.000000 18.03864 
1 1 1    7   36   11 o   67.765   19.215   65.655   34.011   65.655   34.011   0.0000   0.0000   67.765   19.215  ?   ?  0.000000 19.21483 
1 1 1    7   36   12 o  122.894   15.428  203.689   46.304  198.959   53.197  218.474   94.055  119.653   18.393  114.474   31.777 5.179344 36.71597 
1 1 1    7   36   13 o  171.339   11.687  381.631   49.706  332.236   72.787  424.796   68.042  154.730   19.254  178.259   15.438 -23.52930 24.67883 
1 1 1    7   36   14 o   72.480   15.797   72.176   27.785   61.687   34.608   91.196   46.603   66.202   19.570   79.059   22.518 -12.85759 29.83399 
1 1 1    7   36   15 o  245.430   12.481  783.234   76.242  712.823  122.484  827.772   97.415  224.876   22.097  249.466   15.718 -24.59032 27.11679 
1 1 1    7   36   16 o  182.016   12.036  429.889   54.400  409.105   82.558  445.838   72.321  172.405   19.520  182.783   16.006 -10.37801 25.24299 
1 1 1    7   36   17 o  196.484   16.169  514.700   78.628   0.0000   0.0000  514.700   78.628  ?   ?   196.484   16.169 0.000000 16.16863 
1 1 1    7   36   18 o  100.489   14.814  134.872   36.059  279.289   53.518   14.798   48.799  145.166   14.979   52.384   22.013 92.78214 26.62554 
1 1 1    7   36   19 o  103.254   13.570  140.780   34.142  127.205   50.211  152.454   46.562   94.339   21.758  105.292   18.377 -10.95338 28.48031 
1 1 1    7   36   20 o  436.077   18.187  2553.34  198.054  2681.82  339.998  2487.36  243.663  414.052   33.161  420.681   23.285 -6.629181 40.51991 
1 1 1    7   36   21 o  160.264   14.672  338.719   58.067  398.804   79.902  271.469   84.531  171.034   19.031  136.097   25.817 34.93732 32.07303 
1 1 1    7   36   22 o  274.310   13.028  975.804   89.244  943.194  151.140  993.260  110.580  258.151   23.710  273.539   16.262 -15.38794 28.75107 
1 1 1    7   36   23 o  237.921   12.384  733.381   73.322  855.089  125.362  670.098   90.396  249.586   20.289  224.500   16.234 25.08577 25.98459 
1 1 1    7   36   24 o   39.181   16.455   5.6221   27.244   8.7335   43.275   3.5792   35.065   48.411   20.557   42.926   18.372 5.485352 27.57002 
1 1 1    7   36   25 o   95.412   27.129  138.104   67.701   0.0000   0.0000  138.104   67.701  ?   ?    95.412   27.129 0.000000 27.12888 
1 1 1    7   36   26 o   99.172   14.178  130.928   34.113  207.656   53.270   77.589   44.415  123.353   17.809   73.638   22.263 49.71476 28.50993 
1 1 1    7   36   27 o   96.281   14.950  124.509   34.779  177.300   51.836   81.288   46.903  113.039   19.040   75.036   22.921 38.00303 29.79779 
1 1 1    7   36   28 f  229.431   16.152  703.896   91.949  868.653  126.204  517.492  134.239  250.214   20.375  182.008   30.622 68.20500 36.78139 
1 1 1    7   36   29 o  127.511   13.274  214.440   41.647  339.300   63.723  121.342   55.024  158.677   16.314   90.238   24.001 68.43900 29.02054 
1 1 1    7   36   30 o   67.968   17.647   64.867   30.216   87.726   39.422   32.310   47.047   78.150   20.089   56.318   22.378 21.83174 30.07244 
1 1 1    7   36   31 o   51.131   22.755  -3.9036   58.514   0.0000   0.0000  -3.9036   58.514  ?   ?    51.131   22.755 0.000000 22.75513 
1 1 1    7   36   32 o   81.093   16.163   90.945   31.582  111.823   39.205   52.354   53.302   89.074   18.239   63.894   24.247 25.17973 30.34096 
1 1 1    7   36   33 o  139.474   29.623  313.431   99.990   0.0000   0.0000  313.431   99.990  ?   ?   139.474   29.623 0.000000 29.62337 
1 1 1    7   37    0 o   39.347   15.970   17.323   24.501   22.387   26.579 -11.3141   63.206   42.079   16.788   44.745   21.197 -2.666191 27.03967 
1 1 1    7   37    1 o   48.417   17.530   35.403   27.266   36.164   29.628   31.196   69.684   48.933   18.180   53.105   24.124 -4.171474 30.20694 
1 1 1    7   37    2 f   91.874   16.672  128.150   36.842  122.380   44.442  140.832   65.879   85.110   21.032   81.931   27.396 3.179512 34.53777 
1 1 1    7   37    3 o   53.496   17.221   43.800   26.137   35.762   29.069   77.729   59.722   49.476   18.072   64.733   25.372 -15.25667 31.15028 
1 1 1    7   37    4 o  104.756   13.821  154.885   35.272  101.360   42.002  282.939   64.966   78.418   21.020  134.382   19.966 -55.96426 28.99161 
1 1 1    7   37    5 o   62.959   18.513   61.395   31.044   64.958   32.410   21.791  108.053   64.508   18.902   60.482   28.359 4.026340 34.08104 
1 1 1    7   37    6 o  113.938   14.290  181.669   39.765  183.694   50.740  178.446   64.018  110.179   19.136  101.723   25.305 8.455750 31.72628 
1 1 1    7   37    7 o   36.152   14.927   9.0823   21.868   4.7763   24.069   29.444   52.340   35.722   15.253   53.741   22.701 -18.01847 27.34998 
1 1 1    7   37    8 o   87.117   14.761  106.370   30.965   77.861   37.079  172.066   56.287   71.206   20.018  104.818   22.195 -33.61186 29.88905 
1 1 1    7   37    9 o  116.915   27.760  233.362   79.838   0.0000   0.0000  233.362   79.838  ?   ?   116.915   27.760 0.000000 27.75976 
1 1 1    7   37   11 o   68.259   16.899   66.856   28.652   65.374   34.733   70.014   50.689   66.499   19.591   67.986   23.983 -1.487389 30.96709 
1 1 1    7   37   12 o  214.525   12.131  607.251   64.720  509.376   98.525  681.539   85.836  186.043   21.610  223.622   15.466 -37.57884 26.57400 
1 1 1    7   37   13 o  130.359   13.176  226.891   42.304  236.024   58.454  216.846   61.302  128.989   18.692  121.805   20.907 7.183067 28.04440 
1 1 1    7   37   14 o  249.845   11.787  815.696   73.539  579.669  114.723  980.330   95.814  196.937   23.811  270.884   14.214 -73.94708 27.73104 
1 1 1    7   37   15 o  115.104   13.182  176.539   37.207  160.344   51.325  194.475   54.013  105.367   20.242  117.080   19.136 -11.71245 27.85510 
1 1 1    7   37   16 o  143.582   12.398  271.446   44.019  258.430   64.672  282.681   60.085  134.962   19.776  143.311   17.129 -8.348923 26.16242 
1 1 1    7   37   17 o  151.395   11.956  300.199   44.834  243.739   67.261  345.342   60.143  129.873   21.491  160.201   15.217 -30.32750 26.33236 
1 1 1    7   37   18 o  150.359   24.335  335.851   88.250   0.0000   0.0000  335.851   88.250  ?   ?   150.359   24.335 0.000000 24.33516 
1 1 1    7   37   19 o  147.919   11.801  285.860   43.227  180.817   66.422  363.037   56.934  109.251   24.901  165.420   13.912 -56.16852 28.52335 
1 1 1    7   37   20 o  271.424   13.330  967.014   90.353  994.661  152.403  952.030  112.196  261.451   23.597  264.824   17.056 -3.373291 29.11592 
1 1 1    7   37   21 o  157.428   12.228  324.369   47.694  283.951   77.206  349.312   60.651  139.600   22.944  161.412   15.227 -21.81229 27.53738 
1 1 1    7   37   22 o   60.895   19.943   51.296   34.971   98.382   47.202  -5.9962   52.067   81.574   22.460   48.102   21.432 33.47213 31.04451 
1 1 1    7   37   23 o   47.944   17.928   26.075   28.906  -2.3841   45.558   45.251   37.397   46.042   20.304   58.505   20.604 -12.46275 28.92656 
1 1 1    7   37   24 o  126.823   12.893  212.301   40.264  226.745   65.977  203.728   50.827  125.216   21.897  121.750   17.196 3.466286 27.84243 
1 1 1    7   37   25 o  118.107   13.196  184.936   38.254  206.626   60.837  170.752   49.198  119.927   21.084  110.478   18.486 9.448990 28.04026 
1 1 1    7   37   26 o   51.070   22.563   0.3106   56.521   0.0000   0.0000   0.3106   56.521  ?   ?    51.070   22.563 0.000000 22.56319 
1 1 1    7   37   27 o   49.012   18.040   28.628   29.045   26.435   40.995   30.839   41.158   52.123   20.832   53.673   21.056 -1.550148 29.61912 
1 1 1    7   37   28 o   59.793   18.056   50.206   29.228   42.649   41.377   57.731   41.292   57.939   21.493   63.964   21.688 -6.024513 30.53341 
1 1 1    7   37   29 o  172.451   13.256  393.981   56.647  686.557   90.553  205.870   72.609  224.801   16.240  115.178   25.876 109.6221 30.55005 
1 1 1    7   37   30 o  153.105   13.600  312.286   51.455  496.888   78.430  172.788   68.179  190.528   16.652  104.758   26.145 85.77069 30.99753 
1 1 1    7   37   31 o  138.609   14.144  257.961   48.270  361.211   69.442  161.429   67.145  161.371   17.514  100.720   26.382 60.65076 31.66576 
1 1 1    7   37   32 o   52.549   23.806  -8.7647   67.284   0.0000   0.0000  -8.7647   67.284  ?   ?    52.549   23.806 0.000000 23.80561 
1 1 1    7   37   33 o   63.511   27.941   26.227   85.803   0.0000   0.0000   26.227   85.803  ?   ?    63.511   27.941 0.000000 27.94126 
1 1 1    7   38    0 o  107.790   15.734  182.290   41.104  129.676   48.283  320.807   78.342   80.374   22.930  123.184   26.270 -42.81049 34.86958 
1 1 1    7   38    1 o   67.067   18.024   75.810   30.834   41.715   34.497  211.249   68.756   50.027   19.373   97.848   27.172 -47.82076 33.37108 
1 1 1    7   38    2 o   37.458   15.525   13.852   23.786   2.5773   25.681   81.893   63.090   34.324   15.185   61.537   25.376 -27.21252 29.57185 
1 1 1    7   38    3 o   55.131   24.786   46.337   71.344   0.0000   0.0000   46.337   71.344  ?   ?    55.131   24.786 0.000000 24.78580 
1 1 1    7   38    4 f   32.887   14.282   3.3331   21.794  -0.7247   23.459   28.905   58.891   32.480   14.434   51.257   22.818 -18.77768 27.00018 
1 1 1    7   38    5 o  118.580   13.592  200.222   39.521  138.458   48.383  324.065   68.511   89.896   21.782  142.066   19.854 -52.17018 29.47255 
1 1 1    7   38    6 o   49.395   17.318   36.113   26.404   39.787   29.553   21.580   58.778   51.362   18.291   50.992   22.741 0.3695374 29.18475 
1 1 1    7   38    7 o   40.678   16.154   18.141   24.502   25.983   27.110 -16.8367   57.254   44.948   17.236   44.296   20.730 0.6515121 26.95894 
1 1 1    7   38    8 o  120.962   23.901  246.814   69.636   0.0000   0.0000  246.814   69.636  ?   ?   120.962   23.901 0.000000 23.90102 
1 1 1    7   38    9 o   72.709   20.328   84.315   38.346   84.315   38.346   0.0000   0.0000   72.709   20.328  ?   ?  0.000000 20.32789 
1 1 1    7   38   10 o   68.648   17.005   70.075   29.001   41.817   34.627  136.457   53.074   53.997   19.724   90.718   23.305 -36.72067 30.53067 
1 1 1    7   38   11 o  121.976   27.804  261.876   82.806   0.0000   0.0000  261.876   82.806  ?   ?   121.976   27.804 0.000000 27.80397 
1 1 1    7   38   12 o  105.900   13.793  154.449   35.609  105.773   46.052  226.826   56.155   81.482   22.082  124.180   18.688 -42.69840 28.92828 
1 1 1    7   38   13 o  253.880   12.336  860.183   78.206  641.928  122.905  1008.68  101.378  199.544   25.229  270.373   15.075 -70.82901 29.38943 
1 1 1    7   38   14 o  187.818   12.242  470.582   57.105  406.510   86.445  520.189   76.064  164.020   21.633  193.373   15.892 -29.35335 26.84336 
1 1 1    7   38   15 f   59.565   19.494   51.702   33.415   68.801   37.567 -13.0826   73.123   67.485   20.491   52.489   24.168 14.99594 31.68569 
1 1 1    7   38   16 o  117.958   13.195  187.639   38.202  142.136   53.750  234.086   54.305   95.671   22.818  128.640   17.347 -32.96910 28.66352 
1 1 1    7   38   17 o   92.584   15.377  119.076   34.304  114.036   47.719  124.466   49.347   86.180   22.075   90.123   22.097 -3.942871 31.23445 
1 1 1    7   38   18 o   93.998   15.510  122.637   35.136  185.890   51.144   66.101   48.353  113.823   18.639   66.604   23.431 47.21899 29.94048 
1 1 1    7   38   19 o  106.423   17.511  160.179   44.918  131.364   57.882  203.803   71.219   90.885   24.809  113.063   25.795 -22.17805 35.78899 
1 1 1    7   38   20 o  229.337   12.909  698.526   73.626  730.116  123.646  681.171   91.645  221.326   22.692  222.142   16.642 -0.8163757 28.14053 
1 1 1    7   38   21 o   80.423   17.517   92.388   34.184  178.927   53.998   34.512   44.160  110.678   20.285   55.059   21.743 55.61971 29.73583 
1 1 1    7   38   22 o  106.176   14.542  153.541   37.543  130.040   60.333  168.391   47.960   90.101   25.607  108.787   18.304 -18.68567 31.47647 
1 1 1    7   38   23 f   46.671   18.750   20.166   33.401   25.653   44.906   13.371   49.970   52.521   21.504   50.861   21.854 1.660107 30.66001 
1 1 1    7   38   24 o  105.215   14.588  150.868   37.296  132.381   60.502  162.198   47.366   90.965   25.570  106.636   18.456 -15.67057 31.53482 
1 1 1    7   38   25 o   56.668   19.161   44.599   32.230   72.542   50.075   24.836   42.113   69.417   23.877   51.345   20.901 18.07224 31.73258 
1 1 1    7   38   26 o   95.772   14.939  125.952   34.562  101.588   52.920  144.074   45.641   80.441   24.297   99.962   18.978 -19.52106 30.83047 
1 1 1    7   38   27 o   54.952   23.897   15.858   61.184   0.0000   0.0000   15.858   61.184  ?   ?    54.952   23.897 0.000000 23.89676 
1 1 1    7   38   28 o   43.081   17.465   15.448   29.266   18.917   39.666   11.304   43.358   48.526   20.075   47.732   20.429 0.7938919 28.64235 
1 1 1    7   38   29 o   79.224   17.493   89.977   33.683  105.792   46.021   71.731   49.432   83.345   21.846   68.840   23.721 14.50548 32.24807 
1 1 1    7   38   30 o   68.162   18.900   68.126   33.291   99.650   44.905   29.654   49.608   80.837   21.763   54.806   22.539 26.03114 31.33081 
1 1 1    7   38   31 o   62.956   24.209   54.293   53.576   0.0000   0.0000   54.293   53.576  ?   ?    62.956   24.209 0.000000 24.20875 
1 1 1    7   38   32 o   85.273   32.361  133.314   94.950   0.0000   0.0000  133.314   94.950  ?   ?    85.273   32.361 0.000000 32.36106 
1 1 1    7   39    0 o   31.437   14.358  -1.2203   25.108   2.4508   25.516 -113.3081  140.990   32.641   14.735   43.268   22.098 -10.62640 26.56033 
1 1 1    7   39    1 o   52.643   19.170   52.782   32.672   43.092   33.632  215.303  137.735   48.517   19.033   61.141   29.569 -12.62457 35.16532 
1 1 1    7   39    2 o   79.962   18.440  110.967   36.068   85.335   41.470  190.578   73.085   64.572   21.735   82.784   28.825 -18.21248 36.10115 
1 1 1    7   39    3 o   35.199   15.238   8.3127   24.656   5.8559   26.724   22.372   63.929   35.282   15.555   47.745   22.197 -12.46341 27.10480 
1 1 1    7   39    4 o   34.837   15.375   4.2396   26.174   16.899   28.122 -77.7660   71.574   39.821   16.721   39.024   19.354 0.7977180 25.57673 
1 1 1    7   39    5 o   59.295   18.256   58.989   29.685   41.897   33.571  120.260   63.562   50.728   19.244   72.211   26.668 -21.48270 32.88650 
1 1 1    7   39    6 o   72.152   17.899   84.314   32.093   46.832   37.247  192.334   63.232   53.209   20.250   99.130   25.422 -45.92113 32.50156 
1 1 1    7   39    7 o   64.370   25.370   83.555   60.013   0.0000   0.0000   83.555   60.013  ?   ?    64.370   25.370 0.000000 25.36971 
1 1 1    7   39    8 o   46.210   18.282   28.313   31.278   28.313   31.278   0.0000   0.0000   46.210   18.282  ?   ?  0.000000 18.28244 
1 1 1    7   39    9 o   59.249   18.050   55.596   29.113   46.430   34.260   79.413   55.225   54.317   19.652   65.216   24.697 -10.89858 31.56165 
1 1 1    7   39   10 o   82.151   16.743  101.778   33.182   72.280   40.916  158.451   56.714   65.233   21.582   94.693   23.964 -29.46048 32.24959 
1 1 1    7   39   11 o   86.224   16.012  109.569   33.207   65.753   41.293  189.778   55.869   62.875   21.679  108.025   21.467 -45.14931 30.50968 
1 1 1    7   39   12 o   32.580   14.659  -5.4554   25.017 -16.6570   27.550   47.187   59.724   31.268   14.548   58.020   24.365 -26.75134 28.37835 
1 1 1    7   39   13 o  130.419   20.456  264.680   64.430   0.0000   0.0000  264.680   64.430  ?   ?   130.419   20.456 0.000000 20.45625 
1 1 1    7   39   14 o   55.810   18.358   46.609   29.621   48.066   37.598   44.226   48.095   56.688   20.576   56.468   22.565 0.2204819 30.53775 
1 1 1    7   39   15 o  193.405   11.856  502.807   56.982  313.103   86.286  649.528   75.883  134.879   26.563  216.776   14.095 -81.89638 30.07074 
1 1 1    7   39   16 o   39.868   17.002   8.0137   29.835   4.4598   33.931   20.126   62.640   40.710   17.748   54.017   23.815 -13.30667 29.70103 
1 1 1    7   39   17 o   63.354   18.369   60.342   30.754   42.503   41.403   82.298   45.933   55.631   21.308   71.216   22.819 -15.58537 31.22068 
1 1 1    7   39   18 o   90.525   16.009  116.952   34.865   80.278   49.620  152.716   49.000   70.205   23.774  100.176   20.283 -29.97059 31.25133 
1 1 1    7   39   19 o  105.928   15.070  156.870   38.739  124.376   58.814  181.772   51.486   85.539   25.565  110.569   19.352 -25.03008 32.06323 
1 1 1    7   39   20 o  114.763   14.388  181.844   40.326  212.625   63.353  160.877   52.287  116.772   22.542  102.474   21.135 14.29761 30.90043 
1 1 1    7   39   21 o  161.475   26.067  426.212  101.532   0.0000   0.0000  426.212  101.532  ?   ?   161.475   26.067 0.000000 26.06728 
1 1 1    7   39   22 o   48.952   18.636   29.333   31.552   36.153   49.666   24.719   40.855   55.803   22.704   50.030   20.501 5.772678 30.59030 
1 1 1    7   39   23 o   72.311   18.511   77.652   33.567   62.919   53.175   87.413   43.281   64.704   24.293   74.767   21.824 -10.06300 32.65636 
1 1 1    7   39   24 o   76.890   20.483   90.337   40.036   73.630   55.199  108.882   58.155   68.405   24.915   80.657   25.659 -12.25212 35.76498 
1 1 1    7   39   25 o   44.637   18.003   18.825   30.923 -15.7385   47.580   44.101   40.688   42.750   19.614   56.814   21.266 -14.06386 28.92978 
1 1 1    7   39   26 o  123.550   14.841  210.746   44.872  233.317   69.696  194.766   58.643  121.690   23.788  113.089   21.553 8.601685 32.09947 
1 1 1    7   39   27 o   49.749   18.568   31.358   30.974   43.285   43.981   19.620   43.629   57.073   21.937   49.497   20.808 7.575497 30.23562 
1 1 1    7   39   28 o   47.166   21.882 -22.0313   61.621   0.0000   0.0000 -22.0313   61.621  ?   ?    47.166   21.882 0.000000 21.88176 
1 1 1    7   39   29 o   40.149   17.158   6.5457   30.504  -8.8442   38.142   33.859   50.812   39.813   17.990   55.543   22.823 -15.73061 29.06070 
1 1 1    7   39   30 o   70.654   24.404   79.900   52.337   0.0000   0.0000   79.900   52.337  ?   ?    70.654   24.404 0.000000 24.40439 
1 1 1    7   39   31 o   83.159   32.038  133.316   93.966   0.0000   0.0000  133.316   93.966  ?   ?    83.159   32.038 0.000000 32.03813 
1 1 1    7   40    1 o   25.385   12.314 -24.3427   24.359 -26.3774   24.722   43.530  142.783   25.236   12.280   45.720   23.247 -20.48359 26.29114 
1 1 1    7   40    2 o   37.569   16.608   15.076   30.666   12.163   31.450   71.343  138.221   36.958   16.548   48.655   24.523 -11.69634 29.58384 
1 1 1    7   40    3 o   55.981   19.470   62.488   33.340   53.384   37.917   93.517   70.001   51.046   20.151   55.846   24.868 -4.800743 32.00753 
1 1 1    7   40    4 o   34.406   15.302   5.6352   26.419   10.626   28.909 -19.6432   65.063   36.810   16.206   40.908   19.909 -4.097855 25.67124 
1 1 1    7   40    5 o   47.387   18.046   37.946   29.592   0.0506   33.232  183.033   65.026   35.981   16.465   86.588   27.079 -50.60747 31.69167 
1 1 1    7   40    6 o   67.846   28.581  140.899   82.591   0.0000   0.0000  140.899   82.591  ?   ?    67.846   28.581 0.000000 28.58054 
1 1 1    7   40    7 o   36.984   16.363   6.3219   29.826   6.3219   29.826   0.0000   0.0000   36.984   16.363  ?   ?  0.000000 16.36258 
1 1 1    7   40    8 o   38.651   16.310   14.008   26.973   19.914   30.591  -6.6220   57.176   41.869   17.501   43.373   20.429 -1.503529 26.90010 
1 1 1    7   40    9 f   61.813   18.999   64.779   32.168   31.660   37.171  163.577   64.200   47.606   19.536   87.375   26.838 -39.76836 33.19566 
1 1 1    7   40   10 o   46.468   17.607   31.343   28.080   11.548   32.560   88.785   55.467   40.396   17.500   66.252   24.823 -25.85610 30.37142 
1 1 1    7   40   11 o  126.038   14.193  229.764   43.895  183.996   58.440  289.009   66.490  101.096   23.581  131.937   20.876 -30.84056 31.49375 
1 1 1    7   40   12 o   39.724   16.488   14.661   26.884   14.009   31.726   16.320   50.633   41.314   17.573   47.548   21.163 -6.233212 27.50834 
1 1 1    7   40   13 o   77.230   18.268   93.993   34.679   76.724   44.630  120.310   55.092   65.878   22.546   79.790   24.920 -13.91216 33.60575 
1 1 1    7   40   14 o   51.394   23.117   19.144   62.148   0.0000   0.0000   19.144   62.148  ?   ?    51.394   23.117 0.000000 23.11680 
1 1 1    7   40   15 f  108.949   14.800  170.487   39.225   93.614   53.684  258.529   57.452   71.383   24.713  130.458   18.125 -59.07531 30.64704 
1 1 1    7   40   16 o   50.497   18.532   36.648   30.622   57.296   40.728   9.7929   46.447   59.612   21.447   46.009   20.384 13.60316 29.58842 
1 1 1    7   40   17 o   95.914   16.228  134.743   37.482  114.764   53.083  154.608   52.932   80.490   24.340   96.643   22.374 -16.15356 33.06115 
1 1 1    7   40   18 o   55.896   20.291   47.177   36.565   52.256   44.067   35.952   65.514   58.269   22.062   56.629   24.676 1.640377 33.10037 
1 1 1    7   40   19 o   46.343   18.484   24.747   32.213   30.487   46.315   19.369   44.833   51.846   21.591   48.410   20.748 3.435661 29.94398 
1 1 1    7   40   20 o   48.391   18.789   29.532   32.514   34.725   48.265   25.217   43.995   53.629   22.162   49.925   20.936 3.703979 30.48757 
1 1 1    7   40   21 o   40.389   17.406   7.2501   31.878   2.7862   48.505   10.644   42.295   45.902   20.551   45.547   19.837 0.3556519 28.56353 
1 1 1    7   40   22 o   87.814   29.227  150.034   74.997   0.0000   0.0000  150.034   74.997  ?   ?    87.814   29.227 0.000000 29.22688 
1 1 1    7   40   23 o  115.836   14.892  188.691   42.080   75.604   67.088  262.038   54.029   67.309   26.729  135.251   16.327 -67.94217 31.32157 
1 1 1    7   40   24 o  108.247   15.741  166.856   41.303   97.112   67.088  209.427   52.414   73.521   27.349  119.126   18.197 -45.60493 32.84900 
1 1 1    7   40   25 f   62.042   20.156   59.257   35.749   19.602   56.138   86.307   46.366   52.261   22.805   72.498   22.894 -20.23647 32.31480 
1 1 1    7   40   26 o   71.674   22.173   83.032   43.733   78.164   56.553   90.274   68.975   68.473   25.176   71.676   27.491 -3.203232 37.27715 
1 1 1    7   40   27 o   54.322   19.486   42.194   33.597   22.493   47.013   62.757   48.030   50.543   21.442   63.314   23.214 -12.77113 31.60107 
1 1 1    7   40   28 o   66.158   19.923   67.716   35.620   61.962   49.515   73.888   51.279   63.083   23.489   67.261   24.079 -4.178326 33.63869 
1 1 1    7   40   29 o   53.503   24.254   7.4225   69.983   0.0000   0.0000   7.4225   69.983  ?   ?    53.503   24.254 0.000000 24.25434 
1 1 1    7   40   30 o   51.668   22.261   21.640   52.117   0.0000   0.0000   21.640   52.117  ?   ?    51.668   22.261 0.000000 22.26133 
1 1 1    7   41    4 o   35.377   16.199   7.1725   32.238   4.9115   33.354   39.293  125.713   35.171   16.240   45.670   23.064 -10.49849 28.20767 
1 1 1    7   41    5 f   35.196   15.939   6.8084   30.138   19.799   33.716 -44.8324   67.224   39.538   17.449   37.439   18.600 2.098724 25.50396 
1 1 1    7   41    6 o   63.018   22.094   89.741   42.975   89.741   42.975   0.0000   0.0000   63.018   22.094  ?   ?  0.000000 22.09428 
1 1 1    7   41    7 f   24.764   12.151 -36.9650   25.739 -47.2542   27.495   35.926   73.182   24.363   12.068   48.173   22.817 -23.80984 25.81169 
1 1 1    7   41    8 o   32.712   15.075  -5.0306   28.538 -17.2471   32.479   36.343   59.771   31.949   15.152   48.389   22.120 -16.44087 26.81227 
1 1 1    7   41    9 o  114.142   15.668  204.491   43.482  123.719   55.156  337.113   70.675   73.351   25.065  135.419   21.627 -62.06750 33.10543 
1 1 1    7   41   10 o   38.222   16.526   12.063   28.925   14.354   33.563   5.4492   57.021   40.398   17.631   44.305   20.719 -3.907593 27.20529 
1 1 1    7   41   11 o   57.779   20.546   61.015   37.274   48.804   40.565  127.233   94.468   52.763   20.838   65.270   28.986 -12.50698 35.69922 
1 1 1    7   41   12 o  127.044   14.891  241.627   46.346  165.852   62.443  334.578   69.158   88.199   26.337  140.458   20.307 -52.25869 33.25697 
1 1 1    7   41   13 f   36.494   16.216   3.0633   29.607  -7.2425   35.615   26.120   53.271   36.588   16.854   48.892   21.737 -12.30344 27.50579 
1 1 1    7   41   14 o   43.171   17.820   21.550   31.151   15.923   39.167   31.237   51.390   43.711   19.062   50.158   21.856 -6.447231 29.00065 
1 1 1    7   41   15 o   35.855   16.497  -8.8967   33.987  -7.6593   39.939 -12.1452   64.712   38.696   17.834   45.686   21.584 -6.989601 27.99814 
1 1 1    7   41   16 o   91.550   17.785  130.762   39.194   62.053   56.124  196.166   54.758   59.240   24.123  108.584   20.953 -49.34401 31.95236 
1 1 1    7   41   17 o   50.521   19.184   37.903   33.382   17.542   45.503   61.634   49.124   46.626   20.434   59.608   23.109 -12.98130 30.84739 
1 1 1    7   41   18 o   65.717   20.342   72.173   36.802   25.115   52.120  118.963   51.972   50.205   21.939   80.584   24.020 -30.37908 32.53140 
1 1 1    7   41   19 o   63.322   22.071   68.832   42.855   96.115   53.908   21.986   70.640   71.592   24.766   53.379   24.264 18.21360 34.67081 
1 1 1    7   41   20 o   72.976   20.093   87.047   37.777   97.315   57.995   79.479   49.788   71.487   25.606   66.688   23.742 4.799347 34.91945 
1 1 1    7   41   21 o  147.790   13.973  308.097   50.955  218.594   83.027  362.177   64.539  101.928   30.355  156.501   16.776 -54.57278 34.68174 
1 1 1    7   41   22 o   75.062   20.813   92.687   40.374   94.713   67.860   91.577   50.231   69.909   27.144   71.648   23.922 -1.739525 36.18095 
1 1 1    7   41   23 o   49.890   23.013   0.2926   66.737   0.0000   0.0000   0.2926   66.737  ?   ?    49.890   23.013 0.000000 23.01339 
1 1 1    7   41   24 o   63.489   20.539   65.302   37.144   14.646   59.081   98.412   47.766   50.641   22.676   75.405   23.147 -24.76447 32.40408 
1 1 1    7   41   25 o  112.422   16.442  185.126   44.796   67.263   70.514  264.879   58.004   63.540   26.566  132.944   17.929 -69.40396 32.04970 
1 1 1    7   41   26 o   42.531   18.362   10.417   35.603   40.962   52.634 -15.3486   48.341   55.489   23.055   41.766   19.378 13.72374 30.11683 
1 1 1    7   41   27 o   76.742   23.371  101.870   48.814   54.494   61.350  183.609   80.585   60.043   24.914   93.903   30.239 -33.86049 39.18044 
1 1 1    7   41   28 f   54.903   22.949   38.700   52.601   0.0000   0.0000   38.700   52.601  ?   ?    54.903   22.949 0.000000 22.94860 
1 1 1    7   41   29 o   46.631   21.249  -0.5641   54.610   0.0000   0.0000  -0.5641   54.610  ?   ?    46.631   21.249 0.000000 21.24926 
1 1 1    7   42    8 o   56.121   19.912   67.440   34.992   30.610   41.082  164.770   66.784   43.000   19.105   70.800   27.075 -27.79926 33.13699 
1 1 1    7   42    9 o   47.024   22.673   37.703   79.483   0.0000   0.0000   37.703   79.483  ?   ?    47.024   22.673 0.000000 22.67271 
1 1 1    7   42   10 o   41.098   17.715   22.534   33.037   7.2571   39.143   60.364   61.597   38.624   17.746   51.188   23.020 -12.56470 29.06640 
1 1 1    7   42   11 o   72.597   20.664  102.516   39.258   63.702   49.171  170.762   65.201   53.921   22.333   80.200   27.252 -26.27925 35.23430 
1 1 1    7   42   12 o   38.562   17.469   6.9347   36.230   4.4525   39.361   20.697   92.684   38.942   17.857   49.036   23.841 -10.09403 29.78713 
1 1 1    7   42   13 o   47.324   18.962   36.694   34.060   15.142   42.623   74.773   56.656   42.506   19.129   57.658   23.934 -15.15256 30.63948 
1 1 1    7   42   14 o   32.276   15.169 -14.8467   31.215 -39.6160   39.049   28.998   51.952   31.823   15.473   47.592   21.291 -15.76926 26.31962 
1 1 1    7   42   15 o   60.243   20.523   67.057   36.977   24.235   49.180  122.746   56.084   46.628   20.798   74.569   25.276 -27.94122 32.73243 
1 1 1    7   42   16 o   66.012   20.705   79.543   37.985   65.228   52.101   95.786   55.498   57.607   23.321   66.364   24.837 -8.757732 34.06980 
1 1 1    7   42   17 o   69.382   28.605  127.233   80.150   0.0000   0.0000  127.233   80.150  ?   ?    69.382   28.605 0.000000 28.60508 
1 1 1    7   42   18 o   42.370   18.477   14.679   36.796   47.030   51.744 -18.4149   52.335   53.559   22.595   40.680   19.276 12.87846 29.70042 
1 1 1    7   42   19 f   67.736   21.214   82.289   39.894   8.0159   58.862  145.390   54.255   46.834   21.607   87.238   24.104 -40.40378 32.37108 
1 1 1    7   42   20 o   55.529   20.904   52.219   39.427   26.511   58.992   72.972   53.004   50.468   22.625   61.668   23.977 -11.19937 32.96637 
1 1 1    7   42   21 o   73.549   21.216   94.843   41.119   68.169   65.215  112.445   52.977   60.116   25.364   75.847   24.528 -15.73099 35.28411 
1 1 1    7   42   22 o   61.629   21.186   66.254   39.420   34.570   60.217   90.012   52.145   52.753   23.299   68.139   24.294 -15.38655 33.66028 
1 1 1    7   42   23 f   52.880   20.333   43.808   37.793   67.868   59.986   27.972   48.667   60.684   24.851   49.579   21.436 11.10529 32.81855 
1 1 1    7   42   24 o   69.234   21.582   84.093   41.343   54.411   65.425  103.824   53.342   57.817   24.926   73.313   24.651 -15.49686 35.05691 
1 1 1    7   42   25 o   67.638   21.861   80.685   42.086  -2.6543   64.680  141.879   55.424   47.544   22.178   87.303   24.450 -39.75855 33.01004 
1 1 1    7   42   26 o   57.243   21.309   54.488   40.742   58.909   60.844   50.895   54.856   58.866   24.650   56.541   23.517 2.325092 34.06881 
1 1 1    7   42   27 o   71.838   26.520  106.049   62.848   0.0000   0.0000  106.049   62.848  ?   ?    71.838   26.520 0.000000 26.51998 
1 1 1    7   42   28 o   64.640   28.524   86.201   90.064   0.0000   0.0000   86.201   90.064  ?   ?    64.640   28.524 0.000000 28.52387 
1 1 1    7   43   12 o   44.650   19.006   36.794   37.161   25.094   46.523   57.417   61.766   42.445   19.445   48.662   22.334 -6.216652 29.61252 
1 1 1    7   43   13 o   43.838   18.784   32.100   36.733   15.429   46.515   59.720   59.874   41.209   19.081   50.119   22.603 -8.909920 29.57973 
1 1 1    7   43   14 o   49.407   20.675   49.140   42.760   16.782   49.184  149.312   86.537   42.414   19.632   62.402   27.727 -19.98854 33.97310 
1 1 1    7   43   15 f   33.396   15.803 -13.4879   34.942 -16.3095   44.752  -9.0813   55.927   36.357   17.394   40.221   19.296 -3.863655 25.97864 
1 1 1    7   43   16 o   38.959   17.591   9.3050   36.393   5.6666   48.458   14.012   55.119   41.222   19.218   43.866   20.466 -2.643764 28.07480 
1 1 1    7   43   17 o   93.346   20.718  160.370   47.034  145.761   68.102  173.694   65.037   72.589   27.440   83.371   27.192 -10.78194 38.63108 
1 1 1    7   43   18 o   53.858   25.191   61.306   84.352   0.0000   0.0000   61.306   84.352  ?   ?    53.858   25.191 0.000000 25.19059 
1 1 1    7   43   19 o   54.662   21.310   57.293   41.954   47.243   63.715   64.985   55.744   51.867   23.361   55.722   23.477 -3.854969 33.11944 
1 1 1    7   43   20 o   31.046   15.086 -38.6791   36.961 -45.4808   55.436 -33.2356   49.593   37.204   18.166   36.787   17.779 0.4171562 25.41842 
1 1 1    7   43   21 o   61.466   21.764   73.451   41.781   64.088   64.997   80.043   54.542   56.024   24.491   60.881   24.125 -4.857094 34.37742 
1 1 1    7   43   22 o   74.047   24.306  114.883   51.933   75.159   70.187  162.944   77.202   58.460   25.506   77.441   29.230 -18.98083 38.79350 
1 1 1    7   43   23 o   53.364   20.969   50.093   40.886   7.3841   64.363   78.987   52.940   46.724   21.902   61.537   23.952 -14.81312 32.45592 
1 1 1    7   43   24 o   48.285   20.161   33.983   40.537   11.147   63.959   49.315   52.408   47.385   22.087   53.437   22.653 -6.052204 31.63828 
1 1 1    7   43   25 o   84.727   21.820  130.755   46.446  147.745   70.647  117.822   61.638   77.428   28.189   71.887   26.306 5.541298 38.55722 
1 1 1    7   43   26 o   61.036   27.738   89.645   92.259   0.0000   0.0000   89.645   92.259  ?   ?    61.036   27.738 0.000000 27.73839 
1 1 1    7   43   27 o   45.171   21.147   0.2780   59.672   0.0000   0.0000   0.2780   59.672  ?   ?    45.171   21.147 0.000000 21.14651 
1 1 1    8  -34    0 o   40.001   19.106 -26.5692   53.518   1.3436   90.498 -41.5803   66.366   51.131   24.534   41.933   20.338 9.197952 31.86792 
1 1 1    8  -33    0 o   48.183   21.396   15.903   51.458   55.651   85.468  -6.6983   64.448   60.501   27.170   47.477   22.144 13.02402 35.05110 
1 1 1    8  -33    1 o   43.105   20.014  -8.0259   51.707 -35.5266   84.162   8.6480   65.533   47.851   23.135   49.423   22.800 -1.571930 32.48215 
1 1 1    8  -33    2 o   40.016   19.048 -25.5690   52.261 -72.7337   85.043   3.0493   66.245   43.983   21.681   47.916   22.383 -3.932140 31.16137 
1 1 1    8  -32    0 o   38.683   14.920   16.602   20.396   16.259   21.866   18.904   56.599   39.133   15.348   51.518   22.679 -12.38488 27.38412 
1 1 1    8  -32    1 o   61.054   23.743   60.678   51.982   54.010   81.580   65.235   67.447   61.573   27.160   62.882   26.110 -1.309082 37.67467 
1 1 1    8  -32    2 o   45.547   20.589   3.8734   50.022 -111.7747   79.575   79.431   64.320   41.029   20.358   65.488   26.120 -24.45943 33.11663 
1 1 1    8  -32    3 o   45.436   21.397 -15.5012   62.671   0.0000   0.0000 -15.5012   62.671  ?   ?    45.436   21.397 0.000000 21.39691 
1 1 1    8  -32    4 o   62.360   27.526   79.188   83.931   79.188   83.931   0.0000   0.0000   62.360   27.526  ?   ?  0.000000 27.52577 
1 1 1    8  -31    0 o   27.543   12.414  -6.7233   18.033  -8.1224   19.120   4.5353   54.238   27.972   12.679   49.208   21.903 -21.23539 25.30811 
1 1 1    8  -31    1 o   47.890   16.262   31.645   23.216   33.828   25.436   20.750   56.817   49.385   17.016   52.925   23.022 -3.540333 28.62764 
1 1 1    8  -31    2 o   41.312   19.742 -44.1539   57.296   0.0000   0.0000 -44.1539   57.296  ?   ?    41.312   19.742 0.000000 19.74193 
1 1 1    8  -31    3 o   34.285   16.698 -59.3023   46.015 -57.4870   71.782 -60.5687   59.954   44.224   21.378   39.913   19.352 4.311089 28.83599 
1 1 1    8  -31    4 o   42.214   19.475 -10.3607   47.816   7.8108   72.100 -24.6284   63.888   52.074   23.985   45.295   21.413 6.778954 32.15282 
1 1 1    8  -31    5 o   53.904   22.743   39.555   52.433   85.816   79.240   3.5230   69.932   65.712   27.855   50.205   23.298 15.50755 36.31408 
1 1 1    8  -31    6 o   35.075   17.071 -52.5597   47.857 -21.9635   73.234 -75.3630   63.223   46.752   22.335   38.294   18.841 8.457443 29.22044 
1 1 1    8  -30    0 o   38.121   15.371   11.244   22.538   8.0995   23.112   72.185  101.738   37.108   15.336   74.262   31.526 -37.15407 35.05770 
1 1 1    8  -30    1 o   56.695   16.450   45.579   24.655   56.935   27.615   0.9579   54.741   62.942   17.117   49.429   22.002 13.51369 27.87651 
1 1 1    8  -30    2 o   56.801   22.354   40.801   46.532  120.305   80.448   0.8305   57.042   81.602   30.024   49.689   22.264 31.91301 37.37825 
1 1 1    8  -30    3 o   46.412   16.085   28.917   22.747   34.595   24.350  -9.9822   63.735   49.800   16.656   49.344   22.662 0.4553337 28.12420 
1 1 1    8  -30    4 o   61.657   23.187   58.684   48.484   9.9914   72.939   97.233   64.898   54.406   24.701   73.665   26.988 -19.25880 36.58537 
1 1 1    8  -30    5 o   62.531   23.492   63.422   49.743   61.170   73.921   65.286   67.248   63.183   26.849   63.682   26.222 -0.4994240 37.52949 
1 1 1    8  -30    6 o   43.406   19.821  -4.7747   47.827  -5.4776   71.458  -4.2043   64.371   50.183   23.376   48.600   22.482 1.583023 32.43305 
1 1 1    8  -30    7 o   47.562   20.947   16.364   48.337 -57.7531   70.039   83.771   66.794   42.795   20.788   66.094   26.528 -23.29940 33.70308 
1 1 1    8  -29    0 o   90.935   13.550  110.264   29.829   98.576   35.140  140.408   56.433   84.297   17.274   97.481   23.465 -13.18388 29.13739 
1 1 1    8  -29    1 o   47.083   23.280 -171.0251  100.679   0.0000   0.0000 -171.0251  100.679  ?   ?    47.083   23.280 0.000000 23.27983 
1 1 1    8  -29    2 o  116.457   14.928  183.928   42.412  183.928   42.412   0.0000   0.0000  116.457   14.928  ?   ?  0.000000 14.92753 
1 1 1    8  -29    3 o  109.365   12.742  159.915   34.145  147.573   39.961  193.305   65.728  103.094   16.044  111.619   24.272 -8.525406 29.09560 
1 1 1    8  -29    4 o   31.726   13.315   4.1105   17.819  -1.9372   18.860   54.362   54.367   30.026   13.157   62.624   24.301 -32.59767 27.63460 
1 1 1    8  -29    5 o   59.805   15.810   51.486   23.970   33.986   26.213  140.820   59.224   49.826   17.268   91.928   25.095 -42.10117 30.46218 
1 1 1    8  -29    6 o   71.816   23.704   85.710   49.368  113.630   72.417   61.469   67.477   78.050   28.521   64.088   26.314 13.96204 38.80560 
1 1 1    8  -29    7 o   43.770   19.679  -0.4202   44.977   16.909   66.452 -15.0697   61.099   53.523   24.002   46.659   21.695 6.863987 32.35392 
1 1 1    8  -29    8 o   75.150   24.530  101.356   52.923  158.805   77.512   51.186   72.435   87.046   29.713   60.153   26.080 26.89276 39.53531 
1 1 1    8  -29    9 o   62.775   23.776   68.920   51.190  114.114   77.684   34.237   68.054   72.834   28.814   55.312   24.582 17.52181 37.87458 
1 1 1    8  -28    0 o   55.593   22.465   25.467   48.250   0.0000   0.0000   25.467   48.250  ?   ?    55.593   22.465 0.000000 22.46473 
1 1 1    8  -28    1 o   17.182   8.4993 -30.2741   13.470 -30.2741   13.470   0.0000   0.0000   17.182   8.4993  ?   ?  0.000000 8.499277 
1 1 1    8  -28    2 o   47.085   16.098   27.869   22.751   32.638   25.365   8.2438   51.458   50.377   16.998   51.511   22.157 -1.133083 27.92610 
1 1 1    8  -28    3 o   94.347   16.889  122.791   38.329  105.439   40.551  268.191  117.384   86.070   19.339  122.621   35.984 -36.55054 40.85124 
1 1 1    8  -28    4 o   71.649   15.738   71.349   27.388   70.848   30.858   73.209   59.446   70.679   17.561   71.049   25.859 -0.3690414 31.25866 
1 1 1    8  -28    5 o   66.513   15.647   62.102   25.555   58.144   28.533   78.148   57.450   63.765   17.424   71.696   25.506 -7.930698 30.88931 
1 1 1    8  -28    6 o  115.585   12.599  179.016   35.777  180.033   41.977  176.315   68.400  114.301   15.074  103.520   26.382 10.78122 30.38527 
1 1 1    8  -28    7 o   33.878   14.027   6.7980   19.386   9.4517   20.701 -12.1071   55.254   35.867   14.633   46.358   21.220 -10.49102 25.77641 
1 1 1    8  -28    8 o   75.262   23.599   94.040   49.350   94.356   72.614   93.768   67.274   72.813   28.133   72.923   27.335 -0.1093750 39.22545 
1 1 1    8  -28    9 o   38.995   18.146 -19.9071   42.883 -44.9316   60.492   5.3731   60.800   42.270   20.223   50.091   22.666 -7.821510 30.37646 
1 1 1    8  -28   10 o   58.399   22.954   52.591   49.002  150.964   72.237 -31.2628   66.693   86.582   28.678   45.556   21.637 41.02588 35.92445 
1 1 1    8  -28   11 o   49.572   21.439   23.964   48.707   31.891   69.982   16.516   67.832   55.197   24.701   52.158   23.735 3.038609 34.25615 
1 1 1    8  -27    0 o   54.049   21.627   23.474   44.243   69.028   66.443 -12.8163   59.303   74.457   27.302   51.407   22.891 23.05019 35.62865 
1 1 1    8  -27    1 o   77.438   14.958   80.168   27.878  107.039   32.592   6.9119   53.813   89.738   15.079   53.180   22.760 36.55766 27.30213 
1 1 1    8  -27    2 o  133.386   10.850  228.608   35.826  208.718   43.815  268.732   62.232  126.168   14.150  141.393   18.036 -15.22501 22.92449 
1 1 1    8  -27    3 o  137.233   11.410  243.273   38.746  221.409   47.725  285.549   66.362  129.290   15.064  144.880   18.785 -15.59068 24.07913 
1 1 1    8  -27    4 o   47.267   15.929   28.321   22.274   25.539   24.495   41.606   53.532   46.444   16.641   61.532   24.048 -15.08766 29.24407 
1 1 1    8  -27    5 o  105.360   15.939  150.728   40.625  127.054   43.043  343.860  122.941   95.125   18.787  141.925   34.926 -46.79953 39.65802 
1 1 1    8  -27    6 o  100.945   13.244  135.948   32.581  148.354   38.116  102.292   62.777  104.602   15.023   81.085   26.728 23.51690 30.66094 
1 1 1    8  -27    7 o  125.177   12.344  207.653   38.084  221.565   45.438  174.803   69.823  127.998   14.470  104.236   26.705 23.76232 30.37275 
1 1 1    8  -27    8 o   59.616   15.383   50.250   23.054   41.599   25.319   92.212   55.762   54.312   16.883   75.794   25.201 -21.48161 30.33312 
1 1 1    8  -27    9 o   61.827   22.474   56.631   44.878   86.198   63.630   27.363   63.306   72.151   26.675   56.698   24.481 15.45243 36.20597 
1 1 1    8  -27   10 o   39.106   18.098 -18.4855   41.779 -32.6060   59.660  -4.8963   58.527   44.153   20.818   48.220   21.983 -4.066650 30.27619 
1 1 1    8  -27   11 o   36.014   17.068 -31.8935   41.062 -30.5149   58.313 -33.2494   57.832   43.454   20.517   42.886   20.304 0.5676498 28.86554 
1 1 1    8  -27   12 o   50.224   21.346   25.838   46.744   9.6863   67.057   41.106   65.194   51.686   23.551   57.277   24.787 -5.590981 34.19118 
1 1 1    8  -26    0 o   45.812   15.919   24.665   22.286   33.291   25.120  -7.2309   48.303   51.495   16.904   47.806   21.000 3.689705 26.95807 
1 1 1    8  -26    1 o   74.131   14.796   73.061   26.431   78.233   31.087   59.569   50.210   76.259   16.780   68.685   23.893 7.574051 29.19652 
1 1 1    8  -26    2 o  135.691   17.225  243.637   57.053  356.730   83.179  143.161   78.402  162.544   20.982   99.170   29.489 63.37386 36.19181 
1 1 1    8  -26    3 o   58.686   15.355   46.326   22.763   43.356   25.779   56.834   48.496   57.024   16.898   66.865   23.469 -9.840622 28.91996 
1 1 1    8  -26    4 o  112.020   12.628  163.180   34.708  187.702   42.124  111.331   61.252  119.559   14.399   87.753   26.058 31.80541 29.77141 
1 1 1    8  -26    5 o   80.355   14.230   86.214   27.510   75.082   31.430  122.673   56.880   73.892   17.333   91.864   24.388 -17.97171 29.91950 
1 1 1    8  -26    6 o   70.992   15.219   68.600   26.170   68.918   29.439   67.400   57.138   70.635   16.914   70.643   25.404 -0.7911682E-02 30.51974 
1 1 1    8  -26    7 o  202.895   15.060  547.616   75.757  446.883   87.070  861.480  153.691  179.283   19.777  241.199   25.924 -61.91530 32.60624 
1 1 1    8  -26    8 o   47.968   15.837   30.239   22.038   37.091   24.030  -6.0225   55.283   52.268   16.479   49.199   21.990 3.068436 27.47959 
1 1 1    8  -26    9 o   52.988   16.089   38.904   23.158   55.155   25.533 -36.4663   54.988   62.514   16.218   43.172   20.239 19.34253 25.93501 
1 1 1    8  -26   10 o   43.197   15.365   23.333   20.846   21.190   22.504   36.286   55.329   42.615   15.842   57.815   23.793 -15.20047 28.58484 
1 1 1    8  -26   11 o   40.986   18.601  -9.9556   41.313  -8.1193   58.581 -11.7726   58.272   48.253   21.996   47.498   21.760 0.7548714 30.94107 
1 1 1    8  -26   12 o   53.819   21.476   36.512   43.501   39.559   60.759   33.307   62.308   57.980   24.474   56.825   24.410 1.154934 34.56625 
1 1 1    8  -26   13 o   49.259   20.893   22.359   44.621  -4.8722   63.198   49.427   63.009   48.938   22.509   59.726   25.051 -10.78767 33.67817 
1 1 1    8  -26   14 o   43.597   19.836  -3.2173   47.352 -40.0155   64.587   39.547   69.627   43.712   20.909   57.455   25.226 -13.74296 32.76464 
1 1 1    8  -25    0 o  109.221   11.215  152.637   30.155  146.238   38.443  162.872   48.617  105.895   14.954  110.813   18.201 -4.918205 23.55629 
1 1 1    8  -25    1 o  105.206   11.861  142.249   30.616  150.122   38.230  128.171   51.123  107.346   14.644   96.850   21.678 10.49544 26.16096 
1 1 1    8  -25    2 o   62.510   15.389   52.210   23.862   59.505   27.770   31.619   46.652   66.575   16.725   58.050   22.515 8.525112 28.04764 
1 1 1    8  -25    3 o  173.103   11.037  381.888   47.460  413.371   62.028  337.426   73.712  179.050   13.984  159.576   18.863 19.47430 23.48064 
1 1 1    8  -25    4 o  145.243   16.522  277.190   58.859  305.635   83.463  249.049   83.016  149.262   23.141  132.966   25.933 16.29654 34.75697 
1 1 1    8  -25    5 o  128.844   11.703  213.548   37.243  236.423   45.964  169.823   63.547  134.859   13.845  109.848   23.850 25.01105 27.57714 
1 1 1    8  -25    6 o  179.783   11.272  414.448   50.350  455.443   64.593  350.967   80.380  187.238   13.914  160.599   20.511 26.63942 24.78515 
1 1 1    8  -25    7 o  101.512   12.874  134.948   31.902  157.887   37.750   77.625   59.674  109.416   14.147   75.092   26.052 34.32456 29.64538 
1 1 1    8  -25    8 o  109.721   14.013  159.396   37.518  135.911   39.300  400.818  126.005  100.218   16.261  158.661   32.883 -58.44354 36.68386 
1 1 1    8  -25    9 o   46.912   15.393   28.570   20.831   26.809   22.485   39.237   55.334   46.320   15.996   60.827   24.237 -14.50693 29.04014 
1 1 1    8  -25   10 o   47.633   15.564   29.948   21.304   23.614   23.097   66.049   55.144   44.567   16.135   68.459   24.908 -23.89223 29.67690 
1 1 1    8  -25   11 o   62.759   15.510   55.261   24.167   52.149   26.665   69.578   57.187   60.605   16.954   68.852   25.317 -8.247181 30.46953 
1 1 1    8  -25   12 o   25.666   11.642  -7.6574   16.155  -9.4053   16.949   9.6873   53.392   25.794   11.787   50.609   22.158 -24.81497 25.09827 
1 1 1    8  -25   13 o   53.190   21.314   33.226   43.041   1.6811   60.352   65.875   61.400   50.520   22.747   65.806   25.745 -15.28626 34.35409 
1 1 1    8  -25   14 o   46.176   20.077   10.828   43.176  -1.7733   58.094   26.378   64.532   48.492   22.027   55.664   24.366 -7.171955 32.84707 
1 1 1    8  -25   15 o   35.372   16.894 -37.8447   41.847  -0.4335   58.683 -76.5511   59.690   48.290   22.014   38.235   18.708 10.05437 28.88908 
1 1 1    8  -25   16 o   43.275   19.612  -1.3544   45.713   14.019   62.469 -19.0765   67.072   51.126   23.069   47.054   22.152 4.072151 31.98256 
1 1 1    8  -24    0 o   65.983   16.911   58.073   27.993   67.645   32.178   28.286   56.764   71.060   18.088   61.091   24.479 9.968861 30.43618 
1 1 1    8  -24    1 o  136.442   11.007  236.968   37.185  269.378   49.733  195.876   55.998  144.739   13.932  121.585   19.071 23.15333 23.61749 
1 1 1    8  -24    2 o  334.336   12.335  1419.82  102.980  1465.06  143.548  1371.84  147.818  336.581   17.135  324.889   18.294 11.69177 25.06600 
1 1 1    8  -24    3 o   96.409   12.110  119.826   28.511  124.337   35.001  110.929   49.155   97.498   14.844   89.987   22.048 7.510132 26.57912 
1 1 1    8  -24    4 o   85.855   12.973   95.949   26.947   78.142   31.944  139.893   50.180   76.283   17.182  101.590   20.487 -25.30686 26.73843 
1 1 1    8  -24    5 o  191.199   13.278  469.410   63.006  465.647  102.958  471.662   79.664  185.682   22.676  190.026   16.966 -4.343887 28.32027 
1 1 1    8  -24    6 o   40.425   15.524   14.823   22.014   19.275   23.867 -10.5430   56.976   43.582   16.292   51.030   22.594 -7.448376 27.85559 
1 1 1    8  -24    7 o  158.748   10.160  321.166   40.067  284.174   49.712  389.750   67.689  148.090   13.594  172.537   15.889 -24.44627 20.91075 
1 1 1    8  -24    8 o  105.146   12.554  143.824   32.311  151.685   38.136  123.827   60.826  107.283   14.615   92.595   25.497 14.68812 29.38844 
1 1 1    8  -24    9 o   78.682   14.622   82.984   27.672   82.901   31.669   83.252   56.903   77.911   16.774   76.840   25.453 1.071175 30.48270 
1 1 1    8  -24   10 o  143.984   15.561  276.319   55.061  254.686   60.176  387.586  136.473  136.712   18.069  151.691   36.476 -14.97849 40.70583 
1 1 1    8  -24   11 o   76.369   15.120   79.627   27.814   74.085   31.612   98.623   58.530   72.683   17.603   80.881   25.742 -8.198479 31.18575 
1 1 1    8  -24   12 o   52.232   16.031   37.320   22.911   44.174   25.085   2.8216   56.274   56.366   16.661   51.283   22.593 5.083782 28.07156 
1 1 1    8  -24   13 o   64.817   15.432   58.989   24.618   64.620   27.059   31.928   59.316   67.561   16.240   58.204   24.353 9.356850 29.27057 
1 1 1    8  -24   14 o   39.496   18.171 -17.9422   41.227   0.9994   58.066 -37.1985   58.546   50.198   22.479   43.878   20.668 6.320004 30.53693 
1 1 1    8  -24   15 o   72.493   23.250   85.134   47.675  114.365   65.429   52.046   69.612   80.379   27.300   62.869   26.349 17.50986 37.94113 
1 1 1    8  -24   16 o   47.875   20.527   16.785   43.916   14.930   59.929   18.938   64.541   52.074   23.109   53.994   23.970 -1.920071 33.29512 
1 1 1    8  -24   17 o   54.335   21.930   39.621   45.923   46.327   61.924   31.426   68.457   58.468   24.695   56.295   24.853 2.173061 35.03629 
1 1 1    8  -23    0 o   72.748   12.912   69.039   22.598   81.875   28.833   48.596   36.385   78.859   15.193   62.111   20.343 16.74772 25.38968 
1 1 1    8  -23    1 o  170.143   15.420  372.705   64.803  623.679   88.187   78.097   95.546  220.139   16.155   84.689   32.385 135.4509 36.19063 
1 1 1    8  -23    2 o  446.898   22.529  2628.56  250.614  2777.61  351.556  2474.56  357.358  448.554   31.587  419.606   34.407 28.94791 46.70774 
1 1 1    8  -23    3 o  223.291   10.503  629.854   58.566  659.614   80.079  595.631   85.875  227.003   14.198  214.902   16.119 12.10077 21.48062 
1 1 1    8  -23    4 o   63.275   14.819   53.198   23.004   62.436   27.209   30.043   43.075   68.400   16.182   56.434   21.705 11.96579 27.07387 
1 1 1    8  -23    5 o   80.301   13.155   84.149   25.465   88.637   30.355   73.486   46.785   81.880   15.411   74.177   22.932 7.703056 27.62903 
1 1 1    8  -23    6 o   31.518   13.170   2.7456   17.315   15.786   18.814 -69.4934   44.280   39.270   14.507   34.448   16.686 4.821770 22.11041 
1 1 1    8  -23    7 o  234.004   15.842  709.566   92.028  774.250  130.207  645.001  130.087  240.596   21.912  217.782   24.336 22.81380 32.74716 
1 1 1    8  -23    8 o  216.947   10.383  596.946   56.253  593.771   72.831  601.641   88.566  214.761   13.651  214.627   16.655 0.1341705 21.53469 
1 1 1    8  -23    9 o   86.686   13.479   98.660   28.229  109.381   32.645   66.876   56.209   90.912   14.896   71.947   25.266 18.96470 29.32987 
1 1 1    8  -23   10 o  301.563   12.548  1168.54   94.495  1246.53  127.571  1073.74  140.656  307.782   16.660  282.356   20.079 25.42630 26.09106 
1 1 1    8  -23   11 o   48.037   15.499   29.807   21.163   30.833   23.087   24.410   52.946   49.093   16.210   56.840   23.320 -7.747658 28.40066 
1 1 1    8  -23   12 o   89.624   17.584  110.848   37.949  113.098   39.576   85.169  133.696   90.274   18.185   84.720   36.057 5.554581 40.38287 
1 1 1    8  -23   13 o   40.415   14.893   18.134   19.805   21.227   21.186  -3.2908   55.758   42.703   15.454   50.225   22.289 -7.521889 27.12208 
1 1 1    8  -23   14 o   95.714   13.447  123.052   31.255  125.039   35.786  116.660   64.172   95.415   15.555   85.405   26.930 10.01062 31.09986 
1 1 1    8  -23   15 o   76.888   15.470   82.715   28.674  103.713   32.021  -2.2498   64.413   86.356   15.414   52.184   23.497 34.17187 28.10218 
1 1 1    8  -23   16 o   47.631   20.111   16.245   41.045   38.661   55.002 -11.9254   61.660   57.808   23.749   48.839   22.378 8.968575 32.63090 
1 1 1    8  -23   17 o   80.477   23.319  106.242   49.575  128.256   68.494   82.019   71.847   83.913   27.931   69.939   27.697 13.97421 39.33526 
1 1 1    8  -23   18 o   47.957   20.518   17.872   43.710   65.705   58.568 -42.2629   65.669   63.983   25.112   44.535   21.241 19.44800 32.89066 
1 1 1    8  -23   19 o   53.928   22.071   38.411   47.280  143.722   66.646 -68.2892   67.084   86.333   27.468   41.450   20.183 44.88272 34.08575 
1 1 1    8  -22    0 o   65.455   13.021   56.138   20.534   57.684   26.412   53.775   32.647   65.935   16.165   64.087   19.023 1.848289 24.96369 
1 1 1    8  -22    1 o  102.624   10.617  134.215   26.815  141.878   35.609  124.180   40.754  104.805   13.953   97.028   17.462 7.777275 22.35160 
1 1 1    8  -22    2 o  456.408   15.822  2661.80  180.329  2946.00  254.650  2375.93  255.399  475.629   21.440  424.171   24.212 51.45761 32.34036 
1 1 1    8  -22    3 o  368.285   18.595  1754.18  170.460  1689.36  237.299  1823.27  245.022  354.721   26.992  368.761   26.791 -14.03986 38.03020 
1 1 1    8  -22    4 o  189.120   9.9195  452.199   46.683  416.423   62.143  498.538   70.726  180.372   13.904  197.259   14.459 -16.88672 20.05920 
1 1 1    8  -22    5 o   89.974   11.897  104.275   26.075  103.605   31.575  105.714   46.235   88.985   14.724   88.272   21.234 0.7138672 25.83937 
1 1 1    8  -22    6 o  135.848   10.684  234.707   35.951  245.899   45.898  216.939   57.831  138.347   13.456  128.213   18.606 10.13376 22.96169 
1 1 1    8  -22    7 o  124.584   10.744  197.788   33.098  187.330   41.178  216.876   55.633  120.383   13.957  128.356   17.839 -7.973503 22.64982 
1 1 1    8  -22    8 o   92.799   12.143  111.235   27.465  111.007   32.689  111.783   50.648   92.009   14.724   90.130   22.557 1.879280 26.93698 
1 1 1    8  -22    9 o  153.462   15.755  306.663   59.519  387.210   83.799  224.668   84.550  170.586   20.055  125.827   27.662 44.75861 34.16685 
1 1 1    8  -22   10 f  152.441   10.785  296.530   40.791  300.888   50.653  288.489   68.804  152.675   13.422  147.020   19.199 5.655670 23.42571 
1 1 1    8  -22   11 f   65.384   14.930   57.416   23.841   42.589   26.702  115.682   52.934   56.710   17.288   90.590   23.275 -33.88003 28.99329 
1 1 1    8  -22   12 o   88.877   13.192  103.863   28.390  108.778   32.711   88.858   57.150   90.362   15.024   79.322   25.457 11.04017 29.56007 
1 1 1    8  -22   13 o  167.165   12.129  361.906   50.286  410.875   61.855  266.457   86.357  177.075   14.105  134.406   26.671 42.66866 30.17102 
1 1 1    8  -22   14 o   39.692   15.011   16.056   20.384   22.224   21.606 -33.9196   61.502   43.548   15.626   47.355   21.931 -3.806980 26.92839 
1 1 1    8  -22   15 o   33.505   13.748   6.3440   18.406   12.785   19.598 -41.8505   53.607   37.409   14.570   42.167   19.837 -4.758358 24.61250 
1 1 1    8  -22   16 o   83.309   14.218   94.737   28.517   97.204   31.984   85.177   62.968   83.564   15.909   74.304   26.674 9.259865 31.05807 
1 1 1    8  -22   17 o  106.654   12.972  153.267   33.837  169.076   38.466   99.183   71.147  111.336   14.155   77.086   28.255 34.24983 31.60229 
1 1 1    8  -22   18 o   47.789   20.332   15.665   42.485   4.6301   57.676   28.755   62.820   50.321   22.478   56.777   24.452 -6.456127 33.21376 
1 1 1    8  -22   19 o   37.933   17.693 -22.8943   41.158 -33.3548   55.393 -10.0015   61.496   42.390   20.009   48.226   22.190 -5.836460 29.87887 
1 1 1    8  -22   20 o   78.489   24.462  107.507   53.118  182.951   73.704   25.971   76.622   98.159   28.430   57.068   25.668 41.09172 38.30327 
1 1 1    8  -21    0 o   59.117   13.734   46.040   19.888   72.104   26.488   12.360   30.110   74.075   14.837   44.287   17.799 29.78791 23.17163 
1 1 1    8  -21    1 o   90.203   10.599  103.914   23.419   94.956   31.123  115.606   35.557   85.180   15.189   94.075   15.688 -8.895058 21.83611 
1 1 1    8  -21    2 o  192.630   10.263  468.815   49.189  536.640   68.440  396.346   70.744  205.303   13.423  175.448   16.335 29.85510 21.14249 
1 1 1    8  -21    3 o  437.967   15.087  2443.71  165.003  2647.00  232.922  2238.93  233.779  451.909   20.640  413.478   22.729 38.43121 30.70169 
1 1 1    8  -21    4 o  550.752   18.170  3902.65  249.902  4074.62  352.781  3729.44  354.053  554.914   25.458  528.607   26.911 26.30682 37.04461 
1 1 1    8  -21    5 o  100.416   15.064  131.275   36.610  153.138   43.556   78.653   67.573  108.165   16.660   79.496   27.715 28.66829 32.33663 
1 1 1    8  -21    6 o  104.100   10.814  138.302   27.701  131.212   34.253  151.704   47.095  100.626   14.011  107.113   18.262 -6.486656 23.01781 
1 1 1    8  -21    7 o  105.791   10.942  142.930   28.489  162.048   35.347  107.482   48.131  112.271   12.838   88.910   21.837 23.36072 25.33135 
1 1 1    8  -21    8 o   80.943   12.859   85.220   25.123  103.045   29.846   41.888   46.536   88.916   13.897   61.858   22.823 27.05827 26.72110 
1 1 1    8  -21    9 o  100.084   11.768  128.729   28.850  132.984   34.657  119.126   52.066  101.139   14.106   93.205   22.603 7.933945 26.64347 
1 1 1    8  -21   10 o  191.819   10.498  467.039   50.098  503.678   64.723  412.280   79.125  198.322   13.143  177.320   18.124 21.00127 22.38811 
1 1 1    8  -21   11 o   94.665   19.479  121.423   44.512  189.957   62.319   50.046   63.598  117.968   21.963   68.813   26.396 49.15545 34.33829 
1 1 1    8  -21   12 o  160.570   10.891  329.118   43.412  365.463   54.125  263.570   72.687  168.494   12.963  139.162   21.618 29.33224 25.20653 
1 1 1    8  -21   13 o   66.665   15.248   59.856   24.833   63.289   27.492   44.632   57.886   68.344   16.331   64.901   25.106 3.442490 29.95044 
1 1 1    8  -21   14 o  144.903   11.339  270.407   40.704  278.578   48.765  251.638   73.909  146.171   13.513  133.766   22.952 12.40451 26.63469 
1 1 1    8  -21   15 o   93.618   17.234  119.930   38.806  119.722   40.194  122.789  148.942   93.225   17.916   92.802   38.688 0.4232864 42.63541 
1 1 1    8  -21   16 o   80.439   14.294   87.383   27.660   91.688   30.859   69.789   62.384   81.869   15.665   71.267   26.399 10.60237 30.69729 
1 1 1    8  -21   17 o  182.298   12.446  437.044   56.317  515.361   69.040  281.303   97.359  196.589   14.158  130.438   30.444 66.15082 33.57555 
1 1 1    8  -21   18 o  134.286   12.819  240.532   42.466  276.744   49.958  146.228   80.621  143.133   14.163   91.266   30.300 51.86778 33.44618 
1 1 1    8  -21   19 o   31.002   15.101 -56.7170   37.651 -62.2904   49.879 -49.3352   57.403   36.629   17.734   41.655   19.865 -5.026546 26.62928 
1 1 1    8  -21   20 o   61.652   25.855   48.537   67.097   0.0000   0.0000   48.537   67.097  ?   ?    61.652   25.855 0.000000 25.85468 
1 1 1    8  -21   21 o   52.630   23.251   17.706   60.010   17.706   60.010   0.0000   0.0000   52.630   23.251  ?   ?  0.000000 23.25082 
1 1 1    8  -21   22 o   55.628   22.220   43.982   46.611   71.335   63.447   11.912   68.700   64.630   25.886   52.636   23.927 11.99413 35.24990 
1 1 1    8  -20    0 o  439.739   14.782  2453.13  162.323  2535.90  229.466  2370.22  229.653  443.738   20.708  427.971   21.558 15.76718 29.89250 
1 1 1    8  -20    1 o  267.602   15.626  913.711  103.970  831.775  147.038  995.643  147.035  251.812   23.661  276.828   21.437 -25.01646 31.92734 
1 1 1    8  -20    2 f  228.596   10.196  657.850   58.203  677.503   81.451  637.343   83.200  230.684   14.208  223.470   14.996 7.213867 20.65831 
1 1 1    8  -20    3 o  239.916   10.290  724.949   61.651  739.588   86.391  709.756   88.007  240.915   14.426  235.788   15.025 5.126831 20.82946 
1 1 1    8  -20    4 o  223.154   10.387  627.498   57.880  685.927   80.672  565.513   83.090  232.053   13.987  209.978   15.966 22.07448 21.22588 
1 1 1    8  -20    5 o  275.824   11.450  960.923   78.869  1012.83  110.280  906.583  112.839  281.327   15.761  265.538   17.108 15.78864 23.26138 
1 1 1    8  -20    6 o   96.578   10.670  119.056   25.305  121.844   31.731  114.187   41.940   97.113   13.445   92.602   18.779 4.510460 23.09601 
1 1 1    8  -20    7 o  158.201   14.193  320.856   55.473  347.914   69.742  274.249   91.529  163.782   17.315  141.498   26.887 22.28412 31.97941 
1 1 1    8  -20    8 o  120.241   10.574  183.874   31.427  196.202   39.732  163.270   51.363  123.663   13.064  110.913   19.243 12.75014 23.25817 
1 1 1    8  -20    9 o  130.597   10.584  216.789   34.220  225.426   43.238  202.313   55.981  132.543   13.241  123.841   18.683 8.701920 22.89909 
1 1 1    8  -20   10 o  120.768   11.468  186.311   34.170  214.906   42.546  134.350   57.353  129.285   13.372   98.926   23.555 30.35922 27.08556 
1 1 1    8  -20   11 o  167.721   10.580  357.166   44.087  373.058   56.193  331.725   71.101  170.621   13.294  159.032   18.233 11.58910 22.56451 
1 1 1    8  -20   12 o  199.316   15.155  513.064   74.865  538.336  105.291  487.222  106.470  201.041   21.297  190.276   22.865 10.76479 31.24714 
1 1 1    8  -20   13 o  260.640   11.749  864.549   76.470  918.268  100.913  792.096  117.194  266.520   15.225  244.931   19.317 21.58885 24.59633 
1 1 1    8  -20   14 o  101.160   12.121  132.453   30.010  132.465   34.631  132.418   60.131  100.524   14.190   96.617   24.798 3.907127 28.57070 
1 1 1    8  -20   15 o   40.642   14.756   18.151   19.338   14.039   20.770   44.930   53.007   39.174   15.071   63.498   24.160 -24.32389 28.47495 
1 1 1    8  -20   16 o  101.548   12.224  134.559   30.376  129.158   34.747  152.067   62.557   98.595   14.550  102.083   24.788 -3.487419 28.74263 
1 1 1    8  -20   17 o   63.778   17.858   56.555   29.571   56.598   30.067   55.301  163.523   63.785   18.059   83.977   37.656 -20.19175 41.76296 
1 1 1    8  -20   18 o   98.343   13.793  129.490   32.942  144.808   37.996   83.127   66.105  103.398   15.166   75.182   27.284 28.21542 31.21570 
1 1 1    8  -20   19 o   97.961   13.581  129.290   32.330  128.051   36.639  133.649   68.712   96.303   15.782   90.195   27.775 6.107674 31.94599 
1 1 1    8  -20   20 o   61.779   16.921   54.847   26.874   68.687   29.382 -15.9993   66.477   69.037   17.126   50.288   23.113 18.74872 28.76649 
1 1 1    8  -20   21 o   57.430   21.750   45.303   42.837   61.429   57.268   24.821   64.543   64.414   24.957   56.437   24.543 7.977055 35.00283 
1 1 1    8  -20   22 o   57.594   22.264   46.572   45.496   43.951   61.918   49.647   67.072   59.348   24.860   61.456   25.815 -2.108044 35.83915 
1 1 1    8  -20   23 o   50.693   21.286   26.614   45.575   26.509   62.495   26.734   66.607   54.550   23.926   55.422   24.489 -0.8716736 34.23716 
1 1 1    8  -19    0 o  470.986   15.450  2813.00  181.708  2851.57  256.998  2774.43  256.951  470.585   21.870  463.977   22.177 6.607849 31.14645 
1 1 1    8  -19    1 o  303.105   11.396  1157.36   86.258  1163.33  121.737  1151.33  122.241  302.118   16.195  300.491   16.352 1.626923 23.01443 
1 1 1    8  -19    2 o  282.887   11.000  1007.88   77.703  1055.17  109.542  959.976  110.240  287.909   15.291  274.265   16.167 13.64331 22.25311 
1 1 1    8  -19    3 o  322.399   17.226  1330.20  138.180  1326.44  195.418  1333.96  195.414  317.841   24.818  318.792   24.741 -0.9514465 35.04317 
1 1 1    8  -19    4 o  255.952   10.725  825.338   68.553  902.786   96.095  745.078   97.824  266.335   14.503  241.257   16.333 25.07806 21.84317 
1 1 1    8  -19    5 o  143.147   9.2887  258.707   33.024  265.327   44.643  250.708   49.078  144.336   12.510  139.861   14.251 4.474991 18.96285 
1 1 1    8  -19    6 o  342.018   12.520  1479.93  106.935  1490.57  150.016  1468.95  152.471  340.605   17.698  337.881   18.137 2.723450 25.34133 
1 1 1    8  -19    7 o  143.776   9.7005  261.385   34.625  265.391   45.689  255.980   53.069  144.212   12.821  140.962   15.323 3.249664 19.97910 
1 1 1    8  -19    8 o  151.038   9.6508  288.380   36.210  275.469   47.286  306.685   56.304  146.857   13.029  154.540   14.769 -7.683411 19.69516 
1 1 1    8  -19    9 o   59.905   15.683   47.512   23.736   33.248   25.398  145.928   66.714   51.820   16.997  102.954   25.956 -51.13393 31.02600 
1 1 1    8  -19   10 o  250.590   10.684  792.900   66.858  788.527   90.914  798.050   98.665  248.248   14.731  249.239   15.936 -0.9916840 21.70168 
1 1 1    8  -19   11 o  267.645   11.716  907.185   78.304  976.392  107.091  827.678  114.785  275.757   15.616  252.496   18.329 23.26125 24.07946 
1 1 1    8  -19   12 o  202.079   10.475  517.366   52.680  531.681   69.109  497.510   81.391  203.842   13.656  195.940   16.797 7.902466 21.64717 
1 1 1    8  -19   13 o  224.802   11.016  640.050   61.843  668.536   81.257  600.834   95.340  228.219   14.331  214.645   17.952 13.57430 22.97036 
1 1 1    8  -19   14 o   82.494   20.405   92.899   41.801   93.711   56.794   91.938   61.747   82.621   25.219   82.268   26.468 0.3529205 36.55873 
1 1 1    8  -19   15 o   64.590   14.466   55.679   22.752   50.892   25.232   76.506   52.626   61.561   16.195   75.370   24.454 -13.80871 29.33076 
1 1 1    8  -19   16 o  122.037   12.065  192.213   36.285  225.632   43.001  109.580   67.618  131.895   13.234   87.577   27.647 44.31865 30.65137 
1 1 1    8  -19   17 o  106.792   12.025  148.119   31.511  137.505   36.315  180.460   63.391  101.889   14.698  112.747   23.286 -10.85799 27.53659 
1 1 1    8  -19   18 o   65.233   17.986   58.973   30.244   58.218   30.758   81.009  166.115   64.813   18.236   88.604   38.932 -23.79121 42.99116 
1 1 1    8  -19   19 o   97.359   27.370  147.681   69.316   0.0000   0.0000  147.681   69.316  ?   ?    97.359   27.370 0.000000 27.36981 
1 1 1    8  -19   20 o   69.732   16.280   68.134   27.833   68.134   27.833   0.0000   0.0000   69.732   16.280  ?   ?  0.000000 16.27952 
1 1 1    8  -19   21 o   90.469   14.430  112.117   31.505  119.157   35.336   84.818   69.578   92.509   15.867   73.707   27.766 18.80168 31.97968 
1 1 1    8  -19   22 o  102.932   20.785  159.508   51.586  177.002   71.065  140.021   75.001  102.037   27.338   88.426   29.218 13.61029 40.01349 
1 1 1    8  -19   23 o   38.628   17.802 -16.9821   39.801 -20.1646   53.782 -13.1289   59.178   44.169   20.474   47.338   21.776 -3.169132 29.88966 
1 1 1    8  -19   24 o   43.113   19.378  -2.0723   43.579 -10.6400   59.185   8.0738   64.406   47.109   21.710   51.893   23.419 -4.783348 31.93401 
1 1 1    8  -19   25 o   39.463   18.414 -19.8606   44.645  -6.2591   61.763 -34.7436   64.607   47.779   22.075   44.514   21.186 3.265064 30.59657 
1 1 1    8  -18    0 o  204.443   8.8026  524.144   44.940  675.029   64.271  379.802   62.862  231.715   11.107  172.760   14.711 58.95462 18.43361 
1 1 1    8  -18    1 o  394.052   13.465  1959.82  132.500  1947.98  187.280  1971.69  187.486  390.701   19.195  393.114   19.099 -2.413086 27.07798 
1 1 1    8  -18    2 f  108.288   9.2523  148.269   24.779  144.703   34.193  152.213   35.961  106.285   13.165  108.979   13.503 -2.693359 18.85847 
1 1 1    8  -18    3 o  259.715   10.536  848.505   68.332  892.711   96.254  803.590   97.022  265.107   14.596  251.196   15.543 13.91113 21.32203 
1 1 1    8  -18    4 o  429.077   14.596  2333.48  156.391  2422.56  220.877  2243.92  221.463  434.137   20.374  416.752   21.352 17.38559 29.51261 
1 1 1    8  -18    5 o  229.836   14.532  672.440   82.975  632.209  117.338  712.680  117.351  220.287   21.609  234.583   20.231 -14.29550 29.60083 
1 1 1    8  -18    6 o  316.916   11.999  1268.05   94.958  1304.48  133.218  1230.43  135.391  319.351   16.764  309.764   17.575 9.587433 24.28796 
1 1 1    8  -18    7 f  197.085   9.1790  488.288   45.175  476.188   61.804  502.169   66.196  193.590   12.858  198.671   13.422 -5.080704 18.58643 
1 1 1    8  -18    8 o  178.199   9.6766  400.762   42.899  391.808   57.798  411.746   64.014  175.363   13.297  179.488   14.403 -4.125290 19.60290 
1 1 1    8  -18    9 o  112.358   10.195  160.322   28.293  166.582   35.855  149.992   46.062  114.006   12.816  106.792   17.906 7.213676 22.02023 
1 1 1    8  -18   10 o  109.101   14.646  154.033   38.894  169.551   45.627  112.781   74.393  114.046   16.501   91.586   29.008 22.46043 33.37293 
1 1 1    8  -18   11 o  146.577   10.598  272.465   38.529  307.690   50.100  221.472   60.279  155.217   13.046  129.700   19.191 25.51723 23.20534 
1 1 1    8  -18   12 o  260.029   10.818  854.034   70.245  835.851   94.836  876.137  104.558  255.519   14.928  261.096   16.115 -5.577454 21.96663 
1 1 1    8  -18   13 o  143.694   10.748  262.334   38.289  282.673   47.638  225.215   64.357  148.624   12.965  130.105   20.486 18.51860 24.24403 
1 1 1    8  -18   14 o  155.578   10.412  307.198   40.217  271.767   49.693  374.461   68.469  145.362   13.858  169.947   16.335 -24.58514 21.42101 
1 1 1    8  -18   15 o  153.026   10.728  297.875   40.737  301.395   49.744  290.708   70.983  153.237   13.126  148.018   19.693 5.219833 23.66647 
1 1 1    8  -18   16 o   67.206   20.910   60.027   38.828  101.306   52.957   12.038   57.100   85.430   23.890   56.374   23.757 29.05617 33.69193 
1 1 1    8  -18   17 o  128.509   11.235  211.764   35.691  215.003   42.193  203.615   66.918  128.826   13.307  121.231   22.945 7.594711 26.52433 
1 1 1    8  -18   18 o  194.613   11.226  485.297   54.325  512.050   67.236  434.988   92.200  198.736   13.630  178.595   21.080 20.14091 25.10249 
1 1 1    8  -18   19 o   68.075   15.307   62.954   25.389   45.936   27.887  145.377   61.371   58.272   17.646   99.735   24.757 -41.46354 30.40222 
1 1 1    8  -18   20 o   53.326   17.625   37.471   27.292   41.193   27.586 -134.2768  187.380   55.349   17.679   70.972   34.363 -15.62247 38.64420 
1 1 1    8  -18   21 o   61.479   16.061   52.669   24.930   62.877   27.425   4.0976   59.820   67.036   16.495   53.040   23.333 13.99603 28.57436 
1 1 1    8  -18   22 o   67.810   15.837   64.601   26.333   62.557   28.962   74.349   63.258   66.172   17.324   70.841   26.516 -4.669487 31.67330 
1 1 1    8  -18   23 f   77.813   15.311   84.843   28.691   94.654   31.859   42.737   65.998   81.818   16.166   61.594   25.722 20.22373 30.38055 
1 1 1    8  -18   24 o   41.598   18.626  -4.3284   39.853  -6.4828   54.604  -1.8727   58.299   47.168   21.399   49.324   22.268 -2.155849 30.88352 
1 1 1    8  -18   25 o   47.787   20.653   14.043   45.140 -10.3734   61.920   41.737   65.946   48.334   22.249   59.397   25.303 -11.06339 33.69341 
1 1 1    8  -18   26 o   40.648   18.847 -16.7400   45.617   44.359   62.766 -85.1476   66.414   58.261   24.748   39.806   19.529 18.45464 31.52583 
1 1 1    8  -17    0 o  382.116   18.542  1852.18  176.933  2099.24  250.749  1607.19  249.697  403.515   25.008  351.078   28.733 52.43704 38.09156 
1 1 1    8  -17    1 o  361.187   12.526  1641.68  112.980  1731.50  160.150  1552.68  159.408  369.613   17.351  349.248   18.342 20.36536 25.24865 
1 1 1    8  -17    2 o   95.870   9.6927  116.502   22.886  122.678   31.917  109.965   32.833   97.760   13.429   92.194   14.759 5.566521 19.95413 
1 1 1    8  -17    3 o  222.585   9.7670  622.051   54.288  660.125   76.537  583.500   77.016  228.337   13.483  214.399   14.470 13.93840 19.77753 
1 1 1    8  -17    4 o  156.656   9.1297  309.049   35.561  338.969   49.547  277.264   51.068  163.560   12.219  147.467   14.037 16.09280 18.61035 
1 1 1    8  -17    5 o  262.125   10.762  864.541   70.443  943.289   99.055  783.966  100.198  272.551   14.607  247.886   16.277 24.66449 21.87022 
1 1 1    8  -17    6 o  258.859   10.579  843.252   68.382  833.075   95.690  853.873   97.756  255.851   15.043  258.991   15.181 -3.140472 21.37228 
1 1 1    8  -17    7 o  322.026   17.086  1326.21  136.904  1257.54  193.026  1395.72  194.204  309.289   25.211  326.703   23.972 -17.41397 34.78860 
1 1 1    8  -17    8 o  264.985   10.612  884.371   70.225  864.742   97.811  905.254  100.886  260.463   15.103  266.470   15.224 -6.006592 21.44468 
1 1 1    8  -17    9 o  217.406   9.8997  594.821   53.746  591.737   73.605  598.344   78.663  215.642   13.740  216.577   14.631 -0.9346466 20.07088 
1 1 1    8  -17   10 o  145.725   9.8677  268.511   35.697  289.505   46.894  239.582   55.047  150.772   12.570  136.037   16.545 14.73555 20.77816 
1 1 1    8  -17   11 o  227.687   9.9775  652.890   56.730  630.374   76.952  679.695   83.962  222.412   13.925  230.736   14.648 -8.324524 20.21074 
1 1 1    8  -17   12 f  293.222   16.517  1103.24  120.447  1102.60  163.123  1104.02  178.602  289.700   22.731  288.375   25.050 1.324768 33.82622 
1 1 1    8  -17   13 o  219.456   10.653  607.811   58.383  651.875   78.107  552.020   87.887  226.023   13.906  206.737   17.179 19.28683 22.10219 
1 1 1    8  -17   14 o  302.953   11.331  1160.72   85.720  1109.79  116.717  1220.36  126.302  294.002   15.957  308.062   16.478 -14.06027 22.93813 
1 1 1    8  -17   15 o  322.083   12.112  1315.51   97.415  1335.34  132.977  1292.55  143.113  321.945   16.597  315.733   18.229 6.212952 24.65248 
1 1 1    8  -17   16 o   95.582   11.996  117.682   28.002  102.259   32.208  165.437   56.673   88.182   15.173  110.629   21.287 -22.44733 26.14129 
1 1 1    8  -17   17 o   79.356   20.425   85.869   40.715  135.662   54.092   20.788   61.841   99.341   22.346   60.509   25.052 38.83286 33.57031 
1 1 1    8  -17   18 o   98.883   24.956  137.980   61.627   0.0000   0.0000  137.980   61.627  ?   ?    98.883   24.956 0.000000 24.95600 
1 1 1    8  -17   19 o   98.778   14.403  128.484   34.482  128.484   34.482   0.0000   0.0000   98.778   14.403  ?   ?  0.000000 14.40292 
1 1 1    8  -17   20 o  155.933   11.327  312.978   43.806  336.175   52.474  259.638   79.572  160.800   13.184  134.794   24.544 26.00560 27.86045 
1 1 1    8  -17   21 o   53.225   16.620   37.881   24.505   36.231   26.809   46.260   60.418   52.694   17.472   64.646   25.463 -11.95195 30.88037 
1 1 1    8  -17   22 o  114.426   13.179  173.423   36.971  194.932   42.109  101.072   77.231  120.841   14.227   81.264   29.491 39.57740 32.74301 
1 1 1    8  -17   23 o   99.187   13.645  132.366   32.902  133.904   37.280  126.949   69.976   98.701   15.647   88.041   28.160 10.65985 32.21562 
1 1 1    8  -17   24 f   54.739   16.845   42.184   25.278   52.919   27.738 -10.4150   61.398   60.706   17.400   49.669   22.594 11.03725 28.51759 
1 1 1    8  -17   25 o   66.146   22.340   67.035   43.811  108.560   60.816   22.233   63.169   80.272   26.300   55.857   24.286 24.41446 35.79798 
1 1 1    8  -17   26 o   81.123   23.115  107.113   49.097  167.073   68.364   43.249   70.554   97.633   27.088   60.903   26.063 36.73003 37.59060 
1 1 1    8  -17   27 o   70.061   23.824   83.162   49.829  116.819   69.113   46.727   71.909   78.421   27.967   60.475   26.102 17.94507 38.25563 
1 1 1    8  -17   28 f   85.597   24.798  132.220   56.067  192.692   77.300   65.091   81.444   97.221   29.366   63.095   27.503 34.12613 40.23345 
1 1 1    8  -16    0 o  245.264   11.975  755.128   73.340  799.060   89.768  666.938  127.187  251.605   14.347  227.874   22.651 23.73109 26.81233 
1 1 1    8  -16    1 o  487.812   15.853  3001.67  193.109  3076.31  273.267  2927.21  272.927  491.415   22.268  479.124   22.811 12.29099 31.87838 
1 1 1    8  -16    2 o  172.950   12.730  378.167   54.591  410.825   77.022  345.199   77.387  179.373   17.415  163.849   19.283 15.52353 25.98241 
1 1 1    8  -16    3 o  376.678   12.970  1786.12  122.004  1768.64  172.344  1803.68  172.735  373.266   18.490  376.991   18.348 -3.725403 26.04858 
1 1 1    8  -16    4 o  284.374   10.907  1016.12   77.455  1081.63  109.262  949.937  109.816  292.202   15.025  273.476   16.152 18.72635 22.05978 
1 1 1    8  -16    5 o  482.792   15.827  2952.58  190.810  2996.17  269.577  2908.81  270.116  482.918   22.354  475.589   22.744 7.328094 31.89044 
1 1 1    8  -16    6 o  113.130   9.3450  161.751   26.164  183.044   35.536  136.542   38.665  119.953   12.025  102.695   15.565 17.25902 19.66911 
1 1 1    8  -16    7 o  210.357   9.5590  555.872   50.213  537.877   69.773  575.206   72.321  205.841   13.651  212.887   13.676 -7.045547 19.32350 
1 1 1    8  -16    8 o  177.518   11.129  398.414   49.083  387.103   83.173  404.458   60.798  172.727   19.632  178.284   13.763 -5.556793 23.97519 
1 1 1    8  -16    9 o  301.698   16.481  1162.59  123.698  1179.89  174.584  1145.14  175.290  300.543   23.447  295.785   23.937 4.758118 33.50769 
1 1 1    8  -16   10 o   89.428   10.657  102.120   23.330  108.516   29.199   90.830   38.796   91.726   13.121   82.535   19.187 9.190308 23.24486 
1 1 1    8  -16   11 o  471.613   15.993  2834.56  188.356  2918.15  265.158  2749.41  267.610  473.916   22.405  458.651   23.444 15.26462 32.42838 
1 1 1    8  -16   12 o  222.919   10.422  626.117   58.014  664.451   79.206  581.751   85.210  228.422   13.953  212.966   16.143 15.45576 21.33676 
1 1 1    8  -16   13 o   90.743   11.295  105.502   25.041   97.084   29.925  125.169   45.738   86.307   14.391   96.910   19.574 -10.60373 24.29488 
1 1 1    8  -16   14 o  207.412   15.136  551.076   77.855  580.511   98.937  503.204  126.171  211.430   18.939  193.007   26.910 18.42345 32.90669 
1 1 1    8  -16   15 o  155.657   10.061  306.700   38.897  306.597   49.017  306.875   63.922  154.988   12.779  153.821   16.921 1.166916 21.20410 
1 1 1    8  -16   16 o  192.412   10.735  469.093   51.376  479.409   66.246  453.523   81.382  193.618   13.791  186.889   17.647 6.729156 22.39670 
1 1 1    8  -16   17 o  153.350   10.301  298.338   39.217  286.333   47.839  322.936   68.478  149.536   12.939  157.229   17.752 -7.693054 21.96645 
1 1 1    8  -16   18 o   45.642   15.386   25.208   20.781   23.684   22.627   33.420   52.530   45.465   16.025   60.796   23.805 -15.33018 28.69606 
1 1 1    8  -16   19 o  193.836   15.031  486.388   72.190  487.228   99.477  485.454  104.924  190.721   21.248  189.540   22.614 1.181198 31.03047 
1 1 1    8  -16   20 f  223.991   11.510  641.459   64.164  674.872   80.946  584.969  105.251  228.351   14.267  208.692   20.459 19.65889 24.94235 
1 1 1    8  -16   21 o  185.310   11.209  440.564   51.625  461.991   63.247  397.792   89.360  188.650   13.515  170.126   21.515 18.52350 25.40759 
1 1 1    8  -16   22 o   75.554   14.315   76.728   26.020   74.891   28.936   84.491   59.483   74.017   16.112   76.955   26.031 -2.938255 30.61357 
1 1 1    8  -16   23 o  165.555   18.802  378.155   76.351  378.155   76.351   0.0000   0.0000  165.555   18.802  ?   ?  0.000000 18.80164 
1 1 1    8  -16   24 o   97.119   13.202  126.134   31.189  136.610   35.313   88.976   66.508  100.481   14.492   76.333   27.413 24.14806 31.00779 
1 1 1    8  -16   25 o   79.874   15.005   88.364   28.830  110.851   32.372   2.1592   63.383   89.696   14.981   52.874   23.595 36.82214 27.94951 
1 1 1    8  -16   26 o  131.103   13.372  232.155   43.164  282.498   50.148   88.219   84.795  144.121   14.115   73.968   29.819 70.15263 32.99111 
1 1 1    8  -16   27 o   85.001   23.624  117.562   51.950  145.099   71.841   87.380   75.211   89.519   28.523   72.059   28.401 17.46014 40.25097 
1 1 1    8  -16   28 o   62.643   22.927   61.796   46.823  133.615   64.410 -18.6888   68.186   85.747   26.972   48.681   22.729 37.06594 35.27219 
1 1 1    8  -16   29 o   69.899   24.089   86.043   50.979   90.911   70.267   80.632   74.074   69.345   27.413   66.689   27.498 2.656265 38.82780 
1 1 1    8  -15    0 o  142.534   8.9591  255.283   31.726  290.790   45.697  222.241   44.082  151.787   12.158  132.367   13.526 19.41917 18.18734 
1 1 1    8  -15    1 o  636.434   19.980  5124.16  317.539  5264.00  449.384  4984.71  448.754  641.004   28.074  623.336   28.829 17.66779 40.24040 
1 1 1    8  -15    2 o  192.816   8.9067  465.532   42.886  496.330   60.860  435.156   60.440  198.455   12.342  185.655   13.121 12.80005 18.01352 
1 1 1    8  -15    3 o  306.300   11.213  1177.27   85.769  1118.96  121.180  1235.81  121.413  297.345   16.383  313.109   15.528 -15.76477 22.57283 
1 1 1    8  -15    4 o  290.368   15.749  1067.21  113.767  1126.90  160.470  1006.88  161.315  296.589   21.820  279.762   23.303 16.82648 31.92345 
1 1 1    8  -15    5 o  316.089   11.439  1255.42   90.293  1178.33  127.215  1333.67  128.177  304.684   16.785  324.863   15.800 -20.17969 23.05156 
1 1 1    8  -15    6 o  158.033   8.8517  314.102   34.792  280.745   48.070  350.800   50.420  148.714   13.077  166.520   12.210 -17.80542 17.89126 
1 1 1    8  -15    7 o  308.682   11.433  1198.79   88.128  1244.15  123.983  1152.47  125.291  312.973   15.916  300.919   16.739 12.05380 23.09832 
1 1 1    8  -15    8 o  235.556   9.8396  697.032   57.879  689.232   80.713  705.288   83.044  233.125   13.928  235.771   14.171 -2.646225 19.86961 
1 1 1    8  -15    9 o  338.401   12.170  1444.07  102.843  1423.77  144.472  1464.93  146.433  333.878   17.388  338.690   17.372 -4.811737 24.57899 
1 1 1    8  -15   10 o  148.557   13.366  281.211   49.055  299.950   68.549  261.542   70.229  152.147   18.417  141.307   20.501 10.84012 27.55862 
1 1 1    8  -15   11 o  209.886   9.9235  554.070   52.011  545.226   70.833  564.418   76.616  207.068   13.777  210.443   14.671 -3.375763 20.12585 
1 1 1    8  -15   12 o  300.701   11.356  1140.34   85.269  1083.62  118.355  1201.55  122.954  291.149   16.345  306.728   16.109 -15.57919 22.94880 
1 1 1    8  -15   13 o   67.969   12.209   60.098   19.961   62.896   23.656   53.182   37.193   69.197   14.167   64.556   20.518 4.641159 24.93356 
1 1 1    8  -15   14 o  235.124   10.494  696.658   61.615  726.125   83.710  661.819   91.022  238.768   14.102  227.214   16.147 11.55441 21.43824 
1 1 1    8  -15   15 o  194.559   14.197  483.413   68.502  462.479   85.401  521.185  114.715  188.879   18.337  198.314   23.629 -9.434204 29.90988 
1 1 1    8  -15   16 o  152.056   10.632  293.082   40.118  302.449   50.314  276.730   66.475  153.859   13.224  145.453   18.737 8.405441 22.93349 
1 1 1    8  -15   17 o  271.709   17.842  954.236  120.384   0.0000   0.0000  954.236  120.384  ?   ?   271.709   17.842 0.000000 17.84167 
1 1 1    8  -15   18 o  257.719   14.813  851.059   94.929  851.059   94.929   0.0000   0.0000  257.719   14.813  ?   ?  0.000000 14.81263 
1 1 1    8  -15   19 o  126.946   10.918  205.436   34.275  182.384   40.543  263.180   64.169  118.773   13.934  141.293   18.642 -22.52030 23.27403 
1 1 1    8  -15   20 o   93.587   18.755  118.004   42.304  173.143   58.085   55.719   61.735  112.827   21.399   70.139   26.206 42.68805 33.83314 
1 1 1    8  -15   21 o  175.592   10.971  393.548   47.864  410.353   58.283  358.740   83.883  178.470   13.171  162.932   21.113 15.53871 24.88424 
1 1 1    8  -15   22 o  179.360   11.353  412.644   50.586  439.817   61.714  357.003   88.312  184.192   13.512  160.614   22.647 23.57797 26.37131 
1 1 1    8  -15   23 o  268.194   13.040  931.257   87.335  951.215  105.315  887.307  156.279  268.460   15.779  248.813   25.513 19.64703 29.99811 
1 1 1    8  -15   24 o   57.621   16.556   45.615   25.084   47.253   27.325   36.840   63.247   58.602   17.405   62.428   25.536 -3.826008 30.90311 
1 1 1    8  -15   25 o  139.529   12.994  257.438   44.753  284.324   51.371  172.794   91.148  145.859   14.287  100.225   32.148 45.63364 35.17984 
1 1 1    8  -15   26 o  185.489   12.113  453.389   55.800  514.308   66.313  305.634  103.275  196.270   13.614  133.177   31.540 63.09268 34.35296 
1 1 1    8  -15   27 o  186.836   12.529  464.600   58.118  511.876   69.085  350.130  107.499  194.318   14.338  141.122   31.322 53.19682 34.44779 
1 1 1    8  -15   28 o   57.751   21.566   46.487   41.796   29.333   58.473   64.408   59.765   56.047   23.849   65.555   25.468 -9.508694 34.89145 
1 1 1    8  -15   29 o  114.153   19.723  196.893   54.190  332.659   79.325   78.088   74.204  145.169   22.619   68.523   27.800 76.64541 35.83894 
1 1 1    8  -15   30 o   75.648   23.910   99.711   50.563   60.569   72.012  137.773   71.011   62.597   26.545   83.418   28.440 -20.82107 38.90372 
1 1 1    8  -15   31 o  112.197   22.439  212.014   60.674  347.380   88.391   91.400   83.435  137.128   26.773   66.886   28.476 70.24250 39.08549 
1 1 1    8  -14    0 o  538.246   17.233  3643.99  231.628  3719.99  327.853  3568.26  327.289  541.894   24.228  530.577   24.702 11.31708 34.60022 
1 1 1    8  -14    1 o  155.154   9.0871  302.264   35.054  321.292   50.092  284.003   49.073  159.572   12.675  149.887   13.247 9.684906 18.33409 
1 1 1    8  -14    2 o  642.696   20.006  5217.96  321.083  5275.37  454.252  5160.65  453.907  642.494   28.312  635.315   28.611 7.179138 40.25125 
1 1 1    8  -14    3 o  141.808   8.9571  252.729   31.556  256.521   44.537  248.907   44.717  142.414   12.655  140.230   12.915 2.184067 18.08152 
1 1 1    8  -14    4 f  450.877   14.833  2558.14  167.004  2602.06  236.154  2514.19  236.206  453.009   20.876  445.172   21.248 7.836578 29.78682 
1 1 1    8  -14    5 o  316.025   11.490  1253.51   90.676  1254.47  128.010  1252.55  128.462  314.902   16.335  314.641   16.406 0.2606506 23.15158 
1 1 1    8  -14    6 o  227.057   13.127  650.726   74.114  514.752  103.092  796.176  106.624  200.086   20.943  250.329   17.160 -50.24327 27.07562 
1 1 1    8  -14    7 o  192.096   9.0804  462.610   43.559  449.006   60.662  477.090   62.586  188.419   12.972  194.248   12.977 -5.828552 18.34840 
1 1 1    8  -14    8 o  457.771   15.093  2648.92  172.539  2590.54  243.364  2707.93  244.656  449.786   21.667  460.059   21.296 -10.27328 30.38035 
1 1 1    8  -14    9 o  265.722   10.271  887.148   68.157  814.093   95.143  964.157   97.684  253.195   15.117  275.872   14.228 -22.67772 20.75940 
1 1 1    8  -14   10 o  156.486   9.0250  308.357   35.118  297.047   47.744  321.689   51.835  152.958   12.612  159.103   13.165 -6.144241 18.23118 
1 1 1    8  -14   11 o  208.175   9.7705  544.619   50.792  567.936   70.131  518.896   73.660  211.591   13.341  201.862   14.714 9.728180 19.86163 
1 1 1    8  -14   12 o  192.556   13.504  471.217   64.521  392.896   90.216  553.222   92.314  173.425   21.278  207.367   18.006 -33.94135 27.87397 
1 1 1    8  -14   13 o  496.380   16.547  3139.84  205.113  3231.29  288.918  3046.92  291.244  498.718   23.199  483.519   24.121 15.19901 33.46652 
1 1 1    8  -14   14 o  206.714   9.5089  537.318   49.085  520.565   65.976  558.088   73.460  202.415   13.123  209.328   14.136 -6.912308 19.28840 
1 1 1    8  -14   15 o  477.938   16.124  2912.50  192.444  2912.77  270.216  2912.22  274.141  473.019   22.876  472.677   23.225 0.3418274 32.59944 
1 1 1    8  -14   16 o   94.662   10.912  114.465   25.322   94.919   29.964  163.293   47.359   85.288   14.594  111.663   17.564 -26.37556 22.83576 
1 1 1    8  -14   17 o  171.365   15.534  377.408   65.751  426.583   79.539  271.284  116.845  181.502   17.777  137.899   34.118 43.60315 38.47147 
1 1 1    8  -14   18 o  363.994   12.992  1680.71  118.093  1624.57  161.879  1744.59  172.658  354.679   18.340  367.208   18.893 -12.52911 26.33034 
1 1 1    8  -14   19 o  155.117   10.277  304.928   39.582  292.402   48.477  329.983   68.560  151.221   12.962  159.236   17.532 -8.014633 21.80366 
1 1 1    8  -14   20 o  156.601   10.757  311.554   41.813  326.724   51.010  280.484   73.001  159.799   12.893  145.203   20.720 14.59656 24.40391 
1 1 1    8  -14   21 o  185.204   10.808  436.000   49.770  432.672   61.545  442.289   84.603  183.582   13.520  183.363   18.740 0.2196503 23.10809 
1 1 1    8  -14   22 o  250.315   15.975  814.702   99.335  973.902  139.597  651.405  141.382  270.090   20.859  216.151   26.765 53.93939 33.93356 
1 1 1    8  -14   23 o  205.130   11.601  539.375   59.181  579.252   73.388  465.220  100.077  211.379   13.982  184.252   22.197 27.12645 26.23399 
1 1 1    8  -14   24 o  206.248   12.015  548.826   61.614  618.598   73.517  384.159  112.940  218.055   13.568  160.254   29.302 57.80066 32.29096 
1 1 1    8  -14   25 o  302.425   13.819  1196.38  104.361  1311.81  126.692  952.716  184.067  313.653   16.231  248.660   30.267 64.99254 34.34435 
1 1 1    8  -14   26 o  224.049   21.475  715.793  118.678  715.793  118.678   0.0000   0.0000  224.049   21.475  ?   ?  0.000000 21.47476 
1 1 1    8  -14   27 o   70.368   15.446   69.018   26.398   69.602   29.802   66.892   56.875   69.950   17.185   68.200   25.218 1.750069 30.51679 
1 1 1    8  -14   28 o   56.109   16.804   44.602   25.391   55.926   28.470   0.5814   56.134   62.283   17.552   49.864   22.232 12.41916 28.32558 
1 1 1    8  -14   29 o   58.088   17.347   48.842   27.088   52.646   30.467   34.489   59.183   59.949   18.501   57.677   24.240 2.271744 30.49341 
1 1 1    8  -14   30 o  119.420   19.070  212.000   54.957  297.741   79.714  134.327   75.870  135.316   24.492   84.132   29.365 51.18446 38.23793 
1 1 1    8  -14   31 o   72.403   23.759   90.138   49.623  116.266   72.066   66.580   68.430   77.116   28.411   64.099   26.430 13.01690 38.80312 
1 1 1    8  -13    0 o  195.133   11.250  478.226   54.586  503.328   67.348  430.160   93.194  199.946   13.569  183.682   20.677 16.26450 24.73160 
1 1 1    8  -13    1 o  183.210   13.359  422.963   60.699  501.152   86.951  348.641   84.773  198.888   17.692  165.000   21.054 33.88733 27.50053 
1 1 1    8  -13    2 o  428.454   14.390  2303.46  153.962  2297.71  217.912  2309.19  217.558  426.847   20.444  427.929   20.359 -1.082336 28.85181 
1 1 1    8  -13    3 o  416.392   13.789  2175.66  143.376  2215.87  202.916  2135.56  202.613  419.208   19.384  411.470   19.719 7.737549 27.65062 
1 1 1    8  -13    4 o  157.573   8.6832  311.633   34.036  336.734   48.242  286.757   48.026  163.459   11.900  150.640   12.891 12.81889 17.54412 
1 1 1    8  -13    5 o  334.439   11.933  1402.95   99.658  1379.64  140.782  1426.36  141.094  330.421   17.121  336.465   16.793 -6.044250 23.98144 
1 1 1    8  -13    6 o  350.977   12.225  1546.35  107.151  1545.24  151.291  1547.47  151.779  349.911   17.314  350.154   17.358 -0.2432861 24.51706 
1 1 1    8  -13    7 o  229.880   9.5595  662.256   54.876  614.514   76.807  712.039   78.432  220.537   14.019  237.595   13.272 -17.05788 19.30536 
1 1 1    8  -13    8 o  205.040   13.425  531.437   68.358  559.575   95.178  501.459   98.239  209.324   18.395  197.608   20.192 11.71561 27.31437 
1 1 1    8  -13    9 o  266.586   10.390  892.224   69.170  852.683   96.854  933.387   98.819  259.424   15.015  271.559   14.626 -12.13486 20.96102 
1 1 1    8  -13   10 f  294.640   11.017  1091.34   81.057  1073.65  113.673  1109.65  115.615  290.818   15.711  295.665   15.715 -4.846954 22.22178 
1 1 1    8  -13   11 o  457.165   14.982  2645.47  171.044  2601.32  241.088  2690.21  242.704  450.140   21.448  457.895   21.226 -7.755402 30.17490 
1 1 1    8  -13   12 o  152.391   8.7955  292.388   33.329  271.431   44.351  319.578   50.517  146.224   12.259  158.621   12.864 -12.39757 17.77004 
1 1 1    8  -13   13 o  378.526   13.284  1810.90  125.566  1809.98  176.200  1811.86  178.986  376.176   18.757  375.742   19.139 0.4343872 26.79788 
1 1 1    8  -13   14 o  316.027   16.875  1276.24  132.690  1227.00  186.620  1326.59  188.701  305.933   24.636  318.615   23.891 -12.68225 34.31792 
1 1 1    8  -13   15 o  320.809   11.746  1298.53   94.101  1258.92  130.720  1341.14  135.569  313.783   16.743  323.858   16.821 -10.07571 23.73353 
1 1 1    8  -13   16 f  414.483   20.946  2224.42  216.099   0.0000   0.0000  2224.42  216.099  ?   ?   414.483   20.946 0.000000 20.94620 
1 1 1    8  -13   17 o  208.137   13.029  550.508   67.377  550.508   67.377   0.0000   0.0000  208.137   13.029  ?   ?  0.000000 13.02876 
1 1 1    8  -13   18 o  262.406   11.211  869.086   73.464  886.675   99.121  847.649  109.430  263.482   15.128  256.774   17.165 6.707733 22.88025 
1 1 1    8  -13   19 o  140.456   15.968  255.064   55.013  292.702   62.449  124.657  116.243  150.273   16.937   99.410   36.164 50.86343 39.93375 
1 1 1    8  -13   20 o  206.421   10.175  537.422   52.449  522.373   66.705  561.793   84.886  202.389   13.272  208.786   16.413 -6.396454 21.10796 
1 1 1    8  -13   21 o  219.634   10.742  609.791   58.916  580.951   74.892  656.619   95.430  212.978   14.162  225.220   17.095 -12.24203 22.19968 
1 1 1    8  -13   22 o  144.274   10.844  265.035   38.782  274.190   46.426  243.897   70.545  146.197   12.847  134.531   21.740 11.66695 25.25248 
1 1 1    8  -13   23 o  176.805   14.185  403.840   62.103  457.054   90.633  356.742   85.265  185.285   19.900  162.621   21.525 22.66382 29.31474 
1 1 1    8  -13   24 o  157.348   11.394  317.476   44.468  341.046   52.776  259.782   82.569  162.430   13.123  135.462   25.340 26.96782 28.53696 
1 1 1    8  -13   25 o  333.783   14.846  1453.21  123.741  1596.64  150.890  1158.64  216.233  346.654   17.487  276.734   31.873 69.91971 36.35454 
1 1 1    8  -13   26 o  154.721   11.561  310.110   44.344  325.361   52.461  271.947   82.990  157.501   13.468  136.021   25.366 21.48006 28.71932 
1 1 1    8  -13   27 f   85.662   14.415   99.229   29.742  119.731   33.784   28.619   62.699   94.051   14.880   59.678   25.008 34.37331 29.10021 
1 1 1    8  -13   28 o  185.882   12.099  453.968   55.857  481.662   66.451  387.289  103.112  189.810   14.121  156.989   27.293 32.82117 30.72919 
1 1 1    8  -13   29 o  103.765   13.762  145.837   34.781  174.708   40.481   64.427   67.976  113.124   14.676   67.927   26.928 45.19673 30.66724 
1 1 1    8  -13   30 o   60.027   17.217   52.150   27.148   71.258   30.837 -13.6892   57.241   69.859   17.666   47.141   21.586 22.71843 27.89293 
1 1 1    8  -13   31 o   67.094   22.663   71.432   45.086  146.020   66.564   8.2031   61.286   90.804   27.210   51.759   23.142 39.04531 35.72063 
1 1 1    8  -13   32 o   80.687   23.197  109.624   49.230  119.052   72.457  101.540   67.095   78.258   28.539   73.869   27.375 4.388229 39.54615 
1 1 1    8  -12    0 o  295.174   10.962  1090.15   80.800  1106.40  114.546  1074.06  113.993  296.655   15.516  292.253   15.677 4.401306 22.05720 
1 1 1    8  -12    1 o  544.729   17.320  3725.45  235.605  3827.25  333.541  3624.07  332.853  550.667   24.255  535.700   24.882 14.96643 34.74804 
1 1 1    8  -12    2 o  418.288   14.063  2193.16  146.898  2312.19  208.204  2075.17  207.290  428.726   19.447  405.478   20.539 23.24826 28.28512 
1 1 1    8  -12    3 o  317.919   16.676  1272.98  131.926  1287.87  186.944  1258.21  186.200  318.393   23.682  314.640   23.876 3.752869 33.62889 
1 1 1    8  -12    4 o  226.028   9.5172  639.262   53.718  700.657   76.313  578.963   75.629  236.060   12.996  214.357   14.209 21.70316 19.25599 
1 1 1    8  -12    5 o  438.133   14.545  2410.16  159.134  2414.95  225.003  2405.38  225.096  437.349   20.602  436.470   20.652 0.8792419 29.17106 
1 1 1    8  -12    6 o  275.748   10.405  952.415   71.647  872.978  100.951  1033.04  101.700  263.053   15.436  286.789   14.201 -23.73502 20.97422 
1 1 1    8  -12    7 o  202.548   9.1488  513.662   46.274  488.392   64.952  539.709   65.943  196.760   13.297  206.953   12.823 -10.19392 18.47288 
1 1 1    8  -12    8 f  287.662   10.927  1037.81   78.490  1031.82  110.596  1043.89  111.412  285.768   15.557  287.434   15.580 -1.665924 22.01694 
1 1 1    8  -12    9 o  383.856   18.050  1865.13  173.024  1619.92  243.015  2117.24  246.407  353.491   27.753  406.016   24.416 -52.52441 36.96466 
1 1 1    8  -12   10 o  323.731   15.742  1324.05  127.258  1116.57  177.701  1542.48  182.330  293.952   24.429  347.191   21.131 -53.23901 32.30011 
1 1 1    8  -12   11 o  340.742   12.056  1460.93  102.585  1438.84  144.225  1483.54  145.945  336.391   17.227  342.043   17.087 -5.652100 24.26353 
1 1 1    8  -12   12 o  144.059   9.4087  261.560   33.661  280.012   45.678  239.630   49.797  148.577   12.425  136.891   14.803 11.68654 19.32656 
1 1 1    8  -12   13 o  212.816   9.6339  568.818   51.198  524.656   70.147  619.164   74.898  203.291   13.901  220.983   13.639 -17.69212 19.47484 
1 1 1    8  -12   14 o   66.526   12.123   57.499   19.398   71.008   23.519   28.759   34.305   73.899   13.231   53.029   19.590 20.86923 23.63931 
1 1 1    8  -12   15 o  242.195   14.682  746.147   88.377  706.605  123.842  787.182  126.158  233.219   21.507  246.604   20.677 -13.38504 29.83421 
1 1 1    8  -12   16 o  398.074   13.132  2003.79  130.543  1873.95  181.321  2143.52  188.097  382.342   18.991  409.242   18.406 -26.90024 26.44663 
1 1 1    8  -12   17 o  307.604   11.121  1192.66   85.427  1116.93  117.187  1278.54  124.797  295.817   15.922  316.983   15.766 -21.16580 22.40720 
1 1 1    8  -12   18 o  113.757   10.781  164.497   30.261  176.152   37.145  141.499   52.179  117.322   12.891  102.929   21.012 14.39381 24.65098 
1 1 1    8  -12   19 o  124.652   9.4606  196.565   29.229  134.532   34.900  342.294   53.492  102.047   14.070  163.875   13.183 -61.82852 19.28079 
1 1 1    8  -12   20 o  298.897   15.989  1143.87  118.909  988.298  152.270  1387.01  190.363  274.485   22.410  324.585   23.648 -50.09961 32.58020 
1 1 1    8  -12   21 o  296.396   11.874  1111.60   87.887  1124.55  117.489  1095.15  132.430  296.151   15.945  291.033   18.315 5.117279 24.28395 
1 1 1    8  -12   22 o  303.548   11.833  1167.29   89.696  1140.29  119.143  1202.62  136.276  297.808   16.080  304.768   17.986 -6.959900 24.12595 
1 1 1    8  -12   23 o  227.045   10.846  652.601   61.494  620.733   78.084  704.643   99.783  219.893   14.298  232.909   17.279 -13.01616 22.42764 
1 1 1    8  -12   24 o  121.942   11.536  190.675   34.712  209.293   41.453  146.984   63.502  127.297   13.234  102.255   25.063 25.04239 28.34245 
1 1 1    8  -12   25 o  224.965   15.267  658.910   85.257  733.852  120.489  583.763  120.654  233.418   20.892  205.708   23.935 27.71014 31.77051 
1 1 1    8  -12   26 o  173.238   11.364  385.808   48.889  417.976   58.442  310.824   89.227  179.496   13.129  147.497   25.126 31.99902 28.34910 
1 1 1    8  -12   27 o   43.972   15.407   23.283   20.897   16.194   22.963   57.444   50.407   41.151   15.842   66.193   23.855 -25.04254 28.63643 
1 1 1    8  -12   28 o  182.927   11.717  435.476   53.243  465.253   63.811  367.240   96.597  187.720   13.707  156.741   25.560 30.97897 29.00353 
1 1 1    8  -12   29 o   67.026   20.093   65.114   36.291   65.114   36.291   0.0000   0.0000   67.026   20.093  ?   ?  0.000000 20.09305 
1 1 1    8  -12   30 o  181.994   12.213  437.622   55.184  513.668   66.816  274.437   97.878  195.816   13.751  125.552   31.322 70.26401 34.20739 
1 1 1    8  -12   31 o  133.759   12.443  239.135   41.085  249.094   48.305  213.088   78.120  134.939   14.566  112.124   27.988 22.81535 31.55170 
1 1 1    8  -12   32 o   98.475   21.198  149.662   50.585  151.712   73.160  147.783   70.019   91.048   28.759   90.652   28.058 0.3961716 40.17921 
1 1 1    8  -12   33 o   95.282   22.154  146.747   51.713  148.101   74.511  145.488   71.829   86.951   29.135   86.926   28.587 0.2510071E-01 40.81781 
1 1 1    8  -11    0 o  948.308   28.884 11374.08  684.009 11331.83  967.411 11416.30  967.259  940.339   41.198  943.933   41.035 -3.594116 58.14736 
1 1 1    8  -11    1 o  430.573   14.004  2322.15  150.579  2457.03  213.294  2188.13  212.608  442.271   19.313  417.223   20.406 25.04846 28.09599 
1 1 1    8  -11    2 o  272.981   10.425  932.155   71.064  1010.63  101.004  855.227  100.002  283.651   14.306  260.736   15.427 22.91464 21.03937 
1 1 1    8  -11    3 o  181.714   9.0456  412.899   41.047  434.257   58.602  392.329   57.511  185.790   12.707  176.501   13.142 9.289185 18.28117 
1 1 1    8  -11    4 o  146.089   8.8414  267.859   32.102  283.897   46.202  252.889   44.638  150.049   12.443  141.519   12.769 8.530533 17.82851 
1 1 1    8  -11    5 o  372.932   18.403  1749.32  171.379  1668.34  242.081  1830.68  242.653  361.723   26.994  379.340   25.769 -17.61725 37.31913 
1 1 1    8  -11    6 o  259.101   10.265  840.362   66.418  859.516   93.865  821.156   93.994  261.319   14.440  255.350   14.804 5.968658 20.68035 
1 1 1    8  -11    7 o  313.333   11.187  1230.01   87.532  1190.16  123.504  1270.22  124.075  307.236   16.154  317.901   15.629 -10.66461 22.47748 
1 1 1    8  -11    8 o  294.668   10.908  1088.10   80.267  1009.15  112.980  1168.57  114.057  282.730   16.069  304.879   14.981 -22.14886 21.96890 
1 1 1    8  -11    9 f  348.011   12.107  1519.90  105.216  1430.38  148.206  1610.86  149.395  336.183   17.716  357.447   16.737 -21.26443 24.37201 
1 1 1    8  -11   10 o  195.227   8.8987  477.379   43.383  453.778   60.230  502.826   62.540  189.600   12.796  199.658   12.608 -10.05780 17.96406 
1 1 1    8  -11   11 o  156.470   12.339  309.667   47.821  302.233   64.658  318.642   71.050  153.651   17.144  157.527   18.409 -3.876709 25.15545 
1 1 1    8  -11   12 o  253.743   10.176  808.148   64.482  782.384   90.029  835.287   92.400  248.571   14.567  256.889   14.463 -8.317947 20.52742 
1 1 1    8  -11   13 o  264.262   10.264  877.122   67.730  861.425   94.315  893.838   97.326  260.721   14.544  265.544   14.735 -4.823090 20.70394 
1 1 1    8  -11   14 o  109.215   9.2968  150.786   25.114  143.873   32.410  161.175   39.731  106.134   12.466  111.991   14.551 -5.857674 19.16027 
1 1 1    8  -11   15 o  388.146   19.546  1932.38  188.844   0.0000   0.0000  1932.38  188.844  ?   ?   388.146   19.546 0.000000 19.54565 
1 1 1    8  -11   16 o  206.139   13.683  539.659   70.037  539.659   70.037   0.0000   0.0000  206.139   13.683  ?   ?  0.000000 13.68336 
1 1 1    8  -11   17 o  299.447   16.362  1144.37  121.891  1124.19  171.325  1165.04  173.455  293.411   23.582  298.804   23.434 -5.392731 33.24543 
1 1 1    8  -11   18 o  103.863   10.387  137.100   26.580  145.777   32.496  119.561   46.202  106.742   12.424   94.737   20.149 12.00470 23.67130 
1 1 1    8  -11   19 o  235.528   10.105  698.146   59.433  699.179   79.463  696.834   89.539  234.568   13.625  233.600   15.436 0.9685059 20.58896 
1 1 1    8  -11   20 o  168.211   9.9673  357.375   41.681  330.641   53.179  399.958   67.117  161.034   13.345  176.651   15.368 -15.61693 20.35320 
1 1 1    8  -11   21 o  274.467   11.282  950.962   77.329  928.252  103.655  979.465  116.122  269.466   15.469  276.198   16.918 -6.732941 22.92373 
1 1 1    8  -11   22 o   53.665   16.610   36.867   24.537   33.139   25.049  125.256  121.974   51.676   16.876  100.219   36.956 -48.54356 40.62669 
1 1 1    8  -11   23 o  305.106   11.763  1178.68   89.624  1152.65  118.897  1212.94  136.391  299.588   15.950  306.244   17.913 -6.655731 23.98490 
1 1 1    8  -11   24 o   94.281   12.299  114.723   28.267  122.123   33.021   94.433   54.679   96.861   14.063   83.168   24.603 13.69273 28.33839 
1 1 1    8  -11   25 o  134.425   11.548  231.303   38.390  231.097   45.040  231.851   73.407  133.712   13.682  129.885   23.497 3.826401 27.19022 
1 1 1    8  -11   26 o  312.657   17.528  1284.87  136.298  1481.69  193.153  1089.66  192.358  329.216   23.652  277.181   28.182 52.03516 36.79247 
1 1 1    8  -11   27 o   67.544   15.279   61.716   25.168   78.768   28.678   4.5660   52.502   76.405   15.559   51.798   22.330 24.60772 27.21626 
1 1 1    8  -11   28 o  202.339   11.858  529.590   59.652  584.761   72.073  409.607  106.287  211.421   13.726  167.001   26.361 44.42073 29.72053 
1 1 1    8  -11   29 o  187.139   11.718  455.427   54.485  503.654   65.577  347.921   97.910  195.570   13.510  151.405   26.881 44.16487 30.08503 
1 1 1    8  -11   30 o  112.055   16.656  173.239   45.190  263.686   56.887   18.553   74.395  138.505   16.791   60.089   26.236 78.41560 31.14918 
1 1 1    8  -11   31 o   88.559   15.327  108.372   32.668  122.407   37.122   60.179   68.789   93.566   16.490   67.314   26.956 26.25154 31.59964 
1 1 1    8  -11   32 o  140.616   12.615  264.316   43.825  293.292   51.473  187.959   83.557  146.907   14.208  102.208   30.454 44.69868 33.60579 
1 1 1    8  -11   33 o  121.501   13.596  201.753   40.543  262.648   47.356   34.600   78.459  138.530   13.876   60.898   26.757 77.63191 30.14092 
1 1 1    8  -11   34 o   67.607   23.778   76.186   49.792  112.903   69.847   38.246   71.001   77.361   28.050   58.821   25.658 18.54031 38.01489 
1 1 1    8  -10    0 o  322.093   11.852  1297.95   95.330  1274.97  135.030  1320.80  134.604  318.436   17.043  324.169   16.684 -5.733398 23.84994 
1 1 1    8  -10    1 o  476.539   15.631  2845.66  186.004  2852.73  263.193  2838.60  262.907  476.270   22.129  475.084   22.161 1.185822 31.31772 
1 1 1    8  -10    2 o  143.376   8.7130  257.915   31.048  288.483   44.265  228.313   43.560  151.384   11.803  134.409   13.146 16.97504 17.66715 
1 1 1    8  -10    3 o  148.496   8.7212  276.613   32.198  273.032   46.302  279.966   44.805  147.139   12.727  149.074   12.141 -1.935638 17.58926 
1 1 1    8  -10    4 f  137.243   8.7130  236.430   29.707  254.818   42.615  219.048   41.432  142.167   12.119  131.657   12.762 10.51019 17.60003 
1 1 1    8  -10    5 o  320.091   11.745  1282.52   93.878  1280.06  132.863  1284.96  132.663  318.938   16.741  319.558   16.682 -0.6206665 23.63361 
1 1 1    8  -10    6 o  467.474   17.795  2745.95  207.733  2682.34  359.874  2777.73  254.395  457.876   31.669  469.449   21.701 -11.57327 38.39026 
1 1 1    8  -10    7 o  656.094   29.258  5478.44  479.360  5174.19  677.211  5783.96  678.627  629.232   43.363  667.011   40.940 -37.77936 59.63628 
1 1 1    8  -10    8 o  413.966   13.696  2149.87  141.579  2069.14  199.939  2231.07  200.508  405.082   19.765  420.774   19.082 -15.69238 27.47367 
1 1 1    8  -10    9 o  165.569   8.8801  344.034   36.582  325.897   51.197  362.954   52.289  160.668   12.868  169.671   12.427 -9.002960 17.88955 
1 1 1    8  -10   10 o  306.054   10.909  1174.11   83.374  1078.20  117.206  1272.35  118.623  292.181   16.126  318.061   14.935 -25.87915 21.97980 
1 1 1    8  -10   11 o  422.030   13.568  2239.25  142.991  2099.43  201.489  2381.11  202.960  407.058   19.822  433.844   18.734 -26.78537 27.27381 
1 1 1    8  -10   12 o  288.243   10.430  1042.24   75.077  978.991  105.161  1107.99  107.221  278.232   15.193  296.556   14.478 -18.32462 20.98689 
1 1 1    8  -10   13 o  305.499   16.117  1183.23  122.517  1159.37  171.136  1208.31  175.475  300.052   23.015  306.315   23.110 -6.263092 32.61581 
1 1 1    8  -10   14 o  279.784   10.596  983.365   74.028  890.276  103.141  1082.27  106.314  264.815   15.667  292.732   14.544 -27.91656 21.37655 
1 1 1    8  -10   15 o  404.888   13.564  2069.26  137.141  2056.16  192.432  2082.77  195.498  401.433   19.196  403.939   19.381 -2.505737 27.27844 
1 1 1    8  -10   16 o  126.033   9.7638  200.705   30.490  216.591   39.893  178.391   47.280  130.503   12.390  117.414   16.587 13.08910 20.70346 
1 1 1    8  -10   17 o  129.609   8.9144  211.842   28.677  188.714   36.290  250.293   46.793  121.762   12.095  140.097   13.544 -18.33488 18.15870 
1 1 1    8  -10   18 o  225.992   10.603  642.722   59.839  667.232   81.549  614.128   88.080  229.093   14.327  219.199   16.206 9.894684 21.63069 
1 1 1    8  -10   19 o  129.243   13.437  213.497   42.733  208.406   59.148  219.055   61.808  126.131   19.400  129.264   19.776 -3.133247 27.70333 
1 1 1    8  -10   20 o  157.596   10.067  313.737   39.411  330.259   50.672  288.438   62.702  161.170   12.693  149.428   17.112 11.74243 21.30575 
1 1 1    8  -10   21 o  534.424   16.928  3647.62  225.910  3429.69  316.014  3875.39  323.074  511.770   24.728  545.002   23.738 -33.23218 34.27780 
1 1 1    8  -10   22 o  129.101   9.9342  211.048   31.781  200.733   38.576  232.842   56.071  125.374   12.487  133.892   17.165 -8.517937 21.22693 
1 1 1    8  -10   23 o  387.762   19.124  1939.55  185.177  1756.49  244.705  2184.85  283.266  362.267   27.249  403.151   28.317 -40.88354 39.29827 
1 1 1    8  -10   24 o   99.881   11.902  128.027   29.102  130.578   33.980  121.005   56.373  100.398   13.929   94.030   23.944 6.367485 27.70061 
1 1 1    8  -10   25 o  355.855   14.605  1619.48  129.783  1625.69  158.206  1606.72  226.942  353.997   17.956  344.354   26.597 9.642670 32.09077 
1 1 1    8  -10   26 o  294.779   13.144  1110.14   96.755  1160.53  117.605  1004.58  170.207  299.530   15.779  271.235   25.426 28.29523 29.92409 
1 1 1    8  -10   27 o  270.225   12.691  935.360   85.639  914.703  103.770  979.475  151.649  265.015   15.751  268.312   22.851 -3.297028 27.75368 
1 1 1    8  -10   28 o  136.691   15.320  246.434   51.394  261.880   72.456  230.794   72.912  137.401   21.849  127.714   23.735 9.687302 32.26027 
1 1 1    8  -10   29 o  188.577   11.528  459.231   54.028  500.248   64.942  367.027   97.370  195.750   13.365  158.862   25.400 36.88857 28.70197 
1 1 1    8  -10   30 f   52.446   16.489   37.031   24.074   46.087   26.794  -0.9013   54.838   57.811   17.250   50.481   22.268 7.330074 28.16777 
1 1 1    8  -10   31 o   96.985   13.961  126.648   32.838  129.471   37.423  117.197   68.464   97.026   16.003   85.540   27.899 11.48597 32.16310 
1 1 1    8  -10   32 o   45.655   18.128   20.001   30.854   20.001   30.854   0.0000   0.0000   45.655   18.128  ?   ?  0.000000 18.12802 
1 1 1    8  -10   33 o  106.443   14.175  154.696   36.742  152.405   41.426  163.145   79.541  104.150   16.476   95.662   29.954 8.487656 34.18672 
1 1 1    8  -10   34 o   49.637   17.973   32.694   28.661   32.833   31.464   32.020   69.476   50.305   18.726   58.810   25.519 -8.505241 31.65273 
1 1 1    8  -10   35 o   49.266   21.255   18.037   47.642   10.820   64.833   26.509   70.243   52.425   23.593   56.514   25.051 -4.089123 34.41225 
1 1 1    8   -9    0 o  621.159   27.732  4868.60  430.161  4808.81  608.364  4928.37  608.315  612.665   39.983  620.465   39.466 -7.800049 56.18023 
1 1 1    8   -9    1 o  212.585   11.232  566.836   59.415  538.920   73.413  619.836  101.155  206.971   14.292  221.524   18.454 -14.55286 23.34085 
1 1 1    8   -9    2 o  268.630   10.701  902.479   71.782  856.548  101.662  948.146  101.369  260.996   15.671  274.739   14.830 -13.74304 21.57551 
1 1 1    8   -9    3 f  438.279   14.627  2405.94  160.082  2270.10  226.358  2541.84  226.423  424.437   21.426  449.855   20.156 -25.41837 29.41625 
1 1 1    8   -9    4 o  795.863   24.519  7981.23  487.290  8084.85  689.365  7877.75  688.900  797.414   34.619  786.954   35.056 10.45941 49.26832 
1 1 1    8   -9    5 o  390.925   13.356  1913.61  130.387  1932.50  184.579  1894.80  184.214  392.293   18.842  388.431   18.991 3.862640 26.75225 
1 1 1    8   -9    6 o  411.417   13.799  2120.37  141.766  2091.26  200.564  2149.43  200.410  407.890   19.691  413.564   19.406 -5.673706 27.64589 
1 1 1    8   -9    7 o  575.554   18.113  4161.78  260.337  3998.85  367.941  4325.12  368.405  562.283   26.204  585.049   25.216 -22.76581 36.36659 
1 1 1    8   -9    8 o  217.260   13.526  593.905   73.017  456.365  102.114  737.813  104.451  188.969   22.054  241.697   17.423 -52.72787 28.10569 
1 1 1    8   -9    9 o  516.036   23.737  3369.82  305.887  3535.05  432.809  3204.92  432.371  524.230   33.233  498.271   34.970 25.95877 48.24301 
1 1 1    8   -9   10 o  119.064   8.7123  178.313   25.724  157.579   35.323  201.725   37.536  111.347   12.945  126.290   12.048 -14.94300 17.68454 
1 1 1    8   -9   11 o  281.637   10.517  993.802   73.965  904.456  103.865  1085.73  105.355  267.680   15.606  293.938   14.353 -26.25787 21.20277 
1 1 1    8   -9   12 o  149.833   8.4447  281.914   31.468  239.362   43.011  330.927   46.161  137.489   12.670  162.016   11.484 -24.52718 17.09991 
1 1 1    8   -9   13 o  322.944   10.979  1308.70   88.544  1175.57  124.040  1447.03  126.436  304.731   16.360  338.866   14.941 -34.13458 22.15620 
1 1 1    8   -9   14 o  116.361   14.163  173.101   40.304   0.0000   0.0000  173.101   40.304  ?   ?   116.361   14.163 0.000000 14.16254 
1 1 1    8   -9   15 o  120.566   16.271  187.214   47.737  187.214   47.737   0.0000   0.0000  120.566   16.271  ?   ?  0.000000 16.27122 
1 1 1    8   -9   16 o  327.586   11.970  1351.03   97.919  1304.65  136.875  1399.64  140.139  320.082   17.187  331.637   16.979 -11.55518 24.15933 
1 1 1    8   -9   17 o  283.840   11.216  1013.77   79.497  1024.20  110.696  1002.67  114.238  283.838   15.678  280.603   16.374 3.235382 22.66976 
1 1 1    8   -9   18 o  263.868   10.940  876.168   72.087  892.075   99.521  858.611  104.560  264.910   15.107  259.527   16.215 5.382324 22.16148 
1 1 1    8   -9   19 o  158.865   9.6633  318.292   38.154  327.743   50.175  305.336   58.748  160.662   12.607  154.387   15.446 6.275223 19.93771 
1 1 1    8   -9   20 o  164.490   13.207  344.157   53.792  338.710   74.981  349.935   77.217  161.629   18.936  164.237   19.189 -2.608566 26.95915 
1 1 1    8   -9   21 o  321.704   12.594  1307.46  101.175  1352.35  139.501  1257.64  146.956  325.102   17.245  312.714   18.908 12.38812 25.59079 
1 1 1    8   -9   22 o  230.286   9.7995  667.114   56.354  618.223   73.633  736.241   87.555  220.577   13.432  240.397   14.655 -19.82018 19.87914 
1 1 1    8   -9   23 o  128.957   10.351  210.792   33.052  226.510   40.355  178.758   57.610  133.320   12.259  116.060   20.634 17.26015 24.00056 
1 1 1    8   -9   24 o  155.392   10.166  305.523   39.232  281.405   48.167  353.059   67.622  148.440   13.130  165.377   16.598 -16.93687 21.16351 
1 1 1    8   -9   25 f   98.327   16.448  126.988   38.960  120.101   40.254  228.976  154.904   95.255   17.570  124.976   42.008 -29.72119 45.53419 
1 1 1    8   -9   26 o  149.885   10.945  285.733   40.684  302.527   48.174  243.966   75.972  153.785   12.657  134.033   23.558 19.75160 26.74280 
1 1 1    8   -9   27 o  121.233   11.808  188.591   35.295  207.321   41.440  139.108   67.356  126.726   13.293   99.169   26.634 27.55655 29.76716 
1 1 1    8   -9   28 o  183.124   11.613  429.350   52.833  486.802   63.643  301.986   94.759  194.352   13.191  145.577   27.062 48.77431 30.10615 
1 1 1    8   -9   29 o  184.837   14.796  447.020   67.723  429.944   95.113  464.580   96.452  176.496   22.062  184.050   21.384 -7.554382 30.72489 
1 1 1    8   -9   30 o  123.722   12.183  199.376   37.151  217.362   43.557  151.363   71.165  128.506   13.789   99.743   27.624 28.76316 30.87454 
1 1 1    8   -9   31 o  142.684   12.092  265.952   42.680  294.093   49.697  186.868   83.310  149.311   13.474  107.702   29.910 41.60893 32.80505 
1 1 1    8   -9   32 f  189.238   11.929  468.494   56.086  494.431   66.037  401.358  106.244  192.962   13.796  160.584   27.482 32.37793 30.75060 
1 1 1    8   -9   33 o  157.736   20.000  356.905   77.010  356.905   77.010   0.0000   0.0000  157.736   20.000  ?   ?  0.000000 20.00013 
1 1 1    8   -9   34 o   45.293   17.383   22.876   27.588   27.015   30.042   0.6040   69.693   47.916   18.198   54.072   24.386 -6.155640 30.42765 
1 1 1    8   -9   35 o   55.156   18.649   43.602   30.532   24.392   33.485  138.332   74.357   47.481   18.875   86.888   29.105 -39.40696 34.68965 
1 1 1    8   -9   36 o   76.404   20.310   91.809   39.416   91.809   39.416   0.0000   0.0000   76.404   20.310  ?   ?  0.000000 20.30980 
1 1 1    8   -8    0 o  925.726   28.241 10816.22  652.860 10845.88  923.420 10786.58  923.147  921.972   40.108  919.399   40.208 2.573181 56.79228 
1 1 1    8   -8    1 o  140.834   8.6998  248.850   30.446  251.753   43.501  246.062   42.627  141.302   12.456  139.695   12.347 1.606842 17.53815 
1 1 1    8   -8    2 o  247.058   14.185  766.714   87.148  707.674  123.359  825.537  123.132  236.425   21.117  255.745   19.425 -19.32036 28.69239 
1 1 1    8   -8    3 o  379.187   18.447  1803.76  174.678  1763.29  247.219  1844.10  246.846  373.020   26.717  381.649   26.056 -8.629333 37.31917 
1 1 1    8   -8    4 o  390.500   13.491  1908.92  131.562  1868.56  186.221  1949.13  185.893  385.337   19.415  394.103   18.889 -8.766327 27.08730 
1 1 1    8   -8    5 o  391.819   13.485  1922.00  131.942  1905.81  186.758  1938.14  186.432  389.631   19.194  392.943   18.999 -3.311829 27.00746 
1 1 1    8   -8    6 o  204.241   9.4716  521.564   48.308  563.845   68.650  480.092   67.990  211.828   13.041  195.291   14.035 16.53697 19.15881 
1 1 1    8   -8    7 o  253.757   10.018  805.334   63.484  748.569   89.734  862.217   89.827  243.968   14.799  262.013   13.777 -18.04547 20.21932 
1 1 1    8   -8    8 o  522.857   16.837  3430.80  219.839  3330.32  310.741  3531.50  311.060  513.750   24.221  529.194   23.538 -15.44379 33.77460 
1 1 1    8   -8    9 o  444.246   14.626  2474.76  162.253  2367.03  229.196  2582.99  229.725  433.452   21.175  452.955   20.310 -19.50327 29.34020 
1 1 1    8   -8   10 o  442.509   20.929  2469.42  231.273  2538.00  327.098  2400.86  327.040  445.499   29.570  432.938   30.444 12.56067 42.44079 
1 1 1    8   -8   11 o   79.407   15.291   81.858   29.221  103.796   39.961   56.646   42.839   89.151   18.553   68.001   22.063 21.15016 28.82737 
1 1 1    8   -8   12 o  218.122   9.5022  595.662   51.757  595.707   72.466  595.615   73.949  217.432   13.412  217.374   13.693 0.5793762E-01 19.16698 
1 1 1    8   -8   13 o  350.638   11.690  1542.39  102.361  1363.17  143.966  1725.62  145.569  328.193   17.631  370.169   15.748 -41.97687 23.63972 
1 1 1    8   -8   14 o   67.741   12.575   59.484   20.489   67.769   23.389   32.154   42.480   72.270   13.455   57.913   21.719 14.35706 25.54905 
1 1 1    8   -8   15 o  262.067   10.169  861.603   66.549  838.796   92.734  885.820   95.559  257.555   14.477  264.690   14.512 -7.134949 20.49882 
1 1 1    8   -8   16 o  113.915   13.473  165.758   37.583  194.221   47.249  116.728   62.012  122.970   15.748   93.597   25.732 29.37334 30.16902 
1 1 1    8   -8   17 o  350.661   12.447  1548.82  108.994  1473.12  152.560  1627.74  155.771  339.905   18.038  357.988   17.425 -18.08267 25.07978 
1 1 1    8   -8   18 o  321.589   11.802  1302.22   94.781  1261.16  132.234  1345.59  135.922  314.670   16.890  325.093   16.800 -10.42331 23.82270 
1 1 1    8   -8   19 f  584.991   18.750  4369.38  273.899  4219.73  385.819  4521.42  388.902  567.999   27.201  588.675   26.455 -20.67639 37.94448 
1 1 1    8   -8   20 o  196.257   9.4578  483.819   46.352  469.401   61.718  502.472   70.202  192.394   12.921  198.765   14.238 -6.370529 19.22676 
1 1 1    8   -8   21 o  124.891   9.6776  197.182   29.946  207.586   37.651  179.269   49.405  127.763   11.939  117.404   17.376 10.35978 21.08292 
1 1 1    8   -8   22 o  274.041   15.644  957.330  106.615  974.479  150.108  939.872  151.454  273.715   22.151  268.461   22.808 5.253754 31.79400 
1 1 1    8   -8   23 o  376.652   13.291  1795.31  125.009  1785.44  172.200  1806.30  181.765  373.301   18.472  374.469   19.505 -1.167786 26.86407 
1 1 1    8   -8   24 o  351.891   12.595  1566.04  110.673  1507.58  150.401  1635.09  163.441  342.753   17.632  356.553   18.419 -13.79953 25.49793 
1 1 1    8   -8   25 o  161.315   10.320  329.245   41.355  315.593   51.266  354.679   69.974  157.266   13.175  165.599   17.171 -8.332626 21.64316 
1 1 1    8   -8   26 o  280.821   22.469  1038.61  156.249  1038.61  156.249   0.0000   0.0000  280.821   22.469  ?   ?  0.000000 22.46923 
1 1 1    8   -8   27 o  170.708   11.420  370.755   48.402  388.822   57.551  327.094   89.467  174.260   13.326  155.551   23.789 18.70895 27.26698 
1 1 1    8   -8   28 o   62.611   15.369   52.432   23.852   56.067   26.953   39.309   51.216   64.619   16.611   62.022   23.712 2.596821 28.95181 
1 1 1    8   -8   29 o   73.195   14.400   71.316   25.383   67.451   28.952   84.158   52.770   70.597   16.687   78.031   24.392 -7.433525 29.55395 
1 1 1    8   -8   30 o  294.937   13.601  1125.06  100.171  1227.80  121.830  910.649  175.995  305.722   16.014  249.967   28.716 55.75516 32.87939 
1 1 1    8   -8   31 o  144.923   15.877  280.259   56.519  350.267   77.963  202.713   82.053  159.326   20.039  114.907   28.685 44.41904 34.99067 
1 1 1    8   -8   32 f  115.895   12.603  176.706   35.887  166.491   40.960  210.451   74.449  111.238   15.139  117.854   25.995 -6.616409 30.08178 
1 1 1    8   -8   33 o  130.344   12.794  224.617   41.106  242.762   47.441  169.952   82.341  134.623   14.332  100.873   30.272 33.75018 33.49325 
1 1 1    8   -8   34 o  109.799   14.232  163.090   38.104  193.051   43.443   63.175   79.334  119.138   14.930   69.794   28.580 49.34399 32.24448 
1 1 1    8   -8   36 o  156.270   14.970  337.930   57.704  337.930   57.704   0.0000   0.0000  156.270   14.970  ?   ?  0.000000 14.97020 
1 1 1    8   -7    0 o  665.566   20.695  5563.71  343.952  5466.43  486.369  5661.03  486.474  657.699   29.613  669.441   29.100 -11.74188 41.51833 
1 1 1    8   -7    1 o  312.487   11.474  1221.43   89.539  1214.73  126.787  1228.09  126.467  310.912   16.388  312.637   16.255 -1.725006 23.08221 
1 1 1    8   -7    2 o  135.151   8.4692  229.185   28.439  233.276   40.520  225.212   39.924  136.021   12.054  133.626   12.095 2.394775 17.07642 
1 1 1    8   -7    3 o  286.313   10.839  1025.16   77.497  1017.48  109.762  1032.81  109.435  284.582   15.504  286.743   15.339 -2.161407 21.80917 
1 1 1    8   -7    4 o  240.232   13.949  724.919   83.322  718.051  118.198  731.704  117.475  238.326   20.047  240.646   19.722 -2.319870 28.12154 
1 1 1    8   -7    5 f  256.435   14.477  826.061   92.326  755.341  130.775  896.336  130.364  244.219   21.669  266.492   19.730 -22.27310 29.30507 
1 1 1    8   -7    6 o  208.221   9.5399  542.047   49.604  528.521   70.414  555.372   69.891  204.997   13.836  210.210   13.384 -5.213074 19.24996 
1 1 1    8   -7    7 o  231.452   10.001  669.872   57.806  630.403   81.951  708.955   81.550  223.852   14.743  237.548   13.807 -13.69633 20.19866 
1 1 1    8   -7    8 o  450.350   14.935  2541.34  167.957  2446.60  237.497  2636.12  237.556  441.029   21.565  457.913   20.775 -16.88437 29.94353 
1 1 1    8   -7    9 o  132.410   8.5584  220.099   28.147  246.374   39.739  193.646   39.873  139.844   11.481  123.663   13.112 16.18066 17.42805 
1 1 1    8   -7   10 o  400.855   13.487  2013.36  135.005  1965.29  190.747  2061.61  191.105  395.311   19.323  404.946   18.898 -9.634735 27.02801 
1 1 1    8   -7   11 o  215.759   9.0648  582.300   48.840  497.121   68.345  671.196   69.820  198.636   13.865  231.162   12.138 -32.52597 18.42742 
1 1 1    8   -7   12 o  222.051   13.839  620.991   76.355  609.493  107.187  632.836  108.795  218.983   19.816  223.188   19.723 -4.204453 27.95847 
1 1 1    8   -7   13 o  322.295   16.754  1311.07  134.380   0.0000   0.0000  1311.07  134.380  ?   ?   322.295   16.754 0.000000 16.75444 
1 1 1    8   -7   14 o   53.273   14.071   36.949   18.997   36.949   18.997   0.0000   0.0000   53.273   14.071  ?   ?  0.000000 14.07065 
1 1 1    8   -7   15 o  131.835   8.5472  218.541   27.987  214.557   37.701  223.432   41.770  130.216   11.720  132.745   12.758 -2.529083 17.32378 
1 1 1    8   -7   16 o  301.017   11.282  1137.88   84.808  1107.24  118.671  1169.86  121.243  295.629   16.136  303.924   16.032 -8.295502 22.74599 
1 1 1    8   -7   17 o  377.840   12.846  1797.53  121.209  1694.31  170.065  1904.09  172.796  364.667   18.739  387.373   17.863 -22.70569 25.88873 
1 1 1    8   -7   18 o  190.313   12.546  458.138   59.292  397.777   78.074  540.384   91.135  176.029   18.015  205.455   17.943 -29.42546 25.42627 
1 1 1    8   -7   19 o  408.977   13.606  2111.54  138.952  1975.03  194.706  2253.22  198.361  392.616   19.924  420.342   18.897 -27.72638 27.46081 
1 1 1    8   -7   20 o   98.962   9.8532  124.226   24.026  120.173   29.932  131.568   40.286   96.814   12.686  100.515   16.632 -3.700699 20.91747 
1 1 1    8   -7   21 o   79.429   10.528   80.708   20.367   70.684   24.326  104.206   37.247   73.634   13.735   89.013   17.380 -15.37959 22.15204 
1 1 1    8   -7   22 o  266.228   11.006  892.342   73.171  908.641   99.551  873.190  107.912  267.313   14.974  261.484   16.613 5.829102 22.36480 
1 1 1    8   -7   23 o  222.088   14.321  627.359   78.998  673.332  111.036  580.235  112.416  228.307   19.668  211.072   21.634 17.23476 29.23736 
1 1 1    8   -7   24 o  207.296   10.494  542.346   54.148  550.663   69.675  529.662   86.046  208.169   13.475  203.055   17.129 5.113342 21.79444 
1 1 1    8   -7   25 o  215.259   10.307  583.480   55.407  611.269   71.411  541.448   87.826  219.383   13.095  205.116   17.308 14.26730 21.70347 
1 1 1    8   -7   26 o  281.489   12.822  1003.45   90.131  1027.27  109.587  953.652  158.452  283.481   15.540  268.913   23.843 14.56784 28.46014 
1 1 1    8   -7   27 f  307.540   13.171  1200.84  101.150  1243.79  123.159  1111.83  177.302  311.445   15.888  289.015   24.807 22.43042 29.45887 
1 1 1    8   -7   28 o  219.169   19.840  630.779  107.410  630.779  107.410   0.0000   0.0000  219.169   19.840  ?   ?  0.000000 19.84032 
1 1 1    8   -7   29 o  174.111   11.598  387.003   50.140  419.973   60.241  312.664   90.457  180.741   13.443  150.531   24.937 30.20978 28.32970 
1 1 1    8   -7   30 o  186.535   11.531  445.432   53.448  473.789   64.223  381.545   96.398  191.534   13.514  166.012   23.945 25.52286 27.49578 
1 1 1    8   -7   31 o   49.781   15.966   32.084   22.482   32.643   24.851   29.567   52.755   50.637   16.823   58.490   23.541 -7.852154 28.93415 
1 1 1    8   -7   32 o   71.108   21.221   71.490   40.547   67.486   54.112   76.617   61.230   70.336   24.783   74.230   26.340 -3.894066 36.16593 
1 1 1    8   -7   33 o  131.627   12.271  226.887   39.871  241.801   46.232  183.604   78.761  135.047   13.908  107.664   28.752 27.38281 31.93943 
1 1 1    8   -7   34 o  139.635   12.859  257.607   44.336  302.409   51.310  125.573   88.084  150.775   13.780   87.118   31.513 63.65686 34.39426 
1 1 1    8   -7   35 o   36.100   17.116 -39.2721   41.386  -5.4421   54.328 -86.0469   63.882   48.450   21.717   40.623   19.761 7.826408 29.36160 
1 1 1    8   -7   36 o   89.855   22.102  123.988   49.252  123.988   49.252   0.0000   0.0000   89.855   22.102  ?   ?  0.000000 22.10228 
1 1 1    8   -7   37 o  122.135   14.241  205.369   42.619  219.055   49.131  163.768   85.658  124.571   16.176   91.851   31.236 32.71916 35.17620 
1 1 1    8   -6    0 o  218.733   9.4825  598.155   51.795  579.216   73.319  617.023   73.180  214.652   13.750  221.623   13.284 -6.970657 19.11932 
1 1 1    8   -6    1 o   91.904   8.7908  106.541   19.929  116.395   28.512   97.128   27.867   95.679   12.212   87.111   13.226 8.568321 18.00158 
1 1 1    8   -6    2 o   67.707   9.6540   58.466   15.860   59.534   22.887   57.480   21.999   67.719   13.997   66.549   13.694 1.169319 19.58177 
1 1 1    8   -6    3 o  233.356   9.7988  680.811   57.101  681.840   80.981  679.794   80.527  232.958   13.985  232.613   13.927 0.3456268 19.73698 
1 1 1    8   -6    4 o  308.850   11.271  1193.06   86.931  1182.23  123.108  1203.83  122.770  306.750   16.128  309.570   15.935 -2.820038 22.67247 
1 1 1    8   -6    5 o  357.935   12.558  1603.07  112.247  1565.63  158.812  1640.44  158.671  352.871   18.083  361.716   17.566 -8.844757 25.21072 
1 1 1    8   -6    6 o  633.645   28.097  5067.31  444.585  4750.05  628.370  5385.31  629.108  608.307   41.616  648.927   39.003 -40.62030 57.03618 
1 1 1    8   -6    7 o  441.111   20.562  2443.92  226.497  2174.79  320.088  2713.80  320.541  413.398   31.237  462.881   27.861 -49.48285 41.85645 
1 1 1    8   -6    8 o   91.264   9.4185  105.238   21.156  102.339   30.355  107.977   29.503   89.329   14.074   91.941   13.231 -2.612000 19.31641 
1 1 1    8   -6    9 o  475.789   15.617  2837.22  185.548  2743.49  262.273  2931.13  262.536  466.918   22.494  482.740   21.778 -15.82114 31.30915 
1 1 1    8   -6   10 o  532.657   17.032  3559.91  226.553  3435.64  320.095  3684.66  320.695  521.906   24.560  540.666   23.753 -18.75989 34.16731 
1 1 1    8   -6   11 o  398.360   13.122  1987.83  130.539  1788.19  184.186  2189.33  185.037  376.567   19.655  417.503   17.748 -40.93567 26.48227 
1 1 1    8   -6   12 o  430.385   20.426  2333.64  219.531   0.0000   0.0000  2333.64  219.531  ?   ?   430.385   20.426 0.000000 20.42624 
1 1 1    8   -6   13 f  240.201   14.114  726.429   84.288  726.429   84.288   0.0000   0.0000  240.201   14.114  ?   ?  0.000000 14.11408 
1 1 1    8   -6   14 o  464.254   21.756  2727.85  252.225  2661.56  356.362  2794.40  357.038  454.191   31.617  465.781   30.871 -11.59058 44.18873 
1 1 1    8   -6   15 o   80.849   10.066   83.147   19.884  106.405   26.086   50.895   30.718   91.370   11.702   62.916   18.392 28.45329 21.79889 
1 1 1    8   -6   16 o  110.169   8.6528  152.918   23.613  148.613   31.148  158.737   36.210  108.185   11.717  111.603   13.252 -3.417801 17.68868 
1 1 1    8   -6   17 o  283.634   10.359  1009.31   73.372  952.813  102.292  1069.17  105.301  274.469   14.981  291.260   14.478 -16.79074 20.83360 
1 1 1    8   -6   18 o  185.552   9.3669  432.875   43.262  421.119   58.989  446.556   63.639  182.416   13.035  187.748   13.668 -5.332428 18.88717 
1 1 1    8   -6   19 o  273.609   10.913  940.881   74.563  949.236  103.619  931.909  107.378  273.567   15.228  270.848   15.946 2.719574 22.04958 
1 1 1    8   -6   20 o   90.486   14.308  105.901   31.255  113.993   36.043   81.370   62.756   93.592   15.996   80.612   26.731 12.98014 31.15178 
1 1 1    8   -6   21 o  216.480   9.6311  588.518   52.065  554.347   70.341  629.924   77.430  209.093   13.544  222.836   13.986 -13.74274 19.46923 
1 1 1    8   -6   22 o  271.825   10.514  929.215   71.367  904.686   97.414  957.632  104.851  266.925   14.671  274.429   15.362 -7.504791 21.24174 
1 1 1    8   -6   23 o  180.649   9.9262  411.395   44.607  417.689   58.342  402.539   69.208  181.426   12.963  177.399   15.788 4.027710 20.42752 
1 1 1    8   -6   24 o  275.477   13.039  958.895   89.697  942.500  103.877  1006.95  177.842  272.080   15.351  276.381   26.076 -4.301056 30.25923 
1 1 1    8   -6   25 o  174.761   13.764  388.997   59.583  444.661   83.530  331.334   85.017  185.599   18.259  158.711   22.046 26.88739 28.62568 
1 1 1    8   -6   26 o  254.123   10.758  813.726   68.267  797.138   88.963  837.482  106.467  250.263   14.294  255.638   16.771 -5.375366 22.03608 
1 1 1    8   -6   27 f  200.249   11.250  507.699   56.028  546.360   67.554  422.503  100.282  207.251   13.121  178.646   23.014 28.60545 26.49169 
1 1 1    8   -6   28 o  365.692   15.036  1706.61  137.310  1721.91  167.436  1675.20  239.944  364.935   18.433  352.698   27.459 12.23636 33.07250 
1 1 1    8   -6   29 o   72.800   18.645   71.363   34.045   71.363   34.045   0.0000   0.0000   72.800   18.645  ?   ?  0.000000 18.64512 
1 1 1    8   -6   30 o  108.781   12.392  152.686   33.062  189.290   38.437   48.575   64.824  121.107   12.909   68.672   26.567 52.43507 29.53724 
1 1 1    8   -6   31 o  141.655   11.391  257.470   39.953  284.960   47.058  186.489   75.618  148.556   12.810  113.546   27.054 35.01021 29.93331 
1 1 1    8   -6   32 o   74.840   14.948   75.344   26.959   76.233   30.079   71.716   60.788   74.793   16.543   73.413   26.224 1.380394 31.00600 
1 1 1    8   -6   33 o  154.606   11.959  310.230   45.811  363.069   54.259  179.065   85.488  166.682   13.142  106.350   30.566 60.33155 33.27118 
1 1 1    8   -6   34 o   48.328   19.845   16.931   38.384  -4.1122   49.581   48.409   60.639   47.581   21.072   64.592   25.488 -17.01046 33.06997 
1 1 1    8   -6   35 o  136.146   14.711  249.029   49.219  249.029   49.219   0.0000   0.0000  136.146   14.711  ?   ?  0.000000 14.71082 
1 1 1    8   -6   36 o  186.380   12.576  459.195   58.189  470.878   68.523  428.987  110.186  186.774   14.813  163.884   27.925 22.89043 31.61089 
1 1 1    8   -6   37 o   39.911   17.021   6.1236   29.905   6.1236   29.905   0.0000   0.0000   39.911   17.021  ?   ?  0.000000 17.02129 
1 1 1    8   -6   38 o  106.859   18.636  167.949   47.920  167.949   47.920   0.0000   0.0000  106.859   18.636  ?   ?  0.000000 18.63553 
1 1 1    8   -5    0 o  504.177   16.140  3186.75  203.207  3147.84  287.371  3225.66  287.384  500.046   23.014  506.239   22.733 -6.193390 32.34825 
1 1 1    8   -5    1 o  185.238   8.8845  428.939   41.097  425.491   58.203  432.368   58.039  183.939   12.750  185.440   12.608 -1.500946 17.93114 
1 1 1    8   -5    2 o   99.436   8.5347  124.495   20.987  123.676   29.852  125.295   29.512   98.645   12.392   99.332   12.151 -0.6868820 17.35515 
1 1 1    8   -5    3 o  481.235   15.623  2901.51  187.741  2891.02  265.608  2912.00  265.404  479.530   22.181  481.282   22.083 -1.751526 31.29924 
1 1 1    8   -5    4 o  170.395   8.7323  363.851   37.032  363.157   52.636  364.531   52.110  169.906   12.493  170.245   12.341 -0.3384247 17.56093 
1 1 1    8   -5    5 o  164.412   8.6284  338.777   35.301  332.836   50.208  344.585   49.644  162.625   12.458  165.523   12.094 -2.898361 17.36298 
1 1 1    8   -5    6 o  646.449   20.030  5245.85  323.338  5148.48  457.248  5343.23  457.290  638.635   28.671  650.732   28.141 -12.09674 40.17415 
1 1 1    8   -5    7 o  100.158   8.7725  126.342   21.720  121.635   31.368  130.678   30.104   97.707   13.194  101.485   12.118 -3.778831 17.91446 
1 1 1    8   -5    8 o  113.308   11.664  162.297   32.531  148.150   47.010  175.297   45.062  107.215   18.210  117.241   15.793 -10.02605 24.10457 
1 1 1    8   -5    9 o  724.574   31.244  6647.17  565.326  5835.32  798.247  7464.11  800.742  671.092   47.948  762.389   42.224 -91.29730 63.89008 
1 1 1    8   -5   10 o  526.342   16.861  3474.05  221.616  3371.89  313.293  3576.36  313.532  517.352   24.250  532.942   23.559 -15.58905 33.80949 
1 1 1    8   -5   11 o  298.727   11.169  1116.53   83.321  1137.39  117.762  1095.61  117.907  300.793   15.732  295.159   16.057 5.634155 22.47986 
1 1 1    8   -5   12 o  556.714   20.529  3900.06  285.392  4041.46  495.024  3829.67  349.283  561.354   35.496  550.530   25.406 10.82355 43.65165 
1 1 1    8   -5   13 o  105.727   10.728  141.344   27.932  181.526   33.507   49.805   50.573  119.882   11.327   67.452   23.938 52.42952 26.48229 
1 1 1    8   -5   14 o  316.192   11.436  1252.34   90.296  1240.26  127.129  1264.64  128.274  313.732   16.283  316.811   16.269 -3.079803 23.01750 
1 1 1    8   -5   15 f  187.097   9.0735  438.105   42.393  431.587   58.905  445.107   61.058  185.045   12.827  187.897   13.095 -2.851868 18.33007 
1 1 1    8   -5   16 o  363.285   18.075  1665.86  163.974  1679.19  231.675  1652.48  232.113  361.857   25.808  358.852   26.080 3.005402 36.69083 
1 1 1    8   -5   17 o  342.115   11.591  1469.05   99.028  1398.60  138.887  1541.90  141.235  332.452   16.784  349.631   16.176 -17.17920 23.31030 
1 1 1    8   -5   18 o   47.532   11.607   29.510   13.658   13.961   16.205   67.656   25.382   36.995   13.496   71.994   14.617 -34.99884 19.89471 
1 1 1    8   -5   19 o  215.055   9.7661  580.234   52.447  614.473   72.394  542.413   76.087  220.488   13.209  206.770   14.834 13.71835 19.86293 
1 1 1    8   -5   20 o   79.557   9.7768   80.618   19.015   77.939   23.179   86.132   33.248   77.748   12.352   80.950   16.989 -3.201736 21.00475 
1 1 1    8   -5   21 o  227.021   13.763  652.935   77.658  600.604  102.822  722.424  118.485  216.195   19.247  236.923   20.220 -20.72882 27.91570 
1 1 1    8   -5   22 o  204.962   10.075  527.804   51.568  526.435   69.570  529.473   76.823  203.703   13.757  203.941   15.194 -0.2383575 20.49656 
1 1 1    8   -5   23 o  308.832   11.417  1200.86   88.047  1142.88  121.050  1265.98  128.301  299.597   16.241  315.323   16.350 -15.72540 23.04512 
1 1 1    8   -5   24 o  254.101   10.643  812.276   67.537  810.062   90.739  815.024  101.126  252.564   14.447  252.828   16.101 -0.2643585 21.63239 
1 1 1    8   -5   25 o   35.453   12.920   12.949   14.846   17.117   16.408  -5.8779   34.869   39.021   13.654   41.214   17.979 -2.192825 22.57610 
1 1 1    8   -5   26 o  159.029   12.603  321.396   49.640  304.806   73.510  335.302   67.303  152.919   19.709  161.340   16.959 -8.421341 26.00054 
1 1 1    8   -5   27 o  112.914   11.355  162.374   31.582  172.889   37.037  134.357   60.457  116.210   12.985   99.514   24.493 16.69506 27.72238 
1 1 1    8   -5   28 o  334.345   14.462  1421.06  120.750  1526.91  147.447  1205.51  210.408  345.353   17.097  299.302   28.496 46.05060 33.23111 
1 1 1    8   -5   29 o  146.025   10.821  270.747   39.179  271.379   46.580  269.220   72.441  145.681   12.939  142.449   20.994 3.231277 24.66069 
1 1 1    8   -5   30 o   53.928   15.460   38.249   21.896   53.778   25.022 -12.5102   45.239   63.483   15.836   45.155   20.056 18.32760 25.55462 
1 1 1    8   -5   31 o  198.533   19.336  522.136   94.645  522.136   94.645   0.0000   0.0000  198.533   19.336  ?   ?  0.000000 19.33573 
1 1 1    8   -5   32 f  141.645   11.645  257.888   40.825  268.185   48.025  231.064   77.514  143.756   13.538  127.637   25.214 16.11871 28.61806 
1 1 1    8   -5   33 o   74.960   15.274   75.863   27.621   73.724   30.986   84.139   60.947   73.289   17.222   77.485   26.348 -4.195976 31.47745 
1 1 1    8   -5   34 o   71.082   25.793   68.289   59.079   0.0000   0.0000   68.289   59.079  ?   ?    71.082   25.793 0.000000 25.79344 
1 1 1    8   -5   35 o  131.258   24.573  255.398   77.584  255.398   77.584   0.0000   0.0000  131.258   24.573  ?   ?  0.000000 24.57286 
1 1 1    8   -5   36 o  118.099   13.479  185.824   39.041  198.819   44.950  145.916   78.771  121.219   15.182   93.867   29.862 27.35216 33.50023 
1 1 1    8   -5   37 o  150.605   12.619  300.696   47.021  323.456   55.430  242.277   88.802  154.822   14.506  120.020   29.773 34.80169 33.11877 
1 1 1    8   -5   38 o  106.636   15.477  157.882   40.010  181.877   46.036   83.805   80.887  113.659   16.719   72.986   29.229 40.67291 33.67297 
1 1 1    8   -5   39 o   88.212   24.738  129.987   56.699  129.987   56.699   0.0000   0.0000   88.212   24.738  ?   ?  0.000000 24.73842 
1 1 1    8   -4    0 o  244.019   14.195  748.551   86.125  696.432  122.017  800.301  121.584  234.355   21.075  251.611   19.503 -17.25563 28.71433 
1 1 1    8   -4    1 o  377.663   18.193  1790.53  171.576  1965.64  243.277  1617.23  242.020  394.022   24.852  356.697   27.380 37.32562 36.97650 
1 1 1    8   -4    2 o   70.261   9.4143   62.824   16.103   69.638   22.951   56.219   22.598   73.504   12.978   65.742   14.182 7.762718 19.22388 
1 1 1    8   -4    3 o  315.972   11.499  1249.03   90.728  1217.69  128.338  1280.35  128.281  311.216   16.573  319.199   16.146 -7.982971 23.13803 
1 1 1    8   -4    4 o  577.020   18.198  4176.88  262.219  4199.36  370.944  4154.41  370.723  577.214   25.735  574.090   25.859 3.123718 36.48272 
1 1 1    8   -4    5 o  182.624   8.8565  416.876   40.390  415.314   57.316  418.416   56.925  181.736   12.709  182.431   12.572 -0.6943817 17.87723 
1 1 1    8   -4    6 o  573.390   18.145  4123.24  259.805  4167.87  367.589  4078.69  367.249  575.233   25.590  568.996   25.846 6.237244 36.37145 
1 1 1    8   -4    7 o  623.044   19.468  4871.23  302.894  4734.66  428.243  5007.95  428.471  612.613   27.993  630.221   27.226 -17.60815 39.04945 
1 1 1    8   -4    8 o  411.962   13.835  2124.43  142.324  2073.34  201.332  2175.47  201.221  406.431   19.837  416.374   19.353 -9.942841 27.71334 
1 1 1    8   -4    9 o  613.289   19.209  4719.89  294.190  4565.37  415.940  4874.58  416.154  601.545   27.689  621.786   26.802 -20.24023 38.53607 
1 1 1    8   -4   10 o  209.534   13.118  551.664   68.292  535.177   96.773  568.019   96.386  205.635   19.062  211.996   18.389 -6.360580 26.48635 
1 1 1    8   -4   11 o  301.551   22.577  1150.36  168.778   0.0000   0.0000  1150.36  168.778  ?   ?   301.551   22.577 0.000000 22.57715 
1 1 1    8   -4   12 o  181.558   12.616  414.633   56.842  414.633   56.842   0.0000   0.0000  181.558   12.616  ?   ?  0.000000 12.61563 
1 1 1    8   -4   13 o  464.328   15.178  2703.44  175.988  2653.17  248.648  2753.90  249.122  458.976   21.694  467.675   21.331 -8.698212 30.42475 
1 1 1    8   -4   14 o  177.105   9.0018  393.324   39.681  416.279   55.490  369.302   56.766  181.887   12.289  171.136   13.390 10.75125 18.17423 
1 1 1    8   -4   15 o  283.559   10.835  1006.86   76.720  979.945  107.857  1034.42  109.152  278.890   15.549  286.599   15.307 -7.709717 21.81879 
1 1 1    8   -4   16 o  365.654   12.768  1677.27  116.583  1680.38  164.322  1674.11  165.431  365.144   18.021  364.433   18.178 0.7115784 25.59691 
1 1 1    8   -4   17 o  216.037   13.617  588.669   73.083  580.457  102.909  597.025  103.807  213.385   19.529  216.460   19.410 -3.074692 27.53466 
1 1 1    8   -4   18 o  261.282   11.706  856.998   76.376  860.839   93.113  849.097  133.524  261.134   14.334  257.756   20.925 3.377655 25.36369 
1 1 1    8   -4   19 o  336.157   11.852  1419.88   99.489  1368.89  139.457  1472.73  141.975  328.533   17.057  341.308   16.658 -12.77454 23.84166 
1 1 1    8   -4   20 o  240.105   9.8225  723.324   58.895  693.563   81.223  756.320   85.523  234.133   13.955  244.506   14.066 -10.37323 19.81438 
1 1 1    8   -4   21 o  182.707   9.2811  419.830   42.206  423.877   56.945  414.896   62.871  183.048   12.533  180.790   14.036 2.258301 18.81737 
1 1 1    8   -4   22 o  197.618   9.2857  490.054   45.824  486.074   61.652  494.967   68.496  195.998   12.664  197.508   13.978 -1.509583 18.86177 
1 1 1    8   -4   23 o  239.406   15.186  728.479   90.316  748.056  119.217  702.109  138.364  241.085   19.982  231.887   24.253 9.197968 31.42481 
1 1 1    8   -4   24 o  183.647   9.5819  424.691   43.790  424.798   57.121  424.538   68.199  183.116   12.568  182.479   15.102 0.6365509 19.64735 
1 1 1    8   -4   25 f  101.657   10.465  131.308   26.187  136.252   31.892  121.078   45.878  103.174   12.643   95.563   19.873 7.611008 23.55351 
1 1 1    8   -4   26 f  119.682   10.197  181.410   30.184  190.434   36.834  162.961   52.665  122.277   12.227  111.238   19.679 11.03983 23.16839 
1 1 1    8   -4   27 o  178.963   10.624  404.589   47.265  415.276   56.909  380.826   84.860  180.881   12.679  171.004   20.267 9.877106 23.90600 
1 1 1    8   -4   28 f  359.931   18.604  1665.68  166.645  1695.03  235.442  1636.22  235.902  357.838   26.537  351.111   27.115 6.727478 37.94014 
1 1 1    8   -4   29 o  135.519   11.281  233.408   37.831  272.475   45.132  141.094   69.376  146.220   12.480  101.313   26.951 44.90672 29.70041 
1 1 1    8   -4   30 o  126.704   11.062  204.409   34.650  207.346   40.805  196.816   65.610  127.148   13.036  120.786   22.583 6.362228 26.07504 
1 1 1    8   -4   31 o  142.288   11.082  258.022   39.066  276.947   46.752  214.236   71.113  146.938   12.871  125.133   23.624 21.80509 26.90241 
1 1 1    8   -4   32 o  146.904   18.305  286.237   65.695  286.237   65.695   0.0000   0.0000  146.904   18.305  ?   ?  0.000000 18.30508 
1 1 1    8   -4   33 o  120.628   12.231  188.207   36.334  204.248   41.925  139.814   72.819  125.205   13.629   97.551   28.261 27.65451 31.37540 
1 1 1    8   -4   34 o   32.227   15.202 -32.2390   31.875 -18.1537   43.930 -47.8991   46.321   42.377   19.213   38.227   18.120 4.149937 26.40959 
1 1 1    8   -4   35 o   64.879   16.801   58.235   27.435   68.868   30.731   16.487   60.893   70.339   17.552   57.009   24.300 13.33012 29.97617 
1 1 1    8   -4   36 o   45.809   16.994   23.712   25.870   25.607   28.870   15.992   58.277   47.790   17.908   55.490   23.716 -7.699951 29.71757 
1 1 1    8   -4   37 o   77.119   22.506   88.767   46.031   89.916   63.175   87.466   67.207   76.755   26.795   76.064   27.524 0.6918030 38.41336 
1 1 1    8   -4   38 o   78.795   17.531   88.644   33.606  118.246   38.524  -5.6019   68.739   91.328   17.529   53.338   24.121 37.99048 29.81797 
1 1 1    8   -4   39 o  142.312   13.565  273.861   47.625  314.467   56.491  174.098   88.546  151.163   15.170   96.128   31.746 55.03594 35.18444 
1 1 1    8   -3    0 o  248.034   9.8058  769.578   60.736  825.796   86.106  713.914   85.681  256.368   13.497  238.200   14.473 18.16774 19.79009 
1 1 1    8   -3    1 o  102.863   8.2595  133.127   21.037  137.234   29.961  129.133   29.545  104.051   11.736  100.862   11.964 3.189095 16.75875 
1 1 1    8   -3    2 o  315.579   15.874  1251.98  124.699  1461.67  177.248  1046.48  175.468  340.232   20.964  286.969   24.727 53.26352 32.41793 
1 1 1    8   -3    3 o  470.987   21.749  2790.82  255.794  2963.53  362.213  2619.01  361.285  482.751   30.198  453.158   32.135 29.59302 44.09721 
1 1 1    8   -3    4 o  528.184   24.069  3513.97  317.461  3451.27  448.953  3576.66  448.961  519.893   34.782  529.507   34.135 -9.613403 48.73385 
1 1 1    8   -3    5 o  337.164   11.996  1422.33  101.005  1367.59  142.831  1477.10  142.855  329.781   17.405  343.264   16.665 -13.48230 24.09743 
1 1 1    8   -3    6 o  315.441   11.465  1244.64   90.308  1216.34  127.819  1272.84  127.610  311.099   16.512  318.311   16.106 -7.212158 23.06655 
1 1 1    8   -3    7 o  383.383   13.149  1839.45  125.886  1837.07  178.150  1841.82  177.910  382.689   18.642  383.188   18.592 -0.4993896 26.32866 
1 1 1    8   -3    8 o  403.391   13.662  2036.76  137.624  1977.53  194.573  2096.07  194.686  396.964   19.628  408.746   19.074 -11.78171 27.36906 
1 1 1    8   -3    9 o  399.107   13.462  1993.61  134.167  1995.81  189.904  1991.42  189.578  398.848   19.067  398.410   19.055 0.4379272 26.95605 
1 1 1    8   -3   10 o  485.655   15.791  2954.87  191.503  2800.37  270.731  3109.58  270.922  471.904   22.974  497.450   21.809 -25.54584 31.67729 
1 1 1    8   -3   11 o  287.629   11.098  1034.76   79.711  997.473  112.822  1071.91  112.634  281.674   16.107  292.100   15.497 -10.42578 22.35115 
1 1 1    8   -3   12 o  220.827   13.383  612.733   73.451  578.126  103.697  647.581  104.056  213.673   19.655  226.404   18.568 -12.73175 27.03848 
1 1 1    8   -3   13 o  288.013   15.185  1042.53  108.828  928.751  153.367  1157.91  154.450  270.623   22.909  302.793   20.548 -32.16986 30.77430 
1 1 1    8   -3   14 o  341.555   11.865  1460.43  101.200  1338.93  142.688  1583.40  143.554  326.062   17.589  355.244   16.182 -29.18173 23.90071 
1 1 1    8   -3   15 o  285.486   10.627  1020.11   75.760  940.128  106.527  1101.97  107.764  273.232   15.678  296.403   14.559 -23.17047 21.39587 
1 1 1    8   -3   16 o  305.581   11.295  1169.67   86.192  1175.55  121.334  1163.69  122.462  305.453   15.962  303.863   16.197 1.589813 22.74094 
1 1 1    8   -3   17 o  222.149   9.6914  617.882   53.763  601.444   75.057  635.204   77.047  218.432   13.832  224.506   13.810 -6.074081 19.54539 
1 1 1    8   -3   18 o  262.188   10.193  861.391   66.740  826.899   93.131  897.806   95.691  255.993   14.629  266.817   14.415 -10.82304 20.53799 
1 1 1    8   -3   19 o  493.103   22.916  3099.94  282.175  3349.36  399.397  2851.38  398.715  506.929   31.710  465.769   34.526 41.15942 46.87811 
1 1 1    8   -3   20 o  256.762   10.705  827.478   68.636  883.419   95.688  768.194   98.506  264.326   14.553  246.073   16.120 18.25272 21.71687 
1 1 1    8   -3   21 o  153.289   8.9369  295.570   34.061  277.562   45.454  318.633   51.440  148.011   12.412  158.529   13.112 -10.51849 18.05493 
1 1 1    8   -3   22 o  132.226   8.6384  220.114   28.367  203.416   36.569  245.340   44.947  126.639   11.696  138.926   13.111 -12.28617 17.56969 
1 1 1    8   -3   23 o  240.424   10.273  726.133   61.677  750.525   84.337  698.090   90.431  243.426   13.932  234.329   15.542 9.096619 20.87225 
1 1 1    8   -3   24 o  372.855   19.705  1781.21  182.820  1885.94  252.055  1664.94  265.566  379.679   26.756  354.363   30.302 25.31595 40.42364 
1 1 1    8   -3   25 o   47.730   14.095   29.244   17.960   28.930   18.434   35.126   79.673   47.616   14.331   71.642   28.896 -24.02628 32.25488 
1 1 1    8   -3   26 o  123.960   9.9268  194.310   30.471  198.299   37.437  186.480   52.448  124.846   12.162  119.675   18.117 5.171303 21.82053 
1 1 1    8   -3   27 o  113.568   10.286  163.508   28.855  159.575   33.837  173.995   55.249  111.812   12.323  114.956   19.971 -3.144058 23.46678 
1 1 1    8   -3   28 o  117.771   10.690  176.023   31.096  176.647   36.714  174.438   58.495  117.592   12.704  114.664   21.210 2.928009 24.72364 
1 1 1    8   -3   29 o  203.549   14.306  528.165   72.254  558.197  101.851  497.739  102.517  207.339   19.916  195.114   21.391 12.22534 29.22739 
1 1 1    8   -3   30 o   89.079   12.361  102.257   26.755  107.008   31.176   88.981   52.120   90.729   14.228   81.487   23.996 9.242477 27.89703 
1 1 1    8   -3   31 o  100.261   12.081  129.169   29.638  137.280   34.685  107.225   57.052  102.966   13.840   88.487   24.815 14.47966 28.41385 
1 1 1    8   -3   32 o  273.068   12.743  950.016   86.895  1001.75  105.910  843.465  151.991  278.815   15.270  249.575   24.712 29.23993 29.04926 
1 1 1    8   -3   33 o   68.509   15.294   62.907   25.502   72.534   29.418   33.800   51.152   73.377   16.460   59.950   23.486 13.42681 28.67978 
1 1 1    8   -3   34 o  137.739   18.737  255.689   62.776  255.689   62.776   0.0000   0.0000  137.739   18.737  ?   ?  0.000000 18.73723 
1 1 1    8   -3   35 o   43.451   16.084   20.455   23.147   18.308   26.053   28.504   50.442   43.751   16.866   57.076   23.002 -13.32441 28.52309 
1 1 1    8   -3   36 o  122.430   12.430  196.138   37.474  212.569   44.118  153.570   71.011  126.651   14.193   99.860   27.570 26.79082 31.00902 
1 1 1    8   -3   37 o   52.931   17.471   37.266   26.819   34.947   30.275   45.720   57.809   52.485   18.532   63.070   24.886 -10.58458 31.02837 
1 1 1    8   -3   38 o   36.221   16.900 -27.5993   37.587 -38.9769   51.828 -14.9754   54.593   41.621   19.556   47.017   21.356 -5.396255 28.95668 
1 1 1    8   -3   39 o   41.028   17.071   10.249   28.919   7.3383   33.196   19.412   58.897   42.180   17.960   55.103   23.703 -12.92376 29.73876 
1 1 1    8   -3   40 o   44.624   17.893   19.181   30.353   6.6829   34.997   57.115   60.971   42.423   18.260   64.016   25.463 -21.59332 31.33346 
1 1 1    8   -2    0 o  527.438   16.790  3494.65  221.145  3571.27  312.868  3418.14  312.624  531.629   23.567  519.971   24.076 11.65747 33.69085 
1 1 1    8   -2    1 o  543.441   17.270  3710.14  234.372  3826.44  331.648  3594.11  331.257  550.292   24.134  533.125   24.882 17.16693 34.66378 
1 1 1    8   -2    2 o  260.490   10.057  848.899   65.420  852.494   92.523  845.305   92.513  260.395   14.283  259.284   14.344 1.110870 20.24249 
1 1 1    8   -2    3 o  272.405   10.229  928.240   69.580  949.051   98.468  907.486   98.334  274.818   14.398  268.678   14.712 6.140564 20.58540 
1 1 1    8   -2    4 o  530.455   17.002  3530.06  225.217  3539.44  318.558  3520.68  318.451  529.899   24.074  528.482   24.130 1.417603 34.08543 
1 1 1    8   -2    5 o  308.458   16.119  1195.94  123.729  1189.28  175.149  1202.58  174.809  306.533   23.050  308.284   22.870 -1.751282 32.47072 
1 1 1    8   -2    6 o  389.026   18.749  1899.21  182.137  1990.43  257.941  1808.49  257.220  396.469   26.201  377.567   27.469 18.90201 37.96111 
1 1 1    8   -2    7 o  607.034   27.166  4647.50  411.810  4563.42  582.361  4731.60  582.412  597.062   39.278  608.283   38.541 -11.22131 55.02918 
1 1 1    8   -2    8 o  396.576   13.471  1968.42  133.405  1927.26  188.702  2009.54  188.624  391.915   19.281  400.234   18.873 -8.319550 26.98040 
1 1 1    8   -2    9 o  548.032   17.398  3764.83  238.100  3700.29  336.718  3829.38  336.730  542.201   24.869  551.653   24.444 -9.451477 34.87045 
1 1 1    8   -2   10 o  281.690   15.622  996.952  109.457   0.0000   0.0000  996.952  109.457  ?   ?   281.690   15.622 0.000000 15.62164 
1 1 1    8   -2   11 o  550.229   24.836  3811.49  341.249  3811.49  341.249   0.0000   0.0000  550.229   24.836  ?   ?  0.000000 24.83576 
1 1 1    8   -2   12 o  318.610   11.660  1269.90   92.771  1308.17  131.192  1231.61  131.204  322.670   16.335  312.997   16.848 9.672638 23.46684 
1 1 1    8   -2   13 o  248.799   10.007  774.057   62.175  860.301   87.992  688.057   87.867  261.785   13.506  233.861   15.127 27.92389 20.27890 
1 1 1    8   -2   14 o  609.874   26.931  4700.19  410.151  4305.43  579.156  5097.36  580.930  578.128   40.370  630.761   37.044 -52.63373 54.79031 
1 1 1    8   -2   15 o  239.786   13.145  722.411   78.410  562.179  109.591  890.467  112.234  210.263   21.159  265.790   16.999 -55.52699 27.14171 
1 1 1    8   -2   16 o  302.891   10.789  1148.45   81.609  1053.01  114.717  1246.23  116.119  289.160   15.949  315.171   14.754 -26.01089 21.72642 
1 1 1    8   -2   17 o  311.889   11.385  1218.63   88.671  1201.14  124.758  1236.49  126.050  308.692   16.241  313.226   16.170 -4.534393 22.91862 
1 1 1    8   -2   18 o  324.547   11.715  1320.60   94.942  1297.31  133.426  1344.50  135.127  320.560   16.726  326.373   16.635 -5.813080 23.58982 
1 1 1    8   -2   19 f  200.603   9.5847  504.092   48.014  526.753   66.400  479.258   69.511  204.367   13.079  194.682   14.400 9.684753 19.45351 
1 1 1    8   -2   20 o  237.031   10.103  704.454   59.801  734.583   83.199  672.252   86.013  241.212   13.871  230.492   15.026 10.72055 20.44930 
1 1 1    8   -2   21 o  104.113   12.866  138.406   32.737  135.019   45.649  141.992   46.975  101.635   18.674  104.278   18.728 -2.642700 26.44721 
1 1 1    8   -2   22 o  131.893   8.8856  219.055   29.095  228.339   38.019  205.933   45.201  134.304   11.445  126.943   14.520 7.361664 18.48848 
1 1 1    8   -2   23 o  195.219   9.0478  477.972   44.108  460.003   59.203  500.388   66.125  190.731   12.499  198.780   13.399 -8.048798 18.32404 
1 1 1    8   -2   24 o  143.358   9.5871  259.099   34.123  263.408   44.179  252.727   53.725  144.091   12.399  140.467   15.579 3.623520 19.91033 
1 1 1    8   -2   25 o  242.017   10.701  736.368   64.675  763.911   87.442  703.102   96.099  245.435   14.329  234.838   16.492 10.59702 21.84716 
1 1 1    8   -2   26 o  250.008   15.265  794.563   94.847  747.717  120.723  870.113  153.311  240.867   20.259  258.380   24.037 -17.51366 31.43521 
1 1 1    8   -2   27 o  215.496   10.375  583.888   55.832  608.991   72.725  547.855   87.130  219.189   13.350  206.871   17.017 12.31830 21.62899 
1 1 1    8   -2   28 o   54.966   14.215   39.672   19.657   47.030   22.228   13.271   42.104   59.761   14.936   50.966   20.840 8.794788 25.63937 
1 1 1    8   -2   29 o   75.674   13.333   74.492   24.275   93.204   27.969   17.368   48.869   84.792   13.674   55.281   22.510 29.51056 26.33809 
1 1 1    8   -2   30 o  157.250   10.972  313.207   42.816  342.376   51.359  246.743   77.525  164.075   12.632  135.812   23.722 28.26259 26.87568 
1 1 1    8   -2   31 o  148.378   14.221  282.406   52.047  298.358   73.119  266.023   74.103  150.701   19.918  141.537   21.655 9.164001 29.42170 
1 1 1    8   -2   32 o  154.028   10.950  301.547   41.842  303.236   50.122  297.663   76.002  153.859   13.172  149.642   20.910 4.216522 24.71286 
1 1 1    8   -2   33 o  175.143   21.189  410.300   90.788   0.0000   0.0000  410.300   90.788  ?   ?   175.143   21.189 0.000000 21.18895 
1 1 1    8   -2   34 o  127.396   13.894  211.063   43.484  211.063   43.484   0.0000   0.0000  127.396   13.894  ?   ?  0.000000 13.89395 
1 1 1    8   -2   35 o  160.237   18.997  346.353   74.536  346.353   74.536   0.0000   0.0000  160.237   18.997  ?   ?  0.000000 18.99743 
1 1 1    8   -2   36 o  101.872   13.305  136.693   33.038  170.654   38.792   47.002   63.041  113.715   13.953   65.798   25.980 47.91728 29.48979 
1 1 1    8   -2   37 o   45.275   16.580   23.405   24.490   27.288   28.072   11.039   50.101   48.447   17.749   51.627   22.025 -3.179432 28.28662 
1 1 1    8   -2   38 o   59.250   17.516   48.815   27.724   46.869   32.097   54.535   55.020   58.501   19.104   65.097   24.651 -6.596413 31.18663 
1 1 1    8   -2   39 o  166.743   12.518  366.512   51.744  401.611   62.765  292.049   91.419  172.913   14.674  135.496   27.946 37.41751 31.56477 
1 1 1    8   -2   40 o   56.565   18.948   44.818   31.514   41.178   37.555   53.480   57.937   55.831   20.518   63.523   24.962 -7.692207 32.31234 
1 1 1    8   -1    0 o   96.603   8.1224  117.523   19.412  113.313   27.417  121.756   27.489   94.368   11.899   97.936   11.456 -3.568741 16.51774 
1 1 1    8   -1    1 o  186.836   8.6549  436.597   40.381  443.314   57.169  429.910   57.045  187.711   12.264  184.820   12.432 2.891235 17.46300 
1 1 1    8   -1    2 o  506.721   16.146  3223.88  204.305  3406.01  289.253  3042.55  288.611  519.530   22.295  490.729   23.552 28.80087 32.43092 
1 1 1    8   -1    3 o   68.822   9.0755   60.261   15.217   47.176   21.610   73.128   21.431   60.147   14.547   75.541   11.742 -15.39372 18.69457 
1 1 1    8   -1    4 o  294.742   10.874  1087.02   80.037  1105.92  113.282  1068.17  113.097  296.586   15.348  291.436   15.597 5.150879 21.88189 
1 1 1    8   -1    5 o  234.093   9.6818  685.283   56.597  702.682   80.124  667.956   79.957  236.477   13.626  230.504   13.957 5.973541 19.50522 
1 1 1    8   -1    6 o  543.282   17.342  3702.21  235.279  3620.81  332.661  3783.68  332.808  535.987   24.854  548.018   24.319 -12.03101 34.77269 
1 1 1    8   -1    7 o  222.217   9.4082  617.340   52.208  629.449   74.073  605.387   73.596  223.852   13.311  219.498   13.492 4.353500 18.95310 
1 1 1    8   -1    8 o  770.661   33.861  7531.06  651.648  7467.50  921.614  7594.62  921.525  759.730   48.837  766.434   48.397 -6.703735 68.75523 
1 1 1    8   -1    9 f  615.117   27.479  4771.11  422.090  4808.72  597.160  4733.56  596.690  613.261   39.199  608.322   39.493 4.939270 55.64386 
1 1 1    8   -1   10 o  601.309   18.624  4534.83  279.647  4245.51  395.129  4825.17  395.832  580.331   27.265  619.029   25.606 -38.69879 37.40446 
1 1 1    8   -1   11 o  140.340   8.5726  247.066   29.899  248.729   42.623  245.456   41.952  140.470   12.274  139.548   12.160 0.9222717 17.27787 
1 1 1    8   -1   12 o  254.119   10.219  807.430   64.847  843.163   91.693  771.674   91.722  259.124   14.225  247.791   14.892 11.33315 20.59420 
1 1 1    8   -1   13 o  404.317   13.532  2046.39  136.630  1962.54  193.138  2130.38  193.309  395.392   19.561  412.038   18.787 -16.64587 27.12182 
1 1 1    8   -1   14 f  819.732   25.120  8471.00  514.213  8179.44  726.823  8763.17  727.592  801.336   36.321  829.978   35.105 -28.64191 50.51354 
1 1 1    8   -1   15 o  439.961   14.533  2425.55  159.673  2307.58  225.487  2544.21  226.137  428.280   21.084  449.853   20.130 -21.57291 29.15039 
1 1 1    8   -1   16 o  345.902   16.989  1502.39  146.748  1403.81  206.612  1602.76  208.468  332.350   25.080  355.581   23.612 -23.23083 34.44552 
1 1 1    8   -1   17 o  562.243   17.972  3976.16  252.329  3916.77  356.439  4035.82  357.258  555.911   25.676  564.402   25.348 -8.491943 36.08020 
1 1 1    8   -1   18 o  285.738   10.638  1022.52   75.905  961.201  106.524  1085.77  108.186  276.141   15.511  293.662   14.800 -17.52048 21.43897 
1 1 1    8   -1   19 o  421.240   14.052  2229.28  147.810  2223.00  208.324  2235.64  209.752  419.350   19.894  420.520   19.974 -1.169708 28.19078 
1 1 1    8   -1   20 o  125.487   8.7692  198.126   27.307  211.762   36.535  180.869   41.102  129.424   11.422  119.110   14.092 10.31375 18.13904 
1 1 1    8   -1   21 f  412.010   14.012  2137.16  144.167  2200.10  202.950  2073.06  204.829  416.419   19.517  403.436   20.398 12.98294 28.23052 
1 1 1    8   -1   22 o  231.567   14.042  678.221   80.819  699.530  114.058  656.733  114.535  233.759   19.723  226.222   20.497 7.537094 28.44548 
1 1 1    8   -1   23 o  258.691   11.686  841.466   75.491  862.997   92.047  797.227  131.941  261.179   14.166  248.894   21.437 12.28555 25.69514 
1 1 1    8   -1   24 o   99.399   9.4827  125.082   23.252  125.653   28.917  124.036   39.114   99.238   11.906   97.630   16.640 1.608315 20.46097 
1 1 1    8   -1   25 o  110.644   9.6078  154.805   26.283  159.683   32.806  146.063   43.917  112.016   11.911  105.977   17.183 6.038773 20.90747 
1 1 1    8   -1   26 f  105.253   9.8881  140.335   25.685  136.325   31.446  148.374   44.519  103.289   12.442  106.773   17.288 -3.483551 21.29967 
1 1 1    8   -1   27 o   37.480   13.179   15.609   15.295   14.250   16.935   21.619   35.622   37.546   13.782   50.800   19.683 -13.25312 24.02780 
1 1 1    8   -1   28 o  239.640   20.179  740.753  119.632  740.753  119.632   0.0000   0.0000  239.640   20.179  ?   ?  0.000000 20.17887 
1 1 1    8   -1   29 o   54.558   14.080   39.081   19.312   37.010   21.711   46.929   42.267   53.418   15.418   63.173   21.925 -9.754559 26.80349 
1 1 1    8   -1   30 o  165.267   10.887  345.473   44.680  379.543   53.575  267.651   80.971  172.918   12.491  141.814   23.701 31.10402 26.79099 
1 1 1    8   -1   31 o  133.585   10.903  226.447   36.054  238.699   42.856  196.772   66.696  136.796   12.690  121.177   22.879 15.61955 26.16302 
1 1 1    8   -1   32 o   88.156   17.515  103.129   37.200  122.736   51.825   82.289   53.428   95.140   22.216   78.789   24.530 16.35045 33.09516 
1 1 1    8   -1   33 o   76.380   19.091   78.747   36.312  134.144   52.069   26.293   50.666   99.290   21.613   58.058   23.174 41.23187 31.68891 
1 1 1    8   -1   34 o  117.468   11.726  177.204   33.938  179.056   40.196  172.607   63.335  117.413   13.984  111.628   23.466 5.785263 27.31648 
1 1 1    8   -1   35 o  114.291   11.974  168.679   33.667  202.602   40.126   88.012   61.877  124.998   13.047   79.892   26.546 45.10675 29.57878 
1 1 1    8   -1   36 o  144.810   11.614  270.453   41.646  304.733   50.124  194.026   74.841  153.054   13.245  114.944   26.601 38.11018 29.71570 
1 1 1    8   -1   37 o   74.827   21.207   79.617   41.438   79.617   41.438   0.0000   0.0000   74.827   21.207  ?   ?  0.000000 21.20657 
1 1 1    8   -1   38 o   45.379   16.867   22.871   25.508   32.906   29.596  -6.1111   50.298   51.524   18.309   47.606   21.146 3.918171 27.97122 
1 1 1    8   -1   39 o   97.023   14.674  127.138   34.443  130.676   40.857  118.447   64.035   96.913   17.527   87.107   26.811 9.806541 32.03225 
1 1 1    8   -1   40 o   68.769   18.026   67.777   31.332   62.410   37.186   80.914   58.176   65.582   20.472   73.091   25.702 -7.509201 32.85905 
1 1 1    8   -1   41 o  110.173   20.264  178.727   53.696  238.182   79.603  129.086   72.737  120.670   27.082   86.514   28.783 34.15632 39.52047 
1 1 1    8    0    0 o  550.049   17.119  3805.35  235.140  3874.98  332.674  3735.83  332.403  553.090   24.086  542.929   24.517 10.16156 34.36934 
1 1 1    8    0    1 o  626.856   19.719  4952.95  308.674  4971.44  436.543  4934.46  436.518  625.057   27.968  622.683   28.073 2.373352 39.62667 
1 1 1    8    0    2 o  208.794   9.0703  545.364   47.292  551.234   66.888  539.497   66.874  209.322   12.858  207.056   13.000 2.266449 18.28468 
1 1 1    8    0    3 o  300.341   11.108  1129.31   83.308  1131.10  117.821  1127.52  117.811  299.760   15.795  299.279   15.820 0.4806213 22.35545 
1 1 1    8    0    4 o  199.630   9.0247  498.400   44.989  510.090   63.712  486.774   63.537  201.398   12.734  196.690   13.009 4.707321 18.20409 
1 1 1    8    0    5 o  643.997   20.100  5215.93  323.242  5259.70  457.196  5172.19  457.071  644.379   28.413  638.920   28.647 5.458862 40.34789 
1 1 1    8    0    6 o  900.858   27.499 10257.59  618.621 10327.22  874.966 10187.98  874.759  898.404   39.000  892.182   39.263 6.222839 55.34094 
1 1 1    8    0    7 o  488.666   15.823  2992.75  193.092  2975.92  273.106  3009.58  273.040  486.365   22.486  489.129   22.354 -2.764740 31.70694 
1 1 1    8    0    8 o  274.732   10.504  943.866   72.063  978.025  102.099  909.954  101.729  279.069   14.703  269.099   15.201 9.969147 21.14765 
1 1 1    8    0    9 o  397.251   19.044  1979.92  188.922   0.0000   0.0000  1979.92  188.922  ?   ?   397.251   19.044 0.000000 19.04435 
1 1 1    8    0   10 o  434.481   29.421  2394.03  317.326  2394.03  317.326   0.0000   0.0000  434.481   29.421  ?   ?  0.000000 29.42059 
1 1 1    8    0   11 o  136.640   12.240  235.432   41.321  220.940   58.628  249.736   58.248  131.484   18.356  140.152   16.990 -8.667282 25.01237 
1 1 1    8    0   12 o  498.825   16.117  3117.33  200.757  3156.38  284.067  3078.37  283.760  501.108   22.701  494.839   22.963 6.269806 32.28997 
1 1 1    8    0   13 o  190.449   9.0716  453.377   43.143  500.280   61.034  406.537   60.993  199.587   12.306  179.697   13.695 19.89043 18.41180 
1 1 1    8    0   14 o  404.797   13.541  2051.32  136.878  1966.14  193.504  2136.63  193.646  395.738   19.581  412.628   18.793 -16.89023 27.14024 
1 1 1    8    0   15 o  198.708   9.1092  493.646   45.201  527.618   63.790  459.388   64.058  204.933   12.525  191.067   13.513 13.86624 18.42486 
1 1 1    8    0   16 o  101.775   8.5960  130.421   21.642  137.585   29.926  122.566   31.337  104.195   11.704   98.065   13.126 6.130608 17.58586 
1 1 1    8    0   17 o  190.368   9.4105  453.312   44.736  524.641   62.856  380.090   63.684  204.292   12.379  173.456   14.846 30.83554 19.32981 
1 1 1    8    0   18 o  284.629   14.571  1019.29  103.223  890.585  144.199  1154.56  147.827  264.659   22.018  302.062   19.706 -37.40317 29.54863 
1 1 1    8    0   19 o  182.291   8.9457  415.839   40.722  404.441   56.253  428.389   59.026  179.133   12.657  184.353   12.903 -5.219910 18.07427 
1 1 1    8    0   20 o  167.506   8.7164  352.155   36.334  329.010   49.720  378.681   53.227  161.446   12.428  173.278   12.383 -11.83167 17.54379 
1 1 1    8    0   21 f  397.860   13.914  1991.15  138.241  2090.77  194.731  1889.93  196.281  406.338   19.191  385.446   20.466 20.89258 28.05592 
1 1 1    8    0   22 o  373.960   12.908  1758.88  120.543  1768.25  169.320  1749.25  171.650  373.632   18.147  371.515   18.502 2.117676 25.91615 
1 1 1    8    0   23 o  254.753   10.565  814.720   67.208  876.734   93.256  747.700   96.946  263.320   14.235  242.676   16.089 20.64336 21.48214 
1 1 1    8    0   24 o   86.672   13.988   97.079   29.244   89.784   40.452  105.066   42.325   82.345   19.895   89.176   19.546 -6.830788 27.88972 
1 1 1    8    0   25 o   99.525   10.177  125.656   24.938  144.506   31.073   91.545   41.801  106.522   11.884   83.072   20.318 23.45020 23.53860 
1 1 1    8    0   26 o  224.242   10.113  631.543   56.631  657.285   75.957  599.324   84.976  227.880   13.407  216.988   15.791 10.89232 20.71443 
1 1 1    8    0   27 o  168.665   9.8921  358.472   41.482  383.794   53.495  320.284   65.695  174.102   12.385  157.966   16.917 16.13583 20.96613 
1 1 1    8    0   28 o  271.291   12.692  928.121   85.985  1025.58  104.890  728.441  150.137  284.298   14.826  235.427   25.970 48.87173 29.90381 
1 1 1    8    0   29 o  178.576   17.928  410.297   78.868  410.297   78.868   0.0000   0.0000  178.576   17.928  ?   ?  0.000000 17.92781 
1 1 1    8    0   30 o  255.219   12.556  822.182   80.020  883.346   97.312  694.463  140.619  263.578   14.845  229.781   24.905 33.79739 28.99375 
1 1 1    8    0   31 o   73.650   13.178   70.616   23.348   55.327   26.739  119.684   47.902   64.681   16.501   94.626   20.836 -29.94511 26.57845 
1 1 1    8    0   32 o  101.003   12.087  130.734   29.881  139.274   35.368  109.435   55.854  103.861   13.993   89.831   24.308 14.02939 28.04757 
1 1 1    8    0   33 o   74.297   15.502   73.085   27.831   73.085   27.831   0.0000   0.0000   74.297   15.502  ?   ?  0.000000 15.50159 
1 1 1    8    0   34 o  147.583   14.449  281.302   52.569  303.028   74.155  259.352   74.534  150.963   20.175  138.564   22.297 12.39835 30.06971 
1 1 1    8    0   35 o   94.827   12.841  116.912   29.625  121.527   34.876  104.955   56.143   96.042   15.035   86.551   24.738 9.491386 28.94864 
1 1 1    8    0   36 o  304.447   13.704  1195.75  104.185  1302.37  127.403  980.536  181.015  315.336   16.234  261.610   28.151 53.72589 32.49686 
1 1 1    8    0   37 o   86.901   14.059  100.337   29.467  110.077   34.974   76.505   54.707   90.332   16.094   74.202   24.964 16.13034 29.70256 
1 1 1    8    0   38 o  101.224   21.338  145.829   52.237  145.829   52.237   0.0000   0.0000  101.224   21.338  ?   ?  0.000000 21.33789 
1 1 1    8    0   39 o   79.933   16.463   88.108   31.767   92.457   37.515   77.087   59.721   80.869   18.914   73.487   26.020 7.381790 32.16809 
1 1 1    8    0   40 o  133.597   12.922  235.882   42.573  253.604   51.287  196.611   76.346  137.137   15.234  111.502   27.573 25.63499 31.50172 
1 1 1    8    0   41 o  110.240   14.879  165.566   39.913  177.592   48.132  139.092   71.416  112.359   17.744   91.423   28.343 20.93542 33.43927 
1 1 1    8    0   42 o   48.678   20.635   15.808   43.488  -2.6176   64.066   31.552   59.222   51.649   23.329   57.412   24.194 -5.763432 33.60952 
1 1 1    8    1    0 o  391.054   13.008  1917.71  127.030  1892.35  179.645  1943.08  179.650  387.588   18.561  392.794   18.315 -5.206207 26.07572 
1 1 1    8    1    1 o  336.831   11.754  1421.56   98.863  1411.57  139.800  1431.54  139.826  335.050   16.709  337.427   16.594 -2.377228 23.54900 
1 1 1    8    1    2 f  585.857   18.495  4321.65  270.576  4326.74  382.658  4316.56  382.647  583.731   26.251  583.032   26.282 0.6985474 37.14639 
1 1 1    8    1    3 o  795.178   24.547  8005.54  487.430  8236.06  689.622  7775.40  689.038  801.186   34.469  777.840   35.473 23.34637 49.46172 
1 1 1    8    1    4 o  512.675   16.490  3300.90  211.118  3415.39  298.729  3186.66  298.402  520.066   23.002  502.151   23.797 17.91486 33.09657 
1 1 1    8    1    5 o  343.661   12.104  1478.83  103.877  1536.34  147.047  1421.54  146.763  349.814   16.833  335.961   17.554 13.85330 24.32107 
1 1 1    8    1    6 o  289.767   10.865  1050.53   78.616  1074.00  111.289  1027.15  111.071  292.297   15.300  285.790   15.622 6.506134 21.86664 
1 1 1    8    1    7 o  286.757   10.800  1028.59   77.339  998.632  109.412  1058.52  109.336  281.842   15.606  290.251   15.137 -8.408997 21.74163 
1 1 1    8    1    8 o  837.964   29.337  8877.32  613.886 10009.24  1065.48  8314.86  751.080  879.058   48.728  807.937   37.227 71.12183 61.32114 
1 1 1    8    1    9 o  480.850   22.163  2906.33  266.126  2906.33  266.126   0.0000   0.0000  480.850   22.163  ?   ?  0.000000 22.16292 
1 1 1    8    1   10 o  311.395   11.078  1212.66   86.144  1261.54  122.014  1164.09  121.638  317.372   15.395  304.407   16.058 12.96509 22.24613 
1 1 1    8    1   11 o  807.079   24.640  8196.28  496.604  8136.51  702.304  8256.05  702.305  800.953   35.113  806.907   34.854 -5.954285 49.47439 
1 1 1    8    1   12 o  364.438   14.578  1662.82  132.670  1642.32  230.363  1673.00  162.285  360.250   25.777  365.309   17.790 -5.058899 31.31998 
1 1 1    8    1   13 o  621.252   27.717  4867.35  429.992  4957.31  608.198  4777.45  608.004  622.684   39.315  610.963   40.073 11.72150 56.13869 
1 1 1    8    1   14 o  283.945   10.734  1008.26   76.109  1001.15  107.661  1015.36  107.606  282.299   15.330  284.315   15.211 -2.015930 21.59577 
1 1 1    8    1   15 o  362.111   12.492  1640.95  112.956  1625.08  159.667  1656.85  159.820  359.935   17.764  363.452   17.609 -3.516327 25.01273 
1 1 1    8    1   16 o  407.538   13.734  2080.09  139.770  2027.33  197.494  2133.04  197.838  401.690   19.688  412.090   19.225 -10.40009 27.51790 
1 1 1    8    1   17 o  149.085   8.6233  278.826   31.967  301.295   44.692  255.289   45.742  154.710   11.654  142.174   13.029 12.53546 17.48014 
1 1 1    8    1   18 o  155.548   8.9618  303.627   34.663  328.230   48.336  277.579   49.736  161.433   12.078  148.190   13.591 13.24303 18.18241 
1 1 1    8    1   19 o  156.472   9.2041  307.411   35.806  373.219   49.763  236.765   51.560  172.206   11.640  136.443   15.402 35.76215 19.30581 
1 1 1    8    1   20 f  209.487   13.573  553.214   70.623  577.590   96.957  525.665  103.076  213.244   18.387  202.897   20.631 10.34619 27.63547 
1 1 1    8    1   21 o  522.855   16.818  3447.09  219.593  3413.79  309.919  3480.66  311.188  517.718   23.972  522.823   23.835 -5.104736 33.80487 
1 1 1    8    1   22 o  347.444   12.291  1516.45  106.644  1533.11  149.727  1499.29  151.932  348.336   17.213  343.904   17.752 4.431976 24.72676 
1 1 1    8    1   23 o  369.850   13.171  1721.40  121.644  1744.74  170.841  1697.39  173.246  370.959   18.442  365.231   19.061 5.728821 26.52271 
1 1 1    8    1   24 o  418.621   14.118  2209.68  147.589  2269.59  207.405  2148.22  210.064  422.321   19.666  410.543   20.490 11.77728 28.40086 
1 1 1    8    1   25 o  253.243   9.8748  804.857   62.448  773.953   85.408  840.358   91.539  247.340   13.884  257.668   14.282 -10.32787 19.91854 
1 1 1    8    1   26 o  146.930   12.848  274.023   46.666  290.784   65.265  256.489   66.752  150.324   17.727  140.594   19.541 9.729507 26.38389 
1 1 1    8    1   27 o  252.999   11.112  804.877   70.201  871.797   95.070  724.640  104.101  262.252   14.574  238.172   17.628 24.07980 22.87293 
1 1 1    8    1   28 o  186.838   10.728  440.263   49.845  482.177   60.327  350.090   88.486  195.233   12.439  163.704   22.219 31.52887 25.46421 
1 1 1    8    1   29 o  181.973   10.919  417.987   49.389  454.909   59.664  337.611   88.029  189.520   12.680  160.495   22.589 29.02515 25.90462 
1 1 1    8    1   30 o  374.031   15.373  1773.91  143.586  1961.64  175.703  1396.48  249.133  392.242   17.938  322.988   31.280 69.25330 36.05856 
1 1 1    8    1   31 o  131.394   17.289  223.614   55.350  223.614   55.350   0.0000   0.0000  131.394   17.289  ?   ?  0.000000 17.28884 
1 1 1    8    1   32 o   54.857   21.445   24.827   42.579   0.0000   0.0000   24.827   42.579  ?   ?    54.857   21.445 0.000000 21.44502 
1 1 1    8    1   33 o  111.148   12.056  158.024   32.925  197.141   38.641   54.375   62.899  124.150   12.640   71.014   26.468 53.13604 29.33148 
1 1 1    8    1   34 o  115.109   11.708  169.534   33.186  204.696   39.610   86.725   60.786  126.335   12.729   80.907   26.283 45.42792 29.20311 
1 1 1    8    1   35 o  137.460   14.683  245.021   49.621  211.769   69.971  278.663   70.380  124.220   23.415  144.520   20.041 -20.29914 30.82076 
1 1 1    8    1   36 o  200.617   11.863  515.267   59.166  567.923   72.022  405.977  103.760  209.739   13.829  170.841   25.067 38.89796 28.62840 
1 1 1    8    1   37 o   98.271   12.988  126.316   31.093  122.240   36.818  136.451   58.057   95.572   15.992   97.641   23.984 -2.068336 28.82696 
1 1 1    8    1   38 o  165.054   11.673  351.819   47.803  399.914   58.077  250.780   84.177  175.134   13.381  130.320   26.762 44.81424 29.92092 
1 1 1    8    1   39 o  133.547   12.255  232.570   40.415  272.300   48.623  143.778   72.689  143.848   13.701   96.423   28.322 47.42552 31.46222 
1 1 1    8    1   40 o  166.709   21.246  393.689   86.439  393.689   86.439   0.0000   0.0000  166.709   21.246  ?   ?  0.000000 21.24634 
1 1 1    8    1   41 o  105.694   14.638  151.019   37.598  190.805   45.517   65.575   66.703  118.285   15.805   69.550   26.938 48.73454 31.23188 
1 1 1    8    1   42 o  125.577   14.148  213.180   43.594  280.277   53.562   81.504   75.034  143.354   15.194   73.328   28.523 70.02556 32.31725 
1 1 1    8    2    0 o  100.685   7.9582  127.574   19.846  130.776   28.126  124.398   28.008  101.554   11.281   98.978   11.549 2.576103 16.14438 
1 1 1    8    2    1 o  543.894   17.358  3722.42  235.760  3736.48  333.445  3708.36  333.385  542.806   24.600  540.729   24.690 2.076721 34.85288 
1 1 1    8    2    2 o  755.345   19.105  7189.45  360.369  8591.07  511.427  5807.26  507.870  823.085   24.882  674.285   30.162 148.8001 39.10063 
1 1 1    8    2    3 o  403.547   13.603  2042.44  137.082  1986.72  193.771  2098.27  193.956  397.062   19.542  408.154   19.029 -11.09201 27.27688 
1 1 1    8    2    4 o  465.045   15.242  2714.43  177.001  2763.99  250.403  2664.94  250.231  468.083   21.422  459.534   21.806 8.548737 30.56808 
1 1 1    8    2    5 o  524.001   16.833  3448.38  220.259  3470.19  311.548  3426.59  311.439  524.135   23.803  520.795   23.947 3.339966 33.76466 
1 1 1    8    2    6 o  598.131   18.850  4496.50  281.546  4612.48  398.391  4380.78  397.942  603.888   26.418  588.332   27.086 15.55579 37.83622 
1 1 1    8    2    7 o  350.345   12.189  1536.33  106.638  1520.05  150.839  1552.59  150.779  348.044   17.355  351.768   17.165 -3.724701 24.40951 
1 1 1    8    2    8 o  476.124   15.460  2840.74  183.812  2957.66  260.220  2724.31  259.680  485.008   21.485  465.349   22.346 19.65875 30.99971 
1 1 1    8    2    9 o  406.182   13.605  2065.34  137.995  2127.33  195.273  2003.50  195.035  411.726   18.993  399.503   19.550 12.22253 27.25639 
1 1 1    8    2   10 o  369.447   12.781  1707.92  117.913  1692.16  166.748  1723.69  166.760  367.330   18.178  370.752   18.012 -3.421661 25.59049 
1 1 1    8    2   11 o  188.295   8.7491  443.124   41.139  449.942   58.458  436.434   57.904  189.237   12.440  186.355   12.515 2.882156 17.64615 
1 1 1    8    2   12 o  454.471   14.848  2586.10  168.510  2606.82  238.458  2565.43  238.162  455.659   20.957  452.011   21.100 3.648315 29.73836 
1 1 1    8    2   13 o  573.308   18.198  4121.29  260.529  4033.14  368.445  4209.44  368.443  565.888   26.073  578.229   25.516 -12.34088 36.48135 
1 1 1    8    2   14 o  462.899   17.427  2686.16  201.441  2767.86  349.503  2645.52  246.503  467.100   30.124  458.905   21.510 8.195221 37.01559 
1 1 1    8    2   15 o  535.708   24.342  3612.91  325.634  3516.69  460.469  3709.16  460.563  525.026   35.327  539.568   34.360 -14.54114 49.28092 
1 1 1    8    2   16 o  804.250   24.730  8151.23  496.676  8026.48  702.256  8276.08  702.556  794.240   35.407  806.721   34.874 -12.48035 49.69809 
1 1 1    8    2   17 o  388.775   13.240  1892.85  128.540  1898.35  181.629  1887.34  181.938  388.760   18.709  387.620   18.796 1.139404 26.52024 
1 1 1    8    2   18 o  168.210   9.0561  354.882   37.900  418.040   53.152  289.555   54.057  182.354   11.734  151.285   14.486 31.06886 18.64245 
1 1 1    8    2   19 o  408.404   13.714  2091.62  139.861  2081.11  197.438  2102.20  198.150  406.488   19.451  408.547   19.422 -2.059204 27.48733 
1 1 1    8    2   20 o  121.255   8.4723  184.828   25.493  180.770   34.353  189.801   38.030  119.543   11.656  122.387   12.625 -2.844368 17.18292 
1 1 1    8    2   21 o  385.010   19.400  1877.55  185.920  2027.90  261.367  1723.55  264.524  397.779   26.463  365.530   29.224 32.24872 39.42507 
1 1 1    8    2   22 o  502.188   21.884  3204.81  274.440  2791.77  385.156  3630.80  391.148  462.208   33.599  529.912   29.678 -67.70386 44.82970 
1 1 1    8    2   23 o  502.137   16.281  3183.58  204.150  3202.20  287.861  3164.75  289.569  500.834   23.016  497.763   23.296 3.071136 32.74835 
1 1 1    8    2   24 o  198.411   9.8244  493.761   48.677  521.745   66.698  461.870   71.202  203.167   13.218  190.741   15.071 12.42577 20.04662 
1 1 1    8    2   25 o  188.304   9.5528  445.894   44.773  445.515   60.429  446.355   66.666  187.665   12.974  187.573   14.341 0.9188843E-01 19.33930 
1 1 1    8    2   26 o  249.169   10.500  779.732   65.332  796.141   89.083  760.637   96.102  250.763   14.285  244.709   15.811 6.054428 21.30845 
1 1 1    8    2   27 o  111.917   13.205  160.027   36.193  184.617   50.653  134.378   51.733  119.387   17.511  100.689   21.243 18.69767 27.52973 
1 1 1    8    2   28 o  103.320   10.576  135.516   26.903  142.493   31.837  118.093   50.311  105.676   12.294   94.164   21.822 11.51216 25.04711 
1 1 1    8    2   29 o  207.551   11.425  543.650   58.986  612.213   71.678  399.807  103.822  219.928   13.111  174.328   24.527 45.60048 27.81168 
1 1 1    8    2   30 o  252.184   12.266  801.547   77.242  825.650   93.982  751.374  135.596  254.988   14.823  240.432   22.859 14.55670 27.24487 
1 1 1    8    2   31 o  114.601   11.082  166.822   31.317  171.638   37.070  154.819   58.531  115.887   13.036  107.690   22.491 8.196335 25.99539 
1 1 1    8    2   32 o  100.987   18.200  134.096   44.210  134.096   44.210   0.0000   0.0000  100.987   18.200  ?   ?  0.000000 18.20039 
1 1 1    8    2   33 o   69.854   14.153   64.076   23.843   64.918   27.204   61.288   49.520   70.037   15.916   70.345   23.751 -0.3079910 28.59061 
1 1 1    8    2   34 o   70.121   14.475   64.831   24.506   78.377   28.501   26.413   47.999   77.073   15.348   57.345   22.661 19.72789 27.36900 
1 1 1    8    2   35 o  123.012   11.664  193.544   35.403  218.686   42.330  135.028   64.579  130.414   13.179   98.438   25.915 31.97578 29.07397 
1 1 1    8    2   36 o   93.492   12.868  113.586   29.247  116.804   34.412  105.215   55.499   94.155   15.150   86.850   24.517 7.304939 28.82030 
1 1 1    8    2   37 o  125.467   15.380  206.996   47.178  275.323   67.129  140.314   66.317  143.057   19.282   98.588   26.407 44.46881 32.69763 
1 1 1    8    2   38 o  134.189   11.953  232.852   39.636  273.753   47.947  144.583   70.437  144.964   13.397   98.643   27.541 46.32190 30.62643 
1 1 1    8    2   39 o  128.752   12.233  215.695   38.859  245.175   46.743  149.728   69.921  136.564   13.900   99.548   27.306 37.01553 30.64017 
1 1 1    8    2   40 o   84.418   15.883   97.165   32.253  128.300   38.726   26.666   58.273   96.970   16.589   58.531   24.283 38.43929 29.40835 
1 1 1    8    2   41 o  168.120   22.005  405.402   90.163  405.402   90.163   0.0000   0.0000  168.120   22.005  ?   ?  0.000000 22.00455 
1 1 1    8    2   42 o   99.096   15.882  135.166   37.974  150.049   45.997  103.310   67.294  102.846   18.594   80.609   27.682 22.23721 33.34755 
1 1 1    8    2   43 o  108.678   16.039  164.231   42.219  176.668   51.513  138.781   73.688  110.320   19.407   89.728   28.918 20.59153 34.82701 
1 1 1    8    3    0 o  415.494   13.353  2165.47  138.550  2149.69  195.923  2181.25  195.955  413.006   18.997  416.055   18.861 -3.048370 26.76929 
1 1 1    8    3    1 o  152.449   8.2462  291.541   31.276  301.185   44.339  281.989   44.124  154.617   11.567  149.537   11.915 5.079422 16.60641 
1 1 1    8    3    2 o  696.961   21.745  6137.99  378.452  6205.06  535.315  6070.96  535.109  696.625   30.772  688.879   31.106 7.745483 43.75540 
1 1 1    8    3    3 o  573.273   18.201  4136.90  260.562  4168.93  368.547  4104.88  368.433  573.168   25.749  568.679   25.944 4.489258 36.55291 
1 1 1    8    3    4 o  399.175   13.510  1997.94  134.669  2009.20  190.494  1986.69  190.407  399.458   19.097  397.197   19.197 2.261108 27.07763 
1 1 1    8    3    5 o  814.125   25.130  8387.25  510.903  8363.19  722.521  8411.32  722.531  807.426   35.834  809.809   35.729 -2.383118 50.60299 
1 1 1    8    3    6 o  399.441   13.515  1999.22  134.805  2009.00  190.727  1989.46  190.559  399.713   19.108  397.753   19.185 1.959381 27.07728 
1 1 1    8    3    7 o  340.685   17.154  1460.19  145.474   0.0000   0.0000  1460.19  145.474  ?   ?   340.685   17.154 0.000000 17.15438 
1 1 1    8    3    8 o  503.666   23.111  3193.81  290.673  3193.81  290.673   0.0000   0.0000  503.666   23.111  ?   ?  0.000000 23.11063 
1 1 1    8    3    9 o  538.849   17.203  3640.89  231.491  3642.77  327.442  3639.01  327.314  537.835   24.380  537.557   24.383 0.2783813 34.48076 
1 1 1    8    3   10 o  605.593   19.065  4601.65  288.313  4602.64  407.770  4600.66  407.701  604.166   27.028  604.036   27.029 0.1301270 38.22377 
1 1 1    8    3   11 f  719.610   22.260  6507.15  400.017  6500.85  565.738  6513.44  565.682  716.947   31.599  717.651   31.565 -0.7041016 44.66407 
1 1 1    8    3   12 o  322.680   11.606  1302.29   93.516  1282.44  132.414  1322.03  132.090  319.495   16.654  324.437   16.356 -4.941956 23.34313 
1 1 1    8    3   13 o  315.389   11.318  1243.99   89.139  1295.54  126.322  1192.87  125.804  321.615   15.729  308.133   16.409 13.48215 22.72957 
1 1 1    8    3   14 f  634.940   19.853  5059.30  314.783  5146.34  445.334  4972.39  445.006  638.800   27.917  627.805   28.385 10.99500 39.81300 
1 1 1    8    3   15 o  252.313   9.8641  795.921   62.151  845.698   88.160  746.740   87.631  259.571   13.649  243.785   14.459 15.78618 19.88366 
1 1 1    8    3   16 o  200.103   9.3086  500.578   46.515  573.006   81.638  465.763   56.601  213.306   15.430  192.584   11.827 20.72200 19.44133 
1 1 1    8    3   17 o  693.204   30.660  6090.12  530.739  5845.12  750.223  6335.59  750.933  672.064   44.962  700.778   43.120 -28.71472 62.29699 
1 1 1    8    3   18 o  357.049   12.580  1596.38  112.162  1629.58  158.493  1563.08  158.750  360.241   17.618  352.302   18.106 7.938538 25.26322 
1 1 1    8    3   19 o  591.829   18.775  4406.23  277.478  4564.41  392.370  4247.98  392.456  600.248   26.177  578.750   27.155 21.49731 37.71749 
1 1 1    8    3   20 o   95.900   8.8669  116.034   20.994  136.052   28.304   91.550   31.302  103.638   11.110   84.070   15.481 19.56801 19.05447 
1 1 1    8    3   21 o  515.750   16.700  3348.29  215.089  3379.77  303.754  3316.62  304.611  516.105   23.569  511.158   23.864 4.947296 33.54041 
1 1 1    8    3   22 o  233.843   10.114  685.154   59.059  704.984   82.405  664.212   84.685  236.416   14.021  229.307   14.869 7.109192 20.43703 
1 1 1    8    3   23 o  342.965   18.429  1492.46  157.259  1686.43  220.199  1290.55  224.664  362.486   24.469  315.165   28.867 47.32126 37.84224 
1 1 1    8    3   24 o  484.762   15.811  2966.67  191.401  2965.84  269.793  2967.52  271.580  482.032   22.413  482.101   22.558 -0.6857300E-01 31.79998 
1 1 1    8    3   25 o  447.623   15.012  2528.97  167.804  2601.92  236.076  2454.48  238.565  451.745   20.927  438.376   21.793 13.36877 30.21349 
1 1 1    8    3   26 o  313.962   12.330  1240.34   96.670  1358.71  134.760  1114.86  138.751  327.191   16.547  295.555   18.898 31.63666 25.11889 
1 1 1    8    3   27 o  114.220   9.9261  164.970   28.030  197.212   35.443  111.130   45.801  124.716   11.510   91.573   20.536 33.14298 23.54141 
1 1 1    8    3   28 o  171.381   10.442  370.301   44.474  370.586   53.777  369.685   79.109  171.058   12.680  169.370   19.034 1.687363 22.87049 
1 1 1    8    3   29 o   84.928   14.966   93.814   30.579   89.726   42.170   98.347   44.409   82.195   20.589   86.005   20.886 -3.809326 29.32757 
1 1 1    8    3   30 o  125.228   10.792  198.604   33.420  219.803   39.849  148.341   61.360  131.529   12.274  105.229   23.896 26.30077 26.86382 
1 1 1    8    3   31 o  108.628   21.649  156.667   56.664   0.0000   0.0000  156.667   56.664  ?   ?   108.628   21.649 0.000000 21.64879 
1 1 1    8    3   32 o  171.525   13.118  373.733   55.764  373.733   55.764   0.0000   0.0000  171.525   13.118  ?   ?  0.000000 13.11848 
1 1 1    8    3   33 o  149.383   11.172  282.773   41.374  329.538   49.617  176.047   74.956  161.059   12.433  113.568   26.853 47.49084 29.59141 
1 1 1    8    3   34 o  131.773   18.154  226.795   58.153  226.795   58.153   0.0000   0.0000  131.773   18.154  ?   ?  0.000000 18.15447 
1 1 1    8    3   35 o   42.691   15.293   20.022   20.686   26.328   23.636  -0.6103   42.758   47.402   16.399   46.906   20.187 0.4963951 26.00814 
1 1 1    8    3   36 o  138.559   11.229  245.012   38.521  291.539   46.468  142.796   68.874  150.867   12.445  100.665   26.889 50.20128 29.62951 
1 1 1    8    3   37 o  132.997   11.704  227.033   38.475  291.724   46.346   83.580   69.015  150.632   12.432   79.643   27.995 70.98876 30.63124 
1 1 1    8    3   38 o  136.194   11.975  239.249   40.312  264.447   49.021  186.613   70.850  142.445   13.961  113.926   25.536 28.51951 29.10258 
1 1 1    8    3   39 o  134.956   15.241  240.952   50.463  388.244   73.174  107.371   69.685  170.289   17.454   85.574   28.158 84.71552 33.12885 
1 1 1    8    3   40 f   50.253   17.496   31.392   26.924   44.199   31.889  -0.3998   50.245   57.684   19.052   49.169   21.513 8.514900 28.73589 
1 1 1    8    3   41 o   98.840   14.861  131.337   35.545  145.966   42.818   98.906   63.753  103.107   17.238   81.126   26.945 21.98053 31.98706 
1 1 1    8    3   42 o   61.979   19.160   54.103   32.661   63.420   39.840   35.009   57.033   66.526   21.245   59.547   24.290 6.978779 32.27045 
1 1 1    8    3   43 o  123.707   25.709  239.027   76.826  239.027   76.826   0.0000   0.0000  123.707   25.709  ?   ?  0.000000 25.70856 
1 1 1    8    4    0 o  101.658   6.8427  129.769   17.270  138.239   24.488  121.388   24.358  104.678   9.4707   97.958   10.103 6.720100 13.84761 
1 1 1    8    4    1 o  195.880   8.6560  479.981   42.341  484.180   59.942  475.799   59.816  196.164   12.299  194.442   12.384 1.721954 17.45314 
1 1 1    8    4    2 o  591.601   18.561  4407.87  274.216  4363.73  387.748  4452.02  387.851  586.023   26.496  592.023   26.235 -5.999878 37.28683 
1 1 1    8    4    3 o  366.613   12.323  1684.41  112.817  1722.91  159.639  1646.01  159.456  370.119   17.272  361.705   17.654 8.413513 24.69780 
1 1 1    8    4    4 o  420.590   14.071  2218.88  147.785  2235.41  209.045  2202.36  208.953  421.194   19.875  418.042   20.016 3.152039 28.20742 
1 1 1    8    4    5 o  294.117   10.856  1082.85   79.733  1089.83  112.802  1075.89  112.716  294.288   15.403  292.381   15.493 1.906311 21.84692 
1 1 1    8    4    6 o  223.070   9.3242  622.368   51.940  577.989   73.405  666.866   73.504  214.313   13.789  230.376   12.828 -16.06322 18.83313 
1 1 1    8    4    7 o  469.233   21.680  2772.03  254.036  2627.88  358.868  2916.82  359.654  453.645   31.881  478.559   30.251 -24.91476 43.94930 
1 1 1    8    4    8 o  221.488   9.3595  613.380   51.767  644.339   73.337  582.635   73.083  226.488   13.021  215.265   13.666 11.22360 18.87661 
1 1 1    8    4    9 f  459.683   15.030  2647.15  172.536  2643.86  244.038  2650.44  243.969  458.630   21.308  459.205   21.275 -0.5749512 30.11102 
1 1 1    8    4   10 o  486.378   15.743  2963.79  191.214  3039.42  270.574  2888.33  270.260  491.744   22.034  479.286   22.581 12.45844 31.54978 
1 1 1    8    4   11 o  649.147   20.279  5289.76  328.725  5257.27  464.886  5322.25  464.890  645.387   28.845  649.406   28.667 -4.019226 40.66758 
1 1 1    8    4   12 o  552.065   17.577  3820.36  242.320  3726.74  342.667  3914.00  342.716  544.133   25.218  557.743   24.606 -13.60992 35.23412 
1 1 1    8    4   13 o  232.295   9.5417  674.522   55.350  686.142   78.530  663.052   78.025  233.765   13.510  229.770   13.660 3.995071 19.21256 
1 1 1    8    4   14 o  787.087   24.200  7792.76  475.652  7881.23  672.862  7704.40  672.484  788.651   34.166  779.626   34.542 9.024292 48.58431 
1 1 1    8    4   15 o  569.752   17.994  4070.43  256.016  4141.62  362.293  3999.42  361.829  573.526   25.296  563.516   25.713 10.00977 36.06997 
1 1 1    8    4   16 o  401.098   13.381  2013.75  134.031  2127.98  189.773  1900.05  189.324  411.854   18.452  388.574   19.574 23.28064 26.89998 
1 1 1    8    4   17 o  525.176   16.841  3458.62  220.867  3520.59  312.474  3396.75  312.231  528.752   23.665  519.292   24.078 9.459839 33.76061 
1 1 1    8    4   18 o  233.613   10.547  682.725   61.530  725.440  107.384  661.847   75.076  239.699   18.073  229.519   13.154 10.18031 22.35291 
1 1 1    8    4   19 o  431.700   20.435  2346.30  220.300  2280.31  311.567  2412.27  311.535  422.665   29.708  435.045   28.840 -12.38010 41.40408 
1 1 1    8    4   20 o  357.397   12.458  1600.60  111.185  1633.62  156.969  1567.36  157.510  360.444   17.439  352.540   17.951 7.904785 25.02721 
1 1 1    8    4   21 o  312.661   11.282  1224.81   88.088  1238.87  123.994  1210.47  125.165  313.527   15.889  309.841   16.233 3.686523 22.71519 
1 1 1    8    4   22 o  241.543   10.315  730.935   62.220  780.804   87.107  678.983   88.907  248.896   14.072  231.814   15.447 17.08261 20.89582 
1 1 1    8    4   23 o  164.809   9.5405  341.413   39.097  385.446   53.754  291.955   56.969  174.772   12.397  151.516   15.265 23.25600 19.66448 
1 1 1    8    4   24 o  173.294   8.7977  377.141   37.947  348.774   51.518  410.785   56.105  166.126   12.510  180.362   12.535 -14.23630 17.70945 
1 1 1    8    4   25 o  211.806   15.881  569.736   83.388  738.805  112.797  365.974  123.830  240.558   18.930  165.138   31.171 75.42038 36.46883 
1 1 1    8    4   26 o  424.555   14.717  2274.62  156.029  2345.95  219.230  2201.40  222.115  429.048   20.462  414.657   21.525 14.39124 29.69831 
1 1 1    8    4   27 o  186.954   9.4670  439.545   44.053  443.139   58.734  434.923   66.608  187.199   12.638  185.072   14.529 2.127274 19.25664 
1 1 1    8    4   28 o   85.312   10.568   92.795   22.032   91.939   25.967   94.996   41.628   84.530   12.694   84.661   20.007 -0.1313934 23.69428 
1 1 1    8    4   29 o  145.194   10.474  266.184   37.723  283.750   45.381  226.904   67.860  149.636   12.252  131.576   21.388 18.05992 24.64860 
1 1 1    8    4   30 o  110.197   13.753  155.577   37.021  213.889   52.130   96.247   52.584  128.850   16.587   85.146   23.804 43.70341 29.01323 
1 1 1    8    4   31 o  254.744   15.079  824.239   95.495  892.229  135.059  756.265  135.042  263.147   20.721  241.397   22.667 21.74948 30.71077 
1 1 1    8    4   32 o  322.165   13.966  1312.27  112.359  1402.89  137.184  1127.61  195.838  332.273   16.533  292.568   27.113 39.70435 31.75658 
1 1 1    8    4   33 o  146.371   10.843  271.164   39.352  266.905   46.967  281.196   72.089  144.756   13.136  146.719   20.213 -1.963058 24.10600 
1 1 1    8    4   34 f  175.087   11.199  388.127   48.709  437.613   58.809  280.000   86.930  185.585   12.767  144.411   25.011 41.17398 28.08155 
1 1 1    8    4   35 o  115.759   14.229  172.906   40.267  171.372   51.190  175.395   65.218  113.971   18.630  113.655   23.744 0.3159790 30.18064 
1 1 1    8    4   36 o  121.261   14.110  190.069   41.927  190.069   41.927   0.0000   0.0000  121.261   14.110  ?   ?  0.000000 14.10982 
1 1 1    8    4   37 o   52.555   16.338   35.740   23.711   54.337   27.776 -14.2060   45.521   63.614   17.112   44.746   19.980 18.86772 26.30627 
1 1 1    8    4   38 o  105.223   12.748  143.800   32.812  192.098   39.357   33.716   59.418  121.676   13.163   62.392   25.029 59.28445 28.27871 
1 1 1    8    4   39 o   78.408   15.098   82.497   28.490  102.961   34.067   34.888   51.962   87.423   16.201   59.885   23.605 27.53801 28.63028 
1 1 1    8    4   40 o   91.999   18.791  117.168   41.711   83.390   59.517  149.772   58.474   76.794   26.038  101.881   23.468 -25.08701 35.05266 
1 1 1    8    4   41 o  106.822   14.024  151.413   36.505  181.807   44.411   88.105   64.096  116.392   15.679   78.022   27.004 38.37033 31.22539 
1 1 1    8    4   42 o   62.991   18.868   55.615   32.009   54.109   39.027   58.709   55.952   62.703   21.085   66.799   24.951 -4.096367 32.66674 
1 1 1    8    4   43 o  137.434   13.712  251.814   46.432  321.541   57.352  119.180   79.101  154.466   15.060   85.357   29.973 69.10886 33.54348 
1 1 1    8    5    0 o  633.886   19.899  5064.47  314.981  5039.07  445.427  5089.87  445.473  629.265   28.346  632.489   28.204 -3.223755 39.98738 
1 1 1    8    5    1 o  253.838   9.8720  806.420   62.577  841.798   88.623  771.242   88.372  258.696   13.768  247.503   14.360 11.19264 19.89381 
1 1 1    8    5    2 o  523.056   16.784  3439.31  219.233  3435.51  310.054  3443.11  310.031  520.976   23.832  521.560   23.804 -0.5840454 33.68405 
1 1 1    8    5    3 o  265.115   10.277  879.782   68.035  866.575   96.227  892.984   96.206  262.363   14.747  266.376   14.518 -4.013580 20.69396 
1 1 1    8    5    4 o  206.546   9.0224  533.647   46.536  524.003   65.857  543.265   65.767  204.061   12.992  207.823   12.734 -3.762283 18.19153 
1 1 1    8    5    5 o  459.372   21.356  2660.35  244.984  2833.82  346.703  2487.36  346.216  471.155   29.618  440.596   31.678 30.55994 43.36776 
1 1 1    8    5    6 o  158.475   17.121  318.995   66.679   0.0000   0.0000  318.995   66.679  ?   ?   158.475   17.121 0.000000 17.12110 
1 1 1    8    5    7 o  142.750   16.642  259.103   58.211  259.103   58.211   0.0000   0.0000  142.750   16.642  ?   ?  0.000000 16.64215 
1 1 1    8    5    8 o  312.812   16.145  1230.15  125.685  1366.17  177.846  1094.44  177.644  328.816   21.783  293.660   24.447 35.15543 32.74317 
1 1 1    8    5    9 o  474.921   21.966  2836.44  260.509  2884.95  368.407  2787.93  368.423  476.280   31.147  468.011   31.711 8.268707 44.44902 
1 1 1    8    5   10 o  211.798   13.112  563.578   69.007  644.092   97.598  483.086   97.584  225.984   17.429  195.100   20.328 30.88307 26.77703 
1 1 1    8    5   11 o  458.166   21.281  2636.67  243.486  2765.17  344.425  2508.30  344.257  466.978   29.690  444.304   31.226 22.67441 43.08798 
1 1 1    8    5   12 o  291.874   12.456  1065.79   90.790  1048.04  156.773  1074.74  111.366  288.013   21.963  292.555   15.297 -4.541504 26.76525 
1 1 1    8    5   13 o  789.549   24.232  7840.87  477.778  7938.91  675.872  7742.94  675.488  791.608   34.190  781.639   34.607 9.969421 48.64777 
1 1 1    8    5   14 o  889.713   27.183  9975.88  603.951  9965.47  854.174  9986.28  854.057  885.084   38.647  886.027   38.600 -0.9437256 54.62175 
1 1 1    8    5   15 o  354.674   12.219  1573.69  108.223  1684.98  153.314  1463.16  152.788  366.690   16.743  341.138   17.999 25.55270 24.58236 
1 1 1    8    5   16 o  463.836   15.094  2694.61  174.827  2787.98  247.528  2601.67  246.960  471.117   21.040  455.012   21.735 16.10577 30.25018 
1 1 1    8    5   17 o  711.955   22.067  6374.22  392.330  6503.23  555.048  6245.41  554.630  716.640   31.015  702.093   31.634 14.54681 44.30224 
1 1 1    8    5   18 o  489.627   15.852  3005.64  193.815  3122.41  274.225  2889.09  273.967  498.094   22.047  478.972   22.905 19.12195 31.79174 
1 1 1    8    5   19 o  704.645   21.906  6255.73  385.456  6405.54  545.221  6106.04  545.014  709.944   30.754  692.850   31.501 17.09424 44.02359 
1 1 1    8    5   20 o  572.511   25.802  4152.09  368.883  4364.46  522.235  3940.62  521.124  581.960   36.114  551.933   38.042 30.02734 52.45376 
1 1 1    8    5   21 o  252.664   14.473  803.932   90.937  816.081  128.865  791.879  128.347  253.492   20.534  249.631   20.778 3.860580 29.21206 
1 1 1    8    5   22 o  127.308   8.4200  203.674   26.617  201.835   36.147  205.853   39.340  126.365   11.584  127.499   12.517 -1.134010 17.05486 
1 1 1    8    5   23 o  146.168   8.5437  268.348   31.050  272.814   42.178  263.065   45.875  147.024   11.582  144.173   12.878 2.851547 17.31994 
1 1 1    8    5   24 o  242.190   9.6458  735.086   58.337  728.718   81.017  741.944   84.070  240.333   13.555  242.439   13.945 -2.105087 19.44723 
1 1 1    8    5   25 o  379.756   12.839  1813.80  121.758  1756.42  170.845  1873.03  173.572  372.288   18.377  384.539   18.075 -12.25165 25.77659 
1 1 1    8    5   26 o  335.210   12.870  1414.09  107.731  1567.70  150.965  1254.68  153.782  351.869   17.181  313.506   19.744 38.36307 26.17259 
1 1 1    8    5   27 o   82.761   14.477   88.873   28.829   88.362   31.499   91.507   71.548   82.248   15.912   85.706   28.548 -3.457878 32.68294 
1 1 1    8    5   28 o  138.389   9.8545  241.546   33.833  217.652   40.609  295.766   61.173  130.897   12.578  151.997   16.375 -21.09993 20.64850 
1 1 1    8    5   29 o  281.086   12.175  994.476   85.457  966.032  104.232  1052.80  149.258  276.022   15.180  286.230   21.029 -10.20792 25.93584 
1 1 1    8    5   30 o  164.322   12.822  342.268   52.199  371.152   71.550  309.404   76.321  170.211   17.063  154.410   20.284 15.80133 26.50648 
1 1 1    8    5   31 o  352.804   17.349  1581.64  152.847  1581.64  152.847   0.0000   0.0000  352.804   17.349  ?   ?  0.000000 17.34893 
1 1 1    8    5   32 o  313.884   16.802  1255.10  131.218  1241.87  185.319  1268.41  185.823  308.951   24.214  312.359   24.007 -3.408600 34.09768 
1 1 1    8    5   33 o  423.756   16.685  2283.75  176.557  2388.34  216.077  2073.65  306.261  431.606   20.048  393.761   31.408 37.84537 37.26076 
1 1 1    8    5   34 o  128.172   11.134  208.526   35.284  228.116   42.180  162.871   64.391  133.768   12.783  109.883   24.127 23.88484 27.30414 
1 1 1    8    5   35 o  236.138   12.059  706.723   70.875  784.449   86.317  545.878  124.170  248.195   13.984  202.379   25.109 45.81534 28.74046 
1 1 1    8    5   36 o  168.978   11.152  362.596   46.794  430.802   56.675  216.510   82.944  183.895   12.414  124.857   27.358 59.03806 30.04329 
1 1 1    8    5   37 o  208.265   20.168  573.265  103.576  573.265  103.576   0.0000   0.0000  208.265   20.168  ?   ?  0.000000 20.16810 
1 1 1    8    5   38 o   65.011   15.881   56.837   25.560   69.201   30.311   26.408   47.554   71.529   17.184   56.414   22.472 15.11420 28.28962 
1 1 1    8    5   39 o   66.730   16.283   60.393   26.893   53.984   31.960   75.937   49.775   63.184   18.837   74.281   23.749 -11.09749 30.31257 
1 1 1    8    5   40 o   88.194   14.673  103.695   31.180   96.710   37.513  119.308   56.081   83.723   18.441   90.795   24.269 -7.071991 30.48005 
1 1 1    8    5   41 o   87.545   15.492  103.401   32.628   90.559   39.621  130.464   57.516   80.161   19.888   94.369   24.270 -14.20808 31.37756 
1 1 1    8    5   42 o   69.238   21.373   68.024   40.658  108.842   59.236   31.666   55.906   85.112   25.706   59.090   24.070 26.02222 35.21637 
1 1 1    8    5   43 f  111.019   15.034  166.313   40.607  195.000   50.234  112.226   68.976  118.908   17.435   84.580   28.023 34.32794 33.00461 
1 1 1    8    5   44 o  153.854   13.664  316.019   51.950  404.993   65.177  161.019   86.026  172.967   15.246   96.210   31.268 76.75771 34.78660 
1 1 1    8    6    0 f  182.092   8.4692  414.656   38.511  386.333   54.414  443.083   54.512  175.157   12.523  187.737   11.686 -12.58005 17.12824 
1 1 1    8    6    1 o  109.894   7.7582  151.743   21.154  159.228   29.955  144.297   29.877  112.263   10.819  106.746   11.384 5.517288 15.70488 
1 1 1    8    6    2 o  799.413   24.711  8089.73  493.301  8058.39  697.612  8121.08  697.653  792.278   35.260  795.438   35.122 -3.160583 49.76804 
1 1 1    8    6    3 o  130.002   7.8835  212.087   25.472  191.232   35.991  233.017   36.055  122.998   11.865  136.018   10.701 -13.01987 15.97796 
1 1 1    8    6    4 o  318.407   11.358  1269.39   90.308  1291.49  127.847  1247.38  127.584  320.731   15.962  314.757   16.288 5.973969 22.80542 
1 1 1    8    6    5 o  518.980   34.294  3458.02  441.937   0.0000   0.0000  3458.02  441.937  ?   ?   518.980   34.294 0.000000 34.29373 
1 1 1    8    6    6 f  150.884   16.835  289.290   62.351  289.290   62.351   0.0000   0.0000  150.884   16.835  ?   ?  0.000000 16.83512 
1 1 1    8    6    7 o  734.504   32.360  6859.55  593.547  6591.12  838.828  7128.71  839.979  711.250   47.501  740.984   45.617 -29.73407 65.85781 
1 1 1    8    6    8 o  449.676   14.773  2533.62  165.885  2566.62  234.646  2500.65  234.549  451.819   20.797  445.935   21.063 5.884003 29.59964 
1 1 1    8    6    9 o  420.505   14.054  2214.32  147.582  2195.75  208.695  2232.89  208.729  418.111   19.988  421.652   19.823 -3.540894 28.15113 
1 1 1    8    6   10 o  227.386   9.4282  646.377   53.536  680.747   75.822  612.206   75.601  232.853   13.093  220.711   13.786 12.14172 19.01218 
1 1 1    8    6   11 o  373.160   12.714  1742.38  118.479  1730.66  167.576  1754.09  167.534  371.498   18.064  374.016   17.938 -2.517334 25.45679 
1 1 1    8    6   12 o  596.826   26.640  4487.87  397.039  4333.71  561.195  4642.37  561.802  582.339   38.813  603.264   37.478 -20.92554 53.95464 
1 1 1    8    6   13 o  902.893   39.255 10375.59  885.084 10783.64  1252.33  9968.38  1251.06  910.513   55.341  873.805   57.658 36.70825 79.91946 
1 1 1    8    6   14 o  420.571   19.491  2219.06  204.700  2485.21  290.015  1954.83  288.968  443.455   26.307  392.423   29.708 51.03168 39.68134 
1 1 1    8    6   15 o  419.085   14.011  2198.46  146.634  2224.13  207.610  2172.91  207.134  421.003   19.748  416.107   19.934 4.895874 28.05947 
1 1 1    8    6   16 o  333.377   11.908  1390.32   99.131  1398.74  140.442  1381.96  139.945  333.639   16.912  331.621   16.956 2.018158 23.94813 
1 1 1    8    6   17 o  391.804   13.031  1921.39  127.498  2039.98  180.656  1803.70  179.963  403.276   17.939  378.613   19.096 24.66251 26.20042 
1 1 1    8    6   18 o  470.091   15.209  2769.30  178.534  2775.44  252.590  2763.18  252.380  469.752   21.533  468.708   21.563 1.043396 30.47295 
1 1 1    8    6   19 o  618.947   19.448  4815.97  300.587  4948.88  425.221  4683.22  424.966  625.395   27.228  608.152   27.983 17.24316 39.04334 
1 1 1    8    6   20 o  230.465   9.6909  664.481   55.773  728.721   78.783  599.941   78.966  240.796   13.152  218.238   14.574 22.55771 19.63042 
1 1 1    8    6   21 o  365.837   12.868  1677.78  117.553  1745.16  166.013  1610.03  166.478  372.422   17.851  357.098   18.734 15.32474 25.87705 
1 1 1    8    6   22 o  130.414   12.243  215.112   39.405  176.539   56.032  252.857   55.428  116.671   19.949  140.906   16.038 -24.23441 25.59642 
1 1 1    8    6   23 o  384.022   18.757  1862.69  179.875  1871.76  254.621  1853.66  254.144  381.784   26.879  379.890   26.965 1.893585 38.07331 
1 1 1    8    6   24 o  378.835   13.254  1803.86  125.388  1929.95  176.726  1676.05  177.930  390.733   18.112  363.211   19.691 27.52167 26.75408 
1 1 1    8    6   25 o  243.025   10.171  740.682   61.724  782.851   85.807  695.462   88.856  249.005   13.854  234.365   15.266 14.63962 20.61518 
1 1 1    8    6   26 o  233.742   10.875  685.908   63.480  759.461   87.894  605.710   91.779  245.036   14.428  218.167   16.980 26.86864 22.28187 
1 1 1    8    6   27 o  270.863   10.923  921.412   73.880  948.635  101.982  891.346  107.175  273.740   14.976  264.988   16.275 8.751709 22.11668 
1 1 1    8    6   28 o  276.326   21.581  981.649  147.732  981.649  147.732   0.0000   0.0000  276.326   21.581  ?   ?  0.000000 21.58056 
1 1 1    8    6   29 o  345.331   25.162  1546.48  215.494  1546.48  215.494   0.0000   0.0000  345.331   25.162  ?   ?  0.000000 25.16216 
1 1 1    8    6   30 f  152.099   18.637  298.476   69.306   0.0000   0.0000  298.476   69.306  ?   ?   152.099   18.637 0.000000 18.63700 
1 1 1    8    6   31 o  177.308   10.471  396.342   46.158  412.814   55.877  360.954   81.901  180.612   12.465  167.012   20.038 13.60068 23.59860 
1 1 1    8    6   32 f  113.906   10.398  164.380   29.251  159.313   34.710  176.797   54.339  111.726   12.664  116.229   19.406 -4.503059 23.17301 
1 1 1    8    6   33 o  458.626   17.780  2679.29  203.634  2700.03  249.176  2637.59  353.342  458.134   21.780  444.330   32.060 13.80444 38.75868 
1 1 1    8    6   34 o   95.588   15.906  119.040   36.634  142.474   51.447   94.935   52.177  103.594   20.612   84.327   23.761 19.26672 31.45520 
1 1 1    8    6   35 o  221.357   11.540  619.937   63.568  660.675   77.375  535.339  111.501  227.945   13.656  201.926   22.495 26.01915 26.31526 
1 1 1    8    6   36 o  368.843   15.131  1735.51  139.366  1791.05  170.508  1623.74  241.898  372.862   18.312  346.922   28.165 25.93967 33.59511 
1 1 1    8    6   37 o   51.296   16.120   33.598   23.012   39.514   26.752   16.767   45.126   55.433   17.374   52.922   21.599 2.510750 27.71973 
1 1 1    8    6   38 o   84.488   13.981   93.718   28.465   95.583   33.967   89.317   52.170   84.566   16.677   80.593   24.075 3.972595 29.28752 
1 1 1    8    6   39 o  115.378   20.526  181.827   56.972  181.827   56.972   0.0000   0.0000  115.378   20.526  ?   ?  0.000000 20.52604 
1 1 1    8    6   40 o  169.713   11.697  370.570   49.271  422.614   60.406  267.114   85.168  180.425   13.505  136.239   25.982 44.18642 29.28213 
1 1 1    8    6   41 o  132.066   12.494  226.825   40.713  257.086   49.850  166.203   70.556  139.737   14.497  105.677   26.721 34.05974 30.39965 
1 1 1    8    6   42 o   91.615   15.619  113.404   34.452  140.572   42.467   61.093   58.927  101.380   17.401   68.825   25.625 32.55445 30.97512 
1 1 1    8    6   43 o  100.957   19.131  143.165   46.465  194.055   67.846   98.213   63.765  114.217   24.520   80.668   26.953 33.54903 36.43745 
1 1 1    8    6   44 o  115.704   15.385  181.766   43.351  244.586   54.521   73.780   71.483  133.537   16.716   72.460   27.936 61.07739 32.55520 
1 1 1    8    7    0 o   57.887   10.434   43.214   14.529   35.809   17.414   60.171   26.353   52.453   13.281   67.900   15.833 -15.44718 20.66602 
1 1 1    8    7    1 o  312.197   13.157  1221.29  102.571  1224.65  125.532  1214.54  177.917  311.933   16.171  309.341   23.201 2.592468 28.28041 
1 1 1    8    7    2 o  379.103   13.006  1800.79  123.130  1828.16  174.199  1773.45  174.066  381.320   18.294  375.532   18.562 5.787170 26.06141 
1 1 1    8    7    3 o  533.458   16.622  3573.55  221.434  3545.00  313.152  3602.10  313.157  529.775   23.671  534.074   23.481 -4.298828 33.34140 
1 1 1    8    7    4 o  571.977   18.155  4112.09  259.309  4096.42  366.730  4127.75  366.706  568.965   25.811  571.167   25.710 -2.201660 36.43123 
1 1 1    8    7    5 o  258.749   14.468  841.934   93.108  868.006  131.563  815.774  131.787  261.854   20.278  253.678   20.992 8.175446 29.18678 
1 1 1    8    7    6 o  100.229   11.476  127.368   28.206  167.410   39.719   86.634   40.060  114.723   14.165   81.399   19.880 33.32450 24.41004 
1 1 1    8    7    7 o  743.498   22.769  6962.79  422.737  6892.30  597.767  7033.31  597.915  736.399   32.506  744.024   32.181 -7.625427 45.74154 
1 1 1    8    7    8 o  564.535   17.654  3998.76  248.880  3979.90  351.971  4017.62  351.967  561.807   25.088  564.489   24.969 -2.681702 35.39566 
1 1 1    8    7    9 o  326.112   11.229  1330.33   91.441  1384.52  129.422  1276.31  129.213  332.401   15.592  318.685   16.291 13.71671 22.54993 
1 1 1    8    7   10 o  504.005   16.263  3183.37  204.682  3225.82  289.543  3140.96  289.385  506.444   22.895  499.691   23.191 6.753082 32.58821 
1 1 1    8    7   11 o  138.388   8.2145  240.176   28.260  248.762   39.993  231.614   39.939  140.560   11.495  135.550   11.920 5.009979 16.55955 
1 1 1    8    7   12 o  448.653   14.776  2520.32  165.547  2467.80  234.040  2572.92  234.198  443.306   21.142  452.701   20.717 -9.395111 29.59978 
1 1 1    8    7   13 o  944.349   28.759 11250.72  678.203 11122.40  959.038 11379.09  959.210  933.940   41.121  944.878   40.652 -10.93842 57.82369 
1 1 1    8    7   14 o  448.166   14.765  2514.70  165.248  2575.96  233.876  2453.64  233.517  452.997   20.675  442.056   21.154 10.94113 29.57925 
1 1 1    8    7   15 f  312.328   12.898  1220.58  100.598  1255.32  123.607  1152.44  173.125  316.584   15.635  301.906   23.140 14.67740 27.92668 
1 1 1    8    7   16 f  271.485   14.770  925.645   99.756  868.288  141.127  982.920  141.026  261.995   21.768  279.073   20.377 -17.07730 29.81723 
1 1 1    8    7   17 o  318.830   16.198  1277.18  128.539  1358.45  182.062  1196.42  181.502  327.941   22.365  307.416   23.829 20.52560 32.68081 
1 1 1    8    7   18 o  511.100   16.212  3274.90  206.920  3420.54  292.932  3129.85  292.326  521.364   22.500  498.546   23.481 22.81808 32.52041 
1 1 1    8    7   19 o  581.125   18.053  4240.64  261.975  4443.00  370.759  4038.86  370.219  593.281   25.025  565.354   26.223 27.92657 36.24821 
1 1 1    8    7   20 o  342.109   11.932  1465.53  101.934  1445.09  144.061  1486.02  144.251  338.784   17.083  344.010   16.792 -5.226410 23.95428 
1 1 1    8    7   21 o  245.649   10.263  755.296   62.959  848.858   88.945  661.343   89.130  259.807   13.758  228.962   15.683 30.84547 20.86285 
1 1 1    8    7   22 o  252.621   10.114  799.027   63.803  802.070   89.702  795.912   90.770  252.357   14.293  251.347   14.523 1.009308 20.37699 
1 1 1    8    7   23 o  194.538   9.4929  473.873   46.116  523.206   64.355  421.802   66.117  203.795   12.709  182.611   14.622 21.18469 19.37284 
1 1 1    8    7   24 o  471.933   22.100  2830.30  260.446  2873.51  368.660  2787.25  367.993  470.328   31.572  462.927   32.030 7.400696 44.97433 
1 1 1    8    7   25 o  104.362   9.5530  137.628   24.620  132.745   29.562  148.684   44.478  102.149   11.807  107.181   17.199 -5.032646 20.86178 
1 1 1    8    7   26 o  296.379   10.678  1102.40   79.031  1032.24  109.915  1177.50  113.714  285.587   15.470  305.569   14.902 -19.98160 21.48026 
1 1 1    8    7   27 o  312.237   12.277  1226.07   95.729  1345.19  133.576  1100.29  137.261  325.720   16.476  293.804   18.807 31.91647 25.00328 
1 1 1    8    7   28 o  221.937   10.797  618.611   59.838  591.097   72.854  675.655  104.900  216.168   13.565  229.969   18.421 -13.80072 22.87675 
1 1 1    8    7   29 o  157.943   9.6733  314.154   37.969  271.582   45.878  406.703   67.644  146.333   12.680  178.758   15.301 -32.42509 19.87222 
1 1 1    8    7   30 o  159.325   17.143  325.483   67.133  325.483   67.133   0.0000   0.0000  159.325   17.143  ?   ?  0.000000 17.14318 
1 1 1    8    7   31 o   70.161   11.616   63.534   19.640   48.941   22.910  104.002   38.150   61.030   15.112   88.972   17.792 -27.94221 23.34398 
1 1 1    8    7   32 o  151.722   10.387  290.555   39.116  293.810   47.255  283.469   69.719  152.200   12.545  147.902   19.340 4.297745 23.05227 
1 1 1    8    7   33 o  362.475   14.740  1662.48  133.424  1631.12  163.089  1725.96  232.018  357.310   18.340  363.658   25.715 -6.347900 31.58492 
1 1 1    8    7   34 f  116.312   11.112  171.822   31.883  189.068   38.235  132.458   57.765  121.749   12.766   99.260   23.642 22.48901 26.86885 
1 1 1    8    7   35 o  520.269   24.608  3533.35  319.704  3759.20  452.763  3308.77  451.500  524.577   34.760  488.940   37.259 35.63733 50.95585 
1 1 1    8    7   36 o  315.136   17.017  1274.93  133.416  1360.81  189.370  1190.30  187.996  321.506   23.755  299.509   25.374 21.99747 34.75838 
1 1 1    8    7   37 o   54.894   16.009   39.429   23.298   36.632   27.277   46.974   44.803   54.056   17.609   63.333   22.525 -9.277840 28.59105 
1 1 1    8    7   38 o  162.221   11.304  335.392   45.508  354.938   55.354  294.633   79.933  166.214   13.452  147.690   22.374 18.52425 26.10636 
1 1 1    8    7   39 o   53.621   16.666   37.451   24.675   21.322   29.240   77.350   45.989   47.001   17.929   75.148   22.640 -28.14693 28.87927 
1 1 1    8    7   40 o   47.274   19.682   10.632   38.473   10.632   38.473   0.0000   0.0000   47.274   19.682  ?   ?  0.000000 19.68175 
1 1 1    8    7   41 o  111.487   13.406  162.848   36.575  192.234   44.573  102.284   63.991  120.510   15.146   84.001   26.936 36.50850 30.90189 
1 1 1    8    7   42 o   58.842   18.402   46.793   30.031   67.235   37.022   7.4659   51.351   69.312   20.171   51.634   22.170 17.67792 29.97266 
1 1 1    8    7   43 o   88.465   16.721  107.356   35.586  142.119   44.233   43.571   59.917  101.379   18.138   63.509   25.248 37.86978 31.08783 
1 1 1    8    7   44 o   91.156   17.579  115.872   38.564  145.059   48.274   64.394   64.111  100.913   19.864   69.475   26.537 31.43800 33.14811 
1 1 1    8    7   45 o  132.577   18.145  246.343   58.497  375.495   86.150  135.855   79.683  160.087   22.143   89.666   30.129 70.42010 37.39071 
1 1 1    8    8    0 o  475.700   17.830  2841.34  211.805  2756.76  259.149  3011.51  367.593  467.850   22.182  486.241   30.427 -18.39139 37.65378 
1 1 1    8    8    1 o  263.428   11.531  868.559   75.856  826.876   92.664  953.237  132.073  256.440   14.530  274.695   19.378 -18.25510 24.22019 
1 1 1    8    8    2 o  303.283   12.899  1152.03   97.689  1153.20  119.553  1149.68  169.459  302.787   15.867  301.167   22.699 1.619293 27.69488 
1 1 1    8    8    3 o  201.597   9.7676  508.355   49.172  603.969   60.376  319.999   84.742  219.408   11.055  157.877   22.100 61.53069 24.71103 
1 1 1    8    8    4 o  233.798   13.759  687.233   79.976   0.0000   0.0000  687.233   79.976  ?   ?   233.798   13.759 0.000000 13.75900 
1 1 1    8    8    5 o  419.738   28.612  2241.77  298.116  2241.77  298.116   0.0000   0.0000  419.738   28.612  ?   ?  0.000000 28.61235 
1 1 1    8    8    6 o  298.387   15.604  1119.33  115.868  1289.35  164.020  949.967  163.706  319.528   20.667  273.420   24.227 46.10770 31.84448 
1 1 1    8    8    7 o  613.446   19.297  4726.96  295.605  4750.12  418.091  4703.81  418.006  613.109   27.308  610.079   27.438 3.030579 38.71076 
1 1 1    8    8    8 o  848.924   25.974  9091.57  550.629  9202.68  778.859  8980.54  778.555  849.760   36.704  839.234   37.150 10.52631 52.22332 
1 1 1    8    8    9 o  456.043   14.964  2605.22  170.416  2662.93  241.129  2547.62  240.880  460.346   20.976  450.207   21.426 10.13873 29.98404 
1 1 1    8    8   10 o  434.914   14.430  2368.50  156.714  2365.00  221.627  2371.99  221.628  433.968   20.451  434.612   20.421 -0.6448059 28.90071 
1 1 1    8    8   11 o  680.819   21.165  5821.70  359.832  5809.48  508.879  5833.91  508.880  678.078   30.053  679.520   29.989 -1.441223 42.45597 
1 1 1    8    8   12 o  239.311   9.6891  715.928   57.903  741.640   81.875  690.200   81.898  243.056   13.543  234.398   14.057 8.657562 19.51945 
1 1 1    8    8   13 o  267.616   10.360  895.431   69.233  851.532   97.896  939.354   97.924  260.339   15.123  273.554   14.385 -13.21512 20.87250 
1 1 1    8    8   14 f  755.183   23.204  7169.10  437.595  7315.64  619.093  7022.79  618.612  760.367   32.605  744.793   33.261 15.57471 46.57629 
1 1 1    8    8   15 o  440.552   14.458  2429.85  159.053  2400.84  225.032  2458.80  224.839  437.312   20.606  442.590   20.343 -5.277985 28.95633 
1 1 1    8    8   16 o  394.537   13.262  1948.10  130.660  2026.69  185.064  1869.98  184.499  401.980   18.436  386.058   19.138 15.92169 26.57330 
1 1 1    8    8   17 o  385.634   13.245  1861.42  127.552  1790.17  180.505  1932.48  180.266  377.184   19.228  392.477   18.393 -15.29294 26.60829 
1 1 1    8    8   18 f  805.632   35.172  8257.55  707.586  8693.00  1001.38  7823.31  999.982  818.015   49.251  774.133   52.030 43.88196 71.64357 
1 1 1    8    8   19 o  422.940   19.969  2248.78  210.908  2317.12  298.278  2180.45  298.260  427.002   28.131  413.926   29.039 13.07599 40.43009 
1 1 1    8    8   20 o  436.050   14.284  2383.61  155.541  2495.88  220.201  2271.83  219.735  445.379   19.799  424.765   20.716 20.61420 28.65544 
1 1 1    8    8   21 f  490.626   15.663  3022.27  191.902  3176.76  271.568  2868.19  271.214  501.740   21.675  476.484   22.794 25.25598 31.45363 
1 1 1    8    8   22 o  321.054   11.389  1291.38   91.306  1326.04  128.901  1256.48  129.352  324.812   15.892  315.681   16.466 9.131104 22.88386 
1 1 1    8    8   23 o  180.692   9.4369  409.874   42.433  443.679   59.329  374.470   60.715  187.615   12.739  172.067   14.259 15.54762 19.12023 
1 1 1    8    8   24 o  567.468   17.993  4066.56  254.979  4141.41  360.322  3991.49  360.869  569.521   25.336  558.860   25.858 10.66077 36.20119 
1 1 1    8    8   25 o  448.639   14.690  2534.76  164.581  2544.00  232.077  2525.41  233.434  447.556   20.765  445.843   20.967 1.712585 29.50926 
1 1 1    8    8   26 o  303.347   16.044  1165.07  121.102  1217.28  171.748  1113.45  170.784  308.069   22.480  294.228   23.438 13.84122 32.47648 
1 1 1    8    8   27 o  318.936   12.444  1279.31   99.107  1412.64  138.813  1140.68  141.543  334.197   16.633  299.141   19.047 35.05557 25.28741 
1 1 1    8    8   28 o  195.574   10.263  481.362   49.947  485.340   60.864  473.158   87.403  196.014   12.499  192.224   18.434 3.789780 22.27245 
1 1 1    8    8   29 o  111.867   18.383  162.901   49.568   0.0000   0.0000  162.901   49.568  ?   ?   111.867   18.383 0.000000 18.38261 
1 1 1    8    8   30 o   78.281   12.996   79.201   24.514   79.201   24.514   0.0000   0.0000   78.281   12.996  ?   ?  0.000000 12.99627 
1 1 1    8    8   31 o  288.384   12.539  1047.31   90.300  1077.53  110.361  986.090  157.071  291.550   15.211  276.201   22.982 15.34830 27.55965 
1 1 1    8    8   32 f  332.495   24.644  1434.96  203.162  1434.96  203.162   0.0000   0.0000  332.495   24.644  ?   ?  0.000000 24.64396 
1 1 1    8    8   33 o  134.331   10.450  228.122   34.780  221.517   41.968  242.605   62.143  131.929   12.904  136.787   18.681 -4.858551 22.70452 
1 1 1    8    8   34 o  149.922   10.563  284.020   39.294  272.163   47.556  309.531   69.758  146.257   13.162  154.757   18.412 -8.500183 22.63247 
1 1 1    8    8   35 o  383.971   15.450  1872.17  148.138  1876.15  181.324  1864.19  256.886  382.756   18.971  375.495   27.589 7.261200 33.48201 
1 1 1    8    8   36 o  150.795   10.869  288.118   40.654  317.835   49.266  224.697   71.972  158.040   12.588  129.636   23.078 28.40346 26.28798 
1 1 1    8    8   37 o   94.619   16.305  117.686   37.135  134.610   53.201  101.604   51.860   99.720   21.958   86.433   23.437 13.28754 32.11613 
1 1 1    8    8   38 o  156.860   11.247  313.289   43.762  344.219   53.357  249.721   76.493  163.892   13.148  135.543   23.448 28.34917 26.88261 
1 1 1    8    8   39 o   80.329   14.533   85.283   28.080  110.279   34.268   34.199   48.989   91.287   15.592   59.541   23.078 31.74575 27.85189 
1 1 1    8    8   40 o   79.485   15.131   84.314   28.936   88.162   35.303   76.435   50.514   80.442   18.021   74.746   23.928 5.696297 29.95519 
1 1 1    8    8   41 o   59.747   17.600   48.227   28.034   37.021   33.954   72.228   49.689   55.228   19.613   72.529   23.773 -17.30136 30.81916 
1 1 1    8    8   42 o   63.797   23.866   48.797   51.234   48.797   51.234   0.0000   0.0000   63.797   23.866  ?   ?  0.000000 23.86630 
1 1 1    8    8   43 o   51.337   18.637   31.308   30.847   51.782   38.313  -6.4253   52.012   62.089   20.891   48.552   21.538 13.53693 30.00548 
1 1 1    8    8   44 o  103.444   15.853  145.206   39.645  170.790   50.158  102.614   64.717  110.663   18.824   82.158   27.141 28.50518 33.03006 
1 1 1    8    8   45 o   84.845   18.998  103.028   39.250  147.088   50.430   35.326   62.512  100.697   20.745   60.832   25.187 39.86499 32.63075 
1 1 1    8    9    0 o  147.397   11.924  273.660   43.513  278.371   61.123  268.820   61.958  148.033   16.834  145.350   17.417 2.683228 24.22240 
1 1 1    8    9    1 o  412.457   16.011  2133.10  164.908  2176.35  201.893  2046.40  285.851  416.203   19.425  401.131   28.727 15.07172 34.67806 
1 1 1    8    9    2 o  220.327   10.858  607.318   59.739  600.698   72.981  620.758  103.996  218.599   13.434  221.502   18.985 -2.902969 23.25743 
1 1 1    8    9    3 o  564.795   20.733  4012.01  292.416  4057.83  358.144  3920.39  506.456  567.009   25.294  552.841   36.897 14.16760 44.73457 
1 1 1    8    9    4 o  557.878   18.696  3908.89  260.462  3446.63  318.139  4848.58  453.599  522.783   24.369  618.673   29.360 -95.88922 38.15617 
1 1 1    8    9    5 o  504.875   18.606  3200.84  234.579  3154.15  287.189  3294.45  406.619  500.431   22.981  508.364   32.197 -7.932617 39.55706 
1 1 1    8    9    6 o  494.778   22.470  3081.37  277.634  2841.82  391.908  3322.71  393.364  471.730   33.487  511.054   30.969 -39.32474 45.61197 
1 1 1    8    9    7 o  680.042   21.169  5814.27  359.487  5777.37  508.367  5851.18  508.417  675.496   30.137  679.856   29.947 -4.360229 42.48616 
1 1 1    8    9    8 o  661.781   20.503  5502.37  338.827  5547.22  479.251  5457.54  479.098  662.429   28.972  656.988   29.202 5.441223 41.13543 
1 1 1    8    9    9 o  409.121   13.762  2095.51  140.601  2072.11  198.845  2118.91  198.834  406.271   19.600  410.858   19.380 -4.586884 27.56305 
1 1 1    8    9   10 o  447.568   14.761  2508.57  164.982  2502.61  233.332  2514.52  233.306  446.370   20.933  447.437   20.881 -1.067474 29.56666 
1 1 1    8    9   11 o  726.792   22.471  6639.15  407.840  6674.92  576.836  6603.38  576.711  726.352   31.802  722.399   31.969 3.952820 45.09316 
1 1 1    8    9   12 o  369.275   12.279  1705.93  113.231  1722.58  160.124  1689.28  160.141  370.719   17.297  367.104   17.469 3.615173 24.58321 
1 1 1    8    9   13 o  182.502   8.6935  416.267   39.620  386.207   55.997  446.400   56.065  175.218   12.888  188.533   11.970 -13.31572 17.58970 
1 1 1    8    9   14 o  701.648   21.620  6183.45  378.811  6144.20  535.708  6222.69  535.732  697.312   30.765  701.805   30.569 -4.492493 43.36956 
1 1 1    8    9   15 o  405.734   13.633  2060.36  138.125  2100.80  195.533  2020.09  195.144  409.220   19.134  401.249   19.476 7.971313 27.30242 
1 1 1    8    9   16 o  428.693   14.107  2300.75  151.019  2187.55  213.576  2413.94  213.570  417.399   20.490  438.582   19.500 -21.18246 28.28631 
1 1 1    8    9   17 o  392.701   13.286  1930.31  130.291  1948.40  184.506  1912.31  184.014  394.051   18.750  390.371   18.876 3.679596 26.60632 
1 1 1    8    9   18 o  962.888   29.399 11729.74  706.901 11786.19  999.905 11673.35  999.512  958.843   41.760  954.129   41.950 4.714111 59.19195 
1 1 1    8    9   19 o  626.157   19.643  4927.70  307.149  4950.53  434.531  4904.91  434.218  625.548   27.817  622.626   27.927 2.921387 39.41726 
1 1 1    8    9   20 o  310.320   11.436  1205.45   88.621  1194.05  125.409  1216.81  125.248  308.012   16.363  310.968   16.185 -2.955841 23.01541 
1 1 1    8    9   21 o  471.295   21.934  2803.20  258.144  2920.45  364.788  2685.58  365.354  477.683   30.744  457.455   32.188 20.22717 44.51129 
1 1 1    8    9   22 o  368.630   12.895  1703.98  118.701  1861.02  168.063  1547.67  167.674  384.551   17.501  349.880   19.265 34.67044 26.02769 
1 1 1    8    9   23 o  258.016   9.4881  833.447   61.133  819.147   86.114  847.974   86.799  255.081   13.568  259.563   13.437 -4.482208 19.09576 
1 1 1    8    9   24 o  387.758   13.572  1889.24  131.417  2026.27  185.654  1751.62  186.048  400.477   18.564  371.445   20.133 29.03201 27.38546 
1 1 1    8    9   25 f  198.410   8.8208  493.016   43.704  516.197   60.714  468.088   62.960  202.400   12.067  192.529   13.175 9.870850 17.86576 
1 1 1    8    9   26 o  254.719   10.730  814.127   68.249  887.221   95.400  737.501   97.677  264.989   14.472  241.123   16.318 23.86555 21.81070 
1 1 1    8    9   27 o  611.570   22.350  4777.83  341.326  4825.72  418.055  4682.08  591.142  611.173   27.392  589.440   40.405 21.73328 48.81425 
1 1 1    8    9   28 o   82.370   13.982   87.829   27.731   79.434   40.475   95.257   38.072   77.592   20.559   85.052   18.456 -7.459602 27.62782 
1 1 1    8    9   29 o  127.273   9.9626  204.493   31.411  215.234   37.933  181.060   56.028  130.316   11.784  117.759   19.752 12.55640 23.00026 
1 1 1    8    9   30 o  234.140   11.097  688.902   64.882  677.486   79.173  712.246  113.214  231.398   13.764  235.781   19.400 -4.383713 23.78677 
1 1 1    8    9   31 o  260.367   11.735  852.696   76.301  839.897   93.174  878.755  132.946  257.502   14.549  261.601   20.515 -4.098328 25.15091 
1 1 1    8    9   32 o  104.512   10.335  138.510   26.620  135.322   31.878  145.855   48.386  102.890   12.675  105.485   19.070 -2.594719 22.89843 
1 1 1    8    9   33 o  173.685   10.695  380.587   46.160  373.363   56.089  395.748   81.259  171.560   13.193  175.267   18.863 -3.707306 23.01907 
1 1 1    8    9   34 o  185.920   18.568  444.918   85.053  444.918   85.053   0.0000   0.0000  185.920   18.568  ?   ?  0.000000 18.56791 
1 1 1    8    9   35 o   81.769   12.754   86.352   25.193   62.824   30.057  141.921   46.192   68.906   17.450  103.958   18.470 -35.05185 25.40937 
1 1 1    8    9   36 o  154.601   10.818  302.582   41.502  277.607   50.466  354.766   72.947  147.386   13.875  165.610   17.925 -18.22366 22.66741 
1 1 1    8    9   37 o  153.452   11.061  298.809   42.100  293.402   51.335  309.914   73.574  151.396   13.728  153.743   19.610 -2.347458 23.93764 
1 1 1    8    9   38 o  203.266   11.501  524.963   58.139  563.350   71.429  449.615  100.074  209.838   13.707  183.711   22.269 26.12708 26.14919 
1 1 1    8    9   39 o   65.281   19.070   56.989   33.035   32.018   47.817   79.792   45.693   58.563   22.772   76.536   22.448 -17.97308 31.97647 
1 1 1    8    9   40 o   51.754   16.906   34.042   25.137   38.510   30.982   25.436   43.000   55.484   18.786   54.268   21.447 1.216225 28.51132 
1 1 1    8    9   41 o  151.986   11.869  297.420   44.690  327.401   55.453  241.872   75.482  158.519   14.158  131.057   23.946 27.46219 27.81845 
1 1 1    8    9   42 o   62.202   18.033   52.818   29.641   57.038   37.092   45.361   49.307   64.763   20.480   62.334   23.395 2.429256 31.09240 
1 1 1    8    9   43 o   86.236   16.793  101.552   34.863  118.724   43.540   70.876   58.194   92.190   19.521   72.202   25.672 19.98763 32.25114 
1 1 1    8    9   44 o   64.828   25.556   47.607   60.909   47.607   60.909   0.0000   0.0000   64.828   25.556  ?   ?  0.000000 25.55572 
1 1 1    8    9   45 o   69.669   19.927   69.724   36.416   97.589   47.000   27.865   57.604   81.166   22.438   57.966   24.104 23.20023 32.93122 
1 1 1    8   10    0 o  176.390   17.715  394.189   76.976  394.189   76.976   0.0000   0.0000  176.390   17.715  ?   ?  0.000000 17.71504 
1 1 1    8   10    1 o  376.790   18.381  1781.88  172.946  1770.18  244.330  1793.62  244.836  373.633   26.356  376.137   26.230 -2.504211 37.18413 
1 1 1    8   10    2 o  405.192   19.401  2061.99  196.305  2041.65  277.350  2082.41  277.885  401.014   27.869  405.071   27.637 -4.057526 39.24882 
1 1 1    8   10    3 o  605.008   22.036  4605.08  332.925  4627.43  407.701  4560.34  576.776  605.337   26.971  596.116   38.960 9.220947 47.38485 
1 1 1    8   10    4 o  715.403   22.211  6439.70  396.796  5675.06  484.719  7993.01  690.860  669.786   28.980  792.572   34.906 -122.7859 45.36840 
1 1 1    8   10    5 o  434.905   15.386  2370.25  167.099  2178.98  204.251  2757.38  290.574  416.510   19.638  467.034   25.006 -50.52423 31.79481 
1 1 1    8   10    6 o  373.397   18.062  1749.49  168.414  1650.99  237.620  1848.92  238.732  360.755   26.564  382.173   25.156 -21.41852 36.58445 
1 1 1    8   10    7 o  852.844   37.174  9267.50  791.695  8818.23  1118.68  9718.30  1120.57  820.667   54.904  863.580   52.208 -42.91345 75.76303 
1 1 1    8   10    8 o  1366.74   41.077 23887.66  1401.94 23987.88  1982.74 23787.45  1982.55  1353.07   58.681  1347.13   58.934 5.938599 83.16606 
1 1 1    8   10    9 o  1028.51   31.313 13387.53  804.231 13373.71  1137.33 13401.35  1137.38  1020.95   44.610  1022.03   44.565 -1.082275 63.05590 
1 1 1    8   10   10 o  365.065   12.327  1667.42  112.378  1637.94  158.902  1696.93  158.950  361.439   17.605  367.917   17.301 -6.477570 24.68313 
1 1 1    8   10   11 f  356.588   12.398  1590.85  110.402  1632.94  156.176  1548.81  156.089  360.928   17.328  351.016   17.866 9.912445 24.88883 
1 1 1    8   10   12 o  475.000   15.290  2825.63  181.360  2754.41  256.389  2896.96  256.575  468.233   21.927  480.268   21.393 -12.03464 30.63473 
1 1 1    8   10   13 o  361.335   12.550  1633.49  113.237  1626.08  160.196  1640.88  160.088  360.148   17.812  361.791   17.719 -1.642517 25.12478 
1 1 1    8   10   14 o  326.135   11.581  1330.34   94.315  1232.03  133.293  1428.92  133.470  313.072   17.114  337.751   15.825 -24.67853 23.30935 
1 1 1    8   10   15 o  618.103   19.401  4793.76  299.457  4669.90  423.432  4917.70  423.559  608.481   27.867  624.575   27.157 -16.09381 38.91075 
1 1 1    8   10   16 o  396.765   13.273  1970.26  131.511  1857.56  185.973  2082.99  185.996  384.241   19.445  407.522   18.277 -23.28125 26.68627 
1 1 1    8   10   17 o  201.869   8.8470  509.384   44.598  540.723   63.556  478.984   62.597  207.513   12.320  195.204   12.914 12.30919 17.84833 
1 1 1    8   10   18 o  1004.94   30.666 12793.39  769.575 12764.49  1088.45 12822.27  1088.24  996.421   43.743  998.746   43.633 -2.325073 61.78482 
1 1 1    8   10   19 o  768.064   23.610  7436.56  452.845  7310.40  640.419  7562.72  640.421  757.723   33.846  770.943   33.265 -13.21924 47.45647 
1 1 1    8   10   20 o  491.421   16.011  3030.41  196.477  3076.68  278.078  2984.30  277.645  493.948   22.544  486.408   22.858 7.539063 32.10497 
1 1 1    8   10   21 o  254.771   9.3231  812.016   59.314  969.921   84.264  656.935   83.507  278.257   12.127  228.358   14.722 49.89922 19.07376 
1 1 1    8   10   22 o  651.934   20.375  5363.32  331.713  5549.14  469.246  5177.71  468.979  659.822   28.479  636.889   29.488 22.93286 40.99472 
1 1 1    8   10   23 o  160.516   12.532  325.134   49.834  358.185   68.191  287.250   73.006  167.914   16.475  149.505   20.061 18.40889 25.95864 
1 1 1    8   10   24 o  659.237   24.111  5533.43  396.929  5814.51  686.728  5392.42  486.411  662.011   41.754  647.298   30.092 14.71307 51.46772 
1 1 1    8   10   25 o  101.032   8.4064  128.673   21.016  119.901   27.992  140.008   31.818   97.032   11.795  104.867   12.389 -7.834976 17.10599 
1 1 1    8   10   26 o  119.871   8.7168  180.934   25.914  176.844   34.605  186.155   39.102  118.068   11.899  120.961   13.157 -2.892395 17.73986 
1 1 1    8   10   27 o  335.302   13.513  1415.48  113.145  1375.45  138.492  1495.81  196.204  329.345   16.896  341.232   23.163 -11.88730 28.67021 
1 1 1    8   10   28 o  277.647   21.939  990.455  150.871   0.0000   0.0000  990.455  150.871  ?   ?   277.647   21.939 0.000000 21.93890 
1 1 1    8   10   29 o  262.498   14.202  871.487   92.749  871.487   92.749   0.0000   0.0000  262.498   14.202  ?   ?  0.000000 14.20206 
1 1 1    8   10   30 o  191.241   13.199  462.891   62.648  474.978   89.972  451.515   87.284  192.378   18.976  187.544   18.895 4.834030 26.77843 
1 1 1    8   10   31 o  359.243   14.359  1629.01  128.817  1696.58  157.853  1494.31  222.878  365.730   17.284  338.740   26.561 26.99042 31.68941 
1 1 1    8   10   32 o  447.721   17.153  2543.31  191.777  2575.96  234.881  2478.02  332.159  448.830   20.956  433.348   30.897 15.48273 37.33335 
1 1 1    8   10   33 o  305.831   13.174  1179.49  100.608  1174.37  123.067  1189.82  174.693  303.965   16.272  303.214   23.249 0.7505188 28.37741 
1 1 1    8   10   34 o  234.149   11.481  690.035   67.132  665.803   81.996  739.302  116.917  229.044   14.409  239.771   19.701 -10.72670 24.40810 
1 1 1    8   10   35 o  124.164   18.163  200.532   54.651  200.532   54.651   0.0000   0.0000  124.164   18.163  ?   ?  0.000000 18.16296 
1 1 1    8   10   36 o  310.028   24.000  1258.06  184.363  1258.06  184.363   0.0000   0.0000  310.028   24.000  ?   ?  0.000000 24.00047 
1 1 1    8   10   37 o  304.377   13.437  1175.01  102.129  1157.78  125.159  1209.34  176.676  300.418   16.750  303.198   23.519 -2.779846 28.87381 
1 1 1    8   10   38 o   82.811   13.853   89.544   27.636   83.988   33.989  100.382   47.472   79.277   17.625   85.920   22.023 -6.642677 28.20780 
1 1 1    8   10   39 o   96.061   13.154  119.714   30.725  120.564   38.054  118.123   52.078   95.415   16.572   92.618   22.695 2.797478 28.10133 
1 1 1    8   10   40 o  198.472   11.721  503.444   57.835  529.317   71.758  455.482   97.700  202.409   14.289  183.705   21.717 18.70395 25.99628 
1 1 1    8   10   41 f  142.315   14.764  264.830   51.704  269.391   75.117  260.724   71.276  139.749   22.272  137.940   21.384 1.809387 30.87623 
1 1 1    8   10   42 o  140.107   12.269  254.023   42.492  263.774   53.127  236.710   70.792  141.455   15.283  129.999   22.629 11.45627 27.30637 
1 1 1    8   10   43 o  128.562   13.171  216.035   41.687  235.941   52.878  183.345   67.760  132.911   16.271  112.247   24.832 20.66437 29.68815 
1 1 1    8   10   44 o   61.809   19.249   52.507   32.896   64.327   42.968   35.766   51.135   67.908   22.100   59.099   23.378 8.809174 32.17033 
1 1 1    8   10   45 o   78.071   28.700   89.569   73.487   89.569   73.487   0.0000   0.0000   78.071   28.700  ?   ?  0.000000 28.70034 
1 1 1    8   10   46 o   60.840   24.900   38.082   60.179   0.0000   0.0000   38.082   60.179  ?   ?    60.840   24.900 0.000000 24.89986 
1 1 1    8   11    0 o  777.122   33.671  7664.54  653.435  7060.25  922.338  8273.47  925.865  736.963   50.421  800.315   46.528 -63.35223 68.60846 
1 1 1    8   11    1 o  302.739   22.723  1159.37  170.531  1159.37  170.531   0.0000   0.0000  302.739   22.723  ?   ?  0.000000 22.72291 
1 1 1    8   11    2 o  609.927   39.425  4769.92  597.271   0.0000   0.0000  4769.92  597.271  ?   ?   609.927   39.425 0.000000 39.42509 
1 1 1    8   11    3 o  133.339   16.816  226.410   54.747  226.410   54.747   0.0000   0.0000  133.339   16.816  ?   ?  0.000000 16.81604 
1 1 1    8   11    4 o  808.410   28.302  8256.79  571.337  8017.65  699.353  8736.65  990.689  794.044   35.270  820.989   48.538 -26.94421 59.99922 
1 1 1    8   11    5 o  508.077   18.886  3240.06  239.623  3162.72  293.220  3395.55  415.772  501.273   23.424  516.546   32.397 -15.27310 39.97805 
1 1 1    8   11    6 o  644.702   22.841  5228.97  367.729  4987.69  449.963  5714.19  638.095  628.292   28.679  668.351   38.393 -40.05927 47.92228 
1 1 1    8   11    7 o  551.305   24.952  3828.61  343.523  3985.08  485.756  3672.06  485.874  559.060   34.970  536.064   36.513 22.99597 50.55822 
1 1 1    8   11    8 o  893.913   31.578 10116.28  704.912  9919.36  863.032 10510.95  1221.81  881.904   39.188  897.422   54.782 -15.51782 67.35596 
1 1 1    8   11    9 o  374.468   14.727  1756.02  137.713  1699.06  168.465  1870.76  239.093  368.047   18.330  384.648   25.028 -16.60086 31.02204 
1 1 1    8   11   10 o  815.458   24.759  8370.77  504.173  8856.00  713.580  7887.09  712.438  835.687   34.194  787.913   36.209 47.77362 49.80284 
1 1 1    8   11   11 o  410.986   13.809  2114.28  141.719  2109.47  200.403  2119.08  200.439  410.003   19.573  410.940   19.532 -0.9372864 27.65195 
1 1 1    8   11   12 o  205.330   8.8863  526.952   45.564  542.298   64.458  511.625   64.417  207.824   12.478  201.803   12.849 6.020279 17.91121 
1 1 1    8   11   13 o  431.722   13.817  2332.92  148.959  2226.91  210.550  2439.15  210.769  421.229   20.016  440.942   19.141 -19.71307 27.69571 
1 1 1    8   11   14 o  591.480   18.572  4387.87  274.315  4287.78  387.888  4488.01  387.991  583.316   26.629  596.902   26.030 -13.58606 37.23759 
1 1 1    8   11   15 o  843.107   25.836  8954.43  543.949  8856.11  769.222  9052.77  769.299  834.640   36.906  844.021   36.500 -9.380981 51.90689 
1 1 1    8   11   16 o  189.590   8.6706  449.266   41.050  467.471   58.405  431.492   57.709  192.913   12.186  185.274   12.547 7.638931 17.49114 
1 1 1    8   11   17 o  452.566   14.877  2565.60  168.127  2488.69  237.850  2642.42  237.685  444.961   21.406  458.589   20.755 -13.62872 29.81585 
1 1 1    8   11   18 o  476.244   15.484  2842.66  184.143  2875.33  260.646  2810.11  260.189  478.081   21.832  472.592   22.047 5.488495 31.02778 
1 1 1    8   11   19 o  491.662   15.786  3031.49  193.818  2982.47  274.238  3080.41  273.963  486.562   22.570  494.561   22.183 -7.999054 31.64665 
1 1 1    8   11   20 f  895.365   27.400 10159.20  612.630 10431.23  866.815  9887.71  865.964  900.816   38.534  876.348   39.571 24.46796 55.23287 
1 1 1    8   11   21 o  720.758   22.375  6559.59  402.714  6563.31  569.582  6555.86  569.464  716.883   31.817  716.469   31.829 0.4131470 45.00420 
1 1 1    8   11   22 f  293.599   10.296  1079.24   75.491  1090.97  106.950  1067.59  106.570  294.791   14.528  291.233   14.701 3.558868 20.66874 
1 1 1    8   11   23 o  226.040   9.8775  639.799   55.755  674.376   78.817  605.165   78.882  231.362   13.703  219.002   14.506 12.35968 19.95474 
1 1 1    8   11   24 o  260.209   10.408  848.508   67.631  871.810   95.411  824.976   95.881  262.898   14.591  255.626   15.087 7.271866 20.98820 
1 1 1    8   11   25 f   85.015   13.691   93.139   28.078  117.127   34.339   44.743   48.774   95.338   14.912   64.759   23.446 30.57943 27.78629 
1 1 1    8   11   26 o  515.159   24.523  3397.79  315.474  3695.09  444.627  3096.39  447.685  530.480   33.740  482.711   37.432 47.76898 50.39361 
1 1 1    8   11   27 o  208.785   9.9817  546.742   52.042  514.406   63.740  611.408   90.137  201.844   12.711  219.319   16.580 -17.47502 20.89179 
1 1 1    8   11   28 o  336.686   13.697  1428.05  115.158  1467.42  141.057  1349.37  199.412  340.591   16.585  323.117   24.906 17.47461 29.92258 
1 1 1    8   11   29 o  229.047   10.206  658.435   58.378  654.439   71.589  666.367  100.856  227.696   12.640  228.563   17.811 -0.8675537 21.84048 
1 1 1    8   11   30 o  221.870   10.861  618.354   60.173  590.033   73.690  675.028  104.243  215.916   13.738  229.853   18.313 -13.93678 22.89368 
1 1 1    8   11   31 o  400.291   15.186  2024.93  151.798  2069.22  186.106  1936.89  262.380  403.488   18.470  385.442   27.439 18.04648 33.07641 
1 1 1    8   11   32 o  333.340   17.383  1413.78  144.194  1372.35  204.952  1454.38  202.906  324.967   25.459  335.108   24.415 -10.14078 35.27423 
1 1 1    8   11   33 o  242.646   11.185  740.348   67.774  701.839   83.097  816.864  117.133  235.331   14.207  252.637   18.699 -17.30629 23.48408 
1 1 1    8   11   34 o  173.210   10.697  378.567   46.044  374.764   56.628  385.984   79.092  171.845   13.300  173.115   18.587 -1.270325 22.85489 
1 1 1    8   11   35 o  163.103   10.576  335.921   42.844  323.904   52.790  359.113   73.334  159.607   13.368  166.994   17.863 -7.386276 22.31086 
1 1 1    8   11   36 o  197.764   11.264  494.345   55.395  499.481   68.088  484.289   95.270  198.183   13.845  193.227   20.035 4.955307 24.35352 
1 1 1    8   11   37 o  258.090   21.850  870.235  139.502  870.235  139.502   0.0000   0.0000  258.090   21.850  ?   ?  0.000000 21.85021 
1 1 1    8   11   38 f  112.026   12.117  160.742   33.356  150.052   41.032  181.571   57.276  107.249   15.794  116.709   20.395 -9.459839 25.79522 
1 1 1    8   11   39 o  198.395   11.570  500.821   57.071  493.434   70.445  514.929   97.355  195.883   14.505  197.604   20.005 -1.721771 24.70989 
1 1 1    8   11   40 o  148.988   11.594  283.980   42.795  299.652   53.389  255.814   71.574  152.169   14.215  137.395   21.572 14.77432 25.83379 
1 1 1    8   11   41 o   46.597   17.108   23.627   26.100  -3.4666   33.429   65.925   41.769   40.386   17.612   69.717   21.686 -29.33097 27.93676 
1 1 1    8   11   42 o  137.490   15.153  248.716   51.163  213.574   74.800  279.613   70.136  121.930   25.391  143.219   20.169 -21.28926 32.42713 
1 1 1    8   11   43 o  168.423   12.301  367.026   51.379  382.630   65.019  341.083   83.838  170.296   15.458  156.514   22.062 13.78195 26.93869 
1 1 1    8   11   44 o  130.844   13.578  224.912   43.719  242.071   56.224  198.669   69.531  133.863   17.219  116.625   24.646 17.23855 30.06520 
1 1 1    8   11   45 o   57.297   19.789   43.072   34.412   39.335   46.591   47.558   51.046   58.672   22.572   62.486   23.724 -3.813797 32.74668 
1 1 1    8   11   46 o   92.885   26.718  135.652   65.296   0.0000   0.0000  135.652   65.296  ?   ?    92.885   26.718 0.000000 26.71827 
1 1 1    8   12    0 o  709.893   31.397  6381.64  556.586  6456.91  786.915  6306.27  787.347  707.687   44.759  699.062   45.347 8.625000 63.71592 
1 1 1    8   12    1 o  149.825   17.345  285.212   63.694  285.212   63.694   0.0000   0.0000  149.825   17.345  ?   ?  0.000000 17.34474 
1 1 1    8   12    2 o  1008.88   64.882 13523.05  1625.94 13523.05  1625.94   0.0000   0.0000  1008.88   64.882  ?   ?  0.000000 64.88202 
1 1 1    8   12    3 o  653.619   29.032  5398.77  473.859  5291.59  669.657  5506.26  670.619  641.647   42.025  654.936   41.214 -13.28937 58.86205 
1 1 1    8   12    4 o  575.901   25.944  4181.00  373.112  4176.82  527.429  4185.19  527.891  571.625   37.151  572.202   37.145 -0.5771484 52.53492 
1 1 1    8   12    5 o  496.105   22.820  3095.81  282.709  3112.34  399.632  3079.25  399.990  494.533   32.542  491.825   32.755 2.707520 46.17244 
1 1 1    8   12    6 o  186.028   10.285  434.054   47.594  466.227   58.105  368.459   82.966  192.656   12.140  170.171   19.900 22.48567 23.31032 
1 1 1    8   12    7 o  862.129   30.137  9397.80  648.819  9708.68  794.927  8777.38  1122.97  873.758   36.432  819.610   55.188 54.14746 66.12895 
1 1 1    8   12    8 o  634.756   28.230  5085.88  447.467  5387.25  632.941  4784.75  632.687  648.916   39.244  610.444   41.755 38.47150 57.30230 
1 1 1    8   12    9 o  357.490   12.741  1599.20  113.744  1395.67  138.760  2016.10  198.588  333.707   16.651  400.764   19.843 -67.05728 25.90404 
1 1 1    8   12   10 o  579.592   21.116  4219.35  305.620  4090.09  374.026  4479.02  530.148  569.719   26.290  592.797   35.983 -23.07813 44.56408 
1 1 1    8   12   11 o  284.561   10.555  1012.54   75.002  869.411   91.344  1308.70  131.399  263.172   13.949  322.770   16.356 -59.59741 21.49609 
1 1 1    8   12   12 o  689.101   24.737  5976.80  425.673  6026.05  521.319  5878.28  737.348  690.574   30.230  676.306   43.897 14.26794 53.29923 
1 1 1    8   12   13 o  206.293   8.7622  531.900   45.139  549.865   63.945  514.057   63.727  209.286   12.289  202.296   12.679 6.989975 17.65737 
1 1 1    8   12   14 o  257.402   9.8643  828.341   63.405  868.814   89.847  788.188   89.492  263.100   13.723  250.495   14.367 12.60509 19.86733 
1 1 1    8   12   15 o  1474.71   45.018 27909.33  1657.85 27955.02  2344.66 27863.64  2344.45  1455.31   64.517  1452.81   64.622 2.508911 91.31508 
1 1 1    8   12   16 o  358.550   12.387  1608.69  110.908  1607.03  156.948  1610.33  156.747  357.972   17.557  358.343   17.517 -0.3711243 24.80103 
1 1 1    8   12   17 f  567.087   20.514  4040.91  290.507  4250.46  356.161  3624.36  502.148  580.810   24.556  531.697   38.072 49.11285 45.30399 
1 1 1    8   12   18 o  267.623   11.532  896.215   77.066  848.374   94.587  990.693  132.921  259.800   14.639  280.204   19.110 -20.40402 24.07291 
1 1 1    8   12   19 f  314.147   12.026  1235.46   94.344  1396.18  115.993  921.323  162.166  333.807   13.915  269.118   24.396 64.68903 28.08527 
1 1 1    8   12   20 o  443.800   14.285  2469.48  158.309  2653.28  224.362  2287.24  223.408  459.182   19.567  426.082   20.997 33.10004 28.70045 
1 1 1    8   12   21 o  624.137   19.369  4906.08  301.885  5253.91  427.444  4559.91  426.419  643.434   26.603  598.713   28.521 44.72144 39.00199 
1 1 1    8   12   22 o  287.532   10.684  1035.37   76.710  1107.39  108.682  963.868  108.287  296.973   14.655  276.502   15.748 20.47165 21.51225 
1 1 1    8   12   23 o  506.220   16.156  3224.67  204.228  3279.29  288.899  3170.11  288.746  508.553   22.749  499.886   23.131 8.667603 32.44307 
1 1 1    8   12   24 o  292.267   11.029  1070.98   80.491  1088.13  113.686  1053.73  113.979  293.595   15.562  288.842   15.863 4.753418 22.22155 
1 1 1    8   12   25 o  413.890   14.182  2155.41  146.581  2257.57  207.109  2052.88  207.484  422.101   19.649  401.664   20.757 20.43701 28.58161 
1 1 1    8   12   26 f  630.258   19.791  5041.84  311.484  4975.71  440.065  5108.23  440.946  620.788   28.387  629.237   28.062 -8.448547 39.91636 
1 1 1    8   12   28 o  410.467   28.639  2195.12  291.717  2195.12  291.717   0.0000   0.0000  410.467   28.639  ?   ?  0.000000 28.63939 
1 1 1    8   12   29 o  291.039   12.572  1065.89   91.371  1030.50  111.912  1136.65  158.239  285.111   15.780  297.632   21.434 -12.52115 26.61620 
1 1 1    8   12   30 o  184.058   10.243  426.558   46.894  384.554   57.479  510.162   81.092  174.213   13.313  200.128   16.370 -25.91499 21.09984 
1 1 1    8   12   31 o  276.048   12.136  958.798   83.657  918.978  102.577  1037.89  144.568  269.225   15.321  284.517   20.485 -15.29147 25.58031 
1 1 1    8   12   32 o  262.837   11.946  869.206   78.406  827.817   96.175  951.229  135.391  255.481   15.142  272.390   20.045 -16.90869 25.12171 
1 1 1    8   12   33 o  205.800   10.731  533.657   54.956  507.348   67.653  584.701   94.232  200.090   13.621  213.805   17.811 -13.71500 22.42256 
1 1 1    8   12   34 o  387.201   19.151  1912.41  185.170  1946.39  263.328  1879.17  260.437  385.454   27.539  378.579   27.741 6.874512 39.08922 
1 1 1    8   12   35 o  253.070   11.946  806.867   75.495  832.706   92.906  756.635  129.535  256.132   14.586  241.717   21.691 14.41457 26.13865 
1 1 1    8   12   36 o  243.495   11.788  747.500   71.675  656.951   88.046  925.411  123.414  226.934   15.632  268.441   18.524 -41.50699 24.23827 
1 1 1    8   12   37 o  289.565   12.957  1061.09   93.692  1049.89  115.227  1082.94  160.950  286.543   16.169  287.878   22.570 -1.334503 27.76400 
1 1 1    8   12   38 o  383.673   15.422  1879.67  147.754  2007.45  181.780  1630.89  253.648  394.618   18.447  346.265   29.619 48.35309 34.89360 
1 1 1    8   12   39 o  116.452   21.422  182.868   60.000  182.868   60.000   0.0000   0.0000  116.452   21.422  ?   ?  0.000000 21.42183 
1 1 1    8   12   40 o  147.045   11.705  276.576   42.624  256.234   53.717  311.157   70.038  140.200   15.608  153.344   18.676 -13.14368 24.33926 
1 1 1    8   12   41 o  173.836   11.843  387.333   51.102  386.929   64.126  388.036   84.592  172.394   15.047  169.851   20.349 2.543686 25.30777 
1 1 1    8   12   42 o  241.223   12.619  749.299   75.750  771.514   94.212  708.673  127.403  242.844   15.618  227.011   22.781 15.83383 27.62110 
1 1 1    8   12   43 o   97.968   15.424  128.107   36.485  101.033   47.887  165.571   56.331   84.283   22.378  108.732   21.508 -24.44894 31.03801 
1 1 1    8   12   44 o  174.875   15.114  403.707   65.354  462.052   96.567  354.400   88.773  182.240   21.643  158.247   23.149 23.99268 31.69038 
1 1 1    8   12   45 o   84.911   18.723  101.075   38.632   60.925   52.164  149.841   57.490   67.440   24.271  101.279   23.226 -33.83887 33.59368 
1 1 1    8   13    0 o  882.723   38.660  9942.56  852.188 10276.44  1205.31  9608.83  1205.04  886.472   54.716  855.661   56.718 30.81055 78.80806 
1 1 1    8   13    1 o  333.030   17.058  1394.26  141.388  1443.16  199.637  1345.04  200.269  337.766   23.821  325.843   24.799 11.92270 34.38643 
1 1 1    8   13    2 o  329.320   24.000  1372.41  196.008  1372.41  196.008   0.0000   0.0000  329.320   24.000  ?   ?  0.000000 23.99957 
1 1 1    8   13    3 o  779.831   49.746  7890.23  963.691  7890.23  963.691   0.0000   0.0000  779.831   49.746  ?   ?  0.000000 49.74592 
1 1 1    8   13    4 o  336.029   17.063  1419.30  142.708  1414.65  201.336  1424.00  202.306  334.340   24.280  335.443   24.316 -1.102631 34.36311 
1 1 1    8   13    5 o  777.292   34.118  7668.04  662.238  7513.67  935.967  7822.79  937.125  761.207   49.508  777.331   48.519 -16.12445 69.31939 
1 1 1    8   13    6 o  635.919   28.267  5105.84  448.882  4949.05  634.259  5263.18  635.372  620.984   41.134  640.977   39.893 -19.99335 57.30133 
1 1 1    8   13    7 o  544.519   17.372  3717.61  236.212  3275.65  288.396  4618.38  411.722  510.387   22.628  605.070   27.249 -94.68353 35.41904 
1 1 1    8   13    8 o  782.435   33.734  7763.44  659.115  7065.89  930.524  8465.83  933.745  737.729   50.820  810.353   46.335 -72.62408 68.77237 
1 1 1    8   13    9 o  509.924   22.450  3268.88  285.871  2820.53  402.914  3723.38  405.667  470.276   34.551  541.947   30.094 -71.67178 45.81916 
1 1 1    8   13   10 o  824.901   28.845  8591.78  594.179  8210.54  727.144  9357.87  1030.78  803.814   36.225  850.916   48.712 -47.10150 60.70533 
1 1 1    8   13   11 o  579.345   19.733  4212.75  285.477  3826.98  348.962  4993.29  496.384  551.249   25.350  627.362   31.788 -76.11267 40.65872 
1 1 1    8   13   12 o  415.176   15.849  2159.50  164.320  2066.33  200.941  2347.57  285.487  405.734   19.833  430.745   26.672 -25.01160 33.23745 
1 1 1    8   13   13 o  448.069   16.996  2516.59  190.169  2508.54  232.771  2532.75  329.772  446.910   20.857  446.758   29.729 0.1518250 36.31571 
1 1 1    8   13   14 o  508.952   18.658  3249.84  237.137  3094.60  290.118  3562.35  411.630  495.963   23.425  529.687   31.258 -33.72415 39.06153 
1 1 1    8   13   15 o  451.672   14.458  2554.81  163.070  2693.64  230.846  2416.53  230.387  463.159   19.959  438.551   21.037 24.60767 28.99876 
1 1 1    8   13   16 o  369.905   16.317  1715.21  150.724  2151.69  214.746  1291.44  211.600  413.268   20.876  318.811   26.828 94.45679 33.99342 
1 1 1    8   13   17 o  387.435   18.571  1884.44  179.677  1948.02  254.800  1821.56  253.409  392.022   26.178  378.855   26.961 13.16684 37.57952 
1 1 1    8   13   18 o  1266.38   56.227 21113.00  1778.12 21515.55  2515.56 20711.04  2513.73  1241.75   81.578  1215.51   83.318 26.23743 116.6056 
1 1 1    8   13   19 o  299.323   16.044  1127.34  119.487  823.997  169.227  1428.93  168.735  253.733   27.128  336.398   20.180 -82.66489 33.81072 
1 1 1    8   13   20 o  329.886   16.749  1370.36  137.523  945.977  194.454  1795.03  194.520  271.329   29.157  376.880   20.749 -105.5511 35.78562 
1 1 1    8   13   21 o  780.483   34.392  7821.58  670.302  7144.74  947.288  8500.32  948.612  731.430   52.206  802.449   47.551 -71.01935 70.61577 
1 1 1    8   13   22 o  795.331   35.338  8164.99  701.843  8394.27  993.401  7936.50  991.713  791.773   50.506  768.263   51.998 23.50995 72.48934 
1 1 1    8   13   23 o  278.103   10.700  969.076   74.310  938.371  104.980  999.910  105.202  272.710   15.479  281.622   15.013 -8.912659 21.56394 
1 1 1    8   13   24 o  375.363   12.991  1769.58  121.770  1710.29  172.002  1829.15  172.416  367.384   18.811  380.574   18.142 -13.19028 26.13437 
1 1 1    8   13   25 o  310.427   11.415  1209.30   88.487  1222.15  124.868  1196.33  125.414  310.885   16.140  307.513   16.391 3.371765 23.00322 
1 1 1    8   13   26 o  599.106   22.039  4574.31  329.722  4681.92  404.022  4359.71  570.542  603.175   26.823  570.346   40.319 32.82910 48.42598 
1 1 1    8   13   27 o  282.773   12.585  1005.59   88.870  993.241  108.837  1030.31  153.944  280.068   15.624  283.378   21.925 -3.310150 26.92242 
1 1 1    8   13   28 o  108.760   9.1611  149.325   24.649  131.293   30.328  184.414   42.308  101.468   12.215  120.106   14.393 -18.63778 18.87718 
1 1 1    8   13   29 o  228.991   11.636  660.781   66.317  618.084   81.273  745.854  114.720  220.810   14.825  241.497   19.181 -20.68671 24.24244 
1 1 1    8   13   30 o  514.378   35.176  3525.53  449.123  3525.53  449.123   0.0000   0.0000  514.378   35.176  ?   ?  0.000000 35.17593 
1 1 1    8   13   31 f  368.502   14.839  1715.03  136.552  1640.96  167.288  1862.93  236.381  358.784   18.737  379.322   25.097 -20.53763 31.31932 
1 1 1    8   13   32 o  139.421   9.9406  245.208   34.382  227.773   42.440  278.505   58.650  133.872   12.853  147.467   16.193 -13.59491 20.67399 
1 1 1    8   13   33 o  118.515   10.565  177.840   30.940  162.401   38.455  206.179   52.100  112.601   13.977  126.429   16.927 -13.82787 21.95159 
1 1 1    8   13   34 o  227.969   11.269  653.711   64.150  661.484   79.118  638.794  109.602  228.466   13.934  222.796   19.909 5.669800 24.30121 
1 1 1    8   13   35 o  216.376   11.296  590.790   60.824  560.258   75.261  648.278  103.274  209.989   14.440  224.739   18.568 -14.75027 23.52220 
1 1 1    8   13   36 o  254.014   15.274  821.358   96.438  783.014  138.969  856.977  133.939  245.054   22.978  257.319   21.028 -12.26523 31.14712 
1 1 1    8   13   37 o  402.812   16.151  2067.47  162.463  2112.97  199.555  1978.03  279.775  405.228   19.720  384.307   29.375 20.92123 35.38069 
1 1 1    8   13   38 o  182.197   11.133  420.741   50.412  438.052   63.087  390.164   83.848  185.213   13.738  172.663   19.805 12.54947 24.10322 
1 1 1    8   13   39 o  118.364   12.351  179.673   35.970  120.761   45.627  276.392   58.463   94.688   19.927  145.840   16.333 -51.15208 25.76577 
1 1 1    8   13   40 o  187.194   11.426  446.500   53.157  493.324   67.098  367.582   87.110  195.916   13.803  165.516   21.590 30.39990 25.62495 
1 1 1    8   13   41 o   72.564   25.431   67.657   56.930   67.657   56.930   0.0000   0.0000   72.564   25.431  ?   ?  0.000000 25.43060 
1 1 1    8   13   42 o  115.899   13.423  175.075   38.129  162.033   50.277  192.728   58.495  109.156   19.143  118.614   20.489 -9.458374 28.04037 
1 1 1    8   13   43 o  129.403   13.075  218.004   41.672  230.556   55.006  201.096   63.841  131.234   17.199  119.875   22.142 11.35874 28.03707 
1 1 1    8   13   44 o   37.522   16.432  -3.6678   29.374 -31.3980   43.041   20.509   40.189   39.217   18.226   50.834   20.516 -11.61718 27.44272 
1 1 1    8   13   45 o   60.758   22.899   43.999   47.338   0.0000   0.0000   43.999   47.338  ?   ?    60.758   22.899 0.000000 22.89941 
1 1 1    8   14    0 o  888.859   57.054 10396.50  1259.71   0.0000   0.0000 10396.50  1259.71  ?   ?   888.859   57.054 0.000000 57.05415 
1 1 1    8   14    1 o  291.256   22.247  1073.19  160.580  1073.19  160.580   0.0000   0.0000  291.256   22.247  ?   ?  0.000000 22.24662 
1 1 1    8   14    2 o  320.597   16.143  1291.53  128.822  1117.75  180.910  1470.28  183.480  296.872   24.625  341.297   21.640 -44.42441 32.78262 
1 1 1    8   14    3 o  311.386   16.006  1218.37  124.041  1121.32  173.734  1319.29  177.158  297.558   23.574  323.165   22.085 -25.60739 32.30268 
1 1 1    8   14    4 o  502.504   33.161  3216.31  413.777  3216.31  413.777   0.0000   0.0000  502.504   33.161  ?   ?  0.000000 33.16079 
1 1 1    8   14    5 o  787.424   34.584  7874.80  680.032  7809.66  961.191  7940.08  962.231  775.688   49.886  782.387   49.505 -6.699463 70.28104 
1 1 1    8   14    6 o  375.002   18.252  1764.18  170.918  1705.87  241.016  1823.17  242.419  366.872   26.486  379.489   25.733 -12.61658 36.92799 
1 1 1    8   14    7 o  516.227   23.536  3353.41  303.405  3265.83  428.528  3441.45  429.634  506.199   34.099  519.940   33.264 -13.74091 47.63674 
1 1 1    8   14    8 o  402.637   19.331  2034.77  194.364  2071.15  274.550  1998.22  275.196  404.271   27.357  396.931   27.942 7.339020 39.10418 
1 1 1    8   14    9 o  267.370   14.389  897.725   95.718  801.052  134.146  997.996  136.619  251.571   21.562  281.299   19.571 -29.72725 29.11900 
1 1 1    8   14   10 o  556.166   20.230  3884.12  280.960  4084.89  344.195  3483.23  486.381  569.666   24.195  521.811   37.578 47.85510 44.69342 
1 1 1    8   14   11 o  1152.70   40.506 16968.75  1165.96 16392.93  1427.17 18124.44  2021.87  1125.83   50.764  1164.28   69.865 -38.44824 86.36020 
1 1 1    8   14   12 o  231.850   11.314  672.376   65.505  722.625   79.948  569.737  114.262  239.900   13.399  211.792   21.922 28.10811 25.69219 
1 1 1    8   14   13 o  704.901   25.120  6259.58  442.186  6147.01  541.283  6485.43  766.689  696.888   31.104  710.042   43.449 -13.15430 53.43447 
1 1 1    8   14   14 o  499.905   18.669  3136.06  233.053  3132.95  285.274  3142.30  404.102  499.025   22.892  496.784   32.758 2.241364 39.96432 
1 1 1    8   14   15 o  613.200   21.997  4728.95  336.835  4558.10  412.215  5072.25  584.327  600.810   27.475  629.787   37.321 -28.97638 46.34349 
1 1 1    8   14   16 o  307.252   22.886  1194.84  174.339  1194.84  174.339   0.0000   0.0000  307.252   22.886  ?   ?  0.000000 22.88617 
1 1 1    8   14   17 o  337.591   24.359  1444.42  203.976  1444.42  203.976   0.0000   0.0000  337.591   24.359  ?   ?  0.000000 24.35924 
1 1 1    8   14   18 o  478.931   14.872  2875.56  177.864  3159.72  251.971  2593.36  251.106  501.195   20.132  453.706   22.163 47.48883 29.94187 
1 1 1    8   14   19 o  590.735   18.641  4387.82  274.983  4228.40  388.827  4547.34  388.944  577.709   26.952  599.407   25.985 -21.69775 37.43824 
1 1 1    8   14   20 o  771.389   23.589  7522.59  454.392  7590.56  642.821  7454.70  642.395  770.084   33.427  763.000   33.715 7.084351 47.47739 
1 1 1    8   14   21 o  897.266   27.449 10242.63  615.028 10465.53  870.144 10020.10  869.418  898.701   38.773  878.659   39.624 20.04272 55.43801 
1 1 1    8   14   22 o  396.994   12.716  1976.82  126.067  2240.47  178.700  1715.61  177.874  421.893   16.962  368.229   19.412 53.66388 25.77878 
1 1 1    8   14   23 o  164.447   9.1649  339.606   37.486  341.006   52.939  338.198   53.089  164.312   13.008  163.615   13.104 0.6969147 18.46401 
1 1 1    8   14   24 o  449.390   20.715  2560.33  232.466  2775.28  329.895  2348.33  327.629  463.893   28.618  425.372   31.058 38.52039 42.23232 
1 1 1    8   14   25 o  292.625   15.592  1082.46  113.524  1098.03  161.794  1067.36  159.330  292.873   22.290  288.738   22.269 4.134949 31.50804 
1 1 1    8   14   26 f  535.197   36.188  3793.08  480.801   0.0000   0.0000  3793.08  480.801  ?   ?   535.197   36.188 0.000000 36.18763 
1 1 1    8   14   27 o  136.232   8.8654  233.542   29.996  209.472   37.011  279.611   51.203  128.606   11.651  148.339   13.988 -19.73351 18.20452 
1 1 1    8   14   28 o  331.926   13.344  1387.41  110.604  1385.56  135.672  1391.08  190.979  330.984   16.415  328.711   23.419 2.273376 28.59886 
1 1 1    8   14   29 o  412.216   15.861  2148.23  163.268  2208.37  200.239  2028.94  282.010  416.731   19.242  394.093   28.857 22.63766 34.68354 
1 1 1    8   14   30 o  477.491   18.102  2894.60  215.841  2868.64  264.506  2946.33  373.409  473.282   22.380  472.749   31.815 0.5325928 38.89850 
1 1 1    8   14   31 o  412.842   16.076  2156.89  165.738  2105.39  203.165  2259.38  286.568  406.391   20.020  416.276   27.726 -9.884888 34.19817 
1 1 1    8   14   32 o  210.092   18.960  566.039   98.402  566.039   98.402   0.0000   0.0000  210.092   18.960  ?   ?  0.000000 18.96038 
1 1 1    8   14   33 o  164.593   10.662  341.792   43.588  279.879   53.968  457.960   73.924  148.109   14.789  189.581   15.758 -41.47267 21.61078 
1 1 1    8   14   34 o  210.547   11.314  559.203   59.266  548.037   73.378  580.157  100.518  207.813   14.225  212.492   19.149 -4.678345 23.85442 
1 1 1    8   14   35 o   99.956   12.051  127.642   29.475  119.792   37.818  139.788   47.044   95.877   16.384  103.138   18.964 -7.260117 25.06162 
1 1 1    8   14   36 o  532.064   20.184  3632.62  268.177  3579.88  328.855  3737.33  463.351  524.324   25.116  524.052   35.618 0.2725220 43.58296 
1 1 1    8   14   37 o  224.490   11.868  637.794   66.292  586.059   82.437  732.480  111.525  214.137   15.522  238.257   18.900 -24.12013 24.45655 
1 1 1    8   14   38 o  285.604   16.227  1045.87  115.253  1044.65  166.633  1046.99  159.580  281.168   23.961  282.188   22.842 -1.019897 33.10420 
1 1 1    8   14   39 o  164.270   11.558  343.346   47.109  356.504   60.598  323.249   74.893  166.450   14.731  156.667   19.570 9.783295 24.49464 
1 1 1    8   14   40 o  205.382   11.801  537.608   60.272  550.375   75.901  515.817   99.163  206.623   14.808  197.236   20.430 9.387619 25.23203 
1 1 1    8   14   41 o   64.510   17.231   56.142   28.283   58.970   39.230   53.081   40.814   66.597   21.062   64.251   21.563 2.345932 30.14258 
1 1 1    8   14   42 o  139.448   12.382  250.949   42.669  259.557   55.912  238.944   66.030  140.234   16.268  132.370   20.650 7.864517 26.28808 
1 1 1    8   14   43 o   56.545   24.039   12.930   59.307   12.930   59.307   0.0000   0.0000   56.545   24.039  ?   ?  0.000000 24.03911 
1 1 1    8   14   44 o   56.620   19.011   41.578   31.724   55.059   47.511   30.731   42.617   65.308   23.199   55.259   21.496 10.04865 31.62687 
1 1 1    8   14   45 o   66.463   23.159   59.368   47.183   0.0000   0.0000   59.368   47.183  ?   ?    66.463   23.159 0.000000 23.15921 
1 1 1    8   15    0 o  144.880   12.924  264.889   46.267  263.917   63.222  266.010   67.890  143.894   17.987  144.249   19.333 -0.3543091 26.40698 
1 1 1    8   15    1 o  794.640   34.764  8039.08  689.846  7667.77  974.224  8412.48  976.960  765.999   51.226  804.051   48.889 -38.05237 70.81116 
1 1 1    8   15    2 o  600.704   26.992  4557.40  404.902  4562.94  571.863  4551.84  573.377  596.375   38.606  595.579   38.763 0.7957764 54.70873 
1 1 1    8   15    3 o  206.290   13.249  534.972   67.888  515.693   94.477  555.553   97.617  201.791   18.972  209.526   18.859 -7.734985 26.75024 
1 1 1    8   15    4 o  299.608   15.755  1128.11  117.459  1073.56  164.801  1184.43  167.455  291.197   22.847  306.089   22.056 -14.89191 31.75566 
1 1 1    8   15    5 o  176.320   17.783  393.919   77.229  393.919   77.229   0.0000   0.0000  176.320   17.783  ?   ?  0.000000 17.78270 
1 1 1    8   15    6 o  934.532   40.921 11175.40  954.973 11257.95  1350.20 11092.77  1350.87  924.571   58.785  917.336   59.288 7.235107 83.49107 
1 1 1    8   15    7 o  778.517   34.165  7697.41  664.193  7517.72  938.535  7877.69  940.089  760.830   49.671  779.578   48.531 -18.74738 69.44379 
1 1 1    8   15    8 o  408.609   19.553  2096.30  199.510  2104.45  281.562  2088.09  282.740  407.324   27.848  405.679   28.082 1.645660 39.54918 
1 1 1    8   15    9 o  443.458   20.877  2470.98  231.191  2556.76  326.590  2384.81  327.319  448.802   29.301  433.097   30.458 15.70535 42.26443 
1 1 1    8   15   10 o  471.724   21.892  2797.77  257.882  3126.48  364.673  2468.97  364.726  496.410   29.552  439.904   33.452 56.50613 44.63569 
1 1 1    8   15   11 o  375.386   14.637  1764.95  137.206  1687.65  167.642  1921.80  238.791  366.750   18.305  389.837   24.656 -23.08719 30.70814 
1 1 1    8   15   12 o  517.164   19.192  3357.62  247.854  3494.80  303.486  3082.88  429.498  526.991   23.061  491.221   35.248 35.76965 42.12159 
1 1 1    8   15   13 o  487.738   16.784  2982.82  204.427  2720.12  249.733  3516.36  355.900  465.137   21.500  527.102   27.130 -61.96564 34.61687 
1 1 1    8   15   14 o  657.075   23.747  5437.67  389.646  5535.83  477.163  5241.23  675.040  661.614   28.881  637.710   42.635 23.90338 51.49603 
1 1 1    8   15   15 o  966.806   34.216 11890.05  826.070 11837.92  1011.54 11994.44  1431.32  960.087   42.191  950.913   60.592 9.174011 73.83395 
1 1 1    8   15   16 o  633.014   40.858  5163.82  642.422  5163.82  642.422   0.0000   0.0000  633.014   40.858  ?   ?  0.000000 40.85842 
1 1 1    8   15   17 o  254.460   20.500  819.775  129.160  819.775  129.160   0.0000   0.0000  254.460   20.500  ?   ?  0.000000 20.50021 
1 1 1    8   15   18 o  228.780   10.887  655.054   62.200  657.998   75.980  649.071  108.303  228.772   13.358  226.354   19.346 2.418777 23.50974 
1 1 1    8   15   19 o  230.031   11.158  662.471   64.095  676.256   78.386  634.658  111.339  231.867   13.597  223.585   20.158 8.281342 24.31529 
1 1 1    8   15   20 o  349.820   14.157  1535.31  123.675  1519.54  151.521  1566.78  214.066  347.142   17.536  350.875   24.587 -3.733704 30.19930 
1 1 1    8   15   21 o  418.149   13.852  2194.34  144.645  2260.94  204.858  2128.13  204.262  423.415   19.375  410.675   19.918 12.74017 27.78657 
1 1 1    8   15   22 o  295.026   10.964  1090.67   80.776  1121.87  114.436  1059.70  114.034  298.306   15.415  289.826   15.816 8.480103 22.08517 
1 1 1    8   15   23 o  513.592   16.544  3323.64  212.177  3380.41  300.168  3266.94  299.959  515.661   23.310  506.780   23.702 8.881653 33.24421 
1 1 1    8   15   24 o  175.710   6.8172  386.157   29.912  349.131   42.027  424.169   42.583  166.593   10.151  183.784   9.3089 -17.19112 13.77298 
1 1 1    8   15   25 o  372.739   17.099  1755.50  159.155  2054.63  226.728  1464.91  223.466  400.825   22.745  336.637   26.805 64.18805 35.15469 
1 1 1    8   15   26 o  434.676   20.144  2401.47  218.655  2401.47  218.655   0.0000   0.0000  434.676   20.144  ?   ?  0.000000 20.14388 
1 1 1    8   15   27 o  239.490   11.149  720.296   66.677  669.441   81.849  820.630  114.967  230.018   14.321  253.771   18.264 -23.75241 23.20882 
1 1 1    8   15   28 o  283.624   14.935  1018.02  105.408  1116.57  150.744  923.728  147.448  295.346   20.567  267.935   22.238 27.41107 30.29117 
1 1 1    8   15   29 o  258.186   11.648  837.988   75.098  804.052   92.300  904.451  129.172  251.977   14.733  265.909   19.591 -13.93239 24.51239 
1 1 1    8   15   30 o  271.659   12.440  928.804   84.393  822.555  103.597  1138.41  145.507  254.403   16.394  298.390   19.637 -43.98634 25.58118 
1 1 1    8   15   31 o  277.643   12.193  970.018   84.539  945.065  103.997  1018.63  145.156  273.024   15.315  281.728   20.779 -8.703857 25.81346 
1 1 1    8   15   32 o  213.395   10.892  573.682   57.851  603.125   71.720  518.850   97.874  218.367   13.215  200.834   19.772 17.53250 23.78135 
1 1 1    8   15   33 o  186.736   10.931  439.766   50.752  389.034   63.049  533.146   85.538  174.898   14.568  204.346   16.915 -29.44821 22.32362 
1 1 1    8   15   34 o  164.367   18.344  347.933   74.011  347.933   74.011   0.0000   0.0000  164.367   18.344  ?   ?  0.000000 18.34430 
1 1 1    8   15   35 o  254.031   14.779  819.276   93.349  819.813  132.625  818.748  131.415  251.911   21.282  251.820   21.092 0.9106445E-01 29.96343 
1 1 1    8   15   36 o  488.422   18.881  3050.52  230.289  2968.81  282.542  3212.23  397.476  478.646   23.638  488.910   32.745 -10.26437 40.38598 
1 1 1    8   15   37 o  162.582   14.611  337.990   58.686  337.990   58.686   0.0000   0.0000  162.582   14.611  ?   ?  0.000000 14.61078 
1 1 1    8   15   38 f  123.432   12.083  194.476   36.765  187.686   48.379  203.758   56.562  120.093   16.574  124.546   18.769 -4.452797 25.03927 
1 1 1    8   15   39 o  125.119   12.119  200.247   37.392  219.932   49.793  174.791   56.623  130.200   15.627  114.260   20.603 15.93973 25.85877 
1 1 1    8   15   40 o  295.264   16.633  1129.03  122.144  1162.02  177.610  1099.42  168.244  293.595   24.448  286.114   23.763 7.481323 34.09332 
1 1 1    8   15   41 o  221.339   12.378  627.170   68.143  628.464   86.612  625.067  110.396  219.835   15.884  216.294   20.692 3.541489 26.08535 
1 1 1    8   15   42 o  129.901   13.084  218.716   41.866  216.777   56.905  221.004   61.813  127.089   18.471  127.578   20.065 -0.4884949 27.27235 
1 1 1    8   15   43 o  162.762   12.617  342.487   50.882  359.796   68.042  320.527   76.640  164.747   16.773  153.242   20.545 11.50514 26.52208 
1 1 1    8   15   44 o   99.440   16.444  133.157   39.407  118.509   58.093  145.644   53.634   90.197   24.951  101.571   21.798 -11.37355 33.13150 
1 1 1    8   16    0 o  201.487   12.931  510.576   64.720  418.457   88.463  616.667   94.935  181.333   19.861  220.937   17.347 -39.60416 26.36964 
1 1 1    8   16    1 o  544.665   35.890  3805.52  485.417   0.0000   0.0000  3805.52  485.417  ?   ?   544.665   35.890 0.000000 35.89022 
1 1 1    8   16    2 o  482.429   22.460  2931.44  270.583  3014.79  381.879  2847.40  383.449  486.195   31.625  472.099   32.728 14.09644 45.51090 
1 1 1    8   16    3 o  447.885   21.061  2523.42  235.558  2526.67  332.197  2520.14  334.070  445.504   30.036  444.863   30.252 0.6411743 42.62977 
1 1 1    8   16    4 o  554.382   25.183  3877.45  348.630  3924.57  492.386  3830.07  493.691  553.753   35.799  546.808   36.362 6.945435 51.02728 
1 1 1    8   16    5 o  251.121   14.488  792.655   90.471  790.337  126.281  795.100  129.677  249.937   20.411  250.613   20.912 -0.6757660 29.22183 
1 1 1    8   16    6 o  509.363   33.580  3310.96  424.733  3310.96  424.733   0.0000   0.0000  509.363   33.580  ?   ?  0.000000 33.58001 
1 1 1    8   16    7 o  457.008   21.145  2626.07  241.319  2491.09  340.217  2762.75  342.348  442.307   30.998  466.308   29.553 -24.00034 42.82792 
1 1 1    8   16    8 o  877.233   38.493  9830.30  843.223 10081.05  1192.33  9579.41  1192.66  876.847   54.726  853.515   56.273 23.33240 78.49603 
1 1 1    8   16    9 o  532.651   24.279  3574.92  322.946  3600.20  456.073  3549.50  457.359  530.998   34.583  527.110   34.944 3.888245 49.16405 
1 1 1    8   16   10 o  751.633   33.159  7174.63  622.387  7309.83  879.915  7039.26  880.463  750.932   47.163  736.282   48.152 14.65009 67.40146 
1 1 1    8   16   11 o  259.531   21.019  852.256  135.056   0.0000   0.0000  852.256  135.056  ?   ?   259.531   21.019 0.000000 21.01948 
1 1 1    8   16   12 o  250.652   11.732  786.158   73.432  828.488   89.505  699.003  128.430  256.813   14.009  234.673   22.179 22.14093 26.23266 
1 1 1    8   16   13 o  816.503   28.904  8437.00  589.348  8269.51  721.366  8773.21  1022.01  805.454   35.864  820.322   50.131 -14.86841 61.63942 
1 1 1    8   16   14 o  493.882   18.160  3062.38  223.976  3351.61  274.430  2485.40  387.609  516.147   21.292  440.174   35.567 75.97372 41.45273 
1 1 1    8   16   15 o  743.156   26.648  6981.48  494.528  7058.65  605.543  6826.96  856.906  745.004   32.549  723.790   47.677 21.21356 57.72799 
1 1 1    8   16   16 o  433.482   16.698  2358.32  180.758  2404.13  221.148  2266.12  313.748  437.141   20.259  421.504   30.004 15.63748 36.20263 
1 1 1    8   16   17 o  399.828   27.578  2035.48  273.663  2035.48  273.663   0.0000   0.0000  399.828   27.578  ?   ?  0.000000 27.57756 
1 1 1    8   16   18 o  184.839   10.180  428.834   46.810  425.203   56.778  436.538   82.706  183.814   12.443  185.464   18.088 -1.650528 21.95457 
1 1 1    8   16   19 o  344.862   13.907  1491.73  119.765  1500.91  146.557  1473.29  207.794  345.536   16.985  340.227   24.624 5.308624 29.91373 
1 1 1    8   16   20 o  393.442   15.078  1944.17  148.142  1925.51  181.373  1981.57  256.770  390.956   18.578  394.046   26.244 -3.090027 32.15443 
1 1 1    8   16   21 o  222.379   10.449  619.393   58.026  664.826   71.238  529.823  100.024  229.908   12.455  203.904   19.898 26.00313 23.47398 
1 1 1    8   16   22 o  358.790   14.285  1617.77  127.991  1666.97  156.879  1519.82  221.341  363.663   17.275  344.305   25.934 19.35818 31.16074 
1 1 1    8   16   23 o   88.671   8.9382   99.440   19.522  121.021   23.568   52.265   34.844   97.803   9.7809   64.260   19.778 33.54288 22.06397 
1 1 1    8   16   24 o  351.830   14.464  1558.17  127.074  1630.12  155.437  1413.17  220.659  359.230   17.327  330.770   26.949 28.45972 32.03848 
1 1 1    8   16   25 o  111.486   7.4411  156.244   20.597  169.055   25.674  133.108   34.502  115.821   8.9462  101.912   13.921 13.90871 16.54777 
1 1 1    8   16   26 o  137.208   9.2315  237.025   31.446  199.068   38.766  310.058   53.773  125.204   12.569  156.294   13.923 -31.08993 18.75703 
1 1 1    8   16   27 f  258.556   11.426  839.890   73.773  838.308   90.592  843.003  127.108  257.513   14.142  256.675   19.988 0.8378296 24.48529 
1 1 1    8   16   28 o  358.902   14.432  1624.87  129.345  1584.15  158.575  1705.83  223.579  352.923   18.053  363.378   24.787 -10.45428 30.66461 
1 1 1    8   16   29 o  234.244   11.585  689.785   67.766  595.591   83.261  874.631  116.637  216.551   15.499  261.947   17.939 -45.39607 23.70714 
1 1 1    8   16   30 o  682.372   25.156  6005.62  428.655  6007.36  525.189  6002.14  741.899  676.812   31.074  657.751   45.447 19.06097 55.05468 
1 1 1    8   16   31 o  444.258   21.098  2522.50  234.061  2562.93  332.376  2482.73  329.664  441.522   30.330  434.346   30.589 7.175934 43.07658 
1 1 1    8   16   32 o  191.505   11.166  462.552   53.167  390.112   65.999  596.461   89.734  175.017   15.254  216.303   16.743 -41.28645 22.64970 
1 1 1    8   16   33 o  210.625   11.085  559.254   58.098  547.003   72.275  581.626   97.671  207.706   14.016  213.019   18.546 -5.313187 23.24691 
1 1 1    8   16   34 o  198.341   11.127  496.277   54.888  488.138   68.612  510.744   91.473  196.094   14.106  199.430   18.581 -3.336472 23.32902 
1 1 1    8   16   35 o  232.001   12.086  679.938   69.779  605.349   86.749  816.658  117.448  217.885   16.057  252.346   18.772 -34.46100 24.70263 
1 1 1    8   16   36 o  172.445   14.102  378.709   60.195  378.709   60.195   0.0000   0.0000  172.445   14.102  ?   ?  0.000000 14.10172 
1 1 1    8   16   37 o  227.192   21.260  671.914  119.216  671.914  119.216   0.0000   0.0000  227.192   21.260  ?   ?  0.000000 21.26035 
1 1 1    8   16   38 o  181.410   11.756  417.638   52.969  382.833   67.528  473.305   85.399  172.504   15.853  191.145   18.107 -18.64136 24.06655 
1 1 1    8   16   39 o   68.684   16.500   62.913   27.946   59.747   40.926   65.680   38.253   67.804   21.520   70.224   20.523 -2.419640 29.73711 
1 1 1    8   16   40 o  164.364   11.851  344.805   48.318  351.321   63.281  335.696   74.822  164.640   15.577  159.426   19.179 5.214661 24.70778 
1 1 1    8   16   41 o  269.996   13.182  932.977   88.876  930.375  111.789  937.449  146.524  267.103   16.846  263.850   22.452 3.252991 28.06903 
1 1 1    8   16   42 o   52.542   18.960   31.862   31.857   39.951   64.985   29.303   36.550   65.698   26.238   53.110   20.096 12.58769 33.05020 
1 1 1    8   16   43 o  126.542   13.501  208.759   42.004  257.294   60.436  163.409   58.420  138.570   17.883  107.878   22.418 30.69202 28.67661 
1 1 1    8   16   44 o   94.093   22.281  125.819   51.545   0.0000   0.0000  125.819   51.545  ?   ?    94.093   22.281 0.000000 22.28130 
1 1 1    8   17    0 o  538.707   24.616  3672.69  331.151  3639.84  467.004  3705.91  469.643  531.434   35.393  536.315   35.263 -4.880981 49.96141 
1 1 1    8   17    1 o  602.989   27.133  4610.09  408.565  4532.49  576.656  4688.30  578.947  591.824   39.241  602.235   38.702 -10.41132 55.11529 
1 1 1    8   17    2 o  261.715   21.486  868.716  139.181   0.0000   0.0000  868.716  139.181  ?   ?   261.715   21.486 0.000000 21.48578 
1 1 1    8   17    3 o  443.058   21.036  2471.68  232.745  2564.85  328.190  2377.42  330.121  448.615   29.459  431.417   30.846 17.19769 42.65351 
1 1 1    8   17    4 f  560.946   25.407  3975.61  355.897  3935.46  502.257  4016.11  504.378  553.526   36.542  559.290   36.310 -5.764648 51.51407 
1 1 1    8   17    5 o  507.842   23.189  3251.21  294.077  3138.33  414.674  3365.43  417.111  495.241   33.731  513.287   32.712 -18.04538 46.98822 
1 1 1    8   17    6 o  156.438   12.717  308.441   49.248  336.593   67.515  276.430   71.995  162.927   16.837  146.930   20.153 15.99727 26.26049 
1 1 1    8   17    7 o  329.275   23.974  1374.21  195.773  1374.21  195.773   0.0000   0.0000  329.275   23.974  ?   ?  0.000000 23.97369 
1 1 1    8   17    8 o  493.002   22.798  3061.72  280.664  3107.26  396.124  3015.81  397.720  493.465   32.324  485.905   32.973 7.559448 46.17424 
1 1 1    8   17    9 o  349.462   17.778  1536.95  154.636  1660.05  217.897  1412.04  219.487  362.031   24.242  333.262   26.595 28.76868 35.98601 
1 1 1    8   17   10 o  407.143   19.259  2082.85  195.807  1960.49  275.718  2207.36  278.123  392.594   28.314  417.067   26.847 -24.47296 39.01810 
1 1 1    8   17   11 o  135.613   11.640  231.848   39.035  170.136   52.752  306.537   58.034  114.873   19.058  155.654   15.121 -40.78183 24.32771 
1 1 1    8   17   12 o  410.645   28.302  2144.71  288.448   0.0000   0.0000  2144.71  288.448  ?   ?   410.645   28.302 0.000000 28.30153 
1 1 1    8   17   13 f  574.730   21.066  4157.15  302.341  4289.50  370.121  3891.74  524.153  582.753   25.434  549.816   38.417 32.93652 46.07347 
1 1 1    8   17   14 o  302.539   12.575  1146.21   95.007  1081.48  115.654  1280.53  166.608  293.196   15.855  318.249   21.084 -25.05243 26.37999 
1 1 1    8   17   15 o  324.629   13.597  1320.58  110.225  1367.70  134.600  1224.65  192.053  330.107   16.328  310.320   24.995 19.78629 29.85594 
1 1 1    8   17   16 o  504.863   18.907  3206.16  238.369  3285.64  291.731  3046.51  413.465  510.204   22.898  486.951   34.219 23.25284 41.17340 
1 1 1    8   17   17 o  357.257   25.332  1624.08  224.531  1624.08  224.531   0.0000   0.0000  357.257   25.332  ?   ?  0.000000 25.33202 
1 1 1    8   17   18 o  122.351   9.5816  188.464   29.041  205.867   34.537  146.460   53.656  127.759   10.931  105.933   21.025 21.82581 23.69661 
1 1 1    8   17   19 o  335.827   13.845  1415.17  116.104  1457.58  141.928  1329.37  201.867  340.440   16.695  322.698   25.252 17.74164 30.27163 
1 1 1    8   17   20 o  335.288   13.837  1411.26  115.857  1496.74  141.760  1239.30  201.055  344.908   16.459  311.021   26.129 33.88684 30.88048 
1 1 1    8   17   21 f  174.966   9.7474  384.544   42.420  395.454   51.816  362.375   73.865  177.198   11.777  168.620   17.812 8.578934 21.35299 
1 1 1    8   17   22 o  890.996   40.174 10461.39  893.865 10522.68  1264.19 10400.12  1264.05  866.793   58.751  861.097   59.143 5.695923 83.36407 
1 1 1    8   17   23 o  569.720   38.037  4289.58  538.047  4289.58  538.047   0.0000   0.0000  569.720   38.037  ?   ?  0.000000 38.03741 
1 1 1    8   17   29 o  195.945   18.061  491.385   87.380  491.385   87.380   0.0000   0.0000  195.945   18.061  ?   ?  0.000000 18.06109 
1 1 1    8   17   30 o  610.784   22.567  4783.31  344.203  4534.79  421.501  5280.78  596.344  590.032   28.607  625.564   38.360 -35.53192 47.85222 
1 1 1    8   17   31 f  119.871   9.9849  181.600   29.617  153.266   37.440  228.978   48.413  109.349   14.035  133.864   14.726 -24.51569 20.34312 
1 1 1    8   17   32 o  289.299   11.988  1053.27   86.604  1149.05  106.918  870.521  147.679  301.693   14.192  259.351   23.042 42.34244 27.06216 
1 1 1    8   17   33 o  391.196   15.448  1936.70  150.905  1975.80  185.468  1860.12  259.572  393.834   18.858  376.908   27.774 16.92581 33.57153 
1 1 1    8   17   34 o  172.539   13.620  378.045   58.207  315.587   87.388  427.852   78.038  154.959   23.305  182.724   17.309 -27.76517 29.02952 
1 1 1    8   17   35 o  172.544   10.956  375.999   46.962  364.853   59.863  393.835   75.726  169.279   14.295  175.090   17.556 -5.810928 22.63970 
1 1 1    8   17   36 o  102.021   11.776  132.883   29.451  149.640   40.844  114.734   42.506  107.505   15.675   93.133   18.922 14.37292 24.57133 
1 1 1    8   17   37 o  158.938   11.251  320.032   44.366  314.236   57.589  328.496   69.584  156.635   14.903  159.354   17.790 -2.719147 23.20720 
1 1 1    8   17   38 o  256.171   12.722  831.247   81.385  797.584  101.967  890.330  135.087  249.225   16.477  261.244   20.882 -12.01894 26.59940 
1 1 1    8   17   39 o   87.423   25.850  104.339   60.376  104.339   60.376   0.0000   0.0000   87.423   25.850  ?   ?  0.000000 25.85031 
1 1 1    8   17   40 o  141.695   12.247  257.079   42.908  244.077   58.022  272.771   63.744  136.317   17.445  143.941   18.136 -7.624237 25.16465 
1 1 1    8   17   41 o  165.333   12.062  350.145   49.455  355.131   65.791  343.668   74.989  164.879   16.188  160.836   19.040 4.042374 24.99166 
1 1 1    8   17   42 o   60.642   18.187   49.204   29.728   57.867   47.907   43.779   37.909   67.220   23.341   59.469   20.757 7.750992 31.23560 
1 1 1    8   17   43 o   76.624   18.181   80.600   34.265   27.711   53.714  116.892   44.495   58.477   23.677   91.913   19.958 -33.43601 30.96640 
1 1 1    8   17   44 o  141.138   19.925  272.431   68.271   0.0000   0.0000  272.431   68.271  ?   ?   141.138   19.925 0.000000 19.92484 
1 1 1    8   18    0 o  135.234   12.981  231.484   43.299  246.648   57.730  211.985   65.465  138.991   16.986  127.868   21.248 11.12326 27.20291 
1 1 1    8   18    1 o  293.590   16.212  1086.69  118.396  1205.89  165.975  963.185  168.939  308.188   21.705  274.502   24.917 33.68658 33.04467 
1 1 1    8   18    2 o  349.838   17.322  1539.07  151.326  1448.27  212.120  1633.17  215.945  337.078   25.386  358.360   24.274 -21.28262 35.12400 
1 1 1    8   18    3 o  273.384   22.036  949.316  149.159   0.0000   0.0000  949.316  149.159  ?   ?   273.384   22.036 0.000000 22.03587 
1 1 1    8   18    4 o  283.891   15.306  1014.27  108.109  962.000  150.910  1069.37  154.948  275.261   22.142  290.435   21.517 -15.17352 30.87477 
1 1 1    8   18    5 o  224.828   13.443  635.743   75.128  564.807  103.817  713.731  108.856  210.899   19.950  237.541   18.497 -26.64241 27.20525 
1 1 1    8   18    6 o  540.608   24.618  3693.71  332.340  3653.37  468.894  3734.43  471.114  533.134   35.421  539.139   35.185 -6.005310 49.92682 
1 1 1    8   18    7 o  155.161   12.493  303.457   47.995  299.674   65.365  307.883   70.698  153.505   17.357  155.417   18.585 -1.911804 25.42940 
1 1 1    8   18    8 o  217.529   19.123  599.508  102.821  599.508  102.821   0.0000   0.0000  217.529   19.123  ?   ?  0.000000 19.12270 
1 1 1    8   18    9 o  248.425   14.638  776.420   90.405  855.398  126.693  694.487  129.042  260.047   19.655  233.672   22.388 26.37527 29.79183 
1 1 1    8   18   10 o  171.267   12.535  369.306   53.239  356.466   73.085  383.823   77.710  167.535   17.739  173.846   18.169 -6.310928 25.39244 
1 1 1    8   18   11 o  656.346   29.302  5469.24  480.266  5465.58  678.329  5472.92  680.071  649.247   42.065  649.635   42.149 -0.3885498 59.54831 
1 1 1    8   18   12 o  448.317   21.250  2532.10  237.902  2717.92  335.818  2344.89  337.075  461.754   29.275  427.973   31.766 33.78104 43.19867 
1 1 1    8   18   13 o  146.538   18.223  274.015   65.245   0.0000   0.0000  274.015   65.245  ?   ?   146.538   18.223 0.000000 18.22334 
1 1 1    8   18   14 o  215.187   10.859  581.081   58.161  595.251   70.408  550.641  103.199  217.565   13.019  208.166   20.103 9.399582 23.95015 
1 1 1    8   18   15 o  476.297   17.862  2852.69  212.454  2792.84  259.664  2973.89  369.520  470.393   22.106  482.022   30.861 -11.62958 37.96102 
1 1 1    8   18   16 o  169.257   9.3258  359.510   39.265  297.859   46.693  508.381   72.557  153.696   12.268  200.761   14.572 -47.06541 19.04856 
1 1 1    8   18   17 o  352.977   14.524  1563.85  128.019  1718.49  156.480  1250.87  222.622  369.666   16.951  312.027   28.899 57.63885 33.50367 
1 1 1    8   18   18 o  510.779   33.959  3371.36  430.677  3371.36  430.677   0.0000   0.0000  510.779   33.959  ?   ?  0.000000 33.95861 
1 1 1    8   18   19 o  682.437   24.614  5916.68  419.462  5747.90  513.260  6256.11  727.875  669.441   30.703  688.990   42.513 -19.54938 52.44028 
1 1 1    8   18   20 o  614.715   22.362  4791.94  343.274  4652.91  420.037  5071.52  595.667  603.158   27.887  622.003   38.539 -18.84424 47.57078 
1 1 1    8   18   21 o  120.872   8.9146  183.902   26.718  196.159   32.128  156.422   48.107  124.680   10.414  109.906   18.163 14.77422 20.93661 
1 1 1    8   18   22 o  254.121   14.150  814.789   89.441  860.443  126.484  769.128  126.492  259.944   19.630  245.372   20.841 14.57120 28.63000 
1 1 1    8   18   33 o  323.684   24.102  1358.70  193.424  1358.70  193.424   0.0000   0.0000  323.684   24.102  ?   ?  0.000000 24.10246 
1 1 1    8   18   34 o  123.020   9.1304  190.939   27.849  230.772   36.459  135.148   43.149  135.038   10.905  101.712   17.627 33.32591 20.72730 
1 1 1    8   18   35 o   60.433   12.985   47.827   19.012   60.561   29.042   38.277   25.149   67.719   17.154   54.802   16.792 12.91739 24.00472 
1 1 1    8   18   36 o   85.887   12.571   95.016   26.163   62.476   36.559  129.172   37.456   69.021   20.033   99.754   15.543 -30.73265 25.35516 
1 1 1    8   18   37 o  144.420   14.157  266.913   50.398  178.758   79.668  325.730   65.075  114.021   28.149  158.993   16.636 -44.97143 32.69768 
1 1 1    8   18   38 o   77.317   14.155   78.258   26.322   69.171   39.928   85.242   35.005   72.166   20.932   79.958   17.969 -7.792076 27.58699 
1 1 1    8   18   39 o   82.576   13.978   89.139   27.795  105.735   42.344   76.574   36.843   88.620   19.649   75.418   19.440 13.20258 27.64051 
1 1 1    8   18   40 o   89.251   14.288  104.298   30.771   91.595   46.339  114.318   41.155   81.796   22.144   92.275   18.504 -10.47838 28.85720 
1 1 1    8   18   41 o  246.833   16.372  793.078  100.340  793.078  100.340   0.0000   0.0000  246.833   16.372  ?   ?  0.000000 16.37158 
1 1 1    8   18   42 o   88.761   28.956  112.361   73.748  112.361   73.748   0.0000   0.0000   88.761   28.956  ?   ?  0.000000 28.95584 
1 1 1    8   18   43 o  127.239   19.277  219.687   59.334   0.0000   0.0000  219.687   59.334  ?   ?   127.239   19.277 0.000000 19.27747 
1 1 1    8   19    0 o  317.462   16.327  1272.97  128.999  1188.56  179.832  1362.44  185.150  304.744   23.820  326.703   22.838 -21.95868 32.99977 
1 1 1    8   19    1 o  145.446   12.139  267.174   43.686  210.845   57.931  341.440   66.518  127.952   18.681  163.866   16.479 -35.91396 24.91058 
1 1 1    8   19    2 o  121.093   13.355  186.242   39.713  237.208   52.909  120.476   60.102  136.440   15.823   95.611   24.920 40.82915 29.51841 
1 1 1    8   19    3 o  589.411   26.765  4423.44  393.941  4423.62  555.834  4423.26  558.409  582.350   38.438  582.205   38.628 0.1448975 54.49376 
1 1 1    8   19    4 o  712.545   46.839  6726.65  828.789   0.0000   0.0000  6726.65  828.789  ?   ?   712.545   46.839 0.000000 46.83902 
1 1 1    8   19    5 o  337.004   17.079  1432.01  143.264  1382.67  200.718  1483.24  204.550  329.413   24.577  341.359   24.152 -11.94592 34.45788 
1 1 1    8   19    6 o  127.879   12.216  206.769   38.534  177.533   50.988  245.708   58.844  117.469   17.952  138.718   17.368 -21.24841 24.97792 
1 1 1    8   19    7 o  346.837   17.592  1516.74  151.867  1531.50  213.233  1501.56  216.345  346.883   24.779  343.288   25.418 3.595520 35.49746 
1 1 1    8   19    8 f  105.833   13.050  142.501   33.759  164.929   44.333  111.550   52.081  113.485   16.095   92.168   22.763 21.31625 27.87797 
1 1 1    8   19    9 o  505.734   33.593  3289.06  421.837  3289.06  421.837   0.0000   0.0000  505.734   33.593  ?   ?  0.000000 33.59304 
1 1 1    8   19   10 o  375.044   17.773  1768.90  166.458  1593.61  233.307  1950.64  237.565  353.456   26.628  391.877   24.397 -38.42047 36.11497 
1 1 1    8   19   11 f  565.753   25.827  4057.77  364.878  4233.19  515.267  3881.32  516.766  572.653   36.219  547.317   38.046 25.33569 52.52917 
1 1 1    8   19   12 o  202.786   13.056  517.602   65.764  499.022   90.695  538.202   95.499  198.279   18.532  205.938   18.776 -7.658875 26.38145 
1 1 1    8   19   13 o  167.445   12.325  353.233   51.174  337.188   69.741  371.950   75.324  162.836   17.421  171.031   17.902 -8.195160 24.97921 
1 1 1    8   19   14 o  232.126   20.203  684.521  115.943   0.0000   0.0000  684.521  115.943  ?   ?   232.126   20.203 0.000000 20.20325 
1 1 1    8   19   15 o  691.252   30.910  6112.33  533.568  6117.38  753.625  6107.24  755.536  681.615   44.520  680.923   44.681 0.6916504 63.07483 
1 1 1    8   19   16 o  356.944   13.913  1599.11  124.019  1530.17  151.109  1741.39  217.071  348.662   17.355  369.967   23.619 -21.30472 29.30983 
1 1 1    8   19   17 o  327.843   13.769  1349.23  112.728  1466.11  137.572  1110.39  196.662  341.406   16.137  293.995   27.092 47.41083 31.53365 
1 1 1    8   19   18 o  267.752   10.656  898.205   71.252  697.414   85.899  1341.06  127.569  235.120   14.704  326.521   15.645 -91.40092 21.47055 
1 1 1    8   19   19 o  354.313   17.530  1583.05  155.101  1583.05  155.101   0.0000   0.0000  354.313   17.530  ?   ?  0.000000 17.52977 
1 1 1    8   19   20 o  454.418   16.980  2604.27  192.682  2467.75  235.398  2881.43  335.414  441.065   21.372  472.921   28.535 -31.85635 35.65155 
1 1 1    8   19   21 o  259.451   11.096  844.391   71.893  788.645   87.484  960.352  126.174  250.002   14.070  274.972   18.483 -24.96953 23.22881 
1 1 1    8   19   22 o  284.749   14.887  1024.22  105.487  937.372  148.758  1112.06  149.607  270.437   22.224  295.277   20.415 -24.83954 30.17733 
1 1 1    8   19   37 o  202.920   10.701  520.256   54.034  483.800   96.783  536.765   65.129  192.673   20.427  205.622   12.747 -12.94899 24.07771 
1 1 1    8   19   38 o  143.821   10.226  262.047   36.488  279.408   47.906  238.061   56.311  147.864   13.110  135.291   17.046 12.57312 21.50427 
1 1 1    8   19   39 o  181.653   11.066  418.922   49.957  417.864   64.246  420.541   79.453  180.407   14.380  179.634   17.953 0.7732391 23.00179 
1 1 1    8   19   40 o   87.074   15.295  100.043   32.044   97.510   63.482  100.910   37.121   84.504   26.800   86.766   17.731 -2.262466 32.13471 
1 1 1    8   19   41 o   80.945   14.473   86.610   28.180   81.080   45.176   90.133   36.055   76.827   22.260   81.555   18.169 -4.727730 28.73343 
1 1 1    8   19   42 o  211.780   12.275  575.768   64.641  572.372   84.054  580.685  101.129  209.040   16.229  208.324   19.672 0.7158661 25.50261 
1 1 1    8   19   43 o   87.944   19.585  106.891   41.907   0.0000   0.0000  106.891   41.907  ?   ?    87.944   19.585 0.000000 19.58489 
1 1 1    8   20    0 o   69.652   18.018   63.688   31.575   63.688   31.575   0.0000   0.0000   69.652   18.018  ?   ?  0.000000 18.01756 
1 1 1    8   20    1 o  291.377   15.706  1073.22  113.856  1039.48  158.456  1109.24  163.707  284.928   22.452  294.393   22.437 -9.464233 31.74160 
1 1 1    8   20    2 o  184.284   13.158  428.812   60.154  430.828   81.833  426.444   88.725  183.821   18.060  182.496   19.786 1.325027 26.78918 
1 1 1    8   20    3 o  102.438   12.991  133.844   32.485  119.750   41.630  155.788   51.946   95.881   18.049  109.362   19.748 -13.48145 26.75362 
1 1 1    8   20    4 o  382.735   19.083  1850.42  182.388  1990.51  256.667  1707.51  259.223  394.129   26.228  363.956   28.756 30.17249 38.92057 
1 1 1    8   20    5 f  284.824   22.618  1034.90  159.547   0.0000   0.0000  1034.90  159.547  ?   ?   284.824   22.618 0.000000 22.61786 
1 1 1    8   20    6 o  252.931   14.645  806.447   92.107  810.551  128.047  802.047  132.590  252.434   20.490  250.898   21.366 1.536942 29.60273 
1 1 1    8   20    7 o  153.296   12.529  296.665   47.541  290.064   63.915  304.840   71.129  150.818   17.283  154.364   18.843 -3.545471 25.56874 
1 1 1    8   20    8 o  251.844   14.619  799.268   91.545  808.631  127.228  789.216  131.824  252.241   20.372  248.945   21.413 3.295410 29.55609 
1 1 1    8   20    9 o  532.664   24.179  3599.43  321.619  3455.00  453.177  3745.99  456.516  516.167   35.372  538.224   34.143 -22.05713 49.16165 
1 1 1    8   20   10 o  190.919   18.047  463.120   85.021  463.120   85.021   0.0000   0.0000  190.919   18.047  ?   ?  0.000000 18.04708 
1 1 1    8   20   11 o  426.609   20.692  2298.91  220.441  2510.93  310.714  2084.04  312.798  442.809   28.246  402.051   31.405 40.75821 42.23870 
1 1 1    8   20   12 o  466.978   22.123  2759.52  257.984  2927.58  363.769  2589.45  365.929  477.156   30.692  447.639   32.967 29.51672 45.04279 
1 1 1    8   20   13 o  357.558   17.543  1610.07  156.636  1545.69  219.765  1676.56  223.311  347.811   25.480  362.514   24.817 -14.70313 35.56861 
1 1 1    8   20   14 o  241.160   14.721  733.362   88.228  825.794  122.916  635.123  126.718  255.070   19.444  222.686   23.125 32.38403 30.21288 
1 1 1    8   20   15 f  388.245   27.426  1933.13  264.186   0.0000   0.0000  1933.13  264.186  ?   ?   388.245   27.426 0.000000 27.42558 
1 1 1    8   20   16 o  107.352   11.488  146.115   30.319  126.032   38.959  176.957   48.279   98.779   16.367  117.344   16.969 -18.56560 23.57575 
1 1 1    8   20   17 o  652.940   23.866  5422.04  389.146  5558.83  476.303  5147.41  674.878  658.287   28.975  621.706   43.749 36.58130 52.47370 
1 1 1    8   20   18 o  478.411   17.855  2889.18  213.313  2770.03  260.517  3131.57  371.582  467.009   22.339  492.184   30.381 -25.17477 37.70994 
1 1 1    8   20   19 o  420.215   28.927  2282.21  301.695  2282.21  301.695   0.0000   0.0000  420.215   28.927  ?   ?  0.000000 28.92671 
1 1 1    8   20   20 o  536.334   19.985  3647.85  267.658  3642.42  327.352  3658.80  464.907  533.842   24.556  527.435   35.504 6.406189 43.16869 
1 1 1    8   20   21 o  410.799   15.462  2128.12  158.614  2041.01  193.685  2305.50  276.379  401.186   19.333  422.891   26.302 -21.70428 32.64261 
1 1 1    8   20   22 o  477.881   22.279  2914.33  265.866   0.0000   0.0000  2914.33  265.866  ?   ?   477.881   22.279 0.000000 22.27884 
1 1 1    8   20   41 o   67.634   10.016   59.159   16.405   91.666   46.675   54.577   17.523   81.347   22.308   64.622   11.269 16.72529 24.99278 
1 1 1    8   20   42 o  115.967   12.891  174.531   36.698  181.624   66.493  171.423   44.007  113.396   24.218  113.815   15.919 -0.4195099 28.98143 
1 1 1    8   21    0 o  108.506   12.928  150.324   34.341  146.420   44.021  156.394   54.888  106.186   17.189  108.954   20.934 -2.768311 27.08703 
1 1 1    8   21    1 o  251.889   15.438  804.219   96.639  908.854  133.580  689.317  139.980  266.457   20.226  230.389   24.717 36.06746 31.93776 
1 1 1    8   21    2 o  147.876   13.506  277.505   49.323  332.445   65.514  205.617   74.940  161.382   16.488  124.523   24.969 36.85846 29.92155 
1 1 1    8   21    3 o  162.557   12.462  334.001   50.202  305.186   67.363  369.995   75.289  154.334   17.805  170.077   18.000 -15.74260 25.31895 
1 1 1    8   21    4 o  346.898   17.746  1525.10  153.217  1544.72  214.583  1504.69  218.841  346.652   24.956  341.762   25.833 4.890900 35.91822 
1 1 1    8   21    5 o  182.765   13.216  421.953   59.912  439.371   81.388  401.350   88.517  185.668   17.771  176.785   20.427 8.883179 27.07518 
1 1 1    8   21    6 o  473.488   32.446  2917.53  381.322   0.0000   0.0000  2917.53  381.322  ?   ?   473.488   32.446 0.000000 32.44590 
1 1 1    8   21    7 o  338.948   17.614  1453.72  148.574  1540.58  208.538  1364.19  211.730  346.943   24.222  325.676   26.257 21.26709 35.72334 
1 1 1    8   21    8 o  405.756   20.148  2083.93  204.151  2358.84  287.564  1804.58  289.877  428.599   27.006  372.792   31.432 55.80746 41.43991 
1 1 1    8   21    9 o  557.285   25.710  3962.86  357.787  4115.15  504.827  3809.16  507.155  560.976   36.231  538.453   37.961 22.52234 52.47526 
1 1 1    8   21   10 o  146.232   11.901  269.992   43.084  227.739   56.836  327.068   66.057  133.279   17.500  160.263   16.753 -26.98413 24.22659 
1 1 1    8   21   11 o  486.867   32.791  3076.08  396.351  3076.08  396.351   0.0000   0.0000  486.867   32.791  ?   ?  0.000000 32.79104 
1 1 1    8   21   12 o  403.395   18.025  2053.52  181.576  1716.57  254.062  2405.34  259.603  365.081   28.083  434.177   24.037 -69.09558 36.96556 
1 1 1    8   21   13 o  468.389   20.571  2777.90  240.614  2382.68  337.593  3185.94  343.031  428.634   31.766  498.101   27.687 -69.46713 42.13844 
1 1 1    8   21   14 o  509.586   23.160  3301.46  294.714  3124.91  414.964  3481.15  418.636  489.607   34.154  517.869   32.537 -28.26190 47.17154 
1 1 1    8   21   15 o  478.932   22.564  2914.96  269.857  3000.86  380.191  2827.73  383.097  480.852   31.842  465.989   33.138 14.86371 45.95696 
1 1 1    8   21   16 o   78.871   21.011   81.669   42.127   0.0000   0.0000   81.669   42.127  ?   ?    78.871   21.011 0.000000 21.01128 
1 1 1    8   21   17 o  640.902   29.222  5294.33  467.682  5452.58  660.393  5135.10  662.416  639.146   41.603  618.698   43.145 20.44794 59.93559 
1 1 1    8   21   18 o  259.743   11.752  847.002   76.225  833.330   92.278  876.368  135.239  256.886   14.444  261.894   20.852 -5.008423 25.36540 
1 1 1    8   21   19 o  216.955   10.704  590.516   57.991  617.787   69.979  530.731  103.611  221.334   12.714  203.369   20.690 17.96574 24.28440 
1 1 1    8   21   20 o  410.100   28.493  2184.04  289.987  2184.04  289.987   0.0000   0.0000  410.100   28.493  ?   ?  0.000000 28.49332 
1 1 1    8   21   21 o  280.747   10.799  989.438   75.707  1143.11  106.138  830.273  108.017  301.192   14.112  255.619   17.019 45.57295 22.10863 
1 1 1    8   21   22 o  255.321   9.7545  817.697   62.193  887.627   87.249  745.458   88.677  265.516   13.159  242.644   14.704 22.87175 19.73257 
1 1 1    8   21   23 o  221.519   18.884  627.973  103.463  627.973  103.463   0.0000   0.0000  221.519   18.884  ?   ?  0.000000 18.88377 
1 1 1    8   22    0 o  140.371   12.665  250.477   43.916  244.236   57.756  259.029   67.615  137.574   17.187  141.042   19.738 -3.468399 26.17213 
1 1 1    8   22    1 o  173.776   12.711  382.626   54.776  356.040   73.432  415.976   82.245  166.374   17.959  179.798   18.586 -13.42407 25.84530 
1 1 1    8   22    2 f   61.540   15.721   49.754   24.247   73.495   29.439  -0.3223   42.755   74.772   16.232   47.468   20.301 27.30395 25.99243 
1 1 1    8   22    3 o  238.127   20.041  727.576  118.064  727.576  118.064   0.0000   0.0000  238.127   20.041  ?   ?  0.000000 20.04076 
1 1 1    8   22    4 o  287.341   16.463  1047.91  117.634  1216.19  164.356  871.158  168.440  307.916   21.510  258.523   26.464 49.39282 34.10330 
1 1 1    8   22    5 o  155.826   12.755  307.472   49.198  317.627   66.058  294.822   73.726  157.546   17.063  151.011   20.046 6.535172 26.32489 
1 1 1    8   22    6 o  661.545   30.354  5688.46  501.440  5871.57  707.985  5504.14  710.308  657.717   43.349  634.647   45.113 23.07056 62.56433 
1 1 1    8   22    7 o  102.230   13.010  133.505   32.460  133.820   41.234  132.992   52.637  101.611   16.840  100.352   21.641 1.259483 27.42135 
1 1 1    8   22    8 o  128.812   19.593  215.004   61.037   0.0000   0.0000  215.004   61.037  ?   ?   128.812   19.593 0.000000 19.59275 
1 1 1    8   22    9 o  232.619   14.311  683.739   82.727  722.083  114.428  641.753  119.740  237.916   19.430  223.596   21.719 14.32033 29.14153 
1 1 1    8   22   10 o  140.156   12.335  248.627   42.733  247.252   56.548  250.457   65.249  139.002   16.620  139.346   19.267 -0.3434601 25.44489 
1 1 1    8   22   11 o  362.827   18.652  1670.47  168.422  1807.09  236.460  1529.79  239.947  374.889   25.408  343.625   28.212 31.26453 37.96700 
1 1 1    8   22   12 o  115.500   16.181  171.454   45.388  171.454   45.388   0.0000   0.0000  115.500   16.181  ?   ?  0.000000 16.18070 
1 1 1    8   22   13 o  200.370   12.119  506.030   60.352  411.498   81.571  620.365   89.709  179.416   18.470  221.140   16.361 -41.72339 24.67460 
1 1 1    8   22   14 o  272.440   13.277  933.356   90.331  719.339  124.085  1174.65  131.755  236.991   21.191  304.384   17.406 -67.39273 27.42287 
1 1 1    8   22   15 o  145.353   11.842  267.053   42.611  250.038   56.369  289.741   65.090  139.800   16.462  150.376   17.670 -10.57535 24.15043 
1 1 1    8   22   16 o  298.014   16.435  1124.91  121.838  1216.65  170.314  1028.74  174.367  308.173   22.281  282.303   24.992 25.86954 33.48259 
1 1 1    8   22   17 o  382.201   27.393  1892.54  259.713   0.0000   0.0000  1892.54  259.713  ?   ?   382.201   27.393 0.000000 27.39306 
1 1 1    8   22   18 o  141.958   12.806  255.505   44.909  297.771   60.166  202.333   67.483  152.735   16.013  124.054   22.617 28.68159 27.71174 
1 1 1    8   22   19 o   77.424   8.5725   76.017   16.296   72.792   17.881   91.832   39.594   75.575   9.6982   83.396   19.381 -7.821701 21.67207 
1 1 1    8   22   20 f  328.596   11.130  1356.37   91.332  1268.85  127.565  1448.42  130.822  316.351   16.202  338.610   15.471 -22.25903 22.40254 
1 1 1    8   22   21 o  439.166   30.584  2533.03  333.319   0.0000   0.0000  2533.03  333.319  ?   ?   439.166   30.584 0.000000 30.58438 
1 1 1    8   22   22 o  393.767   17.854  1968.41  175.563  1968.41  175.563   0.0000   0.0000  393.767   17.854  ?   ?  0.000000 17.85432 
1 1 1    8   22   23 o  107.202   7.4493  144.609   19.818  156.256   27.025  131.059   29.150  111.150   9.8380  101.417   11.726 9.733719 15.30660 
1 1 1    8   23    0 o   80.210   14.678   84.059   28.317   84.485   34.699   83.211   48.994   79.809   17.857   79.241   23.245 0.5680237 29.31261 
1 1 1    8   23    1 o  157.594   13.037  315.868   50.846  331.254   67.674  295.924   77.048  160.372   17.165  150.289   21.112 10.08269 27.20947 
1 1 1    8   23    2 o  192.977   13.705  473.069   65.615  516.526   89.394  422.310   96.612  200.470   18.050  179.840   21.969 20.63055 28.43373 
1 1 1    8   23    3 f  216.344   13.991  593.985   75.180  617.104  102.989  567.613  109.999  219.061   19.015  209.234   21.352 9.827637 28.59163 
1 1 1    8   23    4 o  208.944   18.856  560.915   97.324  560.915   97.324   0.0000   0.0000  208.944   18.856  ?   ?  0.000000 18.85580 
1 1 1    8   23    5 o  109.605   12.716  153.351   34.158  154.071   43.691  152.219   54.784  109.058   16.564  107.289   21.200 1.768715 26.90329 
1 1 1    8   23    6 o  300.964   16.558  1151.18  123.964  1231.11  173.014  1066.86  177.704  308.982   22.580  286.448   25.096 22.53445 33.75854 
1 1 1    8   23    7 o  168.787   12.651  360.656   52.935  350.888   71.038  372.852   79.375  165.447   17.458  170.207   18.999 -4.759979 25.80182 
1 1 1    8   23    8 o  163.882   12.697  340.058   51.556  345.917   69.333  332.811   77.108  164.374   17.143  160.576   19.639 3.798187 26.06860 
1 1 1    8   23    9 o  244.143   21.209  766.080  128.021   0.0000   0.0000  766.080  128.021  ?   ?   244.143   21.209 0.000000 21.20912 
1 1 1    8   23   10 o  171.224   13.799  371.758   58.501  471.391   79.721  255.501   86.115  192.297   16.769  138.795   25.796 53.50212 30.76721 
1 1 1    8   23   11 o  226.702   14.568  650.802   82.038  735.642  113.343  557.450  118.893  239.933   19.075  207.401   23.363 32.53186 30.16060 
1 1 1    8   23   12 o  125.876   12.668  201.310   39.278  221.610   51.340  172.660   60.993  131.502   15.961  114.436   22.144 17.06599 27.29699 
1 1 1    8   23   13 o  189.291   13.809  453.777   64.825  509.425   87.589  386.375   96.396  199.747   17.745  172.362   22.967 27.38461 29.02366 
1 1 1    8   23   14 o  267.073   15.248  903.345  101.270  936.519  140.453  867.425  146.151  270.276   20.974  259.444   22.789 10.83188 30.97217 
1 1 1    8   23   15 o  407.615   20.072  2115.11  204.308  2207.15  287.071  2020.65  290.835  411.783   28.085  392.880   29.868 18.90356 40.99784 
1 1 1    8   23   16 o  149.484   12.890  283.324   47.645  322.432   63.757  233.863   71.701  158.858   16.303  133.568   22.282 25.29013 27.60914 
1 1 1    8   23   17 o  264.016   15.887  884.463  104.253  1024.42  145.260  735.797  149.713  282.681   20.722  237.608   25.638 45.07310 32.96542 
1 1 1    8   23   18 o   69.636   21.340   62.203   40.619   0.0000   0.0000   62.203   40.619  ?   ?    69.636   21.340 0.000000 21.34047 
1 1 1    8   23   19 o  154.961   10.525  302.949   40.486  317.499   63.792  293.136   52.389  157.517   16.461  151.817   13.976 5.700180 21.59361 
1 1 1    8   23   20 f  292.914   15.773  1088.75  114.950   0.0000   0.0000  1088.75  114.950  ?   ?   292.914   15.773 0.000000 15.77332 
1 1 1    8   23   21 o  183.734   8.6564  423.257   39.717  454.200   53.879  386.430   58.778  189.705   11.427  174.519   13.594 15.18562 17.75883 
1 1 1    8   23   22 o   95.993   11.021  117.331   25.940  110.318   33.944  127.174   40.217   92.216   15.275   98.807   16.907 -6.590767 22.78574 
1 1 1    8   23   23 o   72.478   7.7661   66.562   13.837   72.981   17.919   57.079   21.779   75.639   9.7108   66.073   13.651 9.566208 16.75268 
1 1 1    8   23   24 o   72.432   11.923   67.743   20.815   75.100   27.163   57.277   32.399   75.796   14.882   66.181   18.750 9.615150 23.93806 
1 1 1    8   24    0 o  383.670   19.983  1903.85  190.798  2139.91  267.921  1660.95  271.780  401.303   26.891  349.481   31.480 51.82166 41.40135 
1 1 1    8   24    1 o  107.750   21.840  155.419   56.753   0.0000   0.0000  155.419   56.753  ?   ?   107.750   21.840 0.000000 21.83989 
1 1 1    8   24    2 o  359.999   18.803  1666.36  168.449  1785.28  235.987  1542.83  240.523  368.016   25.842  339.997   28.595 28.01920 38.54187 
1 1 1    8   24    3 o   96.803   13.111  120.558   30.879  114.045   38.449  132.390   51.825   93.178   17.156   99.501   21.486 -6.322845 27.49551 
1 1 1    8   24    4 o  236.322   14.948  711.007   87.759  798.518  121.133  614.333  127.317  248.803   19.657  216.306   23.974 32.49696 31.00189 
1 1 1    8   24    5 o   64.544   16.996   54.939   27.772   54.939   27.772   0.0000   0.0000   64.544   16.996  ?   ?  0.000000 16.99597 
1 1 1    8   24    6 o  432.621   21.337  2406.21  230.508  2560.07  324.053  2248.61  327.956  439.521   29.699  409.639   32.323 29.88193 43.89510 
1 1 1    8   24    7 o  160.781   12.854  328.134   51.176  341.170   68.440  311.601   77.074  162.975   17.070  154.722   20.449 8.252411 26.63741 
1 1 1    8   24    8 o  250.178   15.213  795.279   94.591  887.339  131.215  695.677  136.485  262.640   20.160  230.912   24.021 31.72786 31.36006 
1 1 1    8   24    9 o   57.041   14.622   42.694   20.924   44.462   24.730   38.240   39.254   58.382   16.326   58.854   21.068 -0.4717140 26.65312 
1 1 1    8   24   10 o  119.289   20.608  186.838   59.169   0.0000   0.0000  186.838   59.169  ?   ?   119.289   20.608 0.000000 20.60817 
1 1 1    8   24   11 o   41.587   13.814   20.704   16.756   19.246   18.899   26.061   36.224   41.610   14.648   52.839   20.004 -11.22909 24.79309 
1 1 1    8   24   12 o  186.708   13.425  441.871   62.177  480.937   84.501  395.749   91.817  193.808   17.653  174.560   21.519 19.24811 27.83362 
1 1 1    8   24   13 o   99.716   13.196  127.479   32.052  151.022   40.593   88.496   52.234  108.209   15.462   82.030   23.984 26.17898 28.53640 
1 1 1    8   24   14 o  191.801   14.672  467.475   69.740  606.651   95.468  308.218  102.123  217.839   17.703  151.701   27.989 66.13840 33.11763 
1 1 1    8   24   15 o  122.842   15.957  194.161   47.793  194.161   47.793   0.0000   0.0000  122.842   15.957  ?   ?  0.000000 15.95683 
1 1 1    8   24   16 o   73.698   13.277   70.534   23.536   74.166   28.089   61.975   43.122   75.226   15.469   69.858   22.081 5.368034 26.96034 
1 1 1    8   24   17 o  180.907   9.1030  411.590   40.992  267.529   62.213  522.122   54.494  144.081   17.661  203.540   10.760 -59.45921 20.68036 
1 1 1    8   24   18 o  232.344   10.458  678.307   60.679  552.184   98.814  754.656   76.882  207.230   19.317  244.401   12.640 -37.17065 23.08557 
1 1 1    8   24   19 o  237.714   20.922  728.755  122.931   0.0000   0.0000  728.755  122.931  ?   ?   237.714   20.922 0.000000 20.92200 
1 1 1    8   24   20 o  109.234   9.5395  150.909   25.761  118.719   36.366  183.330   36.496   95.601   15.784  120.015   12.354 -24.41341 20.04373 
1 1 1    8   24   21 o   84.918   8.1653   91.220   17.101   81.590   20.764  111.532   30.154   79.871   10.678   93.102   13.352 -13.23018 17.09645 
1 1 1    8   24   22 o  218.654   8.4564  599.520   46.174  530.033   63.441  677.790   67.331  204.708   12.470  231.753   11.672 -27.04507 17.07994 
1 1 1    8   24   23 o   97.064   7.5202  118.742   18.086  105.600   23.672  137.171   28.032   91.050   10.610  103.868   10.973 -12.81868 15.26404 
1 1 1    8   24   24 o  156.012   8.0101  305.893   31.101  333.992   43.008  275.090   45.030  162.647   10.648  147.239   12.361 15.40813 16.31485 
1 1 1    8   25    0 o  212.575   13.266  575.497   70.068  495.528   92.991  680.531  106.573  195.013   19.351  229.057   18.797 -34.04355 26.97770 
1 1 1    8   25    1 o   87.912   14.385  100.685   30.487   97.023   35.960  110.043   57.486   85.542   17.426   89.972   24.792 -4.429504 30.30364 
1 1 1    8   25    2 o   57.559   22.792   25.786   48.652   0.0000   0.0000   25.786   48.652  ?   ?    57.559   22.792 0.000000 22.79248 
1 1 1    8   25    3 o   49.991   15.145   32.035   20.538   31.979   23.365   32.228   43.072   50.627   16.281   57.594   21.810 -6.966980 27.21678 
1 1 1    8   25    4 o  129.577   13.073  214.574   41.723  241.950   54.617  176.209   64.655  136.850   16.303  114.424   23.416 22.42569 28.53270 
1 1 1    8   25    5 o  127.164   12.807  206.455   40.117  212.256   51.735  197.707   63.532  128.032   16.570  122.004   21.646 6.027618 27.25997 
1 1 1    8   25    6 o  169.413   14.049  366.044   58.898  459.980   79.365  250.891   87.872  189.189   16.980  136.063   26.816 53.12602 31.73934 
1 1 1    8   25    7 o  128.818   12.822  211.664   40.699  213.409   51.776  208.842   65.839  128.475   16.521  125.552   21.790 2.923096 27.34460 
1 1 1    8   25    8 o   73.347   14.053   70.311   24.802   73.685   29.826   62.749   44.652   74.703   16.435   70.218   22.499 4.485245 27.86206 
1 1 1    8   25    9 o  260.440   15.299  863.373   99.065  913.978  137.146  808.161  143.252  265.873   20.823  248.824   23.327 17.04935 31.26885 
1 1 1    8   25   10 o  144.612   12.643  265.868   45.196  276.217   59.547  251.804   69.418  146.507   16.567  138.645   20.683 7.862305 26.50000 
1 1 1    8   25   11 o  277.810   22.756  1002.51  156.486   0.0000   0.0000  1002.51  156.486  ?   ?   277.810   22.756 0.000000 22.75636 
1 1 1    8   25   12 o  197.892   14.326  497.974   70.316  597.448   96.130  383.504  103.122  215.778   18.005  170.247   25.001 45.53131 30.80934 
1 1 1    8   25   13 o  220.497   13.496  616.385   73.956  589.864  100.868  647.216  108.757  214.074   19.068  224.117   19.630 -10.04369 27.36695 
1 1 1    8   25   14 o  105.062   12.338  141.009   31.753  134.419   39.888  152.410   52.464  101.701   16.253  107.431   20.300 -5.729927 26.00487 
1 1 1    8   25   15 o  230.006   11.891  668.211   68.064  693.559  110.887  652.888   86.218  232.205   19.298  226.485   15.335 5.720306 24.64872 
1 1 1    8   25   16 o  103.650   12.026  137.138   30.549  105.257   34.757  245.411   64.054   89.781   16.094  137.366   19.198 -47.58422 25.05122 
1 1 1    8   25   17 o  235.316   12.118  699.636   70.969  778.878  117.185  653.738   89.184  246.196   19.213  226.486   15.869 19.71049 24.91899 
1 1 1    8   25   18 o  150.282   10.225  285.150   38.145  255.120   57.161  309.260   51.217  140.800   16.575  155.963   13.277 -15.16278 21.23656 
1 1 1    8   25   19 o  ?   ?  -18.9657   3.0036 -19.7816   3.0241   40.607   25.839  ?   ?    56.263   16.974 0.000000 16.97437 
1 1 1    8   25   21 o  188.550   9.3026  446.351   43.801  335.837   70.240  516.671   56.029  161.482   17.709  202.320   11.133 -40.83832 20.91766 
1 1 1    8   25   22 o  256.492   9.4783  826.170   60.709  734.321   84.102  926.105   87.725  240.591   14.059  270.884   12.969 -30.29268 19.12721 
1 1 1    8   25   23 o  136.138   9.8323  234.039   33.201  249.506   53.964  224.619   42.116  139.400   15.780  132.818   12.859 6.581039 20.35602 
1 1 1    8   25   24 o   86.587   7.8495   94.747   16.788   79.609   22.022  115.750   25.940   78.697   11.550   95.273   11.112 -16.57648 16.02701 
1 1 1    8   25   25 o  185.629   8.6409  432.326   40.055  457.618   55.608  405.054   57.745  190.238   11.763  178.673   13.032 11.56538 17.55585 
1 1 1    8   26    0 o   49.137   15.763   30.292   21.913   27.263   24.365   43.114   50.128   48.192   16.651   63.525   23.638 -15.33266 28.91385 
1 1 1    8   26    1 o   96.906   14.085  121.862   33.088  121.308   39.723  123.119   59.797   95.841   17.231   94.735   24.936 1.106232 30.31028 
1 1 1    8   26    2 f  155.946   12.668  310.196   48.908  281.147   63.179  353.635   77.259  146.975   17.562  164.461   19.172 -17.48593 25.99931 
1 1 1    8   26    3 o  239.101   21.969  750.767  129.704   0.0000   0.0000  750.767  129.704  ?   ?   239.101   21.969 0.000000 21.96873 
1 1 1    8   26    4 o  171.870   13.015  376.419   55.447  355.371   72.356  406.362   86.301  165.524   17.784  176.307   19.953 -10.78294 26.72817 
1 1 1    8   26    5 o   66.192   15.662   58.043   25.485   67.294   29.228   28.705   52.049   71.178   16.727   59.778   23.605 11.40014 28.93109 
1 1 1    8   26    6 o  106.205   13.691  145.285   35.464  184.617   45.465   84.170   56.674  119.435   15.618   80.126   25.313 39.30914 29.74314 
1 1 1    8   26    7 o  361.961   19.205  1689.20  172.971  1881.56  242.344  1489.45  246.957  377.307   25.877  332.305   30.086 45.00232 39.68405 
1 1 1    8   26    8 o  155.795   17.059  313.456   65.283  313.456   65.283   0.0000   0.0000  155.795   17.059  ?   ?  0.000000 17.05894 
1 1 1    8   26    9 o  115.655   13.270  171.405   37.632  201.117   48.328  125.636   59.981  124.764   15.871   96.257   24.800 28.50711 29.44360 
1 1 1    8   26   10 o   75.090   14.772   73.952   26.713   97.609   32.369   23.441   47.298   86.371   15.581   56.419   22.431 29.95233 27.31169 
1 1 1    8   26   11 o   72.564   15.657   69.425   27.539  116.524   33.891 -22.1073   47.246   94.762   14.806   44.548   20.086 50.21360 24.95312 
1 1 1    8   26   12 o  177.810   19.857  410.651   86.663   0.0000   0.0000  410.651   86.663  ?   ?   177.810   19.857 0.000000 19.85674 
1 1 1    8   26   13 o   89.098   12.070  101.922   26.164  102.271   34.384  101.442   40.327   88.362   16.179   87.398   19.018 0.9642868 24.96850 
1 1 1    8   26   14 o   58.650   13.249   45.180   18.946   39.762   22.668   57.736   34.509   55.241   15.695   66.476   19.511 -11.23510 25.04032 
1 1 1    8   26   15 o  153.424   12.450  298.992   47.288  435.384   73.828  204.108   61.578  184.373   16.199  124.535   20.515 59.83781 26.14008 
1 1 1    8   26   16 o  144.090   11.707  263.383   41.760  329.419   63.884  214.114   55.181  160.201   16.191  128.441   17.672 31.76030 23.96805 
1 1 1    8   26   17 o  186.062   12.474  438.804   57.622  379.104   74.005  530.721   91.828  171.601   17.516  203.059   18.306 -31.45799 25.33595 
1 1 1    8   26   18 o  258.238   15.452  849.227   99.186   0.0000   0.0000  849.227   99.186  ?   ?   258.238   15.452 0.000000 15.45183 
1 1 1    8   26   19 o  115.962   15.757  173.718   44.448  173.718   44.448   0.0000   0.0000  115.962   15.757  ?   ?  0.000000 15.75744 
1 1 1    8   26   20 o   88.972   10.927  101.105   23.767   99.612   32.767  102.763   34.524   87.341   15.595   88.608   16.200 -1.267769 22.48649 
1 1 1    8   26   21 o  139.578   20.099  254.619   68.035   0.0000   0.0000  254.619   68.035  ?   ?   139.578   20.099 0.000000 20.09901 
1 1 1    8   26   22 o  130.042   9.0258  213.331   29.129  154.578   44.491  257.409   38.537  109.002   16.892  142.596   10.905 -33.59418 20.10584 
1 1 1    8   26   23 o  253.910   10.086  810.566   63.949  843.704   89.183  775.492   91.749  257.891   13.900  246.908   14.951 10.98302 20.41383 
1 1 1    8   26   24 f   27.592   10.954   5.0393   11.264 -10.5180   16.053   20.130   15.810   25.184   11.493   40.781   13.412 -15.59751 17.66281 
1 1 1    8   26   25 o  158.217   9.0149  315.285   35.470  405.673   48.937  215.244   51.484  179.187   10.990  129.164   16.326 50.02293 19.68048 
1 1 1    8   26   26 o   93.267   11.480  111.192   26.172  102.780   33.088  125.253   42.777   88.777   15.488   97.575   18.226 -8.798210 23.91800 
1 1 1    8   27    0 f   57.322   17.448   42.749   27.214   42.749   27.214   0.0000   0.0000   57.322   17.448  ?   ?  0.000000 17.44835 
1 1 1    8   27    1 o  328.134   17.315  1390.75  141.382  1356.17  195.432  1428.72  204.784  318.560   24.762  326.533   25.312 -7.972626 35.40948 
1 1 1    8   27    2 o  369.882   17.631  1763.14  162.847  1531.90  225.424  2015.53  235.507  336.945   27.018  389.402   24.341 -52.45682 36.36587 
1 1 1    8   27    3 o  101.878   12.770  133.661   31.773   91.910   37.540  239.110   59.660   82.827   18.605  135.087   18.144 -52.26048 25.98746 
1 1 1    8   27    4 o  326.819   15.858  1366.34  129.420  1148.99  178.049  1609.83  188.449  294.048   24.470  350.582   21.631 -56.53406 32.66011 
1 1 1    8   27    5 o   99.090   23.568  133.827   57.467   0.0000   0.0000  133.827   57.467  ?   ?    99.090   23.568 0.000000 23.56785 
1 1 1    8   27    6 o   32.668   12.944   7.4027   15.702   2.3768   16.832   41.100   43.584   31.033   12.977   60.930   22.147 -29.89687 25.66954 
1 1 1    8   27    7 o  135.104   13.827  234.092   45.991  267.819   58.008  177.011   75.465  143.859   16.443  113.309   27.046 30.54956 31.65158 
1 1 1    8   27    8 o  177.373   13.916  401.785   61.145  483.043   82.943  305.060   90.494  193.446   17.355  150.596   24.936 42.85022 30.38054 
1 1 1    8   27    9 o  275.330   21.886  990.552  149.236  990.552  149.236   0.0000   0.0000  275.330   21.886  ?   ?  0.000000 21.88612 
1 1 1    8   27   10 o  248.862   12.201  782.882   75.823  810.290  121.550  765.423   97.011  250.068   19.622  244.516   15.976 5.551712 25.30320 
1 1 1    8   27   11 o  191.324   11.344  463.418   53.955  467.833   82.948  460.180   71.037  190.410   17.645  189.645   15.126 0.7648773 23.24111 
1 1 1    8   27   12 o  362.423   15.454  1671.44  139.868  1967.65  236.542  1512.20  173.438  387.023   24.603  341.798   20.413 45.22449 31.96860 
1 1 1    8   27   13 o  192.340   11.243  468.059   53.767  464.398   82.904  470.717   70.637  189.765   17.699  191.958   14.852 -2.192642 23.10461 
1 1 1    8   27   14 o  103.886   18.093  141.865   45.232   0.0000   0.0000  141.865   45.232  ?   ?   103.886   18.093 0.000000 18.09297 
1 1 1    8   27   15 o  209.753   13.051  558.567   68.022  759.782  110.875  437.123   86.137  242.899   18.416  183.665   19.058 59.23398 26.50232 
1 1 1    8   27   16 o  151.026   11.717  289.426   43.845  361.992   67.133  235.450   57.899  167.872   16.216  134.680   17.639 33.19221 23.96064 
1 1 1    8   27   17 o  108.906   16.291  154.146   42.943   0.0000   0.0000  154.146   42.943  ?   ?   108.906   16.291 0.000000 16.29050 
1 1 1    8   27   18 o  122.150   13.428  190.970   40.282  210.975   49.574  152.092   69.110  127.875   15.865  105.682   26.294 22.19245 30.70962 
1 1 1    8   27   19 o   64.754   12.598   54.735   19.638   51.023   24.258   61.794   33.455   62.171   15.639   68.397   18.939 -6.225914 24.56164 
1 1 1    8   27   20 o  147.658   9.9057  275.398   36.314  236.302   55.144  305.335   48.254  135.238   16.682  154.989   12.576 -19.75113 20.89142 
1 1 1    8   27   21 o  124.636   10.738  197.001   33.096  221.572   50.510  178.516   43.811  131.146   15.737  117.642   15.273 13.50423 21.93048 
1 1 1    8   27   22 o   51.485   20.735   16.752   40.956   0.0000   0.0000   16.752   40.956  ?   ?    51.485   20.735 0.000000 20.73489 
1 1 1    8   27   23 o   73.507   11.811   69.805   20.945  112.587   30.958   33.690   28.444   93.383   13.681   53.123   18.000 40.26022 22.60947 
1 1 1    8   27   24 o   66.918   8.8852   57.199   14.481   45.626   18.180   77.285   23.950   59.001   12.714   77.217   12.874 -18.21636 18.09379 
1 1 1    8   27   25 o   86.044   11.974   95.128   25.031  127.549   35.133   61.709   35.671   99.304   14.604   68.538   19.757 30.76569 24.56883 
1 1 1    8   27   26 o  141.629   8.7179  252.763   30.683  283.142   41.427  215.849   45.666  149.510   11.177  129.770   14.331 19.73991 18.17419 
1 1 1    8   28    0 o  176.322   13.982  399.689   61.058  396.034   79.426  404.970   95.468  173.617   18.610  173.640   22.549 -0.2220154E-01 29.23686 
1 1 1    8   28    2 o  288.051   24.623  1113.11  175.416   0.0000   0.0000  1113.11  175.416  ?   ?   288.051   24.623 0.000000 24.62303 
1 1 1    8   28    3 o  126.356   13.460  205.438   41.816  193.788   52.134  226.453   70.022  121.379   17.722  129.586   22.452 -8.207764 28.60342 
1 1 1    8   28    4 o  318.790   16.834  1310.27  133.534  1258.12  184.405  1367.76  193.625  307.246   24.231  320.282   24.392 -13.03607 34.38230 
1 1 1    8   28    5 o   95.819   14.716  119.706   34.086  152.802   41.577   51.870   59.525  108.179   15.862   69.038   25.745 39.14088 30.23916 
1 1 1    8   28    6 o  128.997   22.748  223.973   70.600   0.0000   0.0000  223.973   70.600  ?   ?   128.997   22.748 0.000000 22.74789 
1 1 1    8   28    7 o  140.101   11.540  249.880   40.014  233.395   55.308  267.985   57.963  133.890   16.920  143.754   16.442 -9.864166 23.59299 
1 1 1    8   28    8 o  107.448   12.180  147.974   32.103  140.030   41.768  159.441   50.183  103.310   16.765  109.713   19.005 -6.402596 25.34262 
1 1 1    8   28    9 o  242.053   11.606  740.727   70.152  632.710  108.005  819.551   92.264  220.309   19.845  253.281   14.650 -32.97166 24.66659 
1 1 1    8   28   10 o  129.741   13.813  216.099   44.063  201.259   50.143  266.404   92.323  124.410   16.551  139.310   27.515 -14.90002 32.10894 
1 1 1    8   28   11 o   72.767   13.478   69.232   23.589   69.934   28.989   67.856   40.584   72.594   16.381   71.635   21.197 0.9596176 26.78886 
1 1 1    8   28   12 o  354.031   15.247  1596.77  134.792  1853.22  227.043  1457.17  167.507  374.970   24.380  335.212   20.104 39.75815 31.59931 
1 1 1    8   28   13 o  122.423   11.935  191.143   36.022  226.666   51.107  156.074   50.779  132.459   15.760  108.561   19.445 23.89831 25.02981 
1 1 1    8   28   14 o   81.414   13.988   86.385   27.414  123.241   35.870   34.629   42.507   97.297   15.266   58.249   21.749 39.04797 26.57175 
1 1 1    8   28   15 o   66.484   22.681   53.898   45.163   0.0000   0.0000   53.898   45.163  ?   ?    66.484   22.681 0.000000 22.68095 
1 1 1    8   28   16 o  112.306   16.830  164.419   45.747   0.0000   0.0000  164.419   45.747  ?   ?   112.306   16.830 0.000000 16.83044 
1 1 1    8   28   17 o  197.078   13.514  494.308   66.105  762.405  107.811  332.793   83.680  243.382   17.864  158.990   21.639 84.39189 28.05965 
1 1 1    8   28   18 o  140.699   11.615  251.481   40.444  293.085   60.180  217.214   54.616  150.814   16.235  129.282   17.356 21.53250 23.76545 
1 1 1    8   28   19 o  270.944   15.158  935.989  102.144  917.646  140.328  956.659  148.966  265.597   21.338  270.760   22.228 -5.162811 30.81221 
1 1 1    8   28   20 o  181.692   10.575  417.160   47.772  389.453   75.518  435.646   61.683  173.676   17.658  185.020   13.442 -11.34470 22.19230 
1 1 1    8   28   21 o   93.870   11.571  112.786   26.550  133.501   37.858   92.740   37.243  101.380   15.442   83.548   18.352 17.83268 23.98459 
1 1 1    8   28   22 o  197.921   11.686  495.916   57.500  590.181   95.303  441.962   72.101  214.059   17.996  185.764   15.690 28.29529 23.87488 
1 1 1    8   28   23 o  145.117   20.961  276.753   73.756   0.0000   0.0000  276.753   73.756  ?   ?   145.117   20.961 0.000000 20.96056 
1 1 1    8   28   24 o  198.204   11.225  496.774   55.331  667.401   93.003  403.293   68.839  228.299   16.423  177.400   15.701 50.89828 22.72122 
1 1 1    8   28   25 o   77.399   9.3990   76.390   17.794  101.315   22.694   36.610   28.669   89.123   10.392   54.640   18.065 34.48205 20.84075 
1 1 1    8   28   26 o  188.513   12.969  451.496   60.681  502.312   85.037  398.774   86.618  197.569   17.414  174.936   20.199 22.63290 26.66957 
1 1 1    8   28   27 o  182.110   9.1867  417.837   41.643  434.757   56.647  397.943   61.426  185.115   12.325  176.645   14.041 8.470306 18.68282 
1 1 1    8   29    0 o  289.112   15.530  1080.72  111.707  1265.94  175.691  955.044  144.728  306.766   23.104  267.266   21.877 39.50015 31.81815 
1 1 1    8   29    1 o  586.039   21.269  4541.42  311.263  3996.61  526.535  4834.09  385.914  510.210   41.691  596.647   25.901 -86.43671 49.08149 
1 1 1    8   29    2 o  302.459   13.777  1169.36  104.060  1085.88  162.752  1227.08  135.338  284.814   23.082  307.062   17.725 -22.24768 29.10233 
1 1 1    8   29    3 o  145.710   12.373  271.807   44.597  241.646   58.089  315.106   69.600  135.621   17.565  154.801   18.363 -19.17966 25.41067 
1 1 1    8   29    4 o  217.483   12.479  603.123   67.489  578.543  100.376  623.403   91.173  209.955   19.363  219.308   16.775 -9.353577 25.61902 
1 1 1    8   29    5 o  253.663   12.951  820.576   81.766  800.713  126.291  834.912  107.288  246.618   20.698  253.969   17.015 -7.350906 26.79436 
1 1 1    8   29    6 o  161.517   11.884  332.452   47.596  317.311   66.843  348.024   67.790  155.968   17.462  163.661   16.827 -7.692978 24.24973 
1 1 1    8   29    7 o  106.218   24.193  154.902   62.735   0.0000   0.0000  154.902   62.735  ?   ?   106.218   24.193 0.000000 24.19257 
1 1 1    8   29    8 o  221.017   11.685  620.180   64.265  538.665   97.304  683.247   85.588  202.960   19.436  230.832   14.928 -27.87196 24.50727 
1 1 1    8   29    9 o  244.236   11.725  755.126   71.508  654.610  110.587  827.357   93.744  223.718   20.006  254.208   14.832 -30.48932 24.90414 
1 1 1    8   29   10 o  246.178   13.008  771.334   79.680  818.212  126.027  740.117  102.843  250.211   20.346  239.384   17.321 10.82739 26.72061 
1 1 1    8   29   11 o  273.330   14.257  953.516   96.976  1234.10  159.293  788.284  122.239  307.374   20.877  245.803   20.090 61.57103 28.97330 
1 1 1    8   29   12 o  144.729   14.122  268.833   50.388  266.535   58.903  275.101   97.288  143.317   16.776  140.977   28.613 2.340500 33.16806 
1 1 1    8   29   13 o  135.995   11.753  235.546   39.521  260.539   56.380  211.401   55.415  141.886   16.203  127.098   17.960 14.78818 24.18891 
1 1 1    8   29   14 o  170.135   13.178  369.207   55.551  575.438   87.097  227.780   72.126  211.433   16.630  130.300   23.008 81.13297 28.38882 
1 1 1    8   29   15 o   76.535   13.415   76.385   24.703   84.054   31.024   63.097   40.837   79.768   16.129   69.507   21.414 10.26065 26.80852 
1 1 1    8   29   16 o  127.371   22.275  216.720   68.271   0.0000   0.0000  216.720   68.271  ?   ?   127.371   22.275 0.000000 22.27535 
1 1 1    8   29   17 o  160.923   15.401  332.785   61.134  472.456   80.557  143.111   93.875  191.435   17.029  102.348   32.604 89.08712 36.78330 
1 1 1    8   29   18 o  163.652   11.493  339.776   46.671  384.901   71.898  306.915   61.354  172.720   16.885  154.283   16.165 18.43695 23.37559 
1 1 1    8   29   19 o  302.783   14.549  1165.16  110.006  1484.54  186.102  993.633  136.383  337.205   22.225  276.883   19.857 60.32208 29.80354 
1 1 1    8   29   20 o  318.175   15.862  1290.63  126.034  1159.89  174.588  1432.92  182.129  297.052   23.734  331.390   22.136 -34.33862 32.45455 
1 1 1    8   29   21 o   65.361   13.882   56.185   21.959   82.769   29.111   21.091   33.448   79.389   15.238   49.387   19.090 30.00239 24.42618 
1 1 1    8   29   22 o  113.118   11.333  163.020   31.582  203.674   47.933  131.830   41.984  125.554   15.626  100.166   17.417 25.38817 23.39951 
1 1 1    8   29   23 o  248.400   12.948  783.064   80.041  1075.75  136.065  628.192   98.977  288.710   18.978  220.659   18.122 68.05040 26.24123 
1 1 1    8   29   24 o   76.350   24.667   75.153   53.590   0.0000   0.0000   75.153   53.590  ?   ?    76.350   24.667 0.000000 24.66712 
1 1 1    8   29   25 o   89.860   11.352  103.455   24.905  118.335   38.575   92.819   32.613   94.914   16.895   83.987   16.137 10.92666 23.36264 
1 1 1    8   29   26 o  312.906   12.062  1237.26   94.253  1545.76  132.301  919.326  134.309  348.526   15.201  266.107   20.366 82.41949 25.41363 
1 1 1    8   29   27 o  193.339   11.056  472.992   53.156  526.530   64.045  354.458   95.297  203.613   12.659  163.064   24.132 40.54881 27.25021 
1 1 1    8   29   28 o   88.663   8.8707   99.779   19.377   99.887   23.644   99.559   33.814   88.337   10.953   87.021   16.155 1.315643 19.51830 
1 1 1    8   30    0 f  342.075   28.509  1654.90  241.309   0.0000   0.0000  1654.90  241.309  ?   ?   342.075   28.509 0.000000 28.50860 
1 1 1    8   30    1 o  211.188   13.343  573.676   70.006  580.954   99.860  566.642   98.170  209.236   19.330  206.680   19.242 2.556183 27.27478 
1 1 1    8   30    2 o  205.090   13.083  539.878   66.653  538.904   95.357  540.810   93.203  201.829   19.149  202.481   18.642 -0.6522522 26.72508 
1 1 1    8   30    3 o  169.486   12.158  367.582   51.115  322.462   69.354  421.233   75.626  156.384   18.094  179.457   17.082 -23.07372 24.88310 
1 1 1    8   30    4 o  222.179   16.639  641.658   91.645  674.782  110.969  570.603  162.528  226.016   19.863  197.669   34.162 28.34743 39.51659 
1 1 1    8   30    5 o   76.237   15.133   77.076   27.793   75.879   32.633   80.236   53.035   75.069   17.697   77.304   24.494 -2.234581 30.21758 
1 1 1    8   30    6 o  108.447   13.254  152.027   35.146  154.339   44.224  148.062   57.903  108.166   16.928  103.840   22.941 4.326538 28.51051 
1 1 1    8   30    7 o  189.763   13.158  460.773   61.968  539.375   92.148  395.878   83.728  203.146   18.363  173.212   19.708 29.93480 26.93725 
1 1 1    8   30    8 o  475.765   23.022  2996.20  273.516  2917.19  383.024  3078.42  390.710  453.628   34.061  466.510   33.767 -12.88229 47.96195 
1 1 1    8   30    9 o  269.373   13.095  923.146   88.086  900.083  139.707  938.364  113.485  261.083   21.623  269.419   16.954 -8.335754 27.47732 
1 1 1    8   30   10 o   57.335   15.130   43.557   21.978   41.587   25.138   49.948   45.280   56.388   16.682   64.561   22.677 -8.172981 28.15158 
1 1 1    8   30   11 o  111.993   12.858  161.288   35.308  179.311   46.127  135.787   54.869  117.226   16.189   99.848   22.540 17.37834 27.75134 
1 1 1    8   30   12 o  159.592   12.863  325.383   50.826  411.229   74.243  249.664   69.727  178.167   16.889  136.958   21.062 41.20813 26.99694 
1 1 1    8   30   13 o  169.270   14.275  367.485   59.777  374.405   72.908  353.294  104.411  169.780   17.444  160.726   26.970 9.054718 32.11961 
1 1 1    8   30   14 o  153.021   11.985  298.231   45.433  338.799   66.781  263.276   61.989  161.703   16.782  141.983   17.880 19.71989 24.52230 
1 1 1    8   30   15 o  136.160   11.814  236.292   39.770  271.403   57.254  203.555   55.285  144.805   16.106  124.479   18.334 20.32568 24.40405 
1 1 1    8   30   16 o  147.212   16.876  281.208   60.918  281.208   60.918   0.0000   0.0000  147.212   16.876  ?   ?  0.000000 16.87592 
1 1 1    8   30   17 o  108.822   24.010  161.260   63.497   0.0000   0.0000  161.260   63.497  ?   ?   108.822   24.010 0.000000 24.01016 
1 1 1    8   30   18 o  209.390   12.329  556.963   64.180  655.138  103.173  494.994   81.970  224.828   18.542  195.860   16.926 28.96744 25.10541 
1 1 1    8   30   19 o  131.354   12.759  220.592   41.324  343.726   62.757  126.329   54.909  163.430   15.565   96.438   23.104 66.99137 27.85810 
1 1 1    8   30   20 o   43.525   14.264   23.194   17.888   28.035   20.938   10.112   34.418   47.555   15.424   45.773   18.793 1.782055 24.31255 
1 1 1    8   30   21 o   63.469   14.402   53.210   22.303   74.532   28.926   21.952   35.023   75.055   15.926   50.386   19.518 24.66868 25.19130 
1 1 1    8   30   22 o   76.390   12.890   75.881   23.713   83.177   32.862   67.955   34.252   79.139   17.126   71.370   18.914 7.768486 25.51549 
1 1 1    8   30   23 o   54.704   14.426   39.422   19.988   50.856   27.935   27.426   28.613   62.081   17.348   49.969   17.977 12.11140 24.98227 
1 1 1    8   30   24 o   53.294   14.662   37.272   20.124   48.300   29.655   27.859   27.399   60.860   18.145   49.711   17.622 11.14903 25.29364 
1 1 1    8   30   25 o  209.219   21.825  575.129  112.346   0.0000   0.0000  575.129  112.346  ?   ?   209.219   21.825 0.000000 21.82468 
1 1 1    8   30   26 o  126.122   11.520  202.602   35.881  329.375   57.393  121.260   45.973  160.285   14.496   95.195   19.976 65.08976 24.68164 
1 1 1    8   30   27 o  107.652   9.9965  147.250   26.567  191.609   34.080   78.540   42.415  122.669   11.251   76.552   21.371 46.11667 24.15170 
1 1 1    8   30   28 o  186.564   11.086  441.133   51.414  483.795   61.400  341.031   94.052  194.971   12.680  159.312   24.420 35.65869 27.51542 
1 1 1    8   30   29 o  158.498   19.851  330.220   76.848   0.0000   0.0000  330.220   76.848  ?   ?   158.498   19.851 0.000000 19.85131 
1 1 1    8   31    0 o  205.266   12.928  544.846   65.930  484.091   90.715  612.865   95.985  189.376   19.459  214.301   18.106 -24.92557 26.57949 
1 1 1    8   31    1 o  190.949   23.762  505.913  110.855   0.0000   0.0000  505.913  110.855  ?   ?   190.949   23.762 0.000000 23.76208 
1 1 1    8   31    2 o  122.936   13.358  196.330   40.348  187.865   50.324  211.565   67.515  118.614   17.517  123.485   22.732 -4.871254 28.69813 
1 1 1    8   31    3 o  331.574   14.913  1420.32  123.483  1359.21  197.090  1459.81  158.434  313.853   25.364  332.072   19.188 -18.21927 31.80387 
1 1 1    8   31    4 o  102.267   15.164  137.612   37.552  183.734   46.932   55.546   62.604  118.007   16.367   69.904   26.336 48.10304 31.00787 
1 1 1    8   31    5 o  156.722   15.407  319.663   59.517  318.779   66.809  323.061  131.004  155.605   17.497  145.423   36.213 10.18219 40.21817 
1 1 1    8   31    6 o  196.641   12.472  494.836   60.926  458.334   86.957  530.034   85.390  186.286   18.957  201.418   17.140 -15.13257 25.55653 
1 1 1    8   31    7 o  338.891   14.400  1472.88  121.865  1332.31  196.410  1560.87  155.393  312.995   25.347  345.857   18.055 -32.86130 31.11958 
1 1 1    8   31    8 o  511.209   19.644  3422.33  250.768  3230.65  424.818  3524.84  310.669  469.881   36.491  512.563   24.272 -42.68146 43.82578 
1 1 1    8   31    9 o  128.270   13.777  212.442   43.437  273.857   58.484  136.884   64.869  144.875   16.458   98.889   25.945 45.98620 30.72432 
1 1 1    8   31   10 o  198.210   22.230  524.602  108.136   0.0000   0.0000  524.602  108.136  ?   ?   198.210   22.230 0.000000 22.23021 
1 1 1    8   31   11 o  190.971   12.485  465.449   59.213  498.043   88.287  438.800   79.831  195.199   18.327  183.432   17.646 11.76724 25.44078 
1 1 1    8   31   12 o  292.196   14.078  1089.90  102.726  1167.38  167.733  1043.40  129.948  296.437   22.834  283.133   18.481 13.30478 29.37595 
1 1 1    8   31   13 o  214.559   11.668  585.080   62.281  519.487   93.608  637.180   83.426  199.225   19.048  222.645   15.094 -23.42058 24.30331 
1 1 1    8   31   14 o  127.913   29.127  230.408   90.953   0.0000   0.0000  230.408   90.953  ?   ?   127.913   29.127 0.000000 29.12677 
1 1 1    8   31   15 o  161.906   17.330  341.152   68.979  341.152   68.979   0.0000   0.0000  161.906   17.330  ?   ?  0.000000 17.33002 
1 1 1    8   31   16 o   79.238   14.569   82.497   27.766  116.430   35.386   28.141   44.786   94.229   15.583   56.541   22.024 37.68765 26.97966 
1 1 1    8   31   17 o  247.292   13.506  780.015   83.089  1003.49  136.609  648.806  104.677  277.317   19.858  223.160   18.963 54.15710 27.45825 
1 1 1    8   31   18 o  140.802   11.993  252.871   41.767  301.656   61.266  210.509   57.091  152.591   16.332  126.435   18.641 26.15601 24.78376 
1 1 1    8   31   19 o  155.340   12.523  307.898   48.164  437.118   74.424  214.777   63.179  183.988   16.369  127.062   20.618 56.92618 26.32610 
1 1 1    8   31   20 o   60.952   14.619   49.218   21.965   52.165   27.248   43.748   37.118   62.696   16.983   60.053   20.561 2.642441 26.66850 
1 1 1    8   31   21 o  204.863   12.154  533.411   61.902  635.628  100.986  471.886   78.346  221.266   18.445  191.181   16.575 30.08548 24.79761 
1 1 1    8   31   22 o   97.355   12.590  122.071   29.890  178.010   44.001   74.138   40.731  117.111   15.421   74.395   21.004 42.71606 26.05694 
1 1 1    8   31   23 o  174.601   11.803  387.509   51.160  487.200   83.142  326.761   64.902  193.997   17.345  158.851   16.607 35.14528 24.01340 
1 1 1    8   31   24 o   60.514   14.653   48.509   21.907   67.428   32.616   32.959   29.570   71.006   18.284   52.903   18.340 18.10302 25.89714 
1 1 1    8   31   25 o  223.175   12.747  633.868   70.746  1049.26  120.365  414.623   87.445  285.377   16.966  177.726   20.054 107.6505 26.26796 
1 1 1    8   31   26 o  154.078   23.036  317.927   85.912   0.0000   0.0000  317.927   85.912  ?   ?   154.078   23.036 0.000000 23.03563 
1 1 1    8   31   27 o  101.962   12.672  133.883   31.569  198.139   47.296   82.251   42.396  123.494   15.691   78.043   21.203 45.45100 26.37716 
1 1 1    8   31   28 o  111.303   10.444  157.818   28.690  212.033   36.431   69.300   46.551  128.926   11.434   72.585   22.942 56.34035 25.63360 
1 1 1    8   31   29 o  218.069   10.993  603.297   59.672  777.891   81.618  402.796   87.464  246.822   13.291  174.528   20.456 72.29449 24.39489 
1 1 1    8   32    0 o  172.896   12.781  390.060   54.793  336.850   71.822  464.156   84.753  156.828   18.709  184.376   18.665 -27.54787 26.42701 
1 1 1    8   32    1 o  157.120   13.048  321.860   50.731  300.916   66.019  352.061   79.276  149.040   18.111  159.798   20.326 -10.75868 27.22422 
1 1 1    8   32    2 o  146.257   13.980  279.938   50.436  271.553   61.734  296.769   87.464  142.068   17.791  143.697   25.298 -1.629150 30.92764 
1 1 1    8   32    3 o   96.470   14.888  123.499   34.711  124.052   41.003  122.100   65.208   95.538   17.843   91.411   26.818 4.126984 32.21146 
1 1 1    8   32    4 o  179.013   12.896  413.806   57.262  396.230   78.301  434.011   83.955  172.202   18.499  180.005   18.963 -7.803009 26.49110 
1 1 1    8   32    5 o  290.229   13.970  1085.88  101.250  1038.92  157.359  1119.07  132.265  275.801   23.059  290.899   18.301 -15.09869 29.43908 
1 1 1    8   32    6 o  145.673   13.407  274.552   48.223  298.254   63.527  242.324   74.077  150.230   17.246  132.290   23.274 17.93971 28.96703 
1 1 1    8   32    7 o  155.772   15.953  317.420   61.179  343.554   69.465  227.062  129.166  161.381   17.518  120.286   38.237 41.09547 42.05890 
1 1 1    8   32    8 f  351.984   14.526  1593.97  127.681  1413.67  207.344  1704.10  162.051  320.310   26.150  361.125   17.970 -40.81488 31.72934 
1 1 1    8   32    9 o   61.741   15.687   51.068   24.234   52.232   27.520   47.048   51.141   62.405   17.136   64.498   23.900 -2.092983 29.40889 
1 1 1    8   32   10 o  139.926   11.981  250.878   41.461  226.021   54.826  284.079   63.365  130.999   17.174  146.893   17.626 -15.89429 24.60908 
1 1 1    8   32   11 o  149.612   23.585  305.217   85.197   0.0000   0.0000  305.217   85.197  ?   ?   149.612   23.585 0.000000 23.58479 
1 1 1    8   32   12 o  346.765   15.079  1544.53  130.576  1562.31  216.469  1534.36  163.715  339.061   25.759  342.174   19.238 -3.113068 32.14991 
1 1 1    8   32   13 o   88.970   23.346  109.237   52.520   0.0000   0.0000  109.237   52.520  ?   ?    88.970   23.346 0.000000 23.34620 
1 1 1    8   32   14 o   45.685   15.960   24.220   22.416   24.220   22.416   0.0000   0.0000   45.685   15.960  ?   ?  0.000000 15.96039 
1 1 1    8   32   15 o   98.893   14.091  127.277   33.814  176.550   44.330   58.714   52.292  116.290   15.664   69.262   24.367 47.02824 28.96712 
1 1 1    8   32   16 o  107.932   13.553  150.704   35.724  202.521   47.987   86.281   53.507  124.677   15.765   79.908   24.494 44.76918 29.12893 
1 1 1    8   32   17 o   98.517   14.789  126.719   35.260  225.085   48.574   17.142   51.267  131.797   15.027   55.664   22.905 76.13298 27.39446 
1 1 1    8   32   18 o  208.234   12.684  553.096   65.643  691.727  104.816  463.637   84.200  230.404   18.370  188.492   18.111 41.91222 25.79695 
1 1 1    8   32   19 o  216.274   12.831  596.651   68.989  746.149  111.482  503.866   87.826  239.151   18.819  196.608   18.091 42.54343 26.10495 
1 1 1    8   32   20 o   73.487   26.016   65.956   59.701   0.0000   0.0000   65.956   59.701  ?   ?    73.487   26.016 0.000000 26.01616 
1 1 1    8   32   21 o  125.934   12.969  203.667   40.201  350.479   61.544   94.399   53.094  164.850   15.119   83.254   24.135 81.59574 28.47912 
1 1 1    8   32   22 o   91.853   13.627  109.660   30.308  188.550   44.338   40.462   41.525  120.535   15.059   59.806   21.636 60.72843 26.36115 
1 1 1    8   32   23 o  136.958   12.149  239.781   41.119  388.352   65.539  143.336   52.805  173.525   15.281  102.927   21.249 70.59805 26.17247 
1 1 1    8   32   24 f  193.284   13.467  478.026   64.596  538.320   90.607  415.704   92.118  203.280   18.036  176.995   21.267 26.28566 27.88569 
1 1 1    8   32   25 o  116.315   11.971  173.382   34.275  285.293   54.740  101.208   43.960  148.597   14.955   86.334   20.665 62.26262 25.50879 
1 1 1    8   32   26 o  191.894   12.237  469.555   58.332  779.101   97.968  299.545   72.604  245.668   16.058  150.387   19.816 95.28107 25.50502 
1 1 1    8   32   27 o   68.678   26.056   50.195   61.544   0.0000   0.0000   50.195   61.544  ?   ?    68.678   26.056 0.000000 26.05588 
1 1 1    8   32   28 o   92.159   13.252  110.436   29.622  109.684   41.201  111.240   42.617   90.197   18.897   90.702   19.402 -0.5051956 27.08422 
1 1 1    8   32   29 o   66.927   15.405   59.869   25.212   89.503   33.284   19.979   38.617   81.761   16.862   50.856   20.253 30.90493 26.35368 
1 1 1    8   32   30 o   64.772   10.307   54.418   16.113   51.883   17.923   65.100   36.788   62.867   11.851   69.381   20.083 -6.514042 23.31912 
1 1 1    8   33    0 o  115.841   14.076  180.254   39.882  170.079   47.556  204.374   73.222  110.199   17.895  114.374   26.200 -4.174797 31.72795 
1 1 1    8   33    1 o  106.883   13.548  152.206   35.349  114.562   41.147  258.262   69.065   89.881   18.930  134.209   21.321 -44.32801 28.51176 
1 1 1    8   33    2 o  140.169   13.225  258.595   45.743  243.355   58.033  283.595   74.330  133.193   17.901  141.060   21.805 -7.866821 28.21169 
1 1 1    8   33    3 o   50.075   16.381   32.681   23.596   40.896   25.833  -8.6866   57.972   55.075   17.042   50.554   22.562 4.521687 28.27544 
1 1 1    8   33    4 o   71.107   27.223   62.477   67.566   0.0000   0.0000   62.477   67.566  ?   ?    71.107   27.223 0.000000 27.22346 
1 1 1    8   33    5 o  169.079   13.143  371.626   55.057  383.143   75.128  358.265   80.920  168.792   18.107  161.576   20.518 7.215866 27.36469 
1 1 1    8   33    6 o   75.016   15.581   75.972   28.234   73.623   32.204   83.774   58.697   73.213   17.790   77.499   25.859 -4.286011 31.38765 
1 1 1    8   33    7 o   79.909   15.233   85.522   29.287   80.143   33.986  101.040   57.724   76.457   18.084   84.137   25.368 -7.679642 31.15380 
1 1 1    8   33    8 f  165.199   15.393  357.288   62.770  356.672   71.823  359.277  129.153  163.779   17.850  152.440   34.706 11.33835 39.02740 
1 1 1    8   33    9 o   85.519   15.613   97.576   32.114  126.885   38.660   32.334   57.681   97.499   16.465   61.446   24.656 36.05287 29.64830 
1 1 1    8   33   10 o  197.955   11.794  501.615   58.037  424.867   83.253  574.171   80.948  178.666   18.949  209.981   15.548 -31.31555 24.51140 
1 1 1    8   33   11 o  242.465   13.364  755.943   80.602  792.711  125.419  730.072  105.203  243.390   20.836  235.504   18.026 7.885757 27.55114 
1 1 1    8   33   12 o  177.933   23.110  431.383  100.260   0.0000   0.0000  431.383  100.260  ?   ?   177.933   23.110 0.000000 23.10990 
1 1 1    8   33   13 o  270.653   28.004  1023.23  186.533   0.0000   0.0000  1023.23  186.533  ?   ?   270.653   28.004 0.000000 28.00400 
1 1 1    8   33   14 o  118.955   12.708  182.514   37.164  186.820   48.727  176.525   57.462  118.969   16.875  113.990   20.959 4.979393 26.90777 
1 1 1    8   33   15 o  153.485   12.593  302.299   47.840  345.260   68.406  261.171   66.930  162.314   17.136  139.863   19.710 22.45149 26.11713 
1 1 1    8   33   16 o  101.512   14.147  134.378   34.887  190.627   46.225   59.929   53.180  120.699   15.708   69.600   24.563 51.09878 29.15677 
1 1 1    8   33   17 o  211.515   14.311  575.862   75.146  549.687   96.982  615.188  118.872  204.189   19.247  214.044   22.580 -9.854156 29.67019 
1 1 1    8   33   18 o  145.278   13.336  271.628   47.841  414.406   71.587  156.397   64.311  178.528   16.235  105.930   24.757 72.59766 29.60526 
1 1 1    8   33   19 o   89.293   14.526  104.622   31.277  161.767   42.188   34.883   46.606  111.129   15.635   59.163   22.620 51.96667 27.49719 
1 1 1    8   33   20 o  110.107   12.827  156.463   34.607  197.118   48.801  115.335   49.084  122.629   16.343   91.699   21.762 30.93042 27.21546 
1 1 1    8   33   21 o  115.531   26.727  187.818   75.574   0.0000   0.0000  187.818   75.574  ?   ?   115.531   26.727 0.000000 26.72653 
1 1 1    8   33   22 o  145.878   12.332  272.636   44.503  403.984   69.857  182.915   57.736  176.368   16.037  116.474   20.604 59.89449 26.10938 
1 1 1    8   33   23 o   72.043   15.197   69.068   26.480   86.980   38.942   53.663   36.114   79.993   19.639   64.016   20.204 15.97741 28.17656 
1 1 1    8   33   24 o  146.850   12.119  276.154   44.046  517.649   71.474  128.294   55.927  200.463   14.373   96.182   23.488 104.2815 27.53702 
1 1 1    8   33   25 f  225.569   14.312  655.018   80.199  748.657  112.994  559.958  113.848  238.465   19.136  203.863   22.751 34.60228 29.72902 
1 1 1    8   33   26 o   83.721   13.945   92.057   28.129  113.506   43.208   76.280   37.058   91.418   19.521   74.842   19.597 16.57662 27.66045 
1 1 1    8   33   27 o  132.350   12.217  225.149   39.922  323.798   62.783  158.188   51.726  157.366   16.208  108.085   19.897 49.28147 25.66339 
1 1 1    8   33   28 o   98.224   28.048  138.915   72.208   0.0000   0.0000  138.915   72.208  ?   ?    98.224   28.048 0.000000 28.04840 
1 1 1    8   33   29 o  122.147   13.544  193.790   40.616  344.508   61.009   73.813   54.432  162.540   15.208   74.305   24.902 88.23464 29.17843 
1 1 1    8   33   30 o   86.654   15.211   99.878   31.713  166.867   42.431   15.097   47.735  112.444   15.525   52.892   21.964 59.55207 26.89685 
1 1 1    8   33   31 o  269.289   15.061  944.281  100.871  1386.01  170.233  705.263  125.222  319.893   21.434  227.022   22.379 92.87105 30.98817 
1 1 1    8   34    0 o   36.795   14.758   11.314   20.656   23.149   21.916 -82.8447   61.817   43.311   15.711   39.481   19.256 3.830315 24.85244 
1 1 1    8   34    1 o   72.101   17.969   75.404   32.238   81.655   33.149 -33.7290  138.511   75.102   17.924   65.223   31.037 9.878868 35.84065 
1 1 1    8   34    2 o   62.759   15.999   55.457   25.149   33.783   27.459  168.232   62.635   50.750   17.668  104.189   24.488 -53.43888 30.19637 
1 1 1    8   34    3 o   62.280   17.006   54.648   27.192   68.526   30.549   1.7042   59.669   69.480   17.590   52.268   23.133 17.21238 29.06112 
1 1 1    8   34    4 o   86.838   15.315  102.906   31.996  103.966   37.213   99.903   62.663   86.050   17.901   80.722   26.708 5.328453 32.15252 
1 1 1    8   34    5 o   57.848   24.624   19.676   62.373   0.0000   0.0000   19.676   62.373  ?   ?    57.848   24.624 0.000000 24.62429 
1 1 1    8   34    6 o  213.259   13.072  593.820   69.276  561.309   99.856  623.988   96.190  201.457   20.118  214.398   18.136 -12.94141 27.08621 
1 1 1    8   34    7 o  149.887   12.632  292.656   46.841  263.840   61.304  333.074   72.605  139.332   18.043  156.079   19.022 -16.74760 26.21796 
1 1 1    8   34    8 o  203.909   12.363  538.072   62.654  471.584   89.473  602.047   87.765  186.033   19.552  212.761   16.652 -26.72786 25.68219 
1 1 1    8   34    9 o  125.597   15.536  209.249   47.688  209.223   52.306  209.379  116.081  124.765   17.250  112.857   36.288 11.90776 40.17913 
1 1 1    8   34   10 o  222.497   13.433  641.723   74.288  690.415  112.523  604.102   98.907  225.754   20.172  212.119   18.869 13.63516 27.62180 
1 1 1    8   34   11 o  123.544   21.921  211.977   65.151   0.0000   0.0000  211.977   65.151  ?   ?   123.544   21.921 0.000000 21.92069 
1 1 1    8   34   12 o  372.056   15.386  1800.82  142.952  1641.39  234.492  1895.11  180.339  339.212   27.931  377.062   19.216 -37.84985 33.90268 
1 1 1    8   34   13 f  154.055   13.113  307.015   49.965  354.325   70.241  258.560   71.087  163.466   17.478  137.377   21.420 26.08948 27.64644 
1 1 1    8   34   14 o  191.380   23.672  504.922  110.717   0.0000   0.0000  504.922  110.717  ?   ?   191.380   23.672 0.000000 23.67163 
1 1 1    8   34   15 o  285.695   12.885  1046.37   91.925  934.310  147.459  1117.60  117.564  262.094   22.756  292.707   16.146 -30.61343 27.90232 
1 1 1    8   34   16 o   92.327   15.275  112.916   33.986  167.846   43.826   30.048   53.830  112.704   16.023   59.626   23.857 53.07828 28.73808 
1 1 1    8   34   17 o  103.262   15.475  140.735   38.675  266.771   53.395   1.6252   56.096  142.923   15.193   53.195   23.007 89.72864 27.57078 
1 1 1    8   34   18 o   96.392   15.176  122.656   35.322  123.730   40.659  119.353   71.316   95.983   17.612   91.457   28.319 4.525475 33.34871 
1 1 1    8   34   19 o   82.549   14.522   90.127   28.843  102.769   37.390   71.548   45.326   87.252   17.764   72.635   22.590 14.61652 28.73838 
1 1 1    8   34   20 o  181.925   12.553  424.906   56.679  550.645   89.342  340.215   73.323  204.597   17.660  159.995   18.705 44.60223 25.72443 
1 1 1    8   34   21 f  194.450   13.035  486.194   62.926  762.376  102.797  320.682   79.578  241.260   17.175  153.949   21.268 87.31169 27.33661 
1 1 1    8   34   22 o  101.175   28.762  148.556   76.104   0.0000   0.0000  148.556   76.104  ?   ?   101.175   28.762 0.000000 28.76185 
1 1 1    8   34   23 o   94.984   13.492  117.900   31.104  183.590   46.503   64.727   41.839  117.924   16.221   69.351   21.726 48.57352 27.11383 
1 1 1    8   34   24 o   68.867   15.613   63.764   26.231   68.220   38.827   60.022   35.579   70.703   20.680   66.644   19.876 4.059502 28.68317 
1 1 1    8   34   25 o  189.007   12.680  459.521   59.501  744.279   98.946  298.219   74.470  238.307   16.733  148.393   20.656 89.91411 26.58346 
1 1 1    8   34   26 o  123.413   13.623  198.187   41.285  226.272   57.516  168.335   59.296  130.024   18.214  109.997   22.350 20.02740 28.83117 
1 1 1    8   34   27 o  106.649   13.242  148.330   34.506  241.746   53.221   80.582   45.324  135.342   16.061   76.123   22.366 59.21880 27.53483 
1 1 1    8   34   28 o  145.299   12.765  273.219   45.846  431.532   71.976  165.139   59.470  181.123   16.081  108.445   22.689 72.67771 27.80989 
1 1 1    8   34   29 o  171.298   15.872  386.545   67.123  516.469   87.390  199.619  104.822  196.796   17.981  112.421   34.250 84.37495 38.68284 
1 1 1    8   34   30 o   96.936   13.938  124.009   32.769  139.346   44.211  105.311   48.814  101.114   18.178   86.043   22.473 15.07111 28.90452 
1 1 1    8   34   31 o  181.966   13.631  431.632   61.488  413.601   79.759  458.049   96.541  175.048   18.528  181.879   21.683 -6.830673 28.52081 
1 1 1    8   34   32 o   77.842   25.411   86.943   56.794   0.0000   0.0000   86.943   56.794  ?   ?    77.842   25.411 0.000000 25.41128 
1 1 1    8   35    0 o  177.218   12.774  428.657   56.153  325.530   71.954  589.295   89.803  145.337   20.386  199.502   18.227 -54.16420 27.34653 
1 1 1    8   35    1 o   69.256   16.074   69.724   27.264   46.397   29.979  181.281   65.559   56.110   18.469  103.248   25.563 -47.13841 31.53694 
1 1 1    8   35    2 o   84.909   17.733  105.441   36.387  105.595   37.796  103.495  134.541   84.484   18.433   76.625   34.272 7.859337 38.91515 
1 1 1    8   35    3 o  203.014   12.939  552.005   65.252  463.628   89.764  651.034   95.020  177.063   20.692  214.060   17.941 -36.99649 27.38666 
1 1 1    8   35    4 o   62.367   16.757   55.612   26.655   54.827   29.549   59.041   61.760   61.623   18.046   65.545   25.767 -3.922386 31.45778 
1 1 1    8   35    5 o  158.739   12.794  334.355   50.285  288.437   65.453  400.490   78.552  142.639   18.836  168.091   19.050 -25.45192 26.79017 
1 1 1    8   35    6 o  105.797   14.759  151.774   37.930  166.970   46.143  120.110   66.606  109.407   17.477   86.459   27.455 22.94830 32.54589 
1 1 1    8   35    7 o  211.064   20.562  630.310  106.997   0.0000   0.0000  630.310  106.997  ?   ?   211.064   20.562 0.000000 20.56152 
1 1 1    8   35    8 o  146.104   13.460  282.039   48.558  300.996   64.822  257.800   73.299  147.972   17.907  133.139   22.871 14.83290 29.04694 
1 1 1    8   35    9 o  111.999   14.203  167.085   38.830  186.639   49.053  134.268   63.548  116.760   17.351   93.803   26.149 22.95712 31.38180 
1 1 1    8   35   10 o  105.547   23.976  163.659   61.754   0.0000   0.0000  163.659   61.754  ?   ?   105.547   23.976 0.000000 23.97569 
1 1 1    8   35   11 f  194.590   15.018  500.370   72.412  456.941   85.848  607.463  134.811  182.878   19.079  202.560   27.351 -19.68175 33.34788 
1 1 1    8   35   12 o   76.240   15.725   79.040   28.944   82.039   33.911   70.994   55.549   76.917   17.978   71.946   25.125 4.971947 30.89471 
1 1 1    8   35   13 o  157.050   12.469  320.068   48.500  311.204   66.926  329.871   70.383  151.822   18.003  156.097   18.410 -4.275040 25.74995 
1 1 1    8   35   14 o   95.538   14.072  120.838   32.568  122.138   40.225  118.365   55.488   94.607   17.677   90.386   24.131 4.220947 29.91267 
1 1 1    8   35   15 o  229.910   24.167  742.704  136.671   0.0000   0.0000  742.704  136.671  ?   ?   229.910   24.167 0.000000 24.16663 
1 1 1    8   35   16 o  144.028   12.770  269.182   45.454  309.069   64.573  230.007   63.995  152.115   17.307  129.294   20.505 22.82153 26.83274 
1 1 1    8   35   17 o   97.271   14.384  125.130   33.885  148.233   43.581   89.811   53.885  104.858   17.243   79.569   24.612 25.28866 30.05118 
1 1 1    8   35   18 o  127.241   12.887  210.420   40.382  256.632   57.204  164.515   57.014  138.832   16.845  108.458   21.807 30.37374 27.55526 
1 1 1    8   35   19 o  205.196   13.689  546.364   69.740  468.905   91.104  655.993  108.384  186.166   19.906  220.460   19.902 -34.29385 28.14805 
1 1 1    8   35   20 o  138.905   12.767  250.130   43.789  336.376   65.625  180.911   58.791  159.273   16.751  114.126   21.416 45.14641 27.18853 
1 1 1    8   35   21 o   55.569   16.960   41.071   25.688   50.021   34.040   29.233   39.148   61.305   19.644   53.783   20.691 7.522282 28.53103 
1 1 1    8   35   22 o   52.807   17.144   36.087   25.863   72.552   35.055  -7.4721   38.313   72.461   19.102   41.976   18.559 30.48480 26.63343 
1 1 1    8   35   23 o   61.399   25.563   25.136   64.905   0.0000   0.0000   25.136   64.905  ?   ?    61.399   25.563 0.000000 25.56323 
1 1 1    8   35   24 f   70.153   15.899   66.787   27.209   89.862   40.485   47.779   36.745   80.224   20.217   60.614   20.459 19.61001 28.76268 
1 1 1    8   35   25 o  126.933   12.513  209.210   39.148  273.614   61.603  165.581   50.703  142.818   17.649  109.963   19.161 32.85555 26.05019 
1 1 1    8   35   26 o   62.011   16.974   52.504   27.051   60.488   40.056   45.810   36.678   66.590   21.307   59.606   20.439 6.983929 29.52485 
1 1 1    8   35   27 o   47.942   17.379   26.473   26.811   46.392   34.657  -3.2154   42.310   59.424   19.870   45.005   19.714 14.41906 27.99089 
1 1 1    8   35   28 o   95.017   14.592  120.259   33.516  175.374   48.489   69.841   46.377  113.649   17.659   70.821   22.954 42.82829 28.96084 
1 1 1    8   35   29 o  122.800   13.267  197.786   40.037  230.091   57.289  166.945   55.976  130.012   18.140  108.691   21.385 21.32101 28.04221 
1 1 1    8   35   30 o   60.861   18.398   50.867   30.332   51.046   33.735   50.108   69.306   61.203   19.550   67.734   27.081 -6.530670 33.39998 
1 1 1    8   35   31 o  129.340   13.777  220.839   43.814  318.196   62.684  127.839   61.265  153.741   16.590   92.167   25.669 61.57406 30.56326 
1 1 1    8   35   32 o   93.904   10.131  114.244   23.380  107.098   24.830  170.136   69.437   90.516   11.226  105.669   26.392 -15.15289 28.68057 
1 1 1    8   36    0 o  132.193   33.311  391.602  109.918   0.0000   0.0000  391.602  109.918  ?   ?   132.193   33.311 0.000000 33.31078 
1 1 1    8   36    1 f  142.897   13.428  285.546   47.354  223.205   57.914  411.293   82.252  118.681   20.269  160.156   21.078 -41.47520 29.24248 
1 1 1    8   36    2 o   79.268   16.156   92.469   30.895   76.751   34.600  154.301   68.625   69.852   19.228   89.528   27.789 -19.67657 33.79253 
1 1 1    8   36    3 o   33.775   13.989   7.3733   19.295   6.4748   20.314   15.659   61.689   34.004   14.241   52.398   23.338 -18.39405 27.34027 
1 1 1    8   36    4 o  140.944   16.987  285.690   58.583  295.149   64.551  241.518  139.495  141.335   18.753   94.963   38.259 46.37247 42.60777 
1 1 1    8   36    5 o  209.033   13.618  593.619   70.696  563.865  100.489  622.778   99.478  193.162   21.180  205.526   19.621 -12.36420 28.87164 
1 1 1    8   36    6 o  116.379   13.979  184.956   39.813  165.203   48.363  226.486   70.127  106.331   18.907  119.523   24.323 -13.19199 30.80686 
1 1 1    8   36    7 o  133.711   12.497  238.534   41.245  174.180   51.487  353.795   68.906  109.173   19.606  158.230   17.744 -49.05676 26.44385 
1 1 1    8   36    8 o  137.697   27.079  304.011   89.793   0.0000   0.0000  304.011   89.793  ?   ?   137.697   27.079 0.000000 27.07881 
1 1 1    8   36    9 o  174.482   19.764  434.048   84.596   0.0000   0.0000  434.048   84.596  ?   ?   174.482   19.764 0.000000 19.76417 
1 1 1    8   36   10 o   70.218   16.857   69.544   29.183   81.378   33.784   34.755   57.925   75.483   18.147   59.302   24.368 16.18147 30.38262 
1 1 1    8   36   11 o   98.427   14.124  130.384   33.721  116.350   40.584  161.677   60.603   90.613   18.560  103.540   23.920 -12.92753 30.27602 
1 1 1    8   36   12 o  112.875   15.345  172.324   42.131  157.980   46.231  242.616  102.338  106.506   18.025  118.999   33.187 -12.49310 37.76632 
1 1 1    8   36   13 o   92.273   14.481  114.668   32.270  112.555   39.116  119.168   57.097   89.684   18.090   88.746   24.803 0.9377365 30.69911 
1 1 1    8   36   14 o  161.501   11.435  338.500   45.820  233.160   61.911  466.074   68.132  129.022   19.852  187.427   14.674 -58.40540 24.68665 
1 1 1    8   36   15 o  160.739   12.291  336.849   48.962  311.488   68.847  362.802   69.646  150.462   18.729  163.565   17.315 -13.10245 25.50611 
1 1 1    8   36   16 o  185.956   14.507  456.760   66.833  460.132   86.265  451.698  105.702  183.029   19.158  176.314   24.684 6.715088 31.24623 
1 1 1    8   36   17 o  139.411   18.637  266.572   63.258   0.0000   0.0000  266.572   63.258  ?   ?   139.411   18.637 0.000000 18.63695 
1 1 1    8   36   18 o   88.624   15.142  105.848   32.308  119.093   41.271   84.886   51.920   92.610   18.493   76.599   24.231 16.01079 30.48177 
1 1 1    8   36   19 o  140.479   12.599  257.450   43.727  305.418   64.456  216.552   59.517  150.257   17.507  124.964   19.727 25.29253 26.37473 
1 1 1    8   36   20 o  195.927   13.269  501.095   64.538  791.119  104.812  323.981   81.907  242.734   17.407  151.412   22.333 91.32193 28.31571 
1 1 1    8   36   21 o  246.901   15.741  807.973   96.544  851.657  132.909  759.176  140.473  247.178   21.754  229.708   24.887 17.46968 33.05423 
1 1 1    8   36   22 o  114.184   13.377  171.615   37.421  262.242   56.873  102.421   49.694  139.667   16.634   83.978   23.014 55.68970 28.39564 
1 1 1    8   36   23 o   92.581   15.272  115.369   34.076  210.593   52.262   44.951   44.942  124.628   17.256   60.612   22.416 64.01535 28.28863 
1 1 1    8   36   24 o   69.820   17.221   67.572   29.838  113.052   42.710   24.217   41.701   89.648   19.623   52.371   20.982 37.27676 28.72821 
1 1 1    8   36   25 o   72.790   16.029   72.696   28.348   51.617   41.650   90.888   38.693   62.430   21.759   80.212   19.505 -17.78218 29.22164 
1 1 1    8   36   26 o   91.063   14.533  111.233   31.937  139.374   48.546   89.761   42.406   99.277   20.267   79.062   21.090 20.21492 29.24973 
1 1 1    8   36   27 o   66.271   17.126   61.091   28.547  104.614   41.465   21.878   39.359   85.867   19.750   50.523   20.334 35.34354 28.34638 
1 1 1    8   36   28 o  107.397   15.946  156.294   41.467  169.619   53.556  136.349   65.523  109.443   20.345   94.185   26.657 15.25775 33.53399 
1 1 1    8   36   29 o   48.512   17.439   28.493   26.924   45.796   34.473   1.4305   43.112   58.417   19.816   45.974   20.026 12.44242 28.17279 
1 1 1    8   36   30 o   73.014   17.040   74.542   30.503   70.218   39.091   81.274   48.773   69.846   20.835   74.314   23.483 -4.467598 31.39292 
1 1 1    8   36   31 o   76.077   18.465   82.259   34.725   82.465   38.861   81.446   77.352   75.486   20.213   75.570   29.081 -0.8333588E-01 35.41553 
1 1 1    8   36   32 o   96.930   23.241  140.763   55.527   0.0000   0.0000  140.763   55.527  ?   ?    96.930   23.241 0.000000 23.24103 
1 1 1    8   36   33 o   95.008   22.436  134.427   52.380   0.0000   0.0000  134.427   52.380  ?   ?    95.008   22.436 0.000000 22.43640 
1 1 1    8   37    0 o   45.273   16.913   29.934   25.710   32.213   27.649   15.370   69.894   46.552   17.509   49.803   23.173 -3.251835 29.04380 
1 1 1    8   37    1 o   41.527   16.240   21.737   24.425   14.600   25.662   90.481   79.643   38.952   16.133   64.262   27.601 -25.31001 31.97029 
1 1 1    8   37    2 o   27.536   12.516  -6.7377   18.791  -4.4864   19.603 -32.2408   65.978   28.869   12.984   43.890   21.030 -15.02099 24.71561 
1 1 1    8   37    3 o   91.895   15.426  123.999   34.146   81.608   38.818  268.994   71.790   69.717   20.754  124.370   23.985 -54.65327 31.71714 
1 1 1    8   37    4 o   27.679   12.452  -5.1858   18.043  -2.1343   18.879 -37.3656   61.307   29.396   13.011   42.769   20.433 -13.37338 24.22413 
1 1 1    8   37    5 o   81.270   18.101  100.718   35.794   98.342   37.452  125.789  121.660   79.426   19.114   73.957   32.867 5.469337 38.02085 
1 1 1    8   37    6 o  100.150   14.340  141.023   34.840  108.815   40.962  225.269   66.249   83.477   19.926  117.123   23.469 -33.64600 30.78693 
1 1 1    8   37    7 o  125.050   13.080  213.858   40.240  154.632   49.388  330.834   69.408  100.145   20.441  149.019   19.091 -48.87452 27.96904 
1 1 1    8   37    8 o  101.927   26.294  177.803   67.369   0.0000   0.0000  177.803   67.369  ?   ?   101.927   26.294 0.000000 26.29436 
1 1 1    8   37    9 o   89.651   16.296  114.506   35.139  101.828   39.491  162.698   76.997   82.264   19.518   94.295   29.462 -12.03041 35.34092 
1 1 1    8   37   10 o   81.296   26.583  111.436   62.145   0.0000   0.0000  111.436   62.145  ?   ?    81.296   26.583 0.000000 26.58350 
1 1 1    8   37   11 o  145.406   12.628  282.309   45.397  243.154   59.829  335.444   69.697  129.785   19.025  153.091   18.614 -23.30637 26.61643 
1 1 1    8   37   12 o   57.854   16.847   47.557   25.819   54.743   29.440   23.611   53.739   61.625   18.003   54.423   22.997 7.201309 29.20542 
1 1 1    8   37   13 o   66.807   18.842   64.887   32.795   91.773   35.297 -104.8701   88.693   79.867   18.114   47.625   23.193 32.24170 29.42860 
1 1 1    8   37   14 o   79.585   16.324   88.758   31.353   92.591   37.785   80.284   56.179   79.829   19.191   72.653   25.273 7.175827 31.73409 
1 1 1    8   37   15 o  337.842   13.855  1515.57  116.887  1190.61  190.460  1711.92  148.046  274.452   28.190  354.238   16.736 -79.78638 32.78407 
1 1 1    8   37   16 o  112.374   13.761  169.204   37.810  181.234   50.078  153.254   57.663  113.578   18.276  100.779   23.367 12.79975 29.66557 
1 1 1    8   37   17 o  164.388   12.236  354.807   49.869  330.936   72.053  376.757   69.091  153.424   19.229  165.834   16.921 -12.41005 25.61380 
1 1 1    8   37   18 o   68.230   26.657   60.580   65.759   0.0000   0.0000   60.580   65.759  ?   ?    68.230   26.657 0.000000 26.65677 
1 1 1    8   37   19 o   61.670   17.772   53.489   28.866   52.253   35.888   55.754   48.584   61.256   20.210   64.208   23.377 -2.951984 30.90141 
1 1 1    8   37   20 o   95.268   14.783  122.892   34.030  179.883   48.720   68.597   47.554  113.880   17.707   68.999   23.275 44.88103 29.24484 
1 1 1    8   37   21 o   63.282   17.473   56.306   28.521   55.633   38.616   57.114   42.304   63.067   20.971   64.029   21.951 -0.9627304 30.35847 
1 1 1    8   37   22 o  104.881   16.626  151.190   42.093  173.486   55.040  119.777   65.331  109.826   20.831   87.364   27.113 22.46204 34.19148 
1 1 1    8   37   23 o   89.163   15.925  109.183   34.156  154.962   51.788   73.938   45.440  103.704   20.722   71.140   22.686 32.56487 30.72578 
1 1 1    8   37   24 o   60.246   18.502   50.792   30.513   82.375   46.048   26.068   40.742   74.625   22.693   51.983   20.770 22.64199 30.76320 
1 1 1    8   37   25 o   42.923   16.845   17.277   26.353  -0.0487   38.296   32.863   36.320   43.032   18.805   53.007   20.039 -9.975395 27.48094 
1 1 1    8   37   26 o  116.402   13.567  180.684   38.695  212.931   60.233  158.023   50.493  121.896   20.516  105.031   19.981 16.86460 28.63876 
1 1 1    8   37   27 o   77.328   16.684   83.682   31.271   92.224   45.449   76.003   43.092   78.671   22.179   71.812   21.976 6.859077 31.22265 
1 1 1    8   37   28 o   64.377   17.959   58.942   29.964   52.558   41.780   65.704   42.999   61.770   21.775   67.284   22.118 -5.513828 31.03791 
1 1 1    8   37   29 o  134.359   15.473  245.350   50.966  275.915   66.116  200.590   80.009  139.400   19.529  110.724   28.700 28.67590 34.71395 
1 1 1    8   37   30 o  121.162   14.587  198.431   43.249  281.159   61.398  116.959   60.930  142.095   17.686   85.821   26.105 56.27328 31.53192 
1 1 1    8   37   31 o   84.257   24.744  110.990   55.488   0.0000   0.0000  110.990   55.488  ?   ?    84.257   24.744 0.000000 24.74431 
1 1 1    8   37   32 o   44.869   20.613 -20.7617   52.794   0.0000   0.0000 -20.7617   52.794  ?   ?    44.869   20.613 0.000000 20.61326 
1 1 1    8   38    0 o   44.116   17.091   29.748   26.855   20.644   28.675   94.693   76.591   40.802   16.990   59.670   26.319 -18.86855 31.32638 
1 1 1    8   38    1 o   79.303   17.977  104.312   34.778   84.870   38.913  181.502   77.535   67.506   20.921   81.864   29.573 -14.35790 36.22488 
1 1 1    8   38    2 o   78.999   17.767  101.358   34.201   86.244   38.454  158.569   74.816   69.284   20.663   78.899   28.966 -9.615143 35.58077 
1 1 1    8   38    3 o  108.632   34.534  324.397  105.362   0.0000   0.0000  324.397  105.362  ?   ?   108.632   34.534 0.000000 34.53439 
1 1 1    8   38    4 o   70.361   17.408   78.362   30.418   60.136   33.872  154.321   69.147   59.820   19.629   83.626   28.067 -23.80621 34.24953 
1 1 1    8   38    5 o  133.914   13.527  254.755   44.616  184.207   54.352  400.504   78.122  104.660   21.515  156.998   20.409 -52.33722 29.65502 
1 1 1    8   38    6 o  153.766   13.508  333.123   51.342  269.998   65.259  435.659   83.172  128.769   21.020  164.236   20.742 -35.46663 29.53082 
1 1 1    8   38    7 o  147.277   24.581  374.997   87.216   0.0000   0.0000  374.997   87.216  ?   ?   147.277   24.581 0.000000 24.58087 
1 1 1    8   38    8 o  108.876   15.198  170.272   40.194  168.321   48.763  174.406   70.989  104.123   19.470   94.876   28.024 9.247200 34.12329 
1 1 1    8   38    9 o   52.861   17.335   41.239   26.419   45.583   29.377   22.861   60.421   55.102   18.290   53.125   23.407 1.976978 29.70521 
1 1 1    8   38   10 o   69.723   16.802   72.096   28.910   61.988   33.124  104.418   59.232   63.338   19.243   76.354   25.975 -13.01565 32.32637 
1 1 1    8   38   11 o  148.998   28.803  394.996  103.291   0.0000   0.0000  394.996  103.291  ?   ?   148.998   28.803 0.000000 28.80274 
1 1 1    8   38   12 o  124.385   13.535  211.987   41.362  179.171   52.847  263.871   66.450  108.664   20.219  131.485   20.940 -22.82144 29.10895 
1 1 1    8   38   13 o  227.968   12.487  697.031   70.814  558.005  105.566  810.771   95.484  189.606   22.750  240.733   15.974 -51.12683 27.79803 
1 1 1    8   38   14 o  108.711   14.300  162.775   37.878  162.458   48.904  163.251   59.883  104.726   19.415  100.652   24.137 4.073990 30.97589 
1 1 1    8   38   15 o  169.387   14.130  390.529   59.223  302.489   71.260  587.138  106.490  142.653   20.601  197.041   22.019 -54.38805 30.15313 
1 1 1    8   38   16 o   59.054   17.481   50.362   27.597   58.044   32.817   31.811   50.995   62.757   19.174   55.338   22.816 7.418606 29.80265 
1 1 1    8   38   17 o   53.701   17.530   40.364   27.028   49.962   32.484   18.770   48.726   58.890   19.218   51.324   21.804 7.566101 29.06411 
1 1 1    8   38   18 o   73.929   17.023   78.356   30.778   61.159   38.970  106.865   50.176   64.283   21.053   82.560   23.314 -18.27755 31.41242 
1 1 1    8   38   19 o   75.720   28.303   92.661   72.022   0.0000   0.0000   92.661   72.022  ?   ?    75.720   28.303 0.000000 28.30268 
1 1 1    8   38   20 o  108.536   14.776  161.219   39.007  208.689   55.294  114.196   55.034  120.506   19.004   84.778   24.570 35.72819 31.06240 
1 1 1    8   38   21 o   48.737   17.758   29.731   28.044   53.929   38.084   1.0652   41.451   61.308   20.828   44.255   19.446 17.05323 28.49489 
1 1 1    8   38   22 o   49.998   18.269   31.458   29.711   86.825   42.038 -23.8020   41.997   75.875   21.309   39.053   18.099 36.82146 27.95812 
1 1 1    8   38   23 o  176.505   15.015  423.358   65.552  461.016   90.482  381.758   95.100  177.981   20.747  156.965   25.108 21.01616 32.57103 
1 1 1    8   38   24 o   98.037   15.969  133.589   37.748  294.468   59.711   26.496   48.718  145.625   16.723   53.824   22.256 91.80032 27.83903 
1 1 1    8   38   25 o   75.064   18.174   81.560   33.702   84.617   51.729   79.306   44.424   73.823   24.259   72.223   22.349 1.599739 32.98433 
1 1 1    8   38   26 o   40.631   16.732   11.388   27.384   23.858   39.093  -0.6262   38.371   49.918   20.204   42.384   18.665 7.533974 27.50565 
1 1 1    8   38   27 o   56.857   20.512   43.785   37.282   26.300   42.967   97.059   75.000   51.931   21.122   77.174   28.875 -25.24302 35.77570 
1 1 1    8   38   28 o  117.518   14.560  188.277   41.813  266.782   62.545  124.841   56.223  136.559   18.843   88.637   24.556 47.92293 30.95210 
1 1 1    8   38   29 o   47.971   18.223   26.843   30.127   46.837   39.533  -0.8521   46.528   58.355   21.111   45.899   20.365 12.45654 29.33302 
1 1 1    8   38   30 o   62.377   20.127   56.852   35.687   54.350   41.497   63.956   69.931   61.550   21.701   67.748   27.161 -6.197857 34.76581 
1 1 1    8   38   31 o   73.309   26.367   85.357   61.552   0.0000   0.0000   85.357   61.552  ?   ?    73.309   26.367 0.000000 26.36670 
1 1 1    8   39    0 o   34.660   15.269   8.9777   25.705   9.0251   26.056   7.2521  157.176   34.801   15.350   47.736   24.284 -12.93509 28.72875 
1 1 1    8   39    1 o   63.347   20.176   79.149   35.951   73.000   37.003  182.669  151.835   60.026   20.530   57.409   28.422 2.617489 35.06077 
1 1 1    8   39    2 o  114.833   16.308  212.409   45.451  183.668   53.526  286.699   86.055   96.913   22.542  101.101   31.075 -4.187416 38.39039 
1 1 1    8   39    3 o   62.467   18.925   69.422   32.070   72.636   35.514   55.221   74.654   62.546   20.067   53.489   24.551 9.056473 31.70892 
1 1 1    8   39    4 o   48.369   18.192   37.692   29.847   29.495   31.995   92.640   82.839   45.258   18.292   60.619   27.019 -15.36009 32.62822 
1 1 1    8   39    5 f   55.543   17.899   51.151   28.231   24.652   30.870  186.565   69.783   43.712   17.855   90.676   28.002 -46.96457 33.21020 
1 1 1    8   39    6 o   89.787   29.413  190.451   76.068   0.0000   0.0000  190.451   76.068  ?   ?    89.787   29.413 0.000000 29.41339 
1 1 1    8   39    7 f   79.745   17.589  100.386   34.085   88.102   38.860  141.358   70.971   71.382   20.635   78.567   28.307 -7.185074 35.02943 
1 1 1    8   39    8 o   65.097   19.131   69.723   33.157   68.650   34.533   82.388  118.651   64.141   19.680   63.585   29.783 0.5558739 35.69833 
1 1 1    8   39    9 o   78.053   16.969   93.322   32.132   74.233   37.016  151.681   64.721   66.548   20.368   86.960   26.986 -20.41270 33.80997 
1 1 1    8   39   10 f  115.081   14.133  188.667   39.762  132.341   48.536  303.609   69.335   88.359   22.064  137.169   20.902 -48.81026 30.39272 
1 1 1    8   39   11 f   85.216   16.736  108.641   34.344   96.149   41.076  137.658   62.604   76.316   20.927   84.738   26.581 -8.421585 33.83049 
1 1 1    8   39   12 o   79.138   18.721   97.250   36.419   82.172   41.264  150.382   77.460   70.330   21.502   84.628   29.663 -14.29804 36.63661 
1 1 1    8   39   13 o  127.840   13.352  226.507   41.996  168.969   54.474  310.809   65.937  101.999   22.031  143.332   18.881 -41.33348 29.01486 
1 1 1    8   39   14 o  129.891   13.638  233.874   43.575  212.501   57.961  261.655   66.083  116.841   20.619  129.101   21.236 -12.26048 29.59944 
1 1 1    8   39   15 o   93.158   15.436  123.975   34.652  101.800   43.149  164.255   58.153   79.707   21.279   99.430   23.747 -19.72305 31.88649 
1 1 1    8   39   16 f   63.685   19.197   62.139   33.059   70.360   36.731   27.083   75.852   67.100   20.237   57.983   25.848 9.116360 32.82803 
1 1 1    8   39   17 f  106.498   14.704  158.675   38.061  156.291   50.931  161.691   57.280  100.381   20.993   99.702   23.407 0.6789246 31.44183 
1 1 1    8   39   18 o   72.086   17.993   77.506   32.288   69.732   41.157   89.948   52.066   66.602   21.627   73.476   24.347 -6.874519 32.56542 
1 1 1    8   39   19 o   98.791   15.388  137.485   36.727  137.558   50.571  137.402   53.425   93.448   22.030   92.281   23.207 1.166733 31.99823 
1 1 1    8   39   20 o   80.732   20.573  100.503   41.597  115.622   48.967   61.306   78.843   85.047   22.651   66.145   27.898 18.90167 35.93547 
1 1 1    8   39   21 o   67.813   18.938   69.103   33.300   54.341   47.554   83.306   46.645   61.069   22.964   72.150   22.982 -11.08090 32.48928 
1 1 1    8   39   22 f   37.362   16.356   0.3666   29.080  -5.3783   41.137   6.1045   41.113   41.923   18.837   44.719   19.515 -2.796432 27.12312 
1 1 1    8   39   23 f   43.522   17.741   16.618   30.398   52.371   44.478 -14.7187   41.640   60.224   22.295   40.159   18.397 20.06454 28.90482 
1 1 1    8   39   24 o   41.164   17.803   5.0883   33.590 -16.4646   44.778   32.824   50.796   41.299   18.977   55.131   22.756 -13.83216 29.63029 
1 1 1    8   39   25 o   92.412   16.862  122.310   37.478   77.192   58.141  154.383   49.021   69.513   25.532  101.551   20.042 -32.03822 32.45908 
1 1 1    8   39   26 o  113.510   14.699  178.053   40.685  173.372   61.589  181.677   54.193  103.881   24.193  110.001   20.482 -6.120140 31.69889 
1 1 1    8   39   27 o   55.795   18.947   44.451   31.515   79.633   44.325   8.4857   44.816   71.225   22.370   46.891   20.422 24.33374 30.28977 
1 1 1    8   39   28 f   60.763   26.746   30.746   78.705   0.0000   0.0000   30.746   78.705  ?   ?    60.763   26.746 0.000000 26.74587 
1 1 1    8   39   29 f   39.207   16.933   4.0130   30.300   36.163   39.272 -43.2756   47.629   53.541   20.688   38.067   18.138 15.47407 27.51335 
1 1 1    8   39   30 o   49.790   22.172   4.6096   55.645   0.0000   0.0000   4.6096   55.645  ?   ?    49.790   22.172 0.000000 22.17177 
1 1 1    8   40    1 f   51.802   19.429   58.724   33.998   51.799   34.789  205.806  160.330   48.856   19.297   50.956   25.770 -2.099865 32.19439 
1 1 1    8   40    2 o   39.334   16.693   22.175   28.512   19.293   29.045   98.538  149.519   38.475   16.598   49.558   25.043 -11.08349 30.04357 
1 1 1    8   40    3 o   53.449   19.040   55.965   32.022   62.831   34.987   20.528   79.485   55.475   19.887   45.781   22.217 9.694084 29.81718 
1 1 1    8   40    4 o   49.396   18.176   43.961   29.484   33.761   31.944  102.646   76.621   45.104   18.260   58.121   25.939 -13.01762 31.72206 
1 1 1    8   40    5 o   60.520   26.467  105.746   75.984   0.0000   0.0000  105.746   75.984  ?   ?    60.520   26.467 0.000000 26.46738 
1 1 1    8   40    6 o   57.811   26.975   90.499   95.793   0.0000   0.0000   90.499   95.793  ?   ?    57.811   26.975 0.000000 26.97501 
1 1 1    8   40    7 o   69.172   18.810   82.541   33.350   82.490   37.644   82.729   71.905   66.963   20.548   59.445   25.878 7.517685 33.04410 
1 1 1    8   40    8 o   42.178   16.994   22.916   27.522   27.709   30.208  -0.4864   66.757   44.618   17.865   46.284   21.883 -1.665497 28.24940 
1 1 1    8   40    9 o   56.908   19.432   55.276   33.152   58.828   34.619   15.977  115.134   58.273   19.858   54.611   26.556 3.662472 33.15974 
1 1 1    8   40   10 o   58.111   18.639   55.850   30.641   62.763   34.881   32.482   64.129   60.517   19.922   52.260   23.497 8.257145 30.80557 
1 1 1    8   40   11 o   32.675   14.484  -0.2537   23.483  -3.7787   25.678   17.754   58.039   32.875   14.816   49.052   22.176 -16.17726 26.66996 
1 1 1    8   40   12 o   85.014   17.249  111.510   35.367  109.480   42.594  116.017   63.464   80.273   21.006   74.594   26.779 5.679008 34.03450 
1 1 1    8   40   13 o   89.436   17.238  122.236   37.104  129.590   45.765  108.131   63.382   88.065   21.089   72.890   26.676 15.17514 34.00488 
1 1 1    8   40   14 o   74.331   26.554  109.766   62.331   0.0000   0.0000  109.766   62.331  ?   ?    74.331   26.554 0.000000 26.55436 
1 1 1    8   40   15 o   40.566   16.526   16.263   26.353   18.406   30.401   9.7855   52.859   42.864   17.638   47.636   21.382 -4.771660 27.71775 
1 1 1    8   40   16 o   41.757   16.987   17.578   27.798   11.577   32.909   32.525   51.936   41.656   17.813   52.844   22.481 -11.18794 28.68287 
1 1 1    8   40   17 o  115.147   14.791  188.904   41.547  153.157   55.383  234.911   62.830   94.738   23.519  120.798   21.622 -26.05927 31.94809 
1 1 1    8   40   18 o  110.596   14.827  173.955   39.917  127.539   53.650  231.514   59.744   85.688   24.076  121.740   20.372 -36.05181 31.53827 
1 1 1    8   40   19 o   71.080   18.865   78.413   34.041   69.389   45.343   90.070   51.533   64.820   22.697   71.927   24.229 -7.107597 33.19921 
1 1 1    8   40   20 o   98.734   16.002  140.883   38.103   89.296   52.882  196.582   54.949   71.671   24.542  112.617   20.285 -40.94596 31.84044 
1 1 1    8   40   21 o   70.733   19.972   78.746   36.824   88.445   50.601   67.827   53.692   71.955   24.010   64.404   24.360 7.551079 34.20377 
1 1 1    8   40   22 o   68.044   27.506   79.334   72.363   0.0000   0.0000   79.334   72.363  ?   ?    68.044   27.506 0.000000 27.50595 
1 1 1    8   40   23 o   34.269   15.767 -14.0878   31.044   2.9971   44.899 -29.7358   42.969   44.775   19.929   37.451   17.661 7.324066 26.62875 
1 1 1    8   40   24 o   78.313   19.503   94.513   37.997   63.148   59.813  115.734   49.199   63.684   25.255   83.913   22.859 -20.22840 34.06362 
1 1 1    8   40   25 o   64.591   20.118   64.822   35.932   71.242   55.224   60.108   47.318   66.077   24.767   62.182   23.000 3.894341 33.79930 
1 1 1    8   40   26 o   67.596   20.163   71.256   36.611   62.108   55.263   78.412   48.875   63.267   24.515   68.962   23.594 -5.694603 34.02441 
1 1 1    8   40   27 o   40.542   17.277   8.7429   30.769   27.806   42.194 -12.9079   44.967   50.684   20.809   41.563   19.068 9.120804 28.22426 
1 1 1    8   40   28 o   33.911   15.608 -14.4598   30.463 -34.0287   39.959   12.696   47.072   35.324   16.768   47.996   20.915 -12.67137 26.80713 
1 1 1    8   40   29 o   56.477   25.977   6.9697   84.181   0.0000   0.0000   6.9697   84.181  ?   ?    56.477   25.977 0.000000 25.97693 
1 1 1    8   41    4 o   50.470   23.982   92.567   82.129   0.0000   0.0000   92.567   82.129  ?   ?    50.470   23.982 0.000000 23.98222 
1 1 1    8   41    5 o   30.083   14.069  -7.7974   26.300  -7.7974   26.300   0.0000   0.0000   30.083   14.069  ?   ?  0.000000 14.06924 
1 1 1    8   41    6 o   33.744   15.176   4.3394   26.777  -6.5620   28.871   71.392   71.603   31.878   14.852   51.794   23.873 -19.91666 28.11608 
1 1 1    8   41    7 o   50.685   24.348   54.658   89.708   0.0000   0.0000   54.658   89.708  ?   ?    50.685   24.348 0.000000 24.34842 
1 1 1    8   41    8 o   69.222   19.424   88.201   34.944   41.160   39.673  250.993   73.802   48.354   20.047  101.242   28.164 -52.88761 34.57031 
1 1 1    8   41    9 o   36.480   15.902   9.5388   27.229   11.730   29.986  -0.7589   65.007   38.140   16.655   44.274   21.121 -6.134068 26.89767 
1 1 1    8   41   10 f   58.889   19.105   61.798   32.121   36.147   36.400  152.062   68.281   47.742   19.432   77.060   27.765 -29.31827 33.88957 
1 1 1    8   41   11 f   39.499   16.738   15.465   28.597   10.625   29.785   72.536  102.277   38.332   16.671   57.451   27.140 -19.11900 31.85126 
1 1 1    8   41   12 o   22.699   11.135 -35.6047   21.564 -29.9354   23.187 -71.9127   58.678   24.857   12.048   36.177   17.866 -11.31975 21.54875 
1 1 1    8   41   13 o   43.213   17.298   24.269   28.315   12.003   31.970   68.906   60.986   40.041   17.343   59.133   24.713 -19.09289 30.19123 
1 1 1    8   41   14 f   59.501   19.009   59.324   31.893   48.949   37.788   85.012   59.462   54.186   20.451   64.242   25.274 -10.05529 32.51163 
1 1 1    8   41   15 o   68.108   28.660  110.554   82.905   0.0000   0.0000  110.554   82.905  ?   ?    68.108   28.660 0.000000 28.65992 
1 1 1    8   41   16 o  137.743   14.109  273.105   47.844  204.640   65.486  351.491   70.070  104.364   25.374  148.264   19.390 -43.90049 31.93414 
1 1 1    8   41   17 o   66.127   19.686   72.560   34.926   71.542   44.384   74.214   56.597   63.480   22.436   63.062   24.705 0.4184799 33.37225 
1 1 1    8   41   18 o   51.934   19.294   40.921   33.368   50.171   42.854   26.675   53.179   55.970   21.616   50.721   22.163 5.248787 30.95858 
1 1 1    8   41   19 o   59.881   20.930   59.426   38.551   48.077   45.794   87.035   71.427   55.689   22.094   66.441   27.152 -10.75171 35.00528 
1 1 1    8   41   20 o   78.085   19.402   97.697   37.665   97.900   51.914   97.471   54.731   73.012   24.317   72.146   24.954 0.8661575 34.84310 
1 1 1    8   41   21 o   70.026   20.730   81.282   38.808   93.218   54.865   69.331   54.902   70.909   24.958   63.035   24.432 7.874134 34.92568 
1 1 1    8   41   22 o   39.740   17.581   2.9818   34.432   25.668   48.690 -19.7128   48.699   50.300   21.592   40.873   19.125 9.427151 28.84368 
1 1 1    8   41   23 o   54.981   25.054   21.094   75.910   0.0000   0.0000   21.094   75.910  ?   ?    54.981   25.054 0.000000 25.05380 
1 1 1    8   41   24 o   62.005   20.888   62.495   38.301   73.700   57.923   53.789   51.058   64.843   25.106   58.731   23.320 6.111767 34.26518 
1 1 1    8   41   25 o   61.637   20.601   61.249   37.251   79.714   56.864   47.368   49.302   66.867   25.118   56.724   22.783 10.14287 33.91153 
1 1 1    8   41   26 o   80.082   20.094  102.539   40.118  101.706   61.496  103.156   52.932   73.423   26.360   75.866   24.516 -2.443085 35.99849 
1 1 1    8   41   27 f   64.966   21.617   69.816   41.028   65.006   51.258   78.393   68.446   62.456   23.759   66.143   26.746 -3.687675 35.77511 
1 1 1    8   41   28 o   60.313   24.074   57.853   54.678   0.0000   0.0000   57.853   54.678  ?   ?    60.313   24.074 0.000000 24.07415 
1 1 1    8   42    8 o   49.573   19.059   50.474   33.204   54.689   37.042   33.235   74.912   50.318   19.900   45.230   21.858 5.088570 29.55947 
1 1 1    8   42    9 o   50.016   23.557   64.196   76.024   0.0000   0.0000   64.196   76.024  ?   ?    50.016   23.557 0.000000 23.55749 
1 1 1    8   42   10 o   47.466   18.583   41.168   32.011   33.696   36.001   69.377   69.950   44.839   18.878   52.233   23.897 -7.393471 30.45424 
1 1 1    8   42   11 o   47.564   18.708   40.049   32.573   25.151   36.991   91.482   68.731   42.965   18.632   57.516   25.163 -14.55126 31.31002 
1 1 1    8   42   12 o   39.804   17.262   16.533   31.755   23.372   33.416 -47.1996  102.003   42.278   18.011   44.883   22.397 -2.604294 28.74016 
1 1 1    8   42   13 o   35.257   15.821   3.1494   28.916  -6.0130   32.506   37.885   63.293   34.516   15.971   49.712   22.739 -15.19544 27.78724 
1 1 1    8   42   14 o   55.813   19.790   56.845   34.559   39.273   40.974  100.157   64.328   48.969   20.343   63.604   25.854 -14.63405 32.89811 
1 1 1    8   42   15 o   39.286   17.149   11.868   31.763   5.6447   37.268   28.394   60.728   39.477   17.815   49.034   22.369 -9.556732 28.59661 
1 1 1    8   42   16 f   54.108   19.798   51.076   34.909   26.549   42.788   99.900   60.369   46.394   20.079   66.207   25.631 -19.81379 32.55976 
1 1 1    8   42   17 o   52.486   23.120   42.368   58.916   0.0000   0.0000   42.368   58.916  ?   ?    52.486   23.120 0.000000 23.12021 
1 1 1    8   42   18 o   80.228   19.839  109.773   39.523   97.437   52.804  125.488   59.599   68.853   24.457   76.110   26.054 -7.257401 35.73510 
1 1 1    8   42   19 f  138.617   14.771  283.869   50.341  148.280   71.934  414.008   70.474   78.878   28.486  162.401   17.662 -83.52240 33.51756 
1 1 1    8   42   20 o   37.282   17.310 -11.1647   38.675 -12.2101   46.584  -8.8459   69.380   40.103   18.745   46.820   22.188 -6.717251 29.04617 
1 1 1    8   42   21 o   51.548   20.341   41.034   38.626   38.544   54.868   43.481   54.385   52.602   22.752   53.722   22.934 -1.120754 32.30482 
1 1 1    8   42   22 o   36.162   16.825 -13.7713   36.840 -34.0015   51.920   6.7416   52.281   38.912   18.648   45.596   20.783 -6.683933 27.92263 
1 1 1    8   42   23 f   50.337   19.995   37.082   37.552   33.644   57.185   39.688   49.792   52.220   22.896   52.663   22.188 -0.4422264 31.88341 
1 1 1    8   42   24 o   59.023   26.550   56.619   81.987   0.0000   0.0000   56.619   81.987  ?   ?    59.023   26.550 0.000000 26.54972 
1 1 1    8   42   25 o   33.952   16.047 -23.5926   35.831 -35.5089   53.628 -13.9835   48.157   39.547   18.952   40.858   19.085 -1.310913 26.89673 
1 1 1    8   42   26 f   45.195   19.333   19.495   38.788   6.9416   58.754   29.193   51.641   47.647   21.837   50.616   21.983 -2.968674 30.98493 
1 1 1    8   42   27 o   52.094   22.795   31.958   56.432   0.0000   0.0000   31.958   56.432  ?   ?    52.094   22.795 0.000000 22.79510 
1 1 1    8   43   13 o   52.016   20.167   57.063   37.416   45.257   44.125   87.279   70.589   47.536   20.482   53.876   24.397 -6.339935 31.85500 
1 1 1    8   43   14 o   44.277   19.166   31.379   38.996   23.733   42.281   74.933  100.909   42.736   19.157   51.538   25.016 -8.801388 31.50831 
1 1 1    8   43   15 o   50.961   19.984   50.684   37.061   52.312   45.182   47.337   64.793   50.723   21.241   49.439   22.758 1.284142 31.13090 
1 1 1    8   43   16 o   49.926   19.939   46.517   37.529   54.591   46.625   31.661   63.247   51.873   21.638   47.537   22.093 4.336559 30.92376 
1 1 1    8   43   17 o   46.276   19.184   34.504   36.332   28.954   45.716   44.018   59.859   45.744   20.247   49.991   22.567 -4.246372 30.31878 
1 1 1    8   43   18 o   60.567   27.732  117.223   94.463   0.0000   0.0000  117.223   94.463  ?   ?    60.567   27.732 0.000000 27.73224 
1 1 1    8   43   19 o   48.887   20.176   39.909   39.927   55.898   54.717   21.699   58.393   53.429   22.911   46.792   21.564 6.637360 31.46312 
1 1 1    8   43   20 o   77.086   22.236  115.437   45.170  109.785   64.217  120.971   63.547   66.367   26.216   69.775   26.475 -3.407913 37.25877 
1 1 1    8   43   21 o   35.820   16.891 -15.5464   39.294 -27.2763   53.853  -2.1904   57.465   39.016   18.774   43.427   20.462 -4.410755 27.77004 
1 1 1    8   43   22 o   66.524   23.501   91.749   48.692   94.521   63.834   87.893   75.300   63.411   25.763   60.410   26.386 3.000145 36.87728 
1 1 1    8   43   23 o   42.586   18.942   13.752   40.497   29.191   60.626   1.3128   54.418   49.550   22.506   43.651   20.356 5.898132 30.34568 
1 1 1    8   43   24 o   43.607   19.148   17.760   40.128   45.394   60.561  -3.8686   53.577   52.841   23.350   42.742   20.018 10.09948 30.75640 
1 1 1    8   43   25 o   45.570   22.306 -39.0045   85.138   0.0000   0.0000 -39.0045   85.138  ?   ?    45.570   22.306 0.000000 22.30596 
1 1 1    8   43   26 o   41.534   19.690 -14.9258   54.727   0.0000   0.0000 -14.9258   54.727  ?   ?    41.534   19.690 0.000000 19.68956 
1 1 1    9  -33    0 o   52.510   23.017   33.433   57.753  112.839   99.089  -7.4199   71.073   68.120   29.996   48.212   22.729 19.90837 37.63497 
1 1 1    9  -33    1 o   51.075   22.766   29.839   58.819 -88.5390   98.771   94.886   73.216   45.576   22.626   65.293   27.165 -19.71670 35.35334 
1 1 1    9  -32    0 o   36.854   17.785 -49.1864   49.160   3.0604   84.318 -76.0927   60.509   54.192   25.293   38.279   18.751 15.91312 31.48612 
1 1 1    9  -32    1 o   43.039   19.910 -10.1149   50.488 -93.3883   87.857   30.944   61.691   44.630   22.007   53.829   23.687 -9.198357 32.33200 
1 1 1    9  -32    2 o   44.709   20.680  -5.0346   54.439 -18.9038   90.894   2.7233   67.980   51.193   24.570   49.383   22.936 1.810482 33.61158 
1 1 1    9  -32    3 o   39.410   18.961 -38.1944   54.898 -195.4001   95.771   38.742   66.998   39.241   19.854   54.313   24.247 -15.07282 31.33834 
1 1 1    9  -31    0 o   53.143   16.927   40.852   25.302   38.875   28.153   49.155   57.703   52.231   17.907   59.959   24.443 -7.728554 30.30033 
1 1 1    9  -31    1 o   48.440   21.361   11.554   50.421   63.764   87.066 -14.7919   61.848   65.307   28.452   47.104   21.877 18.20289 35.89064 
1 1 1    9  -31    2 o   60.522   25.777   52.662   68.423   0.0000   0.0000   52.662   68.423  ?   ?    60.522   25.777 0.000000 25.77735 
1 1 1    9  -31    3 o   71.801   30.452  112.717   94.787  112.717   94.787   0.0000   0.0000   71.801   30.452  ?   ?  0.000000 30.45217 
1 1 1    9  -31    4 o   57.614   23.832   52.282   55.887  190.920   92.332 -27.8805   70.210   87.792   32.186   46.081   21.974 41.71062 38.97195 
1 1 1    9  -30    0 o   77.921   15.244   84.952   28.599   64.962   33.217  142.230   56.228   66.359   19.047   94.989   23.763 -28.63039 30.45483 
1 1 1    9  -30    1 o  101.117   25.433  168.541   64.160   0.0000   0.0000  168.541   64.160  ?   ?   101.117   25.433 0.000000 25.43288 
1 1 1    9  -30    2 o   44.098   16.589   23.459   24.820   23.459   24.820   0.0000   0.0000   44.098   16.589  ?   ?  0.000000 16.58882 
1 1 1    9  -30    3 o   41.388   19.218 -19.4423   47.694 -16.9734   78.509 -20.8865   60.044   51.740   24.233   45.797   21.365 5.942265 32.30601 
1 1 1    9  -30    4 o   65.178   24.822   71.569   55.988   95.608   88.778   55.694   72.144   70.716   29.702   61.905   26.420 8.810913 39.75225 
1 1 1    9  -30    5 o   50.659   22.062   22.611   52.302   30.114   84.240   17.905   66.718   57.860   26.376   52.910   23.861 4.949661 35.56754 
1 1 1    9  -30    6 o   41.132   19.366 -22.5893   51.291   72.062   82.978 -81.1165   65.250   63.508   27.719   39.033   19.192 24.47546 33.71480 
1 1 1    9  -29    0 o   42.441   16.553   17.318   25.323   19.821   26.280 -15.1924   94.704   43.984   16.944   60.328   27.676 -16.34323 32.45060 
1 1 1    9  -29    1 o   22.644   10.743 -18.5737   16.357 -15.3802   17.162 -50.2376   54.040   24.278   11.358   40.768   19.396 -16.49059 22.47643 
1 1 1    9  -29    2 o   66.074   16.807   62.437   27.796   82.498   31.654  -5.1416   58.097   75.974   17.097   49.531   22.308 26.44307 28.10649 
1 1 1    9  -29    3 o   82.708   14.493   94.867   28.843   86.220   32.861  123.880   60.193   77.108   17.470   86.265   25.881 -9.156898 31.22578 
1 1 1    9  -29    4 o   93.672   13.964  121.196   31.666  115.225   36.593  138.995   63.181   89.298   17.031   89.828   26.411 -0.5293121 31.42608 
1 1 1    9  -29    5 o   54.839   22.569   35.792   49.782   26.279   78.991   42.061   64.119   58.567   26.223   59.053   25.046 -0.4862709 36.26229 
1 1 1    9  -29    6 o   78.545   25.141  109.233   55.768   53.881   83.958  152.938   74.603   62.986   27.677   88.064   29.143 -25.07792 40.19053 
1 1 1    9  -29    7 o   47.460   21.070   10.744   49.868 -18.5440   78.341   30.696   64.660   50.296   23.758   55.097   24.247 -4.801445 33.94626 
1 1 1    9  -29    8 o   50.115   21.835   23.489   51.286 -12.6559   77.208   52.032   68.610   49.986   23.603   59.040   25.490 -9.054504 34.73941 
1 1 1    9  -28    0 o   27.138   12.425 -11.8752   18.958  -6.3081   20.687 -41.0626   47.368   30.393   13.528   39.709   18.669 -9.316069 23.05517 
1 1 1    9  -28    1 o   71.699   16.502   71.151   28.934   86.223   32.868   19.264   60.985   78.803   17.187   57.419   24.393 21.38392 29.83950 
1 1 1    9  -28    2 o   97.749   16.930  131.953   39.828  130.333   43.099  141.428  104.227   96.216   18.611   91.435   34.073 4.780602 38.82430 
1 1 1    9  -28    3 o   55.523   16.597   42.832   24.788   49.690   27.881   16.965   54.147   59.409   17.566   53.655   22.894 5.753937 28.85658 
1 1 1    9  -28    4 f   53.491   16.491   39.833   24.213   46.127   26.996   13.937   54.757   57.129   17.376   52.595   22.739 4.533466 28.61803 
1 1 1    9  -28    5 o   23.654   11.017 -12.9875   15.862 -13.9584   16.638  -3.2919   52.576   24.095   11.242   47.526   21.329 -23.43172 24.11055 
1 1 1    9  -28    6 o   40.295   18.686 -21.5725   44.858   55.241   70.490 -73.8511   58.153   64.165   26.671   38.730   18.843 25.43465 32.65618 
1 1 1    9  -28    7 o   40.744   18.924 -20.6908   46.283 -20.9244   69.846 -20.5080   61.799   49.182   22.977   46.713   21.753 2.468460 31.64066 
1 1 1    9  -28    8 o   51.414   21.713   26.745   47.865   87.657   71.191 -23.5036   64.661   69.861   27.601   46.637   21.890 23.22414 35.22733 
1 1 1    9  -28    9 o   60.377   23.728   57.877   52.357   71.463   78.120   46.798   70.546   64.940   27.598   59.319   25.728 5.621059 37.73041 
1 1 1    9  -28   10 o   31.977   15.808 -78.3323   46.349 -110.3659   70.260 -53.6523   61.671   38.299   19.025   40.767   19.733 -2.467903 27.41071 
1 1 1    9  -27    0 o   42.893   16.730   16.116   25.868   16.116   25.868   0.0000   0.0000   42.893   16.730  ?   ?  0.000000 16.72989 
1 1 1    9  -27    1 o  121.013   11.506  189.272   34.351  171.603   42.466  222.718   58.425  113.686   15.351  127.983   18.845 -14.29755 24.30610 
1 1 1    9  -27    2 o  108.286   12.251  153.032   32.545  128.750   39.128  207.544   58.626   97.435   16.681  122.489   19.845 -25.05407 25.92510 
1 1 1    9  -27    3 o   84.303   15.099   96.120   30.619  109.076   35.623   59.470   59.914   89.283   16.588   68.239   25.752 21.04375 30.63200 
1 1 1    9  -27    4 o   58.739   17.978   47.710   28.838   43.244   30.083   98.328  101.282   56.526   18.496   82.156   32.774 -25.63007 37.63295 
1 1 1    9  -27    5 o  106.056   12.566  149.088   32.632  131.544   38.464  194.141   61.638   97.636   16.354  114.836   22.298 -17.20009 27.65250 
1 1 1    9  -27    6 o   89.772   14.538  110.204   31.476  110.597   36.659  109.101   61.406   88.471   17.213   82.367   26.383 6.103821 31.50158 
1 1 1    9  -27    7 o   24.776   11.388 -10.2999   16.142 -11.2864   16.947  -0.6534   52.997   25.200   11.615   48.309   21.566 -23.10920 24.49464 
1 1 1    9  -27    8 o   66.526   23.513   68.881   48.746  115.339   72.242   30.048   66.047   80.438   28.603   57.904   25.004 22.53440 37.99131 
1 1 1    9  -27    9 o   37.638   17.735 -30.3409   43.167 -46.9821   62.905 -15.5290   59.347   43.422   20.732   46.719   21.604 -3.296741 29.94226 
1 1 1    9  -27   10 f   50.260   21.500   22.115   47.980  -9.2692   70.781   48.797   65.264   50.497   23.436   60.091   25.365 -9.594021 34.53425 
1 1 1    9  -27   11 o   54.363   22.494   38.231   49.814   82.506   75.008   3.2949   66.629   67.327   27.705   50.678   23.236 16.64825 36.15908 
1 1 1    9  -26    0 o   62.568   23.158   44.334   47.983  100.534   76.880   8.4731   61.413   85.904   29.583   57.074   24.368 28.82967 38.32692 
1 1 1    9  -26    1 o  194.838   10.723  484.000   51.972  446.153   69.487  532.054   78.299  185.136   15.163  202.012   15.643 -16.87560 21.78609 
1 1 1    9  -26    2 o  240.844   11.470  740.808   68.986  742.862   93.774  738.385  101.848  238.317   15.847  236.529   17.365 1.787903 23.50890 
1 1 1    9  -26    3 o   82.794   14.645   91.435   29.171  107.853   34.512   50.363   54.588   89.585   16.015   65.453   24.606 24.13183 29.35853 
1 1 1    9  -26    4 o   54.117   16.649   39.096   24.695   46.034   27.943   14.351   52.771   58.330   17.664   54.051   22.812 4.278793 28.85116 
1 1 1    9  -26    5 o  284.130   15.728  1070.87  111.162  859.413  141.111  1416.70  180.463  246.118   23.235  316.726   22.973 -70.60844 32.67422 
1 1 1    9  -26    6 o   84.198   15.154   96.378   30.690  111.534   35.923   55.421   59.052   90.058   16.584   66.351   25.439 23.70674 30.36763 
1 1 1    9  -26    7 f   40.561   15.049   18.203   20.288   14.022   21.913   43.299   53.687   39.229   15.371   60.929   24.001 -21.70023 28.50135 
1 1 1    9  -26    8 o   40.016   14.849   17.971   19.754   11.442   21.302   58.043   52.775   37.505   15.007   64.683   24.218 -27.17873 28.49037 
1 1 1    9  -26    9 o   58.942   16.537   49.636   25.330   47.787   28.061   57.774   58.870   57.747   17.744   64.475   25.213 -6.728054 30.83097 
1 1 1    9  -26   10 o   54.145   21.892   33.649   45.851   44.572   67.124   24.094   62.780   61.312   25.794   55.875   24.252 5.437431 35.40457 
1 1 1    9  -26   11 o   63.976   23.448   64.203   48.996   53.904   70.053   74.066   68.553   62.803   26.382   67.560   26.959 -4.756199 37.72034 
1 1 1    9  -26   12 o   60.399   23.267   55.977   49.557  146.772   74.196 -17.1545   66.589   86.526   29.073   48.151   22.475 38.37569 36.74733 
1 1 1    9  -26   13 o   45.232   20.256   4.3726   47.152   0.3847   69.289   7.8122   64.351   50.798   23.438   50.820   23.123 -0.2235794E-01 32.92448 
1 1 1    9  -25    0 o  156.850   10.848  313.048   42.230  309.528   56.962  317.345   62.927  154.681   14.932  156.093   16.388 -1.412613 22.17106 
1 1 1    9  -25    1 o  319.081   12.647  1297.84  100.769  1316.44  140.874  1278.35  144.202  317.725   17.827  312.527   18.560 5.197418 25.73513 
1 1 1    9  -25    2 o  145.799   17.574  280.334   62.696  331.235   93.586  238.888   84.447  154.722   25.080  129.984   26.903 24.73795 36.78004 
1 1 1    9  -25    3 o  127.841   11.624  209.865   36.704  228.009   46.305  179.196   60.203  132.416   14.227  114.120   21.922 18.29636 26.13383 
1 1 1    9  -25    4 o   94.986   13.763  118.379   31.695  141.829   38.432   68.519   56.041  103.579   15.321   72.392   25.239 31.18623 29.52511 
1 1 1    9  -25    5 o  186.497   11.432  446.452   52.985  474.380   69.922  408.790   81.199  190.534   14.812  174.349   18.956 16.18568 24.05655 
1 1 1    9  -25    6 o  132.982   11.763  228.849   38.659  225.524   47.737  235.185   65.895  130.648   14.898  130.136   20.991 0.5122223 25.74092 
1 1 1    9  -25    7 o   55.609   17.505   41.546   27.123   29.392   28.130  202.361  102.322   49.589   17.826  110.521   33.871 -60.93217 38.27512 
1 1 1    9  -25    8 o   87.484   13.863  102.568   29.276   89.252   33.669  143.838   59.274   80.039   17.346   98.045   24.326 -18.00643 29.87692 
1 1 1    9  -25    9 o   69.517   16.078   67.397   27.355   74.781   31.073   41.965   57.669   72.783   17.343   61.445   24.654 11.33735 30.14333 
1 1 1    9  -25   10 o   32.281   13.503   4.3180   18.230   11.609   19.378 -51.8044   53.763   36.482   14.404   40.317   19.227 -3.834896 24.02366 
1 1 1    9  -25   11 o   41.634   15.302   20.512   20.889   20.904   22.709   18.355   53.259   42.527   15.893   52.628   22.587 -10.10152 27.61793 
1 1 1    9  -25   12 o   49.745   20.826   21.411   43.420   62.086   64.848 -11.6420   58.458   65.200   26.150   47.565   21.793 17.63519 34.04022 
1 1 1    9  -25   13 o   45.174   20.044   3.4678   45.072   17.645   66.175  -8.8001   61.559   54.469   24.222   48.474   22.266 5.995258 32.90066 
1 1 1    9  -25   14 o   31.737   15.652 -76.3640   44.515 -50.9263   65.764 -97.8752   60.476   43.371   20.838   36.562   18.071 6.809101 27.58278 
1 1 1    9  -25   15 o   38.438   18.180 -29.2900   46.143   30.395   67.742 -80.9536   63.026   55.453   24.590   38.707   18.997 16.74569 31.07357 
1 1 1    9  -24    0 o  119.249   11.559  181.742   33.990  242.434   46.145  109.754   50.256  137.327   13.636   89.633   22.490 47.69415 26.30082 
1 1 1    9  -24    1 o  336.350   13.279  1440.87  111.535  1583.68  157.012  1295.40  158.465  349.308   18.062  314.259   20.301 35.04861 27.17301 
1 1 1    9  -24    2 o  151.067   10.180  289.728   38.179  256.166   50.325  335.238   58.601  140.781   14.524  161.163   14.724 -20.38219 20.68132 
1 1 1    9  -24    3 o  135.508   11.008  234.259   36.926  255.414   48.101  203.901   57.623  140.683   13.873  123.639   19.293 17.04321 23.76284 
1 1 1    9  -24    4 o   52.991   21.247   21.103   42.794  -4.9203   63.680   42.534   57.788   55.245   24.193   64.962   25.097 -9.717590 34.85957 
1 1 1    9  -24    5 o  102.656   12.545  136.506   31.489  141.325   38.564  126.865   54.547  103.578   15.376   95.309   23.149 8.269989 27.79031 
1 1 1    9  -24    6 o  235.703   10.921  707.297   64.283  685.609   85.744  735.131   97.137  229.656   15.034  236.876   16.525 -7.219971 22.34066 
1 1 1    9  -24    7 o   55.823   15.777   41.862   22.969   36.241   25.725   63.956   51.001   52.887   17.091   69.632   24.089 -16.74530 29.53586 
1 1 1    9  -24    8 o  124.557   11.934  201.153   36.667  192.658   44.659  218.725   64.232  120.531   15.174  125.252   21.298 -4.721230 26.15077 
1 1 1    9  -24    9 o   70.994   17.304   69.885   30.399   52.617   31.502  303.603  115.891   61.811   18.763  135.802   34.195 -73.99092 39.00463 
1 1 1    9  -24   10 o   66.150   15.222   60.160   24.622   62.170   27.384   51.676   56.261   66.872   16.500   64.657   24.821 2.214378 29.80477 
1 1 1    9  -24   11 o   34.273   13.972   7.4431   18.855   18.983   20.183 -71.6938   52.854   40.914   15.041   37.580   18.209 3.334587 23.61754 
1 1 1    9  -24   12 o   72.382   15.842   73.573   27.840   84.653   31.442   33.366   59.897   77.304   16.770   58.768   24.520 18.53568 29.70638 
1 1 1    9  -24   13 o   66.984   23.316   68.486   47.817   85.147   67.806   52.003   67.443   72.721   27.407   63.863   26.274 8.858669 37.96653 
1 1 1    9  -24   14 o   74.821   23.745   91.308   49.827  143.307   73.421   46.911   67.842   88.486   28.893   61.649   25.933 26.83695 38.82426 
1 1 1    9  -24   15 o   39.403   18.307 -20.3833   43.376  -7.8803   61.604 -32.6766   61.085   48.528   22.284   44.529   21.017 3.998913 30.63136 
1 1 1    9  -24   16 o   60.617   23.271   57.483   49.456   55.731   70.418   59.188   69.474   61.824   26.236   62.512   26.267 -0.6881523 37.12488 
1 1 1    9  -23    0 o  290.750   16.226  1085.83  117.339  1094.90  163.306  1076.17  168.710  288.049   22.892  284.851   23.940 3.198151 33.12318 
1 1 1    9  -23    1 f  183.730   10.314  427.349   47.130  427.687   65.418  426.985   67.960  182.605   14.464  182.249   15.068 0.3562012 20.88671 
1 1 1    9  -23    2 o  139.249   11.121  246.786   38.347  302.826   51.792  178.788   57.051  153.653   13.640  115.595   20.515 38.05803 24.63573 
1 1 1    9  -23    3 o  178.751   10.447  405.121   46.429  423.675   63.359  383.603   68.234  181.706   14.073  172.143   16.058 9.562561 21.35236 
1 1 1    9  -23    4 o   80.727   14.087   85.508   27.365   95.049   33.988   67.925   46.142   84.519   16.696   71.795   22.857 12.72456 28.30511 
1 1 1    9  -23    5 o  181.474   10.409  418.069   46.976  422.323   61.882  412.285   72.164  181.293   13.772  178.065   16.414 3.227432 21.42605 
1 1 1    9  -23    6 o  235.256   16.029  717.895   93.604  856.279  134.694  588.642  130.175  253.370   21.491  206.927   25.749 46.44289 33.53892 
1 1 1    9  -23    7 o   92.211   13.725  111.276   30.642  136.943   36.820   53.459   55.263  102.113   14.877   67.520   24.878 34.59264 28.98709 
1 1 1    9  -23    8 o  101.085   12.058  132.332   29.837  117.309   35.263  170.197   55.983   93.975   15.572  111.345   20.902 -17.36941 26.06462 
1 1 1    9  -23    9 o  214.058   11.101  586.712   59.137  578.015   77.332  598.962   91.774  210.441   14.810  212.479   17.450 -2.038177 22.88779 
1 1 1    9  -23   10 o  166.905   11.653  359.451   48.264  381.591   60.646  321.204   79.709  170.584   14.371  151.959   21.615 18.62547 25.95580 
1 1 1    9  -23   11 o   68.353   17.450   64.945   29.888   55.671   30.906  198.690  117.375   63.336   18.429  107.201   36.564 -43.86496 40.94606 
1 1 1    9  -23   12 o   99.669   13.435  132.260   32.586  150.892   38.514   85.320   61.132  105.796   14.998   75.968   26.367 29.82874 30.33451 
1 1 1    9  -23   13 o   87.235   13.401  102.419   28.260   96.406   32.171  122.734   59.135   83.347   16.039   88.539   25.414 -5.191849 30.05228 
1 1 1    9  -23   14 o   66.405   15.795   62.255   25.811   65.057   28.617   50.033   59.774   67.407   17.002   62.876   25.146 4.530701 30.35435 
1 1 1    9  -23   15 o   61.160   22.581   53.781   45.569   57.743   65.076   49.969   63.831   64.685   26.107   62.521   25.623 2.163925 36.57977 
1 1 1    9  -23   16 o   98.468   22.639  154.011   54.503  207.043   77.934  103.243   76.253  107.592   28.538   75.747   28.939 31.84557 40.64389 
1 1 1    9  -23   17 o   39.172   18.288 -23.0693   44.125   14.571   63.343 -58.5546   61.503   52.870   23.591   41.222   19.893 11.64812 30.85869 
1 1 1    9  -23   18 o   44.881   19.993   4.9805   45.288 -96.9957   65.376   99.067   62.796   38.266   18.890   72.975   26.575 -34.70908 32.60505 
1 1 1    9  -22    0 o  135.876   10.300  234.011   34.690  284.210   48.929  183.277   49.189  149.134   13.277  118.483   17.122 30.65038 21.66646 
1 1 1    9  -22    1 o  225.326   10.877  640.899   61.202  707.332   86.420  574.057   86.685  235.201   14.789  211.145   16.574 24.05569 22.21265 
1 1 1    9  -22    2 o  203.386   13.891  528.374   70.127  522.489   94.687  535.525  104.368  200.236   19.171  201.910   21.007 -1.673218 28.43955 
1 1 1    9  -22    3 o   98.326   11.802  124.069   28.400  150.731   37.116   86.413   44.110  107.945   14.107   79.971   21.586 27.97430 25.78629 
1 1 1    9  -22    4 o  128.195   10.682  209.024   33.886  201.257   44.845  219.361   51.733  124.764   14.674  129.820   16.319 -5.055931 21.94589 
1 1 1    9  -22    5 o  186.277   10.738  440.131   49.736  515.430   67.996  353.487   72.940  200.700   13.648  164.464   18.057 36.23679 22.63479 
1 1 1    9  -22    6 f   74.250   14.089   72.601   25.167   71.699   29.921   74.784   46.532   73.215   16.731   74.727   22.831 -1.511520 28.30520 
1 1 1    9  -22    7 o  134.516   10.909  230.689   36.328  210.326   45.986  264.494   59.251  127.310   14.737  142.113   17.036 -14.80373 22.52554 
1 1 1    9  -22    8 o   73.328   22.060   72.739   43.687  117.449   60.988   25.622   62.608   91.526   25.653   61.886   25.371 29.63927 36.07999 
1 1 1    9  -22    9 o  178.118   11.225  405.028   49.672  465.540   64.714  318.255   77.495  190.003   13.732  153.730   20.714 36.27296 24.85205 
1 1 1    9  -22   10 o  137.725   11.477  243.587   39.113  243.232   48.369  244.256   66.484  136.556   14.401  134.033   20.516 2.522354 25.06621 
1 1 1    9  -22   11 o   88.041   14.020  102.583   29.790  109.911   34.710   82.093   58.042   90.503   15.941   76.902   25.715 13.60101 30.25481 
1 1 1    9  -22   12 o   76.497   17.718   80.853   33.182   82.171   34.580   65.547  117.864   76.946   18.269   80.657   34.069 -3.710678 38.65800 
1 1 1    9  -22   13 o   80.577   15.052   88.027   29.173   97.671   33.332   56.454   60.311   84.411   16.404   67.306   25.732 17.10555 30.51584 
1 1 1    9  -22   14 o  131.319   13.016  227.855   42.120  293.022   51.097   89.707   74.397  148.476   13.945   77.604   28.813 70.87171 32.01011 
1 1 1    9  -22   15 o   52.191   16.028   37.514   22.900   43.058   25.014   8.8146   56.914   55.539   16.689   52.466   22.927 3.072277 28.35782 
1 1 1    9  -22   16 o   42.835   14.959   23.261   19.690   16.660   21.022   70.460   56.209   39.720   15.190   68.310   25.102 -28.58997 29.34061 
1 1 1    9  -22   17 o   59.308   22.438   49.284   45.558   69.676   64.718   29.253   64.144   67.472   26.422   57.391   24.712 10.08123 36.17707 
1 1 1    9  -22   18 o   45.421   19.920   6.8263   43.309 -36.0680   62.454   46.559   60.109   44.759   21.164   59.828   24.729 -15.06938 32.54865 
1 1 1    9  -22   19 o   48.046   20.911   14.475   46.923   4.9984   66.138   24.079   66.582   51.580   23.458   55.141   24.419 -3.561710 33.86110 
1 1 1    9  -21    0 o  122.550   9.7038  190.143   29.454  176.535   41.242  204.309   42.078  117.063   14.413  126.264   13.558 -9.200783 19.78708 
1 1 1    9  -21    1 o  170.147   10.079  365.863   42.634  437.111   60.198  294.160   60.389  185.304   13.093  150.969   16.276 34.33501 20.88871 
1 1 1    9  -21    2 o  192.971   9.8694  470.147   47.400  501.208   66.236  437.544   67.860  198.339   13.453  184.850   14.826 13.48834 20.01945 
1 1 1    9  -21    3 o  360.487   18.841  1679.31  169.019  1781.73  236.883  1573.09  241.234  365.771   26.106  341.523   28.548 24.24768 38.68427 
1 1 1    9  -21    4 o  196.621   14.264  494.434   69.558  541.395   93.581  436.456  103.980  204.167   18.557  180.990   23.565 23.17674 29.99475 
1 1 1    9  -21    5 o  256.014   11.154  828.428   71.310  885.970   99.400  767.410  102.359  262.984   15.201  243.960   16.906 19.02449 22.73488 
1 1 1    9  -21    6 o  114.490   10.751  167.023   30.377  183.484   39.096  141.943   48.257  119.431   13.337  103.102   19.456 16.32897 23.58837 
1 1 1    9  -21    7 o   90.242   12.331  105.171   27.060  109.384   32.764   96.131   47.994   91.417   14.863   83.987   22.452 7.430222 26.92543 
1 1 1    9  -21    8 f  232.051   11.147  681.960   64.592  743.274   87.829  609.734   95.325  240.599   14.689  216.421   17.796 24.17807 23.07490 
1 1 1    9  -21    9 o   48.432   19.852   12.909   38.327  -5.3786   55.064   30.095   53.380   51.584   22.546   60.055   23.845 -8.470974 32.81595 
1 1 1    9  -21   10 o  142.124   10.955  257.748   38.580  258.012   47.810  257.254   65.321  141.347   13.718  138.934   19.353 2.412827 23.72163 
1 1 1    9  -21   11 o   99.861   13.593  130.115   33.016  179.529   39.713   19.533   59.409  117.500   13.797   58.885   24.482 58.61497 28.10187 
1 1 1    9  -21   12 o  258.765   11.765  855.969   76.020  901.208  101.294  797.630  115.029  262.877   15.499  244.680   18.974 18.19650 24.50000 
1 1 1    9  -21   13 o  206.820   11.357  549.264   58.433  611.743   75.340  454.942   92.568  216.776   13.992  182.427   20.686 34.34845 24.97363 
1 1 1    9  -21   14 f  133.404   15.626  237.257   51.070  218.835   55.088  349.913  136.225  126.844   17.888  142.994   37.636 -16.14984 41.67107 
1 1 1    9  -21   15 o  168.066   11.551  366.762   48.186  370.938   59.580  358.867   81.929  167.275   14.404  159.444   21.095 7.830170 25.54317 
1 1 1    9  -21   16 o   75.109   14.866   77.428   26.896   76.862   30.073   79.690   60.123   74.067   16.662   73.308   26.091 0.7587051 30.95799 
1 1 1    9  -21   17 f   56.248   15.845   44.417   23.206   48.825   25.496   23.132   56.023   58.728   16.631   55.207   23.413 3.520947 28.71832 
1 1 1    9  -21   18 o   51.288   20.864   26.559   41.931   18.843   60.155   33.851   58.479   54.624   23.724   57.690   24.162 -3.066166 33.86258 
1 1 1    9  -21   19 o   60.886   23.134   53.661   48.558   85.425   68.473   21.524   68.872   71.528   27.401   56.557   24.951 14.97058 37.05868 
1 1 1    9  -21   20 o   62.578   26.197   54.794   68.694   54.794   68.694   0.0000   0.0000   62.578   26.197  ?   ?  0.000000 26.19700 
1 1 1    9  -21   21 f   40.115   18.740 -21.7028   46.455   20.197   66.695 -61.1856   64.743   53.996   24.142   41.685   20.187 12.31020 31.47006 
1 1 1    9  -20    0 o  320.891   11.846  1299.52   94.928  1535.68  134.994  1068.51  133.516  347.495   15.557  288.163   18.654 59.33212 24.28978 
1 1 1    9  -20    1 o  298.769   11.479  1126.17   85.642  1139.11  121.156  1113.24  121.077  298.495   16.316  294.998   16.502 3.497559 23.20595 
1 1 1    9  -20    2 o  148.385   9.5416  278.086   35.168  277.746   49.384  278.437   50.095  147.443   13.565  147.583   13.751 -0.1391754 19.31554 
1 1 1    9  -20    3 o  119.021   9.7446  179.461   28.709  145.869   38.788  220.158   42.693  106.077   15.066  131.187   13.212 -25.10976 20.03867 
1 1 1    9  -20    4 o  129.001   10.437  211.089   33.335  247.640   45.496  168.723   48.982  139.167   13.251  113.410   17.888 25.75713 22.26184 
1 1 1    9  -20    5 o  329.604   17.545  1397.79  143.894  1423.34  200.465  1370.63  206.670  327.965   24.658  320.786   26.024 7.179199 35.85016 
1 1 1    9  -20    6 o  166.132   10.213  349.254   42.166  374.905   57.443  319.284   62.089  171.307   13.538  157.269   16.034 14.03722 20.98516 
1 1 1    9  -20    7 o  200.848   10.443  510.389   52.196  552.133   71.419  462.531   76.471  207.912   13.835  189.363   16.331 18.54854 21.40344 
1 1 1    9  -20    8 o  119.164   11.221  181.117   32.998  201.571   41.702  146.863   53.966  125.191   13.556  104.306   21.435 20.88559 25.36190 
1 1 1    9  -20    9 o   64.272   15.013   54.880   23.661   60.727   27.528   38.348   46.290   67.448   16.484   60.540   22.678 6.908146 28.03589 
1 1 1    9  -20   10 o  166.097   10.224  349.893   42.199  323.555   54.097  390.833   67.445  158.684   13.789  173.815   15.708 -15.13074 20.90167 
1 1 1    9  -20   11 f   31.847   15.229 -44.8202   34.216 -23.8994   48.711 -65.1965   48.073   44.487   20.194   37.198   17.857 7.289345 26.95671 
1 1 1    9  -20   12 o   58.811   15.590   46.219   23.266   51.143   26.181   27.721   50.744   61.763   16.612   58.149   23.198 3.614796 28.53255 
1 1 1    9  -20   13 o   90.634   13.235  107.387   29.071  125.473   34.102   59.296   55.609   97.729   14.406   69.368   25.047 28.36086 28.89428 
1 1 1    9  -20   14 o  158.437   11.083  321.841   43.575  340.775   54.030  286.611   73.700  162.062   13.473  144.706   21.009 17.35532 24.95822 
1 1 1    9  -20   15 o   16.913   8.2878 -23.0355   11.847 -21.4828   12.196 -49.0046   49.876   17.676   8.6065   39.951   18.897 -22.27425 20.76476 
1 1 1    9  -20   16 o   80.071   17.520   88.881   34.059   85.303   35.139  144.408  138.431   78.105   18.331   95.033   38.174 -16.92829 42.34731 
1 1 1    9  -20   17 o   95.851   12.753  121.815   29.769   99.182   33.944  197.216   61.955   84.641   16.653  116.546   22.096 -31.90511 27.66866 
1 1 1    9  -20   18 o   39.604   14.955   16.687   20.215   22.468   21.652 -22.5959   56.444   43.300   15.630   46.224   21.265 -2.923584 26.39095 
1 1 1    9  -20   19 o   40.990   19.514 -48.7571   54.877   0.0000   0.0000 -48.7571   54.877  ?   ?    40.990   19.514 0.000000 19.51360 
1 1 1    9  -20   20 o   58.590   24.842   34.986   63.052   34.986   63.052   0.0000   0.0000   58.590   24.842  ?   ?  0.000000 24.84234 
1 1 1    9  -20   21 o   36.639   17.280 -30.8765   41.153 -22.7333   58.034 -39.1130   58.365   45.256   21.076   42.930   20.346 2.325932 29.29471 
1 1 1    9  -20   22 o   52.874   21.988   31.503   47.937   56.070   67.226   6.0897   68.374   62.165   25.960   52.423   23.845 9.742573 35.24975 
1 1 1    9  -20   23 o   54.977   24.706   24.684   70.790   0.0000   0.0000   24.684   70.790  ?   ?    54.977   24.706 0.000000 24.70553 
1 1 1    9  -19    0 o  148.177   9.3252  276.880   34.330  334.742   49.250  222.196   47.878  162.445   12.231  131.602   14.827 30.84311 19.22061 
1 1 1    9  -19    1 o  223.168   14.606  634.028   80.950  665.866  116.527  604.333  112.537  226.529   20.833  215.592   21.176 10.93742 29.70594 
1 1 1    9  -19    2 o  238.722   10.281  717.212   61.290  798.106   86.826  636.873   86.529  250.630   13.928  223.291   15.616 27.33920 20.92510 
1 1 1    9  -19    3 o   90.409   10.757  104.391   23.809   98.438   32.422  111.357   35.076   86.733   15.540   92.324   15.781 -5.591728 22.14806 
1 1 1    9  -19    4 o  222.003   10.194  620.554   56.514  649.779   79.175  590.197   80.693  225.892   14.106  214.927   15.131 10.96469 20.68676 
1 1 1    9  -19    5 o  171.437   10.119  371.374   43.130  485.836   60.080  249.670   61.952  195.634   12.362  138.355   18.386 57.27814 22.15560 
1 1 1    9  -19    6 o  245.501   10.181  759.291   62.413  727.546   86.817  793.246   89.789  238.764   14.631  249.403   14.479 -10.63896 20.58452 
1 1 1    9  -19    7 o  200.961   13.604  514.837   67.867  488.142   90.499  549.142  102.591  193.798   18.942  205.071   20.300 -11.27257 27.76517 
1 1 1    9  -19    8 o  154.903   10.275  303.837   39.519  336.591   53.149  263.339   59.099  162.356   13.224  142.409   16.952 19.94749 21.49974 
1 1 1    9  -19    9 o   70.442   13.953   65.243   23.677   85.022   28.244   18.486   43.426   80.516   14.584   52.894   21.334 27.62186 25.84267 
1 1 1    9  -19   10 o  318.180   11.468  1281.17   91.123  1209.41  125.720  1360.59  132.263  306.563   16.483  325.704   16.262 -19.14081 23.15436 
1 1 1    9  -19   11 o  175.100   10.978  389.300   47.761  459.935   63.098  294.534   73.085  189.633   13.411  149.169   20.135 40.46443 24.19213 
1 1 1    9  -19   12 o   83.282   13.210   90.401   26.557   95.927   31.164   75.745   50.749   85.327   15.182   75.487   23.964 9.839622 28.36895 
1 1 1    9  -19   13 o  151.677   15.759  299.272   58.819  335.785   82.981  262.402   83.386  158.137   21.576  137.779   25.163 20.35840 33.14693 
1 1 1    9  -19   14 o   97.316   12.323  122.619   29.276  132.705   34.455   96.426   55.524  100.776   14.076   83.284   24.828 17.49233 28.54024 
1 1 1    9  -19   15 o   75.517   13.932   75.609   25.305   66.897   28.534  107.701   54.764   70.292   16.533   87.225   24.260 -16.93383 29.35781 
1 1 1    9  -19   16 o  109.844   12.433  156.930   33.502  183.601   39.572   89.441   62.950  118.463   13.625   79.756   26.779 38.70705 30.04623 
1 1 1    9  -19   17 o   72.359   18.092   72.760   32.604   80.239   33.561 -52.8186  137.519   76.054   17.959   68.814   32.179 7.239548 36.85118 
1 1 1    9  -19   18 o   59.137   16.232   48.251   24.698   63.287   27.367 -17.7575   57.340   67.579   16.386   48.261   21.908 19.31793 27.35797 
1 1 1    9  -19   19 o   62.309   16.133   54.269   25.299   52.564   27.331   64.472   66.860   61.142   17.186   69.342   26.938 -8.199795 31.95309 
1 1 1    9  -19   20 o   48.483   15.842   31.632   22.070   32.982   23.759   23.133   59.612   49.534   16.449   56.257   24.013 -6.722332 29.10630 
1 1 1    9  -19   21 o   56.779   21.884   41.548   43.857   54.330   59.830   26.704   64.476   63.400   25.222   57.495   24.766 5.905010 35.34830 
1 1 1    9  -19   22 o   61.485   22.645   55.864   45.779   68.301   63.101   42.045   66.515   66.685   26.096   60.464   25.569 6.220848 36.53479 
1 1 1    9  -19   23 o   69.246   23.710   79.056   49.356   74.491   68.435   84.004   71.250   67.422   26.926   69.940   27.618 -2.518204 38.57174 
1 1 1    9  -19   24 o  115.605   22.253  216.097   61.909  262.794   86.471  166.989   88.675  117.081   29.569   87.213   31.608 29.86747 43.28208 
1 1 1    9  -18    0 o  455.469   14.725  2625.26  167.477  2895.19  237.513  2358.32  236.190  475.641   19.997  427.559   22.198 48.08255 29.87656 
1 1 1    9  -18    1 o  624.980   19.943  5003.97  311.251  5198.17  440.618  4810.55  439.735  629.240   28.041  604.135   29.148 25.10474 40.44625 
1 1 1    9  -18    2 o  389.059   13.341  1912.97  129.618  1846.30  183.346  1979.59  183.269  379.216   19.427  393.523   18.650 -14.30734 26.92946 
1 1 1    9  -18    3 o  389.509   19.625  1950.86  190.274  1954.34  269.581  1947.41  268.598  383.934   28.318  383.294   28.261 0.6400452 40.00754 
1 1 1    9  -18    4 o  350.291   12.349  1549.44  108.023  1562.80  152.548  1536.01  152.987  349.843   17.462  346.284   17.751 3.559296 24.90025 
1 1 1    9  -18    5 o  171.673   9.4418  371.612   40.321  385.949   56.095  356.285   57.998  174.218   12.987  167.094   14.030 7.123611 19.11789 
1 1 1    9  -18    6 o  193.370   9.5280  470.279   46.009  498.883   64.047  439.779   66.137  198.135   13.017  185.610   14.381 12.52507 19.39743 
1 1 1    9  -18    7 o  323.284   11.983  1320.53   96.741  1390.67  136.116  1248.93  137.520  329.594   16.591  311.750   17.738 17.84375 24.28791 
1 1 1    9  -18    8 o  274.222   11.084  948.834   75.899  993.215  106.014  902.166  108.712  278.861   15.282  265.241   16.495 13.61951 22.48589 
1 1 1    9  -18    9 f  214.880   13.938  588.838   74.385  556.315   98.794  631.407  113.028  206.839   19.352  219.784   20.843 -12.94495 28.44187 
1 1 1    9  -18   10 f  243.925   11.124  751.474   67.758  833.420   93.082  659.104   98.825  255.418   14.655  225.866   17.662 29.55188 22.95005 
1 1 1    9  -18   11 o  291.835   11.650  1077.53   84.902  1134.18  117.200  1014.97  123.161  297.369   15.840  280.346   17.683 17.02307 23.74013 
1 1 1    9  -18   12 o   95.988   11.434  118.172   26.868  108.956   32.189  139.342   48.788   91.351   14.602  102.003   19.868 -10.65200 24.65672 
1 1 1    9  -18   13 o  112.066   11.771  160.871   32.449  193.048   39.918   98.184   55.716  122.485   13.263   84.792   24.765 37.69241 28.09261 
1 1 1    9  -18   14 o  127.172   14.874  209.877   46.342  236.771   70.849  189.766   61.266  132.337   22.227  118.470   21.501 13.86671 30.92470 
1 1 1    9  -18   15 o  247.740   12.806  785.146   78.954  847.493   95.311  648.797  140.949  256.309   14.956  216.734   26.601 39.57507 30.51726 
1 1 1    9  -18   16 o  204.359   10.522  531.635   53.514  537.544   68.473  522.360   85.778  204.242   13.501  199.299   17.410 4.942322 22.03185 
1 1 1    9  -18   17 o   60.553   15.523   49.525   23.582   50.219   26.255   46.629   53.646   60.909   16.743   64.276   24.341 -3.367332 29.54303 
1 1 1    9  -18   18 o   99.494   25.349  145.127   63.159   0.0000   0.0000  145.127   63.159  ?   ?    99.494   25.349 0.000000 25.34872 
1 1 1    9  -18   19 o  123.227   17.719  207.356   52.957  207.356   52.957   0.0000   0.0000  123.227   17.719  ?   ?  0.000000 17.71907 
1 1 1    9  -18   20 o   36.284   14.312   11.065   19.114   16.274   20.374 -27.1759   55.206   39.650   15.004   45.365   20.928 -5.714993 25.75054 
1 1 1    9  -18   21 o  111.808   12.571  166.114   34.491  186.215   39.569  102.525   70.377  117.801   13.707   79.944   28.253 37.85714 31.40220 
1 1 1    9  -18   22 o   64.959   16.042   59.953   25.867   63.467   28.371   42.636   62.976   66.457   17.021   61.269   25.317 5.187183 30.50680 
1 1 1    9  -18   23 o   85.262   22.800  115.014   49.486   76.216   67.772  159.325   72.427   69.652   27.104   95.100   28.358 -25.44847 39.22697 
1 1 1    9  -18   24 o   97.262   23.210  152.492   55.587  270.286   77.506   27.726   79.767  128.317   25.087   59.496   26.516 68.82133 36.50295 
1 1 1    9  -18   25 o   84.627   24.394  123.248   54.378  139.584   75.424  105.566   78.470   84.009   29.281   74.086   29.070 9.922821 41.26045 
1 1 1    9  -18   26 o   42.638   19.663 -10.1368   48.667 -15.5857   67.299  -4.1639   70.461   47.616   22.344   50.051   23.280 -2.434624 32.26825 
1 1 1    9  -17    0 o  157.456   9.2503  312.036   36.212  276.043   51.956  346.036   50.498  147.210   14.315  165.357   12.318 -18.14716 18.88466 
1 1 1    9  -17    1 o  346.701   12.226  1513.65  105.853  1568.68  150.064  1459.16  149.335  351.528   17.095  338.386   17.734 13.14127 24.63210 
1 1 1    9  -17    2 o  334.189   12.104  1406.86  101.010  1474.46  143.176  1339.88  142.525  340.724   16.827  324.067   17.679 16.65720 24.40687 
1 1 1    9  -17    3 o  307.904   11.122  1193.14   85.519  1367.95  121.325  1020.52  120.562  328.698   14.781  282.738   17.157 45.95947 22.64572 
1 1 1    9  -17    4 o  135.921   9.2939  233.083   31.356  293.975   44.182  171.283   44.509  152.302   11.706  115.114   15.909 37.18785 19.75165 
1 1 1    9  -17    5 o  139.584   13.996  248.995   48.127  248.533   68.928  249.434   67.228  137.633   20.696  138.073   20.087 -0.4402008 28.84088 
1 1 1    9  -17    6 o  272.738   10.882  936.905   74.117  971.187  104.295  901.926  105.349  276.158   15.182  265.832   15.943 10.32593 22.01554 
1 1 1    9  -17    7 o  384.476   13.507  1871.59  129.682  1890.11  182.732  1852.79  184.073  383.746   19.069  379.249   19.502 4.496643 27.27552 
1 1 1    9  -17    8 o  239.737   10.046  723.404   60.141  702.354   83.613  745.969   86.569  234.839   14.326  242.025   14.388 -7.186264 20.30454 
1 1 1    9  -17    9 o   82.121   11.200   86.598   22.369   92.641   28.304   76.543   36.510   84.405   13.913   75.709   19.264 8.696045 23.76297 
1 1 1    9  -17   10 o  240.396   10.314  728.153   61.919  689.092   85.077  772.145   90.288  232.328   14.741  245.971   14.768 -13.64337 20.86543 
1 1 1    9  -17   11 o   97.498   15.065  123.741   35.496  132.087   40.903   98.282   71.437  100.304   16.933   86.603   28.511 13.70105 33.15975 
1 1 1    9  -17   12 o  247.186   10.704  771.084   66.071  760.152   90.133  783.781   97.136  243.802   14.876  247.197   15.819 -3.395218 21.71459 
1 1 1    9  -17   13 o  255.739   11.325  826.968   72.325  885.592   98.914  759.615  106.023  262.957   15.127  242.371   17.638 20.58643 23.23663 
1 1 1    9  -17   14 o  255.008   11.071  822.398   70.498  842.847   95.260  797.636  104.824  256.420   14.941  248.481   16.995 7.939301 22.62940 
1 1 1    9  -17   15 o  238.597   10.886  720.388   64.862  699.547   85.944  747.966   98.864  233.365   14.825  240.513   16.562 -7.148682 22.22761 
1 1 1    9  -17   16 o  263.587   16.288  899.574  106.688  973.123  150.805  825.878  150.955  269.861   22.586  246.814   24.829 23.04643 33.56495 
1 1 1    9  -17   17 o  114.659   11.772  169.053   33.228  163.117   39.419  183.624   61.764  111.793   14.459  115.655   22.193 -3.862602 26.48734 
1 1 1    9  -17   18 o   56.132   15.699   42.182   22.867   41.282   25.034   46.720   56.191   55.763   16.682   65.193   24.858 -9.430126 29.93642 
1 1 1    9  -17   19 o  123.728   12.777  199.144   38.909  243.274   45.797   84.636   73.773  136.517   13.616   79.147   28.807 57.36998 31.86294 
1 1 1    9  -17   20 o   62.855   17.086   54.440   27.521   63.036   30.507   16.870   63.777   67.391   17.846   58.315   24.863 9.076031 30.60491 
1 1 1    9  -17   21 o  152.735   11.905  304.151   45.048  331.074   53.569  239.129   83.248  158.336   13.683  124.502   27.509 33.83350 30.72403 
1 1 1    9  -17   22 o   87.190   14.656  103.596   30.779  105.139   34.705   97.913   66.616   86.880   16.602   79.110   27.521 7.770508 32.14080 
1 1 1    9  -17   23 o   28.931   12.701  -2.5322   17.644  -6.9861   18.532   40.663   57.711   28.054   12.621   60.024   24.454 -31.96931 27.51861 
1 1 1    9  -17   24 o  120.532   19.560  212.719   56.856  211.343   78.391  214.247   82.586  111.301   28.177  110.575   29.401 0.7260056 40.72327 
1 1 1    9  -17   25 o  113.591   20.944  196.229   57.221  263.506   79.529  124.019   82.393  125.987   26.135   81.271   30.293 44.71581 40.00866 
1 1 1    9  -17   26 o   42.101   19.228  -9.9141   45.024   17.862   61.384 -42.2605   66.241   53.088   23.481   44.921   21.400 8.166481 31.76986 
1 1 1    9  -17   27 o   52.424   22.106   31.367   49.489   52.720   69.146   8.9406   70.861   60.403   25.824   52.546   24.045 7.856537 35.28517 
1 1 1    9  -16    0 o  285.879   15.545  1034.41  110.556  1087.81  156.877  981.714  155.828  291.352   21.718  276.339   22.785 15.01260 31.47723 
1 1 1    9  -16    1 o  379.805   13.072  1815.95  123.979  1887.22  175.807  1745.45  174.861  385.692   18.253  370.229   18.977 15.46326 26.33109 
1 1 1    9  -16    2 o  421.115   14.069  2237.00  147.954  2362.84  209.682  2112.21  208.798  430.789   19.492  406.336   20.645 24.45230 28.39275 
1 1 1    9  -16    3 o  177.432   9.4072  396.123   41.533  407.951   59.111  384.591   58.368  179.395   13.290  174.106   13.531 5.288315 18.96580 
1 1 1    9  -16    4 o  427.532   14.214  2309.82  151.757  2413.51  214.772  2206.43  214.463  434.593   19.790  415.088   20.690 19.50510 28.63071 
1 1 1    9  -16    5 o  330.907   11.876  1379.49   98.132  1358.94  138.467  1400.22  139.094  326.478   17.043  331.485   16.859 -5.007629 23.97271 
1 1 1    9  -16    6 o  148.351   9.0451  277.310   33.348  294.799   46.426  258.667   47.933  152.403   12.304  142.417   13.645 9.986145 18.37297 
1 1 1    9  -16    7 o  317.466   17.062  1287.65  134.765  1293.89  190.570  1281.42  190.602  314.523   24.456  312.918   24.590 1.604523 34.68074 
1 1 1    9  -16    8 o  188.243   9.4677  446.468   44.364  445.235   61.579  447.799   63.968  187.175   13.260  187.593   13.751 -0.4181976 19.10303 
1 1 1    9  -16    9 o  263.051   10.763  871.665   70.703  888.182   98.910  854.409  101.103  264.011   15.065  258.695   15.725 5.316223 21.77688 
1 1 1    9  -16   10 o   75.545   11.366   73.544   20.778   51.794   25.972  112.220   34.634   62.601   16.413   92.739   15.502 -30.13787 22.57637 
1 1 1    9  -16   11 o   64.460   13.083   54.458   20.341   57.501   24.579   47.845   36.232   65.952   15.232   61.884   20.301 4.067688 25.37993 
1 1 1    9  -16   12 o  275.973   16.572  976.614  113.680  1061.53  154.816  877.251  167.465  285.016   21.920  256.295   26.551 28.72034 34.42999 
1 1 1    9  -16   13 o  152.236   14.612  297.460   54.868  336.004   67.796  224.285   93.411  161.105   17.114  126.711   29.988 34.39426 34.52760 
1 1 1    9  -16   14 o  107.700   11.152  148.040   29.559  153.536   36.361  137.331   50.758  109.132   13.640  101.140   20.792 7.991776 24.86660 
1 1 1    9  -16   15 o  290.805   11.870  1070.84   86.197  1052.16  117.754  1092.41  126.518  285.938   16.562  290.873   17.500 -4.935272 24.09442 
1 1 1    9  -16   16 o  316.392   12.451  1270.84   98.374  1358.64  134.833  1170.91  143.848  324.626   16.689  299.693   19.324 24.93262 25.53320 
1 1 1    9  -16   17 o   61.142   23.348   37.433   49.618   0.0000   0.0000   37.433   49.618  ?   ?    61.142   23.348 0.000000 23.34796 
1 1 1    9  -16   18 o  166.243   21.950  372.481   88.894  372.481   88.894   0.0000   0.0000  166.243   21.950  ?   ?  0.000000 21.94971 
1 1 1    9  -16   19 o  204.979   10.881  535.809   55.495  528.208   69.844  548.826   91.399  202.182   13.918  203.752   18.153 -1.570053 22.87510 
1 1 1    9  -16   20 o  158.122   11.389  321.213   44.671  344.965   54.346  271.739   78.435  162.996   13.472  139.293   23.377 23.70311 26.98155 
1 1 1    9  -16   21 f   45.747   15.513   26.051   21.127   28.394   22.731   11.192   57.248   47.568   16.092   54.920   23.489 -7.351513 28.47265 
1 1 1    9  -16   22 f  109.550   17.398  164.548   46.003  169.876   47.439   80.501  188.407  111.187   17.677   88.713   40.044 22.47445 43.77191 
1 1 1    9  -16   23 o   59.060   15.830   48.506   23.822   58.145   26.023  -1.3593   59.189   64.515   16.181   51.632   22.936 12.88314 28.06966 
1 1 1    9  -16   24 o  128.921   12.467  220.512   39.635  244.732   46.264  153.692   76.844  134.910   13.933   95.041   29.390 39.86982 32.52557 
1 1 1    9  -16   25 o   36.058   14.641   9.5729   20.599   4.9056   21.871   46.254   61.313   34.857   14.697   61.694   25.178 -26.83694 29.15363 
1 1 1    9  -16   26 o   49.247   20.943   17.333   45.039   20.757   61.082   13.253   66.676   54.807   23.855   54.760   24.334 0.4664993E-01 34.07666 
1 1 1    9  -16   27 o   56.169   22.457   41.256   47.661   60.069   65.060   19.465   70.019   63.691   25.958   55.742   24.843 7.948666 35.93040 
1 1 1    9  -16   28 o   52.046   21.869   29.940   48.156   26.556   64.745   34.129   72.044   54.773   24.176   57.523   25.441 -2.749847 35.09608 
1 1 1    9  -16   29 o   37.439   18.500 -91.4536   63.243   0.0000   0.0000 -91.4536   63.243  ?   ?    37.439   18.500 0.000000 18.49999 
1 1 1    9  -15    0 o  102.006   9.5921  131.497   24.147  142.111   35.616  122.467   32.849  105.428   13.864   97.747   13.845 7.680809 19.59316 
1 1 1    9  -15    1 o  128.829   9.3182  209.015   29.775  223.454   43.273  196.031   41.034  132.672   13.238  124.144   13.451 8.528328 18.87280 
1 1 1    9  -15    2 o  235.725   14.077  702.152   82.486  738.339  117.063  666.468  116.248  240.413   19.671  228.070   20.635 12.34311 28.50866 
1 1 1    9  -15    3 o  346.154   12.219  1506.59  105.619  1572.92  149.640  1440.75  149.098  352.544   16.997  336.745   17.794 15.79907 24.60744 
1 1 1    9  -15    4 o  436.424   14.698  2404.43  160.186  2427.86  226.686  2381.06  226.388  436.156   20.813  431.850   20.993 4.305695 29.56135 
1 1 1    9  -15    5 o  351.617   12.520  1557.13  109.937  1552.82  155.333  1561.46  155.615  349.137   17.876  350.116   17.858 -0.9793091 25.26797 
1 1 1    9  -15    6 f  432.019   14.480  2359.59  156.218  2375.04  220.776  2344.09  221.076  430.749   20.525  427.848   20.692 2.901276 29.14480 
1 1 1    9  -15    7 o  404.888   13.489  2070.64  136.382  1986.53  192.356  2155.66  193.394  394.101   19.546  410.877   18.849 -16.77597 27.15329 
1 1 1    9  -15    8 o   95.282   9.9205  115.315   23.258  120.591   31.152  108.672   34.961   96.844   13.227   91.258   15.920 5.586060 20.69839 
1 1 1    9  -15    9 o  235.245   14.679  704.091   85.803  657.907  121.090  750.664  121.600  224.836   21.843  240.889   20.406 -16.05319 29.89205 
1 1 1    9  -15   10 o  130.205   9.4405  214.169   30.487  217.635   40.811  209.793   45.860  130.661   12.667  127.824   14.631 2.837120 19.35213 
1 1 1    9  -15   11 o  151.750   9.3902  290.565   35.409  280.598   47.726  302.770   52.811  148.399   13.010  153.984   13.883 -5.584564 19.02660 
1 1 1    9  -15   12 o  299.456   11.248  1130.99   84.109  1131.56  117.031  1130.38  120.963  297.692   15.799  297.300   16.356 0.3913269 22.74075 
1 1 1    9  -15   13 o  199.740   9.8464  502.144   49.113  475.762   65.973  534.938   73.556  193.225   13.763  204.729   14.481 -11.50378 19.97769 
1 1 1    9  -15   14 o  281.987   15.795  1017.22  110.775  974.217  149.176  1070.09  165.395  272.851   22.083  285.231   23.428 -12.38037 32.19510 
1 1 1    9  -15   15 o  287.137   11.244  1041.28   80.625  1001.66  110.602  1086.21  117.779  279.614   15.906  291.042   16.271 -11.42792 22.75359 
1 1 1    9  -15   16 o  183.138   10.657  424.742   48.525  438.364   63.327  405.369   75.521  185.198   13.792  176.871   17.321 8.326492 22.14117 
1 1 1    9  -15   17 o  376.488   13.700  1804.15  128.801  1859.41  177.811  1743.13  186.829  379.048   18.785  365.233   20.568 13.81509 27.85544 
1 1 1    9  -15   18 o  244.826   11.112  758.911   67.939  771.837   89.416  741.257  104.497  245.241   14.668  238.882   17.642 6.359543 22.94330 
1 1 1    9  -15   19 o  179.875   15.351  418.923   68.292  438.995   93.908  396.392   99.493  181.372   21.130  170.688   24.006 10.68480 31.98033 
1 1 1    9  -15   20 o  173.105   11.210  382.663   48.196  383.848   59.386  380.378   82.492  172.348   13.917  168.626   19.979 3.721603 24.34822 
1 1 1    9  -15   21 o  221.683   11.451  629.326   63.176  668.439   79.959  564.343  103.064  226.995   14.177  204.393   20.468 22.60248 24.89794 
1 1 1    9  -15   22 o  228.585   11.742  672.772   66.801  715.443   84.213  600.355  109.706  233.915   14.488  208.804   21.340 25.11168 25.79316 
1 1 1    9  -15   23 o   94.513   14.439  119.504   32.997  143.044   37.298   34.711   70.787  103.363   14.879   64.122   26.696 39.24152 30.56265 
1 1 1    9  -15   24 o   72.350   17.251   73.525   30.728   74.776   31.082   19.500  204.252   72.944   17.321   82.321   38.724 -9.376595 42.42179 
1 1 1    9  -15   25 o  106.474   13.329  151.889   34.662  184.000   39.074   33.301   75.092  117.152   13.610   62.769   26.876 54.38297 30.12549 
1 1 1    9  -15   26 o   71.852   15.953   72.938   27.878   76.387   30.694   56.693   66.619   72.987   17.134   65.558   26.430 7.429527 31.49791 
1 1 1    9  -15   27 o   94.288   21.804  136.944   50.316  150.803   70.704  122.726   71.619   92.945   28.087   83.452   28.561 9.493446 40.05787 
1 1 1    9  -15   28 o   78.229   22.944   99.438   47.735  119.049   66.752   78.912   68.290   81.409   27.575   69.201   27.129 12.20741 38.68309 
1 1 1    9  -15   29 o   52.914   21.879   33.020   47.073   18.272   66.602   47.741   66.541   53.901   24.111   59.867   25.458 -5.966305 35.06304 
1 1 1    9  -15   30 o  109.867   22.916  203.085   60.836  297.658   87.460  114.433   84.678  124.437   28.727   72.754   29.629 51.68254 41.26896 
1 1 1    9  -14    0 o  282.518   10.639  999.959   75.055  1072.12  106.834  929.626  105.468  291.721   14.713  271.431   15.626 20.29095 21.46243 
1 1 1    9  -14    1 o  235.717   10.069  696.031   59.271  689.000   84.475  702.848   83.184  233.665   14.549  236.073   14.176 -2.407410 20.31376 
1 1 1    9  -14    2 o  109.514   9.3706  151.303   25.380  188.904   37.091  118.195   34.804  122.062   12.338   95.785   15.046 26.27666 19.45799 
1 1 1    9  -14    3 o  300.438   11.024  1132.31   82.707  1170.27  117.395  1094.89  116.541  304.356   15.497  294.271   15.918 10.08545 22.21628 
1 1 1    9  -14    4 o  370.074   17.931  1733.39  165.709  2023.74  235.098  1446.71  233.605  397.171   23.814  333.682   28.302 63.48889 36.98759 
1 1 1    9  -14    5 o  269.340   10.612  910.554   71.378  908.579  101.111  912.515  100.777  267.899   15.176  268.500   15.091 -0.6010437 21.40257 
1 1 1    9  -14    6 o  380.702   12.853  1824.99  122.193  1777.75  172.584  1872.48  173.032  374.069   18.476  384.059   18.042 -9.990143 25.82347 
1 1 1    9  -14    7 o  265.903   10.491  888.248   69.662  875.910   98.165  900.763   98.871  262.794   15.021  266.537   14.915 -3.743011 21.16769 
1 1 1    9  -14    8 o  376.892   13.060  1791.88  122.915  1823.16  173.478  1760.35  174.181  378.286   18.364  371.066   18.859 7.220154 26.32350 
1 1 1    9  -14    9 o  138.647   9.1930  242.367   31.648  236.059   43.411  249.522   46.238  136.177   12.920  139.942   13.395 -3.764633 18.61066 
1 1 1    9  -14   10 o  102.734   12.176  134.908   30.629  131.567   51.636  136.721   38.044   99.316   21.447  102.764   15.291 -3.447769 26.34023 
1 1 1    9  -14   11 o  442.510   21.482  2525.32  237.387  2528.72  335.495  2521.92  335.936  434.390   31.135  433.717   31.226 0.6723328 44.09576 
1 1 1    9  -14   12 o  211.351   9.6785  561.624   51.081  560.334   70.263  563.071   74.393  210.015   13.469  210.315   14.249 -0.2997742 19.60705 
1 1 1    9  -14   13 o  106.189   10.294  143.245   26.954  154.697   34.239  124.578   43.711  109.920   12.708   97.051   18.714 12.86899 22.62123 
1 1 1    9  -14   14 o   72.599   12.895   68.603   22.521   87.086   27.337   29.561   39.731   81.804   13.878   55.368   20.952 26.43602 25.13162 
1 1 1    9  -14   15 o  192.054   10.475  466.106   50.047  487.420   67.049  439.290   75.207  195.560   13.819  184.805   16.469 10.75438 21.49851 
1 1 1    9  -14   16 o   78.899   29.224   69.886   76.447   0.0000   0.0000   69.886   76.447  ?   ?    78.899   29.224 0.000000 29.22448 
1 1 1    9  -14   17 o  319.210   16.783  1308.86  133.309  1308.86  133.309   0.0000   0.0000  319.210   16.783  ?   ?  0.000000 16.78265 
1 1 1    9  -14   18 o  423.872   14.227  2288.45  150.596  2197.04  208.900  2387.37  217.298  411.102   20.349  428.576   20.304 -17.47430 28.74569 
1 1 1    9  -14   19 o  254.308   11.201  818.536   71.130  836.738   94.113  794.287  108.627  255.435   14.818  247.466   17.695 7.969009 23.07985 
1 1 1    9  -14   20 o   85.748   13.055   95.713   27.072   74.844   30.784  166.926   56.867   74.726   16.894  110.975   21.295 -36.24884 27.18233 
1 1 1    9  -14   21 o  222.255   15.581  640.905   85.928  712.143  119.970  565.863  123.132  230.864   21.041  203.061   24.798 27.80305 32.52128 
1 1 1    9  -14   22 o  240.341   11.458  737.208   68.768  767.261   87.606  688.963  110.999  243.235   14.489  226.833   19.794 16.40182 24.53008 
1 1 1    9  -14   23 o   97.277   12.989  124.049   30.764  121.086   34.702  134.928   66.488   95.327   15.079   95.589   26.782 -0.2612610 30.73581 
1 1 1    9  -14   24 o  181.856   11.409  427.221   51.548  453.622   62.516  371.149   91.106  186.159   13.541  161.299   23.294 24.86026 26.94331 
1 1 1    9  -14   25 o  158.908   17.338  344.888   67.685  335.967   70.708  442.548  233.948  155.902   18.525  130.514   50.477 25.38747 53.76851 
1 1 1    9  -14   26 o   48.892   16.110   31.789   22.806   35.117   24.846   13.989   57.461   51.117   16.813   54.007   23.322 -2.890602 28.75057 
1 1 1    9  -14   27 o  146.287   12.363  283.867   44.740  328.425   52.758  169.784   84.419  156.440   13.641   97.757   30.895 58.68349 33.77237 
1 1 1    9  -14   28 o   89.223   14.721  110.262   31.656  113.795   35.765   97.485   68.023   89.524   16.610   76.370   27.683 13.15374 32.28324 
1 1 1    9  -14   29 o   54.803   21.846   37.181   44.971   82.766   63.679  -8.1755   63.519   70.640   26.572   49.656   22.738 20.98411 34.97252 
1 1 1    9  -14   30 o  105.101   21.542  174.708   54.639  269.435   78.752   86.787   75.870  125.369   26.007   69.869   28.192 55.50035 38.35600 
1 1 1    9  -14   31 o  134.949   20.628  288.196   67.308  413.575   97.086  172.166   93.396  152.285   26.492   85.295   32.161 66.99000 41.66691 
1 1 1    9  -13    0 o  450.347   15.003  2546.39  168.722  2507.88  238.814  2584.77  238.403  445.641   21.460  452.505   21.098 -6.864502 30.09383 
1 1 1    9  -13    1 o  239.310   10.132  717.013   60.551  688.492   86.268  744.708   85.010  233.672   14.861  243.182   14.059 -9.509903 20.45745 
1 1 1    9  -13    2 o  586.249   18.610  4334.25  272.448  4456.30  385.724  4212.73  384.876  591.613   26.109  574.916   26.808 16.69708 37.42123 
1 1 1    9  -13    3 o   95.771   9.7309  116.042   22.949  156.524   33.731   81.154   31.314  111.017   12.378   78.843   16.437 32.17433 20.57646 
1 1 1    9  -13    4 o  436.296   14.526  2394.21  158.264  2422.69  224.099  2365.88  223.539  437.298   20.522  432.081   20.718 5.217224 29.16078 
1 1 1    9  -13    5 o  410.337   13.661  2117.49  139.984  2085.88  198.053  2149.03  197.881  405.745   19.547  411.936   19.236 -6.190643 27.42473 
1 1 1    9  -13    6 o  128.365   12.290  208.929   38.915  295.424   55.263  123.849   54.809  152.427   14.701   96.616   23.041 55.81133 27.33101 
1 1 1    9  -13    7 o  453.112   14.793  2590.19  167.380  2578.84  236.512  2601.57  236.911  449.744   21.059  451.748   21.001 -2.003479 29.74087 
1 1 1    9  -13    8 o  116.234   9.1636  170.471   26.382  159.166   36.628  182.658   38.032  111.602   13.412  119.750   12.923 -8.148285 18.62444 
1 1 1    9  -13    9 o  239.890   9.9611  722.610   59.672  695.051   83.729  751.055   85.064  234.128   14.391  243.496   14.049 -9.367538 20.11147 
1 1 1    9  -13   10 o  180.374   9.2837  409.449   41.674  392.876   57.874  427.298   60.060  175.950   13.269  183.553   13.191 -7.603317 18.71041 
1 1 1    9  -13   11 o  270.086   10.617  917.512   71.610  917.606  100.259  917.415  102.314  268.724   15.000  268.597   15.318 0.1274109 21.43918 
1 1 1    9  -13   12 o  257.847   15.206  846.107   97.480  824.405  137.197  868.232  138.526  251.922   22.030  258.750   21.637 -6.827271 30.87887 
1 1 1    9  -13   13 o   68.215   11.916   60.355   19.559   47.568   23.642   88.090   34.818   60.090   15.613   81.589   17.606 -21.49854 23.53171 
1 1 1    9  -13   14 o  152.967   9.5714  295.292   36.378  285.210   48.104  308.762   55.598  149.648   13.001  155.391   14.495 -5.742661 19.47181 
1 1 1    9  -13   15 o  142.999   9.6581  258.319   34.286  242.617   44.680  280.811   53.473  137.874   13.136  148.048   14.656 -10.17390 19.68153 
1 1 1    9  -13   16 o  200.289   9.6538  504.663   48.284  484.156   63.829  532.094   73.825  195.124   13.177  204.195   14.574 -9.070953 19.64746 
1 1 1    9  -13   17 o  230.001   15.457  676.754   88.261  698.589  113.816  643.816  139.790  231.927   19.843  219.600   25.996 12.32761 32.70356 
1 1 1    9  -13   18 o  252.919   15.096  817.777   94.910  743.890  121.475  933.567  152.068  238.802   20.571  266.269   23.099 -27.46724 30.93097 
1 1 1    9  -13   19 o  244.551   10.770  755.041   65.774  759.962   87.106  748.513  100.326  243.907   14.365  241.076   16.769 2.831131 22.08071 
1 1 1    9  -13   20 o  353.234   13.100  1585.99  115.552  1535.19  157.817  1644.69  169.654  344.124   18.432  355.681   19.172 -11.55753 26.59483 
1 1 1    9  -13   21 o   69.356   14.617   63.767   24.517   63.570   27.429   64.549   54.681   68.965   16.202   71.835   24.937 -2.869553 29.73823 
1 1 1    9  -13   22 o  214.166   13.652  589.523   72.632  593.937  109.789  586.088   96.856  210.874   21.133  211.019   18.569 -0.1454010 28.13261 
1 1 1    9  -13   23 o   66.414   15.073   59.227   24.426   68.295   26.779   14.325   59.590   71.303   15.483   57.465   24.246 13.83820 28.76800 
1 1 1    9  -13   24 o  151.033   11.324  293.388   42.399  318.013   50.924  237.748   76.547  156.497   13.153  129.082   24.646 27.41522 27.93620 
1 1 1    9  -13   25 o  211.791   11.301  578.031   59.552  629.352   74.164  484.877   99.920  219.513   13.596  186.179   21.911 33.33446 25.78675 
1 1 1    9  -13   26 o  140.118   12.380  257.116   42.871  317.149   50.343   98.689   81.782  155.298   13.104   81.153   30.194 74.14536 32.91461 
1 1 1    9  -13   27 o   83.674   18.950  100.411   38.676  100.411   38.676   0.0000   0.0000   83.674   18.950  ?   ?  0.000000 18.94981 
1 1 1    9  -13   28 f  115.731   12.685  178.556   36.060  200.342   41.655  113.400   72.036  121.884   13.936   82.611   28.626 39.27328 31.83774 
1 1 1    9  -13   29 o  167.461   12.043  371.927   50.027  438.372   59.528  212.180   92.302  180.743   13.282  106.996   32.037 73.74722 34.68145 
1 1 1    9  -13   30 o   60.529   22.227   53.603   44.058   21.677   61.777   86.648   62.852   54.986   23.961   72.140   26.539 -17.15422 35.75540 
1 1 1    9  -13   31 o   51.384   21.398   27.718   45.491   37.830   64.387   17.640   64.280   57.903   24.842   53.718   23.881 4.185192 34.45885 
1 1 1    9  -13   32 o  121.543   21.227  236.030   62.084  263.425   88.998  210.062   86.648  114.238   30.588   98.973   31.302 15.26410 43.76590 
1 1 1    9  -12    0 f  114.409   14.208  166.603   39.718  151.362   58.110  179.967   54.412  107.601   22.357  118.148   19.094 -10.54751 29.40065 
1 1 1    9  -12    1 o  397.944   19.414  1993.73  192.921  1919.17  273.149  2067.95  272.516  387.628   28.417  402.799   27.253 -15.17111 39.37300 
1 1 1    9  -12    2 o  320.428   11.830  1286.27   94.658  1269.06  134.239  1303.29  133.498  317.268   17.005  321.588   16.681 -4.320038 23.82081 
1 1 1    9  -12    3 o   87.361   10.091   96.809   21.608  106.443   31.786   88.532   29.464   90.977   14.476   82.739   14.804 8.237709 20.70527 
1 1 1    9  -12    4 o  393.970   13.610  1948.26  133.899  1962.13  189.569  1934.46  189.155  394.329   19.251  391.518   19.347 2.810608 27.29317 
1 1 1    9  -12    5 o  102.687   9.5428  133.169   24.191  137.105   35.114  129.613   33.374  103.558   13.932  100.691   13.623 2.867043 19.48515 
1 1 1    9  -12    6 o  144.937   9.0573  264.068   32.617  253.824   46.448  274.034   45.814  141.525   13.299  147.206   12.584 -5.681503 18.30865 
1 1 1    9  -12    7 o  138.170   8.8485  240.076   30.370  271.727   42.959  208.452   42.941  146.647   11.832  128.029   13.641 18.61774 18.05724 
1 1 1    9  -12    8 o  136.553   12.391  236.291   41.793  264.803   58.169  205.867   60.087  143.861   16.490  125.883   19.766 17.97768 25.74071 
1 1 1    9  -12    9 o  135.554   8.9228  231.314   30.035  250.815   41.886  210.673   43.092  140.726   12.035  128.608   13.625 12.11844 18.17924 
1 1 1    9  -12   10 o  355.670   12.179  1592.21  108.173  1531.50  152.490  1653.71  153.475  346.872   17.663  361.101   17.020 -14.22977 24.52867 
1 1 1    9  -12   11 o   89.576   9.7828  101.929   21.527   81.377   28.463  129.400   32.906   78.948   14.986  100.401   13.464 -21.45290 20.14559 
1 1 1    9  -12   12 o   97.913   9.5136  121.499   22.968  105.406   30.067  144.047   35.589   90.351   13.761  105.920   13.781 -15.56976 19.47536 
1 1 1    9  -12   13 o  335.707   12.244  1421.19  102.645  1420.44  144.148  1421.96  146.196  333.532   17.367  333.607   17.611 -0.7489014E-01 24.73398 
1 1 1    9  -12   14 o  322.339   17.167  1327.51  137.683  1387.33  194.575  1267.51  194.851  326.026   24.069  310.841   25.322 15.18500 34.93653 
1 1 1    9  -12   15 o  124.790   15.872  200.995   48.342   0.0000   0.0000  200.995   48.342  ?   ?   124.790   15.872 0.000000 15.87217 
1 1 1    9  -12   16 o  345.030   17.848  1525.95  153.255  1525.95  153.255   0.0000   0.0000  345.030   17.848  ?   ?  0.000000 17.84832 
1 1 1    9  -12   17 o  148.643   9.1002  278.692   33.616  234.578   42.809  349.646   54.292  135.618   12.792  165.698   13.232 -30.07939 18.40388 
1 1 1    9  -12   18 o  318.301   11.688  1279.27   92.900  1267.30  127.903  1292.64  135.159  314.750   16.329  317.519   17.109 -2.769318 23.65080 
1 1 1    9  -12   19 o   44.036   15.435   22.028   20.973   22.703   21.657   11.842   84.133   44.709   15.684   67.388   28.640 -22.67892 32.65327 
1 1 1    9  -12   20 o  126.121   10.963  202.290   34.185  205.073   41.222  196.160   61.176  126.472   13.249  121.366   20.942 5.106583 24.78100 
1 1 1    9  -12   21 o  122.081   11.233  190.000   33.860  205.945   40.501  152.980   61.713  126.720   12.982  105.749   23.928 20.97137 27.22300 
1 1 1    9  -12   22 o  139.559   10.456  247.553   36.174  241.070   43.599  261.874   64.803  137.083   12.888  140.876   18.897 -3.793030 22.87325 
1 1 1    9  -12   23 o   77.930   13.398   79.672   25.134   88.970   28.401   46.092   53.973   82.191   14.360   65.054   24.465 17.13685 28.36779 
1 1 1    9  -12   24 o   96.682   18.100  126.139   42.092  131.246   58.145  120.515   61.013   96.382   24.195   92.011   25.612 4.370750 35.23311 
1 1 1    9  -12   25 o  150.225   11.170  289.869   41.602  292.048   50.018  284.976   74.938  149.836   13.513  143.759   21.538 6.077209 25.42581 
1 1 1    9  -12   26 o   60.507   15.998   50.056   24.542   56.426   27.169   21.807   57.212   64.055   16.783   57.410   23.960 6.645054 29.25309 
1 1 1    9  -12   27 o   32.103   13.652   1.7445   19.139  -8.9629   20.546   72.032   52.640   29.325   13.231   71.170   24.481 -41.84502 27.82791 
1 1 1    9  -12   28 o   89.967   19.135  115.688   41.667  115.688   41.667   0.0000   0.0000   89.967   19.135  ?   ?  0.000000 19.13490 
1 1 1    9  -12   29 o  187.501   12.237  463.519   56.983  515.140   68.130  343.331  103.958  196.124   14.003  143.789   29.926 52.33463 33.03994 
1 1 1    9  -12   30 o  104.918   13.795  149.510   35.267  165.171   40.538  100.767   71.519  109.411   15.252   77.818   28.358 31.59315 32.19924 
1 1 1    9  -12   31 o   99.677   14.546  137.592   35.139  168.470   40.483   43.255   70.761  110.018   15.136   61.679   26.241 48.33963 30.29324 
1 1 1    9  -12   32 o   85.462   23.560  121.307   51.900  207.042   74.879   42.038   72.000  107.626   27.699   60.231   26.057 47.39488 38.02890 
1 1 1    9  -12   33 o  166.202   18.505  416.226   75.498  622.930  109.649  229.889  104.107  195.032   22.953   97.315   34.366 97.71715 41.32593 
1 1 1    9  -11    0 o  545.928   17.527  3741.27  238.946  3758.45  338.214  3724.15  337.630  545.715   24.818  543.203   24.890 2.512512 35.14933 
1 1 1    9  -11    1 o  670.223   20.993  5654.50  351.360  5596.27  496.996  5712.69  496.799  663.973   29.974  670.963   29.650 -6.989197 42.16184 
1 1 1    9  -11    2 o  242.665   14.615  741.018   88.151  727.489  125.489  754.197  123.855  239.397   21.211  243.909   20.525 -4.511765 29.51592 
1 1 1    9  -11    3 f  216.937   13.995  592.524   75.408  614.684  107.420  570.993  105.884  220.087   19.756  211.968   20.250 8.119064 28.29037 
1 1 1    9  -11    4 o  126.863   9.1675  202.396   28.847  186.171   41.711  217.271   39.939  121.021   14.064  131.102   12.345 -10.08159 18.71341 
1 1 1    9  -11    5 o  380.965   13.173  1820.39  125.316  1837.52  177.504  1803.36  176.946  381.892   18.613  378.304   18.730 3.588043 26.40594 
1 1 1    9  -11    6 o  344.625   12.152  1489.30  104.579  1508.88  148.232  1469.90  147.563  346.147   17.149  341.178   17.377 4.969482 24.41424 
1 1 1    9  -11    7 o  378.705   12.845  1800.35  121.477  1736.79  171.727  1864.00  171.863  370.886   18.542  384.372   17.905 -13.48633 25.77574 
1 1 1    9  -11    8 o  280.593   10.453  986.990   73.244  875.026  103.221  1100.54  103.947  263.068   15.786  295.814   14.072 -32.74670 21.14705 
1 1 1    9  -11    9 o  621.998   28.295  4990.99  439.489  4866.25  620.914  5116.22  622.151  601.967   41.560  618.360   40.515 -16.39307 58.04026 
1 1 1    9  -11   10 o  247.623   13.296  774.070   81.917  542.243  114.045  1021.17  117.741  204.796   22.681  283.673   16.695 -78.87746 28.16249 
1 1 1    9  -11   11 o  286.180   10.464  1028.38   74.780  948.684  105.074  1110.17  106.450  273.541   15.446  296.603   14.372 -23.06171 21.09787 
1 1 1    9  -11   12 o  199.216   9.1021  497.857   45.281  483.198   62.907  513.620   65.231  195.375   12.967  201.443   13.037 -6.068054 18.38816 
1 1 1    9  -11   13 o  321.051   11.692  1297.70   93.741  1269.49  131.623  1326.72  133.536  315.752   16.753  322.859   16.619 -7.106659 23.59789 
1 1 1    9  -11   14 o   27.450   11.710  -0.2439   14.161  -6.5213   16.682   15.947   26.791   27.233   12.132   44.031   17.067 -16.79819 20.93958 
1 1 1    9  -11   15 o  202.412   11.776  518.064   59.267  547.127   70.636  448.940  108.937  207.577   13.704  184.602   24.215 22.97493 27.82409 
1 1 1    9  -11   16 o  235.379   14.613  704.813   85.470  647.456  120.053  763.765  121.711  223.018   21.837  243.053   20.237 -20.03439 29.77210 
1 1 1    9  -11   17 o  340.819   11.630  1464.80   98.983  1350.93  137.423  1587.57  142.692  325.077   16.988  353.188   16.179 -28.11118 23.45911 
1 1 1    9  -11   18 o  140.701   9.6777  250.105   33.796  253.671   43.208  244.484   54.242  141.187   12.380  137.697   16.077 3.490295 20.29175 
1 1 1    9  -11   19 o  160.402   9.4885  324.674   37.838  318.253   48.182  335.005   61.117  158.237   12.290  161.600   15.328 -3.363525 19.64676 
1 1 1    9  -11   20 o  203.999   10.140  524.145   51.658  503.604   67.553  553.072   80.166  198.809   13.690  207.794   15.562 -8.985138 20.72709 
1 1 1    9  -11   21 o  238.878   15.246  730.219   90.471  666.120  111.700  852.462  154.253  226.137   19.986  253.394   24.691 -27.25702 31.76608 
1 1 1    9  -11   22 o  295.235   11.409  1102.34   84.115  1083.56  112.523  1126.14  126.637  290.742   15.555  295.549   17.233 -4.807007 23.21491 
1 1 1    9  -11   23 o  116.528   11.620  173.719   33.362  195.076   39.719  122.556   61.476  123.162   13.116   94.075   25.521 29.08757 28.69389 
1 1 1    9  -11   24 o   90.536   12.505  106.263   27.517  117.812   31.695   70.910   55.454   95.067   13.750   73.991   25.133 21.07626 28.64845 
1 1 1    9  -11   25 o  155.942   11.006  310.770   42.585  310.978   51.601  310.325   75.407  155.125   13.454  151.742   20.418 3.382416 24.45239 
1 1 1    9  -11   26 o  215.051   11.781  593.879   63.027  624.235   75.593  524.647  114.159  219.335   13.873  193.839   24.105 25.49669 27.81160 
1 1 1    9  -11   27 o   84.846   13.430   95.450   27.507   87.186   30.897  127.028   60.397   80.093   16.008   92.780   25.349 -12.68751 29.98000 
1 1 1    9  -11   28 o  114.582   12.087  171.849   34.064  190.179   39.325  116.766   68.171  120.010   13.348   87.058   27.789 32.95240 30.82903 
1 1 1    9  -11   29 o   39.666   15.148   15.925   20.887   7.5292   22.532   67.229   55.699   36.708   15.154   68.990   25.043 -32.28154 29.27120 
1 1 1    9  -11   30 o  146.315   19.074  303.490   68.034  303.490   68.034   0.0000   0.0000  146.315   19.074  ?   ?  0.000000 19.07406 
1 1 1    9  -11   31 o  159.056   12.468  336.271   49.125  387.367   58.248  210.382   91.429  169.572   13.877  107.593   31.810 61.97886 34.70494 
1 1 1    9  -11   32 o  124.232   13.150  208.901   40.175  245.686   46.827  106.307   78.201  133.969   14.214   77.663   29.394 56.30547 32.65002 
1 1 1    9  -11   33 o  138.452   18.848  284.074   63.471  339.508   90.821  231.153   88.739  141.135   26.748  109.166   31.066 31.96916 40.99469 
1 1 1    9  -10    0 o  448.168   14.865  2516.47  166.358  2601.74  235.630  2431.73  234.903  454.961   20.740  439.752   21.391 15.20901 29.79457 
1 1 1    9  -10    1 o  251.222   10.266  789.367   64.403  818.526   91.570  760.826   90.596  255.204   14.428  245.969   14.819 9.234894 20.68223 
1 1 1    9  -10    2 o  358.578   12.657  1609.82  113.339  1586.26  160.537  1633.23  160.035  354.973   18.171  360.698   17.767 -5.724609 25.41404 
1 1 1    9  -10    3 o  313.779   11.597  1232.35   90.868  1202.25  128.708  1262.27  128.308  309.066   16.739  316.776   16.275 -7.710388 23.34654 
1 1 1    9  -10    4 o  268.222   15.199  905.252  101.383  891.509  143.717  918.865  143.038  265.070   21.908  269.219   21.454 -4.149414 30.66374 
1 1 1    9  -10    5 o  362.021   17.987  1647.99  162.604  1786.83  230.643  1510.79  229.277  374.998   24.769  344.134   26.894 30.86417 36.56202 
1 1 1    9  -10    6 o  565.128   18.000  4019.02  254.020  4002.71  359.328  4035.31  359.149  561.735   25.616  564.059   25.498 -2.323547 36.14280 
1 1 1    9  -10    7 o  396.598   13.453  1973.54  133.236  1970.15  188.551  1976.91  188.297  395.279   19.102  395.969   19.043 -0.6895142 26.97234 
1 1 1    9  -10    8 o  210.430   9.4635  554.396   49.729  572.331   70.377  536.512   70.279  213.118   13.290  206.251   13.723 6.867310 19.10398 
1 1 1    9  -10    9 o  318.498   11.652  1272.51   92.674  1241.27  130.908  1303.90  131.213  313.344   16.791  321.260   16.410 -7.916138 23.47859 
1 1 1    9  -10   10 f   80.975   10.240   83.499   20.243   80.795   27.653   86.620   29.714   78.890   14.574   81.655   15.130 -2.764069 21.00715 
1 1 1    9  -10   11 o  247.787   14.037  775.712   86.501  691.700  120.926  863.745  123.786  232.196   21.085  260.232   19.184 -28.03564 28.50603 
1 1 1    9  -10   12 o   33.079   13.262   6.5507   16.671   10.363   19.736  -2.9431   31.143   37.238   14.588   39.821   17.183 -2.583202 22.54023 
1 1 1    9  -10   13 o  146.716   8.7732  270.851   31.996  243.821   43.586  302.440   47.118  138.558   12.740  154.518   12.313 -15.95976 17.71759 
1 1 1    9  -10   14 o  308.243   16.594  1208.97  127.258   0.0000   0.0000  1208.97  127.258  ?   ?   308.243   16.594 0.000000 16.59377 
1 1 1    9  -10   15 o  175.202   12.437  388.874   54.060  388.874   54.060   0.0000   0.0000  175.202   12.437  ?   ?  0.000000 12.43698 
1 1 1    9  -10   16 o  140.257   9.2641  248.075   32.265  247.820   42.506  248.421   49.560  139.658   12.314  139.378   14.449 0.2801056 18.98457 
1 1 1    9  -10   17 o  295.252   16.319  1111.69  119.855  1147.34  168.870  1075.50  170.137  296.979   22.949  286.964   23.961 10.01584 33.17822 
1 1 1    9  -10   18 o  197.514   11.108  492.930   54.567  491.817   65.964  495.343   97.120  196.735   13.509  195.384   20.197 1.350983 24.29804 
1 1 1    9  -10   19 o  135.083   9.1442  230.288   30.664  205.046   38.589  273.537   50.510  126.851   12.338  146.306   13.996 -19.45566 18.65770 
1 1 1    9  -10   20 o   92.009   10.514  107.966   23.725   91.123   28.409  146.787   43.130   83.689   14.095  106.035   16.852 -22.34650 21.96940 
1 1 1    9  -10   21 o  226.826   9.8988  647.617   56.069  591.953   73.693  724.139   86.403  215.636   13.757  238.310   14.589 -22.67331 20.05246 
1 1 1    9  -10   22 o  195.546   14.995  489.597   72.663  470.348   86.664  535.157  133.329  190.432   18.456  198.954   27.578 -8.521622 33.18366 
1 1 1    9  -10   23 o  112.370   11.158  161.069   30.896  161.064   36.679  161.081   57.327  111.853   13.398  109.388   21.752 2.464775 25.54741 
1 1 1    9  -10   24 f  154.192   10.814  302.068   41.374  311.220   50.985  284.418   70.802  155.866   13.224  146.648   19.843 9.217712 23.84599 
1 1 1    9  -10   25 o  133.730   10.968  228.180   36.304  210.826   43.291  269.307   66.644  127.707   13.794  142.431   19.229 -14.72395 23.66465 
1 1 1    9  -10   26 o  326.517   12.141  1361.16   98.997  1301.86  129.563  1444.33  153.455  316.039   16.474  330.995   18.641 -14.95599 24.87755 
1 1 1    9  -10   27 o  249.762   16.009  818.176   99.321  935.631  140.289  700.144  140.633  262.105   21.627  222.744   25.758 39.36148 33.63353 
1 1 1    9  -10   28 o  128.352   11.713  213.451   37.129  228.487   43.307  171.735   72.133  132.153   13.304  107.142   26.977 25.01078 30.07929 
1 1 1    9  -10   29 o  176.680   11.602  404.893   50.904  440.454   60.676  320.379   93.539  183.212   13.354  146.121   26.615 37.09047 29.77762 
1 1 1    9  -10   30 o  176.019   12.009  405.141   52.471  466.016   62.563  260.780   96.344  187.790   13.430  125.704   30.908 62.08617 33.69981 
1 1 1    9  -10   31 o  209.150   21.169  631.703  109.042  631.703  109.042   0.0000   0.0000  209.150   21.169  ?   ?  0.000000 21.16943 
1 1 1    9  -10   32 f   85.646   15.318  101.878   31.559  114.531   35.688   56.483   67.598   90.270   16.437   65.743   26.582 24.52732 31.25322 
1 1 1    9  -10   33 o  108.087   14.111  160.232   37.178  178.788   42.983  105.117   74.080  113.156   15.629   77.722   28.772 35.43369 32.74309 
1 1 1    9  -10   34 o   34.390   15.175  -1.7332   25.492   18.057   27.999 -97.6434   61.638   42.770   17.172   37.390   18.436 5.379639 25.19473 
1 1 1    9   -9    0 o  536.201   17.142  3604.95  229.534  3544.98  324.699  3664.85  324.522  530.563   24.507  539.537   24.086 -8.973511 34.36214 
1 1 1    9   -9    1 o  350.883   12.188  1540.62  106.793  1691.70  151.618  1391.87  150.444  367.349   16.528  332.579   18.184 34.77017 24.57268 
1 1 1    9   -9    2 o  532.169   16.785  3551.32  223.057  3757.52  316.089  3346.79  314.814  546.339   23.168  515.374   24.461 30.96533 33.69177 
1 1 1    9   -9    3 o  332.026   11.942  1379.62   99.013  1366.25  140.266  1392.91  139.787  329.580   17.102  332.820   16.874 -3.239685 24.02525 
1 1 1    9   -9    4 o  661.328   20.704  5500.80  341.922  5323.06  483.450  5678.69  483.651  648.009   29.876  669.622   28.924 -21.61267 41.58291 
1 1 1    9   -9    5 f  348.490   12.131  1520.49  105.568  1631.30  149.914  1411.49  148.686  360.533   16.651  334.770   17.850 25.76300 24.41089 
1 1 1    9   -9    6 o  376.669   18.611  1783.99  175.053  1749.04  247.648  1818.89  247.478  370.609   26.943  378.125   26.374 -7.515747 37.70323 
1 1 1    9   -9    7 o  283.453   15.645  1011.78  110.311  1051.09  156.557  973.032  155.456  287.761   21.952  276.649   22.703 11.11188 31.58019 
1 1 1    9   -9    8 o  470.076   15.207  2775.28  178.512  2875.61  252.697  2675.34  252.213  477.179   21.206  460.076   21.953 17.10339 30.52267 
1 1 1    9   -9    9 o  405.995   13.724  2069.23  139.143  2032.81  196.680  2105.72  196.875  401.277   19.628  408.484   19.300 -7.206665 27.52715 
1 1 1    9   -9   10 o  365.864   12.290  1679.56  112.287  1559.16  158.486  1800.92  159.110  351.038   18.142  378.034   16.854 -26.99649 24.76266 
1 1 1    9   -9   11 o  134.845   8.7261  228.622   29.226  207.635   40.652  251.075   42.047  127.922   12.902  140.915   12.065 -12.99287 17.66454 
1 1 1    9   -9   12 f  184.973   9.0129  428.680   41.632  436.454   58.249  420.563   59.524  185.916   12.621  182.397   13.157 3.519699 18.23171 
1 1 1    9   -9   13 o  354.194   16.573  1586.98  146.584  1244.77  205.274  1943.05  209.389  309.419   26.832  389.601   21.607 -80.18176 34.45028 
1 1 1    9   -9   14 o  210.855   10.954  560.135   57.481  505.403   69.418  679.508  102.520  199.679   14.010  230.663   17.939 -30.98457 22.76215 
1 1 1    9   -9   15 o  377.350   12.681  1794.39  119.494  1693.19  167.951  1898.13  170.048  364.221   18.527  386.457   17.621 -22.23636 25.56813 
1 1 1    9   -9   16 o  284.876   10.818  1020.56   76.956  974.487  107.264  1069.43  110.473  276.898   15.576  290.201   15.298 -13.30270 21.83219 
1 1 1    9   -9   17 f  422.252   14.429  2256.16  152.145  2229.70  213.880  2283.27  216.475  416.936   20.542  421.912   20.546 -4.975952 29.05413 
1 1 1    9   -9   18 o  247.170   10.323  768.303   63.720  734.474   87.742  806.054   92.688  240.358   14.689  251.803   14.806 -11.44441 20.85583 
1 1 1    9   -9   19 o  159.800   13.483  325.116   53.300  358.990   74.942  290.444   75.821  166.681   18.306  148.913   20.970 17.76814 27.83648 
1 1 1    9   -9   20 o   72.662   12.064   68.345   21.122   63.488   25.058   80.266   39.260   69.462   14.893   77.603   20.099 -8.141022 25.01546 
1 1 1    9   -9   21 o  204.299   10.133  525.234   51.694  490.122   68.456  571.824   78.855  196.164   14.068  211.679   15.015 -15.51556 20.57584 
1 1 1    9   -9   22 o  234.669   10.761  694.052   63.058  700.067   83.986  686.280   95.469  234.400   14.418  231.305   16.639 3.095032 22.01711 
1 1 1    9   -9   23 o  197.449   10.420  492.684   51.195  535.550   66.076  428.303   80.978  205.226   12.960  181.836   18.073 23.38950 22.23926 
1 1 1    9   -9   24 o  144.058   15.094  267.413   53.491  249.124   58.131  368.463  136.638  138.350   17.197  160.160   35.130 -21.81010 39.11346 
1 1 1    9   -9   25 o  121.265   11.043  187.499   33.074  198.530   39.369  161.040   60.973  124.362   12.863  108.627   23.184 15.73480 26.51291 
1 1 1    9   -9   26 o  160.542   10.540  327.690   42.019  329.187   51.158  324.585   73.668  160.202   12.897  156.586   19.245 3.615799 23.16660 
1 1 1    9   -9   27 o  158.743   11.107  321.999   43.752  333.418   52.771  296.887   78.255  160.776   13.262  147.686   21.881 13.09073 25.58636 
1 1 1    9   -9   28 o  248.336   15.942  808.417   98.343  841.075  138.427  775.138  139.739  247.505   22.648  236.235   24.022 11.27043 33.01477 
1 1 1    9   -9   29 o  185.141   11.459  441.756   52.720  464.460   63.000  388.711   96.296  188.760   13.453  165.276   24.036 23.48375 27.54507 
1 1 1    9   -9   30 o  293.732   13.698  1129.34  100.474  1203.75  122.004  972.528  177.118  299.984   16.348  253.208   28.507 46.77652 32.86225 
1 1 1    9   -9   31 o  140.496   11.916  258.402   41.412  272.412   48.380  220.004   80.093  143.242   13.692  118.355   27.606 24.88737 30.81479 
1 1 1    9   -9   32 o  175.949   12.308  407.590   53.740  428.805   63.833  355.958   99.582  178.803   14.419  150.084   27.587 28.71938 31.12772 
1 1 1    9   -9   33 o   77.174   18.097   86.139   34.271   86.139   34.271   0.0000   0.0000   77.174   18.097  ?   ?  0.000000 18.09688 
1 1 1    9   -9   34 o  160.601   12.465  344.985   49.600  379.286   58.468  256.928   93.680  166.852   14.166  118.619   31.206 48.23329 34.27086 
1 1 1    9   -9   35 o   43.622   19.673  -4.2362   45.354 -29.6661   65.756   18.839   62.637   46.705   21.971   53.952   23.799 -7.246883 32.38980 
1 1 1    9   -8    0 o  510.248   16.521  3262.80  210.513  3205.91  297.776  3319.63  297.644  504.808   23.622  513.751   23.200 -8.943726 33.10961 
1 1 1    9   -8    1 o  400.559   13.269  2008.21  132.725  1946.95  187.853  2069.27  187.550  393.890   19.098  406.138   18.492 -12.24884 26.58398 
1 1 1    9   -8    2 o  333.429   12.077  1390.99  100.559  1329.49  142.365  1452.23  142.060  325.128   17.600  340.368   16.714 -15.24008 24.27168 
1 1 1    9   -8    3 o  306.883   11.561  1178.19   88.599  1155.05  125.621  1201.09  124.977  303.082   16.662  309.134   16.246 -6.051575 23.27142 
1 1 1    9   -8    4 o  132.237   8.7945  219.560   28.876  227.647   41.690  212.102   40.033  134.279   12.579  129.579   12.528 4.699982 17.75377 
1 1 1    9   -8    5 o  430.981   14.431  2327.03  155.308  2326.75  219.805  2327.32  219.474  430.222   20.459  430.280   20.426 -0.5764771E-01 28.91031 
1 1 1    9   -8    6 o  225.565   9.8594  636.356   55.536  630.957   79.276  641.559   77.823  223.951   14.250  225.877   13.864 -1.925888 19.88125 
1 1 1    9   -8    7 o  978.011   29.965 12148.57  731.824 11889.12  1034.76 12408.21  1035.15  958.782   43.218  980.210   42.290 -21.42828 60.46691 
1 1 1    9   -8    8 f  659.208   29.365  5526.47  483.389  5840.86  684.404  5213.54  682.829  670.780   41.056  632.115   43.523 38.66479 59.83193 
1 1 1    9   -8    9 o  342.236   17.424  1476.89  148.417  1607.69  210.382  1347.30  209.407  355.631   23.827  324.845   26.033 30.78622 35.29135 
1 1 1    9   -8   10 o  195.766   9.2171  479.628   45.059  454.440   63.538  505.112   63.909  189.832   13.491  200.273   12.847 -10.44116 18.62924 
1 1 1    9   -8   11 o  241.044   9.7691  727.625   58.803  656.968   82.789  799.565   83.537  228.165   14.607  252.010   13.322 -23.84554 19.76930 
1 1 1    9   -8   12 o  315.094   11.383  1245.41   89.565  1236.80  126.334  1254.11  126.996  312.848   16.227  315.043   16.197 -2.194855 22.92715 
1 1 1    9   -8   13 o  210.720   11.330  558.919   59.403  551.344  103.749  562.614   72.455  207.452   20.287  211.005   13.827 -3.552658 24.55070 
1 1 1    9   -8   14 o  158.370   10.127  315.918   39.839  286.795   47.447  385.519   73.350  150.463   12.748  173.728   17.131 -23.26546 21.35311 
1 1 1    9   -8   15 o  199.132   13.197  501.703   65.254  495.263   89.327  509.072   95.555  196.631   18.406  199.082   19.470 -2.451660 26.79297 
1 1 1    9   -8   16 f  187.984   9.2644  443.364   43.490  426.474   59.918  462.169   63.224  183.461   13.166  190.985   13.340 -7.524033 18.74330 
1 1 1    9   -8   17 o  378.174   13.099  1804.08  123.701  1730.74  173.601  1879.73  176.311  367.903   18.960  384.128   18.380 -16.22498 26.40706 
1 1 1    9   -8   18 o  258.281   10.619  838.873   68.491  811.889   94.854  868.268   99.000  252.749   15.098  261.364   15.234 -8.615784 21.44815 
1 1 1    9   -8   19 o  122.123   8.7919  188.123   26.633  169.931   33.918  217.372   43.008  115.520   11.930  130.512   13.386 -14.99239 17.93027 
1 1 1    9   -8   20 o  366.932   12.977  1700.60  118.912  1699.11  166.039  1702.17  170.377  364.741   18.230  364.369   18.789 0.3712769 26.17897 
1 1 1    9   -8   21 o  164.515   13.570  344.617   55.253  329.872   77.396  359.942   78.904  159.169   19.907  166.548   19.331 -7.379059 27.74897 
1 1 1    9   -8   22 f  385.523   13.607  1881.56  131.000  1855.73  181.925  1909.37  188.789  379.827   19.243  385.020   19.702 -5.192932 27.53991 
1 1 1    9   -8   23 o  260.548   11.215  856.096   72.971  885.604   98.234  819.766  108.997  263.574   14.987  252.658   17.381 10.91621 22.95016 
1 1 1    9   -8   24 o   68.084   13.403   60.734   21.976   54.527   24.922   82.433   46.598   64.164   15.686   78.553   22.564 -14.38921 27.48006 
1 1 1    9   -8   25 o   93.619   16.321  115.176   36.768  112.227   38.256  150.897  133.143   92.138   17.261  107.068   38.741 -14.92959 42.41280 
1 1 1    9   -8   26 o  234.052   11.168  693.146   65.276  680.656   82.996  713.401  105.692  230.471   14.495  234.265   18.210 -3.794022 23.27449 
1 1 1    9   -8   27 o  339.500   13.080  1470.42  110.887  1523.56  147.129  1400.55  168.714  342.509   17.257  325.474   20.868 17.03470 27.07926 
1 1 1    9   -8   28 o  179.454   11.433  411.633   50.966  436.745   60.821  352.421   93.394  184.120   13.318  159.755   24.165 24.36418 27.59244 
1 1 1    9   -8   29 o  124.500   11.728  199.997   36.033  219.070   42.143  148.152   69.481  129.814   13.183  100.563   27.069 29.25143 30.10867 
1 1 1    9   -8   30 o   46.215   18.966   13.585   35.032   41.280   47.859 -18.3837   51.419   60.327   22.956   46.014   20.831 14.31300 30.99808 
1 1 1    9   -8   31 o   63.058   15.539   54.674   24.311   49.103   27.075   77.864   55.238   59.644   17.219   73.662   25.084 -14.01886 30.42486 
1 1 1    9   -8   32 o  149.352   11.776  291.421   43.562  318.614   51.544  223.441   81.498  155.190   13.433  119.114   27.890 36.07568 30.95649 
1 1 1    9   -8   33 o  202.056   12.085  535.809   60.699  552.633   72.658  496.945  110.435  203.156   14.416  180.967   25.115 22.18871 28.95774 
1 1 1    9   -8   34 o   98.447   20.510  143.236   48.785  143.236   48.785   0.0000   0.0000   98.447   20.510  ?   ?  0.000000 20.50967 
1 1 1    9   -8   35 o  124.690   15.784  216.902   48.047  216.902   48.047   0.0000   0.0000  124.690   15.784  ?   ?  0.000000 15.78416 
1 1 1    9   -8   36 o   50.398   18.185   34.701   29.307   28.260   32.713   60.886   65.959   48.401   18.832   64.034   26.122 -15.63324 32.20209 
1 1 1    9   -7    0 o   99.271   12.509  125.242   30.322  150.431   42.979  100.279   42.785  108.366   16.394   87.656   19.989 20.70910 25.85233 
1 1 1    9   -7    1 o  385.766   18.707  1866.76  180.212  1878.88  254.927  1854.65  254.788  385.203   26.666  382.665   26.833 2.537689 37.82943 
1 1 1    9   -7    2 o  262.186   12.162  860.014   79.631  880.644   98.114  820.195  136.309  264.764   14.900  254.594   21.645 10.17018 26.27819 
1 1 1    9   -7    3 o  223.392   9.8806  623.934   55.119  580.944   78.250  666.272   77.653  214.889   14.670  230.313   13.562 -15.42412 19.97791 
1 1 1    9   -7    4 o  313.907   11.592  1232.68   90.870  1225.41  128.875  1239.86  128.147  312.234   16.588  314.099   16.395 -1.865021 23.32268 
1 1 1    9   -7    5 o  270.492   10.772  915.110   72.764  869.449  103.084  960.453  102.725  262.933   15.773  276.495   14.933 -13.56201 21.72042 
1 1 1    9   -7    6 o  375.529   12.975  1765.41  121.672  1745.66  172.261  1785.07  171.880  372.919   18.498  377.132   18.251 -4.212524 25.98577 
1 1 1    9   -7    7 o  326.191   11.916  1331.66   97.063  1339.55  137.641  1323.86  136.898  326.326   16.949  324.402   16.958 1.923950 23.97575 
1 1 1    9   -7    8 o  409.204   13.792  2098.04  140.933  2120.31  199.544  2075.88  199.075  410.663   19.458  406.315   19.620 4.348480 27.63279 
1 1 1    9   -7    9 o  147.379   9.0919  272.692   33.298  279.695   47.527  265.940   46.666  148.860   12.913  145.112   13.016 3.747253 18.33494 
1 1 1    9   -7   10 o  185.580   13.326  433.988   61.343  467.181   87.366  401.711   86.151  191.808   18.468  177.495   19.773 14.31366 27.05631 
1 1 1    9   -7   11 o  183.906   13.265  426.430   60.511  431.978   84.950  420.716   86.215  184.225   18.726  181.676   19.299 2.549500 26.89064 
1 1 1    9   -7   12 o  145.088   12.634  266.079   45.317   0.0000   0.0000  266.079   45.317  ?   ?   145.088   12.634 0.000000 12.63381 
1 1 1    9   -7   13 o  275.065   14.977  954.834  102.491  954.834  102.491   0.0000   0.0000  275.065   14.977  ?   ?  0.000000 14.97742 
1 1 1    9   -7   14 o  548.455   17.052  3799.57  233.548  3393.65  329.369  4210.04  331.212  514.613   25.630  574.573   23.084 -59.95959 34.49308 
1 1 1    9   -7   15 o  196.355   9.0119  483.176   44.189  436.435   61.236  533.959   63.828  185.751   13.289  205.697   12.485 -19.94630 18.23423 
1 1 1    9   -7   16 o  436.626   14.188  2404.70  154.699  2315.24  217.993  2495.46  219.571  426.091   20.488  442.641   19.864 -16.54971 28.53643 
1 1 1    9   -7   17 o  184.814   12.499  432.076   57.345  380.863   76.523  497.673   86.605  172.210   18.063  197.168   17.781 -24.95731 25.34656 
1 1 1    9   -7   18 o  161.205   9.1262  327.096   36.588  310.016   49.323  347.996   54.558  156.320   12.746  165.565   13.308 -9.244812 18.42762 
1 1 1    9   -7   19 o  289.801   10.587  1055.94   76.618  979.778  106.400  1137.97  110.420  277.673   15.405  299.872   14.746 -22.19888 21.32476 
1 1 1    9   -7   20 o  351.245   12.316  1555.65  108.024  1476.44  150.854  1639.00  154.759  339.931   17.833  358.840   17.271 -18.90884 24.82536 
1 1 1    9   -7   21 o  293.760   11.412  1086.96   83.716  1055.06  115.592  1122.15  121.406  287.732   16.153  296.654   16.453 -8.921783 23.05681 
1 1 1    9   -7   22 o  335.407   17.606  1438.92  146.951  1444.13  207.586  1433.69  208.056  331.908   25.235  330.602   25.395 1.306152 35.80098 
1 1 1    9   -7   23 o  260.398   11.322  854.644   73.621  918.196   99.296  777.058  109.713  268.608   14.861  245.938   17.989 22.67004 23.33368 
1 1 1    9   -7   24 o  126.048   10.022  201.170   31.286  198.188   38.102  207.340   54.817  124.645   12.406  126.133   17.906 -1.488106 21.78380 
1 1 1    9   -7   25 o   81.671   11.997   86.018   23.738   91.799   27.321   68.210   47.952   84.104   13.463   72.757   23.316 11.34753 26.92323 
1 1 1    9   -7   26 o  203.064   10.357  521.334   52.347  525.068   66.070  515.036   85.793  203.042   13.101  199.605   17.386 3.437225 21.76885 
1 1 1    9   -7   27 o  237.025   16.418  724.909   96.577  658.401  111.025  931.729  195.785  224.062   20.055  258.956   30.886 -34.89429 36.82558 
1 1 1    9   -7   28 o  256.221   12.359  835.708   79.079  845.924   95.511  813.438  141.014  256.229   14.992  246.026   23.227 10.20334 27.64557 
1 1 1    9   -7   29 o  157.848   11.242  318.622   44.022  318.715   51.842  318.382   83.352  157.122   13.339  152.599   22.553 4.522339 26.20202 
1 1 1    9   -7   30 o   76.686   14.535   78.524   26.816  104.420   30.289 -15.3778   57.677   88.859   14.122   49.875   22.364 38.98476 26.45005 
1 1 1    9   -7   31 o   48.591   19.159   21.272   34.238   22.412   47.260   20.013   49.671   54.110   22.097   54.314   22.467 -0.2035866 31.51229 
1 1 1    9   -7   32 o   88.837   13.974  105.584   29.977  113.561   34.571   81.409   60.180   91.448   15.704   75.172   26.158 16.27671 30.50969 
1 1 1    9   -7   33 o   71.609   15.628   70.863   27.161   76.012   30.660   52.083   58.551   73.670   17.010   64.841   25.203 8.828781 30.40620 
1 1 1    9   -7   34 o   82.726   17.812   97.107   35.707   94.345   43.092  103.158   63.784   79.753   21.253   80.768   26.957 -1.014984 34.32730 
1 1 1    9   -7   35 o  158.564   15.010  342.384   58.728  342.384   58.728   0.0000   0.0000  158.564   15.010  ?   ?  0.000000 15.01044 
1 1 1    9   -7   36 o  114.477   14.365  179.998   40.160  215.064   45.900   65.521   82.934  124.720   15.041   68.379   28.714 56.34175 32.41470 
1 1 1    9   -7   37 o   89.203   16.093  114.260   34.530  105.473   39.504  142.710   71.082   83.225   19.371   87.642   28.419 -4.417534 34.39285 
1 1 1    9   -6    0 o  202.978   9.2488  515.002   46.880  493.441   66.487  536.320   66.111  198.100   13.521  206.630   12.876 -8.530075 18.67121 
1 1 1    9   -6    1 o  637.968   19.843  5108.09  316.116  5119.81  447.131  5096.38  446.981  637.052   28.107  635.580   28.162 1.472046 39.78817 
1 1 1    9   -6    2 o  327.391   11.749  1340.73   96.058  1359.80  136.045  1321.77  135.649  328.998   16.613  324.330   16.806 4.667908 23.63138 
1 1 1    9   -6    3 o  162.053   12.191  330.391   48.974  352.672   69.793  308.777   68.738  166.891   16.983  155.902   17.986 10.98965 24.73707 
1 1 1    9   -6    4 o  359.919   17.782  1624.35  159.826  1613.40  226.215  1635.26  225.841  357.010   25.543  359.476   25.320 -2.465149 35.96592 
1 1 1    9   -6    5 o  186.176   9.1020  433.276   42.317  459.058   60.491  408.566   59.219  191.107   12.749  180.190   13.254 10.91733 18.38993 
1 1 1    9   -6    6 o  169.795   9.2023  361.466   38.873  340.237   55.391  382.069   54.568  164.296   13.624  174.276   12.624 -9.980103 18.57358 
1 1 1    9   -6    7 o  399.694   13.722  2000.37  136.958  1920.83  193.795  2079.73  193.580  390.552   19.937  407.011   19.046 -16.45908 27.57242 
1 1 1    9   -6    8 o  299.840   11.244  1124.83   84.188  1145.33  119.429  1104.59  118.694  301.837   15.901  296.379   16.098 5.457306 22.62683 
1 1 1    9   -6    9 o  110.746   8.9794  154.360   24.619  164.812   35.462  144.636   34.205  114.032   12.668  106.670   13.117 7.361687 18.23537 
1 1 1    9   -6   10 o  140.420   8.7670  247.528   30.588  234.452   43.445  260.383   43.074  136.197   12.929  143.693   12.117 -7.496368 17.71947 
1 1 1    9   -6   11 o  460.665   15.032  2663.21  172.921  2442.42  244.266  2885.02  244.828  439.260   22.342  478.422   20.493 -39.16159 30.31704 
1 1 1    9   -6   12 o  454.151   21.431  2605.80  243.044  2584.75  343.879  2626.81  343.553  448.509   30.892  452.278   30.599 -3.769165 43.48055 
1 1 1    9   -6   13 o  485.611   18.031  2972.86  218.651  2886.02  267.331  3148.33  380.025  477.217   22.433  494.275   30.945 -17.05783 38.22051 
1 1 1    9   -6   14 o  610.688   19.082  4714.57  291.006  4432.93  410.919  4997.92  412.173  588.015   27.984  625.265   26.398 -37.24915 38.47031 
1 1 1    9   -6   15 o  277.729   10.391  967.188   72.064  857.093  101.096  1080.92  102.752  260.294   15.626  293.091   14.039 -32.79645 21.00595 
1 1 1    9   -6   16 o  234.783   9.8016  691.237   57.467  660.148   80.282  723.904   82.295  228.486   14.140  239.369   13.826 -10.88271 19.77648 
1 1 1    9   -6   17 o   79.458   9.7217   80.372   18.888   82.367   24.349   77.359   29.928   79.952   12.614   76.813   16.116 3.139137 20.46580 
1 1 1    9   -6   18 o  170.062   11.924  365.658   50.319  299.232   65.830  459.017   78.043  152.561   17.602  189.607   16.651 -37.04622 24.23040 
1 1 1    9   -6   19 o  271.437   10.041  925.337   68.061  799.435   94.220  1062.72   98.423  250.938   15.106  290.188   13.582 -39.25084 20.31427 
1 1 1    9   -6   20 o  171.276   9.3815  369.341   39.973  365.666   53.864  373.846   59.636  169.814   12.796  171.447   14.053 -1.632538 19.00572 
1 1 1    9   -6   21 o  298.194   11.555  1119.76   86.044  1092.13  119.299  1149.71  124.220  292.808   16.381  300.360   16.626 -7.552673 23.34046 
1 1 1    9   -6   22 o   96.774   10.548  119.162   25.077  127.653   31.093  103.358   42.417   99.787   12.771   88.182   19.753 11.60471 23.52138 
1 1 1    9   -6   23 o   91.324   10.377  106.231   23.246  101.026   27.857  118.164   42.182   88.530   12.987   94.627   18.514 -6.096703 22.61477 
1 1 1    9   -6   24 o  361.885   18.602  1680.43  167.536  1646.47  236.135  1714.86  237.736  353.019   26.991  360.601   26.588 -7.582031 37.88732 
1 1 1    9   -6   25 o  226.665   10.523  646.987   59.561  634.823   77.989  664.011   92.261  223.362   14.054  227.722   16.333 -4.359772 21.54679 
1 1 1    9   -6   26 o   70.223   13.359   64.486   22.570   67.268   25.433   54.173   48.962   71.493   14.736   67.482   23.588 4.010979 27.81209 
1 1 1    9   -6   27 f  309.128   11.987  1209.21   92.537  1184.58  122.587  1241.84  141.089  303.897   16.212  310.055   18.303 -6.158783 24.45098 
1 1 1    9   -6   28 o  306.141   11.939  1188.32   91.271  1117.77  118.951  1289.32  142.324  294.610   16.231  315.284   18.154 -20.67459 24.35166 
1 1 1    9   -6   29 o  282.106   22.916  1066.82  160.042  1066.82  160.042   0.0000   0.0000  282.106   22.916  ?   ?  0.000000 22.91615 
1 1 1    9   -6   30 o  212.500   11.602  577.235   61.334  586.270   73.822  557.097  110.209  213.069   13.952  202.715   22.131 10.35332 26.16120 
1 1 1    9   -6   31 o   90.161   13.073  106.681   28.574  119.062   32.379   63.095   60.752   94.996   14.075   70.926   26.092 24.06944 29.64636 
1 1 1    9   -6   32 o   49.920   15.855   32.682   22.212   41.255   24.783  -2.3261   50.080   55.319   16.609   48.772   21.404 6.546997 27.09255 
1 1 1    9   -6   33 o  105.749   17.971  154.418   45.758  170.855   64.248  137.497   65.187  107.249   24.523   94.830   26.501 12.41926 36.10645 
1 1 1    9   -6   34 o   98.020   19.821  137.176   46.849  193.667   68.907   88.616   63.886  113.038   25.068   76.842   26.939 36.19651 36.79816 
1 1 1    9   -6   35 o   59.613   17.276   50.088   27.208   50.935   30.433   46.717   60.729   60.036   18.484   63.046   25.299 -3.010292 31.33196 
1 1 1    9   -6   36 f   73.466   17.320   77.426   31.257   87.907   35.579   41.974   65.437   77.705   18.586   61.846   25.702 15.85957 31.71744 
1 1 1    9   -6   37 o  137.236   20.710  281.259   68.765  281.259   68.765   0.0000   0.0000  137.236   20.710  ?   ?  0.000000 20.70984 
1 1 1    9   -5    0 o  836.351   25.407  8808.90  530.637  9066.02  750.804  8552.29  750.064  845.008   35.581  820.316   36.616 24.69257 51.05577 
1 1 1    9   -5    1 o  467.103   15.287  2732.68  178.312  2654.00  252.159  2811.38  252.185  459.575   21.972  473.089   21.346 -13.51431 30.63388 
1 1 1    9   -5    2 o  620.358   19.396  4828.93  300.471  4717.40  424.868  4940.52  424.991  611.560   27.820  625.998   27.187 -14.43756 38.89849 
1 1 1    9   -5    3 o  265.059   10.478  878.476   69.357  841.804   98.239  914.919   97.932  258.812   15.268  269.929   14.583 -11.11667 21.11304 
1 1 1    9   -5    4 o  509.497   16.465  3252.73  209.490  3152.68  296.260  3352.79  296.267  500.649   23.697  516.407   22.974 -15.75757 33.00529 
1 1 1    9   -5    5 o  527.700   24.020  3503.57  316.533  3418.38  447.653  3588.76  447.636  517.972   34.811  531.041   33.933 -13.06830 48.61316 
1 1 1    9   -5    6 o  508.039   23.202  3246.23  294.358  3031.44  416.097  3461.41  416.474  487.682   34.387  521.935   32.109 -34.25296 47.04794 
1 1 1    9   -5    7 o  306.189   11.551  1172.78   88.323  1137.01  125.043  1208.39  124.774  300.716   16.717  310.108   16.168 -9.392548 23.25704 
1 1 1    9   -5    8 o  511.917   16.579  3285.34  211.937  3113.06  299.642  3457.81  299.808  497.190   24.134  524.220   22.902 -27.03033 33.27108 
1 1 1    9   -5    9 o  185.598   9.1468  430.670   42.393  472.550   60.168  389.385   59.740  193.903   12.493  175.804   13.716 18.09848 18.55255 
1 1 1    9   -5   10 o  412.276   13.903  2129.36  143.135  2085.03  202.523  2173.60  202.324  407.249   19.914  415.868   19.482 -8.619934 27.85928 
1 1 1    9   -5   11 o  320.170   16.799  1290.44  133.843   0.0000   0.0000  1290.44  133.843  ?   ?   320.170   16.799 0.000000 16.79900 
1 1 1    9   -5   12 o  300.189   15.961  1134.67  119.220  1134.67  119.220   0.0000   0.0000  300.189   15.961  ?   ?  0.000000 15.96121 
1 1 1    9   -5   13 o  285.463   10.784  1020.48   76.875  943.761  108.412  1098.08  109.025  273.589   15.937  295.735   14.763 -22.14645 21.72419 
1 1 1    9   -5   14 o  193.620   13.311  472.711   63.970  471.465   90.231  473.970   90.706  192.387   19.031  192.892   19.081 -0.5054321 26.94929 
1 1 1    9   -5   15 o  425.444   13.866  2274.78  147.314  2122.40  207.757  2428.85  208.915  409.424   20.320  438.344   19.086 -28.91977 27.87785 
1 1 1    9   -5   16 o  133.152   8.4855  222.888   28.068  195.230   38.448  254.446   41.069  124.032   12.588  141.898   11.694 -17.86666 17.18158 
1 1 1    9   -5   17 f  233.219   9.7195  681.995   56.605  663.130   78.929  701.972   81.224  229.063   13.864  235.700   13.861 -6.636597 19.60427 
1 1 1    9   -5   18 o  163.459   8.7115  335.814   35.431  328.371   48.319  344.472   52.110  161.139   12.096  164.949   12.750 -3.810928 17.57480 
1 1 1    9   -5   19 o  106.572   8.7112  143.332   22.980  114.031   29.573  187.990   36.510   94.290   12.898  121.621   12.185 -27.33074 17.74376 
1 1 1    9   -5   20 o  189.870   13.261  456.826   62.479  445.064   82.352  472.778   95.908  186.272   17.925  191.308   20.390 -5.036209 27.14897 
1 1 1    9   -5   21 o  200.224   9.4450  503.263   47.225  471.866   64.024  540.730   69.940  192.911   13.373  206.507   13.639 -13.59631 19.10135 
1 1 1    9   -5   22 o  276.509   10.761  961.630   74.305  927.355  102.448  999.675  107.935  270.138   15.249  280.433   15.473 -10.29495 21.72410 
1 1 1    9   -5   23 o  346.657   12.377  1515.51  107.140  1485.46  148.765  1547.89  154.433  341.084   17.525  348.061   17.828 -6.977234 24.99894 
1 1 1    9   -5   24 o  199.663   9.8074  501.029   48.899  518.644   64.385  477.020   75.168  202.285   12.812  193.229   15.714 9.056305 20.27514 
1 1 1    9   -5   25 o  173.568   12.423  382.209   53.490  346.867   82.062  408.318   70.533  163.026   20.618  178.525   15.991 -15.49892 26.09258 
1 1 1    9   -5   26 o  120.967   10.894  185.823   32.556  184.865   37.831  188.558   63.919  120.273   12.792  118.884   22.351 1.389946 25.75299 
1 1 1    9   -5   27 o  306.818   11.994  1189.53   91.892  1190.04  122.138  1188.87  139.495  305.041   16.091  303.750   18.478 1.290497 24.50229 
1 1 1    9   -5   28 o  205.483   10.472  533.990   53.554  546.739   67.234  511.862   88.579  207.204   13.061  198.698   18.049 8.505341 22.27885 
1 1 1    9   -5   29 o  338.096   14.311  1459.61  120.826  1545.82  147.254  1281.96  211.379  346.347   17.026  306.532   27.921 39.81525 32.70213 
1 1 1    9   -5   30 o  112.856   17.649  169.007   48.110  169.007   48.110   0.0000   0.0000  112.856   17.649  ?   ?  0.000000 17.64897 
1 1 1    9   -5   31 o  127.355   11.909  208.760   37.434  236.686   43.818  133.322   72.019  135.249   13.140   95.966   28.192 39.28291 31.10401 
1 1 1    9   -5   32 o  117.703   12.049  179.474   34.916  188.652   40.543  153.120   68.700  120.059   13.772  102.119   26.655 17.94048 30.00280 
1 1 1    9   -5   33 o   58.596   16.220   46.882   24.542   36.300   27.380   90.138   55.358   52.938   17.661   78.898   25.027 -25.95992 30.63130 
1 1 1    9   -5   34 o   30.632   14.871 -55.3438   35.704 -54.6349   46.357 -56.3776   55.980   36.896   17.666   41.461   19.730 -4.564919 26.48274 
1 1 1    9   -5   35 o   45.236   16.509   23.948   24.251   23.723   26.998   24.888   55.182   46.138   17.312   56.437   23.540 -10.29838 29.22074 
1 1 1    9   -5   36 o   76.337   16.361   81.613   30.251   92.942   34.435   43.302   63.324   80.999   17.533   62.634   25.578 18.36444 31.00987 
1 1 1    9   -5   37 o  148.525   12.660  293.808   46.507  326.362   55.604  218.002   84.850  155.091   14.526  112.456   29.754 42.63457 33.11034 
1 1 1    9   -5   38 o   77.760   19.920   91.600   38.853   98.319   45.550   73.657   74.435   79.056   22.174   69.196   27.923 9.859787 35.65650 
1 1 1    9   -4    0 o  1073.29   32.148 14588.27  861.636 14660.31  1218.62 14516.26  1218.45  1068.31   45.680  1062.90   45.906 5.409180 64.76078 
1 1 1    9   -4    1 o  305.886   11.158  1170.24   85.231  1166.11  120.619  1174.35  120.451  304.669   15.909  305.755   15.830 -1.086426 22.44284 
1 1 1    9   -4    2 o  474.737   15.121  2822.62  179.265  2800.95  253.635  2844.25  253.403  472.174   21.511  475.835   21.326 -3.661438 30.29028 
1 1 1    9   -4    3 o  332.312   11.825  1381.38   98.127  1410.62  138.947  1352.28  138.598  335.513   16.584  328.039   16.977 7.473724 23.73306 
1 1 1    9   -4    4 o  732.449   22.579  6743.15  412.986  6606.34  583.946  6880.06  584.156  722.460   32.367  737.472   31.720 -15.01263 45.31892 
1 1 1    9   -4    5 f  471.015   15.454  2778.68  181.768  2712.82  257.119  2844.48  256.999  464.639   22.160  475.852   21.628 -11.21295 30.96467 
1 1 1    9   -4    6 o  530.980   16.930  3533.53  224.483  3522.96  317.628  3544.08  317.307  529.179   24.036  530.779   23.940 -1.599426 33.92401 
1 1 1    9   -4    7 o  170.116   9.1797  362.797   38.852  347.454   55.488  377.553   54.417  166.069   13.497  173.245   12.666 -7.176437 18.50945 
1 1 1    9   -4    8 o  286.883   15.377  1033.91  109.762  1046.99  155.635  1020.96  154.821  287.818   21.816  284.169   21.989 3.648682 30.97491 
1 1 1    9   -4    9 o  319.776   12.034  1279.46   96.098  1198.85  135.969  1359.91  135.837  308.659   17.715  328.952   16.590 -20.29239 24.26979 
1 1 1    9   -4   10 o  272.461   10.690  928.544   72.736  829.151  102.890  1027.84  102.838  256.674   16.135  286.087   14.441 -29.41373 21.65366 
1 1 1    9   -4   11 o  324.372   11.850  1316.89   95.990  1246.40  135.796  1387.28  135.706  314.670   17.348  332.569   16.341 -17.89987 23.83240 
1 1 1    9   -4   12 o  542.048   17.132  3689.37  231.896  3492.12  327.716  3887.19  328.187  525.696   24.964  554.966   23.681 -29.27075 34.40921 
1 1 1    9   -4   13 o  169.622   8.9636  360.880   37.833  383.029   53.455  338.650   53.553  174.421   12.353  163.849   13.200 10.57195 18.07872 
1 1 1    9   -4   14 o  471.665   15.019  2793.68  176.897  2528.96  249.675  3060.51  250.669  447.211   22.357  492.493   20.382 -45.28171 30.25331 
1 1 1    9   -4   15 o  250.788   9.8851  787.558   61.907  699.072   86.988  878.368   88.123  235.393   14.875  264.201   13.401 -28.80733 20.02103 
1 1 1    9   -4   16 f   78.571   14.737   80.141   27.852   79.340   39.232   80.955   39.547   77.732   20.072   78.499   20.090 -0.7671585 28.39907 
1 1 1    9   -4   17 o  392.549   13.433  1937.73  131.681  1887.32  185.618  1988.81  186.838  385.970   19.258  396.323   18.878 -10.35291 26.96800 
1 1 1    9   -4   18 o  157.950   8.3822  313.356   32.944  283.070   45.044  348.187   48.306  149.588   12.164  166.074   11.723 -16.48579 16.89349 
1 1 1    9   -4   19 o  356.916   12.207  1602.40  108.801  1500.83  152.659  1707.26  155.106  343.534   17.857  367.163   16.917 -23.62842 24.59760 
1 1 1    9   -4   20 f   76.702   10.373   75.203   19.359   66.558   24.325   90.143   31.975   71.408   14.141   83.043   15.999 -11.63453 21.35296 
1 1 1    9   -4   21 o  232.789   9.7681  680.311   56.784  646.256   78.180  718.337   82.612  225.840   13.931  238.141   13.953 -12.30054 19.71647 
1 1 1    9   -4   22 f  233.043   13.499  687.723   78.223  595.222  103.351  811.779  119.687  215.092   19.452  251.531   19.200 -36.43889 27.33147 
1 1 1    9   -4   23 o  261.939   10.187  862.239   66.632  809.170   91.062  923.400   97.758  252.516   14.502  269.786   14.564 -17.26982 20.55299 
1 1 1    9   -4   24 o  426.512   14.561  2302.53  155.083  2253.62  216.911  2353.67  221.812  419.054   20.728  428.248   20.741 -9.193604 29.32349 
1 1 1    9   -4   25 f   99.044   10.590  124.787   25.787  113.053   30.797  152.309   47.167   93.640   13.565  107.874   18.154 -14.23414 22.66235 
1 1 1    9   -4   26 o  151.099   10.652  288.770   39.934  316.001   50.422  242.948   65.408  157.637   12.922  136.297   19.796 21.34045 23.64065 
1 1 1    9   -4   27 o  139.998   14.418  251.099   49.684  243.142   68.631  259.860   72.018  135.882   20.895  140.471   21.190 -4.588654 29.75917 
1 1 1    9   -4   28 o  178.884   10.841  404.927   48.197  449.081   60.212  326.183   80.410  187.911   12.910  157.519   20.963 30.39191 24.61905 
1 1 1    9   -4   29 o  153.161   11.153  297.905   42.362  325.750   50.242  229.424   78.791  159.810   12.694  129.758   25.225 30.05208 28.23865 
1 1 1    9   -4   30 o  200.392   11.283  510.194   56.231  525.512   67.320  474.844  102.269  202.687   13.376  188.766   22.115 13.92081 25.84507 
1 1 1    9   -4   31 o   93.788   12.527  114.021   28.605  120.454   32.544   92.170   59.977   96.027   13.982   82.050   26.053 13.97665 29.56760 
1 1 1    9   -4   32 o  124.341   18.038  206.805   54.373  206.805   54.373   0.0000   0.0000  124.341   18.038  ?   ?  0.000000 18.03790 
1 1 1    9   -4   33 o  144.510   13.566  272.300   48.381  243.015   62.090  317.560   77.190  133.709   19.142  152.029   20.884 -18.32048 28.32927 
1 1 1    9   -4   34 o   36.327   15.129   5.5292   22.745   5.5292   22.745   0.0000   0.0000   36.327   15.129  ?   ?  0.000000 15.12943 
1 1 1    9   -4   35 o  132.118   11.866  227.649   38.732  226.455   45.465  230.809   73.960  130.610   14.167  124.972   24.575 5.638039 28.36610 
1 1 1    9   -4   36 o  113.445   18.379  179.764   50.286  184.749   71.023  174.753   71.208  109.216   26.345  105.668   26.912 3.548195 37.66090 
1 1 1    9   -4   37 o  101.582   14.220  139.601   35.083  133.270   40.660  158.051   69.408   97.470   17.340   98.881   27.240 -1.411140 32.29059 
1 1 1    9   -4   38 o   96.871   15.011  129.448   35.138  115.392   40.609  171.327   70.097   89.008   18.856  101.650   27.115 -12.64259 33.02686 
1 1 1    9   -4   39 o  101.060   15.732  143.744   38.410  135.552   44.634  167.128   75.410   95.384   19.399   96.215   28.991 -0.8315659 34.88317 
1 1 1    9   -3    0 o  544.755   17.087  3720.99  232.448  3888.66  329.093  3554.05  328.370  555.810   23.711  531.166   24.756 24.64423 34.27905 
1 1 1    9   -3    1 o  277.134   10.319  960.409   71.416  956.528  101.073  964.278  100.923  275.969   14.720  277.096   14.637 -1.127930 20.75833 
1 1 1    9   -3    2 o  127.184   8.5091  203.076   26.869  219.210   38.256  187.369   37.747  131.856   11.741  121.719   12.601 10.13678 17.22341 
1 1 1    9   -3    3 o  939.899   28.596 11152.17  671.182 11324.03  949.459 10980.51  948.929  942.015   40.362  927.309   40.979 14.70624 57.51792 
1 1 1    9   -3    4 o  245.221   9.9920  751.811   61.188  718.085   86.533  785.536   86.531  239.041   14.566  250.122   13.909 -11.08156 20.14002 
1 1 1    9   -3    5 o  549.143   17.513  3780.29  240.154  3691.94  339.604  3868.68  339.653  541.549   25.112  554.463   24.531 -12.91455 35.10532 
1 1 1    9   -3    6 o  943.776   28.064 11234.70  661.398 11517.18  935.877 10952.84  934.839  950.915   39.412  926.867   40.390 24.04846 56.43232 
1 1 1    9   -3    7 o  226.315   9.3745  640.241   52.980  679.842   75.379  601.582   74.478  232.724   13.023  218.808   13.700 13.91554 18.90176 
1 1 1    9   -3    8 o  149.676   9.0217  281.037   33.563  258.673   47.804  302.776   47.133  143.127   13.536  155.085   12.270 -11.95827 18.26964 
1 1 1    9   -3    9 o  182.950   9.3388  419.499   42.523  388.295   60.520  449.924   59.760  175.569   13.918  189.193   12.723 -13.62425 18.85688 
1 1 1    9   -3   10 o  916.301   58.581 11039.37  1333.42   0.0000   0.0000 11039.37  1333.42  ?   ?   916.301   58.581 0.000000 58.58109 
1 1 1    9   -3   11 o  332.828   24.177  1402.80  199.572  1402.80  199.572   0.0000   0.0000  332.828   24.177  ?   ?  0.000000 24.17716 
1 1 1    9   -3   12 o  234.881   9.8187  689.974   57.591  746.973   81.785  633.913   81.110  243.844   13.483  224.451   14.549 19.39339 19.83662 
1 1 1    9   -3   13 o  198.687   8.8471  493.649   43.896  526.445   62.176  461.059   61.980  204.678   12.220  191.406   13.045 13.27173 17.87485 
1 1 1    9   -3   14 o  399.553   13.511  2001.39  134.803  1933.79  190.465  2069.24  190.815  391.895   19.462  405.494   18.844 -13.59866 27.09033 
1 1 1    9   -3   15 o   73.117   10.282   68.239   18.255   96.910   25.153   36.328   26.536   87.148   11.867   54.323   17.338 32.82526 21.00984 
1 1 1    9   -3   16 o  502.289   16.156  3174.63  202.650  3005.40  286.073  3345.09  287.111  486.612   23.542  513.780   22.378 -27.16748 32.48076 
1 1 1    9   -3   17 o  165.012   10.419  342.601   42.713  302.930   73.431  362.887   52.510  153.550   19.597  169.570   12.488 -16.01982 23.23835 
1 1 1    9   -3   18 o   79.157   14.591   81.351   27.779   51.160   38.944  112.626   39.637   64.536   21.041   92.893   17.734 -28.35734 27.51763 
1 1 1    9   -3   19 o  326.459   12.060  1339.48   98.317  1410.12  138.283  1267.27  139.810  333.983   16.580  315.841   17.799 18.14227 24.32514 
1 1 1    9   -3   20 o  152.431   8.6193  292.113   32.675  258.470   43.792  334.365   49.077  142.802   12.403  162.595   12.175 -19.79268 17.38061 
1 1 1    9   -3   21 o  309.084   11.344  1201.07   87.555  1141.10  122.333  1264.06  125.367  299.718   16.407  315.638   15.957 -15.92038 22.88713 
1 1 1    9   -3   22 o  288.341   11.170  1045.45   80.425  1042.35  111.715  1048.80  115.876  286.527   15.673  287.246   16.221 -0.7187500 22.55540 
1 1 1    9   -3   23 o  101.349   12.249  131.226   30.371   88.099   34.076  297.861   66.981   81.797   17.227  151.995   17.997 -70.19863 24.91247 
1 1 1    9   -3   24 o   92.956   10.283  109.895   23.470  103.595   28.585  122.929   41.117   89.689   13.153   96.867   17.648 -7.177765 22.01063 
1 1 1    9   -3   25 o  107.310   10.006  145.937   26.505  148.896   32.519  140.083   45.745  108.006   12.275  103.351   18.399 4.654778 22.11794 
1 1 1    9   -3   26 o  207.655   10.009  542.032   51.903  533.109   67.890  554.584   80.519  204.991   13.335  208.505   15.577 -3.513657 20.50502 
1 1 1    9   -3   27 f  219.690   10.919  607.739   59.903  630.412   78.236  575.614   93.127  222.687   14.142  211.641   17.786 11.04578 22.72312 
1 1 1    9   -3   28 o  205.714   11.243  535.047   57.539  590.705   74.117  450.620   91.283  215.503   13.846  186.191   19.943 29.31209 24.27813 
1 1 1    9   -3   29 o   51.203   18.931   27.023   32.049   9.5856   43.166   48.441   47.841   50.183   20.866   65.028   23.260 -14.84530 31.24822 
1 1 1    9   -3   30 o  107.078   11.700  146.740   30.777  145.348   35.519  150.934   61.649  106.080   13.731  105.087   24.017 0.9932709 27.66470 
1 1 1    9   -3   31 o   80.731   13.604   85.273   26.451   83.855   30.055   90.141   55.708   79.515   15.693   81.494   24.995 -1.979225 29.51300 
1 1 1    9   -3   32 o  155.461   11.246  308.670   43.365  320.474   51.426  279.616   80.677  157.774   13.173  142.758   23.445 15.01645 26.89229 
1 1 1    9   -3   34 o   91.300   14.151  110.522   31.218  145.104   35.951   4.5040   62.947  104.886   14.082   55.799   24.252 49.08709 28.04367 
1 1 1    9   -3   35 o  166.267   11.598  357.721   47.852  401.285   57.208  256.235   87.317  175.275   13.167  130.281   27.692 44.99309 30.66282 
1 1 1    9   -3   36 o   91.736   14.254  112.916   31.594  155.364   36.795  -6.2153   61.642  108.018   13.968   52.135   23.267 55.88278 27.13792 
1 1 1    9   -3   37 o   76.930   21.770   87.199   43.704  113.461   62.284   61.727   61.340   85.315   26.472   68.041   25.965 17.27460 37.08076 
1 1 1    9   -3   38 o   48.255   17.592   28.568   27.528   49.185   31.156 -44.8133   58.777   59.029   18.781   43.613   20.594 15.41680 27.87160 
1 1 1    9   -3   39 o   90.442   16.527  115.533   35.951  117.204   41.858  110.834   70.197   89.281   19.334   80.836   28.244 8.444962 34.22744 
1 1 1    9   -2    0 o  180.114   8.6549  405.520   38.928  387.379   54.968  423.772   55.137  175.475   12.629  183.627   12.092 -8.152054 17.48415 
1 1 1    9   -2    1 o  200.553   9.1215  502.826   45.682  505.348   64.684  500.315   64.525  200.510   12.988  199.501   13.023 1.009430 18.39287 
1 1 1    9   -2    2 o  300.909   11.160  1132.59   83.855  1156.86  118.695  1108.41  118.485  303.444   15.718  296.966   16.037 6.478363 22.45506 
1 1 1    9   -2    3 o  560.347   17.798  3937.85  249.040  3991.71  352.336  3884.07  352.056  562.944   25.063  555.238   25.391 7.705811 35.67753 
1 1 1    9   -2    4 o  285.423   10.811  1018.79   77.058  1020.70  109.097  1016.90  108.855  285.047   15.384  284.514   15.378 0.5324402 21.75200 
1 1 1    9   -2    5 o  243.407   9.8951  740.710   60.146  733.406   85.133  747.988   84.985  241.628   14.171  244.043   14.004 -2.415390 19.92301 
1 1 1    9   -2    6 o  958.582   29.101 11599.13  696.597 11555.10  985.111 11643.17  985.162  951.450   41.462  955.148   41.303 -3.698242 58.52402 
1 1 1    9   -2    7 o  379.082   12.906  1798.11  122.177  1784.10  172.847  1812.10  172.723  377.191   18.351  380.153   18.194 -2.962280 25.84151 
1 1 1    9   -2    8 o  392.653   13.465  1929.55  132.026  1901.22  186.851  1957.78  186.575  389.289   19.221  395.067   18.912 -5.778015 26.96465 
1 1 1    9   -2    9 o  624.074   19.639  4887.56  306.058  4879.93  433.005  4895.17  432.657  621.995   27.878  622.980   27.811 -0.9851685 39.37793 
1 1 1    9   -2   10 o  857.024   25.983  9255.16  556.076  8818.05  785.914  9693.39  786.907  832.312   37.813  873.393   36.080 -41.08099 52.26426 
1 1 1    9   -2   11 o  266.680   10.550  889.399   70.260  850.267   99.533  928.266   99.194  260.062   15.395  271.850   14.666 -11.78839 21.26256 
1 1 1    9   -2   12 o  340.079   17.166  1454.30  145.311  1392.05  205.643  1516.37  205.359  331.374   25.036  346.156   23.903 -14.78198 34.61447 
1 1 1    9   -2   13 o  274.910   14.911  950.001  101.980  1019.14  144.611  881.603  143.836  283.943   20.533  263.721   22.043 20.22144 30.12493 
1 1 1    9   -2   14 o  640.066   19.858  5154.96  317.408  4793.37  448.456  5517.94  449.310  614.458   29.227  659.974   27.263 -45.51593 39.96806 
1 1 1    9   -2   15 o  463.131   14.928  2691.62  172.644  2451.65  243.719  2933.32  244.593  440.113   22.248  482.450   20.302 -42.33685 30.11871 
1 1 1    9   -2   16 o  611.172   19.283  4709.37  294.295  4665.29  416.015  4753.52  416.376  605.281   27.523  611.080   27.286 -5.798584 38.75629 
1 1 1    9   -2   17 o  424.819   13.729  2266.31  145.650  2112.53  205.494  2421.55  206.469  408.813   20.129  438.016   18.876 -29.20251 27.59509 
1 1 1    9   -2   18 f  106.079   9.2313  141.986   24.210  161.553   33.036  119.286   35.582  112.848   11.903   96.180   15.329 16.66767 19.40757 
1 1 1    9   -2   19 o  191.636   13.191  463.935   62.742  453.303   88.782  474.542   88.680  188.204   19.158  192.723   18.660 -4.518646 26.74352 
1 1 1    9   -2   20 o  365.214   14.540  1681.60  132.609  1608.94  161.928  1829.57  231.073  355.793   18.287  376.798   24.694 -21.00500 30.72831 
1 1 1    9   -2   21 o  207.495   9.6201  540.080   49.847  546.260   68.764  533.237   72.362  207.821   13.320  205.137   14.214 2.683975 19.47956 
1 1 1    9   -2   22 o  394.391   13.386  1960.83  131.838  1946.54  185.210  1975.52  187.711  391.074   18.965  393.929   19.082 -2.854340 26.90336 
1 1 1    9   -2   23 o   59.480   11.500   45.994   16.464   42.264   19.600   54.934   30.342   56.755   13.932   64.789   18.071 -8.033787 22.81848 
1 1 1    9   -2   24 o  107.717   9.5667  146.788   25.466  140.329   31.939  158.058   42.193  104.819   12.445  110.654   15.711 -5.835251 20.04251 
1 1 1    9   -2   25 o  124.893   14.807  200.017   45.282  229.687   52.987  119.662   87.199  133.629   16.211   96.126   31.492 37.50255 35.41946 
1 1 1    9   -2   26 o  102.423   10.853  133.412   27.335  126.509   33.549  147.048   47.150   99.112   13.940  105.929   18.498 -6.816376 23.16223 
1 1 1    9   -2   27 o  245.855   11.423  761.318   70.132  829.680   93.828  674.775  105.571  255.506   14.768  229.121   18.612 26.38564 23.75968 
1 1 1    9   -2   28 o  161.003   10.603  327.633   42.392  321.901   53.037  337.774   70.542  158.988   13.486  161.764   17.755 -2.775665 22.29573 
1 1 1    9   -2   29 o  202.064   11.240  516.337   56.494  532.873   67.995  479.476  101.517  204.753   13.372  191.446   21.613 13.30707 25.41502 
1 1 1    9   -2   30 o  252.288   15.467  814.177   96.976  906.094  137.087  722.107  137.202  263.614   20.999  233.719   23.842 29.89421 31.77072 
1 1 1    9   -2   31 o   50.605   15.296   33.040   20.968   28.080   23.287   54.279   48.190   48.259   16.287   67.005   23.402 -18.74588 28.51189 
1 1 1    9   -2   32 o  106.562   12.238  146.171   31.974  156.813   37.235  116.288   62.396  109.971   13.867   91.377   26.066 18.59412 29.52522 
1 1 1    9   -2   33 o  138.639   11.333  246.073   38.894  213.871   44.879  343.231   77.954  128.249   14.254  160.161   19.921 -31.91243 24.49570 
1 1 1    9   -2   34 o  103.995   12.810  140.860   32.563  139.616   37.789  144.447   64.175  102.691   15.195  100.053   25.585 2.637726 29.75695 
1 1 1    9   -2   35 o   40.201   16.422   9.7553   26.115   9.7553   26.115   0.0000   0.0000   40.201   16.422  ?   ?  0.000000 16.42203 
1 1 1    9   -2   36 o   94.495   13.517  118.421   30.988  132.443   35.890   77.349   61.425   99.431   14.914   74.298   26.380 25.13271 30.30412 
1 1 1    9   -2   37 o  119.667   12.731  188.436   37.459  210.840   44.084  130.238   71.050  125.850   14.280   91.101   28.275 34.74845 31.67662 
1 1 1    9   -2   38 o   99.905   14.226  134.406   34.490  140.854   40.072  115.983   67.741  101.148   16.429   85.474   27.745 15.67397 32.24429 
1 1 1    9   -2   39 o   56.595   21.635   39.607   42.635   33.155   61.006   45.768   59.609   59.174   24.722   62.128   25.017 -2.954155 35.17184 
1 1 1    9   -2   40 o   86.591   17.215  107.400   35.914  106.390   41.961  110.165   69.447   84.210   20.211   80.347   28.091 3.863892 34.60655 
1 1 1    9   -1    0 o  166.594   12.250  349.238   50.606  374.956   72.102  324.267   71.046  172.063   17.003  159.718   18.134 12.34465 24.85885 
1 1 1    9   -1    1 o  289.635   14.828  1053.78  106.889  1296.80  152.370  818.308  149.986  320.793   19.107  253.764   23.952 67.02914 30.63926 
1 1 1    9   -1    2 o  198.714   12.569  496.189   62.048  617.760   88.741  379.905   86.789  221.409   16.162  172.685   20.528 48.72404 26.12696 
1 1 1    9   -1    3 o  499.935   22.762  3144.35  284.172  3388.75  402.568  2901.61  401.195  516.349   31.369  476.929   33.907 39.42017 46.19235 
1 1 1    9   -1    4 o  188.357   12.798  446.042   59.839  453.004   85.315  439.302   83.951  189.160   18.289  186.251   18.286 2.908661 25.86244 
1 1 1    9   -1    5 o  180.394   8.7878  406.743   39.587  413.587   56.054  399.934   55.915  181.385   12.451  178.333   12.638 3.051651 17.74075 
1 1 1    9   -1    6 o  425.486   14.163  2266.39  150.484  2266.30  212.903  2266.49  212.729  424.914   20.065  424.934   20.047 -0.1971436E-01 28.36330 
1 1 1    9   -1    7 o  524.892   16.809  3452.55  220.329  3342.00  311.473  3563.28  311.713  515.418   24.200  532.330   23.449 -16.91174 33.69689 
1 1 1    9   -1    8 o  1061.99   32.202 14268.24  853.992 14390.52  1207.94 14146.04  1207.52  1059.56   45.653  1050.29   46.040 9.270508 64.83707 
1 1 1    9   -1    9 o  200.170   13.376  503.661   66.477   0.0000   0.0000  503.661   66.477  ?   ?   200.170   13.376 0.000000 13.37615 
1 1 1    9   -1   10 o  363.946   17.485  1660.47  158.908  1660.47  158.908   0.0000   0.0000  363.946   17.485  ?   ?  0.000000 17.48465 
1 1 1    9   -1   11 o  183.468   9.0754  420.755   41.579  440.200   58.896  401.434   58.709  187.133   12.678  178.604   13.258 8.528625 18.34400 
1 1 1    9   -1   12 o  420.862   13.823  2217.67  145.271  2208.62  205.602  2226.69  205.287  419.416   19.630  421.141   19.520 -1.724670 27.68378 
1 1 1    9   -1   13 f  1075.39   32.664 14681.57  877.162 14261.46  1240.15 15102.16  1240.84  1050.46   47.276  1082.01   45.924 -31.55420 65.90922 
1 1 1    9   -1   14 o  629.309   28.108  5013.47  441.712  4912.75  624.570  5114.25  624.781  617.091   40.760  630.081   39.914 -12.98987 57.04861 
1 1 1    9   -1   15 o  352.010   17.438  1556.65  153.288  1691.49  216.922  1422.17  216.642  365.205   23.918  334.208   26.167 30.99637 35.45116 
1 1 1    9   -1   16 o  516.695   16.681  3355.04  215.237  3413.99  304.407  3296.11  304.376  519.579   23.461  510.413   23.880 9.165405 33.47684 
1 1 1    9   -1   17 o  295.425   11.145  1093.39   82.220  1155.78  116.157  1030.74  116.397  302.891   15.408  285.823   16.376 17.06744 22.48503 
1 1 1    9   -1   18 o  116.340   9.1205  170.473   26.285  177.720   36.199  162.391   38.229  118.375   12.431  112.872   13.854 5.503792 18.61363 
1 1 1    9   -1   19 o  228.155   9.4805  652.094   54.015  607.323   75.578  698.839   77.226  219.345   13.870  235.468   13.186 -16.12332 19.13757 
1 1 1    9   -1   20 o  242.544   10.574  737.963   64.043  848.062   89.916  624.597   91.240  259.196   13.943  221.783   16.594 37.41243 21.67451 
1 1 1    9   -1   21 o   93.873   13.627  113.235   31.011  112.855   43.289  113.637   44.445   92.599   19.344   92.854   19.774 -0.2543182 27.66236 
1 1 1    9   -1   22 o  184.497   9.4778  428.062   43.519  424.936   59.370  431.693   63.978  183.235   13.061  184.512   13.989 -1.276260 19.13853 
1 1 1    9   -1   23 o  197.220   9.0653  487.801   44.646  441.620   60.475  543.120   66.188  186.769   13.049  207.254   12.852 -20.48520 18.31505 
1 1 1    9   -1   24 o  159.601   9.4521  320.759   37.504  330.582   49.889  307.994   56.870  161.539   12.464  155.413   14.834 6.125885 19.37494 
1 1 1    9   -1   25 o  175.103   9.7531  386.151   42.478  397.243   56.365  371.570   64.623  177.060   12.835  170.673   15.326 6.387161 19.99055 
1 1 1    9   -1   26 o  176.287   9.8397  391.511   43.144  397.118   56.393  383.597   66.996  177.000   12.846  173.316   15.648 3.684921 20.24592 
1 1 1    9   -1   27 o  255.498   17.663  834.949  112.004  992.311  146.227  611.572  174.220  277.199   21.287  211.523   34.146 65.67615 40.23785 
1 1 1    9   -1   28 o  172.831   10.082  376.761   43.323  371.389   55.038  385.511   70.242  171.024   12.984  173.418   16.415 -2.394699 20.92968 
1 1 1    9   -1   29 o  158.539   11.050  318.073   43.475  350.774   54.017  257.935   73.254  166.087   13.131  139.918   21.666 26.16856 25.33439 
1 1 1    9   -1   30 o   83.709   12.905   90.625   26.109   90.762   30.033   90.201   52.828   83.315   14.986   82.243   24.141 1.071350 28.41468 
1 1 1    9   -1   31 o  104.791   12.308  140.810   31.594  157.705   36.875   94.171   61.267  110.669   13.631   84.108   26.282 26.56011 29.60624 
1 1 1    9   -1   32 f  262.460   23.117  915.189  149.964   0.0000   0.0000  915.189  149.964  ?   ?   262.460   23.117 0.000000 23.11689 
1 1 1    9   -1   33 o  161.852   13.341  336.688   53.441  336.688   53.441   0.0000   0.0000  161.852   13.341  ?   ?  0.000000 13.34126 
1 1 1    9   -1   34 o   51.514   15.869   34.585   22.428   31.444   24.995   47.564   50.811   50.297   16.874   64.293   23.823 -13.99556 29.19425 
1 1 1    9   -1   35 o  244.297   12.297  767.942   74.780  782.475   90.529  736.726  132.677  244.942   14.871  230.638   23.358 14.30389 27.69039 
1 1 1    9   -1   36 o   48.775   18.295   25.733   30.145   25.733   30.145   0.0000   0.0000   48.775   18.295  ?   ?  0.000000 18.29510 
1 1 1    9   -1   37 o   49.602   16.632   31.631   24.280   15.337   27.229   94.876   53.645   42.857   17.026   80.310   24.509 -37.45222 29.84269 
1 1 1    9   -1   38 o   92.407   14.630  115.135   32.636  121.453   37.835   96.769   64.511   93.951   16.740   80.007   27.108 13.94367 31.86046 
1 1 1    9   -1   39 o   36.925   15.769   3.0289   25.729   5.0603   29.011  -4.4563   55.688   39.557   16.815   49.565   22.118 -10.00815 27.78395 
1 1 1    9   -1   40 o   98.491   21.459  144.862   51.285  170.921   74.535  121.433   70.674  101.003   28.377   85.204   28.373 15.79977 40.12835 
1 1 1    9    0    0 o   79.866   8.7912   80.710   17.243   70.473   24.324   91.051   24.447   73.840   13.695   84.466   11.922 -10.62584 18.15743 
1 1 1    9    0    1 o  664.469   20.052  5549.69  332.723  5675.81  470.703  5423.75  470.378  669.820   28.141  654.584   28.776 15.23596 40.24886 
1 1 1    9    0    2 o  480.416   15.662  2893.10  187.891  2884.09  265.709  2902.11  265.728  478.715   22.227  480.220   22.159 -1.504608 31.38547 
1 1 1    9    0    3 o  611.886   18.982  4700.67  290.041  4721.61  410.290  4679.77  410.071  611.561   26.866  608.818   26.972 2.742371 38.06950 
1 1 1    9    0    4 o  553.186   25.060  3856.12  346.184  3751.58  489.627  3960.62  489.528  541.748   36.404  557.054   35.374 -15.30597 50.75996 
1 1 1    9    0    5 o  410.557   19.463  2115.80  199.540  2251.85  282.783  1980.88  281.604  421.685   26.996  395.009   28.745 26.67551 39.43461 
1 1 1    9    0    6 o  305.911   16.082  1175.73  122.419  1169.45  173.533  1181.95  172.722  304.105   23.022  305.776   22.784 -1.670685 32.38969 
1 1 1    9    0    7 o  1204.54   52.471 18765.82  1578.30 19665.28  2233.69 17868.98  2230.42  1210.48   74.254  1149.39   78.173 61.08887 107.8179 
1 1 1    9    0    8 o  342.366   17.005  1468.96  145.388   0.0000   0.0000  1468.96  145.388  ?   ?   342.366   17.005 0.000000 17.00537 
1 1 1    9    0    9 o  848.826   37.084  9153.07  786.067  9153.07  786.067   0.0000   0.0000  848.826   37.084  ?   ?  0.000000 37.08427 
1 1 1    9    0   10 o  181.790   8.7967  413.040   39.934  392.573   56.819  433.020   56.137  176.654   12.971  185.655   12.176 -9.001007 17.79033 
1 1 1    9    0   11 o  652.672   20.305  5347.54  330.940  5557.92  468.381  5137.81  467.659  663.716   28.260  637.877   29.359 25.83948 40.74994 
1 1 1    9    0   12 o  303.200   11.255  1149.83   85.216  1084.08  120.586  1215.42  120.441  293.651   16.511  311.487   15.484 -17.83582 22.63574 
1 1 1    9    0   13 o  500.094   15.952  3134.30  199.208  3221.24  281.986  3047.68  281.461  506.085   22.313  492.167   22.901 13.91840 31.97370 
1 1 1    9    0   14 o  606.314   19.138  4617.04  289.760  4503.93  409.711  4730.23  409.855  596.989   27.483  611.978   26.819 -14.98969 38.40011 
1 1 1    9    0   15 o  210.479   9.2871  554.010   48.814  515.917   69.154  591.838   68.912  202.461   13.760  217.021   12.772 -14.56010 18.77386 
1 1 1    9    0   16 o   78.562   12.780   79.305   24.211  121.348   33.990   36.008   34.493   97.332   14.421   56.718   19.799 40.61347 24.49447 
1 1 1    9    0   17 o  206.348   9.4395  532.795   48.640  546.367   68.644  519.109   68.933  208.324   13.264  202.986   13.679 5.338272 19.05383 
1 1 1    9    0   18 o  148.207   8.9448  275.874   32.950  300.576   46.106  250.087   47.106  154.375   12.056  140.514   13.595 13.86130 18.17011 
1 1 1    9    0   19 o  299.989   11.492  1128.54   86.088  1233.37  121.438  1022.64  122.058  313.053   15.534  284.284   17.275 28.76859 23.23243 
1 1 1    9    0   20 o  131.161   9.3440  216.594   30.405  254.088   41.922  174.985   44.162  141.772   11.953  116.853   15.518 24.91911 19.58781 
1 1 1    9    0   21 f  133.652   9.2978  224.939   30.838  235.490   41.916  212.488   45.532  136.320   12.451  129.102   14.367 7.217804 19.01108 
1 1 1    9    0   22 o  232.796   9.8757  679.820   57.411  640.797   79.548  722.243   82.941  225.019   14.230  239.001   13.958 -13.98251 19.93243 
1 1 1    9    0   23 o   92.797   14.162  111.033   31.779  107.441   44.671  114.714   45.217   90.089   20.338   93.185   20.028 -3.096107 28.54405 
1 1 1    9    0   24 o  154.166   9.1364  299.125   35.016  300.879   46.608  296.852   53.057  154.142   12.208  152.749   14.068 1.392868 18.62644 
1 1 1    9    0   25 o  115.882   9.1678  169.506   26.313  159.203   33.306  186.615   42.921  111.815   12.122  120.697   14.532 -8.881607 18.92467 
1 1 1    9    0   26 o  139.939   9.7718  247.058   33.934  273.011   43.769  207.955   53.726  146.765   12.049  126.812   17.426 19.95351 21.18608 
1 1 1    9    0   27 o  175.974   10.390  390.515   45.454  426.175   59.591  340.903   70.289  183.342   13.102  162.826   17.565 20.51686 21.91320 
1 1 1    9    0   28 o  233.592   15.255  694.204   88.495  649.622  108.709  781.791  152.372  224.580   19.580  244.123   25.365 -19.54269 32.04285 
1 1 1    9    0   29 o  164.658   10.643  342.499   43.529  352.281   54.742  325.678   71.782  166.472   13.279  158.695   18.458 7.777054 22.73840 
1 1 1    9    0   30 o  109.263   11.621  152.175   31.220  157.891   36.477  136.520   60.366  110.946   13.440  100.502   24.317 10.44439 27.78388 
1 1 1    9    0   31 o  165.721   10.862  347.644   44.703  326.427   53.130  399.076   82.721  159.980   13.423  175.206   19.223 -15.22552 23.44537 
1 1 1    9    0   32 o   58.907   19.974   42.281   35.025   23.282   50.065   60.494   49.019   57.229   22.968   69.695   23.630 -12.46599 32.95323 
1 1 1    9    0   33 o   67.298   20.032   60.148   36.165   86.368   50.062   31.530   52.302   79.805   23.522   60.274   23.707 19.53065 33.39616 
1 1 1    9    0   34 o  118.011   11.441  178.554   33.293  173.345   38.983  192.595   63.999  115.587   13.777  118.577   22.435 -2.990898 26.32753 
1 1 1    9    0   35 o  173.648   11.429  386.124   49.284  406.322   59.080  339.907   89.368  177.318   13.443  156.745   23.560 20.57251 27.12553 
1 1 1    9    0   36 o  116.228   12.125  175.216   34.674  164.048   40.603  205.302   66.643  111.344   14.983  120.676   22.953 -9.332108 27.41086 
1 1 1    9    0   37 o  159.691   11.552  329.531   45.755  336.217   54.760  314.069   83.281  160.160   13.827  148.712   23.181 11.44806 26.99215 
1 1 1    9    0   38 f  132.337   19.656  243.509   62.983  243.509   62.983   0.0000   0.0000  132.337   19.656  ?   ?  0.000000 19.65594 
1 1 1    9    0   39 o  151.114   12.445  299.363   46.546  336.994   55.625  211.467   85.012  159.320   14.128  114.679   29.513 44.64063 32.72017 
1 1 1    9    0   40 o   31.458   14.453 -15.3695   25.959 -16.5418   29.423 -11.2509   55.150   33.544   15.402   47.876   21.633 -14.33234 26.55577 
1 1 1    9    0   41 o   64.515   19.262   60.848   33.402   84.842   39.260  -2.0392   63.561   75.373   20.373   52.008   23.387 23.36422 31.01632 
1 1 1    9    1    0 o  769.437   23.062  7461.76  443.113  7632.19  626.861  7291.54  626.453  774.658   32.405  756.854   33.146 17.80444 46.35412 
1 1 1    9    1    1 o  575.678   17.669  4160.33  254.004  4204.87  359.302  4115.82  359.130  577.213   24.927  571.005   25.186 6.208069 35.43596 
1 1 1    9    1    2 o  495.361   15.990  3076.98  197.799  3184.77  279.909  2969.47  279.551  502.951   22.286  485.511   23.057 17.43973 32.06757 
1 1 1    9    1    3 o  767.392   23.684  7419.20  453.862  7492.70  641.949  7345.75  641.767  767.762   33.483  760.063   33.812 7.699463 47.58562 
1 1 1    9    1    4 o  336.794   11.758  1419.28   98.888  1431.28  139.935  1407.31  139.763  337.863   16.586  335.010   16.706 2.852356 23.54128 
1 1 1    9    1    5 o  432.633   14.220  2343.86  153.628  2406.37  217.407  2281.51  217.118  437.754   19.888  426.182   20.401 11.57162 28.49098 
1 1 1    9    1    6 o  876.912   26.755  9696.61  585.891  9786.38  828.723  9606.91  828.427  876.660   37.855  868.429   38.201 8.230774 53.78021 
1 1 1    9    1    7 o  623.490   19.530  4878.42  304.071  4934.49  430.161  4822.42  429.882  625.504   27.539  618.291   27.842 7.212646 39.16117 
1 1 1    9    1    8 o  520.939   23.730  3413.01  308.700  3493.29  437.062  3333.09  436.074  524.118   33.570  511.698   34.326 12.42050 48.01255 
1 1 1    9    1    9 o  528.276   24.040  3510.05  317.130  3571.99  448.802  3448.29  448.180  529.925   34.096  520.466   34.682 9.459534 48.63493 
1 1 1    9    1   10 o  134.577   12.483  228.514   41.474  197.148   59.397  258.357   57.938  123.818   19.883  142.649   16.574 -18.83089 25.88467 
1 1 1    9    1   11 o  608.783   19.157  4649.23  291.229  4586.54  411.921  4711.88  411.800  603.203   27.346  611.469   26.969 -8.266174 38.40752 
1 1 1    9    1   12 o  556.963   17.691  3889.24  246.049  3952.23  348.175  3826.41  347.757  560.328   24.883  551.269   25.262 9.059509 35.45872 
1 1 1    9    1   13 o  148.462   8.5710  276.400   31.641  267.271   45.322  285.081   44.194  145.606   12.588  150.492   11.856 -4.885315 17.29225 
1 1 1    9    1   14 o  601.161   18.898  4536.55  283.698  4524.99  401.312  4548.10  401.107  598.773   26.839  600.320   26.756 -1.546814 37.89783 
1 1 1    9    1   15 o  223.485   9.0735  624.471   50.637  710.107   72.073  540.992   71.160  237.877   12.174  207.368   13.821 30.50856 18.41796 
1 1 1    9    1   16 o  191.885   9.1767  460.468   43.972  394.091   62.236  526.633   62.137  176.754   14.220  204.721   12.210 -27.96700 18.74312 
1 1 1    9    1   17 o  408.429   13.790  2091.54  140.652  2056.89  198.844  2126.25  198.979  404.156   19.702  410.969   19.389 -6.812744 27.64223 
1 1 1    9    1   18 o  378.122   18.454  1800.71  174.249  1812.70  245.873  1788.62  246.983  376.844   26.292  374.226   26.602 2.617676 37.40278 
1 1 1    9    1   19 o  244.935   10.014  751.303   61.252  727.510   86.247  775.516   87.006  240.214   14.445  248.095   14.102 -7.880493 20.18714 
1 1 1    9    1   20 f  601.782   19.201  4579.51  288.546  4659.33  407.841  4499.51  408.290  603.251   27.073  592.530   27.594 10.72125 38.65707 
1 1 1    9    1   21 o  214.065   10.103  574.480   54.009  661.995   75.525  482.881   77.266  229.083   13.259  195.029   16.006 34.05424 20.78448 
1 1 1    9    1   22 o  389.218   13.407  1906.71  130.308  1934.04  183.552  1878.93  185.024  390.488   18.823  384.258   19.344 6.230560 26.99104 
1 1 1    9    1   23 o  212.505   10.374  566.802   55.053  625.147   76.301  503.442   79.512  222.311   13.813  198.910   16.147 23.40085 21.24883 
1 1 1    9    1   24 o   96.136   12.333  118.164   28.925  107.724   45.770  125.106   37.322   90.145   20.761   98.292   15.736 -8.146278 26.05064 
1 1 1    9    1   25 f  160.455   12.967  326.450   51.511  365.990   73.234  287.734   72.468  168.920   17.621  148.958   19.986 19.96198 26.64445 
1 1 1    9    1   26 o  208.477   10.067  545.782   52.408  564.581   70.553  522.640   78.278  211.151   13.451  202.631   15.589 8.520645 20.58999 
1 1 1    9    1   27 o  164.411   10.249  340.868   41.869  369.505   54.605  300.012   65.222  170.727   12.903  152.727   17.413 18.00000 21.67235 
1 1 1    9    1   28 o  124.062   9.6832  194.427   29.762  174.321   36.598  233.682   51.138  116.910   12.742  134.987   15.449 -18.07645 20.02572 
1 1 1    9    1   29 o   82.953   12.282   88.571   24.673   94.097   29.122   74.513   46.446   85.165   14.193   75.551   22.750 9.614128 26.81392 
1 1 1    9    1   30 o   66.828   17.612   58.985   29.805   58.985   29.805   0.0000   0.0000   66.828   17.612  ?   ?  0.000000 17.61201 
1 1 1    9    1   31 f  192.266   11.502  467.743   54.970  494.340   66.548  410.621   97.527  197.167   13.599  176.728   22.618 20.43872 26.39131 
1 1 1    9    1   32 o  151.908   13.022  294.329   48.920  294.329   48.920   0.0000   0.0000  151.908   13.022  ?   ?  0.000000 13.02195 
1 1 1    9    1   33 o  199.002   11.785  503.063   58.306  535.166   70.414  433.039  103.995  204.616   13.862  179.920   23.725 24.69565 27.47791 
1 1 1    9    1   34 o   39.854   14.943   15.529   20.108   24.959   22.395 -23.7007   45.676   46.087   15.961   42.925   19.512 3.161636 25.20830 
1 1 1    9    1   35 o  177.744   14.765  409.471   64.944  465.551   92.155  354.141   91.537  186.823   20.068  160.817   23.486 26.00514 30.89185 
1 1 1    9    1   36 o   97.423   12.936  123.888   30.693  126.355   35.957  117.265   58.919   97.615   15.250   90.470   25.164 7.145683 29.42392 
1 1 1    9    1   37 o  210.884   12.080  573.552   63.350  597.202   76.663  522.631  112.492  213.755   14.447  192.696   23.890 21.05896 27.91842 
1 1 1    9    1   38 o  149.665   12.008  290.715   44.503  305.118   53.175  257.040   81.308  152.255   14.148  132.369   25.523 19.88594 29.18175 
1 1 1    9    1   39 o  187.606   20.654  491.775   95.159  491.775   95.159   0.0000   0.0000  187.606   20.654  ?   ?  0.000000 20.65417 
1 1 1    9    1   40 o  111.677   13.784  166.414   37.625  144.446   43.989  226.291   72.623  101.728   17.973  122.887   24.525 -21.15894 30.40599 
1 1 1    9    1   41 f  100.756   15.589  139.476   37.957  173.715   45.272   58.462   69.640  111.926   16.709   67.482   27.087 44.44383 31.82620 
1 1 1    9    2    0 o  297.341   11.019  1106.33   81.817  1102.05  115.720  1110.61  115.695  296.018   15.711  297.177   15.645 -1.159546 22.17203 
1 1 1    9    2    1 o  619.739   19.469  4828.08  301.309  4908.16  426.242  4748.09  425.989  622.801   27.407  612.427   27.854 10.37408 39.07674 
1 1 1    9    2    2 o  136.705   8.2142  234.454   27.911  245.040   39.570  223.971   39.375  139.464   11.464  133.234   11.962 6.229553 16.56825 
1 1 1    9    2    3 f  616.225   19.360  4770.90  297.911  4626.98  421.107  4915.11  421.514  604.848   27.880  623.625   27.067 -18.77728 38.85767 
1 1 1    9    2    4 o  480.051   15.272  2887.97  183.081  2954.84  259.039  2821.23  258.791  484.720   21.400  473.557   21.884 11.16333 30.60867 
1 1 1    9    2    5 o  794.051   24.255  7942.22  480.949  8230.62  680.603  7654.56  679.727  804.999   33.857  775.832   35.085 29.16742 48.75675 
1 1 1    9    2    6 o  780.374   23.970  7666.06  467.104  7752.99  660.716  7579.19  660.453  781.632   33.850  772.682   34.229 8.950012 48.13982 
1 1 1    9    2    7 o  896.886   38.433 10245.01  860.787   0.0000   0.0000 10245.01  860.787  ?   ?   896.886   38.433 0.000000 38.43329 
1 1 1    9    2    8 o  373.885   18.309  1753.05  170.943  1753.05  170.943   0.0000   0.0000  373.885   18.309  ?   ?  0.000000 18.30897 
1 1 1    9    2    9 o  333.409   11.841  1390.43   98.589  1420.05  139.618  1360.97  139.234  336.651   16.608  329.112   17.000 7.539307 23.76551 
1 1 1    9    2   10 f  649.080   20.284  5287.55  328.777  5230.29  464.959  5344.81  464.962  643.849   28.919  650.933   28.604 -7.083801 40.67553 
1 1 1    9    2   11 o  425.014   20.136  2266.94  213.707  2073.94  302.174  2460.08  302.280  404.162   30.157  440.930   27.592 -36.76779 40.87497 
1 1 1    9    2   12 o  474.738   21.740  2831.15  257.735  3096.10  365.303  2568.53  363.687  494.295   29.733  449.352   32.634 44.94321 44.14761 
1 1 1    9    2   13 o  523.366   19.332  3437.17  252.661  3545.80  309.611  3220.59  437.152  530.966   23.351  502.595   35.050 28.37103 42.11615 
1 1 1    9    2   14 o  485.884   15.761  2958.14  191.235  2955.92  270.640  2960.36  270.254  484.837   22.354  485.209   22.304 -0.3721008 31.57797 
1 1 1    9    2   15 o  344.762   12.173  1487.51  104.803  1503.75  148.464  1471.37  147.964  346.246   17.171  342.043   17.380 4.202606 24.43160 
1 1 1    9    2   16 o  782.423   24.096  7721.54  470.807  7631.26  665.796  7811.85  665.848  773.771   34.457  783.060   34.051 -9.289063 48.44334 
1 1 1    9    2   17 o  326.584   11.682  1335.38   95.274  1378.17  134.880  1292.77  134.597  331.344   16.301  320.416   16.881 10.92831 23.46708 
1 1 1    9    2   18 o  235.529   9.9222  694.235   58.358  699.541   82.453  688.909   82.610  235.740   14.070  233.918   14.210 1.822464 19.99720 
1 1 1    9    2   19 o  138.587   8.8435  241.288   30.446  283.960   42.776  197.478   43.343  150.101   11.500  124.631   14.179 25.47019 18.25602 
1 1 1    9    2   20 o  739.795   32.870  7067.31  607.242  7855.45  859.363  6281.34  858.177  767.863   45.014  680.502   50.869 87.36121 67.92526 
1 1 1    9    2   21 o  179.050   9.6573  402.812   43.020  446.655   60.091  356.715   61.616  188.134   12.868  167.703   14.867 20.43077 19.66253 
1 1 1    9    2   22 o  261.633   10.356  858.511   67.662  835.377   94.641  882.698   96.772  257.073   14.805  264.294   14.721 -7.221558 20.87827 
1 1 1    9    2   23 o  492.647   16.052  3066.40  197.474  3036.98  278.522  3096.13  280.026  487.327   22.887  492.101   22.787 -4.773987 32.29665 
1 1 1    9    2   24 o  284.763   10.942  1018.49   77.813  998.667  108.504  1039.47  111.651  280.725   15.538  286.383   15.672 -5.658569 22.06905 
1 1 1    9    2   25 o  159.233   9.6414  319.269   38.157  331.383   51.223  304.167   57.193  161.730   12.787  154.468   15.017 7.262222 19.72362 
1 1 1    9    2   26 o   65.907   16.571   57.174   27.244   60.955   38.640   53.436   38.420   68.742   20.762   65.251   20.866 3.490639 29.43500 
1 1 1    9    2   27 o   69.796   11.611   62.893   19.526   75.623   23.169   31.691   36.273   76.510   12.563   55.133   20.180 21.37683 23.77055 
1 1 1    9    2   28 o  256.650   11.192  828.471   71.732  861.525   96.905  788.405  106.689  260.564   14.956  248.545   17.297 12.01883 22.86627 
1 1 1    9    2   29 o  122.645   10.715  190.541   32.486  240.641   40.504  100.196   54.391  137.732   11.893   86.731   24.197 51.00175 26.96152 
1 1 1    9    2   30 o  209.049   11.575  552.036   60.188  586.545   73.042  479.033  106.237  215.022   13.674  191.515   22.652 23.50623 26.45973 
1 1 1    9    2   32 f  138.182   17.312  247.476   58.427  247.476   58.427   0.0000   0.0000  138.182   17.312  ?   ?  0.000000 17.31199 
1 1 1    9    2   33 o   51.526   15.516   34.212   21.604   45.585   24.421  -6.7216   46.331   58.801   16.141   47.378   20.695 11.42284 26.24542 
1 1 1    9    2   34 o   83.822   13.312   91.471   26.933  104.680   31.214   52.988   53.279   89.501   14.459   67.672   24.504 21.82892 28.45189 
1 1 1    9    2   35 o  105.598   12.097  143.602   31.325  142.219   36.494  147.473   61.052  104.440   14.374  102.991   24.156 1.449150 28.10910 
1 1 1    9    2   36 o  229.501   15.358  684.479   87.512  756.816  125.170  615.310  122.398  237.156   21.365  212.097   23.505 25.05943 31.76361 
1 1 1    9    2   37 o  171.397   11.611  377.543   49.403  430.091   59.616  262.352   88.265  182.253   13.188  134.309   27.248 47.94402 30.27219 
1 1 1    9    2   38 o  100.219   13.442  132.264   32.792  134.752   38.500  125.689   62.589  100.173   15.924   92.216   26.038 7.956970 30.52067 
1 1 1    9    2   39 o  208.210   12.464  563.163   64.507  581.135   78.167  524.787  114.221  209.696   15.027  190.845   24.535 18.85147 28.77129 
1 1 1    9    2   40 o   43.452   17.052   17.320   27.005   26.441   31.008 -11.3258   54.951   48.992   18.517   48.437   21.767 0.5546532 28.57733 
1 1 1    9    2   41 o   82.979   22.972  103.367   49.222  103.367   49.222   0.0000   0.0000   82.979   22.972  ?   ?  0.000000 22.97155 
1 1 1    9    2   42 o  119.826   14.455  194.587   42.380  209.800   50.431  158.019   78.189  122.794   16.894   96.078   29.636 26.71509 34.11265 
1 1 1    9    3    0 o  335.320   11.949  1407.54  100.054  1396.98  141.494  1418.09  141.502  333.186   17.063  335.719   16.933 -2.533600 24.03922 
1 1 1    9    3    1 o  397.839   13.394  1982.60  133.069  2019.05  188.294  1946.24  188.083  400.852   18.811  393.514   19.140 7.337189 26.83597 
1 1 1    9    3    2 o  602.392   19.013  4559.59  286.013  4562.38  404.491  4556.81  404.476  600.663   26.967  600.292   26.982 0.3707886 38.14767 
1 1 1    9    3    3 o  259.579   10.193  842.795   66.074  826.024   93.428  859.576   93.457  256.329   14.657  261.534   14.365 -5.204559 20.52229 
1 1 1    9    3    4 o  549.164   17.517  3784.24  240.219  3724.93  339.651  3843.61  339.791  543.446   25.028  552.119   24.645 -8.673828 35.12512 
1 1 1    9    3    5 f  476.859   15.457  2849.63  184.066  2891.85  260.419  2807.49  260.198  479.523   21.748  472.428   22.056 7.094971 30.97434 
1 1 1    9    3    6 o  615.402   19.328  4754.30  297.028  4699.22  420.018  4809.41  420.105  610.127   27.567  617.315   27.252 -7.188538 38.76395 
1 1 1    9    3    7 o  308.085   11.240  1187.19   86.476  1151.13  122.287  1223.26  122.303  302.652   16.240  312.075   15.745 -9.422821 22.61898 
1 1 1    9    3    8 o  564.625   17.855  3997.34  251.752  4062.36  356.170  3932.41  355.893  568.032   25.109  558.799   25.504 9.232666 35.79027 
1 1 1    9    3    9 o  387.469   13.193  1878.72  127.654  1932.39  180.603  1825.14  180.457  392.549   18.424  381.453   18.944 11.09558 26.42592 
1 1 1    9    3   10 o  580.036   18.348  4218.58  265.769  4219.21  375.954  4217.96  375.755  578.847   26.009  578.764   25.999 0.8337402E-01 36.77491 
1 1 1    9    3   11 o  525.763   16.773  3463.60  220.212  3467.42  311.564  3459.78  311.291  525.126   23.759  524.547   23.765 0.5791626 33.60445 
1 1 1    9    3   12 o  347.843   12.331  1513.64  107.108  1447.33  151.575  1579.77  151.372  339.304   17.953  355.047   17.073 -15.74338 24.77489 
1 1 1    9    3   13 o  415.390   13.896  2159.86  144.140  2053.21  203.981  2266.22  203.709  404.440   20.197  425.010   19.194 -20.56992 27.86248 
1 1 1    9    3   14 o  552.293   24.712  3840.46  340.821  4133.43  482.986  3549.90  481.007  569.868   34.096  527.131   36.772 42.73773 50.14687 
1 1 1    9    3   15 o  301.206   15.265  1139.58  114.446  1368.64  163.334  918.660  160.408  329.519   19.943  269.039   24.133 60.48026 31.30676 
1 1 1    9    3   16 o  406.108   13.548  2065.42  137.394  2243.19  194.732  1889.20  193.880  422.682   18.449  387.185   20.122 35.49750 27.29925 
1 1 1    9    3   17 o  431.401   14.393  2332.74  155.053  2391.85  219.490  2273.86  219.066  436.023   20.158  425.055   20.639 10.96765 28.84978 
1 1 1    9    3   18 o  260.974   10.270  852.324   66.927  901.399   94.966  803.898   94.336  267.726   14.256  252.686   15.018 15.04002 20.70658 
1 1 1    9    3   19 o  241.809   10.173  731.964   61.430  784.584   86.787  679.128   86.964  249.679   13.976  232.077   15.088 17.60185 20.56590 
1 1 1    9    3   20 f  448.156   14.870  2523.87  166.417  2685.95  235.372  2361.85  235.326  461.011   20.445  431.386   21.917 29.62518 29.97281 
1 1 1    9    3   21 o  639.516   20.173  5177.05  322.154  5439.47  455.648  4914.75  455.542  651.418   28.010  618.325   29.503 33.09338 40.68155 
1 1 1    9    3   22 o  123.174   13.737  193.137   41.533  272.475   55.096   88.703   63.211  146.283   15.309   83.813   26.760 62.46996 30.82979 
1 1 1    9    3   23 f  307.369   11.732  1186.71   90.052  1290.22  126.719  1081.09  127.996  319.704   15.872  291.763   17.651 27.94031 23.73780 
1 1 1    9    3   24 o  335.346   12.675  1414.85  106.143  1564.88  149.272  1261.40  150.960  351.617   17.000  314.509   19.315 37.10760 25.73064 
1 1 1    9    3   25 f  339.785   12.394  1452.70  105.160  1528.81  147.439  1373.88  150.033  347.402   16.995  328.449   18.366 18.95239 25.02292 
1 1 1    9    3   26 o  230.387   9.9779  666.213   57.404  661.753   78.667  671.292   83.955  228.657   13.842  230.112   14.687 -1.454880 20.18202 
1 1 1    9    3   27 o   97.318   9.8556  120.081   23.621  114.867   29.246  129.864   40.059   94.677   12.689   99.953   16.634 -5.275589 20.92139 
1 1 1    9    3   28 o   97.816   14.598  123.459   34.567  142.469   49.161  104.870   48.613  104.078   19.635   88.726   22.040 15.35275 29.51744 
1 1 1    9    3   29 o  196.758   10.800  488.136   52.862  547.703   69.629  407.086   81.219  207.907   13.484  177.863   18.560 30.04437 22.94072 
1 1 1    9    3   30 o  108.480   11.327  149.671   30.231  166.955   35.733  106.150   56.701  114.378   12.726   89.135   24.647 25.24216 27.73882 
1 1 1    9    3   31 o  105.088   12.080  140.989   31.123  186.655   36.710   24.265   58.691  121.057   12.315   61.414   24.791 59.64242 27.68096 
1 1 1    9    3   32 o  136.321   10.847  235.442   36.620  235.160   43.571  236.120   67.580  135.811   13.006  133.988   20.878 1.823105 24.59785 
1 1 1    9    3   33 o  201.012   18.923  523.472   93.867  523.472   93.867   0.0000   0.0000  201.012   18.923  ?   ?  0.000000 18.92262 
1 1 1    9    3   34 o   73.638   14.359   71.313   25.456   84.626   29.422   31.676   50.768   80.173   15.253   60.042   23.432 20.13105 27.95925 
1 1 1    9    3   35 o   99.812   12.545  128.535   30.578  150.525   36.098   72.667   57.537  107.817   13.718   75.261   25.601 32.55627 29.04440 
1 1 1    9    3   36 o  113.813   12.352  166.983   34.543  185.036   40.860  121.766   64.668  119.374   13.971   92.834   26.555 26.54001 30.00644 
1 1 1    9    3   37 o   72.587   15.484   70.799   27.212   95.083   31.459  -1.3539   54.227   84.399   15.498   51.522   22.450 32.87734 27.27985 
1 1 1    9    3   38 o   89.348   19.224  110.339   41.621  159.824   60.892   66.947   57.020  105.777   23.646   71.371   25.408 34.40671 34.70927 
1 1 1    9    3   39 o   46.523   16.818   25.041   25.083   33.167   29.070   1.3702   49.618   51.813   18.172   49.443   21.510 2.370441 28.15856 
1 1 1    9    3   40 o   66.116   17.638   60.835   29.658   66.657   35.210   46.613   55.028   68.792   19.566   63.337   24.485 5.454498 31.34229 
1 1 1    9    3   41 o  107.466   14.284  154.581   37.383  159.446   44.574  143.043   68.637  107.650   17.157   95.571   27.365 12.07906 32.29849 
1 1 1    9    3   42 o   45.357   19.647   4.3662   41.037   4.3662   41.037   0.0000   0.0000   45.357   19.647  ?   ?  0.000000 19.64734 
1 1 1    9    4    0 o  246.719   9.7842  761.302   60.281  779.563   85.309  743.091   85.192  249.079   13.769  243.128   14.092 5.951645 19.70204 
1 1 1    9    4    1 o  109.678   8.0600  151.180   21.921  145.450   31.088  156.846   30.913  107.154   11.815  111.389   11.269 -4.235420 16.32685 
1 1 1    9    4    2 o  196.796   8.9907  484.244   44.183  495.176   62.546  473.354   62.424  198.465   12.686  193.994   12.960 4.471268 18.13609 
1 1 1    9    4    3 o  714.286   22.177  6423.40  395.569  6457.30  559.484  6389.51  559.354  713.212   31.414  709.398   31.575 3.813477 44.53998 
1 1 1    9    4    4 o  382.479   13.091  1831.68  125.033  1842.88  176.898  1820.50  176.747  383.116   18.490  380.771   18.588 2.344543 26.21855 
1 1 1    9    4    5 o  386.664   13.079  1871.70  126.289  1862.41  178.630  1880.97  178.570  385.188   18.571  387.114   18.472 -1.925934 26.19345 
1 1 1    9    4    6 o  249.446   14.273  781.775   88.536   0.0000   0.0000  781.775   88.536  ?   ?   249.446   14.273 0.000000 14.27253 
1 1 1    9    4    7 o  480.013   22.205  2896.85  266.172  2896.85  266.172   0.0000   0.0000  480.013   22.205  ?   ?  0.000000 22.20537 
1 1 1    9    4    8 o  180.153   8.7688  405.649   39.449  434.036   56.012  377.710   55.568  185.868   12.134  173.254   12.937 12.61449 17.73730 
1 1 1    9    4    9 o  655.711   20.372  5397.16  333.579  5423.30  471.787  5371.02  471.716  655.551   28.820  652.351   28.957 3.200439 40.85417 
1 1 1    9    4   10 o  506.342   16.327  3211.96  206.445  3212.25  292.030  3211.67  291.885  505.511   23.134  505.466   23.124 0.4440308E-01 32.70940 
1 1 1    9    4   11 o  321.172   11.397  1290.03   91.404  1319.49  129.521  1260.79  129.011  324.565   15.980  316.821   16.362 7.744110 22.87132 
1 1 1    9    4   12 o  280.236   10.764  981.972   75.329  932.885  106.651  1030.84  106.413  272.466   15.742  286.547   14.923 -14.08075 21.69095 
1 1 1    9    4   13 o  531.698   17.043  3542.95  226.282  3543.85  320.084  3542.05  319.938  530.774   24.149  530.640   24.144 0.1342163 34.14870 
1 1 1    9    4   14 o  544.478   17.371  3716.46  236.184  3804.09  334.273  3629.09  333.757  549.797   24.347  536.905   24.893 12.89136 34.82040 
1 1 1    9    4   15 f  138.738   8.3629  241.444   28.838  241.369   41.463  241.515   40.136  138.365   12.122  138.451   11.719 -0.8587646E-01 16.86055 
1 1 1    9    4   16 o  276.806   15.140  962.944  104.253  999.680  148.392  927.139  146.499  281.178   21.292  270.628   21.864 10.54926 30.51862 
1 1 1    9    4   17 o  462.032   21.555  2687.21  248.697  2729.98  352.271  2644.71  351.152  462.818   30.654  455.378   31.065 7.440338 43.64267 
1 1 1    9    4   18 o  550.686   17.571  3810.08  241.633  3777.34  341.756  3842.80  341.685  546.569   25.039  551.346   24.817 -4.776672 35.25412 
1 1 1    9    4   19 o  329.823   11.511  1362.47   94.805  1388.70  134.196  1336.32  133.954  332.484   16.163  325.699   16.524 6.785431 23.11447 
1 1 1    9    4   20 o  407.883   13.731  2087.88  139.863  2104.30  197.750  2071.45  197.842  408.453   19.388  405.217   19.552 3.235168 27.53434 
1 1 1    9    4   21 o  490.980   16.112  3034.55  197.542  3158.57  279.305  2910.42  279.429  499.019   22.414  478.688   23.376 20.33084 32.38520 
1 1 1    9    4   22 o  360.558   12.668  1632.69  114.057  1623.78  160.888  1641.70  161.717  358.062   18.052  360.492   17.964 -2.430450 25.46714 
1 1 1    9    4   23 o  513.157   16.644  3325.53  213.279  3482.53  301.291  3167.84  301.955  522.403   23.096  497.669   24.297 24.73364 33.52235 
1 1 1    9    4   24 o  283.810   16.775  1021.99  118.362  1211.97  164.982  820.507  169.906  307.595   21.616  250.692   27.598 56.90341 35.05526 
1 1 1    9    4   25 o  131.858   9.0601  218.969   29.651  214.685   39.383  224.574   45.053  130.087   12.268  132.806   13.786 -2.719315 18.45424 
1 1 1    9    4   26 o  153.573   9.0527  296.727   34.563  290.328   46.112  304.933   52.215  151.414   12.302  154.960   13.632 -3.545380 18.36226 
1 1 1    9    4   27 o  190.130   9.3211  453.451   44.255  448.979   59.292  459.076   66.499  188.407   12.676  190.237   14.099 -1.829453 18.95918 
1 1 1    9    4   28 o  174.048   9.6309  381.311   41.696  381.219   54.714  381.440   64.397  173.510   12.716  173.079   15.049 0.4309235 19.70233 
1 1 1    9    4   29 o   44.474   16.595   19.151   24.739   17.593   36.754   20.442   33.450   49.903   19.795   49.362   19.088 0.5417480 27.49859 
1 1 1    9    4   30 o  208.760   20.259  562.263  104.284   0.0000   0.0000  562.263  104.284  ?   ?   208.760   20.259 0.000000 20.25916 
1 1 1    9    4   31 o  173.682   13.121  382.822   56.489  382.822   56.489   0.0000   0.0000  173.682   13.121  ?   ?  0.000000 13.12127 
1 1 1    9    4   32 o  175.288   11.043  388.311   48.093  411.822   58.019  336.683   85.978  180.132   12.985  160.233   22.073 19.89871 25.60958 
1 1 1    9    4   33 o  148.039   11.552  278.029   42.366  317.462   50.966  189.844   76.216  157.921   13.040  118.074   26.500 39.84695 29.53446 
1 1 1    9    4   34 o  116.379   11.511  172.690   33.014  183.145   39.186  147.123   61.280  119.468   13.364  104.001   24.072 15.46708 27.53250 
1 1 1    9    4   35 o  167.674   18.289  367.182   75.337  367.182   75.337   0.0000   0.0000  167.674   18.289  ?   ?  0.000000 18.28919 
1 1 1    9    4   36 o   73.993   14.763   72.550   26.321   66.373   30.638   89.956   51.428   70.222   17.527   81.050   23.827 -10.82832 29.57948 
1 1 1    9    4   37 o  162.068   11.421  335.986   45.927  353.798   55.464  297.131   81.916  165.544   13.535  147.117   23.055 18.42793 26.73444 
1 1 1    9    4   38 o   77.933   14.906   81.201   27.952   81.072   32.824   81.541   53.318   77.100   17.455   76.637   24.588 0.4623337 30.15369 
1 1 1    9    4   39 o   84.435   19.907   99.672   41.291  170.546   60.998   39.725   56.098  109.415   23.052   62.297   24.536 47.11836 33.66628 
1 1 1    9    4   40 o   36.776   15.699   1.9562   25.484  -7.4665   29.891   27.035   48.764   36.662   16.292   55.885   22.584 -19.22240 27.84705 
1 1 1    9    4   41 o  121.602   13.304  195.005   39.739  210.659   47.739  159.685   71.711  125.236   15.603  101.599   27.564 23.63696 31.67413 
1 1 1    9    4   42 o   82.763   17.309   95.821   34.623   87.269   41.070  116.827   64.368   77.394   20.803   86.425   26.927 -9.030830 34.02690 
1 1 1    9    4   43 o   83.753   18.655  100.887   38.016  138.442   46.069   20.734   67.304   97.930   19.523   58.201   25.186 39.72927 31.86702 
1 1 1    9    5    0 o  409.813   13.688  2103.60  140.079  2121.36  198.155  2085.86  198.048  410.897   19.312  407.424   19.466 3.473053 27.42015 
1 1 1    9    5    1 o  407.376   13.722  2078.75  139.597  2108.01  197.466  2049.52  197.375  409.592   19.306  403.833   19.572 5.758179 27.49161 
1 1 1    9    5    2 o  736.194   22.719  6826.45  417.674  6738.39  590.586  6914.56  590.774  728.137   32.480  737.758   32.067 -9.620972 45.64265 
1 1 1    9    5    3 o  271.025   10.191  918.736   68.973  949.915   97.657  887.703   97.428  274.991   14.270  265.753   14.739 9.237823 20.51513 
1 1 1    9    5    4 o  582.977   18.452  4266.80  268.630  4276.95  379.957  4256.66  379.843  582.072   26.140  580.676   26.195 1.395874 37.00655 
1 1 1    9    5    5 o  581.957   20.970  4257.37  304.751  4574.19  528.705  4099.73  372.940  598.466   35.537  570.004   26.201 28.46216 44.15105 
1 1 1    9    5    6 o  999.016   43.693 12813.02  1090.03 12813.02  1090.03   0.0000   0.0000  999.016   43.693  ?   ?  0.000000 43.69318 
1 1 1    9    5    7 o  341.189   11.973  1456.43  102.010  1452.38  144.266  1460.48  144.262  340.367   16.973  341.318   16.925 -0.9509888 23.97001 
1 1 1    9    5    8 o  370.881   12.786  1721.27  118.415  1733.92  167.471  1708.62  167.456  371.837   18.036  369.102   18.168 2.734406 25.60006 
1 1 1    9    5    9 o  332.672   11.405  1384.17   94.746  1463.17  134.120  1305.47  133.861  341.775   15.715  322.340   16.687 19.43530 22.92177 
1 1 1    9    5   10 o  432.351   14.383  2340.08  155.283  2349.46  219.657  2330.71  219.550  432.653   20.331  430.915   20.403 1.738312 28.80313 
1 1 1    9    5   11 o  213.088   9.4004  567.568   50.021  531.042   70.798  603.976   70.684  205.519   13.876  219.326   12.963 -13.80727 18.98927 
1 1 1    9    5   12 o  503.810   16.212  3179.63  203.958  3132.17  288.484  3227.06  288.397  499.190   23.142  506.745   22.790 -7.555542 32.48014 
1 1 1    9    5   13 o  240.702   9.7845  724.282   58.812  746.976   83.343  701.774   83.004  243.915   13.739  236.358   14.128 7.557816 19.70658 
1 1 1    9    5   14 o  698.163   21.672  6123.57  377.841  6211.27  534.564  6036.02  534.133  701.031   30.536  690.954   30.956 10.07660 43.48267 
1 1 1    9    5   15 o  320.929   11.594  1288.39   92.920  1292.69  131.647  1284.13  131.173  320.740   16.492  319.673   16.488 1.066376 23.32057 
1 1 1    9    5   16 o  321.496   11.553  1293.13   92.749  1342.33  131.580  1244.55  130.759  327.247   16.101  314.618   16.703 12.62854 23.20016 
1 1 1    9    5   17 o  306.279   11.151  1173.70   85.283  1228.29  121.101  1120.00  120.122  313.017   15.493  298.415   16.180 14.60236 22.40130 
1 1 1    9    5   18 o  621.503   27.790  4894.34  431.298  5061.87  610.644  4727.58  609.253  626.412   39.235  604.617   40.588 21.79468 56.45113 
1 1 1    9    5   19 o  206.946   13.362  539.048   68.685  549.139   98.155  529.365   96.148  208.023   19.109  204.218   19.074 3.805054 26.99953 
1 1 1    9    5   20 o  395.106   13.418  1958.13  132.389  1889.67  187.127  2026.74  187.326  387.181   19.354  401.104   18.702 -13.92319 26.91369 
1 1 1    9    5   21 o  398.059   13.550  1989.17  134.689  2124.36  190.509  1854.06  190.450  410.386   18.590  382.581   20.004 27.80469 27.30822 
1 1 1    9    5   22 o  184.062   8.9584  424.176   41.176  465.543   57.831  381.642   58.641  192.235   12.109  173.753   13.624 18.48196 18.22761 
1 1 1    9    5   23 o  346.526   12.439  1508.40  107.640  1566.38  151.814  1449.79  152.641  352.143   17.264  338.114   18.145 14.02902 25.04541 
1 1 1    9    5   24 o  170.999   8.8687  367.321   37.741  388.181   52.089  344.268   54.758  175.376   11.965  164.872   13.416 10.50409 17.97691 
1 1 1    9    5   25 f  427.181   21.482  2333.36  228.428  2599.43  321.107  2060.77  325.021  446.739   28.939  394.932   33.266 51.80704 44.09207 
1 1 1    9    5   26 o  162.609   13.254  335.179   53.351  349.592   68.674  313.237   84.730  165.343   16.869  154.951   22.560 10.39142 28.16884 
1 1 1    9    5   27 o  258.268   10.682  837.771   68.895  843.012   95.152  831.996   99.884  257.960   14.834  256.043   15.698 1.917053 21.59750 
1 1 1    9    5   28 o  153.829   9.6040  298.064   36.708  320.009   48.033  267.248   56.918  159.003   12.190  144.452   16.050 14.55031 20.15456 
1 1 1    9    5   29 o  224.897   10.507  635.384   59.005  653.174   79.265  613.273   88.368  227.061   14.048  219.451   16.241 7.609848 21.47354 
1 1 1    9    5   30 o  149.180   11.180  281.410   41.347  300.577   49.789  238.819   74.219  153.859   13.083  134.572   22.906 19.28667 26.37897 
1 1 1    9    5   31 o  176.600   13.802  396.219   60.382  421.197   85.865  371.782   84.929  180.671   19.332  169.271   20.511 11.40041 28.18518 
1 1 1    9    5   32 o  170.076   11.361  365.760   47.972  378.984   57.978  337.053   85.425  172.686   13.554  160.500   21.884 12.18614 25.74136 
1 1 1    9    5   33 o   43.870   14.729   22.939   19.043   23.662   21.405   20.194   41.703   45.236   15.608   52.990   21.064 -7.753922 26.21675 
1 1 1    9    5   34 o   80.836   13.310   84.840   25.933   96.160   30.319   53.980   50.059   85.872   14.665   67.724   23.839 18.14761 27.98883 
1 1 1    9    5   35 o  149.869   11.440  285.554   42.491  296.666   51.155  260.826   76.311  152.223   13.600  139.604   22.667 12.61909 26.43431 
1 1 1    9    5   36 o  129.137   18.175  219.804   56.989  219.804   56.989   0.0000   0.0000  129.137   18.175  ?   ?  0.000000 18.17516 
1 1 1    9    5   37 o  267.122   12.977  911.597   86.567  1012.66  105.775  706.623  150.642  280.001   15.185  225.460   27.314 54.54077 31.25064 
1 1 1    9    5   38 o  120.715   12.006  187.954   35.713  219.381   43.077  118.871   63.866  129.994   13.465   91.057   26.491 38.93710 29.71693 
1 1 1    9    5   39 o   96.852   13.579  123.332   31.940  156.950   38.404   47.908   57.524  109.124   14.448   65.411   25.101 43.71329 28.96229 
1 1 1    9    5   40 o   74.043   16.170   74.792   29.061   70.105   34.557   86.111   53.705   70.931   19.089   77.604   24.654 -6.673622 31.18049 
1 1 1    9    5   41 o  101.781   19.255  144.336   47.148  208.268   70.965   93.816   63.084  119.212   24.652   79.981   26.808 39.23056 36.41969 
1 1 1    9    5   42 o   98.126   15.251  130.205   36.157  149.378   43.892   89.721   63.779  104.045   17.515   77.756   26.935 26.28918 32.12956 
1 1 1    9    5   43 o   52.260   18.997   34.078   32.068   45.370   39.055   10.711   56.182   58.545   21.008   53.036   22.981 5.508991 31.13661 
1 1 1    9    6    0 o  1082.48   33.029 14886.34  892.826 15015.04  1262.79 14757.70  1262.50  1077.77   46.920  1068.17   47.330 9.595703 66.64556 
1 1 1    9    6    1 o  393.319   13.386  1937.21  131.472  1949.06  185.964  1925.37  185.894  393.951   18.903  391.536   19.013 2.414276 26.81073 
1 1 1    9    6    2 o  731.750   22.616  6741.52  413.271  6757.42  584.507  6725.63  584.400  729.561   32.083  727.816   32.154 1.744934 45.42274 
1 1 1    9    6    3 o  264.933   10.167  877.840   67.266  900.356   95.226  855.416   95.031  267.714   14.296  260.887   14.646 6.826965 20.46644 
1 1 1    9    6    4 o  411.090   13.778  2116.35  141.442  2133.86  200.094  2098.86  199.964  412.181   19.440  408.768   19.590 3.413086 27.59822 
1 1 1    9    6    5 o  701.672   21.794  6191.97  381.882  6239.69  540.180  6144.30  539.945  701.846   30.821  696.387   31.049 5.459656 43.74897 
1 1 1    9    6    6 o  833.021   25.542  8746.95  531.335  8723.86  751.417  8770.04  751.426  827.922   36.345  830.153   36.247 -2.230713 51.33045 
1 1 1    9    6    7 o  496.668   15.927  3091.03  197.542  3062.34  279.339  3119.73  279.394  493.457   22.669  498.091   22.462 -4.634125 31.91308 
1 1 1    9    6    8 o  894.068   27.348 10081.64  610.592 10129.63  863.590 10033.68  863.426  891.693   38.783  887.377   38.964 4.316101 54.97574 
1 1 1    9    6    9 o  435.085   14.249  2369.83  154.816  2480.89  219.085  2259.06  218.801  444.624   19.732  424.178   20.656 20.44632 28.56617 
1 1 1    9    6   10 o  500.515   16.187  3138.34  202.320  3133.51  286.173  3143.16  286.073  499.293   22.952  500.068   22.909 -0.7748718 32.42839 
1 1 1    9    6   11 o  479.803   15.598  2883.14  186.887  2870.52  264.344  2895.74  264.253  478.016   22.145  480.125   22.040 -2.109131 31.24370 
1 1 1    9    6   12 o  1006.78   30.521 12802.90  767.331 12602.51  1085.01 13003.42  1085.33  992.858   43.762  1008.89   43.079 -16.03345 61.40779 
1 1 1    9    6   13 o  239.326   9.9394  716.047   59.402  669.757   84.165  761.992   83.849  230.828   14.678  246.369   13.683 -15.54111 20.06616 
1 1 1    9    6   14 o  209.455   9.1476  548.373   47.847  602.164   68.079  495.871   67.258  219.030   12.499  198.578   13.646 20.45164 18.50496 
1 1 1    9    6   15 o  410.956   13.794  2114.16  141.554  2178.66  200.488  2050.05  199.889  416.664   19.269  404.121   19.807 12.54315 27.63357 
1 1 1    9    6   16 o  334.389   11.690  1398.93   97.614  1464.25  138.442  1334.34  137.656  341.791   16.220  325.780   16.980 16.01151 23.48193 
1 1 1    9    6   17 o  368.502   12.606  1699.87  115.999  1785.35  164.462  1615.25  163.637  377.209   17.460  358.235   18.354 18.97345 25.33167 
1 1 1    9    6   18 o  479.811   15.675  2887.48  187.810  2809.77  265.739  2965.03  265.468  472.177   22.537  485.171   21.911 -12.99393 31.43288 
1 1 1    9    6   19 o  272.114   10.275  926.591   69.823  1015.46   99.246  839.501   98.249  284.597   13.965  258.215   15.305 26.38184 20.71867 
1 1 1    9    6   20 o  416.409   19.962  2185.99  207.580  2157.82  294.069  2213.98  293.058  410.628   28.861  416.129   28.371 -5.500793 40.47089 
1 1 1    9    6   21 o  294.685   15.876  1095.06  116.397  1057.99  165.252  1131.57  163.978  288.035   23.171  298.197   22.179 -10.16229 32.07500 
1 1 1    9    6   22 o  230.430   9.1720  664.796   52.778  650.145   74.350  679.677   74.933  227.173   13.162  232.321   12.968 -5.147949 18.47746 
1 1 1    9    6   23 o  155.917   8.3689  305.197   32.465  305.127   44.921  305.275   46.974  155.501   11.653  155.461   12.198 0.4011536E-01 16.86947 
1 1 1    9    6   24 o  313.929   11.430  1237.23   89.603  1232.07  126.093  1242.50  127.353  312.002   16.240  313.298   16.335 -1.295837 23.03379 
1 1 1    9    6   25 o  376.380   13.130  1782.68  123.406  1895.15  174.007  1668.87  175.042  386.742   18.018  361.996   19.435 24.74548 26.50172 
1 1 1    9    6   26 o  231.236   9.8773  670.773   57.036  687.545   79.034  652.546   82.391  233.228   13.629  226.986   14.613 6.242157 19.98269 
1 1 1    9    6   27 o  372.127   20.656  1771.42  191.192  2168.20  267.258  1355.51  273.627  408.852   26.316  318.209   35.014 90.64255 43.80107 
1 1 1    9    6   28 o  470.136   15.879  2796.32  186.427  2969.05  262.385  2620.23  264.929  481.651   21.815  450.975   23.607 30.67529 32.14313 
1 1 1    9    6   29 o  105.452   11.432  141.431   29.622  136.987   40.821  146.374   43.051  102.766   16.463  106.230   16.787 -3.464119 23.51184 
1 1 1    9    6   30 o  125.320   12.454  199.694   38.457  199.694   38.457   0.0000   0.0000  125.320   12.454  ?   ?  0.000000 12.45352 
1 1 1    9    6   31 o  112.655   10.856  161.002   30.161  157.948   35.854  168.394   55.786  111.154   13.173  113.117   20.504 -1.962250 24.37114 
1 1 1    9    6   32 o  335.373   14.105  1421.71  118.129  1486.51  144.424  1290.72  205.329  342.020   16.910  313.804   26.449 28.21567 31.39251 
1 1 1    9    6   33 o   45.927   17.817   17.396   29.220   3.0312   42.716   30.029   40.058   48.253   20.453   55.824   21.059 -7.571457 29.35632 
1 1 1    9    6   34 o  249.754   12.281  787.722   76.594  842.244   93.370  675.544  133.929  257.264   14.594  226.605   24.035 30.65903 28.11840 
1 1 1    9    6   35 o  219.404   11.642  609.895   63.556  632.153   77.333  563.572  111.562  222.678   13.978  207.100   21.904 15.57744 25.98418 
1 1 1    9    6   36 o   72.705   14.434   69.692   25.281   72.302   29.551   62.566   48.826   73.667   16.477   70.260   23.585 3.406578 28.76998 
1 1 1    9    6   37 o  218.076   12.022  606.361   65.218  655.563   79.580  505.732  113.809  225.876   14.181  193.126   24.125 32.74936 27.98384 
1 1 1    9    6   38 o  143.509   18.986  274.980   66.370  274.980   66.370   0.0000   0.0000  143.509   18.986  ?   ?  0.000000 18.98623 
1 1 1    9    6   39 o   80.246   15.253   86.180   29.449   98.076   35.226   58.568   53.667   85.079   17.172   68.298   24.614 16.78182 30.01227 
1 1 1    9    6   40 o  102.154   13.360  137.021   33.265  155.576   40.055   95.785   59.714  108.195   15.248   81.621   26.004 26.57401 30.14489 
1 1 1    9    6   41 o   40.204   16.337   10.594   25.676   15.193   30.528  -0.5243   47.465   44.571   17.919   47.994   20.956 -3.423031 27.57217 
1 1 1    9    6   42 o  158.909   12.648  329.853   49.774  372.054   61.327  248.403   85.200  167.485   14.816  127.731   27.523 39.75343 31.25728 
1 1 1    9    6   43 o   60.388   21.855   47.743   42.372   50.876   64.886   45.413   55.949   65.817   26.240   62.411   24.528 3.405807 35.91859 
1 1 1    9    6   44 o   79.931   18.877   92.161   37.077  107.394   46.121   64.332   62.341   84.797   21.693   68.177   26.138 16.62042 33.96728 
1 1 1    9    7    0 o  235.601   11.253  694.408   66.205  696.011   80.900  691.157  115.196  235.354   13.826  233.733   19.927 1.620758 24.25322 
1 1 1    9    7    1 o  740.474   22.917  6902.00  423.758  6849.05  599.234  6954.96  599.333  734.563   32.668  740.312   32.419 -5.749451 46.02367 
1 1 1    9    7    2 o  832.647   25.544  8744.75  531.137  8789.30  751.221  8700.21  751.063  830.541   36.221  826.238   36.402 4.302856 51.35181 
1 1 1    9    7    3 o  348.203   12.213  1517.36  106.192  1476.21  150.132  1558.57  150.225  342.576   17.609  352.511   17.065 -9.934998 24.52161 
1 1 1    9    7    4 o  785.458   34.165  7840.69  670.122   0.0000   0.0000  7840.69  670.122  ?   ?   785.458   34.165 0.000000 34.16489 
1 1 1    9    7    5 o  247.520   14.138  769.717   87.025  769.717   87.025   0.0000   0.0000  247.520   14.138  ?   ?  0.000000 14.13807 
1 1 1    9    7    6 o  539.284   17.221  3646.82  231.909  3654.14  328.015  3639.51  327.922  538.670   24.385  537.583   24.427 1.086975 34.51538 
1 1 1    9    7    7 o  158.359   8.5384  314.345   33.640  295.229   47.577  333.457   47.572  153.090   12.556  162.842   11.778 -9.751419 17.21535 
1 1 1    9    7    8 o  611.655   19.154  4694.32  292.564  4700.59  413.777  4688.05  413.720  610.554   27.139  609.732   27.172 0.8218384 38.40333 
1 1 1    9    7    9 o  840.823   25.737  8903.54  540.402  8932.11  764.309  8874.99  764.178  838.550   36.500  835.821   36.613 2.729431 51.69824 
1 1 1    9    7   10 o  680.623   20.735  5815.77  352.420  5956.66  498.593  5675.10  498.201  687.015   29.062  670.409   29.759 16.60663 41.59560 
1 1 1    9    7   11 o  154.830   8.5376  300.499   32.882  286.912   46.500  314.089   46.505  150.930   12.448  158.021   11.872 -7.090942 17.20183 
1 1 1    9    7   12 o  1200.34   36.394 18288.08  1090.90 18010.13  1542.49 18566.22  1543.04  1180.97   52.304  1199.66   51.507 -18.69373 73.40746 
1 1 1    9    7   13 o  642.090   20.055  5173.86  321.572  5133.96  454.800  5213.76  454.744  637.955   28.548  642.945   28.323 -4.990479 40.21450 
1 1 1    9    7   14 o  950.240   28.883 11396.20  685.364 11747.44  969.737 11045.67  968.766  959.842   40.458  930.125   41.709 29.71765 58.10732 
1 1 1    9    7   15 o  788.524   24.129  7824.64  475.117  7816.18  672.029  7833.08  671.805  784.974   34.283  785.840   34.234 -0.8659058 48.44903 
1 1 1    9    7   16 o  507.350   16.339  3226.34  207.000  3309.49  293.044  3143.54  292.442  512.898   22.880  499.782   23.432 13.11630 32.74965 
1 1 1    9    7   17 o  393.498   13.196  1938.66  129.670  2031.53  183.774  1846.59  182.990  402.302   18.293  383.461   19.110 18.84143 26.45395 
1 1 1    9    7   18 o  630.130   19.753  4992.30  310.822  5066.52  439.812  4918.24  439.324  632.638   27.839  623.191   28.230 9.446899 39.64819 
1 1 1    9    7   19 o  586.912   18.510  4331.10  271.292  4451.49  384.028  4211.15  383.302  593.032   25.932  576.591   26.621 16.44141 37.16360 
1 1 1    9    7   20 o  424.680   13.706  2261.79  145.348  2298.48  205.872  2225.32  205.236  427.191   19.299  420.289   19.555 6.901947 27.47415 
1 1 1    9    7   21 o  305.850   10.939  1171.76   83.548  1267.68  118.427  1076.72  117.883  317.680   14.928  292.179   16.220 25.50055 22.04445 
1 1 1    9    7   22 o  294.458   15.432  1093.59  113.083  1235.59  161.276  956.255  158.603  311.798   20.833  273.447   23.454 38.35153 31.37028 
1 1 1    9    7   23 f  257.891   14.748  839.562   94.585  833.345  134.777  845.595  132.771  255.424   21.325  257.438   20.831 -2.013336 29.81130 
1 1 1    9    7   24 o  159.504   8.4718  319.474   33.623  331.246   46.707  306.812   48.441  162.027   11.621  155.765   12.560 6.262726 17.11151 
1 1 1    9    7   25 o  501.235   16.339  3174.03  204.511  3258.58  288.839  3089.02  289.607  505.027   22.903  491.366   23.602 13.66061 32.88784 
1 1 1    9    7   26 o  161.126   9.1620  326.479   36.712  366.311   50.192  280.651   53.837  170.311   11.876  148.462   14.715 21.84906 18.90979 
1 1 1    9    7   27 o  329.451   12.324  1365.40  101.391  1432.33  142.106  1295.99  144.707  335.889   16.997  319.060   18.238 16.82962 24.93044 
1 1 1    9    7   28 f  316.257   11.861  1257.88   93.673  1324.22  130.585  1187.56  134.447  323.493   16.165  305.456   17.702 18.03687 23.97224 
1 1 1    9    7   29 o  153.174   28.063  313.593  103.386   0.0000   0.0000  313.593  103.386  ?   ?   153.174   28.063 0.000000 28.06291 
1 1 1    9    7   30 o  146.818   10.864  272.332   39.547  314.453   47.750  180.338   70.568  157.589   12.230  116.111   25.072 41.47783 27.89544 
1 1 1    9    7   31 o  149.371   10.596  281.750   39.269  296.908   47.407  248.609   70.096  153.026   12.515  137.928   21.015 15.09746 24.45973 
1 1 1    9    7   32 o  271.745   11.999  930.018   81.426  963.879   99.490  861.320  141.711  275.737   14.500  257.975   22.214 17.76260 26.52757 
1 1 1    9    7   33 o   64.392   14.019   54.415   21.903   67.317   25.308   15.906   43.722   71.670   14.636   52.610   21.341 19.05976 25.87712 
1 1 1    9    7   34 o  112.935   11.422  162.326   31.769  160.613   37.853  166.408   58.429  111.837   13.850  111.829   21.706 0.7942200E-02 25.74819 
1 1 1    9    7   35 o  144.782   14.536  268.786   51.844  247.723   75.002  288.058   71.743  136.353   22.834  148.319   19.870 -11.96628 30.26893 
1 1 1    9    7   36 o  104.888   11.753  140.880   30.254  152.836   36.024  112.264   55.732  108.875   13.543   90.656   24.175 18.21902 27.70986 
1 1 1    9    7   37 o   37.992   15.013   10.677   21.069   14.000   24.415   0.9839   41.696   41.539   16.239   46.660   20.004 -5.120583 25.76544 
1 1 1    9    7   38 o  187.963   11.793  451.337   55.071  486.136   67.184  380.068   96.147  194.243   13.943  166.763   23.760 27.47964 27.54891 
1 1 1    9    7   39 o   58.772   16.657   46.370   25.565   55.033   30.352   25.214   47.430   63.771   18.176   55.766   22.365 8.004276 28.81932 
1 1 1    9    7   40 o  152.227   19.906  315.123   73.858  315.123   73.858   0.0000   0.0000  152.227   19.906  ?   ?  0.000000 19.90596 
1 1 1    9    7   41 o   92.290   14.731  113.604   32.807  114.075   39.955  112.628   57.479   91.070   18.205   87.792   25.009 3.278290 30.93372 
1 1 1    9    7   42 o   82.612   16.800   93.655   33.479  119.941   41.147   42.171   57.586   93.042   18.361   62.828   24.823 30.21481 30.87577 
1 1 1    9    7   43 o   66.310   18.680   61.948   32.253   90.250   39.717   7.1386   55.271   79.380   20.035   52.497   22.771 26.88358 30.32976 
1 1 1    9    7   44 o   59.859   22.138   46.379   43.833   42.686   68.480   48.941   57.051   64.038   26.426   63.304   24.802 0.7336197 36.24184 
1 1 1    9    8    0 o  984.030   63.252 12841.01  1546.07 12841.01  1546.07   0.0000   0.0000  984.030   63.252  ?   ?  0.000000 63.25238 
1 1 1    9    8    1 o  1034.45   36.570 13626.38  944.673 13567.11  1156.80 13745.02  1636.74  1026.99   45.107  1016.28   64.832 10.71570 78.97939 
1 1 1    9    8    2 f  872.626   30.962  9643.88  674.685  9703.61  826.319  9524.41  1168.58  872.244   37.937  852.678   55.177 19.56616 66.96044 
1 1 1    9    8    3 f  864.906   26.527  9438.19  572.943  9434.18  810.300  9442.21  810.227  860.172   37.723  860.548   37.703 -0.3753052 53.33474 
1 1 1    9    8    4 o  296.941   10.718  1102.80   79.476  1107.65  112.383  1097.95  112.410  296.953   15.206  295.638   15.278 1.314972 21.55600 
1 1 1    9    8    5 f  545.188   17.192  3727.09  234.062  3809.50  331.140  3644.81  330.887  550.049   24.108  537.928   24.632 12.12054 34.46650 
1 1 1    9    8    6 f  397.042   13.445  1973.33  133.305  1935.95  188.471  2010.76  188.572  392.742   19.217  400.295   18.865 -7.553406 26.92887 
1 1 1    9    8    7 o  509.878   16.278  3257.86  207.255  3287.63  293.165  3228.11  293.040  511.285   22.961  506.603   23.164 4.681915 32.61572 
1 1 1    9    8    8 o  821.997   25.197  8508.16  517.214  8602.20  731.579  8414.19  731.323  823.084   35.593  813.890   35.983 9.193787 50.61246 
1 1 1    9    8    9 o  1154.22   34.836 16896.60  1004.07 17091.55  1420.25 16701.80  1419.69  1151.86   49.376  1138.25   49.947 13.61597 70.23258 
1 1 1    9    8   10 o  514.775   23.431  3331.91  301.198  3233.93  425.524  3430.29  426.394  504.120   34.000  519.530   33.038 -15.41052 47.40813 
1 1 1    9    8   11 o  860.978   37.599  9420.36  808.390  9521.56  1143.23  9319.16  1143.24  856.330   53.734  846.772   54.353 9.557617 76.42996 
1 1 1    9    8   12 o  498.078   22.791  3117.75  283.475  3028.66  400.551  3207.16  401.240  488.094   33.058  502.577   32.139 -14.48328 46.10546 
1 1 1    9    8   13 o  1055.30   45.966 14278.18  1211.33 14608.12  1713.45 13948.54  1712.71  1051.60   65.575  1026.10   67.213 25.50574 93.90216 
1 1 1    9    8   14 o  559.247   25.225  3937.39  352.277  3995.29  498.200  3879.49  498.191  559.930   35.818  551.548   36.375 8.382874 51.04990 
1 1 1    9    8   15 o  1068.54   46.661 14676.88  1245.06 14745.73  1760.89 14608.05  1760.69  1053.11   67.310  1047.85   67.648 5.265991 95.43056 
1 1 1    9    8   16 o  792.478   24.341  7908.41  481.693  8063.81  681.582  7753.33  680.853  796.927   34.249  781.185   34.902 15.74274 48.89928 
1 1 1    9    8   17 o  595.962   18.849  4459.35  280.509  4408.17  396.826  4510.47  396.573  590.838   26.896  597.736   26.568 -6.897888 37.80539 
1 1 1    9    8   18 o  439.084   14.377  2415.98  157.638  2558.08  223.426  2275.11  222.445  451.076   19.835  425.227   20.948 25.84839 28.84904 
1 1 1    9    8   19 o  431.163   14.425  2330.82  155.315  2375.27  219.935  2286.61  219.364  434.376   20.276  426.134   20.614 8.242767 28.91464 
1 1 1    9    8   20 o  328.593   11.796  1352.44   96.792  1363.98  137.164  1340.99  136.606  329.043   16.748  326.238   16.825 2.805878 23.74038 
1 1 1    9    8   21 o  599.325   18.950  4527.15  283.604  4706.05  401.428  4348.87  400.725  608.372   26.423  584.409   27.459 23.96307 38.10736 
1 1 1    9    8   22 o  516.851   16.293  3362.26  210.283  3568.75  297.762  3156.81  297.009  530.577   22.473  498.539   23.857 32.03793 32.77534 
1 1 1    9    8   23 o  384.889   13.289  1861.02  127.726  1877.26  180.574  1844.75  180.691  385.398   18.763  382.002   18.942 3.396362 26.66134 
1 1 1    9    8   24 o  148.856   10.799  279.372   39.869  352.407   69.988  244.285   48.510  166.201   17.108  138.617   14.215 27.58452 22.24284 
1 1 1    9    8   25 o  688.299   31.108  6162.79  534.684  6486.02  757.225  5841.37  755.094  691.205   44.100  652.784   46.628 38.42126 64.17941 
1 1 1    9    8   26 o   98.000   9.4605  121.516   22.864  129.982   30.236  110.210   34.942  100.957   12.244   92.176   15.746 8.781013 19.94582 
1 1 1    9    8   27 o  333.625   12.563  1400.42  104.665  1467.31  146.921  1331.49  149.142  339.898   17.368  323.357   18.548 16.54123 25.40948 
1 1 1    9    8   28 o  138.640   8.8780  241.924   30.575  216.474   40.116  277.199   47.229  130.581   12.453  147.826   12.924 -17.24533 17.94728 
1 1 1    9    8   29 o  250.902   11.894  791.824   74.522  808.845   86.975  744.820  144.533  252.893   13.825  239.373   24.525 13.52032 28.15338 
1 1 1    9    8   30 o  221.629   11.185  618.969   61.702  644.836   75.345  566.301  107.513  225.776   13.424  209.580   20.818 16.19606 24.77120 
1 1 1    9    8   31 o  128.678   16.518  213.158   51.853  213.158   51.853   0.0000   0.0000  128.678   16.518  ?   ?  0.000000 16.51803 
1 1 1    9    8   32 o  207.985   11.229  545.653   58.104  560.161   70.868  515.899  101.488  210.254   13.570  199.808   20.637 10.44623 24.69897 
1 1 1    9    8   33 o  151.116   10.626  288.518   39.842  281.185   48.144  304.453   70.973  148.718   13.097  153.372   18.933 -4.654053 23.02151 
1 1 1    9    8   34 o  257.406   12.393  835.945   79.662  871.394   97.326  763.987  138.663  261.785   14.950  241.964   23.234 19.82083 27.62855 
1 1 1    9    8   35 o  199.385   11.256  502.780   55.816  501.208   67.819  506.079   98.265  198.448   13.770  197.293   20.231 1.154831 24.47306 
1 1 1    9    8   36 o  103.719   16.245  140.587   40.694  152.277   59.969  130.610   55.402  105.960   23.298   98.093   23.014 7.867043 32.74800 
1 1 1    9    8   37 o  128.155   11.549  209.641   36.562  207.396   44.173  214.525   65.152  126.763   14.198  126.483   21.390 0.2797241 25.67331 
1 1 1    9    8   38 f   31.978   13.954  -3.4654   21.014 -12.3175   24.428   21.738   41.218   31.822   14.386   52.617   20.933 -20.79484 25.40030 
1 1 1    9    8   39 o   43.384   15.928   20.122   22.623   28.652   26.771  -1.1845   42.312   49.398   17.429   46.042   19.947 3.356564 26.48846 
1 1 1    9    8   40 o  105.040   13.318  144.169   34.148  148.189   41.427  135.646   60.314  105.418   16.260   97.219   24.772 8.198524 29.63208 
1 1 1    9    8   41 o  102.128   22.418  147.895   55.604  147.895   55.604   0.0000   0.0000  102.128   22.418  ?   ?  0.000000 22.41751 
1 1 1    9    8   42 o   61.511   18.654   51.776   31.145   50.277   37.766   54.961   55.068   61.517   20.742   66.442   24.765 -4.924175 32.30379 
1 1 1    9    8   43 o   27.516   13.269 -39.1874   27.250 -19.3927   33.801 -75.9336   46.054   36.018   16.527   33.960   16.576 2.057331 23.40798 
1 1 1    9    8   44 o   43.956   18.219   11.762   32.759   6.2891   41.195   21.178   54.032   46.246   19.856   55.178   23.174 -8.932461 30.51723 
1 1 1    9    9    0 o  473.392   31.570  2849.59  371.060  2849.59  371.060   0.0000   0.0000  473.392   31.570  ?   ?  0.000000 31.56969 
1 1 1    9    9    1 o  764.011   48.770  7562.69  925.608  7562.69  925.608   0.0000   0.0000  764.011   48.770  ?   ?  0.000000 48.76957 
1 1 1    9    9    2 o  870.606   29.856  9584.63  649.098  9112.60  794.283 10533.67  1126.25  845.775   37.607  901.094   50.251 -55.31818 62.76514 
1 1 1    9    9    3 o  754.402   26.905  7179.81  506.861  7361.48  621.039  6817.38  877.165  762.044   32.635  725.210   48.719 36.83392 58.63932 
1 1 1    9    9    4 o   85.669   10.038   93.022   21.068  104.461   25.364   67.571   37.835   90.666   11.459   72.331   20.181 18.33536 23.20737 
1 1 1    9    9    5 o  420.069   14.084  2209.39  147.740  2184.50  208.910  2234.29  208.963  417.101   20.057  421.853   19.836 -4.752319 28.20922 
1 1 1    9    9    6 o  187.321   8.8975  438.599   41.620  425.854   58.868  451.337   58.852  184.020   12.892  189.510   12.506 -5.489578 17.96125 
1 1 1    9    9    7 o  1157.45   34.937 17004.25  1009.81 17158.05  1428.26 16850.53  1427.91  1153.18   49.597  1142.46   50.051 10.71924 70.46255 
1 1 1    9    9    8 o  896.323   27.311 10130.11  611.304 10189.01  864.615 10071.25  864.413  894.529   38.706  889.246   38.927 5.283081 54.89489 
1 1 1    9    9    9 o  1205.15   52.710 18789.49  1586.29 18510.47  2242.69 19068.84  2244.00  1171.19   77.113  1190.15   75.900 -18.96912 108.1999 
1 1 1    9    9   10 o  219.006   13.413  602.490   73.003  637.238  102.813  567.155  103.677  224.671   18.489  211.679   19.845 12.99146 27.12359 
1 1 1    9    9   11 o  236.755   13.891  703.980   81.770  746.417  115.293  661.029  115.989  243.194   19.139  228.573   20.540 14.62091 28.07498 
1 1 1    9    9   12 o  794.769   34.815  8007.96  690.978  8014.44  977.015  8001.49  977.365  787.388   49.948  786.717   50.009 0.6712036 70.68015 
1 1 1    9    9   13 o  1194.22   36.072 18103.99  1075.74 18151.73  1521.44 18056.25  1521.22  1185.83   51.379  1182.61   51.511 3.223022 72.75412 
1 1 1    9    9   14 o  935.686   32.041 11078.87  748.652 11124.84  917.112 10987.03  1296.12  934.495   39.300  917.247   56.867 17.24884 69.12527 
1 1 1    9    9   15 o  579.029   26.008  4224.91  376.064  4184.25  531.659  4265.61  532.011  572.295   37.407  577.977   37.056 -5.681030 52.65392 
1 1 1    9    9   16 o  576.366   25.885  4188.08  372.555  4335.22  527.057  4041.15  526.688  582.600   36.410  561.943   37.752 20.65686 52.44894 
1 1 1    9    9   17 o  856.710   37.531  9366.97  802.921  9575.87  1135.84  9158.33  1135.16  855.309   53.447  835.474   54.712 19.83521 76.48520 
1 1 1    9    9   18 o  458.700   21.345  2648.10  244.496  2647.26  345.851  2648.94  345.689  455.763   30.565  455.915   30.540 -0.1523132 43.20763 
1 1 1    9    9   19 o  608.400   19.097  4655.15  290.134  4809.89  410.793  4501.14  409.831  616.319   26.691  595.941   27.539 20.37762 38.35129 
1 1 1    9    9   20 o  335.308   12.209  1408.54  102.231  1344.67  144.915  1471.82  144.240  326.520   17.840  342.235   16.878 -15.71451 24.55859 
1 1 1    9    9   21 o  729.360   22.725  6730.85  413.909  6666.34  585.421  6795.32  585.291  720.893   32.520  728.027   32.194 -7.134033 45.75998 
1 1 1    9    9   22 o  467.851   15.246  2751.84  178.123  2900.43  252.245  2604.06  251.564  478.817   21.096  453.372   22.220 25.44482 30.63944 
1 1 1    9    9   23 o  556.561   17.659  3908.69  245.425  4069.95  347.361  3747.95  346.808  565.135   24.614  541.857   25.630 23.27740 35.53518 
1 1 1    9    9   24 o  183.419   8.9610  421.355   41.044  433.894   57.778  408.581   58.317  185.438   12.551  179.840   13.075 5.597397 18.12405 
1 1 1    9    9   25 o  308.354   11.253  1193.56   86.646  1248.04  122.259  1138.59  122.816  314.546   15.565  299.820   16.467 14.72507 22.65885 
1 1 1    9    9   26 o  293.255   13.221  1082.33   96.821  1203.48  167.846  1021.91  118.529  306.332   22.090  283.787   16.800 22.54507 27.75266 
1 1 1    9    9   27 o  203.194   13.544  522.292   68.329  519.144   98.549  525.206   94.821  201.085   19.886  202.513   18.971 -1.428009 27.48383 
1 1 1    9    9   28 o  181.965   14.857  420.665   66.920   0.0000   0.0000  420.665   66.920  ?   ?   181.965   14.857 0.000000 14.85662 
1 1 1    9    9   29 o  159.363   10.352  320.173   40.973  327.913   49.806  303.970   72.066  160.938   12.491  153.444   19.230 7.493942 22.93034 
1 1 1    9    9   30 o  289.151   12.639  1052.77   91.261  1066.44  111.670  1025.26  158.355  290.021   15.475  281.900   22.687 8.120789 27.46229 
1 1 1    9    9   31 o  289.880   13.016  1058.94   94.223  1062.05  115.233  1052.67  163.673  289.198   16.019  285.332   23.171 3.865570 28.16893 
1 1 1    9    9   32 o  279.933   12.621  987.367   88.229  1006.64  107.926  948.539  153.194  281.627   15.405  270.716   22.875 10.91110 27.57841 
1 1 1    9    9   33 o  231.094   19.823  687.279  113.289  687.279  113.289   0.0000   0.0000  231.094   19.823  ?   ?  0.000000 19.82320 
1 1 1    9    9   34 o  245.739   11.952  761.057   73.345  788.935   89.680  704.746  127.458  249.259   14.470  232.898   22.184 16.36183 26.48572 
1 1 1    9    9   35 o  249.181   11.882  783.322   73.933  777.719   90.314  794.707  128.730  247.201   14.697  247.485   21.029 -0.2843475 25.65531 
1 1 1    9    9   36 o   95.479   12.040  116.988   28.069  123.618   33.825  102.327   50.303   97.675   14.290   87.017   22.855 10.65809 26.95478 
1 1 1    9    9   37 o   62.542   15.590   51.973   24.263   52.583   29.038   50.562   44.162   62.992   17.717   64.620   22.412 -1.628056 28.56926 
1 1 1    9    9   38 o   54.998   19.451   35.320   33.362   36.413   51.962   34.553   43.516   61.545   23.793   58.068   21.939 3.476654 32.36348 
1 1 1    9    9   39 o   42.514   16.046   17.693   23.264   9.0324   27.743   38.210   42.701   41.242   16.896   58.828   21.831 -17.58614 27.60587 
1 1 1    9    9   40 o   69.409   16.542   65.301   28.265   71.946   34.326   51.306   49.814   72.429   18.811   65.104   23.676 7.324745 30.23865 
1 1 1    9    9   41 o  117.674   12.995  180.454   37.549  188.375   46.510  165.631   63.630  118.995   16.062  107.470   24.282 11.52471 29.11370 
1 1 1    9    9   42 o   58.026   18.229   45.165   29.432   42.076   36.312   51.081   50.251   57.780   20.307   64.343   23.721 -6.562260 31.22580 
1 1 1    9    9   43 o   50.109   21.535   6.7788   48.537   6.7788   48.537   0.0000   0.0000   50.109   21.535  ?   ?  0.000000 21.53521 
1 1 1    9    9   44 o  102.285   16.461  142.915   40.620  172.305   51.773   95.856   65.513  110.773   19.424   79.826   27.317 30.94708 33.51869 
1 1 1    9    9   45 o  100.001   17.521  139.635   42.159  152.406   54.479  120.570   66.563  101.582   22.104   86.967   27.428 14.61496 35.22647 
1 1 1    9   10    0 f  1052.96   37.220 14109.63  978.671 14055.84  1198.43 14217.32  1695.65  1045.83   45.888  1034.55   65.979 11.27722 80.36749 
1 1 1    9   10    1 o  363.583   25.744  1673.85  232.227  1673.85  232.227   0.0000   0.0000  363.583   25.744  ?   ?  0.000000 25.74406 
1 1 1    9   10    2 o  164.000   17.880  341.267   72.040   0.0000   0.0000  341.267   72.040  ?   ?   164.000   17.880 0.000000 17.88040 
1 1 1    9   10    3 o  609.505   27.067  4685.89  411.966  4685.89  411.966   0.0000   0.0000  609.505   27.067  ?   ?  0.000000 27.06659 
1 1 1    9   10    4 o  603.609   21.994  4579.73  331.522  4538.63  405.805  4662.21  574.853  599.859   27.091  603.791   38.324 -3.932068 46.93248 
1 1 1    9   10    5 o  355.650   14.274  1583.74  126.773  1532.64  155.018  1686.92  220.280  349.141   17.839  365.301   24.286 -16.15979 30.13392 
1 1 1    9   10    6 o  508.276   18.901  3241.30  239.906  3199.82  293.655  3324.56  416.005  504.378   23.315  511.297   32.754 -6.918671 40.20447 
1 1 1    9   10    7 o  1238.62   37.647 19519.18  1164.46 19451.92  1646.73 19586.45  1646.86  1224.62   53.848  1229.00   53.660 -4.387451 76.02015 
1 1 1    9   10    8 o  587.293   16.997  4322.97  249.274  4503.85  352.719  4142.49  352.334  598.399   23.604  573.712   24.593 24.68646 34.08759 
1 1 1    9   10    9 o  964.489   41.781 11878.96  1006.30 11220.53  1421.80 12539.86  1424.47  923.354   62.022  979.035   58.533 -55.68085 85.28075 
1 1 1    9   10   10 f  1298.20   56.975 21921.00  1847.04 22231.65  2612.39 21610.49  2611.83  1277.91   82.300  1258.24   83.601 19.67346 117.3133 
1 1 1    9   10   11 o  870.846   37.433  9638.94  814.044  8788.36  1149.57 10494.45  1152.90  820.684   56.436  900.303   51.494 -79.61853 76.39828 
1 1 1    9   10   12 o  417.174   13.985  2178.43  145.686  2157.26  206.046  2199.60  206.016  414.610   19.901  418.679   19.705 -4.069519 28.00574 
1 1 1    9   10   13 f  1081.45   32.807 14807.21  885.993 14648.23  1252.86 14966.25  1253.11  1067.91   46.980  1079.77   46.474 -11.85315 66.08294 
1 1 1    9   10   14 o  1004.57   30.452 12756.16  763.908 12947.57  1080.63 12564.96  1080.03  1005.98   43.017  990.644   43.658 15.33374 61.29021 
1 1 1    9   10   15 o  731.710   22.616  6732.43  413.236  6548.38  584.261  6916.66  584.547  718.930   32.544  739.154   31.669 -20.22369 45.40955 
1 1 1    9   10   16 o  608.600   19.023  4649.37  289.109  4720.94  409.098  4577.95  408.626  611.677   26.783  602.250   27.171 9.426636 38.15173 
1 1 1    9   10   17 o  240.359   9.5730  722.395   57.459  814.362   81.961  633.510   80.575  254.722   12.928  224.416   14.455 30.30576 19.39234 
1 1 1    9   10   18 o  525.339   16.838  3463.19  220.894  3519.28  312.722  3407.34  312.063  528.281   23.705  519.738   24.044 8.543213 33.76460 
1 1 1    9   10   19 o  745.505   26.688  7038.10  496.848  7102.71  608.857  6909.32  859.591  746.316   32.669  726.248   47.662 20.06793 57.78378 
1 1 1    9   10   20 o  518.541   23.229  3398.20  300.792  3784.63  426.097  3014.35  424.676  543.635   31.522  483.353   35.431 60.28262 47.42349 
1 1 1    9   10   21 o  284.642   15.223  1020.52  107.812  1090.08  152.447  950.914  152.493  293.094   20.967  273.291   22.546 19.80310 30.78862 
1 1 1    9   10   22 o  392.465   13.614  1933.69  133.423  1952.09  188.933  1915.38  188.444  393.266   19.239  389.521   19.373 3.744843 27.30278 
1 1 1    9   10   23 o  288.817   10.956  1045.72   79.021  1009.64  111.858  1081.67  111.647  282.725   15.908  292.786   15.324 -10.06161 22.08808 
1 1 1    9   10   24 o  189.412   8.5098  449.186   40.251  463.965   56.912  434.397   56.934  191.884   11.936  185.583   12.356 6.301407 17.17985 
1 1 1    9   10   25 f  323.644   11.668  1315.30   94.301  1382.55  133.383  1248.11  133.340  330.958   16.139  313.806   17.080 17.15213 23.49880 
1 1 1    9   10   26 o  268.344   10.962  903.965   73.459  954.967  103.572  852.340  104.203  274.731   15.155  259.262   16.176 15.46930 22.16624 
1 1 1    9   10   27 o  141.227   9.3827  251.161   32.902  287.066   45.013  209.970   48.212  150.635   12.068  128.074   15.382 22.56091 19.55094 
1 1 1    9   10   28 o  394.439   20.313  1987.10  199.405  2251.18  279.662  1714.00  284.399  416.371   27.043  360.334   31.937 56.03784 41.84887 
1 1 1    9   10   29 o  462.725   21.814  2738.45  252.069  2856.42  357.957  2622.41  355.019  466.165   30.925  445.719   32.111 20.44620 44.58149 
1 1 1    9   10   30 o  509.124   19.089  3298.26  242.690  3312.80  297.261  3269.20  420.274  507.834   23.440  495.797   34.154 12.03690 41.42360 
1 1 1    9   10   31 o  509.140   19.135  3300.72  243.287  3336.05  297.995  3230.10  421.298  509.398   23.426  492.056   34.505 17.34155 41.70581 
1 1 1    9   10   32 f  170.877   10.323  368.079   43.841  346.411   53.497  412.392   76.505  165.271   13.069  179.446   17.287 -14.17493 21.67068 
1 1 1    9   10   33 f  188.691   10.701  448.977   50.216  421.702   61.205  505.152   87.836  182.303   13.541  198.501   17.913 -16.19817 22.45498 
1 1 1    9   10   34 o   46.654   15.101   26.773   20.078   34.008   22.854   2.3018   42.031   51.818   16.028   47.717   20.260 4.101593 25.83383 
1 1 1    9   10   35 o  144.511   17.622  270.126   62.274  270.126   62.274   0.0000   0.0000  144.511   17.622  ?   ?  0.000000 17.62152 
1 1 1    9   10   36 o  151.606   10.862  291.182   40.851  278.274   49.817  317.680   71.374  147.565   13.674  156.296   18.656 -8.730484 23.13056 
1 1 1    9   10   37 o  124.042   11.395  196.095   34.902  192.416   42.525  203.690   61.095  122.182   14.203  123.800   20.478 -1.618835 24.92096 
1 1 1    9   10   38 o  131.580   11.525  221.064   37.487  251.256   46.170  162.662   64.214  139.825   13.387  108.621   24.284 31.20386 27.72896 
1 1 1    9   10   39 o  103.963   12.574  139.727   31.981  155.235   39.465  110.060   54.583  108.950   14.896   88.881   24.021 20.06921 28.26447 
1 1 1    9   10   40 o   93.247   18.327  117.830   41.154   98.965   62.428  132.329   54.730   83.958   26.571   97.173   22.925 -13.21437 35.09399 
1 1 1    9   10   41 o  125.615   12.528  204.530   38.775  203.279   48.352  206.783   64.904  123.828   16.012  121.869   22.143 1.958855 27.32527 
1 1 1    9   10   42 o   55.347   18.250   39.872   29.267   29.454   36.659   58.182   48.601   52.801   20.091   66.746   23.490 -13.94498 30.91013 
1 1 1    9   10   43 o   93.091   16.035  117.173   35.930  133.229   45.327   90.026   58.940   97.905   19.226   78.896   25.893 19.00892 32.25035 
1 1 1    9   10   44 o   39.177   17.111  -2.0524   31.666   40.997   41.207 -64.1414   49.487   57.971   21.459   37.246   17.941 20.72458 27.97118 
1 1 1    9   11    0 o  571.793   25.808  4120.02  368.499  4098.77  520.790  4141.32  521.482  566.441   37.021  569.440   36.871 -2.998474 52.24958 
1 1 1    9   11    1 o   65.989   14.714   56.686   23.628   61.398   31.986   51.025   35.056   68.768   18.303   63.956   19.863 4.811680 27.01005 
1 1 1    9   11    2 o  639.606   41.132  5247.51  653.475  5247.51  653.475   0.0000   0.0000  639.606   41.132  ?   ?  0.000000 41.13152 
1 1 1    9   11    3 o  1011.53   35.722 13000.21  902.335 12820.49  1104.74 13360.39  1564.00  999.915   44.243  1006.02   62.566 -6.103882 76.62836 
1 1 1    9   11    4 o  137.041   9.7043  235.964   32.995  235.336   39.867  237.331   58.785  136.652   11.798  136.454   17.666 0.1974945 21.24389 
1 1 1    9   11    5 o  1067.09   37.480 14489.45  998.731 14057.13  1222.56 15356.77  1731.64  1045.56   46.824  1077.16   64.676 -31.59290 79.84690 
1 1 1    9   11    6 o  292.523   12.657  1070.73   92.455  1104.71  113.055  1002.12  160.648  296.588   15.317  281.370   23.067 15.21744 27.68883 
1 1 1    9   11    7 o  654.099   23.507  5381.52  383.973  5387.20  470.143  5370.12  665.417  653.240   28.821  647.214   41.388 6.025574 50.43420 
1 1 1    9   11    8 o  324.100   13.442  1314.67  108.788  1354.22  133.105  1235.09  188.802  328.762   16.213  312.358   24.399 16.40356 29.29418 
1 1 1    9   11    9 o  1136.07   34.176 16361.02  969.553 16378.77  1371.23 16343.26  1371.08  1127.98   48.681  1126.73   48.730 1.257446 68.87946 
1 1 1    9   11   10 o  591.292   26.172  4404.34  386.441  4067.95  545.537  4743.14  547.487  563.976   38.975  610.177   36.091 -46.20050 53.11905 
1 1 1    9   11   11 o  465.588   15.151  2714.68  176.152  2563.80  248.902  2866.07  249.331  451.712   22.066  477.753   20.899 -26.04156 30.39170 
1 1 1    9   11   12 o  1263.38   38.402 20313.95  1211.54 20229.00  1713.31 20398.90  1713.43  1248.41   54.958  1253.84   54.723 -5.434448 77.55663 
1 1 1    9   11   13 o  372.356   12.859  1734.97  119.567  1725.75  169.128  1744.18  169.058  370.953   18.258  372.938   18.153 -1.985229 25.74637 
1 1 1    9   11   14 o  837.589   25.662  8838.38  536.744  8866.40  759.161  8810.36  758.980  835.156   36.401  832.468   36.510 2.687683 51.55609 
1 1 1    9   11   15 o  528.814   16.970  3505.93  224.097  3516.06  317.061  3495.80  316.782  528.497   24.024  526.963   24.073 1.533691 34.00989 
1 1 1    9   11   16 o  1272.72   38.441 20675.96  1221.76 20631.28  1727.81 20720.65  1727.83  1257.03   55.043  1259.87   54.919 -2.843384 77.75496 
1 1 1    9   11   17 o  750.117   23.056  7086.59  431.876  7236.63  611.097  6936.88  610.433  754.843   32.419  738.785   33.088 16.05841 46.32295 
1 1 1    9   11   18 o  582.994   18.433  4269.89  268.351  4253.03  379.694  4286.72  379.317  580.028   26.214  582.356   26.083 -2.328369 36.97999 
1 1 1    9   11   19 o  571.553   18.001  4105.68  256.922  4292.48  363.834  3919.89  362.854  582.640   25.006  556.463   26.112 26.17676 36.15489 
1 1 1    9   11   20 o  756.833   23.451  7241.98  443.214  7308.13  627.111  7175.96  626.489  755.556   33.237  748.537   33.516 7.019104 47.20204 
1 1 1    9   11   21 o  349.879   12.186  1534.36  106.469  1618.10  151.053  1451.68  150.091  358.669   16.865  339.132   17.785 19.53729 24.50984 
1 1 1    9   11   22 o  491.285   18.664  3044.62  228.981  3099.64  280.769  2935.37  395.689  494.486   22.738  475.976   33.504 18.50931 40.49100 
1 1 1    9   11   23 o  238.934   13.874  719.797   82.426  731.784  115.750  707.466  117.404  239.803   19.498  235.608   20.148 4.194977 28.03811 
1 1 1    9   11   24 o  238.892   11.097  715.880   66.198  684.255  112.532  732.615   81.860  231.622   19.641  241.003   13.658 -9.381226 23.92267 
1 1 1    9   11   25 o  609.055   19.261  4703.23  292.949  4801.57  414.372  4604.97  414.212  610.806   27.167  597.786   27.748 13.02039 38.83250 
1 1 1    9   11   26 o  358.487   13.127  1617.00  117.511  1781.40  166.180  1452.58  166.193  375.082   17.742  337.576   19.801 37.50525 26.58704 
1 1 1    9   11   27 o  250.139   15.123  792.446   94.020   0.0000   0.0000  792.446   94.020  ?   ?   250.139   15.123 0.000000 15.12286 
1 1 1    9   11   28 o  352.358   13.960  1565.05  122.839  1435.76  150.197  1826.22  213.474  335.991   17.966  377.031   22.780 -41.03937 29.01269 
1 1 1    9   11   29 o  491.926   18.469  3073.82  226.876  3018.59  277.819  3184.40  393.091  485.256   22.927  491.341   32.216 -6.084900 39.54102 
1 1 1    9   11   30 o  252.164   10.826  798.781   68.170  729.681   83.561  936.286  117.876  240.127   13.996  271.147   17.502 -31.02036 22.41008 
1 1 1    9   11   31 o  127.938   13.804  208.776   43.404  215.887   67.156  203.674   56.881  128.237   21.748  125.242   18.765 2.994789 28.72479 
1 1 1    9   11   32 o  235.481   10.937  696.967   64.314  674.211   78.997  741.698  110.758  230.762   13.772  240.756   18.566 -9.993912 23.11586 
1 1 1    9   11   33 o  417.669   16.424  2212.43  171.302  2246.58  210.068  2144.65  295.953  419.284   20.063  403.351   29.589 15.93256 35.74967 
1 1 1    9   11   34 o  258.024   12.008  838.729   77.375  855.909   95.187  805.266  132.845  259.669   14.740  249.538   21.529 10.13115 26.09183 
1 1 1    9   11   35 o  108.484   11.427  149.854   30.490  152.062   37.525  145.564   52.303  108.737   14.155  104.737   20.731 4.000145 25.10291 
1 1 1    9   11   36 o  129.635   13.914  215.329   44.337  215.329   44.337   0.0000   0.0000  129.635   13.914  ?   ?  0.000000 13.91360 
1 1 1    9   11   37 o  134.297   18.321  235.995   59.839  235.995   59.839   0.0000   0.0000  134.297   18.321  ?   ?  0.000000 18.32114 
1 1 1    9   11   38 o  106.505   12.204  145.717   31.873  125.508   39.112  185.669   54.993   97.547   16.654  118.218   19.294 -20.67115 25.48779 
1 1 1    9   11   39 o   86.021   14.036   97.002   29.110  106.094   36.255   80.504   48.839   89.210   16.893   77.001   23.360 12.20881 28.82816 
1 1 1    9   11   40 o   65.413   16.647   57.772   27.260   46.737   34.130   77.218   45.306   60.126   19.702   75.017   22.442 -14.89139 29.86313 
1 1 1    9   11   41 o   83.535   15.504   93.372   31.151   70.356   39.270  132.435   51.160   71.438   20.770   97.412   21.598 -25.97466 29.96425 
1 1 1    9   11   42 o   78.200   20.259   85.501   39.880  135.821   65.792   56.274   50.142   96.079   26.542   66.452   23.809 29.62617 35.65599 
1 1 1    9   11   43 o   43.706   17.559   14.410   29.290 -10.0768   38.626   47.544   44.931   41.280   18.421   61.853   22.486 -20.57277 29.06826 
1 1 1    9   11   44 o   55.338   19.237   39.236   32.544   38.024   43.044   40.854   49.723   57.503   21.797   60.253   23.280 -2.750046 31.89115 
1 1 1    9   11   45 o   57.155   23.340   29.549   52.730   0.0000   0.0000   29.549   52.730  ?   ?    57.155   23.340 0.000000 23.34020 
1 1 1    9   12    0 o  425.885   20.230  2277.86  215.148  2251.18  303.652  2304.75  304.882  421.128   29.052  426.187   28.816 -5.059265 40.91951 
1 1 1    9   12    1 o  337.307   24.615  1440.13  205.901   0.0000   0.0000  1440.13  205.901  ?   ?   337.307   24.615 0.000000 24.61452 
1 1 1    9   12    2 o  345.526   24.859  1511.08  213.062  1511.08  213.062   0.0000   0.0000  345.526   24.859  ?   ?  0.000000 24.85922 
1 1 1    9   12    3 o  725.128   46.310  6784.84  834.197  6784.84  834.197   0.0000   0.0000  725.128   46.310  ?   ?  0.000000 46.31017 
1 1 1    9   12    4 o  467.846   17.617  2744.58  205.815  2679.53  251.721  2875.75  357.476  461.744   21.831  476.011   30.230 -14.26721 37.28847 
1 1 1    9   12    5 o  879.482   30.333  9779.02  666.187  9224.60  815.058 10894.83  1156.29  851.034   38.352  916.914   50.696 -65.87964 63.56900 
1 1 1    9   12    6 f  1029.50   36.336 13470.20  934.153 13461.27  1143.96 13488.09  1618.40  1024.54   44.712  1009.56   64.533 14.98602 78.50916 
1 1 1    9   12    7 o  936.861   32.771 11117.20  766.692 10958.02  938.648 11436.28  1328.95  926.627   40.565  935.193   57.181 -8.565613 70.10786 
1 1 1    9   12    8 o  496.774   18.441  3095.34  228.768  3173.02  280.110  2939.74  396.442  502.440   22.325  480.595   33.237 21.84534 40.03907 
1 1 1    9   12    9 o  555.994   20.480  3881.29  284.343  3884.06  348.126  3875.74  492.839  555.420   25.100  551.300   35.996 4.119263 43.88289 
1 1 1    9   12   10 o  483.129   21.647  2932.51  261.164  2583.51  368.091  3286.29  370.606  450.492   32.949  509.331   29.261 -58.83942 44.06628 
1 1 1    9   12   11 o  1018.54   44.362 13292.71  1128.34 12948.40  1594.86 13637.76  1596.59  989.185   64.925  1016.76   63.194 -27.57501 90.60221 
1 1 1    9   12   12 o  203.986   9.0744  520.118   46.224  528.963   65.374  511.275   65.367  205.202   12.822  201.707   13.047 3.495163 18.29309 
1 1 1    9   12   13 o  754.783   23.140  7165.40  436.147  6947.42  616.581  7383.69  617.031  740.314   33.352  763.540   32.361 -23.22601 46.47162 
1 1 1    9   12   14 o  501.235   16.128  3148.44  201.874  3203.68  285.688  3093.35  285.299  504.713   22.667  495.887   23.039 8.825623 32.32031 
1 1 1    9   12   15 o  1228.46   37.420 19231.74  1147.92 19176.52  1623.40 19286.95  1623.41  1213.89   53.555  1217.52   53.395 -3.637085 75.62498 
1 1 1    9   12   16 o  652.916   20.399  5357.43  332.597  5454.85  470.618  5260.22  470.109  656.747   28.696  644.779   29.197 11.96759 40.93792 
1 1 1    9   12   17 o  635.775   19.890  5080.84  315.782  5068.45  446.698  5093.22  446.469  632.850   28.266  634.419   28.182 -1.569763 39.91441 
1 1 1    9   12   18 o  496.035   15.992  3086.95  198.087  3013.64  280.243  3160.14  280.031  488.872   22.956  500.732   22.395 -11.86023 32.07013 
1 1 1    9   12   19 o  577.311   18.366  4190.80  264.770  4120.28  374.613  4261.18  374.271  570.335   26.303  580.151   25.834 -9.816040 36.86786 
1 1 1    9   12   20 o  410.843   13.719  2116.84  140.755  2143.06  199.415  2090.81  198.701  412.480   19.360  407.389   19.532 5.091034 27.50083 
1 1 1    9   12   21 o  268.634   10.400  903.618   69.768  876.948   99.185  929.739   98.158  263.796   15.120  271.740   14.518 -7.944458 20.96103 
1 1 1    9   12   22 o  738.919   23.077  6926.27  425.826  6818.10  602.289  7034.37  602.130  727.054   33.173  738.877   32.634 -11.82220 46.53413 
1 1 1    9   12   23 o  337.039   11.874  1425.13   99.937  1508.00  141.707  1343.13  140.960  345.951   16.403  325.863   17.385 20.08807 23.90206 
1 1 1    9   12   24 o  316.129   11.316  1253.88   89.335  1296.19  126.634  1211.96  126.046  320.680   15.814  309.565   16.363 11.11536 22.75585 
1 1 1    9   12   25 o  278.853   15.776  984.007  109.403  1079.93  153.288  884.418  156.192  290.628   21.269  261.945   24.150 28.68353 32.18060 
1 1 1    9   12   26 o  315.442   17.589  1263.37  138.001  1486.23  193.587  1033.11  196.779  340.311   22.913  281.333   28.398 58.97733 36.48934 
1 1 1    9   12   27 o  107.951   11.283  147.942   29.967  167.061   34.599   90.539   59.953  114.624   12.279   83.812   25.967 30.81256 28.72360 
1 1 1    9   12   28 o  254.765   11.652  815.796   74.132  907.242  103.868  720.852  105.836  267.523   15.616  237.761   17.958 29.76247 23.79793 
1 1 1    9   12   29 o  191.882   11.120  464.113   53.052  427.974   65.161  535.175   91.373  183.648   14.322  204.591   18.070 -20.94229 23.05755 
1 1 1    9   12   30 f  440.821   17.088  2463.04  188.106  2404.65  230.447  2579.62  325.626  433.789   21.274  443.746   29.555 -9.956818 36.41488 
1 1 1    9   12   31 o  214.006   10.472  575.176   55.963  521.681   68.709  680.613   96.461  202.959   13.636  231.155   16.826 -28.19568 21.65777 
1 1 1    9   12   32 o  160.988   10.035  326.635   40.141  314.052   49.626  350.444   68.266  157.392   12.736  165.450   16.754 -8.058197 21.04486 
1 1 1    9   12   33 o  620.544   28.444  5032.51  440.765  5290.69  625.431  4777.77  621.263  621.194   40.540  587.460   42.640 33.73438 58.83610 
1 1 1    9   12   34 o  245.885   11.121  760.606   68.286  742.520   84.090  795.625  117.013  242.031   13.973  249.033   18.958 -7.002289 23.55106 
1 1 1    9   12   35 o  273.276   12.367  941.996   84.392  955.524  104.038  915.969  144.303  274.102   15.260  265.783   21.938 8.318542 26.72342 
1 1 1    9   12   36 o   94.889   12.406  115.593   28.693  106.053   35.726  132.930   48.159   89.898   16.523  100.033   19.978 -10.13557 25.92574 
1 1 1    9   12   37 o  211.464   11.350  566.296   59.717  584.985   74.178  531.877  100.666  214.177   13.945  201.849   20.244 12.32803 24.58232 
1 1 1    9   12   38 o   88.264   20.742  105.460   44.944  105.460   44.944   0.0000   0.0000   88.264   20.742  ?   ?  0.000000 20.74207 
1 1 1    9   12   39 o  152.699   19.468  308.990   72.547  308.990   72.547   0.0000   0.0000  152.699   19.468  ?   ?  0.000000 19.46833 
1 1 1    9   12   40 o  130.849   12.201  220.218   39.407  255.379   50.227  163.918   63.556  140.161   14.563  108.208   24.135 31.95295 28.18787 
1 1 1    9   12   41 o  160.906   11.957  332.812   47.700  345.833   60.018  310.484   78.592  162.761   14.933  150.735   21.487 12.02536 26.16680 
1 1 1    9   12   42 o  110.945   13.828  161.453   37.480  144.417   48.225  187.439   59.561  102.472   19.560  116.175   21.316 -13.70309 28.92998 
1 1 1    9   12   43 o   48.014   18.121   24.279   29.670   7.0754   39.890   45.584   44.389   46.580   19.755   61.110   22.330 -14.52976 29.81443 
1 1 1    9   12   44 o   75.209   21.493   80.727   42.384   91.306   71.394   74.970   52.669   79.689   28.425   72.911   24.495 6.778252 37.52286 
1 1 1    9   12   45 o   64.234   24.036   52.532   51.974   0.0000   0.0000   52.532   51.974  ?   ?    64.234   24.036 0.000000 24.03643 
1 1 1    9   13    0 o  430.841   29.456  2358.19  315.011   0.0000   0.0000  2358.19  315.011  ?   ?   430.841   29.456 0.000000 29.45569 
1 1 1    9   13    1 o  774.968   49.515  7795.61  953.229  7795.61  953.229   0.0000   0.0000  774.968   49.515  ?   ?  0.000000 49.51505 
1 1 1    9   13    2 o  458.836   21.284  2645.83  243.868  2480.06  343.966  2813.36  345.805  441.484   31.404  470.833   29.561 -29.34933 43.12894 
1 1 1    9   13    3 o  879.425   38.447  9859.55  844.327  9633.78  1193.27 10085.92  1194.85  857.870   56.009  878.759   54.721 -20.88837 78.30298 
1 1 1    9   13    4 o  323.313   23.777  1322.48  190.621  1322.48  190.621   0.0000   0.0000  323.313   23.777  ?   ?  0.000000 23.77693 
1 1 1    9   13    5 o  451.785   17.204  2559.02  194.088  2518.60  237.340  2640.63  337.220  447.721   21.228  456.132   29.769 -8.410645 36.56242 
1 1 1    9   13    6 o  1391.66   48.906 24982.59  1699.61 24031.96  2080.33 26890.77  2947.39  1352.27   61.605  1397.71   84.845 -45.44299 104.8521 
1 1 1    9   13    7 o  477.121   17.993  2855.02  214.384  2833.38  262.295  2898.56  372.093  474.772   22.124  477.604   31.373 -2.832367 38.38897 
1 1 1    9   13    8 o  712.486   25.450  6394.54  452.801  6205.92  554.137  6773.54  785.490  700.206   31.691  725.979   43.529 -25.77264 53.84316 
1 1 1    9   13    9 o  612.802   22.187  4720.36  339.526  4651.70  415.562  4858.24  588.845  607.263   27.404  616.453   38.443 -9.190247 47.21060 
1 1 1    9   13   10 o  399.798   15.518  2002.31  154.928  2019.58  189.644  1967.67  268.632  401.196   18.929  394.018   27.474 7.178650 33.36347 
1 1 1    9   13   11 o  520.050   23.381  3402.30  303.642  3148.38  428.369  3658.71  430.469  496.878   34.742  536.550   32.278 -39.67200 47.42250 
1 1 1    9   13   12 o  1004.74   35.508 12826.70  890.895 12782.76  1090.98 12914.66  1543.47  998.549   43.752  988.428   62.859 10.12073 76.58628 
1 1 1    9   13   13 o  786.096   28.036  7802.29  550.356  7799.04  673.919  7808.79  953.602  783.722   34.435  775.966   49.470 7.756958 60.27465 
1 1 1    9   13   14 o  446.074   14.759  2492.46  164.406  2465.20  232.534  2519.71  232.475  442.898   21.025  447.800   20.789 -4.901733 29.56756 
1 1 1    9   13   15 o  274.650   10.526  943.460   72.190  999.165  102.386  888.391  101.799  282.046   14.587  265.814   15.402 16.23239 21.21320 
1 1 1    9   13   16 o  801.699   24.585  8104.89  492.185  8034.11  696.033  8175.69  696.075  794.136   35.098  801.243   34.789 -7.106689 49.41814 
1 1 1    9   13   17 o  551.190   17.530  3814.21  241.293  3639.02  341.163  3989.56  341.316  536.758   25.453  562.300   24.307 -25.54224 35.19499 
1 1 1    9   13   18 o  1238.40   37.877 19690.43  1171.33 19345.55  1656.23 20035.55  1656.80  1209.40   54.840  1232.01   53.852 -22.61121 76.86057 
1 1 1    9   13   19 o  568.702   18.005  4066.81  255.705  4207.40  362.028  3926.85  361.217  576.526   25.146  556.717   25.983 19.80927 36.15839 
1 1 1    9   13   20 o  216.001   9.3941  583.802   50.671  598.960   72.241  569.122   71.093  218.148   13.325  212.607   13.460 5.540710 18.94013 
1 1 1    9   13   21 o  549.651   17.556  3804.01  240.971  3789.87  341.067  3818.10  340.502  546.287   25.002  548.367   24.865 -2.080811 35.26153 
1 1 1    9   13   22 o  462.024   15.029  2683.89  173.395  2801.48  245.657  2567.13  244.780  470.518   20.908  450.155   21.775 20.36307 30.18751 
1 1 1    9   13   23 o  809.474   25.069  8359.72  506.755  8684.25  717.200  8036.16  716.122  816.648   35.169  784.280   36.565 32.36847 50.73285 
1 1 1    9   13   24 o  216.003   9.5830  584.624   51.691  646.332   73.489  524.199   72.721  226.407   13.054  203.589   14.397 22.81766 19.43348 
1 1 1    9   13   25 o  255.865   10.785  821.422   68.911  848.961   97.453  793.882   97.456  259.079   15.129  250.388   15.665 8.690659 21.77787 
1 1 1    9   13   26 o  248.390   12.179  775.504   75.541  880.767  128.721  720.206   93.297  262.584   19.776  238.333   15.765 24.25111 25.29047 
1 1 1    9   13   27 o  237.008   11.831  706.007   70.023  705.168   85.966  707.662  120.708  236.012   14.659  234.817   20.801 1.195648 25.44682 
1 1 1    9   13   28 o  226.321   15.706  650.274   88.213  782.792  119.667  492.568  130.545  247.355   19.532  193.223   27.860 54.13097 34.02509 
1 1 1    9   13   29 o  319.192   16.636  1293.28  132.145  1318.05  185.741  1267.90  188.044  319.706   23.428  313.187   24.232 6.519196 33.70609 
1 1 1    9   13   30 o  548.417   20.274  3835.28  277.654  3809.91  340.199  3885.89  480.505  543.616   25.060  539.208   35.890 4.407959 43.77390 
1 1 1    9   13   31 o  142.841   10.370  257.537   36.739  232.167   45.366  305.879   62.623  135.028   13.641  154.570   16.478 -19.54213 21.39162 
1 1 1    9   13   32 f  216.107   11.252  588.729   60.513  570.644   74.697  623.260  103.219  212.156   14.181  220.499   18.929 -8.343109 23.65193 
1 1 1    9   13   33 o  456.107   17.136  2641.24  195.181  2538.56  239.219  2845.72  337.579  445.028   21.526  465.380   29.196 -20.35135 36.27338 
1 1 1    9   13   34 o  132.709   10.446  222.695   34.338  197.330   42.713  269.046   57.738  124.218   14.015  144.775   16.251 -20.55681 21.45938 
1 1 1    9   13   35 o  284.906   16.348  1034.55  115.825  990.823  167.615  1074.51  160.236  275.277   24.644  287.816   22.472 -12.53925 33.35173 
1 1 1    9   13   36 o   75.076   14.147   73.670   25.549   69.690   31.909   80.781   42.648   72.458   17.770   77.866   21.312 -5.408012 27.74858 
1 1 1    9   13   37 o  197.798   11.283  495.425   55.498  483.412   69.219  517.047   92.865  194.540   14.350  199.648   18.850 -5.107437 23.69027 
1 1 1    9   13   38 o  261.892   12.557  870.130   82.124  889.522  101.792  833.974  138.993  263.263   15.553  251.270   22.386 11.99326 27.25827 
1 1 1    9   13   39 f  149.895   11.682  286.780   43.383  252.786   54.848  343.591   70.905  139.308   16.061  161.955   17.827 -22.64703 23.99487 
1 1 1    9   13   40 o   92.899   22.535  119.716   51.742  119.716   51.742   0.0000   0.0000   92.899   22.535  ?   ?  0.000000 22.53483 
1 1 1    9   13   41 o   69.188   23.322   63.039   47.745   63.039   47.745   0.0000   0.0000   69.188   23.322  ?   ?  0.000000 23.32152 
1 1 1    9   13   42 o  174.777   12.066  393.422   52.339  420.013   67.112  352.141   83.618  179.073   15.150  160.191   21.441 18.88187 26.25331 
1 1 1    9   13   43 o   77.330   18.010   82.452   34.130  106.851   47.585   56.602   48.979   86.734   21.951   66.236   23.552 20.49819 32.19547 
1 1 1    9   13   44 o  124.974   14.372  206.425   44.036  209.788   59.386  202.318   65.633  122.974   20.028  118.952   22.927 4.022018 30.44249 
1 1 1    9   13   45 o   45.272   19.856  -1.8736   43.037   0.0000   0.0000  -1.8736   43.037  ?   ?    45.272   19.856 0.000000 19.85593 
1 1 1    9   14    0 o  745.609   32.981  7062.83  614.073  7120.62  867.920  7004.91  868.941  740.693   47.169  734.349   47.642 6.343689 67.04221 
1 1 1    9   14    1 o  1066.98   46.815 14701.08  1247.37 14506.90  1763.16 14895.65  1764.95  1038.91   68.343  1053.78   67.424 -14.86548 96.00412 
1 1 1    9   14    2 o  517.824   23.578  3376.38  304.884  3226.13  430.122  3528.10  432.229  502.660   34.475  526.216   33.061 -23.55643 47.76515 
1 1 1    9   14    3 o  343.190   17.408  1481.00  148.700  1474.66  209.555  1487.43  211.041  341.230   24.761  342.699   24.829 -1.469238 35.06538 
1 1 1    9   14    4 o  258.712   14.606  840.984   93.975  788.772  131.659  895.214  134.178  249.614   21.326  266.191   20.339 -16.57710 29.47047 
1 1 1    9   14    5 o  234.186   19.895  693.588  115.245  693.588  115.245   0.0000   0.0000  234.186   19.895  ?   ?  0.000000 19.89487 
1 1 1    9   14    6 o  712.882   31.525  6436.36  561.215  6468.00  793.324  6404.67  794.033  708.113   45.099  704.485   45.377 3.627991 63.97603 
1 1 1    9   14    7 o  437.031   16.283  2393.83  177.699  2240.89  217.051  2704.71  309.459  422.363   20.579  462.268   26.924 -39.90546 33.88817 
1 1 1    9   14    8 o  726.911   25.968  6661.10  471.376  6839.50  577.348  6304.44  816.354  734.943   31.458  698.169   47.099 36.77490 56.63880 
1 1 1    9   14    9 o  507.311   18.673  3229.44  236.558  3491.54  289.819  2706.26  409.459  526.987   22.023  460.016   35.929 66.97119 42.14165 
1 1 1    9   14   10 o  493.053   18.319  3049.95  225.547  2962.73  275.876  3225.76  391.686  485.320   22.763  503.829   31.286 -18.50894 38.69116 
1 1 1    9   14   11 o  352.774   17.776  1564.88  156.092  1656.09  220.096  1472.59  221.406  361.814   24.504  340.754   26.221 21.06085 35.88861 
1 1 1    9   14   12 o  412.483   15.531  2131.93  159.974  2046.86  195.587  2303.86  278.055  403.770   19.398  426.618   26.227 -22.84851 32.62114 
1 1 1    9   14   13 o  484.657   18.274  2947.63  221.163  3013.88  270.749  2814.80  383.401  489.497   22.150  469.890   32.882 19.60709 39.64592 
1 1 1    9   14   14 o  370.838   14.851  1723.01  137.525  1708.72  168.172  1751.85  238.947  368.974   18.252  371.752   25.901 -2.778137 31.68599 
1 1 1    9   14   15 o  1088.68   38.505 15159.61  1046.82 14945.75  1281.77 15587.96  1814.05  1074.08   47.788  1075.64   67.883 -1.556763 83.01731 
1 1 1    9   14   16 o  443.224   14.663  2462.10  162.290  2573.52  229.728  2351.09  229.299  452.355   20.337  432.223   21.244 20.13281 29.40936 
1 1 1    9   14   17 o  629.876   19.776  4990.75  311.057  4951.80  439.956  5029.69  439.847  625.025   28.188  629.998   27.958 -4.972900 39.70163 
1 1 1    9   14   18 o  274.128   10.698  940.521   73.231  788.283  103.416  1093.63  103.712  249.992   16.661  295.343   14.062 -45.35101 21.80230 
1 1 1    9   14   19 o  598.997   18.810  4516.47  281.364  4591.82  398.144  4441.30  397.674  601.579   26.503  591.486   26.924 10.09277 37.77953 
1 1 1    9   14   20 o  330.335   11.882  1367.41   98.018  1281.80  138.751  1452.69  138.485  318.686   17.502  339.939   16.314 -21.25250 23.92607 
1 1 1    9   14   21 o  454.806   14.947  2599.18  169.754  2587.89  240.347  2610.42  239.792  452.346   21.277  454.350   21.135 -2.003571 29.98989 
1 1 1    9   14   22 o  600.456   18.935  4553.48  283.922  4643.55  401.889  4463.73  401.163  602.996   26.690  590.959   27.184 12.03723 38.09594 
1 1 1    9   14   23 o  415.116   13.925  2166.50  144.346  2144.76  204.339  2188.16  203.934  411.558   19.882  415.771   19.642 -4.212769 27.94847 
1 1 1    9   14   24 o  314.034   10.702  1236.90   83.924  1356.46  119.226  1119.47  118.156  328.237   14.546  297.522   15.961 30.71448 21.59494 
1 1 1    9   14   25 o  292.810   12.466  1077.65   91.149  1191.89  161.060  1023.81  110.557  305.325   21.256  284.451   15.624 20.87332 26.38088 
1 1 1    9   14   26 o  157.923   9.9241  314.012   38.938  354.750   46.742  221.633   70.386  167.708   11.226  130.003   22.496 37.70410 25.14096 
1 1 1    9   14   27 o  289.372   10.838  1051.38   78.314  1022.68  110.260  1080.59  111.252  284.137   15.599  292.173   15.301 -8.035980 21.85106 
1 1 1    9   14   28 o  264.131   11.761  877.034   77.576  906.798   95.407  818.962  133.263  267.768   14.320  252.445   21.339 15.32309 25.69892 
1 1 1    9   14   29 o  107.172   9.3749  145.139   24.838  115.902   30.793  199.578   42.019   95.015   13.346  125.113   13.672 -30.09864 19.10582 
1 1 1    9   14   30 o  130.633   12.713  216.841   40.946  216.841   40.946   0.0000   0.0000  130.633   12.713  ?   ?  0.000000 12.71273 
1 1 1    9   14   31 o  174.111   17.350  388.169   74.432  388.169   74.432   0.0000   0.0000  174.111   17.350  ?   ?  0.000000 17.35036 
1 1 1    9   14   32 o   56.231   13.214   41.443   18.241   38.853   22.213   46.808   31.966   54.722   15.532   60.804   18.981 -6.081436 24.52625 
1 1 1    9   14   33 o  265.444   11.703  886.660   77.576  837.351   95.620  981.619  132.694  256.904   14.970  276.817   19.317 -19.91376 24.43837 
1 1 1    9   14   34 o  195.034   10.986  479.880   53.289  445.606   66.289  542.485   89.591  187.241   14.285  205.818   17.601 -18.57716 22.66816 
1 1 1    9   14   35 o  248.933   12.012  781.015   74.669  742.819   92.380  852.996  126.817  241.581   15.393  257.363   19.887 -15.78156 25.14830 
1 1 1    9   14   36 o  205.071   11.154  531.384   56.905  553.196   71.065  492.406   94.999  208.627   13.717  194.900   19.794 13.72649 24.08210 
1 1 1    9   14   37 o  399.785   20.112  2068.61  200.140  2092.72  286.599  2045.66  279.612  394.443   29.306  390.356   28.890 4.087616 41.15136 
1 1 1    9   14   38 o  286.229   13.214  1040.72   94.450  1003.78  116.917  1110.12  160.247  279.151   16.851  290.368   22.270 -11.21652 27.92661 
1 1 1    9   14   39 o  234.900   12.214  702.784   71.398  713.082   89.404  684.653  118.627  235.315   15.298  227.466   21.125 7.848770 26.08249 
1 1 1    9   14   40 o  166.373   11.832  353.961   48.838  332.948   62.353  387.311   78.553  159.852   15.828  171.180   18.680 -11.32712 24.48386 
1 1 1    9   14   41 o   99.280   14.575  129.655   35.059  109.125   46.911  155.630   52.766   88.636   21.430  106.579   20.571 -17.94333 29.70534 
1 1 1    9   14   42 o  203.232   22.355  567.190  111.578  567.190  111.578   0.0000   0.0000  203.232   22.355  ?   ?  0.000000 22.35506 
1 1 1    9   14   43 o   58.766   24.226   25.061   57.480   25.061   57.480   0.0000   0.0000   58.766   24.226  ?   ?  0.000000 24.22573 
1 1 1    9   14   44 o   67.040   23.315   60.033   47.809   0.0000   0.0000   60.033   47.809  ?   ?    67.040   23.315 0.000000 23.31512 
1 1 1    9   15    0 o  416.474   28.981  2208.40  299.529   0.0000   0.0000  2208.40  299.529  ?   ?   416.474   28.981 0.000000 28.98107 
1 1 1    9   15    1 o  549.668   25.016  3812.95  343.369  4102.67  485.662  3523.39  485.531  566.479   34.496  523.740   37.369 42.73926 50.85703 
1 1 1    9   15    2 o  505.603   23.311  3220.63  294.325  3248.89  415.507  3192.18  416.974  504.486   33.167  499.903   33.597 4.582977 47.21036 
1 1 1    9   15    3 o  215.639   13.630  584.644   73.017  566.577  101.731  603.840  104.864  211.492   19.481  218.400   19.431 -6.907928 27.51494 
1 1 1    9   15    4 o  566.249   25.608  4045.01  362.099  4004.48  511.383  4085.76  512.791  559.217   36.826  564.996   36.541 -5.779053 51.87831 
1 1 1    9   15    5 o  1045.15   45.872 14085.59  1197.22 14347.99  1692.98 13823.11  1693.27  1035.97   65.782  1015.38   67.159 20.59534 94.00900 
1 1 1    9   15    6 o  725.118   46.457  6807.65  836.802  6807.65  836.802   0.0000   0.0000  725.118   46.457  ?   ?  0.000000 46.45729 
1 1 1    9   15    7 o  559.230   25.329  3943.04  353.722  3939.27  499.693  3946.83  500.786  555.042   36.251  555.560   36.296 -0.5181274 51.29870 
1 1 1    9   15    8 o  398.178   15.149  1986.49  150.631  1856.58  183.821  2252.04  262.809  384.540   19.143  421.965   25.053 -37.42557 31.52943 
1 1 1    9   15    9 o  184.198   10.227  425.613   46.857  403.767   56.603  473.182   83.524  179.158   12.735  193.445   17.479 -14.28746 21.62629 
1 1 1    9   15   10 o  283.896   12.620  1008.78   89.469  1056.76  109.215  910.868  156.005  290.024   15.132  267.955   23.554 22.06943 27.99574 
1 1 1    9   15   11 o  642.364   23.062  5194.46  369.930  5161.11  452.760  5261.42  641.617  638.961   28.375  639.963   40.355 -1.001465 49.33272 
1 1 1    9   15   12 o  286.012   15.626  1028.34  111.180  1089.48  156.141  965.460  158.347  293.563   21.448  275.952   23.194 17.61026 31.59050 
1 1 1    9   15   13 o  227.700   10.979  648.626   62.425  635.511   75.958  675.918  109.571  224.862   13.591  231.201   19.151 -6.339767 23.48326 
1 1 1    9   15   14 o  858.516   30.545  9347.82  654.844  9278.58  801.772  9486.57  1134.92  851.883   37.689  849.698   53.764 2.184998 65.65887 
1 1 1    9   15   15 o  1043.61   37.060 13932.21  965.830 13835.51  1182.64 14125.87  1673.60  1033.46   45.825  1023.14   65.854 10.32745 80.22901 
1 1 1    9   15   16 o  773.231   27.557  7573.66  532.106  7475.22  651.468  7770.95  922.277  765.288   34.089  770.680   48.164 -5.391846 59.00694 
1 1 1    9   15   17 o  124.827   10.185  196.262   31.472  235.022   38.344  116.249   55.092  136.548   11.348   94.128   23.508 42.41948 26.10355 
1 1 1    9   15   18 o  309.752   13.243  1202.70  102.435  1262.60  125.313  1082.08  177.832  317.105   15.825  291.399   24.670 25.70621 29.30932 
1 1 1    9   15   19 o  397.276   13.061  1978.94  129.571  2104.18  183.483  1854.35  183.000  408.889   17.970  383.652   19.101 25.23727 26.22535 
1 1 1    9   15   20 o  583.083   26.295  4325.01  382.879  4441.11  542.298  4209.62  540.650  584.331   37.360  568.249   38.324 16.08258 53.52106 
1 1 1    9   15   21 o  394.757   18.534  1965.90  182.702  2146.29  259.587  1788.82  257.187  409.860   25.489  373.219   27.794 36.64041 37.71242 
1 1 1    9   15   22 o  679.842   30.630  5952.94  520.005  5945.09  735.981  5960.78  734.818  667.042   44.438  668.062   44.298 -1.019897 62.74585 
1 1 1    9   15   23 o  261.451   15.072  863.495   97.990  769.756  139.778  954.084  137.410  244.843   23.135  273.632   20.253 -28.78902 30.74804 
1 1 1    9   15   24 o  168.156   12.829  357.448   53.463  305.291   77.917  403.850   73.493  153.689   20.839  178.076   16.723 -24.38757 26.71948 
1 1 1    9   15   25 o  396.009   19.315  1990.14  191.003  1961.91  271.310  2017.88  268.945  388.790   28.135  394.673   27.459 -5.882751 39.31382 
1 1 1    9   15   26 o  494.286   18.605  3099.51  229.644  3246.55  281.562  2807.34  396.894  504.104   22.367  460.343   34.782 43.76093 41.35320 
1 1 1    9   15   27 o  520.015   16.286  3419.58  211.480  3399.31  298.805  3439.93  299.351  515.115   23.229  518.240   23.131 -3.124268 32.78177 
1 1 1    9   15   28 f  484.221   18.111  2975.45  218.993  3043.60  268.500  2840.02  378.489  487.852   22.040  463.597   32.907 24.25546 39.60612 
1 1 1    9   15   29 o  175.105   10.017  386.047   43.620  373.299   53.947  410.121   74.132  171.749   12.668  179.202   16.760 -7.453979 21.00906 
1 1 1    9   15   30 o  145.439   10.048  266.747   36.271  239.590   45.025  316.946   61.215  137.265   13.302  157.548   15.771 -20.28279 20.63233 
1 1 1    9   15   31 o  120.905   9.4799  184.507   28.393  166.872   35.641  215.136   46.971  114.432   12.686  129.703   14.765 -15.27119 19.46645 
1 1 1    9   15   32 o   88.640   10.902  100.202   23.622  102.828   29.883   95.828   38.568   89.261   13.856   85.196   18.646 4.064835 23.23055 
1 1 1    9   15   33 o  181.338   17.913  421.955   80.055  421.955   80.055   0.0000   0.0000  181.338   17.913  ?   ?  0.000000 17.91278 
1 1 1    9   15   34 o  112.862   12.330  162.355   34.186  150.385   47.082  175.701   49.716  107.276   18.228  116.292   17.676 -9.015739 25.39097 
1 1 1    9   15   35 o  159.908   10.765  323.101   42.735  303.701   54.061  355.420   69.776  154.326   14.187  166.333   17.039 -12.00703 22.17203 
1 1 1    9   15   36 o  197.543   11.226  493.239   55.147  520.586   69.504  446.767   90.604  202.335   13.839  185.556   19.862 16.77882 24.20765 
1 1 1    9   15   37 o  371.461   15.350  1756.86  142.383  1736.30  175.527  1796.43  243.473  366.812   19.229  367.693   26.699 -0.8809509 32.90260 
1 1 1    9   15   38 o  182.379   11.496  422.290   52.088  408.023   66.185  445.504   84.428  178.222   15.011  184.973   18.527 -6.750809 23.84488 
1 1 1    9   15   39 o  192.213   14.425  474.812   68.732  532.286  107.661  435.271   89.298  200.019   21.913  181.617   20.022 18.40149 29.68283 
1 1 1    9   15   40 o  158.968   12.005  323.405   47.306  354.297   62.030  280.460   73.136  165.251   15.202  144.449   20.881 20.80154 25.82903 
1 1 1    9   15   41 o  159.770   12.316  328.118   48.758  351.662   64.529  296.789   74.437  163.882   15.971  148.133   20.687 15.74850 26.13467 
1 1 1    9   15   42 o  152.845   12.693  301.931   48.010  312.006   64.068  289.027   72.506  153.381   17.014  145.697   20.495 7.684204 26.63679 
1 1 1    9   15   43 o   65.258   19.227   58.342   33.455   66.778   51.560   52.207   43.966   70.543   24.231   63.778   22.348 6.764549 32.96323 
1 1 1    9   15   44 o   53.764   21.478   25.540   43.558   0.0000   0.0000   25.540   43.558  ?   ?    53.764   21.478 0.000000 21.47820 
1 1 1    9   16    0 o  239.148   14.160  719.545   84.185  653.396  116.535  791.746  121.748  226.815   20.807  250.061   19.655 -23.24658 28.62250 
1 1 1    9   16    1 o  334.706   17.177  1410.48  143.082  1358.05  201.076  1464.26  203.647  326.926   24.815  339.686   24.165 -12.76004 34.63717 
1 1 1    9   16    2 o  194.316   19.472  479.441   93.215   0.0000   0.0000  479.441   93.215  ?   ?   194.316   19.472 0.000000 19.47197 
1 1 1    9   16    3 o  504.726   23.286  3211.87  293.490  3227.19  414.132  3196.42  415.988  502.396   33.197  499.871   33.519 2.525116 47.17596 
1 1 1    9   16    4 o  622.080   27.874  4897.60  433.007  4853.91  611.495  4941.52  613.238  613.708   40.122  619.367   39.861 -5.658569 56.55617 
1 1 1    9   16    5 o  117.416   13.033  174.747   37.571  184.748   51.065  162.944   55.474  120.081   17.547  112.103   20.574 7.978531 27.04097 
1 1 1    9   16    6 f  120.064   12.965  182.586   38.256  196.436   51.619  165.708   56.983  123.968   17.132  113.014   20.963 10.95429 27.07317 
1 1 1    9   16    7 o  444.933   30.066  2519.83  332.095  2519.83  332.095   0.0000   0.0000  444.933   30.066  ?   ?  0.000000 30.06587 
1 1 1    9   16    8 o  721.384   31.951  6607.41  575.580  6652.40  813.459  6562.30  814.526  716.337   45.713  711.223   46.110 5.113892 64.92926 
1 1 1    9   16    9 o  634.050   28.363  5086.47  449.085  5364.01  635.028  4808.80  635.175  646.007   39.555  610.459   41.920 35.54755 57.63618 
1 1 1    9   16   10 f  402.027   15.756  2026.40  158.178  2044.97  193.335  1988.81  275.093  403.463   19.189  395.566   28.031 7.896942 33.96965 
1 1 1    9   16   11 o  515.469   19.264  3338.42  247.976  3515.31  303.570  2983.66  429.897  528.247   23.013  482.350   35.948 45.89694 42.68358 
1 1 1    9   16   12 o  457.034   17.394  2621.70  198.513  2819.69  243.087  2225.31  343.950  473.489   20.559  416.933   33.313 56.55563 39.14663 
1 1 1    9   16   13 o  366.070   16.897  1681.73  154.461  1373.11  216.536  2001.46  220.396  328.511   26.625  398.008   22.264 -69.49664 34.70676 
1 1 1    9   16   14 o  326.634   13.585  1336.70  110.811  1332.98  135.299  1344.28  193.122  325.473   16.703  325.539   23.924 -0.6570435E-01 29.17769 
1 1 1    9   16   15 o  433.751   16.714  2362.07  181.039  2402.51  221.469  2280.61  314.303  436.879   20.300  422.640   29.975 14.23904 36.20183 
1 1 1    9   16   16 o  146.803   10.066  270.922   36.679  294.198   44.198  219.426   65.739  152.839   11.668  130.383   20.897 22.45650 23.93357 
1 1 1    9   16   17 o  451.486   17.243  2562.26  194.401  2716.45  238.114  2254.05  336.649  464.223   20.540  418.757   32.447 45.46527 38.40160 
1 1 1    9   16   18 o  166.512   9.9436  348.260   41.158  351.170   49.658  341.873   73.563  166.986   11.988  163.807   18.296 3.178726 21.87390 
1 1 1    9   16   19 o  173.647   17.911  383.642   76.554  383.642   76.554   0.0000   0.0000  173.647   17.911  ?   ?  0.000000 17.91146 
1 1 1    9   16   20 o  316.279   23.509  1275.83  184.346  1275.83  184.346   0.0000   0.0000  316.279   23.509  ?   ?  0.000000 23.50871 
1 1 1    9   16   21 o  473.321   17.794  2825.88  210.315  2844.94  257.635  2787.82  364.129  473.720   21.779  464.115   31.606 9.605316 38.38314 
1 1 1    9   16   22 o  708.053   22.121  6368.83  391.128  6374.36  553.300  6363.31  552.976  702.160   31.555  701.544   31.565 0.6158447 44.63260 
1 1 1    9   16   23 o  494.747   16.152  3087.36  199.554  3015.39  282.352  3159.19  282.071  486.327   23.249  498.036   22.680 -11.70966 32.47964 
1 1 1    9   16   24 o  236.731   13.813  707.719   81.302   0.0000   0.0000  707.719   81.302  ?   ?   236.731   13.813 0.000000 13.81300 
1 1 1    9   16   25 o  297.275   15.127  1117.61  111.925  1117.61  111.925   0.0000   0.0000  297.275   15.127  ?   ?  0.000000 15.12707 
1 1 1    9   16   26 o  193.968   7.4460  470.998   36.066  399.146   50.526  545.646   51.500  177.884   11.435  208.565   9.8880 -30.68095 15.11719 
1 1 1    9   16   27 o  501.693   18.520  3195.56  232.021  3208.29  284.356  3170.20  401.339  500.588   22.747  490.034   32.989 10.55307 40.07143 
1 1 1    9   16   28 o  438.999   20.934  2459.59  229.490  2460.03  325.757  2459.16  323.352  433.016   30.317  433.098   30.084 -0.8209229E-01 42.71057 
1 1 1    9   16   29 o  122.660   11.363  190.696   34.411  271.906   55.022  138.525   44.100  145.912   15.330  103.096   17.771 42.81598 23.46968 
1 1 1    9   16   30 o  130.616   9.6952  215.233   31.397  206.994   39.322  229.726   52.153  127.636   12.497  133.847   15.915 -6.210968 20.23572 
1 1 1    9   16   31 o  510.387   18.644  3313.41  237.628  3502.98  291.626  2938.84  409.922  522.695   22.342  468.629   35.287 54.06549 41.76582 
1 1 1    9   16   32 o  371.243   14.822  1741.81  137.408  1767.64  168.859  1691.17  236.412  372.872   18.135  360.237   26.466 12.63486 32.08270 
1 1 1    9   16   33 o  218.319   10.864  599.171   59.227  631.607   73.766  540.329   99.355  223.394   13.283  204.876   19.661 18.51839 23.72771 
1 1 1    9   16   34 o  330.229   13.944  1377.65  114.990  1358.57  141.746  1414.36  196.658  326.422   17.453  330.061   24.025 -3.638977 29.69473 
1 1 1    9   16   35 o  379.668   19.477  1848.89  184.038  1848.89  184.038   0.0000   0.0000  379.668   19.477  ?   ?  0.000000 19.47680 
1 1 1    9   16   36 o  213.533   19.909  590.296  104.938  590.296  104.938   0.0000   0.0000  213.533   19.909  ?   ?  0.000000 19.90917 
1 1 1    9   16   37 o  204.342   11.582  528.833   58.857  537.700   74.143  513.724   96.784  205.220   14.562  198.740   19.764 6.480743 24.54917 
1 1 1    9   16   38 o  318.809   13.856  1292.84  110.311  1333.85  137.104  1217.56  185.758  321.858   17.120  302.487   24.810 19.37073 30.14357 
1 1 1    9   16   39 o  109.349   13.033  154.205   34.887  138.092   47.703  172.733   51.153  101.451   19.539  114.089   18.595 -12.63774 26.97284 
1 1 1    9   16   40 o   93.952   14.679  115.842   33.313   97.496   47.126  134.166   47.098   84.116   22.135   99.598   19.635 -15.48248 29.58860 
1 1 1    9   16   41 o  101.809   17.923  139.264   43.902   62.924   82.965  168.953   51.739   76.235   29.898  111.838   19.218 -35.60220 35.54224 
1 1 1    9   16   42 o  144.337   15.937  274.541   56.484  215.880   96.133  305.471   69.804  119.112   31.745  150.767   18.960 -31.65543 36.97566 
1 1 1    9   16   43 o   94.879   16.554  121.230   37.796  109.744   56.645  130.448   50.744   87.230   24.819   96.318   21.627 -9.088219 32.91985 
1 1 1    9   16   44 o   40.182   17.897  -9.2629   36.276   0.0000   0.0000  -9.2629   36.276  ?   ?    40.182   17.897 0.000000 17.89676 
1 1 1    9   17    0 o  524.945   24.253  3491.23  317.925  3552.02  448.363  3429.74  450.875  524.644   34.413  515.079   35.266 9.565247 49.27430 
1 1 1    9   17    1 o  721.392   32.235  6655.25  580.688  6749.41  820.310  6560.67  822.128  716.423   46.097  705.663   46.922 10.75970 65.77653 
1 1 1    9   17    2 o  521.205   24.076  3435.07  313.364  3586.07  442.512  3283.18  443.818  528.367   33.714  504.731   35.437 23.63531 48.91219 
1 1 1    9   17    3 o  209.349   20.031  556.721  103.440   0.0000   0.0000  556.721  103.440  ?   ?   209.349   20.031 0.000000 20.03101 
1 1 1    9   17    4 o  173.726   13.100  380.261   56.413  401.029   77.625  357.013   82.127  177.791   17.720  167.252   20.064 10.53946 26.76879 
1 1 1    9   17    5 o  252.964   14.508  804.865   91.267  761.900  127.226  850.415  130.998  245.099   20.989  259.146   20.408 -14.04689 29.27489 
1 1 1    9   17    6 o  103.306   13.368  135.915   33.676  134.833   44.704  137.335   51.206  102.090   18.203  102.655   20.690 -0.5641708 27.55748 
1 1 1    9   17    7 o  147.835   12.926  275.809   47.239  303.643   64.281  243.126   69.654  154.623   16.924  137.447   20.957 17.17599 26.93720 
1 1 1    9   17    8 o  662.584   42.837  5689.31  704.987  5689.31  704.987   0.0000   0.0000  662.584   42.837  ?   ?  0.000000 42.83715 
1 1 1    9   17    9 o  343.530   17.560  1485.73  150.140  1545.66  211.355  1424.69  213.319  349.094   24.398  334.796   25.712 14.29834 35.44518 
1 1 1    9   17   10 o  292.690   15.894  1077.81  115.732  1137.08  162.690  1017.09  164.669  299.659   21.893  283.007   23.513 16.65201 32.12738 
1 1 1    9   17   11 o  392.939   14.732  1935.78  144.554  1778.98  176.208  2258.47  252.782  376.210   18.756  422.322   24.069 -46.11200 30.51391 
1 1 1    9   17   12 o  378.305   15.125  1794.85  142.882  1821.44  174.540  1740.83  248.778  380.698   18.360  369.811   27.128 10.88699 32.75690 
1 1 1    9   17   13 o  219.109   14.007  604.227   76.241  685.404  106.202  517.900  109.518  232.789   18.420  201.498   22.130 31.29082 28.79251 
1 1 1    9   17   14 o  731.526   25.757  6774.87  470.522  6589.79  575.776  7146.95  816.368  718.743   32.080  740.231   44.369 -21.48834 54.75102 
1 1 1    9   17   15 o  441.398   17.017  2448.24  187.574  2510.90  229.443  2321.98  325.704  446.353   20.585  425.737   30.845 20.61530 37.08296 
1 1 1    9   17   16 o  624.455   22.793  4928.11  355.436  4981.25  435.099  4821.52  616.254  625.965   27.835  608.449   40.795 17.51550 49.38626 
1 1 1    9   17   17 o  349.987   13.787  1536.70  120.494  1466.25  147.016  1680.86  210.307  340.974   17.323  363.731   23.276 -22.75696 29.01468 
1 1 1    9   17   18 o  386.937   14.969  1880.70  144.638  1803.74  176.648  2037.26  251.943  378.300   18.699  399.713   25.372 -21.41287 31.51839 
1 1 1    9   17   19 f  228.297   19.584  662.719  110.566  662.719  110.566   0.0000   0.0000  228.297   19.584  ?   ?  0.000000 19.58377 
1 1 1    9   17   20 o  560.477   37.269  4111.27  518.655  4111.27  518.655   0.0000   0.0000  560.477   37.269  ?   ?  0.000000 37.26939 
1 1 1    9   17   21 o  263.947   11.995  874.233   79.065  893.853   96.705  834.677  137.314  266.180   14.604  255.581   21.720 10.59879 26.17381 
1 1 1    9   17   22 o  536.270   19.969  3645.26  267.417  3643.97  327.565  3647.83  463.044  534.133   24.558  527.083   35.385 7.050415 43.07211 
1 1 1    9   17   23 o  546.596   20.357  3794.14  277.859  3706.77  340.336  3968.78  481.184  537.787   25.342  548.907   35.291 -11.12030 43.44789 
1 1 1    9   17   24 f   70.833   9.5217   64.014   16.416   80.876   20.202   31.242   28.164   79.625   10.409   52.020   17.906 27.60463 20.71179 
1 1 1    9   17   25 o  397.170   15.823  1992.61  156.937  2084.84  192.204  1808.13  271.832  405.227   18.994  372.034   29.501 33.19308 35.08710 
1 1 1    9   17   26 o  263.964   10.306  874.466   67.934  840.846   95.768  908.517   96.380  257.693   14.946  268.013   14.454 -10.31943 20.79220 
1 1 1    9   17   27 o  308.035   12.691  1194.30   97.624  1205.47  119.809  1172.22  168.406  308.462   15.604  301.823   22.505 6.639008 27.38607 
1 1 1    9   17   28 f  303.960   13.035  1163.67   98.942  1095.62  121.335  1298.74  170.934  293.698   16.612  318.022   21.653 -24.32349 27.29096 
1 1 1    9   17   29 o  195.677   9.5736  480.380   46.781  511.950   57.953  421.336   79.255  201.458   11.568  181.387   17.724 20.07091 21.16492 
1 1 1    9   17   30 o  291.055   12.607  1066.69   91.633  1040.62  112.631  1117.72  157.589  286.370   15.811  294.834   21.554 -8.464447 26.73104 
1 1 1    9   17   31 o  470.342   17.681  2809.25  207.667  2872.71  254.789  2683.66  358.429  473.707   21.539  450.188   32.093 23.51877 38.65084 
1 1 1    9   17   32 o  113.619   12.381  164.443   34.560  193.893   57.434  147.727   43.270  121.893   19.528  106.701   16.795 15.19205 25.75646 
1 1 1    9   17   33 o  268.686   14.788  915.530   98.840  984.219  143.982  854.312  135.927  276.487   21.011  257.367   21.342 19.12045 29.94901 
1 1 1    9   17   34 o  507.860   18.682  3289.21  236.923  3500.08  291.084  2875.30  407.815  521.538   22.350  461.168   35.690 60.37045 42.11077 
1 1 1    9   17   35 o  361.498   15.039  1656.04  135.762  1618.21  167.288  1729.00  232.351  355.361   18.920  363.449   25.768 -8.088409 31.96750 
1 1 1    9   17   36 o  272.878   12.896  941.068   87.876  895.738  109.218  1024.28  147.980  264.690   16.608  281.085   21.239 -16.39508 26.96126 
1 1 1    9   17   37 o  191.823   11.049  465.637   52.701  510.438   67.719  396.830   83.923  200.191   13.627  174.493   19.599 25.69823 23.87085 
1 1 1    9   17   38 o  224.142   21.187  659.806  117.182  659.806  117.182   0.0000   0.0000  224.142   21.187  ?   ?  0.000000 21.18699 
1 1 1    9   17   39 o   95.148   24.257  125.035   57.808  125.035   57.808   0.0000   0.0000   95.148   24.257  ?   ?  0.000000 24.25660 
1 1 1    9   17   40 o  116.563   13.090  175.537   37.444  165.435   52.678  185.852   53.234  110.832   19.758  118.044   18.681 -7.212120 27.19068 
1 1 1    9   17   41 o  135.689   12.860  237.695   43.054  213.626   59.536  264.082   62.336  125.908   19.571  140.916   18.135 -15.00823 26.68172 
1 1 1    9   17   42 o  153.226   13.043  303.828   49.432  273.790   67.932  337.634   72.068  142.303   19.640  158.878   18.512 -16.57474 26.98906 
1 1 1    9   17   43 o  112.314   20.345  174.037   54.961   0.0000   0.0000  174.037   54.961  ?   ?   112.314   20.345 0.000000 20.34513 
1 1 1    9   18    0 o   72.558   16.174   68.841   28.559   88.385   35.869   34.997   47.200   82.165   17.981   60.881   22.882 21.28396 29.10135 
1 1 1    9   18    1 o  108.316   13.643  149.550   36.084  149.390   47.053  149.779   56.225  107.441   18.187  106.927   21.796 0.5133438 28.38675 
1 1 1    9   18    2 o  186.048   13.157  436.315   60.734  406.277   82.755  471.381   89.414  178.582   18.841  192.502   18.842 -13.92000 26.64599 
1 1 1    9   18    3 o  362.489   17.785  1653.67  160.992  1542.18  225.710  1769.12  229.696  347.525   26.201  372.756   24.818 -25.23114 36.08928 
1 1 1    9   18    4 o  392.321   27.712  1966.35  269.744   0.0000   0.0000  1966.35  269.744  ?   ?   392.321   27.712 0.000000 27.71162 
1 1 1    9   18    5 o  175.322   12.971  387.366   56.387  374.241   77.069  402.485   82.717  171.519   18.275  177.829   18.917 -6.310684 26.30294 
1 1 1    9   18    6 o  384.687   18.505  1861.89  177.763  1736.53  249.653  1990.81  253.173  368.908   27.294  395.571   25.770 -26.66266 37.53744 
1 1 1    9   18    7 o  210.315   13.595  556.803   71.020  556.999   98.558  556.592  102.428  209.538   19.044  209.321   19.832 0.2167816 27.49490 
1 1 1    9   18    8 o  291.314   15.708  1068.31  113.845  1045.94  159.139  1091.75  162.931  287.037   22.379  293.282   22.417 -6.244751 31.67504 
1 1 1    9   18    9 o  801.020   52.095  8508.83  1036.39  8508.83  1036.39   0.0000   0.0000  801.020   52.095  ?   ?  0.000000 52.09512 
1 1 1    9   18   10 o  137.604   12.693  239.239   43.125  242.494   58.186  235.271   64.238  137.858   17.282  135.345   19.575 2.512939 26.11201 
1 1 1    9   18   11 o  262.741   15.153  869.114   98.998  960.023  138.701  774.704  141.345  275.315   20.318  246.583   23.228 28.73141 30.86036 
1 1 1    9   18   12 o  235.263   10.931  692.932   64.218  627.589   77.535  835.680  114.599  223.275   13.976  257.167   17.958 -33.89110 22.75572 
1 1 1    9   18   13 o  355.488   14.592  1585.61  129.532  1690.38  158.213  1372.60  225.590  366.684   17.278  327.526   27.846 39.15891 32.77102 
1 1 1    9   18   14 o  214.818   13.142  580.705   70.159  531.400   96.837  635.179  101.788  204.526   19.184  223.912   18.366 -19.38516 26.55822 
1 1 1    9   18   15 o  684.794   24.596  5943.92  420.601  5782.69  514.586  6268.43  730.045  672.680   30.634  691.971   42.454 -19.29010 52.35196 
1 1 1    9   18   16 o  180.303   10.501  408.460   47.077  425.577   56.755  370.709   84.286  183.829   12.437  170.233   20.223 13.59541 23.74099 
1 1 1    9   18   17 o  301.561   12.594  1140.52   94.840  1076.99  115.410  1272.64  166.436  292.239   15.874  316.590   21.174 -24.35049 26.46390 
1 1 1    9   18   18 o  294.714   12.962  1089.95   95.398  1165.84  116.341  934.224  166.666  304.111   15.370  269.924   25.010 34.18707 29.35532 
1 1 1    9   18   19 o  414.057   16.192  2158.76  167.420  2204.60  204.663  2066.06  291.076  417.608   19.625  400.275   29.324 17.33276 35.28577 
1 1 1    9   18   20 o  446.199   30.477  2577.31  337.561  2577.31  337.561   0.0000   0.0000  446.199   30.477  ?   ?  0.000000 30.47746 
1 1 1    9   18   21 o  291.475   12.702  1067.26   92.457  1154.54  113.072  891.172  160.606  302.804   14.953  263.046   24.741 39.75775 28.90863 
1 1 1    9   18   22 f  506.964   19.006  3256.40  240.609  3370.08  294.725  3029.20  416.633  514.023   22.961  479.590   35.031 34.43301 41.88475 
1 1 1    9   18   23 o  174.327   17.218  387.949   73.975   0.0000   0.0000  387.949   73.975  ?   ?   174.327   17.218 0.000000 17.21789 
1 1 1    9   18   24 o  135.023   11.104  230.454   37.108  230.454   37.108   0.0000   0.0000  135.023   11.104  ?   ?  0.000000 11.10397 
1 1 1    9   18   25 o  316.818   16.569  1273.23  130.630  1344.63  184.246  1201.06  185.234  323.310   22.970  304.840   24.541 18.46976 33.61382 
1 1 1    9   18   26 o  312.150   23.172  1255.49  179.338  1255.49  179.338   0.0000   0.0000  312.150   23.172  ?   ?  0.000000 23.17223 
1 1 1    9   18   29 o  121.648   15.933  190.325   47.237  190.325   47.237   0.0000   0.0000  121.648   15.933  ?   ?  0.000000 15.93303 
1 1 1    9   18   30 o  376.928   26.838  1851.33  250.967  1851.33  250.967   0.0000   0.0000  376.928   26.838  ?   ?  0.000000 26.83826 
1 1 1    9   18   31 o  264.175   14.282  883.694   93.864  948.681  133.357  819.888  132.140  272.045   19.765  252.318   21.167 19.72737 28.96063 
1 1 1    9   18   32 o  255.268   12.166  820.475   77.553  728.369   95.515  998.680  132.857  239.252   16.080  279.287   19.165 -40.03519 25.01786 
1 1 1    9   18   33 o  457.755   17.016  2661.15  194.514  2807.65  238.947  2373.36  334.909  468.448   20.426  422.384   31.989 46.06445 37.95444 
1 1 1    9   18   34 f  265.547   11.686  887.925   77.492  917.311   96.183  833.566  130.817  268.957   14.373  254.206   20.790 14.75102 25.27417 
1 1 1    9   18   35 o  284.286   12.352  1019.43   87.692  1057.09  108.909  950.003  147.873  288.366   15.178  270.637   22.072 17.72919 26.78712 
1 1 1    9   18   36 o  287.060   15.981  1051.51  114.107  1044.18  165.813  1058.11  157.270  282.449   23.728  285.118   22.265 -2.668732 32.53902 
1 1 1    9   18   37 o   83.910   12.702   91.042   25.783   96.534   37.769   86.248   35.284   85.179   18.302   80.493   18.004 4.686119 25.67313 
1 1 1    9   18   38 o  158.330   10.790  318.026   42.405  365.687   56.658  257.322   63.941  169.099   13.531  140.031   18.757 29.06813 23.12775 
1 1 1    9   18   39 o   51.421   16.389   33.553   23.718  -3.5037   39.878   53.837   29.504   44.472   19.316   63.578   17.851 -19.10649 26.30098 
1 1 1    9   18   40 o  130.975   11.983  220.022   38.757  234.361   54.804  205.676   54.818  133.570   16.802  124.491   18.168 9.078812 24.74688 
1 1 1    9   18   41 o   83.341   26.998   96.520   64.163   96.520   64.163   0.0000   0.0000   83.341   26.998  ?   ?  0.000000 26.99795 
1 1 1    9   18   42 o  138.526   15.081  251.659   51.326  201.287   85.145  280.411   64.327  116.443   29.304  144.802   18.191 -28.35899 34.49155 
1 1 1    9   18   43 f  135.142   19.035  247.537   62.458   0.0000   0.0000  247.537   62.458  ?   ?   135.142   19.035 0.000000 19.03482 
1 1 1    9   19    0 o  316.773   23.711  1285.74  186.201  1285.74  186.201   0.0000   0.0000  316.773   23.711  ?   ?  0.000000 23.71065 
1 1 1    9   19    1 o  254.254   14.916  816.087   94.290  825.747  130.751  805.621  136.101  254.470   20.757  251.026   21.932 3.444611 30.19674 
1 1 1    9   19    2 o  336.517   17.483  1431.65  146.410  1468.97  205.016  1392.82  209.156  338.931   24.386  329.584   25.614 9.347870 35.36598 
1 1 1    9   19    3 f  355.615   18.084  1598.71  160.065  1633.35  224.697  1563.03  228.074  357.360   25.343  349.210   26.348 8.149933 36.55828 
1 1 1    9   19    4 o  132.348   13.161  221.941   42.920  254.898   57.881  181.684   63.971  141.347   16.722  117.866   22.556 23.48126 28.07844 
1 1 1    9   19    5 o  235.503   20.845  706.112  121.323   0.0000   0.0000  706.112  121.323  ?   ?   235.503   20.845 0.000000 20.84520 
1 1 1    9   19    6 o  436.864   20.906  2410.91  228.067  2481.36  321.164  2339.24  323.923  439.800   29.413  426.488   30.619 13.31143 42.45698 
1 1 1    9   19    7 o  520.353   24.141  3432.40  313.696  3601.95  442.704  3261.43  444.569  528.308   33.732  501.627   35.724 26.68085 49.13300 
1 1 1    9   19    8 o  364.512   18.036  1672.88  164.172  1638.64  230.539  1708.11  233.845  358.290   25.942  365.898   25.757 -7.608063 36.55712 
1 1 1    9   19    9 f  215.049   13.706  582.513   73.218  583.095  101.031  581.869  106.259  214.285   19.080  213.855   20.135 0.4298096 27.73891 
1 1 1    9   19   10 f  328.176   24.051  1371.50  195.727  1371.50  195.727   0.0000   0.0000  328.176   24.051  ?   ?  0.000000 24.05073 
1 1 1    9   19   11 o  366.714   18.579  1698.18  169.583  1853.00  238.714  1540.45  240.954  381.347   25.210  346.694   28.073 34.65292 37.73045 
1 1 1    9   19   12 o  320.098   16.787  1292.19  133.719  1327.72  187.519  1255.43  190.736  322.985   23.408  313.727   24.542 9.258087 33.91529 
1 1 1    9   19   13 o  393.651   18.984  1953.43  186.615  1898.54  262.429  2009.59  265.424  385.168   27.464  396.492   26.968 -11.32346 38.49072 
1 1 1    9   19   14 o  192.099   9.9378  463.236   47.509  403.885   56.757  602.164   86.836  179.001   12.782  218.257   16.045 -39.25613 20.51355 
1 1 1    9   19   15 o  273.614   13.647  939.749   93.244  722.489  128.998  1177.47  134.936  237.941   21.958  305.204   17.782 -67.26262 28.25475 
1 1 1    9   19   16 f  388.420   15.598  1897.54  151.290  2014.41  184.795  1660.00  263.467  399.607   18.519  358.770   29.674 40.83679 34.97823 
1 1 1    9   19   17 o  493.647   18.471  3075.61  227.694  3016.67  278.255  3195.04  396.125  487.509   22.857  496.865   32.097 -9.355286 39.40392 
1 1 1    9   19   18 o  117.738   9.6393  174.778   28.093  172.305   32.861  181.493   54.149  116.665   11.426  118.426   18.949 -1.761154 22.12743 
1 1 1    9   19   19 o  225.232   11.354  637.946   63.656  697.155   77.147  511.641  112.677  235.195   13.188  199.272   23.070 35.92242 26.57356 
1 1 1    9   19   20 o  432.782   29.763  2428.84  319.703  2428.84  319.703   0.0000   0.0000  432.782   29.763  ?   ?  0.000000 29.76291 
1 1 1    9   19   21 o  486.497   18.482  2996.87  224.534  3103.98  274.798  2781.74  389.467  493.552   22.296  459.968   34.151 33.58435 40.78492 
1 1 1    9   19   22 o  345.841   25.186  1542.47  216.015   0.0000   0.0000  1542.47  216.015  ?   ?   345.841   25.186 0.000000 25.18554 
1 1 1    9   19   23 o  134.027   9.2792  226.249   30.865  248.124   37.555  180.717   54.181  140.178   10.812  117.895   19.054 22.28371 21.90744 
1 1 1    9   19   24 o  444.927   20.938  2524.42  232.640  2667.56  329.142  2381.52  328.862  452.036   29.316  425.829   31.142 26.20694 42.77021 
1 1 1    9   19   36 o  252.040   14.700  808.841   92.120  772.474  132.124  843.242  128.505  243.405   21.974  255.144   20.338 -11.73958 29.94149 
1 1 1    9   19   37 o  137.086   10.102  237.984   34.337  257.730   45.638  212.223   52.127  142.056   13.010  127.812   16.734 14.24381 21.19607 
1 1 1    9   19   38 o  135.599   11.873  234.546   39.798  175.828   52.556  313.476   60.934  115.259   18.916  155.729   15.891 -40.47014 24.70542 
1 1 1    9   19   39 o  149.719   12.986  287.412   48.071  325.625   79.499  265.388   60.354  156.386   20.878  142.372   17.334 14.01483 27.13591 
1 1 1    9   19   40 o  157.593   11.458  317.201   44.784  323.243   60.595  309.929   66.480  157.619   15.600  153.446   17.672 4.173630 23.57261 
1 1 1    9   19   41 o  168.465   11.963  363.974   50.000  352.005   67.206  378.811   74.829  163.647   16.679  169.145   17.992 -5.498154 24.53345 
1 1 1    9   19   42 o  202.906   19.575  552.600   97.955   0.0000   0.0000  552.600   97.955  ?   ?   202.906   19.575 0.000000 19.57509 
1 1 1    9   20    0 o  218.258   14.039  602.567   76.112  604.370  104.160  600.500  111.493  217.325   19.397  216.201   20.912 1.124588 28.52275 
1 1 1    9   20    1 o  383.792   27.265  1905.72  259.610  1905.72  259.610   0.0000   0.0000  383.792   27.265  ?   ?  0.000000 27.26526 
1 1 1    9   20    2 o  390.780   19.152  1934.45  186.897  1912.78  262.062  1956.89  266.621  384.803   27.452  389.157   27.615 -4.353943 38.93848 
1 1 1    9   20    3 o  185.947   13.335  436.766   61.509  440.054   83.579  432.880   90.850  185.723   18.257  183.768   20.126 1.954483 27.17323 
1 1 1    9   20    4 o  418.144   20.487  2215.52  213.922  2390.46  301.129  2037.27  303.953  430.713   28.152  396.186   30.969 34.52652 41.85210 
1 1 1    9   20    5 o  315.790   16.194  1259.37  127.271  1150.26  177.410  1375.06  182.682  299.745   23.900  328.357   22.413 -28.61246 32.76525 
1 1 1    9   20    6 o  275.765   22.388  970.981  152.842   0.0000   0.0000  970.981  152.842  ?   ?   275.765   22.388 0.000000 22.38821 
1 1 1    9   20    7 o  260.458   15.342  856.201   99.344  956.164  138.480  750.205  142.598  274.216   20.368  241.831   23.927 32.38455 31.42251 
1 1 1    9   20    8 o  134.122   12.804  227.767   42.363  224.439   55.810  232.290   65.070  132.372   17.297  134.151   20.038 -1.779205 26.47121 
1 1 1    9   20    9 o  306.831   16.687  1188.86  127.374  1318.03  178.589  1055.12  181.720  321.719   22.368  286.767   25.647 34.95187 34.03084 
1 1 1    9   20   10 o  250.413   15.123  791.177   94.122  926.485  131.400  648.597  134.885  270.147   19.612  224.645   24.439 45.50244 31.33488 
1 1 1    9   20   11 o  147.839   17.246  278.984   62.474  278.984   62.474   0.0000   0.0000  147.839   17.246  ?   ?  0.000000 17.24648 
1 1 1    9   20   12 o  137.694   12.650  239.866   43.010  244.274   57.406  234.225   64.939  138.251   16.985  134.754   19.897 3.496872 26.16038 
1 1 1    9   20   13 o  263.696   15.159  877.273   99.399  924.735  138.569  826.968  142.662  269.573   20.744  254.356   22.699 15.21667 30.74965 
1 1 1    9   20   14 o  230.904   14.072  672.371   80.754  684.326  112.017  659.434  116.523  231.907   19.524  227.344   20.753 4.562866 28.49403 
1 1 1    9   20   15 o  377.085   14.036  1787.00  132.166  1569.62  160.575  2243.58  232.716  352.142   18.324  419.899   22.273 -67.75613 28.84203 
1 1 1    9   20   16 o   90.431   11.642  104.257   25.680   55.123   31.435  202.827   44.525   65.216   18.466  126.204   14.385 -60.98790 23.40791 
1 1 1    9   20   17 o  308.953   13.184  1199.32  101.713  1209.19  123.626  1178.65  178.943  309.350   16.059  303.260   23.821 6.089996 28.72817 
1 1 1    9   20   18 o  133.421   9.7780  224.260   32.351  231.136   37.950  205.979   61.881  135.257   11.341  125.918   20.376 9.338722 23.31906 
1 1 1    9   20   19 o  421.755   15.807  2243.41  166.478  2066.00  202.936  2608.48  291.112  403.479   20.141  450.267   26.001 -46.78726 32.88966 
1 1 1    9   20   20 o  405.096   15.779  2070.79  159.623  2076.74  194.901  2058.67  278.184  404.625   19.289  398.471   28.138 6.154144 34.11433 
1 1 1    9   20   21 o  341.164   14.197  1466.50  120.955  1542.70  147.512  1310.14  211.312  349.255   16.913  317.761   26.882 31.49451 31.76032 
1 1 1    9   20   22 o  370.970   14.988  1736.60  138.844  1825.10  169.718  1557.52  241.428  379.451   17.911  345.706   28.212 33.74460 33.41733 
1 1 1    9   20   23 o  449.887   17.284  2564.45  194.178  2629.85  237.661  2433.12  336.774  454.035   20.961  429.977   31.586 24.05838 37.90840 
1 1 1    9   20   24 o  439.422   30.379  2534.56  331.305  2534.56  331.305   0.0000   0.0000  439.422   30.379  ?   ?  0.000000 30.37874 
1 1 1    9   20   40 o  160.877   14.245  334.620   56.636  203.915   83.714  444.935   76.908  119.147   28.516  184.475   16.882 -65.32816 33.13874 
1 1 1    9   20   41 o  196.747   10.632  493.361   52.043  539.930   99.045  475.600   61.167  200.849   20.014  192.282   12.812 8.566818 23.76379 
1 1 1    9   20   42 o   67.414   17.177   61.926   29.000   0.0000   0.0000   61.926   29.000  ?   ?    67.414   17.177 0.000000 17.17704 
1 1 1    9   21    0 f  165.981   13.419  349.639   55.144  379.011   74.108  313.202   82.541  171.917   17.506  154.901   21.953 17.01636 28.07869 
1 1 1    9   21    1 o  103.030   14.600  136.580   36.512  192.614   46.993   51.228   57.998  122.450   15.732   69.526   25.506 52.92377 29.96794 
1 1 1    9   21    2 f  170.617   17.916  373.009   75.192  373.009   75.192   0.0000   0.0000  170.617   17.916  ?   ?  0.000000 17.91554 
1 1 1    9   21    3 o  189.855   13.571  456.108   63.918  477.312   86.884  431.096   94.364  193.235   18.221  182.832   21.053 10.40370 27.84259 
1 1 1    9   21    4 o  180.744   13.977  413.744   62.595  508.016   85.203  303.207   92.261  199.709   17.254  151.898   25.207 47.81088 30.54637 
1 1 1    9   21    5 o  184.006   12.825  427.640   58.562  376.836   78.685  490.725   87.681  171.529   18.671  196.126   18.107 -24.59729 26.00942 
1 1 1    9   21    6 o  165.457   12.909  346.114   52.914  343.038   71.205  349.908   79.075  163.825   17.686  165.057   19.565 -1.232407 26.37406 
1 1 1    9   21    7 o  175.539   19.675  395.078   84.763   0.0000   0.0000  395.078   84.763  ?   ?   175.539   19.675 0.000000 19.67530 
1 1 1    9   21    8 o  147.151   12.893  274.079   46.900  287.154   62.528  257.262   70.914  149.916   17.003  140.981   20.765 8.935593 26.83791 
1 1 1    9   21    9 o  240.536   14.309  730.332   85.562  723.469  118.214  737.883  123.998  238.158   20.064  240.330   20.868 -2.171906 28.94916 
1 1 1    9   21   10 o  186.122   13.611  437.708   62.822  509.773   86.231  356.194   91.710  200.230   17.419  165.903   22.735 34.32639 28.64094 
1 1 1    9   21   11 o  367.161   18.754  1708.83  171.372  1845.97  240.708  1567.88  244.040  379.254   25.565  348.309   28.302 30.94574 38.13908 
1 1 1    9   21   12 o  393.377   27.563  1994.28  269.053  1994.28  269.053   0.0000   0.0000  393.377   27.563  ?   ?  0.000000 27.56324 
1 1 1    9   21   13 o  446.635   20.535  2529.36  229.034  2314.82  321.614  2750.12  326.240  422.313   30.707  461.703   28.434 -39.39056 41.84980 
1 1 1    9   21   14 o  483.964   22.309  2979.18  269.616  2844.56  379.250  3116.74  383.372  466.989   32.728  489.658   31.520 -22.66858 45.43858 
1 1 1    9   21   15 o  224.870   13.970  638.526   78.061  657.578  107.596  617.355  113.424  227.113   19.150  219.560   20.941 7.552185 28.37713 
1 1 1    9   21   16 o  194.375   10.711  475.322   51.788  507.687   62.062  401.112   93.976  200.645   12.448  176.305   21.811 24.34067 25.11279 
1 1 1    9   21   17 o  228.236   14.712  658.908   83.402  800.716  116.073  507.547  119.919  250.764   18.670  197.670   24.843 53.09453 31.07582 
1 1 1    9   21   18 o  102.835   9.7979  133.777   24.857  138.320   28.439  119.077   51.158  104.398   11.078   94.824   22.026 9.573578 24.65482 
1 1 1    9   21   19 f  314.539   13.445  1245.40  105.607  1300.77  128.504  1130.19  185.357  320.906   16.036  295.600   25.356 25.30576 30.00103 
1 1 1    9   21   20 o  329.401   12.498  1364.79  102.808  1154.65  124.527  1814.64  182.197  301.703   16.592  377.414   19.397 -75.71149 25.52570 
1 1 1    9   21   22 o  280.565   14.856  996.582  103.714  996.582  103.714   0.0000   0.0000  280.565   14.856  ?   ?  0.000000 14.85595 
1 1 1    9   21   23 o  174.469   9.4536  382.945   41.034  361.706   49.353  430.503   73.851  169.193   11.754  183.728   16.264 -14.53485 20.06711 
1 1 1    9   21   24 o  436.537   20.705  2433.95  225.713  2394.35  318.945  2473.67  319.469  426.764   30.121  434.145   29.645 -7.380890 42.26232 
1 1 1    9   22    0 o  151.921   12.887  293.370   48.428  271.186   63.362  324.535   75.100  144.815   17.902  158.158   19.423 -13.34248 26.41509 
1 1 1    9   22    1 o   97.545   13.607  122.413   32.242  102.217   40.269  158.484   53.816   87.889   18.909  109.600   20.414 -21.71059 27.82589 
1 1 1    9   22    2 o  297.155   16.028  1122.35  118.498  1086.11  164.369  1161.56  170.990  289.658   22.911  299.547   23.035 -9.888977 32.48915 
1 1 1    9   22    3 o  145.855   17.383  273.710   62.065  273.710   62.065   0.0000   0.0000  145.855   17.383  ?   ?  0.000000 17.38264 
1 1 1    9   22    4 o  222.618   13.954  627.543   77.182  605.710  105.138  653.059  113.664  217.227   19.593  225.363   20.419 -8.135788 28.29849 
1 1 1    9   22    5 o  288.059   16.387  1053.35  117.390  1176.11  163.621  923.135  168.515  302.574   21.801  266.414   25.647 36.16040 33.66057 
1 1 1    9   22    6 o  245.827   14.253  764.433   87.122  712.917  119.800  822.261  126.928  235.713   20.559  253.367   20.230 -17.65376 28.84276 
1 1 1    9   22    7 o  307.773   17.004  1202.18  130.177  1334.11  181.744  1063.18  186.547  322.272   22.729  286.089   26.410 36.18356 34.84375 
1 1 1    9   22    8 o   82.302   22.423   89.319   47.338   0.0000   0.0000   89.319   47.338  ?   ?    82.302   22.423 0.000000 22.42323 
1 1 1    9   22    9 o  173.906   12.741  382.324   54.948  358.577   73.991  411.526   82.049  167.349   17.988  179.260   18.600 -11.91139 25.87485 
1 1 1    9   22   10 o  261.569   15.441  866.065  100.414  950.009  139.403  775.544  144.761  272.582   20.633  245.096   23.958 27.48586 31.61816 
1 1 1    9   22   11 o   80.123   14.278   83.236   27.520   84.356   33.658   80.977   47.799   80.172   17.318   78.815   22.915 1.357063 28.72272 
1 1 1    9   22   12 o  244.130   13.989  752.858   84.928  692.789  116.871  820.073  123.626  232.643   20.321  253.435   19.689 -20.79230 28.29470 
1 1 1    9   22   13 o  489.254   33.330  3145.77  404.784  3145.77  404.784   0.0000   0.0000  489.254   33.330  ?   ?  0.000000 33.32985 
1 1 1    9   22   14 o  239.693   12.845  724.604   76.603  557.624  104.301  920.157  112.873  208.510   20.288  269.272   16.871 -60.76141 26.38655 
1 1 1    9   22   15 o  326.882   16.597  1354.03  135.032  1284.89  188.245  1427.31  193.804  315.860   24.047  333.243   23.438 -17.38263 33.57952 
1 1 1    9   22   16 o  312.800   16.868  1241.15  131.276  1317.07  183.401  1161.39  187.988  320.098   23.099  299.595   25.365 20.50256 34.30710 
1 1 1    9   22   17 o  170.977   9.4615  367.659   40.240  302.712   47.213  540.107   76.932  154.669   12.326  206.351   15.033 -51.68211 19.44043 
1 1 1    9   22   18 o  242.846   13.944  745.716   84.205  689.999  116.193  807.345  122.201  231.933   20.265  251.206   19.636 -19.27286 28.21816 
1 1 1    9   22   19 o  314.295   13.290  1244.35  104.305  1252.32  126.666  1227.55  183.839  314.228   16.197  308.228   24.076 6.000061 29.01698 
1 1 1    9   22   20 o  392.692   28.165  2013.50  274.357   0.0000   0.0000  2013.50  274.357  ?   ?   392.692   28.165 0.000000 28.16484 
1 1 1    9   22   21 o  219.317   10.637  604.190   58.258  593.966   69.842  627.576  105.626  216.762   12.962  221.215   19.314 -4.452835 23.26086 
1 1 1    9   22   22 o  414.946   29.004  2257.46  298.647  2257.46  298.647   0.0000   0.0000  414.946   29.004  ?   ?  0.000000 29.00393 
1 1 1    9   22   23 o  242.053   8.2701  734.317   49.989  621.345   68.673  861.647   72.907  221.788   12.450  261.797   11.152 -40.00964 16.71414 
1 1 1    9   22   24 o  188.679   8.8882  446.470   41.878  490.079   58.462  400.508   60.018  196.976   11.942  177.668   13.632 19.30815 18.12250 
1 1 1    9   23    0 o  110.284   23.053  163.335   61.443   0.0000   0.0000  163.335   61.443  ?   ?   110.284   23.053 0.000000 23.05285 
1 1 1    9   23    1 o  281.989   15.869  1014.04  111.289  1017.96  153.545  1009.71  161.531  279.799   22.157  277.979   23.490 1.819977 32.29074 
1 1 1    9   23    2 o  206.493   14.881  543.229   76.218  722.422  104.984  343.524  110.830  237.304   17.847  159.227   28.939 78.07698 33.99979 
1 1 1    9   23    3 o  288.869   16.501  1063.92  118.535  1173.37  164.807  946.624  170.612  301.005   22.080  268.440   25.768 32.56506 33.93386 
1 1 1    9   23    4 o  105.965   14.352  144.502   37.000  170.445   45.814   95.846   62.742  114.754   16.459   85.615   26.570 29.13824 31.25487 
1 1 1    9   23    5 o  208.548   13.845  551.669   71.694  550.892   96.727  552.616  106.799  207.012   18.920  206.665   20.985 0.3477631 28.25541 
1 1 1    9   23    6 o   37.262   14.446   11.170   19.198   18.952   21.598 -18.1116   41.896   42.773   15.584   42.490   19.056 0.2827530 24.61731 
1 1 1    9   23    7 o  255.523   14.639  827.634   93.023  792.166  128.010  867.321  135.410  248.060   20.859  259.555   21.073 -11.49458 29.65084 
1 1 1    9   23    8 o   65.609   15.636   56.615   25.254   72.886   30.552   21.522   44.870   74.392   16.839   55.051   21.860 19.34102 27.59361 
1 1 1    9   23    9 o  127.893   20.731  213.832   63.943   0.0000   0.0000  213.832   63.943  ?   ?   127.893   20.731 0.000000 20.73107 
1 1 1    9   23   10 o  246.986   15.218  773.677   93.406  881.674  129.501  656.569  134.853  262.322   19.918  224.645   24.433 37.67757 31.52272 
1 1 1    9   23   11 o  255.430   15.008  826.831   95.307  859.887  131.803  790.604  137.978  258.862   20.559  247.460   22.577 11.40286 30.53479 
1 1 1    9   23   12 o  145.455   13.955  269.173   50.067  373.943   67.160  138.111   75.116  171.250   15.886  101.572   28.470 69.67811 32.60213 
1 1 1    9   23   13 o  559.063   26.309  4040.77  367.295  4325.00  518.036  3753.44  520.843  568.341   36.697  526.066   39.946 42.27539 54.24306 
1 1 1    9   23   14 o  314.120   23.494  1273.40  182.955  1273.40  182.955   0.0000   0.0000  314.120   23.494  ?   ?  0.000000 23.49385 
1 1 1    9   23   15 o  296.836   15.898  1117.66  117.419  1099.10  162.925  1137.72  169.374  292.073   22.512  296.981   23.018 -4.907959 32.19652 
1 1 1    9   23   16 o  377.851   17.785  1812.36  167.817  1632.95  234.103  2002.00  240.692  354.173   26.665  393.493   24.619 -39.31943 36.29180 
1 1 1    9   23   17 o  113.874   12.496  165.170   34.950  171.017   44.314  155.548   56.849  115.233   15.817  108.432   21.751 6.801125 26.89416 
1 1 1    9   23   18 o  204.976   14.675  533.365   74.617  661.387  102.613  389.712  108.697  227.415   18.222  171.761   26.169 55.65340 31.88823 
1 1 1    9   23   19 o  192.051   10.484  464.689   50.092  517.465   59.808  340.663   91.684  202.445   11.882  161.211   23.463 41.23450 26.30009 
1 1 1    9   23   20 o  119.214   9.7217  179.560   28.689  189.020   32.945  149.875   58.361  122.153   10.915  106.121   22.709 16.03152 25.19581 
1 1 1    9   23   21 o  149.351   9.3489  280.976   34.692  262.619   40.251  334.003   68.410  144.074   11.278  161.320   17.249 -17.24553 20.60867 
1 1 1    9   23   22 o  108.464   10.606  149.227   28.359  158.844   41.233  140.595   39.066  111.049   15.273  104.314   15.465 6.735184 21.73591 
1 1 1    9   23   23 o   83.180   7.8318   87.459   16.076   84.634   19.267   93.933   29.170   81.550   9.6479   85.127   14.224 -3.577530 17.18708 
1 1 1    9   23   24 o  127.026   8.1235  203.069   25.633  242.334   34.636  155.522   38.115  138.539   10.081  110.075   14.197 28.46408 17.41194 
1 1 1    9   24    0 o   60.168   16.405   47.732   25.326   57.477   29.606   21.143   48.903   65.848   17.647   56.260   22.658 9.588238 28.71887 
1 1 1    9   24    1 o  123.994   22.634  205.437   67.500   0.0000   0.0000  205.437   67.500  ?   ?   123.994   22.634 0.000000 22.63374 
1 1 1    9   24    2 o  295.219   16.740  1115.45  122.899  1207.84  170.509  1015.54  177.302  304.245   22.604  276.953   25.938 27.29163 34.40565 
1 1 1    9   24    3 o  196.205   14.213  490.437   69.165  549.612   93.294  418.221  103.063  206.463   18.284  177.880   23.799 28.58337 30.01146 
1 1 1    9   24    4 o  324.401   17.930  1348.57  144.687  1536.76  202.063  1150.56  207.273  343.131   23.727  293.771   28.618 49.36029 37.17467 
1 1 1    9   24    5 o   72.396   15.158   68.904   26.525   62.425   31.235   85.659   50.232   68.682   17.995   80.420   23.522 -11.73791 29.61618 
1 1 1    9   24    6 o  288.833   22.501  1083.22  161.010  1083.22  161.010   0.0000   0.0000  288.833   22.501  ?   ?  0.000000 22.50070 
1 1 1    9   24    7 o  101.920   14.118  133.791   34.967  169.804   44.262   74.007   57.030  114.635   15.889   76.849   25.482 37.78665 30.03020 
1 1 1    9   24    8 o  198.771   14.040  501.920   69.242  561.597   94.151  431.619  102.188  209.135   18.210  181.568   23.058 27.56648 29.38100 
1 1 1    9   24    9 o  140.944   12.016  252.034   41.888  200.792   53.465  333.479   67.405  124.434   17.705  161.134   17.008 -36.70042 24.55128 
1 1 1    9   24   10 o  203.543   12.667  524.312   64.066  427.976   85.905  645.042   96.168  182.169   19.172  224.625   17.277 -42.45641 25.80793 
1 1 1    9   24   11 o  160.376   13.206  326.637   52.420  361.746   70.227  282.464   78.774  167.952   16.978  146.756   22.188 21.19614 27.93787 
1 1 1    9   24   12 o  249.193   14.597  787.742   90.438  779.128  124.093  797.500  132.077  245.998   20.384  248.486   21.497 -2.487289 29.62485 
1 1 1    9   24   13 o  289.799   14.759  1064.74  106.456  916.357  146.523  1230.65  154.931  266.198   22.246  309.649   20.146 -43.45047 30.01235 
1 1 1    9   24   14 o  252.368   15.170  808.783   95.159  861.774  130.984  749.553  138.480  258.806   20.433  240.150   23.388 18.65620 31.05705 
1 1 1    9   24   15 o  474.204   32.879  2997.99  386.943  2997.99  386.943   0.0000   0.0000  474.204   32.879  ?   ?  0.000000 32.87923 
1 1 1    9   24   16 o  132.459   12.198  222.820   39.895  208.521   50.997  245.372   64.046  127.214   16.438  137.461   19.180 -10.24729 25.26037 
1 1 1    9   24   17 o  353.522   18.539  1596.46  163.091  1709.87  228.101  1477.84  233.278  362.398   25.365  335.220   28.127 27.17874 37.87522 
1 1 1    9   24   18 o  318.832   16.367  1292.81  129.873  1236.18  180.187  1354.03  187.358  308.759   23.547  323.308   23.364 -14.54956 33.17125 
1 1 1    9   24   19 o  330.382   17.216  1390.74  141.542  1403.25  197.323  1377.47  203.146  328.692   24.211  325.113   25.219 3.578827 34.95963 
1 1 1    9   24   20 o  117.792   11.356  176.173   32.990  176.173   32.990   0.0000   0.0000  117.792   11.356  ?   ?  0.000000 11.35606 
1 1 1    9   24   21 o  398.488   13.920  2006.11  138.518  2220.10  194.443  1785.62  197.376  417.264   18.661  372.484   21.308 44.77927 28.32420 
1 1 1    9   24   22 o  104.198   9.0132  137.241   23.222  163.798   28.807   87.965   39.240  113.717   10.255   81.400   19.550 32.31637 22.07604 
1 1 1    9   24   23 o  277.140   16.581  978.570  114.223  1188.01  160.069  761.271  163.045  303.576   21.249  239.933   27.723 63.64279 34.92943 
1 1 1    9   24   24 o  292.773   10.466  1077.52   76.516  1102.39  107.099  1051.59  109.358  295.209   14.528  287.745   15.274 7.463928 21.07966 
1 1 1    9   24   25 f  154.060   8.1038  298.375   31.067  293.551   43.186  303.551   44.726  152.292   11.439  154.840   11.653 -2.547562 16.32907 
1 1 1    9   25    0 o  169.404   14.047  367.242   58.887  420.465   77.822  295.944   90.073  180.180   17.517  147.901   25.297 32.27939 30.77010 
1 1 1    9   25    1 o   96.790   15.122  122.033   35.354  161.143   43.545   46.399   60.556  111.237   16.148   67.937   25.829 43.29907 30.46140 
1 1 1    9   25    2 o   94.340   24.263  121.092   57.483   0.0000   0.0000  121.092   57.483  ?   ?    94.340   24.263 0.000000 24.26295 
1 1 1    9   25    3 f  108.062   13.640  150.306   35.987  155.084   45.020  141.851   59.892  108.897   17.120  102.246   23.888 6.651825 29.38946 
1 1 1    9   25    4 o  188.774   13.413  453.623   62.820  440.947   83.659  470.011   95.122  184.561   18.397  189.859   20.382 -5.297424 27.45681 
1 1 1    9   25    5 o  306.511   16.978  1203.12  129.442  1263.63  179.288  1137.23  187.077  310.797   23.269  293.233   25.811 17.56393 34.75169 
1 1 1    9   25    6 o  186.536   14.289  443.702   66.056  532.631   89.169  335.545   98.337  203.388   17.734  158.227   25.775 45.16130 31.28673 
1 1 1    9   25    7 o  257.179   21.008  858.036  133.738  858.036  133.738   0.0000   0.0000  257.179   21.008  ?   ?  0.000000 21.00761 
1 1 1    9   25    8 f  216.741   14.595  598.173   78.535  670.623  107.059  513.766  115.556  228.069   18.970  197.535   23.913 30.53329 30.52369 
1 1 1    9   25    9 o  347.806   18.509  1551.15  160.178  1682.44  223.769  1413.18  229.387  358.353   25.165  326.167   28.448 32.18585 37.98101 
1 1 1    9   25   10 o  347.651   18.778  1550.17  162.415  1765.11  227.279  1325.86  232.178  367.410   24.919  315.102   29.863 52.30762 38.89436 
1 1 1    9   25   11 o  231.507   15.071  682.295   86.656  786.203  119.103  565.422  126.314  247.052   19.463  207.166   24.916 39.88605 31.61696 
1 1 1    9   25   12 o  191.358   20.564  475.094   96.724   0.0000   0.0000  475.094   96.724  ?   ?   191.358   20.564 0.000000 20.56381 
1 1 1    9   25   13 o  298.836   17.511  1141.39  130.104  1395.33  181.550  873.301  186.541  328.239   22.281  255.627   29.781 72.61201 37.19326 
1 1 1    9   25   14 o  127.288   13.015  206.611   40.788  224.410   52.221  178.767   65.316  131.996   16.182  115.673   23.415 16.32294 28.46286 
1 1 1    9   25   15 o  319.077   16.285  1296.43  129.324  1211.70  178.915  1389.14  187.147  305.163   23.663  327.182   23.053 -22.01913 33.03623 
1 1 1    9   25   16 o  357.151   25.944  1669.96  229.811  1669.96  229.811   0.0000   0.0000  357.151   25.944  ?   ?  0.000000 25.94449 
1 1 1    9   25   17 f  213.592   14.127  579.428   74.926  617.276  101.710  534.516  110.795  219.105   18.770  202.569   22.270 16.53601 29.12544 
1 1 1    9   25   18 o  180.122   20.267  420.649   89.578   0.0000   0.0000  420.649   89.578  ?   ?   180.122   20.267 0.000000 20.26722 
1 1 1    9   25   19 o  190.770   17.838  467.553   83.992  467.553   83.992   0.0000   0.0000  190.770   17.838  ?   ?  0.000000 17.83803 
1 1 1    9   25   20 o  213.130   20.629  587.768  108.417   0.0000   0.0000  587.768  108.417  ?   ?   213.130   20.629 0.000000 20.62870 
1 1 1    9   25   21 o  193.086   9.5567  468.265   46.080  547.120   61.787  369.441   69.170  208.034   11.944  169.753   16.527 38.28076 20.39083 
1 1 1    9   25   22 f  267.969   10.528  903.052   70.452  1000.99   97.542  796.241  101.866  281.383   13.882  249.836   16.419 31.54677 21.50094 
1 1 1    9   25   23 o  500.592   15.519  3178.01  194.000  3028.19  272.986  3330.90  275.750  484.495   22.563  508.744   21.705 -24.24939 31.30845 
1 1 1    9   25   24 o  171.740   11.272  372.871   48.073  313.149   65.924  440.698   70.255  155.977   17.212  185.865   15.272 -29.88831 23.01009 
1 1 1    9   25   25 o   87.653   7.9863   97.116   17.289   93.981   22.629  101.511   26.796   85.771   10.805   88.890   12.410 -3.118607 16.45478 
1 1 1    9   26    0 o  125.521   14.036  202.970   43.242  228.257   54.263  158.969   71.578  132.371   16.794  107.009   26.834 25.36160 31.65612 
1 1 1    9   26    1 o  203.467   14.410  529.896   72.743  570.051   97.308  479.028  109.520  209.310   18.818  189.520   23.656 19.79005 30.22823 
1 1 1    9   26    2 o  134.351   14.159  232.055   46.789  289.413   60.218  144.675   74.325  149.521   16.397  102.132   28.210 47.38883 32.62879 
1 1 1    9   26    3 o   97.595   14.524  123.716   34.318  146.171   42.267   80.272   58.791  105.699   16.557   78.748   25.861 26.95126 30.70712 
1 1 1    9   26    4 o  314.399   25.266  1311.56  196.688   0.0000   0.0000  1311.56  196.688  ?   ?   314.399   25.266 0.000000 25.26559 
1 1 1    9   26    5 o  123.337   13.719  195.296   41.538  226.141   52.866  145.532   67.150  132.112   16.375  103.023   26.077 29.08857 30.79259 
1 1 1    9   26    6 o  197.696   14.143  498.649   69.362  547.623   93.448  438.564  103.507  205.758   18.381  182.008   23.309 23.74901 29.68418 
1 1 1    9   26    7 o  106.263   13.687  145.406   35.476  151.575   43.418  133.016   61.534  107.779   16.670   98.850   24.932 8.929314 29.99113 
1 1 1    9   26    8 f  194.696   18.427  490.152   88.525  490.152   88.525   0.0000   0.0000  194.696   18.427  ?   ?  0.000000 18.42703 
1 1 1    9   26    9 o  194.098   14.101  480.126   67.881  535.490   91.412  412.064  101.354  203.729   18.158  176.505   23.585 27.22394 29.76532 
1 1 1    9   26   10 o  165.214   13.060  347.341   53.443  347.949   70.177  346.502   82.459  164.188   17.380  162.734   20.765 1.454117 27.07833 
1 1 1    9   26   11 o   96.975   13.781  121.367   32.433  134.936   39.822   94.633   55.895  101.769   16.214   84.268   24.860 17.50158 29.67996 
1 1 1    9   26   12 o  196.814   13.398  492.260   65.457  484.677   87.660  501.816   98.410  193.825   18.328  196.530   20.347 -2.704773 27.38478 
1 1 1    9   26   13 o   63.492   23.027   44.312   47.077   0.0000   0.0000   44.312   47.077  ?   ?    63.492   23.027 0.000000 23.02717 
1 1 1    9   26   14 o  253.466   15.684  819.337   98.783  922.633  136.025  704.071  143.691  267.076   20.553  230.994   25.326 36.08228 32.61627 
1 1 1    9   26   15 o  147.059   14.101  276.255   51.147  355.707   67.215  166.964   78.832  166.441   16.384  110.443   28.419 55.99784 32.80322 
1 1 1    9   26   16 o  112.533   12.063  161.515   33.369  136.246   40.590  214.201   58.610  102.273   16.451  128.105   18.888 -25.83218 25.04768 
1 1 1    9   26   18 f  154.302   9.9909  300.577   38.290  225.993   54.266  374.527   54.035  132.239   16.813  171.777   12.687 -39.53770 21.06275 
1 1 1    9   26   19 o  125.051   11.793  198.837   36.392  232.041   51.892  166.701   51.050  134.294   15.774  112.770   18.789 21.52477 24.53271 
1 1 1    9   26   20 o   83.184   11.908   88.963   24.031   87.031   30.594   92.076   38.829   81.499   15.601   83.232   19.088 -1.732971 24.65253 
1 1 1    9   26   21 o   51.954   21.111   15.279   42.869   0.0000   0.0000   15.279   42.869  ?   ?    51.954   21.111 0.000000 21.11101 
1 1 1    9   26   22 o  132.385   8.8668  220.982   29.143  281.547   37.440  127.865   46.424  149.305   10.101   98.274   19.604 51.03047 22.05351 
1 1 1    9   26   23 o  246.395   9.4074  762.637   57.883  747.589   79.445  779.663   84.507  242.912   13.146  247.928   13.703 -5.016312 18.98882 
1 1 1    9   26   24 o  169.176   8.2360  359.014   34.794  351.413   46.712  368.487   52.148  166.665   11.290  170.474   12.333 -3.809036 16.72054 
1 1 1    9   26   25 o  165.504   8.6023  344.657   35.430  365.458   48.379  320.596   52.031  169.943   11.467  158.755   13.246 11.18765 17.51965 
1 1 1    9   26   26 o   83.440   8.4019   88.224   17.269  101.970   22.579   68.850   26.804   89.468   10.294   72.354   15.313 17.11371 18.45091 
1 1 1    9   27    0 o   36.904   14.910   8.0280   21.249   8.0280   21.249   0.0000   0.0000   36.904   14.910  ?   ?  0.000000 14.90971 
1 1 1    9   27    1 o   56.841   16.301   42.502   24.337   39.244   27.110   56.030   55.242   55.411   17.507   69.223   24.969 -13.81166 30.49507 
1 1 1    9   27    2 o   95.637   14.850  119.351   34.314  131.121   41.041   92.008   62.551   99.702   17.099   83.098   26.629 16.60379 31.64668 
1 1 1    9   27    3 o   54.842   16.379   39.093   24.147   51.917   27.271  -7.4526   51.956   62.545   17.011   49.946   21.863 12.59911 27.70144 
1 1 1    9   27    4 o   46.921   15.553   26.884   21.246   29.576   23.693   15.839   47.997   49.256   16.429   54.120   22.203 -4.863338 27.62087 
1 1 1    9   27    5 o  194.032   21.486  495.790  102.361   0.0000   0.0000  495.790  102.361  ?   ?   194.032   21.486 0.000000 21.48634 
1 1 1    9   27    6 o  105.393   13.484  143.189   34.674  137.634   42.066  154.962   61.241  102.360   17.057  106.787   23.594 -4.427132 29.11394 
1 1 1    9   27    7 o  126.258   13.019  204.116   40.459  199.356   50.737  212.428   67.050  123.734   16.859  126.072   22.103 -2.337540 27.79917 
1 1 1    9   27    8 o  155.649   13.417  309.438   51.640  330.245   67.127  279.272   80.826  159.755   17.092  144.635   23.160 15.11975 28.78359 
1 1 1    9   27    9 o   64.534   16.836   55.212   27.418   55.212   27.418   0.0000   0.0000   64.534   16.836  ?   ?  0.000000 16.83640 
1 1 1    9   27   10 o  164.297   14.601  345.625   59.282  455.210   78.769  202.476   90.028  187.969   16.964  120.611   30.012 67.35828 34.47428 
1 1 1    9   27   11 o  159.663   14.333  326.141   56.537  421.220   74.996  200.964   86.051  180.859   16.797  120.539   28.951 60.31985 33.47103 
1 1 1    9   27   12 o  275.751   16.625  973.918  113.946  1119.51  157.458  813.849  165.103  293.211   21.658  246.777   27.246 46.43442 34.80531 
1 1 1    9   27   13 o  243.409   15.453  756.673   93.441  849.871  127.987  650.295  136.738  256.060   20.179  221.496   25.168 34.56447 32.25907 
1 1 1    9   27   14 o  130.707   22.134  226.870   69.665   0.0000   0.0000  226.870   69.665  ?   ?   130.707   22.134 0.000000 22.13352 
1 1 1    9   27   15 o  130.004   13.529  216.219   43.279  250.516   55.483  162.918   69.166  139.346   16.250  109.406   25.746 29.94019 30.44482 
1 1 1    9   27   16 o   73.539   13.662   70.600   24.165   57.110   27.347  118.671   51.623   65.687   16.650   93.918   22.337 -28.23168 27.85932 
1 1 1    9   27   17 o  157.025   11.153  312.280   43.450  301.915   63.268  321.533   59.777  153.004   16.838  158.376   15.305 -5.372620 22.75409 
1 1 1    9   27   18 o  110.871   15.828  159.322   42.578  159.322   42.578   0.0000   0.0000  110.871   15.828  ?   ?  0.000000 15.82788 
1 1 1    9   27   19 o  217.284   12.402  598.104   67.014  681.208  107.620  545.475   85.643  229.820   18.920  206.227   16.776 23.59230 25.28645 
1 1 1    9   27   20 o   62.464   13.677   51.268   20.743   58.742   24.850   34.090   37.672   66.726   15.247   56.440   20.579 10.28572 25.61177 
1 1 1    9   27   21 o  119.075   10.099  179.611   29.748  139.590   40.507  226.463   43.828  103.579   16.191  133.166   13.360 -29.58674 20.99116 
1 1 1    9   27   22 o  120.696   22.472  193.993   65.238   0.0000   0.0000  193.993   65.238  ?   ?   120.696   22.472 0.000000 22.47207 
1 1 1    9   27   23 o   45.173   10.909   26.722   12.167   29.047   13.376   15.577   29.282   47.080   11.481   45.165   17.746 1.915333 21.13610 
1 1 1    9   27   24 o  147.626   8.2710  274.307   30.368  267.866   39.977  283.097   46.697  145.411   11.093  149.196   12.653 -3.785645 16.82719 
1 1 1    9   27   25 o  153.220   10.439  296.779   39.703  335.934   64.897  273.358   50.192  161.706   16.293  146.308   13.905 15.39729 21.42002 
1 1 1    9   27   26 o  210.149   8.8306  554.551   46.341  568.984   63.925  538.565   67.276  212.001   12.125  205.988   13.147 6.013153 17.88507 
1 1 1    9   27   27 o  100.458   19.786  133.816   47.869   0.0000   0.0000  133.816   47.869  ?   ?   100.458   19.786 0.000000 19.78573 
1 1 1    9   28    0 o  155.128   14.963  311.276   57.244  393.410   73.557  185.137   91.156  173.646   17.189  113.200   31.230 60.44592 35.64809 
1 1 1    9   28    1 o   40.541   15.554   14.688   22.084   40.220   24.094 -119.4840   55.233   55.383   16.317   34.873   17.243 20.50990 23.73938 
1 1 1    9   28    2 o   65.519   17.835   57.358   29.962   57.358   29.962   0.0000   0.0000   65.519   17.835  ?   ?  0.000000 17.83456 
1 1 1    9   28    3 o   92.985   14.754  113.033   33.116  112.200   38.917  115.219   63.046   91.843   17.609   91.369   26.245 0.4737701 31.60538 
1 1 1    9   28    4 o  207.094   14.987  550.890   76.980  633.062  102.994  446.886  115.872  220.315   18.904  181.149   26.390 39.16647 32.46212 
1 1 1    9   28    5 o   32.811   13.444   4.9286   17.567   6.3563   18.804  -4.8666   49.253   34.428   13.985   49.176   21.413 -14.74832 25.57512 
1 1 1    9   28    6 o   53.392   22.103   13.230   48.126   0.0000   0.0000   13.230   48.126  ?   ?    53.392   22.103 0.000000 22.10258 
1 1 1    9   28    7 o   61.723   15.982   50.559   24.828   59.667   28.346   20.543   51.459   66.923   16.945   56.941   23.133 9.981647 28.67479 
1 1 1    9   28    8 o  113.680   13.696  166.476   38.098  178.911   46.940  142.470   65.219  117.132   16.506  101.756   25.669 15.37599 30.51743 
1 1 1    9   28    9 o  171.944   13.485  377.585   57.437  383.318   74.643  369.263   89.933  171.915   17.637  166.958   22.115 4.957687 28.28642 
1 1 1    9   28   10 o  139.571   13.763  249.694   47.345  278.608   59.830  201.259   77.436  146.670   16.629  121.106   26.354 25.56425 31.16191 
1 1 1    9   28   11 o  198.279   18.508  509.860   90.581  509.860   90.581   0.0000   0.0000  198.279   18.508  ?   ?  0.000000 18.50792 
1 1 1    9   28   12 o  165.972   14.320  352.573   58.771  433.262   77.539  243.639   90.095  183.193   17.149  133.039   28.005 50.15385 32.83835 
1 1 1    9   28   13 o  142.451   14.581  260.535   51.138  360.015   66.946  121.173   79.238  167.184   16.240   94.804   29.928 72.37970 34.05085 
1 1 1    9   28   14 o  250.240   13.227  795.560   82.361  937.576  131.765  704.495  105.513  268.964   19.756  233.620   18.230 35.34311 26.88226 
1 1 1    9   28   15 o   86.833   24.996  101.598   57.130   0.0000   0.0000  101.598   57.130  ?   ?    86.833   24.996 0.000000 24.99576 
1 1 1    9   28   16 o  135.503   12.685  234.232   42.424  310.746   60.929  162.231   59.105  155.385   15.927  109.964   22.287 45.42107 27.39334 
1 1 1    9   28   17 o  240.260   20.088  748.976  119.415  748.976  119.415   0.0000   0.0000  240.260   20.088  ?   ?  0.000000 20.08767 
1 1 1    9   28   18 o  273.119   14.207  948.865   96.560  1159.31  159.427  826.942  121.349  298.527   21.530  252.906   19.361 45.62099 28.95545 
1 1 1    9   28   19 o   79.449   11.774   81.346   22.653   53.712   26.734  151.719   42.662   63.727   16.625  107.963   16.334 -44.23599 23.30639 
1 1 1    9   28   20 o  128.162   11.627  208.907   36.807  236.375   52.819  182.977   51.319  135.375   15.929  118.343   17.927 17.03148 23.98130 
1 1 1    9   28   21 o  194.739   11.029  479.481   53.412  454.792   83.282  496.731   69.613  187.704   17.988  197.421   14.216 -9.716675 22.92692 
1 1 1    9   28   22 o   48.912   13.334   31.261   16.734   29.258   19.264   37.420   33.780   47.951   14.697   56.525   19.601 -8.574677 24.49907 
1 1 1    9   28   23 o  150.971   21.714  300.232   79.507   0.0000   0.0000  300.232   79.507  ?   ?   150.971   21.714 0.000000 21.71418 
1 1 1    9   28   24 o  121.981   9.1944  188.035   27.801  232.453   36.053  122.886   43.664  135.426   10.749   96.347   18.823 39.07938 21.67624 
1 1 1    9   28   25 o  203.352   9.4185  519.870   47.828  547.585   65.577  488.374   69.909  207.748   12.702  195.698   14.406 12.04976 19.20610 
1 1 1    9   28   26 o  101.989   11.693  132.921   29.242  171.687   41.178   93.485   41.533  115.432   14.613   83.599   20.135 31.83259 24.87833 
1 1 1    9   28   27 o   51.497   10.912   34.669   13.596   42.272   16.322   17.433   24.575   56.834   11.883   43.433   16.468 13.40094 20.30759 
1 1 1    9   29    0 o  153.110   15.985  305.879   60.216  443.759   77.407   94.558   95.830  184.200   17.021   86.988   32.621 97.21222 36.79466 
1 1 1    9   29    1 o   84.568   16.262   95.211   33.095  107.651   38.055   56.603   67.041   89.638   17.629   71.688   27.196 17.94990 32.40948 
1 1 1    9   29    2 o  223.030   16.254  644.783   89.906  813.556  121.066  437.267  134.244  248.614   19.661  174.396   32.005 74.21742 37.56144 
1 1 1    9   29    3 o  196.938   18.888  509.132   91.751  509.132   91.751   0.0000   0.0000  196.938   18.888  ?   ?  0.000000 18.88822 
1 1 1    9   29    4 o  239.681   16.852  744.317  100.222  975.935  136.651  474.714  147.431  272.498   20.226  181.328   33.803 91.16998 39.39189 
1 1 1    9   29    5 o  131.807   14.402  224.431   46.633  267.730   58.452  148.617   77.346  143.339   16.640  102.676   28.928 40.66230 33.37256 
1 1 1    9   29    6 o  213.079   15.057  583.632   79.602  663.086  106.743  484.087  119.479  225.249   19.159  188.642   26.059 36.60649 32.34396 
1 1 1    9   29    7 o   74.033   16.304   72.968   29.327   92.886   33.926   14.079   58.334   83.607   16.832   57.874   24.177 25.73393 29.45873 
1 1 1    9   29    8 o  121.134   24.131  200.031   70.432   0.0000   0.0000  200.031   70.432  ?   ?   121.134   24.131 0.000000 24.13129 
1 1 1    9   29    9 o  173.190   14.998  385.679   64.224  515.938   85.488  216.903   97.310  199.589   17.324  123.487   31.466 76.10229 35.91966 
1 1 1    9   29   10 f  218.573   15.545  613.566   84.293  751.555  114.264  448.811  124.854  240.325   19.200  180.755   28.613 59.56990 34.45818 
1 1 1    9   29   11 f  433.866   17.325  2418.47  187.712  2703.37  314.531  2260.85  233.941  447.656   28.282  414.830   22.669 32.82565 36.24557 
1 1 1    9   29   12 o  143.685   15.404  266.348   54.410  303.581   63.236  160.187  106.779  153.049   16.823  107.306   34.834 45.74318 38.68379 
1 1 1    9   29   13 o  232.989   13.331  691.083   77.242  847.146  121.824  586.167   99.886  255.480   19.236  212.366   19.037 43.11414 27.06398 
1 1 1    9   29   14 o  171.758   12.053  374.973   51.371  404.999   74.942  348.359   70.556  176.976   17.174  163.909   17.509 13.06694 24.52525 
1 1 1    9   29   15 o   59.646   22.219   36.911   44.314   0.0000   0.0000   36.911   44.314  ?   ?    59.646   22.219 0.000000 22.21913 
1 1 1    9   29   17 o   30.680   12.348   5.4920   14.516   13.178   15.486 -50.1387   41.663   35.939   13.181   35.936   17.077 0.2819061E-02 21.57245 
1 1 1    9   29   18 f  203.538   13.709  527.862   69.272  767.969  110.587  372.810   88.867  243.899   18.290  168.230   21.657 75.66962 28.34670 
1 1 1    9   29   19 f  186.923   10.980  442.202   51.026  409.052   77.020  468.133   68.120  177.886   17.568  191.452   14.353 -13.56607 22.68565 
1 1 1    9   29   20 o   41.589   13.620   21.108   16.310   21.715   17.993   18.314   38.622   42.632   14.317   50.780   20.244 -8.147987 24.79549 
1 1 1    9   29   21 o  108.478   10.764  149.765   28.774  120.339   37.787  190.375   44.391   95.850   16.375  121.488   14.947 -25.63824 22.17130 
1 1 1    9   29   22 o   31.660   12.063   8.8460   13.226  -2.5155   14.348   73.116   34.124   26.549   11.559   74.054   18.505 -47.50481 21.81840 
1 1 1    9   29   23 o  218.462   11.959  604.721   64.992  655.330  106.047  574.278   82.248  224.994   19.054  211.768   15.664 13.22566 24.66591 
1 1 1    9   29   24 o  146.448   22.791  285.028   80.639   0.0000   0.0000  285.028   80.639  ?   ?   146.448   22.791 0.000000 22.79138 
1 1 1    9   29   25 o  164.146   9.5839  340.134   39.114  446.868   52.826  210.602   58.194  187.848   11.314  126.712   18.975 61.13646 22.09219 
1 1 1    9   29   26 o   58.413   10.818   44.363   15.199   46.702   18.670   39.767   26.173   59.621   12.914   55.692   17.141 3.929817 21.46088 
1 1 1    9   29   27 o  107.973   11.959  149.077   31.703  150.426   43.808  147.593   45.938  107.247   16.918  105.907   18.015 1.339989 24.71382 
1 1 1    9   29   28 o  297.662   11.185  1118.46   83.144  1167.46  116.007  1066.71  119.225  302.266   15.420  288.359   16.628 13.90778 22.67727 
1 1 1    9   30    0 o   85.420   28.691  101.761   72.260   0.0000   0.0000  101.761   72.260  ?   ?    85.420   28.691 0.000000 28.69140 
1 1 1    9   30    1 o   97.562   16.432  126.622   38.611  149.990   45.647   67.853   72.389  105.818   17.913   75.518   28.346 30.30067 33.53165 
1 1 1    9   30    2 o   73.747   27.196   65.350   66.057   0.0000   0.0000   65.350   66.057  ?   ?    73.747   27.196 0.000000 27.19572 
1 1 1    9   30    3 o   50.759   22.596 -14.2740   57.750   0.0000   0.0000 -14.2740   57.750  ?   ?    50.759   22.596 0.000000 22.59645 
1 1 1    9   30    5 o  251.008   17.376  820.000  108.246  1094.30  148.151  505.864  158.544  287.711   20.760  185.130   35.587 102.5810 41.19955 
1 1 1    9   30    6 o  117.703   15.310  180.602   43.934  241.957   53.997   60.419   75.572  136.188   16.195   75.043   28.777 61.14505 33.02080 
1 1 1    9   30    7 o  154.476   13.738  306.785   52.442  402.833   73.048  204.630   75.334  175.991   16.826  121.477   25.639 54.51379 30.66767 
1 1 1    9   30    8 o  119.872   14.233  185.934   41.773  261.920   55.275   84.736   63.789  142.009   15.858   80.403   26.957 61.60555 31.27563 
1 1 1    9   30    9 o  135.932   19.936  245.209   65.660   0.0000   0.0000  245.209   65.660  ?   ?   135.932   19.936 0.000000 19.93556 
1 1 1    9   30   10 o   86.985   15.410   99.556   32.248  146.733   40.013   12.117   54.473  105.987   15.583   55.747   23.332 50.24031 28.05731 
1 1 1    9   30   11 o  181.073   13.363  419.214   59.995  548.758   88.692  309.929   81.461  205.710   17.429  152.371   22.050 53.33914 28.10685 
1 1 1    9   30   12 o   63.056   15.417   52.833   24.073   58.508   27.747   35.560   48.406   66.242   16.761   60.373   23.059 5.868786 28.50712 
1 1 1    9   30   13 o  215.219   15.374  594.904   82.082  604.272  102.062  577.750  138.115  215.272   19.187  205.981   27.541 9.290573 33.56524 
1 1 1    9   30   14 f  150.433   17.098  294.103   63.090   0.0000   0.0000  294.103   63.090  ?   ?   150.433   17.098 0.000000 17.09838 
1 1 1    9   30   15 o  206.042   15.473  545.220   79.033  583.219   98.741  477.474  131.842  211.740   18.872  186.239   29.318 25.50089 34.86675 
1 1 1    9   30   16 f   50.282   14.861   32.758   19.959   37.462   22.250   13.385   45.157   53.613   15.647   52.138   21.480 1.475304 26.57531 
1 1 1    9   30   17 o   89.477   15.709  105.081   33.820  143.391   39.762   4.8640   64.311  104.890   15.660   58.349   24.925 46.54055 29.43605 
1 1 1    9   30   18 o  120.385   13.512  186.206   39.919  262.946   55.392  103.282   57.580  142.655   15.815   87.251   25.088 55.40439 29.65667 
1 1 1    9   30   19 o   68.962   14.349   62.661   23.907   69.600   28.397   45.775   44.300   72.436   16.115   62.931   22.397 9.504700 27.59139 
1 1 1    9   30   20 o  233.892   13.175  695.967   76.637  827.383  123.903  614.537   97.532  252.234   19.831  217.938   18.084 34.29570 26.83869 
1 1 1    9   30   21 o   55.530   14.011   40.690   19.429   32.546   22.230   67.036   39.983   50.631   15.833   71.182   21.033 -20.55123 26.32604 
1 1 1    9   30   22 o  195.913   12.112  487.371   58.967  551.026   93.117  444.755   76.190  206.248   18.269  185.747   16.601 20.50085 24.68456 
1 1 1    9   30   23 o   88.748   11.766  101.242   25.434   82.386   33.305  127.622   39.394   78.693   17.410   98.637   16.582 -19.94392 24.04275 
1 1 1    9   30   24 o  184.186   11.928  430.756   54.569  534.299   88.022  366.118   69.546  203.370   17.503  168.339   16.767 35.03188 24.23791 
1 1 1    9   30   25 o  128.226   24.892  223.166   76.830   0.0000   0.0000  223.166   76.830  ?   ?   128.226   24.892 0.000000 24.89168 
1 1 1    9   30   26 o  115.171   9.6048  168.164   27.372  237.485   35.670   68.879   42.688  136.821   10.520   72.233   21.823 64.58752 24.22675 
1 1 1    9   30   27 o  207.881   9.9692  544.671   51.752  617.619   70.729  460.616   75.923  220.307   12.913  189.070   16.238 31.23753 20.74639 
1 1 1    9   30   28 o   63.038   11.253   51.695   17.064   53.165   19.256   46.323   36.822   63.693   12.553   61.134   20.481 2.559315 24.02225 
1 1 1    9   30   29 o  181.846   13.463  422.750   60.704   0.0000   0.0000  422.750   60.704  ?   ?   181.846   13.463 0.000000 13.46344 
1 1 1    9   31    0 o   56.202   17.396   42.070   26.916   63.180   29.709 -54.6034   63.578   67.865   17.437   45.833   21.574 22.03224 27.73952 
1 1 1    9   31    1 o   68.577   26.938   49.686   67.451   0.0000   0.0000   49.686   67.451  ?   ?    68.577   26.938 0.000000 26.93799 
1 1 1    9   31    2 o  167.848   14.755  367.186   61.218  511.949   84.869  210.161   88.390  196.829   17.447  118.971   29.812 77.85779 34.54219 
1 1 1    9   31    3 o  138.243   15.025  249.733   51.033  359.409   67.526  103.664   77.928  165.373   16.575   86.482   29.784 78.89052 34.08548 
1 1 1    9   31    4 o  112.717   15.565  167.123   42.641  249.434   54.239   33.923   68.998  137.875   16.054   65.691   26.748 72.18442 31.19594 
1 1 1    9   31    5 o  178.497   14.242  411.717   62.955  548.639   89.041  274.857   89.021  204.474   17.610  139.798   26.469 64.67606 31.79207 
1 1 1    9   31    6 o  288.715   16.687  1083.68  119.798  949.032  146.852  1351.54  207.128  266.017   22.313  313.196   26.740 -47.17825 34.82613 
1 1 1    9   31    7 o  129.022   14.160  215.678   44.874  278.732   59.118  129.964   68.927  145.982   16.507   95.875   27.413 50.10740 31.99913 
1 1 1    9   31    8 f   83.340   15.427   91.949   30.924  113.156   36.766   40.664   57.175   92.335   16.553   64.403   24.941 27.93201 29.93407 
1 1 1    9   31    9 o  129.966   12.771  217.080   40.912  222.914   53.038  208.509   64.287  130.453   16.662  124.239   21.500 6.214012 27.20000 
1 1 1    9   31   10 o  154.337   23.656  323.048   88.264   0.0000   0.0000  323.048   88.264  ?   ?   154.337   23.656 0.000000 23.65555 
1 1 1    9   31   11 o  149.906   13.584  288.813   50.298  383.340   70.316  189.769   71.976  171.753   16.602  117.020   25.363 54.73299 30.31312 
1 1 1    9   31   12 o  217.517   13.575  605.349   73.369  757.469  112.548  492.928   96.754  240.818   18.866  193.267   20.353 47.55087 27.75245 
1 1 1    9   31   13 o  167.393   17.703  365.630   72.876   0.0000   0.0000  365.630   72.876  ?   ?   167.393   17.703 0.000000 17.70267 
1 1 1    9   31   14 o  223.359   16.078  643.477   89.077  687.556  111.691  566.442  147.655  229.118   19.713  201.608   30.263 27.51022 36.11718 
1 1 1    9   31   15 o  146.852   14.300  277.570   51.775  431.677   74.696  135.067   71.829  182.595   16.562   98.449   27.927 84.14616 32.46867 
1 1 1    9   31   16 o  189.605   13.507  459.651   63.537  622.113   97.234  338.592   83.934  218.878   17.948  159.569   21.621 59.30916 28.09935 
1 1 1    9   31   17 o  156.572   13.230  313.727   51.245  419.861   75.185  221.648   70.031  180.001   16.925  128.236   22.700 51.76491 28.31511 
1 1 1    9   31   18 o  101.165   14.153  132.756   34.775  184.052   45.358   59.609   54.164  118.990   15.644   70.307   24.792 48.68385 29.31533 
1 1 1    9   31   19 o  116.897   19.205  181.048   54.114   0.0000   0.0000  181.048   54.114  ?   ?   116.897   19.205 0.000000 19.20494 
1 1 1    9   31   20 o  174.316   13.201  388.103   57.039  544.883   88.444  276.462   74.634  205.129   17.431  144.198   21.374 60.93155 27.58027 
1 1 1    9   31   21 o  128.166   11.563  209.449   36.608  202.970   50.405  216.682   53.256  124.799   16.584  128.892   16.958 -4.092674 23.71941 
1 1 1    9   31   22 o  299.375   15.261  1147.74  113.714  1491.16  191.003  959.183  141.530  336.275   22.882  270.516   21.118 65.75906 31.13763 
1 1 1    9   31   23 f  112.784   13.901  164.171   38.322  207.371   48.821   94.832   61.852  126.398   15.813   84.139   26.425 42.25925 30.79551 
1 1 1    9   31   24 o  109.443   12.819  153.987   34.370  268.014   51.369   61.563   46.248  144.327   14.447   69.491   22.943 74.83545 27.11245 
1 1 1    9   31   25 o  217.485   12.211  601.383   66.050  708.722  109.014  539.123   83.025  233.357   18.869  204.396   16.404 28.96024 25.00262 
1 1 1    9   31   26 o   79.297   27.425   79.610   66.105   0.0000   0.0000   79.610   66.105  ?   ?    79.297   27.425 0.000000 27.42487 
1 1 1    9   31   27 o  117.527   9.2677  175.115   26.979  179.777   34.568  167.849   43.152  118.537   11.836  113.475   15.644 5.061928 19.61748 
1 1 1    9   31   28 o  164.224   9.1968  340.984   37.564  340.751   49.233  341.308   58.111  163.416   12.152  162.837   14.441 0.5789337 18.87296 
1 1 1    9   31   29 o  116.469   9.4860  172.281   27.350  201.493   34.272  121.052   45.385  125.665   11.033   94.676   19.832 30.98999 22.69424 
1 1 1    9   32    0 o   54.743   16.780   40.596   25.111   31.502   26.866  103.445   70.628   50.141   17.476   82.834   28.363 -32.69314 33.31435 
1 1 1    9   32    1 o  145.495   14.256  278.956   51.132  298.131   63.863  244.713   85.344  148.514   17.560  127.535   27.599 20.97888 32.71124 
1 1 1    9   32    2 o  115.483   15.846  178.013   44.493  230.308   53.721   63.781   79.397  131.095   16.796   73.948   29.169 57.14761 33.65932 
1 1 1    9   32    3 o   34.645   17.203 -127.8208   57.204   0.0000   0.0000 -127.8208   57.204  ?   ?    34.645   17.203 0.000000 17.20286 
1 1 1    9   32    4 o  102.085   15.430  138.339   38.107  171.536   45.833   64.011   68.582  113.358   16.691   72.819   27.535 40.53926 32.19833 
1 1 1    9   32    5 o  200.196   14.663  521.197   72.794  715.882  106.112  348.124  100.049  232.197   18.452  156.399   26.567 75.79845 32.34682 
1 1 1    9   32    6 o   89.350   15.649  106.271   33.645  138.074   40.253   32.537   61.290  101.867   16.379   62.712   25.327 39.15504 30.16142 
1 1 1    9   32    7 o  196.781   16.069  505.533   78.271  493.468   89.629  544.295  160.651  192.846   18.853  189.961   35.161 2.884979 39.89669 
1 1 1    9   32    8 o  122.406   14.224  194.959   42.667  240.186   54.421  122.813   68.734  135.160   16.464   92.873   27.610 42.28724 32.14596 
1 1 1    9   32    9 o  119.440   14.424  185.737   42.150  244.110   54.276   97.049   66.902  136.456   16.248   84.118   27.586 52.33741 32.01508 
1 1 1    9   32   10 o  210.066   13.350  566.428   69.666  641.156  103.031  503.485   94.558  220.627   18.883  194.895   19.699 25.73157 27.28762 
1 1 1    9   32   11 o  159.280   23.870  346.161   92.020   0.0000   0.0000  346.161   92.020  ?   ?   159.280   23.870 0.000000 23.87030 
1 1 1    9   32   12 o  123.591   21.424  206.648   63.724   0.0000   0.0000  206.648   63.724  ?   ?   123.591   21.424 0.000000 21.42391 
1 1 1    9   32   13 o  162.731   13.962  340.970   56.188  467.485   80.186  218.928   78.756  189.367   17.143  125.321   26.017 64.04572 31.15692 
1 1 1    9   32   14 o   35.638   13.800   10.650   17.502   16.872   18.663 -34.7549   50.415   39.826   14.490   43.358   20.001 -3.532581 24.69842 
1 1 1    9   32   15 o  124.600   13.476  200.190   41.263  247.511   54.698  137.695   62.860  137.795   16.205   99.441   25.263 38.35394 30.01419 
1 1 1    9   32   16 o  168.572   15.073  366.899   62.780  401.132   75.932  292.944  111.607  175.309   17.582  142.503   32.130 32.80675 36.62610 
1 1 1    9   32   17 o  235.849   14.140  712.912   82.892  958.137  132.511  555.263  106.246  270.360   19.764  204.782   21.077 65.57745 28.89423 
1 1 1    9   32   18 o  115.239   12.900  170.931   36.487  188.588   47.714  146.065   56.622  120.088   16.335  103.407   22.562 16.68178 27.85427 
1 1 1    9   32   19 o  164.828   12.511  347.088   51.113  403.691   74.916  297.793   69.912  176.116   17.256  150.341   19.049 25.77431 25.70295 
1 1 1    9   32   20 o   72.727   27.133   59.207   66.130   0.0000   0.0000   59.207   66.130  ?   ?    72.727   27.133 0.000000 27.13282 
1 1 1    9   32   21 o  146.896   12.688  276.211   46.087  345.833   67.060  213.892   63.445  163.125   16.698  126.425   20.821 36.69989 26.68957 
1 1 1    9   32   22 o   99.947   14.054  129.805   34.107  205.359   47.129   46.720   49.422  125.742   15.326   64.379   23.556 61.36372 28.10318 
1 1 1    9   32   23 o   47.048   15.205   27.677   20.361   33.288   24.237   14.222   37.534   51.404   16.587   48.571   19.747 2.833538 25.78895 
1 1 1    9   32   24 o  104.442   13.484  141.191   34.346  161.647   44.870  112.245   53.375  110.896   16.723   90.328   23.455 20.56714 28.80579 
1 1 1    9   32   25 o  124.082   11.965  197.187   36.616  262.217   56.003  148.631   48.393  141.948   16.083  105.434   19.083 36.51461 24.95614 
1 1 1    9   32   26 o  127.829   11.468  208.857   36.219  278.828   56.622  160.401   47.119  146.492   15.724  110.026   17.754 36.46610 23.71596 
1 1 1    9   32   27 o  202.450   23.682  553.628  117.464   0.0000   0.0000  553.628  117.464  ?   ?   202.450   23.682 0.000000 23.68212 
1 1 1    9   32   28 o  180.962   10.432  416.094   46.941  550.361   63.158  250.394   70.162  207.556   12.240  136.231   21.324 71.32526 24.58661 
1 1 1    9   32   29 o  111.557   12.305  160.468   33.708  185.163   48.283  136.988   47.080  118.429   16.797  100.633   19.438 17.79610 25.69022 
1 1 1    9   32   30 o  189.611   9.7526  456.394   46.022  493.417   61.255  408.410   69.735  196.124   12.573  176.903   15.958 19.22116 20.31591 
1 1 1    9   33    0 o   78.661   17.773   88.067   34.088   86.727   34.799  119.849  169.486   77.826   18.226   86.697   38.644 -8.870270 42.72670 
1 1 1    9   33    1 o  149.839   14.330  299.780   52.964  314.108   66.507  274.941   87.569  150.663   18.035  132.934   27.294 17.72972 32.71416 
1 1 1    9   33    2 o   36.855   14.534   11.372   19.709   3.7598   20.683   86.536   64.991   34.042   14.319   76.708   27.146 -42.66647 30.69082 
1 1 1    9   33    3 o   63.154   16.848   55.209   27.061   48.995   29.405   89.589   69.162   59.704   18.129   78.554   27.981 -18.84969 33.34094 
1 1 1    9   33    4 o  111.075   31.344  196.101   90.729   0.0000   0.0000  196.101   90.729  ?   ?   111.075   31.344 0.000000 31.34415 
1 1 1    9   33    5 o   89.651   16.077  108.564   34.671  129.316   39.950   45.236   69.789   97.633   17.004   67.210   27.067 30.42219 31.96497 
1 1 1    9   33    6 o   71.947   16.449   70.565   28.910   76.738   32.749   48.767   61.536   74.686   17.810   66.494   25.840 8.192398 31.38283 
1 1 1    9   33    7 o   74.226   16.541   74.869   29.877   91.884   34.339   21.867   60.607   82.152   17.286   59.243   24.687 22.90853 30.13729 
1 1 1    9   33    8 o   86.283   17.079  100.705   35.497   99.045   36.753  123.752  136.923   85.293   17.830   95.854   38.148 -10.56113 42.10891 
1 1 1    9   33    9 o  195.952   15.571  501.719   75.566  786.741  112.536  267.686  101.975  243.393   18.657  133.813   31.107 109.5799 36.27349 
1 1 1    9   33   10 o  133.548   14.406  232.502   47.284  307.431   62.417  131.590   72.435  152.768   16.630   95.292   28.346 57.47643 32.86454 
1 1 1    9   33   11 o  248.083   14.643  796.449   90.314  998.919  140.430  653.637  117.940  273.261   20.734  220.043   21.748 53.21796 30.04794 
1 1 1    9   33   12 o  159.368   15.219  330.748   59.832  520.670   84.619  140.863   84.611  199.215   17.178   98.452   30.905 100.7625 35.35791 
1 1 1    9   33   13 o   80.739   28.556   85.304   71.910   0.0000   0.0000   85.304   71.910  ?   ?    80.739   28.556 0.000000 28.55597 
1 1 1    9   33   14 o  137.831   13.674  245.644   46.442  310.347   63.049  168.894   68.668  153.870   16.676  109.424   25.587 44.44655 30.54151 
1 1 1    9   33   15 o  115.698   14.190  174.107   40.137  238.313   52.805   86.249   61.770  134.957   15.979   80.042   26.519 54.91506 30.96098 
1 1 1    9   33   16 o  146.467   13.971  277.210   50.480  394.734   71.836  162.562   70.951  173.818   16.757  107.106   26.638 66.71189 31.47087 
1 1 1    9   33   17 o   76.836   16.519   79.091   30.753   87.761   33.040   22.873   84.129   80.925   16.895   68.297   28.812 12.62840 33.40017 
1 1 1    9   33   18 o  286.185   15.647  1058.42  111.400  1515.29  184.412  795.909  139.787  337.177   22.023  243.045   23.318 94.13162 32.07394 
1 1 1    9   33   19 o   97.522   14.361  124.318   33.927  163.059   43.291   62.654   54.618  111.404   16.022   70.878   24.905 40.52627 29.61365 
1 1 1    9   33   20 o   63.592   16.045   54.158   25.479   71.634   29.918   8.0181   48.613   73.042   16.758   51.796   21.879 21.24588 27.55956 
1 1 1    9   33   21 o   53.853   23.987 -15.6500   65.176   0.0000   0.0000 -15.6500   65.176  ?   ?    53.853   23.987 0.000000 23.98736 
1 1 1    9   33   22 o  111.092   13.616  160.014   36.981  234.486   51.785   82.508   52.829  134.036   15.773   78.032   24.408 56.00386 29.06136 
1 1 1    9   33   23 o  116.616   12.380  175.081   35.500  196.449   50.402  154.044   50.011  122.076   16.995  106.982   19.436 15.09386 25.81780 
1 1 1    9   33   24 o  113.388   13.120  166.303   36.464  298.695   54.403   58.307   49.135  151.874   14.521   68.128   23.640 83.74601 27.74346 
1 1 1    9   33   25 o  179.635   13.344  415.024   59.430  451.345   82.410  375.666   85.786  185.197   18.049  167.316   20.994 17.88060 27.68599 
1 1 1    9   33   26 o  113.683   12.177  166.579   34.031  258.169   52.534  100.354   44.671  140.726   15.190   85.342   21.084 55.38419 25.98609 
1 1 1    9   33   27 o  103.358   12.781  138.575   32.286  200.497   49.343   92.215   42.695  123.282   16.437   81.772   20.846 41.50975 26.54671 
1 1 1    9   33   28 o  188.015   12.550  454.206   58.586  565.142   68.144  139.850  114.710  209.556   13.087   98.674   35.921 110.8824 38.23044 
1 1 1    9   33   29 o  146.843   9.4984  274.351   34.644  281.166   43.982  263.211   56.233  147.846   12.017  141.332   16.227 6.513931 20.19215 
1 1 1    9   33   30 o  214.978   15.047  602.537   80.271  707.988  109.708  481.040  117.759  230.088   19.271  184.198   26.352 45.88928 32.64695 
1 1 1    9   33   31 o  184.258   14.552  443.022   66.412   0.0000   0.0000  443.022   66.412  ?   ?   184.258   14.552 0.000000 14.55194 
1 1 1    9   34    0 o   42.914   15.809   22.278   22.313   21.960   23.492   25.209   71.318   43.164   16.158   58.277   25.560 -15.11305 30.23929 
1 1 1    9   34    1 o  106.649   18.114  162.997   46.515  181.486   48.454 -54.2011  166.074  112.896   17.775   67.267   32.517 45.62943 37.05767 
1 1 1    9   34    2 o  101.628   14.484  140.693   35.719  117.852   40.648  218.102   74.832   90.493   18.609  117.100   26.241 -26.60666 32.16942 
1 1 1    9   34    3 o   53.898   16.662   40.073   24.700   38.867   26.665   47.360   65.544   53.412   17.411   64.188   26.095 -10.77663 31.37054 
1 1 1    9   34    4 o   29.821   12.945  -1.2113   17.890   1.3367   18.632 -31.3085   64.034   31.450   13.425   48.249   22.357 -16.79885 26.07763 
1 1 1    9   34    5 o  150.182   14.863  301.155   55.007  303.501   66.389  296.020   98.246  148.375   18.306  136.722   29.631 11.65312 34.82952 
1 1 1    9   34    6 o   86.159   15.588  100.932   32.303   82.605   36.275  171.144   71.001   76.439   19.067  105.812   26.832 -29.37295 32.91687 
1 1 1    9   34    7 o  162.781   14.903  350.841   59.909  448.739   80.667  230.429   89.462  181.978   17.986  121.604   29.713 60.37469 34.73326 
1 1 1    9   34    8 o  131.002   15.356  228.141   49.283  335.805   64.990   82.455   75.599  158.415   16.679   77.849   29.017 80.56561 33.46917 
1 1 1    9   34    9 o  164.925   15.157  358.636   61.727  546.390   87.699  174.298   86.897  202.095   17.552  105.861   30.930 96.23436 35.56346 
1 1 1    9   34   10 o   94.501   16.940  120.863   38.509  124.432   40.551   88.093  122.879   95.632   17.630   86.319   35.483 9.312149 39.62185 
1 1 1    9   34   11 o  179.010   14.416  418.319   63.898  568.923   92.223  279.264   88.617  206.478   18.068  138.968   26.503 67.50940 32.07589 
1 1 1    9   34   12 o  111.212   16.311  164.807   43.952  228.628   52.263   10.637   81.229  131.314   16.288   63.670   27.611 67.64391 32.05705 
1 1 1    9   34   13 o  171.332   13.312  380.022   56.507  447.676   79.874  312.237   79.951  183.676   17.631  150.736   21.879 32.93980 28.09888 
1 1 1    9   34   14 o  135.049   26.725  261.662   86.937   0.0000   0.0000  261.662   86.937  ?   ?   135.049   26.725 0.000000 26.72479 
1 1 1    9   34   15 o   91.522   14.699  110.743   32.457  125.216   39.421   80.286   57.186   96.631   16.955   76.757   25.520 19.87370 30.63925 
1 1 1    9   34   16 o  128.878   12.875  214.914   40.881  225.389   53.823  200.630   62.850  130.414   16.926  120.792   21.630 9.621765 27.46582 
1 1 1    9   34   17 o  171.089   13.727  378.695   58.155  512.453   86.013  266.057   78.931  197.049   17.668  138.439   23.683 58.60986 29.54700 
1 1 1    9   34   18 o  344.922   18.643  1570.93  159.979  1566.45  218.457  1576.11  234.928  335.636   26.274  333.780   28.457 1.856598 38.73159 
1 1 1    9   34   19 o  126.924   14.143  209.761   44.066  308.599   61.197  103.334   63.503  153.321   16.231   85.658   26.755 67.66298 31.29341 
1 1 1    9   34   20 o   73.901   15.102   72.977   26.928   69.082   31.925   82.581   50.128   71.257   17.950   77.369   23.707 -6.111946 29.73586 
1 1 1    9   34   21 o   73.883   16.050   73.432   28.765  108.423   35.736   9.0463   48.475   90.022   16.505   51.664   21.837 38.35737 27.37280 
1 1 1    9   34   22 o   55.923   24.672  -6.9600   67.340   0.0000   0.0000  -6.9600   67.340  ?   ?    55.923   24.672 0.000000 24.67170 
1 1 1    9   34   23 o  208.329   13.983  561.315   72.323  910.385  118.464  353.903   91.316  262.557   18.180  160.085   23.546 102.4724 29.74784 
1 1 1    9   34   24 o   61.368   16.401   50.821   25.616  100.741   34.715  -8.8510   37.955   86.566   16.664   41.591   18.427 44.97447 24.84393 
1 1 1    9   34   25 o  112.400   12.883  164.103   35.509  277.098   53.679   76.191   47.348  145.544   14.983   74.374   23.082 71.17010 27.51857 
1 1 1    9   34   26 o  141.003   13.112  257.707   45.641  282.069   63.742  232.074   65.382  145.351   17.942  130.230   20.805 15.12082 27.47293 
1 1 1    9   34   27 o  194.315   12.865  487.542   62.072  831.280  102.722  289.839   77.903  251.458   16.449  144.757   22.264 106.7011 27.68164 
1 1 1    9   34   28 o  192.641   12.612  479.161   60.336  627.845   97.780  387.738   76.674  216.899   18.222  170.088   18.342 46.81078 25.85459 
1 1 1    9   34   29 o  106.780   10.258  146.579   27.015  186.145   32.791   62.984   47.663  120.183   11.050   68.556   23.301 51.62625 25.78794 
1 1 1    9   34   30 o   43.266   12.777   24.607   14.758   28.886   15.918  -1.6004   39.392   46.599   13.121   43.928   19.138 2.671505 23.20417 
1 1 1    9   34   31 o   58.746   11.654   45.817   16.492   42.419   17.320   78.821   53.983   56.257   12.637   74.752   24.792 -18.49444 27.82753 
1 1 1    9   35    0 o   55.187   17.178   45.348   26.204   49.777   28.090   15.656   72.728   57.449   17.770   54.567   24.732 2.881992 30.45414 
1 1 1    9   35    1 o  131.201   14.655  240.352   47.195  232.846   56.796  257.095   84.830  125.150   18.751  118.902   28.861 6.248161 34.41721 
1 1 1    9   35    2 o   52.924   17.324   39.973   26.389   39.662   26.789   50.170  153.308   52.781   17.463   71.249   33.526 -18.46796 37.80168 
1 1 1    9   35    3 o   44.209   15.940   24.545   22.511   29.316   23.946 -11.7310   66.024   47.133   16.495   50.373   23.109 -3.240002 28.39157 
1 1 1    9   35    4 o   76.459   16.326   82.957   30.224   79.043   33.556   99.785   69.579   73.553   18.334   77.534   28.014 -3.980499 33.47985 
1 1 1    9   35    5 o  116.389   13.887  182.852   39.565  162.920   46.916  231.933   73.621  107.026   18.206  122.037   24.999 -15.01021 30.92564 
1 1 1    9   35    6 o   47.561   16.321   29.302   23.391   33.252   25.135   3.7654   63.902   50.095   16.921   53.851   23.881 -3.755692 29.26846 
1 1 1    9   35    7 o  146.675   23.920  320.098   84.592   0.0000   0.0000  320.098   84.592  ?   ?   146.675   23.920 0.000000 23.91978 
1 1 1    9   35    8 o   37.489   14.713   12.322   20.105   19.482   21.189 -52.3093   63.659   41.722   15.399   45.141   21.351 -3.418568 26.32520 
1 1 1    9   35    9 o   67.854   16.797   64.153   28.309   69.891   31.656   41.237   63.258   70.480   17.940   63.264   25.667 7.216747 31.31513 
1 1 1    9   35   10 o   55.417   16.625   41.839   24.837   53.802   27.549 -10.1005   57.403   62.272   17.164   49.836   22.332 12.43569 28.16559 
1 1 1    9   35   11 o   60.941   17.302   51.230   27.559   51.230   27.559   0.0000   0.0000   60.941   17.302  ?   ?  0.000000 17.30219 
1 1 1    9   35   12 o   75.695   16.388   78.561   30.081  104.364   35.121   7.5158   58.278   87.403   16.700   54.234   23.453 33.16820 28.79136 
1 1 1    9   35   13 o  178.289   13.972  416.430   61.709  527.219   89.321  315.264   85.353  197.536   18.316  148.572   23.810 48.96402 30.03938 
1 1 1    9   35   14 o  151.467   13.833  300.447   51.746  389.354   72.307  207.117   74.084  170.506   17.218  118.886   25.703 51.62006 30.93709 
1 1 1    9   35   15 o   58.470   24.775   17.486   62.643   0.0000   0.0000   17.486   62.643  ?   ?    58.470   24.775 0.000000 24.77484 
1 1 1    9   35   16 o  329.374   15.633  1422.33  128.584  1741.71  212.252  1237.15  161.616  352.300   24.274  300.064   21.715 52.23645 32.56981 
1 1 1    9   35   17 o  170.157   13.862  377.617   58.390  516.509   85.844  258.034   79.654  196.678   17.667  134.355   24.650 62.32367 30.32685 
1 1 1    9   35   18 o  153.594   13.371  307.007   50.771  388.173   72.397  228.455   71.221  170.671   17.222  127.185   23.282 43.48582 28.95984 
1 1 1    9   35   19 o  178.779   14.365  417.535   63.591  403.117   78.636  444.784  108.103  173.204   18.465  176.966   25.172 -3.762344 31.21845 
1 1 1    9   35   20 o  154.234   13.099  308.931   49.972  392.013   73.088  235.998   68.479  171.531   17.299  130.265   21.823 41.26627 27.84790 
1 1 1    9   35   21 o   90.065   15.108  108.260   32.776  154.814   42.567   40.458   51.370  107.543   16.367   61.388   23.678 46.15493 28.78383 
1 1 1    9   35   22 o  129.225   13.479  218.021   42.855  315.776   62.102  129.149   59.213  154.283   16.369   94.403   24.797 59.87943 29.71292 
1 1 1    9   35   23 o   62.937   26.639   22.581   72.297   0.0000   0.0000   22.581   72.297  ?   ?    62.937   26.639 0.000000 26.63852 
1 1 1    9   35   24 o   62.667   16.445   53.578   26.059   62.748   34.993   42.161   39.045   67.407   19.609   58.593   21.008 8.813358 28.73714 
1 1 1    9   35   25 o  144.247   12.561  270.115   44.795  437.251   70.663  157.822   57.921  181.962   15.705  105.323   22.692 76.63919 27.59643 
1 1 1    9   35   26 o  165.079   12.674  353.748   51.849  627.210   84.359  187.723   65.731  218.070   15.594  114.306   23.801 103.7645 28.45459 
1 1 1    9   35   27 o   37.885   15.576   7.7536   23.683   37.007   31.754 -28.9158   35.552   54.358   18.996   35.245   16.441 19.11313 25.12280 
1 1 1    9   35   28 o  102.240   13.529  137.999   33.692  163.348   49.412  115.973   46.060  108.833   18.865   90.446   20.824 18.38689 28.09821 
1 1 1    9   35   29 o   87.766   15.076  103.755   31.851  113.916   44.213   92.792   45.925   89.747   20.214   80.214   22.182 9.533302 30.01085 
1 1 1    9   35   30 o  121.858   10.112  191.324   30.493  208.664   36.580  151.834   55.204  126.651   11.698  102.634   22.186 24.01739 25.08127 
1 1 1    9   35   31 o   43.820   12.629   25.583   14.576   24.158   15.488   36.631   43.116   42.885   13.183   56.830   21.749 -13.94457 25.43308 
1 1 1    9   35   32 o   61.260   21.777   49.560   41.871   0.0000   0.0000   49.560   41.871  ?   ?    61.260   21.777 0.000000 21.77698 
1 1 1    9   36    0 o   73.498   30.529  131.603   92.264   0.0000   0.0000  131.603   92.264  ?   ?    73.498   30.529 0.000000 30.52916 
1 1 1    9   36    1 o   33.615   14.118   6.7437   20.054   3.9925   20.845   40.931   73.482   32.979   14.142   57.540   25.559 -24.56049 29.21011 
1 1 1    9   36    2 o   73.316   16.783   80.539   30.065   64.773   32.796  163.537   75.249   64.171   19.070   89.665   29.249 -25.49326 34.91667 
1 1 1    9   36    3 o   63.423   17.224   60.453   27.983   57.548   30.288   77.391   73.129   61.375   18.346   67.137   27.460 -5.762562 33.02462 
1 1 1    9   36    4 o   95.175   16.971  131.854   38.856  121.016   40.311  273.841  145.912   89.835   18.582   98.343   39.302 -8.508095 43.47369 
1 1 1    9   36    5 o  102.312   14.735  145.959   36.561  131.848   42.101  189.238   73.732   94.415   18.518  103.471   27.899 -9.055328 33.48571 
1 1 1    9   36    6 o  135.077   13.631  248.040   45.350  226.064   55.666  291.410   78.201  124.937   18.393  136.121   23.876 -11.18336 30.13918 
1 1 1    9   36    7 o   55.513   16.464   43.793   24.464   42.852   26.521   49.165   63.344   54.973   17.310   62.618   25.578 -7.645245 30.88457 
1 1 1    9   36    8 o   55.008   24.851  -0.7863   72.741   0.0000   0.0000  -0.7863   72.741  ?   ?    55.008   24.851 0.000000 24.85073 
1 1 1    9   36    9 o  100.415   15.543  138.944   37.716  152.330   44.090  102.422   72.825  103.909   17.621   79.363   28.662 24.54616 33.64549 
1 1 1    9   36   10 o   92.178   17.870  120.228   39.650  120.228   39.650   0.0000   0.0000   92.178   17.870  ?   ?  0.000000 17.87005 
1 1 1    9   36   11 o  101.373   15.424  140.287   37.813  181.511   46.725   62.051   64.369  114.681   16.815   68.189   26.448 46.49126 31.34071 
1 1 1    9   36   12 o   76.274   17.770   82.216   33.218   89.642   34.816   6.8452  110.918   79.635   17.938   67.238   30.502 12.39705 35.38581 
1 1 1    9   36   13 o   65.629   16.398   60.035   26.797   64.895   30.476   43.470   56.263   67.832   17.776   61.939   24.516 5.893040 30.28240 
1 1 1    9   36   14 o  233.279   13.928  718.021   80.765  828.315  124.161  637.119  106.338  243.056   20.652  213.553   20.180 29.50304 28.87413 
1 1 1    9   36   15 f  221.416   14.137  646.996   77.757  822.168  120.014  520.261  102.081  243.461   19.914  191.640   21.714 51.82088 29.46332 
1 1 1    9   36   16 f  104.153   16.969  148.417   42.614  215.979   50.705 -14.0693   78.634  126.313   16.467   56.831   25.741 69.48250 30.55744 
1 1 1    9   36   17 o  202.807   13.160  538.074   66.289  598.429   99.712  490.273   88.739  208.571   19.365  188.926   19.070 19.64511 27.17890 
1 1 1    9   36   18 o  157.585   13.175  325.426   51.372  380.018   73.010  271.896   72.296  167.290   17.748  138.655   21.582 28.63545 27.94224 
1 1 1    9   36   19 o  115.704   14.018  177.383   39.677  229.922   53.332  112.256   59.378  130.417   16.764   86.600   25.643 43.81714 30.63620 
1 1 1    9   36   20 f  129.438   13.382  220.340   42.629  271.556   59.025  164.498   61.632  141.745   17.015  105.991   23.861 35.75320 29.30633 
1 1 1    9   36   21 f  160.904   12.839  338.132   51.158  391.741   75.347  292.281   69.682  169.775   18.049  145.320   19.710 24.45457 26.72582 
1 1 1    9   36   22 o   93.684   15.311  118.318   34.583  180.501   46.775   43.348   51.360  115.405   16.718   61.473   23.685 53.93192 28.99106 
1 1 1    9   36   23 o  107.163   13.588  151.941   35.545  163.283   49.859  140.219   50.688  108.361   19.125   99.169   21.116 9.191833 28.48902 
1 1 1    9   36   24 o   53.050   24.187 -21.9636   70.865   0.0000   0.0000 -21.9636   70.865  ?   ?    53.050   24.187 0.000000 24.18668 
1 1 1    9   36   25 o  127.149   13.172  212.709   41.217  353.441   63.570  110.633   54.140  162.485   15.870   86.346   24.159 76.13963 28.90497 
1 1 1    9   36   26 o  132.980   13.104  232.586   42.949  366.240   67.425  141.323   55.715  164.780   16.612   98.128   23.117 66.65252 28.46708 
1 1 1    9   36   27 o  136.983   12.833  246.463   43.386  335.292   67.895  185.154   56.405  156.711   17.657  114.281   20.519 42.42969 27.07033 
1 1 1    9   36   28 o  198.849   14.341  523.963   70.733  553.921   97.992  491.372  102.206  199.271   19.961  184.967   22.597 14.30431 30.15071 
1 1 1    9   36   29 o   60.495   17.698   51.070   28.434   55.907   37.834   44.792   43.101   63.259   20.745   59.457   21.959 3.801846 30.20870 
1 1 1    9   36   30 o   56.926   22.307   35.812   46.153   0.0000   0.0000   35.812   46.153  ?   ?    56.926   22.307 0.000000 22.30682 
1 1 1    9   36   31 o   80.056   11.586   84.756   22.488   95.504   24.751   33.921   53.829   84.899   12.010   58.317   23.671 26.58170 26.54328 
1 1 1    9   36   32 o   88.153   23.860  118.296   53.807   0.0000   0.0000  118.296   53.807  ?   ?    88.153   23.860 0.000000 23.86015 
1 1 1    9   37    0 o   87.221   17.736  121.564   37.315  122.423   41.490  117.930   85.349   84.999   19.898   67.407   28.752 17.59206 34.96561 
1 1 1    9   37    1 o   64.448   18.244   67.732   30.687   60.503   32.534  126.032   92.392   60.169   19.197   69.613   29.809 -9.443062 35.45542 
1 1 1    9   37    2 o   58.079   18.002   53.862   28.810   53.263   31.093   57.497   76.594   57.361   18.806   59.087   26.177 -1.726528 32.23229 
1 1 1    9   37    3 o   35.248   14.471   10.386   20.404   10.369   21.263   10.588   72.506   35.675   14.724   51.718   23.903 -16.04326 28.07349 
1 1 1    9   37    4 o  132.442   13.706  246.719   44.673  188.013   52.536  399.995   84.889  108.958   20.047  155.563   22.506 -46.60454 30.14004 
1 1 1    9   37    5 o   54.948   17.345   45.486   26.614   42.096   27.122  133.473  138.176   53.102   17.571   73.914   33.728 -20.81199 38.03060 
1 1 1    9   37    6 o   56.301   16.659   47.080   25.067   32.738   26.969  138.121   67.950   48.605   17.456   85.142   27.795 -36.53705 32.82207 
1 1 1    9   37    7 o   33.159   13.997   4.9607   19.874   3.8730   20.870   15.544   65.103   33.357   14.223   53.487   23.888 -20.12979 27.80141 
1 1 1    9   37    8 o   16.209   8.0250 -26.9196   12.106 -27.5799   12.340 -10.0128   62.440   16.333   8.0889   48.700   22.390 -32.36742 23.80614 
1 1 1    9   37    9 o   47.086   16.720   29.287   24.677   29.287   24.677   0.0000   0.0000   47.086   16.720  ?   ?  0.000000 16.72028 
1 1 1    9   37   10 o   93.819   28.399  155.472   72.240   0.0000   0.0000  155.472   72.240  ?   ?    93.819   28.399 0.000000 28.39931 
1 1 1    9   37   11 o   82.966   16.494   97.874   32.969  110.032   38.064   61.363   65.963   87.067   18.097   66.057   26.416 21.01040 32.02069 
1 1 1    9   37   12 o   56.531   17.056   45.417   26.088   62.279   29.474 -15.5793   56.056   65.589   17.620   46.697   21.375 18.89227 27.70088 
1 1 1    9   37   13 o   48.182   16.145   30.989   22.880   33.099   25.096   20.600   55.686   49.758   16.908   54.338   23.202 -4.579647 28.70873 
1 1 1    9   37   14 o   52.021   17.247   36.805   26.124   41.909   27.142 -27.3843   96.259   54.879   17.537   58.014   27.060 -3.135204 32.24554 
1 1 1    9   37   15 o  102.868   15.388  145.117   38.315  197.059   48.614   59.943   62.253  119.180   16.801   66.683   25.969 52.49718 30.92940 
1 1 1    9   37   16 o  131.909   13.178  231.612   42.828  233.999   56.273  228.327   66.024  129.370   17.898  124.511   22.041 4.859566 28.39295 
1 1 1    9   37   17 o  117.681   14.743  187.255   42.376  257.033   56.317   96.189   64.337  136.593   16.869   78.504   27.061 58.08890 31.88828 
1 1 1    9   37   18 o   56.616   24.900   9.6809   68.091   0.0000   0.0000   9.6809   68.091  ?   ?    56.616   24.900 0.000000 24.89971 
1 1 1    9   37   19 o   45.964   16.209   26.251   23.153   16.391   26.133   62.247   49.930   42.386   16.730   66.515   23.766 -24.12888 29.06374 
1 1 1    9   37   20 o   48.959   16.744   31.039   24.615   43.066   28.444  -4.8203   49.116   55.991   17.959   46.848   20.849 9.142239 27.51693 
1 1 1    9   37   21 o   54.964   17.332   41.452   26.581   44.536   32.044   34.648   47.593   57.148   19.107   56.776   22.524 0.3727722 29.53613 
1 1 1    9   37   22 o  194.861   14.445  506.567   69.790  483.643   92.612  536.693  106.166  184.678   20.424  192.202   22.548 -7.524673 30.42270 
1 1 1    9   37   23 o   76.895   17.055   83.011   31.891  118.015   43.097   40.646   47.413   90.644   19.610   58.651   22.712 31.99335 30.00647 
1 1 1    9   37   24 o  127.853   13.833  218.217   43.462  313.884   65.960  144.811   57.778  150.518   17.899   97.751   23.875 52.76719 29.83983 
1 1 1    9   37   25 o  164.811   13.406  360.177   54.695  553.507   86.718  232.462   70.482  200.608   17.485  124.931   23.454 75.67717 29.25412 
1 1 1    9   37   26 o   74.848   16.821   78.734   30.674  105.470   46.084   57.466   41.102   84.242   21.755   63.739   21.638 20.50332 30.68317 
1 1 1    9   37   27 o   65.147   17.735   60.380   29.626   87.951   42.608   34.575   41.222   77.011   21.392   54.781   21.188 22.23026 30.10845 
1 1 1    9   37   28 o  135.464   13.572  244.947   45.294  336.844   68.369  173.066   60.467  155.526   17.932  107.156   23.264 48.36951 29.37323 
1 1 1    9   37   29 o   97.797   16.472  132.818   38.797  167.889   50.872   84.063   59.981  108.126   19.561   74.164   26.096 33.96175 32.61354 
1 1 1    9   37   30 o   54.947   18.341   41.377   29.527   56.577   37.435   16.353   48.033   62.813   20.637   51.147   21.684 11.66588 29.93475 
1 1 1    9   37   31 o   74.878   30.688   80.622   91.570   0.0000   0.0000   80.622   91.570  ?   ?    74.878   30.688 0.000000 30.68813 
1 1 1    9   38    0 o  132.861   15.695  276.826   51.066  235.168   59.429  394.381   99.833  112.289   21.981  121.418   32.345 -9.129173 39.10699 
1 1 1    9   38    1 o   77.938   18.086  101.410   34.521   85.649   37.679  183.813   86.152   68.351   20.470   77.827   30.482 -9.476746 36.71767 
1 1 1    9   38    2 o   70.207   18.212   82.007   32.202   72.100   34.781  141.477   85.216   64.007   19.769   70.854   29.378 -6.847450 35.41033 
1 1 1    9   38    3 o   74.364   31.296  166.153   98.876   0.0000   0.0000  166.153   98.876  ?   ?    74.364   31.296 0.000000 31.29620 
1 1 1    9   38    4 o   65.868   17.723   69.606   29.791   63.654   32.303  103.474   77.055   61.872   19.043   67.275   27.918 -5.402637 33.79434 
1 1 1    9   38    5 o  104.565   15.372  161.353   38.941  132.781   44.324  258.019   81.528   89.664   20.272  111.834   28.963 -22.17029 35.35233 
1 1 1    9   38    6 o   59.632   17.372   55.472   27.449   43.858   29.477  131.279   75.308   53.240   18.319   76.970   28.907 -23.72977 34.22323 
1 1 1    9   38    7 o   68.250   17.603   72.103   30.197   54.531   32.703  173.752   78.656   58.567   19.291   89.598   29.935 -31.03124 35.61221 
1 1 1    9   38    8 o  104.732   19.220  169.827   48.414  169.827   48.414   0.0000   0.0000  104.732   19.220  ?   ?  0.000000 19.21977 
1 1 1    9   38    9 o   70.175   17.395   74.521   30.330   75.683   33.963   69.947   67.399   69.599   19.006   64.559   26.378 5.040726 32.51225 
1 1 1    9   38   10 o  139.278   13.761  268.917   47.236  250.581   59.699  299.615   77.244  128.806   19.142  135.059   23.771 -6.253220 30.52019 
1 1 1    9   38   11 o   55.882   25.510   11.083   79.148   0.0000   0.0000   11.083   79.148  ?   ?    55.882   25.510 0.000000 25.51014 
1 1 1    9   38   12 o  127.902   15.580  230.744   48.733  304.172   63.073  121.972   76.766  144.557   17.852   80.168   29.354 64.38960 34.35636 
1 1 1    9   38   13 o   99.401   14.421  137.348   34.750  120.907   41.651  175.006   63.035   89.789   19.160  102.885   24.821 -13.09656 31.35554 
1 1 1    9   38   14 o   88.194   15.715  110.123   33.342  120.731   39.946   85.756   60.542   90.634   18.280   71.918   26.109 18.71552 31.87214 
1 1 1    9   38   15 o  126.973   16.044  226.092   49.736  230.820   56.312  209.322  106.056  126.232   18.406   99.971   34.728 26.26026 39.30405 
1 1 1    9   38   16 o  138.895   13.540  261.313   46.364  271.196   61.772  248.562   70.165  137.106   18.515  126.798   23.007 10.30808 29.53193 
1 1 1    9   38   17 o   96.373   15.467  129.501   35.964  147.746   44.727   96.127   60.491  100.987   18.414   76.415   26.246 24.57216 32.06113 
1 1 1    9   38   18 o   71.821   17.304   74.534   30.668   98.626   37.041   22.028   54.684   82.155   18.500   53.949   23.013 28.20555 29.52713 
1 1 1    9   38   19 o   66.470   27.649   56.176   75.834   0.0000   0.0000   56.176   75.834  ?   ?    66.470   27.649 0.000000 27.64945 
1 1 1    9   38   20 o  134.627   13.350  243.688   44.290  266.535   61.959  219.814   63.336  136.467   18.671  121.134   21.737 15.33395 28.65456 
1 1 1    9   38   21 o   79.046   17.095   89.253   32.762  107.093   41.630   60.231   53.098   84.994   19.955   64.851   24.290 20.14344 31.43563 
1 1 1    9   38   22 o  116.533   14.167  184.434   40.377  214.732   57.201  154.344   57.004  121.813   19.459   99.918   23.278 21.89529 30.34040 
1 1 1    9   38   23 o  200.362   14.900  545.422   74.018  531.441  100.229  562.193  109.776  189.786   21.529  192.851   23.264 -3.065338 31.69786 
1 1 1    9   38   24 o   55.355   18.779   42.498   30.960   72.464   42.362   8.1394   45.360   69.282   21.884   47.622   20.642 21.65980 30.08372 
1 1 1    9   38   25 o  136.485   14.224  252.394   47.766  421.677   72.867  124.838   63.252  173.964   16.990   87.021   26.624 86.94236 31.58335 
1 1 1    9   38   26 o   73.953   21.933   83.466   43.413   0.0000   0.0000   83.466   43.413  ?   ?    73.953   21.933 0.000000 21.93266 
1 1 1    9   38   27 o   37.202   15.940   3.5183   26.447   21.054   36.819 -15.1736   38.013   48.062   19.551   38.644   17.656 9.417988 26.34333 
1 1 1    9   38   28 o   36.025   15.717  -0.3378   26.653 -32.8261   34.392   48.514   42.173   33.002   15.634   59.328   21.752 -26.32588 26.78786 
1 1 1    9   38   29 o   62.131   18.718   56.185   31.437   72.199   42.326   36.479   46.951   69.004   21.883   56.037   22.327 12.96778 31.26279 
1 1 1    9   38   30 o   45.399   20.371  -5.3100   47.938   0.0000   0.0000  -5.3100   47.938  ?   ?    45.399   20.371 0.000000 20.37103 
1 1 1    9   39    0 o   50.851   18.898   50.802   32.019   53.004   32.542 -15.9802  179.198   51.662   19.081   47.352   24.242 4.309963 30.85024 
1 1 1    9   39    1 o   46.825   18.141   38.616   30.257   37.854   30.733   62.647  172.620   46.492   18.207   51.391   26.072 -4.898399 31.80030 
1 1 1    9   39    2 f   49.655   18.136   43.263   29.274   31.447   31.110  134.583   86.489   44.703   18.048   63.313   27.945 -18.61089 33.26588 
1 1 1    9   39    3 f   58.525   19.030   61.593   31.864   60.994   34.436   65.159   84.015   57.431   19.798   54.798   25.466 2.633041 32.25649 
1 1 1    9   39    4 o  115.621   17.045  213.158   47.738  166.048   53.315  403.649  107.209   93.236   23.033  121.269   34.020 -28.03292 41.08419 
1 1 1    9   39    5 o   26.535   12.475 -15.2274   21.141 -20.3326   22.018   45.080   75.676   25.965   12.361   54.095   24.788 -28.13000 27.69931 
1 1 1    9   39    6 o   77.175   18.322   97.226   34.783   99.919   38.752   86.066   78.901   76.281   20.072   62.192   27.090 14.08880 33.71606 
1 1 1    9   39    7 o   41.741   16.351   22.059   24.793   23.357   25.149 -22.8015  147.870   42.420   16.509   55.817   27.706 -13.39690 32.25162 
1 1 1    9   39    8 o   97.967   18.557  151.863   43.737  152.617   46.231  145.434  134.978   96.795   19.794   69.645   32.337 27.14957 37.91409 
1 1 1    9   39    9 o  106.627   15.173  166.297   39.261  143.507   46.045  227.000   75.148   93.731   20.263  107.019   27.851 -13.28752 34.44185 
1 1 1    9   39   10 o   48.400   17.092   34.140   25.752   39.915   27.950   1.7001   66.243   51.438   17.830   49.272   22.798 2.166637 28.94278 
1 1 1    9   39   11 o   89.102   16.578  118.349   35.530  122.533   41.287  106.403   69.757   88.187   19.285   72.590   27.692 15.59664 33.74578 
1 1 1    9   39   12 o   47.625   22.852 -40.3851   78.513   0.0000   0.0000 -40.3851   78.513  ?   ?    47.625   22.852 0.000000 22.85183 
1 1 1    9   39   13 o  109.321   16.059  173.450   42.532  217.360   53.148   95.247   70.928  120.196   18.283   70.834   27.682 49.36249 33.17468 
1 1 1    9   39   14 o   43.722   16.272   24.310   23.756   23.853   26.140   26.474   56.931   44.194   16.930   53.248   23.103 -9.054241 28.64238 
1 1 1    9   39   15 o   50.761   17.169   36.972   25.879   37.501   28.987   34.896   57.444   51.319   18.132   55.613   23.651 -4.293846 29.80204 
1 1 1    9   39   16 o   74.322   18.318   83.608   33.779   77.727   36.479  118.982   89.463   70.589   19.859   77.058   30.782 -6.468773 36.63229 
1 1 1    9   39   17 f   52.751   17.194   40.212   26.006   22.941   29.480  100.806   55.221   45.209   17.793   76.538   25.060 -31.32970 30.73435 
1 1 1    9   39   18 o   50.968   17.471   36.565   26.799   47.282   30.881   3.8710   53.938   56.621   18.750   48.455   21.685 8.165943 28.66682 
1 1 1    9   39   19 o  103.218   14.864  149.081   37.208  144.505   47.876  156.062   59.126   97.217   20.373   97.144   24.405 0.7346344E-01 31.79064 
1 1 1    9   39   20 o   54.362   24.691   4.9149   72.973   0.0000   0.0000   4.9149   72.973  ?   ?    54.362   24.691 0.000000 24.69147 
1 1 1    9   39   21 o   75.606   17.693   84.243   32.814   90.002   42.388   75.630   51.836   75.702   21.446   68.573   24.246 7.129219 32.36945 
1 1 1    9   39   22 f   47.615   17.819   28.383   28.565   9.8271   35.505   62.436   48.098   43.332   18.515   63.930   23.262 -20.59789 29.73077 
1 1 1    9   39   23 o  113.677   14.667  179.001   40.665  174.958   58.663  182.740   56.420  105.279   22.960  109.136   21.467 -3.856956 31.43252 
1 1 1    9   39   24 o   85.290   19.525  109.345   40.687  120.669   52.637   92.536   64.130   86.272   23.703   74.000   26.870 12.27179 35.83089 
1 1 1    9   39   25 o   70.761   19.390   75.576   35.279  131.503   51.265   25.268   48.622   91.232   22.615   52.422   21.998 38.80958 31.54945 
1 1 1    9   39   26 o  101.272   15.710  144.226   38.444  124.472   55.971  161.867   52.895   86.906   24.652  102.853   21.295 -15.94643 32.57617 
1 1 1    9   39   27 o   96.454   16.613  132.666   38.571  185.715   57.734   89.901   51.837  109.909   21.805   74.306   24.278 35.60332 32.63244 
1 1 1    9   39   28 o   82.715   18.322  100.850   36.849  147.376   51.712   52.855   52.522   97.597   21.771   61.321   23.860 36.27633 32.30033 
1 1 1    9   39   29 o   62.104   23.551   56.173   50.268   0.0000   0.0000   56.173   50.268  ?   ?    62.104   23.551 0.000000 23.55149 
1 1 1    9   39   30 o   47.385   21.646 -10.0076   57.114   0.0000   0.0000 -10.0076   57.114  ?   ?    47.385   21.646 0.000000 21.64639 
1 1 1    9   40    2 o   39.490   16.597   23.141   27.748   23.283   28.156   18.352  163.632   39.599   16.685   46.679   23.838 -7.079666 29.09664 
1 1 1    9   40    3 o   49.154   18.096   45.154   29.229   35.574   30.968  123.326   88.464   44.983   18.060   57.143   26.407 -12.16001 31.99226 
1 1 1    9   40    4 o   68.060   29.396  182.442   91.327   0.0000   0.0000  182.442   91.327  ?   ?    68.060   29.396 0.000000 29.39566 
1 1 1    9   40    5 o   78.418   18.818  108.573   36.379   89.559   39.834  204.154   89.309   67.078   21.225   76.032   30.620 -8.953873 37.25648 
1 1 1    9   40    6 o   43.804   21.613 -42.2172   85.225   0.0000   0.0000 -42.2172   85.225  ?   ?    43.804   21.613 0.000000 21.61332 
1 1 1    9   40    7 o   39.948   16.040   20.279   24.430   13.462   25.836   77.857   75.081   37.698   15.938   58.134   25.828 -20.43598 30.35031 
1 1 1    9   40    8 o   76.105   18.263   96.162   34.266   81.742   38.190  155.715   77.609   67.002   20.719   76.212   29.177 -9.209373 35.78513 
1 1 1    9   40    9 o   41.908   16.621   22.632   25.908   20.528   26.485   69.348  124.790   41.186   16.643   59.221   28.517 -18.03534 33.01855 
1 1 1    9   40   10 o   39.625   15.832   18.329   23.670   16.304   25.171   33.811   69.590   39.295   16.095   53.045   24.101 -13.75048 28.98110 
1 1 1    9   40   11 o   79.403   17.130   98.275   32.969   77.820   37.044  176.208   72.306   67.365   20.324   89.293   28.632 -21.92842 35.11243 
1 1 1    9   40   12 o   35.488   14.979   8.5011   22.757   13.372   24.152 -30.0408   67.941   38.065   15.699   44.621   21.370 -6.555367 26.51670 
1 1 1    9   40   13 o   66.583   18.862   71.678   32.788   84.895   36.812   20.935   72.129   71.696   19.872   52.982   24.250 18.71395 31.35187 
1 1 1    9   40   14 o   41.221   19.822 -42.7393   59.812   0.0000   0.0000 -42.7393   59.812  ?   ?    41.221   19.822 0.000000 19.82249 
1 1 1    9   40   15 o   48.805   17.405   34.466   26.769   40.657   30.153   11.431   58.158   52.042   18.482   49.273   22.244 2.769299 28.92026 
1 1 1    9   40   16 o   50.870   17.708   38.162   27.583   41.727   31.420   26.181   57.595   52.790   18.854   52.409   22.978 0.3816071 29.72330 
1 1 1    9   40   17 o   76.857   17.770   90.207   33.424  101.649   40.073   64.051   60.588   79.641   20.137   62.241   25.166 17.39988 32.23080 
1 1 1    9   40   18 o   55.272   18.834   46.330   31.141   51.118   33.888   20.336   78.959   57.477   19.647   55.963   25.521 1.514729 32.20722 
1 1 1    9   40   19 o   85.409   17.066  108.435   35.125   91.184   43.729  139.807   58.969   74.091   22.021   88.537   25.368 -14.44634 33.59291 
1 1 1    9   40   20 o   73.631   18.452   83.157   33.861   72.839   42.683  100.676   55.617   66.616   22.043   75.208   25.172 -8.592072 33.45921 
1 1 1    9   40   21 o   44.630   17.839   21.743   30.068   34.836   37.094  -3.3424   51.345   51.435   20.041   45.538   20.694 5.897102 28.80825 
1 1 1    9   40   22 o   48.666   21.432   12.271   50.599   0.0000   0.0000   12.271   50.599  ?   ?    48.666   21.432 0.000000 21.43245 
1 1 1    9   40   23 o  110.687   16.012  175.716   42.973  189.665   61.974  162.798   59.639  107.134   23.785   98.183   24.425 8.951698 34.09250 
1 1 1    9   40   24 o   47.034   18.830   24.701   33.558   37.659   46.515   10.635   48.462   54.484   22.043   47.781   21.010 6.703571 30.45204 
1 1 1    9   40   25 o  111.953   18.042  185.105   48.726  161.238   65.406  214.871   73.044   95.375   26.507  110.817   26.709 -15.44208 37.63002 
1 1 1    9   40   26 o  105.105   16.152  158.528   41.036  146.358   58.988  169.942   57.125   92.522   24.957  102.452   22.903 -9.929207 33.87370 
1 1 1    9   40   27 o   70.776   19.484   77.453   35.525   89.171   50.193   65.691   50.286   72.817   23.895   64.137   23.713 8.680672 33.66395 
1 1 1    9   40   28 o   48.803   21.353   13.242   49.508   0.0000   0.0000   13.242   49.508  ?   ?    48.803   21.353 0.000000 21.35308 
1 1 1    9   40   29 o   45.309   21.010 -16.7053   56.716   0.0000   0.0000 -16.7053   56.716  ?   ?    45.309   21.010 0.000000 21.01045 
1 1 1    9   41    5 o   33.582   14.852   8.0628   24.551   7.6291   25.599   13.037   86.699   33.823   15.052   44.195   21.805 -10.37228 26.49554 
1 1 1    9   41    6 o   24.569   11.773 -18.9064   20.683 -18.6921   21.417 -21.8752   79.699   25.104   12.016   41.873   20.706 -16.76972 23.93974 
1 1 1    9   41    7 o   64.624   29.669  199.602  109.109   0.0000   0.0000  199.602  109.109  ?   ?    64.624   29.669 0.000000 29.66875 
1 1 1    9   41    8 o   51.477   18.475   47.899   30.207   62.291   32.668 -36.9439   79.320   57.552   19.292   42.243   20.844 15.30958 28.40168 
1 1 1    9   41    9 f   31.165   13.984  -0.3635   22.591   10.577   23.692 -109.9709   74.989   35.410   15.127   36.725   18.451 -1.315056 23.85931 
1 1 1    9   41   10 o   35.464   15.221   9.4935   24.187   10.008   25.558   5.0800   74.871   36.207   15.594   47.058   22.510 -10.85149 27.38396 
1 1 1    9   41   11 o   44.855   17.671   29.559   29.103   26.154   29.956   86.781  122.797   43.651   17.679   58.419   28.170 -14.76794 33.25847 
1 1 1    9   41   12 o   30.145   13.814  -7.3446   23.505 -10.4401   24.968   16.780   69.703   30.219   13.987   49.149   22.959 -18.93019 26.88416 
1 1 1    9   41   13 o   31.300   14.152  -4.0289   23.643  -1.2162   25.140 -25.5529   69.546   32.984   14.780   44.250   21.303 -11.26587 25.92796 
1 1 1    9   41   14 o   90.296   17.644  129.053   38.358  119.573   45.267  153.193   72.233   81.835   21.771   80.473   28.603 1.362297 35.94582 
1 1 1    9   41   15 o   47.234   22.658 -20.6826   77.061   0.0000   0.0000 -20.6826   77.061  ?   ?    47.234   22.658 0.000000 22.65773 
1 1 1    9   41   16 o   45.263   17.603   27.693   28.577   34.140   32.481   5.6091   60.116   48.564   18.801   47.441   21.869 1.122448 28.83976 
1 1 1    9   41   17 o   98.623   17.296  149.295   41.044  181.039   51.868   96.124   67.128  104.939   20.528   67.947   26.815 36.99179 33.77072 
1 1 1    9   41   18 o   52.493   18.763   42.589   31.125   58.993   36.818   1.4995   58.270   59.538   20.474   46.855   21.574 12.68365 29.74259 
1 1 1    9   41   19 o   41.178   17.525   13.006   31.581   11.622   34.571   19.980   77.632   41.875   18.086   53.978   24.871 -12.10239 30.75217 
1 1 1    9   41   20 o   77.935   19.097   96.890   36.874  105.910   47.529   83.251   58.441   77.504   22.941   66.615   25.362 10.88915 34.19828 
1 1 1    9   41   21 o   51.421   19.107   38.928   32.730   26.667   41.005   60.456   54.334   48.543   20.274   60.217   24.010 -11.67353 31.42472 
1 1 1    9   41   22 o   68.020   19.976   75.312   36.162  108.037   48.263   33.423   54.605   78.619   23.074   53.276   22.868 25.34316 32.48590 
1 1 1    9   41   23 o   58.007   26.883   26.448   92.658   0.0000   0.0000   26.448   92.658  ?   ?    58.007   26.883 0.000000 26.88343 
1 1 1    9   41   24 o   55.708   20.396   47.821   37.060   73.526   52.703   22.678   52.124   64.850   24.217   50.468   22.000 14.38125 32.71786 
1 1 1    9   41   25 o  119.523   16.288  209.213   47.350  231.184   71.814  192.316   62.978  113.681   25.878  105.140   24.449 8.540962 35.60109 
1 1 1    9   41   26 o   51.947   20.555   36.913   39.539   35.341   53.473   38.810   58.729   53.907   22.868   55.609   23.788 -1.701874 32.99732 
1 1 1    9   41   27 o   49.136   21.263   20.917   47.963   0.0000   0.0000   20.917   47.963  ?   ?    49.136   21.263 0.000000 21.26250 
1 1 1    9   41   28 o   48.497   22.179   2.0450   60.178   0.0000   0.0000   2.0450   60.178  ?   ?    48.497   22.179 0.000000 22.17947 
1 1 1    9   42    9 o   39.235   19.584 -50.2495   78.214   0.0000   0.0000 -50.2495   78.214  ?   ?    39.235   19.584 0.000000 19.58369 
1 1 1    9   42   10 o   56.205   19.459   62.528   33.285   37.949   36.485  184.531   81.284   46.093   19.176   71.136   29.006 -25.04341 34.77172 
1 1 1    9   42   11 o   64.349   20.067   80.770   35.739   77.064   39.984   95.495   79.699   60.601   21.308   56.483   25.713 4.117512 33.39413 
1 1 1    9   42   12 o   79.381   20.786  119.657   41.691  102.372   44.480  244.659  119.615   69.790   22.465   70.275   31.797 -0.4853210 38.93227 
1 1 1    9   42   13 o  113.217   16.778  207.608   45.999  170.991   55.241  290.412   83.071   91.123   23.959  106.924   29.929 -15.80096 38.33752 
1 1 1    9   42   14 o   55.551   19.364   55.753   32.986   60.520   36.948   37.038   73.215   56.732   20.426   50.805   23.665 5.926525 31.26055 
1 1 1    9   42   15 o   56.201   19.343   56.182   32.864   54.456   37.438   61.979   68.613   54.667   20.411   55.376   24.642 -0.7081757 31.99802 
1 1 1    9   42   16 o   31.352   14.667 -14.0368   28.622 -12.3160   30.505 -26.6978   82.746   32.712   15.250   45.890   22.360 -13.17742 27.06496 
1 1 1    9   42   17 o   36.916   16.415   4.2898   30.384  -6.0074   34.962   36.067   61.418   36.303   16.714   51.305   23.037 -15.00129 28.46128 
1 1 1    9   42   18 o   65.914   20.115   76.514   36.135   62.820   43.871  105.405   63.721   58.269   22.025   68.084   26.340 -9.815636 34.33503 
1 1 1    9   42   19 o   80.434   19.757  109.620   39.397   84.027   49.619  153.278   64.806   65.225   23.643   83.550   27.138 -18.32522 35.99271 
1 1 1    9   42   20 o  165.583   16.367  417.334   66.789  315.943   84.119  590.275  109.861  124.837   27.707  176.333   25.705 -51.49670 37.79464 
1 1 1    9   42   21 o   69.185   20.781   83.824   38.791   67.842   51.255  105.251   59.349   60.237   23.534   70.711   25.823 -10.47377 34.93815 
1 1 1    9   42   22 o   55.277   20.719   50.993   38.648   53.081   51.569   48.316   58.374   56.103   23.016   55.264   23.680 0.8384705 33.02231 
1 1 1    9   42   23 o  104.442   18.872  174.402   47.409  177.010   68.842  172.049   65.384   91.638   27.720   91.946   26.820 -0.3075790 38.57084 
1 1 1    9   42   24 o   51.488   24.799 -13.1121   94.485   0.0000   0.0000 -13.1121   94.485  ?   ?    51.488   24.799 0.000000 24.79863 
1 1 1    9   42   25 o   31.172   15.090 -40.9050   36.092 -23.3894   51.860 -57.3579   50.262   40.544   19.205   35.466   17.313 5.077660 25.85643 
1 1 1    9   42   26 o   46.432   21.056   9.1891   52.794   0.0000   0.0000   9.1891   52.794  ?   ?    46.432   21.056 0.000000 21.05586 
1 1 1    9   42   27 o   71.882   26.686  108.733   63.817   0.0000   0.0000  108.733   63.817  ?   ?    71.882   26.686 0.000000 26.68644 
1 1 1    9   43   14 o   83.161   21.771  141.446   45.740  114.301   49.659  293.345  117.474   68.790   23.771   72.162   32.169 -3.371773 39.99862 
1 1 1    9   43   15 o   38.573   16.917   14.839   31.237   22.490   34.675 -18.0997   71.949   41.542   18.027   41.943   20.525 -0.4014282 27.31813 
1 1 1    9   43   16 o   34.347   15.741  -1.1109   30.530 -11.3108   34.336   37.398   66.717   33.695   15.859   48.458   22.578 -14.76299 27.59069 
1 1 1    9   43   17 o   35.542   16.173   1.3720   31.495  -0.5393   35.825   7.8767   66.091   36.678   16.898   44.881   21.379 -8.203171 27.25136 
1 1 1    9   43   18 o   44.719   22.097 -33.8144   90.196   0.0000   0.0000 -33.8144   90.196  ?   ?    44.719   22.097 0.000000 22.09652 
1 1 1    9   43   19 o   34.681   16.095  -7.1984   33.377 -16.3199   39.681   14.868   61.718   35.459   16.797   46.026   21.534 -10.56744 27.31001 
1 1 1    9   43   20 o   58.272   20.950   65.177   38.858   69.534   49.395   58.102   62.940   57.782   22.939   54.046   23.847 3.736061 33.08915 
1 1 1    9   43   21 o   36.040   16.691  -6.4396   35.623  -4.5847   44.908  -9.5876   58.504   39.642   18.488   42.472   20.199 -2.829514 27.38252 
1 1 1    9   43   22 o   48.738   20.293   37.189   40.906   15.727   54.782   64.237   61.499   45.859   21.042   56.123   24.181 -10.26413 32.05490 
1 1 1    9   43   23 o   75.200   22.702  110.451   46.207  163.642   66.372   60.424   64.367   83.280   27.484   55.558   24.327 27.72198 36.70415 
1 1 1    9   43   24 o   56.219   21.713   59.082   43.242   71.212   61.610   47.305   60.707   58.261   24.621   53.009   23.404 5.251820 33.96972 
1 1 1    9   43   25 o   49.603   24.346 -18.8838  103.539   0.0000   0.0000 -18.8838  103.539  ?   ?    49.603   24.346 0.000000 24.34556 
1 1 1   10  -32    0 o   59.411   24.345   57.289   57.616   65.800  107.873   53.892   68.151   63.650   29.324   59.309   25.505 4.340397 38.86387 
1 1 1   10  -32    1 o   58.766   24.292   58.227   58.014  158.320  107.849   17.473   68.818   75.517   32.268   51.733   23.681 23.78316 40.02532 
1 1 1   10  -31    0 o   45.141   20.536  -4.3902   50.732 -44.2283   94.406   11.785   60.156   51.935   24.956   51.165   22.899 0.7698097 33.86980 
1 1 1   10  -31    1 o   67.352   27.168   81.744   70.431   0.0000   0.0000   81.744   70.431  ?   ?    67.352   27.168 0.000000 27.16790 
1 1 1   10  -31    2 o   47.147   21.525   1.3287   56.374   3.2548   97.822   0.3709   68.980   55.969   26.471   50.244   23.254 5.725632 35.23449 
1 1 1   10  -31    3 o   69.172   26.451   95.062   63.741 -24.2062  105.626  163.374   79.938   53.405   25.844   84.783   30.095 -31.37798 39.66852 
1 1 1   10  -30    0 o   39.303   15.439   15.281   22.158   9.5095   24.450   41.805   52.416   37.973   15.740   57.908   23.409 -19.93457 28.20890 
1 1 1   10  -30    1 o   37.974   18.154 -44.6053   48.552 -135.2745   91.435  -9.0008   57.297   44.377   21.985   47.203   21.608 -2.825981 30.82585 
1 1 1   10  -30    2 o   42.805   20.116 -27.8965   54.886 -60.8200   87.875  -6.8367   70.281   49.086   23.710   50.961   23.546 -1.875034 33.41482 
1 1 1   10  -30    3 o   56.780   23.573   42.776   54.967   30.211   94.550   49.191   67.557   60.222   27.637   59.988   25.583 0.2335930 37.66045 
1 1 1   10  -30    4 o   71.032   26.059   94.281   60.537   82.815   99.966  100.920   76.072   67.093   29.806   71.159   28.398 -4.066597 41.16881 
1 1 1   10  -30    5 o   72.582   26.025  102.409   59.923   76.808  100.737  116.428   74.546   64.698   29.235   73.855   28.513 -9.156532 40.83708 
1 1 1   10  -29    0 o   96.817   24.258  145.991   58.529   0.0000   0.0000  145.991   58.529  ?   ?    96.817   24.258 0.000000 24.25826 
1 1 1   10  -29    1 o   77.864   18.214   88.214   34.786   88.214   34.786   0.0000   0.0000   77.864   18.214  ?   ?  0.000000 18.21433 
1 1 1   10  -29    2 o   33.879   14.286   4.6968   20.671   0.7534   22.440   26.784   53.108   33.533   14.527   54.295   22.898 -20.76262 27.11732 
1 1 1   10  -29    3 o   45.807   20.664  -3.7705   50.079   80.051   85.337 -47.7999   61.849   70.409   29.313   43.173   20.598 27.23569 35.82624 
1 1 1   10  -29    4 o   46.336   20.817   0.6280   50.218   62.027   83.200 -34.5603   62.985   65.475   28.169   44.922   21.245 20.55277 35.28183 
1 1 1   10  -29    5 o   61.446   24.071   58.911   53.728   63.320   89.995   56.470   66.974   65.146   28.639   61.852   25.878 3.293819 38.59863 
1 1 1   10  -29    6 f   60.183   24.314   56.604   56.508   99.358   92.667   31.294   71.298   70.354   29.983   56.366   25.099 13.98774 39.10131 
1 1 1   10  -29    7 o   68.169   25.512   87.125   58.555   27.600   93.503  125.531   75.106   57.844   26.876   76.571   28.847 -18.72766 39.42692 
1 1 1   10  -28    0 o   42.520   17.183   13.683   28.231   13.683   28.231   0.0000   0.0000   42.520   17.183  ?   ?  0.000000 17.18317 
1 1 1   10  -28    1 o   94.086   14.253  119.427   32.438  123.068   39.587  111.985   56.593   93.845   17.537   85.373   24.966 8.472511 30.50984 
1 1 1   10  -28    2 o  176.602   11.734  408.955   51.452  422.111   67.212  390.332   79.968  176.446   15.408  165.601   19.726 10.84514 25.03059 
1 1 1   10  -28    3 o  121.297   12.140  195.382   36.279  166.662   43.896  257.279   64.441  109.184   16.625  133.131   20.002 -23.94691 26.00888 
1 1 1   10  -28    4 o   47.822   16.525   30.415   23.998   11.989   26.437  116.664   57.197   40.154   16.477   84.330   25.213 -44.17607 30.11911 
1 1 1   10  -28    5 o   71.238   24.778   82.868   53.997  130.283   86.611   52.721   69.062   82.551   31.002   63.265   26.357 19.28643 40.69138 
1 1 1   10  -28    6 o   46.594   20.857   1.7634   49.932   35.210   81.183 -18.5881   63.327   60.613   26.897   47.487   22.082 13.12609 34.80053 
1 1 1   10  -28    7 o  105.536   24.678  188.784   63.874  210.528   99.854  173.724   83.100   96.498   33.687   92.013   30.769 4.485619 45.62422 
1 1 1   10  -28    8 o   61.233   24.188   60.128   54.667   44.499   88.917   69.625   69.315   61.079   27.545   64.313   26.567 -3.234207 38.26919 
1 1 1   10  -27    0 o   36.990   15.221   7.1074   22.641   18.941   26.250 -27.2745   44.744   44.157   16.954   40.949   18.873 3.208447 25.36964 
1 1 1   10  -27    1 o   84.292   14.771   95.548   29.958   84.400   36.700  117.807   51.860   77.538   19.083   90.059   22.983 -12.52065 29.87311 
1 1 1   10  -27    2 o   60.599   18.630   50.725   30.928   68.815   33.265 -64.5848   83.985   69.868   18.698   51.699   24.474 18.16984 30.79923 
1 1 1   10  -27    3 o   55.070   16.589   41.646   24.692   40.001   28.035   47.337   52.145   54.491   17.857   62.166   23.888 -7.675346 29.82471 
1 1 1   10  -27    4 o  103.761   13.202  143.842   33.434  138.538   40.324  155.510   59.805   99.896   16.758  100.935   24.066 -1.038345 29.32607 
1 1 1   10  -27    5 f   99.228   13.500  132.908   32.584  120.020   38.526  165.295   61.073   92.030   17.401  103.163   24.136 -11.13277 29.75468 
1 1 1   10  -27    6 o   30.021   13.173  -2.2041   18.964   1.4216   20.292 -27.2127   53.294   32.389   13.922   43.409   20.210 -11.02024 24.54106 
1 1 1   10  -27    7 o   72.051   24.642   84.550   53.310   64.809   82.990   98.419   69.560   67.684   28.588   75.520   27.896 -7.835388 39.94353 
1 1 1   10  -27    8 o   76.529   24.822   99.452   54.223  112.651   84.790   90.319   70.530   76.967   30.212   71.947   27.746 5.020340 41.01991 
1 1 1   10  -27    9 o   59.103   23.341   51.209   50.896   89.436   83.369   28.498   64.260   70.302   29.096   55.587   24.324 14.71514 37.92412 
1 1 1   10  -27   10 o   48.648   21.477   13.830   51.117   19.767   81.022   9.9043   65.884   56.294   25.742   51.689   23.471 4.605042 34.83598 
1 1 1   10  -26    0 o  248.949   11.761  791.607   73.112  840.010  102.415  741.304  104.405  253.410   16.270  236.960   17.773 16.44977 24.09588 
1 1 1   10  -26    1 o  154.293   11.131  305.431   42.600  276.078   56.679  343.541   64.582  144.618   15.961  161.331   16.252 -16.71272 22.77855 
1 1 1   10  -26    2 o   38.356   15.239   11.258   21.816   7.9123   24.944   22.147   44.996   38.815   15.975   53.410   21.655 -14.59560 26.90972 
1 1 1   10  -26    3 o  111.654   12.704  163.118   34.792  145.788   43.156  195.295   58.805  103.510   17.307  118.262   20.664 -14.75157 26.95423 
1 1 1   10  -26    4 o   59.738   18.002   49.081   29.075   45.666   30.616   80.456   92.803   58.080   18.632   78.552   31.361 -20.47200 36.47802 
1 1 1   10  -26    5 o   68.452   16.428   65.191   27.723   56.249   31.927   92.602   55.897   63.254   18.820   78.568   25.173 -15.31412 31.43013 
1 1 1   10  -26    6 o   26.119   12.043 -12.5910   18.243 -20.8614   19.477   46.569   52.092   24.955   11.806   61.458   23.805 -36.50300 26.57126 
1 1 1   10  -26    7 o   80.279   15.314   89.416   29.580   72.070   33.942  144.202   60.321   70.331   18.914   95.574   24.991 -25.24303 31.34206 
1 1 1   10  -26    8 o   51.732   21.267   25.453   44.146 -92.2169   75.770   85.926   54.318   43.983   21.423   73.491   24.875 -29.50750 32.82840 
1 1 1   10  -26    9 o   59.094   22.980   47.576   48.692   91.237   79.180   21.024   61.748   73.458   29.081   54.950   23.950 18.50713 37.67332 
1 1 1   10  -26   10 o   93.963   23.826  145.260   55.987  142.767   83.937  147.258   75.146   84.899   30.754   88.215   29.251 -3.316093 42.44342 
1 1 1   10  -26   11 o   67.700   24.458   77.268   53.037  123.661   81.676   43.443   69.741   78.537   29.964   59.621   25.719 18.91640 39.48822 
1 1 1   10  -26   12 o   44.439   20.368  -6.7537   51.130 -64.3856   79.369   34.131   66.850   45.657   22.167   56.345   24.729 -10.68771 33.20964 
1 1 1   10  -25    0 o  178.266   16.702  414.854   73.485  398.776  112.388  426.860   97.121  168.703   27.635  177.899   22.356 -9.196167 35.54519 
1 1 1   10  -25    1 o  337.952   12.725  1459.58  107.390  1397.07  150.686  1524.10  153.088  325.969   18.589  340.998   18.042 -15.02966 25.90474 
1 1 1   10  -25    2 o  120.626   11.559  187.097   34.392  150.962   44.648  239.821   53.931  106.243   17.434  134.914   16.341 -28.67111 23.89491 
1 1 1   10  -25    3 o   77.720   15.825   81.265   29.669   95.779   36.504   53.019   50.925   83.820   17.979   65.863   23.940 17.95744 29.93931 
1 1 1   10  -25    4 o  201.192   11.329  519.555   56.688  524.842   75.781  512.837   85.420  200.014   15.288  196.167   17.626 3.847122 23.33216 
1 1 1   10  -25    5 o  188.173   11.504  456.417   53.796  458.394   71.221  453.789   82.089  186.276   15.450  183.456   18.157 2.820679 23.84089 
1 1 1   10  -25    6 o  247.028   15.680  810.480   96.222  713.948  120.950  976.910  158.813  225.728   21.725  260.203   24.739 -34.47505 32.92427 
1 1 1   10  -25    7 o  134.354   12.100  236.163   40.160  253.674   49.988  204.288   67.443  137.800   14.756  117.636   23.777 20.16422 27.98339 
1 1 1   10  -25    8 o   44.133   15.816   23.504   22.129   32.093   24.306 -18.1186   53.505   49.431   16.640   46.000   20.989 3.430763 26.78519 
1 1 1   10  -25    9 o   37.673   14.736   13.213   20.113   4.0079   21.682   70.014   53.861   34.524   14.599   68.717   24.670 -34.19276 28.66581 
1 1 1   10  -25   10 o   53.314   22.002   27.562   47.476   58.727   72.229   3.8562   62.996   66.340   27.230   52.539   23.479 13.80147 35.95450 
1 1 1   10  -25   11 o   47.420   20.627   9.8561   45.614   9.0877   72.372   10.362   58.752   55.331   24.911   51.861   22.954 3.470287 33.87389 
1 1 1   10  -25   12 o   57.560   23.067   44.180   50.416   94.888   78.474   8.5415   65.788   72.881   28.919   52.787   23.760 20.09386 37.42819 
1 1 1   10  -25   13 o   56.904   23.171   43.583   51.784   85.801   77.352   9.2953   69.710   69.405   28.298   53.161   24.141 16.24415 37.19603 
1 1 1   10  -24    0 o  135.991   11.067  235.636   37.256  215.186   51.596  257.914   53.853  128.343   16.479  140.995   15.554 -12.65166 22.66066 
1 1 1   10  -24    1 o  151.371   11.321  292.088   42.482  418.235   59.354  159.583   60.831  180.649   13.250  107.741   23.289 72.90790 26.79381 
1 1 1   10  -24    2 o  171.334   16.685  382.932   70.481  401.009  106.872  369.018   93.761  170.508   25.916  164.855   23.435 5.653763 34.94035 
1 1 1   10  -24    3 o  172.250   10.756  377.859   46.036  441.040   62.516  303.009   68.045  185.088   13.622  151.286   18.390 33.80209 22.88508 
1 1 1   10  -24    4 f  101.831   12.992  134.785   32.284  146.110   40.736  115.659   52.940  105.068   16.034   90.868   23.238 14.19982 28.23315 
1 1 1   10  -24    5 o   92.933   13.669  113.380   30.774  135.210   37.515   68.470   53.809  101.052   15.349   71.994   24.752 29.05817 29.12486 
1 1 1   10  -24    6 f  184.438   10.605  435.203   48.638  392.227   63.250  497.384   76.082  173.113   14.773  194.449   15.805 -21.33617 21.63408 
1 1 1   10  -24    7 o   65.330   17.770   58.835   29.759   47.003   31.365  165.568   94.202   59.182   18.845  102.229   32.671 -43.04659 37.71639 
1 1 1   10  -24    8 o   49.522   16.283   31.842   23.304   35.084   25.643   16.459   55.857   51.813   17.083   55.290   23.409 -3.477287 28.97938 
1 1 1   10  -24    9 o   59.994   16.341   49.900   25.145   50.498   28.436   47.756   53.841   60.245   17.720   62.867   24.243 -2.621433 30.02829 
1 1 1   10  -24   10 o   52.244   16.363   37.242   23.734   36.635   26.353   39.848   54.612   52.244   17.322   59.974   24.017 -7.729275 29.61231 
1 1 1   10  -24   11 o   29.620   12.874  -1.0163   17.740  -1.8393   18.922   4.9568   50.977   30.241   13.217   49.200   21.594 -18.95874 25.31750 
1 1 1   10  -24   12 o   68.064   23.569   71.239   48.829   61.594   74.015   78.673   64.975   67.080   27.552   70.824   26.796 -3.744873 38.43373 
1 1 1   10  -24   13 o   43.953   19.836  -5.9341   46.200   14.862   68.929 -22.8964   62.252   55.381   24.668   46.989   21.865 8.391182 32.96350 
1 1 1   10  -24   14 o   63.657   24.028   63.342   52.170   31.734   76.587   90.705   71.259   59.187   26.201   71.810   27.834 -12.62265 38.22600 
1 1 1   10  -24   15 f   67.557   24.492   77.620   53.252  105.379   79.440   54.968   71.762   73.740   29.149   62.022   26.407 11.71889 39.33155 
1 1 1   10  -23    0 o   91.429   12.774  108.053   28.369  151.101   39.367   61.550   40.916  107.805   15.032   68.632   21.483 39.17324 26.21966 
1 1 1   10  -23    1 o  174.017   10.478  383.858   45.319  377.946   63.526  389.986   64.670  171.331   14.999  174.048   15.027 -2.716919 21.23144 
1 1 1   10  -23    2 o  158.208   10.567  317.779   41.509  334.680   57.340  299.170   60.166  161.268   14.389  151.825   16.116 9.443420 21.60488 
1 1 1   10  -23    3 o   94.827   12.872  116.433   29.693  128.057   38.559   99.494   46.545   98.573   16.229   85.308   21.775 13.26514 27.15788 
1 1 1   10  -23    4 o   43.958   19.425  -9.5463   41.912   17.803   65.874 -28.1469   54.325   61.281   25.654   46.544   21.204 14.73726 33.28223 
1 1 1   10  -23    5 o   63.098   15.982   53.391   25.210   62.414   29.973   31.570   46.610   68.014   17.535   57.900   22.492 10.11492 28.51954 
1 1 1   10  -23    6 o  194.104   10.983  480.428   53.019  478.420   70.733  483.002   80.096  192.051   14.865  191.951   16.882 0.1007843 22.49310 
1 1 1   10  -23    7 o  143.436   11.181  263.775   39.733  263.544   50.309  264.158   64.776  142.183   14.366  140.219   18.988 1.963684 23.81017 
1 1 1   10  -23    8 o  180.492   11.284  418.132   50.604  399.059   65.792  445.760   79.183  174.365   15.264  182.960   17.546 -8.594635 23.25629 
1 1 1   10  -23    9 o  228.283   15.095  685.317   85.568  591.144  105.246  868.945  146.965  207.531   20.580  248.005   24.032 -40.47305 31.63939 
1 1 1   10  -23   10 o   62.018   15.817   52.861   24.572   56.041   27.623   40.808   53.787   63.616   17.044   61.259   24.058 2.356529 29.48365 
1 1 1   10  -23   11 o   60.067   15.804   49.950   24.025   44.966   26.762   70.647   54.536   57.108   17.285   70.483   24.875 -13.37489 30.29081 
1 1 1   10  -23   12 o   81.331   13.972   89.811   27.355   83.243   31.038  112.665   57.898   77.035   16.622   84.893   25.363 -7.857582 30.32473 
1 1 1   10  -23   13 o   71.738   15.459   72.109   26.877   69.458   30.012   82.843   60.394   69.544   17.341   72.919   26.129 -3.374756 31.35982 
1 1 1   10  -23   14 o   47.654   20.668   9.6766   45.528   27.815   67.479  -5.4802   61.684   58.243   25.212   50.153   22.750 8.089569 33.95830 
1 1 1   10  -23   15 o   67.293   23.992   72.049   50.856   94.643   74.644   52.476   69.475   73.766   28.517   63.043   26.365 10.72335 38.83683 
1 1 1   10  -23   16 o   82.545   24.850  116.961   55.421  138.096   81.045   98.397   75.957   83.424   30.220   73.358   28.652 10.06556 41.64368 
1 1 1   10  -23   17 o   42.597   19.634 -12.3944   48.439 -39.2191   72.158   9.6100   65.354   46.590   22.234   51.801   23.465 -5.210918 32.32535 
1 1 1   10  -22    0 o  113.737   14.134  166.877   39.279  174.495   52.950  157.556   58.571  114.905   19.126  108.037   22.443 6.867409 29.48729 
1 1 1   10  -22    1 o  156.662   10.172  310.752   39.581  291.782   55.283  330.702   56.694  150.584   14.897  160.581   14.287 -9.996658 20.64103 
1 1 1   10  -22    2 o  248.554   10.831  780.429   67.225  788.404   94.872  772.386   95.269  247.913   15.401  245.273   15.636 2.640366 21.94682 
1 1 1   10  -22    3 o  152.110   11.035  294.046   41.631  401.542   58.109  180.686   59.673  177.251   13.223  115.948   21.398 61.30341 25.15395 
1 1 1   10  -22    4 o  166.645   10.647  352.427   44.074  337.445   59.926  370.078   65.048  161.767   15.005  169.268   15.563 -7.501175 21.61889 
1 1 1   10  -22    5 o   75.283   14.480   74.774   26.233   61.848   32.379   99.466   44.752   67.911   18.562   85.448   21.099 -17.53627 28.10216 
1 1 1   10  -22    6 o  170.618   16.416  378.788   69.081  400.644  101.257  359.758   94.485  171.591   24.311  162.639   23.984 8.951950 34.15042 
1 1 1   10  -22    7 o   93.909   13.418  114.900   30.571  137.937   37.657   70.362   52.359  102.514   15.168   73.204   24.423 29.31042 28.74981 
1 1 1   10  -22    8 o   62.030   16.218   51.755   25.406   72.269   29.409  -8.5841   50.439   73.243   16.478   48.353   21.341 24.88987 26.96224 
1 1 1   10  -22    9 o   40.378   15.107   16.493   20.529  -6.5248   22.530  129.078   49.827   31.989   14.184   96.406   21.268 -64.41623 25.56365 
1 1 1   10  -22   10 o  102.017   12.754  135.898   31.782  145.628   38.006  113.269   57.959  104.846   14.939   88.503   25.079 16.34315 29.19130 
1 1 1   10  -22   11 o   72.961   18.322   74.004   33.336   87.683   35.319 -37.6501  100.908   79.529   18.181   61.238   28.266 18.29184 33.60764 
1 1 1   10  -22   12 f   81.144   14.253   88.590   27.827   76.540   31.561  130.668   58.976   74.168   17.349   93.477   24.841 -19.30946 30.29961 
1 1 1   10  -22   13 o   80.452   15.530   88.886   30.070  114.900   34.860   13.267   59.435   91.598   15.812   55.006   23.736 36.59105 28.52037 
1 1 1   10  -22   14 o   99.342   13.366  132.514   32.318  137.033   37.462  119.367   63.898   99.887   15.523   86.120   26.828 13.76652 30.99529 
1 1 1   10  -22   15 o   59.080   22.624   45.801   46.670   98.147   70.077   4.0767   62.564   77.231   28.082   52.694   23.484 24.53667 36.60704 
1 1 1   10  -22   16 o   77.203   23.950   96.344   50.984   82.320   72.988  109.708   71.247   71.459   28.037   79.224   28.381 -7.764786 39.89422 
1 1 1   10  -22   17 o   35.874   17.227 -47.3201   44.817 -22.4246   66.377 -68.1785   60.757   48.151   22.463   40.199   19.489 7.952400 29.73885 
1 1 1   10  -22   18 o   75.006   24.739   97.143   53.776  123.167   79.960   75.651   72.665   78.968   29.762   67.305   27.432 11.66222 40.47583 
1 1 1   10  -21    0 o  128.719   10.258  210.015   32.698  279.365   47.036  145.158   45.486  148.008   12.854  105.026   17.991 42.98227 22.11062 
1 1 1   10  -21    1 o  241.319   14.818  743.774   88.862  802.730  124.309  682.165  127.076  248.396   20.216  227.688   22.650 20.70779 30.35981 
1 1 1   10  -21    2 o   76.234   17.174   77.321   31.910  174.857   41.667 -61.0057   49.621  116.344   14.668   38.897   18.528 77.44675 23.63097 
1 1 1   10  -21    3 o  105.134   11.332  141.240   29.281  160.983   39.825  118.010   43.199  111.525   14.655   94.056   19.045 17.46893 24.03076 
1 1 1   10  -21    4 o  107.255   11.339  147.006   29.908  135.469   40.067  161.524   44.945  101.660   16.336  111.089   16.720 -9.429474 23.37571 
1 1 1   10  -21    5 o  119.922   11.446  183.573   33.860  193.492   45.077  170.729   51.294  122.200   15.092  113.559   18.742 8.641853 24.06331 
1 1 1   10  -21    6 o  204.741   10.214  529.325   52.221  526.910   71.756  532.043   76.141  202.732   14.265  203.405   15.098 -0.6733398 20.77089 
1 1 1   10  -21    7 o  120.135   11.465  184.518   33.978  215.569   44.550  141.335   52.536  129.228   14.030  102.060   21.302 27.16856 25.50727 
1 1 1   10  -21    8 o  214.308   15.855  594.326   84.249  759.029  121.497  441.783  116.926  239.617   20.502  178.672   27.053 60.94537 33.94401 
1 1 1   10  -21    9 o  103.067   12.896  137.603   32.464  145.550   39.755  121.693   56.247  105.206   15.605   93.382   23.992 11.82418 28.62056 
1 1 1   10  -21   10 o   77.931   14.159   80.355   26.540   81.176   30.847   78.017   52.071   77.705   16.412   75.763   24.298 1.942245 29.32133 
1 1 1   10  -21   11 o  141.596   11.478  257.634   40.235  288.272   51.077  207.537   65.313  148.880   13.899  122.323   22.199 26.55651 26.19134 
1 1 1   10  -21   12 o   55.737   15.834   41.869   23.073   38.534   25.701   55.721   52.380   54.047   17.043   66.641   24.271 -12.59371 29.65730 
1 1 1   10  -21   13 o   53.720   16.977   38.403   25.492   30.798   26.145  184.968  114.775   49.757   17.245  104.954   36.146 -55.19718 40.04937 
1 1 1   10  -21   14 o   66.927   15.764   61.771   25.912   71.830   29.149   23.871   56.581   71.981   16.561   57.044   23.819 14.93661 29.01009 
1 1 1   10  -21   15 o   65.898   15.554   60.332   25.183   61.019   28.005   57.433   57.566   65.838   16.937   65.970   25.159 -0.1324310 30.32845 
1 1 1   10  -21   16 o   75.423   14.926   78.758   27.118   72.705   30.383  102.468   60.132   71.364   17.242   80.080   26.148 -8.716118 31.32060 
1 1 1   10  -21   17 o   78.909   23.637   98.703   50.236  153.239   75.082   54.500   67.596   93.391   29.080   64.671   26.420 28.72060 39.28906 
1 1 1   10  -21   18 o   60.343   23.027   51.669   48.245   57.827   70.609   46.277   66.074   64.812   26.797   61.465   25.708 3.347610 37.13460 
1 1 1   10  -21   19 o   49.870   21.693   15.401   50.451   75.812   82.207 -21.0991   63.900   68.607   28.684   47.347   22.072 21.25943 36.19310 
1 1 1   10  -21   20 o   48.842   21.363   14.992   49.513   71.508   69.113 -44.5992   70.968   65.617   26.750   45.769   21.899 19.84723 34.57053 
1 1 1   10  -20    0 o  292.902   11.389  1082.20   83.303  1138.64  118.555  1027.17  117.076  298.583   15.958  283.279   16.623 15.30466 23.04300 
1 1 1   10  -20    1 o  213.870   10.122  575.885   54.059  636.056   77.217  518.045   75.707  223.535   13.902  201.270   15.174 22.26561 20.57980 
1 1 1   10  -20    2 o  140.858   9.9866  251.030   34.900  362.727   50.180  146.378   48.571  169.021   11.966  105.154   19.205 63.86759 22.62778 
1 1 1   10  -20    3 o  103.298   13.522  137.525   34.043   76.693   44.465  223.686   52.919   75.918   22.109  131.352   16.497 -55.43391 27.58597 
1 1 1   10  -20    4 o  271.913   15.910  947.130  107.558  1062.82  150.212  825.402  154.081  285.345   21.233  249.113   25.111 36.23247 32.88454 
1 1 1   10  -20    5 o  307.944   11.940  1199.80   91.816  1238.45  129.343  1160.53  130.358  310.486   16.744  300.160   17.467 10.32523 24.19614 
1 1 1   10  -20    6 f  150.356   10.471  286.619   39.071  346.406   53.443  217.979   57.264  164.697   13.103  128.887   18.306 35.81012 22.51224 
1 1 1   10  -20    7 o  218.719   10.701  604.309   58.450  645.726   80.819  558.892   84.633  224.574   14.489  208.123   16.418 16.45050 21.89655 
1 1 1   10  -20    8 o   99.871   12.254  128.352   29.919  118.961   37.639  144.472   49.313   94.979   16.466  103.869   19.733 -8.889664 25.70081 
1 1 1   10  -20    9 o  168.805   10.392  361.539   43.591  385.346   57.372  329.026   67.047  173.416   13.351  158.814   17.180 14.60228 21.75769 
1 1 1   10  -20   10 o  196.626   15.597  500.311   75.957  573.924  110.350  434.031  104.710  207.458   21.618  178.801   24.062 28.65742 32.34708 
1 1 1   10  -20   11 o   62.879   15.560   52.980   24.300   50.968   27.722   59.654   50.489   61.696   17.297   68.826   23.958 -7.130112 29.54959 
1 1 1   10  -20   12 o   51.240   15.933   34.120   22.549   40.824   25.252   7.7406   50.094   55.594   16.782   52.029   22.105 3.565620 27.75416 
1 1 1   10  -20   13 o   93.370   12.852  114.000   29.171  124.758   34.017   84.109   56.703   97.198   14.455   77.761   25.391 19.43669 29.21752 
1 1 1   10  -20   14 o   85.204   16.933   98.936   34.760   90.529   36.427  184.506  116.217   80.877   18.445  106.101   36.382 -25.22385 40.79075 
1 1 1   10  -20   15 o  121.955   12.272  194.207   36.865  200.821   43.744  177.996   68.483  122.987   14.523  109.280   25.552 13.70696 29.39116 
1 1 1   10  -20   16 o   78.245   15.275   83.787   28.775  107.289   32.904   7.3584   59.337   88.731   15.409   53.828   23.469 34.90297 28.07510 
1 1 1   10  -20   17 o  104.603   14.102  147.560   35.896  164.212   42.525  106.285   66.951  109.291   16.061   81.602   27.616 27.68919 31.94685 
1 1 1   10  -20   18 o   36.045   14.574   9.7280   20.318   2.7314   21.769   57.021   56.598   34.015   14.515   64.380   24.847 -30.36458 28.77638 
1 1 1   10  -20   19 o  100.573   30.413  184.754   82.879  184.754   82.879   0.0000   0.0000  100.573   30.413  ?   ?  0.000000 30.41312 
1 1 1   10  -20   20 o   39.459   18.407 -24.7678   44.559 -82.6086   65.386   25.387   60.887   40.536   19.778   55.362   23.956 -14.82621 31.06598 
1 1 1   10  -20   21 o   44.121   19.879  -2.4636   46.183   4.5877   68.354  -8.3860   62.644   52.406   23.839   48.657   22.391 3.748196 32.70566 
1 1 1   10  -20   22 o   52.100   23.721   9.4722   67.869   0.0000   0.0000   9.4722   67.869  ?   ?    52.100   23.721 0.000000 23.72111 
1 1 1   10  -19    0 o  180.286   9.3177  409.475   41.806  482.162   60.819  344.372   57.559  194.999   12.557  164.290   14.168 30.70865 18.93176 
1 1 1   10  -19    1 o  175.519   9.5716  388.442   41.794  436.156   60.215  344.087   58.057  185.258   13.100  164.148   14.306 21.11032 19.39829 
1 1 1   10  -19    2 o  108.663   10.530  150.061   28.214  152.410   40.155  147.771   39.650  108.504   15.240  106.793   15.306 1.710251 21.59903 
1 1 1   10  -19    3 o  208.199   9.8369  545.444   51.143  557.329   72.543  533.700   72.112  209.191   13.967  204.622   14.200 4.568970 19.91820 
1 1 1   10  -19    4 o  162.307   9.8050  332.727   39.554  380.772   56.127  285.324   55.750  172.931   13.094  149.018   15.194 23.91243 20.05796 
1 1 1   10  -19    5 o  217.740   14.410  604.987   77.911  666.380  107.426  536.861  113.163  226.751   19.151  201.773   22.863 24.97804 29.82375 
1 1 1   10  -19    6 o  139.692   13.939  250.179   47.976  312.750   63.594  167.527   73.090  155.546   16.630  110.298   26.800 45.24800 31.54030 
1 1 1   10  -19    7 o  249.401   10.953  785.272   68.213  847.244   95.372  720.372   97.600  257.451   14.898  236.648   16.621 20.80359 22.32089 
1 1 1   10  -19    8 o  279.614   11.726  989.232   81.876  1068.82  114.287  905.316  117.353  288.642   15.917  264.656   17.861 23.98557 23.92449 
1 1 1   10  -19    9 o  173.625   10.649  382.134   45.949  446.105   62.467  306.717   67.827  186.835   13.479  153.245   18.072 33.58939 22.54499 
1 1 1   10  -19   10 f  188.719   10.392  451.209   48.786  453.116   65.319  448.802   73.367  188.020   14.013  186.425   15.912 1.594772 21.20250 
1 1 1   10  -19   11 o  184.464   15.374  439.359   70.174  543.185  102.108  346.426   96.604  202.798   20.441  159.283   25.119 43.51515 32.38564 
1 1 1   10  -19   12 o  254.385   11.252  821.166   71.475  843.081   95.491  793.245  107.783  255.758   15.017  246.617   17.617 9.141174 23.14941 
1 1 1   10  -19   13 o  192.615   11.025  472.831   52.809  495.492   68.773  440.271   82.437  195.925   14.152  182.618   18.324 13.30734 23.15263 
1 1 1   10  -19   14 o   95.635   12.226  118.773   28.530  103.090   33.083  164.279   56.354   87.929   15.640  109.056   21.457 -21.12665 26.55235 
1 1 1   10  -19   15 o  103.240   13.504  139.810   33.979  197.493   40.621   5.3927   62.008  122.991   13.445   55.828   24.167 67.16263 27.65534 
1 1 1   10  -19   16 o  144.661   15.184  277.265   54.034  249.987   59.114  415.830  133.234  135.821   17.862  161.046   34.187 -25.22499 38.57186 
1 1 1   10  -19   17 f  106.287   13.184  149.354   34.241  157.293   40.189  128.330   65.401  108.110   15.315   91.425   26.868 16.68578 30.92633 
1 1 1   10  -19   18 o  166.951   20.683  396.787   84.382   0.0000   0.0000  396.787   84.382  ?   ?   166.951   20.683 0.000000 20.68258 
1 1 1   10  -19   19 o   81.417   15.621   92.144   30.605   94.836   33.409   78.097   76.320   81.968   16.884   72.878   28.646 9.090469 33.25097 
1 1 1   10  -19   20 o   44.073   19.557  -1.4259   42.919   38.626   61.733 -38.8993   59.712   59.820   24.920   44.285   20.864 15.53443 32.50132 
1 1 1   10  -19   21 o   47.970   20.640   13.057   44.675   40.789   65.505 -11.0605   61.087   60.241   25.419   48.684   22.295 11.55699 33.81097 
1 1 1   10  -19   22 o   60.339   23.255   53.189   49.521   67.318   72.255   40.673   68.005   66.229   27.215   59.704   25.570 6.525158 37.34313 
1 1 1   10  -19   23 o   60.035   23.651   54.606   52.134  136.592   76.535 -16.3671   71.210   82.550   29.432   49.461   23.138 33.08939 37.43764 
1 1 1   10  -18    0 o  536.816   17.441  3671.23  233.807  3745.61  331.233  3597.36  330.076  536.870   24.707  525.774   25.140 11.09631 35.24817 
1 1 1   10  -18    1 o  335.265   17.800  1438.02  148.492  1464.25  211.684  1412.61  208.354  334.118   25.565  328.105   25.633 6.013184 36.20252 
1 1 1   10  -18    2 o  483.505   15.880  2971.86  191.731  3007.47  271.543  2936.45  270.756  482.042   22.558  476.157   22.771 5.885162 32.05272 
1 1 1   10  -18    3 o  277.627   10.897  970.889   75.550  889.181  107.077  1051.89  106.611  263.775   16.336  287.516   14.900 -23.74109 22.11071 
1 1 1   10  -18    4 o  179.917   9.5874  408.168   42.919  475.461   61.250  343.250   60.159  193.526   12.745  163.772   14.872 29.75401 19.58630 
1 1 1   10  -18    5 o  157.015   9.5673  311.196   37.334  315.983   52.687  306.368   52.911  157.380   13.538  154.879   13.826 2.500397 19.35009 
1 1 1   10  -18    6 o  161.523   9.9049  329.587   39.759  365.784   55.464  291.328   57.023  169.455   13.212  150.553   15.383 18.90204 20.27793 
1 1 1   10  -18    7 o  396.225   19.405  2023.10  192.003  1925.43  269.165  2124.28  273.965  378.800   28.667  398.893   27.675 -20.09305 39.84593 
1 1 1   10  -18    8 o  427.313   14.673  2323.32  156.578  2388.61  220.900  2257.39  221.972  429.395   20.601  416.345   21.422 13.04993 29.72069 
1 1 1   10  -18    9 o  299.760   12.149  1137.24   90.944  1218.82  127.411  1052.52  129.852  308.110   16.621  285.413   18.316 22.69705 24.73317 
1 1 1   10  -18   10 o  357.145   12.818  1618.06  114.314  1596.32  160.129  1640.66  163.245  351.446   18.309  356.237   18.413 -4.790558 25.96686 
1 1 1   10  -18   11 o  103.910   11.832  138.434   30.154  168.516   37.525   83.599   50.663  114.391   13.390   78.933   23.758 35.45744 27.27151 
1 1 1   10  -18   12 o  133.231   10.880  225.947   35.883  234.782   45.307  211.079   58.775  135.115   13.613  126.210   19.259 8.904907 23.58422 
1 1 1   10  -18   13 o  200.221   15.579  517.943   77.281  482.834  109.920  552.261  108.673  189.143   23.799  203.674   21.701 -14.53073 32.20745 
1 1 1   10  -18   14 o  266.667   11.801  904.474   78.584  989.595  106.564  803.006  116.348  276.721   15.483  247.062   19.004 29.65871 24.51297 
1 1 1   10  -18   15 o  107.302   11.688  148.380   30.811  145.108   36.395  156.659   57.887  105.332   14.198  106.263   22.514 -0.9313049 26.61751 
1 1 1   10  -18   16 o  102.794   12.647  137.531   31.780  124.109   37.290  173.151   60.746   96.397   16.056  111.182   22.648 -14.78522 27.76223 
1 1 1   10  -18   17 o   68.103   15.447   62.971   25.665   57.222   28.846   84.813   56.226   64.563   17.468   77.386   25.285 -12.82309 30.73200 
1 1 1   10  -18   18 o   55.984   17.782   42.118   27.940   45.453   28.574 -30.5771  133.404   57.833   17.928   69.581   32.251 -11.74812 36.89920 
1 1 1   10  -18   19 o  138.530   12.407  251.803   42.465  278.676   51.131  192.055   76.241  144.641   14.345  110.673   27.663 33.96799 31.16098 
1 1 1   10  -18   20 o  112.487   12.525  167.845   34.584  172.510   40.107  154.319   68.293  112.933   14.561   97.998   27.030 14.93487 30.70222 
1 1 1   10  -18   21 f   59.528   16.349   50.325   25.046   61.633   27.527  -4.0822   60.378   65.682   16.735   50.549   22.757 15.13219 28.24748 
1 1 1   10  -18   22 f   54.741   22.019   34.277   46.125   79.040   67.533  -4.8626   63.149   70.728   27.184   50.728   23.013 20.00058 35.61713 
1 1 1   10  -18   23 o   95.410   23.065  145.652   54.348  133.370   78.456  156.985   75.358   84.212   29.823   92.241   29.194 -8.029480 41.73330 
1 1 1   10  -18   24 o   87.775   24.424  131.076   55.494  114.033   80.337  146.630   76.747   76.671   29.600   86.473   29.566 -9.802216 41.83654 
1 1 1   10  -18   25 o   72.231   25.023   94.210   55.046  141.723   80.186   51.864   75.701   81.625   29.984   60.799   26.508 20.82571 40.02153 
1 1 1   10  -17    0 o  395.215   13.750  1972.39  135.702  1984.64  192.502  1960.29  191.328  394.183   19.556  391.756   19.557 2.427002 27.65757 
1 1 1   10  -17    1 o  269.214   10.731  911.485   72.141  975.169  103.080  850.347  100.999  277.138   14.950  258.512   15.720 18.62680 21.69365 
1 1 1   10  -17    2 o  171.335   9.3806  369.729   39.983  335.892   57.412  401.594   55.714  162.326   14.310  177.982   12.617 -15.65619 19.07778 
1 1 1   10  -17    3 f  417.707   20.562  2241.43  214.476  2278.62  304.664  2204.90  301.984  414.064   29.661  407.071   29.917 6.992798 42.12846 
1 1 1   10  -17    4 o  172.339   9.3238  374.202   39.977  379.295   56.781  369.197   56.293  172.726   13.266  170.381   13.337 2.344757 18.81110 
1 1 1   10  -17    5 o  150.218   9.4967  284.733   35.441  290.483   50.207  279.023   50.035  150.947   13.461  147.861   13.707 3.086227 19.21123 
1 1 1   10  -17    6 o   94.284   10.781  113.400   24.927  127.483   34.582   98.167   35.964   99.287   14.365   86.231   17.303 13.05560 22.48914 
1 1 1   10  -17    7 o  291.604   11.425  1072.70   83.199  1173.23  117.277  970.855  118.048  303.270   15.538  275.109   17.271 28.16150 23.23159 
1 1 1   10  -17    8 o   95.198   11.116  115.804   25.929  112.548   34.172  120.222   39.809   92.915   15.257   95.584   17.315 -2.668999 23.07833 
1 1 1   10  -17    9 o   95.446   14.739  118.389   33.998  135.428   41.880   85.458   58.220  101.603   17.114   80.754   25.671 20.84834 30.85306 
1 1 1   10  -17   10 o  137.204   9.7823  238.206   33.297  206.265   43.944  281.268   51.024  126.672   14.133  148.197   13.952 -21.52514 19.85915 
1 1 1   10  -17   11 o  247.108   10.815  770.690   66.736  813.250   92.365  724.204   96.532  252.283   14.725  237.375   16.385 14.90872 22.02966 
1 1 1   10  -17   12 f  113.581   11.208  164.576   31.374  180.637   39.495  137.104   51.652  118.480   13.595  100.878   21.179 17.60183 25.16653 
1 1 1   10  -17   13 o  173.746   10.246  382.323   44.257  357.204   57.593  418.544   69.160  166.912   13.945  180.226   15.518 -13.31352 20.86346 
1 1 1   10  -17   14 o   95.720   12.503  118.277   29.172  146.483   35.108   55.367   52.431  106.423   13.515   68.198   24.355 38.22488 27.85404 
1 1 1   10  -17   15 o  210.477   15.614  572.860   81.484  561.389  115.099  584.387  115.374  204.376   22.949  208.853   22.475 -4.477509 32.12162 
1 1 1   10  -17   16 o  105.575   12.615  144.191   32.599  153.213   39.125  123.708   58.952  108.169   14.878   93.803   24.792 14.36534 28.91393 
1 1 1   10  -17   17 o  224.665   16.999  663.569   94.662   0.0000   0.0000  663.569   94.662  ?   ?   224.665   16.999 0.000000 16.99864 
1 1 1   10  -17   18 o  192.163   14.120  481.111   67.282  481.111   67.282   0.0000   0.0000  192.163   14.120  ?   ?  0.000000 14.11980 
1 1 1   10  -17   19 o  127.333   15.997  216.895   49.743  208.454   53.108  277.240  142.001  123.924   17.661  124.027   40.162 -0.1025620 43.87382 
1 1 1   10  -17   20 o   63.580   15.871   55.839   25.120   64.970   27.849   15.972   58.189   68.429   16.491   55.629   23.734 12.79953 28.90141 
1 1 1   10  -17   21 o   73.496   14.842   74.204   26.301   78.446   29.193   55.923   60.607   75.100   16.053   65.947   25.639 9.153351 30.25023 
1 1 1   10  -17   22 o   75.499   15.540   79.531   28.321   87.078   31.719   49.859   62.892   78.503   16.694   63.707   25.681 14.79581 30.63043 
1 1 1   10  -17   23 o   94.826   22.280  138.332   51.865  215.594   76.173   71.554   70.816  114.120   27.128   69.404   27.493 44.71622 38.62387 
1 1 1   10  -17   24 o   52.236   21.659   26.764   46.318  130.216   67.319 -66.2336   63.827   86.119   27.629   41.909   20.234 44.20967 34.24567 
1 1 1   10  -17   25 o   92.863   24.194  143.621   56.667  174.618   80.636  113.375   79.652   94.887   30.217   77.357   29.572 17.53001 42.27932 
1 1 1   10  -17   26 o   76.104   25.492  104.481   57.043  187.359   84.716   35.737   77.156   94.436   31.046   58.602   26.101 35.83372 40.55976 
1 1 1   10  -16    0 o  375.732   13.119  1778.54  123.094  1818.75  174.660  1738.85  173.507  378.298   18.489  369.306   18.877 8.992310 26.42306 
1 1 1   10  -16    1 o  460.594   15.521  2684.19  178.517  2650.01  252.817  2718.19  252.107  454.492   22.276  460.494   21.924 -6.002258 31.25446 
1 1 1   10  -16    2 o  178.326   9.2382  400.092   40.998  469.195   59.470  337.506   56.596  192.589   12.432  162.887   14.051 29.70224 18.76159 
1 1 1   10  -16    3 o  223.702   9.9758  628.671   55.727  670.831   79.674  588.290   77.974  230.006   13.937  215.174   14.598 14.83276 20.18274 
1 1 1   10  -16    4 o  259.710   10.540  848.233   68.359  903.611   97.374  794.418   95.991  266.775   14.673  249.855   15.461 16.91978 21.31508 
1 1 1   10  -16    5 o   82.145   18.000   89.313   35.904   71.829   53.571  103.572   48.377   75.403   24.683   87.960   22.063 -12.55640 33.10617 
1 1 1   10  -16    6 o  107.501   9.9942  146.536   26.522  147.411   37.405  145.650   37.612  106.966   14.366  106.271   14.556 0.6946793 20.45137 
1 1 1   10  -16    7 o  294.864   11.412  1095.98   84.032  1205.35  118.905  986.851  118.774  307.617   15.529  277.628   17.217 29.98923 23.18567 
1 1 1   10  -16    8 o  217.190   9.5756  593.102   51.935  575.339   72.641  611.674   74.280  212.706   13.749  219.380   13.626 -6.674103 19.35768 
1 1 1   10  -16    9 o  333.057   12.173  1401.25  101.246  1412.39  142.521  1389.90  143.856  332.033   17.248  329.220   17.562 2.813049 24.61527 
1 1 1   10  -16   10 o  318.331   11.729  1279.48   93.235  1277.04  130.848  1282.00  132.883  315.843   16.649  316.348   16.882 -0.5053101 23.71049 
1 1 1   10  -16   11 o  111.698   14.445  161.020   39.348  193.105   49.124  103.588   65.724  121.913   16.565   87.999   27.175 33.91428 31.82600 
1 1 1   10  -16   12 o  230.039   10.557  667.278   60.647  706.240   83.535  623.854   88.189  235.295   14.284  220.443   16.132 14.85236 21.54746 
1 1 1   10  -16   13 o   85.968   12.353   95.420   25.757   95.426   30.894   95.408   46.647   85.337   15.047   83.998   21.983 1.339035 26.63975 
1 1 1   10  -16   14 o   26.084   11.684  -6.8582   15.696  -3.9094   16.936 -24.8168   41.794   28.403   12.457   40.638   18.546 -12.23458 22.34086 
1 1 1   10  -16   15 o  242.340   11.399  743.492   68.985  802.765   93.393  672.322  102.338  250.137   15.021  227.410   18.173 22.72777 23.57711 
1 1 1   10  -16   16 o  148.938   14.680  286.542   53.890  349.349   89.408  250.704   67.537  161.067   22.871  137.123   20.340 23.94373 30.60731 
1 1 1   10  -16   17 o  115.754   13.964  173.925   39.548  173.925   39.548   0.0000   0.0000  115.754   13.964  ?   ?  0.000000 13.96358 
1 1 1   10  -16   18 o   72.464   15.052   70.179   26.347   71.055   29.984   67.210   55.190   72.486   16.880   72.067   25.051 0.4180908 30.20746 
1 1 1   10  -16   19 o   58.501   16.191   46.180   24.456   68.724   27.236 -47.6346   55.561   71.320   15.716   43.274   20.305 28.04655 25.67682 
1 1 1   10  -16   20 f   72.401   14.581   70.594   25.451   69.343   28.458   75.594   56.888   71.212   16.349   73.942   25.449 -2.730072 30.24762 
1 1 1   10  -16   21 o  211.704   17.059  603.637   89.419  585.896  101.660  664.282  187.962  205.767   20.039  193.660   40.183 12.10670 44.90281 
1 1 1   10  -16   22 o  112.379   12.846  167.172   35.403  174.072   41.503  148.738   67.839  113.574   15.000   97.229   26.986 16.34525 30.87526 
1 1 1   10  -16   23 o   96.791   13.337  125.894   31.379  135.037   35.505   93.265   67.070   99.559   14.725   77.058   27.544 22.50175 31.23259 
1 1 1   10  -16   24 o   59.717   16.118   50.647   24.595   53.812   26.923   34.676   60.472   61.279   16.998   58.819   24.597 2.460171 29.89925 
1 1 1   10  -16   25 o  105.950   21.552  171.072   55.082  219.063   78.956  125.571   76.880  113.110   28.083   83.544   29.529 29.56658 40.75024 
1 1 1   10  -16   26 o   51.126   21.648   22.772   47.779   5.5043   68.126   39.487   67.027   53.123   24.020   59.500   25.432 -6.377289 34.98175 
1 1 1   10  -16   27 o  104.366   23.123  178.758   58.677  214.842   84.321  144.881   81.703  104.141   30.480   83.958   30.353 20.18286 43.01578 
1 1 1   10  -16   28 o   59.752   24.042   57.220   55.010   73.213   78.214   41.565   77.385   64.466   27.511   58.462   26.082 6.003155 37.90924 
1 1 1   10  -15    0 o  140.501   11.098  249.334   38.622  244.848   49.535  256.290   61.680  138.657   14.522  141.201   17.894 -2.544617 23.04517 
1 1 1   10  -15    1 o  143.091   9.1461  257.694   32.510  272.002   47.352  244.936   44.714  146.436   13.087  138.907   13.043 7.529602 18.47701 
1 1 1   10  -15    2 o  252.837   10.436  802.586   65.890  825.452   93.921  780.426   92.460  255.294   14.796  248.163   14.990 7.130981 21.06240 
1 1 1   10  -15    3 o  326.331   11.814  1339.72   96.273  1403.84  136.699  1276.61  135.610  332.879   16.445  316.776   17.208 16.10233 23.80198 
1 1 1   10  -15    4 o  512.700   16.696  3335.02  213.755  3423.06  302.701  3247.45  301.892  515.412   23.518  501.627   24.100 13.78461 33.67393 
1 1 1   10  -15    5 o  311.525   11.664  1221.85   90.736  1177.14  128.601  1266.17  128.040  303.907   17.014  315.479   16.308 -11.57260 23.56766 
1 1 1   10  -15    6 o  176.016   9.2908  390.054   40.692  415.949   57.940  364.850   57.163  181.107   12.896  169.401   13.628 11.70580 18.76233 
1 1 1   10  -15    7 o  314.612   17.047  1263.59  133.428  1269.17  189.372  1258.10  188.025  311.701   24.527  310.370   24.458 1.331116 34.63780 
1 1 1   10  -15    8 o  273.912   10.636  944.276   72.748  975.644  102.709  912.697  103.055  276.988   14.904  267.685   15.483 9.302582 21.49062 
1 1 1   10  -15    9 o  276.759   10.998  964.865   76.008  957.530  106.873  972.372  108.120  274.038   15.682  276.136   15.745 -2.098633 22.22243 
1 1 1   10  -15   10 o   64.095   13.178   53.826   20.387   48.663   26.017   62.039   32.815   60.815   16.646   68.466   18.676 -7.650173 25.01748 
1 1 1   10  -15   11 o  336.871   12.566  1434.59  105.707  1563.47  148.875  1303.54  150.118  349.876   17.039  318.099   18.985 31.77670 25.51005 
1 1 1   10  -15   12 o  296.747   11.439  1111.28   84.769  1122.09  118.508  1099.96  121.302  296.250   16.079  293.061   16.644 3.188385 23.14231 
1 1 1   10  -15   13 o  279.074   16.444  998.116  114.093  1059.25  155.662  927.146  167.715  284.647   22.072  264.068   25.761 20.57889 33.92359 
1 1 1   10  -15   14 o  343.087   12.515  1490.42  107.221  1507.15  149.371  1472.64  154.002  342.316   17.533  337.912   18.319 4.403748 25.35686 
1 1 1   10  -15   15 o  119.431   10.959  181.592   32.319  177.635   40.208  188.815   54.325  117.405   13.990  119.681   18.797 -2.275848 23.43125 
1 1 1   10  -15   16 o  277.373   17.428  993.949  120.102   0.0000   0.0000  993.949  120.102  ?   ?   277.373   17.428 0.000000 17.42801 
1 1 1   10  -15   17 o  111.869   14.303  162.245   39.043  162.245   39.043   0.0000   0.0000  111.869   14.303  ?   ?  0.000000 14.30342 
1 1 1   10  -15   18 f  236.535   15.814  723.591   92.870  836.443  131.471  611.196  131.204  251.056   21.168  211.685   25.323 39.37111 33.00508 
1 1 1   10  -15   19 o  228.456   11.500  665.906   65.398  694.073   85.462  626.108  101.588  231.617   14.854  217.614   18.881 14.00302 24.02392 
1 1 1   10  -15   20 o   83.444   13.533   91.740   27.233   93.486   31.009   85.855   56.945   83.654   15.412   78.635   25.430 5.019020 29.73568 
1 1 1   10  -15   21 o  133.148   12.022  229.532   39.541  261.005   47.620  159.660   70.954  141.342   13.662  103.683   27.101 37.65887 30.35024 
1 1 1   10  -15   22 o   44.488   15.606   23.880   21.441   31.309   22.963 -26.6437   59.883   49.167   16.163   48.061   22.033 1.105682 27.32626 
1 1 1   10  -15   23 o   46.543   16.178   27.076   23.019   27.649   23.220  -5.5888  175.344   46.915   16.252   77.420   36.246 -30.50474 39.72250 
1 1 1   10  -15   24 o   52.306   16.070   37.550   23.016   42.539   24.997   9.7720   58.987   55.336   16.696   53.573   23.377 1.763344 28.72710 
1 1 1   10  -15   25 o   85.880   14.375  101.116   29.739  103.594   33.563   92.064   64.149   85.947   16.233   75.948   26.959 9.998367 31.46934 
1 1 1   10  -15   26 o   72.852   23.284   83.356   47.845   96.595   66.639   69.270   68.736   76.191   27.431   68.399   27.089 7.791862 38.55273 
1 1 1   10  -15   27 o   40.693   18.607 -13.1311   42.323 -22.7627   63.520  -5.4412   56.757   47.380   22.060   47.973   21.784 -0.5922241 31.00332 
1 1 1   10  -15   28 o   75.769   24.093   97.668   51.279  106.905   74.462   89.336   70.722   75.317   28.640   70.823   27.651 4.493210 39.81001 
1 1 1   10  -15   29 o   37.917   18.065 -35.7077   47.225 -47.5443   69.067 -25.3147   64.718   44.252   21.285   45.713   21.593 -1.461262 30.32013 
1 1 1   10  -14    0 o  186.583   9.4027  437.174   43.669  509.116   63.172  371.334   60.434  200.952   12.653  171.240   14.263 29.71182 19.06644 
1 1 1   10  -14    1 o  345.124   17.211  1504.54  148.332  1653.89  210.692  1357.78  208.866  359.306   23.613  324.522   25.992 34.78409 35.11630 
1 1 1   10  -14    2 o  158.568   12.459  317.927   48.937  359.932   70.557  278.987   67.933  167.914   17.064  147.210   18.917 20.70413 25.47627 
1 1 1   10  -14    3 o  373.544   13.147  1756.13  122.639  1784.01  173.967  1728.58  172.914  375.021   18.576  368.609   18.848 6.412354 26.46382 
1 1 1   10  -14    4 o  253.708   10.088  807.780   63.914  897.798   91.480  721.936   89.334  266.539   13.791  238.648   15.068 27.89108 20.42622 
1 1 1   10  -14    5 o  156.968   8.9776  309.975   35.044  364.036   50.388  259.329   48.771  169.683   11.968  142.728   13.858 26.95515 18.31100 
1 1 1   10  -14    6 o  171.140   9.1843  368.524   39.107  388.748   55.741  348.921   54.881  175.161   12.833  165.791   13.370 9.370728 18.53174 
1 1 1   10  -14    7 o  151.326   9.2750  288.499   34.880  309.657   49.363  267.402   49.292  156.195   12.767  144.865   13.792 11.33003 18.79462 
1 1 1   10  -14    8 o  303.291   11.361  1158.12   86.048  1219.43  121.920  1097.27  121.462  309.629   15.821  293.379   16.648 16.25061 22.96630 
1 1 1   10  -14    9 o  336.461   17.755  1447.46  148.646  1369.58  210.445  1524.99  209.991  322.762   26.340  341.647   24.782 -18.88550 36.16520 
1 1 1   10  -14   10 o   75.273   11.763   73.096   21.388   74.304   28.225   71.466   32.777   75.167   15.550   73.390   18.017 1.776688 23.79985 
1 1 1   10  -14   11 o  328.845   12.284  1365.25  100.872  1421.42  142.115  1308.22  143.202  333.405   17.127  319.411   18.027 13.99356 24.86596 
1 1 1   10  -14   12 o  134.878   9.3695  229.747   31.362  221.668   41.769  240.190   47.485  131.810   12.853  136.974   14.083 -5.163544 19.06667 
1 1 1   10  -14   13 o  336.414   12.079  1429.41  101.472  1399.73  142.186  1460.22  144.858  330.513   17.287  337.620   17.239 -7.106964 24.41395 
1 1 1   10  -14   14 o  136.185   14.283  237.903   47.851  271.924   59.531  175.791   80.437  145.011   16.748  112.814   28.533 32.19702 33.08488 
1 1 1   10  -14   15 o  297.056   18.503  1138.44  136.577  1424.34  187.848  817.835  198.924  329.607   22.966  242.616   33.747 86.99139 40.82053 
1 1 1   10  -14   16 o  313.905   14.290  1253.37  112.019  1262.08  134.053  1233.21  203.933  313.272   17.202  303.161   27.228 10.11172 32.20673 
1 1 1   10  -14   17 o  174.847   10.374  387.054   45.091  406.856   58.190  357.294   71.336  178.548   13.143  165.858   17.487 12.69029 21.87585 
1 1 1   10  -14   18 o  328.402   12.488  1369.15  102.410  1365.86  140.127  1372.91  150.040  325.127   17.322  325.165   18.555 -0.3811646E-01 25.38340 
1 1 1   10  -14   19 o  265.037   11.241  890.461   74.396  880.433   99.083  903.421  112.638  261.492   15.240  263.818   17.191 -2.325470 22.97373 
1 1 1   10  -14   20 o   95.701   19.871  124.546   45.936  117.503   63.936  132.060   66.040   91.293   26.490   96.506   26.564 -5.213493 37.51543 
1 1 1   10  -14   21 o  163.747   11.427  343.527   46.434  356.685   57.423  318.670   78.927  165.831   13.997  153.063   21.220 12.76787 25.42086 
1 1 1   10  -14   22 o   59.025   15.445   47.160   23.028   47.673   25.210   44.576   56.581   59.303   16.448   64.104   24.815 -4.800430 29.77081 
1 1 1   10  -14   23 o   96.520   12.860  122.595   30.225  133.693   34.451   85.500   62.983  100.349   14.140   77.429   26.770 22.91978 30.27486 
1 1 1   10  -14   24 o   51.358   17.328   34.337   26.357   37.598   26.642 -115.6696  180.701   53.146   17.407   70.265   33.954 -17.11864 38.15622 
1 1 1   10  -14   25 o   89.172   13.261  106.628   28.630  110.153   32.500   94.414   60.500   89.833   15.018   78.234   26.253 11.59867 30.24488 
1 1 1   10  -14   26 o  126.467   12.034  211.553   37.547  226.397   43.945  171.421   72.259  129.771   13.771  102.029   27.664 27.74184 30.90254 
1 1 1   10  -14   27 o   65.430   16.453   61.255   26.855   76.462   30.055   1.0364   59.810   73.050   16.823   51.060   22.843 21.98967 28.36987 
1 1 1   10  -14   28 o   55.391   21.976   38.002   45.306   93.377   66.652  -9.5624   61.772   74.235   27.326   49.110   22.464 25.12477 35.37474 
1 1 1   10  -14   29 o  129.951   20.029  255.931   62.909  311.762   91.115  205.074   86.962  132.476   28.396  101.547   31.243 30.92907 42.21898 
1 1 1   10  -14   30 o   37.132   17.768 -40.3930   46.745 -99.3946   68.004   12.455   64.360   38.920   19.223   51.774   23.384 -12.85366 30.27085 
1 1 1   10  -13    0 o  607.190   19.283  4655.00  292.375  4703.68  413.856  4606.48  413.107  606.979   27.304  600.557   27.546 6.422241 38.78512 
1 1 1   10  -13    1 o  484.267   15.950  2952.34  192.881  2967.43  273.182  2937.33  272.370  483.501   22.626  481.026   22.675 2.474792 32.03227 
1 1 1   10  -13    2 f  312.709   11.489  1226.64   89.717  1276.38  127.572  1177.96  126.198  317.877   16.124  305.233   16.619 12.64401 23.15549 
1 1 1   10  -13    3 o  250.715   14.275  793.489   89.004  893.096  126.913  697.088  124.854  264.879   19.320  233.234   21.685 31.64503 29.04343 
1 1 1   10  -13    4 o  369.453   18.308  1728.31  168.909  1753.59  239.269  1703.20  238.479  368.640   26.162  363.136   26.481 5.503967 37.22454 
1 1 1   10  -13    5 o  173.421   9.2528  378.053   39.926  422.780   57.346  335.976   55.621  182.915   12.632  162.753   13.816 20.16153 18.72026 
1 1 1   10  -13    6 o  418.726   14.039  2210.86  146.798  2211.93  207.861  2209.81  207.347  416.739   19.974  416.556   19.933 0.1829224 28.21839 
1 1 1   10  -13    7 o  252.967   10.256  803.587   64.789  892.493   92.080  716.413   91.178  265.602   13.932  237.511   15.457 28.09114 20.80883 
1 1 1   10  -13    8 o  228.321   9.7637  654.531   55.668  629.365   78.722  679.702   78.732  222.760   14.226  231.664   13.670 -8.903961 19.72942 
1 1 1   10  -13    9 f  369.845   12.938  1725.66  119.489  1697.71  168.763  1753.74  169.205  364.397   18.608  370.952   18.266 -6.554230 26.07508 
1 1 1   10  -13   10 o  172.503   11.145  376.084   47.753  386.046   84.327  371.381   57.939  172.555   19.937  170.893   13.692 1.662476 24.18559 
1 1 1   10  -13   11 o  281.892   16.027  1012.69  112.356  1029.08  159.091  996.375  158.700  281.278   22.847  276.579   23.192 4.699158 32.55530 
1 1 1   10  -13   12 o  352.571   12.693  1569.94  111.754  1626.66  157.462  1512.37  158.633  356.988   17.663  343.365   18.570 13.62292 25.62853 
1 1 1   10  -13   13 o  188.057   9.7644  445.863   45.697  462.783   63.160  427.275   66.198  190.818   13.339  182.990   14.608 7.828415 19.78195 
1 1 1   10  -13   14 o  177.674   9.6075  398.080   42.468  377.585   57.680  422.343   62.760  172.187   13.523  182.063   13.909 -9.876526 19.39976 
1 1 1   10  -13   15 o  172.055   15.342  379.368   65.225   0.0000   0.0000  379.368   65.225  ?   ?   172.055   15.342 0.000000 15.34190 
1 1 1   10  -13   16 o  190.132   18.375  468.046   86.157  468.046   86.157   0.0000   0.0000  190.132   18.375  ?   ?  0.000000 18.37524 
1 1 1   10  -13   17 f   71.979   13.945   67.948   24.161   75.415   28.303   47.891   46.385   75.599   15.512   64.371   22.917 11.22777 27.67328 
1 1 1   10  -13   18 o  121.473   10.900  187.751   32.713  191.680   40.328  180.192   55.940  122.164   13.442  116.502   19.945 5.661613 24.05184 
1 1 1   10  -13   19 o  467.973   15.578  2802.99  182.052  2718.81  254.035  2891.86  261.030  455.033   22.356  469.380   22.270 -14.34674 31.55541 
1 1 1   10  -13   20 o   99.195   12.318  126.824   29.855  148.041   35.206   72.508   56.330  106.978   13.478   75.022   25.331 31.95602 28.69377 
1 1 1   10  -13   21 o  153.373   14.238  304.053   53.910  332.922   82.045  282.118   71.516  157.340   21.440  145.203   20.276 12.13707 29.50931 
1 1 1   10  -13   22 o  152.686   10.760  297.802   40.765  285.926   48.871  324.967   73.911  148.716   13.300  155.762   19.424 -7.046036 23.54109 
1 1 1   10  -13   23 o  211.872   11.393  575.653   60.055  630.711   76.141  485.012   97.694  220.403   13.905  188.492   21.118 31.91093 25.28491 
1 1 1   10  -13   24 o  116.696   11.633  176.708   33.448  178.566   39.242  171.771   63.954  116.458   13.760  108.761   24.174 7.696701 27.81572 
1 1 1   10  -13   25 o  159.042   12.024  329.470   47.402  362.130   57.837  262.644   82.731  165.502   14.130  132.417   25.947 33.08492 29.54496 
1 1 1   10  -13   26 o  188.080   16.847  482.664   78.289  428.256   82.944  926.971  237.026  174.812   19.323  212.132   46.064 -37.32014 49.95301 
1 1 1   10  -13   27 o  105.851   12.866  149.634   33.310  146.788   38.538  158.044   66.238  103.437   15.388   99.385   26.285 4.052498 30.45850 
1 1 1   10  -13   28 o   57.913   16.976   47.800   26.139   59.914   28.862  -7.4761   61.653   64.427   17.490   50.247   22.773 14.17972 28.71427 
1 1 1   10  -13   29 o  245.778   17.764  859.609  108.295  1035.19  154.954  691.958  151.413  256.269   24.512  196.306   31.989 59.96248 40.30074 
1 1 1   10  -13   30 f   62.563   23.634   59.954   50.498   37.480   72.145   81.542   70.706   59.628   25.940   69.555   27.498 -9.926308 37.80216 
1 1 1   10  -13   31 o   65.213   24.374   71.873   53.415  130.042   78.004   20.512   73.297   79.703   29.521   55.295   24.966 24.40839 38.66252 
1 1 1   10  -12    0 f  598.789   19.026  4517.58  284.489  4626.22  402.841  4409.49  401.818  603.297   26.739  588.764   27.330 14.53394 38.23502 
1 1 1   10  -12    1 o  200.441   9.5192  502.870   47.647  523.077   68.352  483.769   66.456  203.735   13.512  195.873   13.672 7.861649 19.22212 
1 1 1   10  -12    2 o  188.126   9.5190  444.191   44.573  421.960   63.806  465.382   62.294  182.771   14.088  192.145   13.060 -9.374191 19.21084 
1 1 1   10  -12    3 o  475.456   15.620  2844.47  185.455  2910.82  262.756  2778.60  261.792  479.170   21.959  468.018   22.400 11.15244 31.36790 
1 1 1   10  -12    4 o  388.959   13.512  1901.01  131.242  1961.83  186.102  1840.84  185.111  393.937   18.918  380.965   19.524 12.97125 27.18563 
1 1 1   10  -12    5 o  248.807   14.372  781.624   88.913  840.850  126.430  723.671  125.064  256.828   19.868  237.780   21.288 19.04849 29.11862 
1 1 1   10  -12    6 o  261.462   14.725  864.095   95.749  938.748  136.061  790.857  134.766  271.129   20.242  248.227   21.968 22.90184 29.87176 
1 1 1   10  -12    7 o  159.583   9.0615  320.219   35.962  353.181   51.310  288.393   50.418  167.137   12.382  150.740   13.538 16.39648 18.34623 
1 1 1   10  -12    8 o  137.921   9.2468  239.611   31.663  210.196   44.808  268.947   44.748  128.322   14.222  145.672   12.420 -17.35046 18.88191 
1 1 1   10  -12    9 o  292.013   11.095  1072.00   80.907  1063.01  114.331  1081.01  114.510  289.337   15.885  291.817   15.772 -2.479980 22.38495 
1 1 1   10  -12   10 o  276.456   10.732  960.834   74.091  978.959  104.659  942.624  104.902  277.717   15.148  272.399   15.486 5.317749 21.66281 
1 1 1   10  -12   11 o  303.821   10.950  1161.25   83.081  1119.12  117.048  1204.04  117.945  296.637   15.859  308.261   15.322 -11.62387 22.05113 
1 1 1   10  -12   12 o  189.566   13.963  456.837   65.634  506.826   93.449  408.173   92.203  198.240   19.114  177.016   21.285 21.22348 28.60771 
1 1 1   10  -12   13 o  258.270   12.176  841.395   78.531  788.946   95.415  951.535  138.267  248.874   15.429  271.413   20.553 -22.53877 25.69954 
1 1 1   10  -12   14 o  243.887   11.484  749.726   69.943  637.059  116.044  814.010   87.655  221.394   21.251  253.205   13.916 -31.81180 25.40190 
1 1 1   10  -12   15 o  176.824   10.699  395.127   47.018  369.776   55.192  462.209   89.781  170.529   13.060  188.895   19.304 -18.36557 23.30721 
1 1 1   10  -12   16 o   79.399   12.282   81.434   23.566   85.202   28.384   73.075   42.279   80.754   14.613   74.316   21.535 6.437386 26.02511 
1 1 1   10  -12   17 o  238.942   10.273  718.977   61.299  698.734   83.277  742.915   90.559  234.206   14.307  241.252   15.108 -7.045776 20.80756 
1 1 1   10  -12   18 o  307.759   16.576  1213.77  126.920  1151.51  171.041  1290.07  189.334  296.053   23.325  312.703   24.441 -16.65012 33.78424 
1 1 1   10  -12   19 o  211.039   10.665  563.267   56.021  587.517   74.052  530.819   85.660  214.607   13.893  202.839   17.070 11.76794 22.00873 
1 1 1   10  -12   20 o  281.524   11.487  1002.63   80.752  1046.61  109.101  949.343  120.090  285.797   15.343  270.930   17.850 14.86728 23.53792 
1 1 1   10  -12   21 o  152.313   11.165  295.214   42.169  327.443   52.784  238.350   70.112  159.830   13.347  133.189   21.837 26.64029 25.59302 
1 1 1   10  -12   22 o   95.701   12.101  118.260   28.274  136.994   33.286   69.727   53.575  102.786   13.279   73.282   24.705 29.50356 28.04706 
1 1 1   10  -12   23 o   50.445   19.781   22.233   36.314 -20.2587   52.436   61.394   50.339   46.834   21.134   69.184   23.932 -22.34974 31.92782 
1 1 1   10  -12   24 o  290.084   12.237  1079.31   88.645  1073.07  116.617  1087.87  136.426  285.837   16.406  285.172   19.271 0.6653748 25.30864 
1 1 1   10  -12   25 o  164.456   11.410  348.715   46.569  390.053   57.134  266.890   80.384  172.999   13.328  136.240   24.529 36.75862 27.91636 
1 1 1   10  -12   26 o  212.509   11.801  585.581   62.376  633.367   78.042  501.061  103.791  219.126   14.341  187.589   22.612 31.53729 26.77660 
1 1 1   10  -12   27 o   55.013   17.649   41.243   27.471   42.068   27.687 -10.8879  220.096   55.477   17.710   81.315   38.812 -25.83775 42.66191 
1 1 1   10  -12   28 f  136.291   12.481  245.759   42.008  276.480   49.525  166.974   79.311  143.613   13.987   99.415   29.682 44.19812 32.81221 
1 1 1   10  -12   29 o  110.075   13.226  162.977   35.628  145.425   40.562  222.241   74.535  101.950   16.496  117.974   26.001 -16.02457 30.79223 
1 1 1   10  -12   30 o  242.261   13.968  795.063   84.141  887.250  101.181  588.379  151.502  252.730   16.116  174.535   35.957 78.19524 39.40345 
1 1 1   10  -12   31 o   62.686   23.491   59.911   49.676  109.319   72.327   15.793   68.346   77.432   28.472   54.916   24.505 22.51586 37.56483 
1 1 1   10  -12   32 o   55.308   22.789   39.434   50.834   36.758   73.775   41.852   70.142   58.458   25.805   58.906   25.601 -0.4472733 36.35005 
1 1 1   10  -11    0 o  541.342   19.777  3689.33  267.351  3658.13  464.004  3704.84  327.107  533.327   35.035  541.375   24.196 -8.048157 42.57796 
1 1 1   10  -11    1 o  158.097   9.2076  313.738   36.194  319.261   52.307  308.664   50.134  159.039   13.292  156.402   12.953 2.637024 18.55980 
1 1 1   10  -11    2 o  551.483   17.719  3826.48  244.013  3842.10  345.451  3810.93  344.724  550.494   25.129  548.240   25.180 2.254395 35.57391 
1 1 1   10  -11    3 o  269.909   10.864  912.458   73.224  882.036  104.113  942.236  103.004  264.444   15.839  273.466   15.142 -9.021545 21.91264 
1 1 1   10  -11    4 o  473.562   15.563  2819.79  184.046  2889.52  260.676  2750.48  259.886  477.765   21.849  465.985   22.334 11.77979 31.24386 
1 1 1   10  -11    5 o  347.335   12.530  1513.89  108.677  1470.86  153.993  1556.58  153.395  340.962   18.151  351.369   17.482 -10.40701 25.20125 
1 1 1   10  -11    6 o  340.496   12.159  1455.18  103.389  1541.97  146.795  1369.74  145.639  349.674   16.811  328.908   17.798 20.76602 24.48229 
1 1 1   10  -11    7 o  249.774   14.494  787.999   90.015  769.632  127.558  806.218  127.043  245.287   21.028  251.256   20.425 -5.968323 29.31490 
1 1 1   10  -11    8 o  344.030   17.461  1501.28  149.515  1394.57  211.192  1608.49  211.701  328.441   25.961  353.672   24.114 -25.23126 35.43262 
1 1 1   10  -11    9 o  243.774   10.126  745.679   61.641  720.451   87.438  770.605   86.911  238.511   14.753  246.837   14.159 -8.326736 20.44813 
1 1 1   10  -11   10 o   87.015   10.216   96.346   21.776   78.927   30.320  114.905   31.296   77.567   16.177   94.518   13.655 -16.95065 21.16951 
1 1 1   10  -11   11 o  582.984   18.235  4324.61  265.465  4139.01  375.054  4510.95  375.796  564.396   26.611  590.152   25.500 -25.75641 36.85621 
1 1 1   10  -11   12 o  169.005   8.7669  359.254   36.873  295.686   51.149  428.028   53.203  152.450   13.578  184.034   11.637 -31.58389 17.88211 
1 1 1   10  -11   13 o  116.907   9.5370  172.766   27.599  164.715   37.452  182.335   40.830  113.425   13.487  119.316   13.968 -5.890518 19.41625 
1 1 1   10  -11   14 o  110.788   15.847  158.818   42.593  107.541   62.440  203.444   58.250   89.747   26.218  124.738   19.325 -34.99052 32.57074 
1 1 1   10  -11   15 o  144.212   10.532  263.050   37.664  246.679   44.224  306.286   71.869  139.180   12.870  153.566   19.158 -14.38628 23.07935 
1 1 1   10  -11   16 o  203.152   9.4174  518.624   47.776  466.890   64.734  580.512   70.802  191.624   13.617  213.850   13.325 -22.22652 19.05139 
1 1 1   10  -11   17 o  122.438   10.179  189.909   30.841  180.304   39.361  205.184   49.635  118.616   13.531  125.992   16.147 -7.376541 21.06704 
1 1 1   10  -11   18 o  106.153   10.392  143.218   27.193  147.022   33.132  135.366   47.598  107.127   12.628  101.012   19.577 6.115448 23.29603 
1 1 1   10  -11   19 o  154.514   12.375  303.762   47.347  336.962   68.019  272.555   65.945  161.472   17.130  144.556   18.707 16.91679 25.36548 
1 1 1   10  -11   20 o  208.911   14.417  557.491   74.753  505.209   91.708  661.001  129.039  197.246   18.848  223.636   23.455 -26.39015 30.09004 
1 1 1   10  -11   21 o  233.766   10.530  689.657   61.471  677.623   81.206  705.807   94.072  230.310   14.189  234.283   16.179 -3.972748 21.51896 
1 1 1   10  -11   22 o   77.398   13.308   78.269   24.794   84.626   28.590   58.987   49.791   80.179   14.825   69.012   23.805 11.16751 28.04432 
1 1 1   10  -11   23 o   53.939   15.054   38.468   21.049   46.800   23.422   3.4850   47.994   59.250   15.611   50.369   21.524 8.880657 26.58951 
1 1 1   10  -11   24 o  119.020   15.913  186.401   46.111  219.667   68.190  158.372   62.591  126.479   22.410  106.255   24.138 20.22460 32.93764 
1 1 1   10  -11   25 o  167.018   11.367  357.830   47.128  384.733   55.855  291.350   87.803  172.487   13.064  143.229   25.483 29.25868 28.63655 
1 1 1   10  -11   26 o  105.485   12.251  145.068   31.670  163.899   36.920   92.623   61.614  111.717   13.508   80.293   26.480 31.42428 29.72664 
1 1 1   10  -11   27 o  100.733   12.515  133.428   30.802  149.459   35.576   85.426   61.560  106.166   13.741   76.774   26.470 29.39214 29.82448 
1 1 1   10  -11   28 o  135.644   11.887  240.762   39.857  249.384   47.322  219.718   73.932  136.856   14.046  120.384   25.392 16.47234 29.01804 
1 1 1   10  -11   29 o   74.739   19.301   81.039   36.274   81.039   36.274   0.0000   0.0000   74.739   19.301  ?   ?  0.000000 19.30082 
1 1 1   10  -11   30 o   75.267   15.855   79.528   28.860   84.698   31.969   56.759   67.086   77.125   17.052   65.976   26.549 11.14915 31.55376 
1 1 1   10  -11   31 o   68.468   16.960   67.760   28.847   61.302   31.630   99.682   70.326   64.494   18.609   76.802   28.100 -12.30864 33.70301 
1 1 1   10  -11   32 o  174.777   18.209  443.794   78.304  471.584  111.052  416.315  110.429  166.253   27.725  152.473   30.071 13.78032 40.90208 
1 1 1   10  -11   33 o  138.902   20.376  297.665   68.575  426.753  100.230  184.066   94.025  157.050   26.500   91.033   32.604 66.01688 42.01541 
1 1 1   10  -10    0 o  536.347   17.054  3610.63  228.408  3711.68  323.515  3510.21  322.524  542.441   23.883  527.376   24.490 15.06512 34.20772 
1 1 1   10  -10    1 o  280.720   15.503  991.432  108.258  1076.41  154.832  910.154  151.426  291.573   21.415  267.705   22.871 23.86768 31.33142 
1 1 1   10  -10    2 o  594.520   26.774  4478.35  397.501  4663.66  563.265  4294.49  561.044  601.343   37.700  576.204   39.225 25.13898 54.40485 
1 1 1   10  -10    3 o  194.577   9.5414  473.681   46.361  445.790   66.259  500.434   64.892  188.001   14.219  199.393   13.106 -11.39160 19.33709 
1 1 1   10  -10    4 o  178.422   9.3461  399.411   41.497  407.176   59.632  392.121   57.783  179.702   13.384  176.351   13.217 3.351273 18.81058 
1 1 1   10  -10    5 o  233.941   10.099  685.200   59.000  672.116   84.076  697.895   82.817  230.892   14.658  235.371   14.156 -4.478790 20.37746 
1 1 1   10  -10    6 o  221.047   9.8657  611.842   54.458  623.211   77.664  600.845   76.383  222.325   14.061  218.279   14.088 4.046005 19.90476 
1 1 1   10  -10    7 o  143.719   9.1049  259.634   32.508  228.696   46.666  288.798   45.310  134.167   14.142  151.243   12.098 -17.07629 18.61041 
1 1 1   10  -10    8 o  220.972   9.6256  611.758   53.115  589.319   75.524  633.717   74.713  216.014   14.078  224.150   13.409 -8.136734 19.44207 
1 1 1   10  -10    9 o  256.309   14.657  830.176   93.424  843.300  132.241  817.100  132.002  256.797   20.801  252.661   21.115 4.136139 29.63954 
1 1 1   10  -10   10 o  169.896   12.409  364.855   52.281  271.569   73.160  462.204   74.737  144.640   20.858  190.665   15.840 -46.02527 26.19113 
1 1 1   10  -10   11 o  248.432   10.074  774.595   62.499  769.395   88.208  779.837   88.565  246.531   14.391  248.214   14.350 -1.682816 20.32248 
1 1 1   10  -10   12 o  373.352   13.039  1756.82  121.566  1763.84  171.734  1749.78  172.107  372.352   18.469  370.350   18.670 2.001770 26.26159 
1 1 1   10  -10   13 o  291.510   16.164  1080.59  117.205   0.0000   0.0000  1080.59  117.205  ?   ?   291.510   16.164 0.000000 16.16396 
1 1 1   10  -10   14 o  355.894   14.996  1603.69  133.277  1694.24  162.787  1419.60  232.112  364.742   17.872  327.836   28.640 36.90680 33.75896 
1 1 1   10  -10   15 o  272.197   10.679  932.011   72.587  906.195  101.511  959.022  103.834  266.947   15.292  274.671   15.197 -7.724426 21.55903 
1 1 1   10  -10   16 o  238.279   14.811  722.184   87.693  711.463  123.636  733.038  124.400  234.195   21.376  237.830   21.167 -3.634979 30.08325 
1 1 1   10  -10   17 o  109.196   9.5235  150.951   25.709  120.754   32.049  205.451   43.056   96.794   13.637  126.698   13.833 -29.90330 19.42518 
1 1 1   10  -10   18 o  128.687   9.5645  209.289   30.516  189.210   39.133  240.445   48.746  121.661   13.087  136.992   14.468 -15.33127 19.50870 
1 1 1   10  -10   19 o  304.593   11.360  1169.93   86.408  1144.05  119.413  1198.38  125.189  299.344   16.033  306.220   16.431 -6.875397 22.95735 
1 1 1   10  -10   20 o  226.222   10.818  645.076   61.112  662.037   82.578  624.540   90.866  227.857   14.589  220.600   16.617 7.257126 22.11263 
1 1 1   10  -10   21 o  248.716   14.552  789.097   89.989  674.735  113.832  979.670  146.945  227.652   20.234  273.836   21.666 -46.18361 29.64519 
1 1 1   10  -10   22 o   93.309   12.237  112.048   27.826  105.715   32.943  127.815   51.982   89.872   15.222   97.200   21.937 -7.327362 26.70077 
1 1 1   10  -10   23 o  215.656   10.878  589.455   58.394  609.601   76.168  560.732   90.947  218.250   14.050  207.799   17.695 10.45096 22.59475 
1 1 1   10  -10   24 o  141.215   10.941  254.130   38.283  266.424   46.896  229.573   66.280  143.966   13.191  130.690   21.022 13.27539 24.81775 
1 1 1   10  -10   25 o  235.937   11.497  708.573   67.737  752.167   87.471  643.265  107.061  241.291   14.585  220.057   19.691 21.23471 24.50418 
1 1 1   10  -10   26 o  103.896   18.141  145.951   45.353  147.197   63.439  144.648   64.863  101.248   25.193  100.111   25.788 1.137115 36.05113 
1 1 1   10  -10   27 f  175.577   10.942  395.945   47.734  416.520   58.411  354.579   82.824  179.000   13.160  160.144   21.234 18.85588 24.98152 
1 1 1   10  -10   28 f  304.735   12.725  1206.05   96.835  1255.39  124.646  1130.93  153.791  306.755   16.331  284.065   21.848 22.69025 27.27656 
1 1 1   10  -10   29 o   88.215   13.791  104.462   29.385  122.851   33.705   46.195   59.997   95.423   14.610   63.566   25.267 31.85638 29.18625 
1 1 1   10  -10   30 o   68.483   19.223   67.711   34.219   67.711   34.219   0.0000   0.0000   68.483   19.223  ?   ?  0.000000 19.22299 
1 1 1   10  -10   31 o  106.223   13.541  152.055   35.101  161.891   40.054  119.494   72.874  108.673   15.173   84.361   28.811 24.31206 32.56191 
1 1 1   10  -10   32 o  100.786   14.292  139.363   34.963  128.392   39.787  176.552   73.252   94.654   17.477  101.551   27.987 -6.896461 32.99577 
1 1 1   10  -10   33 o   49.003   17.651   32.048   27.594   33.495   30.290   24.981   66.919   50.228   18.432   56.589   24.791 -6.360893 30.89213 
1 1 1   10  -10   34 o   43.460   19.933 -10.0754   49.088 -56.4282   71.920   30.353   67.167   44.779   21.585   56.381   24.765 -11.60185 32.85111 
1 1 1   10   -9    0 o  300.170   10.611  1127.02   79.537  1265.53  113.318  992.522  111.664  317.851   14.277  280.921   15.984 36.92932 21.43132 
1 1 1   10   -9    1 o  392.839   13.317  1932.55  130.635  2017.84  185.421  1848.49  184.077  400.863   18.523  383.103   19.303 17.75961 26.75294 
1 1 1   10   -9    2 o  213.301   9.6607  569.013   51.458  565.733   73.508  572.165   72.059  212.041   13.960  213.291   13.600 -1.249283 19.48983 
1 1 1   10   -9    3 o  374.285   18.586  1760.57  173.718  1721.62  246.354  1799.09  245.001  367.853   27.007  376.272   26.239 -8.419006 37.65458 
1 1 1   10   -9    4 o  217.371   14.181  594.892   76.555  525.717  109.224  661.690  107.332  203.054   21.886  228.591   18.974 -25.53700 28.96606 
1 1 1   10   -9    5 o  492.835   16.082  3050.36  197.922  3072.92  280.186  3027.90  279.624  493.223   22.748  489.566   22.872 3.657104 32.25895 
1 1 1   10   -9    6 o  191.760   9.4775  460.160   45.384  452.010   64.874  467.970   63.513  189.320   13.818  192.723   13.278 -3.402603 19.16335 
1 1 1   10   -9    7 o  491.403   16.152  3036.86  198.200  3023.67  280.528  3050.02  280.068  488.537   22.995  490.704   22.856 -2.166992 32.42126 
1 1 1   10   -9    8 o  323.368   11.926  1311.37   96.305  1302.21  136.509  1320.45  135.885  321.053   17.088  323.343   16.888 -2.290344 24.02505 
1 1 1   10   -9    9 o  356.021   12.448  1591.15  110.665  1596.14  156.786  1586.20  156.222  355.613   17.655  354.506   17.647 1.107056 24.96251 
1 1 1   10   -9   10 o  224.751   9.5821  632.985   53.779  596.609   76.267  668.959   75.845  217.290   14.132  230.299   13.244 -13.00932 19.36814 
1 1 1   10   -9   11 o  427.700   20.204  2325.22  215.783  2097.67  304.406  2555.05  305.925  400.615   30.661  444.107   27.724 -43.49200 41.33646 
1 1 1   10   -9   12 o  562.932   25.867  4086.69  363.623  3916.35  513.456  4258.07  515.028  539.844   38.337  564.617   36.728 -24.77307 53.09101 
1 1 1   10   -9   13 o  155.831   11.089  306.712   42.869  285.454   77.395  316.120   51.489  147.931   21.587  157.847   13.183 -9.915741 25.29394 
1 1 1   10   -9   14 o  408.015   15.805  2108.55  161.035  2067.07  196.545  2193.25  280.879  402.468   19.556  409.389   27.636 -6.920471 33.85574 
1 1 1   10   -9   15 o  321.773   11.679  1303.51   93.840  1239.55  131.677  1369.52  133.768  311.917   16.969  328.537   16.305 -16.61942 23.53289 
1 1 1   10   -9   16 o  333.980   11.927  1405.40   99.473  1314.15  139.636  1499.41  141.740  320.847   17.494  343.549   16.522 -22.70209 24.06264 
1 1 1   10   -9   17 f  313.313   11.694  1236.88   91.490  1196.96  128.145  1278.40  130.666  306.302   16.818  316.673   16.581 -10.37085 23.61711 
1 1 1   10   -9   18 o  117.578   14.469  177.628   41.588  154.521   59.201  200.139   58.434  107.447   22.772  123.580   19.588 -16.13333 30.03729 
1 1 1   10   -9   19 o  309.284   11.578  1205.89   89.421  1185.87  124.267  1227.38  128.775  304.836   16.385  310.012   16.696 -5.175659 23.39236 
1 1 1   10   -9   20 o  273.221   11.042  940.638   75.340  920.497  103.721  963.133  109.616  268.665   15.526  274.639   16.053 -5.974487 22.33290 
1 1 1   10   -9   21 o  229.343   10.279  662.266   58.869  660.243   78.805  664.821   88.552  227.796   13.920  228.031   15.646 -0.2350311 20.94170 
1 1 1   10   -9   22 o   47.989   14.771   29.310   19.435   32.858   21.828   15.742   42.688   50.766   15.658   51.832   21.064 -1.065868 26.24684 
1 1 1   10   -9   23 o  138.399   14.606  246.432   49.719  227.574   55.300  325.955  113.561  132.197   17.156  152.762   30.832 -20.56505 35.28329 
1 1 1   10   -9   24 o   92.602   12.605  110.746   28.391  110.025   33.309  112.660   54.288   91.668   15.075   90.689   23.706 0.9792557 28.09340 
1 1 1   10   -9   25 o  165.290   10.899  347.527   44.733  356.482   55.540  330.990   75.473  166.620   13.463  158.137   19.527 8.482620 23.71823 
1 1 1   10   -9   26 f  282.369   11.706  1015.44   82.539  1062.61  108.129  949.563  127.769  286.598   15.162  268.068   19.214 18.53043 24.47612 
1 1 1   10   -9   27 o  102.114   11.916  135.068   29.815  153.628   34.784   83.678   57.881  108.605   13.090   77.869   25.665 30.73634 28.80982 
1 1 1   10   -9   28 o  297.694   13.641  1149.34  101.406  1167.69  123.290  1110.96  178.290  296.938   16.695  278.756   25.909 18.18140 30.82183 
1 1 1   10   -9   29 o  142.474   11.880  263.858   41.883  309.313   49.617  151.180   78.120  153.723   13.049   98.128   29.494 55.59528 32.25176 
1 1 1   10   -9   30 o   93.543   13.658  117.013   30.964  130.585   35.315   71.884   64.396   98.353   14.840   71.842   26.780 26.51102 30.61722 
1 1 1   10   -9   31 o  132.758   12.290  232.290   40.281  246.597   47.082  193.215   77.809  135.718   14.098  109.257   28.294 26.46111 31.61184 
1 1 1   10   -9   33 o  126.086   13.083  214.000   40.595  233.338   46.954  156.758   80.783  130.544   14.657   93.026   30.303 37.51751 33.66181 
1 1 1   10   -9   34 o   90.255   18.263  120.140   39.748  137.794   47.364   78.104   73.087   94.916   20.576   69.453   27.795 25.46346 34.58220 
1 1 1   10   -8    0 o  185.222   9.1523  428.878   42.333  458.535   60.556  400.532   59.202  190.985   12.771  178.374   13.388 12.61061 18.50251 
1 1 1   10   -8    1 o  295.739   11.098  1094.06   81.960  1112.54  116.310  1075.82  115.513  297.541   15.709  292.556   15.871 4.984833 22.33085 
1 1 1   10   -8    2 o  532.129   16.728  3551.02  222.279  3713.51  314.953  3389.78  313.752  543.069   23.224  518.667   24.224 24.40186 33.55841 
1 1 1   10   -8    3 o  395.834   13.368  1962.12  132.134  2069.97  187.473  1855.66  186.265  406.022   18.490  383.823   19.497 22.19830 26.87069 
1 1 1   10   -8    4 o  499.702   16.281  3132.36  203.158  3179.28  287.696  3085.69  286.922  502.279   22.937  494.774   23.222 7.504944 32.64031 
1 1 1   10   -8    5 o  310.820   11.587  1209.36   89.937  1198.09  127.700  1220.46  126.687  308.505   16.637  311.424   16.348 -2.918823 23.32476 
1 1 1   10   -8    6 o  444.928   21.121  2495.08  234.665  2402.14  332.145  2587.72  331.588  433.226   30.904  450.148   29.664 -16.92276 42.83753 
1 1 1   10   -8    7 o  657.226   20.613  5447.02  338.301  5263.44  478.378  5630.67  478.481  642.603   29.811  665.092   28.809 -22.48877 41.45692 
1 1 1   10   -8    8 o  191.870   9.5417  460.757   45.718  468.886   65.422  452.998   63.914  192.837   13.674  189.536   13.594 3.300766 19.28176 
1 1 1   10   -8    9 o  119.512   9.1676  179.823   27.152  183.237   39.305  176.706   37.551  120.102   13.330  117.973   12.960 2.128586 18.59196 
1 1 1   10   -8   10 o  164.556   9.0852  340.054   37.189  302.323   52.995  376.663   52.200  154.499   13.884  172.839   12.172 -18.33952 18.46409 
1 1 1   10   -8   11 o  101.345   9.5817  129.822   23.962  140.358   34.434  119.931   33.365  104.824   13.466   96.623   14.256 8.200722 19.61049 
1 1 1   10   -8   12 f  119.015   12.925  180.167   37.796   0.0000   0.0000  180.167   37.796  ?   ?   119.015   12.925 0.000000 12.92493 
1 1 1   10   -8   13 o  104.140   17.821  141.145   44.677  141.145   44.677   0.0000   0.0000  104.140   17.821  ?   ?  0.000000 17.82054 
1 1 1   10   -8   14 o  169.116   9.1606  359.706   38.542  324.069   53.757  397.404   55.290  159.771   13.603  177.238   12.574 -17.46716 18.52414 
1 1 1   10   -8   15 f  441.227   14.638  2460.13  161.289  2309.90  227.404  2612.21  228.796  424.102   21.543  452.197   20.261 -28.09442 29.57405 
1 1 1   10   -8   16 o  172.070   8.8298  372.367   37.813  334.469   52.143  414.405   54.917  162.354   12.969  180.974   12.223 -18.61978 17.82177 
1 1 1   10   -8   17 o  440.112   14.717  2451.34  161.743  2327.19  227.767  2577.62  229.722  425.095   21.526  448.484   20.512 -23.38840 29.73427 
1 1 1   10   -8   18 o  215.882   10.127  585.816   54.593  573.524   75.374  599.380   79.180  212.445   14.291  217.094   14.692 -4.649246 20.49593 
1 1 1   10   -8   19 o  302.277   16.537  1165.29  124.354  1120.68  175.656  1210.11  176.071  292.930   24.231  304.956   23.297 -12.02667 33.61351 
1 1 1   10   -8   20 o  136.680   10.926  236.681   36.982  250.155   44.016  204.336   68.196  140.193   12.711  123.887   22.887 16.30566 26.17958 
1 1 1   10   -8   21 o  179.198   9.4460  404.689   42.121  348.643   55.127  483.305   65.289  165.473   13.457  194.990   13.491 -29.51675 19.05577 
1 1 1   10   -8   22 o  191.811   10.210  464.396   48.728  472.784   64.297  453.077   74.689  192.785   13.440  187.959   16.067 4.825745 20.94689 
1 1 1   10   -8   23 o   57.114   14.413   43.025   20.556   47.089   23.277   28.627   43.815   59.712   15.481   56.601   21.857 3.110287 26.78480 
1 1 1   10   -8   24 o  243.132   15.054  756.115   90.952  661.772  111.732  941.405  156.585  225.302   20.069  266.880   23.743 -41.57739 31.08910 
1 1 1   10   -8   25 o  275.966   11.834  964.756   81.550  968.064  108.471  960.456  123.677  274.436   15.896  272.092   18.309 2.344452 24.24637 
1 1 1   10   -8   26 o  129.225   11.086  213.116   35.429  210.909   42.527  218.122   64.051  127.882   13.522  127.436   20.848 0.4463120 24.84948 
1 1 1   10   -8   27 o  232.277   11.150  685.849   64.674  667.737   82.385  714.937  104.404  227.333   14.589  233.208   18.069 -5.874313 23.22334 
1 1 1   10   -8   28 o  173.130   10.625  382.948   45.714  376.511   55.941  395.888   79.310  170.605   13.234  172.043   18.765 -1.438522 22.96217 
1 1 1   10   -8   29 o   92.244   19.403  118.076   43.278  125.085   61.354  111.135   61.055   92.293   25.681   87.102   26.051 5.190201 36.58111 
1 1 1   10   -8   30 o  131.378   11.856  224.544   38.476  244.951   45.137  170.292   73.594  136.514   13.414  105.366   27.630 31.14873 30.71373 
1 1 1   10   -8   31 o  169.058   12.050  373.080   50.540  420.259   60.358  262.404   92.446  178.398   13.652  128.414   29.455 49.98363 32.46525 
1 1 1   10   -8   32 o   35.188   14.607   6.1714   21.104  -1.6531   22.678   56.761   57.664   33.248   14.502   65.645   25.146 -32.39756 29.02763 
1 1 1   10   -8   33 o   68.690   19.843   69.254   35.947   69.254   35.947   0.0000   0.0000   68.690   19.843  ?   ?  0.000000 19.84310 
1 1 1   10   -8   34 o   42.647   19.353 -11.1139   44.701 -48.0392   64.277   23.472   62.207   44.718   21.239   56.284   24.285 -11.56617 32.26260 
1 1 1   10   -8   35 o   52.515   17.924   38.900   28.206   45.897   31.002   5.2729   67.962   56.189   18.793   53.225   24.035 2.964222 30.51034 
1 1 1   10   -7    0 o  114.196   9.2784  164.089   26.230  162.306   37.907  165.727   36.333  113.047   13.708  114.351   12.952 -1.304085 18.85936 
1 1 1   10   -7    1 o  348.234   12.428  1517.39  108.072  1504.59  153.045  1530.12  152.631  345.924   17.777  348.881   17.576 -2.957611 24.99844 
1 1 1   10   -7    2 o  489.168   15.983  2998.67  195.236  2940.55  276.306  3056.61  275.906  483.477   22.886  493.002   22.411 -9.524994 32.03134 
1 1 1   10   -7    3 o  360.808   12.217  1629.07  110.079  1731.95  156.402  1528.08  154.958  371.654   16.852  348.554   17.863 23.09961 24.55770 
1 1 1   10   -7    4 o  411.543   13.840  2121.08  142.232  2175.25  201.574  2067.37  200.721  416.164   19.396  405.660   19.814 10.50348 27.72775 
1 1 1   10   -7    5 o  314.182   11.579  1235.26   90.846  1235.82  128.932  1234.71  128.023  313.459   16.530  313.333   16.419 0.1258240 23.29836 
1 1 1   10   -7    6 f  131.067   9.1641  215.864   29.805  200.356   43.089  230.092   41.271  125.686   13.965  134.999   12.380 -9.313507 18.66245 
1 1 1   10   -7    7 o  553.001   17.736  3842.43  244.925  3747.02  346.521  3937.68  346.233  544.274   25.495  558.131   24.842 -13.85748 35.59671 
1 1 1   10   -7    8 o  333.967   17.145  1405.37  142.503  1526.16  202.383  1286.59  200.688  346.710   23.514  317.722   25.509 28.98730 34.69367 
1 1 1   10   -7    9 o  243.492   10.202  742.198   62.031  743.162   88.398  741.264   87.068  242.881   14.643  242.599   14.437 0.2815552 20.56351 
1 1 1   10   -7   10 o  202.392   9.5444  512.775   48.238  493.926   68.770  531.031   67.681  197.857   14.009  205.296   13.273 -7.438583 19.29849 
1 1 1   10   -7   11 o  246.442   10.128  760.811   62.329  685.810   88.199  835.634   88.094  233.011   15.242  257.561   13.746 -24.55029 20.52494 
1 1 1   10   -7   12 o  177.128   9.2047  394.005   40.574  433.493   57.769  355.560   57.000  185.378   12.553  167.623   13.738 17.75417 18.60946 
1 1 1   10   -7   13 o  108.563   9.2501  148.743   24.838  182.284   34.821  113.998   35.440  119.915   11.780   93.849   15.675 26.06611 19.60838 
1 1 1   10   -7   14 f  527.415   16.596  3517.66  218.583  3175.10  308.435  3863.30  309.816  497.191   24.842  549.776   22.567 -52.58472 33.56174 
1 1 1   10   -7   15 o  121.562   11.545  187.406   34.626  125.285   46.012  268.526   52.580   97.560   19.567  145.128   14.712 -47.56824 24.48094 
1 1 1   10   -7   16 o  328.662   11.859  1359.20   97.327  1293.84  136.924  1425.94  138.370  318.847   17.261  335.419   16.520 -16.57269 23.89247 
1 1 1   10   -7   17 o  261.903   10.504  861.983   68.699  817.012   96.106  908.972   98.239  253.642   15.244  267.722   14.751 -14.07962 21.21276 
1 1 1   10   -7   18 o  280.802   10.053  990.634   70.490  841.511   98.113  1149.73  101.341  257.314   15.339  301.775   13.448 -44.46078 20.39906 
1 1 1   10   -7   19 o  349.430   11.885  1538.39  103.705  1412.26  144.874  1670.94  148.516  332.622   17.503  362.701   16.397 -30.07922 23.98410 
1 1 1   10   -7   20 o  248.743   10.347  778.055   64.271  770.411   88.429  786.615   93.573  246.289   14.441  248.667   15.141 -2.377930 20.92372 
1 1 1   10   -7   21 o  221.568   14.529  624.455   79.943  615.329  112.941  633.618  113.172  217.769   21.030  221.119   20.738 -3.350159 29.53526 
1 1 1   10   -7   22 o  161.545   10.206  329.582   40.961  347.901   53.362  303.306   63.909  165.415   13.024  153.388   16.969 12.02689 21.39075 
1 1 1   10   -7   23 o  321.016   12.378  1301.85   99.231  1336.38  136.872  1263.59  144.071  323.158   17.021  313.527   18.483 9.630585 25.12649 
1 1 1   10   -7   24 o  210.558   10.455  558.549   54.972  577.071   72.267  533.112   84.687  212.933   13.663  203.632   16.804 9.300980 21.65771 
1 1 1   10   -7   25 o  291.554   11.633  1074.42   84.698  1091.88  113.994  1052.91  126.550  292.071   15.687  285.785   17.821 6.286713 23.74189 
1 1 1   10   -7   26 o   86.070   16.225   97.902   33.593   88.081   34.748  238.322  131.394   81.214   17.639  126.936   38.273 -45.72239 42.14218 
1 1 1   10   -7   27 o  126.391   10.816  203.731   33.808  191.814   40.086  233.087   62.918  121.929   13.386  132.310   19.639 -10.38068 23.76672 
1 1 1   10   -7   28 o   36.621   13.929   12.450   17.616   10.130   18.993   26.733   47.129   36.263   14.278   56.394   22.401 -20.13168 26.56437 
1 1 1   10   -7   29 f  230.802   11.618  682.434   66.746  719.335   84.281  620.355  109.316  235.388   14.407  214.238   20.691 21.14960 25.21263 
1 1 1   10   -7   30 o   88.780   13.440  104.140   28.864  115.453   33.194   69.070   58.446   93.067   14.777   71.988   25.714 21.07912 29.65739 
1 1 1   10   -7   31 o   50.290   19.841   23.795   36.741   61.985   53.148 -11.1608   50.847   68.048   24.498   46.929   21.024 21.11935 32.28244 
1 1 1   10   -7   32 o   59.701   16.289   49.424   24.961   53.881   27.738   30.445   57.234   62.109   17.262   58.700   24.183 3.408211 29.71231 
1 1 1   10   -7   33 o   61.114   16.571   52.373   25.927   61.539   28.673   11.287   60.705   65.995   17.218   54.673   23.789 11.32194 29.36622 
1 1 1   10   -7   34 o   33.401   14.552  -1.0198   22.779   13.807   24.287 -109.3689   65.654   40.139   16.037   38.979   19.182 1.160152 25.00242 
1 1 1   10   -7   35 o  112.130   20.151  185.697   54.351  185.697   54.351   0.0000   0.0000  112.130   20.151  ?   ?  0.000000 20.15110 
1 1 1   10   -7   36 o   34.682   15.137   0.2462   24.740 -10.2411   26.843   59.393   63.749   32.885   14.952   64.002   25.836 -31.11628 29.85058 
1 1 1   10   -6    0 o  236.286   10.025  698.016   59.152  673.451   83.931  722.258   83.379  231.465   14.595  239.800   13.984 -8.334381 20.21363 
1 1 1   10   -6    1 o  266.505   10.531  888.114   70.088  922.883   99.553  853.943   98.693  271.081   14.762  260.678   15.227 10.40280 21.20814 
1 1 1   10   -6    2 o  143.464   9.1157  258.310   32.488  264.412   46.544  252.513   45.369  144.776   13.013  141.457   12.989 3.318863 18.38602 
1 1 1   10   -6    3 o  597.481   18.809  4479.18  280.638  4508.25  397.116  4450.18  396.648  597.956   26.595  594.062   26.738 3.894409 37.71186 
1 1 1   10   -6    4 o  342.449   11.905  1467.23  101.809  1608.61  144.712  1328.69  143.257  358.259   16.175  325.001   17.718 33.25854 23.99134 
1 1 1   10   -6    5 o  384.414   12.854  1849.70  123.391  1927.08  175.080  1773.33  173.928  391.915   17.889  375.891   18.529 16.02429 25.75582 
1 1 1   10   -6    6 o  251.133   10.085  788.750   63.247  812.812   90.206  765.485   88.703  254.331   14.261  246.770   14.458 7.561081 20.30727 
1 1 1   10   -6    7 o  331.372   11.952  1374.46   98.902  1366.72  140.245  1382.12  139.494  329.573   17.099  331.457   16.909 -1.884033 24.04806 
1 1 1   10   -6    8 o  286.023   11.042  1023.86   78.866  988.137  111.899  1059.11  111.172  280.171   16.061  290.183   15.397 -10.01215 22.24883 
1 1 1   10   -6    9 o  123.883   9.0751  192.985   27.879  203.407   40.551  183.643   38.391  126.749   12.995  120.368   12.978 6.380936 18.36583 
1 1 1   10   -6   10 o  159.899   13.489  322.897   53.359  291.280   77.013  352.087   73.999  150.518   21.066  166.305   18.111 -15.78725 27.78148 
1 1 1   10   -6   11 f  292.852   15.466  1080.80  112.705   0.0000   0.0000  1080.80  112.705  ?   ?   292.852   15.466 0.000000 15.46636 
1 1 1   10   -6   12 o  309.234   16.053  1206.75  123.535  1206.75  123.535   0.0000   0.0000  309.234   16.053  ?   ?  0.000000 16.05266 
1 1 1   10   -6   13 o   92.758   9.5051  108.896   21.706   90.821   30.443  127.588   30.958   83.688   15.124  100.015   12.680 -16.32720 19.73602 
1 1 1   10   -6   14 o  186.064   9.2100  433.754   42.793  410.664   60.157  457.409   60.887  180.201   13.466  190.330   12.886 -10.12929 18.63822 
1 1 1   10   -6   15 o  236.800   9.8782  703.267   58.413  656.301   82.089  751.442   83.139  227.723   14.511  243.900   13.706 -16.17702 19.96035 
1 1 1   10   -6   16 o  407.234   13.332  2089.25  135.579  1967.47  191.198  2212.42  192.283  393.210   19.472  417.371   18.449 -24.16077 26.82371 
1 1 1   10   -6   17 o  159.922   10.993  322.919   43.634  195.253   57.415  497.465   67.134  122.385   19.436  198.145   13.651 -75.75970 23.75120 
1 1 1   10   -6   18 o   93.544   9.2249  110.844   21.268   83.827   27.854  148.620   32.937   80.275   14.425  107.923   12.450 -27.64732 19.05468 
1 1 1   10   -6   19 o  130.628   9.3697  215.274   30.361  207.307   40.378  225.639   46.055  127.591   12.847  132.914   14.091 -5.322952 19.06829 
1 1 1   10   -6   20 o  292.032   11.286  1073.41   82.304  1054.33  114.532  1093.80  118.353  287.844   15.997  293.117   16.232 -5.273346 22.79021 
1 1 1   10   -6   21 o  188.180   10.018  446.291   46.907  443.471   63.359  449.711   69.777  186.838   13.675  187.830   15.001 -0.9920044 20.29873 
1 1 1   10   -6   22 o  358.364   13.153  1622.41  117.707  1669.33  164.522  1573.21  168.475  361.112   18.304  350.030   19.349 11.08197 26.63541 
1 1 1   10   -6   23 o  343.573   18.009  1511.89  153.971  1496.60  217.896  1527.14  217.601  337.242   26.076  340.897   25.752 -3.655029 36.64849 
1 1 1   10   -6   24 o  181.887   10.328  417.724   46.717  417.983   60.861  417.353   72.889  181.223   13.547  180.308   16.366 0.9144287 21.24543 
1 1 1   10   -6   25 o  268.712   11.107  910.652   74.531  883.258   99.999  944.887  111.791  263.050   15.289  271.594   16.562 -8.544006 22.54026 
1 1 1   10   -6   26 o  482.829   15.970  2978.22  192.555  2964.93  267.681  2992.46  277.195  476.470   22.497  477.988   23.223 -1.518799 32.33320 
1 1 1   10   -6   27 o  302.381   12.122  1159.16   91.533  1219.94  122.145  1081.31  138.237  308.144   15.928  288.145   19.323 19.99896 25.04184 
1 1 1   10   -6   28 o   94.315   16.264  117.635   36.923  107.455   37.955  297.095  159.360   89.658   17.581  137.171   42.309 -47.51344 45.81588 
1 1 1   10   -6   29 o  234.493   11.452  699.922   67.058  729.030   85.294  652.812  108.510  237.589   14.445  221.562   19.822 16.02757 24.52641 
1 1 1   10   -6   30 o  178.671   11.411  409.342   50.646  405.711   60.411  417.931   92.910  176.815   13.791  174.753   21.762 2.061768 25.76385 
1 1 1   10   -6   31 o  111.976   11.843  162.831   32.615  168.105   37.825  147.546   64.395  113.091   13.671  100.112   25.644 12.97892 29.06076 
1 1 1   10   -6   32 o   37.390   16.894 -13.2856   33.634 -28.8594   48.287   1.3918   46.876   42.218   19.510   47.950   20.884 -5.731895 28.57921 
1 1 1   10   -6   33 f   86.621   15.878  102.796   33.079   82.915   39.312  151.009   61.220   75.825   20.341  100.045   24.662 -24.22047 31.96796 
1 1 1   10   -6   34 o   97.047   15.862  129.287   37.112  129.287   37.112   0.0000   0.0000   97.047   15.862  ?   ?  0.000000 15.86204 
1 1 1   10   -6   35 o  148.651   12.480  292.797   45.898  316.997   53.700  227.188   88.418  153.457   14.173  115.216   30.320 38.24074 33.46885 
1 1 1   10   -6   36 o  151.965   20.119  338.558   74.470  338.558   74.470   0.0000   0.0000  151.965   20.119  ?   ?  0.000000 20.11867 
1 1 1   10   -6   37 o  135.407   13.484  250.302   44.988  263.202   52.517  214.737   87.203  136.933   15.639  106.100   30.980 30.83344 34.70372 
1 1 1   10   -5    0 o  481.828   22.261  2917.05  267.842  3074.39  378.949  2759.97  378.624  492.268   30.985  465.874   32.754 26.39413 45.08736 
1 1 1   10   -5    1 o  366.061   18.043  1680.12  164.932  1648.20  232.854  1712.27  233.644  360.845   26.016  367.906   25.591 -7.060944 36.49236 
1 1 1   10   -5    2 o  466.830   21.652  2737.66  252.409  2587.02  356.631  2888.85  357.290  451.137   31.861  477.281   30.132 -26.14429 43.85297 
1 1 1   10   -5    3 o  162.904   9.0613  332.733   36.716  309.670   52.291  355.161   51.565  156.720   13.493  168.033   12.376 -11.31258 18.30901 
1 1 1   10   -5    4 o  631.769   19.835  5010.12  312.924  5030.16  442.703  4990.12  442.380  631.351   28.080  628.812   28.172 2.539612 39.77623 
1 1 1   10   -5    5 o  370.867   12.647  1721.20  117.131  1822.73  166.239  1621.10  165.062  381.262   17.461  358.998   18.475 22.26392 25.42028 
1 1 1   10   -5    6 o  217.499   9.9158  591.510   53.856  573.226   76.691  609.300   75.648  213.451   14.473  220.165   13.830 -6.714279 20.01837 
1 1 1   10   -5    7 o  212.391   9.4730  564.030   50.243  576.903   71.851  551.713   70.283  214.226   13.500  209.476   13.508 4.749252 19.09750 
1 1 1   10   -5    8 o  627.035   19.551  4940.80  306.131  4654.54  432.729  5227.61  433.141  606.395   28.577  643.120   26.970 -36.72461 39.29400 
1 1 1   10   -5    9 o  164.860   9.0366  340.886   37.060  337.113   53.076  344.477   51.771  163.532   13.107  165.375   12.632 -1.842896 18.20329 
1 1 1   10   -5   10 o  471.975   15.489  2795.37  182.559  2691.52  258.335  2898.96  258.019  461.865   22.398  479.519   21.547 -17.65445 31.08027 
1 1 1   10   -5   11 o  158.203   9.0061  314.112   35.433  315.696   50.996  312.633   49.267  158.162   13.028  157.437   12.638 0.7244110 18.15033 
1 1 1   10   -5   12 o  352.735   17.848  1570.76  156.701  1401.00  221.371  1741.25  221.847  330.691   27.044  369.791   24.157 -39.10037 36.26165 
1 1 1   10   -5   13 o  442.276   14.549  2458.26  160.688  2320.80  227.041  2596.23  227.454  428.169   21.234  453.187   20.099 -25.01755 29.23781 
1 1 1   10   -5   14 o  108.164   8.8518  147.456   23.700  137.607   33.395  157.450   33.639  103.848   13.174  111.329   12.306 -7.481354 18.02725 
1 1 1   10   -5   15 o  174.027   9.0650  380.417   39.258  354.408   55.070  407.294   55.981  167.367   13.286  179.609   12.560 -12.24211 18.28297 
1 1 1   10   -5   16 o  520.988   16.753  3432.22  217.956  3318.36  307.866  3546.63  308.608  508.789   24.231  526.417   23.476 -17.62775 33.73834 
1 1 1   10   -5   17 o  333.779   11.827  1400.78   98.578  1285.04  138.676  1519.01  140.156  317.909   17.536  346.526   16.197 -28.61676 23.87135 
1 1 1   10   -5   18 o  231.712   13.504  679.196   77.801  612.621  107.155  753.419  113.142  218.351   19.869  242.651   18.819 -24.29997 27.36717 
1 1 1   10   -5   19 o  179.563   12.390  407.987   55.216  359.005   73.839  470.121   83.164  167.123   17.976  191.597   17.578 -24.47418 25.14156 
1 1 1   10   -5   20 o  286.074   11.045  1029.29   78.907  991.516  110.031  1069.29  113.219  279.279   15.842  290.108   15.687 -10.82813 22.29453 
1 1 1   10   -5   21 o  329.253   11.978  1365.68   98.487  1311.48  137.510  1422.76  141.123  320.701   17.234  334.170   16.967 -13.46924 24.18432 
1 1 1   10   -5   22 o  278.131   10.950  973.343   76.054  938.591  105.078  1011.58  110.219  271.638   15.555  281.980   15.715 -10.34155 22.11185 
1 1 1   10   -5   23 o   89.790   10.540  102.774   23.184   85.611   27.927  140.832   41.586   81.095   14.314  104.034   16.563 -22.93909 21.89076 
1 1 1   10   -5   24 f  248.086   15.159  783.721   93.464  805.395  132.529  762.275  131.831  249.094   21.517  242.058   22.051 7.035431 30.80981 
1 1 1   10   -5   25 f  172.981   10.485  378.043   45.078  394.802   57.499  351.313   72.617  176.204   13.163  164.861   17.928 11.34323 22.24095 
1 1 1   10   -5   26 o  219.881   11.527  611.817   63.071  675.833   83.287  525.749   96.572  230.236   14.561  201.270   19.457 28.96640 24.30214 
1 1 1   10   -5   27 o  238.853   11.453  720.865   68.315  777.281   89.436  641.842  105.849  246.714   14.581  222.245   19.263 24.46986 24.15934 
1 1 1   10   -5   28 o  158.671   10.783  319.637   42.473  337.914   52.297  284.219   72.799  162.572   12.990  146.441   20.467 16.13162 24.24103 
1 1 1   10   -5   29 o  101.235   16.304  135.228   39.818  127.536   40.987  264.369  167.939   97.903   17.402  129.280   43.738 -31.37683 47.07320 
1 1 1   10   -5   30 o   58.275   15.148   45.479   22.248   50.360   24.714   24.614   51.099   61.214   15.992   57.167   23.112 4.047024 28.10540 
1 1 1   10   -5   31 o   83.413   13.496   91.778   27.151   87.340   30.769  107.391   57.711   80.572   15.857   86.569   25.181 -5.997330 29.75841 
1 1 1   10   -5   32 o   88.287   13.343  103.030   28.499  102.618   32.584  104.372   58.788   87.302   15.514   84.483   25.630 2.819778 29.95940 
1 1 1   10   -5   33 o   78.172   25.478   89.613   57.099   0.0000   0.0000   89.613   57.099  ?   ?    78.172   25.478 0.000000 25.47754 
1 1 1   10   -5   34 o  142.797   16.759  277.431   58.625  317.178   84.943  241.278   81.012  146.938   23.977  125.558   26.661 21.38012 35.85685 
1 1 1   10   -5   35 o   29.821   13.398  -7.6647   20.810  -3.3113   22.586 -32.1197   53.532   32.613   14.342   43.546   20.267 -10.93311 24.82854 
1 1 1   10   -5   36 o  130.222   13.105  226.528   42.036  254.993   49.249  150.146   80.675  137.180   14.601   92.915   30.284 44.26463 33.62005 
1 1 1   10   -5   37 o  125.041   14.176  213.323   43.484  237.886   50.530  143.216   85.367  130.833   15.785   87.890   31.110 42.94313 34.88588 
1 1 1   10   -4    0 o  335.875   11.695  1411.00   98.088  1592.70  139.296  1232.29  138.146  356.602   15.642  313.035   17.745 43.56747 23.65552 
1 1 1   10   -4    1 o  398.976   13.601  1992.19  135.508  2018.82  191.827  1965.67  191.449  401.173   19.148  395.835   19.368 5.337769 27.23560 
1 1 1   10   -4    2 o  459.865   15.001  2648.04  172.268  2627.09  243.754  2668.95  243.494  457.373   21.342  461.026   21.150 -3.652802 30.04661 
1 1 1   10   -4    3 o  225.873   13.697  640.881   76.891  611.004  108.550  670.970  108.932  219.756   19.999  230.495   19.097 -10.73915 27.65287 
1 1 1   10   -4    4 o  417.360   19.817  2186.04  206.536  2082.71  291.722  2289.90  292.451  405.194   29.023  425.256   27.690 -20.06238 40.11333 
1 1 1   10   -4    5 o  249.369   14.364  781.134   89.072  726.874  125.896  835.516  126.038  239.633   21.259  257.267   19.770 -17.63361 29.03104 
1 1 1   10   -4    6 o  498.896   16.017  3118.68  199.542  3263.83  282.674  2974.50  281.719  509.547   22.215  486.289   23.199 23.25818 32.12035 
1 1 1   10   -4    7 o  165.441   9.3309  343.263   38.392  318.082   54.839  367.468   53.766  158.778   13.973  170.888   12.690 -12.10991 18.87544 
1 1 1   10   -4    8 o  601.563   18.520  4542.08  278.206  4820.98  394.074  4264.97  392.814  618.308   25.522  581.203   27.065 37.10425 37.20093 
1 1 1   10   -4    9 o  507.995   16.458  3236.54  208.781  3205.97  295.470  3267.02  295.052  504.431   23.456  509.261   23.201 -4.829437 32.99226 
1 1 1   10   -4   10 o  295.277   15.857  1096.76  116.493   0.0000   0.0000  1096.76  116.493  ?   ?   295.277   15.857 0.000000 15.85667 
1 1 1   10   -4   11 f  259.186   15.099  845.547   97.302  845.547   97.302   0.0000   0.0000  259.186   15.099  ?   ?  0.000000 15.09895 
1 1 1   10   -4   12 o  434.632   14.558  2370.38  158.009  2332.27  223.780  2408.26  223.137  430.010   20.840  437.042   20.446 -7.032104 29.19443 
1 1 1   10   -4   13 o  464.187   15.139  2706.84  175.483  2548.41  248.109  2865.42  248.232  448.844   22.136  476.286   20.871 -27.44135 30.42352 
1 1 1   10   -4   14 o  371.168   18.395  1737.99  170.498  1791.36  241.727  1685.14  240.518  374.055   26.041  362.491   26.760 11.56372 37.33920 
1 1 1   10   -4   15 o  302.664   11.079  1148.74   83.734  1100.43  118.342  1197.17  118.492  295.094   16.120  308.361   15.388 -13.26682 22.28576 
1 1 1   10   -4   16 o  127.088   8.7823  203.249   27.701  169.564   38.534  239.270   39.848  115.316   13.646  137.561   11.712 -22.24443 17.98271 
1 1 1   10   -4   17 o  116.511   9.1688  171.182   26.461  203.055   36.730  136.790   38.154  126.595   11.753  103.041   15.292 23.55440 19.28633 
1 1 1   10   -4   18 o  199.958   8.9360  501.219   44.620  441.280   62.106  565.166   64.149  186.691   13.411  211.627   12.190 -24.93620 18.12333 
1 1 1   10   -4   19 o  228.913   9.4014  657.374   53.742  573.998   74.673  746.964   77.406  212.822   14.131  243.200   12.791 -30.37804 19.06003 
1 1 1   10   -4   20 o  137.450   13.272  240.383   44.989  280.220   58.920  184.684   69.669  147.867   16.223  117.607   24.517 30.26007 29.39844 
1 1 1   10   -4   21 o   67.281   11.846   58.635   19.176   53.974   23.604   67.682   32.884   64.061   15.017   71.569   18.321 -7.508087 23.68918 
1 1 1   10   -4   22 o  215.164   9.4722  581.239   50.895  511.354   69.116  664.021   75.223  200.723   13.874  229.014   13.210 -28.29094 19.15670 
1 1 1   10   -4   23 o  362.967   12.708  1661.91  115.186  1584.77  160.779  1743.26  165.102  352.054   18.352  369.904   17.874 -17.85010 25.61743 
1 1 1   10   -4   24 o  269.184   11.062  912.106   74.361  888.799  101.848  938.714  108.822  264.264   15.501  271.397   16.129 -7.132751 22.37077 
1 1 1   10   -4   25 o  159.357   9.9747  320.512   39.494  301.387   50.567  350.425   63.240  153.861   13.291  165.453   15.486 -11.59184 20.40808 
1 1 1   10   -4   26 f   75.940   19.248   76.799   36.550   45.333   51.839  107.904   51.540   65.268   24.087   89.539   22.946 -24.27064 33.26726 
1 1 1   10   -4   27 o  260.178   11.471  854.297   74.529  889.122   98.990  808.722  113.242  264.003   15.078  250.512   18.227 13.49072 23.65505 
1 1 1   10   -4   28 o  190.109   10.467  457.169   49.499  437.788   62.177  490.708   81.794  185.217   13.537  194.987   16.967 -9.769501 21.70572 
1 1 1   10   -4   29 o  161.362   10.742  330.574   43.036  309.853   52.878  371.228   74.068  155.368   13.772  168.691   17.854 -13.32373 22.54827 
1 1 1   10   -4   30 o  109.806   11.724  154.869   31.650  176.580   37.274   98.758   59.922  116.980   12.978   84.646   25.916 32.33363 28.98449 
1 1 1   10   -4   31 o   72.623   18.290   71.851   33.151   71.851   33.151   0.0000   0.0000   72.623   18.290  ?   ?  0.000000 18.29017 
1 1 1   10   -4   32 o   40.729   14.982   17.744   20.031   22.489   21.836  -7.4421   50.310   44.144   15.723   48.143   21.278 -3.998589 26.45650 
1 1 1   10   -4   33 o   65.761   15.671   59.019   25.369   66.878   28.478   28.805   55.836   69.804   16.583   58.878   24.028 10.92620 29.19454 
1 1 1   10   -4   34 o  198.173   11.617  508.614   57.236  549.864   68.975  417.404  102.565  204.760   13.566  168.947   25.071 35.81203 28.50643 
1 1 1   10   -4   35 o   57.576   21.256   41.314   40.377   88.818   60.646   3.4927   54.114   77.120   26.283   51.054   22.332 26.06604 34.48891 
1 1 1   10   -4   36 o  104.055   13.677  145.169   34.678  127.685   40.346  194.610   67.848   95.434   17.577  112.883   24.751 -17.44942 30.35733 
1 1 1   10   -4   37 o  230.724   12.875  706.405   73.887  769.783   89.521  570.975  130.862  238.244   15.125  186.918   28.973 51.32613 32.68398 
1 1 1   10   -4   38 o  117.410   14.100  188.375   40.514  197.600   47.078  162.042   79.544  118.620   16.326   94.411   30.006 24.20943 34.15949 
1 1 1   10   -3    0 o  346.431   12.197  1501.33  105.515  1547.01  149.463  1455.95  148.979  351.345   17.035  340.358   17.588 10.98773 24.48572 
1 1 1   10   -3    1 o  380.934   12.598  1815.50  119.844  1922.00  169.913  1710.07  169.059  391.592   17.376  369.292   18.332 22.29962 25.25847 
1 1 1   10   -3    2 o  608.947   18.966  4651.09  288.410  4761.72  408.075  4540.67  407.673  614.803   26.580  600.238   27.198 14.56470 38.02922 
1 1 1   10   -3    3 o  398.748   13.311  1989.72  132.547  1964.26  187.608  2015.09  187.292  395.731   18.985  400.846   18.711 -5.114288 26.65533 
1 1 1   10   -3    4 o  652.528   20.229  5344.12  329.631  5286.68  466.230  5401.53  466.106  647.280   28.844  654.349   28.525 -7.068726 40.56670 
1 1 1   10   -3    5 o  384.835   13.226  1853.31  127.099  1817.20  179.796  1889.38  179.693  380.621   18.916  388.141   18.539 -7.520111 26.48641 
1 1 1   10   -3    6 o  335.971   17.076  1418.38  142.796  1407.67  202.031  1429.07  201.858  333.591   24.422  336.167   24.208 -2.576263 34.38688 
1 1 1   10   -3    7 o  316.696   16.390  1260.19  129.177  1314.15  183.014  1206.61  182.355  322.486   22.874  308.780   23.834 13.70621 33.03460 
1 1 1   10   -3    8 o  311.612   11.503  1214.69   89.513  1169.97  126.894  1258.97  126.288  305.052   16.722  316.561   16.028 -11.50900 23.16242 
1 1 1   10   -3    9 o  312.987   11.553  1225.60   90.299  1256.71  128.400  1195.15  127.017  316.202   16.317  308.309   16.558 7.892761 23.24680 
1 1 1   10   -3   10 o  641.547   20.046  5172.81  321.146  5067.86  454.084  5277.84  454.254  632.827   28.734  645.975   28.160 -13.14807 40.23236 
1 1 1   10   -3   11 o  419.857   14.089  2208.98  147.714  2187.56  209.163  2230.29  208.637  417.041   20.084  421.131   19.839 -4.090302 28.23066 
1 1 1   10   -3   12 o  493.301   16.051  3054.54  197.724  2919.91  279.640  3189.14  279.607  480.905   23.286  502.825   22.268 -21.91959 32.21936 
1 1 1   10   -3   13 o  157.993   8.9700  313.262   35.244  282.476   50.375  342.779   49.326  149.471   13.647  164.973   12.057 -15.50174 18.20984 
1 1 1   10   -3   14 o  169.468   8.9131  360.345   37.587  292.757   53.298  427.222   53.017  152.060   14.200  184.285   11.579 -32.22415 18.32292 
1 1 1   10   -3   15 o  196.313   9.2700  482.469   45.444  449.493   64.402  515.173   64.135  188.692   13.763  202.222   12.766 -13.52942 18.77172 
1 1 1   10   -3   16 o  304.252   16.349  1170.08  123.757  1123.32  175.365  1216.47  174.675  296.036   23.926  308.483   22.837 -12.44769 33.07594 
1 1 1   10   -3   17 o  234.812   9.6871  691.057   56.802  630.473   79.816  753.226   80.854  223.320   14.389  244.382   13.299 -21.06149 19.59356 
1 1 1   10   -3   18 o  179.176   9.1222  403.402   40.681  405.768   56.990  400.944   58.089  179.153   12.823  178.020   13.160 1.132935 18.37477 
1 1 1   10   -3   19 f  250.287   9.9029  785.992   61.894  705.716   86.631  869.696   88.462  236.011   14.774  262.380   13.547 -26.36919 20.04470 
1 1 1   10   -3   20 o  215.776   9.2255  583.975   49.710  539.279   69.121  631.857   71.542  206.398   13.485  223.611   12.866 -17.21265 18.63824 
1 1 1   10   -3   21 o  183.809   8.7933  423.680   40.362  383.502   55.010  470.531   59.403  174.009   12.748  192.906   12.397 -18.89703 17.78211 
1 1 1   10   -3   22 o   91.921   13.731  108.934   30.552  108.098   35.889  111.134   58.230   90.999   16.396   91.192   24.879 -0.1932068 29.79639 
1 1 1   10   -3   23 o   81.751   11.943   85.898   23.662  102.527   29.737   57.194   39.068   89.089   13.814   66.989   20.996 22.09932 25.13235 
1 1 1   10   -3   24 o  145.536   10.213  267.484   36.882  289.558   48.245  236.444   57.211  150.955   12.923  135.294   17.332 15.66103 21.61949 
1 1 1   10   -3   25 o   91.814   11.220  107.669   25.189  116.993   30.583   88.003   44.415   95.380   13.193   81.270   21.538 14.10987 25.25804 
1 1 1   10   -3   26 o  157.886   10.153  314.760   39.819  318.199   50.971  309.375   63.786  158.188   13.019  155.051   16.740 3.137070 21.20626 
1 1 1   10   -3   27 o  246.861   13.681  773.817   84.009  862.359  137.280  720.807  106.221  257.565   21.541  236.742   18.105 20.82256 28.13913 
1 1 1   10   -3   28 o  212.168   11.610  569.955   61.281  564.589   73.837  581.835  109.853  210.464   14.131  211.076   21.125 -0.6114655 25.41537 
1 1 1   10   -3   29 o  123.889   10.987  195.292   33.638  200.836   40.364  182.688   60.860  125.165   13.109  116.747   21.673 8.417397 25.32906 
1 1 1   10   -3   30 o  207.579   10.695  546.292   55.248  543.108   69.490  551.761   91.088  206.021   13.583  205.859   17.897 0.1617279 22.46807 
1 1 1   10   -3   31 o   95.991   12.728  119.448   29.758  137.437   34.378   65.682   59.434  102.785   13.737   72.773   25.937 30.01268 29.35035 
1 1 1   10   -3   32 f   33.958   14.465   0.9773   21.551   0.9773   21.551   0.0000   0.0000   33.958   14.465  ?   ?  0.000000 14.46495 
1 1 1   10   -3   33 o   85.271   15.453   97.488   31.693   97.488   31.693   0.0000   0.0000   85.271   15.453  ?   ?  0.000000 15.45278 
1 1 1   10   -3   34 o  143.687   11.697  267.306   41.607  292.508   49.341  205.287   77.404  149.562   13.351  117.146   27.012 32.41632 30.13149 
1 1 1   10   -3   35 o   49.074   16.415   31.044   23.653   32.674   26.342   24.260   53.736   50.597   17.322   56.389   23.350 -5.792309 29.07361 
1 1 1   10   -3   36 o  144.219   12.458  272.895   44.425  302.153   52.794  201.921   82.225  150.745   14.191  112.296   29.088 38.44948 32.36565 
1 1 1   10   -3   37 o  240.400   16.978  791.437  101.265  853.606  145.566  733.135  140.965  238.297   24.826  218.497   26.368 19.79988 36.21661 
1 1 1   10   -3   38 o   96.645   15.243  128.861   35.569  133.975   41.629  115.025   68.463   96.961   17.850   83.069   27.927 13.89202 33.14462 
1 1 1   10   -3   39 o   49.375   18.147   31.350   29.379   35.874   33.067   14.394   64.013   52.184   19.242   54.440   24.034 -2.256275 30.78762 
1 1 1   10   -2    0 f  148.306   8.6763  275.830   31.992  279.678   45.522  272.074   44.971  149.009   12.345  146.953   12.370 2.056503 17.47593 
1 1 1   10   -2    1 o  519.614   16.597  3383.09  215.361  3379.93  304.602  3386.24  304.531  518.452   23.527  518.940   23.500 -0.4881592 33.25325 
1 1 1   10   -2    2 o  233.842   9.7189  683.581   56.753  729.024   80.707  639.128   79.823  240.983   13.465  225.509   14.248 15.47374 19.60402 
1 1 1   10   -2    3 o  411.436   13.812  2118.73  141.907  2148.35  200.848  2089.20  200.526  413.814   19.436  408.052   19.679 5.761993 27.65921 
1 1 1   10   -2    4 o  480.977   15.529  2897.26  186.517  2993.51  264.080  2801.45  263.470  488.202   21.661  472.192   22.344 16.00974 31.12025 
1 1 1   10   -2    5 o  489.783   15.770  3004.64  192.881  3017.18  272.922  2992.12  272.629  490.036   22.303  487.987   22.372 2.049103 31.59024 
1 1 1   10   -2    6 o  348.701   12.384  1521.17  107.834  1464.87  152.592  1577.33  152.410  341.352   17.964  354.757   17.204 -13.40552 24.87358 
1 1 1   10   -2    7 o  246.082   10.167  757.119   62.476  730.611   88.575  783.364   88.136  241.105   14.783  249.751   14.190 -8.645645 20.49126 
1 1 1   10   -2    8 o  624.502   19.652  4894.85  306.477  4866.81  433.531  4922.86  433.316  621.070   27.953  624.676   27.778 -3.606445 39.40793 
1 1 1   10   -2    9 o  601.303   38.840  4628.35  580.089   0.0000   0.0000  4628.35  580.089  ?   ?   601.303   38.840 0.000000 38.83989 
1 1 1   10   -2   10 o  397.849   27.511  2008.01  271.643  2008.01  271.643   0.0000   0.0000  397.849   27.511  ?   ?  0.000000 27.51091 
1 1 1   10   -2   11 o  591.982   18.569  4400.32  274.507  4319.59  388.378  4480.90  388.046  584.804   26.595  595.753   26.084 -10.94934 37.25084 
1 1 1   10   -2   12 o  499.869   16.092  3134.66  200.877  3020.95  284.131  3248.29  284.034  489.465   23.246  507.725   22.402 -18.26041 32.28365 
1 1 1   10   -2   13 o  806.602   24.780  8227.25  499.133  7679.09  705.349  8777.07  706.415  773.573   36.513  828.434   34.147 -54.86029 49.99236 
1 1 1   10   -2   14 o  337.047   11.970  1423.24  100.746  1300.75  142.441  1545.84  142.510  321.070   17.836  350.762   16.270 -29.69189 24.14195 
1 1 1   10   -2   15 o  168.554   8.8359  356.458   37.062  307.168   52.352  405.980   52.475  155.872   13.586  179.599   11.765 -23.72737 17.97199 
1 1 1   10   -2   16 o  242.769   9.8671  738.129   59.818  693.291   84.534  783.097   84.657  234.424   14.512  249.341   13.648 -14.91696 19.92137 
1 1 1   10   -2   17 o  206.263   11.088  535.095   56.900  493.246   99.820  555.238   69.253  196.204   20.685  209.794   13.288 -13.58966 24.58508 
1 1 1   10   -2   18 o  194.093   13.516  476.159   65.100  447.152   92.303  504.870   91.829  186.662   20.120  198.811   18.717 -12.14902 27.47970 
1 1 1   10   -2   19 o  257.063   10.270  829.097   65.924  791.050   92.539  868.304   93.938  250.000   14.890  262.073   14.409 -12.07285 20.72071 
1 1 1   10   -2   20 o   63.346   11.154   51.881   16.999   47.129   21.870   59.136   27.020   59.936   14.719   67.057   16.296 -7.120171 21.95932 
1 1 1   10   -2   21 o  195.702   9.0288  480.278   44.124  444.648   60.937  519.549   63.976  187.411   13.103  202.731   12.701 -15.31950 18.24865 
1 1 1   10   -2   22 o  172.704   8.7202  374.941   37.486  331.873   50.761  426.604   55.595  161.827   12.662  183.686   12.189 -21.85927 17.57591 
1 1 1   10   -2   23 o   97.713   9.6127  120.993   23.152  105.805   29.233  146.547   37.920   90.654   13.310  106.721   14.612 -16.06718 19.76554 
1 1 1   10   -2   24 o  308.718   16.572  1213.03  127.294  1189.08  173.703  1240.80  187.084  302.943   23.136  308.847   24.457 -5.904938 33.66665 
1 1 1   10   -2   25 o  207.982   10.340  543.722   53.702  534.020   72.491  555.524   79.947  205.030   14.247  208.829   15.440 -3.798431 21.00896 
1 1 1   10   -2   26 o  172.021   10.050  373.173   42.983  370.829   55.921  376.558   67.195  170.864   13.209  171.551   15.865 -0.6870880 20.64375 
1 1 1   10   -2   27 o  170.620   10.743  367.822   45.537  394.628   58.824  327.738   71.934  176.171   13.473  159.149   18.442 17.02242 22.83917 
1 1 1   10   -2   28 o  306.545   11.920  1185.88   91.249  1175.53  123.118  1198.49  135.923  303.395   16.310  305.666   17.885 -2.271820 24.20533 
1 1 1   10   -2   29 o   78.885   19.419   83.239   37.997   82.677   54.367   83.777   53.128   79.292   24.754   79.596   24.408 -0.3043900 34.76404 
1 1 1   10   -2   30 f  104.631   11.265  139.920   28.969  152.807   34.032  106.012   55.203  109.062   12.735   88.186   24.293 20.87631 27.42859 
1 1 1   10   -2   31 o  104.225   12.507  139.963   31.903  166.444   37.259   67.201   61.762  113.540   13.399   74.151   26.439 39.38839 29.64037 
1 1 1   10   -2   32 o   99.649   24.815  139.476   61.515   0.0000   0.0000  139.476   61.515  ?   ?    99.649   24.815 0.000000 24.81509 
1 1 1   10   -2   33 o   87.617   13.148  100.596   27.879  108.208   31.944   76.268   57.111   90.455   14.642   75.284   25.506 15.17154 29.40991 
1 1 1   10   -2   34 o  127.834   18.034  220.594   55.969  220.594   55.969   0.0000   0.0000  127.834   18.034  ?   ?  0.000000 18.03383 
1 1 1   10   -2   35 o   88.617   13.965  104.575   29.880  118.266   34.490   63.375   59.830   93.831   15.243   69.855   25.858 23.97600 30.01621 
1 1 1   10   -2   36 o  111.364   12.857  163.305   35.098  172.561   41.082  138.293   67.536  113.575   14.840   94.759   27.148 18.81599 30.93915 
1 1 1   10   -2   37 o   52.768   17.156   37.362   25.897   43.100   29.124   15.692   56.599   56.237   18.186   54.669   23.368 1.568245 29.61108 
1 1 1   10   -2   38 o  109.118   20.221  172.060   53.070  213.522   78.848  137.720   71.757  115.219   27.737   91.487   28.419 23.73251 39.71141 
1 1 1   10   -2   39 o   34.287   15.107  -2.8863   25.173  -6.6379   27.855   13.826   58.791   34.890   15.601   53.577   23.360 -18.68731 28.09053 
1 1 1   10   -1    0 o   80.243   9.3570   81.580   18.398   87.996   26.239   75.376   25.803   82.847   13.120   76.402   14.042 6.445427 19.21720 
1 1 1   10   -1    1 o  214.926   9.4259  577.438   50.590  578.860   71.599  576.019   71.490  214.646   13.425  214.115   13.439 0.5306854 18.99569 
1 1 1   10   -1    2 o  118.468   8.6939  176.348   25.540  162.601   36.188  189.991   36.050  113.250   13.034  122.667   11.919 -9.416779 17.66212 
1 1 1   10   -1    3 o  433.711   14.394  2354.89  155.899  2356.96  220.582  2352.82  220.369  433.328   20.385  432.947   20.383 0.3810425 28.82692 
1 1 1   10   -1    4 o  624.370   19.503  4890.93  304.091  4908.07  430.078  4873.79  430.022  623.965   27.602  621.761   27.696 2.203430 39.10144 
1 1 1   10   -1    5 o  701.112   21.668  6173.75  379.372  6219.25  536.621  6128.29  536.406  701.641   30.627  696.434   30.843 5.207153 43.46630 
1 1 1   10   -1    6 o  476.693   15.604  2845.95  185.746  2873.16  262.837  2818.81  262.533  478.244   22.008  473.675   22.195 4.568695 31.25664 
1 1 1   10   -1    7 o  505.752   16.388  3204.61  206.972  3154.76  292.786  3254.40  292.620  500.918   23.406  508.823   23.030 -7.905518 32.83616 
1 1 1   10   -1    8 o  370.044   18.122  1717.02  167.463   0.0000   0.0000  1717.02  167.463  ?   ?   370.044   18.122 0.000000 18.12233 
1 1 1   10   -1    9 o  316.411   16.404  1257.89  129.169  1257.89  129.169   0.0000   0.0000  316.411   16.404  ?   ?  0.000000 16.40402 
1 1 1   10   -1   10 o  271.693   10.446  923.094   70.873  969.997  100.789  877.217   99.680  277.930   14.573  264.199   15.172 13.73099 21.03720 
1 1 1   10   -1   11 o  226.462   13.589  644.420   76.492  679.758  108.667  609.713  107.692  231.941   18.927  219.443   19.868 12.49811 27.43970 
1 1 1   10   -1   12 o  316.644   16.359  1260.74  128.909  1132.74  182.248  1388.90  182.363  298.714   24.652  331.454   22.160 -32.74011 33.14812 
1 1 1   10   -1   13 o  604.521   18.892  4593.32  285.190  4646.48  403.608  4540.31  403.031  606.021   26.670  598.977   26.945 7.044739 37.91194 
1 1 1   10   -1   14 o  512.691   16.228  3300.33  207.759  3299.69  294.057  3300.96  293.575  511.199   23.035  511.308   22.992 -0.1089478 32.54645 
1 1 1   10   -1   15 o  274.869   10.527  945.891   72.254  929.484  102.545  962.068  101.824  271.664   15.177  276.457   14.803 -4.793182 21.20037 
1 1 1   10   -1   16 o  604.056   19.113  4602.51  288.306  4396.40  407.509  4809.06  407.943  587.071   27.797  614.562   26.582 -27.49139 38.46107 
1 1 1   10   -1   17 o  188.142   9.0318  443.138   42.434  424.356   59.977  461.963   60.045  183.374   13.186  191.446   12.631 -8.072479 18.25912 
1 1 1   10   -1   18 f  161.628   8.5584  327.976   34.420  265.258   48.170  393.408   49.201  144.650   13.491  176.742   11.206 -32.09200 17.53778 
1 1 1   10   -1   19 o  337.030   17.373  1439.98  145.719  1487.43  206.749  1393.15  205.413  340.051   24.511  328.765   25.212 11.28616 35.16356 
1 1 1   10   -1   20 o  140.981   12.924  252.151   44.993  271.961   64.328  233.180   62.953  145.406   18.108  134.186   19.346 11.22093 26.49886 
1 1 1   10   -1   21 o  120.632   8.9363  183.417   26.728  166.894   36.140  203.367   39.711  114.434   12.870  126.481   12.747 -12.04765 18.11404 
1 1 1   10   -1   22 o  121.833   8.4113  186.907   25.434  147.441   33.305  242.127   39.395  107.488   12.650  138.299   11.512 -30.81123 17.10376 
1 1 1   10   -1   23 o   71.445   10.329   65.417   17.893   50.048   21.758   97.519   31.446   61.740   14.380   86.619   15.086 -24.87922 20.84188 
1 1 1   10   -1   24 o  198.099   9.6636  492.645   47.805  477.710   65.110  510.112   70.415  194.118   13.516  200.480   14.156 -6.361679 19.57224 
1 1 1   10   -1   25 o  445.600   20.597  2542.33  229.193  2348.24  318.574  2750.58  329.983  421.153   30.498  457.128   29.058 -35.97519 42.12457 
1 1 1   10   -1   26 o  251.610   15.722  805.645   98.286  833.359  129.523  768.025  150.909  254.236   20.578  242.041   25.343 12.19501 32.64558 
1 1 1   10   -1   27 o  179.437   9.9081  405.826   44.225  396.699   57.286  419.289   69.577  176.787   13.069  181.184   15.528 -4.396851 20.29565 
1 1 1   10   -1   28 o  346.448   12.703  1515.59  109.903  1520.49  150.663  1510.02  160.672  344.841   17.554  343.045   18.828 1.795685 25.74161 
1 1 1   10   -1   29 o  110.011   11.037  154.004   29.912  146.487   35.729  171.614   54.690  106.709   13.727  113.996   19.938 -7.287651 24.20615 
1 1 1   10   -1   30 o  222.362   10.962  623.803   60.867  621.211   78.011  627.836   97.313  220.687   14.231  220.561   17.820 0.1265411 22.80567 
1 1 1   10   -1   31 o   47.669   19.010   16.248   34.067  -7.5719   49.426   37.806   47.020   48.641   21.307   60.683   22.832 -12.04173 31.22981 
1 1 1   10   -1   32 o   27.700   12.244  -4.9305   16.662  -9.6149   17.760   29.482   48.135   27.029   12.239   57.988   22.763 -30.95933 25.84492 
1 1 1   10   -1   33 o  129.590   11.545  215.357   36.968  217.481   43.742  210.046   69.158  129.536   13.732  123.266   23.321 6.270874 27.06392 
1 1 1   10   -1   34 o   76.603   14.524   78.229   26.767   86.294   30.730   52.873   54.488   80.110   15.922   66.592   24.671 13.51832 29.36320 
1 1 1   10   -1   35 o   45.087   17.077   20.736   26.407   20.736   26.407   0.0000   0.0000   45.087   17.077  ?   ?  0.000000 17.07668 
1 1 1   10   -1   36 o   81.121   14.954   88.817   29.177   97.233   33.111   59.573   61.721   84.430   16.295   68.879   26.103 15.55017 30.77121 
1 1 1   10   -1   37 o   89.693   14.479  108.183   31.326  100.834   36.157  130.303   62.731   85.173   17.582   92.469   26.052 -7.296043 31.43040 
1 1 1   10   -1   38 o   51.557   17.221   35.178   26.031   26.797   29.263   66.956   56.984   48.318   18.045   69.176   25.297 -20.85839 31.07315 
1 1 1   10   -1   39 o  125.046   13.125  208.471   40.374  222.365   47.693  173.335   75.842  127.821   15.242  102.273   28.586 25.54723 32.39616 
1 1 1   10   -1   40 o   46.318   20.419   2.3290   46.045   9.7776   70.184  -3.2998   61.011   55.862   24.886   50.675   22.838 5.187553 33.77751 
1 1 1   10    0    0 o  565.623   17.961  4011.93  253.697  4020.74  358.814  4003.12  358.749  565.021   25.430  563.771   25.482 1.249390 36.00074 
1 1 1   10    0    1 f  341.711   11.783  1460.63  100.547  1511.48  142.394  1410.06  141.998  347.306   16.418  334.979   17.031 12.32672 23.65639 
1 1 1   10    0    2 o  646.754   20.236  5250.87  326.821  5298.08  462.302  5203.71  462.087  647.933   28.572  642.078   28.819 5.855713 40.58244 
1 1 1   10    0    3 o  1032.67   31.419 13485.15  810.226 13557.02  1145.96 13413.31  1145.70  1028.84   44.604  1023.24   44.838 5.602966 63.24495 
1 1 1   10    0    4 o  578.103   18.323  4190.70  264.520  4235.81  374.201  4145.64  373.976  579.985   25.837  573.729   26.103 6.256409 36.72721 
1 1 1   10    0    5 o  698.113   21.664  6121.22  377.671  6082.41  534.101  6160.04  534.115  693.805   30.827  698.271   30.631 -4.466187 43.45771 
1 1 1   10    0    6 o  461.158   15.111  2662.92  174.016  2717.11  246.207  2608.84  245.986  465.186   21.195  455.772   21.613 9.413269 30.27079 
1 1 1   10    0    7 o  763.252   23.529  7324.19  448.461  7306.55  634.300  7341.81  634.137  759.669   33.436  761.528   33.346 -1.858826 47.22254 
1 1 1   10    0    8 o  584.233   18.351  4279.97  267.728  4222.60  378.767  4337.25  378.482  579.030   26.195  586.909   25.824 -7.879272 36.78399 
1 1 1   10    0    9 o  367.456   12.780  1689.46  117.274  1580.62  165.798  1798.44  165.903  354.496   18.796  378.769   17.540 -24.27301 25.70902 
1 1 1   10    0   10 o  827.026   25.378  8614.02  524.125  8593.65  741.253  8634.39  741.195  822.443   36.092  824.425   36.002 -1.982178 50.97837 
1 1 1   10    0   11 o  565.454   17.613  4009.81  248.706  4098.46  352.112  3921.56  351.338  570.459   24.718  557.913   25.218 12.54523 35.31142 
1 1 1   10    0   12 o  168.979   8.6787  357.869   36.498  385.838   52.475  331.659   50.798  175.181   12.069  162.294   12.634 12.88620 17.47201 
1 1 1   10    0   13 o  206.152   13.071  534.290   66.940  545.349   95.317  523.527   94.030  207.568   18.586  203.316   18.731 4.251450 26.38704 
1 1 1   10    0   14 o  258.837   14.560  842.549   93.726  818.703  132.830  866.194  132.269  254.124   21.123  261.568   20.412 -7.443161 29.37353 
1 1 1   10    0   15 o  445.618   14.699  2491.14  163.565  2348.15  231.286  2634.20  231.346  431.491   21.465  457.267   20.260 -25.77600 29.51628 
1 1 1   10    0   16 o  245.778   10.065  756.158   61.776  730.948   87.685  781.004   87.048  240.866   14.648  249.092   14.051 -8.225845 20.29763 
1 1 1   10    0   17 o  112.835   8.6843  160.253   24.282  152.277   34.528  168.057   34.154  109.428   12.882  115.152   12.056 -5.724586 17.64370 
1 1 1   10    0   18 o  257.031   10.403  827.877   66.769  781.312   94.265  874.761   94.586  248.725   15.250  263.381   14.436 -14.65616 20.99954 
1 1 1   10    0   19 o  144.958   8.4039  263.954   30.290  233.748   42.474  295.215   43.209  135.826   12.669  152.966   11.393 -17.14020 17.03840 
1 1 1   10    0   20 o  146.740   8.1920  270.472   29.899  207.210   41.206  340.809   43.449  127.693   13.108  164.473   10.636 -36.77940 16.88045 
1 1 1   10    0   21 o  399.747   19.587  2031.60  195.523  2021.42  276.826  2041.74  276.197  394.019   28.323  396.129   28.103 -2.109375 39.90016 
1 1 1   10    0   22 o  160.673   10.071  325.245   40.205  301.837   48.609  375.939   71.534  154.336   12.726  171.481   16.926 -17.14517 21.17620 
1 1 1   10    0   23 o  222.526   10.481  621.908   58.244  655.260   80.880  585.984   83.943  227.407   14.316  214.659   15.770 12.74818 21.29869 
1 1 1   10    0   24 o  298.174   11.645  1118.51   86.707  1152.03  121.246  1083.42  124.047  301.143   16.182  291.719   17.103 9.423340 23.54520 
1 1 1   10    0   25 o  275.747   11.080  956.125   76.298  963.959  105.711  947.606  110.235  275.553   15.425  272.951   16.246 2.601227 22.40217 
1 1 1   10    0   26 o   88.274   11.267   99.586   24.270  110.686   30.011   78.605   41.259   92.742   13.342   77.060   20.909 15.68233 24.80310 
1 1 1   10    0   27 o  229.021   13.542  664.641   77.106  534.955   96.156  898.244  129.053  203.839   19.113  264.350   19.691 -60.51117 27.44179 
1 1 1   10    0   28 o  124.671   11.127  197.172   34.277  212.855   42.703  168.767   57.470  129.124   13.440  112.908   21.160 16.21615 25.06809 
1 1 1   10    0   29 o  117.808   10.564  176.027   30.749  145.992   37.040  242.615   55.152  106.454   14.295  137.167   16.428 -30.71299 21.77657 
1 1 1   10    0   30 o  184.689   11.032  431.459   50.646  442.148   64.385  414.111   82.027  186.263   13.943  178.799   18.646 7.463623 23.28256 
1 1 1   10    0   31 o  136.321   20.163  245.094   66.567   0.0000   0.0000  245.094   66.567  ?   ?   136.321   20.163 0.000000 20.16269 
1 1 1   10    0   32 o  134.424   22.996  243.931   74.419  243.931   74.419   0.0000   0.0000  134.424   22.996  ?   ?  0.000000 22.99629 
1 1 1   10    0   33 o   87.869   13.127  100.548   27.920  104.746   32.253   87.995   55.773   89.192   15.014   80.415   25.067 8.777138 29.21939 
1 1 1   10    0   34 o   45.471   15.354   25.253   20.694   21.471   22.834   42.636   48.958   44.186   16.035   62.115   23.312 -17.92929 28.29440 
1 1 1   10    0   35 o   48.371   15.949   29.617   22.352   40.722   25.079 -13.2780   49.289   55.321   16.730   46.400   20.750 8.921410 26.65412 
1 1 1   10    0   36 o   53.617   16.348   38.394   23.876   41.730   26.921   26.099   51.684   55.879   17.415   56.842   23.148 -0.9635811 28.96730 
1 1 1   10    0   37 o   69.678   19.926   68.425   36.416   68.425   36.416   0.0000   0.0000   69.678   19.926  ?   ?  0.000000 19.92641 
1 1 1   10    0   38 o  117.070   13.144  180.973   37.763  192.415   44.469  151.384   71.507  119.687   15.223   98.351   27.852 21.33549 31.74087 
1 1 1   10    0   39 o   53.683   17.618   38.915   27.287   43.767   30.985   22.151   57.597   56.648   18.783   56.293   23.799 0.3552780 30.31798 
1 1 1   10    0   40 o   78.132   17.601   87.175   33.516  116.093   38.968   4.9768   65.699   90.295   17.914   54.367   24.158 35.92756 30.07512 
1 1 1   10    1    0 o  348.441   10.799  1518.35   93.968  1572.27  133.068  1464.71  132.716  354.309   15.040  341.940   15.543 12.36908 21.62785 
1 1 1   10    1    1 o  136.333   8.5124  233.203   28.835  234.636   40.835  231.777   40.724  136.414   12.113  135.569   12.159 0.8450775 17.16289 
1 1 1   10    1    2 o  460.241   15.143  2652.91  174.043  2688.25  246.235  2617.62  246.034  462.604   21.315  456.451   21.585 6.152771 30.33560 
1 1 1   10    1    3 o  949.587   28.554 11379.51  677.095 11739.18  958.015 11020.53  957.099  959.599   39.979  929.145   41.250 30.45392 57.44451 
1 1 1   10    1    4 o  767.932   23.559  7415.98  451.786  7510.48  639.107  7321.60  638.736  770.100   33.233  760.222   33.646 9.878418 47.29166 
1 1 1   10    1    5 o  709.026   21.984  6315.43  389.237  6415.27  550.650  6215.73  550.277  712.476   30.950  701.177   31.427 11.29907 44.10819 
1 1 1   10    1    6 o  575.028   18.162  4145.67  260.794  4217.40  368.959  4074.05  368.678  578.818   25.526  568.818   25.955 10.00006 36.40406 
1 1 1   10    1    7 o  370.823   18.174  1724.00  168.296   0.0000   0.0000  1724.00  168.296  ?   ?   370.823   18.174 0.000000 18.17421 
1 1 1   10    1    8 o  523.288   23.645  3442.90  308.976  3442.90  308.976   0.0000   0.0000  523.288   23.645  ?   ?  0.000000 23.64468 
1 1 1   10    1    9 o  243.316   10.122  740.162   61.504  711.889   87.225  768.118   86.736  237.997   14.749  247.319   14.102 -9.321320 20.40619 
1 1 1   10    1   10 o  460.600   15.109  2656.79  173.786  2639.28  245.783  2674.30  245.757  458.388   21.472  461.438   21.328 -3.049866 30.26390 
1 1 1   10    1   11 o  199.499   9.1943  497.510   45.805  493.175   65.159  501.745   64.404  198.066   13.250  199.814   12.978 -1.748871 18.54691 
1 1 1   10    1   12 o  695.336   21.497  6077.12  373.267  6247.86  528.321  5906.95  527.439  702.801   30.103  683.116   30.919 19.68506 43.15327 
1 1 1   10    1   13 o  538.102   17.139  3632.02  230.306  3693.54  326.021  3570.74  325.384  541.424   24.113  532.274   24.480 9.150024 34.36161 
1 1 1   10    1   14 o   91.536   9.1001  105.803   20.525  111.325   30.544  101.256   27.716   93.319   13.499   89.016   12.840 4.302971 18.63048 
1 1 1   10    1   15 o  221.143   13.035  614.800   71.664  740.170  102.220  493.612  100.500  242.191   17.009  196.923   20.749 45.26810 26.83014 
1 1 1   10    1   16 o  480.941   22.238  2920.71  267.076  2763.98  377.483  3077.80  377.922  463.750   32.808  490.204   31.033 -26.45419 45.15952 
1 1 1   10    1   17 o  125.147   8.7867  196.907   27.286  198.498   39.123  195.401   38.073  125.186   12.690  124.232   12.440 0.9543610 17.77052 
1 1 1   10    1   18 o  208.892   9.4681  546.321   49.390  607.214   70.386  487.254   69.322  219.599   12.892  196.436   14.228 23.16261 19.19999 
1 1 1   10    1   19 o  326.721   11.706  1339.25   95.510  1289.88  134.925  1388.83  135.217  319.362   16.979  331.967   16.311 -12.60526 23.54477 
1 1 1   10    1   20 o  138.198   9.0320  240.253   30.998  253.641   43.456  226.383   44.231  141.559   12.419  133.508   13.450 8.050156 18.30642 
1 1 1   10    1   21 o  477.480   15.906  2878.72  189.653  3019.44  268.148  2737.86  268.272  486.508   22.072  462.156   23.321 24.35196 32.10934 
1 1 1   10    1   22 o  137.597   9.5930  238.586   32.756  302.410   45.382  169.172   47.327  154.661   11.840  114.393   17.092 40.26787 20.79224 
1 1 1   10    1   23 o  381.447   18.964  1850.15  180.644  1756.07  255.647  1943.97  255.291  366.727   28.130  386.829   26.590 -20.10123 38.70790 
1 1 1   10    1   24 o  307.739   11.726  1191.18   90.116  1239.74  126.096  1140.49  128.835  312.506   16.214  299.356   17.308 13.14969 23.71630 
1 1 1   10    1   25 o  250.189   10.719  786.564   66.970  813.696   92.745  757.006   96.805  253.342   14.724  243.997   15.976 9.344345 21.72583 
1 1 1   10    1   26 o  243.665   10.447  745.985   63.568  776.598   87.275  711.392   92.774  247.575   14.176  236.496   15.800 11.07910 21.22706 
1 1 1   10    1   27 o   93.273   11.430  111.074   26.065  134.951   32.346   66.860   44.017  102.670   12.901   72.052   22.237 30.61842 25.70883 
1 1 1   10    1   28 o  106.494   10.856  144.098   28.466  152.287   34.965  127.999   49.024  109.095   13.096   98.200   20.646 10.89536 24.44960 
1 1 1   10    1   29 f  199.700   15.284  508.511   75.639  503.015   89.938  521.793  139.808  197.687   18.431  197.094   29.297 0.5936127 34.61257 
1 1 1   10    1   30 o  195.425   10.704  482.214   52.040  480.995   66.551  484.132   83.487  194.466   13.794  194.061   17.413 0.4055328 22.21449 
1 1 1   10    1   31 o  314.069   15.038  1254.35  117.943  1216.83  190.804  1277.55  150.041  303.380   25.420  314.645   19.187 -11.26559 31.84847 
1 1 1   10    1   32 o  123.455   11.865  194.558   36.128  201.192   42.441  177.100   68.850  125.084   13.818  113.791   24.920 11.29322 28.49436 
1 1 1   10    1   33 o   69.045   14.619   63.159   24.421   64.649   27.844   58.192   50.840   69.569   16.311   68.838   24.037 0.7311554 29.04860 
1 1 1   10    1   34 o   95.706   18.604  123.348   42.861  111.863   62.775  133.379   58.663   89.333   26.343   97.710   24.175 -8.376541 35.75420 
1 1 1   10    1   35 o   81.151   14.091   87.098   27.519   99.156   31.899   52.005   54.419   86.307   15.364   66.516   24.653 19.79066 29.04861 
1 1 1   10    1   36 o   68.645   15.273   63.692   25.505   64.550   29.203   60.934   52.366   68.689   17.094   68.588   24.357 0.1006393 29.75631 
1 1 1   10    1   37 o   42.646   15.675   19.987   21.919   7.7887   24.406   70.864   49.842   38.338   15.793   71.409   23.829 -33.07155 28.58762 
1 1 1   10    1   38 o   69.243   18.811   67.323   33.373   92.238   38.823  -3.1951   65.314   80.786   19.473   54.390   24.131 26.39603 31.00788 
1 1 1   10    1   39 o  111.783   14.155  166.816   38.628  169.215   44.850  159.924   76.018  111.272   16.653  100.114   28.837 11.15844 33.30029 
1 1 1   10    1   40 o   90.246   15.760  112.110   34.224   87.551   39.612  184.421   67.970   77.420   20.256  109.258   25.395 -31.83745 32.48372 
1 1 1   10    1   41 o   46.241   17.817   23.390   29.064   28.732   33.305   6.3295   59.520   49.859   19.107   52.435   23.161 -2.575806 30.02497 
1 1 1   10    2    0 o  461.192   15.055  2664.06  173.386  2661.19  245.247  2666.93  245.163  460.217   21.340  460.718   21.309 -0.5001526 30.15747 
1 1 1   10    2    1 o  335.466   11.826  1407.84   99.066  1416.15  140.152  1399.54  140.048  336.135   16.697  333.724   16.860 2.411133 23.72836 
1 1 1   10    2    2 o  674.706   29.920  5753.07  504.108  5632.12  712.948  5874.00  712.886  661.908   43.373  676.444   42.417 -14.53552 60.66631 
1 1 1   10    2    3 o  443.536   20.787  2470.46  230.239  2539.03  326.054  2402.26  325.162  447.453   29.343  435.002   30.119 12.45035 42.04938 
1 1 1   10    2    4 o  541.447   24.252  3688.65  327.909  4014.93  464.669  3364.99  462.803  562.058   33.254  513.496   36.326 48.56226 49.24879 
1 1 1   10    2    5 o  530.292   23.411  3535.80  310.018  4024.99  439.815  3052.72  437.061  563.384   31.387  489.151   36.034 74.23315 47.78699 
1 1 1   10    2    6 o  337.962   17.221  1435.14  144.858  1374.94  205.266  1494.86  204.458  329.596   25.129  343.952   23.954 -14.35623 34.71649 
1 1 1   10    2    7 f  735.782   26.189  6817.40  481.193  7075.75  589.734  6302.78  832.338  748.159   31.565  699.018   47.973 49.14099 57.42635 
1 1 1   10    2    8 o  702.774   21.669  6202.63  380.285  6179.97  537.804  6225.30  537.804  699.427   30.791  702.018   30.678 -2.590881 43.46547 
1 1 1   10    2    9 o  784.484   24.088  7739.73  471.879  7835.78  667.522  7643.78  667.155  786.539   33.986  776.708   34.397 9.830566 48.35454 
1 1 1   10    2   10 o  674.501   20.823  5711.84  350.728  5619.69  495.931  5804.04  496.077  667.130   29.769  678.104   29.296 -10.97321 41.76612 
1 1 1   10    2   11 o  247.060   9.9062  763.109   61.117  788.346   86.812  738.310   86.057  250.570   13.929  242.426   14.278 8.143158 19.94711 
1 1 1   10    2   12 o  151.559   8.5331  288.003   32.164  297.930   46.144  278.623   44.856  153.841   12.109  148.734   12.184 5.106644 17.17800 
1 1 1   10    2   13 o  171.458   8.8525  368.464   37.774  395.993   54.158  342.385   52.712  177.466   12.296  164.890   12.904 12.57562 17.82493 
1 1 1   10    2   14 o  519.977   16.706  3391.27  216.921  3381.25  307.036  3401.27  306.511  518.012   23.735  519.566   23.624 -1.553406 33.48837 
1 1 1   10    2   15 o  588.484   18.501  4351.35  271.889  4490.94  384.976  4212.42  384.044  596.068   25.863  577.072   26.650 18.99652 37.13691 
1 1 1   10    2   16 o  393.589   12.996  1941.09  127.734  1979.23  181.102  1903.34  180.189  396.749   18.279  389.029   18.548 7.720337 26.04137 
1 1 1   10    2   17 o  308.281   11.586  1190.48   89.191  1166.90  126.456  1213.82  125.817  304.233   16.709  310.381   16.290 -6.148285 23.33546 
1 1 1   10    2   18 o  180.272   12.502  409.461   55.933  407.839   78.955  411.096   79.249  179.067   17.897  179.788   17.889 -0.7210846 25.30429 
1 1 1   10    2   19 f  166.557   8.7991  348.200   36.467  390.038   51.889  307.367   51.262  175.948   11.879  155.898   13.295 20.05045 17.82876 
1 1 1   10    2   20 o  269.898   10.476  913.230   70.609  942.336   99.866  884.135   99.845  273.248   14.690  264.554   15.177 8.693848 21.12160 
1 1 1   10    2   21 o  120.383   8.6740  182.447   25.901  194.933   36.056  169.134   37.231  124.041   11.782  115.237   13.175 8.804131 17.67435 
1 1 1   10    2   22 o  324.234   11.883  1321.12   96.216  1304.42  135.607  1338.04  136.538  320.671   16.995  324.819   16.891 -4.147705 23.96148 
1 1 1   10    2   23 o  387.965   13.561  1896.29  131.379  1977.80  185.285  1813.87  186.315  394.592   18.804  377.025   19.859 17.56653 27.34892 
1 1 1   10    2   24 o  283.087   11.523  1007.47   81.461  1128.69  114.350  882.557  116.076  298.456   15.395  263.157   17.768 35.29932 23.50956 
1 1 1   10    2   25 o  328.566   17.249  1373.13  141.029  1371.88  200.064  1374.36  198.831  325.260   24.819  325.648   24.633 -0.3876648 34.96753 
1 1 1   10    2   26 o  145.028   9.8767  265.253   35.557  311.651   47.181  204.262   54.094  156.886   12.137  125.635   17.735 31.25098 21.49078 
1 1 1   10    2   27 o  119.106   10.288  179.513   30.298  183.746   38.710  172.819   48.679  120.021   13.130  115.418   17.433 4.603531 21.82418 
1 1 1   10    2   28 f  109.542   10.735  152.280   28.989  150.085   36.061  156.288   48.737  108.206   13.649  109.340   18.510 -1.134682 22.99829 
1 1 1   10    2   29 o  235.820   11.564  700.252   68.097  777.847   91.322  603.069  102.201  247.442   14.848  216.495   19.100 30.94724 24.19232 
1 1 1   10    2   30 o  145.226   15.485  270.490   55.291  276.690   61.035  242.126  130.548  146.509   16.999  131.070   37.801 15.43922 41.44729 
1 1 1   10    2   31 o  272.507   18.999  956.523  128.481  1070.13  157.925  734.144  220.954  286.724   22.230  226.629   40.530 60.09433 46.22623 
1 1 1   10    2   32 o   81.486   13.657   86.406   26.807   99.213   30.666   44.903   55.203   87.232   14.593   65.941   24.753 21.29041 28.73428 
1 1 1   10    2   33 o  260.785   12.784  863.312   83.252  909.780  101.375  767.058  145.902  266.361   15.305  239.451   24.758 26.91057 29.10667 
1 1 1   10    2   34 o  193.636   11.990  478.089   57.692  499.960   69.787  430.875  102.535  197.194   14.268  178.596   23.566 18.59808 27.54892 
1 1 1   10    2   35 o   75.066   20.229   77.119   38.777   78.164   57.482   76.248   52.529   76.506   25.590   75.258   24.432 1.248611 35.38075 
1 1 1   10    2   36 o   53.823   16.320   38.296   23.842   33.326   27.223   54.661   49.399   51.769   17.609   66.135   23.638 -14.36602 29.47620 
1 1 1   10    2   37 o   74.696   15.010   75.145   27.027   77.577   31.144   67.729   54.389   75.303   16.968   71.119   24.860 4.184044 30.09922 
1 1 1   10    2   38 o  110.039   13.048  158.983   35.156  166.993   41.476  138.541   66.256  111.852   15.247   96.007   26.678 15.84439 30.72725 
1 1 1   10    2   39 o  122.578   12.923  197.436   38.961  214.787   46.455  156.288   71.539  126.875   14.949  100.574   27.633 26.30133 31.41787 
1 1 1   10    2   40 o  113.522   20.497  183.996   55.969  183.996   55.969   0.0000   0.0000  113.522   20.497  ?   ?  0.000000 20.49741 
1 1 1   10    2   41 o   51.634   18.243   34.511   29.342   31.785   33.838   42.775   58.915   51.577   19.376   61.520   24.836 -9.943665 31.50029 
1 1 1   10    3    0 o  106.223   8.4559  141.914   22.244  142.625   31.627  141.219   31.292  106.079   12.159  105.557   12.089 0.5222931 17.14603 
1 1 1   10    3    1 o  443.512   20.649  2470.52  228.699  2626.57  324.162  2315.88  322.701  455.200   28.664  426.893   30.471 28.30658 41.83447 
1 1 1   10    3    2 o  409.846   18.551  2107.20  189.862  1538.66  267.455  2684.75  269.568  347.402   31.161  461.383   23.474 -113.9813 39.01335 
1 1 1   10    3    3 o  840.773   36.796  8987.38  772.549  9082.35  1092.96  8892.55  1092.14  835.949   52.626  826.793   53.179 9.156006 74.81612 
1 1 1   10    3    4 o  882.118   38.267  9903.76  842.943 10491.47  1193.39  9318.57  1190.82  898.450   53.432  844.415   56.803 54.03534 77.98433 
1 1 1   10    3    5 o  473.109   21.956  2812.22  259.400  2791.93  367.115  2832.44  366.580  468.839   31.540  472.312   31.257 -3.473633 44.40474 
1 1 1   10    3    6 o  452.254   30.343  2594.82  340.693   0.0000   0.0000  2594.82  340.693  ?   ?   452.254   30.343 0.000000 30.34267 
1 1 1   10    3    7 o  800.383   50.871  8287.77  1011.48  8287.77  1011.48   0.0000   0.0000  800.383   50.871  ?   ?  0.000000 50.87071 
1 1 1   10    3    8 o  900.617   39.157 10319.87  880.651 10719.33  1246.41  9921.67  1244.45  908.070   55.228  872.093   57.465 35.97668 79.70174 
1 1 1   10    3    9 o  875.365   38.219  9740.96  835.456  9793.01  1181.94  9689.00  1181.09  868.053   54.807  863.248   55.076 4.805237 77.69945 
1 1 1   10    3   10 o  666.056   29.390  5599.20  488.828  5859.72  692.168  5339.98  690.451  676.732   41.154  645.151   43.105 31.58087 59.59603 
1 1 1   10    3   11 o  796.489   28.261  8002.40  562.108  8122.96  688.654  7761.72  972.992  800.490   34.450  774.300   50.599 26.19055 61.21367 
1 1 1   10    3   12 o  377.979   12.984  1787.87  122.550  1802.26  173.538  1773.55  173.088  379.073   18.332  376.032   18.433 3.041321 25.99707 
1 1 1   10    3   13 o  429.879   14.384  2314.14  154.413  2283.39  218.552  2344.79  218.196  426.366   20.527  432.099   20.221 -5.732849 28.81419 
1 1 1   10    3   14 o  475.211   15.405  2829.97  182.807  2955.58  258.970  2705.22  258.089  484.823   21.390  463.694   22.289 21.12842 30.89226 
1 1 1   10    3   15 o  306.211   11.079  1173.22   84.714  1234.85  120.465  1112.92  119.152  313.845   15.371  297.461   16.101 16.38400 22.25957 
1 1 1   10    3   16 o  456.155   15.099  2609.64  171.990  2604.98  243.563  2614.27  242.901  454.721   21.449  455.549   21.352 -0.8281555 30.26542 
1 1 1   10    3   17 o  424.563   14.146  2260.71  149.973  2233.86  212.426  2287.40  211.762  421.059   20.203  426.132   19.900 -5.072876 28.35788 
1 1 1   10    3   18 o  222.619   9.6582  620.280   53.692  628.035   76.315  612.679   75.553  223.315   13.752  220.552   13.787 2.762329 19.47308 
1 1 1   10    3   19 o  229.614   9.8987  660.206   56.758  718.606   80.629  602.841   79.912  238.870   13.573  218.542   14.729 20.32855 20.02907 
1 1 1   10    3   20 o  471.868   21.862  2825.68  257.612  2676.64  363.605  2975.89  365.035  453.938   32.287  479.661   30.635 -25.72229 44.50790 
1 1 1   10    3   21 o  356.724   12.601  1598.70  112.250  1511.35  158.482  1686.65  159.012  345.155   18.454  365.379   17.427 -20.22403 25.38238 
1 1 1   10    3   22 o  192.281   9.2800  463.358   44.559  485.180   62.689  441.076   63.348  196.006   12.879  186.706   13.682 9.300659 18.79055 
1 1 1   10    3   23 f  107.730   10.288  146.939   27.341  212.715   37.825   74.965   39.567  129.571   11.820   75.494   20.472 54.07697 23.63930 
1 1 1   10    3   24 o  100.086   11.010  127.321   27.062  177.345   36.494   66.203   40.338  118.063   12.572   71.444   21.131 46.61906 24.58754 
1 1 1   10    3   25 o  263.070   10.923  869.475   71.755  943.779  100.385  791.849  102.604  272.995   14.780  249.528   16.560 23.46622 22.19692 
1 1 1   10    3   26 o  146.139   11.509  270.198   41.659  301.260   70.144  253.271   51.781  152.800   18.778  140.810   14.955 11.98979 24.00574 
1 1 1   10    3   27 f  345.098   17.850  1517.25  153.299  1530.45  217.522  1504.21  216.080  343.050   25.576  340.050   25.635 2.999542 36.21115 
1 1 1   10    3   28 o   91.879   11.374  107.775   25.539  136.069   31.652   54.999   43.230  103.185   12.542   66.898   22.186 36.28624 25.48583 
1 1 1   10    3   29 o  205.837   10.911  534.307   55.883  533.465   74.288  535.405   84.814  204.874   14.616  204.692   16.739 0.1826019 22.22251 
1 1 1   10    3   30 o  164.803   16.405  348.213   66.615   0.0000   0.0000  348.213   66.615  ?   ?   164.803   16.405 0.000000 16.40458 
1 1 1   10    3   31 f  181.618   11.308  417.091   51.031  459.288   60.998  318.688   93.151  190.262   12.915  154.727   24.958 35.53560 28.10129 
1 1 1   10    3   32 o  190.941   18.425  471.310   86.763  471.310   86.763   0.0000   0.0000  190.941   18.425  ?   ?  0.000000 18.42528 
1 1 1   10    3   33 o  117.606   11.944  176.682   34.590  203.846   40.924  108.744   64.721  126.116   13.190   89.567   26.829 36.54807 29.89580 
1 1 1   10    3   34 o   48.927   15.362   30.447   20.904   28.145   23.353   39.726   46.891   48.273   16.310   61.201   22.845 -12.92807 28.06958 
1 1 1   10    3   35 o  145.797   11.345  271.435   40.981  276.153   49.021  260.485   74.680  146.381   13.565  138.562   22.343 7.818970 26.13810 
1 1 1   10    3   36 o   30.068   13.067  -2.3216   18.272 -10.5562   20.106   36.721   43.780   28.737   13.016   58.444   22.023 -29.70704 25.58205 
1 1 1   10    3   37 o   54.294   20.234   32.639   36.755   15.408   55.776   45.866   48.867   55.915   23.517   62.698   23.337 -6.783005 33.13146 
1 1 1   10    3   38 o  137.030   12.362  243.800   41.845  271.422   50.460  182.985   74.874  143.767   14.243  110.721   27.262 33.04607 30.75808 
1 1 1   10    3   39 o   43.936   16.434   20.636   24.289   35.681   27.586 -31.2637   51.235   52.597   17.727   43.350   20.055 9.247166 26.76687 
1 1 1   10    3   40 o   51.819   17.628   34.739   27.280   41.075   31.430   15.390   54.925   55.795   18.922   54.385   23.128 1.410484 29.88161 
1 1 1   10    3   41 o   59.330   18.538   49.095   30.484   37.013   35.148   85.773   61.238   54.388   19.871   75.590   26.382 -21.20211 33.02781 
1 1 1   10    3   42 o   79.700   23.482   97.823   49.901   97.823   49.901   0.0000   0.0000   79.700   23.482  ?   ?  0.000000 23.48243 
1 1 1   10    4    0 o  434.896   14.468  2368.35  157.126  2349.20  222.208  2387.50  222.212  432.498   20.574  436.030   20.408 -3.531860 28.97917 
1 1 1   10    4    1 o  111.059   11.878  156.056   32.430   73.610   46.151  236.476   45.581   76.050   22.627  136.786   13.521 -60.73563 26.35941 
1 1 1   10    4    2 o  675.753   29.947  5771.75  505.354  5581.17  714.615  5962.40  714.742  658.674   43.694  681.547   42.203 -22.87347 60.74770 
1 1 1   10    4    3 o  293.019   14.475  1075.09  105.918  1365.81  151.208  795.016  148.413  329.470   18.453  250.232   24.047 79.23810 30.31098 
1 1 1   10    4    4 o  705.817   21.811  6259.56  384.429  6399.86  543.904  6119.51  543.426  711.516   30.612  695.567   31.286 15.94983 43.77085 
1 1 1   10    4    5 o  609.451   19.072  4659.68  290.266  4912.59  411.050  4408.13  409.949  624.430   26.361  591.210   27.768 33.21991 38.28751 
1 1 1   10    4    6 o  561.379   25.251  3966.88  353.982  3966.88  353.982   0.0000   0.0000  561.379   25.251  ?   ?  0.000000 25.25079 
1 1 1   10    4    7 o  350.028   12.328  1532.69  107.756  1487.30  152.366  1578.11  152.414  343.995   17.798  354.857   17.200 -10.86142 24.75084 
1 1 1   10    4    8 o  1080.90   32.695 14781.59  882.515 14841.73  1248.20 14721.48  1247.93  1075.94   46.456  1071.46   46.640 4.478638 65.82959 
1 1 1   10    4    9 o  751.497   23.194  7098.35  435.259  7080.06  615.601  7116.63  615.497  748.012   32.956  749.969   32.865 -1.956909 46.54276 
1 1 1   10    4   10 o  742.128   22.599  6920.41  418.811  6902.82  592.345  6937.98  592.230  738.810   32.106  740.716   32.018 -1.905396 45.34253 
1 1 1   10    4   11 o  929.060   40.502 11001.62  939.660 11167.28  1329.47 10836.25  1328.29  924.698   57.865  910.229   58.751 14.46924 82.46275 
1 1 1   10    4   12 o  779.133   34.222  7696.02  665.841  7639.08  941.948  7752.90  941.336  768.575   49.339  774.527   48.921 -5.951721 69.48091 
1 1 1   10    4   13 o  152.273   12.389  292.036   46.701  315.753   68.134  271.019   64.137  157.721   17.599  145.917   17.982 11.80411 25.16117 
1 1 1   10    4   14 o  489.960   18.368  3012.36  224.739  3122.30  275.501  2793.69  388.548  498.259   22.142  468.017   33.466 30.24265 40.12809 
1 1 1   10    4   15 o  306.172   11.430  1172.95   87.388  1135.25  123.837  1210.34  123.337  300.409   16.572  310.294   15.971 -9.884521 23.01543 
1 1 1   10    4   16 o  376.727   12.902  1777.49  121.373  1908.33  172.244  1648.44  171.057  389.822   17.694  361.657   19.007 28.16455 25.96833 
1 1 1   10    4   17 o  192.795   9.0635  464.904   43.636  476.044   62.611  454.381   60.848  194.489   12.966  190.000   12.901 4.489304 18.29069 
1 1 1   10    4   18 o  198.451   9.2078  492.737   45.631  471.055   65.217  513.532   63.868  193.333   13.595  202.013   12.726 -8.680038 18.62163 
1 1 1   10    4   19 o  229.449   9.3286  658.928   53.451  737.901   76.281  582.751   74.919  242.239   12.654  215.002   14.031 27.23643 18.89431 
1 1 1   10    4   20 o  284.055   10.274  1010.86   72.879  1076.66  103.526  946.218  102.612  292.711   14.163  273.888   15.061 18.82272 20.67422 
1 1 1   10    4   21 o  219.272   9.7839  602.433   53.573  657.001   75.959  548.423   75.570  228.256   13.385  208.264   14.623 19.99216 19.82402 
1 1 1   10    4   22 o  116.338   13.269  172.374   37.858  280.943   51.677   46.610   55.619  148.748   14.080   67.521   24.944 81.22711 28.64328 
1 1 1   10    4   23 o  412.035   14.107  2138.81  145.153  2137.50  205.054  2140.12  205.502  410.061   20.025  410.301   20.057 -0.2393188 28.34202 
1 1 1   10    4   24 o  400.274   13.574  2018.21  135.680  1998.78  191.312  2037.88  192.453  396.560   19.319  400.446   19.246 -3.886353 27.26921 
1 1 1   10    4   25 o  251.780   9.8878  795.435   62.169  760.228   86.743  832.620   89.146  245.099   14.234  256.602   13.965 -11.50313 19.94007 
1 1 1   10    4   26 o  285.094   11.199  1021.54   79.728  1055.48  111.337  985.817  114.223  288.523   15.510  278.531   16.496 9.992432 22.64204 
1 1 1   10    4   27 o  282.247   11.717  1002.10   82.587  1118.81  115.204  878.707  118.456  296.992   15.588  262.336   18.195 34.65588 23.95891 
1 1 1   10    4   28 o  328.414   17.277  1372.84  141.189  1413.83  200.756  1332.73  198.606  330.151   24.525  320.245   25.034 9.906769 35.04555 
1 1 1   10    4   29 o  434.875   17.542  2403.87  190.499  2437.47  233.064  2336.24  330.664  436.020   21.405  419.311   31.816 16.70828 38.34647 
1 1 1   10    4   30 o  110.095   10.710  153.823   29.071  183.667   35.353   91.504   51.086  120.180   11.938   83.057   23.549 37.12330 26.40186 
1 1 1   10    4   31 o   64.114   13.969   53.959   21.732   74.123   25.034  -7.7252   43.785   75.435   13.798   45.997   20.104 29.43813 24.38368 
1 1 1   10    4   32 o  247.568   12.634  776.122   77.846  789.456   94.774  748.471  136.481  248.879   15.324  239.223   23.135 9.655151 27.74995 
1 1 1   10    4   33 o  160.521   11.482  326.878   45.724  339.466   55.088  299.001   81.980  163.076   13.653  150.137   22.564 12.93869 26.37295 
1 1 1   10    4   34 o   71.231   18.008   67.863   32.050   67.863   32.050   0.0000   0.0000   71.231   18.008  ?   ?  0.000000 18.00804 
1 1 1   10    4   35 o  106.740   12.372  146.662   32.367  176.056   38.124   70.781   61.254  116.817   13.306   75.180   26.377 41.63732 29.54306 
1 1 1   10    4   36 o  108.729   12.258  152.531   32.703  159.752   38.684  134.442   61.223  110.672   14.334   97.713   24.991 12.95890 28.81006 
1 1 1   10    4   37 o   70.087   15.165   65.969   25.771   64.377   29.732   70.779   51.673   68.783   17.320   72.601   24.263 -3.817955 29.81082 
1 1 1   10    4   38 o   64.258   16.570   56.316   26.762   56.221   31.060   56.591   52.726   64.111   18.423   67.082   24.363 -2.971642 30.54497 
1 1 1   10    4   39 o   46.052   19.358   9.0595   37.756   0.2548   59.055   15.147   49.103   53.143   23.285   52.758   22.121 0.3842659 32.11733 
1 1 1   10    4   40 o  126.090   12.966  208.557   40.244  215.585   48.354  192.714   72.597  126.903   15.586  113.338   26.178 13.56546 30.46681 
1 1 1   10    4   41 o   73.810   17.463   76.355   31.685   71.097   37.348   89.859   59.853   70.443   20.190   77.591   26.112 -7.147614 33.00731 
1 1 1   10    4   42 o   89.420   17.012  111.715   36.600  120.189   44.086   92.920   65.653   91.148   19.925   77.557   27.301 13.59114 33.79863 
1 1 1   10    5    0 o  601.692   18.986  4542.58  285.276  4548.63  403.465  4536.52  403.418  600.612   26.901  599.805   26.934 0.8073120 38.06647 
1 1 1   10    5    1 o  646.396   28.740  5276.04  463.912  5043.98  655.955  5508.26  656.187  626.686   42.161  655.795   40.264 -29.10956 58.29824 
1 1 1   10    5    2 o  387.128   18.679  1880.15  180.576  1939.02  255.942  1821.80  254.807  391.368   26.342  379.147   27.091 12.22025 37.78607 
1 1 1   10    5    3 o  385.742   13.167  1862.22  126.836  1902.97  179.533  1821.61  179.214  389.502   18.458  381.048   18.834 8.453857 26.37073 
1 1 1   10    5    4 o  195.574   9.0587  478.097   44.241  493.495   62.674  462.804   62.460  198.187   12.731  191.861   13.115 6.325562 18.27812 
1 1 1   10    5    5 o  333.682   11.881  1392.80   99.000  1427.80  140.163  1357.96  139.852  337.550   16.628  328.718   17.096 8.832092 23.84895 
1 1 1   10    5    6 o  636.422   19.884  5082.80  316.010  5113.69  446.953  5051.92  446.859  636.754   28.109  632.859   28.276 3.895142 39.86990 
1 1 1   10    5    7 o  707.460   21.695  6286.32  383.270  6382.41  542.175  6190.34  541.878  710.788   30.546  699.888   31.004 10.90002 43.52358 
1 1 1   10    5    8 o  686.857   21.313  5923.87  365.562  5924.48  517.032  5923.27  516.932  684.945   30.228  684.875   30.225 0.6964111E-01 42.74708 
1 1 1   10    5    9 o  610.991   19.185  4682.35  292.720  4708.37  414.068  4656.35  413.870  611.304   27.125  607.889   27.264 3.414978 38.45867 
1 1 1   10    5   10 o  422.503   14.160  2234.40  149.395  2253.35  211.484  2215.52  211.070  423.770   19.985  420.183   20.116 3.586609 28.35542 
1 1 1   10    5   11 o  519.328   16.609  3379.19  215.398  3412.70  304.707  3345.71  304.530  521.007   23.420  515.834   23.641 5.172974 33.27777 
1 1 1   10    5   12 o  190.026   9.0026  451.340   42.720  469.457   60.836  433.715   60.004  193.291   12.674  185.720   13.020 7.571121 18.17027 
1 1 1   10    5   13 o  388.454   13.188  1888.52  127.931  1932.41  181.245  1844.94  180.601  392.497   18.492  383.476   18.860 9.021240 26.41266 
1 1 1   10    5   14 f  361.175   14.569  1633.74  131.404  1650.49  228.464  1625.45  160.634  361.012   25.506  359.981   17.869 1.031128 31.14298 
1 1 1   10    5   15 o  295.740   15.759  1099.38  115.960  1133.71  165.022  1065.88  162.982  299.364   22.233  290.144   22.675 9.219513 31.75631 
1 1 1   10    5   16 o  409.154   19.686  2104.48  201.143  2052.81  285.064  2155.71  283.859  401.622   28.610  411.835   27.763 -10.21268 39.86659 
1 1 1   10    5   17 o  436.016   14.610  2383.82  159.081  2365.49  225.230  2402.07  224.719  433.390   20.811  436.766   20.603 -3.375732 29.28489 
1 1 1   10    5   18 o  442.947   14.651  2461.76  162.054  2486.07  229.585  2437.61  228.775  444.053   20.704  439.676   20.837 4.376892 29.37390 
1 1 1   10    5   19 o  492.884   15.910  3053.35  195.829  3180.94  277.458  2926.71  276.433  501.530   22.154  480.827   23.022 20.70297 31.95041 
1 1 1   10    5   20 f  501.570   16.155  3165.83  202.348  3217.91  286.442  3113.96  285.884  503.742   22.771  495.426   23.108 8.316620 32.44203 
1 1 1   10    5   21 o  176.129   8.9766  389.414   39.350  410.209   55.835  368.892   55.467  180.347   12.474  170.886   13.098 9.460876 18.08762 
1 1 1   10    5   22 o  236.487   9.5827  700.798   56.591  680.827   80.024  720.777   80.039  232.234   13.862  239.047   13.463 -6.812103 19.32375 
1 1 1   10    5   23 o  179.679   8.4256  404.342   37.805  348.607   52.980  462.165   53.963  166.009   12.881  191.531   11.333 -25.52214 17.15664 
1 1 1   10    5   24 o  406.767   20.288  2105.53  206.076  2319.86  290.034  1887.00  292.856  422.788   27.623  379.139   31.209 43.64832 41.67764 
1 1 1   10    5   25 o  206.774   8.9365  535.935   46.144  496.318   64.068  578.634   66.515  198.134   13.021  214.098   12.495 -15.96361 18.04685 
1 1 1   10    5   26 f  189.522   9.9674  451.990   47.007  469.497   64.929  432.706   68.144  192.537   13.592  184.529   14.916 8.008179 20.17938 
1 1 1   10    5   27 o  176.079   9.6012  390.144   42.057  396.749   57.082  382.301   62.203  176.999   13.006  173.431   14.496 3.568192 19.47477 
1 1 1   10    5   28 o  299.514   11.955  1128.85   89.416  1208.89  124.609  1043.89  128.381  308.535   16.230  286.066   18.064 22.46921 24.28451 
1 1 1   10    5   29 o  345.946   18.719  1528.18  161.112   0.0000   0.0000  1528.18  161.112  ?   ?   345.946   18.719 0.000000 18.71920 
1 1 1   10    5   30 o  114.486   22.812  174.204   62.927  174.204   62.927   0.0000   0.0000  114.486   22.812  ?   ?  0.000000 22.81171 
1 1 1   10    5   31 o  214.896   10.894  582.377   58.269  597.960   76.083  560.270   90.621  217.038   14.115  209.126   17.514 7.911850 22.49373 
1 1 1   10    5   32 o  125.409   10.998  199.481   34.094  200.279   40.559  197.561   62.941  125.242   13.166  122.257   21.396 2.985397 25.12173 
1 1 1   10    5   33 o  237.262   12.655  713.537   74.708  780.044   91.190  577.787  130.282  247.428   14.827  208.597   25.544 38.83073 29.53576 
1 1 1   10    5   34 o   66.618   14.282   58.515   23.046   57.030   26.469   63.170   46.855   65.536   16.253   70.421   23.086 -4.884872 28.23318 
1 1 1   10    5   35 o   97.934   17.795  127.304   41.917  127.304   41.917   0.0000   0.0000   97.934   17.795  ?   ?  0.000000 17.79529 
1 1 1   10    5   36 o  244.870   21.123  796.596  127.901  796.596  127.901   0.0000   0.0000  244.870   21.123  ?   ?  0.000000 21.12313 
1 1 1   10    5   37 o   62.784   15.902   53.057   24.958   62.725   28.976   25.264   49.129   68.070   17.075   56.577   22.736 11.49296 28.43446 
1 1 1   10    5   38 o   55.750   16.565   41.482   24.747   39.604   28.460   47.306   50.115   55.256   17.986   63.578   23.640 -8.321808 29.70388 
1 1 1   10    5   39 o   76.128   15.791   78.548   29.035   90.503   34.021   46.487   55.713   81.315   17.287   64.237   24.690 17.07865 30.14020 
1 1 1   10    5   40 o   97.923   20.338  134.812   48.107   98.594   73.052  162.546   63.925   82.212   28.808  105.215   24.745 -23.00249 37.97627 
1 1 1   10    5   41 o  143.304   12.918  269.260   45.729  286.363   55.701  233.897   80.094  146.342   15.477  124.472   26.576 21.87080 30.75421 
1 1 1   10    5   42 o   54.373   18.562   39.118   30.251   41.372   35.428   33.054   58.118   56.406   20.034   59.423   24.412 -3.017273 31.57999 
1 1 1   10    5   43 o   63.471   19.467   57.954   33.792   51.865   40.139   72.771   62.614   61.041   21.356   70.623   26.391 -9.582596 33.94939 
1 1 1   10    6    0 o  118.886   8.1393  177.458   24.018  182.668   33.989  172.262   33.946  120.306   11.452  116.756   11.805 3.550003 16.44691 
1 1 1   10    6    1 o  1217.93   53.317 19233.81  1621.59 18522.64  2292.44 19946.02  2294.11  1167.54   79.095  1215.51   75.961 -47.97437 109.6630 
1 1 1   10    6    2 o  342.271   17.008  1468.43  145.366  1557.96  206.295  1380.14  204.869  351.134   23.665  330.149   25.036 20.98471 34.45020 
1 1 1   10    6    3 o  337.878   11.301  1427.85   95.348  1365.59  134.732  1490.31  134.952  330.121   16.344  344.917   15.668 -14.79590 22.64063 
1 1 1   10    6    4 o  459.975   20.975  2657.17  240.930   0.0000   0.0000  2657.17  240.930  ?   ?   459.975   20.975 0.000000 20.97517 
1 1 1   10    6    5 o  287.463   15.399  1037.91  110.138  1037.91  110.138   0.0000   0.0000  287.463   15.399  ?   ?  0.000000 15.39873 
1 1 1   10    6    6 o  508.498   16.389  3239.61  208.113  3292.44  294.410  3186.85  294.223  511.770   23.037  503.443   23.403 8.327850 32.83924 
1 1 1   10    6    7 o  387.819   12.739  1881.78  123.367  1951.11  174.617  1812.69  174.319  394.520   17.724  380.213   18.360 14.30673 25.51920 
1 1 1   10    6    8 o  1144.11   34.577 16588.24  987.881 16509.82  1397.03 16666.68  1397.12  1132.76   49.388  1138.29   49.151 -5.529663 69.67754 
1 1 1   10    6    9 o  695.500   21.608  6074.68  375.287  6022.93  530.741  6126.43  530.732  690.488   30.781  696.465   30.516 -5.976990 43.34346 
1 1 1   10    6   10 o  394.948   13.288  1951.87  131.052  1972.54  185.414  1931.24  185.257  396.606   18.721  392.415   18.905 4.190521 26.60610 
1 1 1   10    6   11 o  727.930   22.521  6658.29  409.382  6654.64  579.020  6661.94  578.889  725.402   31.964  725.806   31.939 -0.4048462 45.18653 
1 1 1   10    6   12 o  464.843   15.267  2706.04  177.215  2710.33  250.738  2701.77  250.503  464.513   21.616  463.777   21.630 0.7364502 30.57929 
1 1 1   10    6   13 o  676.735   21.048  5752.09  355.697  5890.44  503.334  5614.07  502.730  682.882   29.516  666.488   30.206 16.39349 42.23269 
1 1 1   10    6   14 o  229.768   9.5533  660.028   54.814  694.885   78.048  626.100   77.001  235.238   13.341  223.197   13.884 12.04050 19.25493 
1 1 1   10    6   15 o  160.070   8.5089  321.179   33.890  348.834   48.752  295.319   47.144  166.555   11.798  153.109   12.438 13.44527 17.14324 
1 1 1   10    6   16 o  157.420   8.6755  310.750   33.972  319.311   48.839  302.725   47.287  159.233   12.380  155.024   12.316 4.209000 17.46279 
1 1 1   10    6   17 o  193.596   13.044  471.600   62.692  502.125   90.515  443.455   86.914  199.057   18.418  186.886   18.882 12.17033 26.37751 
1 1 1   10    6   18 o  252.173   13.965  799.787   87.598  955.222  125.752  653.265  122.094  274.973   18.420  226.540   21.853 48.43233 28.58099 
1 1 1   10    6   19 o  350.935   12.350  1543.57  108.228  1530.51  153.426  1556.50  152.691  348.314   17.697  351.747   17.383 -3.433685 24.80677 
1 1 1   10    6   20 o  610.558   19.175  4703.58  292.364  4891.63  413.955  4516.41  412.976  619.592   26.754  594.878   27.800 24.71375 38.58298 
1 1 1   10    6   21 o  172.661   8.9865  374.222   38.613  386.381   55.189  362.564   54.043  174.992   12.716  169.462   12.867 5.529800 18.09031 
1 1 1   10    6   22 o  233.297   9.3453  681.799   54.444  725.274   77.382  639.180   76.616  239.916   12.964  225.060   13.697 14.85620 18.85971 
1 1 1   10    6   23 o  430.859   14.524  2338.26  156.268  2392.48  221.001  2284.04  220.993  433.994   20.392  423.870   20.878 10.12390 29.18456 
1 1 1   10    6   24 o  362.329   12.646  1651.03  114.424  1812.30  161.849  1489.87  161.792  378.482   17.124  342.145   19.011 36.33624 25.58659 
1 1 1   10    6   25 o  194.432   9.5730  474.084   46.480  541.176   65.245  404.948   66.232  207.015   12.682  178.523   14.996 28.49217 19.63941 
1 1 1   10    6   26 o  119.274   14.021  181.763   40.963  240.808   52.397   88.947   65.694  137.197   15.569   83.946   27.326 53.25089 31.45054 
1 1 1   10    6   27 o  232.548   10.380  679.003   60.281  725.562   83.805  629.089   86.773  239.429   14.079  222.505   15.718 16.92328 21.10120 
1 1 1   10    6   28 o  196.291   10.505  485.280   51.307  530.447   70.198  433.480   75.176  204.620   13.819  184.282   16.511 20.33888 21.53096 
1 1 1   10    6   29 o  102.599   9.8681  133.341   24.971  116.870   30.990  163.835   42.166   95.375   13.380  112.819   15.366 -17.44368 20.37517 
1 1 1   10    6   30 o  324.419   12.749  1326.44  103.286  1436.96  141.885  1201.85  150.645  336.059   16.962  306.210   19.807 29.84915 26.07714 
1 1 1   10    6   31 o  367.518   13.329  1704.69  122.326  1716.96  168.350  1690.97  178.049  366.615   18.448  363.247   19.702 3.368011 26.99058 
1 1 1   10    6   32 o   63.661   19.404   52.166   33.639   10.909   51.347   83.188   44.525   54.691   22.751   79.153   21.822 -24.46181 31.52466 
1 1 1   10    6   33 o  206.347   11.465  538.319   58.843  543.085   71.508  528.321  103.561  206.654   13.938  201.562   20.878 5.091675 25.10269 
1 1 1   10    6   34 o   69.261   13.951   62.970   23.296   54.474   26.667   90.342   47.864   64.126   16.543   82.009   22.632 -17.88280 28.03396 
1 1 1   10    6   35 o  102.391   12.073  134.547   30.275  131.476   35.638  142.509   57.388  100.573   14.618  102.323   23.017 -1.749428 27.26648 
1 1 1   10    6   36 o   86.213   13.561   96.960   28.232  104.165   33.210   78.185   53.608   88.888   15.527   76.713   24.660 12.17509 29.14058 
1 1 1   10    6   37 o   87.738   18.818  104.361   39.994  104.361   39.994   0.0000   0.0000   87.738   18.818  ?   ?  0.000000 18.81822 
1 1 1   10    6   38 o   43.119   15.816   20.030   22.298   18.333   25.371   25.792   46.741   43.740   16.697   55.654   22.244 -11.91470 27.81319 
1 1 1   10    6   39 o   98.032   13.452  126.218   32.062  119.839   38.005  141.963   59.713   94.250   16.762   99.348   24.275 -5.098228 29.50014 
1 1 1   10    6   40 o   38.828   15.773   9.6188   23.922   16.453   27.540 -11.3847   48.279   43.677   17.195   45.999   20.555 -2.321331 26.79910 
1 1 1   10    6   41 o   49.616   17.854   29.409   28.225   25.525   33.293   39.333   53.221   49.691   19.089   60.795   23.913 -11.10445 30.59823 
1 1 1   10    6   42 o  117.680   20.029  195.292   56.750  164.010   88.088  217.488   74.201   99.689   31.565  120.272   25.497 -20.58290 40.57614 
1 1 1   10    6   43 o   73.889   18.904   78.433   35.023   82.666   42.217   69.087   62.728   74.868   21.468   70.129   26.374 4.739136 34.00707 
1 1 1   10    7    0 o  864.230   26.129  9410.43  563.902  9486.69  797.564  9334.22  797.392  863.834   36.973  856.740   37.271 7.093872 52.49894 
1 1 1   10    7    1 o  359.420   12.541  1616.36  112.561  1549.88  159.022  1683.11  159.348  351.078   18.201  366.409   17.415 -15.33060 25.19063 
1 1 1   10    7    2 f  1306.40   56.963 22234.18  1858.32 23641.52  2630.69 20832.45  2625.45  1318.55   80.277  1230.14   86.008 88.41528 117.6515 
1 1 1   10    7    3 o  362.898   12.669  1647.85  114.811  1630.78  162.415  1664.90  162.321  360.164   18.116  364.390   17.838 -4.225464 25.42439 
1 1 1   10    7    4 o  112.464   8.4185  158.957   23.471  142.051   32.898  176.483   33.497  105.795   12.707  118.231   11.491 -12.43568 17.13175 
1 1 1   10    7    5 f  753.977   23.245  7147.85  437.655  7137.47  618.947  7158.23  618.928  750.773   33.014  751.879   32.964 -1.106750 46.65338 
1 1 1   10    7    6 o  241.850   9.9456  731.245   60.066  737.895   84.930  724.591   84.962  242.385   14.092  240.169   14.230 2.215851 20.02696 
1 1 1   10    7    7 o  147.276   7.7671  271.783   28.464  290.244   40.366  253.523   40.145  151.980   10.704  141.920   11.424 10.05981 15.65561 
1 1 1   10    7    8 f  1023.48   31.077 13237.64  794.264 13366.57  1123.44 13108.79  1123.08  1022.32   44.006  1012.18   44.432 10.13983 62.53607 
1 1 1   10    7    9 o  227.301   9.4920  645.820   53.878  665.344   76.325  626.429   76.066  230.202   13.334  223.309   13.707 6.893295 19.12281 
1 1 1   10    7   10 o  353.147   12.249  1560.07  108.018  1478.22  152.654  1642.14  152.866  342.934   17.888  362.011   16.910 -19.07684 24.61534 
1 1 1   10    7   11 o  739.154   22.738  6866.17  419.702  6887.02  593.621  6845.34  593.476  737.870   32.217  735.607   32.308 2.263184 45.62559 
1 1 1   10    7   12 o  218.167   9.5129  594.986   51.827  593.312   73.526  596.640   73.065  217.304   13.618  217.927   13.492 -0.6233215 19.17027 
1 1 1   10    7   13 o  1173.21   35.648 17477.48  1044.38 17360.01  1476.90 17594.98  1477.05  1159.17   51.021  1167.26   50.673 -8.084961 71.90936 
1 1 1   10    7   14 o  885.763   27.113  9897.32  599.718  9893.11  848.240  9901.53  848.018  880.984   38.557  881.371   38.530 -0.3874512 54.50833 
1 1 1   10    7   15 o  164.023   8.7073  337.246   35.537  364.199   51.120  312.039   49.436  170.173   12.109  157.388   12.686 12.78487 17.53710 
1 1 1   10    7   16 o  579.838   18.110  4220.79  262.221  4427.42  371.350  4015.30  370.325  592.385   25.103  563.856   26.301 28.52930 36.35777 
1 1 1   10    7   17 o  496.569   15.842  3093.26  196.441  3305.08  278.420  2883.29  277.202  512.227   21.766  478.138   23.216 34.08911 31.82409 
1 1 1   10    7   18 o  403.594   13.769  2041.97  138.774  1988.48  196.552  2095.14  195.963  397.425   19.805  408.040   19.232 -10.61508 27.60602 
1 1 1   10    7   19 o  187.526   8.9820  439.936   42.062  439.781   60.341  440.083   58.663  186.846   13.014  186.958   12.639 -0.1109619 18.14133 
1 1 1   10    7   20 f  381.900   18.762  1838.73  178.926  1809.40  253.901  1867.67  252.189  375.926   27.231  382.177   26.590 -6.251343 38.06017 
1 1 1   10    7   21 o  207.111   13.487  540.911   69.375  561.947  100.822  521.995   95.608  210.029   19.444  202.425   19.141 7.603455 27.28430 
1 1 1   10    7   22 o  218.131   9.3364  595.961   50.857  637.098   72.393  555.877   71.460  224.843   12.948  209.849   13.712 14.99327 18.85929 
1 1 1   10    7   23 o  244.016   9.8966  746.393   60.305  822.877   85.611  671.064   84.961  255.438   13.469  230.344   14.850 25.09459 20.04790 
1 1 1   10    7   24 o  362.130   12.277  1648.24  111.020  1667.90  157.034  1628.59  156.978  363.101   17.319  358.742   17.523 4.358643 24.63711 
1 1 1   10    7   25 o  305.373   11.679  1171.77   89.065  1223.18  125.589  1119.76  126.327  310.672   16.245  296.970   17.107 13.70212 23.59102 
1 1 1   10    7   26 o  191.360   9.8889  460.618   47.094  483.334   65.704  436.620   67.535  195.415   13.548  185.456   14.703 9.959320 19.99314 
1 1 1   10    7   27 o  375.679   13.436  1778.41  126.047  1924.26  177.724  1630.81  178.794  389.272   18.283  357.201   20.126 32.07019 27.19055 
1 1 1   10    7   28 o  115.618   25.734  179.046   72.388   0.0000   0.0000  179.046   72.388  ?   ?   115.618   25.734 0.000000 25.73439 
1 1 1   10    7   29 o   48.510   14.147   30.259   18.194   31.873   18.821   7.2179   71.107   49.715   14.357   62.431   26.421 -12.71563 30.06994 
1 1 1   10    7   30 o  313.194   11.919  1234.54   93.222  1266.71  128.664  1198.98  135.254  315.737   16.375  306.696   17.736 9.041290 24.13896 
1 1 1   10    7   31 o  181.099   10.265  413.344   46.232  413.284   59.868  413.434   72.768  180.503   13.377  179.839   16.383 0.6638641 21.15076 
1 1 1   10    7   32 o   87.129   12.058   97.416   25.533   90.480   29.831  116.422   49.378   83.345   14.879   93.417   21.598 -10.07247 26.22730 
1 1 1   10    7   33 o  192.967   10.476  469.791   50.290  449.970   61.066  511.566   88.653  188.297   13.068  199.447   17.994 -11.15077 22.23817 
1 1 1   10    7   34 o   63.221   19.618   51.381   34.206  114.337   54.433   10.297   43.972   91.992   23.584   50.869   21.098 41.12307 31.64431 
1 1 1   10    7   35 o  141.657   11.143  254.926   39.101  261.411   47.206  240.752   69.787  142.925   13.382  134.568   21.490 8.357056 25.31633 
1 1 1   10    7   36 o  185.594   11.370  437.736   52.443  453.151   63.821  405.688   92.022  188.120   13.679  174.754   21.543 13.36612 25.51900 
1 1 1   10    7   37 o   44.113   15.661   22.045   21.649   20.617   24.731   26.729   44.782   44.744   16.612   55.711   21.928 -10.96680 27.51049 
1 1 1   10    7   38 o   74.429   15.099   73.979   27.104   66.654   32.002   92.571   50.983   69.998   18.154   81.486   23.658 -11.48798 29.82086 
1 1 1   10    7   39 o   70.340   20.387   68.172   37.888   68.172   37.888   0.0000   0.0000   70.340   20.387  ?   ?  0.000000 20.38696 
1 1 1   10    7   40 o   61.727   16.970   52.005   26.971   61.717   32.082   28.596   49.807   66.899   18.555   57.093   22.911 9.805840 29.48196 
1 1 1   10    7   41 o   48.412   17.467   27.507   27.035   28.034   32.028   26.200   50.420   50.394   18.867   56.269   22.883 -5.874802 29.65771 
1 1 1   10    7   42 o  154.183   12.654  310.681   48.291  329.723   59.249  272.997   83.348  157.302   15.276  135.749   25.524 21.55243 29.74606 
1 1 1   10    7   43 o   45.738   18.173   18.850   31.025   45.446   37.678 -37.1539   54.675   58.606   20.676   43.471   20.316 15.13523 28.98693 
1 1 1   10    7   44 o   43.701   19.695 -10.4478   45.371   70.168   77.180 -53.0185   56.085   71.490   28.579   41.352   19.697 30.13881 34.70955 
1 1 1   10    8    0 o  850.914   29.905  9147.62  635.439  9451.30  778.506  8541.47  1099.89  862.599   36.141  809.555   54.728 53.04425 65.58466 
1 1 1   10    8    1 o  789.641   28.157  7867.24  555.228  7863.48  679.898  7874.76  962.007  787.374   34.579  780.093   49.642 7.281860 60.49785 
1 1 1   10    8    2 o  1129.19   49.358 16433.99  1391.79 16186.55  1968.28 16681.44  1968.31  1099.52   72.085  1117.47   70.903 -17.94958 101.1108 
1 1 1   10    8    3 o  773.391   49.200  7734.42  945.266   0.0000   0.0000  7734.42  945.266  ?   ?   773.391   49.200 0.000000 49.20028 
1 1 1   10    8    4 o  235.526   11.276  693.779   66.318  672.641   81.294  735.833  114.665  231.371   14.138  241.430   19.177 -10.05862 23.82514 
1 1 1   10    8    5 o  609.242   19.091  4656.41  290.451  4596.56  410.735  4716.27  410.784  603.843   27.239  611.730   26.891 -7.886475 38.27613 
1 1 1   10    8    6 o  336.437   11.850  1415.83   99.560  1399.24  140.738  1432.45  140.861  333.721   16.943  338.107   16.683 -4.386017 23.77853 
1 1 1   10    8    7 o  1340.02   40.730 22893.81  1362.93 22896.96  1927.50 22890.66  1927.45  1325.89   58.215  1325.70   58.222 0.1888428 82.33374 
1 1 1   10    8    8 o  436.623   14.450  2386.58  157.552  2376.94  222.850  2396.21  222.775  435.162   20.507  436.932   20.417 -1.769958 28.93830 
1 1 1   10    8    9 o  326.560   11.778  1333.84   96.050  1306.71  135.798  1360.99  135.873  322.485   16.922  329.173   16.583 -6.687775 23.69261 
1 1 1   10    8   10 o  247.518   9.7705  765.872   60.391  798.678   85.529  733.254   85.283  252.255   13.628  241.615   14.197 10.64038 19.67962 
1 1 1   10    8   11 o  343.329   11.818  1474.39  101.319  1517.69  143.426  1431.27  143.148  348.041   16.502  337.523   17.039 10.51807 23.72016 
1 1 1   10    8   12 o  776.884   23.931  7591.85  464.268  7610.57  656.648  7573.13  656.502  774.960   33.931  773.026   34.009 1.934326 48.04104 
1 1 1   10    8   13 o  643.677   19.965  5200.81  320.919  4941.81  453.579  5460.43  454.117  625.594   29.034  657.946   27.639 -32.35211 40.08635 
1 1 1   10    8   14 o  409.976   13.872  2104.32  142.024  2071.78  200.957  2136.79  200.747  406.225   19.810  412.585   19.484 -6.360504 27.78627 
1 1 1   10    8   15 o  492.984   16.004  3046.21  197.024  3097.36  278.893  2995.24  278.376  496.175   22.509  487.871   22.849 8.304504 32.07404 
1 1 1   10    8   16 o  906.316   27.716 10385.93  627.290 10415.90  887.309 10355.98  886.935  901.885   39.398  899.231   39.498 2.654724 55.78752 
1 1 1   10    8   17 o  767.705   23.610  7434.62  452.625  7774.17  640.724  7096.38  639.495  781.328   32.839  745.812   34.337 35.51550 47.51194 
1 1 1   10    8   18 o  326.849   11.727  1337.69   95.713  1376.13  135.888  1299.85  134.835  331.057   16.437  321.269   16.866 9.788513 23.55060 
1 1 1   10    8   19 o  320.845   11.723  1289.49   93.925  1275.45  133.282  1303.33  132.383  318.112   16.838  321.631   16.538 -3.519592 23.60166 
1 1 1   10    8   20 o  345.549   12.209  1496.84  105.353  1532.47  149.446  1461.64  148.541  348.961   17.150  340.299   17.539 8.661499 24.53049 
1 1 1   10    8   21 o  237.769   9.7811  707.956   58.075  739.424   82.706  677.350   81.567  242.269   13.727  231.775   14.161 10.49423 19.72211 
1 1 1   10    8   22 o  340.193   17.464  1464.14  147.863  1433.24  210.247  1494.38  207.991  334.158   25.386  341.545   24.550 -7.387146 35.31480 
1 1 1   10    8   23 o  207.251   13.796  542.644   70.994  497.829  102.712  583.643   98.240  196.865   21.229  213.989   18.568 -17.12399 28.20364 
1 1 1   10    8   24 o  409.135   13.424  2106.23  137.155  2233.12  194.317  1980.24  193.618  419.820   18.535  394.986   19.630 24.83389 26.99777 
1 1 1   10    8   25 o  263.036   10.992  868.666   72.204  965.605  102.033  771.429  102.190  276.312   14.842  246.445   16.704 29.86667 22.34474 
1 1 1   10    8   26 o  241.854   10.593  734.293   63.976  805.881   90.059  661.367   90.898  252.408   14.347  228.194   16.054 24.21420 21.53053 
1 1 1   10    8   27 o  182.747   9.7533  420.147   44.348  509.833   61.654  323.991   63.839  200.934   12.347  159.234   16.284 41.69983 20.43547 
1 1 1   10    8   28 o  182.126   9.8475  417.432   44.620  483.586   61.563  344.217   64.764  195.589   12.673  164.206   15.997 31.38312 20.40849 
1 1 1   10    8   29 o   74.285   14.990   72.164   26.848   72.164   26.848   0.0000   0.0000   74.285   14.990  ?   ?  0.000000 14.98984 
1 1 1   10    8   30 o  209.054   15.000  555.162   77.788  574.599   97.617  521.346  128.759  211.732   18.653  198.964   26.580 12.76785 32.47155 
1 1 1   10    8   31 o  269.595   11.724  914.672   78.929  983.642  107.497  833.997  116.261  278.337   15.528  255.362   18.354 22.97495 24.04134 
1 1 1   10    8   32 o  285.980   12.799  1031.33   91.406  1022.48  111.807  1049.15  158.725  283.585   15.852  284.715   22.508 -1.130066 27.52985 
1 1 1   10    8   33 o  167.264   10.606  353.290   44.071  360.928   53.600  337.353   77.428  168.637   12.824  161.242   19.635 7.394928 23.45199 
1 1 1   10    8   34 o  132.591   11.352  223.171   37.223  221.828   44.985  226.087   66.291  131.654   13.893  130.975   20.976 0.6787109 25.15951 
1 1 1   10    8   35 o  229.926   15.251  676.066   87.068  651.129  126.215  698.708  120.265  222.293   23.073  231.339   21.048 -9.046585 31.23146 
1 1 1   10    8   36 o  130.689   15.595  221.395   49.890  242.920   75.884  205.007   66.212  134.091   23.520  123.401   22.308 10.68927 32.41605 
1 1 1   10    8   37 o   90.990   12.981  107.470   28.660  123.631   34.167   69.105   52.644   97.288   14.507   73.077   24.489 24.21120 28.46382 
1 1 1   10    8   38 o  207.827   11.916  552.064   61.585  590.248   75.609  476.792  106.158  213.875   14.238  187.164   23.211 26.71059 27.23026 
1 1 1   10    8   39 o  140.687   12.003  254.865   41.765  266.988   50.942  230.011   72.943  143.063   14.458  128.249   23.647 14.81456 27.71696 
1 1 1   10    8   40 o  131.594   12.619  224.701   40.958  245.434   50.177  183.300   70.906  136.576   14.957  112.313   25.821 24.26279 29.84027 
1 1 1   10    8   41 o   50.290   19.580   24.380   35.385   24.380   35.385   0.0000   0.0000   50.290   19.580  ?   ?  0.000000 19.58020 
1 1 1   10    8   42 o  167.598   12.658  365.953   52.586  420.609   64.882  261.309   89.777  178.485   14.687  131.043   28.265 47.44208 31.85351 
1 1 1   10    8   43 o  115.069   14.486  176.946   40.702  208.976   50.527  117.745   68.691  123.877   16.764   87.066   27.906 36.81048 32.55445 
1 1 1   10    8   44 o   44.240   18.159   13.919   32.122   16.484   40.153   9.3592   53.535   48.549   20.151   51.792   22.438 -3.242798 30.15804 
1 1 1   10    9    0 o  603.120   21.985  4570.93  331.117  4529.52  405.294  4654.03  574.192  599.395   27.077  603.537   38.296 -4.141663 46.90200 
1 1 1   10    9    1 o  434.197   16.204  2362.13  175.696  2224.24  214.746  2641.31  305.560  420.903   20.431  456.981   26.895 -36.07800 33.77506 
1 1 1   10    9    2 o  889.503   56.674 10334.73  1252.32   0.0000   0.0000 10334.73  1252.32  ?   ?   889.503   56.674 0.000000 56.67423 
1 1 1   10    9    3 o  744.239   47.443  7147.01  877.141  7147.01  877.141   0.0000   0.0000  744.239   47.443  ?   ?  0.000000 47.44335 
1 1 1   10    9    4 o  124.311   8.5338  194.041   26.331  212.279   37.196  175.722   37.279  129.760   11.601  117.807   12.882 11.95338 17.33597 
1 1 1   10    9    5 o  740.807   22.886  6898.91  423.379  6781.79  598.607  7016.13  598.890  731.902   32.752  744.608   32.208 -12.70636 45.93554 
1 1 1   10    9    6 o  419.242   14.039  2200.16  146.974  2135.18  207.745  2265.27  207.962  412.449   20.170  424.890   19.600 -12.44092 28.12462 
1 1 1   10    9    7 o  299.369   10.764  1120.67   80.473  1130.56  113.818  1110.78  113.794  300.082   15.239  297.422   15.374 2.659698 21.64658 
1 1 1   10    9    8 o  602.254   18.922  4549.38  284.571  4559.86  402.450  4538.89  402.439  601.580   26.790  600.182   26.851 1.397827 37.92997 
1 1 1   10    9    9 o  660.700   19.670  5477.16  324.530  5535.34  459.027  5419.01  458.882  662.601   27.742  655.535   28.032 7.066040 39.43865 
1 1 1   10    9   10 o  1135.26   34.494 16335.97  977.896 16312.74  1382.96 16359.20  1382.94  1125.80   49.192  1127.45   49.120 -1.651855 69.51707 
1 1 1   10    9   11 o  579.849   18.281  4216.13  264.711  4281.59  374.493  4150.77  374.221  583.112   25.718  574.060   26.105 9.051086 36.64546 
1 1 1   10    9   12 o  388.854   13.320  1892.37  129.344  1901.55  183.008  1883.20  182.832  389.345   18.823  387.456   18.896 1.889526 26.67161 
1 1 1   10    9   13 o  671.707   20.652  5666.14  346.414  5496.22  489.764  5836.25  490.043  659.525   29.738  679.853   28.865 -20.32819 41.44270 
1 1 1   10    9   14 o  559.116   17.820  3920.86  248.812  3872.30  351.940  3969.38  351.806  554.355   25.423  561.326   25.098 -6.970642 35.72458 
1 1 1   10    9   15 o  593.756   18.772  4425.40  278.332  4334.47  393.621  4516.32  393.622  585.985   26.899  598.283   26.346 -12.29858 37.65244 
1 1 1   10    9   16 o  342.797   12.200  1470.83  104.437  1398.84  147.848  1542.53  147.546  333.370   17.824  350.662   16.850 -17.29218 24.52788 
1 1 1   10    9   17 o  1095.15   33.403 15283.35  913.504 15638.97  1292.47 14928.37  1291.31  1096.86   47.187  1070.64   48.298 26.21545 67.52286 
1 1 1   10    9   18 o  363.504   12.753  1655.38  115.764  1648.50  164.084  1662.20  163.348  361.667   18.227  363.650   17.988 -1.982513 25.60805 
1 1 1   10    9   19 o  341.309   12.069  1459.46  102.868  1479.79  145.998  1439.43  144.961  343.100   17.040  337.933   17.235 5.167175 24.23677 
1 1 1   10    9   20 f  114.585   8.4858  165.148   24.109  161.978   35.419  167.883   32.908  112.941   12.784  115.174   11.600 -2.232933 17.26200 
1 1 1   10    9   21 o  198.377   8.9792  492.561   44.482  506.572   63.737  479.257   62.108  200.526   12.795  195.018   12.825 5.508179 18.11593 
1 1 1   10    9   22 o  210.458   9.3378  554.689   49.075  549.870   69.948  559.360   68.869  208.777   13.489  210.630   13.159 -1.852493 18.84448 
1 1 1   10    9   23 f  141.120   8.6608  250.304   30.373  300.617   43.542  202.621   42.389  154.369   11.376  126.214   13.668 28.15537 17.78217 
1 1 1   10    9   24 o  129.753   12.693  213.621   40.601  234.732   61.890  197.671   53.795  134.849   18.898  123.757   17.929 11.09187 26.04984 
1 1 1   10    9   25 o  249.289   14.703  786.167   91.127  777.831  131.153  793.948  126.707  246.137   21.555  248.995   20.562 -2.858185 29.78944 
1 1 1   10    9   26 o  421.291   14.183  2237.26  149.206  2367.80  211.092  2106.91  210.928  431.559   19.588  406.100   20.870 25.45865 28.62210 
1 1 1   10    9   27 o  380.260   19.188  1842.70  181.613   0.0000   0.0000  1842.70  181.613  ?   ?   380.260   19.188 0.000000 19.18752 
1 1 1   10    9   28 o  381.026   15.019  1833.61  142.906  1971.85  174.018  1547.29  250.438  394.264   17.675  343.383   29.492 50.88162 34.38290 
1 1 1   10    9   29 o  154.982   9.3825  302.377   36.141  311.768   48.321  290.455   54.448  156.903   12.434  150.994   14.623 5.909149 19.19527 
1 1 1   10    9   30 o  136.331   9.5119  234.317   32.180  221.151   41.780  253.519   50.455  131.891   12.848  140.967   14.542 -9.076035 19.40494 
1 1 1   10    9   31 o  348.793   19.556  1556.26  169.644  1680.12  228.582  1404.39  253.116  359.418   25.636  325.096   31.577 34.32217 40.67317 
1 1 1   10    9   32 o  278.399   21.809  1000.55  150.409  1000.55  150.409   0.0000   0.0000  278.399   21.809  ?   ?  0.000000 21.80926 
1 1 1   10    9   33 o  130.201   11.191  214.887   36.033  202.203   43.561  242.369   64.122  125.703   14.122  136.451   19.361 -10.74828 23.96410 
1 1 1   10    9   34 o  332.654   13.951  1400.67  115.888  1413.11  142.017  1375.89  200.487  332.559   17.159  324.062   24.967 8.497803 30.29513 
1 1 1   10    9   35 o   97.393   11.873  121.496   28.278  116.638   33.818  132.789   51.558   94.750   14.775   99.527   21.382 -4.777222 25.99000 
1 1 1   10    9   36 o  142.716   11.350  259.020   40.114  272.298   49.106  232.390   69.546  145.773   13.649  131.910   21.879 13.86275 25.78760 
1 1 1   10    9   37 o   81.060   19.587   88.862   39.206   59.323   63.084  107.452   50.044   71.987   26.571   88.572   22.563 -16.58490 34.85819 
1 1 1   10    9   38 o  150.225   11.527  288.440   42.913  314.630   52.676  236.758   73.996  156.233   13.638  131.334   23.421 24.89873 27.10241 
1 1 1   10    9   39 o  170.000   11.581  370.171   48.871  374.925   59.904  360.711   84.507  170.011   14.241  163.115   21.251 6.896439 25.58183 
1 1 1   10    9   40 o   48.297   16.757   28.244   24.689   47.325   29.551 -15.8547   44.924   59.451   18.200   43.634   19.638 15.81743 26.77425 
1 1 1   10    9   41 o  178.512   12.324  411.983   54.601  410.685   67.210  414.502   93.638  176.561   15.398  172.712   22.227 3.848633 27.03910 
1 1 1   10    9   42 o  100.924   22.809  146.568   56.133  146.568   56.133   0.0000   0.0000  100.924   22.809  ?   ?  0.000000 22.80947 
1 1 1   10    9   43 o   78.711   21.926   89.791   44.696   89.791   44.696   0.0000   0.0000   78.711   21.926  ?   ?  0.000000 21.92559 
1 1 1   10    9   44 o   38.189   16.811  -3.5845   31.096 -15.9835   39.033   17.957   51.449   39.609   18.017   53.420   22.534 -13.81102 28.85078 
1 1 1   10   10    0 f  145.491   9.7385  265.820   35.177  236.247   42.173  333.448   63.775  136.846   12.478  162.369   15.934 -25.52347 20.23872 
1 1 1   10   10    1 o  732.490   26.194  6760.68  479.134  6861.30  586.742  6559.28  830.099  736.302   31.911  712.990   46.884 23.31140 56.71350 
1 1 1   10   10    2 o  833.124   29.465  8766.42  613.014  8511.33  750.266  9278.74  1063.24  818.338   36.714  846.452   50.532 -28.11426 62.46119 
1 1 1   10   10    3 o  664.586   42.601  5668.32  703.279  5668.32  703.279   0.0000   0.0000  664.586   42.601  ?   ?  0.000000 42.60094 
1 1 1   10   10    4 o  585.912   37.938  4384.53  552.106  4384.53  552.106   0.0000   0.0000  585.912   37.938  ?   ?  0.000000 37.93826 
1 1 1   10   10    5 f  122.485   10.083  188.839   30.566  217.534   37.024  127.416   54.168  131.390   11.397   98.750   22.472 32.64059 25.19679 
1 1 1   10   10    6 o  408.556   13.178  2088.82  134.445  2124.52  190.145  2053.13  190.123  411.583   18.500  404.578   18.818 7.005035 26.38917 
1 1 1   10   10    7 o  796.229   24.232  7975.94  481.809  7888.87  681.278  8063.07  681.484  788.794   34.587  797.585   34.216 -8.791260 48.65155 
1 1 1   10   10    8 o  336.752   11.991  1418.55  100.835  1402.77  142.535  1434.36  142.668  334.117   17.141  338.316   16.887 -4.198395 24.06219 
1 1 1   10   10    9 o  728.053   22.492  6661.45  408.922  6700.71  578.386  6622.21  578.219  727.838   31.822  723.508   32.004 4.329407 45.13194 
1 1 1   10   10   10 f  730.045   22.354  6697.68  407.533  6527.71  576.169  6867.85  576.508  718.265   32.123  736.979   31.326 -18.71466 44.86840 
1 1 1   10   10   11 o  452.346   14.933  2562.31  168.686  2553.89  238.581  2570.73  238.533  450.937   21.187  452.430   21.113 -1.493408 29.91059 
1 1 1   10   10   12 o  260.001   8.7395  844.922   56.743  945.903   80.654  745.957   79.846  274.987   11.745  243.789   13.164 31.19766 17.64241 
1 1 1   10   10   13 o  561.001   17.873  3946.98  250.389  3940.50  354.199  3953.45  354.009  559.294   25.360  560.224   25.305 -0.9293823 35.82571 
1 1 1   10   10   14 o  656.162   20.522  5408.65  336.271  5354.21  475.578  5463.08  475.539  650.813   29.263  657.479   28.964 -6.665710 41.17285 
1 1 1   10   10   15 o  1199.64   36.513 18339.30  1093.83 18340.23  1546.99 18338.38  1546.83  1187.24   52.179  1187.19   52.176 0.5749512E-01 73.79034 
1 1 1   10   10   16 o  630.023   19.525  4987.78  307.182  5153.42  434.802  4822.72  434.041  638.470   27.271  617.395   28.153 21.07513 39.19527 
1 1 1   10   10   17 o  492.781   16.063  3046.61  197.663  3024.57  279.756  3068.57  279.319  489.790   22.873  493.382   22.671 -3.591644 32.20444 
1 1 1   10   10   18 o  305.559   11.407  1168.93   87.038  1131.23  123.553  1206.06  122.633  299.693   16.574  309.576   15.917 -9.883667 22.97902 
1 1 1   10   10   19 o  428.209   13.990  2299.95  149.599  2449.45  212.277  2152.44  210.861  441.004   19.276  413.182   20.436 27.82184 28.09263 
1 1 1   10   10   20 o  146.335   8.4328  268.760   30.685  289.750   44.781  250.181   42.131  151.587   11.926  140.766   12.103 10.82086 16.99178 
1 1 1   10   10   21 o  371.638   12.917  1733.13  119.874  1759.42  170.138  1707.22  168.924  373.522   18.240  367.910   18.387 5.611481 25.89936 
1 1 1   10   10   22 o  226.078   9.5817  640.163   54.094  624.394   77.414  655.209   75.619  222.452   14.007  228.004   13.339 -5.552155 19.34286 
1 1 1   10   10   23 o  318.942   11.575  1276.59   92.188  1341.17  131.007  1213.24  129.748  326.141   16.086  309.609   16.845 16.53241 23.29174 
1 1 1   10   10   24 o  394.473   13.389  1957.47  131.889  2019.05  186.983  1896.50  186.058  399.205   18.757  386.746   19.265 12.45859 26.88781 
1 1 1   10   10   25 o  407.289   13.917  2089.19  141.546  2163.33  200.472  2015.49  199.881  412.763   19.449  397.670   20.194 15.09320 28.03706 
1 1 1   10   10   26 o  248.447   10.284  774.539   63.804  826.322   90.380  723.093   90.086  255.658   14.213  238.892   15.180 16.76627 20.79481 
1 1 1   10   10   27 o  238.937   14.370  722.556   85.342  759.457  124.421  689.768  117.280  243.271   20.677  231.826   20.469 11.44463 29.09492 
1 1 1   10   10   28 o   98.764   9.2395  123.374   22.523  107.010   27.253  158.627   40.001   91.436   12.243  111.159   14.777 -19.72254 19.18971 
1 1 1   10   10   29 o  174.343   10.210  382.855   44.256  422.150   60.578  337.879   64.810  182.552   13.382  162.631   16.173 19.92090 20.99122 
1 1 1   10   10   30 o  279.144   10.799  978.980   75.275  1034.08  104.265  918.988  108.790  285.787   14.659  268.929   16.276 16.85748 21.90441 
1 1 1   10   10   31 o  301.249   11.000  1140.71   82.752  1114.45  113.295  1170.76  121.159  296.443   15.357  303.649   16.035 -7.206177 22.20300 
1 1 1   10   10   32 o  100.721   10.736  128.931   26.586  101.448   31.952  190.776   47.931   88.381   15.014  121.669   16.177 -33.28730 22.07056 
1 1 1   10   10   33 o  439.854   30.846  2568.17  336.673  2568.17  336.673   0.0000   0.0000  439.854   30.846  ?   ?  0.000000 30.84647 
1 1 1   10   10   34 f  181.186   18.005  422.762   80.386  422.762   80.386   0.0000   0.0000  181.186   18.005  ?   ?  0.000000 18.00516 
1 1 1   10   10   35 o   87.084   12.323   97.629   26.049   82.996   30.999  132.797   48.056   79.351   16.192   99.960   19.951 -20.60888 25.69466 
1 1 1   10   10   36 o  170.830   11.022  369.886   46.768  383.728   57.575  343.035   80.189  173.402   13.400  161.618   20.318 11.78348 24.33896 
1 1 1   10   10   37 o  136.244   11.283  236.490   38.044  250.485   46.772  209.129   65.398  139.634   13.586  124.710   21.793 14.92416 25.68069 
1 1 1   10   10   38 o  174.978   11.514  390.362   50.028  389.532   61.536  391.982   85.920  173.825   14.303  171.636   20.449 2.188339 24.95467 
1 1 1   10   10   39 o  121.196   16.719  194.234   49.251  183.385   78.128  201.388   63.446  112.691   27.909  121.249   21.754 -8.557480 35.38538 
1 1 1   10   10   40 o   98.807   13.572  127.914   32.603  111.980   39.984  159.525   56.318   90.677   18.289  107.083   21.802 -16.40616 28.45720 
1 1 1   10   10   41 o   84.529   15.545   95.975   31.603   97.099   38.979   93.817   53.992   83.767   19.063   81.054   24.556 2.713646 31.08632 
1 1 1   10   10   42 o   93.351   15.354  116.851   34.547  122.896   43.055  105.924   57.886   94.230   18.954   85.103   25.346 9.126724 31.64903 
1 1 1   10   10   43 o  103.306   15.469  143.487   38.679  190.688   49.258   67.579   62.467  118.469   17.149   71.288   26.415 47.18052 31.49374 
1 1 1   10   10   44 o   40.605   18.789 -27.2941   45.008 -27.2941   45.008   0.0000   0.0000   40.605   18.789  ?   ?  0.000000 18.78942 
1 1 1   10   10   45 o   83.753   27.440  111.550   66.200   0.0000   0.0000  111.550   66.200  ?   ?    83.753   27.440 0.000000 27.43962 
1 1 1   10   11    0 o  246.683   14.384  764.557   88.223  701.519  123.655  829.912  125.907  235.352   21.270  256.360   19.822 -21.00826 29.07389 
1 1 1   10   11    1 o  934.173   59.724 11468.36  1385.95   0.0000   0.0000 11468.36  1385.95  ?   ?   934.173   59.724 0.000000 59.72387 
1 1 1   10   11    2 o  653.952   29.042  5400.79  474.273  5400.79  474.273   0.0000   0.0000  653.952   29.042  ?   ?  0.000000 29.04234 
1 1 1   10   11    3 o  854.921   30.246  9238.28  645.718  9334.67  790.762  9045.37  1118.63  856.803   36.958  833.364   54.045 23.43860 65.47321 
1 1 1   10   11    4 o  353.779   25.298  1583.94  222.023  1583.94  222.023   0.0000   0.0000  353.779   25.298  ?   ?  0.000000 25.29823 
1 1 1   10   11    5 o  552.854   20.396  3837.40  281.583  3813.52  344.646  3885.33  488.344  550.358   25.077  552.109   35.610 -1.750610 43.55379 
1 1 1   10   11    6 o  612.291   21.661  4710.02  331.205  4893.78  405.753  4343.10  573.349  623.261   26.070  582.491   39.653 40.76984 47.45494 
1 1 1   10   11    7 o  598.877   21.854  4506.29  326.825  4513.55  400.101  4491.75  566.576  598.422   26.774  592.857   38.478 5.564636 46.87635 
1 1 1   10   11    8 o  417.552   13.788  2182.36  143.766  2106.66  203.191  2258.25  203.443  409.697   19.861  424.253   19.203 -14.55615 27.62591 
1 1 1   10   11    9 o  339.596   12.074  1442.71  102.388  1444.65  144.784  1440.77  144.812  339.063   17.156  338.603   17.183 0.4595947 24.28079 
1 1 1   10   11   10 o  373.367   12.381  1744.12  115.433  1738.40  163.223  1749.85  163.271  372.372   17.553  373.601   17.500 -1.228638 24.78658 
1 1 1   10   11   11 o  1183.47   35.997 17793.32  1063.85 17852.01  1504.62 17734.65  1504.40  1175.09   51.275  1171.09   51.443 4.000244 72.63227 
1 1 1   10   11   12 o  199.923   8.6659  499.569   43.264  514.899   61.329  484.382   61.041  202.501   12.185  196.355   12.514 6.145966 17.46623 
1 1 1   10   11   13 o  485.095   15.821  2948.63  191.654  2959.33  271.144  2937.95  270.937  485.111   22.382  483.346   22.447 1.765167 31.69927 
1 1 1   10   11   14 o  412.649   15.932  2134.16  164.174  2076.34  283.758  2163.26  201.285  404.430   28.274  415.071   19.420 -10.64166 34.30109 
1 1 1   10   11   15 o  1201.40   53.007 18827.73  1590.29 18774.91  2248.72 18880.58  2249.31  1169.88   77.411  1173.48   77.189 -3.598755 109.3187 
1 1 1   10   11   16 o  619.534   27.734  4856.24  429.071  4854.13  606.508  4858.35  607.088  613.976   39.772  614.233   39.793 -0.2576904 56.26103 
1 1 1   10   11   17 o  201.283   13.088  509.650   65.427  555.153   92.170  463.434   92.890  209.487   17.787  190.945   19.767 18.54178 26.59190 
1 1 1   10   11   18 o  470.951   21.882  2797.46  257.338  2776.74  363.763  2818.22  364.099  465.719   31.463  469.278   31.249 -3.558990 44.34393 
1 1 1   10   11   19 o  796.786   35.363  8162.44  703.619  8181.71  995.087  8143.17  995.050  784.175   51.095  782.200   51.225 1.975037 72.35101 
1 1 1   10   11   20 o  253.037   10.171  801.654   64.269  807.906   91.628  795.599   90.171  253.246   14.550  251.322   14.428 1.923859 20.49082 
1 1 1   10   11   21 o  367.418   12.782  1693.86  117.279  1700.75  166.412  1687.07  165.309  367.250   18.146  365.780   18.098 1.470276 25.62802 
1 1 1   10   11   22 o  311.478   11.179  1216.52   86.953  1303.85  123.767  1131.40  122.189  321.853   15.399  299.214   16.416 22.63974 22.50802 
1 1 1   10   11   23 o  202.796   9.1497  515.130   46.336  530.963   66.340  500.047   64.747  205.152   13.017  199.052   13.099 6.099792 18.46667 
1 1 1   10   11   24 o  251.921   10.206  795.845   64.208  896.467   91.658  698.887   89.973  266.546   13.818  234.939   15.421 31.60753 20.70635 
1 1 1   10   11   25 o  140.936   8.7595  249.805   30.676  241.473   43.927  257.736   42.857  137.967   12.900  142.699   12.142 -4.732086 17.71540 
1 1 1   10   11   26 o  138.248   12.840  242.498   43.823   0.0000   0.0000  242.498   43.823  ?   ?   138.248   12.840 0.000000 12.84037 
1 1 1   10   11   27 o  220.555   11.207  612.632   61.521  641.933   74.511  549.876  109.046  225.391   13.297  206.516   21.458 18.87509 25.24410 
1 1 1   10   11   28 o  262.108   11.403  863.402   74.636  937.421  105.103  788.110  106.004  271.928   15.542  248.833   17.164 23.09492 23.15557 
1 1 1   10   11   29 f  278.102   15.563  980.667  107.646  1020.15  155.841  944.639  148.868  281.414   22.360  270.793   22.210 10.62051 31.51644 
1 1 1   10   11   30 o  281.611   12.479  998.362   87.755  1133.96  122.402  854.947  125.881  298.789   16.468  258.340   19.660 40.44867 25.64631 
1 1 1   10   11   31 o  278.591   11.839  976.519   82.363  975.529  101.326  978.446  141.404  277.510   14.674  276.003   20.666 1.507111 25.34581 
1 1 1   10   11   32 o  331.269   13.826  1385.23  114.377  1366.24  140.436  1422.64  197.117  327.582   17.228  331.344   23.985 -3.762207 29.53125 
1 1 1   10   11   33 o  490.846   17.445  3063.82  213.835  3099.02  262.371  2994.19  369.034  491.425   21.380  474.934   31.291 16.49075 37.89779 
1 1 1   10   11   34 o  220.604   10.885  612.409   59.965  631.330   73.962  576.114  102.439  223.169   13.333  211.284   19.640 11.88492 23.73813 
1 1 1   10   11   35 o  181.612   18.146  425.796   81.194  425.796   81.194   0.0000   0.0000  181.612   18.146  ?   ?  0.000000 18.14600 
1 1 1   10   11   36 o  106.150   17.620  148.011   45.070  148.011   45.070   0.0000   0.0000  106.150   17.620  ?   ?  0.000000 17.62041 
1 1 1   10   11   37 o  206.639   11.577  542.120   59.498  542.720   73.362  540.965  101.704  205.843   14.362  202.989   20.337 2.853867 24.89738 
1 1 1   10   11   38 o  243.740   12.108  755.033   73.698  795.823   91.157  678.062  125.221  248.789   14.738  225.237   22.567 23.55145 26.95320 
1 1 1   10   11   39 o  185.627   11.617  440.212   53.580  451.329   66.447  419.547   90.594  186.868   14.349  176.819   20.923 10.04933 25.37057 
1 1 1   10   11   40 o  140.359   12.086  253.703   41.949  263.262   52.383  236.613   70.043  141.852   15.016  130.978   22.208 10.87437 26.80854 
1 1 1   10   11   41 o  113.639   17.899  174.301   49.114  231.266   83.239  143.878   60.831  125.725   27.295  100.011   24.541 25.71379 36.70554 
1 1 1   10   11   42 o   53.239   18.210   35.808   29.115   40.520   37.045   28.195   47.086   57.359   20.474   55.972   22.341 1.386795 30.30306 
1 1 1   10   11   43 o  165.195   12.785  355.501   52.328  388.430   66.197  300.648   85.438  170.975   15.679  144.140   24.621 26.83459 29.18913 
1 1 1   10   11   44 o   48.688   18.841   24.153   32.608   56.961   43.582 -17.5698   49.148   64.596   22.272   44.657   20.276 19.93939 30.11908 
1 1 1   10   11   45 o   61.141   24.242   42.453   55.103   0.0000   0.0000   42.453   55.103  ?   ?    61.141   24.242 0.000000 24.24209 
1 1 1   10   12    0 o  809.232   51.765  8526.63  1040.58   0.0000   0.0000  8526.63  1040.58  ?   ?   809.232   51.765 0.000000 51.76479 
1 1 1   10   12    1 o  889.583   38.930 10095.27  864.805 10095.27  864.805   0.0000   0.0000  889.583   38.930  ?   ?  0.000000 38.92969 
1 1 1   10   12    2 o  488.364   18.395  2992.09  224.338  2951.54  274.358  3073.90  389.699  484.445   22.679  491.666   31.913 -7.220795 39.15038 
1 1 1   10   12    3 o  105.430   10.315  140.320   26.810  124.964   31.682  179.051   50.317   99.064   13.131  118.224   17.578 -19.16047 21.94122 
1 1 1   10   12    4 o  260.293   11.484  847.491   74.647  990.871   91.263  557.673  129.751  281.380   12.988  208.916   25.393 72.46429 28.52184 
1 1 1   10   12    5 o  470.500   31.443  2813.39  367.302  2813.39  367.302   0.0000   0.0000  470.500   31.443  ?   ?  0.000000 31.44278 
1 1 1   10   12    6 o  639.090   23.098  5136.77  368.622  5022.88  451.104  5365.67  639.506  630.743   28.640  647.472   39.745 -16.72870 48.98863 
1 1 1   10   12    7 o  843.253   29.901  8986.23  629.644  8801.09  770.755  9357.68  1091.70  831.832   37.105  849.012   51.739 -17.18030 63.66853 
1 1 1   10   12    8 o  466.230   16.006  2723.51  186.346  3095.49  228.646  1987.69  321.584  496.769   18.431  394.788   32.920 101.9816 37.72844 
1 1 1   10   12    9 o  402.770   15.840  2032.45  159.317  2056.52  194.916  1984.00  276.530  404.816   19.281  395.516   28.182 9.299683 34.14705 
1 1 1   10   12   10 o  761.327   23.374  7291.49  444.386  7260.75  628.414  7322.25  628.500  756.834   33.250  760.080   33.113 -3.245422 46.92580 
1 1 1   10   12   11 o  389.759   11.762  1900.43  114.484  1983.43  162.027  1817.69  161.782  397.824   16.310  380.778   17.014 17.04648 23.56875 
1 1 1   10   12   12 o  308.712   11.043  1192.03   85.135  1240.96  120.552  1143.33  120.248  314.730   15.339  301.630   16.022 13.10034 22.18041 
1 1 1   10   12   13 o  205.368   8.8932  527.226   45.608  543.819   64.744  510.882   64.258  208.081   12.518  201.627   12.829 6.454254 17.92448 
1 1 1   10   12   14 o  571.362   25.585  4117.68  365.039  4572.68  516.635  3664.05  515.854  598.622   34.709  534.119   38.944 64.50372 52.16692 
1 1 1   10   12   15 f  658.507   29.110  5490.59  478.695  5986.00  677.480  4996.65  676.474  682.336   39.934  621.329   43.881 61.00714 59.33224 
1 1 1   10   12   16 o  681.698   29.597  5894.26  503.844  6728.26  713.671  5065.52  711.421  722.857   39.688  623.621   46.008 99.23627 60.76088 
1 1 1   10   12   17 o  269.654   14.873  914.615   99.762  900.131  140.417  929.379  141.762  266.478   21.279  270.830   21.128 -4.351624 29.98628 
1 1 1   10   12   18 o  567.271   20.699  4055.69  293.213  4084.33  359.367  3998.63  507.138  567.955   25.338  556.648   36.689 11.30762 44.58822 
1 1 1   10   12   19 o  176.164   10.669  389.974   46.711  385.339   57.872  398.639   79.126  174.791   13.360  177.066   18.151 -2.275360 22.53797 
1 1 1   10   12   20 o  241.804   13.926  736.301   83.736  784.126  118.510  688.621  118.331  248.626   19.238  232.625   20.582 16.00146 28.17300 
1 1 1   10   12   21 o  796.770   35.652  8235.89  709.366  8138.62  1003.06  8333.21  1003.33  774.319   52.179  784.344   51.512 -10.02478 73.32210 
1 1 1   10   12   22 o  382.458   18.237  1847.29  174.176  2080.11  246.786  1616.20  245.861  403.268   24.624  354.002   28.042 49.26627 37.31863 
1 1 1   10   12   23 o  368.204   18.060  1713.86  166.057  1682.96  234.647  1744.87  235.034  361.567   26.165  368.375   25.711 -6.808197 36.68333 
1 1 1   10   12   24 f  250.058   10.284  784.177   64.220  867.870   91.590  703.236   90.071  262.201   14.039  235.674   15.389 26.52768 20.83087 
1 1 1   10   12   25 o  497.094   16.271  3121.78  201.980  3223.22  285.995  3020.84  285.293  502.285   22.801  485.912   23.512 16.37305 32.75199 
1 1 1   10   12   26 o  198.268   10.288  494.564   50.760  579.405   72.378  412.445   71.208  214.070   13.610  179.987   16.010 34.08279 21.01327 
1 1 1   10   12   27 o  339.666   13.978  1454.23  118.561  1444.76  145.418  1473.02  204.760  337.284   17.324  337.796   24.439 -0.5112915 29.95620 
1 1 1   10   12   28 o  328.928   11.592  1360.02   95.216  1378.05  134.454  1341.88  134.860  330.018   16.315  325.159   16.665 4.859497 23.32143 
1 1 1   10   12   29 o  473.588   15.911  2836.89  188.175  2929.73  265.720  2743.50  266.522  478.349   22.245  462.457   23.079 15.89172 32.05395 
1 1 1   10   12   30 f  557.989   18.519  3957.77  258.038  4236.26  364.494  3677.98  365.348  572.760   25.484  531.530   27.620 41.22992 37.58071 
1 1 1   10   12   31 o  380.668   19.466  1851.13  184.425  1753.68  263.747  1944.38  257.983  365.414   29.146  386.250   26.915 -20.83618 39.67253 
1 1 1   10   12   32 o  263.394   15.305  880.592  100.231  941.709  147.561  828.238  136.573  270.092   22.071  253.294   21.804 16.79778 31.02514 
1 1 1   10   12   33 f  177.066   9.7951  394.894   43.142  362.846   53.351  455.449   73.336  169.189   12.721  188.982   15.682 -19.79279 20.19223 
1 1 1   10   12   34 o  294.923   12.237  1096.56   90.125  1084.92  111.098  1118.98  154.128  292.188   15.279  294.453   21.101 -2.264984 26.05211 
1 1 1   10   12   35 o  131.340   10.802  218.637   35.114  208.394   43.568  237.623   59.315  127.577   13.901  135.269   18.007 -7.692596 22.74810 
1 1 1   10   12   36 o  188.142   11.032  447.976   51.602  442.961   64.118  457.196   86.940  186.359   13.877  187.733   18.798 -1.373856 23.36513 
1 1 1   10   12   37 o  130.917   17.903  224.436   56.997  224.436   56.997   0.0000   0.0000  130.917   17.903  ?   ?  0.000000 17.90348 
1 1 1   10   12   38 o  114.823   18.597  175.060   51.501  175.060   51.501   0.0000   0.0000  114.823   18.597  ?   ?  0.000000 18.59729 
1 1 1   10   12   39 o   99.528   13.307  128.766   32.245  141.231   40.635  107.573   52.987  103.365   16.281   87.927   23.627 15.43728 28.69337 
1 1 1   10   12   40 o   65.718   16.691   58.440   27.445   42.397   34.158   87.659   46.098   58.021   19.725   79.397   22.320 -21.37535 29.78707 
1 1 1   10   12   41 o   73.323   16.769   73.125   30.037   74.062   38.366   71.642   48.280   73.112   20.295   72.339   23.418 0.7724762 30.98846 
1 1 1   10   12   42 o  157.255   12.405  320.102   48.317  327.795   61.240  307.417   78.638  157.459   15.787  148.839   21.804 8.619720 26.91948 
1 1 1   10   12   43 o  110.165   19.285  167.671   51.120  199.705   89.584  152.202   62.251  112.799   30.894  101.905   24.716 10.89404 39.56451 
1 1 1   10   12   44 o   73.852   20.922   78.005   40.343   98.508   60.169   61.260   54.376   81.336   26.123   67.872   24.728 13.46326 35.97034 
1 1 1   10   13    0 o  507.377   33.730  3285.27  424.935   0.0000   0.0000  3285.27  424.935  ?   ?   507.377   33.730 0.000000 33.73050 
1 1 1   10   13    1 o  372.762   18.467  1743.98  171.900  1781.47  242.507  1706.10  243.704  374.911   26.065  366.699   26.799 8.211853 37.38408 
1 1 1   10   13    2 o  155.724   12.729  305.527   49.066  253.527   67.553  363.594   71.385  140.735   19.767  169.426   17.107 -28.69124 26.14111 
1 1 1   10   13    3 o  580.867   21.087  4240.32  305.878  4041.49  374.008  4641.92  531.549  566.032   26.460  603.211   35.443 -37.17896 44.23084 
1 1 1   10   13    4 o  447.370   17.032  2509.43  190.278  2673.79  232.978  2180.15  329.750  461.394   20.221  413.578   32.182 47.81586 38.00708 
1 1 1   10   13    5 o  408.794   19.217  2097.60  196.170  2097.60  196.170   0.0000   0.0000  408.794   19.217  ?   ?  0.000000 19.21666 
1 1 1   10   13    6 o  492.863   32.698  3092.03  400.149  3092.03  400.149   0.0000   0.0000  492.863   32.698  ?   ?  0.000000 32.69771 
1 1 1   10   13    7 o  892.308   31.560 10082.04  703.248 10126.98  861.143  9992.05  1218.50  891.174   38.696  873.675   56.148 17.49878 68.19027 
1 1 1   10   13    8 o  1118.75   39.375 15971.45  1100.04 16065.43  1347.23 15783.47  1905.43  1115.95   48.344  1084.61   70.738 31.33557 85.67984 
1 1 1   10   13    9 o  807.479   28.512  8235.60  574.928  7865.24  703.465  8980.62  997.721  786.509   35.817  833.151   48.160 -46.64203 60.01901 
1 1 1   10   13   10 o  824.243   28.506  8582.14  586.730  8008.29  717.689  9738.58  1018.82  793.386   36.224  868.162   47.172 -74.77533 59.47575 
1 1 1   10   13   11 o  449.849   17.255  2537.75  193.838  2573.23  237.219  2466.44  336.254  452.510   20.993  440.371   30.771 12.13965 37.24963 
1 1 1   10   13   12 o  216.830   9.8531  587.890   53.351  564.444   75.464  611.318   75.435  211.807   14.352  220.529   13.767 -8.722504 19.88751 
1 1 1   10   13   13 o  970.307   29.491 11915.63  714.585 11943.77  1010.72 11887.50  1010.43  964.839   41.949  962.508   42.039 2.330872 59.38873 
1 1 1   10   13   14 o  521.267   23.860  3424.50  310.583  3487.40  438.772  3361.33  439.692  522.567   33.805  512.745   34.541 9.822144 48.33052 
1 1 1   10   13   15 o  467.866   21.818  2756.05  254.906  2836.18  360.121  2675.60  360.863  471.744   30.738  457.826   31.760 13.91861 44.19867 
1 1 1   10   13   16 o  1147.02   35.103 16813.99  1005.45 16917.86  1422.12 16710.19  1421.71  1137.08   50.083  1129.76   50.394 7.321533 71.04823 
1 1 1   10   13   17 o  645.569   19.719  5245.87  317.893  5492.18  450.043  5000.60  449.095  658.095   27.385  627.492   28.660 30.60284 39.64029 
1 1 1   10   13   18 o  584.725   18.518  4302.50  270.396  4172.72  382.419  4432.24  382.375  573.432   26.706  591.279   25.897 -17.84650 37.20014 
1 1 1   10   13   19 o  159.809   8.4755  320.352   33.702  319.099   48.503  321.523   46.864  159.088   12.305  159.753   11.831 -0.6648102 17.07011 
1 1 1   10   13   20 o  147.479   8.5560  273.041   31.375  265.418   45.392  280.014   43.415  144.925   12.670  149.005   11.763 -4.079651 17.28891 
1 1 1   10   13   21 o  276.334   10.572  956.795   72.955  921.704  103.794  991.060  102.566  270.250   15.444  280.402   14.699 -10.15222 21.32087 
1 1 1   10   13   22 o  644.566   19.935  5260.01  320.879  5576.26  454.592  4945.97  452.995  659.502   27.603  620.117   29.253 39.38501 40.22010 
1 1 1   10   13   23 o  176.202   8.2917  388.689   36.484  438.974   52.884  343.021   50.398  186.690   11.398  164.809   12.335 21.88078 16.79521 
1 1 1   10   13   24 o  376.338   15.562  1786.45  146.252  1778.60  179.554  1801.93  252.106  374.025   19.290  373.194   27.240 0.8313293 33.37833 
1 1 1   10   13   25 o  395.833   27.874  2033.54  273.767   0.0000   0.0000  2033.54  273.767  ?   ?   395.833   27.874 0.000000 27.87406 
1 1 1   10   13   26 o  453.921   31.177  2700.96  351.251  2700.96  351.251   0.0000   0.0000  453.921   31.177  ?   ?  0.000000 31.17650 
1 1 1   10   13   27 o  313.240   11.561  1233.10   90.433  1325.54  128.227  1141.61  127.559  323.847   15.856  299.776   17.111 24.07080 23.32767 
1 1 1   10   13   28 o  424.364   13.622  2269.50  144.356  2348.26  204.297  2190.98  204.003  429.776   19.036  414.874   19.691 14.90176 27.38795 
1 1 1   10   13   29 o  323.384   12.860  1316.86  103.848  1406.09  146.434  1226.57  147.296  332.461   17.702  309.967   19.123 22.49350 26.05829 
1 1 1   10   13   30 o  394.376   14.558  1963.62  143.375  2080.91  201.798  1844.06  203.743  404.010   20.002  379.105   21.611 24.90567 29.44682 
1 1 1   10   13   31 o  736.271   26.967  7035.55  495.823  7183.31  607.630  6741.10  857.736  737.020   33.015  688.020   50.271 49.00012 60.14290 
1 1 1   10   13   32 o  162.317   10.499  332.369   42.329  318.669   52.606  357.526   71.288  158.402   13.426  166.949   17.353 -8.547379 21.94020 
1 1 1   10   13   33 o  142.903   14.532  260.729   51.138  257.244   84.092  262.774   64.418  139.032   25.146  142.504   18.541 -3.471924 31.24291 
1 1 1   10   13   34 o   87.161   17.799  100.135   37.431  128.906   70.748   88.950   44.110   97.828   27.704   81.727   21.371 16.10047 34.98881 
1 1 1   10   13   35 o  130.369   11.085  215.569   35.745  207.061   44.684  230.690   59.570  127.083   14.331  133.168   18.405 -6.085228 23.32643 
1 1 1   10   13   36 o   75.491   13.695   74.388   24.866   82.285   30.671   59.244   42.475   78.981   16.097   68.175   21.954 10.80605 27.22297 
1 1 1   10   13   37 o   96.371   12.264  119.439   28.845  100.988   36.100  152.022   47.973   87.293   17.173  107.182   18.598 -19.88908 25.31374 
1 1 1   10   13   38 o   82.142   13.677   88.177   27.068   87.632   33.857   89.142   45.062   80.984   17.269   80.938   21.805 0.4694366E-01 27.81497 
1 1 1   10   13   39 o   90.476   20.306  111.638   44.753  111.638   44.753   0.0000   0.0000   90.476   20.306  ?   ?  0.000000 20.30630 
1 1 1   10   13   40 o   98.565   21.118  133.909   50.415  133.909   50.415   0.0000   0.0000   98.565   21.118  ?   ?  0.000000 21.11825 
1 1 1   10   13   41 o   85.546   16.018   98.218   32.961   64.124   42.824  147.772   51.628   68.828   22.031  103.412   20.714 -34.58347 30.24004 
1 1 1   10   13   42 o  148.380   12.787  285.576   46.916  298.335   60.824  266.833   73.720  149.859   16.528  138.510   22.053 11.34802 27.55917 
1 1 1   10   13   43 o  106.496   15.258  151.226   39.417  142.963   52.888  161.551   59.119  100.439   21.719  106.248   22.953 -5.808517 31.59963 
1 1 1   10   13   44 o   83.061   24.795  101.880   55.350   0.0000   0.0000  101.880   55.350  ?   ?    83.061   24.795 0.000000 24.79511 
1 1 1   10   14    0 o   79.648   20.740   82.746   41.657   82.746   41.657   0.0000   0.0000   79.648   20.740  ?   ?  0.000000 20.74012 
1 1 1   10   14    1 o  154.382   19.372  304.060   73.037   0.0000   0.0000  304.060   73.037  ?   ?   154.382   19.372 0.000000 19.37170 
1 1 1   10   14    2 o  144.744   13.135  264.464   46.961  280.645   64.658  246.398   68.319  148.498   17.790  138.570   20.349 9.927505 27.02945 
1 1 1   10   14    3 o  598.513   26.958  4524.07  402.915  4566.77  569.379  4481.25  570.237  596.704   38.415  590.887   38.862 5.817200 54.64459 
1 1 1   10   14    4 o  381.642   18.528  1828.27  176.577  1700.49  248.699  1958.17  250.749  365.923   27.416  393.198   25.678 -27.27432 37.56338 
1 1 1   10   14    5 o  602.570   21.634  4566.00  325.529  4375.02  398.036  4951.74  565.693  588.648   27.078  622.406   36.557 -33.75787 45.49295 
1 1 1   10   14    6 o  576.637   37.518  4257.02  537.309  4257.02  537.309   0.0000   0.0000  576.637   37.518  ?   ?  0.000000 37.51815 
1 1 1   10   14    7 o  303.338   16.405  1156.88  123.806  1258.85  174.027  1052.38  176.170  315.584   22.225  287.959   24.739 27.62515 33.25602 
1 1 1   10   14    8 o  658.044   23.303  5451.03  382.931  5796.14  469.183  4762.49  662.718  677.407   27.736  607.331   43.995 70.07611 52.00828 
1 1 1   10   14    9 o  532.689   19.782  3564.04  263.150  3563.83  321.989  3564.47  456.648  531.886   24.242  528.380   34.803 3.505493 42.41422 
1 1 1   10   14   10 o  564.701   20.220  4006.63  285.129  3729.58  348.539  4567.20  495.772  543.790   25.667  598.846   33.284 -55.05621 42.03080 
1 1 1   10   14   11 o  692.064   24.874  6038.24  429.874  5898.25  526.091  6319.50  745.683  682.220   30.881  700.208   42.852 -17.98792 52.81958 
1 1 1   10   14   12 o  527.600   19.546  3497.04  257.520  3559.78  315.223  3371.12  446.528  531.537   23.748  513.424   35.037 18.11322 42.32678 
1 1 1   10   14   13 o  542.182   19.981  3695.00  270.535  3587.91  330.989  3910.51  469.567  533.297   24.854  553.251   34.155 -19.95343 42.24068 
1 1 1   10   14   14 o  318.442   15.551  1271.56  123.663  1051.05  173.093  1501.45  176.737  287.637   24.326  344.875   20.616 -57.23779 31.88718 
1 1 1   10   14   15 o  233.620   14.262  686.614   82.803  790.959  116.092  578.556  118.138  250.174   18.718  213.079   22.545 37.09496 29.30259 
1 1 1   10   14   16 o  618.273   19.401  4809.58  299.541  4749.37  423.639  4869.79  423.592  611.964   27.722  619.795   27.368 -7.830994 38.95534 
1 1 1   10   14   17 o  420.867   13.872  2221.06  145.797  2272.08  206.441  2170.29  205.936  424.801   19.461  415.104   19.867 9.696838 27.81019 
1 1 1   10   14   18 o  547.382   17.075  3767.61  233.404  3860.41  330.412  3675.17  329.754  552.205   23.961  538.620   24.516 13.58478 34.28098 
1 1 1   10   14   19 o  565.826   18.071  4032.36  255.340  3910.92  361.137  4153.77  361.075  554.651   26.074  571.917   25.282 -17.26636 36.31833 
1 1 1   10   14   20 o  261.277   10.308  855.038   67.255  841.242   95.613  868.549   94.621  258.302   14.886  262.541   14.489 -4.238739 20.77290 
1 1 1   10   14   21 o  374.091   12.668  1756.54  118.341  1804.11  167.897  1709.56  166.826  378.163   17.779  368.040   18.152 10.12277 25.40840 
1 1 1   10   14   22 o  774.164   24.133  7641.52  466.548  7542.48  659.993  7740.44  659.605  760.724   34.743  771.093   34.255 -10.36957 48.78998 
1 1 1   10   14   23 o  612.694   19.499  4758.07  298.335  4788.25  422.323  4728.01  421.496  610.006   27.724  606.075   27.849 3.931152 39.29663 
1 1 1   10   14   24 o  223.048   9.1590  623.416   51.015  745.225   73.155  508.104   71.177  243.550   12.028  200.349   14.321 43.20073 18.70226 
1 1 1   10   14   25 o  127.565   8.3567  204.694   26.474  242.412   38.358  170.383   36.584  138.499   11.186  115.681   12.883 22.81857 17.06171 
1 1 1   10   14   26 o  324.454   11.478  1322.61   92.996  1374.90  131.842  1270.83  131.193  329.840   16.007  316.535   16.656 13.30481 23.10055 
1 1 1   10   14   27 f  283.808   11.171  1011.87   79.173  1036.38  112.097  987.470  111.838  285.946   15.759  279.000   16.121 6.945251 22.54418 
1 1 1   10   14   28 o  177.013   15.844  399.226   69.294  597.698   94.275  165.999  102.197  216.424   17.596  111.376   33.793 105.0476 38.09959 
1 1 1   10   14   29 o  594.574   26.837  4578.15  398.464  4352.97  560.650  4807.99  566.421  566.579   39.880  597.539   38.159 -30.95978 55.19550 
1 1 1   10   14   30 o  427.000   14.642  2302.28  156.127  2281.04  219.775  2323.92  221.832  422.617   20.825  426.571   20.825 -3.954254 29.45078 
1 1 1   10   14   31 o  392.647   15.869  1951.29  155.597  1866.27  190.889  2119.61  268.597  381.961   20.083  403.438   26.814 -21.47623 33.50092 
1 1 1   10   14   32 o  183.406   10.647  424.081   48.555  406.516   60.420  456.110   81.587  179.002   13.619  188.736   17.510 -9.733612 22.18301 
1 1 1   10   14   33 o  108.108   11.596  148.733   30.816  144.278   38.445  156.740   51.540  105.793   14.970  109.251   19.612 -3.458435 24.67297 
1 1 1   10   14   34 o  357.091   14.351  1612.94  127.967  1594.09  157.539  1649.51  219.402  353.303   17.915  355.796   24.850 -2.493042 30.63425 
1 1 1   10   14   35 o  426.263   15.785  2308.41  168.027  2321.03  206.761  2283.84  288.344  425.531   19.457  415.652   27.942 9.879333 34.04937 
1 1 1   10   14   36 o  104.714   16.769  143.241   42.369  160.461   79.834  136.489   49.990  107.872   29.007  101.177   20.488 6.695061 35.51303 
1 1 1   10   14   37 o  215.962   11.810  591.659   63.451  590.160   79.442  594.299  105.450  214.690   14.910  213.351   20.027 1.338913 24.96783 
1 1 1   10   14   38 o  220.030   12.201  616.206   66.778  582.795   83.619  675.031  110.953  212.569   15.867  226.916   19.778 -14.34673 25.35628 
1 1 1   10   14   39 o   42.263   15.950   17.315   22.985   21.220   29.958   11.727   35.839   47.440   18.136   46.740   19.182 0.6996956 26.39816 
1 1 1   10   14   40 o  115.507   12.771  172.613   36.221  156.497   46.912  196.404   56.998  108.087   18.014  120.681   19.585 -12.59376 26.60966 
1 1 1   10   14   41 o  196.468   12.197  496.088   59.547  529.490   75.963  442.844   95.907  201.433   15.214  180.119   21.764 21.31375 26.55403 
1 1 1   10   14   42 o   60.596   22.786   41.680   46.817   41.680   46.817   0.0000   0.0000   60.596   22.786  ?   ?  0.000000 22.78567 
1 1 1   10   14   43 o  240.259   13.322  749.684   79.613  754.770  101.427  741.522  128.497  238.078   17.175  230.875   22.577 7.203262 28.36716 
1 1 1   10   14   44 o  130.167   22.620  241.362   70.859   0.0000   0.0000  241.362   70.859  ?   ?   130.167   22.620 0.000000 22.62009 
1 1 1   10   15    0 o  263.199   15.173  871.752   99.302  880.034  138.730  863.049  142.203  263.470   21.267  260.751   22.046 2.718842 30.63149 
1 1 1   10   15    1 o   87.205   15.457   98.198   32.428   84.120   42.826  117.116   49.646   80.297   21.087   94.584   21.506 -14.28671 30.11925 
1 1 1   10   15    2 o  202.638   19.876  521.207   99.285   0.0000   0.0000  521.207   99.285  ?   ?   202.638   19.876 0.000000 19.87650 
1 1 1   10   15    3 o  613.231   27.619  4758.06  422.949  4875.33  597.627  4640.39  598.656  615.556   39.081  599.974   40.189 15.58191 56.05832 
1 1 1   10   15    4 o  628.231   28.191  4994.78  442.258  5072.12  624.979  4917.21  625.917  627.630   40.085  617.589   40.815 10.04071 57.20758 
1 1 1   10   15    5 o  306.498   16.371  1181.52  124.844  1233.34  175.837  1128.84  177.284  312.139   22.714  298.308   24.002 13.83136 33.04588 
1 1 1   10   15    6 o  985.797   34.356 12370.68  845.747 11821.72  1034.83 13474.91  1467.69  958.330   43.242  1009.28   58.484 -50.94745 72.73414 
1 1 1   10   15    7 o  511.451   33.822  3341.10  429.536  3341.10  429.536   0.0000   0.0000  511.451   33.822  ?   ?  0.000000 33.82238 
1 1 1   10   15    8 o  528.945   19.638  3515.47  259.387  3659.19  317.456  3226.81  449.914  538.898   23.590  501.793   36.147 37.10480 43.16360 
1 1 1   10   15    9 o  547.767   20.248  3771.74  276.966  3734.76  338.788  3846.25  480.930  544.132   24.933  548.338   35.310 -4.206421 43.22553 
1 1 1   10   15   10 o  966.032   33.276 11867.72  802.739 11304.81  982.258 12999.69  1392.92  937.841   41.942  992.954   56.408 -55.11322 70.29202 
1 1 1   10   15   11 o  321.403   12.393  1293.18   99.469  1161.33  120.947  1568.72  174.848  303.899   15.994  352.711   19.933 -48.81168 25.55625 
1 1 1   10   15   12 o  838.434   29.703  8913.69  621.896  9160.20  761.752  8421.01  1076.91  846.905   36.019  799.200   54.282 47.70508 65.14498 
1 1 1   10   15   13 o  283.361   12.144  1005.25   85.930  947.662  104.639  1124.53  150.589  274.483   15.327  298.299   20.337 -23.81610 25.46616 
1 1 1   10   15   14 o  444.531   20.542  2487.53  228.035  2300.13  321.161  2678.06  323.836  424.352   30.511  458.708   28.411 -34.35590 41.69022 
1 1 1   10   15   15 o  506.767   23.418  3242.83  296.350  3413.71  418.645  3071.21  419.561  516.273   32.641  488.824   34.594 27.44888 47.56235 
1 1 1   10   15   16 o  269.610   12.416  910.689   83.592  987.337  102.210  755.857  145.269  280.161   14.660  243.309   24.231 36.85136 28.32123 
1 1 1   10   15   17 o  352.126   14.065  1555.48  123.681  1572.58  151.338  1521.09  214.615  353.654   17.136  345.591   25.038 8.063171 30.34081 
1 1 1   10   15   18 o  220.149   9.3783  606.521   51.557  642.386   73.257  571.321   72.574  225.953   13.039  212.953   13.720 12.99956 18.92752 
1 1 1   10   15   19 o  355.865   12.598  1588.35  111.952  1585.46  158.593  1591.22  158.057  354.273   17.985  354.939   17.890 -0.6659241 25.36779 
1 1 1   10   15   20 o  260.085   10.019  847.255   65.069  852.451   92.362  842.135   91.685  260.077   14.276  258.497   14.259 1.580383 20.17695 
1 1 1   10   15   21 o   97.599   8.4655  120.120   20.428  118.105   29.740  121.920   28.108   96.171   12.694   97.893   11.732 -1.722076 17.28488 
1 1 1   10   15   22 o  594.169   18.808  4466.97  279.069  4396.23  394.899  4537.53  394.427  585.351   27.016  594.958   26.548 -9.607178 37.87671 
1 1 1   10   15   23 o  459.118   15.181  2656.83  174.048  2661.70  246.602  2652.00  245.683  457.348   21.592  456.530   21.550 0.8174438 30.50654 
1 1 1   10   15   24 o  353.266   17.584  1579.41  155.124   0.0000   0.0000  1579.41  155.124  ?   ?   353.266   17.584 0.000000 17.58438 
1 1 1   10   15   25 o  425.719   21.108  2309.60  224.394  2309.60  224.394   0.0000   0.0000  425.719   21.108  ?   ?  0.000000 21.10751 
1 1 1   10   15   26 o  222.503   9.9183  621.071   55.109  675.628   78.450  567.921   77.432  231.192   13.649  211.672   14.741 19.52034 20.08953 
1 1 1   10   15   27 o  280.385   10.599  987.062   74.208  1039.53  105.261  935.220  104.634  286.629   14.756  271.644   15.489 14.98502 21.39294 
1 1 1   10   15   28 o  508.117   16.762  3269.80  212.682  3280.53  300.767  3259.06  300.789  505.320   23.835  503.615   23.917 1.704895 33.76595 
1 1 1   10   15   29 o  221.292   9.5223  614.318   52.621  632.511   73.756  595.458   75.097  223.671   13.264  216.854   13.942 6.816589 19.24336 
1 1 1   10   15   30 f  337.686   14.354  1439.35  121.045  1395.14  148.607  1526.51  208.656  330.956   18.049  343.448   24.489 -12.49136 30.42204 
1 1 1   10   15   31 o  109.906   15.853  155.894   42.250  155.894   42.250   0.0000   0.0000  109.906   15.853  ?   ?  0.000000 15.85251 
1 1 1   10   15   32 o  124.763   16.122  200.326   49.053  200.326   49.053   0.0000   0.0000  124.763   16.122  ?   ?  0.000000 16.12155 
1 1 1   10   15   33 o  122.755   10.604  190.780   32.186  176.392   40.512  215.406   52.999  117.356   14.106  129.239   16.821 -11.88280 21.95268 
1 1 1   10   15   34 o  296.658   12.604  1109.90   93.368  1123.90  115.521  1083.52  158.555  297.343   15.613  289.368   22.109 7.974487 27.06626 
1 1 1   10   15   35 o  170.359   10.978  366.895   46.454  363.769   58.568  372.197   76.279  168.977   14.006  169.771   18.281 -0.7943573 23.02936 
1 1 1   10   15   36 o  213.619   11.355  577.192   60.356  579.739   75.633  572.726  100.153  213.300   14.282  210.278   19.288 3.021988 23.99995 
1 1 1   10   15   37 o  216.000   11.618  591.478   62.435  584.766   78.456  603.071  103.101  213.772   14.788  215.268   19.387 -1.495575 24.38325 
1 1 1   10   15   38 o  289.340   16.677  1080.11  119.990  1125.15  179.506  1043.72  161.329  289.599   25.069  280.202   23.267 9.396790 34.20223 
1 1 1   10   15   39 o   98.760   13.479  126.722   32.373  113.697   43.575  142.767   48.363   91.619   19.636  102.970   19.523 -11.35035 27.68995 
1 1 1   10   15   40 o  175.747   11.848  395.371   51.696  417.920   66.995  362.186   81.275  179.365   15.098  164.384   20.226 14.98051 25.23940 
1 1 1   10   15   41 o  206.252   12.269  546.484   62.908  566.172   80.922  516.414  100.009  208.125   15.685  195.457   20.810 12.66801 26.05920 
1 1 1   10   15   42 o  118.546   14.059  184.223   40.807  172.848   55.900  197.201   59.708  111.778   20.792  119.592   20.745 -7.813469 29.37122 
1 1 1   10   15   43 o  141.220   20.959  275.678   71.670   0.0000   0.0000  275.678   71.670  ?   ?   141.220   20.959 0.000000 20.95902 
1 1 1   10   16    0 o   85.462   15.581   94.543   32.026   74.703   41.512  123.716   50.337   75.856   21.130   97.165   21.330 -21.30906 30.02444 
1 1 1   10   16    1 o  112.746   13.881  161.770   38.256  156.291   50.569  169.102   58.496  109.887   19.123  114.005   21.331 -4.118759 28.64791 
1 1 1   10   16    2 o  259.953   14.922  850.426   96.460  804.498  134.612  898.900  138.292  251.705   21.626  266.290   20.966 -14.58505 30.12090 
1 1 1   10   16    3 o  166.893   19.556  355.115   79.957   0.0000   0.0000  355.115   79.957  ?   ?   166.893   19.556 0.000000 19.55599 
1 1 1   10   16    4 o  552.798   25.222  3862.56  348.173  3887.78  491.509  3837.17  493.278  550.061   35.981  546.289   36.367 3.772217 51.15826 
1 1 1   10   16    5 o  710.796   31.609  6427.32  561.062  6437.69  792.726  6416.91  794.200  703.208   45.385  701.962   45.553 1.245789 64.30318 
1 1 1   10   16    6 o  204.550   13.743  526.589   69.792  562.597   97.402  488.595  100.053  210.775   18.700  195.964   20.762 14.81047 27.94150 
1 1 1   10   16    7 o  493.941   22.956  3075.73  283.151  3237.90  399.986  2912.83  400.888  503.581   31.973  476.879   33.884 26.70242 46.58780 
1 1 1   10   16    8 o  586.608   38.265  4428.68  557.458  4428.68  557.458   0.0000   0.0000  586.608   38.265  ?   ?  0.000000 38.26476 
1 1 1   10   16    9 o  342.602   14.271  1471.04  122.095  1629.48  149.241  1150.36  212.314  360.346   16.585  299.964   28.694 60.38168 33.14228 
1 1 1   10   16   10 o  1022.97   36.404 13388.64  929.955 13473.76  1138.76 13218.21  1611.30  1019.99   44.708  988.326   65.660 31.66589 79.43584 
1 1 1   10   16   11 o  159.367   10.775  319.260   42.631  349.786   51.234  250.559   76.859  166.675   12.398  139.193   22.909 27.48236 26.04896 
1 1 1   10   16   12 o  583.423   21.487  4288.55  313.041  4446.60  383.282  3971.88  542.523  592.874   25.888  554.325   39.450 38.54901 47.18592 
1 1 1   10   16   13 o  391.509   15.347  1923.07  150.047  1887.53  183.310  1995.23  261.204  387.386   18.949  396.042   26.565 -8.655670 32.63091 
1 1 1   10   16   14 o  197.840   9.5742  489.669   47.301  413.559   56.823  661.420   85.359  181.248   12.633  229.122   15.002 -47.87408 19.61256 
1 1 1   10   16   15 o  200.284   12.163  504.375   60.544  377.978   82.889  648.943   88.647  172.150   19.632  226.802   15.749 -54.65143 25.16899 
1 1 1   10   16   16 o  480.411   17.935  2904.13  215.161  2865.75  263.197  2981.44  373.581  476.266   22.130  482.072   31.200 -5.805664 38.25160 
1 1 1   10   16   17 o  352.972   14.148  1563.72  124.702  1537.65  152.361  1616.64  217.041  349.544   17.455  356.239   24.548 -6.694824 30.12078 
1 1 1   10   16   18 o  316.798   13.054  1259.11  103.272  1262.10  126.248  1253.06  179.541  316.393   16.031  313.638   23.086 2.755188 28.10624 
1 1 1   10   16   19 o  378.747   15.060  1803.54  142.442  1809.26  174.237  1792.00  247.339  378.700   18.424  373.909   26.664 4.791046 32.41063 
1 1 1   10   16   20 o  146.309   8.2483  268.733   30.013  309.860   42.737  228.712   42.159  156.837   10.981  134.389   12.714 22.44836 16.79943 
1 1 1   10   16   21 o  165.840   9.1952  345.513   37.932  292.248   53.937  397.634   53.354  151.749   14.406  177.575   12.104 -25.82642 18.81622 
1 1 1   10   16   22 o  438.246   14.274  2417.44  156.217  2523.58  221.421  2312.25  220.430  446.085   19.877  426.725   20.686 19.36044 28.68788 
1 1 1   10   16   23 o  291.123   10.605  1063.30   77.096  1100.04  109.766  1027.52  108.309  295.048   14.947  285.057   15.271 9.990997 21.36824 
1 1 1   10   16   24 o  320.380   11.265  1288.97   90.123  1403.39  128.199  1177.17  126.721  333.471   15.395  304.684   16.719 28.78671 22.72725 
1 1 1   10   16   25 o  326.619   11.446  1340.26   93.354  1465.88  132.720  1217.24  131.337  340.684   15.600  309.659   17.050 31.02533 23.11016 
1 1 1   10   16   26 o  346.513   12.566  1510.79  108.735  1537.23  154.101  1484.58  153.451  347.756   17.805  341.651   18.050 6.105499 25.35398 
1 1 1   10   16   27 o  509.194   16.409  3281.22  208.645  3454.61  295.484  3108.80  294.655  519.260   22.788  491.909   23.987 27.35104 33.08559 
1 1 1   10   16   28 o  202.072   9.9905  512.461   50.413  482.977   70.965  542.499   71.629  195.063   14.676  206.955   13.941 -11.89177 20.24221 
1 1 1   10   16   29 o  223.108   10.792  625.312   60.128  660.342   84.165  588.798   85.929  228.188   14.851  215.117   16.113 13.07082 21.91327 
1 1 1   10   16   30 o  326.380   13.690  1343.39  111.576  1310.84  137.159  1407.06  191.847  321.055   17.170  330.127   23.423 -9.072327 29.04252 
1 1 1   10   16   31 o  278.100   12.553  974.027   87.174  921.508  107.371  1075.60  149.323  269.312   16.038  289.388   20.802 -20.07578 26.26657 
1 1 1   10   16   32 o  253.202   11.746  806.782   74.270  807.310   91.862  805.786  126.202  252.332   14.642  250.327   20.365 2.004715 25.08220 
1 1 1   10   16   33 o  368.794   14.580  1719.70  134.273  1724.83  165.224  1709.74  230.424  368.150   17.972  362.220   25.640 5.929565 31.31155 
1 1 1   10   16   34 o  247.704   20.456  791.392  125.402  791.392  125.402   0.0000   0.0000  247.704   20.456  ?   ?  0.000000 20.45621 
1 1 1   10   16   35 o  174.153   12.577  384.803   54.329  372.338   75.490  398.197   78.250  169.862   18.075  175.715   18.092 -5.853180 25.57342 
1 1 1   10   16   36 o  283.257   12.538  1014.32   88.687  1048.54  110.448  952.205  148.803  286.675   15.486  270.079   22.262 16.59592 27.11803 
1 1 1   10   16   37 o   89.134   12.769  102.637   27.609   99.841   36.492  106.379   42.221   86.760   17.448   89.126   19.511 -2.366158 26.17512 
1 1 1   10   16   38 o   82.260   13.847   88.441   27.434   76.960   37.020  102.425   40.858   75.571   19.490   87.256   19.266 -11.68494 27.40535 
1 1 1   10   16   39 o   68.918   15.942   63.525   26.890   56.150   37.239   71.559   38.870   65.359   20.501   72.721   20.514 -7.361771 29.00192 
1 1 1   10   16   40 o  160.174   11.848  328.609   47.054  294.387   61.655  376.342   72.816  149.664   16.786  169.068   17.500 -19.40425 24.24955 
1 1 1   10   16   41 o  290.143   17.556  1108.76  126.605  1083.09  190.955  1128.89  169.119  275.956   28.102  286.627   23.844 -10.67175 36.85511 
1 1 1   10   16   42 o   68.120   18.403   63.693   32.045   36.134   49.968   82.946   41.765   59.752   23.267   77.045   21.091 -17.29309 31.40367 
1 1 1   10   16   43 o   67.893   22.035   62.932   42.728   0.0000   0.0000   62.932   42.728  ?   ?    67.893   22.035 0.000000 22.03511 
1 1 1   10   17    0 o  273.577   15.297  943.532  104.085  893.640  144.736  996.969  149.790  264.835   22.087  279.941   21.594 -15.10596 30.88897 
1 1 1   10   17    1 o  647.565   29.194  5353.61  472.091  5354.29  666.485  5352.92  668.796  638.954   42.005  638.754   42.166 0.2001953 59.51757 
1 1 1   10   17    2 f  435.881   20.834  2397.88  226.776  2427.12  319.404  2368.14  322.033  435.245   29.562  429.663   30.206 5.581299 42.26495 
1 1 1   10   17    3 o  336.207   17.334  1425.11  145.036  1407.71  203.554  1443.05  206.707  332.499   24.692  336.650   24.762 -4.151093 34.96909 
1 1 1   10   17    4 o  311.667   23.865  1235.45  184.329   0.0000   0.0000  1235.45  184.329  ?   ?   311.667   23.865 0.000000 23.86522 
1 1 1   10   17    5 o  157.951   12.840  314.683   50.206  258.928   67.879  382.022   74.598  142.090   19.657  173.477   17.457 -31.38786 26.28969 
1 1 1   10   17    6 o  160.882   13.195  326.539   52.546  343.757   72.019  306.941   76.836  164.420   17.826  154.803   20.371 9.616592 27.06916 
1 1 1   10   17    7 o  332.136   17.360  1389.88  143.482  1546.90  202.104  1230.31  203.735  349.226   23.309  310.516   26.529 38.71091 35.31401 
1 1 1   10   17    8 o  264.968   15.042  883.584   99.116  870.320  138.596  897.470  141.802  261.912   21.377  265.960   21.536 -4.048279 30.34415 
1 1 1   10   17    9 o  459.549   31.054  2701.91  354.281  2701.91  354.281   0.0000   0.0000  459.549   31.054  ?   ?  0.000000 31.05429 
1 1 1   10   17   10 o  426.529   16.555  2284.77  176.327  2297.86  215.355  2258.16  307.131  427.145   20.190  420.440   29.439 6.705780 35.69674 
1 1 1   10   17   11 o  346.859   13.856  1508.46  120.016  1439.26  146.168  1651.65  210.257  337.971   17.378  360.817   23.463 -22.84637 29.19736 
1 1 1   10   17   12 o  410.543   15.864  2116.24  162.633  2039.40  198.470  2273.29  283.745  402.404   19.751  422.447   27.039 -20.04279 33.48422 
1 1 1   10   17   13 o  642.338   23.305  5216.30  373.827  5214.27  457.476  5220.40  648.528  640.202   28.615  633.100   41.246 7.101563 50.20050 
1 1 1   10   17   14 o  224.553   10.955  631.412   61.432  598.468   74.376  702.139  108.977  218.012   13.732  235.427   18.690 -17.41554 23.19245 
1 1 1   10   17   15 f  290.787   15.973  1065.75  115.543  1148.90  161.959  979.557  164.886  300.795   21.708  277.067   24.070 23.72757 32.41303 
1 1 1   10   17   16 o  200.464   11.361  505.096   56.638  614.851   68.920  276.791   99.401  221.092   12.535  144.937   28.479 76.15451 31.11587 
1 1 1   10   17   17 o  329.686   13.241  1363.96  109.012  1325.47  132.982  1442.81  190.340  324.147   16.483  336.702   22.772 -12.55518 28.11103 
1 1 1   10   17   18 o  331.186   13.335  1377.02  110.281  1371.07  134.694  1389.11  192.078  330.019   16.344  329.969   23.464 0.4998779E-01 28.59486 
1 1 1   10   17   19 f  496.291   18.378  3109.99  227.761  3071.08  278.620  3188.37  395.428  491.743   22.689  495.946   32.101 -4.203400 39.31007 
1 1 1   10   17   20 o  489.546   18.403  3028.93  224.971  3013.31  275.346  3060.29  390.192  486.769   22.652  485.001   32.403 1.767517 39.53595 
1 1 1   10   17   21 o  161.001   10.097  326.204   40.389  332.729   49.014  312.398   71.292  162.324   12.180  156.055   18.665 6.269806 22.28747 
1 1 1   10   17   22 o  462.166   17.493  2701.20  201.884  2718.45  247.279  2666.71  349.610  462.177   21.425  452.086   31.158 10.09131 37.81375 
1 1 1   10   17   24 o  364.202   18.376  1686.44  166.584  1604.68  236.596  1766.82  234.587  351.527   27.163  369.748   25.564 -18.22153 37.30068 
1 1 1   10   17   25 o  115.110   10.923  167.872   31.022  216.261   48.436  134.216   40.395  130.024   15.205  101.770   16.457 28.25463 22.40545 
1 1 1   10   17   26 o  236.796   15.045  710.797   88.501  546.402  126.849  866.714  123.535  204.513   25.384  260.431   19.129 -55.91777 31.78457 
1 1 1   10   17   27 o  375.428   19.064  1796.97  178.142  1624.77  253.004  1966.29  250.872  352.163   29.028  389.397   25.948 -37.23392 38.93496 
1 1 1   10   17   28 o  109.732   10.326  152.498   27.962  286.805   47.704   82.197   34.513  150.381   12.826   78.950   17.916 71.43095 22.03413 
1 1 1   10   17   29 o  272.671   15.540  943.161  105.372  883.282  151.499  999.273  146.657  261.215   23.476  278.832   21.222 -17.61627 31.64621 
1 1 1   10   17   30 o  303.897   12.432  1162.77   94.347  1252.47  116.310  990.199  161.326  314.857   14.793  276.562   23.585 38.29575 27.84018 
1 1 1   10   17   31 o  363.823   15.047  1673.56  136.703  1604.15  167.836  1810.35  235.633  354.400   19.034  373.346   25.425 -18.94620 31.76074 
1 1 1   10   17   32 o  249.292   11.144  781.513   69.377  742.622   85.942  854.268  117.547  242.051   14.282  258.464   18.331 -16.41292 23.23769 
1 1 1   10   17   33 o  248.755   11.629  778.912   72.238  739.940   89.605  851.269  122.095  241.377   14.939  257.628   19.114 -16.25159 24.25978 
1 1 1   10   17   34 o  154.590   10.215  301.676   39.211  292.534   49.997  316.284   63.199  151.634   13.339  157.006   16.359 -5.371933 21.10850 
1 1 1   10   17   35 o  242.931   11.941  744.297   72.440  734.161   90.259  762.641  121.431  240.096   15.131  242.896   20.203 -2.800674 25.24131 
1 1 1   10   17   36 o   70.930   13.574   65.797   23.168   51.529   31.340   82.987   34.401   62.859   18.634   79.021   17.854 -16.16173 25.80651 
1 1 1   10   17   37 f  214.559   19.979  600.610  105.817  600.610  105.817   0.0000   0.0000  214.559   19.979  ?   ?  0.000000 19.97938 
1 1 1   10   17   38 o  110.102   13.206  156.277   35.585  178.456   52.311  137.173   48.550  116.090   18.678  101.085   19.942 15.00488 27.32276 
1 1 1   10   17   39 o  185.744   11.474  439.494   52.959  472.846   68.898  391.331   82.795  191.576   14.509  171.964   19.632 19.61130 24.41201 
1 1 1   10   17   40 o   86.549   14.877   99.008   30.994  100.715   45.958   97.584   41.977   85.360   21.556   84.347   20.197 1.012749 29.53902 
1 1 1   10   17   41 o  268.702   13.278  927.977   89.095  909.770  112.646  958.397  145.603  263.013   17.246  265.711   22.145 -2.698975 28.06873 
1 1 1   10   17   42 o  109.087   14.465  156.665   38.433  124.620   55.876  185.438   52.947   93.382   23.870  116.940   18.766 -23.55779 30.36355 
1 1 1   10   17   43 o   62.265   20.710   51.363   37.658   0.0000   0.0000   51.363   37.658  ?   ?    62.265   20.710 0.000000 20.70985 
1 1 1   10   18    0 o  255.553   14.524  823.873   92.302  723.152  126.782  937.474  134.643  237.851   21.580  271.461   20.003 -33.61014 29.42490 
1 1 1   10   18    1 o  232.519   14.433  682.086   83.389  679.777  115.510  684.599  120.509  230.984   20.229  231.615   21.066 -0.6306000 29.20618 
1 1 1   10   18    2 o  118.028   13.662  177.208   39.522  180.082   52.087  173.307   60.677  118.170   18.238  115.151   21.902 3.019188 28.50102 
1 1 1   10   18    3 o  280.747   15.725  994.067  109.801  1026.05  153.394  960.465  157.242  283.955   21.799  274.338   23.169 9.616760 31.81203 
1 1 1   10   18    4 o  240.440   14.405  728.445   86.091  694.204  119.651  765.200  123.966  233.551   20.731  245.357   20.418 -11.80569 29.09783 
1 1 1   10   18    5 o  425.957   29.605  2327.64  312.949   0.0000   0.0000  2327.64  312.949  ?   ?   425.957   29.605 0.000000 29.60492 
1 1 1   10   18    6 o  188.217   13.484  446.613   62.956  453.245   86.328  439.079   92.010  188.818   18.548  185.505   20.188 3.312531 27.41518 
1 1 1   10   18    7 o  335.333   17.412  1418.35  145.303  1472.01  204.046  1363.16  206.966  340.064   24.186  326.816   25.563 13.24802 35.19128 
1 1 1   10   18    8 o  154.945   13.092  303.146   50.182  290.551   68.257  317.962   74.031  150.808   18.513  157.735   19.190 -6.926422 26.66464 
1 1 1   10   18    9 o  188.786   13.417  449.194   62.838  463.010   86.540  433.785   91.392  190.918   18.379  184.407   20.176 6.511032 27.29165 
1 1 1   10   18   10 o  403.776   28.054  2084.50  281.109  2084.50  281.109   0.0000   0.0000  403.776   28.054  ?   ?  0.000000 28.05357 
1 1 1   10   18   11 o  672.439   24.482  5730.32  411.111  5838.29  503.172  5513.51  713.013  676.351   29.792  647.493   44.365 28.85834 53.43941 
1 1 1   10   18   12 o  297.062   12.864  1106.49   95.429  1105.59  115.965  1108.38  167.959  296.223   15.733  295.105   22.973 1.118561 27.84386 
1 1 1   10   18   13 o  312.112   13.551  1222.18  105.617  1395.53  128.993  869.577  183.968  333.267   15.500  259.581   28.869 73.68585 32.76717 
1 1 1   10   18   14 o  447.500   16.834  2519.74  188.115  2447.20  229.732  2667.35  327.718  440.096   20.904  456.164   28.919 -16.06799 35.68281 
1 1 1   10   18   15 o  593.319   20.977  4450.68  310.796  4197.01  379.870  4964.28  540.528  574.042   26.500  618.838   35.122 -44.79565 43.99788 
1 1 1   10   18   16 o  632.515   27.525  5109.25  434.753  4504.37  612.620  5722.97  617.072  583.818   42.308  662.242   37.467 -78.42419 56.51321 
1 1 1   10   18   17 o  305.218   13.050  1169.49   99.465  1169.28  121.189  1169.93  174.103  304.366   16.001  302.668   23.212 1.698181 28.19258 
1 1 1   10   18   18 o  431.655   16.762  2348.77  180.685  2429.88  221.021  2185.34  313.729  438.104   20.203  410.711   30.814 27.39279 36.84602 
1 1 1   10   18   19 o  319.354   13.357  1281.71  106.520  1266.15  129.858  1313.72  186.237  316.456   16.490  320.360   23.442 -3.904236 28.66109 
1 1 1   10   18   20 o  116.503   9.8878  171.330   28.495  154.635   33.590  214.176   53.812  110.270   12.415  129.146   17.107 -18.87634 21.13684 
1 1 1   10   18   21 o  449.114   17.012  2548.97  190.793  2601.48  233.564  2443.67  330.772  452.426   20.673  432.917   30.797 19.50864 37.09261 
1 1 1   10   18   23 o  232.902   19.959  694.637  114.961  694.637  114.961   0.0000   0.0000  232.902   19.959  ?   ?  0.000000 19.95929 
1 1 1   10   18   24 f  189.387   10.420  451.541   49.092  475.898   60.399  404.126   84.269  194.096   12.528  177.309   19.346 16.78725 23.04835 
1 1 1   10   18   25 o  398.953   15.880  2012.38  158.202  1995.11  193.908  2046.75  273.590  395.944   19.612  396.414   27.814 -0.4702148 34.03254 
1 1 1   10   18   26 o  441.690   17.118  2472.52  188.806  2526.69  231.369  2364.54  326.657  444.922   20.824  423.823   31.081 21.09976 37.41235 
1 1 1   10   18   27 o  203.655   9.5519  520.336   48.577  482.200   68.533  558.845   68.866  194.996   14.171  210.202   13.186 -15.20668 19.35710 
1 1 1   10   18   28 f  121.905   8.7781  187.266   26.543  186.204   36.768  188.422   38.358  121.016   12.340  121.656   12.819 -0.6404114 17.79296 
1 1 1   10   18   29 o  159.589   9.8185  320.844   38.939  286.651   48.294  384.375   65.829  150.289   12.996  173.706   15.333 -23.41693 20.09988 
1 1 1   10   18   30 o  256.923   11.704  830.409   75.089  766.414   92.358  955.191  128.967  245.763   15.122  273.257   19.018 -27.49373 24.29781 
1 1 1   10   18   31 o  177.199   10.735  396.023   47.276  343.842   58.659  492.745   79.862  164.371   14.437  196.507   16.425 -32.13634 21.86818 
1 1 1   10   18   32 o  142.435   9.6165  255.823   34.004  153.960   42.854  428.982   55.874  109.072   16.228  184.159   12.219 -75.08635 20.31390 
1 1 1   10   18   33 o  536.635   24.597  3728.81  329.617  3926.26  468.680  3535.57  463.657  540.068   34.939  510.608   36.606 29.46017 50.60355 
1 1 1   10   18   34 o  370.467   18.363  1751.48  169.882  1799.99  243.885  1705.75  236.771  370.421   26.542  360.591   26.480 9.829559 37.49164 
1 1 1   10   18   35 f  175.369   9.9266  387.925   43.293  455.501   55.691  284.716   68.825  189.694   11.815  147.961   19.071 41.73254 22.43454 
1 1 1   10   18   36 o  123.977   10.797  195.159   33.094  198.536   44.321  190.904   49.752  124.226   14.564  121.166   16.903 3.060127 22.31176 
1 1 1   10   18   37 f   98.128   11.821  123.491   28.384  144.465   40.083  102.394   40.200  105.273   15.730   87.514   18.944 17.75919 24.62317 
1 1 1   10   18   38 f   81.179   13.256   85.899   25.944   99.183   37.915   74.202   35.578   86.078   18.207   74.243   19.085 11.83516 26.37696 
1 1 1   10   18   39 o  172.388   11.050  378.259   47.318  426.072   62.698  314.994   72.122  182.021   13.899  154.288   19.129 27.73259 23.64540 
1 1 1   10   18   40 o  163.516   21.092  360.205   84.116  360.205   84.116   0.0000   0.0000  163.516   21.092  ?   ?  0.000000 21.09172 
1 1 1   10   18   41 o  147.620   14.041  283.288   51.137  255.785   79.049  303.081   67.060  135.104   24.325  150.802   18.174 -15.69800 30.36405 
1 1 1   10   18   42 o  177.105   19.189  422.048   83.509   0.0000   0.0000  422.048   83.509  ?   ?   177.105   19.189 0.000000 19.18904 
1 1 1   10   19    0 o   93.264   19.014  114.104   42.782  114.104   42.782   0.0000   0.0000   93.264   19.014  ?   ?  0.000000 19.01440 
1 1 1   10   19    1 o  196.582   14.047  488.603   68.503  517.689   92.556  453.369  101.868  201.457   18.608  187.552   22.180 13.90541 28.95192 
1 1 1   10   19    2 o  332.433   17.554  1398.97  145.208  1478.33  203.225  1316.20  207.555  339.737   24.111  319.729   26.227 20.00760 35.62538 
1 1 1   10   19    3 o  423.872   20.438  2275.41  216.331  2284.19  304.169  2266.42  307.737  420.727   29.130  418.852   29.613 1.874634 41.53897 
1 1 1   10   19    4 o  261.794   15.151  864.959   98.624  874.869  137.128  854.340  141.949  261.987   21.140  258.605   22.196 3.382446 30.65238 
1 1 1   10   19    5 o  276.669   15.488  965.865  106.578  955.159  148.684  977.180  152.851  273.690   21.939  276.752   22.306 -3.061523 31.28750 
1 1 1   10   19    6 o  255.931   21.728  835.225  137.550   0.0000   0.0000  835.225  137.550  ?   ?   255.931   21.728 0.000000 21.72756 
1 1 1   10   19    7 o  335.873   17.283  1424.64  144.468  1399.37  202.313  1450.93  206.365  330.948   24.657  337.009   24.693 -6.060486 34.89582 
1 1 1   10   19    8 o  264.170   15.118  879.942   99.314  880.140  138.164  879.730  142.855  262.961   21.221  262.718   21.977 0.2427979 30.55009 
1 1 1   10   19    9 o  282.232   15.838  1004.85  111.172  1078.45  155.456  927.806  159.047  291.187   21.531  269.379   23.891 21.80801 32.16213 
1 1 1   10   19   10 o  341.070   17.539  1469.13  148.876  1497.44  208.989  1439.96  212.131  342.495   24.599  335.547   25.507 6.947723 35.43642 
1 1 1   10   19   11 o  294.208   22.566  1102.90  164.529  1102.90  164.529   0.0000   0.0000  294.208   22.566  ?   ?  0.000000 22.56618 
1 1 1   10   19   12 o  222.431   11.410  621.738   63.162  645.067   76.167  570.376  113.016  226.284   13.541  211.192   21.740 15.09206 25.61242 
1 1 1   10   19   13 o  141.522   10.478  252.267   36.766  274.229   43.531  197.615   68.671  147.405   11.928  122.868   23.232 24.53713 26.11547 
1 1 1   10   19   14 o  221.545   10.827  615.083   59.901  576.897   72.044  700.604  107.814  213.915   13.557  234.915   18.529 -20.99985 22.95900 
1 1 1   10   19   15 o  178.820   8.9222  400.293   39.842  327.547   46.938  587.798   75.359  161.184   11.742  215.830   14.059 -54.64629 18.31746 
1 1 1   10   19   16 o  194.274   11.746  475.168   56.715  337.173   76.288  645.674   84.800  162.225   19.204  226.032   15.111 -63.80669 24.43648 
1 1 1   10   19   17 o  538.211   24.641  3695.74  331.172  3600.46  466.972  3792.14  469.737  523.929   35.908  538.292   35.138 -14.36310 50.24015 
1 1 1   10   19   18 o  110.164   10.464  153.516   28.441  169.760   33.307  109.791   54.646  115.722   11.686   91.129   23.766 24.59348 26.48397 
1 1 1   10   19   19 o  293.843   12.898  1085.31   94.639  1116.23  115.203  1021.13  165.972  297.150   15.580  281.840   23.805 15.30948 28.44970 
1 1 1   10   19   20 o  343.878   14.028  1488.88  120.464  1491.81  146.934  1482.88  210.391  343.514   17.129  339.276   25.009 4.238739 30.31249 
1 1 1   10   19   21 o  123.447   9.9963  192.368   30.551  207.237   36.194  155.521   56.977  127.953   11.449  108.617   21.765 19.33577 24.59214 
1 1 1   10   19   22 o   91.791   17.899  110.327   39.555  110.327   39.555   0.0000   0.0000   91.791   17.899  ?   ?  0.000000 17.89938 
1 1 1   10   19   23 o  144.941   9.8488  264.750   35.436  288.946   42.748  211.610   63.353  151.221   11.404  127.340   20.628 23.88126 23.57085 
1 1 1   10   19   24 o  265.079   11.737  883.446   77.691  901.599   95.185  847.218  134.468  266.965   14.330  256.791   21.158 10.17371 25.55408 
1 1 1   10   19   25 f  609.721   22.578  4764.15  343.764  4725.85  421.072  4840.68  595.279  603.149   27.956  597.232   40.147 5.917297 48.92212 
1 1 1   10   19   26 o  341.582   13.665  1471.20  116.564  1530.66  142.817  1352.58  201.734  347.654   16.451  322.871   25.221 24.78293 30.11171 
1 1 1   10   19   27 o  194.590   10.136  476.663   49.084  507.850   59.588  410.840   86.568  200.560   11.952  178.514   19.750 22.04663 23.08504 
1 1 1   10   19   28 o  152.853   10.546  294.859   40.007  294.859   40.007   0.0000   0.0000  152.853   10.546  ?   ?  0.000000 10.54581 
1 1 1   10   19   29 o  260.559   20.676  872.687  133.426  872.687  133.426   0.0000   0.0000  260.559   20.676  ?   ?  0.000000 20.67594 
1 1 1   10   19   30 o  225.243   19.117  650.818  106.515  650.818  106.515   0.0000   0.0000  225.243   19.117  ?   ?  0.000000 19.11735 
1 1 1   10   19   31 o  214.529   18.754  590.479   99.459  590.479   99.459   0.0000   0.0000  214.529   18.754  ?   ?  0.000000 18.75395 
1 1 1   10   19   32 o  260.172   12.412  852.955   80.644  751.252   99.221  1050.90  138.422  242.801   16.462  286.267   19.479 -43.46631 25.50370 
1 1 1   10   19   33 o  268.246   12.193  906.795   81.679  875.014  100.755  967.723  139.504  262.340   15.448  274.099   20.530 -11.75931 25.69295 
1 1 1   10   19   34 o  423.045   16.654  2276.12  175.935  2199.97  215.963  2426.37  303.362  413.207   20.999  428.509   28.513 -15.30243 35.41057 
1 1 1   10   19   35 o  302.047   11.834  1150.89   89.263  1281.65  110.775  908.789  150.735  318.113   13.945  263.747   23.120 54.36624 26.99955 
1 1 1   10   19   36 o   96.868   12.240  120.432   28.948   68.163   39.433  181.522   42.631   71.768   20.798  118.652   14.703 -46.88400 25.47015 
1 1 1   10   19   37 o  132.671   13.461  225.765   43.979  203.548   74.397  237.699   54.527  122.041   25.245  135.303   16.478 -13.26195 30.14667 
1 1 1   10   19   38 o   80.087   15.204   84.666   29.295   83.554   64.552   84.955   32.876   80.189   27.117   79.792   17.019 0.3969727 32.01501 
1 1 1   10   19   39 o  120.174   11.789  185.197   34.922  170.843   48.977  200.042   49.809  113.460   17.878  123.431   16.579 -9.970749 24.38179 
1 1 1   10   19   40 o  144.570   11.289  267.413   40.433  296.892   56.138  235.635   58.286  150.996   15.090  133.192   17.984 17.80406 23.47610 
1 1 1   10   19   41 o  145.434   11.763  271.856   42.354  300.499   59.920  243.254   59.876  151.128   16.126  134.848   18.250 16.28040 24.35393 
1 1 1   10   19   42 o  270.033   22.849  1003.54  152.632   0.0000   0.0000  1003.54  152.632  ?   ?   270.033   22.849 0.000000 22.84935 
1 1 1   10   20    0 o  103.257   14.471  137.062   36.289  130.886   45.874  147.390   59.323   99.884   19.087  105.276   23.192 -5.391663 30.03623 
1 1 1   10   20    1 o  101.350   15.320  132.481   37.564  194.766   48.426   38.385   59.522  123.132   16.138   66.123   25.492 57.00882 30.17077 
1 1 1   10   20    2 o  206.683   19.175  546.416   97.840  546.416   97.840   0.0000   0.0000  206.683   19.175  ?   ?  0.000000 19.17508 
1 1 1   10   20    3 o  124.900   13.520  198.504   41.495  202.047   53.973  193.382   64.890  125.196   17.762  121.414   22.221 3.781677 28.44755 
1 1 1   10   20    4 o  375.297   18.432  1782.19  172.742  1693.84  241.563  1874.65  247.121  362.275   26.894  381.570   26.091 -19.29446 37.47045 
1 1 1   10   20    5 o  363.448   17.918  1669.32  162.628  1566.64  227.507  1776.61  232.556  348.776   26.315  371.992   25.183 -23.21564 36.42368 
1 1 1   10   20    6 f  183.824   13.143  426.694   59.936  393.164   81.492  466.203   88.461  175.336   18.911  191.125   18.777 -15.78966 26.64992 
1 1 1   10   20    7 o  442.051   30.733  2532.22  337.143   0.0000   0.0000  2532.22  337.143  ?   ?   442.051   30.733 0.000000 30.73264 
1 1 1   10   20    8 o  207.517   13.179  543.061   67.940  455.109   92.412  646.516  100.226  188.620   19.921  225.608   17.938 -36.98811 26.80712 
1 1 1   10   20    9 o  160.725   12.801  326.372   50.953  291.345   68.260  370.447   76.570  150.782   18.518  170.331   18.288 -19.54910 26.02625 
1 1 1   10   20   10 f  416.221   20.346  2193.56  211.470  2350.99  297.800  2033.42  300.345  427.386   28.059  396.221   30.592 31.16470 41.51121 
1 1 1   10   20   11 o  229.036   14.312  662.074   81.446  686.563  112.532  635.133  118.029  232.183   19.592  222.809   21.479 9.373688 29.07211 
1 1 1   10   20   12 o  192.581   18.521  472.709   87.969  472.709   87.969   0.0000   0.0000  192.581   18.521  ?   ?  0.000000 18.52069 
1 1 1   10   20   13 o  241.318   11.761  730.647   70.875  766.091   85.665  653.741  126.186  246.469   13.976  225.709   22.695 20.75912 26.65345 
1 1 1   10   20   14 f  431.004   16.891  2343.35  181.794  2424.36  221.978  2178.34  316.810  437.392   20.323  409.476   31.218 27.91568 37.25029 
1 1 1   10   20   15 o  350.736   14.564  1548.14  127.562  1618.49  155.477  1403.25  223.124  358.018   17.390  329.627   27.354 28.39160 32.41370 
1 1 1   10   20   16 o  372.669   14.245  1747.74  132.567  1598.69  161.187  2059.31  233.047  355.089   18.239  401.247   23.360 -46.15836 29.63687 
1 1 1   10   20   17 o  246.809   15.379  770.752   94.316  955.165  131.525  575.537  135.322  273.859   19.357  210.259   26.352 63.60013 32.69704 
1 1 1   10   20   18 o  288.563   12.876  1047.00   92.781  1102.27  112.815  931.482  163.092  295.261   15.354  268.677   24.580 26.58356 28.98164 
1 1 1   10   20   19 o  283.516   11.705  1009.74   82.874  888.528  100.150  1273.04  147.601  264.983   15.198  316.311   18.770 -51.32758 24.15199 
1 1 1   10   20   20 o  444.477   17.148  2500.43  190.332  2501.79  232.463  2497.66  331.514  443.104   21.009  436.934   30.576 6.170349 37.09796 
1 1 1   10   20   21 o  298.416   23.221  1147.20  171.680   0.0000   0.0000  1147.20  171.680  ?   ?   298.416   23.221 0.000000 23.22087 
1 1 1   10   20   22 o   87.942   16.913  101.130   35.793  101.130   35.793   0.0000   0.0000   87.942   16.913  ?   ?  0.000000 16.91294 
1 1 1   10   20   23 o  226.566   11.521  646.932   64.966  732.308   78.968  468.146  114.275  240.754   13.185  189.218   24.780 51.53630 28.06947 
1 1 1   10   20   24 o  462.259   17.692  2711.93  204.227  2760.29  250.016  2614.96  354.044  464.546   21.552  444.788   32.091 19.75882 38.65625 
1 1 1   10   20   25 o  400.154   15.623  2025.44  156.114  2104.49  191.294  1867.81  270.134  406.698   18.836  377.472   28.877 29.22607 34.47683 
1 1 1   10   20   26 o  307.932   12.433  1193.91   95.602  1244.19  117.073  1093.29  165.631  313.766   14.942  290.921   22.986 22.84543 27.41571 
1 1 1   10   20   38 o  139.879   18.271  257.335   62.295  257.335   62.295   0.0000   0.0000  139.879   18.271  ?   ?  0.000000 18.27069 
1 1 1   10   20   39 o   98.274   11.129  124.035   26.830  120.912   38.549  126.968   37.366   95.394   16.796   98.134   15.783 -2.740234 23.04768 
1 1 1   10   20   40 o  281.411   15.671  1028.29  109.687  1050.56  159.118  1008.13  151.411  278.325   23.103  273.278   22.384 5.047516 32.16754 
1 1 1   10   20   41 o  166.327   17.641  367.065   72.154   0.0000   0.0000  367.065   72.154  ?   ?   166.327   17.641 0.000000 17.64113 
1 1 1   10   21    0 o  483.201   22.940  3007.35  276.800  2970.70  388.706  3045.05  394.262  471.459   33.229  477.289   33.287 -5.829803 47.03406 
1 1 1   10   21    1 o  218.073   14.421  603.278   78.090  639.913  106.632  560.906  114.678  223.264   19.316  207.910   22.444 15.35379 29.61141 
1 1 1   10   21    2 o  151.661   13.664  292.322   51.192  338.561   68.212  232.695   77.459  162.563   17.057  132.542   24.298 30.02066 29.68756 
1 1 1   10   21    3 o  250.740   20.842  807.304  129.320  807.304  129.320   0.0000   0.0000  250.740   20.842  ?   ?  0.000000 20.84228 
1 1 1   10   21    4 o  208.472   13.959  550.090   72.252  559.048   98.608  539.705  106.169  208.954   19.109  204.731   21.067 4.222702 28.44294 
1 1 1   10   21    5 o  188.894   13.916  451.828   65.178  507.251   88.661  386.654   96.143  199.307   18.008  172.525   22.881 26.78249 29.11735 
1 1 1   10   21    6 o  293.314   16.125  1089.66  117.653  1100.08  163.708  1078.52  169.203  292.752   22.567  289.481   23.612 3.270386 32.66225 
1 1 1   10   21    7 o  164.276   12.547  341.153   51.081  266.816   68.176  436.295   77.128  143.777   19.491  185.070   16.874 -41.29335 25.78053 
1 1 1   10   21    8 o  247.789   21.586  787.029  132.236   0.0000   0.0000  787.029  132.236  ?   ?   247.789   21.586 0.000000 21.58625 
1 1 1   10   21    9 o  216.654   14.279  593.463   76.821  657.640  105.887  522.146  111.621  227.110   18.841  201.221   22.605 25.88969 29.42708 
1 1 1   10   21   10 o  191.413   13.387  462.990   63.584  458.552   86.373  468.242   93.947  189.468   18.491  191.125   19.980 -1.656967 27.22321 
1 1 1   10   21   11 o  215.188   14.092  585.244   75.307  621.299  103.435  544.574  109.854  220.694   18.952  205.816   21.701 14.87822 28.81190 
1 1 1   10   21   12 o  346.251   17.273  1515.08  149.352  1428.58  208.512  1606.23  214.028  333.082   25.257  353.642   24.385 -20.56015 35.10709 
1 1 1   10   21   13 o  197.544   18.593  498.344   90.641  498.344   90.641   0.0000   0.0000  197.544   18.593  ?   ?  0.000000 18.59296 
1 1 1   10   21   14 o  216.931   11.489  592.451   62.017  655.918   74.651  451.074  111.417  228.000   13.167  186.250   24.554 41.75052 27.86189 
1 1 1   10   21   15 o  156.274   10.444  307.705   40.523  334.707   47.955  240.280   75.780  162.809   11.877  135.377   23.254 27.43208 26.11137 
1 1 1   10   21   16 o   97.643   9.8992  120.772   23.804  104.802   26.844  179.537   51.494   90.522   12.185  117.761   18.090 -27.23861 21.81054 
1 1 1   10   21   17 o  549.353   20.697  3841.81  283.923  3967.72  347.148  3587.42  493.437  555.834   25.010  517.696   38.443 38.13770 45.86264 
1 1 1   10   21   18 o  111.557   12.417  158.411   34.004  145.994   43.097  178.889   55.347  106.178   16.814  117.137   19.615 -10.95992 25.83526 
1 1 1   10   21   19 o  297.052   12.695  1110.44   94.170  1072.82  114.118  1190.73  166.720  290.951   15.766  304.466   22.078 -13.51498 27.12915 
1 1 1   10   21   20 o  248.657   21.401  795.216  131.594   0.0000   0.0000  795.216  131.594  ?   ?   248.657   21.401 0.000000 21.40111 
1 1 1   10   21   21 o   81.871   10.591   85.556   21.145   96.515   23.658   42.041   47.144   86.942   11.154   63.029   23.015 23.91210 25.57581 
1 1 1   10   21   22 o  393.948   16.010  1964.05  157.501  2173.41  192.460  1539.56  274.051  413.428   18.642  340.379   32.642 73.04907 37.59019 
1 1 1   10   21   23 o   91.957   9.6617  107.265   21.855  110.085   24.898   97.795   45.619   92.971   10.933   85.797   21.372 7.173515 24.00604 
1 1 1   10   21   24 o  311.027   13.298  1219.58  103.283  1306.36  126.161  1043.24  179.848  321.288   15.725  282.923   25.737 38.36520 30.16071 
1 1 1   10   21   25 o  174.260   9.8932  382.429   42.874  397.146   52.241  352.068   75.034  177.264   11.870  165.387   18.484 11.87735 21.96745 
1 1 1   10   22    0 o  361.546   18.831  1676.47  169.430  1755.79  236.665  1593.07  242.670  365.653   26.090  346.741   28.272 18.91162 38.47071 
1 1 1   10   22    1 o  350.990   18.148  1575.58  158.517  1571.39  220.685  1580.05  227.840  346.449   25.691  346.898   26.502 -0.4481812 36.91065 
1 1 1   10   22    2 o  123.418   13.665  194.684   41.409  212.352   53.595  168.514   65.226  128.152   17.180  112.170   24.011 15.98218 29.52415 
1 1 1   10   22    3 o  146.243   13.365  272.069   48.270  281.836   63.234  258.429   74.724  147.929   17.454  140.291   22.058 7.637878 28.12794 
1 1 1   10   22    4 o  298.061   23.017  1148.99  169.993  1148.99  169.993   0.0000   0.0000  298.061   23.017  ?   ?  0.000000 23.01720 
1 1 1   10   22    5 o  303.988   16.056  1173.23  121.450  1087.86  168.183  1266.25  175.568  289.984   23.425  313.359   22.588 -23.37506 32.54136 
1 1 1   10   22    6 o  350.110   17.881  1560.15  155.813  1531.56  217.313  1590.39  223.524  343.531   25.514  349.973   25.757 -6.441589 36.25486 
1 1 1   10   22    7 o  266.298   15.424  899.082  102.132  923.145  141.136  872.627  147.982  268.049   21.259  259.928   23.037 8.121582 31.34753 
1 1 1   10   22    8 o  215.784   14.090  589.545   75.510  612.694  103.383  563.074  110.553  218.751   19.118  208.947   21.494 9.803833 28.76600 
1 1 1   10   22    9 o   76.610   23.105   75.957   47.879   0.0000   0.0000   75.957   47.879  ?   ?    76.610   23.105 0.000000 23.10451 
1 1 1   10   22   10 o  197.902   13.554  495.578   66.580  497.626   90.610  493.174   98.160  197.167   18.624  195.805   20.374 1.362000 27.60291 
1 1 1   10   22   11 o  296.948   16.783  1119.19  123.945  1275.92  172.930  953.625  177.737  315.295   22.103  270.644   26.644 44.65085 34.61858 
1 1 1   10   22   12 o  332.297   17.887  1403.59  147.879  1589.19  207.150  1210.70  211.174  351.330   23.751  304.575   28.081 46.75534 36.77834 
1 1 1   10   22   13 o  246.657   14.573  769.959   89.362  759.955  122.949  781.162  130.108  243.488   20.409  246.591   21.339 -3.103226 29.52775 
1 1 1   10   22   14 o  168.028   17.624  361.542   72.850  361.542   72.850   0.0000   0.0000  168.028   17.624  ?   ?  0.000000 17.62440 
1 1 1   10   22   15 o  221.555   12.338  619.344   67.992  436.067   91.461  845.753  101.655  183.999   20.240  258.208   15.842 -74.20906 25.70264 
1 1 1   10   22   16 o  178.131   10.312  399.607   45.674  391.819   53.959  419.286   85.778  176.053   12.352  180.601   19.319 -4.548691 22.93040 
1 1 1   10   22   17 o  192.054   10.814  464.734   51.650  501.117   61.529  377.928   95.040  199.172   12.433  170.303   22.931 28.86931 26.08431 
1 1 1   10   22   18 o  434.132   16.754  2387.70  181.632  2344.74  221.289  2476.40  317.966  428.593   20.676  434.744   29.462 -6.150940 35.99337 
1 1 1   10   22   19 o  141.629   12.919  254.718   45.190  274.411   59.629  228.148   69.264  146.276   16.619  131.906   21.788 14.37039 27.40321 
1 1 1   10   22   20 o  386.157   14.471  1883.05  139.545  1672.00  169.389  2328.82  246.174  362.017   18.802  425.081   23.279 -63.06354 29.92402 
1 1 1   10   22   21 o  426.759   16.492  2308.08  175.750  2256.36  213.944  2415.41  308.204  420.315   20.383  429.201   28.925 -8.886292 35.38515 
1 1 1   10   22   22 o  412.178   15.896  2151.23  163.615  2061.70  199.311  2336.21  286.505  401.944   19.857  423.085   27.263 -21.14078 33.72785 
1 1 1   10   22   23 o  118.567   15.723  180.954   45.406  180.954   45.406   0.0000   0.0000  118.567   15.723  ?   ?  0.000000 15.72346 
1 1 1   10   22   24 f  207.475   11.338  543.001   58.519  619.836   70.915  379.009  103.603  221.391   12.883  169.517   25.244 51.87431 28.34152 
1 1 1   10   22   25 o  165.367   9.8598  344.567   40.531  353.162   48.967  325.867   72.229  167.100   11.811  158.965   18.544 8.134842 21.98567 
1 1 1   10   23    0 o   88.183   16.016  101.921   33.970   99.261   42.034  106.931   57.678   86.197   19.926   89.062   24.942 -2.865349 31.92433 
1 1 1   10   23    1 o  297.941   17.164  1136.28  127.163  1331.68  177.139  928.518  182.659  319.985   22.308  263.757   28.168 56.22800 35.93159 
1 1 1   10   23    2 o  141.769   13.377  256.344   46.798  245.307   60.094  273.352   74.598  137.509   17.927  144.212   21.361 -6.703201 27.88638 
1 1 1   10   23    3 o  238.675   14.931  724.924   88.541  755.858  120.963  689.221  129.952  241.874   20.212  229.777   22.955 12.09724 30.58532 
1 1 1   10   23    4 o  299.170   16.994  1142.45  126.439  1282.04  175.862  993.074  181.916  314.433   22.547  274.369   26.897 40.06396 35.09715 
1 1 1   10   23    5 o  383.685   27.663  1936.64  263.269  1936.64  263.269   0.0000   0.0000  383.685   27.663  ?   ?  0.000000 27.66286 
1 1 1   10   23    6 o  188.341   13.613  450.234   63.594  455.419   85.354  443.765   95.344  188.180   18.399  184.920   21.021 3.260010 27.93540 
1 1 1   10   23    7 o  139.410   14.068  247.945   48.306  327.607   63.768  140.674   73.997  159.950   16.188  102.092   28.126 57.85824 32.45205 
1 1 1   10   23    8 o   96.680   14.249  120.527   33.369  133.615   41.700   97.226   55.641  101.264   17.099   85.680   24.669 15.58439 30.01592 
1 1 1   10   23    9 o  171.444   13.160  372.743   55.912  365.548   74.191  382.201   85.063  168.676   17.886  171.869   20.205 -3.193268 26.98466 
1 1 1   10   23   10 o  253.105   22.003  827.269  137.684   0.0000   0.0000  827.269  137.684  ?   ?   253.105   22.003 0.000000 22.00268 
1 1 1   10   23   11 o  234.124   14.781  695.355   85.971  762.371  118.388  620.586  125.049  243.772   19.614  218.558   23.270 25.21414 30.43337 
1 1 1   10   23   12 o  318.917   16.985  1293.60  134.781  1315.18  187.556  1270.55  193.817  318.838   23.726  312.741   25.027 6.096802 34.48604 
1 1 1   10   23   13 o  119.400   13.733  182.141   40.201  224.722   51.893  118.232   63.574  132.299   16.035   94.102   26.127 38.19738 30.65464 
1 1 1   10   23   14 o  542.546   25.722  3809.43  348.487  4058.91  491.114  3556.42  494.573  549.956   35.959  511.541   39.011 38.41495 53.05530 
1 1 1   10   23   15 o  359.955   26.054  1686.32  232.607  1686.32  232.607   0.0000   0.0000  359.955   26.054  ?   ?  0.000000 26.05378 
1 1 1   10   23   16 o  341.343   17.819  1484.43  151.361  1536.67  211.436  1429.51  216.777  344.164   24.767  331.021   26.445 13.14383 36.23211 
1 1 1   10   23   17 o  506.540   19.013  3269.08  240.497  3200.92  293.385  3408.70  419.902  498.565   23.565  505.880   33.428 -7.315063 40.89873 
1 1 1   10   23   18 o  129.844   10.001  212.939   32.178  219.255   36.941  193.072   65.515  131.553   11.356  120.811   22.546 10.74246 25.24419 
1 1 1   10   23   19 o   92.808   23.463  115.147   54.407   0.0000   0.0000  115.147   54.407  ?   ?    92.808   23.463 0.000000 23.46271 
1 1 1   10   23   20 o  157.377   11.465  313.218   44.746  313.218   44.746   0.0000   0.0000  157.377   11.465  ?   ?  0.000000 11.46469 
1 1 1   10   23   21 o  267.434   12.335  900.969   82.376  961.107   99.516  770.079  146.815  275.378   14.523  242.997   24.530 32.38135 28.50712 
1 1 1   10   23   22 o  268.861   11.921  910.137   80.035  911.616   96.468  906.869  143.363  268.179   14.458  264.961   21.863 3.218231 26.21086 
1 1 1   10   23   23 o  117.992   12.547  177.380   36.402  194.859   46.697  150.306   58.117  123.113   15.535  106.220   22.604 16.89240 27.42794 
1 1 1   10   23   24 o  379.232   14.311  1817.75  135.527  1675.22  164.904  2114.37  237.894  362.240   18.289  404.147   23.675 -41.90717 29.91651 
1 1 1   10   23   25 o  289.845   12.417  1058.70   89.877  1064.96  109.350  1045.67  157.790  289.665   15.170  284.318   22.406 5.347198 27.05812 
1 1 1   10   24    0 o  134.073   14.767  231.221   48.622  307.530   62.589  115.079   77.216  154.338   16.495   92.733   29.573 61.60547 33.86201 
1 1 1   10   24    1 o  188.354   14.509  453.196   67.719  536.772   90.903  348.980  101.510  203.881   18.041  160.976   26.149 42.90523 31.76888 
1 1 1   10   24    2 o  153.287   21.980  310.078   81.728   0.0000   0.0000  310.078   81.728  ?   ?   153.287   21.980 0.000000 21.97996 
1 1 1   10   24    3 o  221.571   13.835  624.355   76.164  556.462  101.997  709.928  114.511  207.070   19.973  234.181   19.766 -27.11049 28.10007 
1 1 1   10   24    4 o  103.812   14.544  139.209   36.668  161.205   45.700   99.456   61.437  111.241   16.990   86.486   26.192 24.75455 31.22034 
1 1 1   10   24    5 o  158.801   13.721  321.444   53.875  350.810   70.633  280.591   83.309  164.960   17.410  145.297   23.784 19.66299 29.47486 
1 1 1   10   24    6 o  149.186   17.526  287.519   64.047  287.519   64.047   0.0000   0.0000  149.186   17.526  ?   ?  0.000000 17.52552 
1 1 1   10   24    7 o  123.120   13.414  193.779   40.573  197.986   51.421  186.838   66.044  123.587   17.121  118.303   23.184 5.283569 28.82127 
1 1 1   10   24    8 o   96.200   14.146  119.485   32.967  120.907   40.397  116.648   57.043   96.017   17.492   93.129   24.279 2.887764 29.92416 
1 1 1   10   24    9 o  192.111   14.033  469.128   66.855  521.849   90.236  404.973   99.541  201.524   18.125  175.653   23.266 25.87064 29.49233 
1 1 1   10   24   10 f   86.014   14.045   95.875   29.126   71.694   34.881  151.571   52.936   73.559   18.890  107.064   20.547 -33.50557 27.91106 
1 1 1   10   24   11 o  212.786   20.992  586.185  110.092   0.0000   0.0000  586.185  110.092  ?   ?   212.786   20.992 0.000000 20.99226 
1 1 1   10   24   12 o   92.490   14.133  110.526   31.606  122.172   39.039   88.373   53.844   96.755   16.765   81.968   24.452 14.78700 29.64776 
1 1 1   10   24   13 o  200.478   14.015  510.317   69.723  551.701   94.256  460.310  103.612  207.276   18.401  187.859   22.536 19.41673 29.09447 
1 1 1   10   24   14 f  246.669   15.444  773.762   94.654  877.013  130.276  658.307  137.760  261.065   20.139  224.097   25.045 36.96841 32.13792 
1 1 1   10   24   15 o   85.224   14.043   94.115   28.846   88.315   34.374  107.924   53.040   81.856   17.355   89.821   23.409 -7.964706 29.14067 
1 1 1   10   24   16 o  224.437   19.416  647.941  107.746  647.941  107.746   0.0000   0.0000  224.437   19.416  ?   ?  0.000000 19.41586 
1 1 1   10   24   17 o  179.644   13.387  409.559   59.623  431.562   79.511  381.291   90.120  183.388   17.577  171.090   21.573 12.29819 27.82741 
1 1 1   10   24   18 o  194.400   20.610  489.143   98.524   0.0000   0.0000  489.143   98.524  ?   ?   194.400   20.610 0.000000 20.60961 
1 1 1   10   24   19 o  268.638   12.227  909.378   82.023  909.445   98.350  909.225  148.654  267.697   14.769  264.794   22.701 2.902710 27.08238 
1 1 1   10   24   20 o   74.290   14.884   72.264   26.649   80.050   31.434   52.368   50.249   77.969   16.651   67.539   23.872 10.43031 29.10571 
1 1 1   10   24   21 o  229.374   11.423  662.245   65.431  728.891   78.447  509.887  118.610  239.981   13.140  197.045   24.644 42.93625 27.92830 
1 1 1   10   24   22 o  241.903   11.070  736.225   66.871  681.418   79.806  865.398  122.519  231.831   13.849  259.705   19.024 -27.87329 23.53088 
1 1 1   10   24   23 o  140.854   9.7477  250.363   34.076  275.565   39.295  173.940   68.426  147.647   10.731  113.814   24.778 33.83253 27.00210 
1 1 1   10   24   24 o  102.978   15.261  137.114   38.058  137.114   38.058   0.0000   0.0000  102.978   15.261  ?   ?  0.000000 15.26147 
1 1 1   10   24   25 o  190.636   9.6601  457.573   45.837  554.044   62.836  347.854   67.012  209.355   12.070  164.726   16.513 44.62939 20.45423 
1 1 1   10   24   26 o  297.861   12.935  1119.46   96.216  1214.08  166.026  1071.61  118.063  306.549   21.831  290.081   16.365 16.46759 27.28383 
1 1 1   10   25    0 o  185.357   15.114  440.836   69.349  567.098   92.470  278.538  104.839  209.328   17.861  141.014   30.647 68.31480 35.47211 
1 1 1   10   25    1 o  198.238   14.502  502.524   71.291  550.774   95.033  440.423  107.812  206.035   18.674  181.635   24.385 24.39929 30.71385 
1 1 1   10   25    2 o  174.100   14.345  387.746   61.811  457.344   81.925  295.767   94.180  188.074   17.650  147.549   26.536 40.52536 31.87008 
1 1 1   10   25    3 o  209.684   21.880  576.671  112.879   0.0000   0.0000  576.671  112.879  ?   ?   209.684   21.880 0.000000 21.87957 
1 1 1   10   25    4 o  144.541   13.625  267.087   48.599  277.449   62.381  251.086   77.520  146.292   17.418  137.041   23.498 9.250916 29.24985 
1 1 1   10   25    5 o  275.321   16.710  970.956  114.343  1139.33  157.950  785.557  165.742  295.929   21.521  242.070   27.931 53.85873 35.26038 
1 1 1   10   25    6 o  138.249   13.631  244.336   46.446  260.197   59.426  219.440   74.455  141.787   17.131  127.817   24.213 13.96991 29.66082 
1 1 1   10   25    7 o  140.542   17.275  255.715   59.351  255.715   59.351   0.0000   0.0000  140.542   17.275  ?   ?  0.000000 17.27472 
1 1 1   10   25    8 o  230.473   15.071  677.134   86.259  750.184  117.337  591.232  127.241  240.946   19.673  211.709   24.522 29.23613 31.43805 
1 1 1   10   25    9 o  149.594   13.516  285.330   49.944  314.868   65.278  243.626   77.565  156.307   16.998  135.153   23.854 21.15373 29.29081 
1 1 1   10   25   10 o   74.055   15.661   72.210   28.057   86.924   33.290   36.124   52.132   81.159   16.972   62.379   23.905 18.77950 29.31734 
1 1 1   10   25   11 o  153.165   13.141  298.551   49.775  303.504   64.773  291.408   77.783  153.428   17.202  148.989   21.531 4.438995 27.55895 
1 1 1   10   25   12 o  116.713   22.956  181.803   64.522   0.0000   0.0000  181.803   64.522  ?   ?   116.713   22.956 0.000000 22.95592 
1 1 1   10   25   13 o  105.223   13.351  142.071   34.293  145.506   42.676  135.810   57.614  105.732   16.719  100.526   23.391 5.206154 28.75142 
1 1 1   10   25   14 o  281.339   15.712  1007.72  109.941  1004.55  151.311  1011.26  160.015  278.375   21.944  278.711   23.202 -0.3362427 31.93551 
1 1 1   10   25   15 o  148.775   13.243  281.735   48.686  299.580   62.953  255.178   76.798  152.594   16.799  138.889   22.944 13.70461 28.43634 
1 1 1   10   25   16 o  242.559   13.530  745.790   81.626  634.490  109.944  882.488  121.844  221.632   20.083  262.186   18.733 -40.55318 27.46380 
1 1 1   10   25   17 o   95.036   16.628  118.007   38.025  118.007   38.025   0.0000   0.0000   95.036   16.628  ?   ?  0.000000 16.62817 
1 1 1   10   25   18 o   95.991   12.843  118.297   30.014  106.170   35.561  148.331   55.963   90.079   16.414  105.499   21.957 -15.41991 27.41362 
1 1 1   10   25   19 o   93.584   10.230  111.389   23.517  135.506   25.876  -3.0961   56.378  103.337   10.159   53.526   23.107 49.81104 25.24182 
1 1 1   10   25   20 o  195.634   10.755  482.934   52.341  504.474   61.793  428.237   98.471  199.611   12.459  181.045   22.249 18.56552 25.49974 
1 1 1   10   25   21 o  147.396   13.352  276.612   48.611  304.589   63.171  235.993   76.118  153.926   16.702  133.234   23.749 20.69153 29.03421 
1 1 1   10   25   22 o  385.265   14.881  1880.29  143.171  1814.90  173.714  2018.79  252.807  377.055   18.449  392.767   25.921 -15.71228 31.81623 
1 1 1   10   25   23 o  321.059   13.269  1301.94  106.386  1316.39  128.649  1270.68  189.205  322.001   15.999  312.079   24.475 9.921906 29.24001 
1 1 1   10   25   24 o  290.202   10.433  1059.04   75.607  1028.49  103.912  1093.42  110.216  284.639   14.669  293.369   15.096 -8.729706 21.04900 
1 1 1   10   25   25 o  172.373   9.0276  373.982   38.724  431.133   52.292  304.586   57.623  184.691   11.394  154.319   15.148 30.37224 18.95470 
1 1 1   10   25   26 o   73.215   7.8583   67.966   14.143   58.838   17.664   84.268   23.606   67.559   10.837   80.906   12.052 -13.34789 16.20708 
1 1 1   10   26    0 o  176.275   15.196  399.746   66.239  493.004   86.003  263.762  103.852  194.845   17.875  136.476   31.158 58.36897 35.92117 
1 1 1   10   26    1 o   37.022   14.896   8.3742   21.115   8.0925   22.964   9.9153   53.711   38.127   15.466   55.004   23.103 -16.87695 27.80181 
1 1 1   10   26    2 o   56.017   17.064   40.547   26.021   49.805   29.378   6.8402   56.055   61.575   17.982   55.297   23.433 6.278870 29.53791 
1 1 1   10   26    3 o  221.388   15.265  627.954   83.875  716.977  113.047  518.932  125.102  234.822   19.453  196.337   26.167 38.48521 32.60632 
1 1 1   10   26    4 o  166.249   22.211  365.854   89.904   0.0000   0.0000  365.854   89.904  ?   ?   166.249   22.211 0.000000 22.21093 
1 1 1   10   26    5 o  182.603   14.168  426.063   64.098  470.608   84.910  367.049   97.732  190.656   18.049  165.722   24.341 24.93414 30.30298 
1 1 1   10   26    6 o  259.534   16.398  863.527  105.730  1021.20  145.197  685.552  154.264  280.105   20.909  225.518   27.995 54.58658 34.94093 
1 1 1   10   26    7 o  190.234   13.999  461.584   66.034  484.342   87.484  431.448  100.672  193.472   18.326  180.774   22.808 12.69745 29.25872 
1 1 1   10   26    8 o   41.070   15.243   16.749   20.817   30.499   22.865 -49.8441   50.320   49.636   16.120   41.079   19.291 8.557724 25.13912 
1 1 1   10   26    9 o  206.440   18.935  551.470   96.525  551.470   96.525   0.0000   0.0000  206.440   18.935  ?   ?  0.000000 18.93493 
1 1 1   10   26   10 o  159.639   13.926  325.350   54.960  374.524   71.820  255.861   85.376  170.462   17.103  137.691   25.777 32.77083 30.93499 
1 1 1   10   26   11 o   86.995   13.798   98.123   28.975   78.880   33.870  150.639   55.954   77.048   17.939  106.126   21.842 -29.07793 28.26422 
1 1 1   10   26   12 o  157.713   13.914  317.431   54.235  372.783   71.024  240.008   83.999  170.173   16.938  133.219   26.183 36.95370 31.18465 
1 1 1   10   26   13 o   76.398   25.147   73.988   55.575   0.0000   0.0000   73.988   55.575  ?   ?    76.398   25.147 0.000000 25.14655 
1 1 1   10   26   14 o  258.739   15.057  852.506   96.868  847.592  132.374  858.171  142.129  255.704   20.914  256.615   22.404 -0.9113922 30.64858 
1 1 1   10   26   15 o  179.100   13.425  407.925   59.605  413.959   78.311  399.615   91.900  179.236   17.729  174.814   21.505 4.421783 27.87087 
1 1 1   10   26   16 o  347.672   17.628  1546.62  152.546  1485.64  211.123  1613.23  220.658  336.462   25.313  350.641   25.372 -14.17984 35.83949 
1 1 1   10   26   17 o  195.765   14.194  487.809   68.918  534.294   91.726  427.549  104.436  203.709   18.224  180.079   23.808 23.62991 29.98216 
1 1 1   10   26   18 o  265.291   21.206  911.910  139.313  911.910  139.313   0.0000   0.0000  265.291   21.206  ?   ?  0.000000 21.20619 
1 1 1   10   26   19 o   66.524   14.289   58.140   23.030   55.305   25.699   69.702   51.890   64.714   15.994   74.248   24.292 -9.533981 29.08477 
1 1 1   10   26   20 o   87.309   10.093   97.107   21.600   83.819   23.299  178.363   57.615   80.691   11.922  116.219   20.607 -35.52893 23.80690 
1 1 1   10   26   21 o  119.945   9.4591  181.854   28.102  189.349   31.354  151.234   63.373  122.260   10.367  105.883   24.460 16.37741 26.56664 
1 1 1   10   26   22 o  274.233   15.558  957.648  106.102  960.300  145.770  954.659  154.734  272.176   21.625  270.667   23.114 1.508270 31.65326 
1 1 1   10   26   23 o  202.778   9.8807  516.872   50.033  606.537   66.790  402.212   75.529  218.934   12.266  176.862   17.324 42.07243 21.22639 
1 1 1   10   26   24 o  191.068   8.9449  458.346   42.679  499.880   56.491  403.115   65.143  198.874   11.423  177.751   14.811 21.12247 18.70405 
1 1 1   10   26   25 o   59.456   12.251   46.203   17.584   34.827   19.761   89.483   38.542   51.748   14.637   82.032   19.161 -30.28416 24.11207 
1 1 1   10   26   26 o  218.758   9.3446  601.155   51.048  607.543   70.614  594.163   73.882  218.932   12.974  216.301   13.750 2.631454 18.90429 
1 1 1   10   27    0 o   94.752   15.787  118.005   36.040  126.267   41.668   93.469   71.805   97.497   17.769   84.383   28.599 13.11388 33.67000 
1 1 1   10   27    1 o  135.588   17.627  240.689   58.271  240.689   58.271   0.0000   0.0000  135.588   17.627  ?   ?  0.000000 17.62673 
1 1 1   10   27    2 o  133.588   14.640  230.286   48.038  274.667   60.189  152.408   79.731  145.292   16.905  104.238   29.372 41.05408 33.88946 
1 1 1   10   27    3 o  303.223   18.792  1192.77  141.590  1582.70  196.358  770.412  204.357  346.444   22.825  231.642   36.539 114.8023 43.08242 
1 1 1   10   27    4 o   89.694   15.941  105.791   34.396  125.668   40.542   54.733   64.978   97.581   17.270   71.477   26.850 26.10411 31.92462 
1 1 1   10   27    5 o  178.399   22.366  421.753   97.448   0.0000   0.0000  421.753   97.448  ?   ?   178.399   22.366 0.000000 22.36551 
1 1 1   10   27    6 o  271.009   17.046  945.181  114.771  1148.32  157.885  717.560  167.129  296.297   21.484  228.933   29.953 67.36418 36.86107 
1 1 1   10   27    7 o   62.196   16.081   51.265   25.162   43.823   28.267   79.667   55.219   58.238   17.795   78.095   25.019 -19.85698 30.70204 
1 1 1   10   27    8 o  199.943   15.160  512.039   75.129  630.843  100.724  363.058  112.793  220.777   18.438  162.716   28.813 58.06021 34.20792 
1 1 1   10   27    9 o   90.985   15.571  108.306   34.107  140.605   40.549   30.171   63.067  103.803   16.169   64.214   25.776 39.58886 30.42820 
1 1 1   10   27   10 o  105.103   16.888  144.533   42.824  144.533   42.824   0.0000   0.0000  105.103   16.888  ?   ?  0.000000 16.88828 
1 1 1   10   27   11 o  149.143   14.542  285.144   53.472  369.756   69.452  161.986   83.792  169.390   16.634  108.136   29.985 61.25397 34.28925 
1 1 1   10   27   12 o  162.273   13.867  336.267   55.654  374.944   72.250  279.828   87.277  170.435   17.212  144.238   25.145 26.19655 30.47135 
1 1 1   10   27   13 o  249.227   15.547  793.499   96.277  860.398  131.001  714.924  141.973  257.434   20.549  232.467   24.841 24.96725 32.23893 
1 1 1   10   27   14 o  138.709   13.318  245.745   45.565  249.187   57.259  239.803   75.238  138.765   16.871  134.027   23.327 4.738022 28.78880 
1 1 1   10   27   15 o  127.509   12.868  207.632   40.413  194.897   49.850  232.047   69.026  122.550   16.726  132.400   21.624 -9.850502 27.33771 
1 1 1   10   27   16 o  340.172   26.525  1530.86  223.542   0.0000   0.0000  1530.86  223.542  ?   ?   340.172   26.525 0.000000 26.52509 
1 1 1   10   27   17 o  118.784   16.335  182.892   47.173  182.892   47.173   0.0000   0.0000  118.784   16.335  ?   ?  0.000000 16.33547 
1 1 1   10   27   18 o  106.965   14.093  147.380   36.729  170.551   44.178   95.513   66.095  114.775   15.835   85.500   27.371 29.27509 31.62125 
1 1 1   10   27   19 o  111.608   15.958  161.495   43.210  161.495   43.210   0.0000   0.0000  111.608   15.958  ?   ?  0.000000 15.95818 
1 1 1   10   27   20 o  143.094   12.895  260.830   45.584  257.000   56.969  267.644   75.996  141.157   16.472  142.363   22.093 -1.206329 27.55729 
1 1 1   10   27   21 o   89.659   9.4375  102.125   20.813   93.697   23.362  134.552   45.824   85.522   11.209  100.973   18.867 -15.45041 21.94549 
1 1 1   10   27   22 o  217.194   9.1291  592.605   49.514  555.866   64.594  644.947   77.100  209.461   12.404  225.308   13.769 -15.84718 18.53290 
1 1 1   10   27   23 o  148.938   9.1311  279.689   33.797  253.298   37.926  381.467   74.481  141.423   10.821  172.018   17.586 -30.59587 20.64874 
1 1 1   10   27   24 o  112.807   8.6662  160.690   24.226  160.606   29.177  160.876   43.472  112.482   10.509  111.375   16.098 1.106903 19.22426 
1 1 1   10   27   25 o   72.128   9.3676   66.453   16.474   76.157   18.918   36.000   33.514   77.176   10.055   55.835   19.515 21.34120 21.95288 
1 1 1   10   27   26 o  183.463   9.8717  424.504   45.060  420.610   54.651  432.772   79.633  182.166   12.082  183.286   17.615 -1.120804 21.36083 
1 1 1   10   27   27 o  321.919   11.440  1306.68   91.966  1272.72  129.153  1341.60  130.986  315.673   16.441  324.622   16.158 -8.949432 23.05183 
1 1 1   10   28    0 o   53.766   17.399   36.636   26.654   42.361   29.232   8.4060   64.910   57.344   18.186   58.837   25.084 -1.492424 30.98308 
1 1 1   10   28    1 o  160.465   15.291  333.103   60.531  409.895   76.698  206.282   98.565  177.211   17.563  119.214   32.304 57.99646 36.76990 
1 1 1   10   28    2 o  131.648   17.661  227.588   56.598  227.588   56.598   0.0000   0.0000  131.648   17.661  ?   ?  0.000000 17.66140 
1 1 1   10   28    3 o  263.046   17.734  897.409  115.810  1186.94  158.547  566.232  169.567  300.291   21.281  197.663   35.665 102.6279 41.53162 
1 1 1   10   28    4 o  183.982   15.914  436.985   72.393  612.211   95.975  205.704  110.263  217.116   17.860  119.023   34.860 98.09256 39.16922 
1 1 1   10   28    5 o  182.280   15.722  428.343   70.865  583.557   93.630  220.185  108.429  212.048   17.848  123.401   34.067 88.64698 38.45957 
1 1 1   10   28    6 o  234.219   17.082  708.445   99.224  1012.38  135.738  359.659  145.408  278.791   19.622  156.237   37.702 122.5541 42.50256 
1 1 1   10   28    7 o   51.870   22.429  -2.0415   53.287   0.0000   0.0000  -2.0415   53.287  ?   ?    51.870   22.429 0.000000 22.42851 
1 1 1   10   28    8 o  118.959   14.603  182.807   42.470  218.393   52.206  113.175   73.028  129.619   16.503   91.434   28.713 38.18449 33.11797 
1 1 1   10   28    9 o  109.290   15.286  155.129   40.577  207.669   49.662   49.612   70.379  126.507   16.084   71.604   27.687 54.90267 32.02011 
1 1 1   10   28   10 o  121.870   14.303  191.340   42.702  220.410   52.646  135.431   73.009  130.277   16.556   99.122   28.169 31.15510 32.67385 
1 1 1   10   28   11 o   78.482   17.385   81.927   33.174   81.927   33.174   0.0000   0.0000   78.482   17.385  ?   ?  0.000000 17.38499 
1 1 1   10   28   12 o   52.775   16.116   35.752   23.189   48.329   25.644 -20.6691   54.316   60.508   16.511   48.433   21.711 12.07516 27.27655 
1 1 1   10   28   13 o  140.535   14.008  253.126   48.505  286.654   60.929  195.105   80.152  148.881   16.675  119.012   27.519 29.86911 32.17661 
1 1 1   10   28   14 o  132.742   14.372  226.333   46.881  279.578   58.969  134.877   77.284  147.140   16.324   99.216   29.221 47.92473 33.47155 
1 1 1   10   28   15 o  250.880   23.071  826.759  142.920   0.0000   0.0000  826.759  142.920  ?   ?   250.880   23.071 0.000000 23.07117 
1 1 1   10   28   17 o  207.251   14.328  547.722   73.700  573.150   97.380  513.631  112.757  210.511   18.720  197.312   23.336 13.19904 29.91682 
1 1 1   10   28   18 o  245.082   16.011  768.483   97.451  885.641  132.163  628.895  144.262  261.264   20.420  216.651   27.269 44.61299 34.06708 
1 1 1   10   28   19 o   53.451   14.437   37.479   19.724   32.192   21.022   76.390   57.028   50.207   15.347   77.387   25.473 -27.17963 29.73899 
1 1 1   10   28   20 o   64.585   15.557   55.157   24.793   62.809   26.277  -6.9185   74.845   68.936   15.625   60.471   26.362 8.465256 30.64438 
1 1 1   10   28   21 o   26.511   10.793   3.3997   11.231   1.1050   11.665   32.543   41.570   25.616   10.763   57.206   21.479 -31.58969 24.02483 
1 1 1   10   28   22 o  193.241   9.1658  469.321   44.230  486.901   56.627  441.813   70.833  196.107   11.615  185.786   15.407 10.32106 19.29433 
1 1 1   10   28   23 o  192.012   9.2812  463.446   44.502  509.704   57.966  397.040   69.451  200.662   11.618  175.890   15.987 24.77167 19.76217 
1 1 1   10   28   24 o   99.034   9.0909  124.270   22.231  130.731   25.997  106.686   42.889  101.373   10.418   89.425   19.735 11.94783 22.31568 
1 1 1   10   28   25 o  182.457   8.2692  417.910   37.677  387.649   49.044  461.489   58.854  174.970   11.285  190.702   12.427 -15.73126 16.78585 
1 1 1   10   28   26 o   72.121   9.8843   66.641   17.333   80.495   20.960   36.672   30.828   79.200   10.886   55.260   18.739 23.94001 21.67163 
1 1 1   10   28   27 o   87.664   8.9510   97.561   19.320  109.536   24.789   79.031   30.836   92.592   10.932   77.309   16.476 15.28326 19.77306 
1 1 1   10   28   28 o   76.998   22.052   79.001   44.567   0.0000   0.0000   79.001   44.567  ?   ?    76.998   22.052 0.000000 22.05154 
1 1 1   10   29    0 o  115.590   15.992  175.656   44.924  220.193   53.470   68.761   82.836  129.253   16.976   78.201   30.094 51.05202 34.55238 
1 1 1   10   29    1 o  155.025   16.093  313.339   61.391  442.156   78.166  105.965   99.177  183.883   17.223   90.467   33.329 93.41634 37.51606 
1 1 1   10   29    2 o   76.158   17.013   77.834   31.540   85.056   35.554   51.158   68.329   79.374   18.310   70.581   27.284 8.792953 32.85882 
1 1 1   10   29    3 o  226.921   20.170  679.375  113.106  679.375  113.106   0.0000   0.0000  226.921   20.170  ?   ?  0.000000 20.17021 
1 1 1   10   29    4 o  151.260   15.617  296.703   58.141  392.396   73.288  134.219   95.499  173.544   17.135   98.309   32.984 75.23516 37.16927 
1 1 1   10   29    5 o   24.035   11.230 -15.9667   16.697 -19.0847   17.373   21.750   60.425   23.829   11.235   60.504   24.878 -36.67492 27.29751 
1 1 1   10   29    6 o   97.198   15.547  123.859   36.464  143.734   42.765   70.933   69.788  104.430   16.982   77.092   28.025 27.33820 32.76877 
1 1 1   10   29    7 o   95.138   14.959  118.299   34.367  119.312   39.897  115.384   67.657   94.842   17.490   91.559   27.432 3.283096 32.53327 
1 1 1   10   29    8 o   46.519   21.158 -28.2386   53.820   0.0000   0.0000 -28.2386   53.820  ?   ?    46.519   21.158 0.000000 21.15836 
1 1 1   10   29    9 o  101.965   15.473  135.734   38.160  172.624   45.487   48.089   70.114  114.997   16.296   70.902   27.574 44.09469 32.02935 
1 1 1   10   29   10 o  185.128   14.440  439.237   66.229  479.187   86.026  381.101  103.774  192.018   18.156  167.815   25.572 24.20285 31.36152 
1 1 1   10   29   11 o  111.905   14.392  161.944   39.287  175.069   46.885  131.005   71.986  115.766   16.701   97.401   28.064 18.36492 32.65779 
1 1 1   10   29   12 o   80.640   17.272   86.488   33.733   86.488   33.733   0.0000   0.0000   80.640   17.272  ?   ?  0.000000 17.27185 
1 1 1   10   29   13 o  346.801   20.396  1564.61  175.858  1954.18  244.210  1145.01  253.449  383.324   25.660  284.194   36.561 99.12943 44.66700 
1 1 1   10   29   14 o  141.843   24.483  271.227   83.589   0.0000   0.0000  271.227   83.589  ?   ?   141.843   24.483 0.000000 24.48349 
1 1 1   10   29   15 o   45.474   15.418   24.597   20.868   34.774   22.305 -46.7998   59.080   52.004   15.789   46.099   21.401 5.904182 26.59504 
1 1 1   10   29   16 o  226.290   16.783  658.649   94.160  895.984  127.581  374.702  139.548  262.790   19.582  161.885   35.497 100.9054 40.54014 
1 1 1   10   29   17 o   71.729   26.186   58.026   61.021   0.0000   0.0000   58.026   61.021  ?   ?    71.729   26.186 0.000000 26.18565 
1 1 1   10   29   18 o   58.916   14.732   45.859   21.617   44.470   24.153   51.450   48.468   58.141   16.090   66.289   23.444 -8.148117 28.43431 
1 1 1   10   29   19 o   81.925   13.409   87.202   26.483   82.593   31.126   99.288   50.402   79.055   16.308   85.751   23.044 -6.696098 28.23066 
1 1 1   10   29   20 o   90.515   13.521  106.058   29.625  121.393   36.371   75.826   51.067   96.448   15.637   76.212   24.023 20.23646 28.66361 
1 1 1   10   29   21 o  163.841   12.503  341.500   50.767  273.545   60.222  508.406   94.380  145.358   16.906  197.819   19.354 -52.46094 25.69801 
1 1 1   10   29   22 o  100.211   11.692  128.492   28.709  107.404   35.445  168.711   48.949   90.441   16.294  113.458   17.868 -23.01771 24.18144 
1 1 1   10   29   23 o  102.322   9.4469  132.804   23.866  141.523   27.410  105.483   48.522  105.457   10.550   88.429   22.049 17.02848 24.44326 
1 1 1   10   29   24 o   80.783   13.895   85.044   27.020   97.018   34.396   65.746   43.666   85.765   16.660   71.110   22.182 14.65488 27.74208 
1 1 1   10   29   25 o  166.610   9.1960  350.138   38.112  381.647   49.561  304.542   59.619  173.485   11.505  153.804   15.745 19.68088 19.50050 
1 1 1   10   29   26 o   87.310   9.4431   97.010   20.261  102.455   24.633   85.621   35.624   89.409   11.284   80.143   18.214 9.265694 21.42577 
1 1 1   10   29   27 o   74.949   12.732   73.038   22.977   91.184   31.645   52.803   33.417   83.241   15.802   63.684   19.324 19.55629 24.96202 
1 1 1   10   29   28 o  136.645   8.0532  235.324   27.358  206.349   35.871  275.616   42.300  127.306   11.404  147.227   11.599 -19.92082 16.26661 
1 1 1   10   30    0 f  134.025   15.364  235.677   50.494  256.388   60.672  189.008   91.076  138.692   17.938  112.176   31.316 26.51593 36.09016 
1 1 1   10   30    1 o  179.341   16.412  421.318   72.685  577.945   94.157  190.333  114.343  209.180   18.207  111.415   36.035 97.76544 40.37350 
1 1 1   10   30    2 o   76.953   17.610   80.114   33.108  102.972   37.242  -6.0401   72.303   87.438   17.664   58.267   25.641 29.17049 31.13680 
1 1 1   10   30    3 o  106.538   15.610  149.243   40.298  168.715   47.023   95.397   78.195  112.816   17.239   84.784   29.799 28.03156 34.42580 
1 1 1   10   30    4 o   38.252   15.105   11.040   21.314   11.383   22.501   8.0404   66.520   39.144   15.500   59.202   25.321 -20.05760 29.68825 
1 1 1   10   30    5 o  135.768   17.570  242.631   58.173  242.631   58.173   0.0000   0.0000  135.768   17.570  ?   ?  0.000000 17.57042 
1 1 1   10   30    6 o   84.705   16.576   95.520   33.807  108.771   38.136   46.883   73.060   90.241   17.555   70.829   27.968 19.41230 33.02061 
1 1 1   10   30    7 o   98.584   16.046  127.959   38.143  161.593   44.632   36.869   73.450  110.851   16.637   68.544   27.711 42.30729 32.32127 
1 1 1   10   30    8 o  137.234   15.596  244.552   52.499  334.123   65.614   85.188   87.520  160.271   16.637   84.229   31.255 76.04214 35.40737 
1 1 1   10   30    9 o  100.938   27.624  142.721   71.657   0.0000   0.0000  142.721   71.657  ?   ?   100.938   27.624 0.000000 27.62430 
1 1 1   10   30   10 o  176.221   15.447  400.603   67.291  519.000   87.759  231.671  104.828  199.759   17.779  126.630   32.865 73.12903 37.36533 
1 1 1   10   30   11 o   51.421   16.227   33.626   23.296   38.107   25.192   7.1665   61.213   54.406   16.828   57.381   24.409 -2.975288 29.64790 
1 1 1   10   30   12 o  191.860   15.053  473.102   71.544  547.849   93.224  366.001  111.590  205.158   18.392  162.656   28.513 42.50209 33.92971 
1 1 1   10   30   14 o  160.722   16.385  334.296   64.840  490.658   83.197   92.388  103.483  194.650   17.296   89.492   33.826 105.1579 37.99197 
1 1 1   10   30   15 o   85.641   15.307   96.314   31.534  104.089   35.553   67.637   68.277   88.763   16.651   76.133   27.713 12.63077 32.33078 
1 1 1   10   30   16 o  102.110   13.501  134.643   33.582  145.634   41.154  112.741   58.095  105.565   16.123   90.821   24.881 14.74500 29.64779 
1 1 1   10   30   17 o   22.079   10.025  -7.1312   12.016  -7.4910   12.394  -1.5064   49.006   22.367   10.166   49.965   21.557 -27.59837 23.83359 
1 1 1   10   30   18 o   69.616   26.783   47.465   65.599   0.0000   0.0000   47.465   65.599  ?   ?    69.616   26.783 0.000000 26.78342 
1 1 1   10   30   19 o  126.175   12.183  203.321   37.910  197.008   48.871  212.861   60.074  123.105   16.298  127.000   19.571 -3.894875 25.46839 
1 1 1   10   30   20 o   98.052   14.167  124.644   33.682  162.526   42.337   59.324   55.594  111.838   15.583   70.734   25.099 41.10467 29.54245 
1 1 1   10   30   21 o  155.163   11.805  306.157   45.396  303.708   63.305  308.750   65.134  153.125   16.833  154.285   17.198 -1.159912 24.06537 
1 1 1   10   30   22 o  235.008   15.713  708.162   91.679  789.240  122.291  604.123  138.529  246.169   20.068  211.741   26.799 34.42821 33.48015 
1 1 1   10   30   23 o  116.445   12.577  173.675   35.991  204.296   48.571  136.389   53.597  125.547   15.845  100.509   21.968 25.03839 27.08597 
1 1 1   10   30   24 o  209.431   10.071  552.810   52.669  638.809   69.636  437.852   80.511  224.239   12.485  183.809   17.762 40.42998 21.71081 
1 1 1   10   30   25 o  154.493   15.213  307.243   57.930  386.765   72.785  169.809   95.686  172.865   17.085  109.836   32.559 63.02934 36.76881 
1 1 1   10   30   26 o   87.769   9.3056   98.048   20.084   87.543   24.058  122.206   36.485   82.326   12.060   96.652   15.652 -14.32680 19.75885 
1 1 1   10   30   27 o  140.536   8.6075  249.331   30.062  225.578   38.976  284.211   47.232  132.979   11.862  149.138   12.806 -16.15926 17.45587 
1 1 1   10   30   28 o   50.102   11.856   33.054   14.602   39.573   17.031   14.956   28.375   54.772   12.699   44.212   17.439 10.55981 21.57212 
1 1 1   10   30   29 o  108.209   10.198  149.126   27.232  150.599   40.566  147.918   36.741  107.383   15.583  106.820   14.120 0.5638733 21.02835 
1 1 1   10   31    0 o   41.394   15.925   16.130   23.189   16.122   24.534   16.195   71.016   42.084   16.326   61.030   26.134 -18.94609 30.81441 
1 1 1   10   31    1 f  181.618   16.099  434.850   72.259  540.963   92.297  266.822  116.143  200.993   18.600  129.361   35.072 71.63222 39.69881 
1 1 1   10   31    2 o   81.286   29.564   87.969   77.680   0.0000   0.0000   87.969   77.680  ?   ?    81.286   29.564 0.000000 29.56442 
1 1 1   10   31    3 o   91.651   16.133  112.145   35.575  115.782   40.240   99.132   76.117   92.467   18.075   84.792   29.423 7.675606 34.53121 
1 1 1   10   31    4 o  135.408   15.837  240.602   52.540  314.390   64.398   93.708   90.862  154.481   16.973   85.338   31.811 69.14239 36.05608 
1 1 1   10   31    5 o  154.891   15.583  312.957   59.457  393.008   74.271  170.114   99.213  172.844   17.446  106.961   33.448 65.88341 37.72411 
1 1 1   10   31    6 o  201.561   19.186  537.366   95.404  537.366   95.404   0.0000   0.0000  201.561   19.186  ?   ?  0.000000 19.18583 
1 1 1   10   31    7 o   31.790   13.590  -0.0037   19.145   8.0539   20.122 -76.9653   62.188   36.056   14.529   42.863   20.506 -6.806923 25.13181 
1 1 1   10   31    8 o   35.986   14.313   9.0868   19.266   4.8604   20.163   53.456   65.329   34.651   14.322   70.407   26.813 -35.75552 30.39866 
1 1 1   10   31    9 o   76.834   16.793   79.063   31.320   96.387   35.324   15.365   67.733   84.887   17.252   61.431   25.881 23.45599 31.10362 
1 1 1   10   31   10 o   73.095   27.074   61.645   65.607   0.0000   0.0000   61.645   65.607  ?   ?    73.095   27.074 0.000000 27.07356 
1 1 1   10   31   11 o  105.058   15.135  144.176   38.562  164.881   45.148   88.337   74.145  111.999   16.649   82.849   29.023 29.15009 33.45910 
1 1 1   10   31   12 o  124.707   13.792  200.679   42.232  228.967   53.343  153.168   69.132  132.438   16.486  104.672   26.440 27.76543 31.15885 
1 1 1   10   31   13 o   61.400   16.662   50.156   26.199   70.701   29.374 -29.7726   57.938   72.759   16.541   48.185   21.930 24.57350 27.46920 
1 1 1   10   31   14 o  127.132   17.043  211.573   52.743  329.397   64.207 -32.8970   92.487  159.321   16.371   62.023   28.021 97.29781 32.45265 
1 1 1   10   31   15 o  115.630   14.512  173.216   40.980  154.117   43.850  304.949  115.163  108.315   16.752  145.858   32.455 -37.54294 36.52324 
1 1 1   10   31   16 o   61.847   15.525   50.857   23.940   51.274   26.600   49.080   54.928   62.105   16.762   66.816   24.768 -4.711548 29.90641 
1 1 1   10   31   17 o  262.388   14.862  882.162   96.980  1142.15  154.530  713.227  124.565  294.968   21.119  232.458   21.710 62.50989 30.28743 
1 1 1   10   31   18 o  117.414   15.098  178.866   43.241  275.433   57.037   48.347   66.310  145.823   15.922   69.838   26.911 75.98498 31.26880 
1 1 1   10   31   19 o   96.890   29.192  129.997   76.460   0.0000   0.0000  129.997   76.460  ?   ?    96.890   29.192 0.000000 29.19221 
1 1 1   10   31   20 o  131.660   12.177  221.496   39.583  218.293   51.983  225.916   61.067  129.499   16.445  130.819   19.270 -1.319962 25.33370 
1 1 1   10   31   21 o  205.834   13.662  541.291   69.827  701.513  108.572  428.271   91.187  232.161   18.891  180.319   20.622 51.84204 27.96656 
1 1 1   10   31   22 o   47.596   14.481   29.073   18.747   27.013   20.471   39.788   46.676   46.730   15.256   61.271   22.808 -14.54110 27.43987 
1 1 1   10   31   23 o   92.555   13.360  111.033   29.983   95.150   33.909  167.956   64.195   84.733   16.620  110.878   23.890 -26.14507 29.10211 
1 1 1   10   31   24 o  116.737   11.622  174.182   33.429  158.226   44.128  195.672   51.211  109.879   16.600  122.209   17.261 -12.33012 23.94773 
1 1 1   10   31   25 o  158.417   9.9113  317.830   39.012  384.394   50.254  216.879   61.887  173.833   11.644  127.740   20.062 46.09247 23.19640 
1 1 1   10   31   26 o  213.105   15.034  583.769   79.490  619.351  103.444  532.463  124.218  217.591   19.236  198.150   25.710 19.44131 32.10927 
1 1 1   10   31   27 o   83.370   10.150   89.053   20.696  105.728   25.487   56.773   35.460   90.643   11.520   65.589   19.907 25.05415 22.99990 
1 1 1   10   31   28 o   98.160   9.1324  122.526   22.129  114.028   27.732  137.421   36.715   94.011   12.093  102.614   14.752 -8.603470 19.07539 
1 1 1   10   31   29 o   28.950   11.046   7.4148   11.101   10.551   12.243  -7.0833   26.321   32.013   11.723   34.818   15.389 -2.805347 19.34564 
1 1 1   10   32    0 o   48.325   22.728 -50.6899   70.290   0.0000   0.0000 -50.6899   70.290  ?   ?    48.325   22.728 0.000000 22.72752 
1 1 1   10   32    1 o   55.454   24.876  -9.7796   71.436   0.0000   0.0000  -9.7796   71.436  ?   ?    55.454   24.876 0.000000 24.87615 
1 1 1   10   32    2 o  113.303   30.582  200.390   88.542   0.0000   0.0000  200.390   88.542  ?   ?   113.303   30.582 0.000000 30.58238 
1 1 1   10   32    3 o   50.504   23.297 -36.4906   68.393   0.0000   0.0000 -36.4906   68.393  ?   ?    50.504   23.297 0.000000 23.29683 
1 1 1   10   32    4 o   61.817   26.333   17.554   71.423   0.0000   0.0000   17.554   71.423  ?   ?    61.817   26.333 0.000000 26.33283 
1 1 1   10   32    5 o  169.567   17.624  382.034   73.537  608.089   94.957   43.321  116.235  214.064   17.929   78.581   33.536 135.4829 38.02795 
1 1 1   10   32    6 o  161.334   16.986  343.761   67.406  527.459   86.655   62.300  107.263  199.824   17.543   80.627   33.149 119.1972 37.50468 
1 1 1   10   32    7 o   77.859   17.759   82.343   33.763   86.090   34.482  -4.7019  166.199   79.631   17.789   83.248   37.590 -3.616951 41.58706 
1 1 1   10   32    8 o   57.178   16.821   43.417   25.623   54.854   28.135 -12.1982   62.041   63.775   17.250   52.864   23.483 10.91088 29.13772 
1 1 1   10   32    9 o  110.810   14.927  160.787   40.255  192.425   48.770   93.151   71.307  120.766   16.611   83.115   28.499 37.65103 32.98647 
1 1 1   10   32   10 o  157.600   14.182  321.154   55.216  397.478   73.876  224.548   83.114  174.116   17.216  125.787   27.248 48.32904 32.23100 
1 1 1   10   32   11 o  142.800   15.584  265.719   54.672  346.401   67.915  117.173   92.153  162.656   16.970   92.533   32.359 70.12354 36.53881 
1 1 1   10   32   12 f  159.180   14.582  327.650   57.318  449.533   78.725  190.150   83.616  185.488   17.191  115.085   29.083 70.40308 33.78364 
1 1 1   10   32   13 o  161.748   17.549  342.942   69.745  342.942   69.745   0.0000   0.0000  161.748   17.549  ?   ?  0.000000 17.54867 
1 1 1   10   32   14 o  150.328   14.202  291.609   52.684  380.620   71.016  182.664   78.567  170.854   16.865  113.495   27.914 57.35944 32.61356 
1 1 1   10   32   15 f   85.167   14.888   95.501   30.510  102.867   35.226   73.379   61.045   87.968   16.645   75.935   26.349 12.03369 31.16626 
1 1 1   10   32   16 o  184.954   15.521  442.261   71.024  451.336   83.102  417.668  136.803  185.709   18.152  169.808   33.452 15.90062 38.05901 
1 1 1   10   32   17 f  119.714   14.145  185.519   41.469  234.794   52.966  107.467   66.662  134.209   16.127   88.388   27.381 45.82096 31.77692 
1 1 1   10   32   18 o  121.748   14.292  191.884   42.624  258.096   55.565   97.217   66.440  140.826   16.089   84.859   27.471 55.96710 31.83594 
1 1 1   10   32   19 o   50.396   15.490   32.703   21.381   39.714   23.254  -5.6386   54.379   54.987   15.982   51.310   22.416 3.677406 27.53014 
1 1 1   10   32   20 f   55.504   24.614 -14.2675   67.876   0.0000   0.0000 -14.2675   67.876  ?   ?    55.504   24.614 0.000000 24.61376 
1 1 1   10   32   21 o   94.964   14.231  117.593   32.709  143.247   40.373   68.595   55.797  104.481   15.982   73.520   25.209 30.96147 29.84856 
1 1 1   10   32   22 o  135.834   12.132  236.099   40.720  238.081   54.850  233.666   60.780  135.008   16.620  132.922   18.838 2.086227 25.12188 
1 1 1   10   32   23 o  143.708   12.016  264.000   42.726  269.969   59.271  257.543   61.648  143.773   16.827  139.920   18.066 3.852936 24.68825 
1 1 1   10   32   24 o  168.902   13.430  366.097   56.178  377.824   73.228  349.323   87.579  170.040   17.495  161.219   22.355 8.820816 28.38748 
1 1 1   10   32   25 o  143.299   12.633  263.369   44.743  364.120   67.243  183.322   59.937  167.318   16.301  116.342   21.420 50.97664 26.91688 
1 1 1   10   32   26 o   84.118   10.793   91.071   22.148  117.746   26.650   31.504   39.824   95.676   11.377   55.553   20.988 40.12265 23.87304 
1 1 1   10   32   27 o  159.138   13.804  326.555   54.314  311.305   65.833  359.059   96.115  153.918   17.435  161.749   24.569 -7.830429 30.12655 
1 1 1   10   32   28 o  343.233   12.702  1504.58  108.868  1575.43  151.303  1428.51  156.769  347.374   17.498  329.330   19.145 18.04364 25.93686 
1 1 1   10   32   29 o  134.853   12.093  233.755   40.289  362.638   62.756  143.386   52.549  166.933   15.222  102.122   21.296 64.81104 26.17649 
1 1 1   10   32   30 o   86.185   9.6736   95.245   20.460  101.961   24.150   78.165   38.514   88.845   11.129   75.393   20.093 13.45212 22.96893 
1 1 1   10   33    0 o   76.255   18.242   83.670   34.270   85.592   34.808   22.915  195.652   77.089   18.347   78.447   37.200 -1.358093 41.47836 
1 1 1   10   33    1 o   87.591   16.596  106.673   34.971  119.111   39.581   62.407   74.667   91.971   17.878   69.823   28.040 22.14804 33.25459 
1 1 1   10   33    2 o   51.255   16.839   34.851   24.925   35.312   26.751   31.813   68.633   51.844   17.457   62.037   26.089 -10.19331 31.39112 
1 1 1   10   33    3 o   51.838   17.133   35.322   25.788   52.801   27.965 -64.0228   66.669   61.655   17.403   45.161   21.502 16.49415 27.66185 
1 1 1   10   33    4 o   83.427   29.665  103.470   77.705   0.0000   0.0000  103.470   77.705  ?   ?    83.427   29.665 0.000000 29.66527 
1 1 1   10   33    5 o   47.797   16.455   28.316   23.784   30.120   25.599   16.931   64.311   49.292   17.065   58.643   24.984 -9.350365 30.25600 
1 1 1   10   33    6 o   72.689   16.598   72.254   29.466   72.470   32.644   71.304   68.470   72.394   18.104   74.177   27.622 -1.782799 33.02601 
1 1 1   10   33    7 o  198.349   15.696  517.568   77.111  731.580  110.025  310.963  108.104  233.316   19.050  142.979   31.158 90.33623 36.51999 
1 1 1   10   33    8 o   83.941   17.407   95.860   35.291  132.949   39.953 -35.8454   75.288   99.530   16.664   53.648   24.635 45.88142 29.74201 
1 1 1   10   33    9 o  145.745   14.314  277.054   51.422  320.009   65.555  208.352   82.906  155.326   17.189  119.089   28.296 36.23717 33.10817 
1 1 1   10   33   10 o  170.131   15.717  379.093   66.018  569.896   91.765  174.383   95.050  207.516   17.883  107.275   32.599 100.2407 37.18188 
1 1 1   10   33   11 o  105.853   15.244  147.718   39.133  176.230   47.001   83.290   70.653  115.168   16.840   79.474   28.284 35.69370 32.91798 
1 1 1   10   33   12 o  157.910   17.591  329.655   68.187  329.655   68.187   0.0000   0.0000  157.910   17.591  ?   ?  0.000000 17.59070 
1 1 1   10   33   13 o   55.229   24.561 -12.9065   68.050   0.0000   0.0000 -12.9065   68.050  ?   ?    55.229   24.561 0.000000 24.56102 
1 1 1   10   33   14 o   59.090   16.152   46.735   24.515   49.518   26.784   32.368   60.857   60.784   16.987   62.825   25.285 -2.041290 30.46126 
1 1 1   10   33   15 o   59.752   16.418   47.779   25.252   59.375   27.781  -7.3410   60.570   66.380   16.757   53.329   23.469 13.05123 28.83714 
1 1 1   10   33   16 o  126.608   14.866  208.881   46.106  294.967   60.297   87.688   71.543  150.124   16.348   81.573   28.513 68.55107 32.86683 
1 1 1   10   33   17 o  119.588   15.781  187.535   45.975  208.253   50.682   91.266  109.250  125.839   16.528   88.251   34.392 37.58813 38.15752 
1 1 1   10   33   18 o  111.877   15.085  163.747   41.070  234.459   52.393   51.045   66.145  133.860   15.990   69.730   26.876 64.12941 31.27296 
1 1 1   10   33   19 o  172.679   13.121  383.063   56.156  440.921   79.738  326.129   79.099  183.338   17.634  155.947   20.832 27.39139 27.29360 
1 1 1   10   33   20 o  112.410   13.942  164.201   38.297  195.754   48.359  111.124   62.720  122.077   16.268   89.079   26.349 32.99753 30.96666 
1 1 1   10   33   21 o  100.811   30.868  146.637   85.004   0.0000   0.0000  146.637   85.004  ?   ?   100.811   30.868 0.000000 30.86786 
1 1 1   10   33   22 o  211.976   13.452  577.200   70.838  707.813  110.446  485.919   92.331  231.542   19.277  191.423   19.591 40.11971 27.48476 
1 1 1   10   33   23 o   51.862   15.327   35.309   21.230   32.023   23.772   48.255   47.182   50.390   16.440   63.860   23.069 -13.47063 28.32778 
1 1 1   10   33   24 o   47.095   14.929   28.279   19.702   20.916   22.340   54.044   41.791   43.729   15.862   64.899   21.819 -21.17011 26.97579 
1 1 1   10   33   25 o   80.041   14.577   84.849   28.063   74.366   33.928  107.557   49.935   73.927   18.440   87.898   22.618 -13.97018 29.18229 
1 1 1   10   33   26 o  144.917   12.869  270.854   46.088  439.176   71.322  150.173   60.391  183.486   15.717  103.410   23.870 80.07619 28.57999 
1 1 1   10   33   27 o  246.899   11.295  776.747   69.641  952.578   95.156  573.946  102.194  271.586   14.079  207.059   20.014 64.52673 24.46979 
1 1 1   10   33   28 o  295.146   14.998  1131.37  110.179  1393.77  131.999  528.550  200.071  326.996   16.165  174.380   45.474 152.6159 48.26151 
1 1 1   10   33   29 o  345.888   13.086  1539.10  113.034  1639.69  157.102  1431.14  162.755  352.125   17.926  326.642   20.050 25.48331 26.89481 
1 1 1   10   33   30 o  205.375   14.717  550.414   74.975  667.435  103.073  418.923  109.260  223.425   18.644  171.115   26.420 52.31067 32.33648 
1 1 1   10   33   31 o  122.840   24.621  216.299   72.895   0.0000   0.0000  216.299   72.895  ?   ?   122.840   24.621 0.000000 24.62076 
1 1 1   10   34    0 o   37.283   14.827   12.585   20.670   16.293   21.546 -30.2121   73.199   39.502   15.307   49.549   23.268 -10.04678 27.85131 
1 1 1   10   34    1 o   39.453   15.471   15.158   22.213   16.106   22.370 -51.5411  187.674   39.981   15.568   69.367   33.771 -29.38579 37.18682 
1 1 1   10   34    2 o   60.230   17.503   51.941   27.894   62.675   30.209 -10.1260   72.643   65.837   17.903   53.527   24.437 12.30944 30.29293 
1 1 1   10   34    3 o   95.010   16.703  126.000   38.183  154.638   43.934   37.585   77.197  105.053   17.353   64.020   27.326 41.03358 32.37066 
1 1 1   10   34    4 o   81.362   16.823   92.586   33.051  100.270   37.043   62.590   73.189   84.059   18.176   69.659   27.836 14.40065 33.24503 
1 1 1   10   34    5 f  157.721   17.695  341.702   68.491  522.717   86.884   44.577  111.314  195.024   18.045   73.161   32.014 121.8630 36.74952 
1 1 1   10   34    6 o  105.010   28.691  174.282   77.373   0.0000   0.0000  174.282   77.373  ?   ?   105.010   28.691 0.000000 28.69115 
1 1 1   10   34    7 o   71.406   17.139   70.808   30.173   85.853   33.735   10.635   67.466   78.561   17.629   57.823   25.119 20.73757 30.68815 
1 1 1   10   34    8 o  130.972   14.790  227.568   47.525  278.643   59.728  139.427   78.463  143.810   16.958   94.700   29.767 49.11034 34.25808 
1 1 1   10   34    9 o  104.723   15.639  146.948   39.644  180.790   47.286   66.889   72.731  115.763   16.852   73.236   28.195 42.52663 32.84697 
1 1 1   10   34   10 o  107.073   40.449  194.107  147.912   0.0000   0.0000  194.107  147.912  ?   ?   107.073   40.449 0.000000 40.44854 
1 1 1   10   34   11 o  158.049   17.834  335.093   69.155  335.093   69.155   0.0000   0.0000  158.049   17.834  ?   ?  0.000000 17.83377 
1 1 1   10   34   12 o   53.629   16.399   38.137   24.000   35.202   25.825   56.723   64.995   52.289   17.139   69.723   26.699 -17.43338 31.72631 
1 1 1   10   34   13 o  232.343   15.267  705.729   88.084  950.396  133.001  514.571  117.561  265.427   20.218  190.962   25.274 74.46442 32.36562 
1 1 1   10   34   14 o   49.877   23.065 -40.7900   67.651   0.0000   0.0000 -40.7900   67.651  ?   ?    49.877   23.065 0.000000 23.06460 
1 1 1   10   34   15 o  110.786   15.242  162.035   41.051  221.826   51.256   55.064   68.558  129.486   16.206   70.485   27.307 59.00137 31.75384 
1 1 1   10   34   16 o  123.290   14.521  199.013   43.848  254.601   55.963  110.621   70.569  138.779   16.470   87.888   28.297 50.89159 32.74104 
1 1 1   10   34   17 o  144.733   14.062  272.520   50.183  347.798   67.551  179.810   74.965  162.282   16.918  111.290   27.203 50.99184 32.03488 
1 1 1   10   34   18 o  145.039   14.401  274.101   51.471  257.061   58.496  332.536  108.324  139.204   17.193  150.638   29.852 -11.43439 34.44890 
1 1 1   10   34   19 o   64.794   16.081   56.729   25.897   67.757   29.078   14.427   56.951   70.704   16.730   56.427   23.750 14.27693 29.05064 
1 1 1   10   34   20 o  152.013   14.702  301.328   55.111  458.341   79.061  152.925   76.863  186.408   17.177  102.032   28.870 84.37582 33.59368 
1 1 1   10   34   21 o  149.310   13.422  288.812   49.510  354.746   68.854  218.225   71.242  163.857   17.078  124.887   23.711 38.96960 29.22122 
1 1 1   10   34   22 o   67.080   27.959   30.734   77.765   0.0000   0.0000   30.734   77.765  ?   ?    67.080   27.959 0.000000 27.95937 
1 1 1   10   34   23 o   50.224   15.557   32.892   21.520   35.075   24.330   25.045   46.126   52.052   16.600   55.136   22.075 -3.083958 27.62028 
1 1 1   10   34   24 o   60.530   16.123   49.507   24.807   69.947   29.819   3.5584   44.708   71.718   16.923   48.271   20.705 23.44706 26.74084 
1 1 1   10   34   25 o  128.287   13.250  214.001   41.835  329.054   61.331  113.889   57.210  158.172   15.736   89.146   24.796 69.02660 29.36832 
1 1 1   10   34   26 o  130.570   13.246  221.822   42.592  248.538   57.367  189.005   63.581  136.481   17.215  116.019   22.759 20.46123 28.53617 
1 1 1   10   34   27 o   81.207   14.267   87.781   27.876  167.621   40.475   15.735   38.448  112.696   14.735   48.745   19.921 63.95179 24.77824 
1 1 1   10   34   28 o  192.029   10.282  471.467   49.128  561.281   65.285  354.205   74.597  208.370   12.606  161.920   18.799 46.45004 22.63403 
1 1 1   10   34   29 f  275.056   12.210  974.325   83.868  1236.94  115.488  681.279  121.995  307.503   15.040  221.429   22.369 86.07346 26.95510 
1 1 1   10   34   30 o   63.689   11.940   53.792   18.292   63.379   20.723   19.966   38.924   69.108   12.467   50.071   20.197 19.03742 23.73451 
1 1 1   10   34   31 o   50.366   11.999   33.990   14.877   33.258   16.014   38.600   40.193   49.739   12.814   57.096   21.182 -7.356258 24.75632 
1 1 1   10   35    0 o   78.878   16.995   92.759   32.489   83.892   35.580  137.235   79.689   73.245   19.214   81.246   29.884 -8.000984 35.52762 
1 1 1   10   35    1 o   31.891   13.564   3.5253   18.897   7.6880   19.575 -53.4756   72.436   34.126   14.109   45.469   21.852 -11.34295 26.01152 
1 1 1   10   35    2 o   44.736   16.071   25.924   22.862   27.522   24.089   11.426   72.560   45.879   16.496   55.140   24.874 -9.261040 29.84623 
1 1 1   10   35    3 o   36.523   14.750   10.760   20.786   11.883   20.935 -67.2728  174.557   37.121   14.869   65.554   32.057 -28.43343 35.33696 
1 1 1   10   35    4 f   77.544   17.462   86.964   32.999  103.836   36.870   19.026   73.984   84.579   18.009   58.238   25.768 26.34089 31.43718 
1 1 1   10   35    5 o   60.337   16.970   52.005   26.640   48.581   28.777   72.516   70.442   58.342   17.976   70.233   27.548 -11.89094 32.89410 
1 1 1   10   35    6 o   82.170   16.417   94.689   32.508  102.032   36.654   67.631   70.361   84.546   17.918   69.663   27.466 14.88274 32.79332 
1 1 1   10   35    7 o   85.848   30.328  122.350   81.088   0.0000   0.0000  122.350   81.088  ?   ?    85.848   30.328 0.000000 30.32779 
1 1 1   10   35    8 o  119.558   15.785  194.441   45.976  254.020   56.583   78.677   78.872  135.996   17.035   74.691   29.190 61.30482 33.79747 
1 1 1   10   35    9 o   66.985   26.673   53.483   66.970   0.0000   0.0000   53.483   66.970  ?   ?    66.985   26.673 0.000000 26.67282 
1 1 1   10   35   10 o   41.304   15.628   17.692   22.101   17.692   22.101   0.0000   0.0000   41.304   15.628  ?   ?  0.000000 15.62761 
1 1 1   10   35   11 o   75.440   17.788   79.524   32.966   88.313   33.947 -66.0545  138.151   79.676   17.537   66.543   31.468 13.13286 36.02470 
1 1 1   10   35   12 o   93.095   14.601  116.126   32.827  107.278   37.478  145.282   68.036   88.095   17.651   97.627   27.000 -9.531837 32.25784 
1 1 1   10   35   13 o  155.835   15.165  322.107   58.266  445.017   78.959  175.157   86.336  181.588   17.635  105.078   30.867 76.51003 35.54956 
1 1 1   10   35   14 o   72.317   16.643   71.875   29.432   91.779   33.277   0.3684   63.073   81.846   16.843   54.594   23.989 27.25196 29.31129 
1 1 1   10   35   15 f   53.342   24.204 -20.9320   69.895   0.0000   0.0000 -20.9320   69.895  ?   ?    53.342   24.204 0.000000 24.20377 
1 1 1   10   35   16 o   52.664   16.106   36.947   23.151   41.607   25.106   10.464   59.847   55.609   16.722   55.769   23.939 -0.1596184 29.20071 
1 1 1   10   35   17 o  130.855   14.472  225.569   46.497  288.835   60.608  135.065   72.491  146.985   16.815   94.675   28.402 52.31010 33.00593 
1 1 1   10   35   18 o  170.543   15.136  383.016   63.791  581.287   93.002  206.860   87.662  208.170   18.070  116.142   30.010 92.02746 35.03044 
1 1 1   10   35   19 o  185.762   15.256  454.155   70.145  677.698  104.535  271.057   94.607  224.265   18.841  134.301   29.054 89.96361 34.62777 
1 1 1   10   35   20 f   83.004   14.549   92.047   29.057   81.637   33.505  123.633   58.363   76.993   17.785   92.138   24.812 -15.14518 30.52794 
1 1 1   10   35   21 o   79.085   16.481   85.130   31.492  123.221   37.539  -5.3622   57.860   95.627   16.305   51.673   22.829 43.95429 28.05385 
1 1 1   10   35   22 o   47.418   15.819   28.398   21.966   31.248   24.244   15.337   51.907   49.637   16.619   54.074   22.712 -4.436710 28.14300 
1 1 1   10   35   23 o   75.279   30.010   65.152   84.869   0.0000   0.0000   65.152   84.869  ?   ?    75.279   30.010 0.000000 30.01032 
1 1 1   10   35   24 o   87.416   14.442  101.933   30.426  114.790   38.871   81.594   48.889   91.584   17.636   75.786   23.444 15.79772 29.33660 
1 1 1   10   35   25 o   81.543   15.853   90.147   31.118  183.374   42.636 -16.1129   45.519  117.583   14.852   43.570   19.673 74.01242 24.64989 
1 1 1   10   35   26 o  192.172   12.986  480.572   61.953  709.877   99.543  335.598   79.150  230.131   17.451  155.475   20.917 74.65692 27.24113 
1 1 1   10   35   27 o   88.052   14.952  104.203   31.702  118.187   42.987   87.531   46.939   91.944   19.336   77.960   22.720 13.98351 29.83369 
1 1 1   10   35   28 o  153.145   12.422  305.515   47.096  431.020   73.709  218.927   61.223  179.262   16.656  125.207   20.274 54.05444 26.23878 
1 1 1   10   35   29 o  116.799   11.964  178.087   34.403  182.104   47.427  173.626   49.981  115.728   16.910  112.086   18.502 3.642242 25.06579 
1 1 1   10   35   30 o   54.565   12.492   40.126   16.655   38.629   18.344   47.150   39.728   53.332   13.701   60.032   21.226 -6.700459 25.26384 
1 1 1   10   35   31 f   80.001   15.187   87.238   29.230  115.628   38.107   46.659   45.559   91.368   17.336   60.843   22.556 30.52532 28.44835 
1 1 1   10   35   32 o   56.312   21.192   37.920   40.515   0.0000   0.0000   37.920   40.515  ?   ?    56.312   21.192 0.000000 21.19246 
1 1 1   10   36    0 o   71.703   30.547  126.536   96.129   0.0000   0.0000  126.536   96.129  ?   ?    71.703   30.547 0.000000 30.54700 
1 1 1   10   36    1 o   47.305   16.857   31.960   25.105   33.315   26.474   19.856   79.104   48.148   17.295   54.697   25.167 -6.548927 30.53654 
1 1 1   10   36    2 o   45.443   16.248   28.367   23.341   22.392   24.550   84.599   75.310   42.761   16.401   67.344   27.742 -24.58315 32.22730 
1 1 1   10   36    3 o   56.611   17.220   48.031   26.514   43.602   28.336   79.174   75.141   54.127   17.963   67.213   27.702 -13.08606 33.01626 
1 1 1   10   36    4 o   49.893   17.145   35.134   25.815   31.552   26.095  199.474  176.770   48.098   17.182   82.795   37.919 -34.69630 41.63052 
1 1 1   10   36    5 o   70.336   17.116   72.867   29.777   71.309   32.491   81.043   74.426   68.777   18.510   69.702   27.994 -0.9245453 33.55975 
1 1 1   10   36    6 o   55.278   17.059   44.050   25.905   46.319   27.853   29.511   70.508   56.488   17.732   58.588   25.562 -2.099884 31.11030 
1 1 1   10   36    7 o   86.857   16.545  107.417   34.575  118.453   39.178   68.562   73.511   90.340   17.999   68.334   27.688 22.00636 33.02407 
1 1 1   10   36    8 o   75.042   29.475   90.993   80.747   0.0000   0.0000   90.993   80.747  ?   ?    75.042   29.475 0.000000 29.47475 
1 1 1   10   36    9 o  115.927   17.894  190.312   50.135  190.312   50.135   0.0000   0.0000  115.927   17.894  ?   ?  0.000000 17.89427 
1 1 1   10   36   10 o  149.699   15.495  305.518   57.084  410.520   75.459  165.029   87.285  171.407   17.893   96.618   31.501 74.78935 36.22766 
1 1 1   10   36   11 o  109.414   15.238  163.203   40.504  190.844   48.601  100.351   73.286  117.238   17.104   79.491   28.746 37.74667 33.44969 
1 1 1   10   36   12 o   81.910   17.317   94.377   34.313   96.709   35.666   65.376  125.782   82.699   17.798   77.267   33.915 5.432480 38.30155 
1 1 1   10   36   13 o   76.420   16.423   81.314   30.407   91.937   34.118   40.303   67.037   80.917   17.402   63.313   26.138 17.60435 31.40078 
1 1 1   10   36   14 o  102.127   15.847  142.195   39.104  183.108   46.697   46.155   71.545  115.652   16.649   65.966   27.091 49.68554 31.79811 
1 1 1   10   36   15 o  219.434   15.479  644.114   84.275  911.497  128.057  439.833  111.931  255.368   20.247  169.878   27.311 85.49080 33.99734 
1 1 1   10   36   16 o  113.371   17.231  176.351   47.247  252.170   55.566 -21.5458   89.771  136.257   16.679   58.872   26.985 77.38494 31.72331 
1 1 1   10   36   17 o   66.394   25.931   53.119   62.209   0.0000   0.0000   53.119   62.209  ?   ?    66.394   25.931 0.000000 25.93071 
1 1 1   10   36   18 o   71.765   16.095   71.030   28.133   72.810   31.826   64.667   60.168   72.095   17.787   69.597   25.897 2.498833 31.41771 
1 1 1   10   36   19 o  116.409   14.640  180.872   41.617  226.488   52.721  105.447   67.793  129.242   16.728   83.349   27.790 45.89222 32.43612 
1 1 1   10   36   20 o   67.155   16.848   62.626   28.206   84.111   32.247  -7.3522   58.196   77.900   17.050   50.704   22.619 27.19635 28.32566 
1 1 1   10   36   21 o   93.659   14.811  117.999   33.488  118.917   40.085  115.879   60.929   92.549   17.993   87.512   25.990 5.037292 31.61032 
1 1 1   10   36   22 o  210.027   14.551  583.166   75.849  812.663  119.079  426.486   98.390  242.528   19.835  172.035   23.519 70.49336 30.76632 
1 1 1   10   36   23 o  187.241   13.621  460.941   63.254  578.450   96.104  371.131   84.017  205.206   18.969  162.245   21.248 42.96016 28.48312 
1 1 1   10   36   24 o   51.020   24.056 -57.1440   79.657   0.0000   0.0000 -57.1440   79.657  ?   ?    51.020   24.056 0.000000 24.05587 
1 1 1   10   36   25 o  120.643   13.522  192.645   40.037  265.774   57.894  125.611   55.429  139.835   16.924   91.783   23.935 48.05154 29.31430 
1 1 1   10   36   26 o   96.471   14.304  124.890   33.416  194.972   47.688   57.286   46.837  119.768   16.374   64.947   23.038 54.82175 28.26390 
1 1 1   10   36   27 o   63.159   16.719   55.628   26.782  102.191   37.962   9.4853   37.790   85.153   18.390   45.663   19.290 39.48978 26.65121 
1 1 1   10   36   28 o  111.883   13.629  166.683   37.293  238.716   55.200  106.196   50.583  131.948   17.159   84.284   23.269 47.66351 28.91100 
1 1 1   10   36   29 o  109.163   10.680  155.135   28.739  191.162   35.111   81.995   50.027  120.759   11.794   74.304   23.815 46.45484 26.57549 
1 1 1   10   36   30 o   99.465   15.357  134.773   36.916  132.924   40.112  145.010   94.379   97.869   17.031   92.039   32.697 5.829880 36.86699 
1 1 1   10   36   31 o  106.717   22.083  167.831   56.908   0.0000   0.0000  167.831   56.908  ?   ?   106.717   22.083 0.000000 22.08266 
1 1 1   10   36   32 o   72.441   25.530   78.187   57.427   0.0000   0.0000   78.187   57.427  ?   ?    72.441   25.530 0.000000 25.52979 
1 1 1   10   37    0 o   45.760   16.899   31.216   25.522   29.429   26.815   48.413   83.183   45.078   17.176   55.643   25.676 -10.56535 30.89140 
1 1 1   10   37    1 f   82.572   18.424  109.971   37.025  120.605   40.911   61.838   87.041   85.254   19.623   58.967   26.854 26.28691 33.25958 
1 1 1   10   37    2 o   66.690   28.545   99.740   84.657   0.0000   0.0000   99.740   84.657  ?   ?    66.690   28.545 0.000000 28.54502 
1 1 1   10   37    3 o   72.253   18.451   83.044   33.409  101.905   36.708  -7.9814   80.641   80.107   18.692   50.640   23.976 29.46611 30.40103 
1 1 1   10   37    4 o   29.845   13.070  -0.2177   18.587   4.4771   19.209 -69.2655   73.666   32.129   13.671   42.875   20.936 -10.74618 25.00412 
1 1 1   10   37    5 o   68.669   17.616   72.298   30.355   75.249   32.934   55.642   78.239   69.351   18.624   61.437   26.863 7.913712 32.68745 
1 1 1   10   37    6 o   91.381   17.179  123.928   37.762  139.559   42.522   65.609   82.134   96.007   18.406   64.503   27.868 31.50383 33.39801 
1 1 1   10   37    7 o   58.417   25.639   35.717   71.863   0.0000   0.0000   35.717   71.863  ?   ?    58.417   25.639 0.000000 25.63872 
1 1 1   10   37    8 o   33.595   14.026   6.2390   19.618   6.2390   19.618   0.0000   0.0000   33.595   14.026  ?   ?  0.000000 14.02631 
1 1 1   10   37    9 o   25.056   11.446  -8.5812   15.970 -14.9328   16.428  100.523   68.089   23.510   11.034   75.508   27.646 -51.99898 29.76692 
1 1 1   10   37   10 o   52.968   23.775   6.2582   65.362   0.0000   0.0000   6.2582   65.362  ?   ?    52.968   23.775 0.000000 23.77547 
1 1 1   10   37   11 o   82.039   16.405   95.981   32.435  105.285   36.655   62.405   69.629   85.116   17.817   66.347   26.925 18.76936 32.28599 
1 1 1   10   37   12 o  135.310   15.311  252.427   50.826  328.823   65.665  138.263   80.271  152.425   17.573   87.561   30.225 64.86427 34.96205 
1 1 1   10   37   13 o   92.419   16.552  120.364   36.796  157.462   43.193   22.197   70.262  105.712   16.934   58.367   25.490 47.34492 30.60246 
1 1 1   10   37   14 o  138.611   15.833  264.524   53.820  259.059   59.502  289.107  126.199  135.344   18.056  118.429   37.811 16.91412 41.90067 
1 1 1   10   37   15 o   89.736   15.640  111.650   33.772  113.920   38.958  104.785   67.750   89.234   18.102   80.182   27.762 9.052490 33.14232 
1 1 1   10   37   16 o   61.409   17.154   53.586   27.318   70.772   30.450 -17.3181   61.847   70.391   17.417   49.083   22.461 21.30892 28.42307 
1 1 1   10   37   17 o  118.653   15.027  191.434   43.527  247.365   55.486  101.944   70.186  133.609   17.017   79.759   28.211 53.85007 32.94605 
1 1 1   10   37   18 o   54.084   24.737 -15.4474   74.889   0.0000   0.0000 -15.4474   74.889  ?   ?    54.084   24.737 0.000000 24.73740 
1 1 1   10   37   19 o  115.013   14.530  178.677   40.801  210.521   51.337  124.072   67.226  123.239   17.146   87.640   27.553 35.59950 32.45271 
1 1 1   10   37   20 o  124.055   13.594  205.563   41.423  205.869   52.643  205.066   67.123  121.383   17.905  116.572   23.862 4.811546 29.83251 
1 1 1   10   37   21 o  122.289   14.410  201.301   43.161  254.210   57.032  130.383   66.029  135.599   17.232   90.204   27.117 45.39510 32.12854 
1 1 1   10   37   22 o  144.274   15.431  282.125   54.734  334.654   67.931  184.907   92.414  155.269   17.844  102.772   32.305 52.49670 36.90537 
1 1 1   10   37   23 o   52.921   17.468   37.842   26.809   69.277   31.524 -44.3008   50.959   69.661   17.995   40.338   19.087 29.32217 26.23210 
1 1 1   10   37   24 o   86.860   16.449  105.000   34.372  167.903   45.101   17.841   53.089  110.029   16.959   53.503   22.745 56.52593 28.37172 
1 1 1   10   37   25 o   73.613   30.348   71.875   90.207   0.0000   0.0000   71.875   90.207  ?   ?    73.613   30.348 0.000000 30.34777 
1 1 1   10   37   26 o   69.316   17.017   68.059   29.238  101.036   39.877   29.719   42.997   83.462   19.487   53.537   21.355 29.92483 28.90968 
1 1 1   10   37   27 o   71.103   16.806   71.479   29.368  128.096   41.836   16.478   41.235   94.916   18.314   48.725   20.338 46.19139 27.36898 
1 1 1   10   37   28 o   85.702   15.472  101.486   31.893   96.777   45.365  106.089   44.848   80.166   21.997   84.376   21.286 -4.209976 30.60974 
1 1 1   10   37   29 o   44.528   17.019   21.478   26.380   9.2242   35.899   35.863   38.895   44.176   18.739   54.377   20.694 -10.20048 27.91714 
1 1 1   10   37   30 o  113.979   20.505  189.434   56.216   0.0000   0.0000  189.434   56.216  ?   ?   113.979   20.505 0.000000 20.50451 
1 1 1   10   37   31 o   92.946   33.607  160.312  100.164   0.0000   0.0000  160.312  100.164  ?   ?    92.946   33.607 0.000000 33.60704 
1 1 1   10   38    0 o   50.751   18.263   44.887   29.533   45.819   29.845   0.9191  205.055   51.142   18.363   52.835   26.956 -1.693089 32.61688 
1 1 1   10   38    1 o  100.070   18.876  168.761   45.440  202.037   52.075   62.558   93.031  107.890   20.067   55.430   26.093 52.46016 32.91687 
1 1 1   10   38    2 o   79.106   18.400  103.898   35.662  102.767   38.973  109.717   88.407   76.526   20.126   63.897   28.225 12.62896 34.66544 
1 1 1   10   38    3 o   84.077   33.814  234.815  108.758   0.0000   0.0000  234.815  108.758  ?   ?    84.077   33.814 0.000000 33.81422 
1 1 1   10   38    4 o   39.652   15.664   18.692   22.929   20.382   24.000   1.0159   77.638   40.754   16.049   49.848   23.578 -9.094627 28.52217 
1 1 1   10   38    5 o   54.817   17.315   47.152   26.519   43.588   28.184   74.684   78.327   52.757   17.917   62.159   27.035 -9.402199 32.43309 
1 1 1   10   38    6 o   43.893   21.257 -49.1968   71.815   0.0000   0.0000 -49.1968   71.815  ?   ?    43.893   21.257 0.000000 21.25741 
1 1 1   10   38    7 o  132.230   19.254  272.725   61.710  272.725   61.710   0.0000   0.0000  132.230   19.254  ?   ?  0.000000 19.25372 
1 1 1   10   38    8 o   53.107   17.156   42.405   25.923   44.139   27.745   30.489   72.735   53.956   17.768   55.967   25.104 -2.011265 30.75586 
1 1 1   10   38    9 o   39.989   15.358   18.561   21.547   19.290   22.693   11.886   68.661   40.768   15.734   52.575   23.907 -11.80661 28.61991 
1 1 1   10   38   10 o   25.052   11.428  -7.8332   15.845 -10.1071   16.310   30.374   66.857   24.715   11.392   56.057   24.663 -31.34171 27.16723 
1 1 1   10   38   11 o   56.965   25.735   21.064   78.002   0.0000   0.0000   21.064   78.002  ?   ?    56.965   25.735 0.000000 25.73461 
1 1 1   10   38   12 o   37.851   14.982   13.908   21.013   15.172   22.192   2.9493   65.346   38.999   15.409   51.464   23.372 -12.46560 27.99418 
1 1 1   10   38   13 o   90.886   16.082  118.250   35.164  124.570   40.638   99.423   70.145   91.585   18.407   74.670   27.927 16.91566 33.44806 
1 1 1   10   38   14 o  101.054   15.479  143.832   37.816  158.289   44.887  108.481   70.192  104.212   17.893   77.882   28.137 26.32979 33.34484 
1 1 1   10   38   15 o   75.005   17.358   82.237   31.868   75.277   33.382  153.760  107.012   70.993   18.605   85.943   33.876 -14.94997 38.64849 
1 1 1   10   38   16 o   70.300   16.933   71.734   29.374   74.428   32.775   60.738   66.214   70.863   18.369   65.283   26.339 5.580032 32.11192 
1 1 1   10   38   17 o   92.779   16.396  122.066   36.599  156.868   43.889   42.621   66.311  104.684   17.400   61.123   25.672 43.56039 31.01266 
1 1 1   10   38   18 o   70.493   17.011   71.818   29.601   81.307   33.546   38.439   62.916   74.444   18.198   59.680   25.032 14.76413 30.94835 
1 1 1   10   38   19 o   82.771   31.549  124.964   90.495   0.0000   0.0000  124.964   90.495  ?   ?    82.771   31.549 0.000000 31.54932 
1 1 1   10   38   20 o   47.693   16.730   29.765   24.643   43.401   27.284 -30.6110   57.412   55.331   17.572   44.580   20.829 10.75148 27.25083 
1 1 1   10   38   21 o  148.760   13.412  297.786   49.286  312.850   67.292  280.352   72.390  147.776   18.650  136.598   21.966 11.17865 28.81590 
1 1 1   10   38   22 o   70.287   16.844   70.861   29.178   57.397   34.179  107.038   56.025   62.568   19.643   81.383   25.083 -18.81474 31.85900 
1 1 1   10   38   23 o   71.147   18.302   73.959   32.703   77.047   37.329   63.769   67.820   71.794   20.051   67.311   26.829 4.482323 33.49419 
1 1 1   10   38   24 o  170.655   14.285  394.565   60.315  567.907   91.512  261.428   80.200  199.767   18.556  127.754   26.023 72.01345 31.96141 
1 1 1   10   38   25 o  112.165   14.092  171.199   38.601  179.484   54.026  162.559   55.171  110.276   20.369  103.468   22.028 6.808548 30.00258 
1 1 1   10   38   26 o   90.730   16.306  115.850   35.587  142.568   49.952   88.312   50.712   97.386   21.146   74.882   23.975 22.50435 31.96815 
1 1 1   10   38   27 o   94.600   15.598  124.640   35.564  189.694   51.818   66.710   48.898  114.715   18.736   66.629   23.550 48.08552 30.09333 
1 1 1   10   38   28 o  126.907   13.906  218.336   43.349  273.318   64.555  173.183   58.501  137.415   19.348  106.171   22.750 31.24386 29.86462 
1 1 1   10   38   29 o   60.875   22.429   52.128   44.916   0.0000   0.0000   52.128   44.916  ?   ?    60.875   22.429 0.000000 22.42901 
1 1 1   10   38   30 o   88.224   24.158  124.253   54.785   0.0000   0.0000  124.253   54.785  ?   ?    88.224   24.158 0.000000 24.15832 
1 1 1   10   39    0 o   24.402   11.575 -14.1875   18.969 -11.6448   19.051 -308.2588  204.877   25.097   11.812   42.639   22.016 -17.54191 24.98474 
1 1 1   10   39    1 o   23.862   11.359 -16.0287   18.589 -16.8860   18.671   80.839  198.477   23.721   11.317   51.517   26.304 -27.79630 28.63524 
1 1 1   10   39    2 o   40.289   16.279   22.534   25.334   28.542   26.465 -43.2769   87.590   42.993   16.878   43.057   21.364 -0.6443024E-01 27.22655 
1 1 1   10   39    3 o   75.244   19.114   99.892   35.985  103.306   39.181   81.492   90.969   74.727   20.417   56.457   26.324 18.27001 33.31390 
1 1 1   10   39    4 o   28.554   13.124  -7.6772   21.433 -10.2220   22.017   38.422   93.709   28.237   13.093   52.950   25.288 -24.71268 28.47598 
1 1 1   10   39    5 o   45.370   17.146   30.801   26.584   27.840   28.167   54.934   80.411   44.286   17.404   55.562   25.494 -11.27581 30.86827 
1 1 1   10   39    6 o   34.454   14.653   7.8337   22.053   7.8337   22.053   0.0000   0.0000   34.454   14.653  ?   ?  0.000000 14.65342 
1 1 1   10   39    7 f   36.132   14.729   12.682   20.952   11.302   21.792   29.570   76.229   35.915   14.871   53.367   24.610 -17.45182 28.75379 
1 1 1   10   39    8 o   24.278   11.244 -10.1421   16.172  -8.0340   16.274 -176.9568  144.761   25.041   11.482   48.900   24.702 -23.85887 27.24004 
1 1 1   10   39    9 o   81.447   18.731  105.794   37.302  141.928   42.465 -16.2872   78.056   94.951   18.575   48.875   23.269 46.07530 29.77357 
1 1 1   10   39   10 o   89.645   17.646  123.380   38.097  139.807   43.401   68.228   79.525   94.046   19.131   62.323   27.171 31.72286 33.23075 
1 1 1   10   39   11 o   62.817   18.259   62.034   30.352   82.118   33.486 -30.4676   71.862   72.262   18.483   46.564   22.212 25.69816 28.89607 
1 1 1   10   39   12 o   50.443   23.841 -16.1318   79.094   0.0000   0.0000 -16.1318   79.094  ?   ?    50.443   23.841 0.000000 23.84061 
1 1 1   10   39   13 o   99.587   17.187  147.474   41.197  198.609   49.729   35.598   73.556  115.095   17.883   57.524   25.561 57.57092 31.19510 
1 1 1   10   39   14 o   87.716   17.468  115.018   36.918  149.564   43.138   20.457   71.371   99.869   17.957   54.892   24.724 44.97711 30.55696 
1 1 1   10   39   15 o   36.555   14.841   11.327   21.163   21.938   22.408 -76.3164   64.401   42.174   15.782   40.082   19.573 2.091518 25.14332 
1 1 1   10   39   16 o   95.318   16.748  132.508   38.409  119.264   41.121  223.106  107.552   88.346   19.188   97.462   34.874 -9.115173 39.80483 
1 1 1   10   39   17 o   63.147   17.887   60.028   29.489   75.312   32.775  -4.9336   67.570   70.430   18.424   50.633   23.283 19.79687 29.69107 
1 1 1   10   39   18 o   40.800   15.867   18.042   23.216   23.928   25.020 -18.4249   62.277   44.223   16.652   47.097   21.900 -2.874664 27.51175 
1 1 1   10   39   19 f   69.975   17.874   73.154   31.344   92.880   36.089   12.584   63.239   78.503   18.680   52.892   23.589 25.61102 30.08933 
1 1 1   10   39   20 f   60.804   27.408   27.515   87.910   0.0000   0.0000   27.515   87.910  ?   ?    60.804   27.408 0.000000 27.40813 
1 1 1   10   39   21 o   61.792   17.656   56.541   28.604   42.694   32.779  100.745   58.567   54.720   19.288   76.664   25.830 -21.94397 32.23649 
1 1 1   10   39   22 o   41.529   16.515   16.992   25.646   18.210   29.009   12.632   54.872   43.408   17.462   50.899   22.370 -7.490906 28.37801 
1 1 1   10   39   23 o  160.156   14.218  352.079   56.272  434.497   81.881  278.313   77.464  171.620   19.449  131.467   24.497 40.15244 31.27892 
1 1 1   10   39   24 o   55.943   19.065   45.139   31.909   46.045   37.623   42.818   60.230   56.862   20.591   59.439   24.676 -2.577507 32.13881 
1 1 1   10   39   25 o   70.827   19.079   75.570   34.501   79.554   46.847   70.847   51.002   70.584   23.081   67.038   24.013 3.545212 33.30661 
1 1 1   10   39   26 o  100.430   16.053  142.799   38.905  250.790   55.635   39.459   54.424  132.457   17.228   57.572   23.634 74.88577 29.24681 
1 1 1   10   39   27 o  109.824   15.732  169.559   41.911  293.685   61.854   64.194   56.988  142.957   17.705   65.088   24.982 77.86967 30.61995 
1 1 1   10   39   28 o   75.179   23.593   91.673   49.313   0.0000   0.0000   91.673   49.313  ?   ?    75.179   23.593 0.000000 23.59264 
1 1 1   10   39   29 o   72.643   23.936   85.798   50.346   0.0000   0.0000   85.798   50.346  ?   ?    72.643   23.936 0.000000 23.93566 
1 1 1   10   40    2 f   38.284   16.059   20.951   25.894   19.625   26.114   98.960  200.271   37.839   16.012   48.335   24.806 -10.49602 29.52519 
1 1 1   10   40    3 o   33.084   14.554   7.0985   23.279   2.8518   24.076   68.005   91.180   32.080   14.413   50.194   24.222 -18.11417 28.18561 
1 1 1   10   40    4 o   46.890   17.759   38.655   28.561   36.583   30.093   57.459   90.667   45.936   18.009   50.718   24.393 -4.782219 30.32094 
1 1 1   10   40    5 o   32.310   14.348   2.9870   23.141   2.9870   23.141   0.0000   0.0000   32.310   14.348  ?   ?  0.000000 14.34777 
1 1 1   10   40    6 o   47.764   23.053   8.6480   82.665   0.0000   0.0000   8.6480   82.665  ?   ?    47.764   23.053 0.000000 23.05289 
1 1 1   10   40    7 o   46.337   17.466   33.876   27.539   33.652   29.227   35.654   82.230   46.331   17.863   51.721   24.403 -5.390347 30.24215 
1 1 1   10   40    8 o   58.928   19.061   60.451   31.992   79.434   34.824 -42.2275   80.991   67.232   19.562   44.266   21.686 22.96598 29.20585 
1 1 1   10   40    9 o   58.315   18.363   57.047   29.846   63.553   32.211   17.560   79.355   60.925   19.059   50.954   24.020 9.971283 30.66298 
1 1 1   10   40   10 o   30.637   13.597  -0.8152   20.755  -1.0919   21.003   10.719  135.606   30.699   13.649   56.121   27.608 -25.42159 30.79735 
1 1 1   10   40   11 o   35.870   14.952   10.549   22.244   13.442   23.375 -17.1726   72.369   37.560   15.462   46.690   22.277 -9.130833 27.11746 
1 1 1   10   40   12 o   78.661   17.909   97.761   34.390  106.912   38.579   62.353   75.887   80.899   19.356   59.693   26.269 21.20592 32.62994 
1 1 1   10   40   13 o   24.824   11.622 -13.9063   18.033 -15.1210   18.653   3.4630   70.532   25.006   11.743   49.900   23.238 -24.89426 26.03647 
1 1 1   10   40   14 o   86.358   29.559  164.582   76.712   0.0000   0.0000  164.582   76.712  ?   ?    86.358   29.559 0.000000 29.55915 
1 1 1   10   40   15 o   43.144   16.430   23.782   24.529   32.051   26.276 -32.2870   68.422   47.487   17.206   45.289   21.623 2.198257 27.63363 
1 1 1   10   40   16 o   60.229   17.885   56.346   28.854   52.971   31.756   72.316   69.086   58.037   19.004   63.907   26.471 -5.870205 32.58630 
1 1 1   10   40   17 o   35.997   15.109   8.3792   22.945   12.726   24.417 -24.4484   67.101   38.461   15.815   46.396   21.938 -7.935066 27.04364 
1 1 1   10   40   18 o   76.650   19.006   91.871   36.200   94.593   38.978   74.796   97.628   76.876   20.083   66.128   29.413 10.74850 35.61525 
1 1 1   10   40   19 o   76.193   17.800   88.257   33.257   93.769   38.509   72.081   65.969   76.876   19.904   64.958   26.261 11.91778 32.95141 
1 1 1   10   40   20 o   61.574   18.428   58.351   30.544   65.086   35.002   36.846   62.543   64.186   19.833   56.497   24.364 7.689259 31.41598 
1 1 1   10   40   21 o   84.817   19.662  112.001   40.833  122.632   44.885   60.957   98.351   87.830   20.788   65.200   29.222 22.63022 35.86193 
1 1 1   10   40   22 o   88.634   17.719  117.273   37.847   96.700   46.935  155.524   63.996   75.990   22.866   93.008   26.352 -17.01807 34.88981 
1 1 1   10   40   23 o   76.220   18.640   88.801   35.185   94.600   44.152   78.709   58.244   76.014   22.001   67.819   25.432 8.195267 33.62766 
1 1 1   10   40   24 o   72.852   19.145   81.956   35.286   70.437   45.118  100.101   56.624   65.760   22.662   75.366   25.398 -9.605995 34.03828 
1 1 1   10   40   25 o   65.409   20.691   67.638   37.858   74.445   47.005   55.069   63.874   67.232   23.133   61.624   25.483 5.607750 34.41698 
1 1 1   10   40   26 o  132.104   14.848  245.099   48.134  296.311   68.933  196.367   67.243  138.923   20.485  106.974   25.527 31.94846 32.73041 
1 1 1   10   40   27 o   90.940   23.993  139.204   55.276   0.0000   0.0000  139.204   55.276  ?   ?    90.940   23.993 0.000000 23.99318 
1 1 1   10   40   28 o   69.075   31.079   75.976  112.434   0.0000   0.0000   75.976  112.434  ?   ?    69.075   31.079 0.000000 31.07928 
1 1 1   10   41    5 o   55.612   19.601   65.387   33.854   81.250   36.382 -36.9917   92.427   61.390   20.353   41.089   20.622 20.30120 28.97422 
1 1 1   10   41    6 o   53.695   18.562   55.974   30.281   45.813   32.249  131.711   88.042   48.672   18.764   57.758   26.566 -9.086224 32.52452 
1 1 1   10   41    7 o   60.318   28.344  167.503  108.939   0.0000   0.0000  167.503  108.939  ?   ?    60.318   28.344 0.000000 28.34423 
1 1 1   10   41    8 o   53.681   18.398   52.621   29.719   39.591   31.780  143.402   83.884   47.565   18.546   64.501   28.015 -16.93515 33.59732 
1 1 1   10   41    9 o   59.905   18.854   65.103   31.466   62.290   33.906   82.563   84.476   57.623   19.652   56.144   25.896 1.479073 32.50864 
1 1 1   10   41   10 o   39.306   15.975   19.302   24.553   12.231   25.805   86.916   79.802   37.002   15.797   58.328   26.219 -21.32604 30.61020 
1 1 1   10   41   11 o   31.845   14.095   1.5310   22.158  -0.8759   22.463   88.515  135.037   31.235   13.985   57.994   28.325 -26.75884 31.58912 
1 1 1   10   41   12 f   32.365   14.210   2.7136   22.092  -3.2587   23.080   68.064   76.346   31.012   14.005   57.362   25.726 -26.35029 29.29075 
1 1 1   10   41   13 o   31.986   14.101   1.4263   21.961   5.3180   23.012 -38.2690   73.494   33.918   14.702   43.627   21.216 -9.709507 25.81231 
1 1 1   10   41   14 o   42.597   16.776   23.777   26.225   38.535   28.122 -74.6897   72.638   49.559   17.822   40.435   19.952 9.123886 26.75260 
1 1 1   10   41   15 o   57.433   26.877   47.982   96.243   0.0000   0.0000   47.982   96.243  ?   ?    57.433   26.877 0.000000 26.87697 
1 1 1   10   41   16 o   27.664   12.862 -12.7796   21.470  -5.4324   22.550 -84.0269   70.221   30.468   13.794   39.502   19.515 -9.034517 23.89750 
1 1 1   10   41   17 o   50.177   17.954   38.417   28.505   44.169   31.330   10.766   68.696   52.901   18.834   50.204   23.225 2.696438 29.90178 
1 1 1   10   41   18 o   49.677   17.896   37.033   28.365   26.038   31.181   89.795   68.302   45.413   18.162   66.367   26.760 -20.95333 32.34083 
1 1 1   10   41   19 o   50.779   18.645   38.696   31.001   54.771   33.041 -79.5529   89.614   58.138   19.402   45.546   22.413 12.59130 29.64415 
1 1 1   10   41   20 o   31.342   14.268  -7.7603   24.547   9.1836   26.779 -96.8676   61.412   37.901   16.134   36.158   17.932 1.743080 24.12168 
1 1 1   10   41   21 o   96.897   17.394  142.577   40.542  126.651   49.844  173.712   69.693   85.232   22.921   93.163   27.826 -7.931152 36.05043 
1 1 1   10   41   22 o   81.072   18.651  103.146   36.972   67.758   45.706  170.140   62.887   62.827   22.704   95.890   25.728 -33.06223 34.31348 
1 1 1   10   41   23 o   46.884   21.587  -2.3476   58.339   0.0000   0.0000  -2.3476   58.339  ?   ?    46.884   21.587 0.000000 21.58714 
1 1 1   10   41   24 o   57.519   20.179   52.504   35.850   93.652   46.077 -10.6140   57.067   73.378   22.769   45.211   21.003 28.16660 30.97717 
1 1 1   10   41   25 o  114.365   17.127  195.203   47.408  216.144   67.260  174.527   66.833  110.743   24.923   96.031   26.833 14.71247 36.62188 
1 1 1   10   41   26 o   52.766   23.326   25.393   60.498   0.0000   0.0000   25.393   60.498  ?   ?    52.766   23.326 0.000000 23.32634 
1 1 1   10   41   27 o   61.334   23.996   62.950   53.341   0.0000   0.0000   62.950   53.341  ?   ?    61.334   23.996 0.000000 23.99567 
1 1 1   10   42    9 f   45.279   22.276   20.090   88.359   0.0000   0.0000   20.090   88.359  ?   ?    45.279   22.276 0.000000 22.27629 
1 1 1   10   42   10 o   70.958   19.947   98.409   36.816   99.508   40.426   93.067   89.132   68.783   21.325   53.506   25.295 15.27628 33.08434 
1 1 1   10   42   11 o   53.443   18.502   53.294   30.092   41.198   32.177  137.649   84.971   47.757   18.650   61.881   27.486 -14.12405 33.21570 
1 1 1   10   42   12 o   18.584   9.2644 -38.7614   17.277 -43.7009   17.629   81.145   86.857   18.166   9.1013   54.702   25.578 -36.53678 27.14907 
1 1 1   10   42   13 o   45.939   17.821   34.389   29.232   33.301   31.366   41.578   80.628   45.606   18.224   50.767   24.017 -5.160831 30.14850 
1 1 1   10   42   14 o   57.337   19.466   60.191   33.265   74.991   36.560 -10.9819   80.176   63.012   20.376   45.729   22.220 17.28372 30.14787 
1 1 1   10   42   15 o   38.971   16.388   16.112   27.079   6.1619   28.867   89.066   78.163   36.382   16.097   59.463   26.389 -23.08064 30.91094 
1 1 1   10   42   16 f   68.471   20.781   86.533   38.643   98.021   41.684   16.303  103.065   72.153   21.513   51.843   25.191 20.30990 33.12688 
1 1 1   10   42   17 o   36.712   15.980   8.0648   27.413   8.3850   29.708   6.2288   71.132   37.742   16.526   47.744   22.579 -10.00241 27.98060 
1 1 1   10   42   18 f   59.001   19.685   60.927   34.014   78.777   38.491  -2.6864   72.664   65.831   20.867   47.260   22.486 18.57171 30.67684 
1 1 1   10   42   19 o   81.176   19.934  112.675   40.113  139.146   47.650   48.281   74.319   88.154   21.774   55.077   24.978 33.07759 33.13646 
1 1 1   10   42   20 o   75.285   20.857   99.847   40.562   90.691   45.010  139.425   93.581   69.269   22.622   70.393   30.068 -1.123573 37.62763 
1 1 1   10   42   21 o   50.272   19.243   39.340   33.754   13.563   39.383  110.664   65.512   43.081   18.942   70.312   26.833 -27.23126 32.84556 
1 1 1   10   42   22 o   38.802   17.068   6.7959   32.006   15.049   37.707 -14.4785   60.538   43.098   18.751   44.025   20.823 -0.9277306 28.02116 
1 1 1   10   42   23 o   88.884   19.604  130.281   42.344  108.464   54.732  162.809   66.831   73.521   24.969   87.285   27.478 -13.76357 37.12766 
1 1 1   10   42   24 f   57.630   27.482   36.885  109.832   0.0000   0.0000   36.885  109.832  ?   ?    57.630   27.482 0.000000 27.48218 
1 1 1   10   42   25 o  105.423   27.540  225.213   73.296   0.0000   0.0000  225.213   73.296  ?   ?   105.423   27.540 0.000000 27.53954 
1 1 1   10   42   26 f   47.347   21.646   9.4243   57.245   0.0000   0.0000   9.4243   57.245  ?   ?    47.347   21.646 0.000000 21.64550 
1 1 1   10   43   16 f   45.162   18.075   34.048   30.912   31.863   33.625   45.977   78.557   44.536   18.459   49.766   23.591 -5.230167 29.95458 
1 1 1   10   43   17 o   45.148   18.254   32.997   31.879   39.706   35.086   1.2493   76.324   47.680   19.195   45.221   21.904 2.458622 29.12461 
1 1 1   10   43   18 o   56.810   25.699   85.945   78.091   0.0000   0.0000   85.945   78.091  ?   ?    56.810   25.699 0.000000 25.69909 
1 1 1   10   43   19 o   41.825   17.821   21.385   32.729   22.807   36.644   15.776   72.769   43.058   18.609   47.327   22.513 -4.268623 29.20850 
1 1 1   10   43   20 o   45.760   18.999   31.385   35.709   39.402   41.327   7.7645   70.940   48.743   20.355   46.489   22.147 2.253902 30.07971 
1 1 1   10   43   21 o   92.536   20.630  153.626   46.455  168.077   58.492  128.940   76.450   88.752   25.210   67.363   27.870 21.38892 37.57993 
1 1 1   10   43   22 o   54.146   20.613   53.810   38.602   37.877   47.114   86.349   67.329   49.239   21.191   60.171   25.598 -10.93144 33.23075 
1 1 1   10   43   23 o  118.946   18.310  233.193   52.643  187.993   71.105  288.017   78.311   87.596   28.425  115.086   27.604 -27.49055 39.62305 
1 1 1   10   43   24 o   46.936   22.024   10.316   65.379   0.0000   0.0000   10.316   65.379  ?   ?    46.936   22.024 0.000000 22.02433 
1 1 1   11  -31    0 o   51.959   22.834   22.450   57.161  127.648  113.973 -12.9035   66.071   74.353   32.469   47.993   22.397 26.35977 39.44411 
1 1 1   11  -31    1 o   54.477   24.192   29.901   65.793   0.0000   0.0000   29.901   65.793  ?   ?    54.477   24.192 0.000000 24.19210 
1 1 1   11  -30    0 o   50.000   22.686   0.1455   61.386   0.0000   0.0000   0.1455   61.386  ?   ?    50.000   22.686 0.000000 22.68570 
1 1 1   11  -30    1 o   58.979   27.649   4.5563  102.619   4.5563  102.619   0.0000   0.0000   58.979   27.649  ?   ?  0.000000 27.64904 
1 1 1   11  -30    2 f   61.063   24.649   57.780   58.025  -0.4441  106.906   82.096   69.086   58.181   27.563   67.797   27.061 -9.616913 38.62671 
1 1 1   11  -30    3 o   76.924   27.043  115.346   64.402  120.620  116.305  113.014   77.342   72.322   32.139   73.882   28.897 -1.559799 43.21948 
1 1 1   11  -29    0 o   48.645   17.273   30.955   26.334   10.529   30.392   92.487   52.750   41.581   17.417   75.946   24.467 -34.36536 30.03295 
1 1 1   11  -29    1 o   44.137   20.293 -16.2231   51.296 -75.2385   95.550   7.6721   60.800   51.029   24.666   52.010   23.167 -0.9807663 33.83996 
1 1 1   11  -29    2 o   43.988   20.251 -15.1786   51.313 -114.7599   96.968   23.553   60.474   47.517   23.369   54.654   23.762 -7.137115 33.32843 
1 1 1   11  -29    3 o   50.487   22.088   15.989   52.962  -7.7895   99.239   25.459   62.627   57.381   26.992   54.968   24.034 2.413120 36.14188 
1 1 1   11  -29    4 o   73.951   26.062   98.941   59.848   28.481  105.858  132.042   72.556   61.686   28.640   82.011   28.711 -20.32497 40.55341 
1 1 1   11  -29    5 o   47.398   21.569   1.4215   56.015  -6.0763  101.914   4.6670   67.052   56.214   26.713   50.886   23.323 5.328064 35.46184 
1 1 1   11  -28    0 o   63.288   18.795   57.140   31.865   61.139   34.307   32.010   85.990   65.215   19.533   65.282   28.359 -0.6720734E-01 34.43526 
1 1 1   11  -28    1 o   50.217   17.046   33.604   25.510   29.399   29.879   44.909   48.995   49.227   18.263   59.689   23.096 -10.46163 29.44398 
1 1 1   11  -28    2 o   86.132   14.916  102.732   30.920   88.595   37.845  131.114   53.621   77.282   19.585   91.592   23.368 -14.31038 30.49026 
1 1 1   11  -28    3 f   59.148   23.821   43.729   54.053 -27.5376   97.056   75.773   65.080   56.642   26.660   69.555   26.697 -12.91281 37.72901 
1 1 1   11  -28    4 o   52.396   22.390   22.447   51.933 -13.1760   93.987   38.104   62.308   56.837   26.586   58.587   24.760 -1.750423 36.33001 
1 1 1   11  -28    5 o   69.227   25.474   80.553   57.914   96.891  101.690   72.709   70.457   72.974   31.261   67.092   27.134 5.882217 41.39475 
1 1 1   11  -28    6 o   69.860   25.853   85.579   59.800  118.989  100.171   67.079   74.539   75.585   31.638   65.028   27.260 10.55658 41.76157 
1 1 1   11  -28    7 o   56.009   23.638   40.147   56.665   61.838   98.008   29.255   69.449   64.451   29.006   55.817   24.818 8.634029 38.17436 
1 1 1   11  -27    0 o   77.618   18.125   84.225   34.495   56.285   39.082  182.732   73.381   63.994   21.089  109.528   27.001 -45.53382 34.26067 
1 1 1   11  -27    1 o   82.042   15.194   91.703   29.982   66.381   37.035  139.865   51.076   68.229   20.263   98.340   21.406 -30.11069 29.47542 
1 1 1   11  -27    2 o   56.816   17.147   44.779   26.363   38.587   31.481   59.315   48.236   54.246   18.916   65.377   23.359 -11.13065 30.05802 
1 1 1   11  -27    3 f  126.017   12.305  210.072   38.227  169.451   48.630  275.771   61.844  109.349   18.467  140.302   18.072 -30.95255 25.83799 
1 1 1   11  -27    4 o   42.959   15.904   21.549   22.633   26.336   25.196   1.5473   51.506   46.247   16.835   48.480   21.473 -2.233540 27.28545 
1 1 1   11  -27    5 o   61.545   23.937   51.780   52.841 -17.2078   92.138   85.589   64.502   56.987   26.545   72.738   26.864 -15.75034 37.76651 
1 1 1   11  -27    6 o   71.170   25.030   82.822   55.176   88.342   91.314   79.649   69.247   72.821   30.320   70.064   27.360 2.756638 40.83953 
1 1 1   11  -27    7 o   50.234   22.030   13.715   52.968   75.066   89.515 -19.3391   65.705   68.844   29.407   48.178   22.433 20.66632 36.98652 
1 1 1   11  -27    8 o   65.360   24.891   70.410   56.297   44.685   95.512   84.106   69.690   63.131   28.502   69.178   27.315 -6.046883 39.47792 
1 1 1   11  -27    9 o   54.101   23.243   32.022   56.503   32.786   93.792   31.587   70.790   60.053   27.547   56.570   25.109 3.483486 37.27332 
1 1 1   11  -26    0 o  195.821   10.971  491.441   53.430  394.157   74.087  596.879   77.129  171.882   17.505  213.848   14.529 -41.96602 22.74920 
1 1 1   11  -26    1 o  128.041   12.273  213.044   38.762  212.052   51.937  214.291   58.238  125.562   17.001  125.012   19.275 0.5501251 25.70166 
1 1 1   11  -26    2 o   94.064   16.835  120.735   38.093   98.162   43.770  191.211   77.340   82.873   21.096  111.986   27.788 -29.11245 34.88860 
1 1 1   11  -26    3 o   53.994   16.996   39.305   25.569   45.949   30.462   23.462   47.043   58.085   18.580   53.780   22.013 4.305244 28.80634 
1 1 1   11  -26    4 f   24.008   11.431 -22.6626   18.854 -26.8710   20.839  -3.6681   44.271   24.780   11.859   45.084   19.941 -20.30363 23.20098 
1 1 1   11  -26    5 o  146.703   11.767  282.470   42.747  256.092   54.745  323.679   68.425  136.615   16.373  152.049   18.395 -15.43399 24.62635 
1 1 1   11  -26    6 o   41.369   15.623   18.798   22.063   1.8935   24.166  103.447   54.077   35.301   15.184   80.914   24.589 -45.61344 28.89914 
1 1 1   11  -26    7 o   42.518   19.568 -18.7670   47.858   48.452   82.130 -53.3262   58.889   65.401   28.058   41.863   20.008 23.53850 34.46080 
1 1 1   11  -26    8 o   56.867   23.104   38.948   51.335   74.139   83.902   17.892   64.902   69.651   29.037   55.047   24.256 14.60307 37.83543 
1 1 1   11  -26    9 o   53.752   22.693   28.954   52.254 -51.4338   83.319   81.073   67.089   49.352   23.643   69.494   26.987 -20.14185 35.87949 
1 1 1   11  -26   10 o   53.507   22.796   29.154   53.536   54.137   87.567   14.242   67.653   63.839   28.150   53.646   24.125 10.19236 37.07399 
1 1 1   11  -25    0 o  343.867   12.794  1513.46  109.864  1315.79  155.422  1710.87  155.319  314.713   19.879  362.064   17.179 -47.35056 26.27287 
1 1 1   11  -25    1 o  165.817   11.117  351.898   45.766  320.791   63.173  386.258   66.393  156.029   16.462  171.763   15.651 -15.73373 22.71444 
1 1 1   11  -25    2 o  118.039   12.231  180.527   35.528  177.702   47.111  184.253   54.100  115.283   16.863  116.293   19.306 -1.009430 25.63395 
1 1 1   11  -25    3 o   73.606   16.180   73.756   28.929   67.537   35.880   85.309   48.903   69.725   19.723   77.495   23.346 -7.770729 30.56191 
1 1 1   11  -25    4 o   41.660   16.696   13.195   26.411   1.8875   28.409   85.224   71.702   38.611   16.531   78.099   28.404 -39.48769 32.86455 
1 1 1   11  -25    5 o   22.022   10.595 -24.6225   17.139 -19.0252   18.518 -58.0401   45.248   24.677   11.624   35.844   17.238 -11.16679 20.79102 
1 1 1   11  -25    6 o   27.804   12.594  -9.0318   18.822  -1.9713   20.474 -47.5575   47.825   31.604   13.782   38.549   18.313 -6.945526 22.91949 
1 1 1   11  -25    7 o  158.979   11.414  330.339   45.011  244.924   56.983  472.062   73.401  132.737   17.627  186.428   15.919 -53.69087 23.75150 
1 1 1   11  -25    8 o   62.089   16.362   54.686   25.726   59.152   29.057   38.490   55.340   64.165   17.603   58.960   23.975 5.205193 29.74362 
1 1 1   11  -25    9 f   63.385   24.128   57.145   52.884   23.712   85.398   77.941   67.353   61.573   27.439   70.747   27.158 -9.173603 38.60670 
1 1 1   11  -25   10 o   42.732   19.728 -18.8150   49.199 -18.6005   81.095 -18.9400   61.890   53.376   24.877   47.555   22.015 5.820713 33.21944 
1 1 1   11  -25   11 o   70.486   25.184   83.288   56.066   29.091   88.912  119.064   72.239   61.015   27.528   80.096   28.590 -19.08067 39.68822 
1 1 1   11  -25   12 o   41.194   19.322 -25.9650   50.228 -60.6582   79.915  -3.3115   64.576   46.812   22.611   49.815   22.853 -3.003277 32.14882 
1 1 1   11  -24    0 o   83.047   23.718   94.830   51.629  223.410   87.035   25.020   64.130  125.433   28.442   62.435   25.646 62.99739 38.29671 
1 1 1   11  -24    1 o  167.089   11.138  355.918   46.205  358.788   65.038  352.992   65.655  166.030   15.880  164.545   16.188 1.485199 22.67673 
1 1 1   11  -24    2 o  207.425   11.053  548.292   57.044  513.556   79.762  584.660   81.615  198.421   16.240  212.175   15.511 -13.75351 22.45726 
1 1 1   11  -24    3 o   90.200   13.914  106.942   30.333  105.712   39.010  108.823   48.240   88.218   18.307   88.347   21.961 -0.1290512 28.59083 
1 1 1   11  -24    4 o   93.822   13.566  115.609   30.860  117.505   39.482  112.634   49.475   93.140   17.621   89.448   22.243 3.692123 28.37673 
1 1 1   11  -24    5 o  121.820   11.898  192.176   35.732  180.641   46.283  209.195   56.218  116.244   16.400  124.073   18.727 -7.828644 24.89317 
1 1 1   11  -24    6 o  298.066   11.724  1143.50   87.267  469.523  107.243  2464.48  150.139  181.321   24.296  435.052   13.820 -253.7308 27.95111 
1 1 1   11  -24    7 o   65.211   16.529   58.837   26.952   65.439   31.381   40.273   52.621   68.375   18.096   60.695   23.809 7.680618 29.90527 
1 1 1   11  -24    8 o   94.817   13.443  119.978   30.938  111.795   36.500  140.856   58.304   89.871   16.884   96.712   24.200 -6.840683 29.50791 
1 1 1   11  -24    9 o   52.093   16.475   37.019   24.003   44.046   27.036   10.866   52.159   56.282   17.438   51.472   22.223 4.809120 28.24800 
1 1 1   11  -24   10 o   52.888   21.344   28.530   43.493   75.022   78.751   8.1261   52.171   71.883   28.822   50.304   21.967 21.57971 36.23880 
1 1 1   11  -24   11 o   50.548   21.713   15.522   49.296   55.787   79.337  -9.8007   62.916   66.431   28.000   49.927   22.773 16.50378 36.09165 
1 1 1   11  -24   12 o   51.526   22.172   18.796   51.566 -27.9674   81.939   49.462   66.353   52.312   24.582   62.165   25.861 -9.853149 35.68035 
1 1 1   11  -24   13 o   59.710   23.616   50.554   52.174 -34.8952   79.978  113.860   68.840   50.252   23.816   78.905   27.936 -28.65328 36.71047 
1 1 1   11  -24   14 o   44.661   20.400  -7.0006   50.715 -73.7475   81.483   35.207   64.795   45.879   22.318   56.979   24.685 -11.09915 33.27776 
1 1 1   11  -23    0 o   67.489   16.190   60.738   26.934   36.983   37.259   86.739   38.981   57.092   20.516   80.162   19.630 -23.06937 28.39452 
1 1 1   11  -23    1 o  129.100   11.416  212.763   36.424  260.363   51.530  165.233   51.492  141.946   14.753  111.323   19.217 30.62302 24.22720 
1 1 1   11  -23    2 o   46.025   20.166  -6.5748   44.293 -56.8265   76.925   18.349   54.175   52.315   24.331   57.062   23.521 -4.747696 33.84085 
1 1 1   11  -23    3 o  143.297   11.430  262.328   40.560  282.316   55.971  240.226   58.857  147.362   15.439  134.879   17.918 12.48236 23.65219 
1 1 1   11  -23    4 o   81.983   15.100   89.124   29.774  149.390   38.435  -1.3115   47.083  106.811   14.808   48.530   21.033 58.28046 25.72327 
1 1 1   11  -23    5 o  100.869   12.881  132.274   31.705  120.841   40.457  150.473   51.043   94.718   17.757  104.975   20.205 -10.25731 26.89863 
1 1 1   11  -23    6 o  117.138   12.255  177.596   35.316  156.845   45.472  209.140   56.063  108.074   17.443  124.579   18.590 -16.50485 25.49203 
1 1 1   11  -23    7 o   62.428   16.772   53.139   26.704   35.623   31.217  100.926   51.563   53.779   18.832   83.970   23.606 -30.19047 30.19773 
1 1 1   11  -23    8 o   41.790   16.129   16.451   23.848   12.815   24.832   59.627   85.569   40.671   16.227   73.716   29.872 -33.04541 33.99439 
1 1 1   11  -23    9 o   69.815   15.896   67.037   27.092   60.565   31.216   86.790   54.534   65.803   18.321   77.019   24.884 -11.21578 30.90086 
1 1 1   11  -23   10 o   85.492   14.595   99.057   30.040   96.362   35.472  105.890   56.485   82.885   17.677   83.379   25.084 -0.4938583 30.68711 
1 1 1   11  -23   11 o   43.504   15.762   22.544   22.050   19.324   24.363   37.122   51.842   42.803   16.357   58.293   23.381 -15.48991 28.53404 
1 1 1   11  -23   12 o   80.306   24.431  101.959   53.362  137.892   83.712   77.364   69.257   88.198   30.842   71.545   27.522 16.65288 41.33566 
1 1 1   11  -23   13 o   45.714   20.444  -2.5516   47.861  -8.5600   76.461   1.3192   61.371   54.119   24.842   51.320   23.037 2.799187 33.87972 
1 1 1   11  -23   14 o   51.032   21.899   18.984   50.057   75.810   79.377 -18.5372   64.499   69.399   28.522   48.352   22.416 21.04729 36.27668 
1 1 1   11  -23   15 o   54.960   22.820   34.844   51.523   2.9526   83.564   54.403   65.442   55.902   25.774   62.176   25.759 -6.273865 36.43987 
1 1 1   11  -23   16 o   56.232   24.849   29.308   68.587   0.0000   0.0000   29.308   68.587  ?   ?    56.232   24.849 0.000000 24.84870 
1 1 1   11  -22    0 f  202.253   10.512  517.559   52.910  641.159   76.440  403.878   73.309  224.176   13.721  176.717   16.815 47.45840 21.70253 
1 1 1   11  -22    1 o  170.134   10.458  366.726   44.217  342.248   62.988  390.509   62.087  162.860   15.682  174.487   14.377 -11.62648 21.27485 
1 1 1   11  -22    2 o  203.229   10.780  523.420   54.512  598.341   77.953  451.722   76.259  216.061   14.533  186.874   16.511 29.18684 21.99579 
1 1 1   11  -22    3 o   93.183   12.687  112.267   28.754   89.747   38.532  140.568   43.196   81.568   19.230  103.108   17.395 -21.53946 25.93085 
1 1 1   11  -22    4 o  110.649   20.585  164.956   54.786  109.909   85.720  202.971   71.235   90.607   31.236  121.491   24.328 -30.88373 39.59227 
1 1 1   11  -22    5 f  187.848   10.792  448.574   50.412  444.546   69.497  453.047   73.237  185.421   15.141  186.897   15.841 -1.476105 21.91354 
1 1 1   11  -22    6 o   63.249   16.039   53.697   25.370   38.007   31.087   84.989   43.902   55.414   18.818   78.643   21.664 -23.22941 28.69535 
1 1 1   11  -22    7 o  211.451   11.472  571.284   60.348  633.885   83.196  501.769   87.670  220.921   15.172  194.759   18.239 26.16226 23.72446 
1 1 1   11  -22    8 o  146.310   11.000  274.401   39.894  253.223   51.802  305.270   62.541  138.899   15.182  151.867   16.771 -12.96828 22.62186 
1 1 1   11  -22    9 o   88.111   16.638  105.116   35.267   85.548   38.188  218.561   91.949   78.374   19.571  119.404   30.675 -41.02944 36.38625 
1 1 1   11  -22   10 o  152.770   16.416  312.051   61.642  371.116   73.035  165.775  114.935  165.704   17.936  100.491   36.042 65.21372 40.25816 
1 1 1   11  -22   11 o   31.403   13.483   0.2554   18.993 -10.3762   20.606   60.297   48.969   28.949   13.138   66.621   23.565 -37.67194 26.97963 
1 1 1   11  -22   12 o   51.668   16.280   36.090   23.454   38.948   25.988   23.543   54.455   53.596   17.163   55.790   23.337 -2.193302 28.96897 
1 1 1   11  -22   13 o  109.098   13.401  159.540   35.741  174.837   42.876  124.708   64.701  112.954   15.619   87.847   26.936 25.10690 31.13642 
1 1 1   11  -22   14 o   48.933   21.176   10.247   47.583 -23.4095   74.389   33.553   61.903   51.871   24.057   58.873   24.769 -7.001633 34.52865 
1 1 1   11  -22   15 o   57.738   23.195   40.959   51.113   86.240   80.382   10.222   66.227   72.806   29.145   54.267   24.175 18.53883 37.86617 
1 1 1   11  -22   16 o   50.519   21.864   16.551   50.732 -37.8426   79.777   53.484   65.737   50.223   23.798   62.680   25.880 -12.45695 35.15873 
1 1 1   11  -22   17 o   65.440   24.414   69.607   53.538  -1.6701   78.834  130.621   72.938   53.953   24.931   82.645   28.795 -28.69111 38.08822 
1 1 1   11  -21    0 o  178.273   13.643  405.547   60.275  409.827   84.362  401.083   86.150  177.323   19.366  175.137   20.060 2.185608 27.88286 
1 1 1   11  -21    1 o   88.745   12.735  101.723   27.415  128.746   39.798   77.323   37.818   99.043   16.684   75.957   19.753 23.08598 25.85585 
1 1 1   11  -21    2 o  156.555   10.557  310.613   41.033  328.710   58.788  293.422   57.299  159.934   14.891  150.874   15.425 9.060532 21.43995 
1 1 1   11  -21    3 o  153.298   10.349  297.834   39.385  256.841   55.320  339.967   56.085  140.811   16.017  162.894   13.921 -22.08296 21.22172 
1 1 1   11  -21    4 o  108.263   11.864  150.171   31.550  167.773   43.335  130.316   46.023  113.484   15.713   98.714   19.362 14.77023 24.93566 
1 1 1   11  -21    5 o  159.729   10.796  324.036   42.808  334.115   59.654  313.336   61.467  160.960   15.015  155.475   16.063 5.484802 21.98798 
1 1 1   11  -21    6 o  106.563   20.563  153.164   52.737  132.456   83.315  167.008   68.121   97.250   30.687  109.624   25.384 -12.37334 39.82572 
1 1 1   11  -21    7 o   50.200   17.076   30.572   25.600   25.339   28.753   50.578   56.223   48.756   17.948   67.234   25.031 -18.47802 30.80071 
1 1 1   11  -21    8 o   72.435   15.734   70.219   27.646   77.328   33.776   55.790   48.120   75.538   18.135   66.894   23.384 8.643448 29.59196 
1 1 1   11  -21    9 o   41.207   15.800   15.669   22.780   33.480   26.286 -38.0476   45.651   51.727   17.305   39.880   18.613 11.84639 25.41464 
1 1 1   11  -21   10 o  155.323   10.935  309.086   42.144  322.573   54.378  288.798   66.691  157.450   13.976  146.651   18.631 10.79883 23.29043 
1 1 1   11  -21   11 f   50.057   17.132   31.228   25.768   28.199   26.861   66.206   91.280   48.849   17.434   76.911   30.962 -28.06222 35.53283 
1 1 1   11  -21   12 o   58.408   16.061   46.638   24.156   47.449   26.987   43.372   54.177   58.902   17.244   62.379   24.244 -3.477020 29.75152 
1 1 1   11  -21   13 o  131.951   12.778  228.754   41.576  263.930   51.924  165.909   69.404  140.527   15.030  103.900   26.627 36.62712 30.57615 
1 1 1   11  -21   14 o  137.420   12.553  249.021   42.601  248.234   52.920  250.472   71.805  135.027   16.006  130.363   22.893 4.663895 27.93330 
1 1 1   11  -21   15 o   35.815   14.433   9.6551   19.859   22.352   21.319 -73.6350   54.603   43.017   15.512   37.896   18.396 5.121014 24.06319 
1 1 1   11  -21   16 o   68.129   23.873   70.943   50.168   12.175   78.258  111.941   65.365   58.256   26.092   81.602   27.289 -23.34664 37.75512 
1 1 1   11  -21   17 o   51.266   21.892   19.520   49.586 -35.8486   73.535   65.689   67.149   49.048   23.122   66.561   26.640 -17.51249 35.27502 
1 1 1   11  -21   18 o   57.570   24.994   31.349   66.712   0.0000   0.0000   31.349   66.712  ?   ?    57.570   24.994 0.000000 24.99395 
1 1 1   11  -21   19 o   55.312   25.277   11.384   77.976   11.384   77.976   0.0000   0.0000   55.312   25.277  ?   ?  0.000000 25.27728 
1 1 1   11  -20    0 o  398.385   13.903  2012.75  138.317  2097.16  196.594  1930.01  194.640  403.646   19.504  386.306   20.247 17.33932 28.11305 
1 1 1   11  -20    1 o  180.513   12.966  414.606   58.056  713.152   83.234  131.742   81.018  236.613   14.152   98.371   30.138 138.2415 33.29520 
1 1 1   11  -20    2 o  208.971   14.055  556.924   72.917  588.154  102.070  524.376  104.203  212.798   19.422  200.105   21.175 12.69266 28.73305 
1 1 1   11  -20    3 o   98.699   11.908  124.889   28.758  150.168   40.481   99.133   40.861  107.476   15.534   86.038   19.472 21.43759 24.90909 
1 1 1   11  -20    4 o  193.512   10.580  473.809   50.931  580.321   72.554  370.339   71.511  213.312   13.693  169.112   17.172 44.19913 21.96277 
1 1 1   11  -20    5 o  249.155   10.930  784.154   68.007  780.636   96.090  787.686   96.262  246.633   15.683  247.769   15.638 -1.135223 22.14780 
1 1 1   11  -20    6 o  131.243   10.894  219.123   35.382  251.314   48.612  182.857   51.597  139.783   14.120  117.825   18.117 21.95795 22.96927 
1 1 1   11  -20    7 o   90.408   13.015  105.935   28.537  117.481   37.256   89.543   44.390   94.382   16.403   81.205   21.538 13.17695 27.07261 
1 1 1   11  -20    8 o  176.672   16.297  404.904   71.091  403.075  105.616  406.419   96.128  171.893   25.367  174.073   22.651 -2.180313 34.00798 
1 1 1   11  -20    9 o  282.042   11.902  1011.25   83.830  1088.34  116.556  928.654  120.657  290.021   16.158  266.556   18.236 23.46460 24.36450 
1 1 1   11  -20   10 o  102.390   12.291  135.491   30.798  129.588   38.175  146.494   52.120   98.971   15.991  103.557   20.876 -4.585449 26.29675 
1 1 1   11  -20   11 o  141.779   11.135  257.488   39.107  247.201   49.129  275.280   64.608  137.701   14.505  143.612   18.442 -5.910782 23.46269 
1 1 1   11  -20   12 o   96.361   13.465  121.874   31.515  138.292   37.914   85.172   56.689  102.059   15.352   78.070   25.383 23.98948 29.66434 
1 1 1   11  -20   13 o   63.804   17.351   55.902   28.376   42.151   29.685  201.617   96.632   56.510   18.368  112.699   32.528 -56.18833 37.35551 
1 1 1   11  -20   14 o  113.103   12.422  167.505   34.507  171.184   41.909  159.762   60.807  113.081   15.228  104.410   23.845 8.670425 28.29286 
1 1 1   11  -20   15 o  155.839   11.550  316.220   44.629  324.844   55.716  300.780   74.551  156.189   14.449  145.310   21.167 10.87900 25.62806 
1 1 1   11  -20   16 o   32.445   13.563   4.2737   18.377   6.1141   19.572  -9.4346   53.418   34.102   14.104   47.496   21.391 -13.39448 25.62270 
1 1 1   11  -20   17 o   61.780   22.792   53.033   46.407   0.3656   75.485   85.034   58.841   56.095   25.331   73.657   25.851 -17.56205 36.19337 
1 1 1   11  -20   18 o   64.293   23.891   60.834   51.170   54.611   76.355   65.908   68.943   65.641   27.557   67.416   26.990 -1.774788 38.57241 
1 1 1   11  -20   19 o   39.074   18.527 -38.4459   48.492   4.7784   70.844 -76.5525   66.518   54.061   24.465   41.669   20.245 12.39240 31.75489 
1 1 1   11  -20   20 o   39.906   18.771 -29.4205   47.975 -84.1215   71.438   15.516   64.748   42.172   20.598   53.625   23.895 -11.45285 31.54790 
1 1 1   11  -19    0 o   58.228   14.822   44.676   21.608   77.725   32.780   19.279   28.735   76.542   17.527   46.423   17.758 30.11925 24.95086 
1 1 1   11  -19    1 o  156.239   9.8337  308.271   38.171  328.948   55.574  289.805   52.519  160.509   14.005  150.551   14.135 9.957642 19.89856 
1 1 1   11  -19    2 o  277.247   11.278  969.518   78.079  965.045  111.803  973.777  109.087  274.621   16.378  276.059   15.891 -1.438446 22.82013 
1 1 1   11  -19    3 o  188.268   13.255  451.094   61.918  731.562   87.991  175.984   87.146  239.471   14.786  112.535   30.326 126.9364 33.73847 
1 1 1   11  -19    4 o  331.891   17.629  1415.48  145.581  1546.99  205.129  1282.01  206.645  342.862   24.112  309.999   26.963 32.86353 36.17124 
1 1 1   11  -19    5 o  297.249   11.660  1116.52   86.548  1109.11  122.674  1123.87  122.123  293.948   16.782  295.995   16.589 -2.046967 23.59689 
1 1 1   11  -19    6 o  153.220   10.771  297.679   40.948  395.403   57.799  199.205   58.021  176.058   13.244  122.793   19.579 53.26466 23.63770 
1 1 1   11  -19    7 o  451.986   15.533  2610.49  175.323  2820.81  248.148  2400.85  247.741  465.121   21.365  426.837   23.331 38.28445 31.63510 
1 1 1   11  -19    8 o  243.859   10.818  751.389   65.877  759.396   92.362  743.097   93.989  243.285   15.280  240.455   15.740 2.830383 21.93694 
1 1 1   11  -19    9 o  197.785   10.599  495.782   52.159  543.599   71.775  442.271   75.929  206.005   14.036  184.757   16.635 21.24774 21.76577 
1 1 1   11  -19   10 o  135.664   17.809  241.978   58.876  317.339   88.592  182.364   78.794  152.834   24.004  113.627   27.959 39.20694 36.84981 
1 1 1   11  -19   11 o  182.102   11.581  422.907   52.388  515.485   70.860  311.308   77.800  200.072   14.277  152.396   21.001 47.67570 25.39450 
1 1 1   11  -19   12 o  196.787   11.387  494.287   55.716  526.718   74.217  452.406   84.341  201.653   14.843  184.963   18.508 16.69003 23.72474 
1 1 1   11  -19   13 o   78.530   14.977   82.295   28.299  104.426   33.245   24.075   53.922   88.492   15.615   57.779   23.599 30.71311 28.29791 
1 1 1   11  -19   14 o   60.037   16.244   48.916   24.945   53.121   28.161   33.592   53.760   62.425   17.409   60.011   23.897 2.414047 29.56583 
1 1 1   11  -19   15 o  232.956   16.619  722.642   96.042  737.675  119.920  695.752  160.385  231.182   21.002  213.250   31.028 17.93201 37.46724 
1 1 1   11  -19   16 o  161.419   11.552  338.199   46.258  327.232   57.915  357.524   76.879  156.773   14.976  160.542   19.582 -3.768494 24.65228 
1 1 1   11  -19   17 o   44.080   16.024   22.832   22.816   20.574   25.001   34.079   55.801   43.816   16.611   58.898   24.026 -15.08225 29.20944 
1 1 1   11  -19   18 o   30.848   13.304   0.1572   18.649   0.5270   18.804 -22.0429  145.693   31.113   13.389   68.686   32.430 -37.57277 35.08538 
1 1 1   11  -19   19 o   73.961   24.393   86.245   52.284  132.011   77.500   48.016   70.832   86.625   29.710   63.907   26.664 22.71867 39.92051 
1 1 1   11  -19   20 o   80.044   24.371  104.474   53.086   60.277   77.970  142.667   72.481   66.627   27.902   89.488   28.664 -22.86150 40.00194 
1 1 1   11  -19   21 o   66.990   24.580   71.965   53.865   34.995   80.275  102.243   72.649   60.892   26.897   75.556   28.389 -14.66424 39.10738 
1 1 1   11  -19   22 o   69.196   24.914   82.042   54.969   64.520   82.402   96.091   73.786   65.183   28.038   72.135   28.222 -6.951820 39.78187 
1 1 1   11  -18    0 o   95.329   11.042  115.928   25.799  149.639   38.838   89.305   34.514  107.684   14.837   82.225   17.354 25.45825 22.83198 
1 1 1   11  -18    1 o  216.082   9.8810  587.105   53.317  666.913   76.963  513.458   73.933  229.223   13.505  200.668   14.860 28.55504 20.07969 
1 1 1   11  -18    2 o  133.329   9.6292  224.630   31.844  325.163   47.114  140.070   43.209  160.110   11.868  103.452   17.339 56.65813 21.01193 
1 1 1   11  -18    3 o  245.257   10.521  757.438   64.438  784.350   92.448  732.008   89.867  248.069   14.994  239.587   15.098 8.482651 21.27820 
1 1 1   11  -18    4 o  258.384   10.840  841.347   69.944  944.512   99.737  741.511   98.115  272.333   14.720  240.614   16.427 31.71979 22.05782 
1 1 1   11  -18    5 o  539.542   25.689  3830.76  346.117  4065.85  489.172  3595.07  489.796  541.244   36.404  504.927   39.151 36.31775 53.46092 
1 1 1   11  -18    6 o  127.347   14.156  208.316   44.255  325.328   60.206   70.780   65.273  159.148   15.339   76.849   27.204 82.29911 31.23007 
1 1 1   11  -18    7 o  315.064   12.126  1255.49   95.400  1402.36  135.345  1110.46  134.492  331.248   16.362  293.323   18.455 37.92462 24.66398 
1 1 1   11  -18    8 o  186.905   10.147  441.578   47.180  469.913   65.823  411.639   67.661  191.841   13.833  179.045   15.279 12.79663 20.61071 
1 1 1   11  -18    9 o  181.125   10.543  415.386   47.481  472.221   65.604  352.864   68.808  192.254   13.756  165.039   16.936 27.21519 21.81813 
1 1 1   11  -18   10 o  284.022   11.548  1021.01   81.904  1084.80  114.493  954.153  117.214  290.641   15.835  271.762   17.363 18.87878 23.49892 
1 1 1   11  -18   11 o  171.220   13.232  375.210   56.135  322.340   98.430  400.696   68.338  153.009   26.734  176.116   15.703 -23.10675 31.00469 
1 1 1   11  -18   12 o  260.805   16.468  880.306  106.699  996.212  154.153  773.706  147.835  273.214   22.803  238.921   25.156 34.29320 33.95295 
1 1 1   11  -18   13 o  256.774   11.984  839.271   76.842  925.586  105.231  740.668  112.473  267.340   15.833  237.067   19.163 30.27275 24.85754 
1 1 1   11  -18   14 o   61.562   16.098   51.004   25.027   70.823   28.718 -11.5758   51.032   72.506   16.262   47.929   21.294 24.57755 26.79335 
1 1 1   11  -18   15 o   58.920   15.864   46.850   23.861   47.455   26.917   44.630   51.558   59.352   17.178   63.077   23.868 -3.725784 29.40730 
1 1 1   11  -18   16 o  102.015   16.115  139.698   39.691  127.911   42.668  215.431  108.155   96.565   18.365  115.186   34.723 -18.62093 39.28035 
1 1 1   11  -18   17 o  199.540   14.980  526.569   74.097  539.334  125.229  519.692   91.914  190.730   27.051  194.872   19.134 -4.142166 33.13413 
1 1 1   11  -18   18 o  138.689   12.931  253.325   44.269  301.254   51.072  108.505   88.776  150.861   13.706   83.673   31.394 67.18864 34.25534 
1 1 1   11  -18   19 o   61.517   16.604   53.262   26.099   70.117   28.993 -18.7680   59.936   70.540   16.715   48.384   22.130 22.15633 27.73341 
1 1 1   11  -18   20 o  101.596   13.625  139.563   33.697  159.149   38.910   80.808   67.394  107.856   14.840   72.534   27.326 35.32121 31.09535 
1 1 1   11  -18   21 f   93.440   24.125  139.451   56.681  173.571   83.202  109.902   77.428   97.449   30.656   79.512   29.419 17.93710 42.48853 
1 1 1   11  -18   22 o   40.901   19.071 -25.3518   47.744 -48.6700   72.719  -7.6836   63.299   47.018   22.405   49.818   22.770 -2.799244 31.94454 
1 1 1   11  -18   23 o   61.305   24.096   55.928   54.002  106.881   80.197   13.660   73.044   75.331   29.436   55.191   24.921 20.14057 38.56853 
1 1 1   11  -18   24 o   84.660   25.727  130.049   59.199  123.155   88.371  135.661   79.734   76.181   30.536   80.681   29.854 -4.499886 42.70484 
1 1 1   11  -17    0 o  134.538   14.959  231.952   49.405  218.158   74.720  242.666   65.856  127.863   24.289  136.356   19.929 -8.492546 31.41880 
1 1 1   11  -17    1 o  367.149   19.009  1727.92  173.684  1678.91  247.414  1775.53  243.875  356.548   28.014  367.586   26.751 -11.03870 38.73497 
1 1 1   11  -17    2 o  198.133   9.5278  493.229   47.141  567.615   68.215  425.232   65.220  211.604   12.972  182.695   14.413 28.90875 19.39072 
1 1 1   11  -17    3 o  244.344   10.418  751.242   63.570  801.534   90.913  703.126   88.924  251.069   14.563  234.893   15.242 16.17560 21.08104 
1 1 1   11  -17    4 o  123.806   9.9613  194.004   30.536  275.227   44.526  121.880   41.958  147.167   12.227   96.160   18.138 51.00713 21.87422 
1 1 1   11  -17    5 o  167.665   9.6984  354.672   40.433  414.972   57.995  297.645   56.399  180.710   12.937  152.393   15.015 28.31668 19.82009 
1 1 1   11  -17    6 o  423.229   14.560  2273.79  153.885  2411.47  218.106  2137.31  217.150  432.595   20.190  405.920   21.499 26.67505 29.49316 
1 1 1   11  -17    7 o  156.027   13.406  310.562   51.726  368.212   71.081  245.669   75.415  168.936   17.084  135.715   23.079 33.22050 28.71395 
1 1 1   11  -17    8 o  201.112   10.444  510.983   52.271  556.715   73.790  464.923   74.055  208.922   14.228  190.385   15.717 18.53670 21.20078 
1 1 1   11  -17    9 o   87.959   12.576   99.837   26.837  112.525   35.430   82.757   41.105   92.691   15.878   78.530   20.677 14.16048 26.06969 
1 1 1   11  -17   10 o   77.577   13.833   78.650   25.816   80.839   32.984   75.190   41.477   77.921   17.392   74.992   21.204 2.929024 27.42382 
1 1 1   11  -17   11 o  224.988   11.019  639.513   61.910  701.119   85.922  572.994   89.283  234.052   14.777  210.596   17.126 23.45511 22.61942 
1 1 1   11  -17   12 o  294.692   12.411  1101.72   91.336  1235.03  127.967  963.288  130.405  309.680   16.608  271.909   19.331 37.77103 25.48578 
1 1 1   11  -17   13 o  349.178   18.726  1586.90  162.690  1825.20  232.422  1357.98  227.805  368.372   25.422  313.759   29.418 54.61313 38.88047 
1 1 1   11  -17   14 o   84.128   14.524   93.093   29.410  122.284   35.009   23.079   54.217   96.559   15.006   58.301   23.721 38.25874 28.06932 
1 1 1   11  -17   15 o  194.125   10.763  479.748   51.973  472.698   68.110  489.576   80.416  191.265   14.365  193.485   16.811 -2.219391 22.11226 
1 1 1   11  -17   16 o   88.899   15.388  105.137   32.924  118.904   40.824   79.522   55.684   93.688   18.104   76.345   25.173 17.34295 31.00761 
1 1 1   11  -17   17 f  180.261   13.133  421.240   58.711  439.217   65.007  341.681  136.756  183.467   14.302  144.189   37.594 39.27885 40.22234 
1 1 1   11  -17   18 o  130.457   15.894  227.294   50.709  222.850   55.198  251.334  128.383  128.184   17.718  120.169   38.112 8.014900 42.02928 
1 1 1   11  -17   19 o  135.345   11.920  238.910   39.876  245.622   48.066  224.092   71.422  135.963   14.375  123.528   24.018 12.43495 27.99141 
1 1 1   11  -17   20 o  133.182   11.916  232.684   39.212  246.443   46.875  200.615   71.564  135.869   14.017  114.140   25.724 21.72880 29.29481 
1 1 1   11  -17   21 o   81.831   14.802   92.141   29.134   84.961   32.821  118.820   63.270   77.217   17.434   85.686   26.697 -8.469498 31.88494 
1 1 1   11  -17   22 o   74.976   24.108   88.659   51.235   69.320   75.251  105.371   69.953   69.492   28.064   79.257   28.151 -9.765404 39.74981 
1 1 1   11  -17   23 o   78.114   24.803  100.149   54.361  129.839   80.617   75.393   73.615   84.036   30.180   69.728   27.898 14.30814 41.09962 
1 1 1   11  -17   24 o   56.894   23.103   40.904   51.296   27.603   76.332   51.858   69.269   58.741   26.073   62.461   26.236 -3.720367 36.98805 
1 1 1   11  -17   25 o   71.666   24.995   89.883   54.963  151.708   83.123   41.852   73.266   85.328   30.646   59.538   26.015 25.78986 40.19883 
1 1 1   11  -16    0 o  123.715   9.7178  193.323   29.781  197.038   44.153  190.222   40.337  124.044   14.529  122.069   13.456 1.974579 19.80330 
1 1 1   11  -16    1 o  551.749   17.747  3874.00  244.524  4052.96  346.579  3696.63  345.044  559.343   24.813  533.319   25.908 26.02386 35.87345 
1 1 1   11  -16    2 o  196.518   9.8886  486.387   48.372  490.174   69.582  482.846   67.294  196.371   14.287  194.981   13.912 1.390259 19.94176 
1 1 1   11  -16    3 o  323.570   17.514  1337.28  140.988  1287.14  201.063  1385.78  197.752  313.282   25.934  325.975   24.472 -12.69290 35.65725 
1 1 1   11  -16    4 f  336.485   12.132  1427.90  101.943  1463.14  145.344  1393.78  143.022  338.481   17.253  330.276   17.402 8.205139 24.50506 
1 1 1   11  -16    5 o  128.219   9.8767  207.889   31.381  208.277   45.468  207.536   43.364  127.413   14.551  127.340   13.861 0.7330322E-01 20.09627 
1 1 1   11  -16    6 o  279.003   11.167  980.836   77.804  996.668  110.482  965.259  109.587  279.523   15.894  275.021   16.026 4.502380 22.57084 
1 1 1   11  -16    7 o  218.309   10.009  599.584   54.565  585.604   77.495  613.331   76.844  214.379   14.562  219.556   14.090 -5.177277 20.26277 
1 1 1   11  -16    8 o  223.980   10.188  631.469   56.983  690.984   80.841  572.702   80.333  233.080   13.953  211.718   15.297 21.36197 20.70523 
1 1 1   11  -16    9 o  183.008   13.658  426.744   61.966  464.967   84.625  382.558   90.987  189.685   18.085  170.542   21.868 19.14386 28.37749 
1 1 1   11  -16   10 o  165.465   9.8008  345.793   40.316  324.007   55.656  369.847   58.480  159.154   14.151  170.192   13.881 -11.03801 19.82269 
1 1 1   11  -16   11 o  188.733   10.140  450.049   47.613  467.165   65.667  431.077   69.136  191.345   13.836  183.344   15.238 8.000565 20.58286 
1 1 1   11  -16   12 o  121.183   10.815  186.778   32.384  184.717   42.085  189.770   50.707  119.678   14.369  120.477   17.355 -0.7986069 22.53164 
1 1 1   11  -16   13 o  301.506   11.958  1151.11   90.037  1253.53  125.901  1043.90  128.811  312.437   16.192  283.969   18.262 28.46817 24.40654 
1 1 1   11  -16   14 o  171.071   10.641  371.209   45.234  404.150   59.843  327.298   69.092  177.673   13.591  158.355   17.779 19.31789 22.37875 
1 1 1   11  -16   15 o  220.960   15.966  630.974   87.502  651.875  125.855  611.418  121.741  220.583   23.196  213.564   23.201 7.018509 32.80699 
1 1 1   11  -16   16 o  131.974   15.690  227.460   50.694  313.718   86.613  182.512   62.522  151.520   23.664  115.385   22.507 36.13564 32.65836 
1 1 1   11  -16   17 o  148.494   12.464  283.805   45.792  307.233   53.509  219.696   88.516  153.925   14.077  122.602   29.309 31.32293 32.51439 
1 1 1   11  -16   18 o  300.157   12.396  1156.30   92.913  1205.83  125.956  1097.17  137.615  302.779   16.724  286.325   19.361 16.45428 25.58332 
1 1 1   11  -16   19 o  102.152   12.457  136.352   31.118  133.378   36.123  144.909   61.277  100.086   14.908   99.661   24.738 0.4250565 28.88248 
1 1 1   11  -16   20 o  239.606   16.124  765.976   95.917  679.436  114.449  970.212  175.820  220.772   21.013  254.082   28.185 -33.30977 35.15623 
1 1 1   11  -16   21 o  190.838   11.464  473.573   54.378  481.271   68.050  459.974   90.447  190.206   14.435  180.581   20.416 9.625153 25.00328 
1 1 1   11  -16   22 o   55.075   15.938   42.202   23.172   43.651   25.198   34.263   58.984   55.935   16.737   59.253   24.494 -3.317131 29.66626 
1 1 1   11  -16   23 o   91.537   14.069  114.308   31.131  118.934   35.230   97.826   66.496   92.413   15.836   77.572   27.457 14.84066 31.69676 
1 1 1   11  -16   24 o   91.429   23.752  133.026   54.720  161.240   81.300  109.660   73.986   93.955   30.385   79.548   28.865 14.40757 41.91011 
1 1 1   11  -16   25 o   63.039   24.101   59.251   52.907   50.574   76.763   67.102   73.021   63.655   27.212   66.871   27.405 -3.215958 38.62045 
1 1 1   11  -16   26 o   51.945   22.512   21.803   53.930  -2.9584   79.677   42.738   73.262   53.821   24.939   60.194   26.163 -6.372421 36.14449 
1 1 1   11  -16   27 o   44.237   20.347  -7.9961   51.648 -36.9714   77.475   15.181   69.290   47.821   22.881   53.061   24.085 -5.240139 33.22092 
1 1 1   11  -15    0 o  387.131   13.662  1889.27  132.074  1886.40  187.535  1892.09  186.037  384.435   19.600  385.099   19.408 -0.6636353 27.58283 
1 1 1   11  -15    1 o  343.629   12.488  1486.85  107.162  1471.16  152.373  1502.20  150.739  339.819   18.020  343.541   17.630 -3.721954 25.21040 
1 1 1   11  -15    2 o  278.060   10.957  972.010   76.084  1029.67  108.711  916.645  106.522  284.862   15.339  268.547   15.956 16.31421 22.13304 
1 1 1   11  -15    3 o  239.371   10.330  720.009   61.748  737.356   88.420  703.494   86.270  241.005   14.763  235.390   14.751 5.615799 20.86944 
1 1 1   11  -15    4 o  288.040   12.963  1046.83   93.242  1092.23  165.139  1025.59  112.974  290.185   22.977  283.902   16.000 6.283081 27.99904 
1 1 1   11  -15    5 o  278.538   16.101  988.209  111.513  1001.35  159.860  975.752  155.631  277.447   23.289  274.011   22.956 3.436279 32.70087 
1 1 1   11  -15    6 o  142.411   9.5246  255.904   33.677  240.798   48.296  270.201   46.983  137.209   14.306  145.702   13.051 -8.493530 19.36471 
1 1 1   11  -15    7 o  510.997   16.730  3324.69  213.479  3487.64  302.428  3162.85  301.386  518.629   23.351  492.986   24.481 25.64334 33.83241 
1 1 1   11  -15    8 o  192.712   9.8115  468.151   47.061  488.807   66.991  448.026   66.125  196.042   13.771  187.528   14.227 8.514023 19.80023 
1 1 1   11  -15    9 o  366.826   12.891  1701.23  118.085  1727.54  167.127  1675.01  166.869  367.385   18.217  361.150   18.566 6.235077 26.01031 
1 1 1   11  -15   10 f  288.416   11.407  1049.19   82.153  1099.54  115.982  998.487  116.383  293.469   15.885  279.267   16.766 14.20145 23.09657 
1 1 1   11  -15   11 o  270.631   16.135  936.903  108.546  1089.56  151.067  773.961  156.071  289.566   21.035  241.081   26.354 48.48489 33.71937 
1 1 1   11  -15   12 o   96.718   11.747  119.836   27.790  117.994   35.935  122.577   43.833   95.049   15.687   96.078   18.943 -1.029243 24.59474 
1 1 1   11  -15   13 o  205.608   10.355  534.206   52.998  561.503   72.790  503.409   77.316  209.799   13.974  198.020   15.766 11.77905 21.06734 
1 1 1   11  -15   14 o  193.956   10.471  475.914   50.527  491.919   68.832  457.214   74.403  196.160   14.147  188.477   15.958 7.683090 21.32583 
1 1 1   11  -15   15 o  250.579   13.139  799.844   81.930  845.554  131.627  770.934  104.681  253.866   20.950  244.241   17.275 9.625061 27.15360 
1 1 1   11  -15   16 o  130.852   11.868  218.856   38.359  170.049   41.254  530.478  104.241  114.430   14.782  200.200   21.172 -85.77011 25.82195 
1 1 1   11  -15   17 o  128.742   17.575  218.479   55.027  190.071   79.445  244.676   76.290  115.757   27.827  133.704   23.718 -17.94732 36.56337 
1 1 1   11  -15   18 o  215.023   11.482  590.019   61.432  655.414   81.509  504.028   93.468  225.204   14.572  194.762   19.479 30.44177 24.32653 
1 1 1   11  -15   19 o  131.295   12.046  222.292   39.055  256.487   47.876  154.272   67.523  140.428   13.832  103.371   26.141 37.05728 29.57531 
1 1 1   11  -15   20 o   86.645   13.241   99.000   27.739   91.796   31.625  123.032   57.760   82.441   15.938   92.113   24.633 -9.671715 29.33934 
1 1 1   11  -15   21 o   90.890   16.872  112.916   36.885  106.637   38.317  192.264  136.204   87.741   18.089  104.948   38.982 -17.20681 42.97428 
1 1 1   11  -15   22 o   61.747   15.428   52.605   23.722   52.546   25.930   52.905   58.745   61.495   16.530   65.446   25.299 -3.951260 30.22016 
1 1 1   11  -15   23 o   95.505   13.442  122.334   31.171  111.466   35.605  158.002   64.504   89.573   16.526  100.683   25.599 -11.10958 30.46986 
1 1 1   11  -15   24 o  122.431   12.754  199.792   38.420  210.308   44.615  169.614   75.576  124.436   14.637  100.344   28.709 24.09187 32.22530 
1 1 1   11  -15   25 o  113.408   20.235  189.690   55.205  213.539   81.906  169.837   74.730  111.251   29.136   99.197   28.597 12.05438 40.82574 
1 1 1   11  -15   26 o   73.292   24.739   87.890   53.726  214.783   79.869 -16.9851   72.610  110.451   28.697   51.304   23.784 59.14693 37.27211 
1 1 1   11  -15   27 o   76.004   24.429   98.012   52.610   90.114   78.324  104.505   71.016   71.383   28.700   75.522   28.129 -4.139496 40.18629 
1 1 1   11  -15   28 o   56.163   23.153   42.698   52.505   85.874   79.187   8.8237   70.141   68.322   28.323   52.547   23.998 15.77485 37.12304 
1 1 1   11  -14    0 o  229.844   10.227  662.654   58.699  630.467   84.084  693.253   81.982  223.075   15.185  234.197   14.084 -11.12178 20.71045 
1 1 1   11  -14    1 o  336.800   12.286  1426.39  103.334  1482.70  146.950  1371.31  145.335  341.792   17.273  328.509   17.783 13.28278 24.79056 
1 1 1   11  -14    2 o  355.978   12.826  1595.28  114.013  1565.74  161.852  1624.38  160.633  350.640   18.550  357.343   18.060 -6.703217 25.88952 
1 1 1   11  -14    3 o  323.469   11.987  1316.46   96.828  1351.79  137.780  1281.97  136.105  326.115   16.977  317.474   17.232 8.641083 24.19060 
1 1 1   11  -14    4 o  123.149   9.7425  191.547   29.716  195.964   43.815  187.784   40.438  123.739   14.452  121.271   13.587 2.468285 19.83563 
1 1 1   11  -14    5 o  125.616   9.4584  199.177   29.452  187.224   42.906  209.827   40.501  120.864   14.505  128.389   12.803 -7.525558 19.34757 
1 1 1   11  -14    6 o  199.677   11.360  503.423   56.410  539.374  102.609  487.850   67.531  204.272   20.388  196.015   13.886 8.257507 24.66735 
1 1 1   11  -14    7 o  429.960   21.050  2374.99  226.013  2395.05  320.787  2355.21  318.487  424.403   30.471  420.807   30.515 3.595520 43.12404 
1 1 1   11  -14    8 o  229.452   9.9688  661.805   57.120  753.521   81.564  573.534   80.017  243.810   13.449  212.144   15.205 31.66605 20.29941 
1 1 1   11  -14    9 o  201.551   9.7260  510.602   48.952  454.661   69.341  566.180   69.116  188.809   14.826  211.260   13.167 -22.45135 19.82854 
1 1 1   11  -14   10 o  494.622   16.332  3114.34  201.727  3322.42  285.594  2907.17  284.978  506.476   22.581  471.924   24.264 34.55228 33.14558 
1 1 1   11  -14   11 o  278.292   11.371  976.441   79.022  1057.47  111.424  894.446  112.088  288.003   15.550  264.238   17.078 23.76480 23.09723 
1 1 1   11  -14   12 f  285.848   11.457  1030.71   81.780  1050.26  114.809  1010.58  116.521  286.701   16.101  280.983   16.681 5.718231 23.18407 
1 1 1   11  -14   13 o  175.149   13.878  391.377   60.202  428.681   80.081  342.898   91.292  182.134   17.836  160.697   23.440 21.43719 29.45400 
1 1 1   11  -14   14 o  261.956   11.200  866.044   73.266  896.884  102.134  833.348  105.161  264.862   15.510  254.835   16.616 10.02704 22.72969 
1 1 1   11  -14   15 o  269.555   13.397  922.032   90.177  992.603  157.647  887.711  109.940  274.470   23.218  262.774   16.843 11.69559 28.68403 
1 1 1   11  -14   16 o  188.365   10.903  449.594   51.067  459.299   60.430  425.351   95.514  189.867   12.820  179.345   21.773 10.52196 25.26754 
1 1 1   11  -14   17 o  170.561   9.9455  368.282   42.176  313.469   53.956  454.382   67.625  156.239   13.977  188.137   14.506 -31.89838 20.14393 
1 1 1   11  -14   18 o   90.287   19.423  110.078   42.493  128.134   67.583   98.274   54.646   95.651   27.073   84.572   24.476 11.07917 36.49717 
1 1 1   11  -14   19 o  119.489   11.943  183.500   35.158  166.615   40.231  238.070   72.325  113.003   14.598  131.905   22.781 -18.90274 27.05697 
1 1 1   11  -14   20 o  246.304   11.450  773.673   70.426  802.619   93.088  734.930  107.695  248.570   15.068  235.552   18.456 13.01836 23.82596 
1 1 1   11  -14   21 o  139.570   11.353  250.746   39.226  244.125   47.514  264.915   69.511  136.592   14.134  138.949   20.662 -2.357834 25.03388 
1 1 1   11  -14   22 f  139.099   11.569  250.435   39.822  257.987   47.802  233.309   71.986  140.150   13.839  127.631   23.450 12.51920 27.22949 
1 1 1   11  -14   23 o   95.029   16.948  124.154   38.742  118.155   40.034  212.673  153.786   92.108   18.050  105.607   40.902 -13.49896 44.70809 
1 1 1   11  -14   24 o   98.399   13.344  129.377   31.942  133.064   36.345  116.863   66.955   98.890   15.205   85.808   27.556 13.08165 31.47269 
1 1 1   11  -14   25 o  136.674   11.522  245.412   38.958  245.239   46.171  245.838   72.589  135.150   13.877  127.438   23.682 7.712769 27.44822 
1 1 1   11  -14   26 o  105.157   13.704  149.888   35.132  176.063   40.666   72.873   69.756  113.436   14.702   70.073   27.433 43.36314 31.12437 
1 1 1   11  -14   27 o   48.289   20.872   11.859   46.108   61.030   69.313 -27.1716   61.753   65.846   26.810   46.441   21.666 19.40488 34.46997 
1 1 1   11  -14   28 o  126.128   20.852  243.169   63.383  363.506   96.154  150.704   84.286  145.526   27.466   87.112   30.905 58.41351 41.34594 
1 1 1   11  -14   29 o   57.652   23.189   47.563   51.152   5.0942   77.097   80.960   68.368   53.788   24.785   67.734   26.956 -13.94603 36.61862 
1 1 1   11  -13    0 o  400.501   19.459  2030.96  194.613  2076.64  275.688  1985.59  274.764  401.270   27.682  392.078   28.253 9.192627 39.55362 
1 1 1   11  -13    1 o  133.092   12.782  224.617   41.958  234.460   60.578  215.542   58.169  134.919   18.465  129.242   18.556 5.676727 26.17756 
1 1 1   11  -13    2 o  455.993   15.333  2622.34  174.594  2584.55  247.370  2659.86  246.457  450.324   21.997  457.006   21.596 -6.681702 30.82634 
1 1 1   11  -13    3 o  391.373   13.684  1929.03  133.738  1945.10  189.837  1913.19  188.438  391.303   19.428  387.582   19.532 3.720917 27.54883 
1 1 1   11  -13    4 o  537.467   17.469  3661.46  234.464  3779.10  332.122  3544.58  331.045  542.114   24.533  524.559   25.272 17.55505 35.22168 
1 1 1   11  -13    5 o  160.449   9.3687  324.024   37.374  340.805   54.032  308.628   51.753  163.916   13.315  155.914   13.423 8.001587 18.90697 
1 1 1   11  -13    6 f   79.971   11.491   82.057   22.288   75.730   32.883   87.435   30.314   75.729   17.705   81.844   15.397 -6.114258 23.46381 
1 1 1   11  -13    7 o  162.741   9.5189  333.595   38.516  314.969   55.460  350.948   53.530  157.247   14.279  166.324   12.991 -9.076813 19.30481 
1 1 1   11  -13    8 o  263.136   12.322  872.764   80.967  932.731  143.915  844.993   97.937  268.610   21.639  257.832   15.279 10.77798 26.48931 
1 1 1   11  -13    9 o  171.748   14.137  375.542   60.092  394.492   87.270  358.456   82.866  174.289   20.440  166.042   20.415 8.246475 28.88880 
1 1 1   11  -13   10 o  221.551   10.046  617.093   55.583  607.572   78.628  626.604   78.583  218.571   14.488  222.048   14.247 -3.476929 20.31945 
1 1 1   11  -13   11 o  371.108   13.076  1740.43  121.178  1867.24  171.573  1614.20  171.170  382.361   17.969  354.362   19.417 27.99887 26.45585 
1 1 1   11  -13   12 o  252.739   10.191  803.637   64.320  779.622   90.345  828.322   91.594  247.516   14.682  255.236   14.430 -7.719650 20.58606 
1 1 1   11  -13   13 o  353.323   12.620  1577.57  111.350  1567.39  156.776  1587.93  158.178  349.590   18.020  351.857   18.063 -2.266937 25.51458 
1 1 1   11  -13   14 o  263.881   15.990  890.063  104.869   0.0000   0.0000  890.063  104.869  ?   ?   263.881   15.990 0.000000 15.98977 
1 1 1   11  -13   15 o  287.039   16.198  1054.25  115.629  1041.66  157.139  1069.12  170.757  282.191   22.486  284.877   24.233 -2.686035 33.05866 
1 1 1   11  -13   16 o  213.531   9.8727  574.170   52.644  541.414   71.056  614.027   78.380  206.054   13.890  219.330   14.390 -13.27611 20.00063 
1 1 1   11  -13   17 f   70.834   14.066   65.951   24.003   53.526   27.916  101.183   47.008   63.530   17.182   86.480   21.780 -22.94917 27.74148 
1 1 1   11  -13   18 o  176.057   10.437  392.669   45.681  389.335   59.504  397.453   71.287  174.381   13.777  175.280   16.480 -0.8989716 21.47997 
1 1 1   11  -13   19 o  151.836   10.516  292.859   39.627  307.294   50.061  268.634   64.850  154.844   13.069  142.796   18.630 12.04816 22.75688 
1 1 1   11  -13   20 o  214.566   15.811  596.843   84.122  644.341  119.840  550.706  118.111  219.186   22.201  201.371   23.958 17.81535 32.66293 
1 1 1   11  -13   21 f  140.709   10.973  253.293   38.252  247.524   46.515  265.344   67.229  138.184   13.659  140.467   19.709 -2.282257 23.97882 
1 1 1   11  -13   22 o  161.445   10.999  334.124   44.078  341.398   54.263  320.015   75.577  162.139   13.525  153.404   20.222 8.735352 24.32805 
1 1 1   11  -13   23 o  141.707   11.723  259.814   41.111  282.792   50.540  214.875   70.680  146.841   13.950  122.239   24.011 24.60142 27.76959 
1 1 1   11  -13   24 o  118.590   12.297  184.105   35.886  224.729   42.611   85.000   66.554  130.675   13.241   76.795   27.439 53.88014 30.46641 
1 1 1   11  -13   25 o   94.127   15.066  120.357   34.218  114.607   34.860  272.198  179.130   91.429   15.842  110.726   43.770 -19.29684 46.54871 
1 1 1   11  -13   26 o  122.651   12.225  198.862   36.944  214.778   43.396  156.947   70.422  126.465   13.975   98.208   27.580 28.25776 30.91845 
1 1 1   11  -13   27 o  123.808   12.367  203.898   37.724  225.745   44.175  145.051   72.501  129.317   13.898   92.341   28.546 36.97567 31.74957 
1 1 1   11  -13   28 o   93.803   22.907  137.900   53.194  249.339   79.959   49.419   71.248  122.891   26.809   63.660   26.667 59.23028 37.81368 
1 1 1   11  -13   29 f   61.463   23.504   55.700   50.331  104.467   76.866   19.099   66.592   75.966   29.048   55.264   24.450 20.70183 37.96783 
1 1 1   11  -13   30 o   64.327   24.227   67.829   52.969   73.250   79.401   63.483   71.104   66.516   28.022   63.911   26.695 2.605137 38.70200 
1 1 1   11  -12    0 o  628.110   19.947  4987.02  312.877  4920.95  442.688  5052.95  442.261  619.946   28.595  628.430   28.182 -8.483826 40.14857 
1 1 1   11  -12    1 o  228.870   9.9931  656.212   57.114  700.925   81.988  614.059   79.607  235.758   13.989  220.520   14.538 15.23727 20.17489 
1 1 1   11  -12    2 o  346.833   17.631  1522.58  152.197  1538.87  215.665  1506.41  214.814  346.308   25.109  342.550   25.291 3.758057 35.63856 
1 1 1   11  -12    3 o  528.598   24.461  3570.35  322.891  3560.01  456.831  3580.67  456.442  520.373   35.365  521.994   35.222 -1.620361 49.91287 
1 1 1   11  -12    4 o  232.353   10.176  677.054   59.046  745.472   84.700  612.371   82.355  242.939   14.021  219.897   15.089 23.04163 20.59778 
1 1 1   11  -12    5 o  336.552   12.387  1424.25  104.104  1422.02  147.883  1426.44  146.577  334.599   17.762  335.181   17.573 -0.5816956 24.98631 
1 1 1   11  -12    6 o  277.208   10.878  965.141   75.299  966.411  107.240  963.906  105.753  276.106   15.618  275.799   15.417 0.3065796 21.94508 
1 1 1   11  -12    7 o  237.989   10.146  711.094   60.295  708.259   86.190  713.812   84.379  236.366   14.675  237.384   14.301 -1.017548 20.49072 
1 1 1   11  -12    8 o  122.412   9.5888  189.217   29.077  223.192   42.241  158.622   40.086  132.453   12.936  111.073   14.822 21.38076 19.67324 
1 1 1   11  -12    9 o  304.239   11.344  1164.69   86.181  1149.44  122.274  1179.75  121.488  300.572   16.352  304.631   16.027 -4.059265 22.89622 
1 1 1   11  -12   10 o  171.834   11.213  373.148   47.853  394.572   87.209  363.919   57.240  174.391   20.412  169.194   13.664 5.196976 24.56326 
1 1 1   11  -12   11 o  271.332   15.750  937.277  106.259  996.925  152.145  880.477  148.469  277.305   22.156  260.089   23.100 17.21597 32.00758 
1 1 1   11  -12   12 o  134.887   9.7384  229.822   32.582  245.240   45.578  213.709   46.595  138.688   13.324  129.071   14.720 9.616440 19.85466 
1 1 1   11  -12   13 o  134.262   9.7876  227.792   32.590  222.576   44.822  233.642   47.468  131.931   13.810  135.093   14.288 -3.162552 19.87069 
1 1 1   11  -12   14 o   69.286   17.506   63.631   30.300  110.520   58.324   46.298   35.461   90.563   24.979   61.102   20.086 29.46052 32.05298 
1 1 1   11  -12   15 o  257.645   12.517  838.791   80.534  827.438   97.532  863.117  142.767  254.678   15.408  257.125   22.460 -2.447083 27.23742 
1 1 1   11  -12   16 o  333.775   17.650  1429.52  146.590  1427.37  202.556  1431.89  212.415  329.253   24.818  328.904   26.076 0.3484497 35.99854 
1 1 1   11  -12   17 o  113.296   11.267  163.542   31.454  165.453   39.164  160.070   52.791  113.321   14.148  109.828   19.985 3.493095 24.48564 
1 1 1   11  -12   18 o  247.582   11.066  773.845   68.413  804.705   93.302  737.960  100.613  250.916   14.959  239.466   16.934 11.44966 22.59496 
1 1 1   11  -12   19 o  115.047   11.297  168.891   32.036  169.076   39.330  168.525   55.226  114.446   14.057  112.327   20.441 2.119186 24.80840 
1 1 1   11  -12   20 o  136.157   11.498  236.465   38.729  283.028   48.417  153.739   64.535  148.579   13.186  105.454   24.904 43.12504 28.17995 
1 1 1   11  -12   21 o  269.215   11.180  919.452   75.161  899.218  100.637  944.974  113.024  264.005   15.331  269.758   16.863 -5.753143 22.79026 
1 1 1   11  -12   22 o  177.239   15.505  409.191   67.936  428.078   96.809  390.867   95.359  177.528   22.331  169.014   23.206 8.514404 32.20599 
1 1 1   11  -12   23 o  263.382   12.119  888.837   79.707  995.585  105.981  749.832  120.938  276.199   15.427  235.454   20.782 40.74516 25.88245 
1 1 1   11  -12   24 o   93.499   12.612  114.617   28.696  120.342   32.999   96.857   58.117   95.219   14.322   81.806   25.603 13.41258 29.33608 
1 1 1   11  -12   25 o  122.750   11.801  196.244   35.729  221.344   42.387  134.640   66.404  129.742   13.270   93.932   26.922 35.81042 30.01448 
1 1 1   11  -12   26 o   78.914   18.359   88.177   35.498   99.009   36.179 -191.6405  183.877   83.991   17.802   65.485   32.202 18.50539 36.79496 
1 1 1   11  -12   27 o  159.575   11.918  334.240   47.148  359.313   56.887  279.226   84.265  163.973   14.028  134.266   26.072 29.70750 29.60635 
1 1 1   11  -12   28 o   83.366   15.383   96.447   30.845  122.354   35.124   9.1205   64.486   94.068   15.492   54.627   24.119 39.44044 28.66592 
1 1 1   11  -12   29 o   66.718   16.313   63.722   26.951   71.228   29.882   30.996   62.397   70.178   17.188   57.962   24.650 12.21609 30.05066 
1 1 1   11  -12   30 o   56.571   22.629   40.618   48.420   29.881   74.902   48.326   63.464   59.291   26.095   61.231   25.367 -1.940086 36.39296 
1 1 1   11  -12   31 o   61.661   24.023   58.729   53.292   7.5871   82.070   96.015   70.076   55.674   25.623   72.414   27.724 -16.74022 37.75163 
1 1 1   11  -11    0 o  580.198   18.429  4240.65  267.010  4354.81  378.102  4127.08  377.118  585.451   25.862  569.690   26.509 15.76196 37.03469 
1 1 1   11  -11    1 o  131.817   9.5050  218.623   31.078  211.164   45.554  225.118   42.506  128.884   14.400  133.346   12.927 -4.461060 19.35126 
1 1 1   11  -11    2 o  389.394   13.591  1903.78  132.156  1904.12  187.503  1903.45  186.296  388.326   19.336  388.285   19.213 0.4058838E-01 27.25846 
1 1 1   11  -11    3 f  367.184   13.052  1692.81  119.679  1730.90  169.882  1655.27  168.629  370.285   18.372  361.559   18.741 8.726257 26.24431 
1 1 1   11  -11    4 o  133.475   9.5186  224.286   31.519  224.333   46.281  224.245   43.043  132.826   14.172  132.969   13.135 -0.1424255 19.32248 
1 1 1   11  -11    5 f  496.768   23.131  3145.94  286.945  3214.95  406.334  3077.28  405.273  495.993   32.995  484.758   33.688 11.23489 47.15438 
1 1 1   11  -11    6 o  322.895   12.059  1309.93   97.232  1369.82  138.223  1251.27  136.801  328.796   16.892  314.033   17.514 14.76254 24.33276 
1 1 1   11  -11    7 o  242.025   10.430  735.109   63.034  716.416   89.843  753.232   88.459  237.779   15.211  243.975   14.586 -6.196869 21.07408 
1 1 1   11  -11    8 o  282.158   10.975  1000.15   77.331  966.331  109.863  1033.36  108.870  275.952   16.012  285.583   15.322 -9.631104 22.16158 
1 1 1   11  -11    9 o  131.474   9.1946  217.871   29.997  280.546   43.638  161.724   41.303  148.866   11.836  112.132   15.137 36.73442 19.21559 
1 1 1   11  -11   10 o  190.772   9.4761  456.792   45.144  445.143   64.297  468.117   63.398  187.278   13.847  192.196   13.291 -4.917831 19.19311 
1 1 1   11  -11   11 f  147.107   9.1521  272.622   33.454  275.460   47.605  269.852   47.022  147.199   13.088  145.686   13.064 1.512787 18.49189 
1 1 1   11  -11   12 o  185.925   14.093  439.517   64.948  493.959   94.460  390.701   89.446  195.599   19.603  173.268   21.109 22.33051 28.80684 
1 1 1   11  -11   13 o  325.567   25.196  1386.69  203.248   0.0000   0.0000  1386.69  203.248  ?   ?   325.567   25.196 0.000000 25.19592 
1 1 1   11  -11   14 o  236.126   13.930  707.884   81.775  707.884   81.775   0.0000   0.0000  236.126   13.930  ?   ?  0.000000 13.93014 
1 1 1   11  -11   15 o  203.473   9.9320  520.589   50.465  533.128   70.127  507.121   72.679  204.798   13.793  199.478   14.694 5.320633 20.15295 
1 1 1   11  -11   16 o  443.221   15.060  2494.32  166.685  2490.16  234.851  2498.53  236.615  439.131   21.416  439.781   21.545 -0.6497803 30.37876 
1 1 1   11  -11   17 o  130.811   10.880  217.076   35.219  242.212   46.527  183.348   53.895  137.618   13.722  118.194   18.897 19.42473 23.35315 
1 1 1   11  -11   18 o  280.149   15.923  1003.46  110.932  976.871  149.249  1036.27  165.819  273.499   22.040  280.682   23.885 -7.182617 32.49953 
1 1 1   11  -11   19 o  146.127   10.549  270.580   38.234  279.040   48.417  256.565   62.319  147.788   13.260  140.244   18.225 7.543930 22.53885 
1 1 1   11  -11   20 f  147.104   10.548  274.431   38.491  300.213   49.189  233.704   61.822  153.307   12.970  133.283   19.122 20.02312 23.10588 
1 1 1   11  -11   21 o  186.670   10.519  441.610   48.834  446.839   63.395  433.979   76.582  186.830   13.683  182.911   16.959 3.918854 21.79095 
1 1 1   11  -11   22 o  231.803   11.019  681.053   63.782  702.143   84.267  652.764   97.596  233.677   14.513  223.754   17.609 9.922836 22.81862 
1 1 1   11  -11   23 o  408.247   17.216  2171.60  175.512  2395.84  296.132  2050.18  217.909  412.776   28.912  390.520   22.439 22.25525 36.59780 
1 1 1   11  -11   24 o  247.339   11.412  781.143   70.484  805.732   91.207  744.688  111.056  248.985   14.735  236.309   18.980 12.67677 24.02797 
1 1 1   11  -11   25 o  261.978   11.518  880.385   75.351  900.151   98.039  851.855  117.782  262.084   15.043  251.556   18.888 10.52861 24.14590 
1 1 1   11  -11   26 o   28.057   12.266  -2.5548   16.305   4.2392   17.276 -57.9835   49.345   31.851   13.219   38.105   18.240 -6.254700 22.52584 
1 1 1   11  -11   27 o   75.326   15.041   77.588   27.301   90.514   31.013   33.081   57.548   81.147   15.873   59.468   24.345 21.67830 29.06294 
1 1 1   11  -11   28 o   84.998   18.366  102.856   37.845  106.883   38.396 -34.6841  224.380   86.720   18.305   78.810   38.023 7.910309 42.19943 
1 1 1   11  -11   29 o  103.826   12.957  144.350   32.864  120.001   37.538  224.255   68.002   92.421   16.887  121.811   23.203 -29.38967 28.69761 
1 1 1   11  -11   30 o   60.016   16.665   51.617   25.865   48.197   28.567   67.171   60.923   57.939   17.920   67.396   25.839 -9.457191 31.44514 
1 1 1   11  -11   31 o  112.991   21.867  197.065   59.469  265.986   89.164  141.840   79.814  122.094   29.560   86.778   30.128 35.31586 42.20776 
1 1 1   11  -11   32 o   76.197   25.145  101.200   55.553  145.705   84.129   66.791   73.974   84.371   30.755   65.352   27.257 19.01941 41.09478 
1 1 1   11  -10    0 o  652.146   20.390  5359.56  332.052  5528.85  470.113  5191.03  469.073  659.456   28.547  638.640   29.413 20.81610 40.98846 
1 1 1   11  -10    1 o  174.599   9.4440  382.546   41.023  378.577   59.102  386.235   56.988  173.196   13.779  175.034   13.134 -1.838043 19.03558 
1 1 1   11  -10    2 o  335.748   12.291  1412.92  103.053  1345.89  146.137  1479.23  145.345  326.487   17.994  342.939   16.972 -16.45264 24.73507 
1 1 1   11  -10    3 o  213.254   9.8959  569.361   52.699  563.428   75.501  574.997   73.592  211.341   14.392  213.586   13.873 -2.244949 19.98938 
1 1 1   11  -10    4 o  240.861   10.201  726.625   61.358  730.142   87.690  723.252   85.885  240.604   14.665  239.501   14.428 1.103500 20.57208 
1 1 1   11  -10    5 o  325.202   11.934  1326.67   96.919  1345.20  137.674  1308.47  136.461  326.261   16.957  321.745   17.045 4.515533 24.04278 
1 1 1   11  -10    6 o  233.952   10.100  685.940   59.006  681.495   84.413  690.187   82.512  232.273   14.628  233.833   14.198 -1.559875 20.38522 
1 1 1   11  -10    7 f  327.857   16.959  1361.14  138.369  1365.73  196.251  1356.61  195.120  326.046   24.278  324.972   24.218 1.073517 34.29135 
1 1 1   11  -10    8 o  613.705   19.682  4783.41  301.639  4718.21  426.769  4848.49  426.396  604.094   28.290  612.689   27.869 -8.594299 39.71178 
1 1 1   11  -10    9 o   96.241   10.290  117.548   24.346  103.220   35.522  130.241   33.433   88.943   16.604  100.788   13.634 -11.84497 21.48421 
1 1 1   11  -10   10 o  382.100   13.070  1839.35  124.708  1877.00  176.793  1802.06  175.937  384.304   18.422  376.449   18.715 7.855682 26.26102 
1 1 1   11  -10   11 o  370.813   12.706  1732.46  117.655  1675.70  166.672  1788.84  166.108  362.428   18.477  375.200   17.729 -12.77206 25.60686 
1 1 1   11  -10   12 o  182.282   9.2936  418.066   42.164  367.126   59.729  468.664   59.528  169.884   14.210  192.464   12.453 -22.57999 18.89392 
1 1 1   11  -10   13 o  327.788   12.142  1353.90   99.390  1276.32  140.586  1431.41  140.533  316.106   17.883  335.658   16.766 -19.55185 24.51336 
1 1 1   11  -10   14 o  147.302   14.692  277.324   53.323  229.661   76.620  322.092   74.257  131.257   24.270  157.636   19.265 -26.37904 30.98633 
1 1 1   11  -10   15 o   77.887   11.822   78.143   22.271   70.083   28.655   90.441   35.395   72.893   16.166   82.730   17.670 -9.836823 23.94867 
1 1 1   11  -10   16 o  167.335   9.7194  353.091   40.439  342.532   55.161  365.360   59.460  164.033   13.589  169.301   14.195 -5.267960 19.65088 
1 1 1   11  -10   17 o  404.422   13.973  2071.17  141.111  2075.72  198.534  2066.53  200.604  402.052   19.774  401.016   20.032 1.036530 28.14799 
1 1 1   11  -10   18 o  110.423   10.508  154.876   28.626  148.658   36.442  164.896   46.258  107.473   13.904  112.515   16.993 -5.041756 21.95682 
1 1 1   11  -10   19 o  223.889   10.492  631.419   58.659  654.681   79.853  604.153   86.454  226.736   14.174  217.171   16.055 9.564529 21.41698 
1 1 1   11  -10   20 o  359.058   18.501  1660.94  165.324  1612.94  225.940  1716.25  242.548  348.532   26.150  358.633   27.288 -10.10071 37.79509 
1 1 1   11  -10   21 o  144.780   10.468  265.739   37.590  278.536   47.865  245.144   60.721  147.619   13.121  136.925   18.210 10.69374 22.44493 
1 1 1   11  -10   22 o  112.787   11.370  162.549   31.587  165.139   38.363  157.097   55.661  113.071   13.878  107.920   21.410 5.150581 25.51406 
1 1 1   11  -10   23 o  139.859   11.302  249.569   39.137  267.676   48.784  216.872   65.556  144.168   13.716  126.815   21.467 17.35251 25.47456 
1 1 1   11  -10   24 o  323.755   12.713  1339.21  102.785  1315.85  139.453  1366.99  152.087  317.146   17.679  322.147   18.989 -5.000885 25.94483 
1 1 1   11  -10   25 f  123.303   17.389  202.862   52.057  233.033   75.502  175.522   71.872  128.649   24.395  110.236   26.447 18.41307 35.97997 
1 1 1   11  -10   26 o  144.930   11.416  270.715   40.982  283.142   49.635  244.094   72.644  147.272   13.652  131.633   22.933 15.63942 26.68882 
1 1 1   11  -10   27 o  143.986   10.634  267.197   37.964  236.128   45.019  343.672   70.631  133.960   13.649  158.987   18.114 -25.02780 22.68000 
1 1 1   11  -10   28 o   52.396   15.719   37.294   22.205   37.059   24.343   38.460   54.192   52.471   16.591   60.145   23.980 -7.673748 29.15945 
1 1 1   11  -10   29 o  102.854   18.143  148.639   44.895  156.738   45.725 -68.4067  236.704  105.795   17.949   78.424   38.123 27.37071 42.13706 
1 1 1   11  -10   30 o   82.082   15.097   92.981   29.804  103.645   33.425   51.602   65.841   86.231   16.115   64.872   26.232 21.35865 30.78681 
1 1 1   11  -10   31 o   43.063   16.040   21.600   23.092   23.204   25.026   12.403   59.912   44.547   16.677   53.435   23.432 -8.888287 28.76089 
1 1 1   11  -10   32 o   78.757   16.606   89.373   31.630  101.416   35.576   43.954   69.092   83.349   17.643   61.406   26.019 21.94304 31.43633 
1 1 1   11  -10   33 o  154.295   19.462  357.649   73.321  543.256  111.320  215.430   97.444  180.526   25.396   99.887   33.318 80.63904 41.89325 
1 1 1   11   -9    0 o  422.366   19.933  2244.39  210.238  2471.67  298.931  2021.93  295.737  440.976   27.280  397.925   29.982 43.05157 40.53514 
1 1 1   11   -9    1 o  186.985   9.3472  437.327   43.645  461.733   62.783  414.501   60.716  191.511   13.209  181.368   13.502 10.14270 18.88889 
1 1 1   11   -9    2 o  180.298   9.3391  407.744   41.904  389.818   60.201  424.593   58.364  175.790   13.825  183.636   12.808 -7.845734 18.84617 
1 1 1   11   -9    3 o  542.004   17.468  3694.25  236.427  3704.55  334.736  3684.00  333.982  540.813   24.786  539.307   24.799 1.506714 35.06192 
1 1 1   11   -9    4 o  316.267   11.839  1253.37   93.505  1234.52  132.858  1271.87  131.622  312.824   17.072  317.613   16.653 -4.789307 23.84906 
1 1 1   11   -9    5 o  124.410   9.3156  194.802   28.731  202.293   42.133  188.291   39.281  126.244   13.578  121.814   13.120 4.429810 18.88141 
1 1 1   11   -9    6 o  216.411   9.8910  586.525   53.453  549.634   76.252  622.168   74.952  208.604   14.733  222.188   13.574 -13.58354 20.03242 
1 1 1   11   -9    7 o  255.307   10.570  816.950   67.390  804.089   96.138  829.375   94.492  252.308   15.331  256.352   14.824 -4.044479 21.32592 
1 1 1   11   -9    8 o  438.835   14.761  2424.39  161.759  2476.34  229.269  2372.89  228.256  441.736   20.784  432.288   21.145 9.447723 29.64920 
1 1 1   11   -9    9 o  215.837   13.594  588.458   72.895  619.606  103.835  558.188  102.360  220.298   19.063  208.809   19.870 11.48921 27.53550 
1 1 1   11   -9   10 o  235.183   10.211  693.958   59.968  689.261   85.566  698.492   84.067  233.321   14.762  234.963   14.397 -1.641479 20.62018 
1 1 1   11   -9   11 o  147.465   9.2079  273.734   33.738  253.342   48.347  293.089   47.103  141.090   13.903  152.105   12.512 -11.01497 18.70389 
1 1 1   11   -9   12 o  292.570   16.177  1087.20  117.733   0.0000   0.0000  1087.20  117.733  ?   ?   292.570   16.177 0.000000 16.17730 
1 1 1   11   -9   13 o  201.045   13.964  512.735   69.671  512.735   69.671   0.0000   0.0000  201.045   13.964  ?   ?  0.000000 13.96399 
1 1 1   11   -9   14 o  541.246   17.465  3725.61  236.057  3561.48  333.490  3890.42  334.181  523.819   25.495  548.349   24.405 -24.52979 35.29264 
1 1 1   11   -9   15 o   88.922   10.424  100.740   22.707   66.725   30.149  145.324   34.517   71.048   17.181  106.496   13.267 -35.44767 21.70727 
1 1 1   11   -9   16 o  137.617   14.259  242.096   48.292  209.934   69.228  272.582   67.399  125.737   22.891  144.860   19.097 -19.12369 29.81149 
1 1 1   11   -9   17 o  300.962   11.793  1141.72   88.634  1215.88  124.469  1065.43  126.244  308.897   16.192  288.566   17.603 20.33109 23.91812 
1 1 1   11   -9   18 o  134.403   10.113  228.443   33.692  235.971   45.094  218.932   50.691  135.962   13.459  130.338   15.904 5.623718 20.83432 
1 1 1   11   -9   19 o  326.784   12.174  1348.05   99.346  1403.21  138.716  1289.97  142.346  331.366   16.819  317.125   18.049 14.24088 24.67089 
1 1 1   11   -9   20 o  156.544   10.000  309.609   38.888  281.768   50.720  349.323   60.576  148.494   13.837  165.208   14.842 -16.71347 20.29138 
1 1 1   11   -9   21 o  284.917   15.499  1036.85  109.856  926.972  145.411  1182.96  167.678  266.288   22.066  300.758   22.489 -34.46994 31.50637 
1 1 1   11   -9   22 o  123.781   12.700  196.071   38.700  184.628   42.051  259.404   98.928  119.668   14.359  136.399   29.871 -16.73115 33.14296 
1 1 1   11   -9   23 o  164.693   10.775  344.135   44.069  376.221   56.224  293.016   70.967  171.559   13.226  149.172   19.519 22.38678 23.57791 
1 1 1   11   -9   24 o  224.672   10.710  638.947   60.087  617.328   78.619  669.313   93.175  219.183   14.445  227.284   16.530 -8.100830 21.95185 
1 1 1   11   -9   25 o  100.463   11.792  130.153   29.022  113.464   33.780  177.188   56.710   92.756   15.104  114.250   20.637 -21.49378 25.57310 
1 1 1   11   -9   26 f  108.458   17.468  157.674   45.704  168.870   70.101  149.396   60.276  108.262   26.210  102.731   23.939 5.530861 35.49719 
1 1 1   11   -9   27 o  262.255   13.356  891.580   87.181  968.048  105.928  731.044  153.482  271.417   15.696  223.982   28.056 47.43553 32.14819 
1 1 1   11   -9   28 o   43.555   15.262   22.808   20.503   28.376   22.348  -6.8013   51.537   47.345   15.956   48.260   21.422 -0.9153481 26.71120 
1 1 1   11   -9   29 o  110.544   12.917  161.379   34.984  178.809   41.019  114.866   67.006  115.630   14.526   86.121   27.557 29.50865 31.15169 
1 1 1   11   -9   30 o  208.997   11.709  569.932   60.862  562.778   74.864  583.875  104.521  205.156   14.711  202.303   20.995 2.852509 25.63584 
1 1 1   11   -9   31 o   55.351   18.483   42.088   29.987   42.088   29.987   0.0000   0.0000   55.351   18.483  ?   ?  0.000000 18.48319 
1 1 1   11   -9   32 o   85.079   15.809  101.432   32.351  116.421   36.749   49.813   68.196   90.653   16.854   63.916   26.373 26.73664 31.29815 
1 1 1   11   -9   33 o  137.052   13.490  255.283   45.570  301.833   53.722  135.866   86.045  147.983   14.733   84.463   31.055 63.52010 34.37285 
1 1 1   11   -9   34 o   74.153   25.993   96.664   59.480  159.196   88.545   45.243   80.294   87.422   31.600   61.877   27.130 25.54583 41.64845 
1 1 1   11   -8    0 o  437.633   14.551  2399.83  159.020  2457.69  225.266  2342.35  224.513  442.122   20.403  431.559   20.833 10.56311 29.16002 
1 1 1   11   -8    1 o  682.932   21.306  5870.02  363.349  6049.52  514.290  5691.13  513.418  690.669   29.819  669.586   30.705 21.08276 42.80148 
1 1 1   11   -8    2 o  520.718   24.004  3422.15  312.137  3310.80  441.805  3533.11  441.053  507.993   35.042  525.326   33.800 -17.33298 48.68672 
1 1 1   11   -8    3 o  510.137   23.538  3285.69  299.851  3348.66  425.046  3223.31  423.068  511.099   33.488  501.199   34.004 9.900360 47.72514 
1 1 1   11   -8    4 f  325.075   11.962  1323.56   97.103  1329.08  137.836  1318.12  136.819  324.791   17.054  323.454   16.998 1.336212 24.07884 
1 1 1   11   -8    5 o  520.071   16.908  3400.12  219.587  3392.46  310.884  3407.76  310.203  517.696   24.048  518.894   23.940 -1.197876 33.93219 
1 1 1   11   -8    6 o   74.162   11.612   70.559   20.800   92.677   31.470   53.403   27.716   84.588   15.469   64.038   17.035 20.54929 23.01002 
1 1 1   11   -8    7 o  608.040   19.335  4666.29  293.585  4544.75  415.364  4787.62  415.020  596.624   27.879  612.720   27.124 -16.09576 38.89678 
1 1 1   11   -8    8 o  103.817   9.7034  136.150   24.864  150.544   36.908  124.188   33.645  108.593   13.932   98.438   14.089 10.15507 19.81377 
1 1 1   11   -8    9 o  128.381   9.2497  207.485   29.455  194.161   42.806  219.467   40.593  123.468   14.138  131.625   12.500 -8.156837 18.87182 
1 1 1   11   -8   10 f  219.530   9.9422  604.140   54.504  604.554   77.827  603.742   76.355  218.681   14.331  218.583   14.063 0.9849548E-01 20.07859 
1 1 1   11   -8   11 o  214.222   13.608  580.012   72.418  571.001  102.682  588.929  102.149  211.152   19.701  214.583   19.268 -3.430695 27.55724 
1 1 1   11   -8   12 o  408.772   14.117  2106.79  144.105  2088.72  204.193  2124.71  203.399  404.964   20.192  408.538   19.937 -3.574463 28.37610 
1 1 1   11   -8   13 o  193.223   9.5074  468.406   45.875  473.176   64.891  463.639   64.862  193.272   13.530  191.277   13.669 1.995087 19.23340 
1 1 1   11   -8   14 o  274.800   10.752  949.041   73.780  878.248  104.037  1020.66  104.646  262.875   15.924  283.781   14.818 -20.90622 21.75187 
1 1 1   11   -8   15 o  152.459   9.2141  292.734   34.915  265.323   48.805  321.469   49.970  144.341   13.705  159.208   12.674 -14.86732 18.66645 
1 1 1   11   -8   16 o  441.599   14.674  2467.52  161.813  2393.21  228.396  2542.41  229.283  431.816   21.181  445.391   20.615 -13.57516 29.55656 
1 1 1   11   -8   17 o  452.363   15.000  2592.27  169.449  2442.12  238.828  2744.48  240.453  434.944   22.061  462.384   20.825 -27.44031 30.33729 
1 1 1   11   -8   18 o  218.385   14.574  606.517   79.024  565.822  112.263  646.487  111.258  208.525   21.885  223.697   20.132 -15.17197 29.73684 
1 1 1   11   -8   19 o  199.645   9.7587  500.965   48.652  497.575   66.744  504.810   71.067  197.910   13.587  199.147   14.387 -1.236786 19.78911 
1 1 1   11   -8   20 o  324.096   12.454  1326.33  100.792  1395.73  140.804  1253.40  144.345  330.413   17.124  312.414   18.586 17.99860 25.27172 
1 1 1   11   -8   21 o   44.342   14.390   24.186   18.224   15.383   20.718   54.287   38.310   40.309   15.158   65.316   20.830 -25.00674 25.76163 
1 1 1   11   -8   22 o  144.622   9.8602  264.431   35.398  224.307   44.823  330.926   57.701  132.324   13.766  160.788   14.528 -28.46385 20.01414 
1 1 1   11   -8   23 o  405.418   18.974  2118.96  192.089  1863.61  260.799  2421.74  283.988  372.297   28.263  426.093   26.827 -53.79630 38.96764 
1 1 1   11   -8   24 f  335.083   12.094  1422.88  101.201  1343.79  138.145  1514.49  148.675  322.802   17.200  342.593   17.436 -19.79089 24.49161 
1 1 1   11   -8   25 o   73.915   14.336   72.119   25.507   82.319   29.298   40.184   51.841   78.816   15.438   62.756   23.889 16.05945 28.44315 
1 1 1   11   -8   26 o  125.406   11.282  201.419   34.951  230.777   42.392  139.101   61.763  133.827   12.843   99.426   24.924 34.40050 28.03784 
1 1 1   11   -8   27 o  208.896   11.135  557.703   57.877  557.002   73.454  558.852   93.993  207.240   14.281  205.005   18.562 2.235840 23.41949 
1 1 1   11   -8   28 o  291.720   17.473  1130.87  126.703  1164.95  180.435  1097.72  177.961  286.662   25.471  277.579   25.976 9.083099 36.38021 
1 1 1   11   -8   29 o   55.149   15.429   41.333   22.084   46.540   24.320   16.869   52.718   58.329   16.147   54.375   22.866 3.953606 27.99272 
1 1 1   11   -8   30 o  115.161   12.329  174.120   34.905  197.584   40.915  111.379   66.904  122.099   13.653   84.996   27.572 37.10258 30.76707 
1 1 1   11   -8   31 o   43.162   15.700   21.755   21.907   23.526   23.770   11.772   56.437   44.781   16.344   53.479   23.103 -8.697952 28.29985 
1 1 1   11   -8   32 o  145.596   18.828  299.502   66.850  299.502   66.850   0.0000   0.0000  145.596   18.828  ?   ?  0.000000 18.82775 
1 1 1   11   -8   33 o   75.739   18.097   83.325   33.760   90.037   38.979   63.172   67.540   77.726   19.974   67.232   26.781 10.49408 33.40961 
1 1 1   11   -8   34 o   34.759   15.112   0.7074   24.459   0.7074   24.459   0.0000   0.0000   34.759   15.112  ?   ?  0.000000 15.11222 
1 1 1   11   -7    0 o  206.536   9.5988  533.358   49.507  510.954   70.502  555.151   69.534  201.501   14.100  210.160   13.318 -8.658859 19.39561 
1 1 1   11   -7    1 o  234.503   9.8667  687.675   57.779  722.123   82.314  654.217   81.123  239.735   13.808  228.090   14.315 11.64490 19.88937 
1 1 1   11   -7    2 o  408.241   13.736  2087.39  140.035  2138.23  198.416  2036.94  197.665  412.565   19.259  402.624   19.660 9.941345 27.52123 
1 1 1   11   -7    3 o  440.035   14.403  2426.46  158.272  2566.16  224.401  2288.17  223.264  451.783   19.890  426.448   20.965 25.33517 28.89941 
1 1 1   11   -7    4 o  878.777   38.391  9910.41  842.477 10622.24  1193.13  9202.61  1189.76  897.100   53.503  831.189   57.677 65.91125 78.67162 
1 1 1   11   -7    5 f  520.133   23.994  3417.91  311.656  3394.41  441.456  3441.25  440.043  514.039   34.592  517.737   34.229 -3.698120 48.66435 
1 1 1   11   -7    6 o   64.663   13.082   54.293   20.399   52.006   30.782   56.084   27.238   63.620   18.358   65.560   16.616 -1.939758 24.76071 
1 1 1   11   -7    7 o  377.483   13.224  1786.87  124.653  1735.61  176.657  1837.71  175.917  370.670   19.150  382.036   18.440 -11.36581 26.58499 
1 1 1   11   -7    8 o  114.663   9.4265  165.669   26.752  184.472   39.364  149.529   36.469  120.534   13.299  108.289   13.800 12.24525 19.16519 
1 1 1   11   -7    9 o  322.262   11.854  1302.32   95.392  1309.42  135.504  1295.33  134.313  321.991   16.911  320.261   16.854 1.730011 23.87563 
1 1 1   11   -7   10 o  237.286   10.125  705.516   59.993  696.682   85.504  714.083   84.196  234.896   14.650  237.894   14.238 -2.998398 20.42899 
1 1 1   11   -7   11 o  157.199   12.807  312.537   49.836   0.0000   0.0000  312.537   49.836  ?   ?   157.199   12.807 0.000000 12.80657 
1 1 1   11   -7   12 o  360.981   17.895  1649.66  161.311  1649.66  161.311   0.0000   0.0000  360.981   17.895  ?   ?  0.000000 17.89488 
1 1 1   11   -7   13 o   86.846   13.633   97.243   28.592   95.708   40.349   98.790   40.521   85.138   19.410   86.538   19.248 -1.399200 27.33556 
1 1 1   11   -7   14 o  113.888   9.2748  163.739   26.148  124.839   36.781  203.492   37.182   98.227   15.509  126.651   11.896 -28.42361 19.54607 
1 1 1   11   -7   15 o  191.598   9.3636  460.583   44.801  430.498   63.178  491.013   63.539  184.206   13.836  196.970   12.991 -12.76398 18.97853 
1 1 1   11   -7   16 o  130.247   8.7640  213.713   28.339  156.557   39.206  276.246   41.009  110.372   14.582  147.789   11.195 -37.41684 18.38366 
1 1 1   11   -7   17 o  403.782   13.776  2059.31  138.908  1905.98  195.668  2215.11  197.234  385.333   20.407  416.649   18.957 -31.31592 27.85325 
1 1 1   11   -7   18 o  146.351   9.7085  270.194   35.280  270.727   48.259  269.581   51.705  145.826   13.402  145.290   14.442 0.5356293 19.70294 
1 1 1   11   -7   19 o  320.509   13.857  1298.83  110.905  1242.86  191.971  1326.86  135.874  308.254   25.158  322.544   16.928 -14.29007 30.32344 
1 1 1   11   -7   20 o  266.522   15.699  904.824  104.027  881.177  147.514  928.218  146.721  260.116   22.945  267.372   22.175 -7.256409 31.90935 
1 1 1   11   -7   21 f   79.965   12.181   82.470   23.556   87.518   28.884   72.445   40.706   81.909   14.660   74.015   21.033 7.893768 25.63775 
1 1 1   11   -7   22 o  246.218   10.634  763.427   65.384  770.052   89.233  755.746   96.080  245.952   14.594  243.212   15.907 2.739838 21.58758 
1 1 1   11   -7   23 o  411.709   14.006  2150.12  144.000  2134.48  201.145  2166.56  206.246  407.043   19.789  409.858   20.151 -2.814423 28.24294 
1 1 1   11   -7   24 o  156.175   10.984  309.292   42.563  303.686   54.254  318.263   68.637  153.936   14.276  156.506   17.883 -2.569275 22.88268 
1 1 1   11   -7   25 o  164.222   15.087  347.198   61.177  342.038   70.101  363.683  125.300  162.118   17.598  160.107   32.450 2.011490 36.91520 
1 1 1   11   -7   26 o  222.935   10.762  629.137   59.912  642.911   77.955  609.261   93.642  223.897   14.013  216.355   17.481 7.541626 22.40467 
1 1 1   11   -7   27 o  215.962   10.938  593.659   58.796  601.605   75.333  581.275   94.048  216.087   14.037  210.270   18.087 5.816879 22.89474 
1 1 1   11   -7   28 o  277.390   12.277  985.219   85.042  1028.54  111.558  925.124  131.396  280.615   15.986  262.685   20.185 17.92960 25.74867 
1 1 1   11   -7   29 o  152.589   11.633  300.219   43.993  319.487   53.684  260.822   76.765  156.406   13.889  135.844   23.479 20.56190 27.27925 
1 1 1   11   -7   30 o   41.561   18.326  -5.0951   37.106  -9.8709   55.477  -1.2288   49.915   49.344   22.043   48.800   21.394 0.5437546 30.71838 
1 1 1   11   -7   31 f  131.222   12.149  225.238   39.358  243.408   46.109  176.460   75.548  135.574   13.812  106.085   28.079 29.48916 31.29239 
1 1 1   11   -7   32 o  127.126   12.596  213.182   39.460  208.469   46.138  226.022   76.152  124.238   15.188  121.362   25.915 2.875633 30.03776 
1 1 1   11   -7   33 o   95.772   27.969  150.724   71.070   0.0000   0.0000  150.724   71.070  ?   ?    95.772   27.969 0.000000 27.96911 
1 1 1   11   -7   34 o   53.721   19.000   38.937   31.833   38.937   31.833   0.0000   0.0000   53.721   19.000  ?   ?  0.000000 18.99953 
1 1 1   11   -7   35 o   37.872   15.786   8.7313   24.791  -1.2857   27.085   60.444   61.541   35.718   15.707   64.549   25.611 -28.83110 30.04366 
1 1 1   11   -6    0 o  221.685   9.8252  614.441   54.391  624.961   77.371  604.161   76.479  222.987   13.965  219.222   14.044 3.764801 19.80560 
1 1 1   11   -6    1 o  402.940   13.389  2032.47  134.723  2181.72  191.106  1885.00  189.955  417.001   18.352  386.969   19.723 30.03156 26.94037 
1 1 1   11   -6    2 o  324.079   11.662  1314.03   94.380  1375.59  134.008  1253.45  132.944  331.270   16.199  315.719   16.924 15.55112 23.42738 
1 1 1   11   -6    3 o  633.751   19.732  5045.47  312.280  5213.21  442.036  4878.36  441.225  642.350   27.557  621.139   28.446 21.21118 39.60522 
1 1 1   11   -6    4 o  1041.62   31.412 13768.83  817.068 13824.92  1155.77 13712.79  1155.25  1035.21   44.709  1030.88   44.876 4.331055 63.34642 
1 1 1   11   -6    5 o  654.616   20.416  5390.34  333.746  5490.83  472.359  5290.18  471.619  658.307   28.734  646.002   29.235 12.30548 40.99184 
1 1 1   11   -6    6 o  210.916   9.7329  556.470   51.263  556.908   73.510  556.056   71.524  210.321   14.078  210.205   13.701 0.1156769 19.64396 
1 1 1   11   -6    7 o  481.725   22.531  2929.09  271.043  2905.90  384.152  2952.07  382.477  476.014   32.512  479.954   32.097 -3.939972 45.68617 
1 1 1   11   -6    8 o  558.899   25.517  3960.66  356.138  3608.46  503.567  4313.10  503.744  527.100   38.524  578.377   35.043 -51.27673 52.07809 
1 1 1   11   -6    9 o  247.901   10.312  769.489   63.839  754.752   90.997  783.771   89.584  244.685   14.964  249.443   14.443 -4.757690 20.79775 
1 1 1   11   -6   10 o  595.792   19.043  4480.02  283.315  4270.42  400.692  4689.58  400.645  578.224   27.750  606.560   26.451 -28.33582 38.33665 
1 1 1   11   -6   11 o  285.464   11.162  1021.74   79.565  1012.54  112.948  1030.80  112.102  283.105   16.042  285.709   15.773 -2.603943 22.49796 
1 1 1   11   -6   12 o  393.051   13.440  1942.16  131.912  1822.06  186.563  2062.24  186.541  378.705   19.796  403.790   18.500 -25.08481 27.09504 
1 1 1   11   -6   13 o  396.015   13.454  1973.21  133.047  1861.15  188.131  2085.34  188.182  382.431   19.767  405.709   18.574 -23.27777 27.12462 
1 1 1   11   -6   14 o  119.725   8.9269  180.633   26.498  190.431   37.877  171.242   37.082  122.414   12.569  115.935   13.034 6.479187 18.10746 
1 1 1   11   -6   15 o  384.862   17.994  1880.06  172.936  1526.71  243.063  2242.31  246.102  341.457   28.774  417.193   23.721 -75.73578 37.29079 
1 1 1   11   -6   16 o  254.142   10.013  810.853   63.544  668.024   89.353  957.005   90.386  229.252   15.702  275.557   13.135 -46.30540 20.47201 
1 1 1   11   -6   17 o  199.071   9.5000  497.376   47.226  428.126   66.048  569.818   67.553  183.508   14.532  212.254   12.805 -28.74603 19.36859 
1 1 1   11   -6   18 o  303.225   11.413  1157.02   86.418  1080.77  121.374  1235.42  123.071  291.301   16.756  311.821   15.858 -20.52011 23.06985 
1 1 1   11   -6   19 o   48.167   13.812   29.995   17.473   32.567   21.556   25.068   29.839   50.656   15.550   49.597   18.280 1.058720 23.99901 
1 1 1   11   -6   20 o  278.995   10.532  978.855   73.380  908.872  102.247  1053.18  105.372  267.340   15.381  288.065   14.697 -20.72556 21.27362 
1 1 1   11   -6   21 o  237.389   15.002  716.987   88.478  654.378  125.690  778.485  124.570  224.019   22.785  245.465   20.510 -21.44672 30.65672 
1 1 1   11   -6   22 o  154.930   9.9669  303.027   38.356  295.211   49.774  314.454   60.183  152.275   13.221  156.623   15.595 -4.347794 20.44489 
1 1 1   11   -6   23 o  261.155   11.003  859.274   71.753  857.737   98.278  861.028  105.005  259.433   15.237  259.561   16.283 -0.1284180 22.29972 
1 1 1   11   -6   24 o  376.727   12.887  1795.70  121.233  1761.72  168.238  1832.40  174.853  370.739   18.172  377.910   18.528 -7.171051 25.95226 
1 1 1   11   -6   25 o   75.963   12.902   75.056   23.600   55.055   27.057  138.655   48.247   64.416   16.687  102.069   19.642 -37.65302 25.77310 
1 1 1   11   -6   26 o   91.005   16.354  109.196   35.799  110.512   37.785   97.657  111.892   91.336   17.198   92.032   35.081 -0.6956177 39.06949 
1 1 1   11   -6   27 o  180.039   10.996  412.069   49.200  446.902   62.096  353.321   80.643  186.729   13.406  163.195   20.221 23.53378 24.26163 
1 1 1   11   -6   28 o   56.001   15.401   41.773   22.209   50.455   24.812   6.7733   49.817   61.329   16.024   51.845   22.036 9.483196 27.24646 
1 1 1   11   -6   29 o  230.348   11.130  676.537   64.020  660.187   81.339  703.156  103.784  225.498   14.522  230.284   18.196 -4.786636 23.28021 
1 1 1   11   -6   30 o  171.467   10.807  377.202   46.036  393.245   56.421  345.246   79.629  174.021   13.079  158.604   20.591 15.41753 24.39376 
1 1 1   11   -6   31 o   65.428   21.796   58.600   41.705   71.600   60.742   47.006   57.362   72.449   26.175   64.180   24.946 8.269318 36.15819 
1 1 1   11   -6   32 o  147.693   11.588  283.777   42.396  283.555   49.868  284.355   80.525  146.425   13.801  139.303   24.016 7.122223 27.69865 
1 1 1   11   -6   33 o  150.775   12.528  298.975   46.744  326.840   55.307  229.304   87.454  156.510   14.309  118.807   29.589 37.70222 32.86729 
1 1 1   11   -6   34 o   53.498   17.077   39.375   25.742   44.925   28.563   15.363   59.409   56.715   17.976   54.745   23.677 1.969540 29.72731 
1 1 1   11   -6   35 f  105.546   19.575  162.729   49.693  162.729   49.693   0.0000   0.0000  105.546   19.575  ?   ?  0.000000 19.57472 
1 1 1   11   -6   36 o   32.903   14.600  -3.8108   23.914 -14.9037   25.934   59.216   61.816   31.134   14.356   64.167   25.602 -33.03358 29.35249 
1 1 1   11   -5    0 o  202.421   9.4776  512.210   47.908  512.873   68.218  511.565   67.295  201.970   13.605  201.728   13.436 0.2423401 19.12092 
1 1 1   11   -5    1 o  532.677   17.150  3556.94  228.122  3582.36  322.840  3531.60  322.388  533.522   24.232  529.704   24.372 3.817810 34.36834 
1 1 1   11   -5    2 o  362.603   12.688  1645.34  114.885  1656.35  162.833  1634.43  162.114  363.407   17.943  360.991   17.983 2.416077 25.40394 
1 1 1   11   -5    3 o  457.139   15.043  2617.77  171.730  2574.70  243.022  2660.74  242.706  452.596   21.502  460.149   21.122 -7.553558 30.14094 
1 1 1   11   -5    4 o  805.952   24.751  8185.32  498.142  8101.99  704.519  8268.63  704.440  798.046   35.352  806.366   34.983 -8.320007 49.73526 
1 1 1   11   -5    5 o  572.832   18.181  4118.72  260.071  4151.06  368.109  4086.49  367.483  573.575   25.700  569.059   25.860 4.515442 36.45875 
1 1 1   11   -5    6 o  242.459   10.068  735.278   60.958  772.721   86.947  699.082   85.486  247.951   14.101  235.743   14.593 12.20789 20.29246 
1 1 1   11   -5    7 o  517.883   16.791  3366.49  217.156  3337.95  307.375  3394.93  306.836  514.287   23.934  518.715   23.688 -4.427673 33.67406 
1 1 1   11   -5    8 o  637.452   20.109  5116.16  320.108  4934.15  452.741  5298.11  452.662  623.184   29.093  646.150   28.054 -22.96637 40.41519 
1 1 1   11   -5    9 o  362.721   18.063  1655.10  163.611  1754.92  232.512  1557.19  230.267  371.368   25.222  349.349   26.595 22.01889 36.65249 
1 1 1   11   -5   10 o  335.546   24.755  1435.44  205.964   0.0000   0.0000  1435.44  205.964  ?   ?   335.546   24.755 0.000000 24.75522 
1 1 1   11   -5   11 f  237.555   14.818  711.810   87.467  711.810   87.467   0.0000   0.0000  237.555   14.818  ?   ?  0.000000 14.81836 
1 1 1   11   -5   12 f  378.273   13.285  1797.02  125.494  1696.24  177.597  1897.51  177.355  365.791   19.513  387.696   18.319 -21.90555 26.76453 
1 1 1   11   -5   13 o  134.595   8.9230  227.852   29.821  233.587   42.886  222.484   41.494  135.771   12.800  132.492   12.697 3.279251 18.02926 
1 1 1   11   -5   14 o   82.001   10.223   85.616   20.480  103.617   29.721   69.341   28.260   89.742   13.696   72.741   15.993 17.00092 21.05639 
1 1 1   11   -5   15 o  249.914   9.8217  783.334   61.296  695.448   86.786  870.812   86.585  234.337   14.908  262.695   13.242 -28.35757 19.93963 
1 1 1   11   -5   16 o  142.982   8.9947  257.308   31.952  228.769   44.959  286.435   45.419  134.060   13.619  150.413   12.197 -16.35251 18.28236 
1 1 1   11   -5   17 o  104.227   12.318  138.600   31.441  114.984   41.808  169.342   47.700   93.532   18.555  114.333   17.243 -20.80158 25.32973 
1 1 1   11   -5   18 o   84.854   9.8708   91.599   20.525   50.745   27.401  143.828   30.981   62.259   17.100  106.257   11.879 -43.99865 20.82143 
1 1 1   11   -5   19 o  116.886   9.5745  172.644   27.702  173.302   37.557  171.858   41.024  116.502   13.139  115.729   14.515 0.7725754 19.57819 
1 1 1   11   -5   20 o  107.430   9.7639  146.123   25.908  134.975   34.284  160.964   39.558  102.497   13.740  111.924   14.494 -9.426857 19.97177 
1 1 1   11   -5   21 o  418.681   13.728  2215.00  143.534  2078.38  201.521  2355.68  204.488  402.873   20.031  429.409   19.070 -26.53671 27.65673 
1 1 1   11   -5   22 o  131.026   10.324  217.183   33.505  221.104   43.948  211.741   51.774  131.598   13.568  128.055   16.580 3.542892 21.42375 
1 1 1   11   -5   23 o  125.019   15.093  200.974   46.167  168.238   66.464  231.495   64.177  111.754   24.492  132.988   19.939 -21.23445 31.58249 
1 1 1   11   -5   24 o  100.654   11.560  129.374   28.529  165.543   35.463   63.025   48.030  113.788   12.697   70.878   23.380 42.91040 26.60491 
1 1 1   11   -5   25 o  303.030   11.774  1159.27   89.098  1142.54  122.033  1178.38  130.390  298.872   16.414  303.141   17.296 -4.268646 23.84477 
1 1 1   11   -5   26 o  294.853   12.267  1100.09   90.325  1166.31  123.268  1023.32  132.734  301.601   16.429  281.197   19.014 20.40378 25.12865 
1 1 1   11   -5   27 o  158.898   10.865  320.517   42.852  331.683   53.531  300.595   71.503  160.966   13.440  151.174   19.387 9.791702 23.59050 
1 1 1   11   -5   28 o   36.300   14.288   10.004   19.012   9.8027   19.228   18.798  127.171   36.344   14.349   79.729   34.561 -43.38517 37.42152 
1 1 1   11   -5   29 o  149.777   11.272  286.803   41.852  280.055   51.074  300.596   73.019  147.041   14.082  149.760   20.027 -2.718918 24.48185 
1 1 1   11   -5   30 o   62.820   15.129   53.179   23.449   63.717   26.146   9.8541   53.014   68.722   15.593   53.588   22.754 15.13349 27.58396 
1 1 1   11   -5   31 o   60.463   15.469   49.673   23.452   63.829   26.170  -8.0587   52.849   68.527   15.638   48.935   21.709 19.59213 26.75483 
1 1 1   11   -5   32 o   94.394   15.457  120.119   35.174  126.759   42.244  105.113   63.510   95.683   18.347   83.913   26.827 11.76955 32.50066 
1 1 1   11   -5   33 o  131.283   26.942  262.665   85.364  262.665   85.364   0.0000   0.0000  131.283   26.942  ?   ?  0.000000 26.94158 
1 1 1   11   -5   34 f   49.596   16.356   32.526   23.508   24.031   25.635   77.448   58.946   45.724   16.926   72.722   25.840 -26.99817 30.88978 
1 1 1   11   -5   35 o   39.146   15.468   13.662   22.363   5.6370   24.170   61.386   58.941   36.797   15.479   66.690   25.452 -29.89295 29.78907 
1 1 1   11   -5   36 o   86.662   16.129  105.670   33.620  115.012   38.553   76.015   68.690   89.398   17.894   70.651   27.344 18.74748 32.67831 
1 1 1   11   -5   37 f   60.950   20.722   55.511   37.698   55.511   37.698   0.0000   0.0000   60.950   20.722  ?   ?  0.000000 20.72211 
1 1 1   11   -4    0 o  419.651   14.008  2204.38  146.796  2181.33  207.707  2227.39  207.494  416.914   19.950  421.317   19.722 -4.403107 28.05298 
1 1 1   11   -4    1 o  233.701   9.9907  682.815   58.305  683.640   82.837  682.005   82.080  233.249   14.291  232.982   14.175 0.2676849 20.12863 
1 1 1   11   -4    2 o  787.393   24.185  7801.01  475.546  7830.21  672.643  7771.82  672.405  785.829   34.277  782.852   34.395 2.976624 48.55896 
1 1 1   11   -4    3 o  205.238   9.6256  526.601   49.333  510.404   70.215  542.392   69.327  201.428   14.047  207.738   13.436 -6.310059 19.43828 
1 1 1   11   -4    4 o  346.357   12.332  1501.05  106.664  1560.68  151.378  1442.25  150.319  352.816   17.182  338.648   17.838 14.16818 24.76702 
1 1 1   11   -4    5 o  192.799   9.6197  464.750   46.314  444.823   66.091  483.977   64.921  187.941   14.187  196.175   13.331 -8.233627 19.46771 
1 1 1   11   -4    6 o  569.997   17.959  4076.94  255.632  4160.60  361.857  3993.59  361.181  574.426   25.226  562.674   25.705 11.75262 36.01539 
1 1 1   11   -4    7 o  643.325   20.163  5202.56  323.915  5137.53  458.191  5267.53  457.981  637.063   28.801  645.187   28.426 -8.124146 40.46649 
1 1 1   11   -4    8 o  292.672   11.179  1071.95   81.704  1073.16  116.186  1070.77  114.918  292.059   15.991  291.753   15.833 0.3059998 22.50318 
1 1 1   11   -4    9 o  376.704   13.007  1777.91  122.357  1808.54  173.966  1747.92  172.128  379.291   18.367  372.865   18.486 6.426575 26.05939 
1 1 1   11   -4   10 o  215.810   11.203  584.729   60.168  560.175   73.647  634.008  104.336  210.878   14.066  223.666   18.856 -12.78799 23.52461 
1 1 1   11   -4   11 o  337.346   17.486  1435.73  146.796  1356.58  208.263  1513.89  206.945  325.902   25.801  344.840   24.185 -18.93866 35.36388 
1 1 1   11   -4   12 o  614.141   27.828  4814.16  426.780  4536.96  603.423  5091.60  603.692  587.249   41.413  624.075   38.931 -36.82574 56.83947 
1 1 1   11   -4   13 o  353.315   12.476  1566.56  110.078  1540.30  156.014  1592.60  155.335  348.947   17.965  355.368   17.504 -6.421448 25.08263 
1 1 1   11   -4   14 f  254.790   10.373  813.801   66.000  726.043   93.575  900.679   93.104  239.541   15.731  267.252   13.999 -27.71054 21.05799 
1 1 1   11   -4   15 o   89.305   9.7975  101.166   21.491  103.735   30.617   98.672   30.173   89.714   14.134   87.414   14.318 2.300133 20.11931 
1 1 1   11   -4   16 o  268.318   10.350  903.377   69.351  783.565   97.883  1024.15   98.274  248.582   15.851  285.144   13.801 -36.56178 21.01737 
1 1 1   11   -4   17 o  441.392   14.245  2457.41  157.010  2232.06  221.672  2684.29  222.422  417.551   21.331  459.344   19.390 -41.79343 28.82675 
1 1 1   11   -4   18 o   94.031   12.329  113.149   28.252   77.382   36.726  164.992   44.217   76.503   19.242  113.086   16.114 -36.58270 25.09807 
1 1 1   11   -4   19 o   84.559   13.140   92.212   26.846   75.511   33.665  121.381   44.491   75.595   18.077   95.980   19.233 -20.38556 26.39502 
1 1 1   11   -4   20 o  124.253   8.8905  194.639   27.404  150.268   36.936  248.970   40.872  108.216   13.996  140.155   11.787 -31.93942 18.29821 
1 1 1   11   -4   21 o  418.090   13.992  2208.54  146.080  2066.09  205.488  2354.09  207.706  401.156   20.582  429.333   19.373 -28.17679 28.26561 
1 1 1   11   -4   22 o  137.137   9.0439  237.036   30.797  187.930   39.949  308.978   48.353  121.284   13.415  156.055   12.513 -34.77084 18.34484 
1 1 1   11   -4   23 o  173.538   10.270  379.922   44.306  405.753   59.585  347.979   66.261  178.722   13.449  164.743   16.321 13.97897 21.14882 
1 1 1   11   -4   24 f  188.281   12.357  449.155   57.775  399.279   96.725  476.821   72.038  174.422   22.748  193.355   15.038 -18.93297 27.26941 
1 1 1   11   -4   25 f  390.714   19.812  1965.66  192.674  1977.92  273.363  1953.55  271.609  385.717   28.584  383.328   28.580 2.389191 40.42072 
1 1 1   11   -4   26 o  287.020   11.778  1040.04   84.420  1086.25  115.215  986.456  124.052  291.614   15.881  276.950   18.035 14.66452 24.03109 
1 1 1   11   -4   27 o  308.030   11.763  1199.49   90.485  1201.08  122.684  1197.59  133.993  306.198   16.101  304.968   17.670 1.230652 23.90589 
1 1 1   11   -4   28 o  132.258   10.755  222.468   35.214  203.517   42.546  263.686   62.747  125.715   13.778  141.865   18.126 -16.14935 22.76861 
1 1 1   11   -4   29 o   76.208   13.736   76.341   25.178   67.276   28.398  109.658   54.442   70.877   16.374   88.999   23.963 -18.12225 29.02320 
1 1 1   11   -4   30 o   81.035   17.411   88.656   34.183   92.277   34.972   11.182  161.775   82.684   17.484   84.763   37.771 -2.078621 41.62101 
1 1 1   11   -4   31 o   45.928   15.293   26.309   20.532   28.045   22.471   17.536   50.518   47.530   16.000   54.541   22.617 -7.011505 27.70446 
1 1 1   11   -4   32 o   98.336   26.093  142.936   65.133   0.0000   0.0000  142.936   65.133  ?   ?    98.336   26.093 0.000000 26.09281 
1 1 1   11   -4   33 o  176.188   11.765  402.205   51.465  399.735   60.970  408.326   95.983  174.260   14.133  169.026   23.365 5.233292 27.30640 
1 1 1   11   -4   34 o   55.427   21.473   33.653   42.396   98.431   64.926 -14.5002   55.978   80.684   27.196   48.216   21.790 32.46783 34.84829 
1 1 1   11   -4   35 o   44.588   16.267   23.306   23.544   30.130   25.967  -8.2236   55.815   48.847   17.172   48.978   21.979 -0.1303635 27.89126 
1 1 1   11   -4   36 o  119.913   13.273  192.309   39.078  188.865   45.555  201.903   76.037  117.136   15.992  111.660   27.460 5.476326 31.77742 
1 1 1   11   -4   37 o   34.656   14.988   1.0751   23.803  -5.1452   25.815   36.375   61.498   33.937   15.108   59.195   24.784 -25.25824 29.02599 
1 1 1   11   -3    0 o  709.106   30.754  6352.51  544.577  7106.66  771.402  5603.25  768.900  745.329   41.612  659.325   47.008 86.00348 62.78006 
1 1 1   11   -3    1 o  251.799   14.486  796.350   90.702  767.025  127.848  826.068  128.701  246.290   20.987  255.757   20.319 -9.466339 29.21170 
1 1 1   11   -3    2 f  339.777   12.282  1444.26  104.213  1426.54  147.630  1461.86  147.131  336.890   17.610  341.082   17.331 -4.192017 24.70749 
1 1 1   11   -3    3 o  352.650   12.376  1555.87  108.991  1612.85  154.497  1499.42  153.779  358.714   17.247  345.362   17.892 13.35187 24.85147 
1 1 1   11   -3    4 o  786.843   24.236  7790.76  476.211  7748.32  673.586  7833.18  673.343  781.586   34.512  785.926   34.309 -4.340271 48.66352 
1 1 1   11   -3    5 o  236.978   10.053  702.168   59.494  761.760   84.749  644.265   83.539  246.290   13.836  226.327   14.864 19.96303 20.30645 
1 1 1   11   -3    6 o  540.495   17.378  3663.40  234.548  3569.18  331.786  3757.52  331.615  532.278   24.961  546.266   24.310 -13.98810 34.84296 
1 1 1   11   -3    7 o  353.162   12.519  1561.00  110.406  1611.96  156.362  1510.33  155.914  358.476   17.467  346.470   18.083 12.00638 25.14166 
1 1 1   11   -3    8 o  426.878   14.218  2282.78  151.567  2354.30  214.759  2211.82  213.939  432.833   19.869  419.455   20.425 13.37851 28.49473 
1 1 1   11   -3    9 o  335.078   13.626  1406.57  114.019  1662.50  201.723  1286.42  138.215  362.593   22.388  319.648   17.381 42.94452 28.34276 
1 1 1   11   -3   10 o  186.608   10.935  437.318   50.733  406.878   62.708  494.990   86.315  179.615   14.094  197.717   17.668 -18.10280 22.60098 
1 1 1   11   -3   11 o  151.208   9.1225  287.046   34.285  270.133   49.437  302.718   47.588  146.146   13.706  154.948   12.403 -8.802063 18.48476 
1 1 1   11   -3   12 o  271.919   10.737  925.908   72.908  834.811  103.408  1015.95  102.809  257.223   16.181  284.124   14.539 -26.90131 21.75344 
1 1 1   11   -3   13 o  446.014   21.216  2515.94  236.299  2291.21  334.279  2740.40  334.075  421.100   32.029  462.048   29.103 -40.94772 43.27589 
1 1 1   11   -3   14 o  143.917   13.405  262.344   47.621  201.956   68.866  317.682   65.923  124.209   23.051  157.879   16.988 -33.67023 28.63496 
1 1 1   11   -3   15 o  265.462   10.566  883.541   70.041  821.644   99.298  944.830   98.809  254.894   15.676  273.638   14.512 -18.74391 21.36206 
1 1 1   11   -3   16 f  113.830   9.1806  163.399   25.874  175.428   37.003  151.889   36.195  117.446   12.825  109.051   13.586 8.395012 18.68316 
1 1 1   11   -3   17 o  433.135   14.247  2364.46  154.102  2207.35  217.781  2522.01  218.085  415.716   21.047  445.484   19.604 -29.76791 28.76259 
1 1 1   11   -3   18 o  125.970   8.8963  199.898   27.805  166.277   38.818  235.327   39.847  114.026   13.922  136.307   11.824 -22.28098 18.26500 
1 1 1   11   -3   19 o  137.937   8.8819  239.535   30.431  190.045   42.214  293.078   43.908  121.939   14.125  152.226   11.639 -30.28698 18.30234 
1 1 1   11   -3   20 o   78.314   13.972   79.670   26.322   82.033   32.826   75.417   44.051   78.932   17.145   75.859   21.981 3.073013 27.87695 
1 1 1   11   -3   21 o  215.015   12.648  584.572   67.613  468.527   91.244  725.894  100.692  190.707   19.431  238.540   17.015 -47.83298 25.82798 
1 1 1   11   -3   22 o  283.104   10.614  1007.51   75.040  899.645  104.425  1122.69  107.905  265.988   15.792  297.980   14.501 -31.99130 21.44013 
1 1 1   11   -3   23 o  148.037   9.8146  276.460   36.076  263.055   47.914  294.007   54.819  143.720   13.509  151.762   14.647 -8.041916 19.92555 
1 1 1   11   -3   24 o   87.767   11.918   98.796   25.445  111.135   31.667   76.319   42.742   92.729   14.122   76.006   21.536 16.72282 25.75330 
1 1 1   11   -3   25 o  112.361   10.830  160.340   30.011  163.366   37.410  154.876   50.266  112.898   13.540  108.495   19.259 4.403542 23.54176 
1 1 1   11   -3   26 o  203.792   14.781  529.501   74.709  529.126  107.053  529.857  104.309  201.391   21.625  201.771   21.010 -0.3792572 30.15090 
1 1 1   11   -3   27 o  247.889   11.091  774.880   68.659  773.663   90.638  776.518  105.173  246.330   14.803  245.886   17.237 0.4436340 22.72156 
1 1 1   11   -3   28 o   79.412   13.452   82.149   25.725   87.627   29.948   66.731   50.240   81.661   15.247   72.387   23.913 9.273903 28.36029 
1 1 1   11   -3   29 o   76.784   13.417   77.105   24.789   83.205   28.235   56.588   51.783   79.507   14.765   68.575   24.235 10.93215 28.37798 
1 1 1   11   -3   30 o  196.813   10.678  492.135   52.283  490.153   65.772  495.537   86.172  195.391   13.564  194.497   17.944 0.8936615 22.49402 
1 1 1   11   -3   31 o  322.802   19.233  1379.18  154.333  1304.37  188.768  1530.00  268.025  308.298   24.727  321.927   33.847 -13.62799 41.91732 
1 1 1   11   -3   32 o  148.081   11.852  282.513   43.458  313.120   52.869  218.745   76.311  155.120   13.792  123.414   25.601 31.70525 29.07948 
1 1 1   11   -3   33 o   61.874   15.762   52.222   24.421   50.818   27.137   58.201   56.006   60.954   17.122   67.845   25.037 -6.890934 30.33163 
1 1 1   11   -3   34 o  117.804   12.587  181.806   36.455  185.024   42.469  172.796   71.062  117.850   14.754  106.757   26.719 11.09373 30.52203 
1 1 1   11   -3   35 f   48.680   16.426   30.523   23.686   28.577   26.114   39.555   56.261   48.311   17.195   61.054   24.403 -12.74257 29.85263 
1 1 1   11   -3   36 o   58.943   22.412   42.770   45.597   53.132   70.353   35.264   59.874   66.981   27.105   60.188   24.758 6.792568 36.71073 
1 1 1   11   -3   37 o   39.007   15.888   11.041   24.356   9.3675   26.741   19.189   58.997   39.635   16.447   55.274   23.749 -15.63888 28.88785 
1 1 1   11   -3   38 o  151.790   13.064  309.356   49.037  347.231   58.285  217.584   90.725  159.307   14.821  108.812   31.550 50.49416 34.85824 
1 1 1   11   -2    0 o  201.110   13.292  508.294   66.377  573.058   93.577  442.711   94.167  213.091   17.747  186.705   20.537 26.38611 27.14235 
1 1 1   11   -2    1 o  979.080   42.332 12234.70  1034.98 11465.12  1462.09 13007.67  1465.30  933.694   63.077  997.813   59.070 -64.11884 86.41727 
1 1 1   11   -2    2 f  685.521   30.320  5934.97  519.044  5838.10  733.707  6032.02  734.370  674.444   43.801  685.892   43.094 -11.44788 61.44645 
1 1 1   11   -2    3 o  352.927   17.502  1561.23  154.251  1443.54  217.499  1680.33  218.794  337.606   25.999  364.724   24.159 -27.11737 35.49092 
1 1 1   11   -2    4 o  745.567   32.788  7036.34  610.460  6906.93  862.850  7166.02  863.793  731.843   47.470  745.917   46.607 -14.07373 66.52508 
1 1 1   11   -2    5 o  277.371   15.127  966.329  104.381  856.706  146.983  1077.86  148.259  260.068   22.865  292.309   20.440 -32.24124 30.66866 
1 1 1   11   -2    6 o  463.063   15.335  2685.88  177.331  2543.00  250.823  2828.67  250.743  449.776   22.332  474.530   21.160 -24.75366 30.76439 
1 1 1   11   -2    7 o  476.039   15.588  2839.24  185.298  2866.63  262.214  2811.92  261.889  477.518   21.990  472.911   22.176 4.606415 31.23016 
1 1 1   11   -2    8 o  659.111   29.327  5494.54  482.694   0.0000   0.0000  5494.54  482.694  ?   ?   659.111   29.327 0.000000 29.32666 
1 1 1   11   -2    9 o  436.551   19.882  2394.82  216.738  2394.82  216.738   0.0000   0.0000  436.551   19.882  ?   ?  0.000000 19.88152 
1 1 1   11   -2   10 o  493.895   15.596  3059.00  192.353  3076.90  272.497  3041.22  271.562  494.262   22.078  491.377   22.131 2.884369 31.26042 
1 1 1   11   -2   11 o  173.329   9.0208  376.738   38.910  359.644   55.933  392.768   54.163  168.892   13.371  176.663   12.355 -7.770844 18.20568 
1 1 1   11   -2   12 o  195.286   9.4583  477.130   46.125  434.321   66.005  517.988   64.483  185.528   14.359  202.909   12.792 -17.38048 19.22996 
1 1 1   11   -2   13 o  336.310   11.826  1417.24   99.316  1470.05  141.326  1365.73  139.599  341.935   16.551  329.080   17.046 12.85550 23.75930 
1 1 1   11   -2   14 o  371.263   12.800  1729.19  118.673  1640.91  168.080  1816.94  167.578  360.215   18.750  379.755   17.671 -19.54028 25.76507 
1 1 1   11   -2   15 o  132.048   13.265  221.147   43.149  214.456   63.161  227.002   59.085  128.673   20.332  132.898   18.288 -4.225418 27.34694 
1 1 1   11   -2   16 o  181.828   13.521  417.892   60.952  359.446   87.681  472.548   84.791  166.911   21.539  192.598   17.832 -25.68636 27.96252 
1 1 1   11   -2   17 f  161.202   8.8705  326.516   35.571  324.035   50.687  328.922   49.930  160.043   12.790  161.300   12.493 -1.257614 17.87896 
1 1 1   11   -2   18 o   73.714   10.643   69.590   19.024   76.105   26.752   62.925   27.059   76.460   14.542   69.222   15.978 7.237892 21.60469 
1 1 1   11   -2   19 o  245.010   9.9972  753.283   61.166  669.306   86.151  838.645   86.858  229.738   15.101  257.637   13.548 -27.89838 20.28758 
1 1 1   11   -2   20 o  100.048   9.1729  126.577   22.662   92.064   30.708  167.855   33.583   84.111   15.178  114.919   11.874 -30.80807 19.27102 
1 1 1   11   -2   21 o  148.888   8.6769  278.872   32.121  248.616   44.036  313.274   46.956  139.917   12.743  157.317   12.044 -17.39990 17.53419 
1 1 1   11   -2   22 o  337.579   16.200  1444.46  136.570  1241.54  189.575  1663.40  196.911  309.016   24.775  359.365   22.049 -50.34964 33.16573 
1 1 1   11   -2   23 o  385.453   13.236  1874.47  127.406  1751.51  178.701  2001.57  181.695  369.928   19.412  396.420   18.354 -26.49136 26.71549 
1 1 1   11   -2   24 o  323.286   12.012  1316.61   96.974  1300.22  135.306  1333.93  139.057  319.415   17.025  323.443   17.279 -4.027527 24.25703 
1 1 1   11   -2   25 o  108.744   10.464  150.042   28.063  147.112   35.473  154.943   45.880  107.086   13.570  109.050   17.436 -1.963829 22.09379 
1 1 1   11   -2   26 o  100.623   10.523  128.736   26.052  111.804   31.514  165.281   46.298   93.011   14.002  112.767   16.967 -19.75600 21.99833 
1 1 1   11   -2   27 o  243.501   10.879  746.802   66.153  742.595   88.893  752.023   99.035  241.490   14.812  242.477   16.453 -0.9866638 22.13821 
1 1 1   11   -2   28 o  163.805   14.905  343.784   60.303  298.547   87.297  385.071   83.400  149.438   24.222  171.846   19.796 -22.40898 31.28302 
1 1 1   11   -2   29 o  111.770   11.545  159.558   31.759  166.606   38.262  143.944   56.948  113.720   13.753  103.041   22.741 10.67901 26.57605 
1 1 1   11   -2   30 o  166.956   10.522  353.703   43.645  361.707   54.144  338.850   73.751  168.143   12.996  160.648   18.736 7.494919 22.80191 
1 1 1   11   -2   31 o  140.308   14.006  254.540   48.417  319.650   64.754  171.986   72.914  156.254   16.863  110.199   26.763 46.05482 31.63203 
1 1 1   11   -2   32 o   81.892   15.803   89.705   31.147   94.995   31.539 -118.8250  198.013   84.415   15.534   78.960   37.438 5.454407 40.53267 
1 1 1   11   -2   33 o   71.518   18.317   70.424   32.856   70.424   32.856   0.0000   0.0000   71.518   18.317  ?   ?  0.000000 18.31678 
1 1 1   11   -2   34 o  114.768   12.414  171.820   35.010  178.577   40.828  153.049   68.049  116.208   14.376  101.206   26.583 15.00170 30.22119 
1 1 1   11   -2   35 o   98.101   12.888  126.979   30.809  110.160   35.226  181.709   63.543   89.858   16.299  111.640   23.534 -21.78189 28.62712 
1 1 1   11   -2   36 o   50.121   16.655   32.894   24.356   31.165   26.981   40.506   56.610   49.830   17.505   61.344   24.493 -11.51480 30.10484 
1 1 1   11   -2   37 o   67.038   23.306   64.297   47.769   71.098   74.472   59.543   62.266   71.964   28.293   67.195   26.026 4.769455 38.44300 
1 1 1   11   -2   38 o   71.993   17.462   74.285   31.070   83.155   35.268   43.542   65.661   75.593   18.769   62.540   25.847 13.05359 31.94336 
1 1 1   11   -1    0 o  539.977   16.476  3652.71  222.160  3721.80  314.395  3583.80  313.967  544.184   23.136  533.938   23.547 10.24646 33.01111 
1 1 1   11   -1    1 o  430.222   14.162  2316.73  152.151  2323.49  215.290  2309.99  215.058  430.319   20.035  429.063   20.072 1.256226 28.35951 
1 1 1   11   -1    2 o  589.917   18.643  4363.76  274.630  4275.77  388.437  4451.71  388.335  582.632   26.698  594.604   26.153 -11.97107 37.37342 
1 1 1   11   -1    3 o  333.377   11.914  1390.13   99.181  1444.26  140.586  1336.49  139.943  339.526   16.581  326.117   17.245 13.40912 23.92365 
1 1 1   11   -1    4 o  331.617   12.034  1375.57   99.658  1365.66  141.158  1385.41  140.717  329.664   17.206  332.069   17.027 -2.404083 24.20690 
1 1 1   11   -1    5 o  637.021   19.701  5091.79  313.399  5161.80  443.447  5021.93  442.980  639.838   27.754  631.029   28.111 8.808044 39.50348 
1 1 1   11   -1    6 o  186.775   12.964  438.613   60.093  440.237   84.441  436.946   85.537  186.472   18.373  185.720   18.698 0.7513123 26.21367 
1 1 1   11   -1    7 o  153.293   12.502  295.969   47.442  313.041   67.007  278.809   67.180  157.072   17.374  147.939   18.596 9.132629 25.44911 
1 1 1   11   -1    8 o  484.207   22.415  2948.20  271.033  2845.69  383.289  3050.72  383.309  472.772   32.666  489.905   31.499 -17.13376 45.37893 
1 1 1   11   -1    9 o  419.562   14.086  2204.49  147.581  2162.35  208.906  2246.47  208.515  414.886   20.164  422.931   19.743 -8.045685 28.22004 
1 1 1   11   -1   10 o  546.188   17.470  3743.35  238.280  3733.57  337.187  3753.11  336.771  544.104   24.816  545.546   24.720 -1.442749 35.02774 
1 1 1   11   -1   11 o  353.362   12.286  1563.31  108.415  1558.46  153.818  1568.09  152.830  352.323   17.483  353.429   17.316 -1.105164 24.60707 
1 1 1   11   -1   12 o  427.066   14.154  2286.50  150.944  2295.43  213.936  2277.65  213.000  427.029   20.062  425.373   20.052 1.655792 28.36497 
1 1 1   11   -1   13 o  357.888   12.722  1605.16  113.699  1561.21  161.220  1648.65  160.373  351.775   18.417  362.074   17.737 -10.29889 25.56926 
1 1 1   11   -1   14 o  155.260   8.9927  302.619   34.716  282.218   49.975  321.647   48.262  149.382   13.544  159.733   12.191 -10.35080 18.22296 
1 1 1   11   -1   15 o  345.561   12.284  1497.63  106.003  1403.22  150.222  1591.27  149.603  333.143   18.125  355.504   16.852 -22.36160 24.74903 
1 1 1   11   -1   16 o  390.145   13.349  1911.99  130.053  1771.59  183.980  2052.22  183.864  373.707   19.785  403.146   18.263 -29.43915 26.92592 
1 1 1   11   -1   17 o  267.729   15.367  905.989  102.310  821.734  145.362  988.699  144.023  252.917   23.277  278.333   20.873 -25.41634 31.26507 
1 1 1   11   -1   18 o  186.408   13.586  439.568   62.809  459.299   91.691  422.123   86.213  189.254   19.690  181.443   19.325 7.811859 27.58858 
1 1 1   11   -1   19 o  147.126   8.9394  272.276   32.688  245.876   45.965  299.290   46.495  139.116   13.397  153.811   12.205 -14.69527 18.12307 
1 1 1   11   -1   20 o  136.447   8.8098  234.329   29.858  204.948   41.595  265.560   42.884  126.874   13.328  144.834   11.964 -17.96004 17.91009 
1 1 1   11   -1   21 o  225.616   9.8236  638.816   55.347  614.106   77.615  664.382   78.947  220.160   14.193  229.104   13.864 -8.943558 19.84102 
1 1 1   11   -1   22 o  291.759   10.713  1069.59   78.056  969.783  109.496  1172.71  111.301  276.319   15.936  304.670   14.629 -28.35089 21.63266 
1 1 1   11   -1   23 o  206.814   9.5307  536.835   49.222  509.547   67.913  567.032   71.441  200.495   13.646  211.562   13.594 -11.06671 19.26160 
1 1 1   11   -1   24 o  278.039   15.414  981.697  106.603  946.241  145.287  1023.05  156.901  270.753   21.670  281.223   22.531 -10.47095 31.26085 
1 1 1   11   -1   25 o  330.459   12.188  1376.00  100.575  1337.88  140.298  1416.31  144.253  323.881   17.410  333.270   17.393 -9.389648 24.61010 
1 1 1   11   -1   26 o  124.762   10.113  196.898   31.237  190.072   39.543  208.228   50.945  122.007   13.189  127.029   16.446 -5.021927 21.08118 
1 1 1   11   -1   27 o  264.154   10.986  878.479   72.469  818.734   98.311  949.575  107.245  253.497   15.606  273.004   15.799 -19.50639 22.20691 
1 1 1   11   -1   28 o  217.045   10.664  593.209   57.799  580.894   76.268  609.825   88.589  213.583   14.383  218.240   16.375 -4.657211 21.79476 
1 1 1   11   -1   29 o  123.547   15.061  196.917   45.504  279.694   72.577  143.299   58.411  145.841   20.494  102.912   23.274 42.92850 31.01096 
1 1 1   11   -1   30 o  192.045   14.986  473.323   71.302  511.109  103.725  439.472   98.176  196.915   21.440  182.181   22.027 14.73395 30.73902 
1 1 1   11   -1   31 o  141.724   20.354  267.432   69.969   0.0000   0.0000  267.432   69.969  ?   ?   141.724   20.354 0.000000 20.35435 
1 1 1   11   -1   32 o  108.362   12.254  151.469   32.578  160.248   37.634  125.222   65.072  111.011   13.879   94.070   26.545 16.94097 29.95398 
1 1 1   11   -1   33 o   64.773   15.178   56.456   24.121   51.472   26.949   76.532   54.089   61.726   16.961   75.066   24.813 -13.33985 30.05574 
1 1 1   11   -1   34 o  105.065   17.824  149.721   45.093  149.721   45.093   0.0000   0.0000  105.065   17.824  ?   ?  0.000000 17.82388 
1 1 1   11   -1   35 o  198.975   12.127  512.506   59.971  518.374   71.829  499.004  108.960  198.561   14.588  187.291   23.837 11.26984 27.94703 
1 1 1   11   -1   36 o   73.250   15.904   73.656   28.258   83.381   32.153   40.656   59.230   77.596   17.058   62.510   25.020 15.08589 30.28136 
1 1 1   11   -1   37 o  104.649   13.635  145.920   34.786  143.917   40.176  151.919   69.527  102.636   16.214   98.432   27.320 4.204506 31.76902 
1 1 1   11   -1   38 o  107.950   13.957  156.653   36.744  150.092   42.591  175.749   72.663  103.922   17.000  104.625   27.463 -0.7029343 32.29904 
1 1 1   11   -1   39 o   61.197   23.244   50.297   49.014   19.552   76.593   71.619   63.785   59.701   26.327   69.565   26.494 -9.864063 37.34997 
1 1 1   11    0    0 o  199.638   9.0712  498.132   45.223  503.307   63.974  492.962   63.936  200.159   12.867  198.070   12.998 2.088409 18.29007 
1 1 1   11    0    1 f  402.942   13.651  2031.88  137.356  2021.95  194.294  2041.79  194.208  401.492   19.379  403.467   19.276 -1.974640 27.33299 
1 1 1   11    0    2 o  597.920   18.844  4483.26  281.357  4493.47  398.009  4473.06  397.788  597.299   26.684  595.933   26.730 1.366638 37.76963 
1 1 1   11    0    3 o  625.939   19.503  4914.88  304.847  4905.21  431.166  4924.55  431.072  623.851   27.677  625.093   27.616 -1.241028 39.09755 
1 1 1   11    0    4 o  626.784   19.688  4928.70  308.151  4834.04  435.783  5023.38  435.800  619.189   28.184  631.315   27.643 -12.12616 39.47743 
1 1 1   11    0    5 o  162.226   9.0386  329.953   36.471  333.700   51.769  326.261   51.388  162.811   12.837  160.968   12.892 1.842331 18.19367 
1 1 1   11    0    6 o  1000.60   30.375 12647.28  758.976 12776.71  1073.58 12517.96  1073.13  999.912   42.995  989.505   43.429 10.40656 61.11229 
1 1 1   11    0    7 o  517.251   23.645  3364.91  305.419   0.0000   0.0000  3364.91  305.419  ?   ?   517.251   23.645 0.000000 23.64524 
1 1 1   11    0    8 o  368.158   18.011  1699.76  165.582  1699.76  165.582   0.0000   0.0000  368.158   18.011  ?   ?  0.000000 18.01063 
1 1 1   11    0    9 o  346.596   17.460  1510.17  150.634  1444.88  212.872  1575.66  213.184  337.701   25.429  352.941   24.337 -15.24005 35.19851 
1 1 1   11    0   10 o  463.303   21.595  2699.05  249.848  2643.86  353.193  2754.33  353.483  455.783   31.220  465.425   30.584 -9.642059 43.70401 
1 1 1   11    0   11 o  133.775   12.191  225.839   40.278  237.501   57.551  214.643   56.390  136.513   17.268  129.564   17.907 6.948334 24.87701 
1 1 1   11    0   12 o  449.432   14.921  2532.38  167.461  2460.90  237.051  2603.58  236.600  442.077   21.473  454.825   20.832 -12.74744 29.91726 
1 1 1   11    0   13 o  514.225   16.311  3319.85  209.449  3411.25  296.708  3229.07  295.706  519.882   22.855  505.674   23.417 14.20834 32.72169 
1 1 1   11    0   14 o  352.579   12.229  1557.60  107.671  1569.57  152.875  1545.81  151.671  353.309   17.327  350.625   17.322 2.684235 24.50112 
1 1 1   11    0   15 o  268.115   10.613  900.258   71.055  851.738  101.032  947.743   99.949  259.871   15.642  274.339   14.642 -14.46756 21.42568 
1 1 1   11    0   16 o  139.404   8.7968  244.177   30.466  208.720   43.829  277.325   42.379  128.173   13.917  148.290   11.535 -20.11700 18.07604 
1 1 1   11    0   17 o  568.511   18.136  4081.85  257.473  3947.82  364.199  4215.77  364.045  555.657   26.247  574.649   25.369 -18.99200 36.50330 
1 1 1   11    0   18 o  212.131   9.5809  563.898   50.753  514.688   72.011  612.469   71.543  201.708   14.391  220.359   13.059 -18.65082 19.43301 
1 1 1   11    0   19 o  136.697   13.598  237.468   45.800  142.547   66.146  324.888   63.479  103.372   25.727  159.610   16.149 -56.23853 30.37495 
1 1 1   11    0   20 o  237.812   14.681  716.011   86.761  665.391  123.882  764.742  121.548  227.220   22.113  244.367   20.097 -17.14691 29.88080 
1 1 1   11    0   21 o  191.634   9.3911  460.569   44.940  444.394   63.196  477.117   63.921  187.304   13.604  194.179   13.261 -6.875305 18.99840 
1 1 1   11    0   22 o  183.382   9.1249  421.743   41.786  400.634   58.227  444.158   60.003  177.831   13.206  187.349   12.904 -9.518066 18.46397 
1 1 1   11    0   23 f  139.478   9.1901  245.080   31.830  220.081   43.369  274.271   46.863  131.452   13.399  146.988   12.898 -15.53564 18.59793 
1 1 1   11    0   24 o  151.682   9.2990  289.755   35.053  260.797   47.046  325.891   52.554  143.204   13.308  160.223   13.254 -17.01955 18.78221 
1 1 1   11    0   25 o  153.130   9.9377  295.707   37.796  287.655   50.526  305.937   56.952  150.369   13.603  154.831   14.914 -4.461487 20.18612 
1 1 1   11    0   26 o  144.506   13.829  266.129   49.293  273.819   59.828  249.873   86.982  145.933   16.719  136.463   26.480 9.470062 31.31626 
1 1 1   11    0   27 o  214.871   10.142  580.333   54.421  548.137   73.008  620.591   81.638  207.709   14.160  220.874   14.888 -13.16533 20.54651 
1 1 1   11    0   28 o  182.413   9.7549  419.382   44.274  369.547   57.215  493.763   69.899  170.434   13.555  196.965   14.309 -26.53123 19.71022 
1 1 1   11    0   29 o  153.981   10.421  299.840   39.835  274.277   50.225  343.194   65.408  146.503   13.895  163.388   16.246 -16.88464 21.37764 
1 1 1   11    0   30 o  111.849   11.727  159.743   32.268  147.720   38.957  186.019   57.592  106.737   15.032  118.483   20.189 -11.74634 25.17022 
1 1 1   11    0   31 o  194.493   15.296  486.483   73.693  496.263  106.350  477.450  102.208  193.301   22.450  189.798   21.971 3.503494 31.41219 
1 1 1   11    0   32 o  109.867   11.936  155.059   32.220  180.894   38.335   92.894   59.466  118.420   13.187   82.628   25.904 35.79143 29.06785 
1 1 1   11    0   33 o   46.694   15.085   27.528   20.041   30.316   22.006   13.971   48.522   48.907   15.808   53.158   22.115 -4.251339 27.18376 
1 1 1   11    0   34 o   44.167   15.280   23.328   20.520   19.391   22.507   42.720   49.952   42.839   15.859   62.070   23.492 -19.23027 28.34422 
1 1 1   11    0   35 o  154.342   12.013  307.901   45.934  325.473   54.940  267.091   83.725  157.720   14.098  135.924   25.606 21.79584 29.23053 
1 1 1   11    0   36 o  112.595   18.385  174.016   49.908  174.016   49.908   0.0000   0.0000  112.595   18.385  ?   ?  0.000000 18.38486 
1 1 1   11    0   37 o   56.649   16.761   43.927   25.375   41.849   28.227   52.681   57.935   55.748   17.891   65.603   25.187 -9.855095 30.89430 
1 1 1   11    0   38 o  113.330   13.866  171.378   38.424  190.958   45.010  118.772   73.779  118.769   15.550   86.400   28.991 32.36897 32.89815 
1 1 1   11    0   39 o   46.185   17.170   24.826   26.437   42.450   29.498 -47.1175   59.598   55.565   18.322   43.707   20.669 11.85819 27.62061 
1 1 1   11    0   40 o   44.664   20.144  -8.3411   47.568 -10.6791   77.602  -6.9339   60.204   54.685   25.074   49.833   22.552 4.851746 33.72403 
1 1 1   11    1    0 o  623.988   19.590  4884.54  305.252  4794.86  431.617  4974.27  431.766  616.716   28.026  628.256   27.521 -11.53979 39.27921 
1 1 1   11    1    1 o  898.149   27.055 10162.77  606.805 10440.16  858.580  9885.94  857.726  906.426   37.931  881.618   38.960 24.80841 54.37512 
1 1 1   11    1    2 o  587.339   18.224  4324.78  267.284  4408.76  378.145  4240.94  377.848  591.849   25.586  580.387   26.070 11.46185 36.52800 
1 1 1   11    1    3 o  587.645   18.528  4329.86  271.889  4242.44  384.373  4417.40  384.645  580.409   26.520  592.354   26.003 -11.94519 37.14112 
1 1 1   11    1    4 o  1613.41   49.174 33467.82  1981.22 33660.57  2802.16 33275.15  2801.58  1594.10   70.392  1584.41   70.808 9.691284 99.84438 
1 1 1   11    1    5 o  584.213   18.465  4279.43  269.384  4390.63  381.265  4168.58  380.669  590.568   25.853  575.321   26.496 15.24628 37.01919 
1 1 1   11    1    6 o  621.326   19.515  4843.04  302.789  4969.08  428.503  4717.35  427.914  627.933   27.327  611.677   28.015 16.25623 39.13530 
1 1 1   11    1    7 f  434.069   14.543  2358.87  157.643  2343.33  223.026  2374.38  222.857  432.047   20.672  434.917   20.520 -2.869537 29.12675 
1 1 1   11    1    8 o  247.232   10.178  764.216   62.836  790.358   88.971  738.200   88.757  250.859   14.262  242.364   14.735 8.494919 20.50638 
1 1 1   11    1    9 o  479.888   15.650  2884.99  187.545  2912.97  265.434  2857.10  265.024  481.419   22.079  476.754   22.261 4.665283 31.35332 
1 1 1   11    1   10 o  397.005   13.516  1973.11  133.997  1889.11  189.644  2056.85  189.359  387.407   19.667  404.855   18.730 -17.44861 27.15909 
1 1 1   11    1   11 f  393.213   13.492  1935.95  132.486  1918.91  187.665  1952.89  187.063  390.914   19.224  394.387   18.994 -3.473053 27.02484 
1 1 1   11    1   12 o  252.350   14.334  800.430   89.957  883.229  127.786  719.086  126.658  264.411   19.491  238.098   21.535 26.31264 29.04581 
1 1 1   11    1   13 o  402.648   19.357  2038.73  194.633  2009.16  275.345  2068.26  275.161  397.263   27.933  403.209   27.492 -5.945953 39.19263 
1 1 1   11    1   14 o  429.386   14.515  2312.46  155.640  2218.38  220.334  2406.15  219.882  418.992   21.126  437.089   20.145 -18.09683 29.19167 
1 1 1   11    1   15 o  358.167   12.438  1607.77  111.247  1625.66  157.885  1590.14  156.775  359.479   17.588  355.520   17.659 3.959381 24.92340 
1 1 1   11    1   16 o  228.720   9.7236  654.891   55.537  626.034   79.328  682.630   77.777  222.830   14.332  232.856   13.433 -10.02573 19.64307 
1 1 1   11    1   17 o  496.832   16.234  3107.90  201.408  3085.58  285.125  3130.12  284.544  492.926   23.163  496.548   22.948 -3.622070 32.60574 
1 1 1   11    1   18 o  408.805   13.810  2101.10  140.976  2118.86  199.708  2083.45  199.034  409.122   19.548  405.660   19.648 3.461700 27.71538 
1 1 1   11    1   19 o  412.033   13.996  2136.67  144.003  2002.15  203.607  2271.31  203.695  396.504   20.635  423.317   19.269 -26.81311 28.23282 
1 1 1   11    1   20 o  268.711   10.489  906.003   70.384  856.513   99.628  955.313   99.448  260.089   15.408  274.932   14.537 -14.84348 21.18309 
1 1 1   11    1   21 o  313.812   16.910  1250.00  132.027  1100.75  187.408  1397.06  186.029  291.142   26.052  329.692   22.734 -38.54947 34.57713 
1 1 1   11    1   22 o  344.853   14.051  1499.78  120.998  1484.52  148.034  1530.50  210.020  341.766   17.403  344.055   24.607 -2.288818 30.13914 
1 1 1   11    1   23 o  277.387   10.793  966.663   74.765  894.809  105.015  1040.52  106.466  265.464   15.915  286.609   14.927 -21.14505 21.81975 
1 1 1   11    1   24 o  220.436   9.6010  609.801   52.850  566.220   73.362  656.820   76.202  211.368   13.978  227.836   13.453 -16.46823 19.40018 
1 1 1   11    1   25 o  208.737   9.4547  546.796   49.283  487.965   67.658  613.295   71.932  196.137   13.904  220.167   13.143 -24.02979 19.13273 
1 1 1   11    1   26 o   83.802   11.004   89.795   22.472   84.403   27.799   99.963   38.173   80.565   14.343   87.081   18.143 -6.516441 23.12793 
1 1 1   11    1   27 o   58.559   15.678   44.966   23.382   43.689   24.736   55.684   71.670   57.905   16.375   74.519   28.155 -16.61428 32.57050 
1 1 1   11    1   28 o   80.870   16.084   85.850   31.338   93.941   33.644   32.822   86.132   84.593   16.519   73.095   29.838 11.49836 34.10532 
1 1 1   11    1   29 f  260.071   11.362  852.247   73.793  874.927   99.757  824.838  109.663  262.118   15.307  253.750   17.412 8.367767 23.18331 
1 1 1   11    1   30 o  197.061   17.422  500.105   84.850   0.0000   0.0000  500.105   84.850  ?   ?   197.061   17.422 0.000000 17.42191 
1 1 1   11    1   31 o  126.870   13.468  206.495   42.018  211.570   43.645  142.233  155.307  128.343   13.837  107.999   41.291 20.34348 43.54809 
1 1 1   11    1   32 o  286.322   12.010  1039.75   85.871  1049.98  112.875  1025.70  132.306  285.665   15.886  280.564   18.996 5.101654 24.76311 
1 1 1   11    1   33 o  110.829   17.727  163.094   47.409  104.092   70.428  211.981   64.109   87.051   28.292  125.215   21.263 -38.16422 35.39125 
1 1 1   11    1   34 o   92.422   13.151  111.521   29.497  117.280   34.407   95.552   57.294   94.193   15.141   82.691   25.346 11.50117 29.52375 
1 1 1   11    1   35 o   58.148   15.562   45.634   23.042   43.166   25.848   55.189   50.854   56.799   16.942   66.430   23.957 -9.631084 29.34246 
1 1 1   11    1   36 o  222.841   12.459  642.277   69.054  646.333   83.857  633.734  121.710  221.660   15.242  212.505   23.319 9.155518 27.85840 
1 1 1   11    1   37 o   99.141   13.957  130.521   33.598  160.382   39.080   45.926   65.778  109.768   14.621   65.854   26.363 43.91477 30.14618 
1 1 1   11    1   38 o  112.921   19.032  177.834   51.759  177.834   51.759   0.0000   0.0000  112.921   19.032  ?   ?  0.000000 19.03181 
1 1 1   11    1   39 o   42.990   16.469   19.036   24.738   11.272   27.313   54.492   58.368   40.950   16.769   65.351   25.230 -24.40161 30.29426 
1 1 1   11    1   40 o   88.173   16.275  108.429   34.515   92.214   39.770  157.909   69.472   79.151   20.087   98.416   27.307 -19.26516 33.89933 
1 1 1   11    2    0 o  1088.79   33.086 15002.35  899.584 15043.83  1272.28 14960.88  1272.13  1082.92   47.048  1079.85   47.175 3.068115 66.62572 
1 1 1   11    2    1 o  301.293   10.975  1135.13   82.576  1084.74  116.709  1185.64  116.851  293.856   15.964  307.713   15.207 -13.85660 22.04783 
1 1 1   11    2    2 o  901.260   26.781 10231.55  602.729 10430.88  852.649 10032.45  852.128  906.117   37.682  888.344   38.413 17.77283 53.80950 
1 1 1   11    2    3 o  1179.92   35.175 17646.89  1036.44 17877.73  1466.07 17416.26  1465.41  1178.79   49.805  1163.02   50.457 15.76624 70.89701 
1 1 1   11    2    4 o  682.314   21.072  5844.47  359.031  5896.27  507.910  5792.73  507.583  683.496   29.758  677.407   30.006 6.088562 42.25964 
1 1 1   11    2    5 o  407.247   13.669  2075.54  139.014  2082.89  196.684  2068.22  196.506  407.501   19.328  406.058   19.379 1.442444 27.37027 
1 1 1   11    2    6 o  558.819   25.108  3929.44  350.372   0.0000   0.0000  3929.44  350.372  ?   ?   558.819   25.108 0.000000 25.10773 
1 1 1   11    2    7 o  322.866   16.899  1309.75  135.776  1309.75  135.776   0.0000   0.0000  322.866   16.899  ?   ?  0.000000 16.89908 
1 1 1   11    2    8 o  399.069   13.300  1992.95  132.546  1968.53  187.530  2017.32  187.366  396.156   18.956  401.059   18.708 -4.903015 26.63340 
1 1 1   11    2    9 o  326.570   11.650  1333.98   95.010  1358.67  134.650  1309.50  134.081  329.292   16.375  322.829   16.689 6.462830 23.38067 
1 1 1   11    2   10 o  443.490   14.440  2462.83  159.917  2533.58  226.519  2392.53  225.797  449.200   20.194  436.454   20.717 12.74673 28.93064 
1 1 1   11    2   11 o  325.767   11.814  1327.77   96.104  1300.80  136.260  1354.46  135.566  321.643   17.025  328.285   16.590 -6.641724 23.77182 
1 1 1   11    2   12 o  624.333   19.655  4896.81  306.430  4927.87  433.596  4865.83  433.118  624.402   27.808  620.419   27.956 3.983521 39.43106 
1 1 1   11    2   13 o  587.572   18.553  4336.86  272.223  4386.93  385.297  4286.94  384.666  589.191   26.187  582.367   26.451 6.823792 37.22104 
1 1 1   11    2   14 o  616.019   22.581  4786.13  347.360  4531.61  425.482  5294.76  601.491  597.639   28.510  641.177   37.733 -43.53809 47.29236 
1 1 1   11    2   15 o  258.718   14.503  842.289   93.324  899.051  132.377  786.203  131.587  266.406   20.045  248.769   21.390 17.63712 29.31464 
1 1 1   11    2   16 o  159.569   8.9757  319.578   35.621  297.882   51.591  339.344   49.242  153.502   13.600  164.109   12.101 -10.60716 18.20397 
1 1 1   11    2   17 o  315.062   11.636  1244.30   91.545  1213.78  130.069  1274.26  128.868  310.057   16.862  317.826   16.292 -7.768829 23.44701 
1 1 1   11    2   18 o  276.970   10.690  961.481   73.935  938.725  105.086  983.786  104.041  272.672   15.497  279.261   14.974 -6.589661 21.54935 
1 1 1   11    2   19 o  365.375   12.883  1677.33  117.547  1655.78  166.499  1698.74  165.975  361.366   18.513  366.578   18.131 -5.212494 25.91260 
1 1 1   11    2   20 o  456.481   15.016  2626.51  171.165  2463.75  242.034  2789.35  242.093  439.166   22.141  468.437   20.696 -29.27109 30.30738 
1 1 1   11    2   21 o  277.956   10.989  970.007   76.274  1061.11  108.168  879.910  107.569  289.649   15.006  263.342   16.440 26.30786 22.25864 
1 1 1   11    2   22 o  325.123   11.930  1328.99   96.860  1248.69  136.900  1409.49  137.062  313.419   17.562  333.790   16.443 -20.37097 24.05866 
1 1 1   11    2   23 o  207.778   14.021  546.865   72.326  569.820  104.674  525.893  100.051  210.544   20.155  202.217   20.079 8.327408 28.44946 
1 1 1   11    2   24 o  130.231   11.411  214.833   36.735  244.872   44.593  151.408   64.797  138.822   13.015  106.344   24.848 32.47866 28.05022 
1 1 1   11    2   25 o  111.876   9.5026  158.170   26.297  154.053   34.472  163.902   40.670  109.857   12.806  112.971   14.770 -3.113579 19.54863 
1 1 1   11    2   26 o   83.906   10.101   89.668   20.740   64.734   25.402  139.526   35.920   70.260   14.938  104.192   14.173 -33.93270 20.59159 
1 1 1   11    2   27 f   97.129   10.951  120.102   26.097  135.617   32.548   92.171   43.672  102.922   12.951   83.245   21.008 19.67612 24.67893 
1 1 1   11    2   28 o  252.228   11.361  800.757   71.558  846.381   98.201  749.105  104.487  258.040   15.308  242.068   17.401 15.97134 23.17638 
1 1 1   11    2   29 o   62.781   16.329   51.931   25.841   53.079   26.940   38.714   91.391   63.475   16.752   75.949   30.838 -12.47366 35.09398 
1 1 1   11    2   30 f  248.946   11.436  781.202   71.095  744.371   95.073  827.926  107.082  241.465   15.855  254.315   16.959 -12.84976 23.21597 
1 1 1   11    2   31 o  183.903   12.205  429.308   55.731  451.650   67.223  380.200   99.665  188.048   14.425  168.931   24.327 19.11787 28.28237 
1 1 1   11    2   32 o  348.946   13.269  1546.53  115.620  1555.91  155.937  1535.09  172.308  347.086   18.054  343.330   20.186 3.756104 27.08173 
1 1 1   11    2   33 o  104.329   11.938  139.861   30.542  125.436   35.580  180.255   59.541   97.909   15.033  115.516   21.430 -17.60664 26.17653 
1 1 1   11    2   34 f   50.527   19.725   22.451   35.984   13.297   56.844   28.572   46.483   56.536   23.758   56.841   22.351 -0.3046417 32.61928 
1 1 1   11    2   35 o   89.228   13.458  104.452   29.055  123.853   34.153   53.619   55.282   96.949   14.557   67.207   24.860 29.74110 28.80851 
1 1 1   11    2   36 o  160.449   11.979  332.050   47.651  361.857   57.743  268.425   84.364  166.574   14.012  136.639   25.667 29.93600 29.24290 
1 1 1   11    2   37 o   62.520   15.910   53.422   24.901   55.517   28.314   46.269   52.314   63.527   17.356   63.087   24.002 0.4392242 29.61937 
1 1 1   11    2   38 o  200.538   12.378  522.651   61.682  535.844   75.010  495.099  108.397  201.210   15.037  185.679   23.935 15.53076 28.26682 
1 1 1   11    2   39 o   40.153   16.861   6.8114   28.597   6.8114   28.597   0.0000   0.0000   40.153   16.861  ?   ?  0.000000 16.86110 
1 1 1   11    2   40 o   51.884   17.933   35.208   28.263   32.163   31.938   46.197   60.683   51.364   18.915   63.170   25.310 -11.80648 31.59705 
1 1 1   11    2   41 o   83.966   17.240  100.124   34.938  116.253   40.431   52.567   69.426   89.782   18.643   65.395   26.752 24.38695 32.60744 
1 1 1   11    3    0 o  237.841   9.6606  707.125   57.377  661.584   81.072  752.828   81.216  229.462   14.219  244.917   13.329 -15.45534 19.48945 
1 1 1   11    3    1 o  639.414   20.033  5130.31  319.879  5073.52  452.311  5187.12  452.442  634.245   28.558  641.375   28.249 -7.130371 40.16920 
1 1 1   11    3    2 o  617.842   19.321  4788.25  298.089  4844.76  421.667  4731.79  421.457  620.072   27.232  612.736   27.544 7.336182 38.73308 
1 1 1   11    3    3 o  225.109   9.5896  633.427   53.907  634.833   76.124  632.014   76.348  224.819   13.624  224.310   13.696 0.5089874 19.31775 
1 1 1   11    3    4 o  892.571   27.297 10038.23  608.429 10073.79  860.560 10002.68  860.336  890.083   38.717  886.882   38.846 3.200867 54.84561 
1 1 1   11    3    5 o  312.426   13.110  1221.32  102.281  1361.23  177.543  1151.82  125.131  328.522   21.765  302.762   16.614 25.76050 27.38132 
1 1 1   11    3    6 o  441.474   20.790  2446.43  229.198  2446.43  229.198   0.0000   0.0000  441.474   20.790  ?   ?  0.000000 20.79002 
1 1 1   11    3    7 o  533.259   17.014  3563.30  226.571  3542.80  320.490  3583.78  320.350  530.756   24.181  533.840   24.030 -3.084595 34.09061 
1 1 1   11    3    8 o  225.075   9.8119  633.286   55.148  601.577   78.117  664.791   77.865  218.747   14.381  230.076   13.613 -11.32956 19.80209 
1 1 1   11    3    9 o  565.340   17.980  4007.28  253.835  4024.32  359.102  3990.27  358.852  565.365   25.435  562.952   25.527 2.413086 36.03564 
1 1 1   11    3   10 o  455.020   14.216  2592.13  161.534  2637.88  228.702  2546.58  228.186  458.415   19.978  450.374   20.289 8.040680 28.47435 
1 1 1   11    3   11 o  318.447   11.592  1268.58   92.180  1270.34  130.656  1266.83  130.069  317.934   16.514  317.501   16.462 0.4331970 23.31701 
1 1 1   11    3   12 o  481.149   15.536  2901.12  186.671  2934.88  264.317  2867.52  263.669  483.071   21.911  477.463   22.114 5.607971 31.13081 
1 1 1   11    3   13 o  638.141   20.052  5118.52  319.543  5044.41  452.014  5192.55  451.792  631.323   28.671  640.654   28.240 -9.331665 40.24360 
1 1 1   11    3   14 o  203.733   9.3192  519.091   47.412  549.995   67.854  489.608   66.275  209.144   13.057  197.226   13.539 11.91794 18.80930 
1 1 1   11    3   15 o  253.577   10.279  804.641   65.092  787.692   92.576  821.214   91.542  250.153   14.887  255.503   14.406 -5.350006 20.71621 
1 1 1   11    3   16 o  174.354   8.9876  381.297   38.998  380.669   56.086  381.885   54.263  173.776   13.019  174.113   12.565 -0.3364563 18.09329 
1 1 1   11    3   17 o  447.620   21.040  2531.71  235.185  2572.54  332.883  2491.02  332.320  447.576   29.956  440.210   30.417 7.366119 42.69171 
1 1 1   11    3   18 o  157.271   12.025  312.002   46.870  347.813   66.820  277.317   65.761  165.424   16.391  147.176   18.287 18.24815 24.55795 
1 1 1   11    3   19 o  274.169   10.460  942.176   71.614  926.615  101.891  957.368  100.675  270.916   15.121  275.474   14.688 -4.557159 21.08052 
1 1 1   11    3   20 o  145.870   8.4972  267.334   30.818  291.535   44.456  244.943   42.760  151.933   11.810  139.091   12.442 12.84229 17.15485 
1 1 1   11    3   21 o  304.150   11.545  1161.77   87.685  1163.04  124.210  1160.50  123.801  302.976   16.479  302.654   16.442 0.3213196 23.27888 
1 1 1   11    3   22 o  481.863   15.923  2933.66  191.605  3021.83  271.118  2845.69  270.822  486.295   22.326  471.580   22.997 14.71481 32.05186 
1 1 1   11    3   23 o  104.100   9.4041  136.993   24.183  140.624   33.327  132.955   35.144  104.907   13.000  101.728   14.223 3.178871 19.26927 
1 1 1   11    3   24 o  190.283   9.6157  455.392   45.543  485.572   63.865  424.164   64.964  195.904   13.131  182.798   14.347 13.10638 19.44853 
1 1 1   11    3   25 o  359.766   18.541  1649.96  166.009  1533.77  235.781  1764.18  233.776  342.469   27.810  368.704   25.548 -26.23492 37.76385 
1 1 1   11    3   26 o   90.886   12.288  105.838   27.174  160.215   35.467   28.541   42.286  112.042   12.913   56.328   21.543 55.71372 25.11696 
1 1 1   11    3   27 o   60.708   13.050   48.220   19.196   49.460   23.082   45.438   34.566   61.339   15.157   60.678   19.825 0.6610298 24.95530 
1 1 1   11    3   28 o  289.082   12.136  1052.64   87.607  1141.21  121.721  957.445  126.190  299.514   16.336  273.506   18.586 26.00836 24.74496 
1 1 1   11    3   29 o  173.949   10.446  381.751   45.167  340.726   59.608  437.066   69.215  163.430   14.765  185.174   15.100 -21.74460 21.11893 
1 1 1   11    3   30 o  145.461   12.991  269.281   46.692  296.685   50.628  113.275  120.795  152.645   13.418   98.980   36.721 53.66479 39.09602 
1 1 1   11    3   31 o   57.428   16.322   43.099   24.513   42.056   25.028   67.648  121.454   56.877   16.594   89.168   35.779 -32.29139 39.43947 
1 1 1   11    3   32 o  152.786   10.447  295.604   39.620  286.327   48.915  313.301   67.556  149.727   13.218  155.343   17.733 -5.615997 22.11719 
1 1 1   11    3   33 o  203.174   10.717  523.018   54.183  468.751   68.222  615.727   89.170  191.185   14.395  218.414   16.470 -27.22847 21.87433 
1 1 1   11    3   34 o   96.539   12.355  120.395   29.102  110.588   33.720  149.017   57.609   91.664   15.268  104.131   22.787 -12.46660 27.42966 
1 1 1   11    3   35 o   53.713   15.605   38.167   22.174   40.908   24.944   27.840   48.419   55.667   16.651   57.179   22.708 -1.511757 28.15850 
1 1 1   11    3   36 o  151.149   16.018  301.001   59.540  258.088   88.792  336.062   80.258  133.325   27.579  157.007   20.996 -23.68202 34.66169 
1 1 1   11    3   37 o  101.802   12.946  135.700   32.166  137.125   37.843  131.989   61.058  101.391   15.434   95.073   25.281 6.317513 29.61934 
1 1 1   11    3   38 o  146.671   12.654  280.173   45.892  298.464   55.431  240.314   81.826  150.204   14.978  127.278   26.601 22.92573 30.52818 
1 1 1   11    3   39 o   46.880   16.755   26.302   24.817   33.837   28.143  -0.0420   52.624   51.658   17.893   50.036   21.951 1.621628 28.31922 
1 1 1   11    3   40 o  142.052   18.531  279.874   64.170  260.778   99.473  293.485   83.981  125.397   31.738  140.253   24.890 -14.85667 40.33368 
1 1 1   11    3   41 o   92.791   21.343  127.282   48.424  127.282   48.424   0.0000   0.0000   92.791   21.343  ?   ?  0.000000 21.34286 
1 1 1   11    4    0 o  404.338   13.629  2046.05  137.608  2096.80  194.735  1995.42  194.480  408.870   19.073  398.819   19.528 10.05017 27.29630 
1 1 1   11    4    1 o  225.094   9.5938  633.352   53.927  636.224   76.354  630.493   76.175  225.061   13.650  224.037   13.681 1.023254 19.32629 
1 1 1   11    4    2 o  1372.91   41.751 24044.15  1431.40 23921.88  2024.19 24166.45  2024.41  1354.36   59.850  1361.57   59.540 -7.205444 84.42207 
1 1 1   11    4    3 o  881.335   26.961  9785.62  593.363  9677.41  839.052  9893.88  839.232  872.415   38.514  882.292   38.091 -9.876953 54.16830 
1 1 1   11    4    4 o  926.188   28.225 10815.70  652.808 10729.88  923.148 10901.55  923.273  917.903   40.274  925.360   39.955 -7.456543 56.73070 
1 1 1   11    4    5 o  676.576   20.808  5745.86  351.561  5840.40  497.430  5651.51  496.934  680.359   29.278  669.157   29.739 11.20270 41.73237 
1 1 1   11    4    6 o  1017.65   30.822 13081.66  783.267 13145.53  1107.79 13017.81  1107.62  1014.22   43.740  1009.17   43.952 5.051758 62.00754 
1 1 1   11    4    7 o  302.235   11.240  1142.32   84.835  1120.93  119.965  1163.72  119.985  298.713   16.142  304.411   15.839 -5.698151 22.61494 
1 1 1   11    4    8 o  440.363   14.572  2427.69  160.242  2385.94  226.607  2469.45  226.626  435.960   20.815  443.564   20.460 -7.604675 29.18685 
1 1 1   11    4    9 o  138.816   8.7425  241.790   30.151  234.334   42.734  249.182   42.547  136.267   12.705  140.605   12.240 -4.337875 17.64144 
1 1 1   11    4   10 o  301.097   11.208  1133.84   84.269  1203.61  119.571  1064.98  118.782  309.993   15.446  291.079   16.408 18.91434 22.53488 
1 1 1   11    4   11 o  462.769   15.124  2682.34  174.771  2773.91  247.519  2591.30  246.811  469.906   21.093  454.085   21.766 15.82016 30.30984 
1 1 1   11    4   12 o  369.059   12.245  1704.37  112.855  1788.03  160.083  1621.71  159.123  377.628   16.976  359.567   17.722 18.06033 24.54042 
1 1 1   11    4   13 o  757.927   23.456  7235.23  443.942  7230.27  628.031  7240.18  627.628  754.341   33.340  754.875   33.295 -0.5341797 47.11775 
1 1 1   11    4   14 o  848.000   26.068  9086.24  552.020  9004.43  780.748  9168.02  780.601  839.006   37.264  846.783   36.915 -7.776245 52.45358 
1 1 1   11    4   15 o  377.294   13.110  1783.43  123.516  1787.58  175.071  1779.31  174.286  377.087   18.592  376.219   18.551 0.8684082 26.26409 
1 1 1   11    4   16 o  372.925   13.005  1743.02  121.111  1752.18  171.730  1733.95  170.827  373.198   18.427  371.251   18.426 1.946533 26.05924 
1 1 1   11    4   17 f  327.190   11.865  1341.44   96.944  1353.32  137.614  1329.74  136.590  327.613   16.878  324.735   16.902 2.878479 23.88642 
1 1 1   11    4   18 o  475.474   15.568  2842.57  184.850  2799.02  261.823  2885.85  261.014  470.097   22.303  477.457   21.892 -7.360168 31.25192 
1 1 1   11    4   19 o  291.511   15.568  1072.53  112.921  977.849  159.581  1167.48  159.808  276.437   23.335  302.810   21.269 -26.37369 31.57359 
1 1 1   11    4   20 o  196.694   12.901  488.116   63.018  497.565   88.924  478.583   89.320  197.592   18.227  193.652   18.703 3.940491 26.11593 
1 1 1   11    4   21 o  244.212   10.214  747.888   62.291  748.650   88.562  747.142   87.630  243.355   14.641  243.137   14.499 0.2178345 20.60549 
1 1 1   11    4   22 o  247.153   9.8341  766.032   60.695  831.523   86.293  701.911   85.386  256.660   13.511  235.531   14.589 21.12932 19.88469 
1 1 1   11    4   23 o  165.332   9.1425  343.699   37.599  354.915   53.077  332.401   53.271  167.466   12.789  161.949   13.289 5.517380 18.44335 
1 1 1   11    4   24 f  299.712   11.552  1129.09   86.461  1107.42  122.001  1150.95  122.548  295.329   16.610  301.169   16.356 -5.840271 23.31134 
1 1 1   11    4   25 o  665.973   21.149  5667.05  351.721  5833.44  497.444  5500.72  497.373  668.198   29.812  647.956   30.739 20.24200 42.82072 
1 1 1   11    4   26 o  162.537   9.7609  332.723   39.435  340.412   54.082  323.994   57.624  163.807   13.337  159.523   14.628 4.284302 19.79547 
1 1 1   11    4   27 o  195.090   14.107  482.882   68.264  501.920   99.449  465.919   93.871  197.224   20.492  190.070   20.081 7.153748 28.69103 
1 1 1   11    4   28 o  436.276   15.056  2407.67  164.026  2521.16  230.705  2291.67  233.251  443.831   20.816  421.902   22.218 21.92856 30.44515 
1 1 1   11    4   29 o  128.184   17.170  212.326   53.579   0.0000   0.0000  212.326   53.579  ?   ?   128.184   17.170 0.000000 17.16983 
1 1 1   11    4   30 o   68.266   14.133   61.060   23.299   68.121   26.302   35.327   50.208   72.026   15.106   61.549   23.490 10.47714 27.92804 
1 1 1   11    4   31 o  141.058   12.040  252.764   42.006  274.346   53.315  217.437   68.210  146.387   14.787  128.113   22.121 18.27461 26.60806 
1 1 1   11    4   32 o  229.822   11.043  665.985   63.377  674.815   82.553  653.310   98.904  230.117   14.439  225.258   17.726 4.859695 22.86245 
1 1 1   11    4   33 o   59.886   17.398   47.065   27.565   53.067   27.997 -142.6184  157.400   63.265   17.248   70.783   33.508 -7.517815 37.68633 
1 1 1   11    4   34 o   74.154   14.254   72.456   25.436   80.265   29.270   48.364   51.411   77.816   15.606   65.487   24.016 12.32903 28.64080 
1 1 1   11    4   35 o  116.696   11.674  174.780   33.563  183.435   39.854  153.673   62.239  118.999   13.659  104.997   24.230 14.00195 27.81457 
1 1 1   11    4   36 o   84.982   13.621   94.955   27.929  104.646   32.581   68.104   54.234   88.788   15.244   72.126   24.847 16.66250 29.15021 
1 1 1   11    4   37 o  134.540   12.118  233.927   40.275  214.415   48.255  278.725   73.118  127.409   15.485  142.376   21.213 -14.96708 26.26369 
1 1 1   11    4   38 o   61.917   21.682   49.362   41.379  117.613   69.747   12.292   51.403   88.892   28.081   53.034   22.455 35.85791 35.95495 
1 1 1   11    4   39 o   61.876   16.810   52.695   26.650   52.872   30.733   52.159   53.512   61.958   18.472   65.006   24.377 -3.048637 30.58474 
1 1 1   11    4   40 o  189.310   12.653  468.180   59.473  492.779   72.677  418.313  103.476  192.347   15.256  168.316   25.410 24.03094 29.63776 
1 1 1   11    4   41 o  102.510   15.285  142.779   37.932  164.351   45.490   93.553   68.718  108.944   17.299   78.281   27.891 30.66356 32.81995 
1 1 1   11    4   42 o   38.128   17.138  -9.0890   34.083  -9.0890   34.083   0.0000   0.0000   38.128   17.138  ?   ?  0.000000 17.13752 
1 1 1   11    5    0 o  844.416   25.892  8977.66  545.968  8904.94  772.007  9050.42  772.224  837.398   36.918  844.322   36.626 -6.924255 52.00362 
1 1 1   11    5    1 o  594.171   18.704  4427.29  277.519  4405.04  392.458  4449.55  392.485  591.365   26.576  594.371   26.443 -3.005981 37.49025 
1 1 1   11    5    2 o  318.569   11.593  1269.27   92.229  1265.02  130.397  1273.53  130.466  317.336   16.512  318.411   16.464 -1.074768 23.31787 
1 1 1   11    5    3 o  795.979   24.500  7969.78  486.986  7992.05  688.768  7947.51  688.635  794.133   34.732  791.886   34.824 2.246643 49.18339 
1 1 1   11    5    4 o  453.892   21.202  2586.61  240.311   0.0000   0.0000  2586.61  240.311  ?   ?   453.892   21.202 0.000000 21.20168 
1 1 1   11    5    5 o  604.004   27.071  4596.24  408.316  4596.24  408.316   0.0000   0.0000  604.004   27.071  ?   ?  0.000000 27.07111 
1 1 1   11    5    6 o  1083.67   32.860 14857.75  889.237 14967.25  1257.76 14748.33  1257.39  1080.49   46.615  1072.36   46.955 8.135620 66.16396 
1 1 1   11    5    7 o  247.963   10.134  768.677   62.751  751.916   88.717  785.458   88.771  244.646   14.588  250.094   14.273 -5.448303 20.40918 
1 1 1   11    5    8 o  655.315   20.404  5389.78  333.892  5421.12  472.277  5358.47  472.112  655.527   28.851  651.691   29.010 3.835938 40.91408 
1 1 1   11    5    9 o  709.404   21.334  6319.88  377.930  6395.25  534.568  6244.56  534.379  711.606   30.082  703.078   30.437 8.528259 42.79409 
1 1 1   11    5   10 o  848.488   25.890  9067.53  548.573  9271.91  776.109  8863.48  775.490  854.402   36.376  835.051   37.189 19.35034 52.02104 
1 1 1   11    5   11 o  664.505   20.459  5544.63  339.487  5679.17  480.385  5410.41  479.831  670.696   28.682  654.461   29.360 16.23444 41.04475 
1 1 1   11    5   12 o  512.613   16.481  3293.71  210.975  3356.45  298.634  3231.20  298.093  516.499   23.154  506.703   23.559 9.796143 33.03168 
1 1 1   11    5   13 o  377.396   12.678  1782.73  119.483  1863.21  169.457  1703.16  168.496  385.380   17.608  368.384   18.316 16.99631 25.40757 
1 1 1   11    5   14 o  757.812   23.438  7237.07  443.542  7276.77  627.497  7197.43  627.031  756.380   33.222  752.178   33.382 4.201721 47.09630 
1 1 1   11    5   15 o  707.823   22.004  6312.94  388.943  6450.77  550.469  6175.53  549.630  712.354   30.945  696.729   31.590 15.62451 44.22138 
1 1 1   11    5   16 o  334.084   11.988  1397.84  100.009  1454.39  142.020  1342.22  140.856  340.285   16.713  326.375   17.345 13.91046 24.08667 
1 1 1   11    5   17 f  316.299   11.687  1253.26   92.314  1221.25  131.002  1284.84  130.104  311.223   16.920  319.345   16.370 -8.122070 23.54242 
1 1 1   11    5   18 o  230.647   9.9719  666.037   57.435  641.055   81.866  690.252   80.600  225.464   14.619  234.104   13.849 -8.640533 20.13727 
1 1 1   11    5   19 o  229.143   9.8384  657.576   56.297  597.912   80.236  715.429   79.009  217.584   14.856  238.343   13.328 -20.75923 19.95819 
1 1 1   11    5   20 o  552.669   17.829  3856.80  246.061  3786.57  348.263  3926.81  347.703  544.388   25.618  554.628   25.105 -10.23987 35.86837 
1 1 1   11    5   21 o  549.462   25.150  3864.31  345.083  3703.21  487.566  4026.01  488.477  529.218   37.128  553.155   35.551 -23.93774 51.40427 
1 1 1   11    5   22 o  130.820   12.207  216.899   39.417  297.712   54.958  131.294   56.564  153.039   14.556   99.459   23.200 53.57941 27.38795 
1 1 1   11    5   23 o  189.523   9.6114  451.551   45.339  453.766   64.359  449.368   63.882  189.330   13.705  188.411   13.671 0.9183960 19.35780 
1 1 1   11    5   24 o  362.082   12.694  1649.82  114.775  1681.59  162.398  1618.12  162.236  364.163   17.858  356.652   18.277 7.510345 25.55329 
1 1 1   11    5   25 o  242.993   10.785  741.599   65.441  828.138   92.479  654.802   92.617  255.766   14.539  226.876   16.459 28.89090 21.96148 
1 1 1   11    5   26 f  276.150   10.920  958.138   75.307  933.027  105.639  984.083  107.381  271.181   15.666  278.571   15.498 -7.390137 22.03656 
1 1 1   11    5   27 o  161.681   9.3403  329.010   37.551  332.768   51.188  324.632   55.254  162.053   12.752  159.810   13.986 2.243149 18.92710 
1 1 1   11    5   28 o  202.043   9.3953  512.217   47.403  504.451   64.330  521.444   70.120  199.652   12.973  202.795   13.931 -3.143387 19.03602 
1 1 1   11    5   29 o  232.363   15.137  685.981   87.353  680.477  126.299  691.029  120.948  229.122   22.359  231.341   21.171 -2.218750 30.79162 
1 1 1   11    5   30 o  241.333   11.873  733.560   71.552  821.146   97.553  631.579  105.265  254.127   15.446  221.611   19.212 32.51639 24.65056 
1 1 1   11    5   31 o  205.757   11.429  534.833   58.494  609.964   77.447  435.063   89.248  219.098   14.232  183.286   19.815 35.81194 24.39629 
1 1 1   11    5   32 o  198.496   12.019  499.046   59.294  569.298   77.674  400.931   91.793  211.304   14.814  175.031   21.450 36.27309 26.06844 
1 1 1   11    5   33 o  122.219   11.614  190.336   35.021  214.003   43.050  144.027   60.217  129.218   13.542  102.960   23.883 26.25849 27.45565 
1 1 1   11    5   34 o  164.324   17.686  351.623   71.432  351.623   71.432   0.0000   0.0000  164.324   17.686  ?   ?  0.000000 17.68606 
1 1 1   11    5   35 o   48.714   16.399   28.935   23.607   28.935   23.607   0.0000   0.0000   48.714   16.399  ?   ?  0.000000 16.39889 
1 1 1   11    5   36 o   65.416   15.582   57.440   25.091   67.074   28.881   27.791   50.668   70.530   16.663   58.018   23.169 12.51201 28.53898 
1 1 1   11    5   37 o   94.540   13.624  117.278   31.236  126.738   36.917   93.442   58.603   97.634   15.672   81.515   25.739 16.11870 30.13459 
1 1 1   11    5   38 o  117.573   12.562  179.789   36.312  180.165   43.237  178.889   66.891  116.644   15.205  111.432   24.688 5.211884 28.99491 
1 1 1   11    5   39 o   50.036   20.387   18.312   40.113 -40.8161   67.239   50.985   49.982   49.136   22.817   64.142   23.656 -15.00624 32.86688 
1 1 1   11    5   40 o   46.226   17.051   24.065   25.970   20.778   29.775   34.519   53.096   46.309   17.980   59.236   23.696 -12.92679 29.74531 
1 1 1   11    5   41 o   61.666   18.137   53.136   29.791   49.837   34.537   62.725   58.885   60.262   19.823   68.459   25.591 -8.197811 32.37065 
1 1 1   11    5   42 o   44.508   17.440   19.312   28.209   15.888   32.385   30.077   57.429   45.006   18.325   58.017   24.091 -13.01122 30.26884 
1 1 1   11    6    0 o  926.113   28.275 10816.67  653.904 10882.75  924.852 10750.63  924.669  924.311   40.069  918.573   40.311 5.738220 56.83707 
1 1 1   11    6    1 o  1305.28   39.490 21689.30  1287.20 21660.55  1820.34 21718.05  1820.41  1291.56   56.440  1293.34   56.365 -1.779785 79.76501 
1 1 1   11    6    2 o  494.028   16.061  3057.20  198.143  3026.76  280.180  3087.65  280.254  490.753   22.862  495.696   22.640 -4.943085 32.17582 
1 1 1   11    6    3 o  558.925   17.790  3915.96  248.299  3953.59  351.221  3878.36  351.076  560.516   25.092  555.117   25.326 5.399292 35.65152 
1 1 1   11    6    4 o  557.403   17.662  3894.38  245.839  3792.79  347.496  3996.17  347.842  548.964   25.349  563.600   24.715 -14.63629 35.40325 
1 1 1   11    6    5 o  900.633   27.428 10222.24  616.862 10364.29  872.564 10080.32  872.187  902.744   38.706  890.065   39.241 12.67847 55.11818 
1 1 1   11    6    6 o  300.291   12.228  1128.00   91.697  1014.36  112.322  1355.06  158.777  284.142   15.894  328.096   19.466 -43.95377 25.13043 
1 1 1   11    6    7 o  611.422   26.897  4709.60  410.668  5124.44  582.089  4298.50  579.464  634.277   36.910  579.620   40.285 54.65723 54.63683 
1 1 1   11    6    8 o  701.225   30.727  6212.06  538.059  6570.76  762.070  5855.49  759.796  716.075   42.813  674.777   45.354 41.29797 62.36971 
1 1 1   11    6    9 o  792.743   34.702  7966.60  686.971  8147.96  972.321  7785.82  970.728  794.292   49.264  775.789   50.380 18.50311 70.46343 
1 1 1   11    6   10 f  253.191   14.646  805.314   92.206  754.779  131.334  854.434  129.483  244.165   21.768  260.150   20.087 -15.98471 29.61992 
1 1 1   11    6   11 o  505.434   22.372  3211.18  282.370  3644.59  401.213  2785.81  397.476  536.204   30.085  467.473   34.288 68.73135 45.61571 
1 1 1   11    6   12 o  763.022   33.408  7383.98  636.550  7694.21  901.430  7075.43  899.011  771.754   46.998  738.886   49.001 32.86798 67.89638 
1 1 1   11    6   13 o  328.073   16.763  1353.07  136.873  1414.12  194.951  1293.72  192.215  334.343   23.499  319.577   24.267 14.76575 33.78005 
1 1 1   11    6   14 o  372.043   15.010  1734.66  139.453  1736.89  171.138  1730.26  240.576  371.934   18.426  369.270   26.260 2.664642 32.07980 
1 1 1   11    6   15 o  936.615   28.659 11118.20  670.299 11403.16  948.468 10833.87  947.424  941.716   40.332  917.220   41.364 24.49628 57.77241 
1 1 1   11    6   16 o  477.066   15.668  2856.01  186.655  2879.83  264.330  2832.33  263.611  477.857   22.151  473.872   22.277 3.984131 31.41546 
1 1 1   11    6   17 o  543.380   17.446  3712.59  236.725  3727.09  335.154  3698.15  334.405  542.526   24.739  540.402   24.780 2.123169 35.01507 
1 1 1   11    6   18 o  156.206   8.7845  306.237   34.127  318.502   49.462  295.093   47.147  158.896   12.568  152.922   12.454 5.973801 17.69366 
1 1 1   11    6   19 o  152.026   8.8149  290.208   33.321  260.188   48.093  317.922   46.209  143.326   13.600  158.814   11.735 -15.48822 17.96292 
1 1 1   11    6   20 o  156.912   8.5465  309.093   33.362  385.672   48.417  239.862   46.036  175.033   11.135  137.515   13.583 37.51831 17.56415 
1 1 1   11    6   21 o  294.862   10.711  1090.32   78.869  1176.09  112.515  1007.47  110.584  305.647   14.741  282.298   15.750 23.34821 21.57217 
1 1 1   11    6   22 o  334.795   11.957  1407.91   99.963  1381.86  141.812  1433.65  140.928  330.183   17.259  336.874   16.753 -6.690613 24.05256 
1 1 1   11    6   23 f  198.576   13.178  498.344   64.978  547.464   90.852  446.904   92.972  207.203   17.729  186.423   20.299 20.78021 26.95143 
1 1 1   11    6   24 o  195.027   13.377  481.141   64.752  542.362   89.872  415.053   93.376  206.179   17.625  179.228   21.279 26.95131 27.63001 
1 1 1   11    6   25 o  330.371   12.557  1373.45  103.599  1453.21  146.555  1293.79  146.466  338.190   17.413  318.698   18.483 19.49292 25.39351 
1 1 1   11    6   26 o  296.544   11.280  1105.19   83.532  1104.67  117.701  1105.71  118.567  295.078   16.033  295.185   16.146 -0.1071777 22.75451 
1 1 1   11    6   27 o  266.056   9.6822  888.214   64.328  880.899   90.164  895.797   91.804  263.955   13.726  266.150   13.861 -2.195770 19.50732 
1 1 1   11    6   28 o  131.344   15.189  220.901   48.900   0.0000   0.0000  220.901   48.900  ?   ?   131.344   15.189 0.000000 15.18919 
1 1 1   11    6   29 f  199.499   12.480  503.247   61.860  503.247   61.860   0.0000   0.0000  199.499   12.480  ?   ?  0.000000 12.47975 
1 1 1   11    6   30 o  144.935   13.229  267.159   47.351  366.492   81.167  215.914   58.299  168.320   19.682  128.918   18.651 39.40199 27.11564 
1 1 1   11    6   31 o  413.358   20.489  2190.70  211.489  2202.85  301.613  2178.94  296.630  407.679   29.834  405.726   29.479 1.952606 41.94104 
1 1 1   11    6   32 o  160.904   11.037  327.532   44.078  333.516   56.508  318.232   70.443  161.709   14.135  156.809   18.335 4.899567 23.15169 
1 1 1   11    6   33 o  114.154   12.082  166.389   33.918  170.996   41.740  157.432   58.197  115.104   14.869  108.340   22.256 6.764473 26.76572 
1 1 1   11    6   34 o   83.837   13.280   91.303   26.877   90.921   31.176   92.408   53.041   83.107   15.595   82.780   24.159 0.3274002 28.75504 
1 1 1   11    6   35 o  217.721   12.180  603.554   65.956  621.711   80.579  566.695  114.811  219.997   14.753  206.115   22.681 13.88130 27.05725 
1 1 1   11    6   36 o  100.806   17.832  135.710   43.246  135.710   43.246   0.0000   0.0000  100.806   17.832  ?   ?  0.000000 17.83175 
1 1 1   11    6   37 o  100.716   13.284  132.250   32.595  117.779   38.595  168.247   60.871   93.676   17.130  109.879   22.926 -16.20276 28.61875 
1 1 1   11    6   38 o   85.840   14.218   97.657   29.411   81.213   34.352  142.805   56.920   76.913   18.174  100.361   23.179 -23.44792 29.45458 
1 1 1   11    6   39 o   50.369   16.567   32.599   24.123   39.621   27.618   9.9969   49.549   54.896   17.705   51.744   21.985 3.152596 28.22763 
1 1 1   11    6   40 o   45.318   16.711   22.827   24.940   50.275   28.735 -60.9875   50.212   60.560   17.813   38.235   18.327 22.32465 25.55747 
1 1 1   11    6   41 f   59.723   22.445   43.056   45.414  -4.9275   78.302   67.379   55.749   58.262   26.096   69.995   25.102 -11.73356 36.20927 
1 1 1   11    6   42 o   56.286   18.594   42.983   30.376   52.584   35.932   18.938   56.864   61.477   20.219   55.451   23.556 6.025394 31.04333 
1 1 1   11    7    0 o  990.459   29.569 12385.01  731.336 12555.68  1034.45 12214.46  1034.08  991.847   41.765  977.982   42.342 13.86530 59.47418 
1 1 1   11    7    1 o  1229.61   36.925 19203.93  1133.81 19049.61  1603.25 19358.32  1603.64  1213.88   52.890  1224.02   52.465 -10.13159 74.49767 
1 1 1   11    7    2 o  331.015   11.958  1370.56   98.848  1316.26  139.645  1425.09  139.940  323.612   17.343  337.254   16.616 -13.64206 24.01869 
1 1 1   11    7    3 o  778.156   33.971  7670.16  660.129   0.0000   0.0000  7670.16  660.129  ?   ?   778.156   33.971 0.000000 33.97124 
1 1 1   11    7    4 o  630.250   22.611  4991.37  355.864  4663.39  435.396  5651.38  617.645  608.016   28.676  666.006   37.287 -57.98981 47.03873 
1 1 1   11    7    5 o  1018.61   30.952 13110.08  787.311 12899.05  1113.17 13321.29  1113.68  1004.11   44.394  1020.80   43.689 -16.68915 62.28607 
1 1 1   11    7    6 o  516.688   22.671  3354.70  292.511  3866.33  415.371  2851.35  411.996  552.530   30.219  473.003   35.131 79.52661 46.33973 
1 1 1   11    7    7 o  866.335   37.686  9537.64  815.292  9918.92  1154.11  9157.84  1151.89  874.565   53.096  838.909   55.295 35.65631 76.66012 
1 1 1   11    7    8 o  810.114   35.182  8322.14  711.740  8811.89  1007.94  7835.08  1005.17  826.318   49.067  777.415   52.078 48.90338 71.55200 
1 1 1   11    7    9 o  649.643   28.866  5325.58  468.287  5379.90  662.856  5271.44  661.661  648.216   41.163  641.485   41.527 6.730774 58.47152 
1 1 1   11    7   10 o  624.005   22.683  4894.43  353.454  4565.92  612.021  5058.83  432.954  596.777   41.322  633.436   27.371 -36.65894 49.56510 
1 1 1   11    7   11 o  304.536   11.265  1159.95   85.666  1222.22  121.550  1098.50  120.755  312.360   15.583  295.624   16.422 16.73688 22.63873 
1 1 1   11    7   12 o  933.505   28.045 11001.16  653.766 11595.59  925.443 10408.99  923.689  953.598   38.863  902.434   40.988 51.16406 56.48325 
1 1 1   11    7   13 o  800.003   28.210  8086.27  563.571  7058.17  974.748  8602.52  690.723  734.577   53.506  823.116   33.604 -88.53912 63.18301 
1 1 1   11    7   14 o  552.066   24.788  3843.39  341.732  4072.38  484.619  3616.90  481.957  564.666   34.534  531.312   36.547 33.35388 50.28256 
1 1 1   11    7   15 o  500.809   23.196  3161.84  290.095  2836.85  410.507  3486.05  410.005  470.223   35.215  522.839   31.551 -52.61618 47.28182 
1 1 1   11    7   16 o  392.524   19.263  1938.09  188.813  1802.16  267.898  2072.26  266.154  375.762   28.768  403.712   26.548 -27.94974 39.14647 
1 1 1   11    7   17 o  149.432   13.112  282.013   48.436  227.632   71.517  328.093   65.832  132.511   22.412  160.758   16.640 -28.24673 27.91368 
1 1 1   11    7   18 o  263.434   10.335  868.843   67.988  892.543   96.914  845.877   95.402  266.245   14.633  259.144   14.804 7.100372 20.81499 
1 1 1   11    7   19 o  338.447   12.277  1436.42  103.758  1385.89  147.193  1486.34  146.283  331.173   17.865  343.589   17.049 -12.41565 24.69449 
1 1 1   11    7   20 o  293.638   10.837  1080.72   79.466  1125.70  113.193  1037.01  111.589  298.752   15.223  286.627   15.649 12.12479 21.83223 
1 1 1   11    7   21 o   77.151   9.5464   75.696   18.000   87.345   26.899   66.250   24.221   82.300   13.561   71.358   14.093 10.94225 19.55758 
1 1 1   11    7   22 o  190.009   9.0296  452.280   42.844  481.754   61.460  424.418   59.757  195.388   12.665  183.263   13.145 12.12506 18.25321 
1 1 1   11    7   23 o  209.018   9.4236  547.628   49.187  555.691   70.484  539.974   68.674  209.692   13.533  206.723   13.375 2.969360 19.02665 
1 1 1   11    7   24 o  282.232   10.965  1000.14   77.277  1038.72  109.789  962.253  108.792  286.448   15.405  275.554   15.877 10.89450 22.12250 
1 1 1   11    7   25 o  260.336   12.169  852.336   79.114  909.714   97.442  741.351  135.520  268.148   14.607  239.610   22.929 28.53799 27.18646 
1 1 1   11    7   26 o  302.482   16.130  1160.58  121.398  1157.48  168.854  1163.89  174.657  299.790   22.724  300.319   23.476 -0.5286255 32.67260 
1 1 1   11    7   27 o  331.622   11.652  1382.82   96.492  1295.75  135.799  1471.61  137.132  319.288   17.094  341.015   16.103 -21.72656 23.48444 
1 1 1   11    7   28 o  339.648   12.202  1451.87  103.495  1450.82  145.497  1452.95  147.248  337.756   17.309  337.932   17.509 -0.1765747 24.62015 
1 1 1   11    7   29 o  123.121   10.309  191.697   31.404  205.567   41.181  172.422   48.547  127.039   13.172  115.326   17.398 11.71284 21.82225 
1 1 1   11    7   30 o  194.486   10.812  476.932   52.302  521.387   70.949  424.019   77.405  202.704   14.104  181.941   17.242 20.76210 22.27631 
1 1 1   11    7   31 o  453.896   15.907  2612.48  180.299  2845.91  253.028  2371.70  256.981  470.747   21.524  427.597   24.166 43.15009 32.36162 
1 1 1   11    7   32 o  310.727   16.920  1232.10  130.794  1328.08  188.883  1143.68  181.292  319.307   23.861  295.711   24.779 23.59543 34.39949 
1 1 1   11    7   33 o  117.750   16.671  180.006   47.651  215.908   76.929  157.657   60.696  126.506   25.236  108.300   23.145 18.20602 34.24295 
1 1 1   11    7   34 o   86.943   13.489   98.042   28.338  115.378   33.519   54.604   53.059   94.168   14.737   68.569   24.499 25.59975 28.59025 
1 1 1   11    7   35 o  167.420   11.541  356.458   47.958  394.321   58.657  280.120   83.289  175.563   13.482  143.910   24.023 31.65244 27.54794 
1 1 1   11    7   36 o  104.692   12.420  141.301   31.838  141.282   37.859  141.347   58.839  103.948   15.020  101.080   23.719 2.868004 28.07452 
1 1 1   11    7   37 o  289.934   13.941  1079.69  100.933  1133.60  123.885  973.270  174.070  294.739   16.902  264.694   26.699 30.04486 31.59987 
1 1 1   11    7   38 o   91.420   18.804  114.160   41.496  114.160   41.496   0.0000   0.0000   91.420   18.804  ?   ?  0.000000 18.80440 
1 1 1   11    7   39 o   61.474   16.630   51.425   26.147   68.084   30.558   5.8938   50.519   70.445   17.459   51.264   21.999 19.18090 28.08557 
1 1 1   11    7   40 o   69.078   16.406   65.364   27.880   44.953   32.550  121.587   54.022   58.330   19.247   91.669   23.492 -33.33892 30.36973 
1 1 1   11    7   41 o   47.833   17.291   26.916   26.514   47.847   31.100 -28.7638   50.725   59.319   18.753   43.488   20.062 15.83043 27.46129 
1 1 1   11    7   42 o   58.962   18.393   47.931   30.022   47.935   35.408   47.919   56.624   59.525   20.084   63.577   24.765 -4.051258 31.88468 
1 1 1   11    7   43 o   77.782   24.117   91.873   51.705  101.726   90.299   87.067   63.067   80.773   31.326   75.734   26.747 5.039284 41.19141 
1 1 1   11    8    0 o  390.200   13.197  1905.34  128.591  1849.10  181.666  1961.81  182.046  383.941   18.948  395.519   18.432 -11.57770 26.43369 
1 1 1   11    8    1 o  355.478   12.578  1580.98  111.652  1578.26  157.889  1583.70  157.910  354.356   17.901  354.973   17.871 -0.6164551 25.29463 
1 1 1   11    8    2 o  437.288   20.143  2399.96  219.964   0.0000   0.0000  2399.96  219.964  ?   ?   437.288   20.143 0.000000 20.14345 
1 1 1   11    8    3 o  534.455   24.248  3593.21  323.628  3593.21  323.628   0.0000   0.0000  534.455   24.248  ?   ?  0.000000 24.24844 
1 1 1   11    8    4 o  886.281   26.700  9896.25  590.923  9860.24  835.673  9932.26  835.711  880.631   38.001  883.899   37.862 -3.268188 53.64307 
1 1 1   11    8    5 o  400.914   13.610  2011.59  136.256  1976.86  192.513  2046.45  192.878  396.959   19.421  403.914   19.122 -6.955444 27.25488 
1 1 1   11    8    6 o  562.501   24.659  3981.00  346.373  4474.79  491.422  3493.50  488.283  593.617   33.285  523.014   37.638 70.60291 50.24437 
1 1 1   11    8    7 o  834.528   36.187  8839.99  754.136  8029.27  1065.58  9653.55  1067.44  785.489   54.665  864.594   49.649 -79.10577 73.84612 
1 1 1   11    8    8 o  529.220   16.751  3509.50  221.379  3722.00  313.574  3298.34  312.582  544.136   23.077  512.021   24.447 32.11542 33.61855 
1 1 1   11    8    9 o  897.355   27.339 10151.34  612.638 10293.67  866.636 10009.17  866.166  899.367   38.588  886.619   39.121 12.74829 54.94990 
1 1 1   11    8   10 o  847.909   25.986  9056.67  550.215  9003.12  778.119  9110.23  778.124  841.581   37.025  846.662   36.803 -5.081238 52.20509 
1 1 1   11    8   11 o  1244.76   37.856 19722.72  1176.71 19807.15  1664.29 19638.33  1663.96  1235.31   53.951  1229.84   54.181 5.475342 76.46104 
1 1 1   11    8   12 o  595.791   18.847  4454.41  280.399  4442.47  396.632  4466.35  396.455  593.482   26.763  595.094   26.678 -1.611755 37.78849 
1 1 1   11    8   13 o  555.829   17.465  3875.14  242.413  3964.34  343.104  3786.24  342.543  560.954   24.493  548.102   25.027 12.85260 35.01795 
1 1 1   11    8   14 o  771.018   23.708  7490.10  456.477  7515.07  645.731  7465.17  645.381  768.796   33.635  766.200   33.731 2.596252 47.63460 
1 1 1   11    8   15 o  326.768   11.719  1336.48   95.628  1386.59  135.625  1286.93  134.855  332.454   16.336  319.786   16.948 12.66846 23.53938 
1 1 1   11    8   16 o  614.753   18.658  4751.24  286.424  5047.32  405.744  4457.13  404.390  631.672   25.722  593.107   27.303 38.56500 37.51146 
1 1 1   11    8   17 o  260.297   10.205  847.923   66.331  906.979   94.755  791.173   92.886  268.552   14.180  250.673   14.906 17.87982 20.57282 
1 1 1   11    8   18 f  267.464   14.782  900.759   98.346  980.427  141.297  825.899  136.968  278.036   20.495  254.801   21.734 23.23544 29.87344 
1 1 1   11    8   19 o  487.411   22.756  3009.45  276.974  2967.27  392.677  3051.21  390.730  479.172   33.018  486.252   32.363 -7.080017 46.23392 
1 1 1   11    8   20 o  109.381   13.125  152.325   35.134  169.039   54.982  140.790   45.675  114.012   20.043  104.165   18.223 9.846771 27.08891 
1 1 1   11    8   21 o  351.733   12.462  1553.31  109.457  1599.67  155.453  1507.73  154.148  355.989   17.487  345.059   17.951 10.93060 25.06070 
1 1 1   11    8   22 o  287.045   10.865  1033.60   77.884  1057.69  110.847  1010.11  109.456  289.292   15.399  282.654   15.567 6.638489 21.89693 
1 1 1   11    8   23 o  428.297   14.545  2311.30  155.560  2262.38  220.291  2359.97  219.700  421.706   20.919  430.894   20.418 -9.187897 29.23154 
1 1 1   11    8   24 o  360.854   12.388  1637.29  111.628  1565.97  158.155  1708.08  157.577  351.075   18.101  367.392   17.176 -16.31714 24.95326 
1 1 1   11    8   25 o  189.189   8.4223  448.422   39.790  427.427   56.685  468.816   55.868  183.933   12.414  192.799   11.659 -8.865707 17.03022 
1 1 1   11    8   26 o  182.522   9.5841  418.995   43.530  449.530   61.741  388.814   61.383  188.479   13.201  175.039   14.165 13.44037 19.36245 
1 1 1   11    8   27 o  316.571   16.766  1272.74  132.066   0.0000   0.0000  1272.74  132.066  ?   ?   316.571   16.766 0.000000 16.76567 
1 1 1   11    8   28 o  264.839   21.003  901.275  137.764  901.275  137.764   0.0000   0.0000  264.839   21.003  ?   ?  0.000000 21.00299 
1 1 1   11    8   29 o  140.922   9.7863  250.433   34.225  276.351   46.017  218.347   51.201  147.611   12.605  130.387   16.065 17.22389 20.41962 
1 1 1   11    8   30 o  117.515   11.023  175.110   31.970  213.540   41.748  120.617   49.714  129.507   13.089   95.250   21.420 34.25649 25.10250 
1 1 1   11    8   31 o  148.451   9.7941  277.923   36.104  285.861   46.871  266.341   56.616  150.080   12.623  144.108   16.003 5.972137 20.38237 
1 1 1   11    8   32 o  254.709   10.482  815.779   66.673  794.388   89.550  842.385   99.873  250.173   14.395  257.279   15.619 -7.105789 21.24067 
1 1 1   11    8   33 o  295.757   12.253  1103.93   90.497  1104.22  121.545  1103.56  135.563  294.045   16.621  293.129   18.616 0.9151917 24.95626 
1 1 1   11    8   34 o  146.740   15.469  277.002   55.829  282.318   87.620  273.369   72.437  144.866   25.132  144.123   20.723 0.7426758 32.57383 
1 1 1   11    8   35 o  120.940   11.893  186.849   35.455  206.299   43.107  146.180   62.333  126.648   13.856  103.284   24.532 23.36331 28.17465 
1 1 1   11    8   36 o  247.502   12.941  781.667   79.704  780.803   98.013  783.355  136.950  245.955   16.046  242.350   22.901 3.604630 27.96254 
1 1 1   11    8   37 o  201.671   11.852  519.285   59.424  562.724   73.218  435.451  101.715  209.018   14.110  179.038   23.303 29.98012 27.24179 
1 1 1   11    8   38 o  215.156   12.477  594.366   66.750  625.777   82.344  534.173  113.990  219.390   15.123  197.118   23.628 22.27231 28.05327 
1 1 1   11    8   39 o  104.117   13.464  141.947   34.187  156.245   41.254  110.606   61.079  108.460   15.687   87.539   26.027 20.92059 30.38953 
1 1 1   11    8   40 o  125.141   18.984  213.602   57.462  213.602   57.462   0.0000   0.0000  125.141   18.984  ?   ?  0.000000 18.98378 
1 1 1   11    8   41 o   47.632   17.248   26.396   26.396   27.399   30.714   23.563   51.627   49.632   18.496   55.901   22.992 -6.268166 29.50817 
1 1 1   11    8   42 o  126.206   13.453  210.125   41.744  221.471   51.277  187.829   71.881  127.991   16.422  111.386   26.269 16.60549 30.97972 
1 1 1   11    8   43 o   42.242   17.321   12.005   29.190   9.8438   34.828   17.106   53.509   44.278   18.601   53.889   22.869 -9.610901 29.47887 
1 1 1   11    9    0 o  711.029   25.252  6365.88  448.363  6080.40  548.515  6940.70  778.337  693.232   31.685  735.638   42.551 -42.40594 53.05244 
1 1 1   11    9    1 o  375.827   15.041  1768.84  141.160  1729.11  172.464  1849.45  245.699  370.821   18.684  382.332   25.887 -11.51123 31.92545 
1 1 1   11    9    2 o  280.962   10.115  986.948   70.971  980.287  100.200  993.655  100.536  279.452   14.408  281.361   14.357 -1.909088 20.33949 
1 1 1   11    9    3 o  424.134   13.437  2251.35  142.317  2328.39  201.319  2174.38  201.215  430.858   18.711  416.299   19.355 14.55847 26.92099 
1 1 1   11    9    4 o  574.029   18.238  4131.88  261.427  4147.52  369.700  4116.25  369.727  573.887   25.797  571.700   25.898 2.187012 36.55390 
1 1 1   11    9    5 o  765.940   23.606  7377.62  451.505  7399.08  638.552  7356.16  638.497  764.312   33.456  762.061   33.552 2.250977 47.38192 
1 1 1   11    9    6 o  821.129   35.941  8558.68  736.964  8632.27  1042.89  8485.26  1041.56  816.247   51.427  809.011   51.829 7.235962 73.01339 
1 1 1   11    9    7 o  738.760   32.350  6906.44  596.792  6298.29  843.481  7516.07  844.502  698.090   48.690  765.001   44.398 -66.91095 65.89295 
1 1 1   11    9    8 o  355.286   12.163  1579.10  107.909  1629.91  152.656  1528.37  152.557  360.630   16.951  348.730   17.575 11.89935 24.41758 
1 1 1   11    9    9 o  656.520   20.453  5411.30  335.325  5386.19  474.258  5436.40  474.185  653.172   29.076  656.245   28.936 -3.072205 41.02050 
1 1 1   11    9   10 o  979.061   29.853 12111.74  729.887 12058.07  1032.22 12165.41  1032.21  970.974   42.571  975.391   42.378 -4.417297 60.06809 
1 1 1   11    9   11 o  541.848   17.366  3681.14  234.983  3699.41  332.410  3662.90  332.223  542.068   24.557  539.367   24.666 2.701355 34.80559 
1 1 1   11    9   12 o  565.640   17.853  4013.20  252.174  4091.48  356.817  3935.09  356.439  569.865   25.074  558.773   25.545 11.09222 35.79429 
1 1 1   11    9   13 f  873.016   26.753  9619.91  583.237  9748.31  825.100  9491.67  824.544  874.143   37.798  862.319   38.291 11.82416 53.80434 
1 1 1   11    9   14 o  309.113   11.484  1195.61   88.650  1192.02  125.601  1199.18  125.140  307.873   16.396  308.813   16.285 -0.9401245 23.10904 
1 1 1   11    9   15 o  1107.72   33.844 15635.67  936.196 15395.63  1323.80 15875.84  1324.16  1087.48   48.747  1105.01   47.987 -17.52869 68.40372 
1 1 1   11    9   16 o  513.010   16.026  3302.78  205.301  3525.03  290.961  3082.41  289.723  528.799   22.034  494.167   23.478 34.63153 32.19796 
1 1 1   11    9   17 o  228.307   9.5809  652.136   54.623  703.300   78.034  602.979   76.488  236.508   13.266  218.833   14.071 17.67535 19.33895 
1 1 1   11    9   18 o  433.908   14.402  2362.84  156.049  2445.64  221.227  2280.85  220.149  440.378   20.117  425.152   20.736 15.22638 28.89059 
1 1 1   11    9   19 o  394.435   13.465  1952.33  132.629  1995.86  188.134  1909.33  187.002  397.834   18.937  389.052   19.248 8.782806 27.00194 
1 1 1   11    9   20 o  343.313   12.340  1478.67  105.790  1431.09  150.149  1525.56  149.076  336.393   17.939  347.944   17.157 -11.55099 24.82284 
1 1 1   11    9   21 o  449.327   20.896  2559.63  234.469  2756.13  333.424  2367.40  329.786  462.183   29.037  427.187   31.129 34.99594 42.56902 
1 1 1   11    9   22 o  331.254   16.774  1388.55  138.302  1508.49  197.823  1273.89  193.427  343.255   23.215  314.747   24.811 28.50845 33.97820 
1 1 1   11    9   23 o  364.039   13.040  1666.64  118.539  1659.96  167.959  1673.28  167.320  361.490   18.670  362.989   18.520 -1.499603 26.29780 
1 1 1   11    9   24 o  289.685   11.047  1053.57   79.915  1064.48  113.553  1042.86  112.490  289.950   15.742  286.978   15.757 2.971375 22.27315 
1 1 1   11    9   25 o   83.822   9.2656   89.146   19.070  101.011   27.004   77.343   26.935   88.759   12.532   77.091   14.524 11.66808 19.18339 
1 1 1   11    9   26 o  119.939   9.0253  181.343   26.834  208.189   38.159  155.081   37.742  128.114   12.070  110.048   14.055 18.06600 18.52603 
1 1 1   11    9   27 o  392.141   13.386  1937.46  131.086  1956.22  185.511  1918.76  185.257  392.269   18.938  388.437   19.099 3.832458 26.89620 
1 1 1   11    9   28 o  114.537   9.8873  165.838   28.003  217.528   38.087  105.021   41.313  131.004   11.768   89.230   19.116 41.77465 22.44790 
1 1 1   11    9   29 o  237.403   10.738  708.056   63.661  792.847   89.180  619.954   90.905  250.221   14.332  220.603   16.624 29.61813 21.94885 
1 1 1   11    9   30 f   74.476   17.329   73.169   31.622  114.664   34.834 -121.1816   75.388   94.043   15.364   44.857   21.738 49.18612 26.61910 
1 1 1   11    9   31 o  126.026   11.104  201.250   34.587  231.363   45.172  158.581   53.771  134.733   13.613  109.731   20.373 25.00159 24.50256 
1 1 1   11    9   32 o  222.377   10.873  622.000   60.382  666.802   80.799  565.331   90.872  229.237   14.184  210.109   17.478 19.12816 22.50957 
1 1 1   11    9   33 o  237.965   11.101  713.029   65.967  774.108   87.473  632.481  100.452  246.885   14.249  221.831   18.297 25.05490 23.19055 
1 1 1   11    9   34 o  179.456   11.246  407.619   50.141  421.535   61.758  380.707   85.885  181.920   13.695  170.715   20.560 11.20433 24.70337 
1 1 1   11    9   35 o  214.553   11.684  583.633   62.364  612.822   77.104  528.411  106.053  219.098   14.168  200.497   21.518 18.60110 25.76399 
1 1 1   11    9   36 o  251.254   16.000  813.121   99.863  836.848  148.108  793.342  135.226  250.247   23.995  244.643   22.383 5.604065 32.81379 
1 1 1   11    9   37 o  142.957   11.437  261.034   40.488  271.811   49.695  239.755   69.827  145.143   13.880  133.163   21.749 11.97920 25.80104 
1 1 1   11    9   38 o  217.580   12.027  605.810   65.093  645.337   80.320  530.169  111.111  223.387   14.476  197.282   22.985 26.10448 27.16348 
1 1 1   11    9   39 o  163.026   11.937  341.810   48.259  404.705   59.712  223.347   81.948  176.700   13.638  124.066   27.200 52.63428 30.42778 
1 1 1   11    9   40 o  118.107   12.813  181.670   37.182  175.714   45.395  193.813   64.816  114.709   16.306  117.120   22.982 -2.411263 28.17948 
1 1 1   11    9   41 o   37.064   15.835   1.7101   25.963  -5.8275   30.018   24.096   51.730   37.284   16.459   56.256   23.062 -18.97250 28.33299 
1 1 1   11    9   42 o  159.443   20.615  354.027   80.159  354.027   80.159   0.0000   0.0000  159.443   20.615  ?   ?  0.000000 20.61522 
1 1 1   11    9   43 o   83.449   17.573   97.211   35.463   93.599   43.381  104.489   61.574   80.220   21.299   82.769   26.410 -2.548645 33.92788 
1 1 1   11    9   44 o   96.263   17.497  129.731   40.510  160.782   50.489   73.613   67.874  105.901   19.820   71.860   27.339 34.04057 33.76789 
1 1 1   11   10    0 o  345.917   14.086  1498.14  121.680  1571.36  148.686  1349.66  211.729  354.064   16.817  326.212   26.213 27.85211 31.14336 
1 1 1   11   10    1 o  1182.38   77.047 18924.04  2262.48   0.0000   0.0000 18924.04  2262.48  ?   ?   1182.38   77.047 0.000000 77.04710 
1 1 1   11   10    2 o  658.681   27.900  5473.87  458.919  5473.87  458.919   0.0000   0.0000  658.681   27.900  ?   ?  0.000000 27.90038 
1 1 1   11   10    3 o  574.667   21.082  4147.83  302.534  4091.41  370.185  4261.30  524.975  569.869   26.013  577.974   36.561 -8.105347 44.87119 
1 1 1   11   10    4 o  473.912   15.133  2812.76  179.094  2824.78  253.207  2800.73  253.348  474.209   21.382  472.172   21.487 2.036682 30.31295 
1 1 1   11   10    5 o  834.826   25.354  8775.80  528.552  8703.78  747.416  8847.85  747.556  827.797   36.157  834.735   35.863 -6.937805 50.92585 
1 1 1   11   10    6 o  523.475   23.938  3447.36  312.915  3142.76  442.648  3751.64  442.409  496.246   35.964  543.368   32.758 -47.12186 48.64648 
1 1 1   11   10    7 o  1274.09   55.722 21101.97  1772.88 19950.58  2505.85 22255.89  2508.60  1207.26   83.635  1281.64   78.763 -74.37903 114.8845 
1 1 1   11   10    8 o  498.322   16.187  3111.40  201.429  3107.01  284.875  3115.78  284.852  497.096   22.949  497.803   22.915 -0.7061462 32.43039 
1 1 1   11   10    9 o  491.954   16.040  3032.33  197.055  2988.89  278.645  3075.80  278.711  487.543   22.887  494.629   22.564 -7.086334 32.13974 
1 1 1   11   10   10 o  583.024   18.156  4263.46  264.342  4329.10  373.975  4197.92  373.696  586.196   25.548  577.170   25.928 9.026855 36.39948 
1 1 1   11   10   11 o  478.937   15.685  2874.02  187.589  2911.43  265.440  2836.70  265.142  481.221   22.089  474.966   22.354 6.255280 31.42663 
1 1 1   11   10   12 o  629.188   19.573  4970.89  307.524  5089.09  435.153  4852.95  434.656  634.900   27.446  619.836   28.081 15.06433 39.26668 
1 1 1   11   10   13 o  1059.94   32.340 14256.12  855.997 14231.04  1210.62 14281.19  1210.50  1050.30   46.157  1052.22   46.069 -1.913940 65.21407 
1 1 1   11   10   14 o  560.298   17.872  3940.70  250.058  3917.34  353.741  3964.03  353.530  557.120   25.426  560.470   25.259 -3.349731 35.84054 
1 1 1   11   10   15 o  520.664   16.738  3402.14  217.627  3357.38  307.871  3446.84  307.671  515.865   23.899  522.767   23.568 -6.901550 33.56533 
1 1 1   11   10   16 o  712.177   21.980  6394.37  390.901  6493.56  553.119  6295.39  552.515  714.283   31.010  703.100   31.469 11.18256 44.17997 
1 1 1   11   10   17 o  453.788   15.082  2584.14  170.910  2517.53  241.840  2650.59  241.565  446.705   21.680  458.484   21.099 -11.77872 30.25194 
1 1 1   11   10   18 o  142.991   8.5561  256.668   30.412  270.117   44.081  244.454   42.011  146.315   12.175  139.136   12.215 7.178497 17.24628 
1 1 1   11   10   19 o  479.359   15.656  2888.61  187.405  2957.63  265.604  2820.18  264.460  483.462   22.000  471.968   22.439 11.49371 31.42439 
1 1 1   11   10   20 o  471.530   15.471  2796.88  182.171  2858.41  258.172  2735.87  257.088  474.965   21.767  464.548   22.162 10.41595 31.06341 
1 1 1   11   10   21 o  358.903   12.442  1617.04  111.514  1694.73  158.506  1540.89  156.916  366.500   17.319  348.858   18.074 17.64276 25.03243 
1 1 1   11   10   22 o  190.578   8.7886  454.845   41.826  498.092   60.515  415.291   57.874  198.783   12.251  181.348   12.863 17.43471 17.76336 
1 1 1   11   10   23 o  259.753   10.429  846.299   67.647  819.675   96.422  872.107   94.930  254.534   15.240  262.731   14.526 -8.196701 21.05332 
1 1 1   11   10   24 f  220.110   13.634  612.240   74.572  675.187  108.993  556.840  102.251  229.900   19.159  208.445   19.885 21.45576 27.61322 
1 1 1   11   10   25 o  246.021   14.806  766.169   90.537  737.202  130.889  792.744  125.367  239.296   22.155  248.785   20.358 -9.488739 30.08794 
1 1 1   11   10   26 o  236.605   14.187  708.291   83.434   0.0000   0.0000  708.291   83.434  ?   ?   236.605   14.187 0.000000 14.18665 
1 1 1   11   10   27 o  158.854   12.010  319.131   47.291  319.131   47.291   0.0000   0.0000  158.854   12.010  ?   ?  0.000000 12.01027 
1 1 1   11   10   28 o  287.715   10.933  1039.94   78.554  1081.29  111.013  998.482  111.170  292.146   15.270  280.523   15.935 11.62289 22.07052 
1 1 1   11   10   29 o  151.131   10.288  288.089   38.595  346.720   53.451  224.224   55.786  165.396   13.047  131.881   17.361 33.51494 21.71739 
1 1 1   11   10   30 o  587.800   19.202  4401.25  281.860  4597.15  398.360  4204.86  398.861  595.171   26.803  568.133   28.114 27.03784 38.84313 
1 1 1   11   10   31 o  271.470   11.958  927.721   81.064  1055.54  112.776  791.080  116.604  288.304   15.724  248.488   18.934 39.81631 24.61150 
1 1 1   11   10   32 o  418.587   20.792  2245.26  217.342  2229.83  296.629  2263.14  319.364  411.288   29.069  412.713   31.218 -1.424713 42.65642 
1 1 1   11   10   33 o  148.793   10.285  279.669   37.980  279.002   46.453  281.012   65.959  148.171   12.677  147.334   18.323 0.8364563 22.28086 
1 1 1   11   10   34 o  154.288   10.750  301.208   41.159  296.973   50.524  309.563   70.969  152.640   13.390  154.385   18.796 -1.744995 23.07805 
1 1 1   11   10   35 o  138.093   10.983  242.077   37.562  244.456   46.242  237.462   64.398  138.184   13.576  134.346   19.788 3.837692 23.99746 
1 1 1   11   10   36 o  226.519   11.610  651.177   65.454  654.044   80.781  645.699  111.682  226.050   14.385  221.900   20.382 4.149689 24.94758 
1 1 1   11   10   37 o  106.350   12.068  145.457   31.482  143.836   38.492  148.731   54.714  104.894   15.133  104.497   21.678 0.3970871 26.43721 
1 1 1   11   10   38 o  162.971   15.739  346.238   63.257  360.447  101.098  337.096   81.091  160.763   26.076  158.237   21.044 2.526718 33.50828 
1 1 1   11   10   39 o  251.321   12.521  809.287   78.583  819.458   97.159  790.049  133.625  250.717   15.596  240.805   22.482 9.912552 27.36140 
1 1 1   11   10   40 o  104.821   13.315  143.781   34.066  112.104   41.565  208.601   59.458   90.255   19.041  123.481   19.964 -33.22567 27.58784 
1 1 1   11   10   41 o   55.445   17.558   40.757   27.255   35.816   32.786   51.810   49.038   54.204   19.270   64.452   23.482 -10.24743 30.37688 
1 1 1   11   10   42 f  169.486   12.606  373.654   52.973  358.281   65.984  401.527   88.849  163.740   16.356  169.613   21.457 -5.872452 26.98002 
1 1 1   11   10   43 o   94.330   22.723  130.245   52.891  130.245   52.891   0.0000   0.0000   94.330   22.723  ?   ?  0.000000 22.72320 
1 1 1   11   10   44 o   45.440   19.991  -1.2831   43.918  -1.2831   43.918   0.0000   0.0000   45.440   19.991  ?   ?  0.000000 19.99055 
1 1 1   11   11    0 o  676.584   43.550  5895.71  731.898   0.0000   0.0000  5895.71  731.898  ?   ?   676.584   43.550 0.000000 43.55038 
1 1 1   11   11    1 f  919.791   40.211 10807.18  923.605 10807.18  923.605   0.0000   0.0000  919.791   40.211  ?   ?  0.000000 40.21114 
1 1 1   11   11    2 o  593.424   20.605  4423.19  305.343  4023.06  373.000  5236.05  531.639  564.864   26.443  641.776   33.287 -76.91205 42.51208 
1 1 1   11   11    3 o  624.761   22.576  4908.09  352.219  5008.73  431.224  4706.37  610.498  630.086   27.406  605.789   40.591 24.29718 48.97710 
1 1 1   11   11    4 o  353.648   14.537  1566.13  128.384  1639.32  157.009  1418.45  223.019  361.592   17.388  334.334   26.941 27.25833 32.06500 
1 1 1   11   11    5 o  241.364   11.632  728.738   70.108  825.452   85.675  532.719  121.972  256.454   13.425  204.310   24.389 52.14395 27.83950 
1 1 1   11   11    6 o  416.867   13.367  2175.09  139.150  2217.24  196.484  2132.68  197.092  420.394   18.716  412.255   19.145 8.139343 26.77365 
1 1 1   11   11    7 o  1126.80   49.324 16382.49  1387.88 16264.73  1963.16 16500.15  1962.36  1101.20   71.783  1109.80   71.184 -8.599487 101.0937 
1 1 1   11   11    8 o  555.135   16.792  3862.85  232.787  4038.69  329.434  3687.48  328.987  566.615   23.282  541.231   24.341 25.38428 33.68349 
1 1 1   11   11    9 o  523.957   16.867  3441.44  220.686  3448.67  312.136  3434.22  312.059  523.465   23.878  522.359   23.923 1.105652 33.80079 
1 1 1   11   11   10 f  451.353   14.968  2551.77  168.708  2575.07  238.644  2528.50  238.536  452.695   21.110  448.557   21.295 4.137817 29.98560 
1 1 1   11   11   11 o  444.745   13.333  2476.16  148.074  2569.93  209.583  2382.71  209.234  452.535   18.546  435.658   19.233 16.87790 26.71797 
1 1 1   11   11   12 o  309.727   11.545  1200.23   89.291  1191.88  126.443  1208.54  126.111  307.884   16.506  310.054   16.346 -2.169983 23.22997 
1 1 1   11   11   13 o  544.798   17.175  3723.58  233.660  3833.68  330.693  3613.81  330.198  551.545   24.010  535.352   24.699 16.19360 34.44617 
1 1 1   11   11   14 o  858.583   26.137  9313.35  560.383  9054.97  792.278  9572.02  792.725  841.272   37.713  865.522   36.677 -24.25043 52.60674 
1 1 1   11   11   15 o  408.152   13.612  2087.28  138.742  2147.52  196.517  2027.43  195.905  413.310   19.040  401.516   19.539 11.79486 27.28162 
1 1 1   11   11   16 o  199.943   9.1490  500.012   45.680  513.191   65.018  487.165   64.193  201.974   12.959  196.743   13.141 5.231201 18.45658 
1 1 1   11   11   17 o  307.506   11.520  1184.23   88.459  1134.77  125.312  1233.36  124.889  300.048   16.792  312.976   16.033 -12.92828 23.21702 
1 1 1   11   11   18 o  499.772   16.136  3139.12  201.378  3177.81  285.167  3100.63  284.418  501.221   22.783  495.033   23.008 6.187622 32.37960 
1 1 1   11   11   19 o  612.819   18.931  4736.25  289.708  4979.54  410.369  4494.52  409.051  625.482   26.273  593.659   27.592 31.82281 38.10000 
1 1 1   11   11   20 o  692.182   21.641  6070.31  374.067  6223.11  529.574  5918.17  528.449  695.892   30.474  678.162   31.205 17.73016 43.61669 
1 1 1   11   11   21 o  357.124   14.577  1604.29  129.995  1599.38  228.457  1606.64  158.081  352.811   26.116  356.750   17.745 -3.938995 31.57404 
1 1 1   11   11   22 o  101.726   8.6299  130.502   21.715  136.894   32.913  125.575   28.898  103.572   13.013   99.318   11.888 4.254295 17.62534 
1 1 1   11   11   23 o  182.984   8.6444  419.377   39.500  473.499   57.625  371.409   54.250  193.792   11.966  171.421   12.765 22.37138 17.49643 
1 1 1   11   11   24 f  321.899   11.909  1301.98   95.729  1252.60  136.163  1350.24  134.613  314.146   17.425  326.446   16.567 -12.30048 24.04413 
1 1 1   11   11   25 o  157.374   8.7023  311.267   34.067  287.985   49.447  332.304   47.002  150.682   13.277  162.210   11.682 -11.52827 17.68402 
1 1 1   11   11   26 o  201.719   14.242  515.532   71.280  467.174  106.447  554.843   95.975  189.759   22.929  208.261   18.652 -18.50174 29.55708 
1 1 1   11   11   27 o  152.517   13.689  295.449   51.582  277.291   80.716  307.984   67.062  145.484   22.981  154.898   17.653 -9.414490 28.97804 
1 1 1   11   11   28 o  257.085   10.257  829.676   65.849  891.124   93.409  768.971   92.842  265.429   14.144  246.268   15.171 19.16098 20.74105 
1 1 1   11   11   29 o  278.407   11.487  974.496   79.860  1099.58  112.814  848.862  113.064  294.543   15.391  258.063   17.651 36.47980 23.41877 
1 1 1   11   11   30 o  435.026   15.773  2394.85  171.352  2429.57  210.432  2326.52  295.198  436.725   19.295  421.837   28.185 14.88818 34.15739 
1 1 1   11   11   31 o  486.593   15.722  2997.75  191.045  3047.09  269.199  2947.70  271.168  487.293   22.122  478.954   22.672 8.338470 31.67696 
1 1 1   11   11   32 o  212.816   9.8078  568.743   52.123  553.495   70.052  587.655   78.014  208.991   13.495  215.101   14.610 -6.109879 19.88911 
1 1 1   11   11   33 o  190.746   11.018  459.343   52.259  435.125   64.595  505.230   88.913  184.980   14.090  198.277   18.159 -13.29733 22.98413 
1 1 1   11   11   34 o  208.511   18.833  560.904   97.003  560.904   97.003   0.0000   0.0000  208.511   18.833  ?   ?  0.000000 18.83288 
1 1 1   11   11   35 o  168.750   10.751  360.400   45.069  330.711   55.653  416.964   76.818  160.857   13.994  179.731   17.330 -18.87393 22.27509 
1 1 1   11   11   36 o  203.182   11.074  523.160   55.974  515.269   69.314  537.953   94.904  200.791   13.909  203.240   18.917 -2.448715 23.47987 
1 1 1   11   11   37 o  158.250   11.306  318.858   44.387  323.093   55.210  311.117   74.639  158.464   14.099  153.241   19.980 5.222137 24.45385 
1 1 1   11   11   38 o   94.826   12.703  116.639   29.324  103.391   35.841  143.464   51.001   87.951   16.933  102.664   20.610 -14.71281 26.67403 
1 1 1   11   11   39 o  230.612   11.903  680.718   68.313  662.258   85.105  714.156  114.544  225.732   15.186  231.161   20.041 -5.428024 25.14497 
1 1 1   11   11   40 o   96.033   20.519  127.844   47.714   63.230   88.672  154.179   56.609   76.583   30.627  104.858   22.305 -28.27484 37.88789 
1 1 1   11   11   41 o   72.310   16.777   71.462   29.709   60.663   36.483   92.722   51.188   66.468   20.196   80.589   23.795 -14.12060 31.20975 
1 1 1   11   11   42 o  151.553   12.388  298.283   46.474  276.099   58.089  337.737   77.468  143.672   16.489  156.540   20.295 -12.86823 26.14929 
1 1 1   11   11   43 o   85.565   17.130  100.925   35.325  118.808   44.988   72.170   57.046   91.513   20.225   71.969   25.436 19.54424 32.49673 
1 1 1   11   11   44 o  119.660   25.409  216.389   73.578   0.0000   0.0000  216.389   73.578  ?   ?   119.660   25.409 0.000000 25.40859 
1 1 1   11   12    0 o  374.195   18.641  1757.83  174.184  2249.09  246.094  1264.66  246.572  421.966   23.447  314.229   31.864 107.7377 39.56078 
1 1 1   11   12    1 o  853.514   30.409  9224.14  648.133  9322.21  793.667  9027.80  1122.97  855.107   37.168  830.193   54.469 24.91376 65.94210 
1 1 1   11   12    2 o  622.898   22.679  4881.77  352.764  4821.64  431.591  5002.81  612.300  617.823   27.974  624.612   39.459 -6.789185 48.36875 
1 1 1   11   12    3 o  932.324   32.988 11026.64  768.020 10860.68  940.155 11359.55  1331.59  921.416   40.859  929.883   57.628 -8.466675 70.64367 
1 1 1   11   12    4 o  378.496   14.896  1794.48  140.791  1735.61  171.867  1914.60  245.484  371.911   18.506  388.960   25.413 -17.04926 31.43720 
1 1 1   11   12    5 o  607.662   21.679  4641.71  328.969  4382.03  402.275  5165.97  571.583  589.250   27.338  636.302   36.121 -47.05267 45.30019 
1 1 1   11   12    6 o  294.698   13.052  1087.02   96.048  1185.19  117.375  888.046  167.100  307.578   15.282  264.236   25.647 43.34201 29.85469 
1 1 1   11   12    7 o  178.307   18.718  403.292   82.102  403.292   82.102   0.0000   0.0000  178.307   18.718  ?   ?  0.000000 18.71825 
1 1 1   11   12    8 o  1081.54   70.072 15695.48  1882.33 15695.48  1882.33   0.0000   0.0000  1081.54   70.072  ?   ?  0.000000 70.07185 
1 1 1   11   12    9 o  1058.18   32.215 14194.33  851.265 14213.08  1203.90 14175.59  1203.84  1050.79   45.880  1049.37   45.940 1.428223 64.92648 
1 1 1   11   12   10 o  387.249   13.409  1877.47  129.667  1894.94  183.444  1860.02  183.309  388.531   18.907  384.915   19.071 3.615112 26.85474 
1 1 1   11   12   11 o  324.839   11.959  1320.44   97.006  1272.43  137.172  1368.47  137.203  318.027   17.338  329.930   16.707 -11.90332 24.07766 
1 1 1   11   12   12 o  927.784   28.362 10886.90  657.101 10725.93  929.133 11047.97  929.430  914.739   40.675  928.723   40.076 -13.98352 57.10105 
1 1 1   11   12   13 o  763.879   23.490  7354.10  448.083  7157.61  633.513  7550.82  633.857  749.867   33.831  770.571   32.940 -20.70471 47.21899 
1 1 1   11   12   14 o  331.371   12.006  1374.64   99.353  1393.76  140.701  1355.63  140.312  332.803   16.987  328.179   17.181 4.624054 24.16054 
1 1 1   11   12   15 o  769.067   23.801  7467.40  457.094  7462.17  646.544  7472.63  646.314  764.487   33.867  765.041   33.831 -0.5540161 47.86943 
1 1 1   11   12   16 o  467.954   15.452  2748.18  180.568  2621.84  255.354  2874.52  255.369  455.788   22.435  477.472   21.418 -21.68427 31.01686 
1 1 1   11   12   17 o  493.506   16.131  3059.53  198.797  2915.79  281.153  3203.25  281.130  480.152   23.448  503.556   22.357 -23.40463 32.39833 
1 1 1   11   12   18 o  430.357   14.324  2324.79  153.942  2332.43  218.088  2317.22  217.328  429.912   20.314  428.509   20.310 1.402618 28.72553 
1 1 1   11   12   19 o  526.399   16.896  3488.20  222.105  3554.02  314.543  3422.76  313.668  529.225   23.801  519.222   24.192 10.00281 33.93683 
1 1 1   11   12   20 o  448.510   14.875  2529.49  166.603  2603.85  236.191  2455.85  235.039  453.516   20.855  440.286   21.377 13.23007 29.86542 
1 1 1   11   12   21 o  205.633   9.4011  529.626   48.275  522.242   69.307  536.585   67.281  203.382   13.727  206.263   13.131 -2.881699 18.99558 
1 1 1   11   12   22 o  259.275   10.448  842.920   67.643  820.935   96.590  864.081   94.760  254.818   15.249  261.591   14.564 -6.773056 21.08671 
1 1 1   11   12   23 o  262.750   10.351  865.893   67.917  874.701   97.154  857.473   94.982  263.050   14.851  260.479   14.662 2.571411 20.86901 
1 1 1   11   12   24 o  511.388   16.558  3305.40  211.448  3420.36  299.782  3191.59  298.290  517.185   23.212  499.222   23.927 17.96310 33.33623 
1 1 1   11   12   25 o   79.486   12.981   81.525   24.876   0.0000   0.0000   81.525   24.876  ?   ?    79.486   12.981 0.000000 12.98080 
1 1 1   11   12   26 o  309.148   16.671  1212.75  128.224  1212.75  128.224   0.0000   0.0000  309.148   16.671  ?   ?  0.000000 16.67090 
1 1 1   11   12   27 o  277.868   11.026  969.902   76.509  977.232  108.829  962.740  107.580  277.612   15.763  275.557   15.699 2.055481 22.24735 
1 1 1   11   12   28 o  203.680   10.596  522.343   53.708  683.406   76.610  366.678   75.315  232.544   13.247  169.037   18.125 63.50766 22.45021 
1 1 1   11   12   29 o  167.281   14.052  355.409   58.155  335.963   90.883  368.892   75.677  160.222   23.405  169.512   18.160 -9.290161 29.62457 
1 1 1   11   12   30 o  229.704   14.699  669.101   83.872  694.865  125.637  648.388  112.649  231.958   21.951  224.541   20.310 7.417038 29.90542 
1 1 1   11   12   31 o  357.856   12.800  1613.67  114.387  1699.53  160.667  1525.42  162.891  365.774   17.590  345.574   18.948 20.19965 25.85416 
1 1 1   11   12   32 o  264.921   11.624  883.284   76.901  1004.60  106.254  749.837  111.441  281.354   15.179  241.939   18.587 39.41518 23.99808 
1 1 1   11   12   33 o  170.564   10.837  367.391   45.917  346.125   57.215  405.867   76.961  164.897   14.028  177.747   17.569 -12.85065 22.48215 
1 1 1   11   12   34 f  199.890   11.109  504.734   55.235  509.672   68.823  495.797   92.587  200.233   13.849  195.889   19.173 4.343521 23.65183 
1 1 1   11   12   35 o  175.839   11.232  391.522   49.062  346.422   61.084  473.503   82.356  164.423   15.044  191.681   17.395 -27.25780 22.99768 
1 1 1   11   12   36 o   87.346   17.699  101.363   37.282  101.363   37.282   0.0000   0.0000   87.346   17.699  ?   ?  0.000000 17.69870 
1 1 1   11   12   37 o  285.487   11.639  1032.99   82.973  963.001  102.867  1163.32  140.374  273.876   15.099  298.819   18.909 -24.94263 24.19802 
1 1 1   11   12   38 o  141.160   11.711  254.909   40.910  261.515   51.161  243.195   68.126  142.055   14.632  134.415   20.982 7.639694 25.57943 
1 1 1   11   12   39 o  127.047   11.574  207.259   36.316  195.804   45.388  227.642   60.546  122.246   15.196  130.246   19.190 -8.000565 24.47826 
1 1 1   11   12   40 o  137.421   12.352  243.863   41.937  261.287   53.049  214.831   68.476  141.074   15.304  124.081   22.945 16.99270 27.58009 
1 1 1   11   12   41 o  129.644   12.364  217.849   39.543  216.682   50.131  219.771   64.332  127.724   16.074  126.003   21.198 1.720779 26.60305 
1 1 1   11   12   42 o  126.012   18.760  216.638   57.232  219.717  107.455  215.418   67.622  116.127   34.521  123.282   22.805 -7.154922 41.37359 
1 1 1   11   12   43 o   92.778   16.234  116.930   36.242  112.591   46.926  123.344   57.053   88.631   21.436   91.348   24.504 -2.716400 32.55722 
1 1 1   11   12   44 o   86.583   26.023  114.380   60.815   0.0000   0.0000  114.380   60.815  ?   ?    86.583   26.023 0.000000 26.02308 
1 1 1   11   13    0 o  950.873   61.697 12072.72  1457.09 12072.72  1457.09   0.0000   0.0000  950.873   61.697  ?   ?  0.000000 61.69717 
1 1 1   11   13    1 o  941.700   41.378 11388.76  973.045 11985.96  1376.19 10791.72  1376.00  951.787   58.181  899.922   61.600 51.86499 84.73238 
1 1 1   11   13    2 o  530.963   19.637  3542.05  260.375  3444.89  318.276  3738.63  452.740  522.752   24.381  541.265   33.662 -18.51312 41.56446 
1 1 1   11   13    3 f  708.868   25.474  6338.58  450.932  6231.52  551.744  6553.97  782.551  700.964   31.520  712.317   44.212 -11.35278 54.29759 
1 1 1   11   13    4 o  562.605   20.688  3978.46  290.646  4068.88  355.739  3796.91  504.062  568.080   25.077  544.382   37.304 23.69781 44.94926 
1 1 1   11   13    5 o  588.376   21.470  4353.18  315.461  4443.43  386.131  4172.04  547.041  593.455   26.055  570.301   38.640 23.15363 46.60379 
1 1 1   11   13    6 o  315.444   13.571  1245.92  106.903  1283.98  130.491  1168.25  186.421  319.603   16.405  303.470   24.817 16.13370 29.74909 
1 1 1   11   13    7 o  223.918   11.146  627.228   62.324  602.469   75.390  680.676  110.767  218.905   13.863  232.036   19.291 -13.13089 23.75563 
1 1 1   11   13    8 o  426.962   29.216  2316.49  309.628  2316.49  309.628   0.0000   0.0000  426.962   29.216  ?   ?  0.000000 29.21580 
1 1 1   11   13    9 o  424.503   15.532  2258.50  164.648  2037.14  200.817  2712.47  287.584  402.668   19.971  463.185   24.955 -60.51605 31.96278 
1 1 1   11   13   10 f  508.898   18.868  3252.00  239.775  3432.49  293.637  2890.82  415.380  522.203   22.518  475.239   35.252 46.96301 41.83028 
1 1 1   11   13   11 o  153.110   8.6134  293.987   32.799  319.321   46.605  269.126   46.167  159.303   11.799  146.063   12.786 13.24031 17.39863 
1 1 1   11   13   12 o  975.858   29.709 12071.00  723.969 12165.29  1023.97 11976.75  1023.72  972.303   42.173  964.515   42.503 7.788879 59.87575 
1 1 1   11   13   13 o  192.892   9.1360  465.273   44.007  471.077   62.367  459.517   62.104  193.511   12.982  191.098   13.093 2.412247 18.43763 
1 1 1   11   13   14 o  500.373   16.304  3142.28  203.720  3088.09  288.155  3196.44  288.053  494.711   23.325  503.407   22.914 -8.695862 32.69733 
1 1 1   11   13   15 o  193.225   9.0504  466.970   43.670  441.762   61.881  491.979   61.637  187.284   13.318  197.782   12.545 -10.49869 18.29592 
1 1 1   11   13   16 o  676.578   21.118  5773.06  356.791  5823.34  504.756  5722.85  504.401  676.144   29.895  670.176   30.140 5.968445 42.45087 
1 1 1   11   13   17 o  289.988   10.669  1052.92   77.263  1146.05  109.897  961.901  108.647  302.176   14.564  276.266   15.814 25.91046 21.49863 
1 1 1   11   13   18 f  339.195   11.247  1441.45   95.263  1529.37  135.276  1354.97  134.174  348.848   15.529  328.238   16.369 20.60986 22.56304 
1 1 1   11   13   19 o  105.960   8.7420  141.455   22.925  144.139   33.715  139.147   31.265  106.404   12.956  104.636   12.194 1.767509 17.79206 
1 1 1   11   13   20 o  475.854   15.579  2849.93  185.128  2889.12  262.325  2811.05  261.298  477.228   22.012  470.662   22.232 6.565887 31.28565 
1 1 1   11   13   21 o  168.695   8.6129  357.205   36.162  399.726   52.570  319.013   49.822  178.077   11.890  158.885   12.662 19.19199 17.36966 
1 1 1   11   13   22 o  244.133   9.7378  746.971   59.366  809.564   85.168  687.819   82.794  253.365   13.510  233.339   14.278 20.02599 19.65622 
1 1 1   11   13   23 o  236.832   9.7722  703.184   57.794  731.408   82.994  676.612   80.528  240.654   13.869  231.408   14.001 9.245895 19.70754 
1 1 1   11   13   24 o  594.506   19.068  4485.44  283.080  4427.63  400.798  4542.97  399.875  585.645   27.406  593.524   26.980 -7.879333 38.45741 
1 1 1   11   13   25 o  173.389   9.0786  377.850   39.172  457.776   57.079  306.691   53.857  190.452   12.064  155.393   14.030 35.05910 18.50377 
1 1 1   11   13   26 o   97.921   9.2497  121.277   22.350  174.867   32.710   74.348   30.610  117.448   11.292   75.213   16.729 42.23442 20.18378 
1 1 1   11   13   27 o  129.700   9.3254  212.030   30.002  236.098   43.172  189.552   41.723  136.362   12.829  121.846   13.964 14.51547 18.96297 
1 1 1   11   13   28 o  414.128   14.257  2163.64  147.437  2229.16  208.873  2098.59  208.145  418.273   19.997  405.083   20.645 13.18964 28.74205 
1 1 1   11   13   29 o  345.388   12.627  1501.90  108.911  1533.98  154.152  1469.92  153.896  347.198   17.840  339.720   18.207 7.478424 25.49031 
1 1 1   11   13   30 o  308.525   12.310  1198.19   94.838  1269.44  133.852  1126.36  134.393  315.964   17.027  297.188   18.197 18.77634 24.92063 
1 1 1   11   13   31 o  457.726   22.422  2689.48  256.292  2536.00  365.703  2837.62  359.285  435.857   33.865  463.378   31.232 -27.52063 46.06819 
1 1 1   11   13   32 o  276.125   15.400  968.079  105.769  1108.89  157.889  853.449  142.458  293.253   21.715  256.793   22.441 36.45981 31.22692 
1 1 1   11   13   33 o  397.290   15.973  2002.28  158.470  1996.39  194.793  2013.80  272.509  395.067   19.745  391.193   28.083 3.874298 34.32921 
1 1 1   11   13   34 o  265.251   12.771  888.391   84.592  877.809  104.752  908.228  143.424  262.352   16.067  264.534   21.909 -2.182465 27.16847 
1 1 1   11   13   35 o  233.872   11.319  689.820   66.105  697.027   82.531  676.923  110.414  234.016   14.190  228.679   19.522 5.337723 24.13435 
1 1 1   11   13   36 o   74.994   13.399   73.431   24.172   73.952   29.493   72.366   42.191   74.673   16.276   73.759   21.553 0.9140549 27.00754 
1 1 1   11   13   37 f   93.244   11.688  111.797   26.618  103.748   32.638  127.782   45.996   88.884   15.254   97.602   19.553 -8.717186 24.79940 
1 1 1   11   13   38 o   52.409   17.885   33.373   28.083   33.373   28.083   0.0000   0.0000   52.409   17.885  ?   ?  0.000000 17.88513 
1 1 1   11   13   39 o  205.784   19.802  563.660  100.502  563.660  100.502   0.0000   0.0000  205.784   19.802  ?   ?  0.000000 19.80204 
1 1 1   11   13   40 o  144.319   11.898  267.970   42.496  271.235   54.052  262.684   68.768  143.853   15.281  139.058   20.411 4.794815 25.49705 
1 1 1   11   13   41 o   82.580   15.762   91.724   31.319   76.027   39.829  117.152   50.694   73.896   20.738   90.961   22.454 -17.06454 30.56498 
1 1 1   11   13   42 o  168.469   12.514  367.672   52.271  352.418   67.079  391.254   83.405  162.628   16.757  169.164   20.140 -6.535675 26.19969 
1 1 1   11   13   43 o   61.535   18.950   51.860   31.983   37.853   42.289   70.577   48.886   57.415   21.643   71.052   23.594 -13.63648 32.01725 
1 1 1   11   14    0 o  251.767   14.934  797.662   93.469  773.960  130.667  822.500  133.757  246.961   21.399  254.675   21.225 -7.714539 30.14044 
1 1 1   11   14    1 o  410.970   19.834  2124.38  203.553  2071.84  286.911  2177.62  288.832  403.282   28.677  413.649   28.129 -10.36691 40.16934 
1 1 1   11   14    2 o  333.629   17.536  1401.28  145.589  1564.74  204.615  1233.67  207.197  351.511   23.445  311.188   26.928 40.32239 35.70429 
1 1 1   11   14    3 o  653.717   23.373  5386.84  381.552  5607.13  467.234  4945.86  661.068  665.542   28.113  618.049   43.102 47.49377 51.46019 
1 1 1   11   14    4 o  816.628   29.135  8447.65  594.136  8354.66  727.193  8634.35  1030.42  809.078   35.992  812.258   51.060 -3.180176 62.47078 
1 1 1   11   14    5 o  500.751   18.902  3149.73  236.364  3228.60  289.163  2990.92  410.314  506.280   22.872  483.549   34.201 22.73053 41.14383 
1 1 1   11   14    6 o  287.683   12.957  1036.25   93.081  1121.19  113.509  861.877  162.641  298.692   15.269  260.143   25.359 38.54959 29.60065 
1 1 1   11   14    7 o  708.010   25.442  6326.56  449.820  6318.10  550.602  6343.54  779.997  705.621   31.248  699.822   44.869 5.798889 54.67775 
1 1 1   11   14    8 o  1070.09   70.074 15524.53  1862.20 15524.53  1862.20   0.0000   0.0000  1070.09   70.074  ?   ?  0.000000 70.07442 
1 1 1   11   14    9 o  351.882   25.395  1570.79  221.653  1570.79  221.653   0.0000   0.0000  351.882   25.395  ?   ?  0.000000 25.39531 
1 1 1   11   14   10 o  351.450   14.531  1547.88  127.533  1585.30  155.777  1471.82  222.093  355.374   17.554  340.306   26.340 15.06802 31.65292 
1 1 1   11   14   11 o  295.507   13.139  1093.70   96.960  1154.77  118.308  968.770  169.213  303.046   15.687  275.951   24.821 27.09494 29.36292 
1 1 1   11   14   12 o  318.971   12.787  1274.23  101.851  1190.65  124.093  1446.75  178.287  307.627   16.211  338.329   21.210 -30.70197 26.69530 
1 1 1   11   14   13 o  641.797   19.137  5180.13  306.705  5456.28  434.082  4904.83  433.412  656.533   26.477  622.003   27.903 34.52960 38.46580 
1 1 1   11   14   14 o  315.683   11.042  1247.46   87.050  1282.37  123.250  1212.72  122.964  319.681   15.439  310.430   15.916 9.251251 22.17374 
1 1 1   11   14   15 o  401.114   13.677  2017.28  136.998  2033.41  193.887  2001.19  193.601  401.884   19.320  398.666   19.447 3.217987 27.41217 
1 1 1   11   14   16 o  706.554   22.074  6306.29  389.474  6189.66  550.787  6422.94  550.812  695.718   31.703  709.018   31.110 -13.29950 44.41721 
1 1 1   11   14   17 o  375.023   13.062  1763.87  122.326  1779.79  173.291  1748.05  172.702  375.881   18.462  372.496   18.566 3.385620 26.18291 
1 1 1   11   14   18 o  169.212   8.9486  359.316   37.678  300.564   63.974  390.519   46.622  153.613   16.960  176.250   10.643 -22.63628 20.02271 
1 1 1   11   14   19 o  156.478   12.397  309.089   48.047  322.474   66.469  294.440   69.533  159.112   16.991  151.616   18.766 7.495941 25.31550 
1 1 1   11   14   20 o  420.894   19.969  2242.18  209.882  2130.46  296.188  2354.86  297.453  406.121   29.404  427.721   28.003 -21.60007 40.60540 
1 1 1   11   14   21 o  115.518   11.803  169.207   33.571  169.833   46.680  168.536   48.315  114.856   16.769  114.259   17.490 0.5968704 24.23035 
1 1 1   11   14   22 o  282.887   15.246  1011.48  107.305  973.177  151.545  1049.98  151.961  275.590   22.209  286.581   21.388 -10.99121 30.83327 
1 1 1   11   14   23 o  241.661   13.684  737.405   82.237  877.516  116.680  599.102  115.925  262.698   17.893  215.797   21.811 46.90092 28.21176 
1 1 1   11   14   24 o  245.345   20.173  770.412  122.502   0.0000   0.0000  770.412  122.502  ?   ?   245.345   20.173 0.000000 20.17342 
1 1 1   11   14   25 o  466.295   32.004  2858.08  370.403  2858.08  370.403   0.0000   0.0000  466.295   32.004  ?   ?  0.000000 32.00369 
1 1 1   11   14   26 o  335.966   12.204  1419.61  102.385  1318.64  145.409  1518.89  144.188  321.897   18.164  346.430   16.667 -24.53345 24.65180 
1 1 1   11   14   27 f  370.059   12.974  1724.36  119.891  1784.77  170.240  1664.93  168.870  374.970   18.181  361.509   18.771 13.46075 26.13199 
1 1 1   11   14   28 o  181.537   9.9726  414.816   45.036  438.089   64.281  392.379   63.116  185.879   13.950  175.745   14.511 10.13402 20.12927 
1 1 1   11   14   29 o  390.526   13.972  1923.72  136.261  2048.47  192.936  1799.58  192.469  401.165   19.259  374.951   20.635 26.21399 28.22647 
1 1 1   11   14   30 o  291.818   11.712  1071.13   85.349  1124.60  120.590  1017.47  120.814  297.570   16.290  282.723   17.194 14.84662 23.68529 
1 1 1   11   14   31 o  371.567   13.671  1741.84  126.853  1816.49  178.742  1666.07  180.061  377.170   19.039  360.730   20.068 16.43930 27.66252 
1 1 1   11   14   32 o   93.087   10.339  110.183   23.628  116.614   29.991   99.659   38.364   95.333   12.932   86.934   18.253 8.398453 22.36962 
1 1 1   11   14   33 o  264.293   12.038  880.028   79.449  864.922   98.519  908.122  134.358  260.904   15.187  265.539   20.419 -4.635040 25.44725 
1 1 1   11   14   34 o  115.088   16.567  171.719   46.240  122.373   85.597  192.054   54.948   96.449   31.177  121.258   18.751 -24.80930 36.38118 
1 1 1   11   14   35 o  403.032   16.683  2071.88  167.907  2123.52  206.711  1971.72  287.872  405.394   20.485  383.014   30.346 22.38019 36.61339 
1 1 1   11   14   36 o   95.123   11.881  116.119   27.607  104.619   34.545  136.446   45.927   89.221   16.097  101.445   18.823 -12.22379 24.76734 
1 1 1   11   14   37 o  132.812   11.246  224.703   36.947  221.034   46.799  230.773   60.196  130.842   14.571  132.366   18.735 -1.523438 23.73362 
1 1 1   11   14   38 o  155.825   11.194  309.377   43.268  298.791   55.226  326.202   69.625  152.014   14.733  157.607   18.014 -5.593094 23.27164 
1 1 1   11   14   39 o  150.824   11.421  290.934   42.697  266.628   54.581  329.267   68.544  142.904   15.546  158.017   17.673 -15.11305 23.53743 
1 1 1   11   14   40 o  123.957   16.297  203.204   49.224  203.204   49.224   0.0000   0.0000  123.957   16.297  ?   ?  0.000000 16.29706 
1 1 1   11   14   41 o   43.699   18.131   9.2017   32.489   9.2017   32.489   0.0000   0.0000   43.699   18.131  ?   ?  0.000000 18.13077 
1 1 1   11   14   42 o   97.478   15.271  126.751   35.952  128.583   47.564  124.308   54.914   95.966   20.472   92.962   23.610 3.004089 31.24950 
1 1 1   11   14   43 o  152.862   21.561  326.338   80.017   0.0000   0.0000  326.338   80.017  ?   ?   152.862   21.561 0.000000 21.56081 
1 1 1   11   15    0 o  195.286   13.912  480.675   67.400  490.450   92.910  469.817   97.924  196.452   19.184  191.944   20.761 4.508240 28.26693 
1 1 1   11   15    1 f  296.194   16.134  1104.80  118.888  1084.53  166.597  1125.84  169.712  292.169   23.020  297.716   23.006 -5.547241 32.54568 
1 1 1   11   15    2 o  581.344   26.399  4280.62  383.242  4293.94  541.281  4267.23  542.695  576.844   37.785  574.925   38.015 1.919250 53.59877 
1 1 1   11   15    3 o  646.764   42.157  5427.87  677.147   0.0000   0.0000  5427.87  677.147  ?   ?   646.764   42.157 0.000000 42.15678 
1 1 1   11   15    4 o  738.138   25.794  6890.40  475.456  6509.14  581.351  7660.54  826.255  714.734   32.572  768.442   43.234 -53.70801 54.13007 
1 1 1   11   15    5 o  431.963   16.772  2342.18  180.922  2499.77  221.280  2024.38  314.229  445.781   19.878  397.636   31.914 48.14474 37.59850 
1 1 1   11   15    6 o  500.920   18.926  3153.95  236.748  3200.36  289.543  3060.33  411.235  503.790   23.015  488.757   33.903 15.03305 40.97704 
1 1 1   11   15    7 o  397.252   15.219  1978.88  150.970  1886.80  184.102  2167.93  263.787  387.432   19.029  413.393   25.680 -25.96130 31.96170 
1 1 1   11   15    8 o  267.328   12.528  894.905   83.633  946.018  101.675  787.970  147.064  274.290   14.900  248.772   23.970 25.51830 28.22338 
1 1 1   11   15    9 o  580.903   38.003  4344.94  548.242  4344.94  548.242   0.0000   0.0000  580.903   38.003  ?   ?  0.000000 38.00306 
1 1 1   11   15   10 o  850.506   30.376  9192.38  645.148  9125.77  789.739  9326.00  1118.57  843.574   37.490  839.877   53.613 3.697266 65.42020 
1 1 1   11   15   11 o  624.908   22.681  4925.68  353.940  4817.82  432.996  5142.87  614.433  616.353   28.132  631.140   39.179 -14.78613 48.23260 
1 1 1   11   15   12 o  156.148   10.747  306.595   41.649  327.848   49.975  258.263   75.362  161.301   12.505  141.484   22.049 19.81709 25.34790 
1 1 1   11   15   13 o  652.990   23.784  5388.99  387.837  5520.29  474.933  5126.18  671.945  659.020   28.859  626.936   43.183 32.08435 51.93893 
1 1 1   11   15   14 f  212.350   11.514  566.364   60.827  617.711   73.990  459.303  106.839  221.567   13.436  189.303   23.078 32.26414 26.70468 
1 1 1   11   15   15 o  255.904   12.331  820.678   78.802  890.162   96.172  678.711  137.467  265.937   14.537  230.290   24.270 35.64642 28.29004 
1 1 1   11   15   16 o  382.023   13.347  1830.64  127.328  1768.37  180.123  1892.83  180.014  374.037   19.351  387.620   18.597 -13.58261 26.83844 
1 1 1   11   15   17 o  669.071   20.825  5657.19  347.942  5485.91  491.958  5828.62  492.169  654.610   30.095  675.242   29.188 -20.63208 41.92437 
1 1 1   11   15   18 o  537.531   24.687  3674.33  331.378  4000.83  468.571  3347.65  468.707  555.516   33.940  505.997   37.358 49.51825 50.47357 
1 1 1   11   15   19 o  154.193   12.194  300.153   46.568  283.454   64.063  318.863   67.811  148.914   17.566  158.075   17.471 -9.161438 24.77432 
1 1 1   11   15   20 o  260.753   12.229  853.523   79.631  839.592   97.568  881.317  137.814  257.799   15.223  262.750   21.184 -4.951324 26.08644 
1 1 1   11   15   21 o  162.561   7.8869  330.756   32.017  393.854   46.635  274.502   44.034  176.904   10.606  147.369   12.071 29.53464 16.06838 
1 1 1   11   15   22 o  269.141   10.438  908.577   70.150  946.640  100.141  871.900   98.300  273.724   14.704  262.589   15.054 11.13467 21.04350 
1 1 1   11   15   23 o  542.536   17.085  3722.98  231.471  3896.77  328.170  3550.91  326.535  551.723   23.819  526.094   24.855 25.62872 34.42573 
1 1 1   11   15   24 o  313.776   11.377  1236.72   89.145  1284.78  126.903  1189.90  125.254  318.897   15.936  306.362   16.432 12.53604 22.89016 
1 1 1   11   15   25 o  401.270   13.665  2028.54  136.930  2117.47  194.484  1941.14  192.823  408.247   19.077  390.125   19.858 18.12180 27.53696 
1 1 1   11   15   26 o  152.295   10.400  292.482   39.316  364.775   49.219  165.032   65.351  169.958   11.667  111.326   24.198 58.63218 26.86405 
1 1 1   11   15   27 o  269.909   15.777  924.131  105.879  1134.02  148.872  709.307  150.613  297.676   20.146  232.946   26.355 64.72990 33.17299 
1 1 1   11   15   28 o  154.881   13.127  304.290   50.292  356.065   67.682  240.456   75.151  166.932   16.450  135.180   23.092 31.75136 28.35169 
1 1 1   11   15   29 o  268.460   15.915  914.958  106.218  1004.64  146.737  816.241  153.951  279.627   21.171  250.487   24.944 29.14001 32.71699 
1 1 1   11   15   30 o  413.414   13.544  2155.19  139.820  2282.24  198.003  2028.82  197.468  423.533   18.721  398.876   19.825 24.65707 27.26730 
1 1 1   11   15   31 o  161.651   9.0256  328.771   36.289  329.956   49.571  327.402   53.268  161.405   12.393  160.581   13.406 0.8232269 18.25722 
1 1 1   11   15   32 o  118.075   10.518  176.563   30.688  169.051   38.495  189.662   50.831  114.947   13.680  121.033   17.311 -6.086700 22.06368 
1 1 1   11   15   33 o  233.001   11.729  685.341   68.025  639.883   84.648  768.228  114.302  224.279   15.204  244.676   18.853 -20.39757 24.21927 
1 1 1   11   15   34 o  280.410   12.097  991.558   84.704  1023.50  105.361  933.188  142.429  283.788   14.920  268.443   21.425 15.34552 26.10843 
1 1 1   11   15   35 o  243.093   11.865  745.830   72.029  686.066   89.852  853.292  120.487  231.750   15.617  257.282   18.885 -25.53204 24.50612 
1 1 1   11   15   36 o  259.828   11.792  853.382   76.510  845.300   95.768  867.643  127.209  257.223   14.974  258.420   19.865 -1.196167 24.87628 
1 1 1   11   15   37 o  119.057   16.652  185.259   48.154  135.386   93.222  203.410   56.238   99.207   32.564  124.169   18.718 -24.96165 37.56089 
1 1 1   11   15   38 o   68.467   14.654   62.220   24.297   61.942   30.773   62.682   39.592   67.901   17.896   68.707   21.071 -0.8061371 27.64533 
1 1 1   11   15   39 o   96.530   12.785  120.951   30.061  120.413   38.620  121.778   47.885   95.040   16.891   94.233   20.897 0.8065491 26.86991 
1 1 1   11   15   40 o  147.960   11.834  281.218   43.357  304.036   56.303  247.970   67.962  152.641   14.963  135.007   20.829 17.63441 25.64636 
1 1 1   11   15   41 o   52.423   17.180   35.256   25.950   15.330   34.645   60.724   39.167   46.943   19.012   66.923   21.030 -19.98006 28.35017 
1 1 1   11   15   42 o  183.723   12.691  436.795   57.866  417.042   75.599  464.742   89.923  176.855   17.341  185.074   19.762 -8.218887 26.29193 
1 1 1   11   16    0 o  144.115   13.578  262.891   48.290  230.812   64.284  304.438   73.158  133.850   19.832  154.183   19.432 -20.33311 27.76588 
1 1 1   11   16    1 o  386.069   19.033  1878.22  183.494  1865.21  257.931  1891.54  261.099  381.999   27.217  384.650   27.361 -2.651428 38.59243 
1 1 1   11   16    2 o  190.404   13.834  457.127   65.329  453.700   89.947  460.953   95.043  188.806   19.351  190.139   20.332 -1.333450 28.06854 
1 1 1   11   16    3 o  227.195   14.516  650.240   81.929  724.291  114.379  572.214  117.410  239.055   19.325  211.674   22.560 27.38136 29.70525 
1 1 1   11   16    4 o  445.437   30.577  2540.45  338.058   0.0000   0.0000  2540.45  338.058  ?   ?   445.437   30.577 0.000000 30.57679 
1 1 1   11   16    5 o  441.015   20.995  2451.84  231.219  2456.01  325.905  2447.62  328.091  438.271   29.958  437.427   30.221 0.8430176 42.55322 
1 1 1   11   16    6 o  575.833   20.350  4176.90  292.619  3875.61  357.340  4790.17  509.823  553.179   25.868  611.213   33.530 -58.03387 42.34912 
1 1 1   11   16    7 o  644.501   23.514  5247.34  378.437  5299.28  463.082  5142.91  656.627  645.845   28.713  628.836   42.057 17.00848 50.92408 
1 1 1   11   16    8 o  435.853   16.528  2385.69  179.887  2285.40  219.528  2590.66  313.834  425.906   20.641  450.939   28.008 -25.03268 34.79224 
1 1 1   11   16    9 o  309.539   13.536  1201.03  104.633  1255.66  127.488  1088.27  183.146  315.825   16.220  292.171   25.353 23.65381 30.09768 
1 1 1   11   16   10 o  353.972   25.573  1594.53  224.523  1594.53  224.523   0.0000   0.0000  353.972   25.573  ?   ?  0.000000 25.57251 
1 1 1   11   16   11 o  573.975   21.040  4153.99  301.568  4049.20  368.743  4365.64  524.044  565.196   26.126  581.830   36.248 -16.63409 44.68206 
1 1 1   11   16   12 o  265.931   12.350  886.089   82.011  911.107   99.794  834.044  143.937  269.037   14.912  255.961   22.756 13.07541 27.20700 
1 1 1   11   16   13 o  347.917   14.255  1518.72  123.846  1483.92  150.986  1590.30  216.511  343.014   17.687  353.494   24.682 -10.47943 30.36507 
1 1 1   11   16   14 o  136.669   9.8707  234.997   33.461  215.166   39.661  283.974   62.329  130.451   12.321  149.321   17.019 -18.87053 21.01101 
1 1 1   11   16   15 o  293.572   13.048  1080.96   95.656  1109.47  116.671  1022.51  167.071  296.694   15.804  283.078   23.857 13.61658 28.61680 
1 1 1   11   16   16 o  230.128   11.799  665.569   67.575  705.039   82.257  583.638  118.512  236.566   13.986  213.533   22.567 23.03381 26.54986 
1 1 1   11   16   17 o  469.469   22.082  2792.57  258.878  3181.22  365.935  2403.19  366.284  497.392   29.595  429.842   34.412 67.54974 45.38818 
1 1 1   11   16   18 o  248.236   14.466  777.244   89.287  793.336  124.780  760.359  127.817  249.626   20.190  244.112   21.177 5.513931 29.25965 
1 1 1   11   16   19 o  165.752   9.1470  345.090   37.714  349.737   53.751  340.584   52.931  166.362   13.043  164.161   13.019 2.200302 18.42829 
1 1 1   11   16   20 o   89.706   8.6046  101.680   19.039  121.736   28.104   84.669   25.883   97.794   11.743   81.046   13.247 16.74757 17.70230 
1 1 1   11   16   21 o  275.971   11.021  955.661   75.952  888.911  107.628  1021.88  107.197  264.884   16.351  284.354   15.151 -19.46912 22.29157 
1 1 1   11   16   22 o  299.300   10.660  1124.04   79.677  1172.73  113.277  1076.36  112.094  305.003   14.873  291.699   15.443 13.30344 21.44050 
1 1 1   11   16   23 o  294.928   15.597  1101.14  114.459   0.0000   0.0000  1101.14  114.459  ?   ?   294.928   15.597 0.000000 15.59659 
1 1 1   11   16   24 o  305.754   12.369  1175.76   94.440  1283.81  116.458  968.213  161.400  319.038   14.618  273.836   23.841 45.20187 27.96507 
1 1 1   11   16   25 o  185.198   8.6788  429.829   40.137  460.526   58.243  402.066   55.389  190.960   12.279  178.335   12.517 12.62465 17.53415 
1 1 1   11   16   26 o   70.331   9.4198   63.129   16.128   74.155   24.541   54.745   21.398   75.612   13.492   64.715   13.670 10.89737 19.20679 
1 1 1   11   16   27 o  333.367   11.489  1397.03   95.640  1465.77  136.166  1330.09  134.362  340.388   16.019  323.664   16.681 16.72354 23.12704 
1 1 1   11   16   28 o  435.788   13.419  2393.56  146.031  2483.06  207.156  2305.15  205.889  441.892   18.773  425.515   19.376 16.37631 26.97877 
1 1 1   11   16   29 o  124.285   8.1317  194.366   25.099  197.088   35.039  191.497   35.969  124.701   11.377  122.822   11.875 1.878784 16.44598 
1 1 1   11   16   30 o  310.126   10.956  1208.75   84.845  1251.67  119.961  1165.79  120.019  314.620   15.269  303.071   15.914 11.54819 22.05411 
1 1 1   11   16   31 o  172.340   16.525  379.848   70.244  535.412   90.111  138.902  112.146  204.515   17.822  104.573   35.740 99.94169 39.93730 
1 1 1   11   16   32 o  197.071   18.081  498.146   87.988  498.146   87.988   0.0000   0.0000  197.071   18.081  ?   ?  0.000000 18.08093 
1 1 1   11   16   33 o  235.737   13.697  704.302   80.283  672.145  112.109  738.151  115.021  228.418   19.852  239.610   19.389 -11.19225 27.74962 
1 1 1   11   16   34 o  133.516   9.8615  225.259   32.647  208.617   41.345  252.821   53.207  127.859   13.136  140.354   15.436 -12.49512 20.26843 
1 1 1   11   16   35 o  341.271   14.367  1477.27  122.438  1417.62  151.193  1590.91  208.693  332.239   18.294  348.516   24.128 -16.27725 30.27890 
1 1 1   11   16   36 o  131.263   10.714  218.725   34.812  194.337   44.572  256.871   55.744  122.722   14.846  140.960   16.127 -18.23783 21.91966 
1 1 1   11   16   37 o  153.516   11.152  299.541   42.459  297.766   54.643  302.246   67.450  152.122   14.562  152.068   18.119 0.5429077E-01 23.24566 
1 1 1   11   16   38 o  138.137   11.799  243.915   40.311  189.858   52.246  323.439   63.369  119.823   18.018  157.676   16.331 -37.85315 24.31768 
1 1 1   11   16   39 o   87.194   18.298  102.701   38.571  229.682   93.356   76.564   42.355  125.685   30.135   74.876   21.513 50.80863 37.02605 
1 1 1   11   16   40 o   87.541   19.208  104.815   40.837  107.018   97.645  104.348   44.957   89.218   33.032   86.791   20.976 2.426315 39.12955 
1 1 1   11   16   41 o  134.723   12.369  234.629   41.147  239.762   55.349  228.289   61.519  134.294   16.877  129.664   19.612 4.629684 25.87424 
1 1 1   11   16   42 o   63.105   21.673   51.782   41.248   0.0000   0.0000   51.782   41.248  ?   ?    63.105   21.673 0.000000 21.67273 
1 1 1   11   17    0 o  591.550   27.173  4473.29  401.404  4643.51  566.563  4301.73  568.785  594.829   38.347  571.121   40.136 23.70776 55.51014 
1 1 1   11   17    1 o  504.511   23.538  3231.41  296.548  3252.09  418.060  3210.46  420.717  500.836   33.622  497.356   34.080 3.480469 47.87328 
1 1 1   11   17    2 o  549.883   25.385  3845.13  348.571  4001.68  492.052  3687.42  493.860  555.057   35.689  531.705   37.434 23.35138 51.72009 
1 1 1   11   17    3 o  455.054   21.682  2618.74  246.382  2720.64  347.336  2515.53  349.547  460.090   30.403  441.697   31.905 18.39270 44.07122 
1 1 1   11   17    4 o  360.875   18.318  1644.49  164.536  1691.70  231.539  1596.33  233.857  364.105   25.629  353.317   26.703 10.78796 37.01162 
1 1 1   11   17    5 o  298.248   23.413  1132.77  172.976   0.0000   0.0000  1132.77  172.976  ?   ?   298.248   23.413 0.000000 23.41324 
1 1 1   11   17    6 o  207.413   13.907  542.125   71.616  540.869   99.229  543.491  103.464  206.263   19.496  206.610   20.316 -0.3468170 28.15741 
1 1 1   11   17    7 o  229.877   11.379  661.896   65.321  624.548   78.721  744.458  117.043  222.651   14.233  242.288   19.510 -19.63634 24.14983 
1 1 1   11   17    8 o  690.503   25.072  6044.62  432.328  6049.02  529.011  6035.78  750.177  688.118   30.786  677.772   44.572 10.34595 54.17008 
1 1 1   11   17    9 o  287.776   13.061  1038.34   93.864  1089.22  114.118  931.918  165.038  294.077   15.595  270.102   24.743 23.97556 29.24807 
1 1 1   11   17   10 o  388.079   15.611  1891.79  151.290  1922.77  184.429  1828.04  264.536  390.699   18.903  377.933   28.234 12.76608 33.97755 
1 1 1   11   17   11 o  319.167   23.893  1297.10  189.054  1297.10  189.054   0.0000   0.0000  319.167   23.893  ?   ?  0.000000 23.89344 
1 1 1   11   17   12 o  131.580   11.034  218.367   35.922  257.567   42.711  123.615   66.403  142.851   12.086   97.072   26.603 45.77949 29.22018 
1 1 1   11   17   13 o  374.122   15.217  1758.48  142.163  1813.31  173.606  1646.88  247.685  379.382   18.325  358.439   27.891 20.94315 33.37233 
1 1 1   11   17   14 o  486.829   17.816  2985.52  216.593  2792.66  264.465  3378.39  377.462  469.597   22.552  513.123   29.583 -43.52606 37.19917 
1 1 1   11   17   15 o  497.702   18.677  3124.62  232.131  3097.09  283.821  3180.23  403.434  494.210   22.998  495.928   32.761 -1.718201 40.02711 
1 1 1   11   17   16 o  141.257   10.345  251.298   36.238  261.375   43.134  227.121   66.810  143.852   12.120  132.428   20.896 11.42368 24.15656 
1 1 1   11   17   17 o  159.610   10.084  320.417   39.984  303.488   47.964  358.983   72.394  155.008   12.497  167.821   17.533 -12.81326 21.53145 
1 1 1   11   17   18 o  394.613   18.755  1968.63  184.812  1809.50  259.776  2131.71  262.979  374.553   27.976  407.564   25.974 -33.01089 38.17471 
1 1 1   11   17   19 o  158.852   10.038  317.524   39.616  302.589   47.935  349.707   70.365  154.716   12.514  165.551   17.275 -10.83427 21.33145 
1 1 1   11   17   20 o  574.416   21.337  4196.01  306.060  4316.61  374.894  3955.00  529.972  580.135   25.878  544.894   39.211 35.24152 46.98019 
1 1 1   11   17   21 o  392.988   15.404  1948.09  151.165  1914.23  184.824  2016.50  262.719  388.516   19.050  394.970   26.795 -6.453583 32.87680 
1 1 1   11   17   22 f   94.751   12.808  114.937   29.528   0.0000   0.0000  114.937   29.528  ?   ?    94.751   12.808 0.000000 12.80786 
1 1 1   11   17   23 o  387.089   15.312  1891.65  148.014  1846.40  181.193  1982.43  256.611  381.291   19.030  391.241   26.420 -9.949341 32.55991 
1 1 1   11   17   24 o   92.750   8.7429  108.759   20.011  120.995   29.885   98.813   26.943   97.272   12.599   87.735   12.664 9.537323 17.86389 
1 1 1   11   17   25 o  173.701   8.7589  379.125   37.871  385.060   55.000  373.773   52.222  174.454   12.713  171.948   12.242 2.505280 17.64864 
1 1 1   11   17   26 o  367.877   12.420  1703.13  114.098  1826.07  162.236  1582.82  160.497  379.585   17.115  352.582   18.292 27.00256 25.05025 
1 1 1   11   17   27 o  303.293   10.804  1155.54   81.828  1191.90  116.499  1120.14  114.961  307.118   15.190  297.258   15.541 9.860107 21.73166 
1 1 1   11   17   28 o  181.620   8.9007  413.591   40.368  446.597   57.749  382.051   56.451  187.965   12.372  173.653   13.115 14.31230 18.02962 
1 1 1   11   17   29 o  263.841   9.1990  873.141   60.609  937.917   86.121  809.576   85.312  272.902   12.637  253.032   13.551 19.87012 18.52897 
1 1 1   11   17   30 o  187.197   9.8111  441.060   45.704  483.514   64.138  397.265   65.144  195.407   13.222  176.684   14.904 18.72324 19.92326 
1 1 1   11   17   31 o  663.510   20.522  5629.48  340.023  5782.60  480.602  5476.03  481.129  664.764   28.951  645.996   29.825 18.76764 41.56567 
1 1 1   11   17   32 o  324.544   13.815  1330.09  111.962  1270.27  137.966  1445.48  191.607  315.604   17.575  334.252   23.097 -18.64761 29.02369 
1 1 1   11   17   33 o  142.970   10.415  258.305   36.927  239.969   46.924  288.130   59.846  137.120   13.896  149.825   16.256 -12.70503 21.38607 
1 1 1   11   17   34 o  282.524   15.675  1016.50  110.158  1016.50  110.158   0.0000   0.0000  282.524   15.675  ?   ?  0.000000 15.67537 
1 1 1   11   17   35 o  275.473   21.843  987.965  149.026  987.965  149.026   0.0000   0.0000  275.473   21.843  ?   ?  0.000000 21.84280 
1 1 1   11   17   36 o  169.245   12.285  364.296   51.568  325.901   71.348  406.291   74.618  158.215   18.402  177.341   17.060 -19.12645 25.09337 
1 1 1   11   17   37 o  257.591   12.286  841.430   79.028  879.560   99.078  774.744  131.028  261.882   15.216  242.318   21.890 19.56331 26.65880 
1 1 1   11   17   38 o   51.276   15.279   34.243   21.032   42.881   28.405   23.761   31.290   57.500   17.883   49.186   18.598 8.314388 25.80142 
1 1 1   11   17   39 o  145.455   11.619  270.760   41.852  280.356   55.289  257.884   64.047  146.744   15.313  139.202   18.915 7.542236 24.33637 
1 1 1   11   17   40 f   94.172   13.336  115.913   30.485  117.686   42.446  114.024   43.810   92.990   18.922   91.189   19.806 1.801598 27.39234 
1 1 1   11   17   41 o  140.262   12.666  254.534   43.885  230.169   59.525  283.547   64.955  130.646   18.786  145.488   18.282 -14.84225 26.21355 
1 1 1   11   17   42 o   90.482   20.878  114.677   46.214   0.0000   0.0000  114.677   46.214  ?   ?    90.482   20.878 0.000000 20.87782 
1 1 1   11   18    0 o  206.645   19.522  545.607   99.544  545.607   99.544   0.0000   0.0000  206.645   19.522  ?   ?  0.000000 19.52151 
1 1 1   11   18    1 o  305.820   16.377  1182.37  124.617  1124.31  173.223  1244.64  179.411  296.218   23.614  311.890   23.201 -15.67249 33.10473 
1 1 1   11   18    2 o  344.102   17.780  1498.23  152.258  1497.33  213.071  1499.18  217.654  341.759   25.143  341.777   25.690 -0.1791382E-01 35.94623 
1 1 1   11   18    3 o  256.877   15.362  833.108   98.093  909.630  136.707  751.896  140.834  267.303   20.640  242.131   23.592 25.17201 31.34622 
1 1 1   11   18    4 o  301.253   16.306  1145.78  122.208  1122.97  170.670  1169.77  175.071  296.553   23.232  302.672   23.343 -6.118622 32.93374 
1 1 1   11   18    5 o  243.738   14.875  749.426   90.105  788.955  125.294  707.084  129.675  249.032   20.325  235.201   22.347 13.83116 30.20727 
1 1 1   11   18    6 o  195.273   20.266  486.803   97.386   0.0000   0.0000  486.803   97.386  ?   ?   195.273   20.266 0.000000 20.26640 
1 1 1   11   18    7 o  483.954   22.789  2967.97  275.415  3130.85  388.685  2803.72  390.313  492.728   31.758  465.173   33.832 27.55527 46.40290 
1 1 1   11   18    8 o  512.492   18.896  3312.69  241.824  3180.63  295.222  3581.98  421.581  500.764   23.608  527.012   32.188 -26.24777 39.91781 
1 1 1   11   18    9 o  332.599   13.624  1388.49  113.152  1337.58  137.510  1495.24  199.129  325.543   16.974  342.642   23.413 -17.09836 28.91823 
1 1 1   11   18   10 o  339.290   13.607  1444.94  115.290  1366.79  140.128  1608.68  202.831  329.052   17.112  355.572   22.966 -26.52020 28.64032 
1 1 1   11   18   11 o  156.995   18.421  314.886   70.847  314.886   70.847   0.0000   0.0000  156.995   18.421  ?   ?  0.000000 18.42122 
1 1 1   11   18   12 o  107.013   19.293  148.858   49.660  148.858   49.660   0.0000   0.0000  107.013   19.293  ?   ?  0.000000 19.29272 
1 1 1   11   18   13 o  340.623   13.581  1456.79  115.521  1384.54  140.530  1607.36  202.873  331.110   17.054  355.245   22.992 -24.13434 28.62651 
1 1 1   11   18   14 o  514.803   19.162  3347.37  246.338  3317.50  301.142  3407.79  428.267  510.991   23.600  512.365   33.659 -1.374634 41.10847 
1 1 1   11   18   15 o  278.833   12.115  975.451   84.358  919.580  102.203  1094.87  149.423  269.935   15.224  293.405   20.523 -23.47037 25.55321 
1 1 1   11   18   16 o  580.812   21.052  4276.86  305.340  4147.59  373.316  4538.12  530.709  569.578   26.247  588.604   36.283 -19.02533 44.78113 
1 1 1   11   18   17 o  322.653   13.539  1308.60  109.087  1304.09  132.964  1317.86  190.796  321.135   16.637  320.668   24.001 0.4668884 29.20340 
1 1 1   11   18   18 o  263.214   14.906  875.231   97.576  872.983  135.714  877.636  140.391  261.397   20.967  261.899   21.661 -0.5013733 30.14647 
1 1 1   11   18   19 o  400.284   15.601  2020.62  155.940  2026.29  190.658  2009.17  271.034  399.859   19.094  394.077   27.718 5.781433 33.65834 
1 1 1   11   18   20 o  242.501   11.545  738.516   69.913  739.297   84.907  736.873  123.206  241.883   14.118  239.843   20.776 2.040222 25.11910 
1 1 1   11   18   21 o  225.633   11.381  641.020   63.922  666.458   77.794  588.150  112.154  229.669   13.625  213.846   21.285 15.82303 25.27237 
1 1 1   11   18   22 o  292.770   12.966  1078.79   94.793  1101.43  115.841  1032.90  164.917  294.856   15.790  283.009   23.549 11.84708 28.35285 
1 1 1   11   18   23 o  179.622   10.253  406.225   45.801  442.941   55.814  330.524   80.143  187.313   11.995  159.823   20.557 27.48969 23.80085 
1 1 1   11   18   24 f  244.350   11.356  750.339   69.292  791.823   85.058  668.495  119.474  250.292   13.660  227.893   21.239 22.39902 25.25237 
1 1 1   11   18   25 o  392.893   13.295  1944.94  130.446  2029.22  185.120  1861.81  183.843  399.613   18.551  382.030   19.334 17.58307 26.79412 
1 1 1   11   18   26 f  224.906   9.7056  634.695   54.510  574.225   77.842  692.877   76.356  212.749   14.743  234.157   13.111 -21.40791 19.72943 
1 1 1   11   18   27 o  101.148   8.2397  129.047   20.631  140.579   30.397  119.197   28.093  105.076   11.788   96.631   11.893 8.444641 16.74520 
1 1 1   11   18   28 o  282.527   9.8019  1001.81   69.155  1078.04   98.395  927.410   97.215  292.408   13.475  270.647   14.436 21.76065 19.74794 
1 1 1   11   18   29 o  155.743   9.0136  305.214   34.906  312.567   49.174  297.747   49.557  157.036   12.647  153.162   13.082 3.874527 18.19593 
1 1 1   11   18   30 o  418.019   14.885  2209.03  155.377  2402.08  219.728  2015.94  219.744  433.613   20.292  395.719   22.328 37.89404 30.17176 
1 1 1   11   18   31 o  548.541   19.628  3841.32  268.873  3968.65  330.027  3589.99  463.668  554.683   23.826  515.872   36.222 38.81134 43.35601 
1 1 1   11   18   32 o  364.876   14.177  1682.58  129.178  1660.54  159.009  1725.34  221.530  361.295   17.624  364.430   24.485 -3.134918 30.16815 
1 1 1   11   18   33 o  246.597   10.745  764.927   66.168  763.114   82.539  768.187  110.690  245.418   13.520  244.794   18.238 0.6237488 22.70310 
1 1 1   11   18   34 o  306.889   12.554  1188.98   96.208  1244.61  119.299  1085.51  162.703  313.168   15.255  288.846   22.741 24.32220 27.38342 
1 1 1   11   18   35 o  449.863   17.220  2586.02  193.451  2541.94  237.891  2672.09  332.394  443.192   21.495  446.225   30.004 -3.033661 36.90898 
1 1 1   11   18   36 o  271.116   12.177  930.117   82.444  954.534  103.126  886.874  137.237  273.258   15.172  260.452   21.287 12.80661 26.14045 
1 1 1   11   18   37 o  154.902   10.983  304.838   42.209  289.869   54.850  326.575   66.096  149.966   14.841  158.538   16.958 -8.571793 22.53544 
1 1 1   11   18   38 o  176.528   14.989  402.302   65.452  402.302   65.452   0.0000   0.0000  176.528   14.989  ?   ?  0.000000 14.98929 
1 1 1   11   18   39 o  124.865   19.465  209.024   58.715  209.024   58.715   0.0000   0.0000  124.865   19.465  ?   ?  0.000000 19.46499 
1 1 1   11   18   40 o   93.503   14.188  114.951   32.088  108.062   49.466  119.956   42.163   87.917   22.452   94.012   18.618 -6.094604 29.16715 
1 1 1   11   18   41 o   61.115   17.004   50.559   26.900   29.975   42.923   63.871   34.520   55.501   21.577   68.256   19.359 -12.75510 28.98912 
1 1 1   11   18   42 o   49.642   18.503   26.761   30.739   0.0000   0.0000   26.761   30.739  ?   ?    49.642   18.503 0.000000 18.50312 
1 1 1   11   19    0 o  100.915   15.307  131.349   37.364  131.056   47.967  131.801   59.584   99.842   19.937   99.465   24.216 0.3769150 31.36699 
1 1 1   11   19    1 o  566.474   38.448  4280.38  540.664  4280.38  540.664   0.0000   0.0000  566.474   38.448  ?   ?  0.000000 38.44820 
1 1 1   11   19    2 o  191.307   13.832  462.896   65.633  451.354   88.654  476.894   97.632  187.784   19.174  192.722   20.606 -4.937698 28.14725 
1 1 1   11   19    3 o  325.234   17.478  1340.12  141.429  1459.80  197.954  1215.34  202.134  337.509   23.636  306.719   26.656 30.79013 35.62565 
1 1 1   11   19    4 o  105.349   14.634  142.283   37.459  140.824   48.498  144.441   58.975  103.858   19.413  104.538   23.197 -0.6804047 30.24907 
1 1 1   11   19    5 o  261.640   15.386  864.860  100.085  913.907  139.197  812.365  144.008  267.663   20.994  251.667   23.175 15.99561 31.26987 
1 1 1   11   19    6 o  215.258   14.004  584.890   74.869  565.300  103.194  606.661  108.788  210.448   19.871  217.995   20.214 -7.547028 28.34575 
1 1 1   11   19    7 o  494.191   33.746  3179.78  413.964   0.0000   0.0000  3179.78  413.964  ?   ?   494.191   33.746 0.000000 33.74589 
1 1 1   11   19    8 o  186.842   13.774  440.974   63.813  483.774   87.606  392.599   93.138  194.943   18.207  174.649   21.832 20.29430 28.42775 
1 1 1   11   19    9 o  522.745   24.369  3479.02  318.112  3683.78  449.081  3272.80  450.681  532.140   33.972  500.011   36.343 32.12866 49.74829 
1 1 1   11   19   10 o  251.034   11.462  790.260   71.853  734.358   86.520  914.516  128.991  241.265   14.427  268.300   19.383 -27.03461 24.16255 
1 1 1   11   19   11 o  416.471   16.523  2185.41  171.841  2273.59  209.774  2005.52  299.613  423.952   19.815  393.534   30.732 30.41730 36.56572 
1 1 1   11   19   12 o  375.272   26.761  1809.52  249.141  1809.52  249.141   0.0000   0.0000  375.272   26.761  ?   ?  0.000000 26.76110 
1 1 1   11   19   13 o  361.779   14.675  1646.45  132.576  1662.89  161.493  1612.48  232.175  362.941   17.818  354.170   26.442 8.770721 31.88538 
1 1 1   11   19   14 o  419.661   16.607  2220.74  174.041  2316.32  212.602  2026.57  303.032  427.681   19.907  395.044   30.966 32.63742 36.81251 
1 1 1   11   19   15 o  177.740   10.849  397.636   47.924  421.900   57.431  341.995   86.970  182.846   12.656  162.653   21.974 20.19337 25.35826 
1 1 1   11   19   16 o  299.421   13.126  1126.90   98.144  1184.05  119.424  1007.99  172.253  306.097   15.676  279.748   24.918 26.34872 29.43931 
1 1 1   11   19   17 o  137.532   10.018  238.379   34.170  230.870   40.145  258.127   65.101  135.057   12.029  141.566   18.886 -6.508972 22.39182 
1 1 1   11   19   18 o   82.631   13.570   88.123   27.029   76.753   33.163  110.623   46.652   76.395   17.726   91.511   20.876 -15.11599 27.38666 
1 1 1   11   19   19 o  282.458   15.468  1009.71  108.690  1000.70  151.503  1019.26  156.018  279.326   21.895  281.762   22.358 -2.436035 31.29321 
1 1 1   11   19   20 o  206.288   11.426  536.171   58.628  598.772   70.958  401.509  104.072  217.733   13.112  175.365   24.428 42.36734 27.72486 
1 1 1   11   19   21 o  233.365   20.751  699.223  119.665   0.0000   0.0000  699.223  119.665  ?   ?   233.365   20.751 0.000000 20.75084 
1 1 1   11   19   22 o  180.344   12.827  411.432   57.389  411.432   57.389   0.0000   0.0000  180.344   12.827  ?   ?  0.000000 12.82669 
1 1 1   11   19   23 o  187.205   10.567  441.447   49.199  451.727   59.767  419.839   86.650  189.010   12.737  180.636   19.520 8.373642 23.30767 
1 1 1   11   19   24 o   79.712   11.025   81.325   21.359   91.768   25.407   56.159   39.442   84.516   12.408   66.712   21.121 17.80386 24.49610 
1 1 1   11   19   25 f  357.392   26.084  1660.06  231.182  1660.06  231.182   0.0000   0.0000  357.392   26.084  ?   ?  0.000000 26.08369 
1 1 1   11   19   26 o  155.157   18.498  310.185   70.258  310.185   70.258   0.0000   0.0000  155.157   18.498  ?   ?  0.000000 18.49765 
1 1 1   11   19   27 o   83.173   20.796   91.805   43.079   91.805   43.079   0.0000   0.0000   83.173   20.796  ?   ?  0.000000 20.79609 
1 1 1   11   19   28 o   98.160   9.7232  122.101   23.520  153.888   27.987   45.672   43.398  110.225   10.287   63.186   22.200 47.03944 24.46744 
1 1 1   11   19   29 o  217.112   9.6072  591.607   52.087  607.779   73.500  575.291   73.826  219.107   13.499  213.048   13.954 6.059433 19.41460 
1 1 1   11   19   30 o  470.753   15.705  2806.30  184.624  2785.99  260.699  2826.74  261.499  465.673   22.419  469.123   22.322 -3.449768 31.63638 
1 1 1   11   19   31 o  472.827   18.094  2845.80  213.639  2823.01  262.014  2891.02  369.023  468.556   22.393  466.402   31.875 2.153900 38.95470 
1 1 1   11   19   32 o  178.005   10.109  399.392   44.752  347.358   55.913  492.144   74.651  165.293   13.669  196.537   15.332 -31.24414 20.53996 
1 1 1   11   19   33 o  262.079   15.770  874.675  102.726  776.747  149.214  962.909  141.635  243.370   24.903  273.046   20.932 -29.67632 32.53144 
1 1 1   11   19   34 o  221.687   15.962  627.947   87.772  417.990  128.958  809.153  119.804  175.075   30.611  250.540   19.297 -75.46480 36.18623 
1 1 1   11   19   35 o  385.356   19.843  1917.84  190.304  1819.86  272.793  2010.74  265.612  367.670   29.972  388.731   27.540 -21.06030 40.70387 
1 1 1   11   19   36 o   85.142   11.300   93.129   23.432   87.601   32.815   98.880   33.472   81.308   16.720   86.665   16.058 -5.357048 23.18206 
1 1 1   11   19   37 o  142.921   10.740  259.585   38.051  256.321   49.975  264.088   58.694  141.044   14.391  142.396   16.832 -1.352966 22.14491 
1 1 1   11   19   38 o  170.306   10.876  368.845   46.011  387.633   60.348  342.762   71.106  173.574   14.043  161.650   17.916 11.92456 22.76405 
1 1 1   11   19   39 o  102.149   12.070  134.700   30.195  134.507   43.760  134.876   41.717  100.116   18.173  100.592   17.227 -0.4761505 25.04024 
1 1 1   11   19   40 o   50.915   15.485   33.938   21.441   33.505   37.578   34.147   26.107   55.172   20.479   52.008   17.241 3.163315 26.77010 
1 1 1   11   19   41 o   62.303   18.556   52.449   31.025   0.0000   0.0000   52.449   31.025  ?   ?    62.303   18.556 0.000000 18.55574 
1 1 1   11   20    0 o  261.110   15.937  866.277  103.420  1012.18  143.355  707.922  149.346  280.752   20.591  232.456   26.184 48.29614 33.31039 
1 1 1   11   20    1 o  150.388   13.984  287.641   51.913  352.503   69.577  206.188   77.970  165.945   17.032  124.195   25.976 41.74986 31.06134 
1 1 1   11   20    2 o  413.875   20.665  2183.69  213.581  2321.45  299.161  2040.48  305.024  421.953   28.560  393.829   31.273 28.12485 42.35140 
1 1 1   11   20    3 o  139.958   13.943  249.172   48.082  254.755   62.101  240.816   75.973  140.665   18.099  135.393   23.312 5.272141 29.51267 
1 1 1   11   20    4 f  219.192   14.071  607.604   76.613  568.748  104.755  652.286  112.337  210.616   20.164  225.684   20.145 -15.06845 28.50243 
1 1 1   11   20    5 o  111.257   13.957  158.218   37.922  127.230   48.296  208.042   61.240   98.336   20.339  126.528   20.050 -28.19279 28.56011 
1 1 1   11   20    6 o  438.181   21.040  2441.21  230.221  2432.21  323.617  2450.43  327.581  432.367   30.162  433.837   30.430 -1.470001 42.84520 
1 1 1   11   20    7 o  435.789   21.068  2413.58  229.272  2479.41  322.488  2346.31  326.021  437.012   29.727  424.377   30.978 12.63507 42.93439 
1 1 1   11   20    8 o  130.594   21.437  222.154   67.485   0.0000   0.0000  222.154   67.485  ?   ?   130.594   21.437 0.000000 21.43744 
1 1 1   11   20    9 o  291.996   16.310  1078.86  118.449  1178.74  165.717  974.537  169.368  303.649   22.004  275.016   24.933 28.63290 33.25378 
1 1 1   11   20   10 o  244.440   14.759  755.027   89.669  764.509  124.135  744.681  129.667  244.639   20.509  241.079   21.774 3.559494 29.91179 
1 1 1   11   20   11 o  303.908   12.796  1160.56   97.109  1109.23  117.510  1271.13  172.457  296.176   15.947  315.372   22.037 -19.19583 27.20141 
1 1 1   11   20   12 o  292.068   12.960  1072.14   94.526  1077.05  114.566  1061.68  167.298  291.861   15.778  287.593   23.500 4.267853 28.30545 
1 1 1   11   20   13 o  296.660   22.866  1128.07  168.087  1128.07  168.087   0.0000   0.0000  296.660   22.866  ?   ?  0.000000 22.86575 
1 1 1   11   20   14 o  243.843   12.293  748.868   74.617  854.889   90.372  521.795  132.258  260.262   13.956  199.751   27.224 60.51111 30.59235 
1 1 1   11   20   15 o  177.907   10.314  398.280   45.624  381.334   54.119  439.915   84.829  173.740   12.558  185.476   18.564 -11.73634 22.41302 
1 1 1   11   20   16 f  109.387   10.299  151.402   27.801  138.769   31.869  191.626   56.867  104.342   12.478  121.458   19.402 -17.11591 23.06851 
1 1 1   11   20   17 o  355.792   14.497  1595.54  128.806  1610.40  156.865  1564.77  225.681  356.650   17.613  347.787   26.178 8.863159 31.55120 
1 1 1   11   20   18 o  357.101   14.533  1607.92  129.599  1632.33  157.922  1557.58  226.800  358.980   17.617  346.695   26.395 12.28461 31.73378 
1 1 1   11   20   19 o  149.722   12.592  283.983   46.644  279.041   61.724  290.562   71.219  147.518   17.071  149.999   19.473 -2.480957 25.89605 
1 1 1   11   20   20 o   88.937   11.223  100.926   24.371   96.791   27.738  114.922   51.032   86.703   13.230   92.988   22.270 -6.285706 25.90392 
1 1 1   11   20   21 o  220.979   11.727  615.681   64.478  704.123   78.041  425.464  114.451  236.045   13.294  179.773   26.270 56.27266 29.44203 
1 1 1   11   20   22 o  140.607   9.8962  249.319   34.526  241.603   40.719  269.057   65.128  138.091   11.925  144.404   18.485 -6.312897 21.99792 
1 1 1   11   20   23 o  417.138   16.087  2202.45  167.578  2267.14  204.983  2072.10  290.987  421.899   19.456  397.333   29.538 24.56573 35.37021 
1 1 1   11   20   24 o  163.160   10.295  335.596   41.731  367.991   50.637  267.019   73.676  170.609   11.961  143.063   21.270 27.54619 24.40243 
1 1 1   11   20   25 o  419.825   29.555  2315.52  307.876  2315.52  307.876   0.0000   0.0000  419.825   29.555  ?   ?  0.000000 29.55539 
1 1 1   11   20   26 f  422.282   15.990  2258.04  168.621  2306.22  206.744  2162.32  291.421  425.336   19.465  405.958   28.936 19.37723 34.87381 
1 1 1   11   20   27 o  470.788   17.367  2814.00  204.177  2983.22  250.402  2478.27  352.698  483.025   20.760  431.576   32.976 51.44910 38.96613 
1 1 1   11   20   28 o  247.165   11.966  768.949   73.855  808.920   90.249  687.907  128.505  252.667   14.363  230.400   22.627 22.26733 26.80061 
1 1 1   11   20   29 o  106.982   9.8178  144.887   25.936  161.236   30.169   98.581   50.774  112.745   10.850   86.059   23.129 26.68651 25.54762 
1 1 1   11   20   30 o  221.169   14.371  620.726   78.942  620.726   78.942   0.0000   0.0000  221.169   14.371  ?   ?  0.000000 14.37119 
1 1 1   11   20   31 o  382.530   17.743  1862.17  169.494  1862.17  169.494   0.0000   0.0000  382.530   17.743  ?   ?  0.000000 17.74343 
1 1 1   11   20   32 f   83.821   11.983   90.270   24.368   90.270   24.368   0.0000   0.0000   83.821   11.983  ?   ?  0.000000 11.98288 
1 1 1   11   20   33 o  187.851   12.210  446.900   56.964  446.900   56.964   0.0000   0.0000  187.851   12.210  ?   ?  0.000000 12.20964 
1 1 1   11   20   34 o  240.337   11.839  728.759   71.055  668.609   87.757  843.256  121.077  228.884   15.444  255.764   19.095 -26.88071 24.55870 
1 1 1   11   20   35 o  552.375   20.990  3950.70  289.528  3937.36  355.077  3977.17  500.128  546.221   26.032  532.351   37.868 13.86987 45.95268 
1 1 1   11   20   36 o  160.839   10.028  327.341   40.078  330.539   51.188  322.275   64.428  160.949   12.843  157.787   16.600 3.162125 20.98817 
1 1 1   11   20   37 o  105.992   11.350  143.806   29.574  108.159   39.808  187.711   44.179   89.923   18.349  120.263   15.040 -30.33982 23.72502 
1 1 1   11   20   38 o  162.159   10.812  334.581   43.531  322.137   56.507  352.747   68.273  157.932   14.489  164.384   16.871 -6.451950 22.23901 
1 1 1   11   20   39 o  125.074   11.503  200.649   35.525  170.219   48.484  235.924   52.201  113.025   17.764  134.194   15.886 -21.16856 23.83107 
1 1 1   11   20   40 o  113.701   13.281  168.120   36.997  250.341   77.208  143.613   42.152  133.921   23.967  103.712   16.854 30.20830 29.29977 
1 1 1   11   20   41 o  161.917   17.698  349.272   70.394   0.0000   0.0000  349.272   70.394  ?   ?   161.917   17.698 0.000000 17.69806 
1 1 1   11   21    0 o  142.476   14.367  259.296   50.418  330.365   66.426  162.716   77.436  160.382   16.837  109.379   28.177 51.00337 32.82423 
1 1 1   11   21    1 o  167.717   13.735  357.538   57.021  350.218   75.103  367.499   87.614  164.780   18.576  168.009   21.366 -3.229385 28.31211 
1 1 1   11   21    2 o  133.252   14.139  226.696   46.329  282.843   61.199  151.323   70.907  148.396   16.811  105.904   26.792 42.49247 31.62937 
1 1 1   11   21    3 o  167.000   13.654  354.074   56.443  358.647   74.922  348.074   85.828  167.012   18.262  163.587   21.534 3.425110 28.23460 
1 1 1   11   21    4 o  247.124   20.817  785.086  127.270  785.086  127.270   0.0000   0.0000  247.124   20.817  ?   ?  0.000000 20.81718 
1 1 1   11   21    5 o  232.054   14.680  682.337   84.630  711.619  116.416  649.519  123.247  235.563   19.979  224.241   22.306 11.32237 29.94473 
1 1 1   11   21    6 o  143.510   14.027  262.030   49.625  321.182   65.671  183.290   75.768  158.428   16.858  116.956   26.550 41.47128 31.44971 
1 1 1   11   21    7 o  202.057   13.685  516.606   68.642  483.222   93.012  556.534  101.721  194.064   19.455  208.300   19.793 -14.23541 27.75382 
1 1 1   11   21    8 o   68.914   16.641   62.438   28.314   31.305   34.425  127.527   49.777   54.365   19.695   98.274   20.925 -43.90961 28.73576 
1 1 1   11   21    9 o  305.870   24.116  1206.10  182.707   0.0000   0.0000  1206.10  182.707  ?   ?   305.870   24.116 0.000000 24.11599 
1 1 1   11   21   10 o  187.587   13.329  445.092   62.033  406.394   83.816  491.963   92.245  177.954   19.163  195.998   19.089 -18.04430 27.04863 
1 1 1   11   21   11 o  271.834   15.535  935.667  105.014  952.977  145.729  916.969  151.462  272.603   21.584  266.914   22.947 5.688690 31.50274 
1 1 1   11   21   12 o  200.621   10.910  506.738   54.453  492.990   64.782  539.838  100.520  197.490   13.212  205.189   19.866 -7.699005 23.85864 
1 1 1   11   21   13 o  241.423   11.578  732.225   69.803  709.034   83.833  784.648  126.042  236.781   14.244  247.482   20.582 -10.70079 25.03007 
1 1 1   11   21   14 o   83.524   18.983   92.001   38.696   92.001   38.696   0.0000   0.0000   83.524   18.983  ?   ?  0.000000 18.98319 
1 1 1   11   21   15 o   97.773   10.645  121.399   25.571  112.960   28.892  151.903   54.931   93.936   12.637  107.373   21.239 -13.43727 24.71435 
1 1 1   11   21   16 o  201.999   11.151  514.081   56.032  546.325   67.066  439.551  101.964  207.933   12.981  184.065   22.662 23.86765 26.11646 
1 1 1   11   21   17 o  457.002   17.416  2647.03  198.758  2622.56  242.456  2697.18  347.055  453.159   21.426  453.276   30.844 -0.1161499 37.55569 
1 1 1   11   21   18 o  261.122   11.952  857.540   77.935  841.886   94.075  891.790  139.148  257.854   14.671  263.414   21.337 -5.559784 25.89392 
1 1 1   11   21   19 o   61.185   15.437   49.147   23.586   59.820   27.523   19.638   45.764   67.420   16.485   54.878   21.983 12.54185 27.47715 
1 1 1   11   21   20 o  169.161   10.743  360.896   45.146  383.180   53.535  306.035   83.998  174.045   12.399  152.971   22.676 21.07434 25.84430 
1 1 1   11   21   21 o  163.483   12.357  338.317   50.075  338.317   50.075   0.0000   0.0000  163.483   12.357  ?   ?  0.000000 12.35719 
1 1 1   11   21   22 o  171.697   10.352  371.559   44.178  377.375   52.515  357.479   81.717  172.719   12.255  166.257   20.090 6.461868 23.53275 
1 1 1   11   21   23 o  177.459   10.407  396.897   45.919  405.042   54.890  377.907   83.813  178.939   12.360  171.003   20.005 7.936142 23.51526 
1 1 1   11   21   24 o  253.030   12.194  806.059   77.047  901.854   93.548  604.039  135.850  266.917   14.085  214.593   25.873 52.32356 29.45796 
1 1 1   11   21   25 o  479.233   33.170  3057.66  394.516  3057.66  394.516   0.0000   0.0000  479.233   33.170  ?   ?  0.000000 33.17013 
1 1 1   11   21   26 f  497.987   18.419  3156.30  229.056  3222.66  280.610  3023.80  396.524  500.902   22.434  476.100   33.567 24.80243 40.37328 
1 1 1   11   21   27 o  200.631   10.251  506.925   51.189  555.558   62.805  410.688   88.348  209.728   12.042  178.222   20.208 31.50557 23.52439 
1 1 1   11   21   28 o  224.333   10.353  632.281   57.998  665.299   70.615  563.836  101.670  229.487   12.368  209.292   19.684 20.19510 23.24744 
1 1 1   11   21   29 o  297.920   23.048  1149.31  170.134   0.0000   0.0000  1149.31  170.134  ?   ?   297.920   23.048 0.000000 23.04803 
1 1 1   11   22    0 o  220.970   22.097  636.614  120.295   0.0000   0.0000  636.614  120.295  ?   ?   220.970   22.097 0.000000 22.09655 
1 1 1   11   22    1 o  393.362   19.828  1989.17  194.147  2004.70  271.321  1972.87  277.929  389.351   28.094  385.466   29.088 3.884674 40.43987 
1 1 1   11   22    2 o  216.514   14.290  595.737   76.826  579.618  103.685  615.360  114.402  211.851   19.830  217.792   21.308 -5.941360 29.10736 
1 1 1   11   22    3 o  266.918   16.078  907.351  106.667  1019.69  147.404  783.856  154.549  281.057   21.157  244.273   25.723 36.78358 33.30604 
1 1 1   11   22    4 o  123.092   14.297  194.029   43.127  233.143   56.018  137.103   67.579  134.432   17.072  100.807   26.497 33.62492 31.52031 
1 1 1   11   22    5 o  160.500   18.152  331.827   71.473  331.827   71.473   0.0000   0.0000  160.500   18.152  ?   ?  0.000000 18.15178 
1 1 1   11   22    6 o  304.860   16.956  1183.04  128.577  1290.25  179.169  1069.20  184.626  316.006   22.859  286.026   26.137 29.97968 34.72312 
1 1 1   11   22    7 o  184.741   13.893  433.070   63.624  465.787   85.799  393.100   94.833  190.559   18.254  173.719   22.381 16.84076 28.88086 
1 1 1   11   22    8 f  134.840   13.129  231.253   43.648  192.543   56.064  290.818   69.545  121.603   19.091  150.031   18.988 -28.42789 26.92598 
1 1 1   11   22    9 o  297.589   16.798  1125.81  124.320  1264.91  173.311  978.369  178.432  313.425   22.288  273.734   26.432 39.69147 34.57498 
1 1 1   11   22   10 o  135.425   21.547  239.928   70.426   0.0000   0.0000  239.928   70.426  ?   ?   135.425   21.547 0.000000 21.54687 
1 1 1   11   22   11 o   89.300   15.465  103.601   33.238  122.169   41.597   70.809   55.281   96.639   17.896   75.669   25.088 20.96998 30.81700 
1 1 1   11   22   12 o  224.436   14.217  638.033   79.269  634.140  108.518  642.486  116.067  222.287   19.756  223.349   21.059 -1.062683 28.87474 
1 1 1   11   22   13 o  262.866   15.185  875.964   99.254  870.737  137.178  881.708  143.787  260.203   21.298  261.509   22.229 -1.306458 30.78551 
1 1 1   11   22   14 f   67.376   12.769   59.019   20.697   62.672   22.684   40.870   50.566   69.341   13.586   63.740   23.737 5.600952 27.34990 
1 1 1   11   22   15 o  220.898   19.564  626.179  106.803  626.179  106.803   0.0000   0.0000  220.898   19.564  ?   ?  0.000000 19.56394 
1 1 1   11   22   16 o  251.441   11.756  795.252   73.817  774.245   88.653  842.736  133.289  247.232   14.422  255.971   21.038 -8.738754 25.50707 
1 1 1   11   22   17 o  386.372   15.555  1888.47  150.080  1924.32  182.729  1814.17  263.085  388.853   18.818  372.082   28.532 16.77106 34.17854 
1 1 1   11   22   18 o  178.901   10.598  403.471   47.135  408.454   55.705  390.911   88.441  179.674   12.493  173.737   20.799 5.937515 24.26219 
1 1 1   11   22   19 o  141.333   20.794  260.416   71.195   0.0000   0.0000  260.416   71.195  ?   ?   141.333   20.794 0.000000 20.79389 
1 1 1   11   22   20 o  232.303   19.838  693.349  113.977  693.349  113.977   0.0000   0.0000  232.303   19.838  ?   ?  0.000000 19.83792 
1 1 1   11   22   21 o  291.049   13.270  1068.26   96.446  1169.96  116.934  851.850  170.570  303.672   15.471  254.621   27.249 49.05084 31.33487 
1 1 1   11   22   22 o  280.677   12.119  991.918   84.940  939.089  102.417  1108.32  152.026  272.061   15.135  293.605   20.871 -21.54419 25.78095 
1 1 1   11   22   23 o  212.907   10.855  571.286   57.519  554.099   68.796  611.208  104.848  209.197   13.237  218.068   19.458 -8.870224 23.53407 
1 1 1   11   22   24 o  249.146   12.269  781.851   76.331  901.288   92.634  529.224  134.723  266.809   13.952  199.801   27.751 67.00764 31.06089 
1 1 1   11   22   25 o  270.227   14.922  926.352  100.305  926.352  100.305   0.0000   0.0000  270.227   14.922  ?   ?  0.000000 14.92218 
1 1 1   11   22   26 o  167.869   10.123  355.242   42.237  393.758   51.239  273.588   74.605  176.497   11.692  144.693   21.284 31.80360 24.28346 
1 1 1   11   22   27 o  176.359   9.8862  391.806   43.363  420.303   53.031  334.306   75.329  182.364   11.707  160.831   19.131 21.53268 22.42913 
1 1 1   11   23    0 o  301.875   17.359  1168.55  130.311  1302.77  180.222  1021.50  188.641  315.719   23.018  276.625   27.680 39.09399 35.99966 
1 1 1   11   23    1 o  275.654   23.834  996.319  162.449   0.0000   0.0000  996.319  162.449  ?   ?   275.654   23.834 0.000000 23.83399 
1 1 1   11   23    2 o  188.711   14.567  454.183   68.115  543.304   91.720  344.590  101.710  205.396   18.066  160.289   26.324 45.10713 31.92741 
1 1 1   11   23    3 o  152.746   13.849  297.630   52.250  311.004   68.015  278.371   81.617  155.100   17.889  144.896   23.350 10.20372 29.41489 
1 1 1   11   23    4 o   72.891   16.770   70.256   29.889   68.999   35.447   73.347   55.598   72.157   19.297   76.276   25.154 -4.118629 31.70355 
1 1 1   11   23    5 o  265.980   15.164  899.765  100.301  837.283  136.827  972.336  147.462  254.088   21.775  273.958   21.733 -19.87054 30.76491 
1 1 1   11   23    6 o  135.263   17.835  236.941   58.774  236.941   58.774   0.0000   0.0000  135.263   17.835  ?   ?  0.000000 17.83525 
1 1 1   11   23    7 o  366.178   19.242  1718.03  175.334  1925.39  245.683  1502.80  250.301  383.893   25.778  336.231   30.130 47.66138 39.65253 
1 1 1   11   23    8 o  122.291   13.943  191.338   41.817  212.560   53.754  158.807   66.553  128.217   17.224  108.633   25.046 19.58379 30.39673 
1 1 1   11   23    9 o  106.377   14.361  145.552   37.173  154.341   46.813  130.551   61.159  108.791   17.851   98.544   24.856 10.24706 30.60194 
1 1 1   11   23   10 o  137.237   13.327  239.827   45.097  223.468   58.488  263.812   70.820  131.273   18.343  142.219   20.536 -10.94568 27.53526 
1 1 1   11   23   11 o  279.276   23.320  1011.48  161.145   0.0000   0.0000  1011.48  161.145  ?   ?   279.276   23.320 0.000000 23.31976 
1 1 1   11   23   12 o   90.181   14.941  105.500   32.469   91.134   39.856  133.851   55.989   82.891   19.568  100.105   22.895 -17.21481 30.11787 
1 1 1   11   23   13 o  402.914   20.058  2074.71  201.813  2154.93  283.049  1991.76  287.824  405.306   28.140  388.388   29.906 16.91791 41.06416 
1 1 1   11   23   14 o  351.311   17.688  1572.92  154.675  1481.68  215.477  1669.92  222.164  337.118   25.791  358.457   24.975 -21.33911 35.90204 
1 1 1   11   23   15 o  287.492   13.181  1042.47   94.626  1125.72  114.416  862.281  168.327  297.813   15.438  256.297   26.692 41.51596 30.83472 
1 1 1   11   23   16 o  208.204   19.086  557.116   98.131  557.116   98.131   0.0000   0.0000  208.204   19.086  ?   ?  0.000000 19.08649 
1 1 1   11   23   17 o  273.483   12.649  942.645   86.387  986.777  104.236  845.853  154.370  278.892   15.022  254.743   24.572 24.14841 28.79980 
1 1 1   11   23   18 o   72.646   24.335   64.843   51.979   0.0000   0.0000   64.843   51.979  ?   ?    72.646   24.335 0.000000 24.33451 
1 1 1   11   23   19 o  167.391   10.467  353.474   43.533  355.978   50.765  346.513   84.626  167.678   12.208  163.154   21.278 4.524323 24.53079 
1 1 1   11   23   20 o  216.802   11.494  593.121   62.008  648.661   74.219  464.750  112.836  226.385   13.186  188.147   24.605 38.23817 27.91573 
1 1 1   11   23   21 o  145.458   13.336  269.156   47.901  290.638   62.089  237.570   75.287  150.412   16.818  134.009   23.346 16.40324 28.77288 
1 1 1   11   23   22 o  299.614   13.095  1132.42   97.978  1140.26  118.382  1115.39  174.568  299.528   15.884  292.929   24.078 6.599304 28.84470 
1 1 1   11   23   23 o  427.629   16.573  2321.20  176.977  2276.97  215.569  2412.64  309.961  421.728   20.469  427.849   29.185 -6.120636 35.64799 
1 1 1   11   23   24 o  305.211   13.552  1176.08  103.288  1248.76  125.373  1022.53  182.226  313.408   16.073  279.217   26.450 34.19064 30.95090 
1 1 1   11   23   25 o  165.783   17.104  352.756   69.790  352.756   69.790   0.0000   0.0000  165.783   17.104  ?   ?  0.000000 17.10356 
1 1 1   11   23   26 o  271.669   12.158  929.857   82.479  926.153  100.322  937.581  144.880  270.118   14.931  269.364   21.723 0.7544556 26.35969 
1 1 1   11   23   27 o  204.131   10.376  525.075   52.720  515.699   64.324  544.263   92.016  201.809   12.830  205.968   18.073 -4.159653 22.16406 
1 1 1   11   24    0 o  360.556   19.864  1683.14  178.163  2010.56  248.643  1337.65  255.415  389.590   25.702  311.387   33.367 78.20367 42.11790 
1 1 1   11   24    1 o  148.142   14.634  281.488   53.429  346.120   69.292  186.709   83.910  163.641   17.215  116.083   29.024 47.55740 33.74494 
1 1 1   11   24    2 o   82.495   26.264   89.128   60.923   0.0000   0.0000   89.128   60.923  ?   ?    82.495   26.264 0.000000 26.26407 
1 1 1   11   24    3 o  212.634   14.437  576.315   76.204  581.728  102.222  569.543  114.329  211.863   19.542  208.478   22.307 3.384872 29.65582 
1 1 1   11   24    4 o  175.014   13.936  390.473   60.402  396.673   79.037  381.767   93.655  175.115   18.346  170.259   22.585 4.856644 29.09787 
1 1 1   11   24    5 o   95.370   15.759  118.545   36.221  161.371   44.967   39.418   61.122  111.387   16.679   66.386   25.765 45.00115 30.69284 
1 1 1   11   24    6 o   99.667   14.709  128.543   35.509  127.026   43.333  131.643   61.955   98.186   18.348   98.598   25.098 -0.4116974 31.08963 
1 1 1   11   24    7 o  127.867   17.694  212.326   54.986  212.326   54.986   0.0000   0.0000  127.867   17.694  ?   ?  0.000000 17.69448 
1 1 1   11   24    8 f  144.044   13.640  264.650   48.478  278.619   62.710  243.905   76.420  146.879   17.438  135.488   23.435 11.39021 29.21105 
1 1 1   11   24    9 o   76.410   16.343   76.950   30.241   95.426   36.503   36.524   53.995   85.002   17.769   63.217   24.305 21.78490 30.10733 
1 1 1   11   24   10 o   66.940   16.924   59.199   28.306   78.254   33.726   13.790   52.063   76.856   17.905   55.772   23.030 21.08343 29.17187 
1 1 1   11   24   11 o   96.765   14.491  121.025   33.939  119.293   41.605  124.471   58.678   95.222   18.159   96.164   24.396 -0.9419632 30.41290 
1 1 1   11   24   12 f  195.457   21.322  496.319  102.384   0.0000   0.0000  496.319  102.384  ?   ?   195.457   21.322 0.000000 21.32219 
1 1 1   11   24   13 o  160.726   14.174  329.142   56.306  408.264   74.635  224.622   85.781  178.425   16.955  128.814   27.504 49.61053 32.30967 
1 1 1   11   24   14 o  196.407   13.840  489.860   67.446  501.475   90.466  475.324  101.201  197.434   18.567  191.192   21.574 6.242188 28.46339 
1 1 1   11   24   15 o  165.507   13.617  348.296   55.780  378.629   73.717  307.663   85.319  171.658   17.439  152.885   23.065 18.77321 28.91576 
1 1 1   11   24   16 f  312.029   12.926  1228.51  100.718  1130.41  121.071  1448.95  181.494  297.961   16.334  335.005   21.814 -37.04391 27.25156 
1 1 1   11   24   17 o   69.453   18.169   63.721   31.874   63.721   31.874   0.0000   0.0000   69.453   18.169  ?   ?  0.000000 18.16942 
1 1 1   11   24   18 o   61.633   12.718   49.643   18.925   61.626   20.325 -28.4262   51.879   68.925   12.258   45.906   20.838 23.01918 24.17653 
1 1 1   11   24   19 o  184.104   10.227  427.280   46.831  383.790   54.132  556.675   93.372  174.023   12.541  208.260   18.135 -34.23763 22.04867 
1 1 1   11   24   20 o  225.381   11.462  641.112   64.298  660.107   76.538  595.556  118.530  228.238   13.489  213.933   22.526 14.30484 26.25540 
1 1 1   11   24   21 o  187.557   14.305  447.386   66.493  526.256   89.245  348.974   99.690  202.539   17.827  162.183   25.453 40.35602 31.07452 
1 1 1   11   24   22 o  369.892   15.204  1733.29  140.437  1794.66  170.593  1604.24  247.376  375.212   18.207  348.503   28.680 26.70862 33.97061 
1 1 1   11   24   23 o  194.910   10.334  478.856   50.120  501.712   58.909  418.941   95.378  199.219   11.896  179.323   21.744 19.89638 24.78511 
1 1 1   11   24   24 o  388.990   16.079  1920.17  156.184  2065.02  190.275  1621.01  273.447  402.140   18.948  348.184   31.800 53.95566 37.01723 
1 1 1   11   24   25 o  152.305   16.483  297.875   61.690  297.875   61.690   0.0000   0.0000  152.305   16.483  ?   ?  0.000000 16.48286 
1 1 1   11   24   26 o  162.776   11.499  335.246   46.440  413.797   55.366  148.803   85.298  180.760   12.339  104.815   30.650 75.94540 33.04062 
1 1 1   11   24   27 o  113.836   9.3769  163.805   26.418  167.124   31.387  155.741   48.928  114.715   11.095  109.036   18.639 5.678268 21.69151 
1 1 1   11   25    0 o   93.802   16.897  115.975   38.125  160.167   45.656   14.176   69.294  110.572   17.086   62.406   26.228 48.16661 31.30221 
1 1 1   11   25    1 o  234.333   16.027  704.697   93.221  850.135  126.296  530.618  138.172  255.654   19.940  197.172   28.922 58.48166 35.12989 
1 1 1   11   25    2 o  150.925   13.976  291.657   52.074  285.793   66.003  301.327   84.752  148.115   18.230  150.253   23.346 -2.138336 29.61982 
1 1 1   11   25    3 o  118.113   14.722  180.007   42.481  186.321   52.779  168.390   71.586  119.189   18.319  110.823   26.268 8.366936 32.02488 
1 1 1   11   25    4 o  138.980   14.569  247.982   49.811  276.937   64.076  203.757   79.187  145.967   17.957  122.032   26.725 23.93478 32.19810 
1 1 1   11   25    5 o   51.691   17.551   31.905   27.044   71.389   31.027 -92.9158   55.167   73.308   17.238   37.839   18.396 35.46966 25.21091 
1 1 1   11   25    6 o  113.506   14.764  166.237   40.856  199.999   51.015  105.852   68.227  124.101   16.901   89.155   27.714 34.94588 32.46074 
1 1 1   11   25    7 o  202.624   14.680  523.778   73.778  588.976   98.918  442.038  110.758  213.548   18.739  182.357   24.979 31.19038 31.22617 
1 1 1   11   25    8 o  133.142   17.605  230.160   57.098  230.160   57.098   0.0000   0.0000  133.142   17.605  ?   ?  0.000000 17.60524 
1 1 1   11   25    9 o   65.308   16.902   56.401   27.778   67.849   32.487   25.276   53.568   71.488   18.162   59.538   23.807 11.94981 29.94353 
1 1 1   11   25   10 o  308.888   17.654  1222.07  135.609  1405.06  188.292  1024.85  195.470  328.405   23.107  277.104   28.662 51.30038 36.81662 
1 1 1   11   25   11 o   99.911   14.504  129.022   35.129  132.681   42.790  121.458   61.522  100.578   17.682   94.797   25.453 5.781685 30.99192 
1 1 1   11   25   12 o  150.279   13.684  287.972   50.789  309.754   65.794  255.855   79.893  154.977   17.296  138.620   23.946 16.35698 29.53876 
1 1 1   11   25   13 o   76.764   25.381   74.241   56.593   0.0000   0.0000   74.241   56.593  ?   ?    76.764   25.381 0.000000 25.38117 
1 1 1   11   25   14 o  155.490   13.391  307.785   51.487  308.097   66.338  307.312   81.650  154.535   17.499  152.942   22.013 1.592026 28.12066 
1 1 1   11   25   15 o  213.739   13.908  580.311   73.831  554.956   98.677  612.558  111.283  207.377   19.275  217.412   20.749 -10.03499 28.32076 
1 1 1   11   25   16 o  348.168   18.497  1552.80  160.240  1649.31  222.957  1449.70  230.457  355.008   25.316  330.937   28.154 24.07071 37.86190 
1 1 1   11   25   17 o  204.120   11.348  526.331   57.616  550.499   67.925  464.346  108.782  208.368   13.121  188.003   23.697 20.36490 27.08744 
1 1 1   11   25   18 o  259.179   21.005  868.717  134.782  868.717  134.782   0.0000   0.0000  259.179   21.005  ?   ?  0.000000 21.00544 
1 1 1   11   25   19 o  132.050   9.5498  220.172   31.278  178.107   34.808  396.615   71.288  118.285   11.948  175.921   16.417 -57.63637 20.30454 
1 1 1   11   25   20 o  274.934   11.897  952.725   81.680  868.183   97.172  1156.29  150.783  261.337   14.952  299.597   20.273 -38.25949 25.19069 
1 1 1   11   25   21 o  176.599   10.257  393.421   45.039  382.292   52.238  425.656   88.903  173.722   12.117  181.238   19.975 -7.515640 23.36324 
1 1 1   11   25   22 o  282.983   16.454  1021.07  115.773  1116.53  159.821  915.669  167.936  293.635   21.955  263.945   25.809 29.68988 33.88402 
1 1 1   11   25   23 o  173.075   10.702  378.259   46.026  409.091   53.507  290.537   90.252  179.766   11.988  147.587   25.405 32.17976 28.09121 
1 1 1   11   25   24 o  230.544   10.799  668.770   62.172  600.445   73.350  843.098  117.164  217.561   13.569  256.365   18.424 -38.80330 22.88159 
1 1 1   11   25   25 o  250.830   10.917  791.807   68.384  699.715   81.479  1011.25  125.774  234.808   13.959  281.022   18.017 -46.21417 22.79193 
1 1 1   11   25   26 o  124.918   9.7658  197.259   30.221  214.388   34.790  144.584   61.008  130.087   10.807  103.654   24.037 26.43343 26.35452 
1 1 1   11   25   27 f  219.042   9.1329  602.475   49.956  619.881   68.780  583.041   72.677  221.297   12.497  214.316   13.651 6.980881 18.50755 
1 1 1   11   26    0 f   37.346   15.635   3.7314   24.471   3.7314   24.471   0.0000   0.0000   37.346   15.635  ?   ?  0.000000 15.63494 
1 1 1   11   26    1 o  111.443   15.070  161.197   40.863  161.025   48.834  161.598   74.629  110.418   18.355  107.789   27.605 2.628746 33.15008 
1 1 1   11   26    2 o  162.834   15.387  341.343   61.825  447.580   79.864  182.468   97.666  185.915   17.405  113.485   32.686 72.43073 37.03100 
1 1 1   11   26    3 o  151.854   15.229  296.870   56.970  394.653   73.307  147.757   90.526  174.684   17.021  103.250   31.895 71.43326 36.15248 
1 1 1   11   26    4 o  225.198   15.772  650.445   88.137  795.424  119.399  476.860  130.648  247.487   19.477  186.763   28.950 60.72433 34.89210 
1 1 1   11   26    5 o  132.048   24.685  235.713   78.407   0.0000   0.0000  235.713   78.407  ?   ?   132.048   24.685 0.000000 24.68543 
1 1 1   11   26    6 o  155.757   14.767  311.208   56.751  391.998   73.570  192.497   89.180  174.218   17.132  117.441   30.230 56.77637 34.74707 
1 1 1   11   26    7 o  318.589   18.553  1308.11  146.962  1585.23  203.950  1008.81  211.953  347.523   23.642  271.480   31.871 76.04333 39.68224 
1 1 1   11   26    8 o  159.786   14.568  326.894   57.491  404.248   75.086  217.290   89.379  177.014   17.204  125.345   29.112 51.66916 33.81541 
1 1 1   11   26    9 o   45.129   16.827   20.095   25.428   20.095   25.428   0.0000   0.0000   45.129   16.827  ?   ?  0.000000 16.82712 
1 1 1   11   26   10 o  153.725   14.558  302.540   55.219  375.736   71.524  194.542   86.880  170.745   17.001  118.597   29.466 52.14774 34.01876 
1 1 1   11   26   11 o  176.957   14.627  400.048   64.058  491.019   84.890  279.746   97.620  195.235   17.601  143.155   28.311 52.08000 33.33602 
1 1 1   11   26   12 o  120.944   13.831  187.605   41.022  192.547   50.954  178.503   69.158  121.683   17.252  114.876   24.832 6.807076 30.23676 
1 1 1   11   26   13 o  286.372   16.899  1049.38  120.315  1180.76  165.834  903.366  174.823  301.246   22.201  260.601   27.268 40.64548 35.16280 
1 1 1   11   26   14 o  102.438   25.701  142.589   65.634   0.0000   0.0000  142.589   65.634  ?   ?   102.438   25.701 0.000000 25.70061 
1 1 1   11   26   15 o  366.241   19.519  1726.17  177.869  1890.69  247.669  1550.94  255.609  378.799   26.347  339.962   30.431 38.83661 40.25135 
1 1 1   11   26   16 o  138.249   23.484  254.232   78.174   0.0000   0.0000  254.232   78.174  ?   ?   138.249   23.484 0.000000 23.48378 
1 1 1   11   26   17 o  202.195   18.694  527.420   93.320  527.420   93.320   0.0000   0.0000  202.195   18.694  ?   ?  0.000000 18.69367 
1 1 1   11   26   18 o  216.055   11.560  590.042   62.141  615.022   73.114  525.048  117.935  220.147   13.363  199.678   24.142 20.46953 27.59335 
1 1 1   11   26   19 o  265.329   12.038  888.058   79.763  833.128   94.347  1025.69  149.342  255.912   14.827  281.328   21.419 -25.41628 26.04991 
1 1 1   11   26   20 o  201.468   10.651  512.244   53.397  492.117   62.209  568.579  104.076  197.013   12.713  209.537   20.138 -12.52449 23.81511 
1 1 1   11   26   21 o  331.749   13.689  1392.23  113.407  1351.19  136.297  1484.58  204.447  325.335   16.834  337.046   24.457 -11.71036 29.69099 
1 1 1   11   26   22 o  220.154   10.847  610.150   59.631  601.763   69.977  632.390  113.952  217.896   12.918  220.800   20.916 -2.904480 24.58371 
1 1 1   11   26   23 o  120.903   14.272  187.560   42.258  221.340   52.223  123.490   71.922  130.976   16.321   95.777   28.184 35.19869 32.56847 
1 1 1   11   26   24 o  208.030   11.761  547.272   60.847  576.309   71.678  472.378  115.115  213.062   13.542  188.991   25.006 24.07109 28.43737 
1 1 1   11   26   25 o   80.370   10.396   82.587   20.377   89.132   21.686   33.264   59.537   83.499   10.642   64.152   25.274 19.34738 27.42288 
1 1 1   11   26   26 f  139.909   14.187  250.339   48.882  302.238   61.281  159.557   81.049  153.336   16.252  107.930   29.313 45.40627 33.51704 
1 1 1   11   26   27 o  370.862   13.287  1739.21  123.054  1946.67  173.138  1527.45  174.926  390.428   17.758  344.045   20.453 46.38257 27.08625 
1 1 1   11   27    0 o  176.795   15.888  404.220   69.397  527.658   89.642  219.581  109.634  201.227   18.030  122.572   34.409 78.65520 38.84649 
1 1 1   11   27    1 o   94.849   18.882  120.346   43.151  120.346   43.151   0.0000   0.0000   94.849   18.882  ?   ?  0.000000 18.88217 
1 1 1   11   27    2 o  181.855   15.615  426.269   70.222  549.538   91.757  252.005  109.098  205.619   18.053  132.303   33.103 73.31683 37.70532 
1 1 1   11   27    3 o  113.223   15.431  166.684   42.494  200.394   51.420   94.070   75.469  123.816   17.086   85.373   29.316 38.44399 33.93124 
1 1 1   11   27    4 f   66.125   17.395   58.234   29.110   46.074   32.555  106.750   65.026   60.104   19.206   88.676   26.967 -28.57211 33.10678 
1 1 1   11   27    5 o  105.582   15.638  145.277   39.985  177.891   48.038   71.717   72.144  116.649   16.990   78.252   28.487 38.39764 33.16858 
1 1 1   11   27    6 o  119.124   26.171  194.857   75.725   0.0000   0.0000  194.857   75.725  ?   ?   119.124   26.171 0.000000 26.17098 
1 1 1   11   27    7 o   63.090   17.552   52.622   28.662   67.983   32.546  -0.4723   60.506   71.373   18.203   55.602   23.971 15.77109 30.09930 
1 1 1   11   27    8 o  179.893   15.072  414.933   67.083  518.055   88.193  273.357  103.337  200.155   17.832  140.008   30.426 60.14670 35.26582 
1 1 1   11   27    9 o  229.250   15.567  672.935   88.587  768.161  119.242  555.636  132.342  243.189   19.807  203.319   26.712 39.86989 33.25447 
1 1 1   11   27   10 o  341.985   25.612  1549.13  217.141  1549.13  217.141   0.0000   0.0000  341.985   25.612  ?   ?  0.000000 25.61238 
1 1 1   11   27   11 o  220.885   14.961  623.296   82.037  658.227  108.784  577.235  124.917  225.263   19.532  208.650   24.438 16.61345 31.28406 
1 1 1   11   27   12 o   96.890   15.212  122.149   35.592  143.377   42.360   71.175   65.640  104.739   16.761   77.113   27.282 27.62611 32.01905 
1 1 1   11   27   13 o  219.820   14.863  616.771   81.111  662.946  108.527  558.343  122.081  226.246   19.397  205.404   24.270 20.84209 31.06835 
1 1 1   11   27   14 o  105.004   13.980  142.147   35.746  129.815   42.345  172.723   66.677   99.341   17.719  113.002   24.347 -13.66071 30.11238 
1 1 1   11   27   15 o  143.520   23.797  274.747   82.300   0.0000   0.0000  274.747   82.300  ?   ?   143.520   23.797 0.000000 23.79709 
1 1 1   11   27   16 o  159.562   14.215  325.307   56.048  355.746   70.580  273.347   92.215  166.048   17.274  141.980   26.996 24.06822 32.04956 
1 1 1   11   27   17 o  198.250   15.356  502.433   75.428  614.920   99.790  352.514  115.204  218.361   18.474  160.516   29.839 57.84476 35.09493 
1 1 1   11   27   18 o   72.750   16.048   69.916   28.372   87.663   32.033   5.3090   61.119   81.597   16.291   57.438   24.411 24.15910 29.34773 
1 1 1   11   27   19 o  144.023   14.326  265.457   50.840  313.419   63.611  180.644   84.589  156.004   16.583  114.479   29.428 41.52553 33.77814 
1 1 1   11   27   20 o  100.432   10.087  128.144   24.957  111.074   26.814  238.750   68.254   93.116   11.796  134.643   20.984 -41.52605 24.07215 
1 1 1   11   27   21 o  247.606   11.955  773.645   73.919  807.015   87.513  690.562  138.087  252.039   13.959  228.970   24.532 23.06961 28.22565 
1 1 1   11   27   22 o   84.253   10.348   90.646   21.314   92.924   22.551   71.560   65.272   85.230   10.841   77.378   27.223 7.852798 29.30246 
1 1 1   11   27   23 f   83.928   15.303   92.134   30.891   89.506   35.189  100.966   64.507   82.216   17.666   87.292   26.917 -5.075798 32.19637 
1 1 1   11   27   24 o  224.990   10.536  637.281   59.194  606.918   68.886  722.991  115.738  218.814   12.661  236.449   19.783 -17.63544 23.48768 
1 1 1   11   27   25 o  115.530   9.2377  168.772   26.428  181.350   30.802  133.686   51.446  119.587   10.419  100.021   21.253 19.56615 23.66926 
1 1 1   11   27   26 o  190.492   8.7494  455.716   41.620  464.854   54.087  442.449   65.170  191.689   11.350  186.329   14.111 5.359024 18.10887 
1 1 1   11   27   27 o  106.186   8.4781  142.455   22.294  154.989   27.531  118.583   37.995  110.532   10.085   95.150   16.594 15.38162 19.41855 
1 1 1   11   27   28 o   85.086   10.042   92.351   20.925  100.259   33.034   87.051   27.042   87.501   15.695   81.827   13.719 5.673294 20.84594 
1 1 1   11   28    0 o  112.677   16.311  166.797   44.560  199.317   52.326   80.978   85.003  122.915   17.545   82.305   30.751 40.60927 35.40425 
1 1 1   11   28    1 o  201.332   16.028  524.654   79.917  639.978  104.138  359.437  124.645  220.924   19.063  157.706   32.722 63.21864 37.87019 
1 1 1   11   28    2 o  107.970   16.285  153.007   42.543  169.426   48.781  100.845   86.946  113.207   17.847   88.347   31.383 24.86034 36.10294 
1 1 1   11   28    3 o  171.385   14.613  377.958   61.945  380.709   76.920  372.881  104.488  170.585   18.345  165.051   26.229 5.534866 32.00777 
1 1 1   11   28    4 o  131.684   14.441  223.815   46.709  212.379   55.842  250.454   85.229  127.065   18.111  134.823   26.259 -7.758690 31.89911 
1 1 1   11   28    5 o  128.989   14.857  215.109   46.983  239.176   57.077  164.536   82.739  135.323   17.285  108.057   29.730 27.26606 34.38966 
1 1 1   11   28    6 o  165.335   14.853  351.534   60.669  408.232   77.357  260.930   97.788  177.227   17.716  136.455   29.553 40.77267 34.45642 
1 1 1   11   28    7 o   65.061   25.737   35.581   61.979   0.0000   0.0000   35.581   61.979  ?   ?    65.061   25.737 0.000000 25.73750 
1 1 1   11   28    8 o  163.620   15.357  344.626   62.012  458.604   80.357  176.807   97.506  188.239   17.288  111.784   32.794 76.45547 37.07159 
1 1 1   11   28    9 o  265.395   17.369  907.875  114.474  1130.61  156.194  649.402  168.260  293.960   21.425  216.141   32.153 77.81984 38.63773 
1 1 1   11   28   10 o   77.068   16.483   78.758   30.762   77.899   34.796   81.834   65.822   76.325   18.458   80.345   27.381 -4.020149 33.02196 
1 1 1   11   28   11 o  417.139   23.034  2282.29  239.005  2894.71  334.462  1643.22  341.663  463.500   29.043  336.175   41.586 127.3252 50.72367 
1 1 1   11   28   12 o  223.959   19.754  652.312  109.348  652.312  109.348   0.0000   0.0000  223.959   19.754  ?   ?  0.000000 19.75447 
1 1 1   11   28   13 o   99.044   14.381  127.125   34.530  114.444   39.938  164.666   68.719   93.010   17.844  109.743   25.553 -16.73269 31.16665 
1 1 1   11   28   14 o  137.645   24.798  255.385   82.103   0.0000   0.0000  255.385   82.103  ?   ?   137.645   24.798 0.000000 24.79844 
1 1 1   11   28   15 o  224.584   15.701  645.760   87.504  751.940  116.913  510.520  131.945  240.815   19.612  194.309   28.001 46.50537 34.18599 
1 1 1   11   28   16 o  207.426   23.405  567.680  119.113   0.0000   0.0000  567.680  119.113  ?   ?   207.426   23.405 0.000000 23.40473 
1 1 1   11   28   17 o   98.256   14.332  125.002   34.129  117.904   39.093  147.750   69.988   94.671   17.168  103.837   26.807 -9.166145 31.83333 
1 1 1   11   28   18 o  183.748   14.250  430.954   64.875  455.449   83.135  392.810  103.744  187.759   17.950  171.579   24.943 16.17963 30.73048 
1 1 1   11   28   19 o  213.885   14.847  583.968   78.809  627.722  103.783  524.374  121.121  220.269   19.055  198.690   24.962 21.57950 31.40434 
1 1 1   11   28   20 o  213.869   18.984  591.760  100.336  591.760  100.336   0.0000   0.0000  213.869   18.984  ?   ?  0.000000 18.98436 
1 1 1   11   28   21 o  251.649   11.662  799.274   73.283  773.129   86.132  867.828  139.470  246.522   14.049  257.950   21.857 -11.42822 25.98324 
1 1 1   11   28   22 o  104.564   10.033  138.844   25.876  127.916   27.759  211.285   71.470  100.091   11.304  125.491   23.674 -25.39994 26.23469 
1 1 1   11   28   23 o  130.977   9.2772  216.727   30.147  198.484   34.683  273.114   60.974  124.964   11.234  145.271   17.138 -20.30674 20.49195 
1 1 1   11   28   24 o  204.641   14.920  534.880   75.719  598.287   99.859  449.108  116.142  215.130   18.776  183.178   26.131 31.95183 32.17724 
1 1 1   11   28   25 o  223.227   9.5747  626.789   53.373  618.206   69.607  639.035   83.147  220.732   12.681  223.740   14.968 -3.007156 19.61778 
1 1 1   11   28   26 o  109.686   8.6495  152.064   23.499  148.845   27.269  161.350   46.322  108.253   10.208  111.115   17.253 -2.862068 20.04705 
1 1 1   11   28   27 o   85.983   11.964   95.144   24.992   83.155   30.052  122.029   45.002   79.469   15.701   95.731   19.487 -16.26186 25.02525 
1 1 1   11   28   28 o  142.324   8.3239  255.299   29.455  239.723   39.501  274.807   44.206  137.280   11.632  146.928   12.158 -9.647903 16.82596 
1 1 1   11   29    0 o   60.258   26.230   1.0923   73.854   0.0000   0.0000   1.0923   73.854  ?   ?    60.258   26.230 0.000000 26.22960 
1 1 1   11   29    1 o  105.333   17.050  147.189   43.316  190.980   50.179   19.136   85.807  120.219   17.205   67.988   28.910 52.23117 33.64221 
1 1 1   11   29    2 o  152.706   16.179  303.998   60.755  405.474   75.682  120.084  101.888  176.014   17.448   94.482   33.929 81.53226 38.15299 
1 1 1   11   29    3 o  253.573   18.507  840.761  116.380  1176.34  157.285  434.721  173.011  298.061   21.271  166.641   41.682 131.4203 46.79564 
1 1 1   11   29    4 o  213.946   19.751  602.434  104.333  602.434  104.333   0.0000   0.0000  213.946   19.751  ?   ?  0.000000 19.75140 
1 1 1   11   29    5 o  129.360   16.011  218.058   50.618  290.247   61.579   67.657   88.884  149.200   16.821   80.098   31.075 69.10225 35.33575 
1 1 1   11   29    6 f  176.781   15.516  403.484   67.801  502.957   87.284  252.141  107.662  196.452   17.992  132.014   32.803 64.43817 37.41301 
1 1 1   11   29    7 o  128.368   15.648  214.042   49.123  276.733   59.905   85.360   85.827  145.806   16.757   84.248   31.010 61.55803 35.24784 
1 1 1   11   29    8 o  102.938   28.809  148.439   76.976   0.0000   0.0000  148.439   76.976  ?   ?   102.938   28.809 0.000000 28.80887 
1 1 1   11   29    9 o  181.428   15.844  424.500   71.062  571.417   93.073  219.148  110.037  209.802   17.937  123.056   34.446 86.74606 38.83689 
1 1 1   11   29   10 o  255.473   17.598  843.753  111.584  1099.25  151.565  541.396  164.880  289.661   21.099  194.466   35.251 95.19478 41.08241 
1 1 1   11   29   11 o  148.639   14.302  283.803   52.432  296.754   64.559  258.708   89.866  151.023   17.439  137.062   27.216 13.96167 32.32375 
1 1 1   11   29   12 o  237.129   17.138  725.264  100.802  946.598  135.656  452.371  150.629  269.388   20.315  177.835   35.165 91.55345 40.61117 
1 1 1   11   29   13 o  349.267   26.140  1628.19  226.336  1628.19  226.336   0.0000   0.0000  349.267   26.140  ?   ?  0.000000 26.14011 
1 1 1   11   29   14 o  158.904   15.024  324.519   58.910  392.568   74.367  209.885   96.522  174.126   17.333  121.934   31.482 52.19189 35.93842 
1 1 1   11   29   15 o   22.069   10.326 -14.0395   14.194 -15.7783   14.535   21.708   65.905   21.906   10.313   62.976   25.948 -41.06945 27.92258 
1 1 1   11   29   16 o   33.737   13.677   6.1582   17.947   9.3032   18.783 -26.8131   60.816   35.909   14.180   50.406   22.752 -14.49709 26.80897 
1 1 1   11   29   17 o  183.244   23.767  446.338  106.197   0.0000   0.0000  446.338  106.197  ?   ?   183.244   23.767 0.000000 23.76748 
1 1 1   11   29   18 o   83.254   15.027   90.810   30.092   87.661   33.443  104.205   68.971   81.325   17.014   88.380   27.925 -7.054604 32.69971 
1 1 1   11   29   19 o  130.493   13.921  218.516   44.664  224.491   53.108  204.077   82.555  131.576   16.528  121.645   27.786 9.931068 32.32996 
1 1 1   11   29   20 o  198.969   14.618  505.993   72.125  538.697   92.973  456.565  114.299  203.967   18.453  184.679   25.461 19.28822 31.44519 
1 1 1   11   29   21 o  147.449   16.684  281.241   60.351  281.241   60.351   0.0000   0.0000  147.449   16.684  ?   ?  0.000000 16.68401 
1 1 1   11   29   22 o   87.276   9.9455   97.127   21.289   87.751   23.025  152.343   55.878   82.604   11.472  106.550   21.737 -23.94537 24.57864 
1 1 1   11   29   23 f   74.475   10.876   71.386   19.631   74.905   21.130   49.200   53.061   76.206   11.458   66.733   24.410 9.472275 26.96508 
1 1 1   11   29   24 o   72.219   10.329   67.019   18.097   61.440   19.280  108.334   52.467   68.830   11.631   89.418   23.272 -20.58814 26.01667 
1 1 1   11   29   25 o  223.517   15.243  639.357   84.573  686.730  111.509  575.202  129.766  229.896   19.611  207.429   25.595 22.46718 32.24401 
1 1 1   11   29   26 o  126.765   8.7652  202.976   27.576  202.558   32.901  203.965   50.559  126.313   10.526  125.261   16.570 1.052399 19.63103 
1 1 1   11   29   27 o  102.892   9.3665  134.342   23.803  154.524   28.749   90.346   42.446  110.182   10.579   81.886   20.736 28.29542 23.27852 
1 1 1   11   29   28 o  328.449   13.987  1372.67  114.723  1415.83  195.598  1350.04  141.645  326.842   24.136  323.536   17.598 3.305542 29.87007 
1 1 1   11   29   29 o  112.157   21.103  168.929   56.936   0.0000   0.0000  168.929   56.936  ?   ?   112.157   21.103 0.000000 21.10307 
1 1 1   11   30    0 o  110.232   17.024  162.410   45.353  206.322   52.566   34.534   89.703  124.323   17.409   71.004   29.842 53.31908 34.54861 
1 1 1   11   30    1 f   89.633   31.051  112.887   84.757   0.0000   0.0000  112.887   84.757  ?   ?    89.633   31.051 0.000000 31.05083 
1 1 1   11   30    2 o  164.357   15.856  352.884   64.270  435.320   80.408  207.043  106.950  181.602   17.966  116.703   34.376 64.89902 38.78781 
1 1 1   11   30    3 o  204.287   17.497  547.193   88.401  789.453  116.337  216.189  135.986  244.473   19.211  118.008   39.360 126.4649 43.79764 
1 1 1   11   30    4 o  152.539   16.361  304.085   61.351  416.155   76.388  100.423  102.975  178.210   17.386   89.509   33.765 88.70133 37.97836 
1 1 1   11   30    5 o  132.876   17.871  233.110   57.795  233.110   57.795   0.0000   0.0000  132.876   17.871  ?   ?  0.000000 17.87104 
1 1 1   11   30    6 o  393.816   22.549  2064.70  220.829  2531.30  306.931  1563.96  317.959  427.828   28.898  321.527   40.499 106.3015 49.75249 
1 1 1   11   30    7 o  108.342   15.750  153.769   41.363  161.414   47.735  130.734   82.862  110.326   17.943   96.565   30.618 13.76093 35.48838 
1 1 1   11   30    8 o  137.278   15.529  244.722   52.299  302.738   63.862  126.575   91.134  152.281   17.089   95.920   32.221 56.36050 36.47223 
1 1 1   11   30    9 o  156.843   15.026  317.660   58.130  357.529   71.716  241.291   99.257  165.489   17.625  129.806   31.040 35.68297 35.69483 
1 1 1   11   30   10 o   89.304   17.460  106.166   37.541  141.367   43.477   2.9974   74.430  103.396   17.460   61.573   26.566 41.82385 31.78983 
1 1 1   11   30   11 o  169.688   15.282  371.314   64.063  439.301   80.836  256.508  105.045  183.666   17.850  133.825   31.887 49.84065 36.54302 
1 1 1   11   30   12 o  150.274   15.242  291.591   56.407  347.825   69.436  182.469   96.726  163.533   17.264  112.963   32.526 50.56939 36.82398 
1 1 1   11   30   13 o   32.583   13.781   1.3335   19.325   6.6913   20.214 -55.5850   65.885   35.604   14.485   47.884   22.352 -12.27972 26.63541 
1 1 1   11   30   14 o  142.142   17.181  263.207   59.748  263.207   59.748   0.0000   0.0000  142.142   17.181  ?   ?  0.000000 17.18114 
1 1 1   11   30   15 o  106.621   14.957  147.720   38.728  159.056   44.495  112.294   78.657  110.212   16.689   91.427   29.908 18.78549 34.24938 
1 1 1   11   30   16 o  138.343   14.488  246.371   49.310  270.450   59.490  193.507   88.145  144.288   16.826  117.247   29.986 27.04111 34.38480 
1 1 1   11   30   17 o  123.016   14.572  195.344   43.894  213.548   51.747  148.649   82.879  128.110   16.563  103.249   30.218 24.86163 34.45965 
1 1 1   11   30   18 o   75.998   28.129   65.086   70.798   0.0000   0.0000   65.086   70.798  ?   ?    75.998   28.129 0.000000 28.12913 
1 1 1   11   30   19 o  102.415   14.561  136.089   36.190  137.555   41.120  131.054   76.227  102.408   16.651   97.533   29.094 4.875633 33.52209 
1 1 1   11   30   20 o  154.321   13.581  304.740   51.804  366.963   70.266  230.648   76.676  168.387   16.940  130.475   24.431 37.91174 29.72965 
1 1 1   11   30   21 o   80.582   14.957   85.280   28.990  100.121   33.274   38.517   59.065   87.254   15.855   65.028   25.303 22.22543 29.86006 
1 1 1   11   30   22 o   34.781   12.970   11.744   15.107   12.063   15.358   2.2194   83.875   35.141   13.083   65.241   28.175 -30.09946 31.06372 
1 1 1   11   30   23 o   98.935   10.111  124.649   24.629  125.892   27.158  118.892   58.447   99.224   11.154   93.229   24.707 5.994896 27.10835 
1 1 1   11   30   24 o   99.994   9.5271  127.051   23.502  128.299   26.074  121.642   54.267  100.290   10.570   94.489   23.175 5.801239 25.47179 
1 1 1   11   30   25 o   43.656   12.339   24.795   14.048   29.476   14.730 -22.2764   46.709   47.363   12.333   43.987   19.889 3.375603 23.40230 
1 1 1   11   30   26 o   54.109   11.299   38.377   14.774   35.351   15.745   60.660   42.722   51.791   12.348   68.513   22.013 -16.72216 25.23983 
1 1 1   11   30   27 o  146.439   9.1878  271.179   33.428  285.752   42.369  247.149   54.406  149.835   11.409  137.956   16.095 11.87840 19.72890 
1 1 1   11   30   28 o  337.730   14.691  1458.41  123.900  1760.93  210.613  1298.30  153.217  364.098   23.286  315.285   19.557 48.81326 30.40914 
1 1 1   11   30   29 f   96.161   8.6391  117.391   20.524  122.188   26.373  110.023   32.681   97.634   11.009   91.621   14.788 6.012611 18.43575 
1 1 1   11   31    0 o   91.768   17.559  115.268   38.772  134.172   43.128   35.605   88.532   98.917   18.128   69.495   29.450 29.42192 34.58181 
1 1 1   11   31    1 o   85.842   18.549  101.530   38.602  141.820   43.023 -64.8358   87.424  102.332   17.463   53.952   25.365 48.38003 30.79492 
1 1 1   11   31    2 o   65.409   27.837   22.012   79.677   0.0000   0.0000   22.012   79.677  ?   ?    65.409   27.837 0.000000 27.83656 
1 1 1   11   31    3 o  131.058   16.656  227.645   53.279  304.487   63.726   49.202   97.111  151.585   17.136   75.763   31.383 75.82204 35.75655 
1 1 1   11   31    4 o  165.967   17.113  363.300   69.906  531.589   88.600   85.744  113.784  200.584   17.876   86.674   34.683 113.9095 39.01817 
1 1 1   11   31    5 o   60.059   17.931   48.030   28.945   54.993   31.222   5.4640   77.199   63.924   18.501   62.117   26.927 1.806736 32.67068 
1 1 1   11   31    6 o  267.513   22.284  962.640  147.512  962.640  147.512   0.0000   0.0000  267.513   22.284  ?   ?  0.000000 22.28446 
1 1 1   11   31    7 o  153.324   15.981  306.764   60.287  383.993   73.822  152.129  104.460  170.996   17.536  102.471   34.496 68.52433 38.69769 
1 1 1   11   31    8 o  156.231   16.007  318.035   61.568  410.717   76.366  145.923  104.066  177.048   17.502  101.123   34.429 75.92522 38.62229 
1 1 1   11   31    9 f  170.604   15.831  377.947   66.676  468.017   83.746  222.007  110.193  188.996   17.960  122.109   34.573 66.88696 38.95985 
1 1 1   11   31   10 o   70.616   17.670   67.117   31.084   83.564   34.116 -13.2720   75.423   78.820   17.759   58.569   25.961 20.25062 31.45371 
1 1 1   11   31   11 o  160.200   26.630  354.569  102.794   0.0000   0.0000  354.569  102.794  ?   ?   160.200   26.630 0.000000 26.63044 
1 1 1   11   31   12 o   43.644   16.259   19.200   23.729   21.204   25.239   3.9362   69.650   45.345   16.793   59.808   25.752 -14.46268 30.74315 
1 1 1   11   31   13 o  107.020   17.303  151.255   44.663  151.255   44.663   0.0000   0.0000  107.020   17.303  ?   ?  0.000000 17.30259 
1 1 1   11   31   14 o   78.405   16.348   81.803   30.971   85.144   33.929   65.111   75.843   79.755   17.515   76.648   28.962 3.106857 33.84623 
1 1 1   11   31   15 o   85.374   17.388   97.180   35.811   97.180   35.811   0.0000   0.0000   85.374   17.388  ?   ?  0.000000 17.38801 
1 1 1   11   31   16 o  114.090   14.427  168.638   40.184  160.649   45.661  196.075   84.617  110.517   17.097  117.889   28.954 -7.371666 33.62464 
1 1 1   11   31   17 o  349.840   21.625  1610.03  187.995  2125.11  260.167  1047.20  271.956  397.291   26.374  263.303   42.833 133.9875 50.30178 
1 1 1   11   31   18 o  134.817   13.683  233.678   45.426  252.431   56.870  200.626   75.503  139.236   16.689  120.558   25.855 18.67736 30.77319 
1 1 1   11   31   19 o  108.321   29.733  165.581   82.870   0.0000   0.0000  165.581   82.870  ?   ?   108.321   29.733 0.000000 29.73320 
1 1 1   11   31   20 o   72.560   15.113   69.689   26.495   70.951   29.356   64.148   61.522   72.961   16.499   73.379   26.364 -0.4179459 31.10094 
1 1 1   11   31   21 o   42.525   14.397   21.561   18.196   24.065   19.163  -1.3870   58.019   44.458   14.773   54.073   23.392 -9.615509 27.66632 
1 1 1   11   31   22 f  128.811   12.899  212.824   40.933  216.571   51.479  206.382   67.498  128.939   16.356  123.553   22.714 5.386139 27.98977 
1 1 1   11   31   23 o   78.145   14.540   80.333   27.330   71.049   29.020  153.150   81.272   73.022   16.324  104.250   29.752 -31.22736 33.93662 
1 1 1   11   31   24 o  213.193   10.778  576.168   57.193  655.662   73.890  457.364   90.331  226.662   13.110  186.549   19.688 40.11279 23.65382 
1 1 1   11   31   25 o   37.857   12.072   17.852   12.868   17.777   13.406   18.733   45.878   37.998   12.343   53.847   21.854 -15.84953 25.09899 
1 1 1   11   31   26 o   86.294   10.375   95.450   21.908  106.108   24.996   60.120   45.508   90.850   11.259   68.490   22.766 22.36034 25.39752 
1 1 1   11   31   27 o  241.090   10.238  735.105   61.637  743.428   82.753  724.734   92.374  240.827   13.818  236.879   15.705 3.947571 20.91867 
1 1 1   11   31   28 o  141.789   9.5587  255.106   33.647  315.882   43.714  166.757   52.706  157.402   11.194  111.384   19.668 46.01781 22.63079 
1 1 1   11   31   29 o  165.638   10.038  348.537   41.324  372.760   50.312  298.311   72.447  170.744   11.874  149.450   19.907 21.29376 23.17935 
1 1 1   11   31   30 o   65.278   23.101   52.400   47.068   0.0000   0.0000   52.400   47.068  ?   ?    65.278   23.101 0.000000 23.10135 
1 1 1   11   32    0 o  109.960   17.025  166.070   45.239  203.432   51.740   44.783   93.222  121.567   17.552   70.269   30.012 51.29730 34.76797 
1 1 1   11   32    1 o   74.885   18.570   78.929   34.556  108.638   37.944 -65.5214   83.668   88.468   17.792   51.543   24.409 36.92479 30.20490 
1 1 1   11   32    2 o   96.164   17.937  127.305   41.490  171.175   46.837 -32.5883   89.419  112.202   17.270   58.086   26.738 54.11613 31.83026 
1 1 1   11   32    3 o   73.497   18.340   74.975   33.552   76.269   36.827   68.657   81.385   73.811   19.637   75.346   29.592 -1.535126 35.51460 
1 1 1   11   32    4 o  167.594   16.581  372.874   68.484  482.923   85.464  175.431  114.475  189.755   18.262  104.619   36.095 85.13609 40.45168 
1 1 1   11   32    5 o   98.746   16.706  131.002   39.726  150.458   44.725   58.268   86.476  105.611   17.576   74.861   30.136 30.74946 34.88741 
1 1 1   11   32    6 o  104.429   17.230  146.359   43.365  196.611   49.883  -9.1249   87.745  121.510   16.897   62.480   27.831 59.03035 32.55865 
1 1 1   11   32    7 o  229.430   18.861  699.636  107.102  1018.23  142.128  280.999  162.923  275.252   20.832  128.603   43.082 146.6486 47.85445 
1 1 1   11   32    8 o  152.802   15.769  305.715   59.305  348.813   70.625  202.657  109.210  162.372   17.705  114.856   34.952 47.51524 39.18038 
1 1 1   11   32    9 o  133.359   15.133  232.308   49.503  249.607   58.272  187.452   93.831  137.368   17.376  112.193   31.951 25.17439 36.37034 
1 1 1   11   32   10 o   84.254   16.085   94.697   32.608   84.763   35.650  145.580   80.683   79.002   18.411  100.249   29.939 -21.24763 35.14684 
1 1 1   11   32   11 o  101.429   30.754  149.014   84.664   0.0000   0.0000  149.014   84.664  ?   ?   101.429   30.754 0.000000 30.75388 
1 1 1   11   32   13 o   42.436   15.463   19.314   21.263   17.795   22.221   35.790   73.185   42.107   15.724   67.856   27.579 -25.74969 31.74710 
1 1 1   11   32   14 o   56.722   25.221 -14.8961   71.724   0.0000   0.0000 -14.8961   71.724  ?   ?    56.722   25.221 0.000000 25.22052 
1 1 1   11   32   15 o  190.726   17.850  476.063   84.026  723.054  109.711  125.624  130.682  234.758   18.874   99.079   37.878 135.6790 42.31956 
1 1 1   11   32   16 o  119.616   14.746  185.995   43.113  160.983   45.591  397.454  132.564  110.409   17.088  165.341   33.259 -54.93212 37.39191 
1 1 1   11   32   17 o  201.766   15.538  526.173   77.685  742.499  112.305  327.693  107.574  237.941   19.061  152.225   29.363 85.71611 35.00712 
1 1 1   11   32   18 o  199.066   14.954  510.873   73.793  695.112  107.096  344.338  101.821  230.382   18.779  157.653   26.824 72.72925 32.74411 
1 1 1   11   32   19 o  164.853   14.419  350.316   58.762  452.452   80.694  235.008   85.740  186.173   17.565  129.427   27.383 56.74551 32.53208 
1 1 1   11   32   20 o   66.203   27.826   20.574   77.999   0.0000   0.0000   20.574   77.999  ?   ?    66.203   27.826 0.000000 27.82557 
1 1 1   11   32   21 o   54.250   15.012   38.919   21.025   32.169   22.428   87.869   60.396   50.263   15.929   80.901   26.192 -30.63829 30.65517 
1 1 1   11   32   22 o   80.718   15.175   86.179   29.465  101.496   33.721   36.732   60.588   87.529   16.018   64.405   25.457 23.12433 30.07690 
1 1 1   11   32   23 o   69.361   14.736   63.910   24.737   62.425   27.507   70.190   56.564   68.256   16.353   74.001   25.381 -5.745445 30.19312 
1 1 1   11   32   24 o  180.708   13.029  418.665   58.399  359.225   71.965  533.299   99.939  165.486   17.688  200.588   20.228 -35.10155 26.87080 
1 1 1   11   32   25 o  161.889   9.7716  332.561   39.318  333.266   48.140  331.147   68.144  161.401   12.030  158.812   17.472 2.588669 21.21293 
1 1 1   11   32   26 o  229.215   10.250  665.581   58.668  668.593   77.271  661.483   90.146  228.102   13.628  225.626   16.105 2.475647 21.09736 
1 1 1   11   32   27 o  223.596   15.960  650.239   88.527  711.749  114.485  558.763  139.614  231.402   20.009  198.418   29.037 32.98395 35.26312 
1 1 1   11   32   28 o  185.372   9.5383  436.120   44.004  444.069   57.897  425.247   67.711  185.974   12.540  180.843   15.133 5.130554 19.65325 
1 1 1   11   32   29 o   94.942   9.3456  115.185   21.870  134.110   27.153   80.234   36.900  102.141   10.810   76.456   19.319 25.68526 22.13794 
1 1 1   11   32   30 o  178.069   9.1472  402.599   40.538  400.945   53.865  404.759   61.559  176.529   12.296  176.569   14.078 -0.3973389E-01 18.69208 
1 1 1   11   33    0 o   55.979   18.189   43.872   29.110   43.872   29.110   0.0000   0.0000   55.979   18.189  ?   ?  0.000000 18.18861 
1 1 1   11   33    1 o  125.254   17.974  219.686   54.607  316.979   64.459 -27.6326  102.771  151.251   17.382   60.163   28.028 91.08774 32.98046 
1 1 1   11   33    2 o   58.047   17.943   46.825   28.645   61.978   30.542 -63.9401   82.577   66.112   18.011   50.605   24.047 15.50703 30.04365 
1 1 1   11   33    3 f  112.659   17.856  175.499   48.558  251.336   56.379 -42.3907   95.565  135.737   17.006   57.729   26.939 78.00821 31.85759 
1 1 1   11   33    4 o  129.863   16.318  227.638   51.748  272.258   60.603  107.536   99.428  141.378   17.543   85.066   32.905 56.31269 37.28884 
1 1 1   11   33    5 o   71.191   28.925   54.755   80.463   0.0000   0.0000   54.755   80.463  ?   ?    71.191   28.925 0.000000 28.92457 
1 1 1   11   33    6 o   60.511   17.251   50.111   27.337   46.319   29.129   78.121   79.160   58.534   18.094   77.232   29.491 -18.69820 34.59928 
1 1 1   11   33    7 o  134.436   16.522  241.312   54.299  314.952   64.772   67.198   99.597  153.405   17.205   78.464   32.064 74.94069 36.38801 
1 1 1   11   33    8 o   98.690   17.318  131.812   41.124  174.704   46.444 -23.8904   88.488  114.180   16.790   59.923   27.207 54.25661 31.97058 
1 1 1   11   33    9 o  108.041   18.036  157.853   46.945  157.853   46.945   0.0000   0.0000  108.041   18.036  ?   ?  0.000000 18.03578 
1 1 1   11   33   10 o   74.158   29.438   58.541   81.345   0.0000   0.0000   58.541   81.345  ?   ?    74.158   29.438 0.000000 29.43814 
1 1 1   11   33   11 o   79.773   18.259   86.943   35.588   86.943   35.588   0.0000   0.0000   79.773   18.259  ?   ?  0.000000 18.25929 
1 1 1   11   33   12 o   50.485   16.540   32.322   24.052   37.789   25.249 -21.3101   79.080   53.824   16.880   57.768   26.022 -3.943680 31.01708 
1 1 1   11   33   13 o   44.969   21.675 -96.9091   72.515   0.0000   0.0000 -96.9091   72.515  ?   ?    44.969   21.675 0.000000 21.67525 
1 1 1   11   33   14 o  115.186   14.157  173.058   39.865  174.223   47.084  170.110   74.921  114.545   16.974  108.553   27.582 5.992493 32.38691 
1 1 1   11   33   15 o  190.740   14.680  471.459   69.387  596.826   96.841  339.198   99.468  212.596   18.423  155.228   26.619 57.36847 32.37227 
1 1 1   11   33   16 o  190.026   14.675  467.691   69.097  587.431   96.381  341.072   99.111  210.960   18.482  155.925   26.396 55.03502 32.22289 
1 1 1   11   33   17 o  203.908   15.078  538.966   76.230  478.283   87.713  726.273  154.101  190.146   18.715  227.696   27.671 -37.54955 33.40535 
1 1 1   11   33   18 o  108.908   15.899  156.328   41.964  217.283   50.575   21.627   75.182  128.645   16.096   64.928   27.306 63.71639 31.69648 
1 1 1   11   33   19 o   97.145   15.201  124.345   35.666  147.589   41.528   59.006   69.625  105.643   16.264   72.636   27.676 33.00671 32.10113 
1 1 1   11   33   20 o   52.256   15.924   35.641   22.656   46.408   24.280 -36.8696   63.008   58.901   16.064   48.936   22.496 9.965351 27.64222 
1 1 1   11   33   21 o  123.738   31.248  225.871   96.576   0.0000   0.0000  225.871   96.576  ?   ?   123.738   31.248 0.000000 31.24774 
1 1 1   11   33   22 o   55.591   15.493   41.158   22.312   44.278   24.107   22.516   58.924   57.593   16.124   59.517   24.531 -1.923908 29.35536 
1 1 1   11   33   23 o   68.548   15.515   63.060   25.940   72.465   29.171   27.521   56.704   73.373   16.340   60.012   24.317 13.36117 29.29715 
1 1 1   11   33   24 o   80.093   14.346   84.913   27.639   88.044   32.105   75.947   54.329   80.967   16.440   75.139   24.869 5.828033 29.81199 
1 1 1   11   33   25 o  158.994   14.448  328.558   56.737  374.767   71.792  251.686   92.597  168.500   17.308  131.433   28.991 37.06708 33.76440 
1 1 1   11   33   26 o  149.216   10.691  284.639   39.574  368.497   49.688  139.167   65.444  169.458   11.816   98.325   26.186 71.13214 28.72828 
1 1 1   11   33   27 o  171.565   10.043  375.135   42.841  418.845   55.245  309.200   67.852  180.406   12.337  152.167   18.219 28.23982 22.00250 
1 1 1   11   33   28 o  102.404   15.100  138.850   37.456  137.945   41.510  142.818   86.899  101.324   17.008   97.598   31.399 3.725998 35.70932 
1 1 1   11   33   29 o   39.471   12.633   19.706   14.081   17.936   16.335   24.827   27.780   39.098   13.627   47.663   17.624 -8.564148 22.27798 
1 1 1   11   33   30 f   81.278   13.572   87.564   26.574   92.450   35.421   81.272   40.193   82.078   17.794   76.140   20.627 5.937958 27.24207 
1 1 1   11   33   31 o   61.448   18.765   51.405   31.439   0.0000   0.0000   51.405   31.439  ?   ?    61.448   18.765 0.000000 18.76517 
1 1 1   11   34    0 o   50.879   24.167 -40.3277   83.250   0.0000   0.0000 -40.3277   83.250  ?   ?    50.879   24.167 0.000000 24.16727 
1 1 1   11   34    1 o   50.245   24.030 -56.7109   85.234   0.0000   0.0000 -56.7109   85.234  ?   ?    50.245   24.030 0.000000 24.02958 
1 1 1   11   34    3 o   69.783   18.874   70.976   33.682   91.485   36.416 -50.4315   88.600   79.421   18.675   53.101   25.138 26.31982 31.31594 
1 1 1   11   34    4 o  117.122   17.199  190.721   48.805  242.962   56.583   38.934   96.450  132.103   17.590   68.255   29.836 63.84815 34.63462 
1 1 1   11   34    5 f  101.127   17.076  141.822   41.588  171.848   46.873   30.750   90.153  111.290   17.439   66.361   28.931 44.92924 33.78031 
1 1 1   11   34    6 o   66.048   28.027   37.206   80.361   0.0000   0.0000   37.206   80.361  ?   ?    66.048   28.027 0.000000 28.02721 
1 1 1   11   34    7 o  112.170   16.582  171.304   45.047  225.882   53.271   34.339   84.389  128.816   16.974   66.902   28.564 61.91389 33.22681 
1 1 1   11   34    8 o   85.377   17.331  100.699   35.687  132.006   40.389 -10.7671   76.211   98.175   17.096   56.779   25.563 41.39601 30.75301 
1 1 1   11   34    9 o   86.484   29.541  113.009   76.617   0.0000   0.0000  113.009   76.617  ?   ?    86.484   29.541 0.000000 29.54123 
1 1 1   11   34   10 o   65.961   18.123   60.238   30.770   68.853   31.296 -189.7849  168.593   70.493   17.781   64.991   31.722 5.501160 36.36493 
1 1 1   11   34   11 o   70.149   17.565   67.886   30.701   91.042   33.810 -40.9350   73.294   81.537   17.149   51.640   23.925 29.89709 29.43578 
1 1 1   11   34   12 o   62.615   16.982   53.590   27.224   63.100   29.497  -1.0927   70.730   67.769   17.354   57.487   25.327 10.28160 30.70241 
1 1 1   11   34   13 o  129.368   14.859  220.500   47.133  258.288   57.652  144.340   81.846  139.094   16.948   97.580   30.358 41.51358 34.76817 
1 1 1   11   34   14 o   84.517   31.177   98.248   86.826   0.0000   0.0000   98.248   86.826  ?   ?    84.517   31.177 0.000000 31.17709 
1 1 1   11   34   15 o   58.934   16.338   46.949   24.879   45.750   26.716   54.781   68.283   58.320   17.182   70.048   27.220 -11.72797 32.18913 
1 1 1   11   34   16 o  117.848   15.654  183.849   44.929  250.088   55.162   53.310   77.438  137.363   16.406   71.829   28.657 65.53387 33.02042 
1 1 1   11   34   17 o  151.276   15.416  300.586   57.422  424.059   76.489  141.136   86.921  178.810   17.348   97.142   31.419 81.66773 35.88991 
1 1 1   11   34   18 o   65.435   17.021   58.259   28.077   79.831   30.642 -54.6771   70.112   76.796   16.472   48.903   22.903 27.89393 28.21070 
1 1 1   11   34   19 o   75.353   16.206   76.751   29.589   89.301   32.773   21.408   68.822   81.254   16.710   62.069   26.115 19.18435 31.00363 
1 1 1   11   34   20 o  174.272   13.561  393.700   58.549  436.921   80.099  344.112   85.796  181.225   17.935  158.002   22.370 23.22330 28.67179 
1 1 1   11   34   21 o  144.253   14.725  272.323   52.300  370.492   70.235  150.139   78.356  167.233   17.057  100.468   29.376 66.76436 33.96866 
1 1 1   11   34   22 o   61.666   27.146  -0.3041   81.098   0.0000   0.0000  -0.3041   81.098  ?   ?    61.666   27.146 0.000000 27.14627 
1 1 1   11   34   23 o   68.088   15.280   62.561   25.342   63.453   28.299   58.949   56.944   68.257   16.732   68.943   25.276 -0.6859970 30.31260 
1 1 1   11   34   24 o   52.015   15.644   35.839   21.972   43.270   24.121  -0.3753   53.249   56.712   16.217   51.047   22.245 5.665180 27.52865 
1 1 1   11   34   25 o   72.784   15.485   71.561   27.281   88.638   32.247   28.576   51.163   80.847   16.530   57.710   23.199 23.13663 28.48556 
1 1 1   11   34   26 o   93.423   14.029  115.431   31.719  111.153   37.757  125.689   58.469   90.382   17.360   93.096   24.731 -2.714523 30.21578 
1 1 1   11   34   27 o   60.907   11.997   49.230   17.598   48.044   19.784   53.728   38.518   59.786   13.563   63.372   20.939 -3.585941 24.94735 
1 1 1   11   34   28 o   86.918   10.145   97.632   21.604  102.024   25.752   87.192   39.700   88.307   11.988   78.739   20.117 9.567497 23.41766 
1 1 1   11   34   29 f   93.861   10.105  113.734   23.312  125.896   28.363   88.410   40.928   98.247   11.796   79.008   20.550 19.23931 23.69517 
1 1 1   11   34   30 o  143.466   9.6974  263.826   34.538  303.359   43.877  199.434   55.998  153.072   11.564  120.064   19.334 33.00776 22.52807 
1 1 1   11   34   31 o   57.440   11.810   44.052   16.374   49.370   17.773   14.191   42.115   60.798   12.131   49.311   20.566 11.48786 23.87747 
1 1 1   11   35    0 o   37.908   15.228   13.738   22.028   11.029   22.787   52.383   86.059   37.096   15.268   61.981   27.589 -24.88540 31.53196 
1 1 1   11   35    1 o   50.799   17.225   37.093   26.046   40.181   27.354   7.1116   85.231   52.491   17.653   56.010   25.896 -3.518295 31.34055 
1 1 1   11   35    2 o   68.168   17.607   69.362   30.184   67.170   32.340   84.171   84.060   66.485   18.697   70.177   29.144 -3.692253 34.62602 
1 1 1   11   35    3 o   47.752   17.149   30.087   26.029   29.070   26.237   93.391  207.006   47.299   17.185   77.298   37.094 -29.99906 40.88156 
1 1 1   11   35    4 o  110.752   16.701  173.755   44.754  203.855   51.422   79.748   90.875  119.152   17.830   71.901   30.118 47.25143 34.99984 
1 1 1   11   35    5 o  137.617   16.168  263.255   54.502  328.318   66.793  133.614   94.283  152.129   17.926   85.067   32.256 67.06149 36.90222 
1 1 1   11   35    6 o   85.080   16.684  102.129   34.181  110.154   37.974   67.866   78.463   87.693   17.945   70.126   28.535 17.56665 33.70900 
1 1 1   11   35    7 o   64.131   27.964   30.732   84.259   0.0000   0.0000   30.732   84.259  ?   ?    64.131   27.964 0.000000 27.96353 
1 1 1   11   35    8 o  132.767   27.775  279.428   89.128   0.0000   0.0000  279.428   89.128  ?   ?   132.767   27.775 0.000000 27.77513 
1 1 1   11   35    9 o   51.982   17.432   35.829   26.674   60.467   28.342 -155.1976   78.920   65.542   17.127   40.774   20.239 24.76719 26.51348 
1 1 1   11   35   10 o   85.697   17.853  102.962   36.964  150.583   41.906 -63.9850   78.464  104.809   16.562   49.424   23.472 55.38522 28.72664 
1 1 1   11   35   11 o   94.651   17.221  123.733   39.204  127.078   40.451   71.956  159.137   95.778   17.560   84.076   37.463 11.70239 41.37431 
1 1 1   11   35   12 o   87.688   16.509  105.488   34.823  124.332   39.086   32.968   76.677   95.096   17.087   64.933   27.456 30.16359 32.33873 
1 1 1   11   35   13 f   58.167   16.752   46.431   25.655   48.438   27.476   32.778   71.658   59.338   17.408   63.845   26.744 -4.506855 31.91046 
1 1 1   11   35   14 o   93.466   14.997  117.360   33.820  108.231   37.945  152.639   74.591   88.477   17.791   99.287   28.556 -10.81026 33.64425 
1 1 1   11   35   15 o   63.637   17.264   55.934   28.132   68.368   29.830 -44.0322   84.582   70.300   17.146   54.943   25.540 15.35727 30.76111 
1 1 1   11   35   16 o  124.407   15.201  205.950   46.243  253.064   56.766  113.000   79.733  137.101   16.941   86.748   30.113 50.35329 34.55096 
1 1 1   11   35   17 o  107.393   15.356  154.149   40.010  184.396   47.163   76.500   75.567  117.009   16.607   76.188   28.880 40.82119 33.31448 
1 1 1   11   35   18 o  171.458   14.608  386.803   61.951  487.169   84.861  272.281   90.648  190.062   18.098  134.923   27.828 55.13898 33.19592 
1 1 1   11   35   19 o  154.048   14.793  312.980   56.206  406.743   75.106  193.622   84.739  173.996   17.524  111.937   29.790 62.05900 34.56246 
1 1 1   11   35   20 o   51.502   16.150   35.048   23.113   38.359   23.804 -19.5310   96.640   53.550   16.323   62.460   28.387 -8.909698 32.74535 
1 1 1   11   35   21 o  148.402   14.212  289.460   52.023  361.242   69.801  199.760   78.028  164.038   17.301  115.354   27.480 48.68323 32.47226 
1 1 1   11   35   22 f  182.647   14.265  437.624   64.546  559.303   93.495  326.825   89.218  203.297   18.624  150.822   24.531 52.47430 30.79986 
1 1 1   11   35   23 o   64.974   28.390   14.133   87.253   0.0000   0.0000   14.133   87.253  ?   ?    64.974   28.390 0.000000 28.39010 
1 1 1   11   35   24 o  158.834   12.941  328.985   50.884  348.415   70.006  307.221   74.090  160.580   17.755  148.892   20.468 11.68822 27.09580 
1 1 1   11   35   25 o   92.975   14.028  115.043   31.557  121.407   38.910  102.811   53.941   94.206   17.173   83.722   24.343 10.48465 29.79046 
1 1 1   11   35   26 o   91.786   14.272  112.535   31.650  134.515   40.705   78.931   50.332   99.258   17.036   74.210   23.898 25.04791 29.34863 
1 1 1   11   35   27 o   47.352   16.242   28.114   23.162   42.410   27.880  -3.7379   41.616   56.079   17.758   44.176   19.447 11.90247 26.33464 
1 1 1   11   35   28 o  171.544   9.7452  377.540   41.574  383.973   53.210  367.459   66.612  171.537   12.508  165.311   16.351 6.226944 20.58616 
1 1 1   11   35   29 o  115.717   9.5357  172.316   27.310  194.106   33.916  132.137   46.055  122.176   11.243   96.601   19.758 25.57515 22.73279 
1 1 1   11   35   30 o   72.467   11.320   69.317   19.814   89.656   23.084   12.386   38.621   82.536   11.513   46.971   19.651 35.56540 22.77578 
1 1 1   11   35   31 o   79.846   21.304   93.071   43.264   0.0000   0.0000   93.071   43.264  ?   ?    79.846   21.304 0.000000 21.30365 
1 1 1   11   35   32 o   51.899   20.328   28.064   38.316   0.0000   0.0000   28.064   38.316  ?   ?    51.899   20.328 0.000000 20.32809 
1 1 1   11   36    0 o   39.886   16.040   17.250   24.472   10.981   25.284  110.128   97.320   37.710   15.846   68.357   29.923 -30.64761 33.85940 
1 1 1   11   36    1 o   79.229   18.411   98.498   35.732  103.284   38.870   72.393   90.779   80.052   19.601   63.593   28.319 16.45908 34.44054 
1 1 1   11   36    2 o  107.369   16.778  170.921   43.514  177.946   48.924  144.323   95.203  107.365   18.940   78.167   31.566 29.19790 36.81261 
1 1 1   11   36    3 o   30.639   13.295   0.8800   18.857   1.1931   19.404  -4.4391   79.983   31.144   13.501   52.724   24.617 -21.58002 28.07627 
1 1 1   11   36    4 o   31.305   13.472   1.9629   19.042   1.4504   19.128   58.242  200.433   31.165   13.457   70.890   34.598 -39.72498 37.12270 
1 1 1   11   36    5 o   51.435   16.886   37.873   25.064   38.406   26.285   32.528   83.206   51.794   17.305   60.318   26.967 -8.523933 32.04218 
1 1 1   11   36    6 o  122.302   16.152  211.851   48.122  240.514   56.469  135.823   91.968  128.565   18.089   82.655   31.734 45.90947 36.52728 
1 1 1   11   36    7 o   76.426   29.726  102.803   81.496   0.0000   0.0000  102.803   81.496  ?   ?    76.426   29.726 0.000000 29.72633 
1 1 1   11   36    8 o  116.642   19.508  199.354   54.816  310.822   63.400 -130.7006  109.095  148.069   17.484   50.471   24.816 97.59845 30.35614 
1 1 1   11   36    9 o   99.232   17.855  140.861   42.618  197.122   49.399 -22.9074   84.281  118.203   17.243   54.741   25.462 63.46229 30.75108 
1 1 1   11   36   10 o   73.130   17.176   76.465   30.833   84.363   33.631   34.847   77.201   76.511   17.917   62.838   27.084 13.67326 32.47410 
1 1 1   11   36   11 o   83.128   17.247   97.869   34.629  122.038   38.844   4.2864   76.434   93.002   17.364   57.444   25.753 35.55803 31.06004 
1 1 1   11   36   12 o  224.213   17.201  692.161   95.576  1024.18  141.031  410.153  129.975  266.402   21.380  151.398   35.068 115.0038 41.07087 
1 1 1   11   36   13 o  123.920   16.237  210.360   49.036  201.676   51.706  287.986  154.591  120.308   17.743  115.197   41.736 5.111053 45.35085 
1 1 1   11   36   14 o   95.370   17.299  126.783   39.681  177.844   45.938 -23.2927   78.756  113.705   16.674   54.568   25.109 59.13681 30.14108 
1 1 1   11   36   15 o  176.201   15.733  418.671   68.499  577.930   94.755  244.346   99.136  204.087   18.804  120.006   32.347 84.08144 37.41562 
1 1 1   11   36   16 o   66.673   17.228   62.430   28.890   79.432   31.477 -28.4217   72.764   75.326   17.122   52.091   24.029 23.23461 29.50549 
1 1 1   11   36   17 o   76.539   28.347   85.464   71.922   0.0000   0.0000   85.464   71.922  ?   ?    76.539   28.347 0.000000 28.34718 
1 1 1   11   36   18 o   86.350   15.936  102.187   33.097  117.724   37.409   46.194   71.016   92.386   16.835   66.138   27.056 26.24798 31.86649 
1 1 1   11   36   19 o   61.080   16.084   51.675   24.871   49.531   26.917   64.191   65.039   59.735   17.146   69.856   26.718 -10.12090 31.74636 
1 1 1   11   36   20 o   86.221   16.162  102.027   33.520  125.253   38.660   31.680   67.282   95.413   16.841   61.913   25.923 33.50040 30.91322 
1 1 1   11   36   21 o   88.711   15.602  107.248   33.300   98.514   35.686  166.075   92.617   84.053   17.568   99.610   32.447 -15.55733 36.89777 
1 1 1   11   36   22 o   36.708   14.228   12.349   18.618   13.775   19.607  -0.7203   59.361   38.010   14.637   52.260   23.104 -14.24985 27.35066 
1 1 1   11   36   23 o  193.111   14.107  493.440   67.559  601.681   99.349  400.331   92.143  208.397   19.310  166.653   22.734 41.74385 29.82816 
1 1 1   11   36   24 o  170.607   17.060  395.980   71.709  493.606   87.226  192.418  125.953  189.091   18.718  102.367   37.583 86.72415 41.98608 
1 1 1   11   36   25 o   83.739   15.146   95.594   30.506  103.919   37.038   78.033   53.791   86.130   17.808   73.048   24.754 13.08244 30.49387 
1 1 1   11   36   26 o   68.550   16.778   65.757   28.489  103.757   35.315  -5.0514   48.207   86.407   16.972   46.580   20.695 39.82746 26.76478 
1 1 1   11   36   27 o   88.896   14.931  107.464   31.971  163.428   43.570   42.175   47.060  109.152   16.499   59.224   22.709 49.92768 28.07004 
1 1 1   11   36   28 o  122.515   10.584  195.074   32.062  222.274   37.797  125.290   60.541  130.256   11.746   89.794   25.697 40.46264 28.25447 
1 1 1   11   36   29 o   36.941   12.897   16.396   14.635   20.685   16.297  -1.4806   33.269   40.477   13.625   39.930   17.487 0.5467300 22.16826 
1 1 1   11   36   30 o   66.682   29.515   26.139   97.159   0.0000   0.0000   26.139   97.159  ?   ?    66.682   29.515 0.000000 29.51532 
1 1 1   11   36   31 o   62.216   22.529   52.798   45.035   0.0000   0.0000   52.798   45.035  ?   ?    62.216   22.529 0.000000 22.52857 
1 1 1   11   37    0 o  128.285   18.251  265.023   56.818  315.231   66.677  131.889  108.576  136.876   20.107   65.906   30.006 70.96970 36.11935 
1 1 1   11   37    1 o   53.970   18.301   47.314   29.403   54.759   30.997 -19.5388   92.887   57.424   18.774   49.798   24.131 7.626011 30.57449 
1 1 1   11   37    2 o   78.725   33.158  190.532  111.129   0.0000   0.0000  190.532  111.129  ?   ?    78.725   33.158 0.000000 33.15750 
1 1 1   11   37    3 o   34.396   14.521   7.2966   21.397   6.0824   22.088   25.789   86.202   34.299   14.628   55.598   25.824 -21.29861 29.67908 
1 1 1   11   37    4 o   41.431   16.017   20.831   23.549   26.261   24.514 -44.1093   84.780   44.298   16.521   48.015   23.216 -3.716557 28.49414 
1 1 1   11   37    5 o   59.164   17.875   54.125   28.638   65.260   30.416 -32.8346   85.000   64.733   18.107   49.775   23.855 14.95750 29.94887 
1 1 1   11   37    6 f   51.130   26.035 -347.7567  183.804   0.0000   0.0000 -347.7567  183.804  ?   ?    51.130   26.035 0.000000 26.03466 
1 1 1   11   37    7 o   72.308   17.962   79.372   32.289   85.242   34.541   38.707   90.912   74.523   18.615   61.259   27.719 13.26431 33.38917 
1 1 1   11   37    8 o   45.306   16.354   27.021   23.706   38.319   24.913 -81.1655   77.091   51.566   16.830   44.130   21.520 7.436092 27.31943 
1 1 1   11   37    9 o  102.249   16.970  151.252   41.812  182.305   48.125   55.648   84.442  111.630   17.867   64.830   28.133 46.79950 33.32684 
1 1 1   11   37   10 o   67.757   28.099   69.724   77.978   0.0000   0.0000   69.724   77.978  ?   ?    67.757   28.099 0.000000 28.09889 
1 1 1   11   37   11 o  104.584   16.576  155.490   41.848  187.667   48.490   61.581   82.840  114.254   17.557   67.106   28.465 47.14770 33.44442 
1 1 1   11   37   12 o   57.641   16.819   47.809   25.710   45.071   27.349   68.615   75.403   56.050   17.567   68.450   27.927 -12.39977 32.99233 
1 1 1   11   37   13 o  133.932   17.557  254.472   57.305  411.085   74.294   24.449   90.039  170.355   17.724   62.600   28.016 107.7548 33.15123 
1 1 1   11   37   14 o  109.413   17.179  169.193   45.391  181.581   47.986   63.875  139.919  113.132   17.555   75.018   34.118 38.11398 38.36964 
1 1 1   11   37   15 o  124.547   15.736  214.052   47.850  266.578   58.368  106.403   83.559  137.803   17.346   79.492   30.312 58.31163 34.92441 
1 1 1   11   37   16 o   55.212   16.631   42.822   24.820   48.959   26.481  -1.5357   71.196   58.695   17.053   54.622   24.639 4.072681 29.96504 
1 1 1   11   37   17 o   65.340   16.729   60.718   27.413   63.995   29.662   41.537   71.769   66.782   17.555   63.370   26.666 3.412315 31.92568 
1 1 1   11   37   18 o   61.292   27.436   12.455   86.398   0.0000   0.0000   12.455   86.398  ?   ?    61.292   27.436 0.000000 27.43591 
1 1 1   11   37   19 o   81.773   17.197   94.640   34.003  129.419   38.930 -17.2660   69.831   96.206   16.817   51.940   23.805 44.26654 29.14562 
1 1 1   11   37   20 o   93.291   15.701  120.158   35.279  137.033   40.950   71.576   69.482   98.857   17.213   70.814   27.475 28.04315 32.42147 
1 1 1   11   37   21 o  152.120   13.744  309.392   51.646  329.549   67.679  281.291   79.913  153.560   17.990  135.980   24.432 17.57906 30.34085 
1 1 1   11   37   22 o  109.401   15.411  163.737   40.936  160.988   45.698  174.904   92.105  107.031   17.718   99.064   32.362 7.966385 36.89432 
1 1 1   11   37   23 o  142.330   14.989  274.414   52.474  375.781   71.283  154.507   77.529  164.397   17.639   95.653   29.511 68.74313 34.38115 
1 1 1   11   37   24 o  109.717   14.069  162.432   37.658  164.292   46.726  158.986   63.610  107.952   17.965  100.648   25.329 7.304451 31.05269 
1 1 1   11   37   25 o   69.877   18.472   70.486   32.722   76.892   34.660   17.942   99.266   72.806   18.898   65.119   29.260 7.687218 34.83246 
1 1 1   11   37   26 o  107.081   14.818  156.195   38.562  228.009   52.675   73.255   56.608  128.213   16.861   70.184   25.281 58.02869 30.38803 
1 1 1   11   37   27 o   59.490   17.205   50.177   27.010   48.309   34.444   53.159   43.524   58.747   19.809   61.789   22.177 -3.041988 29.73561 
1 1 1   11   37   28 o   78.909   16.035   87.179   30.520  139.189   42.576   32.208   43.772   99.080   17.865   54.304   21.583 44.77644 28.01733 
1 1 1   11   37   29 o   84.320   11.659   94.552   23.893   98.818   28.289   83.935   44.629   85.265   13.754   74.379   22.278 10.88665 26.18218 
1 1 1   11   37   30 o   75.205   22.032   85.807   44.037   0.0000   0.0000   85.807   44.037  ?   ?    75.205   22.032 0.000000 22.03157 
1 1 1   11   38    0 o   32.684   14.521   2.8153   23.733   1.4318   23.844  149.762  245.734   32.308   14.441   55.860   28.581 -23.55279 32.02247 
1 1 1   11   38    1 o   99.058   19.549  169.471   46.642  193.422   51.964   70.188  105.797  104.246   20.692   55.853   26.727 48.39314 33.80081 
1 1 1   11   38    2 o   44.644   17.211   29.347   27.130   35.336   28.332 -36.7595   94.127   47.424   17.747   46.886   23.053 0.5386505 29.09230 
1 1 1   11   38    3 f   58.211   27.458   63.639  103.976   0.0000   0.0000   63.639  103.976  ?   ?    58.211   27.458 0.000000 27.45760 
1 1 1   11   38    4 o   57.874   18.441   55.127   30.030   62.684   31.824  -6.2905   90.729   61.270   18.908   50.851   24.444 10.41835 30.90311 
1 1 1   11   38    5 o   62.584   28.159   79.143   92.294   0.0000   0.0000   79.143   92.294  ?   ?    62.584   28.159 0.000000 28.15863 
1 1 1   11   38    6 o   58.501   18.571   54.906   30.477   52.160   30.843  168.677  198.495   57.058   18.731   69.869   34.170 -12.81074 38.96743 
1 1 1   11   38    7 o   40.262   15.846   18.506   23.383   17.696   23.573   68.008  184.317   39.966   15.853   65.762   32.318 -25.79597 35.99710 
1 1 1   11   38    8 o  150.899   17.426  340.688   64.457  444.194   80.970  161.616  106.501  168.960   19.552   79.255   32.850 89.70516 38.22845 
1 1 1   11   38    9 o   58.492   17.542   52.280   27.657   54.427   29.337   35.124   82.928   59.376   18.126   58.534   26.480 0.8419991 32.08983 
1 1 1   11   38   10 o   39.130   15.338   16.437   21.827   23.970   22.756 -70.2341   77.190   43.190   15.955   44.597   21.700 -1.406742 26.93432 
1 1 1   11   38   11 o   66.920   29.182   72.663   91.785   0.0000   0.0000   72.663   91.785  ?   ?    66.920   29.182 0.000000 29.18248 
1 1 1   11   38   12 o   22.683   10.595 -12.3755   14.842 -14.1535   15.159   28.796   72.948   22.457   10.559   57.510   25.509 -35.05338 27.60853 
1 1 1   11   38   13 o   61.665   17.125   56.362   27.310   59.536   29.302   35.373   75.353   63.046   17.821   59.566   26.196 3.479458 31.68264 
1 1 1   11   38   14 o  108.445   15.855  166.771   41.667  187.232   48.460  108.745   81.607  113.425   17.686   76.466   29.745 36.95930 34.60585 
1 1 1   11   38   15 o  122.066   17.306  214.367   51.276  235.721   55.429   87.671  135.012  127.501   17.902   74.043   33.613 53.45800 38.08327 
1 1 1   11   38   16 o   93.596   16.257  124.723   36.618  135.812   41.627   86.785   76.996   96.523   17.930   72.069   28.630 24.45412 33.78151 
1 1 1   11   38   17 o   82.848   17.800  100.288   35.727  139.063   40.649 -31.3773   74.906   98.415   17.164   50.041   23.511 48.37423 29.10986 
1 1 1   11   38   18 o   76.002   17.616   84.308   32.780  107.698   36.560 -11.5808   74.024   86.193   17.582   52.728   24.292 33.46449 29.98706 
1 1 1   11   38   19 o   54.272   25.470 -28.1668   87.471   0.0000   0.0000 -28.1668   87.471  ?   ?    54.272   25.470 0.000000 25.46956 
1 1 1   11   38   20 o   55.806   16.735   44.483   25.171   39.313   27.107   76.850   67.828   53.009   17.568   70.198   27.171 -17.18839 32.35526 
1 1 1   11   38   21 o  137.953   14.933  261.498   50.623  320.952   65.679  174.492   79.454  150.141   17.869   98.756   29.759 51.38440 34.71152 
1 1 1   11   38   22 o   67.541   17.178   66.035   29.040   66.725   32.397   63.213   65.513   67.271   18.641   66.518   26.414 0.7530136 32.32972 
1 1 1   11   38   23 o   98.873   16.009  137.007   38.176  135.914   42.977  141.096   83.122   96.809   18.451   87.911   30.733 8.898026 35.84631 
1 1 1   11   38   24 o  122.187   14.140  203.393   42.346  214.448   54.396  186.386   67.466  122.175   18.400  107.322   25.543 14.85302 31.48008 
1 1 1   11   38   25 o  129.156   13.988  226.623   44.393  246.542   59.353  201.329   66.884  130.853   18.695  112.868   24.438 17.98518 30.76905 
1 1 1   11   38   26 o  132.236   17.961  249.272   57.776  286.054   65.818  125.750  120.615  140.508   19.266   82.243   34.586 58.26501 39.59021 
1 1 1   11   38   27 o  175.349   14.093  416.611   61.188  597.534   94.129  284.214   80.522  204.404   18.646  134.120   24.961 70.28362 31.15630 
1 1 1   11   38   28 o   52.592   17.891   38.111   28.102   39.738   38.078   36.164   41.645   55.019   20.577   54.468   21.232 0.5508614 29.56671 
1 1 1   11   38   29 o   44.272   19.165   6.4539   39.000   0.0000   0.0000   6.4539   39.000  ?   ?    44.272   19.165 0.000000 19.16531 
1 1 1   11   39    0 o   34.958   15.088   12.350   24.023   9.1002   24.138  350.301  246.153   33.885   14.866   53.252   27.340 -19.36689 31.12060 
1 1 1   11   39    1 o   82.015   21.206  134.054   43.754  133.768   44.498  142.373  240.255   81.212   21.575   51.958   26.691 29.25448 34.32062 
1 1 1   11   39    2 o   45.291   17.304   34.054   27.262   31.105   28.289   72.476  102.119   44.058   17.401   53.071   25.617 -9.012936 30.96774 
1 1 1   11   39    3 o   59.356   18.884   63.775   31.499   67.285   33.196   32.055   99.785   60.395   19.404   50.971   24.772 9.424664 31.46664 
1 1 1   11   39    4 o   54.738   26.424   55.887  108.717   0.0000   0.0000   55.887  108.717  ?   ?    54.738   26.424 0.000000 26.42351 
1 1 1   11   39    5 o   56.433   28.684   9.7028  216.000   0.0000   0.0000   9.7028  216.000  ?   ?    56.433   28.684 0.000000 28.68435 
1 1 1   11   39    6 o   54.405   18.248   49.056   29.228   58.762   30.925 -32.1719   89.464   58.939   18.707   47.338   23.106 11.60010 29.72922 
1 1 1   11   39    7 o   83.581   17.962  111.778   36.374  113.483   39.641  102.691   91.490   82.455   19.549   64.825   28.670 17.63011 34.70084 
1 1 1   11   39    8 o   41.316   15.997   21.688   23.519   19.079   24.279   61.379   94.693   40.362   16.064   59.769   27.513 -19.40681 31.85942 
1 1 1   11   39    9 o   86.903   17.726  117.602   37.165  123.961   40.737   86.032   90.766   87.843   19.114   64.356   28.505 23.48724 34.32006 
1 1 1   11   39   10 o   41.204   15.827   21.070   22.885   23.229   23.803  -5.3143   83.195   42.510   16.186   51.490   24.371 -8.979568 29.25587 
1 1 1   11   39   11 o   41.522   15.673   21.825   22.195   22.446   23.153   14.794   77.948   42.111   15.980   53.712   24.810 -11.60102 29.51087 
1 1 1   11   39   12 o   16.631   8.2458 -28.9320   12.952 -28.8398   13.092 -33.1685   88.765   16.794   8.3197   50.444   24.229 -33.65000 25.61774 
1 1 1   11   39   13 o   66.019   18.091   67.505   30.709   80.885   33.267  -9.6006   79.858   72.164   18.403   51.628   24.263 20.53576 30.45250 
1 1 1   11   39   14 o   42.942   15.860   23.720   22.484   28.037   23.545 -20.9844   75.760   45.444   16.311   49.559   23.395 -4.114964 28.52008 
1 1 1   11   39   15 o   31.933   13.646   3.2425   19.292  -0.2758   19.946   54.303   75.986   31.017   13.563   61.976   26.791 -30.95922 30.02800 
1 1 1   11   39   16 o   59.019   17.492   52.359   27.619   57.968   29.454   11.505   79.493   61.777   17.996   55.500   25.422 6.276848 31.14703 
1 1 1   11   39   17 o   41.680   15.869   20.426   22.880   30.558   24.080 -73.7111   73.397   47.187   16.539   43.586   21.197 3.601349 26.88589 
1 1 1   11   39   18 o  151.456   15.030  321.752   56.096  369.756   72.685  251.042   88.216  157.757   18.822  114.862   30.313 42.89521 35.68132 
1 1 1   11   39   19 f   38.237   15.089   14.450   21.256   22.567   22.281 -67.7383   70.897   42.687   15.784   43.653   21.137 -0.9665184 26.37966 
1 1 1   11   39   20 f   57.863   26.979  -1.6615   95.542   0.0000   0.0000  -1.6615   95.542  ?   ?    57.863   26.979 0.000000 26.97930 
1 1 1   11   39   21 o   66.978   17.549   66.644   29.706   63.498   32.762   81.180   70.432   64.695   19.018   69.644   27.472 -4.948761 33.41265 
1 1 1   11   39   22 o   31.342   13.685  -0.6278   20.239  -2.8238   21.386   18.223   62.656   31.379   13.870   54.051   23.824 -22.67152 27.56775 
1 1 1   11   39   23 o   46.826   16.690   28.999   24.609   11.525   26.830  121.620   61.770   39.838   16.498   83.517   26.431 -43.67845 31.15738 
1 1 1   11   39   24 o   72.607   18.256   78.654   33.065   83.660   37.148   59.562   72.546   73.986   19.741   64.935   27.030 9.051315 33.47103 
1 1 1   11   39   25 o   55.524   18.414   44.654   29.778   56.513   35.063   13.964   56.405   61.279   19.964   51.670   22.695 9.609001 30.22657 
1 1 1   11   39   26 o  113.147   15.016  178.565   41.380  212.944   56.137  137.657   61.236  119.752   19.439   89.816   25.885 29.93628 32.37156 
1 1 1   11   39   27 o   30.887   14.350 -17.6788   26.652 -31.6743   32.719   9.9222   45.948   31.871   15.142   47.382   20.655 -15.51042 25.61107 
1 1 1   11   39   28 o   75.803   23.329   93.468   48.484   0.0000   0.0000   93.468   48.484  ?   ?    75.803   23.329 0.000000 23.32930 
1 1 1   11   40    3 o   43.591   22.505 -260.3830  212.967   0.0000   0.0000 -260.3830  212.967  ?   ?    43.591   22.505 0.000000 22.50518 
1 1 1   11   40    4 o   92.046   21.739  168.773   49.170  168.773   49.170   0.0000   0.0000   92.046   21.739  ?   ?  0.000000 21.73876 
1 1 1   11   40    5 o   81.126   19.597  120.253   39.255  123.688   42.548  100.603  101.762   80.018   21.021   55.834   26.578 24.18437 33.88618 
1 1 1   11   40    6 o   53.072   25.807   55.282  108.694   0.0000   0.0000   55.282  108.694  ?   ?    53.072   25.807 0.000000 25.80701 
1 1 1   11   40    7 o   61.575   18.339   65.953   30.305   61.681   32.010  102.860   94.094   58.722   19.073   59.882   27.514 -1.159962 33.47803 
1 1 1   11   40    8 o   57.983   18.463   57.836   30.104   59.244   31.793   45.632   93.619   58.182   19.014   54.162   25.698 4.020329 31.96713 
1 1 1   11   40    9 o   51.696   17.722   43.644   27.573   46.592   28.998   15.842   89.052   53.000   18.174   51.531   24.622 1.468815 30.60231 
1 1 1   11   40   10 o  106.146   18.765  182.937   47.920  179.426   49.957  223.374  169.537  103.390   20.073   69.662   33.467 33.72746 39.02505 
1 1 1   11   40   11 o   66.795   19.074   74.574   33.392   93.353   36.002 -41.0146   89.320   75.000   19.155   47.414   23.131 27.58548 30.03220 
1 1 1   11   40   12 f   77.732   19.502   99.881   37.793  138.076   42.000 -62.6253   86.633   92.852   18.759   45.513   22.324 47.33921 29.15962 
1 1 1   11   40   13 o   49.338   17.547   36.590   27.189   42.771   28.737 -16.1950   83.977   52.409   18.085   49.835   23.838 2.573486 29.92195 
1 1 1   11   40   14 o   69.670   29.325  109.835   86.830   0.0000   0.0000  109.835   86.830  ?   ?    69.670   29.325 0.000000 29.32464 
1 1 1   11   40   15 o   85.478   17.729  112.500   36.601  124.470   40.846   63.716   82.458   88.789   18.996   61.763   27.272 27.02658 33.23559 
1 1 1   11   40   16 o   55.841   17.659   48.045   27.578   48.799   29.453   42.681   78.543   56.044   18.300   58.335   26.132 -2.291309 31.90251 
1 1 1   11   40   17 o   92.042   16.454  125.588   36.432  115.626   40.766  165.101   81.190   85.455   19.530   86.756   30.371 -1.300728 36.10871 
1 1 1   11   40   18 o   84.413   17.705  108.209   36.130   96.512   38.045  215.709  115.335   77.981   19.569   89.128   35.157 -11.14710 40.23576 
1 1 1   11   40   19 o   87.283   17.123  113.809   35.989  119.950   40.686   91.726   77.157   87.935   19.077   69.284   28.256 18.65134 34.09320 
1 1 1   11   40   20 o   49.389   17.436   34.725   26.797   38.068   28.797   13.134   73.184   51.238   18.076   53.859   24.565 -2.620861 30.49895 
1 1 1   11   40   21 o   77.166   18.600   91.633   35.422   81.946   37.359  177.880  111.469   71.748   20.066   84.431   34.136 -12.68249 39.59674 
1 1 1   11   40   22 o   80.329   17.933   97.549   35.062  100.889   40.700   87.934   69.052   79.687   20.374   69.542   27.275 10.14529 34.04451 
1 1 1   11   40   23 o  113.339   15.488  183.544   42.689  185.394   52.768  180.040   72.623  109.554   20.026   97.717   28.198 11.83657 34.58538 
1 1 1   11   40   24 o   68.177   19.321   72.454   34.397  103.043   40.520  -6.4411   65.074   80.944   20.130   49.262   22.724 31.68147 30.35829 
1 1 1   11   40   25 o   53.621   18.921   41.986   31.553   13.991   36.031  134.072   65.348   44.120   18.747   84.890   27.220 -40.76959 33.05058 
1 1 1   11   40   26 o   69.789   18.856   75.135   33.641   75.888   43.118   73.964   53.780   68.066   22.137   66.369   24.526 1.697372 33.03932 
1 1 1   11   40   27 o   44.605   19.971   1.5977   45.806   0.0000   0.0000   1.5977   45.806  ?   ?    44.605   19.971 0.000000 19.97085 
1 1 1   11   41    6 o   65.507   20.137   87.936   36.134   96.757   38.591   25.185  102.925   67.853   20.802   46.366   23.032 21.48733 31.03507 
1 1 1   11   41    7 o   33.219   14.870   4.1544   25.382   4.9700   26.084 -10.3855  110.134   33.749   15.093   45.795   22.915 -12.04606 27.43940 
1 1 1   11   41    8 o   29.763   13.480  -1.9523   21.564  -1.3584   22.135 -13.0162   95.542   30.263   13.687   45.548   22.549 -15.28491 26.37756 
1 1 1   11   41    9 o   38.978   15.906   19.587   24.465   9.7842   25.311  158.909   95.421   35.581   15.421   65.259   29.049 -29.67794 32.88874 
1 1 1   11   41   10 o   92.692   19.345  149.731   43.330  166.352   48.282   80.938   98.224   95.631   20.809   56.136   26.543 39.49490 33.72743 
1 1 1   11   41   11 o   49.379   18.110   40.648   29.237   36.706   29.678  170.435  170.283   47.617   18.087   61.181   30.255 -13.56327 35.24924 
1 1 1   11   41   12 o   54.379   18.238   50.197   29.198   50.339   30.873   48.989   89.887   54.136   18.741   54.493   25.651 -0.3566933 31.76755 
1 1 1   11   41   13 o   42.252   16.421   24.439   24.853   23.096   25.958   39.202   86.089   41.905   16.631   53.897   25.285 -11.99278 30.26445 
1 1 1   11   41   14 o   59.165   18.541   58.775   30.467   64.441   32.589   19.469   85.837   61.396   19.165   52.165   24.709 9.230015 31.27037 
1 1 1   11   41   15 o   49.861   24.466 -36.6680  104.365   0.0000   0.0000 -36.6680  104.365  ?   ?    49.861   24.466 0.000000 24.46616 
1 1 1   11   41   16 o   43.537   16.628   25.846   25.168   29.946   26.532 -10.9655   79.499   45.680   17.158   48.727   23.277 -3.046719 28.91704 
1 1 1   11   41   17 o   37.111   15.380   12.182   23.342   18.135   24.424 -50.5799   79.308   40.022   16.050   44.936   21.894 -4.913914 27.14649 
1 1 1   11   41   18 o   85.434   18.029  114.877   37.255  117.081   41.805  106.372   82.117   83.953   20.188   68.298   28.620 15.65537 35.02409 
1 1 1   11   41   19 o  103.765   18.426  168.564   45.998  167.646   49.818  173.874  119.777  101.142   20.428   75.774   33.182 25.36806 38.96592 
1 1 1   11   41   20 o   77.376   18.823   95.776   36.023  109.121   40.663   47.117   77.647   81.464   20.110   57.974   25.976 23.48923 32.85060 
1 1 1   11   41   21 o   47.882   17.631   32.863   27.749   35.498   30.132   18.150   71.207   49.379   18.336   52.622   24.088 -3.242500 30.27303 
1 1 1   11   41   22 o   24.737   11.858 -24.5042   21.027 -22.1884   22.138 -45.8525   67.214   26.084   12.411   43.176   20.826 -17.09226 24.24332 
1 1 1   11   41   23 o   49.852   23.051   3.1318   67.542   0.0000   0.0000   3.1318   67.542  ?   ?    49.852   23.051 0.000000 23.05050 
1 1 1   11   41   24 o  126.119   15.287  230.564   47.162  198.785   60.719  278.895   74.880  107.772   23.245  126.175   24.649 -18.40368 33.88071 
1 1 1   11   41   25 o   41.107   17.507   12.198   31.558   12.958   37.290   10.282   59.238   43.463   18.778   49.257   22.323 -5.794079 29.17085 
1 1 1   11   41   26 o   54.497   24.185   31.101   65.646   0.0000   0.0000   31.101   65.646  ?   ?    54.497   24.185 0.000000 24.18469 
1 1 1   11   42   11 f   40.696   16.593   24.420   26.596   28.947   27.694 -29.3092   95.402   42.630   17.092   43.768   21.812 -1.138802 27.71084 
1 1 1   11   42   12 o   46.432   17.564   36.876   27.915   37.239   29.186   32.981   95.649   46.537   17.874   49.242   24.003 -2.704308 29.92734 
1 1 1   11   42   13 o   45.976   17.641   34.974   28.409   44.086   29.795 -56.1940   94.246   49.948   18.288   43.295   21.592 6.652889 28.29631 
1 1 1   11   42   14 o   33.300   14.558   5.5230   22.973   0.2591   23.792   78.040   88.309   32.004   14.356   55.774   25.983 -23.77031 29.68514 
1 1 1   11   42   15 o   43.309   17.033   27.570   26.997   29.120   28.384   12.860   87.433   44.142   17.431   49.150   23.719 -5.008617 29.43516 
1 1 1   11   42   16 o   80.098   21.019  117.657   42.571  143.933   45.579 -61.9408  119.161   89.575   20.779   47.701   23.864 41.87445 31.64258 
1 1 1   11   42   17 o   68.162   19.624   82.092   35.212   83.588   38.553   74.566   86.476   67.279   20.819   57.772   26.482 9.507252 33.68625 
1 1 1   11   42   18 o   78.834   18.714  104.227   36.290   81.476   39.922  212.469   87.080   66.160   21.282   86.688   31.337 -20.52811 37.87999 
1 1 1   11   42   19 o   52.798   18.616   46.389   30.539   33.079   32.945  127.641   81.401   47.206   18.736   69.088   28.685 -21.88193 34.26138 
1 1 1   11   42   20 o  120.587   17.517  229.619   51.205  201.452   57.305  341.209  114.059  106.151   22.326  104.185   36.025 1.966469 42.38172 
1 1 1   11   42   21 o   46.510   17.995   31.553   29.744   20.142   32.293   95.402   76.388   42.775   17.937   64.126   27.272 -21.35116 32.64259 
1 1 1   11   42   22 o  101.305   17.865  162.656   43.544  145.316   52.126  202.696   79.210   88.494   23.276   91.889   30.011 -3.394661 37.97916 
1 1 1   11   42   23 o   44.348   18.163   24.293   32.050   3.3371   35.948  105.507   70.768   39.365   17.654   67.908   27.289 -28.54324 32.50114 
1 1 1   11   42   24 o   53.497   26.352 -24.3083  124.952   0.0000   0.0000 -24.3083  124.952  ?   ?    53.497   26.352 0.000000 26.35245 
1 1 1   11   42   25 o   74.310   27.996  127.844   70.743   0.0000   0.0000  127.844   70.743  ?   ?    74.310   27.996 0.000000 27.99636 
1 1 1   12  -30    0 o   65.598   25.857   71.465   62.349 -79.8773  134.143  113.171   70.418   56.443   27.704   77.082   28.131 -20.63916 39.48288 
1 1 1   12  -30    1 o   57.203   27.489 -19.4586  114.548 -19.4586  114.548   0.0000   0.0000   57.203   27.489  ?   ?  0.000000 27.48882 
1 1 1   12  -29    0 o   57.048   27.367 -49.0357  112.462 -49.0357  112.462   0.0000   0.0000   57.048   27.367  ?   ?  0.000000 27.36718 
1 1 1   12  -29    1 o   60.551   24.530   50.655   57.686   18.659  111.773   62.272   67.349   63.080   29.335   64.622   26.382 -1.541695 39.45306 
1 1 1   12  -29    2 o   68.684   25.654   80.346   59.153  111.012  115.718   69.498   68.825   74.540   32.629   65.741   26.735 8.799019 42.18326 
1 1 1   12  -29    3 o   56.027   23.879   37.037   58.791 -10.9743  115.298   53.907   68.343   58.562   27.991   61.188   25.899 -2.625687 38.13448 
1 1 1   12  -28    0 o   31.788   14.220  -6.5197   23.167  -7.1818   27.047  -4.6961   44.888   34.245   15.338   44.395   19.831 -10.14969 25.07035 
1 1 1   12  -28    1 o   49.122   21.683   5.1467   52.079 -23.6469  102.414   15.189   60.482   58.739   27.564   53.999   23.615 4.739429 36.29605 
1 1 1   12  -28    2 o   44.774   20.536 -14.6785   52.100   23.594  104.096 -27.4698   60.179   64.000   29.232   45.723   21.350 18.27749 36.19810 
1 1 1   12  -28    3 f   50.649   22.151   14.030   53.223   89.904  104.491 -12.5508   61.847   72.901   31.465   48.274   22.227 24.62693 38.52357 
1 1 1   12  -28    4 o   47.082   21.358  -2.9192   54.388   24.079  104.137 -13.0456   63.777   62.145   28.695   48.370   22.377 13.77521 36.38844 
1 1 1   12  -28    5 o   57.706   23.739   45.182   55.054   77.570  107.167   33.569   64.168   68.483   30.612   56.437   24.507 12.04594 39.21387 
1 1 1   12  -27    0 o  117.852   12.487  183.119   36.190  139.764   48.078  239.802   54.974   98.690   20.189  132.223   17.046 -33.53232 26.42305 
1 1 1   12  -27    1 o   78.921   16.119   86.749   30.693   83.356   38.791   92.430   50.193   75.474   20.188   77.938   23.690 -2.463226 31.12535 
1 1 1   12  -27    2 o   41.532   16.243   16.821   24.437   6.5813   28.679   43.959   46.689   39.653   16.780   58.873   22.609 -19.22025 28.15545 
1 1 1   12  -27    3 o   48.218   21.385   1.5999   51.246   27.704   96.052  -8.7874   60.590   64.628   28.929   49.562   22.507 15.06525 36.65262 
1 1 1   12  -27    4 o   71.350   25.791   81.928   58.986 -38.5042  106.065  135.853   70.973   57.453   27.286   87.771   28.391 -30.31844 39.37736 
1 1 1   12  -27    5 o   64.870   24.808   64.272   56.070  116.009  104.955   43.610   66.328   78.014   32.496   60.610   25.577 17.40410 41.35411 
1 1 1   12  -27    6 o   47.121   21.452  -5.2912   55.482   0.4818  105.660  -7.4889   65.193   59.826   28.049   49.816   22.894 10.01007 36.20619 
1 1 1   12  -27    7 o   62.007   24.608   59.389   56.829  140.470  106.047   26.725   67.310   79.376   32.830   55.802   24.640 23.57446 41.04814 
1 1 1   12  -26    0 o   58.639   19.278   45.865   32.666   54.852   38.979   24.661   59.874   63.605   21.066   58.898   24.540 4.706814 32.34151 
1 1 1   12  -26    1 o   62.332   17.440   53.900   28.214   50.522   36.051   59.239   45.322   61.024   20.261   65.850   22.712 -4.825840 30.43625 
1 1 1   12  -26    2 o   76.169   16.125   80.165   29.715   70.837   37.787   95.279   48.101   70.251   20.359   80.239   22.885 -9.988762 30.63076 
1 1 1   12  -26    3 o   72.653   16.429   73.820   29.107   66.111   36.138   88.058   49.112   67.684   19.995   76.532   23.468 -8.847816 30.83094 
1 1 1   12  -26    4 o   34.720   14.824   2.6043   22.728  -0.7070   26.023   13.254   46.668   35.694   15.553   49.805   21.253 -14.11147 26.33553 
1 1 1   12  -26    5 o   50.733   21.965   12.085   51.243   90.324   93.422 -21.5839   61.284   75.907   31.040   47.749   22.035 28.15777 38.06661 
1 1 1   12  -26    6 o   45.294   20.614 -11.1314   51.188 -13.2316   93.921 -10.2439   61.053   57.824   26.890   49.115   22.415 8.708950 35.00703 
1 1 1   12  -26    7 o   64.243   24.605   62.028   55.209  132.687  101.766   32.557   65.722   81.768   32.771   58.168   25.030 23.60025 41.23680 
1 1 1   12  -26    8 o   61.653   24.497   55.385   56.380 -13.8220  101.546   86.226   67.788   57.637   27.171   70.864   27.235 -13.22764 38.47118 
1 1 1   12  -26    9 o   61.538   24.667   57.246   57.668   26.611  101.250   71.957   70.161   61.380   28.325   66.123   26.954 -4.743572 39.09993 
1 1 1   12  -25    0 o   68.836   16.813   64.523   28.653  103.789   38.975   18.342   42.268   87.062   18.498   51.368   20.928 35.69433 27.93087 
1 1 1   12  -25    1 o  120.618   12.014  188.545   35.704  133.843   48.800  251.559   52.376   97.951   20.604  137.954   15.470 -40.00289 25.76504 
1 1 1   12  -25    2 o   99.075   16.673  132.894   39.786  101.358   47.578  206.229   72.552   84.083   22.296  118.836   25.228 -34.75259 33.66874 
1 1 1   12  -25    3 o   51.540   17.383   34.213   26.524   32.157   32.565   38.267   45.720   52.184   19.117   58.348   22.381 -6.163651 29.43426 
1 1 1   12  -25    4 o   42.174   16.225   17.582   24.072   8.2948   28.671   39.773   44.317   40.749   16.980   58.119   22.096 -17.36947 27.86661 
1 1 1   12  -25    5 o   52.751   17.200   37.463   26.024   62.102   31.159 -19.3650   47.320   66.124   18.265   43.065   19.685 23.05921 26.85353 
1 1 1   12  -25    6 o   58.148   17.178   47.599   26.672   57.595   31.764   23.704   49.112   63.361   18.754   53.565   22.264 9.795628 29.10968 
1 1 1   12  -25    7 o   51.625   22.091   16.240   50.682   87.240   93.037 -13.7202   60.437   75.431   30.926   48.834   22.293 26.59617 38.12315 
1 1 1   12  -25    8 f   74.745   25.125   90.381   55.412  188.474   96.661   42.366   67.627   98.130   33.183   61.543   25.890 36.58717 42.08809 
1 1 1   12  -25    9 f   49.573   21.752   10.261   51.699   13.626   91.089   8.6623   62.792   60.030   27.390   52.629   23.486 7.401878 36.07999 
1 1 1   12  -25   10 o   66.826   25.348   72.206   58.239   55.955   98.362   80.978   72.268   66.378   29.523   69.510   27.698 -3.132378 40.48258 
1 1 1   12  -25   11 o   69.473   26.051   84.107   61.114   75.012  104.198   88.876   75.455   68.360   30.397   70.288   28.202 -1.928261 41.46432 
1 1 1   12  -24    0 o   73.104   16.705   71.975   29.830   98.109   42.061   45.527   42.313   84.617   20.187   61.547   21.890 23.07021 29.77763 
1 1 1   12  -24    1 o  100.058   13.743  130.871   33.433  189.570   46.334   67.113   48.290  119.960   15.856   71.009   23.444 48.95082 28.30229 
1 1 1   12  -24    2 o  159.723   11.004  326.633   43.624  307.027   61.798  346.108   61.590  152.509   16.489  162.582   15.352 -10.07280 22.52928 
1 1 1   12  -24    3 o   57.004   17.527   43.338   27.374   49.513   34.953   33.542   44.023   61.146   19.934   56.937   21.931 4.209278 29.63643 
1 1 1   12  -24    4 o   97.102   17.122  128.028   40.000  143.273   48.196   94.284   71.706  101.632   19.701   81.348   28.539 20.28405 34.67860 
1 1 1   12  -24    5 o   72.594   16.121   72.250   28.463   34.195   35.027  146.230   48.838   53.845   19.812  102.202   19.851 -48.35691 28.04597 
1 1 1   12  -24    6 o   55.102   17.062   41.242   25.888   34.749   30.801   56.866   47.778   52.659   18.682   65.084   23.249 -12.42514 29.82485 
1 1 1   12  -24    7 f   51.453   16.840   35.353   24.937   33.628   29.032   40.208   48.702   51.406   18.148   58.956   22.966 -7.549049 29.27124 
1 1 1   12  -24    8 o   43.141   16.099   20.996   23.282   29.744   26.356 -10.0784   49.676   48.542   17.275   45.698   20.601 2.844151 26.88528 
1 1 1   12  -24    9 o   54.521   22.586   27.660   50.308 -37.5924   86.633   60.861   61.795   53.795   25.278   66.191   25.846 -12.39568 36.15258 
1 1 1   12  -24   10 o   49.113   21.587   7.1012   51.114 -25.3122   89.819   22.626   62.161   55.401   25.938   55.918   24.202 -0.5172234 35.47554 
1 1 1   12  -24   11 o   63.911   24.736   60.593   56.213   31.260   93.484   77.206   70.354   63.011   28.346   69.461   27.439 -6.449924 39.45152 
1 1 1   12  -24   12 o   73.444   26.280   93.536   61.074  161.427  102.114   55.723   76.207   86.267   33.353   63.916   27.213 22.35062 43.04585 
1 1 1   12  -23    0 o  112.028   20.980  169.433   56.534  203.791   95.461  150.873   70.161  118.718   31.630  103.654   26.880 15.06340 41.50909 
1 1 1   12  -23    1 o  227.329   11.289  655.717   64.085  758.058   92.496  561.238   88.872  242.344   15.364  207.455   17.313 34.88878 23.14706 
1 1 1   12  -23    2 o  301.274   12.420  1157.38   93.441  1211.98  133.167  1104.43  131.148  304.697   17.576  290.385   18.177 14.31277 25.28513 
1 1 1   12  -23    3 o  107.937   12.673  150.860   33.509  151.505   45.687  150.110   49.295  106.397   17.826  105.257   19.471 1.139618 26.39882 
1 1 1   12  -23    4 o  148.937   11.270  284.349   41.605  257.737   57.795  312.971   59.939  139.495   16.939  154.445   15.762 -14.95009 23.13807 
1 1 1   12  -23    5 o   54.298   17.288   38.591   26.397   66.665   32.741 -13.5450   44.618   69.632   18.511   43.960   19.694 25.67223 27.02789 
1 1 1   12  -23    6 o  161.066   13.716  338.733   54.641  257.787   67.344  494.690   93.477  136.820   20.329  190.527   19.943 -53.70750 28.47733 
1 1 1   12  -23    7 o   77.795   15.953   82.565   29.952  102.482   37.104   45.313   50.745   86.101   17.843   62.148   23.640 23.95331 29.61829 
1 1 1   12  -23    8 f   42.854   15.949   20.053   22.823   31.381   26.240 -15.1358   46.249   49.841   17.276   43.741   19.783 6.099976 26.26485 
1 1 1   12  -23    9 o  129.964   12.237  222.005   39.247  218.654   49.896  227.442   63.559  126.713   16.135  125.892   20.954 0.8205338 26.44611 
1 1 1   12  -23   10 o   70.325   17.191   70.290   29.937   85.874   35.732   33.591   54.834   77.115   18.739   57.929   23.745 19.18554 30.24907 
1 1 1   12  -23   11 o   96.163   24.820  147.047   60.006  155.303   99.531  142.332   75.211   90.705   33.393   90.682   29.215 0.2241516E-01 44.36861 
1 1 1   12  -23   12 o   70.935   24.891   79.963   54.546   94.371   91.856   72.115   67.793   75.304   30.785   68.847   27.018 6.457336 40.95959 
1 1 1   12  -23   13 o   49.246   21.753   7.9102   52.507 -40.8510   87.746   35.110   65.535   52.222   24.807   58.633   25.106 -6.411686 35.29459 
1 1 1   12  -23   14 o   63.497   24.650   62.234   55.954   12.270   89.391   94.421   71.748   58.423   26.834   72.781   28.008 -14.35854 38.78779 
1 1 1   12  -22    0 o  144.027   10.979  263.671   39.189  265.304   57.244  262.230   53.764  142.977   16.326  142.443   15.357 0.5332184 22.41374 
1 1 1   12  -22    1 o  326.919   12.704  1357.72  103.713  1475.74  148.290  1244.72  145.107  337.741   17.644  309.328   18.876 28.41315 25.83767 
1 1 1   12  -22    2 o  237.413   16.282  728.259   95.944  876.910  145.260  613.222  127.785  256.553   22.915  213.326   24.428 43.22670 33.49316 
1 1 1   12  -22    3 o  130.262   12.198  217.523   39.215  360.708   57.076   89.496   53.971  167.496   13.768   81.023   24.552 86.47263 28.14854 
1 1 1   12  -22    4 o  136.302   11.945  238.098   40.248  294.612   56.455  179.681   57.397  150.593   15.221  115.217   20.710 35.37639 25.70212 
1 1 1   12  -22    5 o  230.268   11.106  674.093   63.864  620.451   90.133  728.175   90.503  217.925   16.689  236.950   15.378 -19.02518 22.69421 
1 1 1   12  -22    6 o   81.737   15.343   89.159   30.167  113.498   38.703   51.480   48.156   91.711   17.539   64.876   23.323 26.83556 29.18155 
1 1 1   12  -22    7 o   98.742   13.147  127.591   31.611  116.157   40.731  144.910   50.128   92.247   18.327  102.419   20.317 -10.17203 27.36191 
1 1 1   12  -22    8 o  222.982   13.770  647.468   76.301  459.857   96.739  956.297  124.118  182.299   21.675  266.629   18.761 -84.33038 28.66678 
1 1 1   12  -22    9 o   75.138   15.740   77.018   28.587   51.989   34.549  131.364   50.909   61.757   19.791   95.769   21.779 -34.01240 29.42800 
1 1 1   12  -22   10 o   30.969   13.566  -2.9366   20.035 -14.2085   22.097   49.123   47.489   29.017   13.333   62.179   23.033 -33.16206 26.61383 
1 1 1   12  -22   11 o  134.506   12.432  238.240   41.284  220.124   51.658  270.264   68.682  126.663   16.742  137.532   20.635 -10.86961 26.57244 
1 1 1   12  -22   12 o   48.769   20.836   11.835   44.956   33.091   80.766   2.2929   54.114   63.780   27.595   49.982   22.080 13.79843 35.34167 
1 1 1   12  -22   13 o   54.338   22.693   26.483   51.374   56.276   85.650   9.7418   64.205   68.027   28.904   54.283   24.012 13.74329 37.57677 
1 1 1   12  -22   14 o   76.872   25.596   97.698   57.519  110.741   93.068   89.636   73.166   78.559   31.391   73.551   28.289 5.008598 42.25695 
1 1 1   12  -22   15 o   44.607   20.502 -14.5464   52.307  -8.7745   86.509 -17.8727   65.672   55.683   25.865   48.753   22.608 6.930534 34.35315 
1 1 1   12  -22   16 o   66.952   25.355   74.115   58.210  130.969   93.097   37.619   74.589   79.753   31.545   59.668   26.156 20.08504 40.97832 
1 1 1   12  -21    0 o  167.927   10.534  357.047   43.949  379.017   64.542  338.053   60.011  171.780   15.203  162.228   14.983 9.551956 21.34504 
1 1 1   12  -21    1 o  102.529   12.448  135.060   31.217  162.262   46.138  112.093   42.394  111.256   17.158   91.570   19.155 19.68523 25.71626 
1 1 1   12  -21    2 o  289.633   11.651  1061.65   84.270  1135.82  120.728  991.169  117.682  297.255   16.327  277.249   17.081 20.00586 23.62859 
1 1 1   12  -21    3 o  131.985   11.323  221.995   36.957  263.552   52.868  182.280   51.683  142.857   15.046  117.559   18.193 25.29749 23.60863 
1 1 1   12  -21    4 o  228.193   16.567  673.394   93.760  780.335  141.577  589.851  125.134  241.489   23.786  209.336   24.395 32.15236 34.07175 
1 1 1   12  -21    5 o  124.413   11.865  198.245   36.417  230.282   50.486  163.494   52.581  133.071   15.482  110.382   19.803 22.68904 25.13685 
1 1 1   12  -21    6 o  134.022   11.250  229.543   37.302  210.618   51.168  251.011   54.496  126.642   16.578  138.620   16.039 -11.97826 23.06680 
1 1 1   12  -21    7 f   99.185   13.231  128.011   31.953  140.441   42.230  111.365   48.870  102.691   17.067   89.644   21.996 13.04655 27.84067 
1 1 1   12  -21    8 o  158.907   11.400  323.582   44.936  357.050   61.252  284.576   66.127  165.466   14.986  145.913   18.569 19.55280 23.86208 
1 1 1   12  -21    9 o   94.845   14.383  118.939   32.996  149.730   41.746   67.682   53.862  105.867   16.315   71.380   24.752 34.48698 29.64486 
1 1 1   12  -21   10 o  126.599   15.841  213.424   48.984  238.626   58.027  150.935   91.374  132.839   17.952   98.378   32.238 34.46098 36.89925 
1 1 1   12  -21   11 o   66.520   16.064   60.842   26.384   64.282   30.637   50.968   51.907   67.948   17.831   64.162   24.019 3.786873 29.91401 
1 1 1   12  -21   12 o   66.404   15.897   61.022   26.011   47.667   29.813  103.596   53.231   58.796   18.327   83.156   24.183 -24.35977 30.34283 
1 1 1   12  -21   13 o   64.575   16.120   58.357   25.913   40.843   29.422  118.927   54.715   54.898   18.308   88.144   24.145 -33.24570 30.30138 
1 1 1   12  -21   14 o   92.457   24.505  134.060   57.491  246.110   90.164   57.292   74.630  120.419   30.074   67.484   27.687 52.93563 40.87755 
1 1 1   12  -21   15 o   67.109   24.340   67.850   52.598  149.870   87.809   21.950   65.687   90.001   31.581   56.970   24.767 33.03101 40.13437 
1 1 1   12  -21   16 o   58.136   23.694   40.724   54.203   85.857   90.492   15.471   67.689   72.852   30.245   55.497   24.597 17.35451 38.98444 
1 1 1   12  -21   17 o   35.299   17.247 -71.8082   50.229 -157.8822   82.152 -20.4231   63.475   40.083   20.017   47.484   22.090 -7.401047 29.81013 
1 1 1   12  -21   18 o   56.446   25.007   26.899   69.901   0.0000   0.0000   26.899   69.901  ?   ?    56.446   25.007 0.000000 25.00738 
1 1 1   12  -20    0 o  368.013   13.299  1716.12  122.221  1794.85  174.426  1640.19  171.309  373.231   18.775  356.424   19.319 16.80688 26.93905 
1 1 1   12  -20    1 o   67.554   15.458   60.406   25.513   85.910   38.490   40.420   34.073   80.099   19.440   57.885   19.701 22.21419 27.67712 
1 1 1   12  -20    2 o   93.621   12.709  112.968   28.944   98.969   42.402  125.182   39.608   85.836   20.130   97.595   16.862 -11.75932 26.25912 
1 1 1   12  -20    3 o  174.029   10.514  383.431   45.479  398.678   65.883  369.553   62.857  176.198   15.120  169.634   14.993 6.563782 21.29315 
1 1 1   12  -20    4 o  317.019   12.042  1272.78   95.327  1547.59  137.682  1019.74  132.117  347.781   15.853  280.271   18.989 67.51050 24.73674 
1 1 1   12  -20    5 o  102.312   12.700  134.814   31.749  170.974   44.471   97.226   45.341  114.491   15.991   84.648   21.429 29.84341 26.73821 
1 1 1   12  -20    6 o   51.117   21.328   10.242   45.321 -33.3585   76.261   34.048   56.352   55.732   25.286   62.479   24.597 -6.747452 35.27569 
1 1 1   12  -20    7 o  361.461   13.360  1666.43  120.591  1817.13  171.111  1517.71  169.978  374.000   18.321  339.948   20.112 34.05249 27.20625 
1 1 1   12  -20    8 o  144.107   11.832  265.768   42.205  306.289   57.873  219.740   61.682  153.573   15.294  128.059   19.937 25.51369 25.12766 
1 1 1   12  -20    9 o  103.997   12.727  140.173   32.363  150.997   42.024  124.397   50.733  106.826   16.267   94.810   21.874 12.01653 27.25905 
1 1 1   12  -20   10 o  110.277   12.381  157.533   33.506  153.838   42.978  163.260   53.503  107.484   16.543  109.161   20.377 -1.677147 26.24626 
1 1 1   12  -20   11 o   58.833   17.946   46.446   28.766   38.159   31.132   94.831   75.229   55.020   18.831   82.471   29.203 -27.45110 34.74814 
1 1 1   12  -20   12 o  131.105   12.120  223.194   39.232  234.767   49.644  203.945   64.025  133.064   15.214  120.145   22.156 12.91985 26.87669 
1 1 1   12  -20   13 o   88.887   14.326  105.903   30.719   91.467   36.481  141.087   56.951   80.790   18.483   98.011   23.560 -17.22055 29.94490 
1 1 1   12  -20   14 o   79.864   14.697   86.778   28.231   78.506   32.491  112.267   57.032   74.656   17.698   85.790   25.055 -11.13412 30.67535 
1 1 1   12  -20   15 o   27.415   12.320  -6.7850   17.604 -13.0918   18.664   44.044   52.987   26.317   12.150   60.643   23.858 -34.32668 26.77400 
1 1 1   12  -20   16 o   88.990   24.581  125.424   56.431  168.020   89.979   97.808   72.450   95.963   32.017   77.511   28.497 18.45181 42.86206 
1 1 1   12  -20   17 o   69.904   27.590   74.464   71.074   0.0000   0.0000   74.464   71.074  ?   ?    69.904   27.590 0.000000 27.59037 
1 1 1   12  -20   18 o   55.965   25.836  -5.3394   84.355  -5.3394   84.355   0.0000   0.0000   55.965   25.836  ?   ?  0.000000 25.83589 
1 1 1   12  -20   19 o   43.854   20.207 -14.6624   51.247 -66.2735   84.994   14.818   64.237   48.163   23.277   53.472   23.816 -5.309376 33.30182 
1 1 1   12  -19    0 o   82.311   13.349   87.865   26.499  106.983   40.716   73.817   34.903   89.766   18.767   74.456   18.776 15.31020 26.54694 
1 1 1   12  -19    1 o  155.930   13.552  310.255   52.244  302.881   74.204  317.504   73.568  152.154   20.015  156.087   19.285 -3.933121 27.79396 
1 1 1   12  -19    2 o  275.051   11.350  954.650   77.956  987.952  111.778  923.113  108.776  277.862   16.179  268.513   16.300 9.349731 22.96622 
1 1 1   12  -19    3 o  204.195   10.376  526.722   52.734  613.173   76.606  448.862   72.701  219.330   14.061  187.019   15.713 32.31053 21.08532 
1 1 1   12  -19    4 f  120.573   11.160  185.044   33.221  264.558   48.630  115.470   45.489  143.743   13.714   92.819   20.199 50.92406 24.41488 
1 1 1   12  -19    5 o   74.170   15.232   72.612   27.268  118.500   38.785   27.756   38.346   94.822   17.004   53.990   20.547 40.83199 26.67060 
1 1 1   12  -19    6 o  323.378   12.418  1325.34  100.276  1536.03  143.163  1122.43  140.499  346.140   16.563  293.997   19.243 52.14212 25.38957 
1 1 1   12  -19    7 o  138.345   11.024  243.451   37.770  254.502   52.969  232.018   53.873  140.289   15.371  133.523   16.509 6.766403 22.55701 
1 1 1   12  -19    8 f   79.719   23.372   86.090   49.542  104.705   80.992   74.961   62.624   88.888   30.373   77.010   26.690 11.87881 40.43339 
1 1 1   12  -19    9 o  168.235   10.812  359.813   45.183  401.539   62.158  313.066   65.792  176.649   14.211  154.695   17.329 21.95428 22.41091 
1 1 1   12  -19   10 o  197.426   10.883  495.854   53.447  531.789   74.050  456.777   77.219  202.953   14.711  187.126   16.701 15.82709 22.25573 
1 1 1   12  -19   11 o  125.431   11.779  202.234   36.461  223.922   48.142  173.061   55.836  130.929   14.995  112.683   20.602 18.24574 25.48121 
1 1 1   12  -19   12 o  141.991   11.665  259.293   40.997  269.801   53.597  244.475   63.648  143.440   15.194  134.424   19.532 9.015579 24.74639 
1 1 1   12  -19   13 o   82.831   17.291   93.677   34.611   91.744   37.374  105.322   91.722   81.445   18.763   86.468   32.015 -5.022484 37.10754 
1 1 1   12  -19   14 o   58.838   16.583   47.326   25.412   49.306   28.830   40.430   53.801   60.036   17.889   61.457   24.084 -1.420662 30.00057 
1 1 1   12  -19   15 o   40.735   15.373   17.231   21.351   28.068   23.376 -37.3197   52.446   47.294   16.311   42.634   19.916 4.659557 25.74280 
1 1 1   12  -19   16 o   85.843   14.831  100.382   30.642   94.474   35.717  116.852   59.635   81.728   17.988   86.746   25.701 -5.017204 31.37077 
1 1 1   12  -19   17 o   61.285   17.213   53.361   27.428   50.745   30.902   63.070   59.539   59.769   18.663   67.182   25.594 -7.413712 31.67649 
1 1 1   12  -19   18 o   63.598   24.142   56.733   52.853   43.047   82.783   66.151   68.670   65.009   28.032   68.135   27.047 -3.126015 38.95362 
1 1 1   12  -19   19 o   55.267   22.805   32.323   50.999 -40.1043   83.498   75.418   64.408   51.712   24.457   69.426   26.580 -17.71374 36.11994 
1 1 1   12  -19   20 o   53.301   22.672   25.533   52.801 -22.0251   85.151   55.243   67.302   53.584   25.141   63.300   26.166 -9.716080 36.28633 
1 1 1   12  -19   21 o   41.675   19.612 -29.0722   52.488 -18.6539   86.297 -35.1893   66.126   53.251   25.087   45.689   21.655 7.562103 33.14003 
1 1 1   12  -18    0 o  561.915   17.974  4034.95  252.217  4266.20  358.060  3807.21  355.332  571.615   25.084  538.712   26.414 32.90350 36.42659 
1 1 1   12  -18    1 f  381.766   13.469  1844.39  128.401  1843.65  182.836  1845.12  180.361  378.525   19.408  378.836   19.127 -0.3113098 27.24907 
1 1 1   12  -18    2 o  287.588   11.593  1043.30   83.258  1072.73  119.231  1015.30  116.313  289.646   16.553  281.740   16.606 7.905701 23.44668 
1 1 1   12  -18    3 o  166.543   13.481  353.479   55.585  402.633   79.100  305.528   78.126  176.413   18.218  152.492   21.080 23.92171 27.86130 
1 1 1   12  -18    4 o   94.430   12.318  114.544   28.356  118.107   41.563  111.442   38.784   94.483   18.277   91.894   17.541 2.588402 25.33212 
1 1 1   12  -18    5 o  451.494   15.134  2594.62  170.628  2858.93  242.768  2336.59  239.868  470.067   20.681  422.844   22.801 47.22260 30.78309 
1 1 1   12  -18    6 o  158.434   10.477  317.793   41.217  352.008   59.008  285.194   57.598  165.805   14.394  148.737   15.747 17.06833 21.33443 
1 1 1   12  -18    7 f  244.507   11.029  754.854   67.342  860.374   95.970  652.500   94.519  259.460   14.874  225.046   16.943 34.41379 22.54580 
1 1 1   12  -18    8 o  360.055   13.370  1646.85  120.213  1789.21  170.595  1506.44  169.426  372.495   18.340  340.243   20.029 32.25232 27.15716 
1 1 1   12  -18    9 o  235.052   10.667  697.995   62.615  735.994   88.203  659.391   88.902  239.645   14.811  226.370   15.827 13.27592 21.67625 
1 1 1   12  -18   10 o  254.476   16.376  836.070  103.515  999.411  152.202  695.489  141.201  274.516   22.398  226.847   25.360 47.66887 33.83471 
1 1 1   12  -18   11 o  129.050   11.112  212.606   35.460  165.077   46.410  279.273   54.966  111.808   17.171  146.743   15.221 -34.93567 22.94632 
1 1 1   12  -18   12 o  118.907   11.867  181.672   34.766  172.358   45.081  195.341   54.613  114.402   16.236  120.969   18.680 -6.567802 24.74980 
1 1 1   12  -18   13 o   41.769   15.631   17.642   21.981   17.244   24.933   19.031   46.568   43.063   16.525   53.636   21.922 -10.57337 27.45304 
1 1 1   12  -18   14 o   43.519   15.455   21.881   21.083   9.1340   23.298   79.509   49.538   38.395   15.577   75.570   23.635 -37.17497 28.30667 
1 1 1   12  -18   15 o  171.080   14.935  385.148   63.167  358.578   74.318  454.300  119.896  162.777   18.618  175.260   28.364 -12.48299 33.92853 
1 1 1   12  -18   16 o   79.652   25.179   93.251   56.072   0.0000   0.0000   93.251   56.072  ?   ?    79.652   25.179 0.000000 25.17946 
1 1 1   12  -18   17 o  104.678   15.993  149.278   40.478  149.278   40.478   0.0000   0.0000  104.678   15.993  ?   ?  0.000000 15.99257 
1 1 1   12  -18   18 o   48.507   15.963   31.235   22.394   31.148   24.420   31.697   56.153   48.871   16.678   57.991   23.930 -9.119911 29.16830 
1 1 1   12  -18   19 o   55.563   22.274   33.863   47.022   91.462   79.823   3.2535   58.191   76.055   29.465   51.380   22.787 24.67504 37.24834 
1 1 1   12  -18   20 o   57.929   23.284   40.039   51.534   42.760   82.898   38.325   65.790   64.537   27.940   60.463   25.492 4.074184 37.82161 
1 1 1   12  -18   21 f   50.697   22.000   14.836   51.637   39.814   82.997  -0.9380   65.956   62.958   27.594   51.896   23.534 11.06231 36.26699 
1 1 1   12  -18   22 o   62.824   24.546   59.923   55.761   43.914   88.939   70.291   71.575   63.176   28.088   66.655   27.203 -3.478455 39.10161 
1 1 1   12  -17    0 o  173.964   9.7033  381.435   41.985  424.609   62.181  345.259   56.919  182.753   13.726  164.635   13.977 18.11818 19.58936 
1 1 1   12  -17    1 o  243.731   10.570  747.500   64.332  772.323   92.972  724.698   89.110  246.289   15.191  238.596   15.033 7.693665 21.37160 
1 1 1   12  -17    2 o  314.682   11.905  1248.99   93.549  1326.76  133.795  1174.60  130.850  322.371   16.677  302.990   17.366 19.38089 24.07738 
1 1 1   12  -17    3 o  131.907   10.241  220.214   33.468  235.212   49.691  207.762   45.278  135.359   14.950  127.225   14.511 8.133308 20.83485 
1 1 1   12  -17    4 o  140.943   10.072  251.184   35.214  266.877   51.812  237.711   48.006  144.343   14.574  136.207   14.329 8.136108 20.43796 
1 1 1   12  -17    5 o  171.774   13.460  375.819   57.273  428.581   80.836  322.636   81.158  182.154   18.007  156.718   21.289 25.43614 27.88301 
1 1 1   12  -17    6 o  249.243   10.781  782.954   67.099  829.388   96.582  739.634   93.288  254.914   15.242  240.547   15.615 14.36737 21.82058 
1 1 1   12  -17    7 o  352.219   12.910  1570.74  113.549  1699.69  161.444  1444.51  159.734  364.151   17.754  334.474   19.205 29.67712 26.15372 
1 1 1   12  -17    8 o  226.487   10.680  646.919   60.404  649.031   85.725  644.836   85.127  225.182   15.336  224.471   15.277 0.7112274 21.64699 
1 1 1   12  -17    9 o  366.635   13.339  1706.00  122.129  1892.50  173.277  1521.89  172.162  383.559   18.091  342.172   20.239 41.38684 27.14545 
1 1 1   12  -17   10 o  158.007   10.739  316.650   42.121  356.962   58.419  273.003   60.786  166.891   14.151  144.881   17.133 22.01012 22.22137 
1 1 1   12  -17   11 o  296.280   13.739  1117.84  101.648  1342.43  182.127  1016.24  122.502  318.396   23.063  280.256   17.593 38.13943 29.00700 
1 1 1   12  -17   12 o  163.187   16.660  346.332   66.940  395.113  100.587  307.555   89.683  170.838   24.259  150.145   24.784 20.69313 34.68100 
1 1 1   12  -17   13 f  149.462   10.607  284.323   39.332  290.034   51.561  276.375   60.828  149.950   13.929  145.179   17.107 4.771057 22.06023 
1 1 1   12  -17   14 o   87.675   13.894  100.902   29.406  105.780   35.710   90.626   51.830   88.943   16.691   80.872   23.960 8.071297 29.20045 
1 1 1   12  -17   15 o  160.795   11.774  332.050   46.946  386.929   61.090  252.893   73.368  172.534   14.308  135.263   22.512 37.27122 26.67423 
1 1 1   12  -17   16 o   63.938   16.931   55.823   27.460   63.845   31.723   31.852   54.837   68.104   18.273   59.818   24.027 8.285812 30.18663 
1 1 1   12  -17   17 o   83.001   17.224   94.679   34.531   90.251   36.347  135.714  110.648   80.522   18.469   93.429   35.050 -12.90631 39.61773 
1 1 1   12  -17   18 o   90.369   14.197  109.541   30.981  126.923   36.389   63.741   59.066   96.770   15.588   69.087   25.669 27.68251 30.03111 
1 1 1   12  -17   19 o  137.248   12.181  247.484   41.314  257.726   50.649  227.120   71.419  138.433   14.885  123.149   24.087 15.28471 28.31494 
1 1 1   12  -17   20 o   41.841   15.353   20.324   21.015   16.301   22.667   44.943   56.075   40.520   15.700   61.262   24.403 -20.74230 29.01727 
1 1 1   12  -17   21 o   48.552   21.121   8.3743   47.825 -14.5387   76.723   22.935   61.162   53.867   24.785   56.215   24.167 -2.347504 34.61735 
1 1 1   12  -17   22 o   46.561   20.771  -0.5130   49.068 -98.3995   78.622   61.940   62.800   44.112   21.559   65.531   25.912 -21.41932 33.70827 
1 1 1   12  -17   23 o  102.615   24.961  174.781   63.349  229.799   99.607  137.413   82.091  105.474   33.583   84.381   30.438 21.09325 45.32402 
1 1 1   12  -17   24 o   47.257   21.439  -1.0575   54.804   43.336   89.970 -27.2468   69.103   62.258   27.923   47.561   22.419 14.69690 35.80959 
1 1 1   12  -16    0 o   95.798   18.229  120.634   42.015   65.778   67.584  155.189   53.640   76.407   27.609  108.390   20.570 -31.98307 34.42924 
1 1 1   12  -16    1 o  419.728   14.497  2229.53  151.952  2218.33  216.019  2240.50  213.783  415.205   20.901  417.980   20.482 -2.775421 29.26366 
1 1 1   12  -16    2 f  397.955   14.036  2003.35  139.487  1977.76  198.225  2028.44  196.318  392.154   20.312  397.916   19.757 -5.762543 28.33539 
1 1 1   12  -16    3 o  160.550   9.7781  325.133   39.016  327.184   56.992  323.325   53.524  160.117   14.408  159.355   13.580 0.7623138 19.79900 
1 1 1   12  -16    4 o  125.236   9.9820  198.442   30.958  298.758   46.543  118.839   41.460  153.395   12.253   94.965   18.145 58.43017 21.89409 
1 1 1   12  -16    5 o  224.402   10.222  633.554   57.279  677.542   82.613  592.832   79.488  230.772   14.408  215.679   14.849 15.09280 20.68989 
1 1 1   12  -16    6 o  109.359   10.749  152.033   28.976  217.946   42.767   96.098   39.397  130.603   13.299   84.978   19.038 45.62584 23.22284 
1 1 1   12  -16    7 o  448.667   21.761  2606.12  243.810  2726.59  344.589  2485.36  345.009  450.104   30.844  427.937   32.528 22.16702 44.82666 
1 1 1   12  -16    8 o  344.021   12.473  1496.29  107.156  1573.99  152.382  1420.27  150.714  350.789   17.395  332.376   18.228 18.41309 25.19624 
1 1 1   12  -16    9 o  289.609   11.781  1059.48   85.198  1215.54  121.118  906.626  119.868  308.417   15.779  265.214   18.209 43.20325 24.09473 
1 1 1   12  -16   10 f  191.614   10.100  463.817   48.160  442.154   67.760  485.931   68.461  185.861   14.720  195.072   14.150 -9.211288 20.41813 
1 1 1   12  -16   11 o   72.345   14.637   68.941   25.535   71.581   33.240   65.140   39.887   73.186   18.250   70.271   21.065 2.914917 27.87109 
1 1 1   12  -16   12 o   65.453   15.635   56.921   25.206   62.828   31.653   46.683   41.671   68.595   18.184   62.473   21.765 6.121872 28.36131 
1 1 1   12  -16   13 o  124.502   15.473  201.342   47.067  210.177   86.499  197.626   56.100  122.177   28.818  122.167   19.007 0.1024628E-01 34.52169 
1 1 1   12  -16   14 o  115.126   13.013  170.868   36.754  153.274   42.755  220.682   71.941  107.969   16.371  127.102   23.533 -19.13349 28.66702 
1 1 1   12  -16   15 f  205.450   16.605  550.039   84.461   0.0000   0.0000  550.039   84.461  ?   ?   205.450   16.605 0.000000 16.60468 
1 1 1   12  -16   16 o   61.843   17.663   51.461   28.632   51.461   28.632   0.0000   0.0000   61.843   17.663  ?   ?  0.000000 17.66278 
1 1 1   12  -16   17 o  126.730   12.393  207.962   38.719  244.558   48.457  143.333   64.394  136.702   14.412   99.438   25.734 37.26397 29.49499 
1 1 1   12  -16   18 f   86.528   16.413  101.596   34.167   87.137   36.211  218.895  103.140   79.217   18.620  116.613   33.590 -37.39639 38.40566 
1 1 1   12  -16   19 o  104.711   12.730  144.233   32.603  129.177   38.343  183.529   61.945   97.462   16.332  112.710   22.792 -15.24736 28.03961 
1 1 1   12  -16   20 o  146.409   11.013  278.398   39.969  262.558   48.506  311.903   70.544  140.507   14.011  149.335   19.373 -8.828125 23.90905 
1 1 1   12  -16   21 o  112.300   13.139  168.219   36.149  173.046   42.854  156.311   67.308  112.455   15.687   99.000   26.640 13.45481 30.91596 
1 1 1   12  -16   22 o   45.726   15.831   26.952   22.030   30.064   23.822   8.5668   57.899   47.877   16.469   52.358   22.995 -4.480236 28.28446 
1 1 1   12  -16   23 o   54.489   22.619   28.827   50.602 -66.3671   78.982   95.107   65.904   47.647   22.878   75.866   27.283 -28.21876 35.60589 
1 1 1   12  -16   24 o   51.981   22.407   19.114   52.849   40.059   84.610   5.7148   67.675   63.062   27.745   53.433   24.070 9.629078 36.73080 
1 1 1   12  -16   25 o   81.772   26.325  119.176   61.075  181.035   95.841   76.879   79.251   91.464   32.901   68.180   28.305 23.28458 43.40091 
1 1 1   12  -16   26 o   49.226   22.381   4.1869   60.151 -31.3950  108.811   19.845   72.182   55.154   26.576   54.702   24.730 0.4523697 36.30256 
1 1 1   12  -15    0 o  297.402   11.501  1112.73   85.411  1158.77  122.198  1068.76  119.428  301.939   16.267  289.845   16.569 12.09387 23.21931 
1 1 1   12  -15    1 o  562.951   18.233  4035.16  256.316  4195.47  363.495  3876.62  361.484  568.700   25.596  545.914   26.516 22.78662 36.85447 
1 1 1   12  -15    2 o  283.299   16.443  1022.03  115.829  961.396  166.488  1078.90  161.251  271.372   24.843  288.674   22.548 -17.30222 33.55000 
1 1 1   12  -15    3 o  181.770   11.494  417.633   51.904  437.426   98.287  409.978   61.122  183.205   21.919  179.622   13.731 3.583115 25.86440 
1 1 1   12  -15    4 o  202.184   9.6456  513.543   48.700  552.404   70.585  478.238   67.278  208.635   13.623  193.977   13.983 14.65779 19.52171 
1 1 1   12  -15    5 o  343.099   12.477  1485.44  106.898  1559.97  152.139  1412.76  150.232  349.861   17.414  332.182   18.180 17.67871 25.17414 
1 1 1   12  -15    6 o  368.434   13.158  1715.61  121.059  1666.77  171.896  1763.67  170.518  360.246   19.177  371.430   18.384 -11.18427 26.56572 
1 1 1   12  -15    7 o  336.813   12.328  1432.12  103.693  1412.30  147.618  1451.43  145.689  332.034   17.869  336.844   17.379 -4.809784 24.92684 
1 1 1   12  -15    8 o  335.349   12.409  1420.38  103.919  1550.87  147.830  1292.90  146.113  348.683   16.978  317.230   18.525 31.45236 25.12802 
1 1 1   12  -15    9 o  184.395   13.370  432.593   61.148  383.553   84.257  487.162   88.881  171.557   20.045  194.131   18.560 -22.57442 27.31860 
1 1 1   12  -15   10 o  230.996   10.473  672.152   60.410  704.577   85.855  640.357   85.017  235.067   14.700  223.862   15.300 11.20583 21.21712 
1 1 1   12  -15   11 o  252.765   11.016  805.930   69.531  948.579   98.688  665.318   97.981  272.831   14.537  227.327   17.392 45.50323 22.66742 
1 1 1   12  -15   12 o  224.301   10.664  634.546   59.733  662.971   83.999  605.467   84.961  227.744   14.851  217.280   15.766 10.46378 21.65906 
1 1 1   12  -15   13 f  144.260   10.263  263.719   36.732  239.905   49.306  293.421   55.064  136.484   14.698  151.063   14.786 -14.57898 20.84895 
1 1 1   12  -15   14 o   91.508   13.094  108.423   29.068  118.212   36.855   92.310   47.284   94.824   16.143   82.481   22.385 12.34322 27.59829 
1 1 1   12  -15   15 o  150.818   17.055  296.704   63.105  385.511   94.954  226.452   84.454  169.419   23.042  127.318   27.377 42.10101 35.78268 
1 1 1   12  -15   16 o  124.443   12.640  199.219   38.734  227.030   44.930  118.727   76.439  132.577   13.772   92.228   29.425 40.34902 32.48846 
1 1 1   12  -15   17 f  162.800   10.818  338.081   43.730  320.719   56.074  365.031   69.861  157.251   14.441  166.678   17.023 -9.427231 22.32342 
1 1 1   12  -15   18 o  101.772   12.527  134.644   31.164  142.933   37.174  115.040   57.168  104.160   14.700   89.786   24.716 14.37354 28.75746 
1 1 1   12  -15   19 o   89.216   13.654  105.188   29.452  100.714   34.409  117.451   56.964   86.200   16.587   90.010   24.629 -3.810493 29.69336 
1 1 1   12  -15   20 o   50.139   16.713   32.368   24.521   29.351   25.143   91.165  110.982   48.677   16.909   83.590   33.967 -34.91340 37.94301 
1 1 1   12  -15   21 o   78.494   14.583   83.585   27.533   75.004   31.219  113.619   58.409   73.217   17.342   86.484   25.384 -13.26662 30.74245 
1 1 1   12  -15   22 o  120.476   11.865  190.789   35.231  160.047   41.176  274.792   68.065  108.257   15.689  138.811   20.231 -30.55448 25.60111 
1 1 1   12  -15   23 o   66.543   16.037   62.406   26.336   68.545   29.066   34.252   62.244   69.421   16.920   59.699   24.960 9.722179 30.15429 
1 1 1   12  -15   24 o   50.049   21.688   11.452   50.040   17.812   78.912   7.1747   64.715   59.557   26.469   53.879   23.957 5.677811 35.70052 
1 1 1   12  -15   25 o   65.567   24.145   65.515   52.040   62.057   77.816   68.313   69.995   66.911   27.935   67.623   27.152 -0.7118607 38.95633 
1 1 1   12  -15   26 f   81.236   26.136  115.626   60.209  180.568   92.093   67.146   79.570   93.323   32.365   66.653   28.064 26.66966 42.83770 
1 1 1   12  -15   27 o   74.382   26.014  100.697   59.556  156.536   95.066   64.625   76.408   83.359   32.194   64.131   27.275 19.22805 42.19503 
1 1 1   12  -14    0 o   84.652   11.687   91.767   24.046   85.869   36.667   96.218   31.852   80.648   18.588   86.006   15.396 -5.357430 24.13574 
1 1 1   12  -14    1 o  270.902   11.162  922.464   75.509  896.911  107.885  947.002  105.720  265.633   16.343  273.198   15.561 -7.565155 22.56639 
1 1 1   12  -14    2 o  221.688   10.246  617.258   56.722  609.471   81.804  624.469   78.720  219.046   15.046  221.923   14.281 -2.876846 20.74434 
1 1 1   12  -14    3 o  218.494   10.319  599.802   56.303  564.750   81.127  632.372   78.202  210.641   15.533  223.321   14.095 -12.68060 20.97470 
1 1 1   12  -14    4 o  306.260   16.966  1195.13  129.244  1170.85  184.778  1218.39  180.843  299.684   24.917  306.287   23.832 -6.602478 34.47890 
1 1 1   12  -14    5 f  443.309   21.705  2527.07  240.279  2438.27  341.141  2614.49  338.487  427.094   32.223  443.621   30.744 -16.52701 44.53714 
1 1 1   12  -14    6 f  171.967   9.6838  372.673   41.416  382.492   60.265  363.884   57.013  173.359   14.041  169.161   13.612 4.198029 19.55626 
1 1 1   12  -14    7 o  302.976   11.552  1156.56   87.399  1187.18  124.496  1126.81  122.724  305.153   16.398  297.194   16.603 7.958862 23.33527 
1 1 1   12  -14    8 o  262.966   10.625  870.275   69.770  912.976  100.138  829.991   97.263  267.884   15.030  255.286   15.328 12.59761 21.46742 
1 1 1   12  -14    9 o  231.491   10.182  674.131   58.859  692.755   84.192  656.328   82.317  233.338   14.521  227.075   14.594 6.263107 20.58742 
1 1 1   12  -14   10 o  248.326   10.638  776.494   65.968  831.713   93.856  722.580   92.740  255.603   14.767  237.884   15.700 17.71899 21.55370 
1 1 1   12  -14   11 o  155.699   13.211  308.909   50.879  295.963   68.866  324.468   75.498  150.870   18.678  157.766   19.584 -6.895752 27.06344 
1 1 1   12  -14   12 o  374.702   13.452  1778.90  125.866  1890.66  178.312  1667.92  177.691  383.754   18.607  359.251   19.884 24.50269 27.23257 
1 1 1   12  -14   13 o  232.771   10.284  682.651   59.780  685.446   83.901  679.768   85.197  231.769   14.571  230.702   14.868 1.067459 20.81692 
1 1 1   12  -14   14 o  197.459   15.251  499.861   74.616   0.0000   0.0000  499.861   74.616  ?   ?   197.459   15.251 0.000000 15.25056 
1 1 1   12  -14   15 o   95.390   15.657  119.146   36.002  119.146   36.002   0.0000   0.0000   95.390   15.657  ?   ?  0.000000 15.65729 
1 1 1   12  -14   16 o   78.524   14.650   81.148   27.671  109.951   33.957   24.223   47.737   91.521   15.405   56.384   22.498 35.13693 27.26677 
1 1 1   12  -14   17 o  128.978   18.211  219.748   57.022  219.308   84.576  220.115   77.210  124.702   27.862  126.062   25.404 -1.359932 37.70479 
1 1 1   12  -14   18 o  197.506   10.689  496.260   52.522  485.717   68.946  510.839   81.073  193.965   14.336  197.876   16.559 -3.911423 21.90279 
1 1 1   12  -14   19 o   74.013   14.803   73.136   26.404   74.911   30.227   67.420   54.244   74.421   16.678   71.813   24.843 2.608047 29.92177 
1 1 1   12  -14   20 o   73.584   14.851   72.722   26.347   81.817   30.170   43.499   54.082   77.768   16.067   63.158   24.313 14.60968 29.14240 
1 1 1   12  -14   21 o  118.232   12.480  182.419   36.289  181.337   43.507  184.893   65.788  116.646   15.306  112.947   24.061 3.698311 28.51679 
1 1 1   12  -14   22 o  130.886   15.592  230.076   49.960  208.306   53.502  378.373  139.640  123.115   17.929  145.923   37.960 -22.80805 41.98099 
1 1 1   12  -14   23 o   70.415   15.446   68.559   26.414   57.843   29.534  111.396   59.047   63.985   17.823   84.859   25.673 -20.87360 31.25300 
1 1 1   12  -14   24 o   51.089   16.132   35.639   23.020   34.048   25.049   44.285   58.397   50.472   16.893   61.677   24.788 -11.20416 29.99643 
1 1 1   12  -14   25 o   95.038   14.386  123.544   33.073  147.163   38.161   52.256   66.298  103.344   15.245   64.501   26.236 38.84293 30.34397 
1 1 1   12  -14   26 o   51.530   21.713   21.737   47.687   19.008   74.784   23.606   61.905   58.190   25.819   55.975   24.189 2.214943 35.37967 
1 1 1   12  -14   27 o   44.023   20.132 -11.4069   49.564  -0.4845   79.236 -18.4276   63.526   54.984   25.258   47.857   22.208 7.126781 33.63240 
1 1 1   12  -14   28 o   99.022   25.023  168.771   61.901  322.555  100.098   73.542   78.769  128.328   31.475   66.611   27.978 61.71637 42.11230 
1 1 1   12  -13    0 o  290.961   11.152  1062.94   81.029  1136.28  116.032  993.136  113.204  299.653   15.560  279.913   16.265 19.74036 22.50936 
1 1 1   12  -13    1 o  237.805   10.441  709.756   62.001  689.623   88.966  728.767   86.452  233.221   15.362  239.972   14.495 -6.751160 21.12069 
1 1 1   12  -13    2 o  287.073   11.462  1035.77   82.172  1001.15  117.121  1069.34  115.317  280.702   16.785  290.372   15.965 -9.669586 23.16508 
1 1 1   12  -13    3 o  199.787   9.8803  500.956   49.293  545.459   71.519  460.684   68.034  207.503   13.882  190.512   14.407 16.99065 20.00700 
1 1 1   12  -13    4 o   84.742   11.602   91.980   23.907   95.947   36.455   88.987   31.668   85.403   17.676   82.487   15.951 2.916145 23.80899 
1 1 1   12  -13    5 o  322.958   11.958  1313.18   96.439  1364.88  137.429  1263.02  135.366  327.504   16.861  314.865   17.282 12.63913 24.14482 
1 1 1   12  -13    6 o  188.926   14.463  453.864   67.715  448.304   99.674  458.629   92.280  185.617   21.927  188.423   19.914 -2.805420 29.62029 
1 1 1   12  -13    7 o  237.811   15.243  719.325   90.047  682.635  129.454  753.718  125.337  229.003   22.946  241.510   20.991 -12.50679 31.09889 
1 1 1   12  -13    8 o  157.236   9.7150  311.770   37.959  327.230   54.913  297.622   52.530  160.305   13.854  152.812   13.918 7.492126 19.63785 
1 1 1   12  -13    9 o   97.818   10.906  121.893   26.186  155.334   38.494   93.090   35.725  109.873   14.374   83.961   17.602 25.91270 22.72540 
1 1 1   12  -13   10 o  135.036   9.8667  230.434   33.041  241.572   47.421  219.926   46.062  137.465   14.010  131.031   14.310 6.434036 20.02652 
1 1 1   12  -13   11 o  261.205   10.870  859.209   70.903  918.759  100.738  800.750   99.812  268.650   15.077  250.426   16.045 18.22375 22.01744 
1 1 1   12  -13   12 o  133.506   10.255  225.602   33.928  245.870   47.792  205.010   48.172  138.633   13.997  126.071   15.637 12.56163 20.98631 
1 1 1   12  -13   13 o  199.949   13.671  508.775   67.851  479.140   92.072  543.996  100.376  192.158   19.456  204.696   19.888 -12.53758 27.82167 
1 1 1   12  -13   14 o  214.575   10.505  580.134   56.290  558.151   78.870  602.957   80.363  208.913   15.223  217.282   14.901 -8.368805 21.30196 
1 1 1   12  -13   15 o   95.767   12.631  118.026   29.470  144.208   37.601   76.332   47.451  105.532   14.664   75.985   23.020 29.54669 27.29417 
1 1 1   12  -13   16 o  271.328   11.656  930.927   78.978  989.028  110.183  869.529  113.266  277.720   15.955  259.614   17.575 18.10583 23.73635 
1 1 1   12  -13   17 o  107.718   11.901  148.694   31.477  174.626   39.548  103.874   51.993  116.336   13.888   87.246   23.387 29.08997 27.20000 
1 1 1   12  -13   18 o  157.072   10.941  313.774   42.646  330.169   54.921  288.878   67.678  160.279   13.858  148.100   18.717 12.17935 23.28922 
1 1 1   12  -13   19 o  112.481   20.092  170.708   54.364  160.486   79.130  179.845   74.816  105.664   29.075  112.636   26.958 -6.972389 39.65008 
1 1 1   12  -13   20 f  111.637   12.197  160.980   33.450  176.980   40.517  126.736   59.277  116.442   14.230   94.557   24.798 21.88519 28.59062 
1 1 1   12  -13   21 o  101.514   13.051  134.640   32.318  164.807   38.521   62.936   59.388  112.089   14.072   70.711   25.830 41.37775 29.41453 
1 1 1   12  -13   22 o  121.269   12.317  191.370   36.783  227.762   44.388  111.615   65.711  131.801   13.686   86.837   27.232 44.96405 30.47746 
1 1 1   12  -13   23 o  176.089   16.337  416.052   71.021  414.510   80.106  421.717  153.535  173.900   18.743  152.788   39.832 21.11261 44.02149 
1 1 1   12  -13   24 o   93.536   13.347  116.803   30.290  123.586   35.047   96.779   60.219   95.376   15.227   79.683   26.174 15.69325 30.28089 
1 1 1   12  -13   25 o   80.285   14.686   88.304   28.359   86.413   32.479   94.369   58.178   78.266   17.097   77.984   25.732 0.2822037 30.89358 
1 1 1   12  -13   26 o   52.761   15.769   38.728   22.376   27.001   24.298  104.187   57.407   46.392   16.579   80.800   25.471 -34.40790 30.39089 
1 1 1   12  -13   27 f   67.953   23.848   70.895   50.075   87.739   78.590   59.382   64.972   73.765   29.045   65.464   26.203 8.300919 39.11808 
1 1 1   12  -13   28 o  170.964   18.928  427.593   79.455  531.142  120.244  347.339  105.858  176.317   28.265  137.086   31.574 39.23116 42.37717 
1 1 1   12  -13   29 o   49.247   21.738   11.944   52.344  140.698   86.931 -61.2889   65.561   82.387   31.035   42.311   20.447 40.07568 37.16584 
1 1 1   12  -12    0 o  356.712   18.076  1612.75  160.489  1618.82  227.147  1606.71  226.785  354.666   25.824  353.307   25.885 1.358978 36.56397 
1 1 1   12  -12    1 o  309.216   11.375  1200.18   87.835  1233.12  125.519  1168.57  122.956  312.188   16.156  303.859   16.263 8.329590 22.92382 
1 1 1   12  -12    2 o  134.641   9.7338  228.457   32.507  208.389   47.879  245.618   44.275  127.648   15.327  139.168   12.886 -11.52055 20.02431 
1 1 1   12  -12    3 o  293.583   11.438  1082.76   83.855  1099.48  119.640  1066.61  117.565  294.476   16.334  290.037   16.298 4.438995 23.07413 
1 1 1   12  -12    4 o  436.748   14.912  2408.08  162.635  2387.50  230.639  2428.43  229.369  432.391   21.360  436.219   21.056 -3.827759 29.99371 
1 1 1   12  -12    5 o  310.145   11.805  1209.88   91.425  1212.53  130.383  1207.32  128.234  308.836   16.971  308.250   16.722 0.5857849 23.82496 
1 1 1   12  -12    6 o  210.118   9.9253  554.284   52.078  567.670   74.891  541.749   72.468  211.563   14.259  206.684   14.125 4.878326 20.07088 
1 1 1   12  -12    7 o   76.751   11.623   75.765   21.579   85.624   32.531   68.018   28.836   80.720   16.690   71.846   16.430 8.874611 23.41975 
1 1 1   12  -12    8 o  259.539   15.476  856.261   99.846  909.517  143.771  806.646  138.769  265.210   21.905  249.416   22.523 15.79379 31.41826 
1 1 1   12  -12    9 o  421.974   20.740  2284.15  218.551  2315.57  310.665  2253.35  307.515  417.975   29.963  412.202   30.083 5.772644 42.45855 
1 1 1   12  -12   10 o  295.841   11.314  1102.04   83.582  1093.48  118.814  1110.42  117.599  292.940   16.307  295.315   16.006 -2.375336 22.84974 
1 1 1   12  -12   11 o  313.389   11.698  1237.76   91.544  1263.84  130.091  1212.17  128.844  314.782   16.608  308.185   16.805 6.596832 23.62748 
1 1 1   12  -12   12 o   86.667   11.726   96.364   24.727   77.807   34.348  116.326   35.625   76.556   18.229   94.522   15.640 -17.96626 24.01866 
1 1 1   12  -12   13 f  133.038   14.523  226.926   47.464   0.0000   0.0000  226.926   47.464  ?   ?   133.038   14.523 0.000000 14.52283 
1 1 1   12  -12   14 o  228.468   15.065  665.727   85.470  665.727   85.470   0.0000   0.0000  228.468   15.065  ?   ?  0.000000 15.06540 
1 1 1   12  -12   15 o  104.273   14.502  140.540   36.740  141.490   45.504  138.762   62.269  103.669   18.243  101.034   24.852 2.635216 30.82929 
1 1 1   12  -12   16 o  147.708   10.424  276.244   38.204  292.654   51.473  256.114   57.008  151.294   13.775  140.706   16.540 10.58794 21.52503 
1 1 1   12  -12   17 o  173.588   10.464  381.298   45.146  379.354   60.854  383.679   67.328  172.164   14.284  172.688   15.787 -0.5241852 21.28999 
1 1 1   12  -12   18 o  369.177   13.340  1731.77  122.985  1800.61  172.132  1659.99  175.780  373.493   18.456  357.268   19.780 16.22476 27.05267 
1 1 1   12  -12   19 o  101.168   12.121  131.640   30.012  121.254   36.139  154.721   53.876   96.123   15.589  107.119   20.891 -10.99586 26.06653 
1 1 1   12  -12   20 o  233.070   16.011  703.596   92.621  736.294  132.254  672.122  129.754  234.158   22.911  223.139   23.646 11.01869 32.92527 
1 1 1   12  -12   21 o  193.811   11.223  479.416   54.085  504.841   64.844  421.292   98.043  198.094   13.184  175.764   22.880 22.33063 26.40633 
1 1 1   12  -12   22 o  234.007   11.268  699.109   65.843  743.458   87.124  640.047  100.543  239.102   14.662  219.187   18.543 19.91563 23.63961 
1 1 1   12  -12   23 o  184.417   11.616  438.169   53.221  483.134   68.518  369.776   84.503  192.132   14.385  163.633   21.177 28.49934 25.60069 
1 1 1   12  -12   24 o  112.673   12.216  165.997   33.822  172.512   40.523  151.038   61.404  113.831   14.592  101.010   24.577 12.82060 28.58248 
1 1 1   12  -12   25 o  178.073   17.170  431.800   75.406  449.467   84.186  360.106  169.587  180.062   19.010  130.418   43.953 49.64372 47.88804 
1 1 1   12  -12   26 o   37.045   14.549   12.152   19.671   16.950   21.256 -16.4717   51.918   40.299   15.307   45.574   20.749 -5.274979 25.78401 
1 1 1   12  -12   27 o  124.823   12.678  207.286   38.969  213.208   45.958  192.132   73.512  125.120   15.008  108.903   27.131 16.21682 31.00568 
1 1 1   12  -12   28 o  169.884   12.087  382.712   50.942  415.555   61.578  311.496   90.678  175.147   14.201  138.076   27.266 37.07129 30.74285 
1 1 1   12  -12   29 o   60.865   23.618   52.174   51.349   45.563   80.022   56.802   66.951   63.465   27.463   64.100   26.252 -0.6350784 37.99235 
1 1 1   12  -12   30 o   42.454   19.716 -19.4650   50.220   16.587   79.956 -42.9542   64.539   56.969   25.864   44.281   21.103 12.68802 33.38073 
1 1 1   12  -11    0 o  112.593   9.9850  160.043   27.783  187.674   41.085  136.760   37.714  121.456   13.791  103.212   15.077 18.24352 20.43299 
1 1 1   12  -11    1 o  348.488   17.775  1536.97  154.167  1518.29  218.199  1555.59  217.852  343.903   25.591  348.259   25.221 -4.355133 35.93040 
1 1 1   12  -11    2 o  423.024   20.282  2268.89  214.255  2386.99  303.462  2151.51  302.546  429.900   28.428  407.307   29.955 22.59296 41.29742 
1 1 1   12  -11    3 o  224.988   10.200  634.688   57.307  632.826   82.326  636.440   79.822  223.660   14.824  224.398   14.319 -0.7383881 20.61050 
1 1 1   12  -11    4 o  324.553   12.200  1323.71   98.877  1284.87  140.556  1361.77  139.122  318.137   17.763  327.754   17.057 -9.617004 24.62666 
1 1 1   12  -11    5 o  114.421   9.8143  165.398   27.771  167.929   41.236  163.296   37.568  114.471   14.770  113.085   13.575 1.386124 20.06074 
1 1 1   12  -11    6 o  218.921   9.9946  601.402   54.639  594.330   78.394  608.083   76.195  216.548   14.582  219.177   13.994 -2.629471 20.21073 
1 1 1   12  -11    7 o  217.132   10.159  591.908   55.084  577.053   79.091  605.901   76.762  213.206   14.950  218.683   14.132 -5.476913 20.57210 
1 1 1   12  -11    8 o   54.571   13.913   39.023   19.017   62.722   29.178   21.520   25.075   68.970   17.040   45.806   16.776 23.16439 23.91262 
1 1 1   12  -11    9 o  149.837   9.5461  282.954   35.533  256.087   51.574  307.230   49.024  141.559   14.809  155.616   12.727 -14.05751 19.52635 
1 1 1   12  -11   10 o  111.998   16.046  162.167   43.595  173.974   66.635  153.332   57.642  114.008   24.156  107.340   22.236 6.667465 32.83219 
1 1 1   12  -11   11 o  114.395   12.204  166.769   34.325  155.177   42.213  189.392   58.971  109.515   15.900  120.030   20.405 -10.51540 25.86846 
1 1 1   12  -11   12 o  279.313   11.049  982.019   77.064  928.055  109.433  1035.11  108.543  269.782   16.321  285.325   15.289 -15.54245 22.36354 
1 1 1   12  -11   13 o  209.087   10.050  549.646   52.473  512.567   74.512  586.125   73.907  200.535   14.988  214.821   13.851 -14.28679 20.40790 
1 1 1   12  -11   14 o  407.125   13.895  2097.99  141.270  2066.83  199.620  2129.25  199.952  401.230   19.923  407.393   19.654 -6.163391 27.98634 
1 1 1   12  -11   15 o  201.192   9.9113  509.085   49.796  503.264   69.775  515.127   71.087  198.816   14.146  201.129   14.246 -2.312775 20.07614 
1 1 1   12  -11   16 o  107.232   14.672  148.530   38.258  172.269   47.394  104.128   64.818  115.021   17.014   88.344   26.937 26.67651 31.85992 
1 1 1   12  -11   17 o  284.302   15.700  1032.54  111.034  974.617  151.810  1099.17  162.818  272.983   22.469  289.880   22.673 -16.89731 31.92064 
1 1 1   12  -11   18 o  577.525   18.804  4293.62  271.191  4483.51  382.851  4102.39  384.197  581.786   26.352  554.802   27.731 26.98346 38.25499 
1 1 1   12  -11   19 f  234.386   10.259  692.868   60.045  671.305   80.910  719.301   89.583  229.249   14.203  236.942   15.221 -7.693237 20.81836 
1 1 1   12  -11   20 o   63.733   15.192   53.995   23.837   49.130   27.863   67.275   46.035   60.953   17.429   71.676   22.832 -10.72337 28.72380 
1 1 1   12  -11   21 o  110.295   12.196  156.477   33.029  165.521   40.915  139.557   55.964  112.693   14.905  100.718   22.784 11.97440 27.22612 
1 1 1   12  -11   22 o  196.335   15.580  501.148   75.756  592.850  110.680  420.319  103.911  210.114   21.393  174.733   24.487 35.38150 32.51530 
1 1 1   12  -11   23 o   53.301   15.561   37.756   22.003   34.854   24.571   49.504   49.433   51.972   16.693   64.331   23.556 -12.35939 28.87113 
1 1 1   12  -11   24 o  111.095   12.224  160.501   33.352  163.754   40.107  153.208   60.052  111.227   14.808  103.269   23.778 7.958160 28.01192 
1 1 1   12  -11   25 f  201.940   11.857  527.908   59.529  609.061   76.814  405.875   94.194  215.194   14.377  169.051   22.903 46.14366 27.04117 
1 1 1   12  -11   26 o   77.853   14.992   82.614   28.089   93.476   31.831   44.385   59.716   82.482   16.031   63.214   25.182 19.26836 29.85173 
1 1 1   12  -11   27 o  194.332   13.628  500.750   65.718  480.928   69.242  680.771  208.667  189.495   14.749  177.876   46.467 11.61897 48.75166 
1 1 1   12  -11   28 o   48.869   15.884   32.118   22.199   27.974   24.106   55.244   56.948   46.959   16.542   64.476   24.913 -17.51739 29.90450 
1 1 1   12  -11   29 o   63.661   17.049   58.254   27.645   78.378   30.699 -28.0683   63.580   73.977   16.977   47.486   22.097 26.49088 27.86564 
1 1 1   12  -11   30 o  120.515   21.124  219.708   61.254  313.082   97.651  159.134   78.651  132.839   30.130   92.921   29.869 39.91795 42.42641 
1 1 1   12  -11   31 o   81.168   25.778  115.374   58.718   79.414   89.307  142.755   77.931   69.325   29.486   85.617   29.768 -16.29193 41.89940 
1 1 1   12  -10    0 o  580.857   18.307  4252.31  265.546  4347.94  375.985  4157.14  375.094  584.693   25.751  571.502   26.283 13.19147 36.79531 
1 1 1   12  -10    1 o  345.684   12.335  1498.81  106.478  1556.42  151.390  1442.41  149.788  351.507   17.247  337.833   17.818 13.67429 24.79804 
1 1 1   12  -10    2 o  545.008   17.577  3745.35  239.220  3733.15  338.702  3757.49  337.915  541.397   25.052  543.220   24.910 -1.822571 35.32927 
1 1 1   12  -10    3 o  407.686   13.612  2088.52  138.577  2151.04  196.496  2026.67  195.463  412.481   19.077  400.253   19.556 12.22852 27.31944 
1 1 1   12  -10    4 o  304.205   16.253  1170.10  123.020  1174.04  174.436  1166.19  173.520  302.759   23.250  301.753   23.205 1.005646 32.84878 
1 1 1   12  -10    5 o  520.139   17.217  3418.66  223.627  3390.96  316.690  3446.21  315.824  514.831   24.633  519.145   24.362 -4.314514 34.64497 
1 1 1   12  -10    6 o  116.949   9.8035  172.684   28.366  183.759   42.096  163.471   38.392  119.943   14.339  113.117   13.883 6.825645 19.95801 
1 1 1   12  -10    7 o  273.891   11.082  942.127   75.795  904.843  108.110  978.169  106.293  267.039   16.290  277.924   15.375 -10.88477 22.40004 
1 1 1   12  -10    8 o  375.090   13.314  1772.59  124.711  1731.69  176.891  1813.01  175.848  368.447   19.293  377.716   18.643 -9.268707 26.82870 
1 1 1   12  -10    9 o   79.555   11.481   81.196   22.148  104.613   32.996   61.994   29.880   89.765   15.267   68.593   17.413 21.17220 23.15790 
1 1 1   12  -10   10 f  332.239   12.201  1389.97  101.230  1351.38  143.660  1428.02  142.666  325.613   17.735  334.977   17.112 -9.363922 24.64441 
1 1 1   12  -10   11 o  238.300   10.322  713.561   61.422  672.296   87.798  753.113   85.957  229.927   15.380  243.732   14.184 -13.80484 20.92208 
1 1 1   12  -10   12 o  307.437   24.238  1230.07  184.571   0.0000   0.0000  1230.07  184.571  ?   ?   307.437   24.238 0.000000 24.23778 
1 1 1   12  -10   13 o  228.484   14.509  663.274   82.353  663.274   82.353   0.0000   0.0000  228.484   14.509  ?   ?  0.000000 14.50879 
1 1 1   12  -10   14 o  230.184   10.235  666.217   58.831  648.114   83.375  684.169   83.026  225.693   14.877  232.046   14.399 -6.352966 20.70407 
1 1 1   12  -10   15 o  150.842   9.5438  287.009   35.764  264.528   49.843  310.866   51.346  143.917   14.048  156.292   13.282 -12.37573 19.33270 
1 1 1   12  -10   16 o  402.261   13.766  2048.03  138.287  2097.33  195.340  1998.51  195.794  404.424   19.342  393.986   19.966 10.43863 27.79848 
1 1 1   12  -10   17 o  217.897   9.8066  597.130   53.360  546.363   73.591  653.411   77.485  207.114   14.317  226.747   13.749 -19.63284 19.84962 
1 1 1   12  -10   18 o  161.555   13.637  332.959   54.504  318.756   69.282  356.024   88.288  156.810   18.020  164.408   22.061 -7.597260 28.48534 
1 1 1   12  -10   19 o  276.786   10.858  966.172   75.049  944.151  103.934  990.164  108.481  271.851   15.373  278.291   15.674 -6.440460 21.95453 
1 1 1   12  -10   20 o  190.407   9.9051  458.020   46.934  439.135   62.052  483.268   71.749  185.503   13.488  194.195   14.909 -8.691727 20.10476 
1 1 1   12  -10   21 o  152.844   10.645  296.534   40.377  301.733   52.081  288.701   63.926  153.362   13.745  148.747   17.548 4.614746 22.29016 
1 1 1   12  -10   22 o   83.724   12.676   91.111   25.672   71.242   30.056  144.719   49.368   72.905   16.847  103.701   19.786 -30.79591 25.98673 
1 1 1   12  -10   23 o  263.542   11.069  882.399   72.846  871.940   97.790  895.440  109.188  259.635   15.149  262.108   16.770 -2.472321 22.59883 
1 1 1   12  -10   24 o  212.877   15.690  592.076   82.819  651.625  121.059  539.686  113.549  218.437   22.516  197.952   23.425 20.48560 32.49157 
1 1 1   12  -10   25 o  122.602   11.839  194.547   35.796  218.169   43.526  145.183   62.921  129.147   13.706   99.863   25.224 29.28425 28.70702 
1 1 1   12  -10   26 o   87.924   13.948  103.036   29.602  117.005   34.450   63.623   57.867   93.244   15.328   69.536   25.482 23.70782 29.73728 
1 1 1   12  -10   27 o  173.471   11.926  391.804   51.347  432.962   64.165  318.516   85.622  180.784   14.331  147.510   24.075 33.27333 28.01710 
1 1 1   12  -10   28 o   48.693   16.676   30.593   24.416   25.014   24.620  362.146  189.803   45.833   16.648  123.321   45.975 -77.48747 48.89666 
1 1 1   12  -10   29 o   59.617   16.315   49.999   24.994   52.522   27.503   38.032   59.896   60.874   17.285   60.357   24.788 0.5171890 30.21939 
1 1 1   12  -10   30 o  167.288   12.499  371.820   51.839  392.588   62.300  325.077   93.464  169.874   14.835  141.508   27.440 28.36644 31.19308 
1 1 1   12  -10   31 o   76.306   16.351   83.416   30.219   81.338   33.550   92.348   69.558   74.248   18.229   74.152   27.795 0.9513855E-01 33.23960 
1 1 1   12  -10   32 o   94.744   25.260  152.858   60.856  175.487   94.161  136.625   79.750   91.114   32.628   83.691   30.022 7.422798 44.33861 
1 1 1   12   -9    0 o  197.612   9.7543  488.700   48.135  453.448   68.942  522.229   67.236  189.518   14.682  203.651   13.294 -14.13318 19.80633 
1 1 1   12   -9    1 o  605.546   19.111  4621.24  288.983  4807.94  409.256  4435.57  408.115  614.972   26.650  590.259   27.688 24.71259 38.42932 
1 1 1   12   -9    2 o  193.835   9.5241  470.286   46.101  502.089   66.381  440.656   64.073  199.598   13.396  186.870   13.829 12.72797 19.25294 
1 1 1   12   -9    3 o  501.923   16.311  3170.17  204.443  3208.41  289.680  3132.21  288.574  502.993   23.062  496.919   23.255 6.073608 32.75189 
1 1 1   12   -9    4 o  143.120   9.4887  257.604   33.720  260.118   49.422  255.415   46.123  143.219   13.998  142.036   13.153 1.182297 19.20778 
1 1 1   12   -9    5 o  246.295   10.388  760.255   63.888  779.621   91.610  741.918   89.143  248.497   14.830  242.398   14.798 6.098465 20.95023 
1 1 1   12   -9    6 o  283.842   15.589  1018.23  110.071  1008.82  156.078  1027.54  155.252  280.718   22.453  283.434   22.110 -2.716339 31.51145 
1 1 1   12   -9    7 o  226.309   13.947  647.039   78.437  645.443  111.625  648.597  110.240  224.624   20.113  225.260   19.799 -0.6355133 28.22271 
1 1 1   12   -9    8 o  223.340   10.098  625.693   56.321  628.166   80.777  623.352   78.568  222.760   14.602  221.972   14.249 0.7872162 20.40246 
1 1 1   12   -9    9 o  224.262   10.092  631.101   56.516  583.899   80.889  676.120   78.997  214.518   15.198  231.236   13.742 -16.71767 20.49010 
1 1 1   12   -9   10 o  144.371   9.4870  262.585   34.012  272.350   49.487  253.843   46.824  146.349   13.700  141.296   13.432 5.052246 19.18651 
1 1 1   12   -9   11 o  470.621   15.774  2803.69  185.376  2695.86  262.474  2911.00  261.849  457.425   23.052  476.476   22.007 -19.05115 31.87023 
1 1 1   12   -9   12 o   87.165   11.494   97.211   24.409   95.654   35.938   98.544   33.256   85.277   17.464   86.892   15.913 -1.614693 23.62620 
1 1 1   12   -9   13 o   91.336   10.813  106.336   24.184   70.716   34.205  141.938   34.197   73.104   18.671  105.246   13.309 -32.14163 22.92871 
1 1 1   12   -9   14 o  135.880   15.227  236.700   50.780  195.443   74.893  271.807   69.085  120.522   25.671  144.563   19.646 -24.04106 32.32560 
1 1 1   12   -9   15 o   37.693   14.149   13.385   18.037  -0.9497   23.184   35.367   28.710   34.814   14.921   54.107   18.085 -19.29347 23.44576 
1 1 1   12   -9   16 o  130.017   9.7981  213.620   31.578  228.158   43.720  197.764   45.660  133.750   13.265  124.039   15.049 9.711578 20.06070 
1 1 1   12   -9   17 o  228.867   10.494  659.092   59.977  685.931   84.080  631.286   85.581  232.217   14.573  222.467   15.502 9.750275 21.27641 
1 1 1   12   -9   18 o  229.096   9.8356  660.007   56.269  575.198   77.847  752.792   81.425  212.442   14.766  243.567   13.439 -31.12520 19.96608 
1 1 1   12   -9   19 o  317.993   11.354  1275.27   90.162  1177.08  126.099  1377.97  128.966  303.320   16.712  329.061   15.694 -25.74030 22.92645 
1 1 1   12   -9   20 o  212.070   13.160  571.729   69.350  440.481   87.730  790.362  113.229  184.048   19.380  247.480   18.455 -63.43210 26.76074 
1 1 1   12   -9   21 o   78.690   13.622   80.761   25.798   89.037   30.917   61.791   46.810   82.249   15.624   69.848   23.083 12.40165 27.87367 
1 1 1   12   -9   22 o  209.842   10.139  555.615   53.128  509.827   70.596  615.416   80.679  199.515   14.264  219.076   14.835 -19.56081 20.57968 
1 1 1   12   -9   23 o  155.063   10.055  305.070   38.726  274.843   48.868  356.099   63.494  146.189   13.540  165.850   15.511 -19.66109 20.58929 
1 1 1   12   -9   24 o  161.251   11.782  332.653   47.113  372.112   56.277  240.215   86.136  170.024   13.362  130.079   27.383 39.94510 30.46960 
1 1 1   12   -9   25 o   85.864   21.361  102.634   45.613  230.306   70.241   9.5354   59.981  128.984   22.633   56.418   24.085 72.56529 33.05028 
1 1 1   12   -9   26 o   49.206   15.529   31.528   21.335   42.933   23.593 -19.6503   49.978   56.425   16.005   45.285   20.516 11.13926 26.02035 
1 1 1   12   -9   27 o  187.399   11.284  452.912   52.561  464.765   66.359  432.956   86.104  188.102   14.232  177.556   19.754 10.54565 24.34752 
1 1 1   12   -9   28 o  105.651   12.674  147.120   32.771  164.510   38.416  100.644   62.802  111.098   14.170   81.611   26.726 29.48756 30.24949 
1 1 1   12   -9   29 o  122.694   11.949  197.589   36.145  190.597   42.423  216.109   69.042  119.110   14.566  120.437   23.800 -1.326958 27.90357 
1 1 1   12   -9   30 o   76.269   18.439   83.593   34.732   82.853   35.110  117.379  237.271   75.819   18.668   88.969   41.815 -13.15001 45.79301 
1 1 1   12   -9   31 o  228.365   12.186  689.017   69.239  689.694   85.283  687.708  118.596  225.007   15.268  214.739   22.448 10.26843 27.14828 
1 1 1   12   -9   32 o  119.019   13.579  192.645   39.635  203.645   45.745  159.519   79.384  120.965   15.500   93.294   30.010 27.67136 33.77645 
1 1 1   12   -9   33 o   80.497   26.094  113.542   59.931   58.654   99.098  145.193   75.252   66.776   29.670   87.421   29.280 -20.64511 41.68476 
1 1 1   12   -8    0 o  269.713   10.852  910.533   73.087  881.561  103.890  938.923  102.840  264.557   15.798  273.153   15.136 -8.595886 21.87824 
1 1 1   12   -8    1 o  283.027   10.842  1002.78   76.627  1025.07  109.119  981.089  107.631  285.374   15.369  279.146   15.501 6.227600 21.82855 
1 1 1   12   -8    2 o  302.606   11.466  1146.89   86.642  1117.18  123.010  1176.14  122.057  297.700   16.613  305.573   16.052 -7.873505 23.10078 
1 1 1   12   -8    3 o  168.885   9.4027  358.026   39.498  394.317   57.146  324.831   54.653  176.856   13.031  160.325   13.785 16.53110 18.96956 
1 1 1   12   -8    4 o  153.785   9.2935  297.064   35.522  329.615   51.493  267.508   49.067  161.606   12.866  145.367   13.678 16.23923 18.77817 
1 1 1   12   -8    5 o  165.816   9.4369  345.321   38.914  356.586   56.704  335.293   53.502  167.985   13.635  162.912   13.266 5.072525 19.02397 
1 1 1   12   -8    6 o  165.582   9.3755  344.403   38.607  350.796   56.225  338.700   53.107  166.564   13.637  163.727   13.099 2.836853 18.90884 
1 1 1   12   -8    7 o  343.001   12.530  1477.27  107.328  1446.64  152.420  1507.39  151.156  337.922   18.129  345.105   17.598 -7.182922 25.26544 
1 1 1   12   -8    8 o  268.916   15.121  913.907  101.128  891.328  143.465  936.205  142.572  263.809   21.977  270.621   21.268 -6.811676 30.58343 
1 1 1   12   -8    9 o  141.896   12.592  255.081   44.157  255.548   63.904  254.654   61.086  140.837   18.627  140.781   17.772 0.5592346E-01 25.74504 
1 1 1   12   -8   10 o  237.231   10.257  706.189   60.761  707.215   86.884  705.206   85.005  236.323   14.797  236.053   14.491 0.2695465 20.71087 
1 1 1   12   -8   11 o  297.024   16.336  1119.77  120.703   0.0000   0.0000  1119.77  120.703  ?   ?   297.024   16.336 0.000000 16.33610 
1 1 1   12   -8   12 o  171.908   13.833  375.141   58.882  375.141   58.882   0.0000   0.0000  171.908   13.833  ?   ?  0.000000 13.83350 
1 1 1   12   -8   13 o  198.717   9.8303  495.762   48.781  488.815   69.958  502.336   68.055  196.202   14.379  199.047   13.776 -2.844177 19.91308 
1 1 1   12   -8   14 f  215.939   9.9270  585.635   53.530  528.872   75.673  642.491   75.734  203.927   14.964  225.225   13.528 -21.29755 20.17289 
1 1 1   12   -8   15 o  195.463   9.6562  479.793   47.133  454.424   66.703  505.091   66.609  189.075   14.232  199.577   13.443 -10.50127 19.57713 
1 1 1   12   -8   16 f   89.652   17.939  105.884   38.760  111.514   59.490  101.732   51.093   91.217   25.255   87.226   23.093 3.991302 34.22149 
1 1 1   12   -8   17 o  229.266   10.015  660.665   57.339  596.239   80.530  726.910   81.660  216.421   14.993  239.417   13.716 -22.99605 20.32026 
1 1 1   12   -8   18 o  423.025   14.738  2267.84  155.688  2269.33  219.723  2266.34  220.633  420.012   20.949  419.140   21.148 0.8717346 29.76723 
1 1 1   12   -8   19 o  164.709   9.3788  341.969   38.416  268.194   51.863  431.655   57.183  144.763   14.543  184.488   12.486 -39.72516 19.16771 
1 1 1   12   -8   20 o  108.092   10.510  148.466   28.011  140.531   35.765  161.055   45.047  104.405   14.077  111.235   16.736 -6.829384 21.86878 
1 1 1   12   -8   21 o  156.087   10.096  307.976   39.142  277.030   51.174  351.607   60.764  147.122   14.102  165.698   14.842 -18.57567 20.47332 
1 1 1   12   -8   22 o  102.392   15.519  136.535   38.437  141.238   43.144  118.442   84.623  103.701   17.268   94.245   31.031 9.455688 35.51165 
1 1 1   12   -8   23 o  326.512   11.240  1348.19   91.646  1280.04  125.841  1425.16  133.733  315.729   16.013  333.513   16.057 -17.78357 22.67740 
1 1 1   12   -8   24 o   55.655   15.113   41.033   21.547   47.683   24.359   17.123   46.192   59.853   15.993   53.437   21.836 6.416058 27.06647 
1 1 1   12   -8   25 o   95.351   12.519  117.842   29.089  106.034   34.202  148.719   55.306   89.382   15.906  103.987   21.986 -14.60532 27.13620 
1 1 1   12   -8   26 o  127.132   11.182  207.458   35.140  221.884   42.880  177.959   61.317  130.787   13.315  113.141   22.495 17.64625 26.14007 
1 1 1   12   -8   27 o  140.425   16.676  262.603   57.335  284.451   85.370  244.651   77.385  141.019   25.166  130.948   24.567 10.07065 35.16912 
1 1 1   12   -8   28 o  138.534   11.088  247.842   38.036  229.369   45.674  289.638   68.703  131.911   14.083  145.173   19.439 -13.26244 24.00475 
1 1 1   12   -8   29 o   73.086   14.731   72.676   25.957   80.185   29.303   45.309   55.940   76.414   15.875   62.830   24.575 13.58467 29.25671 
1 1 1   12   -8   30 o   41.615   14.985   20.313   19.887   21.685   21.465   12.000   52.840   42.996   15.556   52.369   22.487 -9.372650 27.34319 
1 1 1   12   -8   31 o  194.778   18.299  528.879   87.962  507.998   92.673  718.767  279.462  189.089   19.926  148.844   55.729 40.24564 59.18392 
1 1 1   12   -8   32 o   44.093   16.031   23.566   22.836   24.684   24.503   16.174   62.997   45.216   16.580   55.453   24.180 -10.23697 29.31805 
1 1 1   12   -8   33 o   90.547   15.642  115.222   34.090  105.206   38.317  153.246   74.656   84.504   18.657   92.598   29.024 -8.093323 34.50324 
1 1 1   12   -8   34 f  140.687   13.989  272.717   48.495  293.371   56.913  217.973   92.657  143.819   16.124  103.843   32.299 39.97575 36.10053 
1 1 1   12   -7    0 o  468.273   21.623  2761.53  252.849  3001.26  359.477  2526.78  355.717  485.447   29.798  444.504   32.266 40.94296 43.92056 
1 1 1   12   -7    1 o  124.427   14.333  196.621   43.722  159.286   65.436  226.732   58.766  110.195   24.422  133.126   18.150 -22.93016 30.42760 
1 1 1   12   -7    2 o  384.698   13.193  1854.44  126.735  1930.20  179.876  1779.76  178.592  391.819   18.384  375.664   19.101 16.15552 26.51035 
1 1 1   12   -7    3 o  500.459   15.923  3144.67  198.990  3241.10  281.856  3048.84  280.973  506.730   22.274  491.319   22.901 15.41080 31.94657 
1 1 1   12   -7    4 o  486.281   15.699  2969.79  190.643  3118.56  270.253  2822.44  268.971  496.979   21.776  472.544   22.794 24.43457 31.52378 
1 1 1   12   -7    5 o  228.402   9.9259  653.016   56.614  687.569   81.017  620.042   79.144  233.669   13.948  221.797   14.367 11.87196 20.02352 
1 1 1   12   -7    6 f   77.114   11.746   76.224   21.905   77.697   33.423   75.114   29.003   77.027   17.742   75.905   15.814 1.122040 23.76673 
1 1 1   12   -7    7 o  198.214   9.6807  491.979   47.917  480.213   68.934  502.979   66.653  194.989   14.256  199.705   13.444 -4.716309 19.59500 
1 1 1   12   -7    8 o  296.795   11.347  1104.71   84.097  1110.37  119.726  1099.19  118.151  296.441   16.235  294.969   16.101 1.472443 22.86529 
1 1 1   12   -7    9 o  129.452   9.3746  211.025   30.100  218.582   44.298  204.544   41.025  131.142   13.730  126.911   13.135 4.230972 19.00124 
1 1 1   12   -7   10 o   60.246   15.901   47.438   24.272   43.118   37.446   50.567   31.874   60.567   20.653   62.834   18.829 -2.266495 27.94764 
1 1 1   12   -7   11 o  257.105   14.811  836.352   94.691  836.206  134.099  836.496  133.727  255.335   21.224  255.399   21.158 -0.6436157E-01 29.96853 
1 1 1   12   -7   12 o  103.641   9.9367  135.995   25.402  122.751   36.967  147.843   34.965   97.363   15.741  107.548   13.303 -10.18476 20.60959 
1 1 1   12   -7   13 o  245.972   10.305  759.676   63.300  688.360   90.026  829.410   89.022  232.806   15.575  256.043   13.976 -23.23724 20.92635 
1 1 1   12   -7   14 o  415.422   14.110  2178.70  146.379  2014.31  207.259  2342.31  206.765  396.284   21.019  428.686   19.315 -32.40152 28.54563 
1 1 1   12   -7   15 o  285.750   10.869  1026.55   77.561  845.054  109.603  1208.61  109.773  257.411   17.149  309.304   14.212 -51.89285 22.27261 
1 1 1   12   -7   16 o   99.093   10.186  124.654   24.847  130.078   34.828  119.031   35.459  100.482   14.282   95.811   15.338 4.671318 20.95764 
1 1 1   12   -7   17 o  207.398   9.8324  540.340   50.923  469.328   71.633  612.893   72.406  191.944   15.066  219.957   13.244 -28.01321 20.05924 
1 1 1   12   -7   18 o  160.606   14.576  329.080   57.822  302.162   84.609  352.669   79.204  151.408   23.110  164.939   19.614 -13.53133 30.31179 
1 1 1   12   -7   19 o  253.839   10.280  810.279   65.163  764.068   91.115  858.660   93.230  245.089   14.959  260.035   14.414 -14.94621 20.77314 
1 1 1   12   -7   20 f  206.789   10.125  537.804   52.285  486.345   72.085  594.932   75.951  195.288   14.894  216.312   14.138 -21.02480 20.53583 
1 1 1   12   -7   21 o   75.271   12.948   73.586   23.460   68.604   28.572   83.894   41.100   72.031   16.269   79.257   20.583 -7.225586 26.23605 
1 1 1   12   -7   22 o  180.549   10.562  412.036   47.413  407.788   63.139  417.529   71.797  178.720   14.266  180.318   16.114 -1.597916 21.52204 
1 1 1   12   -7   23 o  195.003   14.644  486.378   70.788  483.949   88.314  490.743  118.389  193.146   18.538  191.480   25.385 1.665741 31.43318 
1 1 1   12   -7   24 o  257.641   11.125  839.133   71.577  823.368   97.021  857.961  106.027  253.348   15.409  258.117   16.536 -4.768600 22.60262 
1 1 1   12   -7   25 o  217.016   10.517  595.717   56.997  554.145   74.770  653.383   88.062  207.635   14.512  224.972   15.775 -17.33736 21.43436 
1 1 1   12   -7   26 o  258.412   11.416  848.938   73.667  906.558   98.755  776.651  110.612  264.951   14.987  243.160   18.351 21.79106 23.69390 
1 1 1   12   -7   27 o   95.258   12.857  118.306   29.804  121.053   35.163  111.295   56.164   95.597   15.241   88.574   24.544 7.022598 28.89157 
1 1 1   12   -7   28 o  150.650   15.191  298.757   56.368  417.352   90.522  223.646   72.039  174.335   21.232  125.499   23.859 48.83577 31.93784 
1 1 1   12   -7   29 o  109.358   12.529  156.485   33.597  159.939   38.861  146.262   66.854  109.729   14.540   98.668   26.550 11.06155 30.27075 
1 1 1   12   -7   30 o   34.902   13.814   9.7001   17.863   7.9484   19.139   21.541   49.760   34.873   14.129   54.188   22.457 -19.31493 26.53162 
1 1 1   12   -7   31 o   91.073   13.933  111.484   30.679  119.192   35.288   87.619   62.090   93.390   15.688   76.457   26.571 16.93317 30.85663 
1 1 1   12   -7   32 o  134.505   14.936  244.621   49.319  291.580   62.485  167.021   80.323  144.887   17.634   99.572   29.903 45.31477 34.71470 
1 1 1   12   -7   33 o   66.858   19.199   65.500   33.740   65.500   33.740   0.0000   0.0000   66.858   19.199  ?   ?  0.000000 19.19867 
1 1 1   12   -7   34 o   78.769   16.801   89.199   32.040   82.952   35.927  113.477   70.821   74.511   19.192   80.584   28.356 -6.072311 34.24030 
1 1 1   12   -6    0 o  149.751   9.3192  281.483   34.677  308.745   50.032  256.280   48.106  156.506   12.917  142.396   13.698 14.10954 18.82751 
1 1 1   12   -6    1 o  332.180   12.017  1381.16   99.685  1514.97  141.750  1250.23  140.215  347.535   16.333  315.070   17.895 32.46527 24.22823 
1 1 1   12   -6    2 o  378.579   18.708  1800.87  176.861  1826.99  251.496  1775.31  248.763  379.168   26.732  373.716   26.835 5.452576 37.87770 
1 1 1   12   -6    3 o  340.574   17.690  1460.88  149.934  1364.35  213.064  1555.57  211.027  327.368   26.285  350.162   24.283 -22.79422 35.78496 
1 1 1   12   -6    4 f  619.664   27.707  4870.84  428.750  5145.70  607.769  4598.55  604.930  631.120   38.751  595.341   40.939 35.77960 56.37045 
1 1 1   12   -6    5 o  229.618   10.043  659.802   57.584  650.076   82.242  669.155   80.652  227.175   14.574  230.564   14.075 -3.389297 20.26121 
1 1 1   12   -6    6 o  176.897   9.4151  392.667   41.441  372.014   59.469  412.165   57.780  171.637   13.997  180.868   12.877 -9.231125 19.01901 
1 1 1   12   -6    7 o   83.758   10.972   89.367   22.397  121.680   34.041   64.702   29.741   97.409   14.431   70.320   17.101 27.08890 22.37637 
1 1 1   12   -6    8 o  326.109   12.109  1333.62   98.612  1274.17  140.098  1391.99  138.829  317.488   17.742  332.091   16.795 -14.60287 24.43037 
1 1 1   12   -6    9 o  146.873   9.3973  271.222   34.286  265.206   49.975  276.571   47.126  144.607   14.015  147.873   12.891 -3.265564 19.04191 
1 1 1   12   -6   10 o  211.652   13.825  565.609   72.669   0.0000   0.0000  565.609   72.669  ?   ?   211.652   13.825 0.000000 13.82507 
1 1 1   12   -6   11 o  184.956   13.818  432.795   63.362  432.795   63.362   0.0000   0.0000  184.956   13.818  ?   ?  0.000000 13.81844 
1 1 1   12   -6   12 o  217.346   13.732  597.122   74.150  529.497  105.186  663.926  104.545  202.895   21.067  228.132   18.511 -25.23615 28.04450 
1 1 1   12   -6   13 o  142.649   12.432  257.882   43.842  217.500   62.050  298.138   61.953  129.343   19.844  152.659   16.515 -23.31616 25.81739 
1 1 1   12   -6   14 o  483.178   15.906  2953.37  191.915  2599.37  271.088  3309.05  271.730  448.841   24.276  508.781   21.387 -59.93994 32.35373 
1 1 1   12   -6   15 o  232.644   9.8903  679.401   57.458  591.762   81.948  764.149   80.585  215.799   15.306  245.878   13.172 -30.07967 20.19382 
1 1 1   12   -6   16 o  304.740   11.466  1168.28   87.252  1087.59  123.352  1249.09  123.436  292.258   16.975  313.664   15.810 -21.40665 23.19672 
1 1 1   12   -6   17 o  211.686   9.4357  562.488   49.879  501.038   70.442  624.282   70.638  198.613   14.298  222.162   12.787 -23.54877 19.18173 
1 1 1   12   -6   18 o   78.045   11.287   78.201   21.359   46.028   28.410  120.027   32.392   59.709   17.750   96.530   13.833 -36.82162 22.50423 
1 1 1   12   -6   19 f  293.619   13.350  1088.72   97.888  1012.79  171.575  1125.37  119.190  278.331   24.950  297.341   16.112 -19.01056 29.70069 
1 1 1   12   -6   20 o  357.032   18.635  1632.54  165.570  1606.21  235.647  1658.21  232.684  349.235   27.236  355.417   26.405 -6.182587 37.93456 
1 1 1   12   -6   21 o  123.524   10.098  193.123   30.876  166.406   40.515  230.134   47.686  113.710   14.606  134.039   14.476 -20.32895 20.56434 
1 1 1   12   -6   22 o  172.575   9.9301  375.783   42.613  375.841   56.938  375.708   64.251  171.864   13.372  171.376   15.170 0.4881287 20.22238 
1 1 1   12   -6   23 o  106.418   11.270  144.378   29.494  147.739   36.819  138.360   49.272  107.051   14.117  102.011   20.057 5.039131 24.52708 
1 1 1   12   -6   24 o  242.826   10.889  743.929   66.027  739.612   89.456  749.096   97.863  240.581   14.964  241.606   16.316 -1.024872 22.13904 
1 1 1   12   -6   25 o  218.070   14.738  609.318   79.785  552.387   97.914  721.817  137.640  205.716   19.285  232.747   24.027 -27.03114 30.80942 
1 1 1   12   -6   26 o  377.977   13.446  1822.07  126.913  1871.83  175.688  1767.77  183.533  379.532   18.537  367.111   20.096 12.42133 27.34027 
1 1 1   12   -6   27 o  275.857   11.179  966.819   77.011  920.884  102.532  1026.27  116.649  266.733   15.460  280.802   16.711 -14.06860 22.76509 
1 1 1   12   -6   28 o  139.838   11.293  250.861   39.098  250.229   48.193  252.078   66.872  138.635   14.118  136.327   20.259 2.308411 24.69304 
1 1 1   12   -6   29 o  195.123   10.712  487.541   51.998  467.053   65.203  523.333   86.181  189.374   13.885  198.098   17.605 -8.724594 22.42120 
1 1 1   12   -6   30 o  111.149   19.241  170.961   51.471  122.956   76.573  210.531   69.520   89.744   29.516  120.645   23.920 -30.90040 37.99210 
1 1 1   12   -6   31 o   43.962   15.178   23.868   20.242   29.252   22.050  -4.9926   51.047   47.630   15.847   48.152   21.350 -0.5212135 26.58853 
1 1 1   12   -6   32 o   77.738   26.545   91.325   61.862   0.0000   0.0000   91.325   61.862  ?   ?    77.738   26.545 0.000000 26.54464 
1 1 1   12   -6   33 o   81.048   15.508   90.773   30.243   95.458   33.703   71.409   68.525   82.451   16.936   71.031   27.361 11.41994 32.17850 
1 1 1   12   -6   34 o  140.725   18.957  283.173   64.923  283.173   64.923   0.0000   0.0000  140.725   18.957  ?   ?  0.000000 18.95687 
1 1 1   12   -6   35 o  152.252   13.377  313.391   50.345  306.638   59.183  331.072   95.763  147.948   16.289  139.668   28.424 8.280182 32.76021 
1 1 1   12   -5    0 o  319.581   11.762  1277.87   93.864  1318.19  133.206  1238.11  132.287  323.839   16.527  313.767   16.946 10.07144 23.67096 
1 1 1   12   -5    1 o  565.771   17.975  4016.82  253.951  4181.32  359.628  3853.20  358.655  575.893   25.007  552.622   25.989 23.27130 36.06662 
1 1 1   12   -5    2 o  289.149   11.095  1046.00   80.111  1059.85  113.801  1032.40  112.794  290.340   15.755  286.535   15.825 3.804993 22.33050 
1 1 1   12   -5    3 o  501.439   16.058  3153.36  201.070  3237.45  284.815  3069.81  283.901  507.007   22.496  493.603   23.032 13.40393 32.19536 
1 1 1   12   -5    4 o  143.971   9.4853  260.354   33.911  252.145   48.766  268.041   47.187  141.164   14.019  145.704   13.109 -4.539825 19.19360 
1 1 1   12   -5    5 o  188.108   13.955  445.927   65.087  366.136   94.114  519.077   90.111  168.873   22.909  202.460   18.012 -33.58653 29.14138 
1 1 1   12   -5    6 o  254.938   14.995  818.210   95.041  844.491  136.348  793.372  132.549  257.947   21.360  249.948   21.444 7.998474 30.26672 
1 1 1   12   -5    7 o  118.839   9.6414  177.879   28.366  175.058   41.261  180.406   39.059  117.256   14.394  119.219   13.349 -1.962715 19.63089 
1 1 1   12   -5    8 o  438.906   14.494  2418.37  158.853  2475.30  225.328  2362.13  223.982  442.871   20.375  432.546   20.736 10.32468 29.07085 
1 1 1   12   -5    9 o  155.709   10.683  305.136   41.288  265.009   72.216  324.622   50.324  143.369   20.776  160.379   12.668 -17.01009 24.33411 
1 1 1   12   -5   10 o  245.164   12.201  754.060   74.699  760.481   91.466  741.200  129.442  245.460   14.994  240.885   21.753 4.575256 26.42021 
1 1 1   12   -5   11 o   77.753   11.124   77.340   20.983   99.818   31.635   59.681   28.039   87.865   14.953   67.480   16.724 20.38474 22.43417 
1 1 1   12   -5   12 f  145.206   9.1793  265.193   33.114  238.786   47.782  289.595   45.932  137.028   14.168  151.353   12.258 -14.32489 18.73501 
1 1 1   12   -5   13 o   76.171   10.661   74.202   19.723   63.177   29.667   82.936   26.403   69.332   17.214   80.073   13.697 -10.74168 21.99836 
1 1 1   12   -5   14 o  260.405   14.714  858.112   95.288  709.240  134.482  1008.21  135.035  234.237   23.300  281.014   19.361 -46.77689 30.29420 
1 1 1   12   -5   15 o  408.122   19.702  2121.15  200.792  1975.49  283.476  2267.81  284.452  388.242   29.459  417.388   27.444 -29.14670 40.26136 
1 1 1   12   -5   16 o  121.579   9.4201  186.543   28.377  172.026   41.018  199.869   39.298  115.850   14.496  125.344   12.732 -9.493492 19.29307 
1 1 1   12   -5   17 o  166.669   9.2617  349.588   38.395  299.260   54.242  400.128   54.356  153.279   14.338  177.838   12.316 -24.55887 18.90093 
1 1 1   12   -5   18 o  168.990   9.2286  359.414   38.797  298.309   54.304  423.124   55.449  152.988   14.383  182.887   12.211 -29.89908 18.86775 
1 1 1   12   -5   19 o  273.299   10.418  938.782   71.098  821.020   99.998  1059.17  101.105  254.018   15.843  289.530   13.984 -35.51205 21.13202 
1 1 1   12   -5   20 o  412.045   13.597  2144.61  139.904  1939.24  197.118  2353.07  198.597  388.542   20.387  429.495   18.517 -40.95282 27.54098 
1 1 1   12   -5   21 o  213.350   14.955  579.380   79.174  525.458  114.138  629.390  109.920  200.424   23.236  220.742   20.163 -20.31860 30.76478 
1 1 1   12   -5   22 o  139.801   10.811  247.433   37.448  210.651   44.491  336.803   69.351  128.265   14.125  161.667   17.455 -33.40207 22.45431 
1 1 1   12   -5   23 o  190.749   9.9628  458.827   47.292  436.581   63.737  486.075   70.541  185.190   13.883  195.276   14.571 -10.08603 20.12583 
1 1 1   12   -5   24 o  206.101   9.6110  534.254   49.465  441.393   65.580  656.810   75.339  186.016   14.226  227.387   13.326 -41.37151 19.49248 
1 1 1   12   -5   25 o  301.439   11.188  1147.08   84.216  1035.26  115.175  1275.55  123.454  284.199   16.297  316.229   15.633 -32.02969 22.58288 
1 1 1   12   -5   26 o  234.338   10.803  693.788   63.216  700.224   84.463  685.591   95.319  233.896   14.533  230.545   16.669 3.350983 22.11463 
1 1 1   12   -5   27 o   81.437   16.443   88.315   32.287   83.930   33.775  134.826  109.991   79.085   17.560   99.425   35.301 -20.34015 39.42679 
1 1 1   12   -5   28 o  158.137   11.379  319.540   44.636  325.591   56.188  309.190   73.487  158.585   14.343  152.109   19.817 6.475922 24.46353 
1 1 1   12   -5   29 o  119.858   11.743  185.180   34.696  195.656   41.821  162.050   62.143  122.477   13.921  107.116   23.845 15.36087 27.61153 
1 1 1   12   -5   30 o   79.031   14.109   83.245   26.823   90.121   30.648   60.743   55.446   81.799   15.573   68.907   24.990 12.89171 29.44544 
1 1 1   12   -5   31 o   24.071   11.087 -11.1005   15.407  -8.4964   16.252 -34.2207   48.425   25.777   11.686   41.451   19.287 -15.67471 22.55130 
1 1 1   12   -5   32 o   40.323   18.287 -15.6216   39.828 -98.3258   66.821   29.952   49.603   41.305   20.118   56.560   22.805 -15.25580 30.41079 
1 1 1   12   -5   33 o   67.502   16.772   63.776   28.147   83.958   31.903  -7.1076   59.789   77.537   16.950   50.909   22.803 26.62818 28.41266 
1 1 1   12   -5   34 o  106.197   13.179  150.682   34.199  152.296   39.403  145.756   68.851  105.562   15.401   94.861   27.479 10.70096 31.50079 
1 1 1   12   -5   35 o   88.494   15.935  109.437   33.918  134.062   38.909   31.495   69.223   97.779   16.524   60.247   25.800 37.53205 30.63814 
1 1 1   12   -5   36 o   46.376   17.807   24.907   28.962   24.907   28.962   0.0000   0.0000   46.376   17.807  ?   ?  0.000000 17.80733 
1 1 1   12   -4    0 o  212.322   9.6992  563.620   51.426  579.520   73.335  548.236   72.134  214.717   13.749  208.799   13.914 5.917847 19.56135 
1 1 1   12   -4    1 o  215.745   9.7955  581.977   52.774  577.677   75.082  586.176   74.193  214.327   14.107  215.935   13.832 -1.607574 19.75683 
1 1 1   12   -4    2 o  310.848   11.541  1208.87   89.586  1199.82  127.047  1217.82  126.344  308.924   16.529  311.267   16.311 -2.343567 23.22179 
1 1 1   12   -4    3 o  421.887   14.209  2229.35  149.696  2256.72  212.072  2202.17  211.333  423.812   20.038  418.635   20.215 5.176666 28.46386 
1 1 1   12   -4    4 o  347.093   11.673  1507.60  101.177  1537.66  143.641  1478.00  142.536  350.151   16.427  343.273   16.628 6.878235 23.37404 
1 1 1   12   -4    5 o  756.795   23.238  7219.30  439.164  7375.13  621.461  7063.85  620.682  761.414   32.685  744.881   33.368 16.53271 46.70876 
1 1 1   12   -4    6 o  498.616   16.081  3119.58  200.237  3193.47  283.617  3046.14  282.740  503.289   22.566  491.442   23.039 11.84686 32.24969 
1 1 1   12   -4    7 o  104.787   11.688  139.186   30.063  118.132   54.591  148.349   36.016   94.873   23.229  107.942   13.668 -13.06883 26.95154 
1 1 1   12   -4    8 o  367.051   18.515  1699.59  169.157  1624.38  239.932  1773.91  238.521  356.716   27.138  373.258   25.747 -16.54196 37.40885 
1 1 1   12   -4    9 o  193.014   13.957  469.850   66.817  431.916   97.465  503.486   91.779  183.675   21.667  199.079   18.680 -15.40370 28.60728 
1 1 1   12   -4   10 o  273.027   10.860  933.840   74.041  898.854  105.009  968.431  104.414  266.909   15.825  277.199   15.141 -10.29056 21.90209 
1 1 1   12   -4   11 o  265.913   10.769  886.104   71.512  847.744  101.769  923.522  100.510  259.078   15.806  270.611   14.931 -11.53299 21.74321 
1 1 1   12   -4   12 o  363.594   13.005  1660.54  118.079  1607.22  167.588  1713.10  166.396  356.044   18.917  368.278   18.093 -12.23422 26.17662 
1 1 1   12   -4   13 o  351.274   12.771  1550.62  112.026  1459.69  158.877  1640.53  157.986  339.042   18.840  360.289   17.560 -21.24634 25.75405 
1 1 1   12   -4   14 o  119.116   9.3153  178.904   27.488  144.547   39.972  209.730   37.862  105.943   15.574  128.665   11.919 -22.72176 19.61143 
1 1 1   12   -4   15 o  235.816   10.130  697.724   59.654  606.064   84.732  787.806   83.999  218.512   15.631  249.749   13.519 -31.23672 20.66640 
1 1 1   12   -4   16 o   80.208   13.822   83.349   26.685   56.976   37.140  111.490   38.366   66.708   20.400   92.362   17.269 -25.65330 26.72789 
1 1 1   12   -4   17 o  259.675   14.373  853.760   92.838  690.224  130.139  1023.23  132.479  230.872   22.874  282.998   18.854 -52.12608 29.64269 
1 1 1   12   -4   18 o  211.230   9.4338  559.875   49.761  438.146   70.109  683.453   70.640  185.515   15.269  232.681   12.200 -47.16603 19.54454 
1 1 1   12   -4   19 o  133.731   9.0095  225.355   29.912  191.815   41.773  260.648   42.851  122.498   13.902  143.378   12.081 -20.88084 18.41776 
1 1 1   12   -4   20 o  198.509   9.1353  494.492   45.285  419.131   63.264  573.681   64.851  181.613   14.059  213.048   12.241 -31.43529 18.64122 
1 1 1   12   -4   21 f  275.705   10.641  955.800   73.264  845.195  102.624  1070.77  104.628  257.646   16.030  290.969   14.400 -33.32309 21.54781 
1 1 1   12   -4   22 o   89.431   10.816  102.053   23.665   83.835   30.196  131.056   38.100   79.974   15.680  100.510   15.693 -20.53603 22.18402 
1 1 1   12   -4   23 o   53.923   19.824   30.215   35.060   34.512   54.729   27.224   45.658   62.847   24.384   57.068   22.235 5.779274 32.99974 
1 1 1   12   -4   24 o  147.764   9.9267  275.787   36.417  252.054   47.023  311.349   57.561  140.516   13.570  155.965   14.963 -15.44861 20.19978 
1 1 1   12   -4   25 o  175.536   10.187  389.163   44.463  324.630   58.127  480.179   69.031  159.221   14.788  194.024   14.349 -34.80296 20.60558 
1 1 1   12   -4   26 o  416.592   14.127  2205.43  146.969  2098.08  204.697  2319.63  211.143  402.038   20.456  423.574   19.962 -21.53598 28.58207 
1 1 1   12   -4   27 o  220.034   10.931  611.979   60.063  610.327   79.597  614.162   91.531  218.206   14.693  217.970   16.949 0.2368774 22.43130 
1 1 1   12   -4   28 o  168.308   15.464  366.819   64.268  368.431   73.391  361.515  133.092  167.727   17.794  156.525   34.936 11.20224 39.20618 
1 1 1   12   -4   29 o  194.012   10.891  479.512   52.553  439.395   66.896  544.183   84.935  184.204   14.664  204.000   16.823 -19.79619 22.31701 
1 1 1   12   -4   30 o  124.377   11.527  199.157   35.394  207.605   42.390  179.710   64.317  126.257   13.663  112.979   23.560 13.27842 27.23515 
1 1 1   12   -4   31 o   37.070   14.273   12.523   18.641   12.717   20.273   11.466   47.432   38.136   14.828   51.285   21.635 -13.14975 26.22846 
1 1 1   12   -4   32 o   85.356   15.321   98.419   31.457  105.073   31.864 -157.4400  197.588   88.401   14.968   72.173   35.025 16.22829 38.08983 
1 1 1   12   -4   33 f  118.984   19.306  197.521   55.398  262.542   85.482  150.441   72.740  131.533   26.931   98.015   28.202 33.51813 38.99530 
1 1 1   12   -4   34 o  127.347   12.428  213.363   39.020  214.723   45.632  209.664   75.263  126.493   14.721  116.543   26.465 9.950684 30.28361 
1 1 1   12   -4   35 o   98.333   14.080  130.699   33.588  124.365   38.484  150.951   68.810   94.330   16.961   96.592   27.311 -2.262024 32.14875 
1 1 1   12   -4   36 o   60.278   17.390   52.118   27.624   65.825   30.602  -8.1975   64.194   67.382   17.888   51.029   23.170 16.35368 29.27171 
1 1 1   12   -3    0 o  251.036   10.219  787.949   64.058  815.524   91.243  761.148   89.955  254.811   14.398  246.109   14.704 8.702225 20.57961 
1 1 1   12   -3    1 o  204.861   9.5903  524.666   49.061  478.644   69.677  569.920   69.094  194.987   14.412  213.002   13.053 -18.01421 19.44420 
1 1 1   12   -3    2 o  446.766   14.634  2499.66  163.261  2466.28  230.976  2532.99  230.795  443.087   20.875  449.078   20.580 -5.990265 29.31418 
1 1 1   12   -3    3 o  509.848   16.332  3258.22  207.937  3336.97  294.456  3179.88  293.680  515.016   22.895  502.664   23.396 12.35236 32.73503 
1 1 1   12   -3    4 o  897.611   27.384 10174.16  613.804  9813.50  867.651 10535.47  868.450  876.180   39.655  908.560   38.277 -32.37939 55.11521 
1 1 1   12   -3    5 o  488.973   15.620  2996.96  190.723  2983.95  270.030  3009.92  269.417  486.944   22.207  489.083   22.059 -2.139435 31.30087 
1 1 1   12   -3    6 o  243.825   10.286  743.643   62.629  726.531   88.884  760.515   88.262  240.310   14.885  245.941   14.434 -5.631027 20.73427 
1 1 1   12   -3    7 o  472.528   15.360  2800.15  181.245  2908.58  256.867  2692.63  255.774  480.602   21.403  462.276   22.157 18.32587 30.80588 
1 1 1   12   -3    8 o  171.118   12.988  368.958   55.088   0.0000   0.0000  368.958   55.088  ?   ?   171.118   12.988 0.000000 12.98850 
1 1 1   12   -3    9 o  100.421   14.485  129.082   35.275  129.082   35.275   0.0000   0.0000  100.421   14.485  ?   ?  0.000000 14.48543 
1 1 1   12   -3   10 o  400.047   19.557  2017.32  195.375  1976.82  277.319  2057.23  275.297  392.978   28.452  401.199   27.647 -8.221252 39.67199 
1 1 1   12   -3   11 o  125.943   13.783  201.436   42.639  193.290   63.784  208.018   57.332  121.852   21.760  127.160   18.605 -5.307755 28.62996 
1 1 1   12   -3   12 o   91.196   9.8483  105.362   22.072  120.297   33.302   93.663   29.475   96.845   14.192   85.190   14.366 11.65463 20.19390 
1 1 1   12   -3   13 o  211.240   9.5432  558.945   50.341  570.007   72.538  548.667   69.920  212.521   13.742  208.528   13.500 3.993210 19.26344 
1 1 1   12   -3   14 o  220.722   10.062  610.721   55.458  546.756   79.283  672.002   77.602  207.737   15.393  230.774   13.525 -23.03711 20.49056 
1 1 1   12   -3   15 o  110.837   9.2492  155.019   25.366  152.639   37.095  157.110   34.764  109.248   13.913  111.064   12.767 -1.816719 18.88280 
1 1 1   12   -3   16 o  108.948   9.3983  149.916   25.319  127.663   36.786  169.947   34.902   99.450   15.303  115.618   12.276 -16.16825 19.61876 
1 1 1   12   -3   17 o  227.011   10.094  646.765   57.220  549.530   81.091  743.186   80.752  207.922   15.734  242.516   13.386 -34.59401 20.65802 
1 1 1   12   -3   18 o  157.713   12.406  314.994   48.465  278.053   67.314  354.751   69.833  146.728   18.804  166.450   17.041 -19.72208 25.37698 
1 1 1   12   -3   19 o   67.853   15.117   60.462   24.958   80.428   32.396   31.311   39.145   78.155   17.077   56.103   20.886 22.05272 26.97866 
1 1 1   12   -3   20 o   90.247   10.178  103.575   22.536   77.012   30.414  135.914   33.558   76.526   16.408  102.969   13.366 -26.44276 21.16321 
1 1 1   12   -3   21 o  299.893   10.962  1130.97   82.095  962.596  115.269  1304.30  116.950  274.845   16.876  321.177   14.582 -46.33215 22.30332 
1 1 1   12   -3   22 f   61.033   13.743   48.886   20.442   58.466   25.797   32.717   33.513   66.611   15.755   54.487   19.470 12.12383 25.04647 
1 1 1   12   -3   23 f  149.799   9.6682  283.021   35.973  258.723   48.592  312.487   53.511  142.425   13.837  156.651   13.821 -14.22552 19.55709 
1 1 1   12   -3   24 o  306.224   11.507  1181.40   87.993  1127.41  122.482  1238.99  126.496  297.289   16.564  311.797   16.303 -14.50763 23.24131 
1 1 1   12   -3   25 o   64.924   21.230   52.702   39.634   7.6664   61.917   83.965   51.588   58.392   24.680   79.788   23.965 -21.39552 34.40085 
1 1 1   12   -3   26 o  303.821   11.485  1164.68   87.133  1105.90  119.667  1231.01  127.120  294.058   16.361  310.244   16.467 -16.18631 23.21321 
1 1 1   12   -3   27 o  365.386   13.344  1693.82  121.758  1685.17  168.809  1703.21  175.787  361.216   18.779  362.692   19.480 -1.476074 27.05801 
1 1 1   12   -3   28 o  322.062   12.233  1315.66   98.387  1282.49  134.246  1354.14  144.613  315.206   17.119  323.374   17.979 -8.168152 24.82590 
1 1 1   12   -3   29 o  260.266   11.110  858.919   72.210  775.698   95.406  970.523  110.485  245.036   15.674  273.864   16.228 -28.82814 22.56129 
1 1 1   12   -3   30 f   93.745   17.023  117.572   38.383  126.728   39.930   6.2414  139.243   97.407   17.036   79.409   35.232 17.99799 39.13486 
1 1 1   12   -3   31 o   77.701   24.892   84.047   54.657   0.0000   0.0000   84.047   54.657  ?   ?    77.701   24.892 0.000000 24.89158 
1 1 1   12   -3   32 o  110.426   12.454  158.954   33.742  161.065   38.543  152.029   69.809  110.441   14.312  100.979   27.113 9.462738 30.65833 
1 1 1   12   -3   33 o  134.459   11.622  234.553   38.640  236.364   46.175  230.322   70.579  133.861   14.021  126.631   23.174 7.229591 27.08534 
1 1 1   12   -3   34 o  102.976   13.256  140.484   33.297  145.003   38.502  127.073   66.320  103.680   15.333   90.735   27.154 12.94493 31.18405 
1 1 1   12   -3   35 o  101.766   21.770  151.389   53.651  211.000   84.801  111.604   69.279  113.979   29.548   84.166   28.094 29.81264 40.77238 
1 1 1   12   -3   36 o   56.664   18.062   44.772   28.806   44.772   28.806   0.0000   0.0000   56.664   18.062  ?   ?  0.000000 18.06199 
1 1 1   12   -3   37 o  111.253   14.248  168.687   38.673  191.720   45.050  104.163   75.402  117.670   15.725   78.700   29.049 38.97029 33.03219 
1 1 1   12   -2    0 o  715.457   21.751  6430.40  388.612  6361.68  549.544  6499.13  549.618  709.397   31.021  717.112   30.692 -7.715637 43.63852 
1 1 1   12   -2    1 o  318.101   11.709  1265.70   93.013  1226.34  131.609  1304.99  131.471  312.355   16.936  322.310   16.388 -9.955139 23.56717 
1 1 1   12   -2    2 o  421.027   14.161  2219.24  148.891  2039.50  210.437  2399.40  210.690  402.432   21.013  437.283   19.294 -34.85086 28.52748 
1 1 1   12   -2    3 o  226.871   9.7407  643.495   55.185  624.307   78.363  662.372   77.726  222.857   14.155  229.632   13.615 -6.775848 19.63994 
1 1 1   12   -2    4 o  160.674   9.4140  323.849   37.607  321.436   53.716  326.168   52.669  159.664   13.602  160.886   13.227 -1.222046 18.97262 
1 1 1   12   -2    5 o  267.461   10.474  894.641   69.954  921.548   99.119  867.939   98.743  270.843   14.710  262.778   15.111 8.065216 21.08885 
1 1 1   12   -2    6 o  271.540   10.684  922.284   72.449  872.166  102.865  971.618  102.056  263.321   15.715  278.095   14.748 -14.77444 21.55184 
1 1 1   12   -2    7 o  781.313   24.084  7696.55  469.901  7607.08  664.610  7785.98  664.469  772.860   34.436  782.078   34.023 -9.217896 48.40891 
1 1 1   12   -2    8 o  165.274   9.3034  342.680   38.241  336.790   55.064  348.168   53.148  163.397   13.619  166.237   12.904 -2.839859 18.76152 
1 1 1   12   -2    9 o  300.070   11.212  1127.12   84.015  1134.23  119.355  1120.13  118.282  300.205   15.979  298.334   15.935 1.870331 22.56602 
1 1 1   12   -2   10 f  350.705   12.476  1541.05  109.260  1484.53  154.835  1597.10  154.202  343.084   18.137  356.453   17.324 -13.36862 25.08094 
1 1 1   12   -2   11 o  208.415   9.3505  543.531   48.665  592.086   69.894  497.844   67.799  216.925   12.962  198.745   13.745 18.18010 18.89287 
1 1 1   12   -2   12 o  168.266   13.189  357.388   54.977  426.426   82.235  301.598   73.925  183.075   18.230  153.360   19.763 29.71478 26.88710 
1 1 1   12   -2   13 o  285.775   16.134  1031.25  114.665  901.946  163.662  1155.91  160.701  265.060   25.022  301.347   21.496 -36.28711 32.98755 
1 1 1   12   -2   14 o  402.623   13.714  2037.54  137.880  2012.06  195.593  2062.72  194.398  398.708   19.645  403.797   19.279 -5.089020 27.52422 
1 1 1   12   -2   15 o  212.999   9.8881  568.665   52.594  519.277   75.315  615.674   73.478  202.491   15.001  220.877   13.385 -18.38574 20.10449 
1 1 1   12   -2   16 o  277.435   10.825  965.972   74.999  839.797  106.382  1090.66  105.751  257.270   16.648  294.220   14.393 -36.95026 22.00739 
1 1 1   12   -2   17 o  157.655   9.1382  312.603   35.822  287.025   51.400  336.761   49.952  150.315   13.849  163.183   12.350 -12.86816 18.55552 
1 1 1   12   -2   18 o  124.474   9.0931  195.284   28.069  150.449   40.177  238.034   39.231  108.101   15.311  137.134   11.564 -29.03320 19.18744 
1 1 1   12   -2   19 o  136.601   9.1492  235.054   31.029  182.613   43.887  287.469   43.877  119.311   15.066  150.738   11.749 -31.42701 19.10553 
1 1 1   12   -2   20 o  156.882   12.445  311.821   48.353  294.263   65.850  332.365   71.229  151.221   17.777  160.760   18.055 -9.538773 25.33805 
1 1 1   12   -2   21 o   62.986   15.132   52.168   23.504   39.696   28.882   76.621   40.442   56.462   18.095   76.153   20.716 -19.69109 27.50638 
1 1 1   12   -2   22 o  172.686   9.1298  375.198   39.231  296.933   54.222  461.176   56.831  152.629   14.396  191.014   11.975 -38.38474 18.72562 
1 1 1   12   -2   23 o   73.494   12.227   69.831   21.651   84.228   27.495   46.333   35.127   80.489   14.198   61.184   19.985 19.30482 24.51520 
1 1 1   12   -2   24 o  147.886   9.8985  275.996   36.344  241.147   48.433  320.912   54.985  137.354   14.331  158.725   14.016 -21.37053 20.04607 
1 1 1   12   -2   25 o  228.106   9.8097  653.917   55.878  574.572   76.082  746.840   82.335  212.553   14.419  242.672   13.642 -30.11905 19.84993 
1 1 1   12   -2   26 o  310.750   14.287  1223.69  110.865  1154.72  192.074  1258.15  135.764  295.749   26.281  313.532   17.409 -17.78268 31.52382 
1 1 1   12   -2   27 f  150.296   15.441  290.318   57.127  295.987   85.322  285.712   76.911  149.019   23.723  147.147   21.571 1.871613 32.06434 
1 1 1   12   -2   28 o  338.811   12.697  1454.74  107.428  1433.50  147.855  1478.50  156.353  333.523   17.817  338.273   18.580 -4.750153 25.74253 
1 1 1   12   -2   29 o  256.254   10.866  830.520   69.534  783.323   92.382  892.206  105.614  246.999   15.049  263.123   16.152 -16.12387 22.07619 
1 1 1   12   -2   30 o   43.402   14.831   22.452   19.311   18.289   20.884   47.005   50.717   41.704   15.305   64.518   23.822 -22.81356 28.31489 
1 1 1   12   -2   31 o  113.721   12.421  167.140   34.699  186.915   41.583  121.805   62.962  119.744   14.182   92.466   26.117 27.27787 29.71929 
1 1 1   12   -2   32 o  201.869   17.344  540.227   86.582  537.603   95.119  552.909  209.100  200.031   19.281  174.219   46.986 25.81224 50.78803 
1 1 1   12   -2   33 o  133.776   11.885  231.829   39.290  240.206   47.185  212.888   70.953  135.177   14.190  121.642   24.209 13.53447 28.06149 
1 1 1   12   -2   34 o  178.302   12.004  412.414   53.136  415.393   63.803  405.669   95.992  177.425   14.528  168.430   23.460 8.994797 27.59362 
1 1 1   12   -2   35 o  102.349   13.651  139.333   34.020  151.938   39.394  102.350   67.476  106.151   15.303   82.068   27.724 24.08308 31.66757 
1 1 1   12   -2   36 o   54.541   22.017   28.502   46.297   10.711   76.990   38.579   57.945   59.683   26.353   60.693   24.586 -1.010139 36.04065 
1 1 1   12   -2   37 o  137.340   13.043  251.128   44.197  260.853   52.310  226.868   82.623  138.351   15.402  117.631   28.441 20.71944 32.34338 
1 1 1   12   -2   38 o   91.528   15.805  117.248   34.819  124.315   39.889   94.627   71.368   93.007   17.823   75.788   28.204 17.21845 33.36392 
1 1 1   12   -1    0 o  297.839   10.789  1109.23   80.242  1088.30  113.599  1130.06  113.359  294.381   15.508  300.026   15.180 -5.645447 21.70051 
1 1 1   12   -1    1 o  728.835   22.534  6675.48  410.125  6487.70  579.837  6863.48  580.170  716.049   32.427  736.759   31.534 -20.71063 45.23199 
1 1 1   12   -1    2 o  795.458   24.507  7961.90  486.816  7764.49  688.345  8159.44  688.578  782.324   35.235  802.281   34.370 -19.95758 49.22145 
1 1 1   12   -1    3 o  456.836   15.087  2613.62  172.111  2582.12  243.566  2645.04  243.238  453.373   21.513  458.901   21.226 -5.527252 30.22185 
1 1 1   12   -1    4 o  165.982   9.2428  345.454   38.159  365.397   54.583  326.392   53.366  170.390   12.925  160.932   13.401 9.457382 18.61798 
1 1 1   12   -1    5 o  269.361   10.608  907.353   71.354  931.424  101.160  883.519  100.661  272.294   14.934  265.140   15.268 7.154083 21.35720 
1 1 1   12   -1    6 o  419.279   14.136  2201.40  148.002  2210.50  209.566  2192.34  209.049  419.529   20.004  417.798   20.037 1.731110 28.31290 
1 1 1   12   -1    7 o  298.594   16.021  1120.85  119.025   0.0000   0.0000  1120.85  119.025  ?   ?   298.594   16.021 0.000000 16.02122 
1 1 1   12   -1    8 o  287.314   15.544  1037.87  111.109  1037.87  111.109   0.0000   0.0000  287.314   15.544  ?   ?  0.000000 15.54393 
1 1 1   12   -1    9 o  253.933   10.108  806.630   64.099  778.769   91.246  833.774   90.066  248.815   14.751  257.566   14.056 -8.751190 20.37580 
1 1 1   12   -1   10 o  211.959   9.6599  562.011   51.130  528.039   72.861  594.972   71.768  204.725   14.343  217.502   13.277 -12.77756 19.54461 
1 1 1   12   -1   11 o  482.579   15.742  2923.97  189.710  2908.71  268.655  2939.14  267.928  479.953   22.415  482.500   22.237 -2.546692 31.57397 
1 1 1   12   -1   12 o  226.055   9.7458  639.566   55.015  649.234   78.661  630.308   76.973  227.052   13.941  223.719   13.846 3.333527 19.64837 
1 1 1   12   -1   13 o  478.611   15.285  2879.03  182.680  2973.70  259.069  2785.40  257.635  484.893   21.395  469.120   21.992 15.77264 30.68259 
1 1 1   12   -1   14 o  154.296   10.377  299.611   39.751  317.746   75.209  292.581   46.826  157.403   19.556  152.203   12.428 5.200150 23.17075 
1 1 1   12   -1   15 o  358.170   18.145  1624.76  161.762  1664.69  230.809  1586.22  226.775  359.970   25.849  351.269   26.038 8.701050 36.68970 
1 1 1   12   -1   16 o  220.176   11.103  609.809   60.851  577.871   74.725  672.684  104.845  213.830   14.073  229.840   18.422 -16.00990 23.18218 
1 1 1   12   -1   17 o  195.128   9.4183  477.266   45.893  408.069   65.658  543.366   64.172  179.325   14.794  207.537   12.440 -28.21201 19.32908 
1 1 1   12   -1   18 o   72.726   10.873   67.852   19.141   70.928   28.155   65.208   26.101   73.559   15.799   70.546   15.260 3.012527 21.96482 
1 1 1   12   -1   19 o   78.762   10.700   79.309   20.500   69.302   29.465   88.697   28.539   72.582   16.615   82.705   14.338 -10.12269 21.94626 
1 1 1   12   -1   20 o  353.059   12.668  1569.57  111.687  1474.70  157.966  1664.41  157.933  340.067   18.673  362.202   17.461 -22.13528 25.56501 
1 1 1   12   -1   21 o  320.646   11.547  1293.14   92.458  1209.98  130.898  1375.93  130.613  308.391   17.064  329.687   15.865 -21.29623 23.29937 
1 1 1   12   -1   22 o   51.602   15.267   34.192   21.053   24.908   24.906   57.428   39.403   47.445   16.803   67.210   21.089 -19.76503 26.96440 
1 1 1   12   -1   23 o   92.997   10.558  110.059   24.083   93.357   31.555  133.365   37.273   84.596   15.508  101.600   15.155 -17.00373 21.68353 
1 1 1   12   -1   24 o  407.938   13.919  2102.41  141.793  1978.71  199.645  2228.33  201.419  392.622   20.433  417.724   19.309 -25.10132 28.11320 
1 1 1   12   -1   25 o  155.010   10.263  303.336   39.503  285.040   52.534  327.141   59.924  149.470   14.247  160.001   15.180 -10.53084 20.81837 
1 1 1   12   -1   26 o  344.210   12.368  1494.75  106.311  1360.21  148.184  1637.43  152.606  325.895   18.282  358.608   17.041 -32.71274 24.99292 
1 1 1   12   -1   27 o   79.602   13.215   82.190   25.348   92.919   30.489   58.175   45.615   84.360   15.024   68.453   22.794 15.90691 27.29998 
1 1 1   12   -1   28 o  339.570   18.420  1484.18  155.608  1472.05  222.825  1495.73  217.401  332.502   27.071  335.891   26.124 -3.388855 37.62061 
1 1 1   12   -1   29 o  118.776   11.394  179.919   33.382  161.161   40.522  219.530   58.885  111.497   14.929  129.211   18.801 -17.71422 24.00715 
1 1 1   12   -1   30 o   36.804   14.236   11.426   18.611  -5.2073   20.403   93.824   45.412   30.899   13.609   82.968   21.679 -52.06918 25.59610 
1 1 1   12   -1   31 o   72.298   15.422   69.754   26.995   64.409   27.481  216.874  144.174   69.281   16.178  118.591   40.524 -49.31051 43.63345 
1 1 1   12   -1   32 o  260.872   11.574  868.121   75.399  855.724   97.961  886.139  118.099  256.536   15.362  258.875   18.388 -2.339325 23.96104 
1 1 1   12   -1   33 o   90.751   17.468  111.890   38.149  118.055   39.001 -24.5869  183.497   93.312   17.377   82.331   38.042 10.98042 41.82276 
1 1 1   12   -1   34 o  199.554   12.614  516.380   62.537  559.414   78.003  438.950  104.631  205.984   15.273  175.218   24.590 30.76572 28.94710 
1 1 1   12   -1   35 f   57.125   16.424   44.615   24.678   50.832   27.454   18.452   56.317   60.714   17.280   55.933   23.584 4.781021 29.23690 
1 1 1   12   -1   36 o  131.571   12.779  227.578   41.455  220.056   48.916  246.749   78.093  127.795   15.656  128.509   25.235 -0.7143784 29.69710 
1 1 1   12   -1   37 o   64.584   16.654   58.573   27.033   36.920   30.046  150.605   61.942   53.127   18.483   98.889   25.054 -45.76191 31.13367 
1 1 1   12   -1   38 o   60.442   23.397   46.497   50.298  154.526   88.123  -5.7004   61.256   93.121   31.683   50.842   22.902 42.27883 39.09309 
1 1 1   12    0    0 o  425.918   14.125  2270.65  150.236  2298.54  212.639  2242.84  212.294  428.006   19.895  422.766   20.109 5.240051 28.28732 
1 1 1   12    0    1 o  664.883   20.755  5549.41  344.602  5518.83  487.374  5579.99  487.307  661.238   29.516  664.933   29.348 -3.694275 41.62291 
1 1 1   12    0    2 o  356.174   12.619  1587.15  112.233  1540.07  158.675  1634.29  158.769  350.002   18.218  361.080   17.608 -11.07822 25.33621 
1 1 1   12    0    3 o  438.932   14.640  2412.17  160.464  2307.73  226.871  2516.73  226.991  428.681   21.193  447.778   20.300 -19.09735 29.34683 
1 1 1   12    0    4 o  679.455   21.008  5797.56  356.440  5730.40  504.162  5864.68  504.001  673.505   29.976  681.445   29.618 -7.939575 42.14008 
1 1 1   12    0    5 o  140.653   9.3578  248.396   32.680  245.838   46.751  250.841   45.701  139.487   13.594  140.968   13.134 -1.480698 18.90234 
1 1 1   12    0    6 o  816.964   24.995  8406.21  509.918  8566.57  721.598  8246.27  720.667  821.239   35.186  805.487   35.828 15.75110 50.21701 
1 1 1   12    0    7 o  406.499   13.783  2068.93  139.908  2037.12  197.998  2100.66  197.722  402.780   19.685  409.051   19.357 -6.271271 27.60773 
1 1 1   12    0    8 o  400.434   13.684  2007.93  136.834  1963.56  193.728  2052.11  193.298  395.377   19.621  404.252   19.148 -8.875061 27.41622 
1 1 1   12    0    9 o  801.436   24.624  8101.80  492.818  7919.64  696.869  8284.04  697.031  788.124   35.408  806.423   34.613 -18.29913 49.51574 
1 1 1   12    0   10 o  116.793   9.3151  171.673   26.942  146.577   39.023  194.531   37.243  107.096   15.003  124.057   12.179 -16.96144 19.32397 
1 1 1   12    0   11 o  303.865   11.410  1155.96   86.582  1102.22  122.769  1209.14  122.124  295.805   16.688  309.996   15.829 -14.19043 23.00088 
1 1 1   12    0   12 o  185.312   9.1941  429.604   42.547  433.267   61.094  426.154   59.287  185.437   13.281  183.936   12.991 1.500259 18.57835 
1 1 1   12    0   13 o  208.608   9.5467  544.626   49.732  530.437   71.251  558.104   69.446  205.128   13.993  210.532   13.277 -5.403778 19.28974 
1 1 1   12    0   14 o  292.125   10.975  1069.22   80.061  1062.25  114.048  1075.99  112.416  290.211   15.797  292.149   15.464 -1.938171 22.10583 
1 1 1   12    0   15 o  146.278   9.1100  268.920   33.112  229.802   48.118  304.109   45.637  134.427   14.567  155.260   11.860 -20.83336 18.78482 
1 1 1   12    0   16 o  276.426   10.917  958.261   75.362  897.541  107.372  1017.22  105.801  266.344   16.221  283.870   14.978 -17.52637 22.07851 
1 1 1   12    0   17 o  336.364   17.681  1434.56  147.992  1336.66  210.740  1529.82  207.874  321.606   26.476  345.098   24.276 -23.49231 35.92080 
1 1 1   12    0   18 o  120.345   10.769  183.202   32.021  188.466   39.764  173.492   54.008  121.670   13.304  115.406   19.431 6.263412 23.54909 
1 1 1   12    0   19 o  245.343   10.324  755.415   63.254  601.338   89.668  908.036   89.244  217.405   16.643  268.536   13.308 -51.13159 21.30954 
1 1 1   12    0   20 o  349.279   12.573  1535.40  109.663  1459.01  155.233  1611.50  154.941  338.466   18.436  356.539   17.402 -18.07321 25.35188 
1 1 1   12    0   21 o  301.495   11.676  1143.13   87.905  1144.31  124.536  1141.95  124.097  300.093   16.684  299.796   16.642 0.2967224 23.56504 
1 1 1   12    0   22 o  150.641   9.3360  285.773   34.947  262.084   49.152  309.990   49.697  143.473   13.893  156.348   12.842 -12.87483 18.91932 
1 1 1   12    0   23 o  193.410   9.0792  469.246   43.851  408.422   61.202  533.408   62.860  179.391   13.767  205.452   12.309 -26.06128 18.46720 
1 1 1   12    0   24 o  195.923   13.706  486.834   66.634  504.962   89.550  464.344   99.740  198.382   18.282  189.191   21.493 9.190826 28.21666 
1 1 1   12    0   25 o  391.934   13.590  1939.62  133.007  1717.96  186.701  2168.05  189.531  365.726   20.526  412.458   18.401 -46.73160 27.56655 
1 1 1   12    0   26 o  126.192   10.054  201.369   31.420  169.000   40.344  251.268   50.091  114.716   14.401  140.192   14.519 -25.47598 20.44913 
1 1 1   12    0   27 o   80.262   12.136   83.018   23.564   74.670   28.124  102.681   43.166   75.389   15.458   87.796   20.120 -12.40646 25.37224 
1 1 1   12    0   28 o  356.568   13.013  1607.78  115.871  1507.91  160.867  1715.45  167.039  342.456   18.884  366.074   18.273 -23.61859 26.27719 
1 1 1   12    0   29 o  128.359   10.793  209.195   34.273  210.304   42.555  207.149   57.822  128.107   13.506  125.587   19.034 2.519722 23.33869 
1 1 1   12    0   30 o  125.721   22.959  213.301   69.425   0.0000   0.0000  213.301   69.425  ?   ?   125.721   22.959 0.000000 22.95940 
1 1 1   12    0   31 o  129.231   11.317  213.257   36.152  226.753   42.491  177.868   68.804  132.836   12.975  113.270   24.995 19.56611 28.16176 
1 1 1   12    0   32 o  149.860   13.125  289.305   48.624  358.911   61.463  172.874   79.492  166.307   14.960  109.394   28.730 56.91219 32.39132 
1 1 1   12    0   33 o  171.681   11.231  377.374   47.886  368.782   59.455  393.239   80.791  168.438   14.269  171.321   19.215 -2.883377 23.93425 
1 1 1   12    0   34 o   62.649   16.008   53.391   25.136   63.792   28.518   17.177   53.212   68.298   16.830   55.202   23.078 13.09693 28.56294 
1 1 1   12    0   35 o  108.078   17.937  159.584   46.712  159.584   46.712   0.0000   0.0000  108.078   17.937  ?   ?  0.000000 17.93666 
1 1 1   12    0   36 o  110.929   12.929  161.903   35.143  155.998   40.952  178.401   68.452  107.601   15.703  109.226   25.551 -1.624710 29.99085 
1 1 1   12    0   37 o   36.696   14.814   9.4928   20.958  -1.9270   22.658   77.147   55.150   33.264   14.503   72.902   25.059 -39.63815 28.95308 
1 1 1   12    0   38 o   54.391   17.303   40.597   26.447   33.935   29.349   69.378   60.999   51.466   18.239   69.880   26.061 -18.41394 31.80937 
1 1 1   12    0   39 o   93.213   24.877  137.774   58.985  110.176   97.169  153.877   74.225   80.804   32.143   95.110   28.786 -14.30648 43.14900 
1 1 1   12    1    0 o  696.069   30.743  6120.11  534.374  6001.17  755.113  6239.44  756.326  683.648   44.473  697.492   43.643 -13.84406 62.30996 
1 1 1   12    1    1 o  203.052   13.492  518.215   68.021  536.581   95.223  499.079   97.200  206.020   18.713  198.465   19.880 7.555313 27.30166 
1 1 1   12    1    2 o  745.230   32.807  7027.34  610.526  7023.67  863.016  7031.03  863.813  738.525   47.040  738.904   47.060 -0.3790894 66.53862 
1 1 1   12    1    3 o  897.908   39.217 10261.77  879.351 10513.49  1243.62 10010.08  1243.56  898.700   55.689  875.888   57.168 22.81195 79.80879 
1 1 1   12    1    4 o  411.841   19.654  2128.25  202.135  2053.20  285.138  2204.07  286.593  402.437   28.559  417.220   27.664 -14.78281 39.76061 
1 1 1   12    1    5 o  494.273   22.720  3070.99  280.426  2953.68  395.950  3189.04  397.218  481.842   33.108  501.079   31.911 -19.23700 45.98276 
1 1 1   12    1    6 o  1039.00   66.739 14335.07  1722.43   0.0000   0.0000 14335.07  1722.43  ?   ?   1039.00   66.739 0.000000 66.73886 
1 1 1   12    1    7 o  1009.44   64.850 13517.95  1626.07 13517.95  1626.07   0.0000   0.0000  1009.44   64.850  ?   ?  0.000000 64.85043 
1 1 1   12    1    8 o  504.730   23.148  3206.00  291.762  3076.23  412.015  3336.52  413.214  491.130   33.800  511.976   32.489 -20.84641 46.88232 
1 1 1   12    1    9 o  504.239   16.401  3188.13  206.521  3074.09  292.166  3302.02  291.964  494.005   23.684  512.151   22.829 -18.14667 32.89467 
1 1 1   12    1   10 o  418.151   13.679  2190.19  142.834  2199.45  202.352  2181.00  201.646  418.359   19.369  416.599   19.383 1.759888 27.40180 
1 1 1   12    1   11 o  469.991   15.479  2770.59  181.671  2708.34  257.147  2832.62  256.696  463.570   22.213  474.192   21.678 -10.62219 31.03804 
1 1 1   12    1   12 o  413.742   13.963  2146.15  144.268  2172.06  204.469  2120.46  203.586  415.390   19.712  410.400   19.865 4.989929 27.98511 
1 1 1   12    1   13 o  480.606   15.699  2900.78  188.409  2929.65  266.879  2872.09  266.023  481.605   22.191  476.814   22.342 4.791351 31.48957 
1 1 1   12    1   14 o  294.625   11.299  1087.49   83.128  982.447  117.901  1191.33  117.222  278.934   17.008  307.946   15.243 -29.01205 22.83916 
1 1 1   12    1   15 o  302.833   11.157  1149.32   84.376  1152.71  119.994  1146.02  118.668  302.282   15.953  301.427   15.820 0.8548279 22.46726 
1 1 1   12    1   16 o  329.352   12.019  1361.00   98.852  1290.93  140.419  1429.85  139.185  319.386   17.675  336.846   16.547 -17.45969 24.21128 
1 1 1   12    1   17 o  296.269   10.970  1100.96   81.158  1099.30  115.794  1102.57  113.782  294.919   15.780  295.427   15.477 -0.5078735 22.10309 
1 1 1   12    1   18 o  253.239   10.249  804.253   64.815  761.088   92.445  845.987   90.899  245.253   15.169  258.842   14.116 -13.58806 20.72113 
1 1 1   12    1   19 o  426.023   20.725  2310.50  220.482  2284.27  313.439  2336.20  310.202  418.156   30.220  423.320   29.529 -5.164276 42.25222 
1 1 1   12    1   20 o  368.372   15.023  1712.81  138.194  1627.41  169.185  1884.02  239.552  357.430   19.023  381.838   25.266 -24.40762 31.62664 
1 1 1   12    1   21 o  183.360   9.5762  422.876   43.696  439.758   62.265  406.494   61.336  186.342   13.472  179.048   13.825 7.293671 19.30340 
1 1 1   12    1   22 o  145.922   9.5446  268.270   34.588  243.762   48.838  292.934   48.993  138.254   14.355  151.945   13.038 -13.69092 19.39257 
1 1 1   12    1   23 o   81.765   11.375   85.645   22.596  114.063   30.970   53.300   33.041   94.170   13.561   64.260   19.152 29.91039 23.46671 
1 1 1   12    1   24 o  168.476   9.9520  357.606   41.684  351.757   58.139  363.792   59.795  166.333   14.131  169.140   14.291 -2.806946 20.09755 
1 1 1   12    1   25 o  209.629   10.429  552.180   54.594  563.533   76.259  540.243   78.194  210.654   14.587  206.057   15.305 4.596161 21.14296 
1 1 1   12    1   26 o  249.860   14.534  792.153   90.293  733.400  120.122  868.469  136.903  238.544   20.360  259.339   21.329 -20.79485 29.48631 
1 1 1   12    1   27 o  283.592   11.569  1012.89   81.928  972.471  113.742  1056.47  118.109  276.162   16.570  287.906   16.497 -11.74380 23.38152 
1 1 1   12    1   28 o  175.479   10.781  389.027   47.015  376.298   62.682  405.399   71.089  171.694   14.763  177.875   16.181 -6.181595 21.90394 
1 1 1   12    1   29 o   79.574   12.408   81.842   23.852   60.827   27.731  141.596   46.761   67.758   16.535  103.602   18.766 -35.84386 25.01109 
1 1 1   12    1   30 o  210.894   11.216  563.132   58.854  518.329   77.422  624.459   90.581  201.016   15.544  220.354   16.583 -19.33777 22.72939 
1 1 1   12    1   31 o  220.833   11.635  619.304   63.934  660.125   83.781  562.390   98.927  226.828   14.873  207.360   19.327 19.46780 24.38780 
1 1 1   12    1   32 o  115.671   18.016  177.466   50.344  154.693   78.212  193.577   65.784  104.119   29.004  118.920   22.984 -14.80115 37.00652 
1 1 1   12    1   33 o  102.005   12.136  134.524   30.306  119.239   35.582  174.907   57.835   94.910   15.552  113.049   21.267 -18.13880 26.34679 
1 1 1   12    1   34 o   37.882   14.150   14.488   17.997   7.0353   19.463   58.436   47.262   34.962   14.218   67.090   23.190 -32.12767 27.20139 
1 1 1   12    1   35 o  142.872   12.114  264.240   42.812  257.978   51.268  278.666   77.820  139.904   14.904  140.744   22.931 -0.8394928 27.34903 
1 1 1   12    1   36 o   72.578   15.906   71.981   28.032   68.213   31.482   86.405   61.591   70.065   17.921   77.653   26.487 -7.587814 31.98005 
1 1 1   12    1   37 o  103.029   18.686  147.642   46.305  147.642   46.305   0.0000   0.0000  103.029   18.686  ?   ?  0.000000 18.68577 
1 1 1   12    1   38 o   56.339   17.060   43.734   26.064   48.590   29.172   24.515   58.033   59.132   18.079   57.286   24.035 1.845882 30.07591 
1 1 1   12    1   39 o   40.183   16.098   13.329   24.545   26.596   27.179 -45.3485   57.157   47.285   17.443   42.943   20.287 4.341583 26.75488 
1 1 1   12    2    0 o  123.430   12.466  192.522   37.897  190.270   52.360  195.000   54.920  121.954   17.711  123.380   18.387 -1.425865 25.52957 
1 1 1   12    2    1 o  608.308   25.984  4658.74  394.720  3864.57  556.058  5465.36  560.403  549.302   40.829  655.997   34.329 -106.6956 53.34341 
1 1 1   12    2    2 o  545.527   20.130  3734.45  274.227  3646.78  474.305  3778.48  336.096  535.096   35.701  548.066   24.557 -12.97015 43.33117 
1 1 1   12    2    3 o  941.175   28.692 11173.73  674.354 11106.06  953.720 11241.39  953.642  933.431   40.916  939.221   40.660 -5.789551 57.68284 
1 1 1   12    2    4 o  682.037   21.039  5840.58  358.323  5728.16  506.686  5953.06  506.804  673.479   30.128  686.720   29.554 -13.24078 42.20293 
1 1 1   12    2    5 o  452.218   17.180  2563.06  194.009  2885.71  336.951  2403.04  237.289  477.464   28.388  437.379   21.725 40.08502 35.74741 
1 1 1   12    2    6 o  647.400   28.842  5290.44  466.279  5290.44  466.279   0.0000   0.0000  647.400   28.842  ?   ?  0.000000 28.84178 
1 1 1   12    2    7 o  639.826   19.992  5139.20  319.431  5218.42  452.081  5060.22  451.407  643.034   28.153  633.116   28.552 9.918640 40.09770 
1 1 1   12    2    8 o  524.261   23.993  3459.82  314.113  3519.56  443.898  3399.90  444.550  525.583   34.004  516.326   34.680 9.257751 48.56865 
1 1 1   12    2    9 o  262.290   14.793  864.528   96.499  805.536  135.631  925.003  137.326  252.188   21.750  270.573   20.476 -18.38492 29.87173 
1 1 1   12    2   10 o  495.458   22.777  3090.78  281.814  2940.22  398.023  3242.14  399.069  479.843   33.426  504.494   31.840 -24.65103 46.16346 
1 1 1   12    2   11 o  343.441   17.473  1484.49  149.361  1520.70  210.838  1448.02  211.622  346.300   24.540  337.722   25.276 8.578644 35.22892 
1 1 1   12    2   12 o  212.272   9.5294  563.611   50.513  562.712   72.490  564.461   70.428  211.450   13.804  211.831   13.383 -0.3805389 19.22635 
1 1 1   12    2   13 o  156.357   8.9501  306.779   34.801  327.269   50.436  288.159   48.080  161.127   12.636  151.102   12.865 10.02487 18.03243 
1 1 1   12    2   14 o  283.338   10.752  1005.21   76.078  1016.55  108.274  994.157  106.919  284.112   15.318  280.959   15.297 3.152771 21.64763 
1 1 1   12    2   15 o  560.812   18.017  3962.13  252.314  3873.35  357.041  4050.69  356.611  551.884   25.907  564.617   25.292 -12.73309 36.20617 
1 1 1   12    2   16 o  330.603   12.046  1370.88   99.445  1333.14  141.163  1408.07  140.117  324.756   17.471  333.921   16.858 -9.165222 24.27789 
1 1 1   12    2   17 o  242.189   9.8746  734.888   59.721  733.004   85.644  736.671   83.320  241.013   14.294  241.692   13.863 -0.6792145 19.91216 
1 1 1   12    2   18 o  285.043   10.979  1019.29   78.149  942.208  111.263  1094.34  109.792  272.784   16.410  294.382   14.985 -21.59836 22.22214 
1 1 1   12    2   19 o  170.026   9.1192  363.279   38.577  359.416   55.863  366.801   53.338  168.494   13.387  170.354   12.628 -1.859680 18.40328 
1 1 1   12    2   20 o  275.871   10.783  955.360   74.286  932.002  105.760  978.106  104.366  271.231   15.682  278.026   15.089 -6.795319 21.76187 
1 1 1   12    2   21 o  370.799   18.991  1751.27  175.257  1589.69  249.077  1909.70  246.643  348.745   28.860  384.075   25.867 -35.32953 38.75534 
1 1 1   12    2   22 o  249.713   12.295  784.593   76.666  776.073   93.981  801.542  132.552  247.382   15.288  249.588   21.476 -2.206253 26.36220 
1 1 1   12    2   23 o  119.144   9.6118  179.249   28.354  173.802   39.791  184.867   40.413  116.578   13.945  120.330   13.693 -3.751923 19.54406 
1 1 1   12    2   24 o  243.400   10.624  744.274   64.577  677.091   90.897  812.740   91.760  230.762   15.870  253.261   14.570 -22.49873 21.54425 
1 1 1   12    2   25 o  109.117   10.213  150.825   27.505  165.762   37.118  132.635   40.960  113.904   13.300  100.971   16.838 12.93269 21.45701 
1 1 1   12    2   26 o  107.531   10.527  146.677   27.905  137.123   36.087  160.885   44.007  103.212   14.393  111.533   16.280 -8.321136 21.73013 
1 1 1   12    2   27 o  301.358   12.515  1144.92   94.180  1234.28  132.146  1052.67  134.260  311.174   17.071  286.643   18.862 24.53091 25.44003 
1 1 1   12    2   28 o   91.415   15.387  108.724   33.878  116.435   37.550   74.985   78.548   94.416   16.529   81.543   29.718 12.87223 34.00539 
1 1 1   12    2   29 o  172.715   16.213  382.631   69.108   0.0000   0.0000  382.631   69.108  ?   ?   172.715   16.213 0.000000 16.21302 
1 1 1   12    2   30 o   82.959   15.450   90.267   30.828   90.267   30.828   0.0000   0.0000   82.959   15.450  ?   ?  0.000000 15.44965 
1 1 1   12    2   31 o  230.618   10.589  671.155   60.982  631.269   80.068  726.251   94.105  222.189   14.510  237.818   15.938 -15.62976 21.55398 
1 1 1   12    2   32 o  158.907   11.373  321.454   44.833  341.871   56.422  286.484   73.842  163.118   13.987  146.726   20.731 16.39194 25.00780 
1 1 1   12    2   33 o  186.971   15.865  454.118   73.373  434.464  110.166  469.787   98.364  177.565   25.583  187.300   21.415 -9.735229 33.36361 
1 1 1   12    2   34 o   63.696   14.821   54.417   23.131   50.370   25.938   70.139   51.123   61.148   16.572   72.480   24.131 -11.33175 29.27373 
1 1 1   12    2   35 o   91.658   14.012  110.933   31.054   96.250   36.137  152.390   60.723   83.951   17.790  103.287   24.000 -19.33575 29.87459 
1 1 1   12    2   36 o   73.807   15.035   73.562   26.771   70.473   30.458   84.052   56.127   71.561   17.247   76.979   25.268 -5.417816 30.59305 
1 1 1   12    2   37 o   71.168   15.505   69.103   26.776   52.984   30.397  124.920   56.565   61.994   18.345   92.128   24.254 -30.13444 30.41068 
1 1 1   12    2   38 o   48.772   17.757   28.137   28.035   28.137   28.035   0.0000   0.0000   48.772   17.757  ?   ?  0.000000 17.75742 
1 1 1   12    2   39 f  133.968   13.060  237.402   43.136  226.759   51.217  263.374   80.009  128.975   16.264  132.017   25.188 -3.041183 29.98277 
1 1 1   12    2   40 o   81.261   16.488   92.656   32.315  101.288   37.069   65.332   65.951   84.132   18.175   68.629   26.728 15.50311 32.32237 
1 1 1   12    3    0 o  419.761   19.904  2210.76  208.638  2112.75  294.190  2309.93  295.935  408.234   29.048  427.190   27.894 -18.95630 40.27230 
1 1 1   12    3    1 o  521.482   15.966  3406.14  207.919  3519.18  294.315  3293.52  293.771  529.281   22.268  511.930   22.980 17.35156 31.99881 
1 1 1   12    3    2 o  221.317   9.7049  612.289   53.636  593.033   76.046  631.350   75.661  217.215   14.096  224.202   13.578 -6.986923 19.57166 
1 1 1   12    3    3 o  642.880   20.059  5186.15  322.031  5045.91  455.363  5326.45  455.479  632.454   28.832  649.973   28.062 -17.51874 40.23418 
1 1 1   12    3    4 o  684.240   21.000  5878.01  358.829  5955.82  507.667  5800.32  507.256  686.895   29.596  677.775   29.970 9.120056 42.12078 
1 1 1   12    3    5 o  514.141   16.484  3311.93  211.645  3363.73  299.578  3260.32  299.045  517.276   23.192  509.214   23.517 8.061646 33.02916 
1 1 1   12    3    6 o  445.167   14.824  2481.42  164.791  2465.77  233.070  2497.06  233.029  443.121   21.063  445.940   20.926 -2.818848 29.69048 
1 1 1   12    3    7 o  362.357   12.525  1642.86  113.333  1646.36  160.410  1639.37  160.146  362.365   17.727  361.594   17.736 0.7711182 25.07575 
1 1 1   12    3    8 o  474.932   14.529  2824.53  172.309  3007.55  244.288  2643.32  243.081  489.443   19.987  458.689   21.222 30.75363 29.15212 
1 1 1   12    3    9 o  505.174   16.391  3198.84  206.770  3138.00  292.484  3259.61  292.350  499.333   23.456  508.994   23.001 -9.661194 32.85168 
1 1 1   12    3   10 o  289.839   10.791  1050.79   78.101  1080.36  110.980  1021.77  109.931  293.239   15.208  285.120   15.498 8.119781 21.71323 
1 1 1   12    3   11 o  403.585   13.733  2040.16  138.407  2035.65  196.074  2044.64  195.401  402.492   19.508  403.394   19.398 -0.9022827 27.51052 
1 1 1   12    3   12 o  656.192   29.235  5461.45  479.047  5293.84  676.945  5629.57  678.005  639.172   42.657  659.922   41.351 -20.75018 59.40967 
1 1 1   12    3   13 o  357.857   17.772  1609.34  158.816  1526.06  224.293  1693.07  224.907  346.241   26.134  365.124   24.814 -18.88312 36.03747 
1 1 1   12    3   14 o  194.817   13.065  477.859   63.191  442.960   89.342  512.793   89.388  186.558   19.464  201.127   17.987 -14.56918 26.50283 
1 1 1   12    3   15 o  243.880   10.190  744.619   62.060  695.391   88.503  792.240   87.047  234.819   15.174  250.883   13.949 -16.06412 20.61160 
1 1 1   12    3   16 o  299.488   11.266  1124.03   84.253  1158.26  119.944  1090.69  118.375  303.054   15.905  294.003   16.186 9.051025 22.69237 
1 1 1   12    3   17 o  167.908   8.9129  353.926   37.238  351.659   53.816  356.009   51.580  166.859   13.019  167.984   12.383 -1.124496 17.96737 
1 1 1   12    3   18 o  417.804   14.100  2195.54  147.109  2085.39  208.456  2304.82  207.633  404.992   20.681  426.663   19.488 -21.67172 28.41598 
1 1 1   12    3   19 o  153.257   8.8438  295.173   33.702  294.616   49.269  295.663   46.203  152.531   13.061  152.940   12.199 -0.4089508 17.87202 
1 1 1   12    3   20 o  310.024   11.374  1206.97   88.053  1175.62  125.261  1237.61  123.804  304.573   16.531  312.692   15.907 -8.118134 22.94183 
1 1 1   12    3   21 f  229.753   9.7070  662.012   55.692  753.015   79.980  576.353   77.596  244.238   13.162  213.283   14.658 30.95418 19.70016 
1 1 1   12    3   22 o   69.123   11.538   61.639   19.214   88.692   27.740   36.690   26.639   82.791   13.911   54.365   17.373 28.42636 22.25627 
1 1 1   12    3   23 o  274.691   15.686  957.029  107.156  979.487  154.206  936.058  149.011  275.636   22.602  269.514   22.342 6.122192 31.78078 
1 1 1   12    3   24 o  240.389   10.699  725.919   64.224  780.751   90.581  670.489   91.073  248.222   14.679  229.643   15.981 18.57916 21.69901 
1 1 1   12    3   25 o   87.701   10.581   97.998   22.705   81.651   30.184  119.303   34.459   78.962   15.859   96.091   14.839 -17.12921 21.71805 
1 1 1   12    3   26 o  138.385   9.3264  241.361   32.041  200.098   42.938  293.214   48.133  125.150   13.978  152.015   12.799 -26.86465 18.95207 
1 1 1   12    3   27 o  274.692   12.055  950.251   82.694  996.944  116.097  902.165  117.816  279.793   16.692  265.735   17.858 14.05804 24.44461 
1 1 1   12    3   28 o  102.556   11.806  134.171   29.684  147.279   38.089  113.894   47.373  106.939   14.648   92.483   20.993 14.45537 25.59798 
1 1 1   12    3   29 o  223.676   14.549  636.149   80.825  589.373  101.920  715.416  132.676  213.792   19.298  234.237   22.978 -20.44469 30.00709 
1 1 1   12    3   30 o  140.672   16.826  255.652   57.935  255.652   57.935   0.0000   0.0000  140.672   16.826  ?   ?  0.000000 16.82617 
1 1 1   12    3   31 o  247.210   11.343  771.506   70.025  712.862   93.736  845.560  105.335  235.845   16.011  256.740   16.517 -20.89522 23.00357 
1 1 1   12    3   32 o  130.624   11.101  217.208   35.866  215.223   44.337  220.967   61.009  129.310   13.951  129.280   19.504 0.3039551E-01 23.98050 
1 1 1   12    3   33 o   34.101   13.335   9.1341   16.469   13.375   17.874 -14.7034   42.379   37.385   14.075   43.043   19.245 -5.658592 23.84246 
1 1 1   12    3   34 o   87.464   12.764   99.643   27.058   92.581   31.355  120.243   53.551   83.429   15.624   92.889   23.165 -9.460007 27.94172 
1 1 1   12    3   35 o  133.753   17.755  238.693   57.837  187.730   91.224  272.949   74.791  111.535   31.414  140.928   21.968 -29.39233 38.33331 
1 1 1   12    3   36 o   61.495   15.303   51.238   23.406   33.464   26.293  119.095   51.374   51.438   17.307   91.515   22.611 -40.07687 28.47457 
1 1 1   12    3   37 o   48.043   16.099   29.228   22.751   26.908   25.245   39.262   52.502   47.549   16.909   60.921   23.814 -13.37234 29.20612 
1 1 1   12    3   38 o   62.912   17.266   54.757   27.947   67.461   32.046   14.413   57.106   69.474   18.240   55.252   23.541 14.22183 29.78045 
1 1 1   12    3   39 o   81.010   15.679   89.892   30.572   77.355   35.093  129.356   62.263   73.794   18.946   91.860   25.981 -18.06551 32.15544 
1 1 1   12    3   40 o   67.900   20.440   66.783   37.496   66.783   37.496   0.0000   0.0000   67.900   20.440  ?   ?  0.000000 20.43958 
1 1 1   12    4    0 o  253.554   14.125  807.189   89.079  671.161  124.303  950.796  127.719  230.142   21.893  274.724   18.729 -44.58200 28.81062 
1 1 1   12    4    1 o  568.135   16.784  4044.24  238.120  4144.04  336.943  3944.67  336.563  574.143   23.501  560.069   24.064 14.07410 33.63613 
1 1 1   12    4    2 o  608.023   19.053  4636.72  289.291  4642.69  409.198  4630.75  409.041  607.045   26.994  606.260   27.018 0.7854614 38.19225 
1 1 1   12    4    3 o  317.803   11.673  1263.20   92.636  1238.18  131.013  1288.22  131.001  313.914   16.774  320.252   16.436 -6.337280 23.48404 
1 1 1   12    4    4 o  489.591   22.619  3012.03  276.537   0.0000   0.0000  3012.03  276.537  ?   ?   489.591   22.619 0.000000 22.61876 
1 1 1   12    4    5 o  606.274   27.091  4632.03  410.145  4632.03  410.145   0.0000   0.0000  606.274   27.091  ?   ?  0.000000 27.09056 
1 1 1   12    4    6 o  476.416   15.477  2842.68  184.134  2869.23  260.528  2816.18  260.282  477.910   21.830  473.448   22.015 4.463013 31.00355 
1 1 1   12    4    7 o  802.003   24.114  8092.47  482.951  8155.08  683.180  8029.93  682.812  802.059   34.110  795.793   34.360 6.266174 48.41557 
1 1 1   12    4    8 o  438.303   13.988  2405.03  153.101  2562.04  216.936  2249.23  216.101  451.852   19.226  423.232   20.447 28.61987 28.06617 
1 1 1   12    4    9 o  501.050   16.226  3146.31  203.023  3094.19  287.245  3198.34  286.991  495.922   23.195  504.265   22.791 -8.343384 32.51790 
1 1 1   12    4   10 o  502.416   15.857  3163.60  198.943  3267.21  281.669  3060.47  281.028  509.670   22.131  493.168   22.819 16.50177 31.78838 
1 1 1   12    4   11 o  171.396   8.8486  368.236   37.744  403.707   54.206  334.854   52.586  179.187   12.187  163.024   13.026 16.16315 17.83774 
1 1 1   12    4   12 o  592.058   18.711  4403.81  276.637  4436.63  391.531  4371.10  390.917  592.439   26.465  588.004   26.623 4.434448 37.53892 
1 1 1   12    4   13 o  130.847   9.0460  215.130   29.376  211.768   42.648  218.165   40.522  129.320   13.401  131.395   12.501 -2.075989 18.32612 
1 1 1   12    4   14 o  557.796   17.889  3911.82  249.184  3871.54  352.670  3951.98  352.128  552.940   25.541  558.747   25.237 -5.807190 35.90609 
1 1 1   12    4   15 o  504.145   23.264  3215.22  292.881  3246.64  414.260  3183.82  414.133  502.219   33.219  497.168   33.553 5.051208 47.21587 
1 1 1   12    4   16 o  352.945   17.624  1568.59  155.337  1597.83  219.799  1539.41  219.560  353.870   25.035  347.169   25.504 6.701172 35.73801 
1 1 1   12    4   17 o  311.544   16.303  1225.10  126.392  1185.07  178.788  1265.09  178.702  304.573   23.693  314.981   22.875 -10.40829 32.93420 
1 1 1   12    4   18 o  244.352   10.432  748.335   63.653  644.998   90.549  849.289   89.499  225.694   16.173  259.577   13.857 -33.88208 21.29792 
1 1 1   12    4   19 o   95.193   9.1689  114.554   21.526   96.897   32.372  128.551   28.822   86.400   15.577  100.533   11.699 -14.13293 19.48110 
1 1 1   12    4   20 o  447.327   14.878  2521.93  166.200  2454.24  235.622  2588.96  234.468  439.067   21.490  451.228   20.808 -12.16110 29.91316 
1 1 1   12    4   21 o   95.698   9.2909  115.865   21.923  106.868   32.434  123.434   29.748   90.929   14.792   98.324   12.391 -7.395668 19.29626 
1 1 1   12    4   22 o  147.944   8.7874  275.254   32.319  278.678   46.909  272.160   44.590  148.279   12.794  146.605   12.293 1.673523 17.74290 
1 1 1   12    4   23 o  184.913   9.1747  428.725   42.365  374.058   60.425  481.579   59.415  171.647   14.225  195.286   12.245 -23.63831 18.76988 
1 1 1   12    4   24 o  172.717   9.6608  375.424   41.501  434.498   59.169  318.224   58.223  185.317   12.866  158.056   14.928 27.26057 19.70729 
1 1 1   12    4   25 o  145.302   14.038  268.775   50.301  291.937   76.263  250.940   66.921  149.818   20.958  139.006   19.842 10.81226 28.86084 
1 1 1   12    4   26 o  194.850   9.9931  477.885   48.461  500.603   67.632  453.913   69.473  198.750   13.711  188.964   14.842 9.785873 20.20563 
1 1 1   12    4   27 o  280.796   12.133  992.767   85.076  1131.30  119.804  851.849  120.833  298.374   16.139  257.928   18.892 40.44611 24.84675 
1 1 1   12    4   28 o  239.127   12.724  722.898   75.706  843.813  124.112  651.248   95.538  256.345   19.535  225.803   17.069 30.54208 25.94211 
1 1 1   12    4   29 o   58.194   15.406   44.449   22.741   49.210   23.732  -9.0051   79.520   61.144   15.517   62.271   27.159 -1.126953 31.27891 
1 1 1   12    4   30 o  296.405   12.388  1108.73   91.697  1148.66  126.647  1064.74  132.939  299.848   16.984  288.007   18.583 11.84116 25.17501 
1 1 1   12    4   31 o  243.852   16.033  760.594   97.085  755.643  121.074  769.512  162.484  241.348   20.277  239.831   27.636 1.517273 34.27669 
1 1 1   12    4   32 o  128.486   10.969  209.883   34.856  186.128   42.696  257.354   60.357  120.105   14.531  140.576   17.578 -20.47127 22.80643 
1 1 1   12    4   33 o   85.188   13.131   94.340   27.037  106.210   31.997   64.712   50.553   90.078   14.734   71.318   23.998 18.76065 28.16000 
1 1 1   12    4   34 o   27.914   11.905   0.0698   14.629   2.1002   15.620 -14.4259   41.735   29.771   12.479   42.668   19.086 -12.89680 22.80366 
1 1 1   12    4   35 o   64.007   15.323   55.027   24.167   51.876   27.386   66.112   51.372   62.068   17.115   71.095   24.190 -9.026917 29.63267 
1 1 1   12    4   36 f   79.833   14.158   84.637   27.192   88.672   31.429   72.621   54.232   81.136   16.080   73.350   24.855 7.786438 29.60292 
1 1 1   12    4   37 o   50.447   20.776   16.271   42.226   65.232   78.380  -3.7505   50.122   74.315   29.084   48.679   21.387 25.63600 36.10077 
1 1 1   12    4   38 o   93.236   14.354  115.832   32.347  140.098   37.960   51.489   61.813  102.291   15.333   66.734   25.908 35.55756 30.10500 
1 1 1   12    4   39 o   47.392   16.591   27.654   24.228   36.001   27.051  -6.1966   54.473   52.512   17.555   49.463   21.987 3.049107 28.13538 
1 1 1   12    4   40 o   49.609   17.290   31.221   26.299   30.366   29.675   34.352   56.772   50.135   18.267   59.496   24.248 -9.361168 30.35899 
1 1 1   12    4   41 o   52.095   18.550   34.957   30.395   21.697   34.250   84.108   65.942   47.796   19.061   74.481   27.216 -26.68578 33.22740 
1 1 1   12    5    0 o  158.047   8.8980  313.184   34.975  309.056   49.440  317.320   49.485  156.653   12.749  158.766   12.585 -2.112488 17.91386 
1 1 1   12    5    1 o  237.517   9.9414  705.254   58.965  708.881   83.491  701.644   83.287  237.559   14.138  236.336   14.178 1.223083 20.02221 
1 1 1   12    5    2 o  243.941   10.184  743.964   62.039  717.368   87.689  770.618   87.784  238.917   14.770  247.711   14.251 -8.794296 20.52447 
1 1 1   12    5    3 o  464.145   15.230  2697.66  176.524  2670.93  249.688  2724.37  249.597  461.155   21.682  465.774   21.459 -4.618347 30.50587 
1 1 1   12    5    4 o  859.426   25.930  9300.20  556.487  8858.16  786.427  9743.52  787.559  834.857   37.722  876.275   35.991 -41.41827 52.13728 
1 1 1   12    5    5 o  442.762   14.599  2454.33  161.413  2438.46  228.302  2470.20  228.244  440.723   20.744  443.599   20.604 -2.875824 29.23788 
1 1 1   12    5    6 o  488.991   15.867  2995.19  193.753  3053.97  274.136  2936.52  273.881  492.996   22.268  483.365   22.690 9.630798 31.79123 
1 1 1   12    5    7 o  867.935   26.603  9492.98  576.598  9571.89  815.613  9414.14  815.252  867.548   37.648  860.243   37.951 7.305298 53.45665 
1 1 1   12    5    8 f  683.398   21.313  5867.00  363.727  5870.31  514.504  5863.70  514.272  681.498   30.232  681.113   30.236 0.3847046 42.75758 
1 1 1   12    5    9 o  590.622   18.685  4376.78  275.584  4499.95  390.071  4254.04  389.400  597.485   26.144  580.781   26.849 16.70477 37.47494 
1 1 1   12    5   10 o  627.450   19.608  4943.41  307.235  4994.24  434.736  4892.69  434.255  628.915   27.681  622.423   27.939 6.491577 39.32965 
1 1 1   12    5   11 o  605.365   19.131  4601.98  289.206  4647.04  409.226  4557.02  408.773  606.600   27.015  600.636   27.253 5.963928 38.37415 
1 1 1   12    5   12 o  462.669   14.976  2683.01  173.028  2749.42  245.079  2617.01  244.320  467.501   20.993  456.029   21.454 11.47156 30.01654 
1 1 1   12    5   13 o  650.281   20.207  5320.38  328.142  5385.31  464.381  5255.62  463.747  651.776   28.532  643.772   28.847 8.003967 40.57327 
1 1 1   12    5   14 o  389.604   13.453  1902.39  130.885  1923.85  185.547  1881.13  184.654  391.067   19.000  386.682   19.123 4.385376 26.95708 
1 1 1   12    5   15 o  665.241   20.836  5581.28  346.129  5657.69  489.945  5505.14  489.058  666.476   29.438  657.270   29.797 9.205383 41.88611 
1 1 1   12    5   16 o  661.775   20.795  5529.70  343.659  5626.71  486.462  5433.04  485.553  663.904   29.342  652.146   29.815 11.75806 41.83214 
1 1 1   12    5   17 o  350.164   12.570  1538.06  109.918  1515.28  155.983  1560.53  154.919  346.245   18.103  351.482   17.707 -5.236847 25.32319 
1 1 1   12    5   18 o   84.919   12.827   92.530   26.352   83.825   38.076  100.533   36.509   79.871   19.304   87.810   17.265 -7.939308 25.89852 
1 1 1   12    5   19 o  396.996   19.231  1994.77  190.652  1898.37  269.583  2091.23  269.661  383.307   28.366  403.047   26.948 -19.74042 39.12519 
1 1 1   12    5   20 o  316.427   11.725  1257.17   92.648  1223.20  131.783  1290.36  130.277  310.708   17.050  319.323   16.393 -8.614655 23.65206 
1 1 1   12    5   21 o  167.256   9.1789  351.627   38.191  287.948   55.065  410.648   53.013  150.422   14.853  180.417   11.832 -29.99568 18.99016 
1 1 1   12    5   22 o  199.725   9.3734  500.101   46.750  464.076   67.118  534.048   65.154  191.392   14.143  205.650   12.750 -14.25848 19.04186 
1 1 1   12    5   23 o   97.321   9.5476  119.909   22.905   92.292   33.130  145.195   31.701   84.031   16.377  106.787   12.102 -22.75552 20.36289 
1 1 1   12    5   24 o  290.249   10.526  1057.77   76.294  1032.59  108.568  1082.33  107.237  285.501   15.283  292.463   14.731 -6.962036 21.22672 
1 1 1   12    5   25 o  181.908   9.2249  416.055   41.768  437.460   59.309  394.993   58.831  185.947   12.851  176.533   13.446 9.414047 18.60020 
1 1 1   12    5   26 o  209.779   9.4687  552.116   49.602  546.424   69.874  557.899   70.426  207.748   13.543  209.935   13.505 -2.186966 19.12599 
1 1 1   12    5   27 o  145.749   14.361  270.773   51.589  325.587   80.463  232.513   67.224  158.316   20.861  133.381   20.867 24.93561 29.50558 
1 1 1   12    5   28 o  177.102   14.895  399.355   65.263   0.0000   0.0000  399.355   65.263  ?   ?   177.102   14.895 0.000000 14.89517 
1 1 1   12    5   29 o  101.931   12.265  132.754   30.592  148.443   36.475   95.542   56.175  107.539   13.908   84.986   24.879 22.55269 28.50317 
1 1 1   12    5   30 o  165.863   11.233  347.902   46.251  379.121   61.772  308.073   69.773  172.480   14.476  154.325   18.472 18.15529 23.46830 
1 1 1   12    5   31 o  117.724   12.381  176.851   35.851  219.699   45.735  108.557   57.741  130.944   14.215   89.799   24.887 41.14480 28.66085 
1 1 1   12    5   32 o   39.386   13.928   17.224   17.106   28.652   18.788 -38.1705   41.366   47.407   14.511   37.841   17.680 9.565926 22.87289 
1 1 1   12    5   33 o   60.088   16.754   47.721   26.086   52.159   26.625 -58.5493  130.284   62.664   16.709   71.226   32.596 -8.561665 36.62936 
1 1 1   12    5   34 o   83.255   13.722   90.642   27.534  104.802   32.678   55.976   51.129   89.255   15.206   68.007   24.076 21.24792 28.47601 
1 1 1   12    5   35 o   28.282   12.161  -0.8194   15.493   2.2235   16.644 -20.5716   42.405   30.677   12.872   41.581   18.862 -10.90406 22.83515 
1 1 1   12    5   36 o   66.274   15.109   59.035   24.450   67.914   27.989   30.432   50.234   70.911   16.165   58.372   23.146 12.53940 28.23174 
1 1 1   12    5   37 o   43.447   15.398   21.935   20.920   23.025   23.173   17.134   48.634   44.941   16.177   53.514   22.192 -8.573830 27.46174 
1 1 1   12    5   38 o   62.412   22.423   49.065   44.505   10.289   82.486   64.990   52.860   63.245   27.620   69.728   24.501 -6.483002 36.92081 
1 1 1   12    5   39 o  191.960   12.537  478.929   59.768  491.311   73.203  454.170  103.515  192.577   15.349  178.194   23.862 14.38277 28.37232 
1 1 1   12    5   40 o   74.491   16.632   76.883   30.156   80.877   34.806   64.861   60.389   75.703   18.556   69.607   25.936 6.096458 31.89039 
1 1 1   12    5   41 o   72.340   17.903   74.229   32.167   87.670   37.653   37.919   61.886   78.038   19.404   61.459   25.213 16.57916 31.81529 
1 1 1   12    6    0 o  447.554   21.036  2515.12  235.107  2506.17  331.666  2524.16  333.324  444.479   30.058  446.069   30.100 -1.590363 42.53784 
1 1 1   12    6    1 o  1210.45   36.696 18607.20  1109.23 18482.92  1568.61 18731.50  1568.77  1195.91   52.525  1204.20   52.169 -8.290527 74.03006 
1 1 1   12    6    2 o  365.561   12.491  1671.85  114.030  1692.52  161.256  1651.19  161.268  367.459   17.573  362.927   17.794 4.532532 25.00923 
1 1 1   12    6    3 f  302.060   16.178  1146.23  121.586   0.0000   0.0000  1146.23  121.586  ?   ?   302.060   16.178 0.000000 16.17774 
1 1 1   12    6    4 o  214.435   11.123  576.574   59.358  536.000   72.692  657.763  102.829  206.444   14.187  228.328   18.185 -21.88402 23.06439 
1 1 1   12    6    5 o  476.765   15.663  2847.01  186.474  2863.74  263.805  2830.30  263.624  477.422   22.127  474.611   22.243 2.810974 31.37480 
1 1 1   12    6    6 o  399.098   11.816  1992.34  117.760  2073.71  166.838  1911.55  166.239  406.825   16.422  390.543   17.046 16.28226 23.66961 
1 1 1   12    6    7 o  477.566   15.647  2856.81  186.596  2920.41  264.081  2793.40  263.694  482.106   21.935  471.443   22.399 10.66315 31.35045 
1 1 1   12    6    8 o  155.756   8.6129  304.134   33.370  330.299   47.661  278.973   46.737  162.061   11.859  148.775   12.702 13.28586 17.37740 
1 1 1   12    6    9 o  357.565   12.667  1599.93  113.104  1589.88  160.059  1609.96  159.849  355.575   18.086  358.289   17.866 -2.714661 25.42201 
1 1 1   12    6   10 o  398.986   13.470  1992.90  134.206  1927.09  189.858  2058.61  189.733  391.788   19.406  405.010   18.760 -13.22168 26.99080 
1 1 1   12    6   11 o  367.355   12.819  1689.26  117.592  1702.96  166.590  1675.65  166.013  368.376   18.109  365.403   18.194 2.973541 25.67023 
1 1 1   12    6   12 o  491.922   16.082  3034.51  197.553  3011.15  279.528  3057.82  279.238  488.946   22.894  492.758   22.693 -3.811768 32.23483 
1 1 1   12    6   13 o  517.858   16.748  3365.66  216.577  3385.30  306.558  3346.09  306.014  518.040   23.697  515.010   23.794 3.030334 33.58181 
1 1 1   12    6   14 o  353.347   12.283  1563.67  108.378  1617.27  153.858  1510.88  152.686  358.832   17.170  346.319   17.715 12.51263 24.67031 
1 1 1   12    6   15 o  678.760   21.277  5810.93  360.637  5805.37  510.315  5816.47  509.721  674.963   30.277  675.637   30.211 -0.6742554 42.77144 
1 1 1   12    6   16 o  525.312   17.039  3470.63  223.512  3413.57  316.395  3527.48  315.794  519.004   24.412  527.734   23.963 -8.729736 34.20782 
1 1 1   12    6   17 o  468.426   15.462  2758.12  180.863  2822.56  256.320  2694.23  255.242  472.329   21.731  461.347   22.155 10.98154 31.03388 
1 1 1   12    6   18 o  420.285   13.982  2219.18  146.747  2323.38  208.295  2116.50  206.777  428.804   19.452  409.067   20.242 19.73767 28.07372 
1 1 1   12    6   19 o  386.334   13.083  1874.91  126.213  1997.68  179.378  1754.53  177.620  397.695   18.062  371.959   19.188 25.73578 26.35182 
1 1 1   12    6   20 o  349.746   14.647  1540.18  127.926  1494.26  157.456  1629.37  219.419  343.179   18.441  356.152   24.826 -12.97287 30.92600 
1 1 1   12    6   21 o  238.816   13.832  720.268   82.136  837.442  116.628  604.962  115.694  256.521   18.327  216.946   21.644 39.57538 28.36139 
1 1 1   12    6   22 o  139.150   9.9583  244.076   34.375  240.402   57.882  246.078   42.725  136.783   17.335  139.360   12.407 -2.576401 21.31712 
1 1 1   12    6   23 o   97.392   9.0147  119.894   21.675  120.651   31.965  119.248   29.491   96.960   13.574   96.579   12.523 0.3808670 18.46836 
1 1 1   12    6   24 o  221.240   9.3675  613.804   51.753  619.835   74.255  608.107   72.170  221.410   13.495  219.349   13.238 2.060623 18.90327 
1 1 1   12    6   25 o  176.054   9.5651  389.947   41.894  395.951   59.750  384.140   58.757  176.726   13.645  174.059   13.627 2.667099 19.28382 
1 1 1   12    6   26 o  332.975   11.911  1394.67   99.037  1419.68  140.502  1369.96  139.621  334.296   16.885  328.306   17.089 5.989441 24.02405 
1 1 1   12    6   27 o  304.866   10.998  1168.09   83.725  1081.01  118.262  1255.59  118.549  291.712   16.300  315.181   15.062 -23.46906 22.19345 
1 1 1   12    6   28 o  246.114   10.236  760.767   62.910  778.521   87.678  741.928   90.316  247.899   14.223  241.780   15.033 6.119675 20.69503 
1 1 1   12    6   29 o  205.200   14.844  535.271   75.549  539.401  113.393  531.975  101.310  203.625   22.686  203.026   20.253 0.5990906 30.41060 
1 1 1   12    6   30 o  212.539   11.377  570.214   60.164  614.602   82.181  518.948   88.319  219.801   15.063  201.139   17.766 18.66264 23.29255 
1 1 1   12    6   31 o   82.213   13.112   87.441   26.015  117.790   31.956   27.804   44.797   95.556   13.791   56.904   22.065 38.65179 26.02075 
1 1 1   12    6   32 o  149.568   10.692  283.225   39.670  289.253   50.835  273.838   63.439  150.510   13.675  145.275   17.863 5.234512 22.49654 
1 1 1   12    6   33 o  136.570   10.917  236.891   36.920  244.606   46.198  223.254   61.421  138.168   13.564  130.175   19.495 7.993454 23.74938 
1 1 1   12    6   34 o   37.120   13.810   13.632   17.108   12.754   18.684   18.190   42.561   37.580   14.333   52.278   21.108 -14.69783 25.51428 
1 1 1   12    6   35 o  115.001   16.979  174.497   47.293  174.497   47.293   0.0000   0.0000  115.001   16.979  ?   ?  0.000000 16.97881 
1 1 1   12    6   36 o   82.365   14.383   89.679   28.506  106.668   33.535   45.436   54.118   89.633   15.546   64.505   24.443 25.12865 28.96765 
1 1 1   12    6   37 o   40.414   14.847   17.433   19.660   12.197   21.699   41.434   46.458   38.834   15.271   60.626   22.718 -21.79271 27.37327 
1 1 1   12    6   38 o   82.418   14.975   91.003   29.685  101.623   34.964   63.581   56.184   86.533   16.786   69.994   25.189 16.53926 30.26962 
1 1 1   12    6   39 o  153.693   12.950  307.793   49.238  332.977   60.318  257.497   85.242  158.546   15.430  131.932   26.788 26.61444 30.91438 
1 1 1   12    6   40 o   37.756   17.674 -33.9843   41.666   63.559   86.193 -63.7289   47.597   73.912   29.970   36.372   17.539 37.54069 34.72486 
1 1 1   12    6   41 o   93.551   15.157  118.670   34.197   89.833   40.438  191.061   64.070   78.885   20.382  113.897   23.311 -35.01274 30.96552 
1 1 1   12    6   42 o   52.252   18.130   35.825   28.902   32.710   33.139   45.725   59.075   51.854   19.235   62.532   25.001 -10.67809 31.54433 
1 1 1   12    7    0 o   51.728   15.287   33.981   21.120   22.720   25.971   55.965   36.288   47.103   17.100   66.573   20.123 -19.47050 26.40732 
1 1 1   12    7    1 o  527.010   16.969  3480.79  223.319  3411.35  315.738  3550.31  315.903  520.712   24.282  531.289   23.811 -10.57697 34.00809 
1 1 1   12    7    2 o  335.399   17.324  1413.74  144.603   0.0000   0.0000  1413.74  144.603  ?   ?   335.399   17.324 0.000000 17.32409 
1 1 1   12    7    3 o  351.821   17.763  1555.68  155.557  1555.68  155.557   0.0000   0.0000  351.821   17.763  ?   ?  0.000000 17.76333 
1 1 1   12    7    4 o  415.506   14.016  2161.10  145.427  2180.55  205.721  2141.67  205.610  416.852   19.763  413.101   19.931 3.750793 28.06822 
1 1 1   12    7    5 o  476.095   15.386  2838.82  182.927  2893.76  258.775  2783.95  258.621  479.969   21.590  470.719   22.001 9.249237 30.82539 
1 1 1   12    7    6 o  750.610   22.930  7083.18  429.800  7202.03  608.046  6964.49  607.612  754.355   32.278  741.646   32.808 12.70947 46.02441 
1 1 1   12    7    7 o  682.683   21.184  5853.83  361.135  5749.48  510.659  5958.24  510.786  674.478   30.319  686.758   29.784 -12.28082 42.50087 
1 1 1   12    7    8 o  192.611   9.0398  463.729   43.480  505.351   61.835  423.024   61.150  200.589   12.405  183.351   13.449 17.23811 18.29709 
1 1 1   12    7    9 o  581.165   18.458  4237.29  267.882  4225.89  378.924  4248.67  378.759  578.987   26.208  580.563   26.125 -1.575867 37.00529 
1 1 1   12    7   10 o  836.106   25.690  8812.73  536.388  8888.19  758.752  8737.34  758.381  835.685   36.359  828.433   36.659 7.251953 51.63158 
1 1 1   12    7   11 o  690.563   21.460  5996.57  370.066  6083.79  523.608  5909.51  523.098  693.157   30.250  683.024   30.669 10.13312 43.07698 
1 1 1   12    7   12 o  426.726   14.318  2281.35  152.574  2325.34  216.044  2237.58  215.500  430.113   20.115  421.870   20.456 8.242950 28.68862 
1 1 1   12    7   13 o  535.235   17.146  3595.95  229.171  3608.71  324.316  3583.23  323.878  534.762   24.286  532.858   24.340 1.903992 34.38380 
1 1 1   12    7   14 o  601.140   18.797  4543.72  282.178  4631.28  399.410  4456.46  398.710  604.844   26.444  593.171   26.917 11.67236 37.73331 
1 1 1   12    7   15 f  475.055   15.367  2832.37  182.303  2960.55  258.362  2705.26  257.273  484.526   21.353  462.968   22.253 21.55829 30.84090 
1 1 1   12    7   16 o  395.664   13.612  1963.52  134.496  1988.05  190.688  1939.23  189.728  397.239   19.223  392.304   19.367 4.934784 27.28727 
1 1 1   12    7   17 o  793.491   24.658  7992.09  488.604  8045.08  691.389  7939.23  690.594  789.549   35.067  784.192   35.265 5.356689 49.73243 
1 1 1   12    7   18 o  268.885   10.513  905.787   70.590  950.281  100.779  862.932   98.907  274.572   14.752  261.531   15.210 13.04105 21.18910 
1 1 1   12    7   19 o  234.889   9.9345  691.225   58.272  699.487   83.383  683.338   81.470  235.447   14.249  232.731   14.084 2.715622 20.03509 
1 1 1   12    7   20 o  351.993   12.368  1556.01  108.712  1635.67  154.637  1478.17  152.864  359.916   17.205  341.517   17.988 18.39886 24.89128 
1 1 1   12    7   21 o  183.068   9.2838  421.019   42.303  398.838   61.030  441.530   58.688  177.488   13.880  187.009   12.641 -9.521774 18.77409 
1 1 1   12    7   22 o  241.636   10.203  732.405   61.568  719.394   88.009  744.875   86.161  238.418   14.856  242.741   14.277 -4.322708 20.60415 
1 1 1   12    7   23 o  260.897   14.419  860.669   93.579  750.979  131.637  972.735  133.056  241.582   22.064  276.051   19.425 -34.46890 29.39673 
1 1 1   12    7   24 o  109.433   11.867  152.280   31.910  131.982   43.416  176.130   47.060  100.583   17.943  116.875   16.590 -16.29199 24.43730 
1 1 1   12    7   25 o  239.471   10.396  719.919   62.167  774.379   88.948  667.911   86.923  247.330   14.465  229.457   15.257 17.87296 21.02368 
1 1 1   12    7   26 o  113.826   9.2117  163.530   25.959  179.146   36.751  147.980   36.673  118.646   12.597  107.446   14.001 11.20049 18.83343 
1 1 1   12    7   27 o  164.720   13.609  344.371   55.479   0.0000   0.0000  344.371   55.479  ?   ?   164.720   13.609 0.000000 13.60950 
1 1 1   12    7   28 o  289.078   16.179  1061.59  116.326  1061.59  116.326   0.0000   0.0000  289.078   16.179  ?   ?  0.000000 16.17927 
1 1 1   12    7   29 o  247.137   10.388  767.340   64.110  795.591   89.671  737.799   91.694  250.536   14.393  240.995   15.316 9.541214 21.01778 
1 1 1   12    7   30 o  224.841   11.179  636.006   62.766  710.449   86.504  553.238   91.213  236.544   14.717  207.800   17.748 28.74353 23.05614 
1 1 1   12    7   31 o  114.084   16.911  168.936   46.718  174.951   78.325  165.615   58.205  113.351   27.867  111.698   21.649 1.653107 35.28796 
1 1 1   12    7   32 o  148.227   10.443  277.881   38.407  267.298   49.154  294.470   61.541  144.676   13.772  151.196   16.571 -6.519547 21.54651 
1 1 1   12    7   33 o   53.724   14.257   37.960   19.443   37.012   22.016   41.320   41.450   53.361   15.562   60.445   21.648 -7.083752 26.66096 
1 1 1   12    7   34 o  107.641   11.196  148.018   29.653  145.913   35.627  152.765   53.498  106.260   13.749  106.654   20.834 -0.3940887 24.96141 
1 1 1   12    7   35 o  139.240   11.824  247.797   40.725  253.954   49.421  234.770   71.885  140.232   14.313  131.585   22.696 8.647354 26.83282 
1 1 1   12    7   36 o   51.660   15.515   34.904   21.623   41.110   24.273   11.049   47.591   55.762   16.363   52.008   21.791 3.754379 27.25018 
1 1 1   12    7   37 o   88.714   17.819  106.631   38.105  106.631   38.105   0.0000   0.0000   88.714   17.819  ?   ?  0.000000 17.81935 
1 1 1   12    7   38 o   77.056   14.626   79.395   27.114   82.988   31.703   69.609   52.320   78.142   16.750   71.834   24.412 6.308380 29.60615 
1 1 1   12    7   39 o  143.860   12.602  268.819   44.817  306.260   54.717  192.497   78.121  152.679   14.526  113.365   27.807 39.31377 31.37227 
1 1 1   12    7   40 f   52.988   16.971   37.141   25.408   39.923   29.023   28.015   52.569   55.087   18.174   57.401   23.357 -2.313560 29.59494 
1 1 1   12    7   41 o  112.566   14.552  169.245   39.949  194.745   48.836  117.671   69.452  119.630   16.811   87.270   28.070 32.35921 32.71896 
1 1 1   12    7   42 o   82.049   24.388  102.280   53.633  140.870  105.845   88.948   62.211   90.753   34.233   76.737   26.601 14.01589 43.35323 
1 1 1   12    8    0 o  345.960   17.151  1500.36  148.175  1374.46  208.002  1630.09  211.134  329.379   25.487  359.201   23.671 -29.82184 34.78327 
1 1 1   12    8    1 o  391.364   13.467  1917.05  131.617  1853.38  186.000  1980.91  186.270  383.818   19.470  397.376   18.771 -13.55765 27.04493 
1 1 1   12    8    2 o  239.682   10.027  718.239   60.013  715.123   84.720  721.377   85.022  238.573   14.286  239.619   14.274 -1.045334 20.19486 
1 1 1   12    8    3 o  276.480   10.968  955.953   75.727  961.255  107.028  950.639  107.160  276.589   15.559  275.041   15.667 1.548218 22.08015 
1 1 1   12    8    4 o  851.161   25.506  9123.42  542.129  8948.10  766.451  9298.96  766.921  839.177   36.575  855.747   35.888 -16.57001 51.24144 
1 1 1   12    8    5 o  449.250   14.327  2526.84  160.727  2547.29  227.326  2506.39  227.277  450.461   20.209  446.811   20.370 3.649963 28.69351 
1 1 1   12    8    6 o  188.759   8.9367  445.346   42.125  450.441   59.663  440.281   59.484  189.310   12.694  187.142   12.806 2.167480 18.03113 
1 1 1   12    8    7 o  703.633   21.246  6219.55  373.316  6361.59  528.211  6077.80  527.687  709.538   29.811  693.345   30.477 16.19281 42.63311 
1 1 1   12    8    8 o  238.098   10.124  708.839   60.194  693.370   85.199  724.257   85.056  234.858   14.599  240.088   14.251 -5.230453 20.40152 
1 1 1   12    8    9 f  1029.18   31.259 13409.08  803.361 13533.10  1136.34 13285.15  1135.91  1026.84   44.315  1017.14   44.721 9.704590 62.95878 
1 1 1   12    8   10 o  849.115   26.018  9092.43  551.689  9092.61  780.321  9092.25  780.091  844.860   36.986  844.848   36.976 0.1177979E-01 52.29880 
1 1 1   12    8   11 o  902.275   27.664 10285.97  623.308 10221.44  881.478 10350.52  881.503  893.995   39.484  899.758   39.233 -5.762573 55.66162 
1 1 1   12    8   12 o  374.745   13.014  1758.39  121.787  1826.55  172.552  1690.73  171.917  381.437   18.115  366.423   18.852 15.01389 26.14507 
1 1 1   12    8   13 o  521.857   16.702  3417.50  217.661  3499.23  308.169  3336.15  307.472  526.783   23.426  514.248   23.943 12.53479 33.49740 
1 1 1   12    8   14 o  943.701   28.982 11304.30  682.983 11242.31  965.926 11366.28  965.841  933.173   41.451  938.481   41.213 -5.307373 58.45193 
1 1 1   12    8   15 o  368.542   12.660  1701.79  116.508  1751.69  165.191  1652.39  164.347  373.286   17.721  362.031   18.237 11.25549 25.42918 
1 1 1   12    8   16 o  502.056   16.341  3167.46  204.866  3169.46  290.103  3165.46  289.346  500.589   23.207  500.286   23.161 0.3031921 32.78684 
1 1 1   12    8   17 f  450.165   14.918  2545.36  167.703  2621.25  237.709  2470.16  236.632  455.528   20.897  442.072   21.435 13.45660 29.93572 
1 1 1   12    8   18 o  203.591   9.4017  518.906   47.799  519.358   68.604  518.480   66.634  202.935   13.616  202.819   13.229 0.1160583 18.98447 
1 1 1   12    8   19 o  285.446   11.073  1021.54   78.931  1014.27  112.438  1028.60  110.831  283.366   15.955  285.438   15.608 -2.072449 22.31952 
1 1 1   12    8   20 o  369.866   12.842  1718.57  118.615  1776.05  168.577  1662.22  166.929  374.895   18.007  362.104   18.523 12.79181 25.83284 
1 1 1   12    8   21 o  210.428   9.2807  554.816   48.768  615.581   70.473  498.977   67.556  220.936   12.829  198.688   13.700 22.24760 18.76837 
1 1 1   12    8   22 o  163.114   8.6467  334.216   35.095  355.463   51.405  315.667   48.029  167.722   12.361  158.017   12.268 9.705200 17.41504 
1 1 1   12    8   23 o  184.720   9.1012  427.660   41.982  409.918   60.555  444.080   58.255  179.932   13.577  187.508   12.513 -7.575912 18.46369 
1 1 1   12    8   24 o  219.914   9.6768  606.555   53.142  618.532   76.189  595.207   74.159  221.133   13.867  216.929   13.761 4.204102 19.53640 
1 1 1   12    8   25 o  410.766   19.956  2148.33  204.704  2247.62  288.915  2048.24  290.078  415.441   28.013  395.573   29.580 19.86859 40.73886 
1 1 1   12    8   26 o  208.458   13.278  549.605   68.761  538.465   94.934  561.899   99.730  205.028   18.750  209.323   19.296 -4.294922 26.90520 
1 1 1   12    8   27 o  286.050   10.875  1027.97   77.681  1076.52  110.600  980.701  109.129  291.480   15.248  278.023   15.783 13.45706 21.94573 
1 1 1   12    8   28 o  243.793   11.136  747.071   67.796  930.421   96.241  566.464   95.519  271.130   14.265  210.333   18.370 60.79703 23.25804 
1 1 1   12    8   29 o  122.351   10.097  189.241   30.573  234.103   41.469  135.824   45.251  135.799   12.364  101.833   18.475 33.96525 22.23033 
1 1 1   12    8   30 o  308.773   11.435  1199.63   88.174  1239.52  123.668  1158.39  125.752  312.359   15.907  301.652   16.760 10.70731 23.10704 
1 1 1   12    8   31 o  292.119   11.985  1075.18   87.424  1137.81  121.896  1008.85  125.453  298.907   16.393  280.843   17.983 18.06400 24.33343 
1 1 1   12    8   32 o  193.903   9.6374  472.514   46.665  470.621   61.660  475.052   71.394  192.605   12.894  193.000   14.930 -0.3944397 19.72703 
1 1 1   12    8   33 o  155.881   15.455  312.060   59.369  301.870   94.973  318.596   76.062  149.487   26.407  156.113   19.968 -6.625977 33.10725 
1 1 1   12    8   34 o  129.306   10.995  212.620   35.165  218.507   43.983  202.190   58.547  130.456   13.706  123.673   19.612 6.782730 23.92656 
1 1 1   12    8   35 o  209.187   12.188  557.218   63.392  569.034   78.209  534.589  108.236  210.367   14.986  200.587   21.967 9.780426 26.59199 
1 1 1   12    8   36 o   53.807   15.396   38.222   21.733   43.906   24.580   17.856   46.528   57.514   16.344   53.625   21.915 3.889580 27.33811 
1 1 1   12    8   37 f  116.345   12.058  174.542   34.523  159.967   41.658  206.500   61.686  110.172   15.576  123.169   20.796 -12.99707 25.98275 
1 1 1   12    8   38 f   61.743   16.026   51.596   24.925   44.716   27.957   78.247   55.025   57.926   17.697   75.541   25.030 -17.61573 30.65379 
1 1 1   12    8   39 o  192.385   19.466  500.856   92.232  500.856   92.232   0.0000   0.0000  192.385   19.466  ?   ?  0.000000 19.46610 
1 1 1   12    8   40 o   58.036   16.958   45.777   26.120   44.940   30.092   48.332   52.598   57.934   18.460   63.825   24.118 -5.891228 30.37216 
1 1 1   12    8   41 o   97.702   14.963  128.124   35.344  122.195   42.289  141.863   64.371   93.619   18.743   96.966   26.036 -3.346283 32.08030 
1 1 1   12    8   42 o   41.021   16.500   13.005   25.902   6.9558   29.809   31.645   52.329   40.845   17.186   57.612   23.355 -16.76662 28.99697 
1 1 1   12    8   43 o   76.102   18.260   82.781   34.257   56.107   41.072  143.756   62.099   63.118   21.629   95.934   25.488 -32.81549 33.42858 
1 1 1   12    9    0 o  550.940   24.663  3822.52  339.320  3541.12  478.293  4107.67  481.464  526.382   36.615  567.946   34.105 -41.56390 50.03805 
1 1 1   12    9    1 o  1032.22   66.457 14168.00  1703.92   0.0000   0.0000 14168.00  1703.92  ?   ?   1032.22   66.457 0.000000 66.45680 
1 1 1   12    9    2 o  255.738   15.046  821.962   95.665  821.962   95.665   0.0000   0.0000  255.738   15.046  ?   ?  0.000000 15.04606 
1 1 1   12    9    3 o  167.154   8.6821  350.164   36.116  345.038   51.043  355.302   51.108  165.596   12.434  168.072   12.262 -2.475815 17.46303 
1 1 1   12    9    4 o  729.044   22.528  6682.25  410.139  6643.87  579.972  6720.65  580.076  724.399   32.061  728.630   31.881 -4.230347 45.21386 
1 1 1   12    9    5 o  671.385   20.689  5661.04  346.872  5690.89  490.582  5631.18  490.521  671.204   29.269  667.633   29.422 3.570923 41.50076 
1 1 1   12    9    6 o  434.844   14.394  2367.68  156.302  2410.12  221.140  2325.31  220.947  438.120   20.213  430.300   20.562 7.819550 28.83320 
1 1 1   12    9    7 o  705.880   21.881  6262.75  385.698  6332.25  545.538  6193.28  545.382  707.470   30.879  699.562   31.219 7.907776 43.91098 
1 1 1   12    9    8 o  196.584   8.9139  483.063   43.759  506.534   62.138  459.972   61.634  200.811   12.453  191.269   12.981 9.542130 17.98816 
1 1 1   12    9    9 o  258.008   10.609  832.532   68.353  815.067   96.801  849.900   96.530  254.609   15.296  260.053   14.927 -5.444046 21.37248 
1 1 1   12    9   10 o  392.116   13.461  1925.03  131.805  1955.97  186.563  1894.20  186.238  394.727   18.927  388.414   19.201 6.312469 26.96112 
1 1 1   12    9   11 o  561.307   17.903  3953.94  250.946  3792.96  354.679  4115.30  355.103  548.243   25.907  571.296   24.891 -23.05341 35.92657 
1 1 1   12    9   12 o  277.740   15.451  970.017  106.739  934.510  152.598  1004.03  149.357  271.467   22.719  281.687   21.393 -10.22067 31.20584 
1 1 1   12    9   13 o  626.476   26.826  4965.01  419.671  5698.67  596.030  4243.66  591.010  666.837   35.925  572.602   41.617 94.23474 54.97828 
1 1 1   12    9   14 o  916.209   39.747 10811.21  909.378 11728.40  1288.49  9900.92  1283.63  939.796   55.145  858.294   60.272 81.50226 81.69241 
1 1 1   12    9   15 o  217.260   14.039  594.325   75.760  534.345  109.402  649.591  105.015  204.705   21.734  226.469   18.737 -21.76468 28.69607 
1 1 1   12    9   16 o  344.509   17.874  1497.21  153.238  1352.60  218.111  1638.18  215.339  325.207   27.104  358.927   24.166 -33.72043 36.31303 
1 1 1   12    9   17 o  297.359   12.903  1108.94   95.812  1146.77  117.999  1035.72  164.150  301.666   15.718  285.056   23.263 16.60992 28.07540 
1 1 1   12    9   18 o  886.516   27.407 10032.19  606.725 10122.00  858.405  9942.54  857.674  880.627   39.035  872.463   39.366 8.164185 55.43828 
1 1 1   12    9   19 o  264.684   10.525  877.951   69.564  884.340   99.248  871.780   97.532  264.717   15.076  262.853   14.920 1.863678 21.21098 
1 1 1   12    9   20 o  529.192   16.825  3532.94  222.345  3771.21  315.375  3297.47  313.519  544.226   23.206  508.241   24.703 35.98523 33.89297 
1 1 1   12    9   21 o  285.458   10.369  1021.83   73.912  1162.05  105.992  889.088  103.123  303.884   13.967  265.098   15.647 38.78583 20.97403 
1 1 1   12    9   22 o  131.406   8.5369  217.181   27.861  246.169   41.366  193.112   37.693  139.475   11.993  123.345   12.406 16.12962 17.25524 
1 1 1   12    9   23 o  171.306   8.7086  368.611   37.131  398.270   54.217  342.411   50.958  177.573   12.303  164.555   12.494 13.01820 17.53436 
1 1 1   12    9   24 o  211.212   9.2324  559.253   48.695  539.124   70.059  578.067   67.730  206.443   13.667  213.978   12.733 -7.535172 18.67930 
1 1 1   12    9   25 o  478.419   15.760  2892.64  188.281  3121.68  267.175  2666.67  265.373  494.373   21.642  455.510   23.409 38.86255 31.87988 
1 1 1   12    9   26 f  231.978   14.106  681.079   81.329   0.0000   0.0000  681.079   81.329  ?   ?   231.978   14.106 0.000000 14.10640 
1 1 1   12    9   27 o  294.324   17.126  1101.52  125.327  1101.52  125.327   0.0000   0.0000  294.324   17.126  ?   ?  0.000000 17.12578 
1 1 1   12    9   28 o  295.716   17.543  1113.42  128.967  1356.47  179.551  854.380  185.362  324.644   22.283  254.188   29.766 70.45602 37.18226 
1 1 1   12    9   29 o  268.447   10.560  905.327   70.787  934.984  100.067  875.621  100.149  271.618   14.809  262.687   15.334 8.930939 21.31736 
1 1 1   12    9   30 o   65.902   12.540   56.502   19.884   49.939   24.451   69.314   34.164   61.638   15.809   72.430   18.744 -10.79272 24.52102 
1 1 1   12    9   31 o  272.414   10.754  933.171   73.158  932.187  101.768  934.224  105.241  270.939   15.101  271.080   15.613 -0.1411133 21.72116 
1 1 1   12    9   32 o   77.031   11.563   76.369   21.555   62.408   25.669  109.757   39.697   68.839   15.326   91.246   18.061 -22.40670 23.68731 
1 1 1   12    9   33 o  331.592   13.439  1391.79  111.281  1475.88  153.920  1299.71  161.072  339.073   18.245  317.017   20.456 22.05603 27.41023 
1 1 1   12    9   34 o  110.919   11.302  156.915   30.868  139.668   38.167  189.531   52.485  103.675   15.193  120.264   18.032 -16.58870 23.57933 
1 1 1   12    9   35 o  122.968   16.547  197.370   49.523  328.412   88.203  137.041   59.847  156.380   23.298   99.857   24.243 56.52235 33.62333 
1 1 1   12    9   36 o  180.366   10.947  413.661   49.073  407.444   60.682  425.412   83.424  178.076   13.753  179.813   18.860 -1.736938 23.34144 
1 1 1   12    9   37 o  153.740   11.679  302.618   44.501  289.920   54.934  326.856   75.898  149.295   14.935  156.308   19.895 -7.012405 24.87757 
1 1 1   12    9   38 o  130.318   12.033  218.931   38.717  224.112   47.804  209.054   66.005  130.794   14.902  122.839   22.340 7.954857 26.85468 
1 1 1   12    9   39 o  230.085   12.739  683.292   72.907  688.193   90.707  674.346  122.545  228.799   15.976  221.166   22.502 7.632721 27.59659 
1 1 1   12    9   40 o   56.579   18.931   41.599   31.457   41.599   31.457   0.0000   0.0000   56.579   18.931  ?   ?  0.000000 18.93071 
1 1 1   12    9   41 o  128.873   19.185  228.685   59.857  228.685   59.857   0.0000   0.0000  128.873   19.185  ?   ?  0.000000 19.18466 
1 1 1   12    9   42 o   41.668   16.633   14.097   26.102   10.944   30.255   23.275   51.618   42.586   17.568   55.292   22.890 -12.70618 28.85457 
1 1 1   12    9   43 o   44.707   17.633   18.664   29.011   27.035   34.477  -1.6352   53.690   50.156   19.383   49.519   21.929 0.6367989 29.26716 
1 1 1   12   10    0 o  714.424   45.914  6598.55  814.782   0.0000   0.0000  6598.55  814.782  ?   ?   714.424   45.914 0.000000 45.91357 
1 1 1   12   10    1 o  992.140   63.840 13068.74  1573.27 13068.74  1573.27   0.0000   0.0000  992.140   63.840  ?   ?  0.000000 63.83960 
1 1 1   12   10    2 o  280.208   12.804  982.674   89.594  1019.32  109.272  907.502  156.501  284.821   15.421  267.493   23.674 17.32751 28.25311 
1 1 1   12   10    3 o  895.609   27.415 10122.82  613.145 10173.22  867.136 10072.43  867.101  893.044   38.883  888.514   39.080 4.530212 55.12859 
1 1 1   12   10    4 o  1212.24   36.875 18703.46  1116.29 18881.25  1578.88 18525.77  1578.47  1206.37   52.410  1194.52   52.916 11.84607 74.47806 
1 1 1   12   10    5 o  271.109   9.4344  918.878   63.872  923.029   90.264  914.715   90.393  271.551   13.311  270.321   13.391 1.229858 18.88117 
1 1 1   12   10    6 o  312.262   11.640  1219.83   90.767  1204.99  128.344  1234.68  128.384  309.600   16.662  313.427   16.461 -3.826752 23.42160 
1 1 1   12   10    7 o  932.985   28.520 10996.27  664.461 10984.31  939.698 11008.24  939.683  926.969   40.595  928.002   40.549 -1.033447 57.37756 
1 1 1   12   10    8 o  571.661   18.220  4100.31  260.105  3986.06  367.713  4214.72  367.976  562.184   26.193  578.239   25.484 -16.05487 36.54410 
1 1 1   12   10    9 o  687.537   21.424  5943.11  367.833  5953.70  520.259  5932.53  520.130  685.767   30.380  684.532   30.428 1.234924 42.99766 
1 1 1   12   10   10 o  691.510   20.516  6009.92  354.273  5967.65  500.836  6052.24  501.198  686.772   29.203  691.680   29.017 -4.908142 41.16824 
1 1 1   12   10   11 o  255.475   15.261  820.932   96.917  591.671  138.216  1042.69  135.936  214.921   26.302  287.505   19.042 -72.58406 32.47115 
1 1 1   12   10   12 o  220.038   14.457  609.321   78.993  432.271  113.409  776.167  110.092  183.341   25.458  247.999   17.897 -64.65756 31.11901 
1 1 1   12   10   13 o  635.530   27.877  5116.72  442.412  5564.04  627.587  4674.84  623.760  657.474   38.392  600.770   41.839 56.70374 56.78372 
1 1 1   12   10   14 o  460.469   20.265  2669.52  233.023  3152.03  332.078  2201.46  327.066  498.128   26.795  414.502   31.841 83.62549 41.61514 
1 1 1   12   10   15 o  382.631   19.101  1842.77  182.513  1554.54  258.913  2127.47  257.320  348.167   30.075  409.144   25.310 -60.97723 39.30722 
1 1 1   12   10   16 o  569.397   25.857  4113.95  367.661  4160.54  521.210  4067.80  518.701  566.786   37.028  560.270   37.287 6.516296 52.54925 
1 1 1   12   10   17 o  164.301   13.481  340.942   54.825  239.973   80.524  428.191   74.854  135.512   24.706  183.795   16.484 -48.28317 29.70050 
1 1 1   12   10   18 f  553.812   25.285  3902.52  349.690  3970.84  496.086  3835.04  493.001  552.223   36.174  542.390   36.613 9.833496 51.46924 
1 1 1   12   10   19 o  216.277   14.216  590.429   76.353  511.733  110.711  661.811  105.441  199.553   22.616  228.179   18.668 -28.62584 29.32554 
1 1 1   12   10   20 o  309.325   16.173  1209.28  124.492  1280.46  178.747  1142.23  173.487  316.484   22.769  298.609   23.454 17.87463 32.68859 
1 1 1   12   10   21 o  430.094   16.421  2334.49  176.368  2491.43  216.717  2026.72  303.498  443.323   19.576  394.288   31.076 49.03583 36.72793 
1 1 1   12   10   22 o  212.857   9.2991  567.807   49.429  609.983   71.423  529.038   68.476  219.846   13.069  204.614   13.477 15.23216 18.77273 
1 1 1   12   10   23 o   75.604   9.5769   72.796   17.676   80.449   27.305   67.275   23.190   78.696   14.426   71.981   13.394 6.714867 19.68546 
1 1 1   12   10   24 o  227.756   9.6004  650.485   54.602  683.889   78.631  619.378   75.880  232.640   13.594  221.318   13.798 11.32217 19.37001 
1 1 1   12   10   25 o  456.486   15.167  2630.93  172.888  2685.98  245.336  2576.62  243.673  458.720   21.417  449.142   21.726 9.578003 30.50736 
1 1 1   12   10   26 o  488.030   16.327  3013.53  198.982  3145.28  282.067  2883.01  280.743  495.495   22.796  473.288   23.830 22.20731 32.97789 
1 1 1   12   10   27 o  275.043   10.846  950.232   74.492  998.566  106.072  903.196  104.638  280.749   15.186  266.811   15.775 13.93820 21.89681 
1 1 1   12   10   28 o  216.604   10.193  589.007   55.135  663.965   78.428  515.765   77.525  229.060   13.775  201.393   15.535 27.66724 20.76294 
1 1 1   12   10   29 o  508.509   16.526  3276.63  209.854  3445.75  297.079  3108.19  296.477  517.943   22.969  491.183   24.171 26.75995 33.34384 
1 1 1   12   10   30 o  117.752   14.043  177.456   40.477  198.826   48.238  126.602   74.414  124.333   15.901   97.428   28.667 26.90500 32.78178 
1 1 1   12   10   31 f  309.566   12.722  1208.18   98.343  1320.52  138.698  1094.61  139.460  321.877   17.319  292.271   19.215 29.60547 25.86845 
1 1 1   12   10   32 o   94.991   11.740  115.354   27.257  125.730   34.711   98.666   44.022   98.662   14.523   86.027   20.735 12.63506 25.31524 
1 1 1   12   10   33 o  207.786   11.042  545.382   57.088  615.078   77.164  461.104   84.852  219.915   14.126  189.086   18.195 30.82961 23.03453 
1 1 1   12   10   34 o  281.571   11.530  1001.07   81.074  967.866  109.578  1041.24  120.511  275.001   16.026  284.828   17.021 -9.826599 23.37841 
1 1 1   12   10   35 o  272.932   12.606  944.815   85.915  927.144  106.224  978.242  146.095  268.700   15.902  272.895   21.615 -4.194580 26.83417 
1 1 1   12   10   36 o  303.464   12.659  1171.44   95.932  1146.86  118.578  1218.02  163.212  298.250   15.979  303.434   21.682 -5.183777 26.93435 
1 1 1   12   10   37 o  286.468   16.823  1067.90  119.820  1190.15  179.880  970.398  160.648  295.881   24.567  267.224   24.341 28.65683 34.58385 
1 1 1   12   10   38 o  187.468   11.720  450.124   54.590  460.934   67.888  430.345   91.827  188.457   14.538  178.467   21.007 9.989594 25.54667 
1 1 1   12   10   39 o  129.232   11.651  215.275   37.194  220.482   45.996  205.436   63.223  129.735   14.443  121.821   21.572 7.913300 25.96058 
1 1 1   12   10   40 o   85.219   14.961   97.147   30.677  108.939   37.452   73.104   53.478   89.421   17.398   73.004   24.682 16.41634 30.19730 
1 1 1   12   10   41 o   65.798   16.864   59.574   27.837   65.937   33.695   45.895   49.404   68.799   18.990   62.217   23.405 6.581711 30.13976 
1 1 1   12   10   42 o   42.421   17.648   9.2619   30.899   9.2619   30.899   0.0000   0.0000   42.421   17.648  ?   ?  0.000000 17.64783 
1 1 1   12   10   43 o   55.854   20.723   38.140   38.469   38.140   38.469   0.0000   0.0000   55.854   20.723  ?   ?  0.000000 20.72258 
1 1 1   12   11    0 f  502.483   18.864  3170.73  236.698  3115.69  289.336  3282.09  411.568  497.355   23.296  507.342   32.659 -9.986511 40.11644 
1 1 1   12   11    1 o  654.273   22.521  5387.59  367.965  5151.62  449.976  5863.88  639.291  638.341   28.228  676.660   37.987 -38.31873 47.32726 
1 1 1   12   11    2 o  340.253   17.809  1456.51  150.794  1744.11  212.352  1163.96  214.170  371.538   23.001  302.091   28.736 69.44659 36.80788 
1 1 1   12   11    3 o  495.288   18.684  3079.17  231.094  3188.62  282.847  2859.42  400.789  503.415   22.500  473.212   34.146 30.20300 40.89202 
1 1 1   12   11    4 o  860.606   30.182  9374.50  648.641  9672.26  794.565  8779.65  1123.07  871.437   36.513  818.311   55.283 53.12579 66.25255 
1 1 1   12   11    5 o  318.560   10.595  1269.21   84.283  1270.19  119.147  1268.23  119.241  318.414   14.984  318.168   15.008 0.2462463 21.20779 
1 1 1   12   11    6 o  334.884   12.154  1403.38  101.641  1357.38  143.621  1449.54  143.865  328.490   17.572  339.991   16.945 -11.50095 24.41110 
1 1 1   12   11    7 o  645.698   20.198  5238.01  325.679  5321.48  460.709  5154.64  460.451  648.862   28.433  638.487   28.879 10.37537 40.52694 
1 1 1   12   11    8 o  836.268   25.467  8819.51  531.839  8858.01  752.210  8781.02  752.058  833.915   36.122  830.213   36.275 3.701843 51.19247 
1 1 1   12   11    9 o  667.822   20.733  5606.48  345.756  5708.22  489.097  5504.84  488.849  671.635   29.162  659.402   29.688 12.23315 41.61428 
1 1 1   12   11   10 o  1099.93   47.597 15668.43  1307.37 17001.31  1851.83 14343.98  1845.97  1125.56   66.176  1026.53   72.478 99.03247 98.14375 
1 1 1   12   11   11 f  258.425   14.038  839.123   90.251  979.964  130.284  709.185  125.140  278.679   18.832  236.446   21.427 42.23270 28.52608 
1 1 1   12   11   12 o  296.090   15.363  1102.27  113.204  1228.56  162.458  983.062  157.832  311.740   20.991  278.349   22.910 33.39084 31.07254 
1 1 1   12   11   13 o  539.180   19.734  3657.41  265.704  3814.46  461.383  3579.48  325.009  545.606   34.033  532.332   24.449 13.27325 41.90488 
1 1 1   12   11   14 o  295.367   11.409  1092.27   84.150  1078.27  119.206  1106.17  118.808  292.595   16.381  296.408   16.112 -3.812897 22.97622 
1 1 1   12   11   15 o  410.486   13.747  2112.93  140.917  2227.08  199.741  1999.81  198.835  420.605   19.017  397.890   20.076 22.71533 27.65325 
1 1 1   12   11   16 o  554.728   17.550  3871.67  243.119  3970.42  344.171  3773.31  343.476  559.700   24.625  545.433   25.218 14.26758 35.24622 
1 1 1   12   11   17 o  207.034   9.5954  536.531   49.608  495.599   70.500  576.675   69.819  198.164   14.344  214.009   13.128 -15.84447 19.44429 
1 1 1   12   11   18 o  751.505   23.462  7168.83  440.305  7099.43  622.886  7238.14  622.484  741.483   33.640  748.953   33.283 -7.469910 47.32246 
1 1 1   12   11   19 o  250.038   10.176  783.304   63.540  783.449   90.576  783.163   89.158  249.185   14.620  249.180   14.390 0.5264282E-02 20.51353 
1 1 1   12   11   20 o  259.176   10.527  842.117   68.130  821.541   97.145  862.034   95.575  254.965   15.329  261.316   14.706 -6.351532 21.24248 
1 1 1   12   11   21 o  266.715   12.452  893.710   82.932  759.036  146.739  956.916  100.527  242.503   24.571  275.276   14.677 -32.77274 28.62032 
1 1 1   12   11   22 o  325.624   16.762  1343.22  135.839  1412.61  194.919  1277.69  189.408  331.613   23.694  315.086   24.259 16.52631 33.91036 
1 1 1   12   11   23 o  278.260   15.226  979.683  105.396  1049.78  152.556  915.672  145.781  286.237   21.500  267.044   22.058 19.19333 30.80285 
1 1 1   12   11   24 o  263.790   15.157  880.991   99.424  896.021  144.412  867.447  137.087  264.016   22.107  260.014   21.300 4.001831 30.69889 
1 1 1   12   11   25 o  327.775   16.659  1362.84  135.911   0.0000   0.0000  1362.84  135.911  ?   ?   327.775   16.659 0.000000 16.65945 
1 1 1   12   11   26 o  474.554   22.967  2885.84  272.176  2885.84  272.176   0.0000   0.0000  474.554   22.967  ?   ?  0.000000 22.96744 
1 1 1   12   11   27 o  194.908   8.7539  476.184   42.607  505.018   61.427  449.450   59.149  199.963   12.362  188.548   12.636 11.41501 17.67705 
1 1 1   12   11   28 o  161.248   9.0059  327.023   36.119  339.490   51.588  315.036   50.586  163.722   12.718  157.634   12.966 6.087692 18.16181 
1 1 1   12   11   29 o  263.764   10.870  874.201   71.600  958.095  101.640  791.560  100.879  274.989   14.856  249.500   16.281 25.48950 22.04015 
1 1 1   12   11   30 o  384.597   12.815  1863.91  123.076  1853.52  173.970  1874.32  174.140  381.732   18.250  383.901   18.165 -2.168854 25.74926 
1 1 1   12   11   31 o  142.095   9.8283  254.732   34.660  253.195   46.717  256.613   51.694  141.035   13.427  141.700   14.829 -0.6655121 20.00406 
1 1 1   12   11   32 o  233.382   15.876  694.024   91.975  746.464  118.261  613.753  146.315  240.749   19.848  214.915   27.923 25.83350 34.25806 
1 1 1   12   11   33 o  213.780   16.594  585.030   87.892  661.741  107.885  433.632  151.561  226.508   19.256  176.044   35.697 50.46327 40.55970 
1 1 1   12   11   34 o  255.984   11.253  826.608   71.931  828.984   97.171  823.727  106.987  254.805   15.343  253.356   17.009 1.449432 22.90645 
1 1 1   12   11   35 o  293.146   11.992  1087.66   87.789  1035.39  108.755  1185.42  148.729  284.398   15.370  301.942   19.836 -17.54440 25.09383 
1 1 1   12   11   36 o  436.358   16.050  2445.93  174.891  2469.37  215.597  2400.81  299.072  435.241   19.836  418.817   28.770 16.42346 34.94571 
1 1 1   12   11   37 o  194.238   11.475  480.812   55.411  473.370   69.183  494.129   92.544  191.545   14.573  193.366   19.428 -1.821045 24.28639 
1 1 1   12   11   38 o   50.188   15.700   32.560   21.856   32.618   25.794   32.412   41.155   51.163   17.142   56.062   21.298 -4.898937 27.33984 
1 1 1   12   11   39 o   71.218   21.436   69.723   41.243  101.423   87.299   60.615   46.795   86.070   31.336   67.914   23.087 18.15588 38.92238 
1 1 1   12   11   40 o   96.434   13.399  122.181   31.394  119.255   38.571  127.924   54.039   93.871   17.084   94.737   23.060 -0.8663254 28.69840 
1 1 1   12   11   41 o   85.626   14.885   98.230   30.672   92.096   37.669  110.296   52.833   81.377   18.899   87.328   23.646 -5.951050 30.27029 
1 1 1   12   11   42 o  122.523   13.201  197.183   39.752  220.889   50.097  156.879   65.321  128.348   15.976  102.534   25.592 25.81460 30.16954 
1 1 1   12   11   43 o   64.958   18.507   59.309   31.473   35.045   39.414  102.009   52.285   55.077   20.862   82.745   23.940 -27.66829 31.75424 
1 1 1   12   12    0 o  446.957   19.458  2511.21  217.181  2511.21  217.181   0.0000   0.0000  446.957   19.458  ?   ?  0.000000 19.45830 
1 1 1   12   12    1 o  214.915   11.188  579.505   59.835  550.916   72.016  643.231  107.520  209.254   13.860  225.442   19.284 -16.18819 23.74851 
1 1 1   12   12    2 o  106.436   14.145  144.397   36.665  173.260   47.357  101.205   57.932  116.343   16.786   88.437   25.078 27.90611 30.17731 
1 1 1   12   12    3 o  680.486   30.144  5868.04  512.244  5701.84  723.012  6035.54  725.840  664.052   43.847  683.874   42.716 -19.82245 61.21504 
1 1 1   12   12    4 o  431.432   16.782  2334.67  180.801  2470.05  221.242  2062.48  313.703  443.344   19.984  402.034   31.499 41.30981 37.30299 
1 1 1   12   12    5 o  967.136   34.249 11899.43  827.161 11988.81  1012.91 11720.52  1433.13  966.271   41.978  939.072   61.452 27.19879 74.42100 
1 1 1   12   12    6 o  878.539   31.262  9788.81  685.849  9783.90  839.732  9798.65  1188.66  874.855   38.437  863.239   55.434 11.61542 67.45654 
1 1 1   12   12    7 o  667.219   20.518  5596.48  341.873  5823.28  483.729  5370.15  483.233  678.452   28.552  651.167   29.718 27.28546 41.21090 
1 1 1   12   12    8 o  611.461   19.140  4696.49  292.254  4708.39  413.332  4684.60  413.286  610.392   27.117  608.830   27.183 1.562134 38.39610 
1 1 1   12   12    9 o  158.642   9.1647  315.729   36.152  317.959   51.150  313.503   51.104  158.824   13.011  157.689   13.096 1.134964 18.46061 
1 1 1   12   12   10 o  380.039   18.143  1813.71  172.183  1970.79  245.430  1661.48  241.622  394.365   25.052  361.532   26.957 32.83337 36.80045 
1 1 1   12   12   11 o   94.089   12.587  112.812   28.834  178.295   47.639   74.957   36.221  118.058   16.619   75.769   19.138 42.28934 25.34677 
1 1 1   12   12   12 o  146.053   11.387  268.619   41.201  395.369   63.362  175.762   54.232  177.007   14.461  116.718   19.280 60.28820 24.10050 
1 1 1   12   12   13 o  804.495   24.876  8183.75  499.749  8224.31  706.883  8143.21  706.621  801.392   35.323  797.336   35.489 4.055298 50.07150 
1 1 1   12   12   14 o  407.939   13.699  2086.41  139.547  2117.69  197.606  2055.28  197.094  410.159   19.293  404.029   19.535 6.130371 27.45592 
1 1 1   12   12   15 o  546.900   17.239  3760.86  235.439  3906.81  333.303  3615.51  332.619  555.582   24.024  534.189   24.935 21.39246 34.62475 
1 1 1   12   12   16 o  460.120   14.914  2658.56  171.365  2763.28  242.736  2554.51  241.959  467.840   20.777  449.633   21.549 18.20709 29.93435 
1 1 1   12   12   17 o  273.083   10.463  934.000   71.353  953.423  101.435  914.974  100.391  275.091   14.821  269.444   14.979 5.646729 21.07208 
1 1 1   12   12   18 o  612.864   19.479  4744.87  298.111  4616.94  421.650  4872.72  421.534  600.783   28.105  617.600   27.332 -16.81738 39.20386 
1 1 1   12   12   19 o  354.955   12.720  1581.81  112.748  1497.97  159.722  1665.07  159.179  343.846   18.672  363.280   17.547 -19.43417 25.62246 
1 1 1   12   12   20 o  441.263   14.830  2451.06  163.411  2420.77  231.567  2481.11  230.634  436.671   21.236  442.199   20.886 -5.528046 29.78572 
1 1 1   12   12   21 o  507.434   16.533  3250.39  209.497  3254.29  296.799  3246.52  295.751  504.921   23.539  504.344   23.483 0.5765686 33.24942 
1 1 1   12   12   22 o  234.636   9.0956  689.850   53.294  835.870   77.437  558.451   73.458  257.936   12.022  210.131   14.081 47.80487 18.51478 
1 1 1   12   12   23 o   96.518   8.8103  117.686   21.001  128.698   32.511  109.801   27.511  100.268   13.313   92.686   12.181 7.581886 18.04516 
1 1 1   12   12   24 o  420.414   14.250  2227.91  149.604  2241.90  212.677  2214.20  210.484  419.699   20.292  417.132   20.207 2.567413 28.63717 
1 1 1   12   12   25 o  171.972   10.223  372.424   43.704  504.534   86.871  327.655   50.570  198.766   17.687  160.878   12.691 37.88824 21.76851 
1 1 1   12   12   26 o  259.322   15.472  852.576   99.735  823.237  145.992  878.251  136.572  252.349   23.435  261.539   21.090 -9.190659 31.52769 
1 1 1   12   12   27 f  311.839   17.243  1236.13  133.753  1146.31  193.250  1318.73  185.310  296.754   26.352  319.791   23.367 -23.03720 35.21991 
1 1 1   12   12   28 o  189.856   9.7702  453.475   46.164  486.834   66.461  422.375   64.171  196.048   13.661  182.435   14.197 13.61301 19.70243 
1 1 1   12   12   29 o  158.375   8.6957  315.388   34.259  302.767   48.884  327.571   48.028  154.529   12.783  160.909   12.040 -6.379135 17.55994 
1 1 1   12   12   30 o  184.864   9.1977  428.715   42.460  451.979   60.284  405.812   59.815  188.967   12.851  178.884   13.489 10.08319 18.63128 
1 1 1   12   12   31 o  107.573   9.9748  146.550   26.491  124.760   35.058  175.550   40.444   98.294   14.737  117.078   14.118 -18.78394 20.40817 
1 1 1   12   12   32 o  238.416   12.255  718.238   72.716  833.286  102.030  599.481  103.662  255.801   16.054  215.764   19.448 40.03735 25.21852 
1 1 1   12   12   33 o  227.142   10.887  649.469   61.754  721.694   84.868  568.199   90.027  238.321   14.327  210.499   17.279 27.82162 22.44607 
1 1 1   12   12   34 o  322.473   15.675  1323.50  126.229  1298.88  148.432  1387.85  239.933  317.637   18.797  320.889   30.301 -3.252258 35.65751 
1 1 1   12   12   35 o  181.399   17.943  426.720   80.214  426.720   80.214   0.0000   0.0000  181.399   17.943  ?   ?  0.000000 17.94295 
1 1 1   12   12   36 o  202.077   9.9317  515.274   50.118  461.879   62.810  608.848   83.148  190.089   13.316  217.559   15.404 -27.47035 20.36193 
1 1 1   12   12   37 o  152.825   11.039  297.565   41.843  279.140   52.568  329.426   69.126  146.920   14.518  158.429   17.780 -11.50835 22.95399 
1 1 1   12   12   38 o   92.612   12.278  111.242   27.696   93.701   34.294  144.136   46.963   83.488   17.026  103.366   18.890 -19.87808 25.43092 
1 1 1   12   12   39 f  152.006   11.388  296.352   42.915  287.850   54.107  310.771   70.462  148.464   14.791  152.267   18.940 -3.803680 24.03163 
1 1 1   12   12   40 o  113.069   12.371  165.990   34.361  150.418   42.972  193.600   57.220  105.884   16.814  118.865   19.986 -12.98121 26.11829 
1 1 1   12   12   41 o  113.515   19.547  177.276   53.411  199.669  109.842  170.342   61.124  110.770   35.266  109.316   23.114 1.453461 42.16546 
1 1 1   12   12   42 f   51.392   17.548   33.506   27.036   33.737   33.617   33.083   45.491   53.312   19.440   56.724   22.169 -3.411671 29.48485 
1 1 1   12   12   43 o   54.786   22.170   26.625   47.063   0.0000   0.0000   26.625   47.063  ?   ?    54.786   22.170 0.000000 22.16977 
1 1 1   12   13    0 o  1445.06   52.281 27516.30  1886.60 27661.44  2310.42 27225.88  3268.24  1429.00   64.745  1350.60   97.559 78.40564 117.0888 
1 1 1   12   13    1 o  298.270   13.285  1114.60   98.951  1131.45  120.225  1079.23  174.215  299.849   16.115  291.392   24.160 8.457520 29.04134 
1 1 1   12   13    2 o  386.555   15.690  1874.27  151.458  1986.77  185.083  1646.21  263.519  397.614   18.640  359.009   29.659 38.60477 35.03060 
1 1 1   12   13    3 o  685.149   30.006  5957.09  513.378  5520.04  723.885  6399.35  728.185  651.794   44.745  703.809   41.617 -52.01581 61.10742 
1 1 1   12   13    4 f  739.798   26.619  6919.87  491.772  6960.52  602.026  6838.35  852.534  739.669   32.593  724.335   47.394 15.33386 57.51958 
1 1 1   12   13    5 o  360.432   14.795  1628.32  133.162  1650.19  162.562  1583.73  232.158  362.515   17.957  353.004   26.530 9.510895 32.03622 
1 1 1   12   13    6 o  487.834   18.530  2989.36  225.737  3028.45  276.102  2910.56  392.035  490.306   22.550  477.155   33.106 13.15048 40.05668 
1 1 1   12   13    7 o  793.821   27.966  7976.75  554.377  7610.68  678.188  8714.01  962.437  772.339   35.163  818.180   47.307 -45.84064 58.94458 
1 1 1   12   13    8 o  338.488   14.064  1435.63  118.875  1439.02  144.994  1428.66  207.618  338.158   17.227  335.502   24.960 2.656158 30.32772 
1 1 1   12   13    9 f  255.942   12.075  820.090   77.174  835.288   93.846  788.343  135.636  257.730   14.642  249.222   22.021 8.507324 26.44402 
1 1 1   12   13   10 o  143.906   8.9381  259.958   31.961  247.137   45.089  272.906   45.312  139.859   13.061  147.104   12.452 -7.244858 18.04568 
1 1 1   12   13   11 o  384.364   17.020  1855.15  163.365  2294.93  234.089  1437.62  228.092  426.123   22.074  335.768   27.443 90.35498 35.21928 
1 1 1   12   13   12 o  127.766   10.427  205.633   32.977  210.704   59.771  203.413   39.540  128.019   19.296  126.804   12.656 1.214989 23.07622 
1 1 1   12   13   13 o  382.024   13.406  1829.38  127.890  1767.34  180.863  1891.41  180.864  374.198   19.422  387.735   18.680 -13.53708 26.94698 
1 1 1   12   13   14 o  484.759   15.127  2949.72  183.121  3090.29  259.351  2809.97  258.594  494.965   20.983  471.757   21.951 23.20856 30.36631 
1 1 1   12   13   15 o  1031.40   31.337 13608.44  807.125 13763.16  1141.70 13453.87  1141.19  1024.71   44.617  1012.58   45.132 12.13617 63.46278 
1 1 1   12   13   16 o  203.108   8.7654  516.148   44.458  562.688   63.423  471.189   62.337  211.532   12.057  193.392   12.983 18.14030 17.71790 
1 1 1   12   13   17 o  595.178   18.072  4465.37  268.602  4693.12  380.428  4238.97  379.296  607.505   25.077  576.828   26.332 30.67737 36.36226 
1 1 1   12   13   18 o  685.723   21.569  5958.74  369.334  5752.08  522.281  6165.46  522.355  668.316   31.295  692.640   30.200 -24.32385 43.49026 
1 1 1   12   13   19 o  262.259   10.233  861.930   67.017  898.502   95.480  826.417   94.087  266.911   14.378  255.874   14.788 11.03761 20.62555 
1 1 1   12   13   20 o  261.575   10.642  857.990   69.514  849.696   99.145  866.010   97.491  259.259   15.383  261.829   14.973 -2.569550 21.46653 
1 1 1   12   13   21 o  411.365   14.043  2129.96  144.256  2119.06  204.647  2140.73  203.378  408.611   20.056  410.771   19.827 -2.160126 28.20189 
1 1 1   12   13   22 f  263.555   9.9414  871.022   65.429  997.502   94.123  752.751   91.017  281.551   13.387  243.892   15.017 37.65918 20.11795 
1 1 1   12   13   23 o  347.703   12.338  1520.00  107.125  1538.80  152.507  1501.68  150.508  348.184   17.597  343.953   17.582 4.230835 24.87530 
1 1 1   12   13   24 o  320.572   16.526  1303.00  131.848   0.0000   0.0000  1303.00  131.848  ?   ?   320.572   16.526 0.000000 16.52634 
1 1 1   12   13   25 o  457.304   18.020  2652.44  205.783  2516.33  252.171  2923.76  356.030  442.766   22.885  472.592   30.328 -29.82635 37.99405 
1 1 1   12   13   26 o  334.289   12.101  1405.50  101.016  1459.23  144.129  1353.63  141.620  338.987   17.081  326.344   17.441 12.64377 24.41213 
1 1 1   12   13   27 o  134.870   9.0224  229.068   30.212  226.022   44.326  231.710   41.288  133.261   13.506  135.148   12.371 -1.886505 18.31577 
1 1 1   12   13   28 o  340.506   14.231  1462.94  121.008  1570.28  215.440  1413.46  146.260  348.231   24.940  333.327   17.634 14.90460 30.54428 
1 1 1   12   13   29 o   72.505   18.087   69.373   32.640   49.885   66.527   75.551   37.459   71.614   27.109   75.616   19.656 -4.001816 33.48536 
1 1 1   12   13   30 o  158.450   14.072  319.333   55.101  392.266   92.804  279.624   68.478  173.696   21.881  147.013   19.104 26.68347 29.04753 
1 1 1   12   13   31 f  245.305   10.368  756.027   63.510  785.029   89.761  726.953   89.872  248.820   14.509  239.250   15.120 9.569916 20.95559 
1 1 1   12   13   32 o  304.698   12.778  1170.93   97.225  1232.97  136.873  1107.75  138.131  310.763   17.711  294.051   18.912 16.71219 25.90987 
1 1 1   12   13   33 o  316.254   13.157  1263.50  103.906  1363.23  145.311  1159.15  148.637  326.433   17.894  300.049   19.951 26.38370 26.80011 
1 1 1   12   13   34 o  103.798   11.632  137.566   29.632  149.558   37.634  118.006   48.065  107.693   14.351   93.888   21.024 13.80497 25.45522 
1 1 1   12   13   35 o  238.203   11.862  717.371   70.557  686.606   87.934  772.985  118.226  231.620   15.289  243.969   19.570 -12.34972 24.83447 
1 1 1   12   13   36 o  132.034   11.669  222.403   38.078  209.167   47.585  245.965   63.491  127.039   15.308  136.599   19.138 -9.559845 24.50730 
1 1 1   12   13   37 o  240.067   20.595  761.477  122.271  761.477  122.271   0.0000   0.0000  240.067   20.595  ?   ?  0.000000 20.59523 
1 1 1   12   13   38 o  108.218   11.714  150.720   31.150  133.863   38.425  183.032   53.201  100.681   15.804  116.883   18.870 -16.20200 24.61355 
1 1 1   12   13   39 o  203.069   11.983  528.693   60.495  493.997   76.431  586.886   98.983  194.361   15.886  209.913   19.092 -15.55283 24.83672 
1 1 1   12   13   40 f   85.770   14.535   97.720   30.020   93.152   37.441  105.942   50.233   82.320   18.646   86.472   22.900 -4.151642 29.53115 
1 1 1   12   13   41 o  107.586   13.316  151.661   35.010  138.294   44.830  172.558   56.053  100.530   18.541  111.358   20.925 -10.82832 27.95749 
1 1 1   12   13   42 o   55.537   17.417   41.234   26.879   48.777   34.482   29.552   42.910   60.380   19.805   54.793   21.498 5.587494 29.22982 
1 1 1   12   13   43 o   60.524   22.882   43.647   47.360   0.0000   0.0000   43.647   47.360  ?   ?    60.524   22.882 0.000000 22.88228 
1 1 1   12   14    0 o  921.321   32.999 10866.95  759.219 10894.06  929.371 10812.58  1316.36  916.670   40.600  893.203   59.355 23.46722 71.91189 
1 1 1   12   14    1 o  330.624   13.017  1369.98  107.475  1224.30  130.186  1681.73  190.446  311.722   16.786  364.638   21.004 -52.91577 26.88757 
1 1 1   12   14    2 o  312.121   13.631  1221.18  106.246  1248.10  129.229  1165.03  186.641  314.831   16.495  302.483   24.931 12.34756 29.89364 
1 1 1   12   14    3 o  498.385   18.934  3124.20  235.645  3187.42  288.162  2996.59  409.409  502.538   22.962  483.016   34.163 19.52151 41.16282 
1 1 1   12   14    4 o  470.115   22.296  2787.02  261.746  3003.59  368.942  2567.56  371.399  485.015   30.619  447.295   33.493 37.72003 45.37972 
1 1 1   12   14    5 o  256.761   11.794  825.410   75.622  790.668   91.536  900.098  134.210  250.686   14.686  266.655   20.308 -15.96933 25.06178 
1 1 1   12   14    6 o  128.083   11.103  206.863   35.160  223.418   41.695  166.116   65.413  132.955   12.713  112.618   23.994 20.33643 27.15400 
1 1 1   12   14    7 o  342.385   14.008  1469.33  119.767  1398.71  145.803  1615.85  210.005  333.232   17.584  357.019   23.690 -23.78714 29.50235 
1 1 1   12   14    8 o  433.990   16.882  2364.96  182.960  2363.13  223.567  2368.66  318.362  433.216   20.666  430.814   29.775 2.401947 36.24410 
1 1 1   12   14    9 o  394.669   15.863  1954.74  156.342  2005.92  191.083  1851.09  271.922  399.339   19.161  380.827   28.806 18.51236 34.59733 
1 1 1   12   14   10 o  568.328   21.038  4069.88  298.578  4093.82  365.305  4021.72  518.222  568.719   25.722  558.371   37.382 10.34802 45.37632 
1 1 1   12   14   11 o  330.479   24.537  1388.58  201.052  1388.58  201.052   0.0000   0.0000  330.479   24.537  ?   ?  0.000000 24.53720 
1 1 1   12   14   12 o  480.121   22.434  2910.61  268.972  2851.05  381.611  2969.40  379.168  471.225   32.630  481.304   31.725 -10.07916 45.51078 
1 1 1   12   14   13 o  111.509   8.8283  156.507   24.382  143.533   34.834  168.969   34.140  106.157   13.441  115.517   12.011 -9.359840 18.02555 
1 1 1   12   14   14 o  224.758   10.069  632.341   56.516  627.506   80.059  637.143   79.793  223.141   14.445  224.877   14.283 -1.735947 20.31433 
1 1 1   12   14   15 o  315.526   11.149  1247.18   87.846  1262.45  124.422  1231.99  124.045  316.935   15.721  312.662   15.940 4.272949 22.38843 
1 1 1   12   14   16 o  685.922   20.893  5947.95  357.879  6170.71  506.594  5726.02  505.642  694.569   29.207  668.472   30.291 26.09723 42.07854 
1 1 1   12   14   17 o  552.565   16.910  3846.10  233.333  3974.91  330.322  3717.82  329.643  559.399   23.646  540.702   24.414 18.69684 33.98803 
1 1 1   12   14   18 o  303.861   11.337  1157.83   86.028  1167.62  122.072  1148.17  121.257  304.056   16.135  301.500   16.164 2.555328 22.83900 
1 1 1   12   14   19 o  189.954   9.0467  451.869   42.913  492.423   61.659  413.770   59.763  197.631   12.559  180.977   13.317 16.65465 18.30514 
1 1 1   12   14   20 o  161.520   9.0428  327.803   36.327  315.354   52.366  339.352   50.437  157.809   13.415  163.903   12.415 -6.094009 18.27855 
1 1 1   12   14   21 o  288.916   11.253  1047.77   81.191  990.594  115.483  1103.66  114.171  279.575   16.616  295.419   15.531 -15.84482 22.74422 
1 1 1   12   14   22 o  384.692   13.032  1861.69  125.191  1970.02  178.121  1755.93  175.992  394.363   18.087  371.572   19.031 22.79068 26.25487 
1 1 1   12   14   23 o  199.008   9.4490  496.532   46.957  442.333   67.997  545.945   64.925  186.728   14.701  207.977   12.560 -21.24910 19.33606 
1 1 1   12   14   24 o  445.983   17.026  2517.85  189.620  2572.66  232.990  2410.33  326.327  449.317   20.765  428.887   30.671 20.43018 37.03957 
1 1 1   12   14   25 o  256.659   10.350  826.826   66.334  829.800   95.236  824.024   92.446  255.969   14.964  255.167   14.569 0.8013763 20.88478 
1 1 1   12   14   26 o  275.443   10.848  952.902   74.619  968.221  106.918  938.356  104.189  276.369   15.555  272.103   15.396 4.266144 21.88654 
1 1 1   12   14   27 o  244.301   10.448  749.365   63.739  730.459   91.456  767.222   88.880  239.958   15.343  246.142   14.524 -6.184525 21.12726 
1 1 1   12   14   28 f  170.941   9.7165  367.818   41.306  365.752   59.876  369.694   57.056  169.672   14.264  170.744   13.491 -1.072571 19.63359 
1 1 1   12   14   29 o  174.028   9.3057  380.973   40.294  395.353   58.040  367.593   55.985  176.629   13.255  170.278   13.271 6.350906 18.75701 
1 1 1   12   14   30 o  505.532   16.391  3238.60  206.926  3368.11  293.303  3110.26  291.978  511.941   22.943  491.428   23.793 20.51331 33.05228 
1 1 1   12   14   31 o  214.068   14.734  582.006   78.282  604.999  122.106  565.960  102.002  215.724   23.022  209.692   19.711 6.032501 30.30741 
1 1 1   12   14   32 o  131.803   15.290  222.841   49.388  239.142   90.196  215.860   59.023  132.950   28.049  128.797   18.915 4.153534 33.83106 
1 1 1   12   14   33 o  245.499   12.546  762.420   76.657  857.236  106.330  659.810  110.614  259.156   16.516  226.120   19.789 33.03558 25.77557 
1 1 1   12   14   34 o  171.942   10.557  373.615   45.111  357.713   59.775  394.656   68.758  167.351   14.445  175.446   15.866 -8.095291 21.45634 
1 1 1   12   14   35 o  105.031   11.149  140.750   28.795  129.319   35.782  161.758   48.507   99.797   14.807  110.916   18.140 -11.11894 23.41641 
1 1 1   12   14   36 o  140.583   11.646  251.821   40.518  255.712   51.400  245.435   65.849  140.807   14.841  136.205   19.951 4.602158 24.86617 
1 1 1   12   14   37 o  249.068   12.409  788.783   77.177  768.630   96.848  823.851  127.752  243.947   15.986  249.866   20.660 -5.919205 26.12243 
1 1 1   12   14   38 o  124.257   11.614  198.007   35.620  177.640   45.053  231.965   58.174  116.279   15.935  132.272   18.086 -15.99345 24.10453 
1 1 1   12   14   39 o  179.595   18.657  428.857   82.452  428.857   82.452   0.0000   0.0000  179.595   18.657  ?   ?  0.000000 18.65710 
1 1 1   12   14   40 o  173.133   13.416  388.410   57.551  371.028   77.844  409.363   85.468  166.156   19.109  174.023   20.033 -7.866241 27.68538 
1 1 1   12   14   41 o  248.455   13.659  801.105   84.423  834.250  107.324  747.307  136.731  250.782   17.242  231.057   24.050 19.72424 29.59199 
1 1 1   12   14   42 o  100.133   14.373  133.040   34.909  108.058   45.194  169.995   54.966   87.391   20.976  110.302   20.716 -22.91073 29.48126 
1 1 1   12   15    0 o  424.523   20.414  2275.50  216.413  2205.42  304.501  2347.03  307.631  414.421   29.619  427.832   28.965 -13.41132 41.42746 
1 1 1   12   15    1 o  281.183   15.906  996.683  111.229  984.161  155.692  1009.74  158.962  278.055   22.619  281.625   22.799 -3.569946 32.11537 
1 1 1   12   15    2 o  652.459   23.837  5389.13  388.374  5460.38  475.175  5245.76  674.059  654.577   29.070  632.831   42.908 21.74615 51.82770 
1 1 1   12   15    3 o  226.457   11.722  644.094   66.061  633.395   79.603  667.763  118.399  224.242   14.290  229.157   20.921 -4.914230 25.33548 
1 1 1   12   15    4 o  357.985   14.764  1608.10  131.981  1630.78  160.914  1561.48  230.701  360.081   17.895  349.850   26.606 10.23059 32.06458 
1 1 1   12   15    5 o  474.741   21.853  2844.21  259.066  2675.66  364.167  3016.91  368.624  456.606   32.143  485.595   30.555 -28.98871 44.34827 
1 1 1   12   15    6 o  384.911   14.537  1858.53  139.731  1717.26  170.052  2152.19  245.174  369.470   18.431  411.896   23.939 -42.42682 30.21261 
1 1 1   12   15    7 o  333.186   13.978  1392.08  116.298  1353.42  141.555  1472.35  203.997  327.696   17.360  340.387   24.156 -12.69049 29.74733 
1 1 1   12   15    8 o  331.910   13.340  1380.94  110.570  1299.68  134.475  1550.52  194.274  321.193   16.824  349.769   22.359 -28.57663 27.98216 
1 1 1   12   15    9 o  590.468   21.735  4399.50  320.481  4551.68  392.344  4094.36  555.556  599.161   26.222  561.422   39.886 37.73865 47.73388 
1 1 1   12   15   10 o  698.601   25.274  6182.98  440.908  6086.16  539.472  6377.75  765.173  690.459   31.288  698.073   44.121 -7.613098 54.08918 
1 1 1   12   15   11 o  461.607   21.688  2690.10  250.003  2690.10  250.003   0.0000   0.0000  461.607   21.688  ?   ?  0.000000 21.68818 
1 1 1   12   15   12 o  301.331   23.255  1155.33  173.633  1155.33  173.633   0.0000   0.0000  301.331   23.255  ?   ?  0.000000 23.25473 
1 1 1   12   15   13 o  118.687   11.067  177.957   32.424  180.757   38.201  170.742   61.320  119.360   13.028  114.311   22.282 5.049065 25.81116 
1 1 1   12   15   14 o  586.477   21.069  4346.27  308.561  4145.56  377.285  4751.71  536.217  570.816   26.468  605.635   35.612 -34.81995 44.37074 
1 1 1   12   15   15 o  254.768   10.642  813.056   67.704  812.497   95.964  813.610   95.534  253.805   15.211  253.992   15.131 -0.1869965 21.45513 
1 1 1   12   15   16 o  142.554   9.0465  255.389   32.037  228.556   45.677  281.370   44.946  134.204   13.828  149.289   12.162 -15.08498 18.41517 
1 1 1   12   15   17 o  558.143   17.910  3930.85  249.632  3827.39  353.028  4034.33  353.039  547.665   25.813  562.593   25.129 -14.92773 36.02501 
1 1 1   12   15   18 o  509.814   16.427  3276.37  209.128  3334.58  296.080  3218.42  295.424  511.925   23.161  502.778   23.530 9.146637 33.01627 
1 1 1   12   15   19 o  366.748   13.064  1690.35  119.642  1647.76  169.461  1732.68  168.939  360.352   18.898  370.166   18.276 -9.813538 26.28946 
1 1 1   12   15   20 f  189.612   9.3525  450.508   44.284  444.410   63.294  456.355   61.979  187.469   13.613  190.066   13.139 -2.596695 18.91963 
1 1 1   12   15   21 o  114.463   8.7211  165.070   24.740  171.704   36.553  159.463   33.609  116.166   12.814  111.998   12.215 4.167595 17.70315 
1 1 1   12   15   22 o  274.396   10.247  944.586   70.216  1020.06  100.484  872.563   98.158  284.537   14.142  262.595   15.031 21.94278 20.63810 
1 1 1   12   15   23 o  222.833   9.1704  622.438   51.029  713.788   74.361  541.128   70.155  237.891   12.562  206.835   13.660 31.05605 18.55767 
1 1 1   12   15   24 o  436.873   14.187  2406.29  154.773  2630.49  220.071  2186.87  217.712  454.875   19.374  413.538   21.153 41.33670 28.68456 
1 1 1   12   15   25 o  153.268   8.6919  295.347   33.130  284.272   49.086  304.613   44.900  149.662   13.272  155.240   11.668 -5.577530 17.67119 
1 1 1   12   15   26 o  540.290   17.523  3701.68  236.423  3705.65  335.165  3697.75  333.546  536.313   25.026  535.805   24.929 0.5078125 35.32325 
1 1 1   12   15   27 o  276.745   11.107  962.363   76.760  956.595  109.904  967.856  107.255  274.505   16.103  276.258   15.611 -1.752655 22.42825 
1 1 1   12   15   28 f  286.904   10.749  1034.02   77.009  1066.07  110.308  1003.54  107.559  290.034   15.284  281.355   15.367 8.679413 21.67376 
1 1 1   12   15   29 o  133.798   9.3062  225.638   30.900  242.083   44.651  210.523   42.807  137.998   13.115  128.524   13.541 9.473831 18.85112 
1 1 1   12   15   30 o  301.801   11.547  1145.73   87.022  1227.42  123.970  1066.39  122.184  310.918   16.021  289.450   16.978 21.46829 23.34411 
1 1 1   12   15   31 o  285.490   11.802  1025.91   84.140  1155.76  119.466  898.092  118.523  301.628   15.917  265.127   18.009 36.50119 24.03470 
1 1 1   12   15   32 o  239.945   11.028  724.252   66.076  750.741   92.716  696.913   94.194  242.981   15.359  233.825   16.232 9.156754 22.34716 
1 1 1   12   15   33 o  223.587   10.571  628.877   59.022  672.299   81.513  581.018   85.575  230.053   14.259  213.264   16.189 16.78873 21.57355 
1 1 1   12   15   34 o  143.173   15.390  263.327   54.158  244.936   98.659  271.259   64.794  133.150   30.347  144.502   18.371 -11.35286 35.47493 
1 1 1   12   15   35 o  137.847   14.922  244.487   50.547  370.548   99.039  200.084   58.779  166.469   24.562  123.126   19.787 43.34263 31.54112 
1 1 1   12   15   36 o  158.100   11.383  317.733   44.640  306.597   56.772  335.769   72.252  154.311   14.919  160.345   18.376 -6.034378 23.67000 
1 1 1   12   15   37 o  316.635   13.911  1280.24  109.993  1318.73  136.951  1210.29  184.623  319.045   17.254  299.828   24.883 19.21667 30.27967 
1 1 1   12   15   38 o   46.212   14.727   27.059   19.151   26.585   22.929   28.152   34.825   47.093   16.160   52.297   19.655 -5.204529 25.44477 
1 1 1   12   15   39 o   91.298   12.765  108.623   28.306   94.866   35.760  131.705   46.319   83.719   17.661   98.307   19.556 -14.58771 26.35039 
1 1 1   12   15   40 o  190.686   12.067  467.359   57.163  475.214   73.529  455.357   90.882  190.495   15.594  183.653   20.148 6.842041 25.47711 
1 1 1   12   15   41 o  196.629   12.258  498.484   59.891  520.509   76.814  464.334   95.648  199.043   15.578  184.140   21.187 14.90356 26.29772 
1 1 1   12   16    0 o  516.855   34.852  3477.44  447.196  3477.44  447.196   0.0000   0.0000  516.855   34.852  ?   ?  0.000000 34.85151 
1 1 1   12   16    1 o  142.935   14.270  259.152   50.253  341.331   68.955  166.064   73.389  163.757   17.115  111.959   26.637 51.79788 31.66132 
1 1 1   12   16    2 o  465.249   22.088  2740.17  256.622  2824.64  361.953  2654.79  363.893  468.273   31.130  453.359   32.355 14.91449 44.89928 
1 1 1   12   16    3 o  150.112   10.017  283.372   37.335  227.448   43.452  441.120   72.978  134.017   13.153  186.671   15.804 -52.65442 20.56123 
1 1 1   12   16    4 o  478.409   17.988  2882.10  214.894  2761.96  262.233  3127.73  374.963  467.225   22.476  493.579   30.572 -26.35394 37.94467 
1 1 1   12   16    5 o  290.116   12.833  1055.36   92.968  1029.71  112.905  1109.37  163.838  285.815   15.882  295.364   22.379 -9.549347 27.44178 
1 1 1   12   16    6 o  471.216   22.519  2808.04  264.983  3287.66  373.932  2324.24  375.558  506.704   29.682  423.241   35.871 83.46274 46.55886 
1 1 1   12   16    7 o  554.676   20.645  3882.60  285.954  3867.46  349.614  3913.19  497.020  552.109   25.358  549.666   36.416 2.443298 44.37502 
1 1 1   12   16    8 o  318.009   13.896  1268.81  110.348  1395.06  134.578  1009.78  192.774  333.169   16.176  280.353   27.906 52.81613 32.25539 
1 1 1   12   16    9 o  403.932   16.171  2050.69  163.117  2117.83  199.238  1914.20  284.071  409.888   19.465  386.206   29.682 23.68213 35.49527 
1 1 1   12   16   10 o  128.570   10.482  208.345   33.362  186.856   39.101  265.850   63.964  121.367   13.110  144.198   18.167 -22.83089 22.40290 
1 1 1   12   16   11 o  365.862   15.056  1681.30  137.556  1731.53  167.912  1578.79  239.861  370.791   18.134  351.070   27.582 19.72150 33.00940 
1 1 1   12   16   12 o  320.446   24.114  1309.41  191.550  1309.41  191.550   0.0000   0.0000  320.446   24.114  ?   ?  0.000000 24.11407 
1 1 1   12   16   13 o  384.743   15.374  1860.63  147.705  1828.47  180.202  1926.47  257.844  380.746   18.953  388.011   26.775 -7.264771 32.80409 
1 1 1   12   16   14 o  792.347   28.605  8029.20  565.983  7919.00  692.714  8250.50  981.645  781.919   35.477  782.540   50.503 -0.6218872 61.71865 
1 1 1   12   16   15 o  507.349   18.869  3249.77  239.060  3163.89  292.261  3423.40  415.566  499.104   23.449  514.241   32.529 -15.13712 40.09967 
1 1 1   12   16   16 o  489.714   18.471  3028.43  225.882  2955.47  276.166  3175.89  392.615  482.315   22.929  495.074   31.928 -12.75922 39.30806 
1 1 1   12   16   17 o  190.529   8.9315  454.539   42.495  457.220   60.406  451.912   59.793  190.387   12.780  189.283   12.724 1.104523 18.03366 
1 1 1   12   16   18 o  414.257   13.026  2156.47  134.750  2286.35  191.046  2027.89  190.088  425.319   17.988  400.273   19.017 25.04678 26.17649 
1 1 1   12   16   19 o  347.592   12.480  1518.03  108.327  1525.96  153.524  1510.16  152.874  346.949   17.780  345.138   17.798 1.811066 25.15715 
1 1 1   12   16   20 o  245.082   10.554  753.538   64.594  735.042   91.790  771.683   90.915  240.950   15.335  247.019   14.807 -6.069153 21.31666 
1 1 1   12   16   21 o  383.924   12.477  1853.26  119.620  2025.31  169.994  1684.50  168.356  400.159   17.012  364.041   18.581 36.11838 25.19258 
1 1 1   12   16   22 f  131.252   12.176  218.402   39.454   0.0000   0.0000  218.402   39.454  ?   ?   131.252   12.176 0.000000 12.17599 
1 1 1   12   16   23 o  187.564   18.207  450.233   84.203  450.233   84.203   0.0000   0.0000  187.564   18.207  ?   ?  0.000000 18.20677 
1 1 1   12   16   24 o  493.908   23.054  3125.87  284.345  3043.46  401.719  3208.62  402.531  479.397   33.772  493.006   32.885 -13.60931 47.13799 
1 1 1   12   16   25 o  206.106   13.066  537.060   66.902  674.905   94.716  399.802   94.513  230.329   16.578  175.529   22.049 54.80051 27.58598 
1 1 1   12   16   26 f  651.094   29.831  5535.54  485.018  5618.63  686.034  5452.52  685.804  639.748   43.195  629.234   43.921 10.51422 61.60258 
1 1 1   12   16   27 o  208.298   13.274  548.879   68.687  651.349   96.843  445.151   97.435  226.011   17.290  185.463   21.433 40.54861 27.53747 
1 1 1   12   16   28 o  255.074   10.300  816.956   65.608  803.343   94.570  829.586   91.096  251.690   15.117  255.985   14.308 -4.294891 20.81405 
1 1 1   12   16   29 o  256.801   10.918  828.762   70.016  784.255   99.872  871.777   98.184  248.346   16.193  262.202   15.058 -13.85640 22.11248 
1 1 1   12   16   30 o  221.911   11.087  619.121   61.437  677.039   87.738  563.399   86.058  230.854   15.306  210.189   16.529 20.66515 22.52757 
1 1 1   12   16   31 f  415.746   13.865  2182.46  143.947  2336.83  204.280  2030.20  202.872  428.056   19.111  397.879   20.488 30.17758 28.01730 
1 1 1   12   16   32 o  205.686   10.994  533.685   56.262  601.784   78.912  463.278   80.238  217.630   14.605  190.185   17.077 27.44495 22.47046 
1 1 1   12   16   33 o  202.392   9.3953  514.506   47.485  516.436   65.213  512.328   69.278  201.820   13.009  200.797   13.902 1.023163 19.03919 
1 1 1   12   16   34 o  430.508   17.517  2367.69  188.323  2393.44  231.857  2317.76  322.840  429.785   21.673  414.766   31.403 15.01923 38.15554 
1 1 1   12   16   35 o  209.056   11.362  553.371   59.093  553.666   74.553  552.872   96.923  208.235   14.426  206.423   19.016 1.812256 23.86906 
1 1 1   12   16   36 o  160.023   11.789  325.869   46.778  305.380   59.537  358.921   75.618  153.753   15.728  165.772   18.587 -12.01907 24.34820 
1 1 1   12   16   37 o  177.288   15.766  406.682   69.070  348.454  120.015  435.519   84.458  155.957   31.892  182.189   18.836 -26.23170 37.03909 
1 1 1   12   16   38 o   67.377   19.664   61.013   35.140   37.312   95.151   64.756   37.814   74.243   30.934   69.336   20.445 4.907196 37.08026 
1 1 1   12   16   39 o  123.082   11.355  194.468   34.507  186.348   44.830  206.274   54.057  119.104   15.436  124.389   17.920 -5.285446 23.65111 
1 1 1   12   16   40 o  112.799   12.188  164.708   33.784  130.407   44.020  213.867   52.699   97.879   18.692  126.731   17.088 -28.85171 25.32515 
1 1 1   12   16   41 o   90.972   13.916  109.305   30.608   86.397   40.532  139.705   46.691   78.655   20.447  100.896   19.234 -22.24086 28.07132 
1 1 1   12   16   42 o   72.481   22.198   73.637   43.957   0.0000   0.0000   73.637   43.957  ?   ?    72.481   22.198 0.000000 22.19797 
1 1 1   12   17    0 o   58.195   20.670   37.260   37.716   37.260   37.716   0.0000   0.0000   58.195   20.670  ?   ?  0.000000 20.67023 
1 1 1   12   17    1 o  166.682   19.138  355.780   78.214  355.780   78.214   0.0000   0.0000  166.682   19.138  ?   ?  0.000000 19.13781 
1 1 1   12   17    2 o  341.667   17.739  1476.71  150.830  1464.70  211.451  1489.14  215.211  338.047   25.230  340.786   25.473 -2.738617 35.85317 
1 1 1   12   17    3 o  530.989   24.572  3588.30  325.819  3547.70  459.465  3629.36  462.100  521.594   35.486  527.722   35.269 -6.128113 50.03138 
1 1 1   12   17    4 o  457.929   21.848  2656.76  249.845  2751.87  352.307  2560.52  354.369  461.872   30.721  444.794   32.120 17.07803 44.44624 
1 1 1   12   17    5 o  392.448   15.537  1936.90  152.267  1907.25  185.494  1998.15  266.613  388.720   19.109  394.820   27.208 -6.100647 33.24779 
1 1 1   12   17    6 o  199.140   14.022  500.421   69.287  549.216   94.366  443.349  102.057  207.920   18.364  185.781   22.454 22.13951 29.00693 
1 1 1   12   17    7 o  171.653   13.158  371.873   55.974  353.534   74.397  395.796   84.971  166.515   18.187  176.005   19.669 -9.490143 26.78903 
1 1 1   12   17    8 o  807.448   29.163  8339.50  588.021  8321.96  719.637  8374.74  1020.01  801.643   35.949  787.428   52.169 14.21582 63.35514 
1 1 1   12   17    9 o  377.757   15.470  1794.04  145.931  1871.21  178.050  1636.11  254.712  385.228   18.509  356.655   28.846 28.57248 34.27330 
1 1 1   12   17   10 o  383.898   15.632  1853.26  149.855  1944.23  182.979  1667.98  261.147  392.616   18.663  359.912   29.311 32.70374 34.74804 
1 1 1   12   17   11 o  244.828   11.541  751.378   70.559  685.609   85.106  895.978  126.193  233.130   14.694  265.770   19.142 -32.63992 24.13182 
1 1 1   12   17   12 o  355.220   14.108  1585.05  125.142  1465.93  151.844  1837.27  220.952  340.525   17.920  379.751   23.414 -39.22614 29.48426 
1 1 1   12   17   13 o  589.171   39.251  4561.71  574.179  4561.71  574.179   0.0000   0.0000  589.171   39.251  ?   ?  0.000000 39.25074 
1 1 1   12   17   14 o  786.101   28.538  7922.66  560.220  8074.78  685.961  7617.99  970.798  788.583   34.834  746.736   52.393 41.84784 62.91565 
1 1 1   12   17   15 o  512.345   19.307  3319.72  247.021  3299.30  301.993  3361.01  429.405  509.107   23.754  507.749   34.064 1.358490 41.52815 
1 1 1   12   17   16 o  150.142   10.970  284.186   40.846  306.878   48.923  231.976   74.209  155.811   12.684  133.199   23.150 22.61128 26.39745 
1 1 1   12   17   17 o  271.462   12.161  925.336   82.436  910.409  100.303  956.404  144.705  268.456   15.022  273.591   21.349 -5.134796 26.10478 
1 1 1   12   17   18 o  284.401   12.296  1016.11   87.329  1035.48  106.491  976.326  152.601  286.303   14.947  276.004   22.332 10.29868 26.87229 
1 1 1   12   17   19 o  358.644   14.733  1620.93  131.946  1675.52  161.369  1510.79  229.195  363.876   17.759  341.555   27.094 22.32037 32.39538 
1 1 1   12   17   20 o  309.739   11.606  1205.11   89.770  1282.67  127.461  1128.78  126.453  318.278   16.089  298.267   17.048 20.01068 23.44142 
1 1 1   12   17   21 o  190.488   9.9322  456.370   47.082  477.249   80.748  445.614   57.954  193.518   16.878  187.838   12.425 5.680176 20.95865 
1 1 1   12   17   22 o  405.042   19.682  2086.63  199.072  2096.53  280.728  2076.61  282.340  401.289   28.193  399.185   28.511 2.104095 40.09658 
1 1 1   12   17   23 o  157.774   12.800  315.332   49.995  351.787   68.638  274.134   72.967  165.887   16.801  145.283   20.697 20.60379 26.65815 
1 1 1   12   17   24 o  230.773   13.888  673.786   79.660  672.682  111.694  674.929  113.643  229.074   19.718  229.360   20.043 -0.2862854 28.11591 
1 1 1   12   17   25 o  163.653   8.8765  336.736   36.140  343.262   52.662  330.926   49.687  164.607   12.915  161.697   12.400 2.910309 17.90401 
1 1 1   12   17   26 o  304.371   11.325  1164.48   86.074  1156.62  122.887  1172.06  120.600  301.823   16.365  303.964   15.944 -2.140991 22.84804 
1 1 1   12   17   27 o  146.296   8.1570  268.997   29.681  328.493   44.464  221.178   39.863  161.299   11.107  132.021   12.230 29.27809 16.52071 
1 1 1   12   17   28 o  443.605   14.896  2486.48  165.011  2432.69  234.083  2539.60  232.644  435.994   21.500  445.771   20.899 -9.776489 29.98377 
1 1 1   12   17   29 o  317.627   14.143  1273.61  112.181  1326.60  137.885  1169.86  192.933  322.901   17.162  299.518   26.054 23.38339 31.19863 
1 1 1   12   17   30 o  111.711   12.282  159.002   33.697  152.263   41.247  172.525   58.431  108.603   15.662  114.377   21.239 -5.774033 26.38934 
1 1 1   12   17   31 o  475.747   22.835  2913.53  271.291  2986.34  380.818  2838.50  386.573  473.618   32.393  460.385   33.862 13.23257 46.86131 
1 1 1   12   17   32 o  510.332   24.644  3376.09  314.062  3510.97  440.032  3236.05  448.388  510.338   34.735  487.345   37.123 22.99316 50.83949 
1 1 1   12   17   33 o  126.324   10.685  202.202   33.391  184.812   47.683  218.936   46.775  119.516   16.410  130.698   14.580 -11.18250 21.95132 
1 1 1   12   17   34 o  514.058   20.208  3402.21  259.416  3401.19  318.692  3404.22  446.606  509.886   25.029  496.932   36.239 12.95428 44.04269 
1 1 1   12   17   35 o  119.292   10.903  180.974   32.120  169.258   41.425  198.637   50.862  114.434   14.846  123.533   16.934 -9.098679 22.52003 
1 1 1   12   17   36 o  191.308   11.521  464.686   54.782  448.491   69.641  490.974   88.726  186.840   15.054  194.181   18.522 -7.340561 23.86810 
1 1 1   12   17   37 o   65.774   13.432   57.063   21.317   52.654   27.085   64.239   34.553   62.821   16.897   69.180   19.281 -6.359135 25.63688 
1 1 1   12   17   38 o  138.867   11.329  246.483   38.943  261.185   50.666  225.258   60.877  141.958   14.496  129.871   19.363 12.08652 24.18777 
1 1 1   12   17   39 f  192.026   11.446  471.294   54.635  463.790   70.429  482.634   86.579  188.910   15.055  190.935   18.386 -2.024857 23.76280 
1 1 1   12   17   40 o   94.285   18.539  121.038   42.094  127.208  107.121  119.912   45.776   94.307   34.654   93.177   20.252 1.130753 40.13762 
1 1 1   12   17   41 o  118.085   19.617  190.615   55.818   0.0000   0.0000  190.615   55.818  ?   ?   118.085   19.617 0.000000 19.61729 
1 1 1   12   18    0 o  389.787   19.414  1928.72  188.969  1922.71  264.817  1934.95  269.736  385.015   27.729  386.011   28.177 -0.9952698 39.53303 
1 1 1   12   18    1 o  359.180   26.241  1665.09  233.737  1665.09  233.737   0.0000   0.0000  359.180   26.241  ?   ?  0.000000 26.24097 
1 1 1   12   18    2 o  227.414   20.386  661.318  114.544  661.318  114.544   0.0000   0.0000  227.414   20.386  ?   ?  0.000000 20.38640 
1 1 1   12   18    3 o  462.066   22.102  2714.86  255.029  2808.54  359.310  2619.75  362.035  464.938   31.127  448.148   32.573 16.78970 45.05444 
1 1 1   12   18    4 o  393.405   19.384  1958.65  190.430  1928.42  267.517  1989.71  271.137  386.681   27.892  392.837   27.819 -6.156158 39.39343 
1 1 1   12   18    5 o  275.898   15.773  961.729  108.222  983.023  151.239  939.385  154.926  277.423   22.012  270.839   23.128 6.584198 31.92863 
1 1 1   12   18    6 o  175.009   10.684  385.326   46.468  384.646   55.156  386.989   86.254  174.577   12.740  173.712   20.265 0.8651733 23.93655 
1 1 1   12   18    7 o  391.528   18.750  1936.56  183.322  1786.88  256.174  2093.66  262.451  372.582   27.732  404.101   26.148 -31.51938 38.11565 
1 1 1   12   18    8 o  317.513   13.252  1266.10  105.074  1204.56  127.357  1397.28  185.948  308.764   16.578  330.992   22.633 -22.22812 28.05479 
1 1 1   12   18    9 o  520.505   18.711  3422.00  243.209  3246.82  296.799  3780.05  424.324  505.330   23.520  540.536   31.573 -35.20599 39.37054 
1 1 1   12   18   10 o  400.869   15.212  2021.91  152.282  1920.63  185.439  2231.65  266.860  389.854   19.048  417.452   25.724 -27.59738 32.00895 
1 1 1   12   18   11 o  412.220   16.335  2140.79  168.155  2180.42  205.206  2059.79  293.384  415.151   19.794  399.284   29.636 15.86639 35.63800 
1 1 1   12   18   12 o  682.403   24.947  5939.40  425.126  5914.56  520.071  5989.43  738.043  677.283   30.750  668.984   44.432 8.299316 54.03444 
1 1 1   12   18   13 o  512.523   34.702  3433.64  441.519  3433.64  441.519   0.0000   0.0000  512.523   34.702  ?   ?  0.000000 34.70180 
1 1 1   12   18   14 o  285.545   15.812  1030.48  112.307  972.761  156.804  1091.27  160.929  275.550   22.998  292.192   22.222 -16.64230 31.98018 
1 1 1   12   18   15 o  247.550   11.959  769.341   73.926  774.646   89.478  757.932  131.216  247.666   14.531  243.245   21.834 4.420914 26.22787 
1 1 1   12   18   16 o  222.413   10.976  620.619   60.959  583.981   73.381  702.206  109.503  215.029   13.738  234.768   18.837 -19.73872 23.31412 
1 1 1   12   18   17 o  141.959   9.9690  253.892   35.116  230.563   41.373  313.999   66.409  134.895   12.422  156.699   17.257 -21.80421 21.26278 
1 1 1   12   18   18 o  384.460   15.565  1865.06  149.432  1964.86  182.696  1663.34  259.737  393.737   18.581  357.251   29.375 36.48618 34.75817 
1 1 1   12   18   19 o  167.310   9.3368  351.980   38.854  309.615   46.495  450.048   70.740  156.510   11.987  188.279   15.175 -31.76860 19.33820 
1 1 1   12   18   20 o  318.366   13.618  1276.61  108.263  1323.86  132.320  1180.93  188.299  323.158   16.451  302.094   25.190 21.06400 30.08647 
1 1 1   12   18   21 o   68.732   21.602   59.819   41.326   0.0000   0.0000   59.819   41.326  ?   ?    68.732   21.602 0.000000 21.60246 
1 1 1   12   18   22 o  169.250   17.864  367.176   74.360  367.176   74.360   0.0000   0.0000  169.250   17.864  ?   ?  0.000000 17.86366 
1 1 1   12   18   23 o  344.622   12.295  1494.30  105.810  1536.93  150.103  1452.20  149.176  348.214   17.262  337.897   17.741 10.31711 24.75350 
1 1 1   12   18   24 o  239.419   10.330  719.670   61.762  711.502   88.004  727.598   86.699  236.889   14.953  239.659   14.556 -2.769501 20.86795 
1 1 1   12   18   25 o  338.150   12.279  1439.06  103.685  1334.85  147.222  1541.60  146.049  323.637   18.291  348.803   16.768 -25.16599 24.81379 
1 1 1   12   18   26 o  445.556   14.726  2507.42  163.850  2527.08  232.508  2488.03  230.939  444.707   20.937  441.247   20.959 3.459198 29.62470 
1 1 1   12   18   27 o  153.337   8.8145  295.767   33.610  302.781   49.618  289.821   45.688  154.491   12.982  151.268   12.199 3.223053 17.81380 
1 1 1   12   18   28 o  489.617   16.356  3037.22  199.977  2935.41  283.318  3138.31  282.303  477.512   23.760  494.287   22.871 -16.77448 32.97886 
1 1 1   12   18   29 o  394.929   13.696  1968.00  135.072  1982.43  191.716  1953.77  190.334  394.274   19.472  391.413   19.473 2.860901 27.53814 
1 1 1   12   18   30 o  114.641   9.3494  166.010   26.532  183.416   37.850  149.194   37.203  119.964   12.834  107.792   14.164 12.17176 19.11325 
1 1 1   12   18   31 o  230.790   10.160  669.202   58.554  712.917   83.201  626.301   82.422  237.122   14.115  221.987   14.955 15.13480 20.56434 
1 1 1   12   18   32 o  216.886   9.2012  590.523   49.834  630.180   69.753  549.178   71.222  223.187   12.566  208.018   13.789 15.16872 18.65609 
1 1 1   12   18   33 f  258.796   11.770  844.324   76.067  778.328   94.732  964.101  127.623  247.175   15.425  273.938   18.769 -26.76285 24.29429 
1 1 1   12   18   34 o  414.154   16.427  2186.53  169.895  2262.94  209.428  2039.46  290.554  419.256   20.003  389.765   30.085 29.49081 36.12803 
1 1 1   12   18   35 o   81.955   15.126   88.125   29.816   88.125   29.816   0.0000   0.0000   81.955   15.126  ?   ?  0.000000 15.12592 
1 1 1   12   18   36 o   38.318   14.269   14.478   18.274   14.478   18.274   0.0000   0.0000   38.318   14.269  ?   ?  0.000000 14.26949 
1 1 1   12   18   37 o  125.043   16.883  204.999   51.369  204.999   51.369   0.0000   0.0000  125.043   16.883  ?   ?  0.000000 16.88275 
1 1 1   12   18   38 o  283.016   12.864  1022.58   90.916  1076.73  114.307  929.332  149.993  288.331   15.937  262.669   23.102 25.66223 28.06618 
1 1 1   12   18   39 o  222.880   11.963  635.709   66.337  654.738   85.054  606.158  105.993  224.509   15.262  212.941   20.173 11.56789 25.29592 
1 1 1   12   18   40 o   61.673   15.215   51.269   23.287   49.992   32.871   52.556   32.994   61.290   19.267   62.580   19.243 -1.289951 27.23039 
1 1 1   12   18   41 o  228.817   21.054  712.981  118.955   0.0000   0.0000  712.981  118.955  ?   ?   228.817   21.054 0.000000 21.05441 
1 1 1   12   19    0 o  258.254   15.510  846.082   99.564  867.347  137.254  822.465  144.647  259.688   21.354  252.162   23.232 7.526413 31.55543 
1 1 1   12   19    1 o  208.462   14.579  550.856   75.418  595.604  102.848  498.806  110.923  215.625   19.305  196.074   23.097 19.55176 30.10269 
1 1 1   12   19    2 o  221.709   14.900  622.812   82.012  671.420  111.797  566.176  120.678  229.015   19.742  209.045   23.526 19.97017 30.71167 
1 1 1   12   19    3 o  155.692   18.894  311.739   71.954  311.739   71.954   0.0000   0.0000  155.692   18.894  ?   ?  0.000000 18.89428 
1 1 1   12   19    4 o  392.477   19.490  1954.53  191.014  1962.01  267.862  1946.80  272.466  389.166   27.745  387.332   28.367 1.834412 39.67925 
1 1 1   12   19    5 o  183.283   13.973  425.207   63.471  448.143   86.596  398.578   93.304  187.199   18.777  175.713   21.727 11.48645 28.71670 
1 1 1   12   19    6 o   82.941   17.262   90.075   34.590  114.909   44.646   52.785   54.709   93.499   19.741   69.354   24.867 24.14575 31.75031 
1 1 1   12   19    7 o  305.542   16.880  1182.12  128.294  1318.15  179.697  1040.70  183.227  320.985   22.562  283.819   26.146 37.16519 34.53480 
1 1 1   12   19    8 o  510.687   23.627  3326.64  301.307  3230.16  423.687  3425.36  428.581  496.376   34.393  511.670   33.731 -15.29456 48.17350 
1 1 1   12   19    9 o  559.582   20.435  3972.47  285.559  3792.93  348.659  4338.30  497.695  544.323   25.650  575.311   34.806 -30.98724 43.23685 
1 1 1   12   19   10 o  351.584   14.617  1556.07  128.329  1591.28  156.147  1482.81  225.257  354.885   17.620  338.985   26.829 15.89957 32.09768 
1 1 1   12   19   11 o  269.423   12.673  911.980   85.263  943.863  103.217  843.484  151.286  273.314   15.183  256.042   23.939 17.27194 28.34765 
1 1 1   12   19   12 o  560.022   20.466  3980.40  286.211  3818.21  349.512  4310.57  498.663  545.982   25.635  572.993   35.018 -27.01141 43.39869 
1 1 1   12   19   13 o  397.930   15.766  1996.87  156.669  1975.27  190.943  2041.37  274.065  394.780   19.369  397.343   27.796 -2.563049 33.87857 
1 1 1   12   19   14 o  180.335   19.021  416.454   84.365  416.454   84.365   0.0000   0.0000  180.335   19.021  ?   ?  0.000000 19.02099 
1 1 1   12   19   15 o  187.676   10.158  442.986   47.430  386.812   56.090  583.942   88.851  174.923   12.932  214.361   16.731 -39.43839 21.14636 
1 1 1   12   19   16 o  367.806   14.385  1704.45  132.125  1637.08  160.749  1844.76  231.969  359.576   17.902  378.616   24.669 -19.03992 30.48064 
1 1 1   12   19   17 o  164.331   10.471  340.212   42.746  324.577   50.709  378.603   79.459  160.138   12.787  171.777   18.832 -11.63968 22.76341 
1 1 1   12   19   18 o  235.584   11.504  697.270   67.680  713.057   81.902  663.276  120.181  237.510   13.869  227.100   21.446 10.41049 25.53975 
1 1 1   12   19   19 o  163.231   9.5095  335.254   38.594  307.347   45.817  403.442   71.617  155.922   11.856  177.897   16.302 -21.97487 20.15766 
1 1 1   12   19   20 o   41.708   14.312   20.046   17.985   27.375   20.410  -5.4222   38.044   47.205   15.220   43.431   18.865 3.773994 24.23928 
1 1 1   12   19   21 o  229.590   14.791  668.114   84.347  861.536  117.792  464.564  120.837  259.881   18.267  187.937   26.482 71.94370 32.17068 
1 1 1   12   19   22 o  179.419   10.384  405.508   46.326  434.409   55.977  342.685   82.530  185.430   12.156  162.628   20.798 22.80161 24.09015 
1 1 1   12   19   23 o  230.179   11.445  666.095   65.787  696.396   80.040  603.001  115.498  234.617   13.721  216.098   21.696 18.51913 25.67073 
1 1 1   12   19   24 o  298.175   13.027  1120.16   97.001  1169.53  118.724  1021.05  168.230  303.666   15.710  280.649   24.242 23.01645 28.88769 
1 1 1   12   19   25 o  340.531   13.991  1463.21  118.974  1466.24  145.824  1457.16  205.756  339.544   17.255  335.292   24.749 4.252716 30.17036 
1 1 1   12   19   26 o  113.400   10.310  162.803   28.878  147.857   35.966  189.921   48.446  107.426   13.721  121.395   16.401 -13.96867 21.38344 
1 1 1   12   19   27 o  103.990   8.2122  136.360   21.152  178.723   32.585  105.511   27.807  118.726   11.120   90.680   12.622 28.04565 16.82176 
1 1 1   12   19   28 o  244.094   9.9848  748.110   60.862  745.627   87.212  750.469   84.975  242.531   14.466  243.425   14.039 -0.8947601 20.15784 
1 1 1   12   19   29 o  323.917   11.269  1319.64   91.152  1373.44  129.805  1267.30  128.032  329.305   15.785  315.780   16.292 13.52505 22.68437 
1 1 1   12   19   30 o  238.487   10.021  714.390   59.682  739.441   85.041  690.076   83.780  241.519   14.162  233.215   14.457 8.303467 20.23788 
1 1 1   12   19   31 o  416.053   14.604  2189.84  151.732  2307.55  214.755  2072.52  214.407  424.541   20.257  401.204   21.478 23.33667 29.52390 
1 1 1   12   19   32 o  250.995   11.471  793.401   71.898  832.903  100.648  752.237  102.743  255.709   15.840  242.573   17.070 13.13637 23.28711 
1 1 1   12   19   33 o  274.576   10.881  949.315   74.607  909.480   92.841  1021.94  125.355  267.688   13.937  282.355   17.871 -14.66742 22.66273 
1 1 1   12   19   34 o  181.922   10.056  417.802   45.505  410.405   58.008  429.638   73.376  179.636   13.020  182.911   16.233 -3.275391 20.80921 
1 1 1   12   19   35 o   99.909   9.8416  126.913   24.235  113.890   32.124  144.115   36.921   93.659   14.179  105.530   14.385 -11.87134 20.19829 
1 1 1   12   19   36 o  147.591   10.292  276.275   37.697  266.340   48.980  290.711   59.041  144.012   13.788  149.811   16.031 -5.798660 21.14470 
1 1 1   12   19   37 o  194.207   10.757  478.852   51.967  430.942   66.420  554.472   83.445  182.896   14.666  206.891   16.283 -23.99557 21.91396 
1 1 1   12   19   38 o  100.490   11.133  129.720   27.468  129.636   37.547  129.817   40.289   99.140   15.689   98.799   16.939 0.3401642 23.08840 
1 1 1   12   19   39 o  133.500   14.807  232.665   48.530  232.665   48.530   0.0000   0.0000  133.500   14.807  ?   ?  0.000000 14.80657 
1 1 1   12   19   40 o  160.135   19.592  345.559   76.711  345.559   76.711   0.0000   0.0000  160.135   19.592  ?   ?  0.000000 19.59194 
1 1 1   12   20    0 o  219.055   14.595  609.364   79.379  603.685  107.549  616.159  117.646  216.408   20.132  218.034   21.904 -1.626556 29.75034 
1 1 1   12   20    1 o  135.564   14.362  234.663   47.880  261.146   62.954  198.325   73.742  142.208   18.141  121.804   25.079 20.40379 30.95270 
1 1 1   12   20    2 o  332.101   17.738  1404.46  146.568  1456.84  204.457  1349.09  210.221  335.291   24.591  321.697   26.401 13.59418 36.07936 
1 1 1   12   20    3 o  277.103   16.141  974.914  111.206  1012.66  153.219  932.891  161.660  280.454   22.056  268.208   24.404 12.24625 32.89364 
1 1 1   12   20    4 o  139.527   18.866  251.625   64.049  251.625   64.049   0.0000   0.0000  139.527   18.866  ?   ?  0.000000 18.86637 
1 1 1   12   20    5 o  162.644   13.790  335.644   55.479  331.598   74.428  340.704   83.225  160.530   18.930  162.197   21.044 -1.667068 28.30540 
1 1 1   12   20    6 o  331.625   17.552  1396.69  144.832  1421.45  202.431  1370.72  207.303  331.897   24.599  325.401   25.721 6.495575 35.59090 
1 1 1   12   20    7 o  283.348   16.156  1017.60  113.845  1083.03  158.647  948.133  163.463  290.526   22.031  270.879   24.428 19.64703 32.89549 
1 1 1   12   20    8 o  198.099   13.974  496.680   68.684  498.169   93.868  494.965  100.765  197.204   19.309  196.143   20.894 1.060776 28.45000 
1 1 1   12   20    9 o  284.917   16.184  1028.57  114.674  1098.50  159.090  952.949  165.443  292.730   21.923  271.587   24.663 21.14282 32.99805 
1 1 1   12   20   10 o  142.169   10.975  255.200   38.661  273.519   45.286  205.967   74.240  146.987   12.455  124.716   24.711 22.27104 27.67258 
1 1 1   12   20   11 o  480.495   18.469  2926.34  221.611  2965.26  270.530  2846.94  386.388  481.953   22.478  465.039   33.497 16.91391 40.33971 
1 1 1   12   20   12 o  455.903   17.670  2631.39  201.167  2686.06  245.536  2519.75  350.847  459.136   21.415  438.107   32.297 21.02878 38.75178 
1 1 1   12   20   13 o  260.340   12.231  851.989   79.519  853.784   95.783  848.008  142.643  259.794   14.826  256.776   22.472 3.018494 26.92185 
1 1 1   12   20   14 o  218.642   10.458  599.891   57.100  545.691   67.815  731.916  105.841  207.827   13.134  239.737   17.807 -31.91035 22.12657 
1 1 1   12   20   15 o  413.354   29.181  2228.44  299.283  2228.44  299.283   0.0000   0.0000  413.354   29.181  ?   ?  0.000000 29.18149 
1 1 1   12   20   16 o   72.756   12.807   68.540   22.419   69.799   25.006   63.381   50.609   73.196   14.193   72.021   24.011 1.175362 27.89192 
1 1 1   12   20   17 o  216.592   11.735  591.406   63.236  632.066   76.087  500.596  113.708  223.555   13.695  196.241   23.682 27.31395 27.35684 
1 1 1   12   20   18 o  232.457   11.556  679.234   67.082  679.231   80.868  679.242  120.121  231.676   14.044  229.751   21.175 1.925125 25.40919 
1 1 1   12   20   19 o  166.720   10.712  350.513   44.360  368.012   52.820  308.630   81.717  170.552   12.489  153.922   21.875 16.63036 25.18933 
1 1 1   12   20   20 o  194.603   10.443  476.882   50.563  455.005   60.628  526.860   91.638  189.650   12.878  202.874   18.285 -13.22366 22.36457 
1 1 1   12   20   21 o  397.948   28.214  2069.67  278.558  2069.67  278.558   0.0000   0.0000  397.948   28.214  ?   ?  0.000000 28.21392 
1 1 1   12   20   22 o  166.715   10.387  350.374   43.029  357.593   51.264  333.163   79.160  168.111   12.297  160.418   20.209 7.693527 23.65626 
1 1 1   12   20   23 o  278.041   12.347  973.262   85.729  1033.46  104.504  849.394  149.907  285.656   14.700  255.933   23.725 29.72272 27.91016 
1 1 1   12   20   24 o  288.770   12.959  1050.82   93.446  1110.87  114.104  928.511  162.837  295.937   15.494  267.227   24.681 28.70950 29.14099 
1 1 1   12   20   25 o  405.688   15.858  2083.70  160.649  2178.13  196.740  1894.76  278.292  413.515   19.052  379.432   29.605 34.08347 35.20599 
1 1 1   12   20   26 o  254.820   11.069  816.314   70.434  864.973   86.556  720.940  121.180  261.583   13.294  236.625   20.717 24.95844 24.61535 
1 1 1   12   20   27 o  150.043   9.8191  283.820   36.588  313.682   45.652  230.194   61.177  157.468   11.693  133.189   18.926 24.27928 22.24690 
1 1 1   12   20   28 o  391.555   14.885  1938.81  145.539  1948.80  178.655  1919.10  250.944  391.305   18.283  383.620   26.355 7.684235 32.07598 
1 1 1   12   20   29 o  128.442   20.400  215.841   63.243  215.841   63.243   0.0000   0.0000  128.442   20.400  ?   ?  0.000000 20.39980 
1 1 1   12   20   30 o  126.740   20.546  210.545   62.799  210.545   62.799   0.0000   0.0000  126.740   20.546  ?   ?  0.000000 20.54577 
1 1 1   12   20   31 o  447.371   18.816  2555.35  210.202  3132.75  301.290  2007.76  293.408  491.550   24.545  388.675   30.474 102.8742 39.12963 
1 1 1   12   20   32 o  157.247   13.442  314.717   52.277  258.836   80.842  354.879   68.535  139.498   24.077  166.223   16.739 -26.72498 29.32395 
1 1 1   12   20   33 o  372.636   19.049  1784.60  176.663  1728.85  252.936  1837.71  246.853  360.637   28.314  373.137   26.668 -12.49954 38.89527 
1 1 1   12   20   34 o  184.362   13.831  433.408   63.211  390.409   97.393  464.703   83.088  171.654   23.325  189.699   17.746 -18.04570 29.30819 
1 1 1   12   20   35 o  246.068   14.508  773.503   88.756  802.919  131.935  749.186  119.959  247.409   21.570  239.623   20.236 7.785828 29.57694 
1 1 1   12   20   36 o   82.343   14.499   88.948   28.724   70.340   62.582   93.915   32.331   75.566   26.649   84.294   15.943 -8.728355 31.05402 
1 1 1   12   20   37 o  292.064   16.036  1101.72  116.506  1150.80  172.110  1060.21  158.286  292.845   23.740  281.876   22.679 10.96893 32.83138 
1 1 1   12   20   38 o   67.110   13.035   59.424   21.058   32.180   31.161   82.324   28.569   52.683   18.780   78.737   15.079 -26.05445 24.08467 
1 1 1   12   20   39 o   64.681   13.993   55.809   21.945   18.026   33.755   83.470   28.882   47.690   18.953   79.120   15.170 -31.43019 24.27654 
1 1 1   12   20   40 o  106.122   16.894  150.752   43.269   0.0000   0.0000  150.752   43.269  ?   ?   106.122   16.894 0.000000 16.89364 
1 1 1   12   21    0 o  126.361   23.898  213.097   72.646   0.0000   0.0000  213.097   72.646  ?   ?   126.361   23.898 0.000000 23.89771 
1 1 1   12   21    1 o  309.928   17.096  1225.52  131.799  1265.50  182.990  1182.41  189.990  311.957   23.666  300.495   25.562 11.46149 34.83517 
1 1 1   12   21    2 o  121.850   14.755  190.514   43.982  213.896   56.832  155.601   69.447  128.365   18.243  107.321   26.152 21.04333 31.88647 
1 1 1   12   21    3 o  278.427   16.333  986.593  113.062  1089.98  156.779  874.565  163.202  290.622   21.761  258.512   25.618 32.11029 33.61286 
1 1 1   12   21    4 o  271.546   16.185  937.759  109.251  1041.44  151.052  824.031  158.204  284.315   21.433  251.042   25.594 33.27364 33.38294 
1 1 1   12   21    5 o  270.565   22.031  944.465  147.559  944.465  147.559   0.0000   0.0000  270.565   22.031  ?   ?  0.000000 22.03077 
1 1 1   12   21    6 o  208.099   14.407  549.313   74.409  574.076  101.130  520.081  109.874  211.452   19.367  200.257   22.353 11.19586 29.57598 
1 1 1   12   21    7 o  108.811   15.021  152.310   39.728  168.421   50.819  126.990   63.707  113.726   18.533   97.410   25.786 16.31538 31.75468 
1 1 1   12   21    8 o  243.579   14.935  752.083   90.407  756.122  124.620  747.595  131.354  242.556   20.775  240.729   22.097 1.826965 30.32967 
1 1 1   12   21    9 o  183.804   13.832  428.285   63.024  436.299   85.391  418.695   93.407  184.366   18.811  179.913   21.197 4.453857 28.34033 
1 1 1   12   21   10 o  261.093   14.689  863.093   95.386  777.598  130.158  962.277  140.191  245.850   21.415  273.944   20.645 -28.09488 29.74557 
1 1 1   12   21   11 o  253.132   12.206  806.060   77.157  825.602   92.942  762.728  138.397  255.361   14.636  242.904   23.094 12.45631 27.34119 
1 1 1   12   21   12 o  229.268   11.971  662.818   68.299  705.178   82.027  567.063  123.326  236.087   13.976  208.813   24.093 27.27432 27.85304 
1 1 1   12   21   13 o  164.462   10.068  340.706   41.151  307.428   47.914  434.265   80.338  155.822   12.416  184.234   17.679 -28.41127 21.60390 
1 1 1   12   21   14 o  201.404   10.636  510.804   53.301  468.781   62.976  616.934  100.080  192.471   13.182  219.654   18.415 -27.18318 22.64720 
1 1 1   12   21   15 o  349.299   25.722  1583.14  222.786  1583.14  222.786   0.0000   0.0000  349.299   25.722  ?   ?  0.000000 25.72209 
1 1 1   12   21   16 o  364.033   18.779  1689.44  170.129  1756.55  237.902  1619.20  243.390  367.751   26.075  352.023   27.916 15.72836 38.19962 
1 1 1   12   21   17 o  323.260   14.021  1318.37  113.186  1406.11  137.584  1134.66  199.088  333.170   16.537  294.528   27.382 38.64233 31.98835 
1 1 1   12   21   18 o  170.610   11.118  367.372   47.110  404.114   55.866  276.934   87.647  178.711   12.599  144.594   25.189 34.11713 28.16425 
1 1 1   12   21   19 o   69.029   23.743   56.502   49.515   0.0000   0.0000   56.502   49.515  ?   ?    69.029   23.743 0.000000 23.74318 
1 1 1   12   21   20 o  178.160   12.651  401.759   55.919  401.759   55.919   0.0000   0.0000  178.160   12.651  ?   ?  0.000000 12.65125 
1 1 1   12   21   21 o  285.672   16.207  1036.98  115.143  1117.40  160.042  950.704  165.783  294.500   21.919  270.325   24.836 24.17474 33.12525 
1 1 1   12   21   22 o  137.891   10.694  240.337   36.536  258.883   42.760  190.175   70.323  142.909   12.095  119.424   24.405 23.48546 27.23773 
1 1 1   12   21   23 o  252.346   11.861  801.416   74.740  833.472   90.440  732.367  132.736  256.533   14.173  237.788   22.626 18.74538 26.69875 
1 1 1   12   21   24 o  205.907   11.161  534.665   57.173  571.276   69.137  455.469  101.685  212.473   13.094  187.191   22.185 25.28220 25.76074 
1 1 1   12   21   25 o  174.482   10.581  383.938   45.887  401.812   55.427  344.999   81.807  178.162   12.538  163.077   20.544 15.08498 24.06828 
1 1 1   12   21   26 o  352.015   13.985  1564.68  122.939  1651.88  150.622  1390.66  212.783  360.827   16.716  326.321   26.336 34.50558 31.19366 
1 1 1   12   21   27 o  223.499   20.074  643.147  110.842  643.147  110.842   0.0000   0.0000  223.499   20.074  ?   ?  0.000000 20.07413 
1 1 1   12   21   28 o  525.956   36.510  3742.08  476.551  3742.08  476.551   0.0000   0.0000  525.956   36.510  ?   ?  0.000000 36.50964 
1 1 1   12   21   29 o   89.448   9.2237  101.470   20.307  108.085   24.412   86.610   36.589   92.092   10.822   80.881   18.515 11.21088 21.44575 
1 1 1   12   21   30 o  152.317   10.691  293.169   40.408  325.405   48.537  220.374   72.938  160.229   12.223  128.794   23.546 31.43524 26.52921 
1 1 1   12   21   31 o  128.366   8.7053  207.710   27.740  201.256   30.982  233.805   62.295  126.168   9.9133  133.970   19.167 -7.802017 21.57893 
1 1 1   12   21   32 o  227.031   12.689  652.855   71.653  652.855   71.653   0.0000   0.0000  227.031   12.689  ?   ?  0.000000 12.68937 
1 1 1   12   21   33 o  105.577   11.637  142.280   30.170  142.280   30.170   0.0000   0.0000  105.577   11.637  ?   ?  0.000000 11.63678 
1 1 1   12   21   34 f  130.618   11.603  217.142   37.452  217.142   37.452   0.0000   0.0000  130.618   11.603  ?   ?  0.000000 11.60279 
1 1 1   12   21   35 o  345.387   17.249  1532.99  148.773  1532.99  148.773   0.0000   0.0000  345.387   17.249  ?   ?  0.000000 17.24907 
1 1 1   12   21   36 o   44.197   15.274   22.849   20.504   22.849   20.504   0.0000   0.0000   44.197   15.274  ?   ?  0.000000 15.27443 
1 1 1   12   21   37 o  300.590   12.430  1150.36   93.301  1219.06  115.459  1021.07  158.387  308.078   15.008  275.888   23.205 32.19046 27.63552 
1 1 1   12   21   38 o  108.108   10.817  149.804   28.811  188.210   45.384  123.876   37.289  119.802   15.536   96.683   16.005 23.11901 22.30477 
1 1 1   12   21   39 o  182.162   12.540  426.805   56.696  446.327   83.788  410.316   77.003  183.197   18.572  176.047   17.758 7.149323 25.69582 
1 1 1   12   22    0 o  113.687   15.365  166.998   42.502  182.739   53.625  140.403   69.704  118.096   18.815  101.526   27.018 16.56966 32.92403 
1 1 1   12   22    1 o  106.350   25.734  153.458   67.605   0.0000   0.0000  153.458   67.605  ?   ?   106.350   25.734 0.000000 25.73449 
1 1 1   12   22    2 o  206.035   14.241  539.918   72.821  513.083   97.484  573.795  109.533  199.103   19.872  210.178   21.157 -11.07552 29.02621 
1 1 1   12   22    3 o   66.390   18.226   58.039   31.137   64.585   37.648   43.868   55.390   70.167   20.318   66.037   24.794 4.130272 32.05534 
1 1 1   12   22    4 o  216.577   14.343  595.988   77.132  564.901  104.129  633.782  114.814  209.053   20.198  221.225   21.036 -12.17180 29.16305 
1 1 1   12   22    5 o  178.308   14.224  404.498   62.808  432.655   83.441  367.690   95.403  183.314   18.480  167.260   23.489 16.05356 29.88688 
1 1 1   12   22    6 o  179.820   18.834  416.711   83.318  416.711   83.318   0.0000   0.0000  179.820   18.834  ?   ?  0.000000 18.83404 
1 1 1   12   22    7 o  117.392   14.695  176.900   42.135  191.376   54.131  154.645   67.119  121.277   18.456  107.177   25.456 14.10011 31.44256 
1 1 1   12   22    8 o  217.314   14.126  598.995   76.245  547.661  102.905  661.475  113.529  206.042   20.262  226.608   20.277 -20.56567 28.66510 
1 1 1   12   22    9 o  280.135   16.005  997.434  111.501  1019.02  154.345  973.870  161.255  280.913   22.183  273.895   23.813 7.018555 32.54480 
1 1 1   12   22   10 o   85.475   16.182   95.521   33.275   90.415   41.331  104.927   56.098   82.535   20.214   88.762   24.504 -6.227501 31.76574 
1 1 1   12   22   11 o  124.908   22.784  206.238   68.448   0.0000   0.0000  206.238   68.448  ?   ?   124.908   22.784 0.000000 22.78383 
1 1 1   12   22   12 o  131.004   10.679  217.064   34.632  222.420   39.808  200.393   70.231  132.370   12.180  122.829   23.756 9.540909 26.69627 
1 1 1   12   22   13 o  428.843   16.951  2333.32  181.529  2367.88  221.117  2261.89  317.925  430.392   20.573  413.621   31.006 16.77087 37.21058 
1 1 1   12   22   14 o  161.757   10.794  330.273   43.351  336.443   50.654  313.380   83.811  162.962   12.544  154.819   22.324 8.143341 25.60629 
1 1 1   12   22   15 o  215.734   11.637  587.213   62.458  613.510   74.588  525.502  114.259  220.106   13.637  200.917   23.200 19.18889 26.91092 
1 1 1   12   22   16 o  143.656   18.208  266.427   63.853  266.427   63.853   0.0000   0.0000  143.656   18.208  ?   ?  0.000000 18.20819 
1 1 1   12   22   17 o  247.602   11.895  771.631   73.547  774.338   88.187  765.445  133.292  247.188   14.348  243.296   22.183 3.891891 26.41892 
1 1 1   12   22   18 o  278.154   23.246  1002.08  159.984   0.0000   0.0000  1002.08  159.984  ?   ?   278.154   23.246 0.000000 23.24554 
1 1 1   12   22   19 o  141.273   10.475  252.120   36.693  245.697   42.286  271.695   73.821  139.145   12.296  144.274   21.115 -5.128922 24.43433 
1 1 1   12   22   20 o  354.600   14.513  1589.13  128.516  1599.53  156.083  1567.24  226.465  354.747   17.619  346.502   26.370 8.245087 31.71493 
1 1 1   12   22   21 o  128.478   10.567  208.814   33.602  209.344   38.787  207.221   67.272  128.357   12.250  125.298   22.318 3.058990 25.45895 
1 1 1   12   22   22 o  287.691   15.746  1051.40  112.692  1023.86  155.752  1081.67  163.254  281.465   22.343  289.149   22.794 -7.683441 31.91866 
1 1 1   12   22   23 o  277.558   12.669  970.978   87.810  1025.98  106.270  852.595  155.903  284.394   15.017  255.694   24.725 28.69920 28.92816 
1 1 1   12   22   24 o  296.780   13.121  1110.91   97.244  1178.37  118.164  969.340  171.175  304.650   15.584  272.421   25.457 32.22934 29.84877 
1 1 1   12   22   25 o  222.851   11.604  626.687   64.353  708.171   77.740  449.296  114.703  236.575   13.212  184.611   25.567 51.96390 28.77906 
1 1 1   12   22   26 o  202.677   10.768  517.883   54.303  567.807   65.737  410.621   96.356  211.907   12.478  177.484   22.228 34.42305 25.49077 
1 1 1   12   22   27 o  298.043   22.981  1150.77  169.719  1150.77  169.719   0.0000   0.0000  298.043   22.981  ?   ?  0.000000 22.98087 
1 1 1   12   22   28 o  109.858   9.4028  152.608   25.547  166.623   31.556  125.951   43.520  114.546   11.174   97.886   18.481 16.65953 21.59673 
1 1 1   12   22   29 o  103.034   8.6212  134.095   21.978  139.348   26.518  122.569   39.277  104.801   10.264   96.884   16.846 7.917297 19.72694 
1 1 1   12   22   30 o  373.848   15.295  1771.90  142.791  2005.50  174.677  1301.38  247.906  396.742   17.631  310.962   32.401 85.77988 36.88702 
1 1 1   12   23    0 o   69.725   18.938   64.522   33.827   80.871   39.641   20.724   64.881   77.775   20.222   62.573   25.760 15.20216 32.74905 
1 1 1   12   23    1 o  240.924   15.515  741.250   92.847  788.116  125.976  685.521  137.373  246.377   20.667  227.890   24.525 18.48651 32.07188 
1 1 1   12   23    2 o  140.989   23.787  264.963   80.766   0.0000   0.0000  264.963   80.766  ?   ?   140.989   23.787 0.000000 23.78655 
1 1 1   12   23    3 o  401.310   20.616  2078.72  205.904  2226.33  287.892  1924.15  294.608  409.523   28.325  377.961   31.501 31.56155 42.36300 
1 1 1   12   23    4 o  110.375   15.468  157.555   41.463  198.435   52.613   90.560   67.354  123.566   17.543   84.090   27.684 39.47584 32.77449 
1 1 1   12   23    5 o  242.347   15.595  748.674   93.877  851.046  128.600  631.886  137.356  256.711   20.225  218.724   25.634 37.98686 32.65169 
1 1 1   12   23    6 o  282.646   16.158  1018.33  113.575  1020.06  156.001  1016.37  165.675  280.240   22.481  278.978   24.015 1.262177 32.89585 
1 1 1   12   23    7 o  246.589   20.984  786.558  127.985  786.558  127.985   0.0000   0.0000  246.589   20.984  ?   ?  0.000000 20.98376 
1 1 1   12   23    8 o  217.018   14.624  598.823   78.792  621.347  106.542  571.636  117.056  219.523   19.643  209.357   22.756 10.16608 30.06158 
1 1 1   12   23    9 o   83.719   16.825   92.145   33.953  109.027   41.622   58.564   58.702   90.793   18.969   71.867   25.760 18.92600 31.99042 
1 1 1   12   23   10 o  226.990   14.602  654.566   82.332  650.894  111.854  658.909  121.630  224.626   20.155  225.377   21.887 -0.7506409 29.75377 
1 1 1   12   23   11 f  207.016   14.119  544.155   72.552  535.168   97.980  555.064  107.952  203.767   19.493  206.981   21.184 -3.213593 28.78819 
1 1 1   12   23   12 f  141.503   22.197  263.177   75.855   0.0000   0.0000  263.177   75.855  ?   ?   141.503   22.197 0.000000 22.19708 
1 1 1   12   23   13 o  287.396   12.974  1041.93   93.113  1051.87  112.148  1019.87  167.061  287.685   15.670  279.922   24.135 7.762207 28.77601 
1 1 1   12   23   14 o  179.308   10.766  405.695   47.984  387.404   56.130  455.352   92.483  174.789   12.952  187.700   20.041 -12.91112 23.86168 
1 1 1   12   23   15 o  480.294   18.088  2937.53  216.948  2822.96  264.103  3175.24  380.426  468.291   22.584  489.107   31.311 -20.81589 38.60635 
1 1 1   12   23   16 o  238.354   11.588  715.137   68.976  685.349   82.212  785.954  126.761  232.442   14.232  246.885   20.753 -14.44330 25.16443 
1 1 1   12   23   17 o  273.378   21.992  966.106  148.866  966.106  148.866   0.0000   0.0000  273.378   21.992  ?   ?  0.000000 21.99238 
1 1 1   12   23   18 o  118.362   10.958  177.667   32.020  187.890   36.267  141.521   68.197  121.545   12.110  102.407   26.474 19.13778 29.11202 
1 1 1   12   23   19 o  542.568   20.160  3766.43  273.141  3690.85  333.011  3921.81  477.475  533.656   24.989  539.068   35.671 -5.411743 43.55321 
1 1 1   12   23   20 o  360.915   14.785  1648.06  133.250  1648.55  161.570  1647.03  235.615  359.837   17.981  354.640   26.803 5.197418 32.27545 
1 1 1   12   23   21 o   89.866   10.976  103.053   24.120   87.182   26.576  177.219   57.448   82.078   13.431  116.043   20.578 -33.96482 24.57346 
1 1 1   12   23   22 o  112.696   13.982  162.832   38.502  172.158   47.346  144.624   66.157  115.251   16.958  103.575   25.701 11.67555 30.79112 
1 1 1   12   23   23 o  161.907   10.455  330.836   42.046  327.092   48.872  341.502   82.487  160.660   12.275  162.011   20.874 -1.351288 24.21567 
1 1 1   12   23   24 o  116.903   10.402  173.098   30.050  170.558   34.038  182.075   63.983  115.771   11.945  117.081   22.703 -1.310059 25.65405 
1 1 1   12   23   25 o  143.136   9.9969  258.618   35.508  240.328   41.348  309.995   69.301  137.588   12.160  154.979   18.257 -17.39131 21.93547 
1 1 1   12   23   26 o  104.084   10.166  137.408   26.086  140.873   29.979  126.605   52.937  105.155   11.610   97.355   22.259 7.799423 25.10509 
1 1 1   12   23   27 o  246.296   20.355  782.130  124.074  782.130  124.074   0.0000   0.0000  246.296   20.355  ?   ?  0.000000 20.35549 
1 1 1   12   23   28 o   82.709   9.4337   87.001   19.136   83.920   23.055   93.822   34.308   80.799   11.773   84.484   16.853 -3.684990 20.55729 
1 1 1   12   23   29 o  308.050   12.680  1197.49   97.540  1184.20  119.271  1224.34  169.485  305.093   15.708  307.419   22.227 -2.326508 27.21771 
1 1 1   12   24    0 o  148.036   14.946  281.613   54.497  309.961   68.523  232.824   89.897  154.399   18.117  129.813   28.512 24.58595 33.78042 
1 1 1   12   24    1 o  296.764   16.932  1129.75  124.956  1154.80  170.927  1100.99  183.132  296.595   23.264  288.011   25.734 8.583282 34.69094 
1 1 1   12   24    2 o  168.091   15.391  362.495   63.888  514.464   84.658  161.450   97.372  199.902   17.124  108.038   33.030 91.86428 37.20520 
1 1 1   12   24    3 o  172.344   22.906  392.264   96.139   0.0000   0.0000  392.264   96.139  ?   ?   172.344   22.906 0.000000 22.90575 
1 1 1   12   24    4 o  207.944   15.134  552.297   78.048  658.009  105.374  423.822  116.166  225.726   18.867  177.564   27.053 48.16154 32.98238 
1 1 1   12   24    5 o  126.430   14.602  205.373   45.254  218.031   57.106  184.006   74.195  129.361   18.180  116.292   26.180 13.06861 31.87292 
1 1 1   12   24    6 o  179.511   14.453  411.102   64.240  465.597   85.399  340.076   97.495  189.967   18.226  159.603   25.306 30.36348 31.18649 
1 1 1   12   24    7 o  147.538   14.356  278.334   52.223  299.681   67.294  246.014   82.803  152.140   18.066  135.281   25.445 16.85921 31.20598 
1 1 1   12   24    8 o   29.874   13.788 -18.8520   24.004 -18.8520   24.004   0.0000   0.0000   29.874   13.788  ?   ?  0.000000 13.78802 
1 1 1   12   24    9 o  211.427   14.606  569.025   76.645  599.388  103.154  531.604  114.518  215.491   19.376  201.415   23.192 14.07553 30.22106 
1 1 1   12   24   10 o  172.230   13.959  377.688   59.520  378.939   77.734  375.916   92.534  171.294   18.465  169.292   22.442 2.001785 29.06138 
1 1 1   12   24   11 o  201.218   13.956  514.559   69.691  485.193   92.643  552.839  105.773  193.778   19.406  206.467   20.798 -12.68855 28.44571 
1 1 1   12   24   12 o  121.883   14.218  190.427   42.461  197.823   53.676  178.059   69.412  123.347   17.953  115.017   24.890 8.330009 30.68870 
1 1 1   12   24   13 o  165.219   21.807  356.986   87.772   0.0000   0.0000  356.986   87.772  ?   ?   165.219   21.807 0.000000 21.80678 
1 1 1   12   24   14 o  148.218   10.897  277.893   40.052  295.233   46.113  224.630   80.819  152.551   12.207  129.235   25.944 23.31598 28.67241 
1 1 1   12   24   15 o  417.381   16.622  2214.33  173.253  2235.44  210.560  2170.07  304.859  417.612   20.191  403.923   30.448 13.68976 36.53394 
1 1 1   12   24   16 o  546.052   20.943  3828.91  285.572  3969.43  348.534  3541.86  498.129  552.516   25.261  506.233   39.723 46.28366 47.07469 
1 1 1   12   24   17 o  413.902   30.290  2275.53  310.904   0.0000   0.0000  2275.53  310.904  ?   ?   413.902   30.290 0.000000 30.29041 
1 1 1   12   24   18 o  207.973   19.176  557.152   98.469  557.152   98.469   0.0000   0.0000  207.973   19.176  ?   ?  0.000000 19.17610 
1 1 1   12   24   19 o  549.921   20.472  3877.67  281.137  3841.17  342.814  3952.64  491.290  543.619   25.253  538.820   36.732 4.799011 44.57512 
1 1 1   12   24   20 o  264.859   12.239  884.304   80.948  879.345   96.830  895.812  147.512  263.141   14.796  262.662   22.713 0.4787598 27.10709 
1 1 1   12   24   21 o  105.079   10.761  140.305   27.838  145.888   30.836  115.706   64.725  106.999   11.733   92.937   26.561 14.06171 29.03712 
1 1 1   12   24   22 o  172.790   10.531  376.789   45.221  362.239   52.199  420.564   90.539  169.048   12.453  180.062   20.501 -11.01382 23.98685 
1 1 1   12   24   23 o   79.577   14.837   82.669   28.399   54.663   32.358  176.572   59.251   64.768   18.860  115.565   21.317 -50.79697 28.46243 
1 1 1   12   24   24 o  139.348   10.351  245.433   35.761  244.041   40.742  250.106   74.640  138.683   11.879  137.707   22.481 0.9759979 25.42647 
1 1 1   12   24   25 o  116.638   10.082  172.230   29.076  155.419   32.612  237.387   64.205  110.420   12.021  134.915   19.633 -24.49541 23.02106 
1 1 1   12   24   26 o  133.986   11.036  227.428   36.595  278.994   42.763   86.353   70.732  148.382   11.634   83.428   28.385 64.95426 30.67635 
1 1 1   12   24   27 o  325.388   16.907  1350.52  136.909  1350.52  136.909   0.0000   0.0000  325.388   16.907  ?   ?  0.000000 16.90749 
1 1 1   12   24   28 o   58.220   10.365   43.886   14.516   47.540   16.603   32.026   29.908   60.468   11.414   52.825   18.437 7.643600 21.68401 
1 1 1   12   24   29 o   62.029   11.420   49.979   17.038   55.191   22.958   43.589   25.421   64.758   14.551   57.866   16.679 6.892204 22.13413 
1 1 1   12   25    0 o  170.358   14.239  371.693   60.019  326.921   74.951  451.722  100.206  157.982   19.406  184.856   22.148 -26.87387 29.44766 
1 1 1   12   25    1 o  258.851   15.962  859.101  102.675  866.736  137.683  849.535  154.111  257.230   21.635  252.870   24.722 4.359253 32.85173 
1 1 1   12   25    2 o   86.746   17.782   99.894   37.225  126.184   43.829   31.840   70.517   97.522   18.678   67.137   27.148 30.38482 32.95259 
1 1 1   12   25    3 o  140.721   15.217  254.965   52.623  314.523   66.421  154.556   86.243  155.800   17.368  105.580   30.804 50.21912 35.36252 
1 1 1   12   25    4 o  154.567   23.917  318.879   89.332   0.0000   0.0000  318.879   89.332  ?   ?   154.567   23.917 0.000000 23.91652 
1 1 1   12   25    5 o  276.976   16.699  983.224  114.962  1092.22  157.607  859.290  168.058  289.311   21.980  253.675   26.942 35.63641 34.77035 
1 1 1   12   25    6 o  145.815   14.836  272.814   53.269  335.566   68.337  175.640   85.039  161.164   17.248  112.603   29.784 48.56152 34.41761 
1 1 1   12   25    7 o  175.449   14.654  393.419   63.617  464.356   83.908  297.511   97.566  189.681   17.927  148.056   27.398 41.62468 32.74178 
1 1 1   12   25    8 o  212.390   14.808  575.395   78.048  612.683  104.351  528.049  117.584  217.588   19.409  200.005   24.023 17.58212 30.88393 
1 1 1   12   25    9 o  122.267   18.137  195.104   53.697  195.104   53.697   0.0000   0.0000  122.267   18.137  ?   ?  0.000000 18.13687 
1 1 1   12   25   10 o  240.030   15.554  735.195   92.728  814.259  125.899  641.449  137.090  250.822   20.274  220.195   25.397 30.62642 32.49670 
1 1 1   12   25   11 o  211.103   14.262  567.160   74.745  544.147   99.340  597.190  113.477  205.027   19.643  214.138   21.512 -9.111069 29.13100 
1 1 1   12   25   12 o  250.144   15.051  796.755   93.581  767.101  126.435  832.681  139.167  243.198   21.026  252.889   22.264 -9.690903 30.62307 
1 1 1   12   25   13 o  180.467   13.805  414.465   61.741  402.070   80.900  431.755   95.548  176.368   18.652  181.868   21.451 -5.500305 28.42605 
1 1 1   12   25   14 o  156.588   22.602  322.886   85.823   0.0000   0.0000  322.886   85.823  ?   ?   156.588   22.602 0.000000 22.60232 
1 1 1   12   25   15 o  275.699   13.223  960.636   91.035  1074.62  109.406  704.078  164.135  290.686   15.124  229.157   29.357 61.52904 33.02420 
1 1 1   12   25   16 o  328.964   26.107  1422.43  212.702   0.0000   0.0000  1422.43  212.702  ?   ?   328.964   26.107 0.000000 26.10696 
1 1 1   12   25   17 o  227.626   13.832  657.756   78.253  657.756   78.253   0.0000   0.0000  227.626   13.832  ?   ?  0.000000 13.83219 
1 1 1   12   25   18 o  120.687   10.900  184.792   32.497  196.464   36.250  137.025   73.333  124.302   11.821  100.529   28.113 23.77325 30.49747 
1 1 1   12   25   19 o  393.748   28.263  2049.31  276.051  2049.31  276.051   0.0000   0.0000  393.748   28.263  ?   ?  0.000000 28.26310 
1 1 1   12   25   20 o  305.759   12.900  1180.40   98.496  1106.46  117.926  1350.98  179.119  294.708   16.085  322.848   22.355 -28.13992 27.54014 
1 1 1   12   25   21 o  179.840   11.236  408.794   50.205  459.996   58.540  266.397   97.624  190.575   12.368  139.934   28.894 50.64104 31.43003 
1 1 1   12   25   22 o  161.474   10.439  329.273   41.870  315.110   47.600  377.701   88.020  157.621   12.188  170.199   21.167 -12.57771 24.42510 
1 1 1   12   25   23 o  250.275   15.782  798.155   98.127  881.750  133.211  698.979  145.095  261.309   20.581  230.332   25.662 30.97722 32.89571 
1 1 1   12   25   24 o  148.548   10.439  278.886   38.479  276.366   43.498  287.958   82.517  147.605   11.902  147.639   23.142 -0.3384399E-01 26.02344 
1 1 1   12   25   25 o  393.815   16.337  1971.66  160.664  2104.31  195.292  1693.87  282.611  405.423   19.290  354.818   32.248 50.60446 37.57673 
1 1 1   12   25   26 o  186.565   10.262  439.044   47.627  427.839   55.671  469.630   91.977  183.776   12.200  190.501   19.615 -6.725250 23.09945 
1 1 1   12   25   27 o  282.751   21.949  1037.46  153.762  1037.46  153.762   0.0000   0.0000  282.751   21.949  ?   ?  0.000000 21.94876 
1 1 1   12   25   28 o  131.433   10.084  218.514   32.844  239.518   38.795  165.374   61.709  137.401   11.410  111.110   22.998 26.29054 25.67296 
1 1 1   12   26    0 o  151.406   16.610  297.521   61.768  454.632   78.711   45.676   99.655  187.354   17.009   78.330   32.048 109.0232 36.28237 
1 1 1   12   26    1 o  122.993   18.782  199.440   55.856  199.440   55.856   0.0000   0.0000  122.993   18.782  ?   ?  0.000000 18.78179 
1 1 1   12   26    2 o  117.151   16.036  178.589   45.680  212.193   55.307  106.463   81.027  127.291   17.893   90.009   30.381 37.28138 35.25906 
1 1 1   12   26    3 o  111.119   16.356  161.119   44.028  206.195   53.372   65.105   77.894  125.625   17.487   77.725   29.355 47.89957 34.16921 
1 1 1   12   26    4 o  209.057   15.410  560.310   79.881  640.518  105.881  454.338  121.704  222.009   19.290  182.964   27.487 39.04530 33.58028 
1 1 1   12   26    5 o  233.223   24.025  720.243  137.919   0.0000   0.0000  720.243  137.919  ?   ?   233.223   24.025 0.000000 24.02509 
1 1 1   12   26    6 o  151.963   14.522  296.136   54.436  315.259   69.258  265.227   88.049  155.725   18.150  139.716   26.199 16.00890 31.87181 
1 1 1   12   26    7 o   61.040   18.188   48.528   29.802   67.895   34.097 -14.1331   61.333   71.390   18.849   53.167   23.496 18.22335 30.12190 
1 1 1   12   26    8 o  303.789   16.913  1183.12  127.797  1183.65  174.800  1182.51  187.312  300.274   23.499  298.962   25.328 1.311401 34.55010 
1 1 1   12   26    9 o  129.170   13.856  213.888   43.997  176.542   53.300  293.758   77.946  115.809   19.096  149.232   21.540 -33.42386 28.78559 
1 1 1   12   26   10 o   98.403   18.612  128.032   44.061  128.032   44.061   0.0000   0.0000   98.403   18.612  ?   ?  0.000000 18.61236 
1 1 1   12   26   11 o  140.859   13.732  253.681   47.688  227.920   59.000  302.224   80.990  132.205   18.367  151.304   22.086 -19.09923 28.72559 
1 1 1   12   26   12 o  369.766   19.656  1762.73  180.848  1905.46  251.291  1609.37  260.472  379.543   26.683  345.740   30.481 33.80313 40.51009 
1 1 1   12   26   13 o   51.033   17.274   31.099   26.195   38.380   29.228   1.3786   59.050   55.700   18.232   55.623   23.825 0.7760239E-01 30.00037 
1 1 1   12   26   14 o  294.217   17.054  1107.94  124.758  1205.50  171.384  997.974  181.961  304.109   22.732  274.232   26.918 29.87772 35.23262 
1 1 1   12   26   15 o  157.492   23.172  328.000   88.407   0.0000   0.0000  328.000   88.407  ?   ?   157.492   23.172 0.000000 23.17168 
1 1 1   12   26   16 o  193.817   11.386  475.095   54.867  497.609   63.765  410.890  107.682  198.003   12.968  175.797   25.254 22.20657 28.38896 
1 1 1   12   26   17 o  198.605   11.196  498.522   55.301  495.752   64.147  506.541  109.134  197.618   13.072  196.634   22.639 0.9842987 26.14190 
1 1 1   12   26   18 o  257.173   11.858  834.170   76.151  783.203   89.940  963.213  143.112  248.149   14.578  272.625   21.188 -24.47646 25.71851 
1 1 1   12   26   19 o  148.030   10.026  276.810   36.845  232.215   40.589  485.623   87.831  135.132   12.158  194.090   18.339 -58.95804 22.00307 
1 1 1   12   26   20 o  281.328   12.807  999.762   89.975  1006.46  107.237  983.833  165.371  281.171   15.331  273.992   24.426 7.179626 28.83849 
1 1 1   12   26   21 o   61.208   12.574   48.998   18.576   48.161   19.458   57.608   62.433   60.582   13.232   72.357   26.476 -11.77493 29.59827 
1 1 1   12   26   22 o   86.538   11.354   95.930   23.944  102.325   25.630   52.055   67.129   89.341   11.775   71.965   27.234 17.37527 29.67062 
1 1 1   12   26   23 o  127.278   10.167  205.025   32.044  212.180   35.279  171.287   76.607  129.343   11.028  112.014   27.572 17.32864 29.69607 
1 1 1   12   26   24 o  352.951   18.854  1599.19  165.571  1696.70  229.324  1493.01  239.299  359.424   25.720  334.906   28.896 24.51801 38.68478 
1 1 1   12   26   25 o  392.984   15.253  1960.74  149.691  1886.75  180.885  2121.53  266.640  383.815   18.873  401.182   26.769 -17.36722 32.75295 
1 1 1   12   26   26 o  184.741   10.401  430.841   47.789  421.062   55.242  459.922   95.268  182.250   12.209  187.996   20.632 -5.746765 23.97383 
1 1 1   12   26   27 o  363.001   26.360  1738.31  237.318  1738.31  237.318   0.0000   0.0000  363.001   26.360  ?   ?  0.000000 26.35998 
1 1 1   12   26   28 f   67.532   9.2943   58.377   15.259   55.913   16.416   74.019   41.361   65.878   10.318   74.689   21.194 -8.811409 23.57168 
1 1 1   12   27    0 o  150.344   16.092  293.518   59.477  367.481   73.372  151.787  101.568  167.726   17.789  103.682   33.989 64.04429 38.36290 
1 1 1   12   27    1 o  120.459   16.268  189.454   47.684  219.082   56.493  116.050   88.922  129.084   18.017   93.087   31.825 35.99735 36.57097 
1 1 1   12   27    2 o   56.713   19.271   39.180   32.601   39.180   32.601   0.0000   0.0000   56.713   19.271  ?   ?  0.000000 19.27050 
1 1 1   12   27    3 o  210.810   15.846  572.042   82.810  671.774  108.922  435.438  127.477  226.898   19.411  177.050   29.897 49.84802 35.64583 
1 1 1   12   27    4 o  149.503   15.060  288.010   55.460  320.066   68.928  229.155   93.397  156.709   17.937  127.703   29.827 29.00671 34.80474 
1 1 1   12   27    5 o  129.342   14.939  215.999   47.363  214.666   57.226  218.898   84.392  127.859   18.458  125.734   27.632 2.125000 33.22960 
1 1 1   12   27    6 o  142.624   15.754  262.810   55.172  357.111   69.735  105.013   90.207  166.066   17.058   90.854   31.999 75.21233 36.26226 
1 1 1   12   27    7 o   97.444   28.477  130.518   73.653   0.0000   0.0000  130.518   73.653  ?   ?    97.444   28.477 0.000000 28.47727 
1 1 1   12   27    8 o  117.576   15.476  179.120   44.334  214.329   54.161  107.623   77.180  128.232   17.360   90.214   29.631 38.01839 34.34206 
1 1 1   12   27    9 o  183.960   15.621  434.451   71.081  571.092   93.484  247.195  109.437  210.208   17.982  132.034   33.220 78.17316 37.77446 
1 1 1   12   27   10 f  113.983   14.858  167.899   41.286  163.603   49.449  177.786   75.015  111.518   18.399  113.756   26.841 -2.238533 32.54121 
1 1 1   12   27   11 o   81.921   18.936   89.606   37.963   89.606   37.963   0.0000   0.0000   81.921   18.936  ?   ?  0.000000 18.93617 
1 1 1   12   27   12 o  170.977   14.540  373.917   61.491  407.938   78.670  320.491   98.584  177.554   17.991  153.934   26.609 23.61967 32.12021 
1 1 1   12   27   13 o  153.374   14.862  301.631   56.209  363.909   71.470  200.655   91.005  167.864   17.298  120.108   30.334 47.75618 34.91946 
1 1 1   12   27   14 o  171.781   14.844  377.587   63.050  438.105   81.305  286.296   99.859  184.162   17.906  144.588   28.670 39.57368 33.80199 
1 1 1   12   27   15 o  198.217   14.757  501.633   72.523  538.222   94.668  449.657  112.831  203.994   18.795  183.738   25.259 20.25555 31.48464 
1 1 1   12   27   16 o  176.065   24.178  411.111  103.495   0.0000   0.0000  411.111  103.495  ?   ?   176.065   24.178 0.000000 24.17762 
1 1 1   12   27   17 f  243.389   15.176  755.592   91.780  751.881  121.918  760.446  139.429  240.729   20.475  240.696   23.497 0.3332520E-01 31.16630 
1 1 1   12   27   18 o  184.748   10.980  431.583   50.427  424.856   57.837  452.904  102.971  182.900   12.743  185.614   22.688 -2.713959 26.02128 
1 1 1   12   27   19 o  181.597   11.069  417.098   49.955  435.096   57.327  360.309  101.831  185.174   12.470  164.132   25.687 21.04257 28.55390 
1 1 1   12   27   20 o  195.784   18.452  494.940   89.147  494.940   89.147   0.0000   0.0000  195.784   18.452  ?   ?  0.000000 18.45154 
1 1 1   12   27   21 o  211.596   10.768  565.361   56.710  498.739   65.133  774.129  115.298  198.124   13.241  244.998   18.994 -46.87389 23.15376 
1 1 1   12   27   22 o   99.314   10.671  125.604   26.050  113.325   27.869  210.572   73.309   93.989   12.159  125.184   24.327 -31.19406 27.19657 
1 1 1   12   27   23 o   43.921   12.861   24.825   15.009   23.619   15.409   47.155   66.288   43.116   13.131   70.184   26.942 -27.06881 29.97177 
1 1 1   12   27   24 o  177.623   14.254  402.498   62.693  417.450   79.711  378.247  101.514  179.804   17.994  168.567   24.862 11.23714 30.69093 
1 1 1   12   27   25 o   92.793   10.292  109.688   23.447  107.655   24.830  126.423   71.245   91.780   11.056   96.506   27.952 -4.726845 30.05923 
1 1 1   12   27   26 o   87.398   11.594   98.010   24.679  107.058   26.338   32.885   70.661   91.362   11.821   67.706   27.247 23.65604 29.70068 
1 1 1   12   27   27 o  220.464   11.014  612.836   60.636  651.432   71.633  515.278  113.888  226.594   12.711  197.556   23.549 29.03770 26.76076 
1 1 1   12   27   28 o  130.695   8.7875  215.611   28.513  224.876   35.323  198.285   48.305  133.142   10.715  123.730   16.009 9.412071 19.26402 
1 1 1   12   27   29 o  220.236   12.887  616.543   70.564  543.077   98.803  693.026  100.811  204.256   19.612  231.841   17.543 -27.58524 26.31287 
1 1 1   12   28    0 o  104.877   17.014  145.621   43.033  160.290   49.448   99.838   87.358  109.527   18.754   87.590   31.421 21.93660 36.59218 
1 1 1   12   28    1 o  181.440   16.290  427.399   73.020  538.463   92.695  245.769  118.540  202.731   18.514  128.296   35.696 74.43466 40.21138 
1 1 1   12   28    2 o  127.138   15.406  210.178   47.914  204.179   56.334  225.869   91.102  124.129   18.759  126.042   29.471 -1.913322 34.93499 
1 1 1   12   28    3 o   69.482   19.979   64.595   36.515   64.595   36.515   0.0000   0.0000   69.482   19.979  ?   ?  0.000000 19.97851 
1 1 1   12   28    4 o   80.481   17.466   86.569   34.095   65.812   37.776  177.767   79.181   70.191   20.361  112.446   28.238 -42.25501 34.81292 
1 1 1   12   28    5 o  218.519   16.396  616.260   88.818  753.270  116.986  429.814  136.469  240.048   19.689  174.003   32.605 66.04546 38.08863 
1 1 1   12   28    6 o   98.311   16.622  127.202   39.352  136.719   45.444   98.671   78.681  101.409   18.632   87.141   29.932 14.26738 35.25758 
1 1 1   12   28    7 o  106.526   15.658  147.987   40.410  144.420   47.172  157.825   78.332  104.283   18.806  106.249   28.801 -1.966423 34.39763 
1 1 1   12   28    8 o   72.037   27.798   51.120   70.827   0.0000   0.0000   51.120   70.827  ?   ?    72.037   27.798 0.000000 27.79772 
1 1 1   12   28    9 o  150.627   15.135  292.142   56.158  343.805   70.088  199.494   93.858  162.726   17.524  118.844   31.221 43.88251 35.80321 
1 1 1   12   28   10 o  274.388   16.651  967.484  113.555  1023.11  152.864  898.991  169.623  279.237   22.103  258.858   26.620 20.37933 34.59978 
1 1 1   12   28   11 o  150.333   14.910  290.523   55.236  337.811   69.187  207.410   91.724  161.406   17.443  121.650   30.306 39.75633 34.96720 
1 1 1   12   28   12 o  345.910   25.961  1591.00  222.612  1591.00  222.612   0.0000   0.0000  345.910   25.961  ?   ?  0.000000 25.96060 
1 1 1   12   28   13 o  184.609   14.822  436.340   67.754  461.900   85.966  394.428  110.083  188.711   18.479  170.833   26.677 17.87808 32.45193 
1 1 1   12   28   14 o   78.130   17.012   80.999   32.251   76.757   36.195   97.337   71.043   75.776   19.126   86.347   28.432 -10.57041 34.26654 
1 1 1   12   28   15 o  103.134   17.805  139.953   44.200  139.953   44.200   0.0000   0.0000  103.134   17.805  ?   ?  0.000000 17.80546 
1 1 1   12   28   16 o  290.431   16.913  1081.90  122.131  1130.86  165.342  1023.10  181.181  293.881   22.706  277.143   26.502 16.73856 34.89911 
1 1 1   12   28   17 o  121.051   27.160  200.943   80.080   0.0000   0.0000  200.943   80.080  ?   ?   121.051   27.160 0.000000 27.15950 
1 1 1   12   28   18 o  154.076   14.197  303.749   54.009  316.005   66.651  280.313   92.168  156.265   17.375  143.738   26.660 12.52675 31.82144 
1 1 1   12   28   19 o   56.781   13.343   42.453   18.600   37.564   19.296  106.517   69.846   53.469   14.209   89.431   28.080 -35.96164 31.47064 
1 1 1   12   28   20 o  178.514   11.050  403.343   49.015  421.449   55.659  340.798  103.449  182.200   12.305  158.698   27.075 23.50223 29.74045 
1 1 1   12   28   21 o  171.218   17.553  378.818   73.990  378.818   73.990   0.0000   0.0000  171.218   17.553  ?   ?  0.000000 17.55303 
1 1 1   12   28   22 o   98.679   10.608  124.070   25.729  123.582   27.373  127.769   75.386   98.339   11.355   96.934   28.937 1.405266 31.08538 
1 1 1   12   28   23 o   84.036   10.929   90.487   22.392   82.462   23.465  172.268   74.906   79.914   12.140  112.046   27.073 -32.13185 29.67059 
1 1 1   12   28   24 o   94.695   10.525  114.338   24.467  108.211   25.802  168.981   77.050   91.903   11.494  110.757   27.878 -18.85402 30.15488 
1 1 1   12   28   25 o  163.295   13.040  339.746   52.729  269.273   63.717  492.890   93.927  143.841   18.142  194.689   19.585 -50.84760 26.69690 
1 1 1   12   28   26 o  102.366   9.3880  132.911   23.731  124.052   24.986  214.484   75.822   98.707   10.288  125.785   25.020 -27.07718 27.05219 
1 1 1   12   28   27 o  126.733   9.6595  203.352   30.340  224.713   35.586  146.505   58.053  133.038   10.805  104.037   22.960 29.00021 25.37556 
1 1 1   12   28   28 o  283.563   13.039  1019.93   92.332  1078.42  111.525  892.469  164.624  290.289   15.440  258.352   25.865 31.93710 30.12271 
1 1 1   12   28   29 o  153.592   8.2833  297.397   31.653  294.412   42.485  301.121   47.454  152.202   11.258  153.632   12.477 -1.429825 16.80520 
1 1 1   12   29    0 o   62.846   27.441   1.5286   81.395   0.0000   0.0000   1.5286   81.395  ?   ?    62.846   27.441 0.000000 27.44147 
1 1 1   12   29    1 o   32.560   14.485  -7.8500   23.691  -5.3911   24.815 -33.1724   79.634   34.196   15.036   56.536   25.723 -22.34018 29.79530 
1 1 1   12   29    2 o  148.746   15.920  288.463   58.215  344.481   70.852  172.066  102.132  161.859   17.825  108.196   33.953 53.66380 38.34732 
1 1 1   12   29    3 o  105.127   18.423  147.582   46.601  237.694   54.746 -89.4780   88.795  134.723   16.625   52.889   25.075 81.83408 30.08553 
1 1 1   12   29    4 o   84.815   19.901   97.639   41.424   97.639   41.424   0.0000   0.0000   84.815   19.901  ?   ?  0.000000 19.90100 
1 1 1   12   29    5 o   75.051   18.596   75.950   34.675   91.718   38.582   9.7127   79.075   82.408   19.118   64.427   27.582 17.98148 33.56027 
1 1 1   12   29    6 o   78.677   18.252   83.224   35.166   96.414   39.266   29.772   79.044   84.586   19.048   68.747   28.382 15.83877 34.18113 
1 1 1   12   29    7 o  154.768   15.499  309.785   59.096  367.134   73.217  202.587  100.101  167.752   17.748  118.471   32.744 49.28134 37.24454 
1 1 1   12   29    8 o  145.876   15.766  275.656   56.518  345.662   69.662  140.814   96.680  162.936   17.389  100.782   33.167 62.15424 37.44920 
1 1 1   12   29    9 o  102.144   30.313  146.197   82.907   0.0000   0.0000  146.197   82.907  ?   ?   102.144   30.313 0.000000 30.31296 
1 1 1   12   29   10 o  300.370   19.245  1173.11  143.590  1539.48  197.025  758.074  209.702  341.213   23.262  228.322   38.124 112.8905 44.66002 
1 1 1   12   29   11 o  116.095   14.869  174.577   42.115  160.988   49.053  212.678   82.138  110.359   18.451  123.905   27.285 -13.54637 32.93763 
1 1 1   12   29   12 o  125.461   15.441  203.884   47.356  232.382   56.489  136.507   86.859  133.462   17.361   99.512   31.325 33.95029 35.81415 
1 1 1   12   29   14 o   59.053   18.156   45.057   29.374   45.057   29.374   0.0000   0.0000   59.053   18.156  ?   ?  0.000000 18.15622 
1 1 1   12   29   15 o   75.964   16.717   76.656   30.851   75.021   33.846   84.683   75.013   74.919   18.258   82.744   29.176 -7.825058 34.41804 
1 1 1   12   29   16 o  118.796   14.942  182.434   43.345  192.913   50.520  153.201   84.380  121.592   17.112  104.947   30.426 16.64513 34.90814 
1 1 1   12   29   17 o   99.678   14.925  129.160   36.007  123.603   40.627  149.509   77.746   96.804   17.448  103.872   28.911 -7.067268 33.76818 
1 1 1   12   29   18 o   70.287   27.499   44.706   70.052   0.0000   0.0000   44.706   70.052  ?   ?    70.287   27.499 0.000000 27.49853 
1 1 1   12   29   19 o   56.265   15.939   41.495   23.415   27.333   24.787  158.923   71.374   48.463   16.791  107.443   26.715 -58.98014 31.55399 
1 1 1   12   29   20 o  130.631   10.681  216.606   34.538  223.542   37.625  179.460   87.071  132.554   11.480  113.351   30.212 19.20226 32.31978 
1 1 1   12   29   21 o   34.361   12.483   12.314   13.843   9.7346   14.107   79.287   71.888   32.859   12.473   80.691   28.550 -47.83242 31.15597 
1 1 1   12   29   22 o  128.965   16.443  215.799   51.751  215.799   51.751   0.0000   0.0000  128.965   16.443  ?   ?  0.000000 16.44344 
1 1 1   12   29   23 o  143.538   10.331  261.008   36.783  238.840   40.208  374.769   91.083  136.950   11.875  168.318   22.213 -31.36792 25.18731 
1 1 1   12   29   24 o  106.734   9.9838  144.748   26.301  127.073   27.713  305.056   83.460   99.682   11.335  151.336   22.791 -51.65381 25.45424 
1 1 1   12   29   25 o  138.780   9.3928  243.532   32.360  225.588   36.419  310.845   70.538  133.218   11.047  154.284   18.690 -21.06529 21.71037 
1 1 1   12   29   26 o  162.636   9.0429  333.859   36.581  298.934   42.963  425.916   69.753  153.393   11.296  181.992   15.496 -28.59946 19.17574 
1 1 1   12   29   27 o  109.739   8.9739  152.564   24.377  148.503   27.340  168.312   53.839  108.018   10.259  112.408   19.909 -4.389496 22.39644 
1 1 1   12   29   28 o   32.964   11.554   12.206   11.752   5.2406   12.408   72.887   36.624   28.684   11.462   73.620   19.581 -44.93626 22.68894 
1 1 1   12   29   29 o   89.752   9.0304  102.500   19.965  109.588   24.879   89.681   33.459   92.432   10.994   82.039   16.895 10.39307 20.15702 
1 1 1   12   30    0 o  117.281   15.972  182.550   45.562  172.624   51.461  218.551   98.006  112.680   18.962  119.181   32.178 -6.500534 37.34937 
1 1 1   12   30    1 o   78.962   30.880   71.916   88.312   0.0000   0.0000   71.916   88.312  ?   ?    78.962   30.880 0.000000 30.87984 
1 1 1   12   30    2 o  109.693   16.388  159.556   43.514  159.012   49.259  161.487   92.840  108.527   18.861  104.075   32.325 4.452133 37.42456 
1 1 1   12   30    3 o  173.973   16.957  397.238   72.731  531.674   90.925  158.412  121.190  200.687   18.346  103.949   37.038 96.73784 41.33306 
1 1 1   12   30    4 o   97.282   17.729  126.720   41.482  163.764   47.209   1.2211   86.894  110.939   17.631   64.855   28.335 46.08430 33.37221 
1 1 1   12   30    5 o  161.249   16.063  338.811   63.820  406.059   77.866  201.172  111.397  175.767   17.994  115.854   35.310 59.91308 39.63054 
1 1 1   12   30    6 o  142.742   16.419  266.263   57.459  335.813   68.762  105.312  104.603  160.048   17.489   91.250   34.109 68.79796 38.33114 
1 1 1   12   30    7 f  205.244   16.653  547.166   84.614  690.896  109.559  334.710  133.201  229.304   19.313  149.620   36.072 79.68372 40.91662 
1 1 1   12   30    8 o   56.032   18.082   39.947   28.803   48.913   31.022 -16.0948   77.561   61.066   18.638   58.982   26.226 2.083801 32.17446 
1 1 1   12   30    9 o  139.639   15.668  253.220   53.693  305.357   64.871  139.810   95.676  152.886   17.296   99.987   32.999 52.89832 37.25657 
1 1 1   12   30   10 o  141.031   28.850  279.249   98.178   0.0000   0.0000  279.249   98.178  ?   ?   141.031   28.850 0.000000 28.84975 
1 1 1   12   30   11 o  157.745   15.735  322.027   61.157  391.495   75.264  187.025  104.922  173.332   17.634  113.755   34.179 59.57680 38.46001 
1 1 1   12   30   12 o  119.104   30.212  201.426   89.996   0.0000   0.0000  201.426   89.996  ?   ?   119.104   30.212 0.000000 30.21213 
1 1 1   12   30   13 o  124.234   17.533  202.429   52.882  202.429   52.882   0.0000   0.0000  124.234   17.533  ?   ?  0.000000 17.53322 
1 1 1   12   30   14 o  206.616   17.626  553.716   90.071  773.244  116.944  233.568  141.223  243.484   19.394  125.526   39.990 117.9583 44.44478 
1 1 1   12   30   15 o  134.759   14.297  233.875   47.379  213.759   54.840  293.082   94.083  127.743   17.664  146.126   26.769 -18.38344 32.07205 
1 1 1   12   30   16 o  293.822   18.617  1119.36  135.894  1337.19  183.804  856.729  201.825  317.987   23.309  246.845   33.616 71.14182 40.90666 
1 1 1   12   30   17 o   56.538   16.861   41.627   25.604   35.260   27.193   91.396   76.027   53.354   17.591   84.705   29.405 -31.35098 34.26495 
1 1 1   12   30   18 o   62.703   17.051   52.156   27.402   56.601   29.302   21.172   77.360   65.233   17.587   66.721   27.855 -1.488312 32.94218 
1 1 1   12   30   19 o   83.234   29.706   85.212   77.985   0.0000   0.0000   85.212   77.985  ?   ?    83.234   29.706 0.000000 29.70563 
1 1 1   12   30   20 o   91.837   15.606  110.581   34.510  119.907   38.150   68.589   80.954   95.447   16.609   79.219   29.925 16.22785 34.22500 
1 1 1   12   30   21 o  124.441   10.415  196.725   32.068  213.795   34.412   84.070   88.404  129.698   10.721   84.794   31.423 44.90372 33.20185 
1 1 1   12   30   22 o  126.671   10.844  204.099   33.972  222.197   36.674   94.674   90.179  132.123   11.222   87.853   31.869 44.27047 33.78709 
1 1 1   12   30   23 f   78.858   16.585   82.597   31.623   82.597   31.623   0.0000   0.0000   78.858   16.585  ?   ?  0.000000 16.58460 
1 1 1   12   30   24 o  122.591   9.5129  190.491   28.894  166.736   31.897  299.111   68.208  114.273   11.327  151.165   18.452 -36.89240 21.65136 
1 1 1   12   30   25 o  137.652   9.4581  239.910   32.314  229.112   36.578  278.295   68.965  134.171   11.014  145.275   19.503 -11.10358 22.39805 
1 1 1   12   30   26 o  200.296   14.644  515.206   72.738  506.997   91.672  529.158  119.513  196.907   18.875  198.145   24.689 -1.237823 31.07749 
1 1 1   12   30   27 o  117.364   8.8182  174.475   25.655  158.683   28.992  231.487   55.086  111.547   10.533  133.009   16.972 -21.46250 19.97416 
1 1 1   12   30   28 o   92.795   9.4085  109.753   21.501  111.611   24.543  103.621   44.584   93.305   10.729   87.193   20.772 6.112793 23.37920 
1 1 1   12   30   29 o  184.707   9.9607  432.674   45.774  413.373   55.204  475.145   81.887  179.773   12.372  190.668   17.390 -10.89429 21.34177 
1 1 1   12   30   30 o   84.319   21.375   97.872   45.067   0.0000   0.0000   97.872   45.067  ?   ?    84.319   21.375 0.000000 21.37461 
1 1 1   12   31    0 o   70.850   18.942   70.306   34.159   81.354   36.758   0.3545   92.494   76.057   19.317   63.879   28.505 12.17827 34.43372 
1 1 1   12   31    1 o   52.098   18.111   33.725   28.846   41.212   30.568 -27.1763   87.181   56.183   18.657   58.588   26.756 -2.405720 32.61911 
1 1 1   12   31    2 o  185.560   16.926  457.162   77.567  572.270   97.238  255.757  128.623  206.132   19.108  123.701   37.986 82.43129 42.52125 
1 1 1   12   31    3 o   59.384   26.663 -15.8980   82.263   0.0000   0.0000 -15.8980   82.263  ?   ?    59.384   26.663 0.000000 26.66302 
1 1 1   12   31    4 o  107.383   16.585  153.661   43.040  154.539   48.049  150.094   96.818  106.834   18.691  100.097   33.203 6.736908 38.10231 
1 1 1   12   31    5 o  108.715   16.854  157.334   44.273  186.163   50.379   59.550   92.783  118.119   17.619   77.406   31.197 40.71261 35.82795 
1 1 1   12   31    6 o   40.346   16.101   11.681   24.452   21.401   25.694 -81.6483   79.617   45.437   16.920   49.767   23.638 -4.329723 29.06950 
1 1 1   12   31    7 o  215.508   19.984  617.513  106.325  617.513  106.325   0.0000   0.0000  215.508   19.984  ?   ?  0.000000 19.98438 
1 1 1   12   31    8 o   53.128   17.762   35.167   27.694   37.209   29.452   19.572   81.371   54.622   18.317   66.632   28.235 -12.01009 33.65615 
1 1 1   12   31    9 o   89.636   17.624  107.691   38.044  134.922   42.528  -1.3828   85.116  100.616   17.565   64.002   28.001 36.61398 33.05431 
1 1 1   12   31   10 o  280.323   19.785  1034.81  137.611  1444.75  186.825  548.628  203.459  328.613   22.910  184.478   44.647 144.1354 50.18163 
1 1 1   12   31   11 o   82.449   30.439   82.967   82.799   0.0000   0.0000   82.967   82.799  ?   ?    82.449   30.439 0.000000 30.43928 
1 1 1   12   31   12 o   85.640   17.787   98.295   36.795  118.858   40.133 -10.1177   92.150   94.414   17.672   65.183   28.803 29.23123 33.79237 
1 1 1   12   31   13 o   92.074   16.574  112.312   36.708  121.823   40.884   72.761   83.369   95.618   17.777   80.084   30.340 15.53372 35.16400 
1 1 1   12   31   14 o  152.135   16.858  301.779   62.969  432.553   77.807   53.550  107.198  182.247   17.304   81.167   33.228 101.0798 37.46332 
1 1 1   12   31   15 o  254.873   19.849  851.985  125.338  1335.67  170.342  280.954  185.084  318.098   21.572  133.708   45.910 184.3902 50.72503 
1 1 1   12   31   16 o  182.249   17.687  432.893   79.480  604.530   98.913  120.146  133.520  215.178   18.591   99.284   38.207 115.8938 42.49010 
1 1 1   12   31   17 o  141.221   15.881  258.933   55.033  317.997   65.372  115.233  101.967  156.247   17.030   94.197   33.930 62.05032 37.96436 
1 1 1   12   31   18 o  129.531   14.835  217.169   47.120  222.240   54.010  201.011   96.410  130.354   16.996  118.239   31.911 12.11520 36.15516 
1 1 1   12   31   19 o   64.895   16.614   56.212   27.039   57.362   28.647   46.821   81.865   65.528   17.265   73.576   29.427 -8.047470 34.11733 
1 1 1   12   31   20 o   81.948   30.339   79.463   82.371   0.0000   0.0000   79.463   82.371  ?   ?    81.948   30.339 0.000000 30.33933 
1 1 1   12   31   21 o   94.649   15.096  117.304   34.481  111.292   37.614  148.956   86.306   91.585   17.075  102.681   31.032 -11.09677 35.41956 
1 1 1   12   31   22 o  168.958   11.255  363.059   47.213  385.456   52.286  264.135  109.885  173.865   12.118  135.036   32.891 38.82919 35.05273 
1 1 1   12   31   23 o   96.750   10.430  119.655   24.800  111.300   26.558  176.562   69.313   92.989   11.696  112.900   25.221 -19.91109 27.80110 
1 1 1   12   31   24 o  252.119   15.857  820.153   99.323  796.370  125.443  860.117  162.610  245.705   20.636  251.361   26.295 -5.655762 33.42565 
1 1 1   12   31   25 o  156.543   9.6168  310.566   37.412  293.744   43.325  359.886   74.182  151.737   11.520  165.554   18.247 -13.81685 21.57898 
1 1 1   12   31   26 o  206.961   9.5706  541.085   49.463  500.782   61.414  615.496   83.449  197.932   12.489  218.235   15.412 -20.30360 19.83681 
1 1 1   12   31   27 o  116.423   14.922  176.863   42.385  171.634   47.931  195.613   90.769  113.799   17.421  115.839   30.834 -2.040382 35.41484 
1 1 1   12   31   28 o   87.905   9.7343   98.923   21.009  103.502   23.679   81.980   45.547   89.696   10.788   77.284   22.339 12.41222 24.80765 
1 1 1   12   31   29 o   88.757   11.405  101.827   24.694   92.639   33.621  112.589   36.389   83.041   16.790   91.866   16.467 -8.825020 23.51759 
1 1 1   12   31   30 o   66.218   9.6317   56.668   15.460   62.848   19.291   45.572   25.849   69.340   11.547   58.363   16.817 10.97630 20.39955 
1 1 1   12   32    0 o   39.848   16.178   11.410   25.150   17.665   26.059 -73.5641   96.051   42.968   16.782   53.875   25.694 -10.90727 30.68939 
1 1 1   12   32    1 o   61.023   18.752   51.781   31.339   58.001   33.297   3.5086   92.761   64.213   19.246   63.368   28.392 0.8449020 34.30028 
1 1 1   12   32    2 o   40.517   16.367   11.789   25.602   9.2849   26.762   38.822   87.925   40.162   16.540   68.982   29.297 -28.81947 33.64349 
1 1 1   12   32    3 o  112.074   17.289  170.675   46.832  205.337   53.013   47.494   99.936  122.833   17.802   73.788   31.280 49.04504 35.99092 
1 1 1   12   32    4 o  147.898   32.423  341.977  116.447   0.0000   0.0000  341.977  116.447  ?   ?   147.898   32.423 0.000000 32.42329 
1 1 1   12   32    5 o   87.156   18.264  104.335   38.479  118.802   42.311   35.153   92.528   92.885   18.885   70.972   30.093 21.91245 35.52799 
1 1 1   12   32    6 o  218.003   18.833  636.268  101.521  919.397  132.365  231.760  158.214  260.731   20.495  116.472   42.218 144.2595 46.92996 
1 1 1   12   32    7 o   94.571   17.257  120.598   39.252  123.741   43.326  106.204   92.714   95.189   18.894   87.833   32.245 7.356323 37.37233 
1 1 1   12   32    8 o  178.428   18.845  424.765   82.695  424.765   82.695   0.0000   0.0000  178.428   18.845  ?   ?  0.000000 18.84456 
1 1 1   12   32    9 o  228.401   18.142  689.006  102.621  920.699  134.366  364.681  158.973  262.116   20.696  148.731   41.322 113.3851 46.21519 
1 1 1   12   32   10 o   93.537   32.566  123.585   93.289   0.0000   0.0000  123.585   93.289  ?   ?    93.537   32.566 0.000000 32.56634 
1 1 1   12   32   11 o   60.725   18.195   49.048   29.763   64.342   31.639 -68.5916   87.747   68.888   18.141   54.596   25.586 14.29261 31.36432 
1 1 1   12   32   12 f   47.623   17.080   25.646   25.811   34.346   27.223 -51.7437   81.192   52.543   17.611   54.378   25.189 -1.835163 30.73440 
1 1 1   12   32   13 o   91.188   16.788  110.901   36.820  116.338   40.500   84.995   88.410   93.024   18.086   83.386   31.321 9.638542 36.16721 
1 1 1   12   32   14 f   42.951   15.711   19.673   21.984   16.031   22.899   62.526   78.543   41.559   15.863   75.835   29.270 -34.27543 33.29235 
1 1 1   12   32   15 o   65.655   17.123   57.953   28.366   61.299   30.234   33.356   81.966   67.448   17.721   69.859   28.876 -2.411148 33.87999 
1 1 1   12   32   16 o   90.926   16.602  109.942   36.308  127.926   39.997   25.712   86.558   98.148   16.931   69.664   29.298 28.48367 33.83818 
1 1 1   12   32   17 o   96.175   17.275  123.184   39.965  123.184   39.965   0.0000   0.0000   96.175   17.275  ?   ?  0.000000 17.27529 
1 1 1   12   32   18 f  214.564   18.068  602.676   95.908  828.094  124.290  270.900  150.787  250.446   20.041  131.282   41.264 119.1637 45.87378 
1 1 1   12   32   19 o  109.999   17.329  160.237   46.025  220.897   52.466 -42.3261   95.875  129.800   16.564   61.387   28.044 68.41377 32.57032 
1 1 1   12   32   20 f   25.380   11.263  -4.8094   14.238  -3.9366   14.457 -32.8871   81.998   25.963   11.444   57.711   26.198 -31.74757 28.58808 
1 1 1   12   32   21 o   86.380   31.176   96.412   86.138   0.0000   0.0000   96.412   86.138  ?   ?    86.380   31.176 0.000000 31.17572 
1 1 1   12   32   22 o  116.603   14.357  176.792   40.922  199.547   48.819  123.016   75.048  123.327   16.247   93.419   29.070 29.90866 33.30261 
1 1 1   12   32   23 o  204.658   10.857  532.785   55.289  564.872   67.590  467.892   96.121  209.938   12.956  187.126   20.928 22.81209 24.61405 
1 1 1   12   32   24 o   54.255   12.630   39.033   16.791   38.534   17.398   45.811   64.145   53.863   13.068   67.645   26.355 -13.78225 29.41744 
1 1 1   12   32   25 o  197.197   10.881  495.314   53.377  560.120   66.573  378.665   89.316  208.954   12.820  167.292   21.906 41.66110 25.38186 
1 1 1   12   32   26 o  139.460   9.8722  247.598   34.158  264.962   39.759  198.663   66.746  143.917   11.150  119.739   23.160 24.17882 25.70432 
1 1 1   12   32   27 o   55.115   12.028   40.237   16.090   46.230   17.066  -7.6978   48.263   59.173   11.961   47.406   20.902 11.76703 24.08204 
1 1 1   12   32   28 o   68.769   11.250   61.755   18.651   75.262   20.716   3.9430   42.857   76.076   11.243   47.572   20.335 28.50390 23.23588 
1 1 1   12   32   29 o   92.969   9.8063  110.893   22.423  127.811   26.976   73.076   40.333   99.543   11.038   72.714   21.023 26.82902 23.74426 
1 1 1   12   32   30 o  102.416   9.4030  134.186   23.780  119.704   28.502  167.355   43.134   95.894   12.177  112.235   15.830 -16.34103 19.97147 
1 1 1   12   33    0 o  125.639   18.574  226.156   56.519  313.347   65.202 -37.3684  113.354  148.774   17.910   60.033   28.424 88.74097 33.59571 
1 1 1   12   33    1 o   40.132   16.106   13.400   24.616   13.400   24.616   0.0000   0.0000   40.132   16.106  ?   ?  0.000000 16.10589 
1 1 1   12   33    2 o   42.187   16.198   18.319   23.961   13.823   24.854   77.537   90.205   40.589   16.221   74.963   30.560 -34.37357 34.59834 
1 1 1   12   33    3 o   78.867   18.393   88.319   35.558  104.612   38.439  -8.3065   93.611   85.962   18.458   61.242   27.874 24.71947 33.43148 
1 1 1   12   33    4 o   92.163   18.258  118.821   40.535  149.358   44.699 -22.5218   96.167  103.807   17.889   60.532   27.813 43.27532 33.06987 
1 1 1   12   33    5 o   59.537   26.894 -10.6302   85.163   0.0000   0.0000 -10.6302   85.163  ?   ?    59.537   26.894 0.000000 26.89383 
1 1 1   12   33    6 o   25.520   11.864 -15.2150   18.262 -15.6097   18.689  -6.8653   85.957   25.795   11.995   60.761   27.270 -34.96573 29.79158 
1 1 1   12   33    7 o  119.246   17.320  192.434   50.067  253.826   57.682   4.8612  100.825  137.279   17.204   67.126   29.872 70.15339 34.47168 
1 1 1   12   33    8 o  122.485   15.867  199.895   47.392  205.262   53.708  181.022  100.723  123.076   18.008  106.371   33.760 16.70482 38.26277 
1 1 1   12   33   10 o  109.139   16.545  159.336   43.678  181.352   48.917   72.756   97.008  116.182   17.396   79.918   32.008 36.26414 36.42962 
1 1 1   12   33   11 o   39.890   15.578   13.545   22.450   10.831   23.236   51.629   87.048   39.107   15.664   73.655   30.023 -34.54840 33.86388 
1 1 1   12   33   12 o   69.677   17.585   66.254   30.600   67.464   32.567   57.143   89.388   70.185   18.368   75.613   30.569 -5.427803 35.66309 
1 1 1   12   33   13 o  183.070   17.259  442.749   77.968  597.064   98.105  178.168  128.460  211.801   18.742  107.191   38.139 104.6101 42.49577 
1 1 1   12   33   14 o   81.187   31.054   80.581   87.866   0.0000   0.0000   80.581   87.866  ?   ?    81.187   31.054 0.000000 31.05375 
1 1 1   12   33   15 o   98.852   17.136  130.893   40.768  168.576   45.560 -20.5097   91.322  112.644   16.703   62.200   27.996 50.44377 32.59957 
1 1 1   12   33   16 o   39.102   14.794   14.735   19.804   12.588   20.418   48.815   81.357   38.349   14.890   72.425   29.204 -34.07610 32.78108 
1 1 1   12   33   17 o  150.917   15.799  298.283   58.658  341.673   70.060  196.559  107.273  160.674   17.758  113.363   34.670 47.31033 38.95374 
1 1 1   12   33   18 o   51.509   16.458   34.093   23.906   34.093   23.906   0.0000   0.0000   51.509   16.458  ?   ?  0.000000 16.45797 
1 1 1   12   33   19 o   96.049   14.507  121.330   33.711  111.119   37.533  163.956   76.683   90.962   17.153  106.175   28.378 -15.21368 33.15872 
1 1 1   12   33   20 o   55.515   15.911   41.029   23.194   35.818   24.448   87.952   73.363   52.602   16.626   81.367   28.836 -28.76458 33.28576 
1 1 1   12   33   21 o   80.713   14.950   86.625   29.023   79.169   31.571  127.307   73.742   76.524   16.966   93.912   28.750 -17.38863 33.38263 
1 1 1   12   33   22 o   59.004   26.591 -22.0700   82.697   0.0000   0.0000 -22.0700   82.697  ?   ?    59.004   26.591 0.000000 26.59107 
1 1 1   12   33   23 o  131.012   13.566  222.900   43.740  228.848   53.390  210.758   76.280  131.538   16.625  121.576   25.917 9.961395 30.79107 
1 1 1   12   33   24 o   47.529   12.370   29.994   14.823   19.875   15.237  208.914   64.071   40.050   13.166  123.183   21.617 -83.13342 25.31086 
1 1 1   12   33   25 o  122.557   13.843  195.970   41.623  227.827   52.356  141.257   68.613  131.208   16.333   98.499   27.062 32.70958 31.60892 
1 1 1   12   33   26 o   35.825   12.157   15.370   12.975   17.601   13.385 -19.3865   52.834   37.676   12.338   46.904   21.185 -9.228294 24.51636 
1 1 1   12   33   27 o  108.858   10.146  152.044   27.263  158.802   30.988  128.896   57.350  110.907   11.349   94.795   24.157 16.11139 26.68975 
1 1 1   12   33   28 o   76.011   16.246   78.437   29.902   68.319   31.697  160.251   90.132   70.453   17.962  101.932   31.881 -31.47923 36.59273 
1 1 1   12   33   29 o   79.861   10.374   82.666   20.201   86.900   23.752   71.599   38.402   81.416   12.046   71.600   20.458 9.816132 23.74108 
1 1 1   12   33   30 o  124.214   9.2195  197.230   28.394  199.498   35.918  193.452   46.361  124.052   11.734  120.383   15.804 3.668633 19.68361 
1 1 1   12   33   31 o  118.902   11.096  182.941   32.564  220.300   49.131  153.667   43.490  128.491   15.634  106.437   16.929 22.05411 23.04401 
1 1 1   12   34    0 o   38.850   15.703   13.225   23.583   13.739   24.330   5.2373   95.877   39.425   15.945   58.817   27.290 -19.39239 31.60661 
1 1 1   12   34    1 o   80.589   19.025   97.245   37.673  122.131   40.665 -53.4211  100.059   90.980   18.528   54.014   25.886 36.96593 31.83350 
1 1 1   12   34    2 o   87.260   19.064  112.386   40.380  112.386   40.380   0.0000   0.0000   87.260   19.064  ?   ?  0.000000 19.06426 
1 1 1   12   34    3 o  101.524   17.322  146.042   42.341  157.448   46.574   91.712  101.646  104.656   18.497   76.535   31.938 28.12162 36.90793 
1 1 1   12   34    4 o   66.708   18.277   64.235   31.346   70.527   33.254   14.073   93.892   69.700   18.712   63.151   28.409 6.548336 34.01774 
1 1 1   12   34    5 o   58.229   18.245   47.503   29.504   62.112   31.145 -80.2554   92.105   65.880   18.285   51.519   24.728 14.36053 30.75463 
1 1 1   12   34    6 o   46.902   17.354   25.561   26.944   39.184   28.339 -102.6070   86.926   53.991   17.966   48.019   23.287 5.971096 29.41218 
1 1 1   12   34    7 o   64.084   18.651   57.915   31.652   75.958   33.819 -69.4858   89.868   73.167   18.499   52.690   25.052 20.47684 31.14153 
1 1 1   12   34    8 o   57.978   26.438 -18.1258   84.715   0.0000   0.0000 -18.1258   84.715  ?   ?    57.978   26.438 0.000000 26.43798 
1 1 1   12   34    9 o  105.205   18.515  153.399   46.867  224.056   52.770 -110.4704  101.977  128.584   16.839   53.015   25.592 75.56934 30.63463 
1 1 1   12   34   10 o   56.489   17.546   43.131   27.353   49.018   28.558 -22.2170   95.148   59.778   17.803   61.132   27.931 -1.354122 33.12234 
1 1 1   12   34   11 o   36.490   14.802   8.4911   21.036   18.733   21.683 -155.4033   86.739   41.847   15.551   44.391   21.884 -2.544777 26.84727 
1 1 1   12   34   12 o  102.105   17.527  142.041   43.079  187.181   48.112 -40.5122   96.753  117.870   16.823   59.665   27.588 58.20541 32.31254 
1 1 1   12   34   13 o   84.287   17.118   97.086   34.800  104.383   37.633   54.013   91.430   87.165   17.889   74.043   30.542 13.12177 35.39535 
1 1 1   12   34   14 f   55.744   25.669 -37.0579   82.520   0.0000   0.0000 -37.0579   82.520  ?   ?    55.744   25.669 0.000000 25.66940 
1 1 1   12   34   15 o   54.336   25.220 -46.4595   81.993   0.0000   0.0000 -46.4595   81.993  ?   ?    54.336   25.220 0.000000 25.21984 
1 1 1   12   34   16 o   71.969   16.552   70.622   29.127   71.367   31.554   66.330   75.731   72.065   17.669   74.359   28.730 -2.293427 33.72853 
1 1 1   12   34   17 o  201.838   16.736  539.313   83.593  810.274  119.031  275.623  117.423  245.154   19.607  131.131   35.145 114.0226 40.24424 
1 1 1   12   34   18 o  229.158   16.330  692.198   92.835  943.180  135.959  472.967  127.068  263.444   20.837  179.032   29.446 84.41199 36.07259 
1 1 1   12   34   19 o  107.668   15.862  154.431   41.370  151.095   43.273  189.889  141.089  106.041   16.909  107.893   39.752 -1.852524 43.19870 
1 1 1   12   34   20 f  104.688   15.405  145.652   39.069  171.084   45.028   68.187   78.586  113.181   16.410   75.510   29.241 37.67091 33.53084 
1 1 1   12   34   21 o   77.244   16.460   81.025   30.779   97.107   33.759   1.8007   74.929   84.703   16.554   59.724   26.197 24.97932 30.98859 
1 1 1   12   34   22 o  107.053   14.311  151.096   37.300  153.249   42.977  144.527   75.087  106.871   16.646   98.225   28.767 8.645615 33.23579 
1 1 1   12   34   23 o   51.134   23.301 -26.0961   65.661   0.0000   0.0000 -26.0961   65.661  ?   ?    51.134   23.301 0.000000 23.30087 
1 1 1   12   34   24 o  103.195   10.749  137.447   27.293  158.156   29.926   35.057   66.541  110.697   10.970   64.043   26.194 46.65363 28.39825 
1 1 1   12   34   25 o  107.957   10.872  150.499   28.910  176.201   32.126   41.071   66.288  116.795   11.150   65.370   26.361 51.42500 28.62195 
1 1 1   12   34   26 o  102.784   13.763  139.398   34.440  124.825   38.762  194.030   75.051   95.948   16.789  114.279   26.769 -18.33093 31.59818 
1 1 1   12   34   27 o   91.046   10.559  107.386   23.560  117.613   26.215   64.422   53.731   95.109   11.256   69.425   24.670 25.68363 27.11662 
1 1 1   12   34   28 o   72.076   11.454   68.330   19.927   76.062   22.325   38.039   44.190   75.892   12.193   57.990   22.060 17.90281 25.20546 
1 1 1   12   34   29 o   84.331   16.260   97.128   33.001   93.663   35.146  122.948   95.946   82.211   17.647   89.218   32.795 -7.006752 37.24127 
1 1 1   12   34   30 o   32.248   12.063   10.479   13.090   17.503   14.830 -14.2884   27.848   37.959   12.997   33.336   15.184 4.623409 19.98700 
1 1 1   12   34   31 o   44.643   17.998   15.643   30.891   0.0000   0.0000   15.643   30.891  ?   ?    44.643   17.998 0.000000 17.99785 
1 1 1   12   35    0 o   51.057   24.725 -48.3318   97.111   0.0000   0.0000 -48.3318   97.111  ?   ?    51.057   24.725 0.000000 24.72499 
1 1 1   12   35    1 o   78.115   18.397   93.332   35.295   94.723   37.586   82.957  102.659   77.906   19.395   68.537   30.338 9.368530 36.00773 
1 1 1   12   35    2 o   52.986   17.906   40.764   28.146   45.689   29.388 -13.8280   97.837   55.525   18.287   56.230   26.557 -0.7050552 32.24430 
1 1 1   12   35    3 f   80.302   19.010   97.485   37.529   97.485   37.529   0.0000   0.0000   80.302   19.010  ?   ?  0.000000 19.00977 
1 1 1   12   35    4 o   69.273   18.164   71.245   31.808   75.573   33.578   33.427   99.254   71.086   18.674   64.251   29.027 6.834251 34.51542 
1 1 1   12   35    5 o   23.346   10.961 -15.1446   16.232 -16.3876   16.485   24.366   92.944   23.237   10.952   62.753   28.244 -39.51615 30.29326 
1 1 1   12   35    6 o  111.622   16.970  175.535   45.813  194.230   50.845   94.866  105.618  116.688   18.030   77.005   32.373 39.68295 37.05560 
1 1 1   12   35    7 o   78.637   32.257   98.944  101.280   0.0000   0.0000   98.944  101.280  ?   ?    78.637   32.257 0.000000 32.25682 
1 1 1   12   35    8 o   45.835   22.492 -126.5243   88.231   0.0000   0.0000 -126.5243   88.231  ?   ?    45.835   22.492 0.000000 22.49176 
1 1 1   12   35    9 o   47.006   22.916 -112.0213   87.239   0.0000   0.0000 -112.0213   87.239  ?   ?    47.006   22.916 0.000000 22.91551 
1 1 1   12   35   10 o   47.170   22.969 -111.5539   86.921   0.0000   0.0000 -111.5539   86.921  ?   ?    47.170   22.969 0.000000 22.96869 
1 1 1   12   35   11 o   78.518   17.845   86.885   34.196  103.459   36.861 -15.4529   91.593   85.889   17.772   59.822   27.361 26.06707 32.62580 
1 1 1   12   35   12 o   73.755   17.696   76.440   32.176   70.192   32.613  304.954  197.235   70.447   18.354  115.876   45.889 -45.42893 49.42395 
1 1 1   12   35   13 o  146.777   15.590  289.029   56.269  357.084   70.000  164.757   94.593  161.806   17.608   99.276   32.814 62.53011 37.23959 
1 1 1   12   35   14 o  113.183   16.239  173.548   44.582  212.441   51.694   60.648   88.073  124.957   17.008   73.219   30.063 51.73801 34.54035 
1 1 1   12   35   15 o   87.417   15.969  104.113   33.576  105.773   36.897   96.114   80.981   87.445   17.507   81.166   30.076 6.279488 34.80028 
1 1 1   12   35   16 o   56.019   25.967 -39.0987   86.515   0.0000   0.0000 -39.0987   86.515  ?   ?    56.019   25.967 0.000000 25.96738 
1 1 1   12   35   17 o   69.384   17.225   66.773   29.707   81.457   32.075 -21.8284   78.786   76.746   17.166   56.014   25.524 20.73182 30.75992 
1 1 1   12   35   18 o  153.758   16.525  317.280   62.453  471.458   82.107  105.621   96.203  186.694   17.828   85.167   32.513 101.5270 37.08048 
1 1 1   12   35   19 o   84.947   16.134   98.277   32.973  108.309   36.458   53.206   77.275   88.888   17.045   70.196   28.407 18.69218 33.12867 
1 1 1   12   35   20 o   43.978   15.362   23.371   20.767   22.945   21.057   38.531  125.540   43.838   15.458   76.886   33.812 -33.04790 37.17825 
1 1 1   12   35   21 o  116.633   14.982  181.301   42.627  211.887   50.742  107.952   78.580  125.349   16.620   84.914   29.870 40.43501 34.18307 
1 1 1   12   35   22 o   54.531   15.747   40.347   22.641   41.006   23.934   34.736   69.840   54.996   16.279   64.058   26.581 -9.061878 31.16969 
1 1 1   12   35   23 o  106.549   14.544  151.294   37.686  161.286   44.028  123.911   72.884  109.024   16.704   89.796   28.742 19.22895 33.24302 
1 1 1   12   35   24 o  125.140   24.848  230.254   74.912   0.0000   0.0000  230.254   74.912  ?   ?   125.140   24.848 0.000000 24.84846 
1 1 1   12   35   25 o  182.068   10.787  427.423   48.825  480.304   59.663  320.210   84.953  192.007   12.512  148.891   23.639 43.11652 26.74567 
1 1 1   12   35   26 o   45.263   12.955   27.393   15.386   25.283   15.995   53.537   56.298   43.791   13.387   65.521   24.906 -21.72983 28.27542 
1 1 1   12   35   27 o   59.286   16.221   48.532   24.712   58.173   27.385   6.2542   57.348   64.670   16.804   53.100   23.113 11.57053 28.57643 
1 1 1   12   35   28 o   44.350   13.025   26.241   15.375   22.777   16.514   48.782   42.126   42.091   13.701   60.943   21.824 -18.85184 25.76807 
1 1 1   12   35   29 o  113.392   9.9038  166.135   27.762  175.349   33.633  146.434   49.181  115.718   11.804  101.317   20.148 14.40028 23.35117 
1 1 1   12   35   30 o   70.892   11.588   66.679   19.806   69.175   23.548   60.644   36.615   71.475   13.692   65.309   20.303 6.166321 24.48780 
1 1 1   12   35   31 o   70.549   20.394   72.027   37.958   0.0000   0.0000   72.027   37.958  ?   ?    70.549   20.394 0.000000 20.39379 
1 1 1   12   36    0 o   57.372   18.600   53.101   30.449   61.865   31.886 -37.5673  102.563   61.515   18.917   50.922   24.830 10.59265 31.21505 
1 1 1   12   36    1 o   53.016   25.624 -23.8314  103.041   0.0000   0.0000 -23.8314  103.041  ?   ?    53.016   25.624 0.000000 25.62408 
1 1 1   12   36    2 o   84.512   18.760  111.660   38.559  126.229   41.168   7.5315  110.059   89.848   18.945   57.775   27.540 32.07334 33.42705 
1 1 1   12   36    3 o   76.379   18.165   89.736   34.142   87.618   36.055  108.117  106.229   74.576   19.235   71.325   31.241 3.250389 36.68764 
1 1 1   12   36    4 o   40.551   15.831   18.160   23.182   25.030   23.990 -78.6509   90.062   44.131   16.366   47.474   23.174 -3.343155 28.37090 
1 1 1   12   36    5 o   56.993   18.128   48.547   29.031   46.359   29.258  187.361  233.061   55.851   18.239   79.463   38.438 -23.61198 42.54595 
1 1 1   12   36    6 o   50.729   17.424   36.155   26.660   25.084   27.934  149.240   89.276   45.707   17.503   85.502   31.599 -39.79496 36.12296 
1 1 1   12   36    7 o   49.527   17.113   33.665   25.736   38.115   26.900 -14.4437   88.452   51.998   17.505   55.438   25.885 -3.439465 31.24890 
1 1 1   12   36    8 o   92.670   19.131  127.213   42.804  177.974   46.991 -120.1730  103.738  111.394   17.467   49.498   24.309 61.89675 29.93376 
1 1 1   12   36    9 o   46.531   22.744 -105.0368   87.590   0.0000   0.0000 -105.0368   87.590  ?   ?    46.531   22.744 0.000000 22.74431 
1 1 1   12   36   10 o   66.295   17.962   63.935   30.476   73.106   32.593   0.1626   85.948   70.730   18.310   58.369   26.621 12.36124 32.31039 
1 1 1   12   36   11 o  163.861   16.719  372.559   67.454  488.714   85.725  183.716  109.305  185.514   18.763   96.647   35.082 88.86649 39.78443 
1 1 1   12   36   12 o  144.993   16.881  291.579   59.978  401.748   74.919   94.942  100.091  169.299   17.997   78.200   32.071 91.09959 36.77541 
1 1 1   12   36   13 o   97.162   17.090  132.241   39.953  124.332   40.976  284.772  179.940   93.484   18.207  108.129   43.492 -14.64455 47.14907 
1 1 1   12   36   14 o  180.689   16.762  447.879   74.770  626.003  100.248  224.564  112.247  210.900   19.247  109.004   35.731 101.8959 40.58518 
1 1 1   12   36   15 o   85.021   16.190  100.263   33.118   98.327   36.138  110.418   82.754   83.310   17.904   82.702   30.448 0.6083374 35.32177 
1 1 1   12   36   16 o   91.052   16.458  114.782   36.043  128.928   39.945   52.800   83.615   96.176   17.267   69.214   28.932 26.96159 33.69306 
1 1 1   12   36   17 o   74.625   31.134   68.783   96.557   0.0000   0.0000   68.783   96.557  ?   ?    74.625   31.134 0.000000 31.13374 
1 1 1   12   36   18 o   34.953   14.022   9.0276   18.652   11.842   19.246 -34.4765   75.664   36.719   14.400   52.070   24.188 -15.35057 28.15015 
1 1 1   12   36   19 o   43.277   15.274   22.778   20.561   23.367   21.397   15.687   74.287   43.901   15.572   59.998   26.206 -16.09640 30.48350 
1 1 1   12   36   20 o   91.665   15.582  114.805   34.391  123.615   38.448   79.545   76.918   94.509   16.912   75.028   28.964 19.48078 33.53985 
1 1 1   12   36   21 o   48.455   15.766   31.015   21.869   30.630   22.315   40.368  110.003   48.318   15.936   72.130   31.687 -23.81255 35.46892 
1 1 1   12   36   22 o   24.850   11.053  -4.3382   13.786  -2.8847   14.064 -40.0174   69.684   25.739   11.318   49.192   22.971 -23.45308 25.60828 
1 1 1   12   36   23 o   32.134   13.131   6.0251   16.701   7.7440   17.240 -20.1967   67.336   33.380   13.449   51.320   23.467 -17.94036 27.04811 
1 1 1   12   36   24 o   51.277   16.256   35.468   23.359   48.781   25.068 -52.2678   64.354   59.174   16.398   45.324   21.447 13.85042 26.99740 
1 1 1   12   36   25 o   93.288   15.641  119.148   35.147  146.579   41.698   51.826   65.322  103.035   16.784   65.809   26.298 37.22652 31.19736 
1 1 1   12   36   26 o   52.570   13.098   37.685   17.131   35.641   17.975   57.930   56.569   51.063   13.778   65.964   24.991 -14.90022 28.53779 
1 1 1   12   36   27 o   85.246   11.348   95.831   23.556  106.453   26.106   49.273   54.655   89.665   11.957   62.842   24.371 26.82222 27.14654 
1 1 1   12   36   28 o   96.094   14.422  125.070   33.539  114.262   41.190  146.332   57.774   89.301   19.052   98.086   23.824 -8.784607 30.50477 
1 1 1   12   36   29 o   66.111   12.198   58.768   19.397   59.703   22.059   55.584   40.731   66.053   13.817   62.808   21.538 3.244492 25.58941 
1 1 1   12   36   30 o   35.731   16.021  -8.3501   29.590   0.0000   0.0000  -8.3501   29.590  ?   ?    35.731   16.021 0.000000 16.02054 
1 1 1   12   37    0 o   38.120   15.898   14.397   25.164   22.356   25.929 -114.5090  104.355   41.560   16.582   43.819   21.981 -2.259380 27.53377 
1 1 1   12   37    1 o  128.726   19.670  272.997   61.224  354.961   71.148   39.112  120.186  146.279   20.001   57.139   27.631 89.13922 34.11037 
1 1 1   12   37    2 o   66.346   30.507  115.729  115.987   0.0000   0.0000  115.729  115.987  ?   ?    66.346   30.507 0.000000 30.50737 
1 1 1   12   37    3 f   37.214   15.353   12.292   23.108   10.379   23.775   44.946   98.220   36.754   15.401   58.859   27.414 -22.10434 31.44352 
1 1 1   12   37    4 o  111.651   18.910  194.782   50.841  251.440   57.572  -5.9075  108.354  127.350   18.657   55.479   26.679 71.87084 32.55547 
1 1 1   12   37    5 o   58.696   27.230   31.032   95.412   0.0000   0.0000   31.032   95.412  ?   ?    58.696   27.230 0.000000 27.23001 
1 1 1   12   37    6 o   66.354   18.871   69.234   32.755   68.135   33.090  122.698  230.768   65.705   19.055   71.755   35.435 -6.049980 40.23311 
1 1 1   12   37    7 o  100.433   18.030  151.440   43.557  169.160   47.337   53.599  111.233  105.684   18.617   64.751   29.812 40.93224 35.14701 
1 1 1   12   37    8 f   32.787   13.961   3.9295   20.060   9.0265   20.605 -88.5238   87.757   35.269   14.518   46.309   22.663 -11.04007 26.91459 
1 1 1   12   37    9 o   78.590   18.113   92.665   34.818  109.478   37.758  -2.8853   90.012   85.532   18.235   56.250   26.214 29.28214 31.93207 
1 1 1   12   37   10 o   58.827   27.353   2.4657   97.139   0.0000   0.0000   2.4657   97.139  ?   ?    58.827   27.353 0.000000 27.35346 
1 1 1   12   37   11 o   75.610   17.228   83.663   31.803   84.101   34.116   80.758   87.858   75.110   18.347   70.742   29.622 4.368500 34.84309 
1 1 1   12   37   12 o  105.281   16.221  156.812   41.275  167.602   46.386  115.784   90.451  107.598   17.892   79.071   31.151 28.52679 35.92409 
1 1 1   12   37   13 o   95.198   16.500  128.651   37.804  136.276   41.802   94.405   88.588   97.039   17.910   74.901   30.379 22.13799 35.26551 
1 1 1   12   37   14 o  146.994   17.034  304.461   61.368  304.324   65.374  305.476  178.031  145.650   18.384  104.557   42.814 41.09296 46.59364 
1 1 1   12   37   15 o  104.306   17.850  155.717   44.822  215.388   51.459 -31.8928   91.245  123.552   17.140   55.261   25.959 68.29103 31.10736 
1 1 1   12   37   16 o   86.202   16.774  105.385   34.809  115.601   38.209   55.522   84.417   89.826   17.663   67.655   28.719 22.17104 33.71572 
1 1 1   12   37   17 o  158.864   16.828  351.388   65.744  496.559   85.689  143.642  102.507  187.003   18.596   87.628   33.536 99.37547 38.34668 
1 1 1   12   37   18 o   42.954   21.395 -174.6465   91.316   0.0000   0.0000 -174.6465   91.316  ?   ?    42.954   21.395 0.000000 21.39525 
1 1 1   12   37   19 o   87.311   17.028  107.849   35.792  137.031   40.131  -5.6461   79.142   98.775   16.876   56.252   25.613 42.52348 30.67277 
1 1 1   12   37   20 o   67.328   16.706   64.494   27.953   73.881   30.175   7.7138   74.216   71.974   17.051   57.182   25.524 14.79255 30.69542 
1 1 1   12   37   21 o   59.843   16.730   50.797   25.975   56.155   27.751   12.926   73.780   62.712   17.203   58.053   25.707 4.658752 30.93206 
1 1 1   12   37   22 o   86.752   15.709  104.568   32.779   89.369   34.520  243.987  104.548   78.902   17.927  114.592   34.048 -35.68990 38.47903 
1 1 1   12   37   23 o   37.391   14.335   14.071   18.751   14.818   19.487   4.7420   68.892   38.166   14.618   55.209   24.621 -17.04347 28.63393 
1 1 1   12   37   24 o  104.178   14.121  147.165   35.790  132.482   41.228  192.069   72.098   96.643   17.737  109.200   26.669 -12.55699 32.02903 
1 1 1   12   37   25 o   83.932   15.617   97.952   31.528   98.536   35.840   95.956   66.297   82.982   17.827   77.390   27.414 5.592262 32.70031 
1 1 1   12   37   26 o   61.029   17.253   53.144   27.463   75.802   31.310 -22.4461   57.188   72.730   17.460   46.241   21.321 26.48965 27.55780 
1 1 1   12   37   27 o   60.797   13.308   50.774   19.643   61.392   21.197 -13.7752   52.263   67.068   13.126   45.770   20.830 21.29853 24.62097 
1 1 1   12   37   28 o   92.590   11.620  113.791   26.274  135.871   30.361   47.933   52.435  100.940   12.299   61.090   23.821 39.84990 26.80890 
1 1 1   12   37   29 f   67.738   23.286   68.652   47.623   0.0000   0.0000   68.652   47.623  ?   ?    67.738   23.286 0.000000 23.28596 
1 1 1   12   38    0 o   80.202   20.873  122.286   42.209  123.524   42.635   61.256  299.344   80.428   21.001   53.400   27.533 27.02729 34.62781 
1 1 1   12   38    1 o   31.508   14.039   0.8269   22.343   4.4389   22.832 -80.7639  108.517   32.965   14.460   44.710   22.426 -11.74415 26.68369 
1 1 1   12   38    2 o   44.689   17.138   29.915   26.805   31.705   27.674   2.7209  107.862   45.572   17.428   51.067   25.020 -5.495064 30.49205 
1 1 1   12   38    3 o   45.676   17.471   30.901   27.811   31.180   28.687   26.546  113.397   45.899   17.697   54.596   26.504 -8.697201 31.86944 
1 1 1   12   38    4 o   58.179   27.448   56.124  103.996   0.0000   0.0000   56.124  103.996  ?   ?    58.179   27.448 0.000000 27.44796 
1 1 1   12   38    5 o   41.093   16.163   20.767   24.314   22.384   25.014  -6.9078  103.484   42.015   16.434   52.992   25.629 -10.97784 30.44499 
1 1 1   12   38    6 o   43.926   16.780   25.694   25.636   29.030   26.373 -31.5277  109.236   45.619   17.112   52.506   25.607 -6.886936 30.79840 
1 1 1   12   38    7 o   23.964   11.259 -14.5302   17.174 -16.5529   17.223  335.855  226.693   23.462   11.100   78.965   38.128 -55.50349 39.71069 
1 1 1   12   38    8 o   40.272   15.755   18.630   22.996   24.314   23.722 -69.9921   93.665   43.221   16.226   47.828   23.408 -4.606495 28.48182 
1 1 1   12   38    9 o   38.079   15.224   14.530   21.902   11.620   22.537   63.964   92.899   37.097   15.217   63.604   28.461 -26.50656 32.27376 
1 1 1   12   38   10 o   84.397   17.240  106.743   35.106  103.578   37.784  126.725   94.929   81.714   18.894   75.695   31.160 6.019127 36.44100 
1 1 1   12   38   11 o   47.745   23.438 -92.7708   96.116   0.0000   0.0000 -92.7708   96.116  ?   ?    47.745   23.438 0.000000 23.43849 
1 1 1   12   38   12 o   58.180   17.946   51.001   28.672   62.220   30.282 -46.1872   89.129   63.922   18.133   50.581   24.291 13.34047 30.31243 
1 1 1   12   38   13 o   76.239   17.846   87.124   33.375   96.027   35.805   28.149   92.150   79.774   18.355   60.628   27.618 19.14540 33.16146 
1 1 1   12   38   14 o   66.132   17.712   65.432   29.835   72.301   31.785   14.529   86.525   69.292   18.152   58.148   26.594 11.14431 32.19826 
1 1 1   12   38   15 o  210.366   17.286  635.118   90.005  825.089  125.184  431.825  129.499  231.052   21.960  143.882   36.101 87.17010 42.25590 
1 1 1   12   38   16 o   98.007   17.375  139.386   40.968  172.139   46.147   17.548   89.004  108.966   17.555   59.736   27.185 49.23026 32.36075 
1 1 1   12   38   17 o  104.723   16.188  155.604   40.969  171.525   46.309   98.261   87.887  108.869   17.637   74.630   30.262 34.23965 35.02665 
1 1 1   12   38   18 o   51.571   16.717   37.490   24.597   48.079   25.834 -65.1989   80.455   57.587   16.876   47.635   22.928 9.952297 28.46885 
1 1 1   12   38   19 o   56.225   26.659 -35.1195  100.413   0.0000   0.0000 -35.1195  100.413  ?   ?    56.225   26.659 0.000000 26.65872 
1 1 1   12   38   20 o   95.672   16.443  129.979   37.867  146.475   42.710   69.364   81.872  100.826   17.604   68.913   28.703 31.91309 33.67109 
1 1 1   12   38   21 o   92.371   16.322  120.981   36.273  134.169   40.822   71.497   79.075   96.491   17.590   69.304   28.474 27.18681 33.46877 
1 1 1   12   38   22 o   93.529   16.463  124.096   37.046  147.512   42.389   48.375   76.226  101.508   17.345   64.064   27.245 37.44434 32.29777 
1 1 1   12   38   23 o   84.333   16.689  101.601   33.902  100.197   36.151  111.842   97.644   82.925   17.976   78.975   31.942 3.949821 36.65293 
1 1 1   12   38   24 o  108.642   15.322  163.943   40.413  174.261   47.584  137.236   76.555  110.120   17.920   87.376   29.531 22.74496 34.54263 
1 1 1   12   38   25 o  150.426   13.789  306.752   51.222  313.904   66.873  296.599   79.674  147.699   18.539  137.720   24.042 9.978592 30.35965 
1 1 1   12   38   26 o   89.548   16.004  113.041   34.475  124.675   41.039   85.143   63.551   92.522   18.410   72.561   26.687 19.96033 32.42137 
1 1 1   12   38   27 o  119.035   14.058  193.361   40.982  186.180   53.062  203.979   64.519  112.543   19.592  114.376   23.379 -1.833115 30.50278 
1 1 1   12   38   28 o  120.148   22.429  221.240   64.819   0.0000   0.0000  221.240   64.819  ?   ?   120.148   22.429 0.000000 22.42877 
1 1 1   12   39    1 o   23.504   11.286 -19.1741   19.233 -21.3388   19.275  476.236  291.596   23.069   11.134   55.239   28.416 -32.16982 30.51920 
1 1 1   12   39    2 o   56.871   19.162   61.702   32.231   66.514   33.557   4.3952  115.801   58.607   19.552   47.930   23.909 10.67754 30.88559 
1 1 1   12   39    3 o   46.680   23.263 -29.9095  108.509   0.0000   0.0000 -29.9095  108.509  ?   ?    46.680   23.263 0.000000 23.26258 
1 1 1   12   39    4 o   57.818   19.178   60.337   32.302   74.834   33.726 -100.4955  112.339   64.367   19.387   44.296   22.299 20.07046 29.54784 
1 1 1   12   39    5 o   45.573   22.891 -99.4193  115.086   0.0000   0.0000 -99.4193  115.086  ?   ?    45.573   22.891 0.000000 22.89121 
1 1 1   12   39    6 o   75.618   19.374   97.756   36.749  108.318   39.235   22.241  104.908   79.192   19.872   53.540   25.872 25.65263 32.62279 
1 1 1   12   39    7 o   37.866   15.525   14.681   23.449   13.524   24.108   34.978  100.963   37.654   15.620   55.525   26.443 -17.87109 30.71178 
1 1 1   12   39    8 o  108.190   18.386  185.904   47.896  210.997   53.600   86.478  106.695  113.808   19.565   62.607   28.956 51.20089 34.94654 
1 1 1   12   39    9 o   86.379   19.581  122.000   41.263  125.632   42.014   23.099  219.228   87.586   19.688   62.005   31.205 25.58051 36.89687 
1 1 1   12   39   10 o  118.983   18.030  218.567   51.893  256.658   59.145   91.188  108.159  127.518   19.167   65.406   29.844 62.11122 35.46842 
1 1 1   12   39   11 o  101.191   16.575  153.126   40.433  136.274   43.714  252.888  106.361   92.391   19.557   97.508   34.703 -5.117157 39.83435 
1 1 1   12   39   12 o   68.506   18.427   73.916   32.211   87.028   34.242 -26.8964   94.946   74.452   18.499   52.020   25.005 22.43150 31.10446 
1 1 1   12   39   13 o   58.319   26.857   29.536   90.349   0.0000   0.0000   29.536   90.349  ?   ?    58.319   26.857 0.000000 26.85675 
1 1 1   12   39   14 o   99.158   16.564  144.761   39.569  141.863   43.486  158.707   95.397   96.098   18.795   82.332   32.123 13.76644 37.21747 
1 1 1   12   39   15 o   44.054   15.990   25.675   22.708   23.238   23.566   57.307   84.914   43.037   16.169   63.005   27.755 -19.96796 32.12130 
1 1 1   12   39   16 o  125.635   16.506  229.033   50.530  269.911   59.519  123.513   95.626  134.591   18.173   76.116   31.297 58.47480 36.19085 
1 1 1   12   39   17 o  124.313   16.948  225.089   51.242  224.744   54.696  227.563  146.519  122.712   18.418   88.195   37.646 34.51745 41.90990 
1 1 1   12   39   18 o   68.043   17.754   69.796   30.486   80.923   32.660  -5.5636   84.995   73.218   17.991   54.535   25.434 18.68302 31.15388 
1 1 1   12   39   19 o   90.725   18.672  123.912   40.892  178.351   46.351 -67.1958   86.846  110.467   17.377   48.292   23.385 62.17499 29.13435 
1 1 1   12   39   20 o  110.879   18.109  181.322   48.409  213.638   52.673   5.5881  122.830  120.538   18.055   62.570   29.614 57.96844 34.68379 
1 1 1   12   39   21 o   48.867   16.923   33.029   25.175   38.730   26.635 -14.7568   77.110   52.030   17.419   51.997   24.242 0.3298950E-01 29.85138 
1 1 1   12   39   22 o   77.658   17.965   89.822   34.146  116.525   37.997 -22.2717   77.849   88.948   17.729   51.298   24.059 37.65064 29.88530 
1 1 1   12   39   23 o   99.883   16.076  142.339   38.737  151.674   44.574  113.534   78.301  101.394   18.276   77.878   29.427 23.51606 34.64090 
1 1 1   12   39   24 o  115.937   15.781  190.059   44.502  175.002   49.542  252.961  101.262  108.498   18.976  110.845   33.639 -2.347023 38.62264 
1 1 1   12   39   25 o  103.644   16.120  152.975   40.365  177.432   48.326   96.529   73.414  109.953   18.239   73.843   28.352 36.10993 33.71221 
1 1 1   12   39   26 o   34.438   14.618   4.6569   21.872  -0.6455   23.544   38.057   59.091   33.578   14.708   57.663   24.227 -24.08494 28.34183 
1 1 1   12   39   27 o   55.425   23.477   31.439   56.224   0.0000   0.0000   31.439   56.224  ?   ?    55.425   23.477 0.000000 23.47715 
1 1 1   12   40    4 o   49.018   18.479   45.342   30.833   56.111   32.013 -92.7147  114.621   53.496   19.039   42.005   21.304 11.49084 28.57142 
1 1 1   12   40    5 o   47.008   18.130   38.761   30.118   47.630   31.254 -76.5500  112.702   50.683   18.703   43.520   21.962 7.162292 28.84669 
1 1 1   12   40    6 o   51.460   25.482   37.080  122.296   0.0000   0.0000   37.080  122.296  ?   ?    51.460   25.482 0.000000 25.48222 
1 1 1   12   40    7 o   30.492   13.625  -0.2692   21.209   1.9461   21.649 -53.2121  105.832   31.477   13.933   45.847   22.867 -14.36948 26.77754 
1 1 1   12   40    8 o   54.790   18.102   51.394   28.789   49.791   30.015   69.826  101.788   53.721   18.486   56.365   26.758 -2.643299 32.52267 
1 1 1   12   40    9 o   66.240   19.206   76.212   33.619   84.742   35.501   2.0853  104.651   69.575   19.597   51.326   25.039 18.24886 31.79608 
1 1 1   12   40   10 f  108.990   19.310  196.529   50.632  196.994   52.236  189.316  205.857  108.019   20.105   64.455   32.108 43.56434 37.88308 
1 1 1   12   40   11 o   85.667   20.694  126.424   43.773  187.301   48.249 -156.7756  104.065  107.901   18.577   42.356   21.340 65.54523 28.29251 
1 1 1   12   40   12 o   67.031   17.937   72.545   30.616   60.361   32.207  186.786   98.622   60.168   19.090   80.256   32.227 -20.08828 37.45687 
1 1 1   12   40   13 o   60.139   18.317   58.572   29.985   69.104   31.640 -34.2829   93.946   65.151   18.553   49.519   24.059 15.63223 30.38212 
1 1 1   12   40   14 o   55.200   26.636  -2.2518  110.195   0.0000   0.0000  -2.2518  110.195  ?   ?    55.200   26.636 0.000000 26.63551 
1 1 1   12   40   15 o   42.545   16.050   23.614   23.267   28.928   24.033 -55.8160   92.914   45.383   16.454   48.285   23.563 -2.902462 28.73951 
1 1 1   12   40   16 o   59.768   17.782   55.882   28.503   58.185   30.009   34.647   91.119   60.667   18.290   58.094   26.830 2.573059 32.47175 
1 1 1   12   40   17 f   39.496   15.581   17.186   22.658   21.890   23.469 -47.3666   86.944   41.992   16.052   48.406   23.430 -6.414143 28.40136 
1 1 1   12   40   18 o   84.600   17.958  109.707   36.764  102.108   38.254  201.571  133.007   80.311   19.312   81.809   35.404 -1.497131 40.32865 
1 1 1   12   40   19 o  108.654   16.702  174.365   43.867  191.639   49.943  116.045   91.768  112.133   18.480   73.074   30.408 39.05865 35.58283 
1 1 1   12   40   20 o   89.391   17.542  120.319   37.760  136.195   42.035   53.949   85.944   94.361   18.500   61.982   27.581 32.37933 33.21101 
1 1 1   12   40   21 o   34.516   14.425   7.4516   20.776   9.8181   21.493 -26.2362   81.092   35.917   14.811   50.134   23.825 -14.21661 28.05308 
1 1 1   12   40   22 o   45.923   22.161 -54.0431   76.324   0.0000   0.0000 -54.0431   76.324  ?   ?    45.923   22.161 0.000000 22.16102 
1 1 1   12   40   23 f   39.364   15.753   15.397   23.477   10.294   24.666   64.533   76.542   37.807   15.751   63.861   27.233 -26.05340 31.46025 
1 1 1   12   40   24 o   92.148   16.623  124.704   36.843  117.361   42.251  148.009   75.267   86.458   19.972   85.683   29.280 0.7750549 35.44255 
1 1 1   12   40   25 o   35.330   15.153   4.6300   23.944   15.969   25.242 -97.2191   75.651   40.398   16.275   41.777   20.565 -1.378819 26.22573 
1 1 1   12   40   26 o   52.649   23.421   18.661   61.923   0.0000   0.0000   18.661   61.923  ?   ?    52.649   23.421 0.000000 23.42073 
1 1 1   12   40   27 o   74.634   33.432  126.636  128.532   0.0000   0.0000  126.636  128.532  ?   ?    74.634   33.432 0.000000 33.43179 
1 1 1   12   41    7 o   48.520   18.224   44.188   29.933   38.704   30.787  138.952  127.977   46.135   18.175   54.116   26.660 -7.981022 32.26550 
1 1 1   12   41    8 o   44.861   22.492 -35.3232  108.541   0.0000   0.0000 -35.3232  108.541  ?   ?    44.861   22.492 0.000000 22.49176 
1 1 1   12   41    9 o   55.438   18.610   56.492   30.402   58.912   31.701   28.755  107.307   56.171   19.003   49.809   24.514 6.361851 31.01657 
1 1 1   12   41   10 o   70.520   19.683   91.174   35.984  101.212   38.091   7.9163  109.701   73.992   20.096   49.514   24.448 24.47742 31.64686 
1 1 1   12   41   11 o   63.337   19.307   72.345   33.302   74.705   33.838  -0.4709  187.958   64.259   19.433   53.295   27.056 10.96373 33.31167 
1 1 1   12   41   12 o   66.619   18.946   77.474   33.015   77.857   34.825   74.075  103.779   65.917   19.665   56.903   27.016 9.013676 33.41504 
1 1 1   12   41   13 o   45.313   16.933   31.097   25.778   35.251   26.666 -28.1810  100.740   47.346   17.306   48.456   23.829 -1.109524 29.45037 
1 1 1   12   41   14 o   63.794   18.267   68.205   30.585   57.130   32.098  177.476  100.821   57.653   19.117   74.066   31.409 -16.41241 36.76981 
1 1 1   12   41   15 o   60.046   28.803   76.759  124.527   0.0000   0.0000   76.759  124.527  ?   ?    60.046   28.803 0.000000 28.80338 
1 1 1   12   41   16 o   51.269   17.925   41.796   28.278   46.935   29.616 -11.2203   95.124   53.695   18.367   50.774   24.560 2.921265 30.66771 
1 1 1   12   41   17 o  100.922   19.420  166.097   47.165  222.179   53.712 -22.7840   98.572  117.686   18.918   50.665   24.622 67.02121 31.05054 
1 1 1   12   41   18 o  108.981   17.392  183.587   45.739  198.841   51.887  130.411   96.877  110.939   19.438   70.385   30.338 40.55365 36.03087 
1 1 1   12   41   19 o   76.071   18.937   93.991   35.833   94.181   37.310   91.735  128.620   75.447   19.619   64.338   30.406 11.10917 36.18626 
1 1 1   12   41   20 o   83.368   18.549  110.556   37.621  125.020   41.424   42.462   89.879   87.939   19.385   57.818   26.683 30.12172 32.98161 
1 1 1   12   41   21 o   40.349   15.968   18.752   23.864   14.761   24.905   63.556   83.441   39.042   16.003   60.892   27.131 -21.84982 31.49865 
1 1 1   12   41   22 o  106.358   17.484  172.807   44.823  186.165   51.463  130.829   91.232  107.706   19.866   73.359   30.405 34.34653 36.31995 
1 1 1   12   41   23 o   65.472   28.232   86.363   83.958   0.0000   0.0000   86.363   83.958  ?   ?    65.472   28.232 0.000000 28.23161 
1 1 1   12   41   24 o   95.448   17.618  139.552   40.447  147.558   47.126  117.160   78.812   95.174   20.439   72.728   28.943 22.44569 35.43195 
1 1 1   12   41   25 o   58.288   25.635   49.271   72.174   0.0000   0.0000   49.271   72.174  ?   ?    58.288   25.635 0.000000 25.63517 
1 1 1   12   42   12 o   55.285   18.910   58.109   31.395   66.637   32.793 -35.5844  108.693   58.814   19.315   44.958   22.536 13.85577 29.68008 
1 1 1   12   42   13 o   24.432   11.636 -17.1657   19.560 -18.2390   19.681   69.321  176.667   24.273   11.591   52.728   26.710 -28.45559 29.11685 
1 1 1   12   42   14 o   59.459   19.052   64.971   32.018   59.995   33.615  113.636  105.128   56.510   19.556   58.194   27.499 -1.684135 33.74321 
1 1 1   12   42   15 o   42.150   16.589   25.808   25.626   31.982   26.517 -61.4026   99.660   45.001   17.096   44.415   22.159 0.5860443 27.98750 
1 1 1   12   42   16 o   60.457   19.476   66.334   33.427   71.141   34.581  -2.0884  130.459   62.319   19.782   51.314   25.561 11.00471 32.32204 
1 1 1   12   42   17 o   90.864   19.248  141.166   42.316  133.648   46.361  178.691  103.581   84.567   21.811   70.490   30.863 14.07764 37.79211 
1 1 1   12   42   18 o   66.764   18.732   76.658   32.500   68.740   34.480  139.743   97.318   61.953   19.762   66.575   29.500 -4.622601 35.50786 
1 1 1   12   42   19 o   48.992   17.981   38.567   28.828   42.781   30.322  -1.0567   92.979   50.883   18.477   49.927   24.182 0.9559708 30.43242 
1 1 1   12   42   20 o   47.032   17.777   33.887   28.580   32.312   29.399   60.976  121.896   46.425   17.911   57.640   27.862 -11.21560 33.12212 
1 1 1   12   42   21 o   89.981   19.465  135.877   42.466  150.810   47.443   75.700   95.238   92.999   20.934   59.324   27.410 33.67535 34.48918 
1 1 1   12   42   22 o   71.734   19.436   87.745   35.682   76.950   39.077  141.906   87.530   65.175   21.065   71.513   29.723 -6.337578 36.43009 
1 1 1   12   42   23 o   53.944   18.959   48.335   31.651   46.488   34.381   58.602   81.054   52.959   19.602   57.319   26.030 -4.360157 32.58547 
1 1 1   12   42   24 o   49.403   24.857 -116.7908  138.632   0.0000   0.0000 -116.7908  138.632  ?   ?    49.403   24.857 0.000000 24.85687 
1 1 1   13  -29    0 o   50.250   22.405   8.4728   57.018 -39.2280  120.991   22.091   64.647   58.422   28.119   54.971   24.217 3.450554 37.10948 
1 1 1   13  -29    1 f   67.909   25.907   78.912   61.057   46.258  121.829   89.865   70.558   65.897   30.638   70.687   27.613 -4.789955 41.24553 
1 1 1   13  -28    0 o   54.602   22.970   27.547   53.229   2.9450  107.539   35.530   61.260   62.420   28.940   58.497   24.627 3.922722 38.00046 
1 1 1   13  -28    1 o   52.221   22.492   19.705   53.166   55.275  112.355   9.4431   60.350   68.914   31.032   52.076   23.146 16.83843 38.71300 
1 1 1   13  -28    2 o   44.067   20.284 -14.7875   51.453   5.4740  111.245 -20.3016   58.034   61.668   28.871   45.586   21.178 16.08197 35.80564 
1 1 1   13  -28    3 o   57.446   24.005   40.845   57.532   5.9192  119.444   51.395   65.649   61.907   29.271   61.192   25.613 0.7155037 38.89443 
1 1 1   13  -27    0 o   71.354   17.092   72.407   30.054   30.272   38.900  134.802   47.336   52.317   20.485   95.908   20.392 -43.59098 28.90469 
1 1 1   13  -27    1 o   66.776   24.965   64.920   56.042   31.910  110.243   76.423   65.078   68.026   30.675   70.951   26.823 -2.924850 40.74879 
1 1 1   13  -27    2 o   51.112   22.277   12.051   53.417   44.314  107.913   1.5797   61.477   68.413   30.640   51.551   23.104 16.86281 38.37491 
1 1 1   13  -27    3 o   75.154   25.871   94.027   58.793  111.539  112.704   87.480   68.912   78.152   33.179   72.633   27.568 5.518929 43.13765 
1 1 1   13  -27    4 o   53.608   23.164   22.514   56.756 -24.7596  110.695   39.374   66.107   58.706   27.880   59.447   25.329 -0.7412796 37.66747 
1 1 1   13  -27    5 o   74.273   26.956   98.160   64.529   51.589  122.582  116.013   75.896   67.540   31.167   78.236   29.091 -10.69630 42.63442 
1 1 1   13  -26    0 o   42.165   16.783   14.950   26.505   11.740   34.702   19.444   41.066   44.978   18.706   50.198   20.560 -5.220554 27.79602 
1 1 1   13  -26    1 o  125.614   12.309  207.700   38.115  153.178   52.270  269.609   55.699  102.733   21.081  140.816   16.130 -38.08261 26.54455 
1 1 1   13  -26    2 f   60.991   17.799   52.751   28.790   49.267   36.730   58.302   46.362   59.622   20.453   64.355   22.911 -4.732853 30.71209 
1 1 1   13  -26    3 o   63.002   24.190   53.270   53.441  117.765  104.418   30.381   62.206   82.671   33.173   58.585   24.748 24.08603 41.38786 
1 1 1   13  -26    4 o   55.510   23.488   26.366   56.181   57.618  114.877   16.542   64.409   71.576   31.866   55.559   24.331 16.01733 40.09325 
1 1 1   13  -26    5 o   68.315   25.856   72.465   60.514  191.891  118.192   30.037   70.448   93.744   35.978   59.151   25.682 34.59345 44.20441 
1 1 1   13  -26    6 o   70.248   26.113   81.186   61.145 -40.2872  115.533  128.449   72.066   58.313   27.911   83.955   28.650 -25.64207 39.99858 
1 1 1   13  -26    7 o   67.158   25.900   73.661   61.460   97.015  118.419   65.051   71.903   73.462   32.547   65.443   27.048 8.019547 42.31919 
1 1 1   13  -25    0 o   92.453   18.206  117.615   40.536   94.379   52.231  152.807   64.278   80.855   24.075  101.924   25.358 -21.06822 34.96606 
1 1 1   13  -25    1 o  137.655   12.044  246.415   40.985  253.647   58.466  239.428   57.470  136.757   17.523  132.661   17.797 4.096130 24.97535 
1 1 1   13  -25    2 o   85.288   15.105   98.586   30.992   72.986   41.137  132.190   47.131   71.356   21.393   96.444   20.216 -25.08867 29.43356 
1 1 1   13  -25    3 f   62.660   17.574   55.102   28.612   59.906   36.989   47.947   45.146   64.986   20.439   60.962   22.482 4.023987 30.38469 
1 1 1   13  -25    4 o   28.361   13.164 -16.8183   22.338 -12.3651   26.250 -28.5064   42.528   32.471   14.772   38.761   18.048 -6.290760 23.32273 
1 1 1   13  -25    5 o   72.517   25.593   80.490   57.732   25.619  103.878  105.013   69.444   66.806   29.981   80.300   28.090 -13.49446 41.08398 
1 1 1   13  -25    6 o   39.621   18.800 -43.1039   50.114 -45.0847   99.176 -42.4247   58.074   56.005   26.537   43.208   20.424 12.79686 33.48619 
1 1 1   13  -25    7 o   87.070   26.516  128.199   62.838   85.668  114.028  146.747   75.305   74.625   32.535   90.471   29.242 -15.84628 43.74508 
1 1 1   13  -25    8 o   44.131   20.412 -19.3234   53.028 -87.1517  103.209   5.0039   61.810   51.638   25.118   51.576   23.138 0.6250763E-01 34.15095 
1 1 1   13  -25    9 o   52.647   22.964   19.690   56.867   29.436  110.678   16.195   66.286   64.030   29.571   54.302   24.189 9.727722 38.20421 
1 1 1   13  -24    0 o   47.050   17.514   23.435   27.523   9.3546   38.848   37.626   38.999   47.111   19.709   57.138   20.922 -10.02729 28.74375 
1 1 1   13  -24    1 o   47.501   17.521   24.750   27.419   37.715   37.470   9.8066   40.230   56.539   20.538   47.762   20.024 8.777740 28.68409 
1 1 1   13  -24    2 o  143.545   14.657  271.066   51.803  213.089   67.163  356.216   81.394  122.829   22.734  160.947   20.734 -38.11749 30.76866 
1 1 1   13  -24    3 o   51.033   17.490   32.880   26.856   71.461   35.522 -18.5957   41.032   71.389   19.413   40.584   18.465 30.80545 26.79243 
1 1 1   13  -24    4 o   69.021   16.975   66.142   29.055   76.986   37.639   50.151   45.707   73.579   19.973   62.442   22.683 11.13697 30.22309 
1 1 1   13  -24    5 o   29.047   13.387 -15.1351   22.507 -23.0344   26.478   5.4395   42.732   30.114   14.094   46.771   20.154 -16.65700 24.59360 
1 1 1   13  -24    6 f   93.373   14.152  117.767   31.965   90.917   40.330  163.130   52.421   78.905   20.339  106.273   20.496 -27.36830 28.87479 
1 1 1   13  -24    7 o   52.226   22.441   14.582   52.684   38.408  100.067   5.4453   61.967   68.229   30.089   53.320   23.588 14.90906 38.23273 
1 1 1   13  -24    8 o   58.350   23.640   38.933   53.579   25.243   97.793   44.805   64.048   64.724   29.065   62.046   25.574 2.678532 38.71484 
1 1 1   13  -24    9 o   43.790   20.152 -17.9850   50.748  -0.7838  100.305 -23.9028   58.834   60.666   28.065   45.981   21.349 14.68489 35.26204 
1 1 1   13  -24   10 o   84.090   26.475  122.063   62.041  152.740  110.316  107.872   75.031   85.141   34.121   77.613   28.912 7.528236 44.72325 
1 1 1   13  -24   11 o   48.194   21.679   1.6015   54.666   98.010  104.391 -34.8265   64.168   73.437   31.572   45.438   21.475 27.99924 38.18354 
1 1 1   13  -23    0 o   83.109   15.828   91.876   31.650   96.011   47.063   88.462   42.765   83.425   22.201   80.304   21.064 3.121078 30.60329 
1 1 1   13  -23    1 o   49.077   17.544   27.608   27.211   27.925   38.807   27.301   38.166   53.603   20.606   53.124   20.432 0.4787369 29.01792 
1 1 1   13  -23    2 o  145.474   11.655  271.712   41.983  266.228   60.425  276.830   58.374  141.632   17.454  144.938   16.418 -3.306152 23.96220 
1 1 1   13  -23    3 o  112.482   12.899  164.625   35.576  158.859   49.621  170.724   51.033  107.989   19.099  112.128   18.898 -4.139053 26.86830 
1 1 1   13  -23    4 o   81.092   18.478   90.765   36.585   98.790   44.937   74.988   63.006   83.649   21.420   74.773   26.699 8.875671 34.22934 
1 1 1   13  -23    5 o   50.521   17.403   31.928   26.606   36.060   33.938   25.339   42.859   54.478   19.580   53.365   21.310 1.112541 28.93942 
1 1 1   13  -23    6 o  112.959   13.039  167.939   36.105  153.443   47.676  187.433   55.286  105.090   18.860  115.810   19.830 -10.71909 27.36678 
1 1 1   13  -23    7 f  101.977   13.288  138.148   33.036  112.770   42.397  177.369   52.708   88.964   19.612  112.229   19.515 -23.26522 27.66728 
1 1 1   13  -23    8 o   45.529   16.550   24.704   24.338   20.030   28.398   37.635   47.234   44.931   17.528   57.533   22.560 -12.60204 28.56909 
1 1 1   13  -23    9 o   48.654   21.333   4.1823   49.642 -38.2939   95.272   20.012   58.161   56.587   26.564   55.270   23.659 1.317459 35.57200 
1 1 1   13  -23   10 o   67.991   25.314   68.984   57.501 -33.8848  104.913  113.153   68.746   58.623   27.630   81.966   27.983 -23.34303 39.32514 
1 1 1   13  -23   11 o   49.024   21.806   3.0566   53.663   2.0150  102.654   3.4482   62.949   61.422   28.406   52.132   23.371 9.290302 36.78498 
1 1 1   13  -23   12 o   77.575   26.253  103.037   60.506  162.274  109.828   77.223   72.501   87.026   34.313   69.406   27.716 17.61992 44.10883 
1 1 1   13  -23   13 o   70.695   25.864   85.301   59.576   82.183  105.771   86.750   72.101   70.664   31.057   70.704   27.826 -0.3968048E-01 41.69941 
1 1 1   13  -22    0 f   36.631   17.318 -45.5140   41.794 -70.4500   82.882 -37.0111   48.398   53.083   24.873   41.936   19.433 11.14701 31.56469 
1 1 1   13  -22    1 o   49.940   17.548   29.014   27.117   51.345   39.751   9.5763   37.086   63.682   21.281   46.749   19.382 16.93276 28.78405 
1 1 1   13  -22    2 o  167.805   10.991  358.606   45.803  383.033   66.799  336.931   62.924  171.725   15.753  160.934   15.864 10.79103 22.35631 
1 1 1   13  -22    3 o  162.751   11.387  338.420   45.986  442.000   66.743  244.812   63.449  184.829   14.579  135.310   19.327 49.51910 24.20898 
1 1 1   13  -22    4 o  167.363   11.207  358.201   46.567  379.604   66.739  337.895   65.006  170.343   15.872  160.359   16.467 9.983307 22.87110 
1 1 1   13  -22    5 o   48.307   17.298   26.987   26.466   34.457   34.477   16.268   41.299   54.412   19.710   50.357   20.620 4.055149 28.52540 
1 1 1   13  -22    6 o  128.523   15.376  218.420   48.368  220.398   61.037  215.082   79.300  126.825   19.930  121.078   26.924 5.747505 33.49773 
1 1 1   13  -22    7 f   34.814   14.972   0.1498   23.486  -2.5724   28.153   6.3814   42.595   37.045   16.158   47.572   20.302 -10.52748 25.94699 
1 1 1   13  -22    8 o   31.871   14.039  -4.2528   21.726 -20.5127   25.151   43.549   43.124   29.823   13.884   59.504   21.968 -29.68123 25.98746 
1 1 1   13  -22    9 o   85.336   14.814   98.764   30.424   76.626   37.534  141.177   51.952   73.045   19.994   98.535   21.700 -25.49052 29.50681 
1 1 1   13  -22   10 o   37.702   15.370   9.5976   22.818  -2.6967   26.007   50.707   47.556   35.166   15.429   61.987   23.032 -26.82095 27.72248 
1 1 1   13  -22   11 o   63.640   24.137   55.026   52.805   39.650   97.683   61.375   62.766   67.894   29.843   66.924   26.072 0.9696960 39.62730 
1 1 1   13  -22   12 f   73.258   25.235   84.949   55.941   95.618  101.130   80.245   67.150   76.950   31.963   71.792   27.222 5.158264 41.98366 
1 1 1   13  -22   13 o   60.021   24.143   46.055   55.452  144.344  103.158   6.1122   65.761   85.415   33.383   53.381   23.912 32.03442 41.06343 
1 1 1   13  -22   14 o   42.098   19.743 -29.5343   52.409  -8.3161   96.365 -38.4462   62.453   57.863   27.018   44.660   21.131 13.20279 34.30025 
1 1 1   13  -21    0 o  206.977   10.670  542.251   54.961  535.026   80.908  548.442   74.894  203.870   16.021  206.952   14.585 -3.082138 21.66598 
1 1 1   13  -21    1 o   81.536   15.786   87.842   30.980  139.194   48.105   51.453   40.495  102.038   19.591   64.133   21.479 37.90424 29.07144 
1 1 1   13  -21    2 o  202.229   16.474  528.981   82.470  635.993  128.949  454.913  107.280  217.775   24.116  183.947   23.921 33.82901 33.96767 
1 1 1   13  -21    3 o  110.806   12.567  158.030   34.159  179.731   50.276  139.423   46.554  116.630   17.828  102.080   18.961 14.55083 26.02624 
1 1 1   13  -21    4 o  178.175   10.926  403.868   48.379  394.384   69.592  412.739   67.301  174.158   16.187  178.591   15.237 -4.432938 22.22986 
1 1 1   13  -21    5 o  117.597   12.192  178.032   35.283  199.029   49.839  156.936   49.956  122.894   16.670  107.956   19.236 14.93825 25.45439 
1 1 1   13  -21    6 o  168.513   11.144  362.928   46.631  381.312   66.480  345.122   65.426  170.824   15.762  162.164   16.381 8.659592 22.73290 
1 1 1   13  -21    7 o   96.178   14.325  121.943   33.356  171.967   45.169   61.943   49.469  113.721   16.378   68.837   23.729 44.88453 28.83237 
1 1 1   13  -21    8 o   98.370   16.839  130.515   39.878  124.691   47.546  144.331   73.231   94.452   20.727   98.289   28.302 -3.836868 35.07996 
1 1 1   13  -21    9 o  160.630   11.362  332.915   45.281  300.038   61.719  371.242   66.638  149.624   16.809  166.989   16.183 -17.36478 23.33345 
1 1 1   13  -21   10 o   34.837   14.779   2.6781   22.336  -0.6349   25.979   12.067   43.735   36.106   15.636   49.338   20.792 -13.23183 26.01506 
1 1 1   13  -21   11 o   31.911   13.918  -1.9899   20.884   5.2661   23.321 -31.3591   46.919   36.361   15.245   40.759   18.972 -4.398289 24.33809 
1 1 1   13  -21   12 o  108.028   13.102  155.614   34.622  157.181   42.897  152.686   58.641  106.590   16.662  100.200   23.791 6.390099 29.04502 
1 1 1   13  -21   13 o   96.957   24.846  148.245   60.432  158.428  102.560  142.829   74.796   91.975   33.891   91.538   29.097 0.4366226 44.66822 
1 1 1   13  -21   14 o   97.106   25.224  152.498   61.715  183.472  107.213  137.149   75.474   95.398   34.727   88.231   29.318 7.166969 45.44762 
1 1 1   13  -21   15 o   50.825   22.335   10.602   54.685 -12.6095   98.182   21.041   65.843   58.417   27.275   56.150   24.595 2.267075 36.72659 
1 1 1   13  -21   16 o   60.899   24.625   51.059   58.020   30.962  100.156   61.209   71.181   63.312   28.822   64.961   26.885 -1.648689 39.41492 
1 1 1   13  -20    0 o  263.552   11.494  877.372   75.645  876.779  109.854  877.907  104.317  261.205   16.933  261.754   16.036 -0.5490112 23.32147 
1 1 1   13  -20    1 o   98.169   12.916  124.163   30.895  105.229   46.865  138.716   41.087   88.270   21.467  102.925   16.546 -14.65508 27.10403 
1 1 1   13  -20    2 o  215.034   10.836  585.263   57.999  621.693   84.648  553.026   79.628  220.114   15.499  207.553   15.475 12.56110 21.90166 
1 1 1   13  -20    3 o   72.216   16.564   69.468   29.235   93.680   44.379   50.905   38.858   83.180   21.279   63.587   21.032 19.59272 29.91899 
1 1 1   13  -20    4 o  170.740   16.828  378.331   70.816  419.733  111.630  350.448   91.610  175.448   26.289  161.477   23.401 13.97066 35.19476 
1 1 1   13  -20    5 o  142.553   11.662  259.360   41.152  320.979   59.502  202.859   56.976  157.525   15.320  123.631   19.068 33.89390 24.46018 
1 1 1   13  -20    6 o  209.947   10.851  559.960   56.694  536.963   80.960  582.088   79.416  203.514   16.061  212.399   15.071 -8.884903 22.02448 
1 1 1   13  -20    7 o   88.746   14.468  103.581   30.959  106.696   41.942   99.852   45.888   88.551   19.495   85.109   21.565 3.442619 29.07065 
1 1 1   13  -20    8 o  123.511   12.218  196.689   37.189  237.672   50.945  149.939   54.413  134.698   15.424  104.198   21.620 30.50060 26.55793 
1 1 1   13  -20    9 o  116.822   12.495  176.919   35.887  168.061   47.560  188.631   54.688  111.857   17.609  117.879   19.242 -6.021889 26.08307 
1 1 1   13  -20   10 f  223.825   14.650  654.833   81.432  570.756  105.735  777.399  127.664  204.137   21.044  237.794   21.739 -33.65720 30.25621 
1 1 1   13  -20   11 o  120.155   12.764  188.798   37.713  229.366   49.927  134.897   57.549  131.210   15.539   96.066   24.046 35.14386 28.62985 
1 1 1   13  -20   12 o   60.953   17.061   51.463   26.994   71.905   32.255   3.6775   49.316   71.585   18.048   49.424   21.473 22.16161 28.05084 
1 1 1   13  -20   13 o  113.794   12.466  170.827   34.846  120.025   42.813  270.524   59.975   91.774   19.294  140.178   17.516 -48.40464 26.05830 
1 1 1   13  -20   14 o   68.211   23.012   68.353   46.487   36.593   93.537   78.771   53.572   67.231   29.385   72.288   24.702 -5.056778 38.38833 
1 1 1   13  -20   15 f   48.316   21.390   1.4422   51.053 -64.5728   89.873   32.893   62.034   51.693   24.709   58.956   24.799 -7.263607 35.00741 
1 1 1   13  -20   16 o   62.212   24.792   51.232   57.899 -43.0242  100.095   98.626   70.978   55.995   26.569   76.627   28.201 -20.63166 38.74519 
1 1 1   13  -20   17 o   45.339   20.863 -15.9570   54.383   39.851   93.439 -44.5454   66.877   64.484   28.722   45.626   21.669 18.85812 35.97912 
1 1 1   13  -20   18 o   48.875   22.029   1.6490   56.771   12.412   98.669  -3.6773   69.410   60.148   27.828   51.648   23.694 8.499630 36.54871 
1 1 1   13  -19    0 o  237.119   10.431  708.184   61.768  802.119   90.588  626.564   84.442  250.939   14.518  221.413   15.367 29.52570 21.14080 
1 1 1   13  -19    1 o  274.322   11.484  949.927   78.666  954.719  113.601  945.511  109.040  272.869   16.753  271.801   16.137 1.067444 23.26090 
1 1 1   13  -19    2 o  299.856   11.976  1136.60   89.678  1233.09  129.129  1046.70  124.639  310.101   16.737  285.243   17.584 24.85779 24.27587 
1 1 1   13  -19    3 o   84.023   14.147   92.055   28.629  105.709   43.144   81.313   38.268   88.783   19.947   77.874   19.672 10.90914 28.01539 
1 1 1   13  -19    4 o  252.157   11.049  803.038   69.577  864.476  100.543  746.581   96.381  259.739   15.573  241.099   16.101 18.63965 22.39999 
1 1 1   13  -19    5 o  186.734   10.684  441.720   49.612  475.112   72.442  412.224   68.084  192.305   15.209  178.989   15.382 13.31619 21.63145 
1 1 1   13  -19    6 o  266.028   16.890  913.798  111.623  1002.47  166.250  841.013  150.622  273.787   24.578  250.769   24.360 23.01831 34.60488 
1 1 1   13  -19    7 o  144.882   11.203  267.399   40.216  297.757   57.265  237.857   56.491  151.674   15.330  134.775   17.175 16.89857 23.02141 
1 1 1   13  -19    8 o  226.881   11.075  652.715   62.750  719.721   89.725  588.568   87.790  236.159   15.297  212.822   16.651 23.33678 22.61102 
1 1 1   13  -19    9 o  231.455   11.239  680.863   64.959  722.618   92.011  639.371   91.721  236.016   15.701  221.394   16.713 14.62135 22.93180 
1 1 1   13  -19   10 o  157.977   11.293  319.489   44.256  346.804   61.127  289.399   64.158  163.046   15.188  147.664   17.755 15.38213 23.36474 
1 1 1   13  -19   11 o  102.409   15.826  139.626   39.167  125.060   45.489  181.379   77.015   95.250   19.772  110.956   27.841 -15.70555 34.14742 
1 1 1   13  -19   12 o   68.625   17.784   64.926   30.725   61.366   34.051   80.527   71.277   66.657   19.329   77.302   28.289 -10.64456 34.26173 
1 1 1   13  -19   13 o  111.355   12.737  162.607   34.782  155.165   44.039  174.945   56.707  106.778   17.092  111.225   21.190 -4.447266 27.22477 
1 1 1   13  -19   14 o   39.719   15.334   15.073   21.559   5.0373   23.943   58.076   49.564   36.732   15.426   65.658   23.656 -28.92610 28.24109 
1 1 1   13  -19   15 o   36.419   14.723   9.4465   20.737   9.7051   22.751   8.1777   50.401   37.737   15.362   50.355   21.793 -12.61809 26.66307 
1 1 1   13  -19   16 o   73.149   27.548   80.846   68.481   0.0000   0.0000   80.846   68.481  ?   ?    73.149   27.548 0.000000 27.54779 
1 1 1   13  -19   17 o   68.219   29.487   52.423   92.034   52.423   92.034   0.0000   0.0000   68.219   29.487  ?   ?  0.000000 29.48670 
1 1 1   13  -19   18 o   62.245   24.435   53.405   55.465   41.963   94.780   59.364   68.399   65.748   29.124   65.515   26.649 0.2329865 39.47644 
1 1 1   13  -19   19 o   51.078   22.490   12.260   55.687   31.180   95.817   2.6094   68.431   63.013   28.489   52.873   23.975 10.13953 37.23491 
1 1 1   13  -19   20 o   48.261   22.451 -16.0805   65.556   0.0000   0.0000 -16.0805   65.556  ?   ?    48.261   22.451 0.000000 22.45052 
1 1 1   13  -18    0 o   92.112   15.439  110.584   34.256  134.505   50.948   90.848   46.278  100.407   20.995   82.380   22.057 18.02692 30.45135 
1 1 1   13  -18    1 o   85.539   16.451   96.227   33.865  133.185   50.451   65.918   45.688   99.884   20.898   71.607   22.739 28.27731 30.88314 
1 1 1   13  -18    2 o  347.950   12.936  1531.71  112.403  1517.81  161.019  1544.93  156.983  343.380   18.850  346.799   18.190 -3.418854 26.19579 
1 1 1   13  -18    3 o  166.096   10.457  348.888   43.150  325.479   63.779  368.648   58.597  158.953   16.298  169.937   13.931 -10.98402 21.44065 
1 1 1   13  -18    4 f  322.039   12.301  1311.64   98.922  1411.66  141.948  1217.20  137.931  331.667   17.198  307.495   18.042 24.17218 24.92518 
1 1 1   13  -18    5 o  101.023   12.537  131.099   30.947  141.280   45.838  122.572   41.950  103.399   18.428   96.226   18.123 7.173401 25.84632 
1 1 1   13  -18    6 o  184.146   10.597  429.213   48.524  527.118   70.829  342.617   66.612  203.142   14.049  162.781   16.620 40.36086 21.76222 
1 1 1   13  -18    7 o   75.521   15.824   75.563   28.888   98.448   41.864   54.761   39.914   85.498   19.969   65.512   21.299 19.98579 29.19600 
1 1 1   13  -18    8 o  209.358   16.685  566.746   86.504  649.071  134.936  509.305  112.713  219.633   25.051  195.082   23.618 24.55095 34.42891 
1 1 1   13  -18    9 o  343.099   13.014  1498.81  111.499  1702.69  158.829  1300.71  156.562  362.843   17.529  314.949   20.010 47.89453 26.60237 
1 1 1   13  -18   10 o  252.791   10.909  810.163   68.864  761.296   97.176  859.461   97.603  242.393   16.147  258.125   15.209 -15.73149 22.18173 
1 1 1   13  -18   11 o   70.622   16.027   67.005   27.618   74.531   34.850   54.299   45.284   73.981   18.819   65.647   22.699 8.333893 29.48579 
1 1 1   13  -18   12 o  105.621   13.136  145.274   33.899  207.673   44.451   58.538   52.407  126.090   14.374   68.279   24.353 57.81104 28.27909 
1 1 1   13  -18   13 o  142.047   15.004  265.217   52.415  280.852   63.745  232.578   92.101  144.665   18.037  124.167   30.032 20.49788 35.03199 
1 1 1   13  -18   14 o  131.251   12.285  223.908   39.798  256.750   51.734  176.296   62.290  139.272   15.118  110.886   23.239 28.38585 27.72322 
1 1 1   13  -18   15 o   78.383   16.279   84.363   30.822  105.466   37.088   37.256   55.413   87.270   17.625   60.575   24.216 26.69543 29.95097 
1 1 1   13  -18   16 o   46.869   16.299   27.548   23.364   28.049   26.263   25.646   51.162   47.993   17.227   55.440   22.855 -7.447224 28.62047 
1 1 1   13  -18   17 o   43.442   16.031   21.747   22.962   33.671   25.212 -36.2421   55.601   50.388   16.948   43.680   20.437 6.708614 26.54970 
1 1 1   13  -18   18 o   67.147   24.606   65.838   53.954  105.213   89.987   43.738   67.416   79.699   31.170   62.870   26.104 16.82855 40.65732 
1 1 1   13  -18   19 o   49.527   21.791   6.4855   52.199   62.120   88.083 -23.6275   64.803   69.075   29.329   48.444   22.462 20.63125 36.94271 
1 1 1   13  -18   20 o   51.113   22.437   11.724   55.057 -17.7369   94.247   26.987   67.835   56.816   26.591   57.710   25.129 -0.8939896 36.58643 
1 1 1   13  -18   21 o   47.517   21.688  -6.5718   57.181   63.166   99.491 -40.9705   69.875   67.546   29.884   46.549   22.119 20.99722 37.17960 
1 1 1   13  -17    0 o  112.322   11.023  160.349   30.520  164.973   46.697  156.901   40.325  112.592   17.150  110.263   15.037 2.328918 22.80915 
1 1 1   13  -17    1 o  136.190   10.235  234.611   34.554  265.679   52.569  210.975   45.852  144.015   14.829  128.228   14.579 15.78726 20.79530 
1 1 1   13  -17    2 o  113.484   14.075  165.520   39.031  204.599   57.422  131.959   53.215  125.062   18.983   99.217   22.050 25.84521 29.09571 
1 1 1   13  -17    3 o  210.359   14.166  563.329   73.981  535.029  105.166  591.055  104.092  202.632   21.092  213.612   19.737 -10.97966 28.88671 
1 1 1   13  -17    4 o  109.024   11.358  151.483   30.469  221.697   46.101   97.020   40.602  131.470   14.271   85.267   19.493 46.20309 24.15889 
1 1 1   13  -17    5 o  212.295   10.354  567.640   54.893  694.760   80.303  456.134   75.209  233.689   13.822  188.502   16.133 45.18747 21.24429 
1 1 1   13  -17    6 o  128.693   11.103  210.450   35.331  190.350   51.822  227.908   48.296  120.698   17.721  133.105   14.779 -12.40715 23.07531 
1 1 1   13  -17    7 o  279.832   11.527  989.250   80.553  1043.18  115.436  938.065  112.460  285.284   16.271  270.276   16.745 15.00781 23.34827 
1 1 1   13  -17    8 o   98.521   12.776  124.993   30.691  161.593   44.203   90.923   42.647  111.274   16.399   82.139   20.777 29.13587 26.46920 
1 1 1   13  -17    9 o  194.669   10.732  480.005   51.968  492.867   74.643  467.906   72.396  195.817   15.389  190.788   15.325 5.028854 21.71776 
1 1 1   13  -17   10 o  140.385   18.167  258.575   62.194  277.645  100.502  246.741   79.175  140.476   29.584  134.562   24.463 5.914078 38.38870 
1 1 1   13  -17   11 o  175.332   11.215  391.108   48.846  479.665   68.938  301.822   69.221  193.130   14.398  151.346   18.714 41.78383 23.61155 
1 1 1   13  -17   12 o  165.151   10.939  347.454   44.857  351.992   61.532  342.306   65.532  164.765   15.124  161.929   16.434 2.836029 22.33382 
1 1 1   13  -17   13 o   55.097   16.469   40.089   24.408   49.958   29.143   16.904   44.669   61.103   17.929   52.281   21.431 8.821667 27.94191 
1 1 1   13  -17   14 o   99.217   13.092  128.572   31.645  136.482   39.959  115.267   51.825  101.085   16.391   90.330   22.934 10.75493 28.18925 
1 1 1   13  -17   15 o  103.103   31.560  164.653   88.864   0.0000   0.0000  164.653   88.864  ?   ?   103.103   31.560 0.000000 31.55958 
1 1 1   13  -17   16 o   41.680   16.106   16.372   23.802   16.372   23.802   0.0000   0.0000   41.680   16.106  ?   ?  0.000000 16.10576 
1 1 1   13  -17   17 o  101.219   14.056  136.825   34.568  171.858   42.063   63.938   60.673  112.987   15.302   69.286   25.962 43.70111 30.13563 
1 1 1   13  -17   18 o   86.379   14.883  101.709   30.945  116.416   36.274   62.399   59.305   91.757   16.435   67.782   25.611 23.97488 30.43027 
1 1 1   13  -17   19 o   46.770   20.534   2.0271   46.129   27.147   84.122  -8.7741   55.162   63.412   27.787   48.122   21.699 15.28979 35.25621 
1 1 1   13  -17   20 o   95.226   24.937  144.750   60.001  191.781   98.380  116.896   75.712  100.343   33.478   82.639   29.293 17.70416 44.48476 
1 1 1   13  -17   21 o   56.995   23.652   34.570   55.302   49.790   93.467   26.371   68.598   66.948   29.315   58.177   25.301 8.771000 38.72349 
1 1 1   13  -17   22 o  139.711   22.613  304.299   76.197  315.048  120.612  297.160   98.298  119.811   36.783  126.199   31.335 -6.388000 48.32063 
1 1 1   13  -17   23 o   44.083   20.692 -26.3382   57.786 -21.1722   97.403 -29.1440   71.783   55.270   26.220   48.198   22.759 7.072018 34.72014 
1 1 1   13  -16    0 o  102.912   11.263  134.886   28.472  131.196   43.423  137.669   37.710  100.000   18.053  103.203   15.077 -3.203392 23.52108 
1 1 1   13  -16    1 o  246.925   10.765  767.234   66.377  801.205   96.093  736.233   91.797  250.866   15.414  240.456   15.368 10.41003 21.76604 
1 1 1   13  -16    2 o  120.929   10.581  185.376   31.631  191.408   48.141  180.795   41.960  121.694   16.247  118.639   14.462 3.055008 21.75159 
1 1 1   13  -16    3 o  176.299   10.104  392.145   44.299  374.723   65.248  407.042   60.336  171.139   15.434  178.886   13.609 -7.747314 20.57646 
1 1 1   13  -16    4 o   60.669   16.506   48.402   25.671   49.102   43.767   48.035   31.696   64.388   22.313   61.190   18.868 3.197403 29.22063 
1 1 1   13  -16    5 o  103.758   14.775  139.216   37.202  161.037   53.572  118.892   51.701  110.303   20.193   94.031   22.347 16.27149 30.11925 
1 1 1   13  -16    6 o  398.932   13.924  2017.11  138.711  2112.21  197.629  1924.78  194.736  405.323   19.525  386.013   20.273 19.31073 28.14663 
1 1 1   13  -16    7 o  102.799   12.003  135.229   30.233  166.325   44.536  108.651   41.174  113.142   16.228   90.412   18.848 22.72954 24.87097 
1 1 1   13  -16    8 o  397.983   13.943  2010.22  138.571  2154.03  197.188  1869.92  194.771  408.942   19.309  379.713   20.618 29.22916 28.24817 
1 1 1   13  -16    9 o  264.585   11.526  884.403   76.153  924.641  108.842  845.814  106.587  268.515   16.309  256.597   16.726 11.91815 23.36125 
1 1 1   13  -16   10 o  178.119   10.656  401.753   47.182  388.612   67.251  414.492   66.211  173.765   15.667  179.755   14.884 -5.990356 21.60987 
1 1 1   13  -16   11 o  220.279   12.877  618.044   70.523  771.304  132.834  557.890   83.220  241.668   22.261  208.068   16.143 33.59984 27.49845 
1 1 1   13  -16   12 o  160.515   17.145  335.582   67.659  394.164  106.103  295.435   87.834  169.998   25.804  147.268   24.763 22.72968 35.76394 
1 1 1   13  -16   13 o   96.681   13.254  121.314   31.157  139.642   40.595   95.042   48.602  102.920   16.341   83.199   22.743 19.72105 28.00470 
1 1 1   13  -16   14 o  105.581   13.351  144.778   34.415  182.634   45.013   91.513   53.394  117.985   15.665   81.374   24.367 36.61043 28.96786 
1 1 1   13  -16   15 o  129.318   11.866  215.259   37.891  238.168   49.543  182.971   58.816  134.937   14.954  115.437   21.184 19.50064 25.93038 
1 1 1   13  -16   16 o   60.698   16.727   49.980   26.166   47.063   30.549   58.015   50.700   59.380   18.559   67.350   23.961 -7.970505 30.30772 
1 1 1   13  -16   17 o   54.718   17.528   39.603   27.103   40.221   28.397   33.287   90.821   55.254   17.965   69.608   29.674 -14.35391 34.68841 
1 1 1   13  -16   18 o  166.343   10.815  357.058   44.681  314.857   56.852  425.237   72.262  153.887   14.984  177.958   16.447 -24.07111 22.24926 
1 1 1   13  -16   19 o   62.531   16.668   54.602   26.501   75.113   30.193 -14.2240   55.308   73.316   16.845   47.768   21.617 25.54769 27.40516 
1 1 1   13  -16   20 o   79.204   15.525   86.808   29.608   98.031   33.926   50.941   60.646   83.634   16.827   64.201   25.440 19.43359 30.50101 
1 1 1   13  -16   21 o   41.957   19.496 -27.3115   49.213 -47.1657   82.572 -16.3735   61.288   51.617   24.385   48.833   22.352 2.783997 33.07866 
1 1 1   13  -16   22 o  122.769   22.766  230.409   67.227  299.279  107.616  186.333   86.091  126.426   33.536  101.017   31.087 25.40980 45.72834 
1 1 1   13  -16   23 o   59.317   24.295   43.501   57.349  163.261   98.575 -17.7734   70.510   89.504   33.179   50.543   23.434 38.96107 40.62016 
1 1 1   13  -16   24 o   60.291   24.651   50.129   58.910   5.4947   99.167   74.470   73.233   59.187   27.560   67.597   27.544 -8.410233 38.96416 
1 1 1   13  -15    0 o  181.862   9.9414  416.666   44.977  443.921   66.668  393.898   60.934  186.844   14.399  176.035   13.976 10.80937 20.06702 
1 1 1   13  -15    1 o  272.721   11.096  935.847   75.569  967.141  108.680  906.554  105.149  275.711   15.852  266.909   15.847 8.801544 22.41431 
1 1 1   13  -15    2 o  113.366   10.672  163.047   29.858  190.622   45.251  141.786   39.735  121.749   15.216  104.633   15.691 17.11627 21.85734 
1 1 1   13  -15    3 o  414.999   14.560  2180.76  150.889  2185.84  214.654  2175.79  212.145  411.949   20.935  411.120   20.731 0.8288574 29.46257 
1 1 1   13  -15    4 o  139.679   10.272  246.661   35.578  219.270   52.760  269.503   48.180  130.309   16.590  145.427   13.418 -15.11868 21.33712 
1 1 1   13  -15    5 o  159.667   9.8757  321.697   39.183  330.011   57.645  314.556   53.422  160.761   14.516  157.102   13.756 3.658707 19.99825 
1 1 1   13  -15    6 o  143.476   10.471  260.414   37.258  280.756   55.499  243.725   50.270  147.970   15.237  137.861   14.836 10.10870 21.26675 
1 1 1   13  -15    7 o  175.122   13.600  390.451   59.006  383.838   83.760  396.966   83.139  171.762   19.896  174.891   19.361 -3.129196 27.76193 
1 1 1   13  -15    8 o   89.998   12.756  104.361   27.865  173.380   41.499   47.692   37.603  116.003   14.653   62.185   20.695 53.81841 25.35732 
1 1 1   13  -15    9 o  336.803   12.543  1434.43  105.490  1518.74  150.390  1352.76  148.010  344.073   17.562  324.280   18.353 19.79385 25.40160 
1 1 1   13  -15   10 o   69.445   15.605   63.807   26.402   52.375   36.955   75.726   37.734   64.089   20.461   75.272   19.807 -11.18291 28.47712 
1 1 1   13  -15   11 o  431.939   14.715  2374.78  158.720  2688.58  225.703  2067.77  223.245  456.069   19.818  397.398   22.589 58.67096 30.05029 
1 1 1   13  -15   12 o  290.245   11.500  1065.21   83.350  1053.95  118.020  1076.42  117.729  286.337   16.576  289.494   16.352 -3.156433 23.28442 
1 1 1   13  -15   13 o  112.099   16.374  164.377   44.485  181.454   88.833  158.661   51.394  113.086   30.678  109.080   19.587 4.005356 36.39812 
1 1 1   13  -15   14 o  105.506   26.449  155.748   69.552   0.0000   0.0000  155.748   69.552  ?   ?   105.506   26.449 0.000000 26.44906 
1 1 1   13  -15   15 o  115.919   16.471  176.850   46.338  176.850   46.338   0.0000   0.0000  115.919   16.471  ?   ?  0.000000 16.47118 
1 1 1   13  -15   16 f  217.490   11.128  603.263   60.238  653.742   82.954  546.952   87.615  224.610   14.874  204.013   17.363 20.59663 22.86252 
1 1 1   13  -15   17 o   41.861   15.517   18.384   21.561   16.107   24.301   26.807   46.744   42.115   16.274   55.848   22.269 -13.73243 27.58186 
1 1 1   13  -15   18 o   79.164   16.348   85.170   31.248  105.418   37.347   37.911   57.058   87.783   17.649   62.064   24.649 25.71871 30.31625 
1 1 1   13  -15   19 o   63.457   17.824   55.763   29.410   55.919   30.816   54.169   98.477   63.520   18.379   74.484   31.284 -10.96381 36.28316 
1 1 1   13  -15   20 o   81.649   14.361   90.097   28.212   77.362   32.274  131.343   58.082   74.247   17.664   93.350   24.578 -19.10320 30.26681 
1 1 1   13  -15   21 o   65.070   16.483   59.419   26.813   70.983   30.055   14.316   59.355   70.921   17.157   54.912   23.708 16.00897 29.26448 
1 1 1   13  -15   22 o   82.617   14.451   93.475   28.728   82.732   32.373  133.287   62.318   76.209   17.394   91.196   26.062 -14.98709 31.33337 
1 1 1   13  -15   23 o   45.246   20.664 -14.9031   52.009 -19.9551   84.901 -11.8685   65.801   55.404   25.697   50.896   23.244 4.507748 34.65009 
1 1 1   13  -15   24 o   66.764   25.418   67.665   58.698  163.841   95.355   8.9862   74.482   91.089   32.812   56.199   25.290 34.89031 41.42688 
1 1 1   13  -15   25 o   90.376   26.403  142.459   63.322  202.429  101.102  103.749   81.227   97.003   33.895   75.288   29.565 21.71565 44.97769 
1 1 1   13  -15   26 o   78.203   26.043  110.880   59.545  147.832   99.012   89.943   74.528   81.205   32.401   70.141   28.068 11.06462 42.86820 
1 1 1   13  -14    0 f  133.533   9.9222  225.088   32.850  236.268   48.809  215.831   44.414  135.991   14.601  130.054   13.890 5.936279 20.15311 
1 1 1   13  -14    1 o  241.533   15.210  741.023   91.274  838.265  135.469  660.179  123.519  254.869   21.485  225.731   22.200 29.13780 30.89398 
1 1 1   13  -14    2 o  284.131   16.601  1028.04  117.279  975.863  169.764  1075.67  162.208  273.385   25.149  288.256   22.718 -14.87076 33.89082 
1 1 1   13  -14    3 o  177.235   9.9747  395.863   43.967  351.378   64.324  434.873   60.235  165.776   15.726  185.189   13.110 -19.41339 20.47415 
1 1 1   13  -14    4 o  258.987   10.699  843.639   69.196  905.642   99.979  786.632   95.865  266.978   15.058  248.626   15.518 18.35196 21.62281 
1 1 1   13  -14    5 o  261.184   10.944  858.510   71.379  891.393  102.770  827.861   99.216  264.624   15.621  254.976   15.658 9.647568 22.11778 
1 1 1   13  -14    6 o   86.695   12.027   96.522   25.336   99.272   38.850   94.486   33.421   86.584   18.528   84.850   16.366 1.734245 24.72137 
1 1 1   13  -14    7 o  330.916   12.249  1381.66  101.223  1390.65  144.305  1372.95  142.025  329.736   17.589  327.701   17.418 2.035187 24.75381 
1 1 1   13  -14    8 o   93.253   12.052  111.481   27.409   96.417   40.732  123.945   37.052   85.076   19.579   97.596   15.738 -12.52037 25.12033 
1 1 1   13  -14    9 o  110.622   14.371  157.623   38.763  120.688   53.524  198.362   56.212   94.661   22.893  123.104   18.889 -28.44301 29.67962 
1 1 1   13  -14   10 o  195.424   10.091  481.881   49.075  520.715   70.556  445.487   68.304  202.197   14.061  186.755   14.767 15.44226 20.39026 
1 1 1   13  -14   11 o  244.588   10.828  754.105   66.135  869.600   94.857  644.857   92.256  261.254   14.598  224.177   16.598 37.07758 22.10419 
1 1 1   13  -14   12 o  441.203   14.883  2476.79  163.979  2694.25  233.036  2263.52  230.782  456.395   20.447  416.470   22.271 39.92438 30.23393 
1 1 1   13  -14   13 o  166.010   10.386  348.820   42.841  328.255   59.907  370.344   61.287  159.785   15.197  169.988   14.579 -10.20329 21.05919 
1 1 1   13  -14   14 o  118.830   11.892  180.488   34.814  227.537   47.178  124.242   51.584  132.888   14.450   95.692   22.041 37.19582 26.35558 
1 1 1   13  -14   15 o  120.190   19.529  192.099   56.601  229.416   88.935  166.694   73.380  127.774   28.588  109.202   27.049 18.57176 39.35632 
1 1 1   13  -14   16 o  252.619   11.388  809.709   71.840  841.375   99.535  775.274  103.793  255.257   15.691  244.216   17.128 11.04051 23.22862 
1 1 1   13  -14   17 o  108.179   12.519  151.262   33.194  188.460   42.395   92.328   53.363  120.294   14.399   81.647   24.340 38.64687 28.28023 
1 1 1   13  -14   18 o  179.344   11.409  411.876   50.831  462.052   67.937  348.063   76.614  188.564   14.540  161.010   19.449 27.55424 24.28316 
1 1 1   13  -14   19 o  168.389   11.600  364.881   48.479  423.660   63.370  281.937   75.277  180.209   14.197  142.618   21.832 37.59117 26.04150 
1 1 1   13  -14   20 o  275.215   17.198  1012.28  117.600  991.133  151.414  1044.44  186.699  265.520   23.065  264.831   28.689 0.6890259 36.81142 
1 1 1   13  -14   21 o  228.737   11.940  679.388   67.964  715.754   90.754  632.949  102.555  231.518   15.792  214.194   19.383 17.32321 25.00183 
1 1 1   13  -14   22 o  151.645   12.589  302.501   47.241  341.840   59.363  234.564   78.012  159.553   15.078  123.612   26.092 35.94095 30.13539 
1 1 1   13  -14   23 o   54.558   16.166   41.368   23.593   45.696   25.637   17.423   60.300   57.099   16.834   55.546   23.939 1.552406 29.26490 
1 1 1   13  -14   24 o   89.214   24.185  125.180   55.231  175.901   88.910   93.308   70.480   98.533   31.766   76.230   28.094 22.30270 42.40742 
1 1 1   13  -14   25 o   85.690   25.576  121.191   58.895  190.452   92.221   73.488   76.534   99.911   32.367   70.010   28.292 29.90128 42.98931 
1 1 1   13  -14   26 o  101.196   24.931  169.439   62.591  150.308  103.544  180.455   78.570   84.892   33.367   98.793   29.553 -13.90161 44.57257 
1 1 1   13  -14   27 o  158.365   20.773  386.702   80.170  538.633  126.173  283.834  103.821  169.440   30.960  115.560   33.821 53.88031 45.85208 
1 1 1   13  -13    0 f   59.982   14.501   47.211   21.482   51.198   32.643   44.166   28.530   63.173   19.083   58.810   17.858 4.362972 26.13537 
1 1 1   13  -13    1 o  122.771   10.044  190.460   30.523  174.177   45.463  203.823   41.185  116.248   16.093  126.503   13.233 -10.25443 20.83500 
1 1 1   13  -13    2 o  128.820   10.170  209.667   32.451  214.810   48.960  205.638   43.337  129.425   15.454  126.919   13.901 2.505875 20.78620 
1 1 1   13  -13    3 o  199.508   14.693  505.785   72.684  542.428  108.308  475.760   98.039  204.682   21.512  191.783   20.805 12.89894 29.92638 
1 1 1   13  -13    4 o  180.803   14.948  416.310   66.884  355.811   99.739  465.750   90.162  164.068   25.146  190.135   19.255 -26.06703 31.67096 
1 1 1   13  -13    5 o   88.029   11.611   99.206   24.901  116.680   38.958   87.136   32.378   94.423   17.154   81.446   16.485 12.97697 23.79112 
1 1 1   13  -13    6 o   98.050   11.249  122.554   27.044  172.356   41.472   85.709   35.671  115.814   14.669   80.466   18.181 35.34824 23.36052 
1 1 1   13  -13    7 o  209.662   10.052  552.518   52.629  592.492   76.283  516.209   72.704  215.949   14.226  201.424   14.552 14.52396 20.35020 
1 1 1   13  -13    8 o  141.720   9.9984  253.710   35.158  229.810   51.693  274.280   47.957  133.657   15.793  146.768   13.227 -13.11052 20.60033 
1 1 1   13  -13    9 o  147.857   10.136  276.188   37.198  265.722   54.374  285.396   51.000  143.922   15.367  149.581   13.810 -5.659225 20.66013 
1 1 1   13  -13   10 f  288.010   11.583  1045.77   83.308  1109.39  119.649  985.903  116.063  294.825   16.315  277.693   16.816 17.13229 23.42999 
1 1 1   13  -13   11 o  203.817   13.934  528.598   70.493  539.550   98.319  517.012  101.123  204.116   19.527  199.367   20.609 4.749008 28.39106 
1 1 1   13  -13   12 f  420.055   14.429  2239.20  151.354  2409.48  215.056  2072.08  213.051  432.593   19.908  399.705   21.423 32.88831 29.24475 
1 1 1   13  -13   13 o  118.282   16.450  181.761   47.273   0.0000   0.0000  181.761   47.273  ?   ?   118.282   16.450 0.000000 16.44979 
1 1 1   13  -13   14 o   85.500   18.373   97.353   38.060   97.353   38.060   0.0000   0.0000   85.500   18.373  ?   ?  0.000000 18.37313 
1 1 1   13  -13   15 o  161.051   10.716  328.783   42.853  357.950   59.259  296.812   62.042  167.114   14.339  151.347   16.694 15.76701 22.00637 
1 1 1   13  -13   16 o  177.668   10.714  400.270   47.311  421.263   64.910  376.480   69.101  181.163   14.469  170.525   16.431 10.63783 21.89309 
1 1 1   13  -13   17 o   72.508   23.257   69.252   47.702   91.370   78.516   56.312   60.057   84.368   29.839   70.218   25.924 14.15010 39.52739 
1 1 1   13  -13   18 o  108.888   12.776  153.265   34.078  190.747   43.699   95.087   54.442  120.991   14.770   82.917   24.554 38.07333 28.65410 
1 1 1   13  -13   19 o  226.511   11.633  656.027   65.579  732.358   89.330  566.803   96.580  237.458   15.144  206.525   18.938 30.93301 24.24804 
1 1 1   13  -13   20 o   87.784   13.538  101.548   28.723   90.505   33.766  130.456   54.631   81.589   17.119   95.853   23.096 -14.26434 28.74892 
1 1 1   13  -13   21 o  159.144   11.237  326.374   44.369  330.382   56.132  319.701   72.435  158.608   14.327  152.973   19.398 5.635239 24.11495 
1 1 1   13  -13   22 o  221.803   16.610  659.936   91.332  665.684  111.400  648.149  159.514  218.764   20.636  201.343   32.859 17.42131 38.80177 
1 1 1   13  -13   23 o  157.491   11.585  323.208   45.241  343.022   56.841  288.958   74.730  160.533   14.330  141.725   21.815 18.80814 26.10037 
1 1 1   13  -13   24 o   92.920   13.783  116.387   31.012  113.974   35.955  123.397   61.285   90.554   16.508   88.420   26.015 2.134727 30.81117 
1 1 1   13  -13   25 o   94.730   13.894  121.708   31.892  117.889   36.726  133.417   64.305   91.690   16.653   90.538   26.652 1.152382 31.42686 
1 1 1   13  -13   26 o  108.381   23.456  182.681   61.642  382.120  100.467   62.278   78.062  153.128   27.273   67.948   28.141 85.18061 39.18852 
1 1 1   13  -13   27 o   86.287   25.094  124.299   57.317  195.938   96.040   84.668   71.433   98.433   33.077   71.526   27.828 26.90656 43.22593 
1 1 1   13  -13   28 o   75.154   26.219  100.027   60.481  221.570  102.705   35.501   74.833   99.787   34.202   59.269   26.084 40.51744 43.01369 
1 1 1   13  -12    0 o  105.057   10.578  139.899   27.373  121.637   40.614  155.100   37.054   96.591   17.481  110.137   13.774 -13.54633 22.25565 
1 1 1   13  -12    1 o  208.424   9.8788  544.960   51.417  546.207   74.247  543.811   71.272  207.629   14.409  207.285   13.849 0.3439941 19.98527 
1 1 1   13  -12    2 o  157.315   9.6308  311.605   37.652  310.739   54.941  312.373   51.703  156.330   14.229  156.916   13.320 -0.5867004 19.49123 
1 1 1   13  -12    3 o  282.717   11.475  1004.96   81.012  954.834  115.749  1053.10  113.423  273.940   17.004  288.091   15.827 -14.15189 23.22997 
1 1 1   13  -12    4 o  206.883   10.142  537.442   52.397  500.114   75.565  572.012   72.720  198.270   15.382  212.494   13.778 -14.22444 20.65106 
1 1 1   13  -12    5 o  258.494   15.954  849.566  102.481  768.083  148.506  923.646  141.600  242.623   24.862  267.713   21.359 -25.09044 32.77679 
1 1 1   13  -12    6 o  152.965   15.227  298.986   57.391  223.417   86.802  357.679   76.498  128.565   27.843  166.542   18.718 -37.97675 33.55000 
1 1 1   13  -12    7 o  194.290   10.214  475.652   49.381  442.509   71.615  505.693   68.182  186.254   15.539  199.626   13.761 -13.37231 20.75684 
1 1 1   13  -12    8 o  298.996   11.584  1125.80   86.490  1167.02  123.729  1086.42  120.948  302.698   16.430  291.946   16.659 10.75186 23.39820 
1 1 1   13  -12    9 o  157.008   9.8995  310.992   38.615  346.641   56.700  280.154   52.735  165.011   13.889  148.101   14.443 16.90985 20.03750 
1 1 1   13  -12   10 o   63.268   14.625   52.695   22.643   52.564   33.402   52.806   30.801   63.795   19.311   63.589   18.368 0.2060776 26.65128 
1 1 1   13  -12   11 o  140.568   10.128  249.752   35.312  235.505   51.357  262.527   48.633  135.369   15.470  143.422   13.747 -8.052841 20.69586 
1 1 1   13  -12   12 o   74.941   15.247   73.798   27.563   67.040   42.095   78.870   36.468   71.672   21.675   76.978   19.069 -5.306068 28.86968 
1 1 1   13  -12   13 o   92.169   15.895  111.003   35.263  133.708   46.473   80.189   54.140  100.522   19.214   78.489   24.735 22.03307 31.32046 
1 1 1   13  -12   14 o  164.309   10.102  341.090   41.248  337.775   57.966  344.489   58.707  162.519   14.433  164.128   14.472 -1.609039 20.43896 
1 1 1   13  -12   15 o  237.663   10.780  712.195   63.976  761.221   90.258  662.691   90.696  244.210   14.871  227.374   16.077 16.83585 21.90025 
1 1 1   13  -12   16 o  266.320   11.122  895.582   73.968  919.333  104.199  871.456  105.018  267.945   15.641  260.610   16.217 7.335541 22.53081 
1 1 1   13  -12   17 o  257.370   10.808  836.775   69.465  819.092   97.175  855.254   99.336  252.661   15.476  258.197   15.478 -5.535919 21.88787 
1 1 1   13  -12   18 o  116.291   11.696  173.114   33.504  181.193   42.883  160.456   53.678  118.136   14.866  109.257   20.425 8.879204 25.26206 
1 1 1   13  -12   19 o  159.668   16.933  333.523   66.484  325.828  101.789  339.248   87.801  152.265   27.794  158.197   22.891 -5.931686 36.00703 
1 1 1   13  -12   20 f   99.592   12.978  128.984   31.510  159.463   38.475   66.891   54.915  110.473   14.281   71.965   24.990 38.50822 28.78281 
1 1 1   13  -12   21 o   79.629   13.848   83.995   26.537   82.279   31.117   88.573   50.819   77.975   16.496   79.365   23.774 -1.389999 28.93611 
1 1 1   13  -12   22 o  242.835   11.123  755.364   67.449  795.597   90.499  705.089  101.164  246.474   14.772  229.598   17.783 16.87611 23.11798 
1 1 1   13  -12   23 o  144.229   12.323  271.089   43.956  323.891   55.447  181.775   72.113  156.620   14.336  109.707   26.598 46.91242 30.21559 
1 1 1   13  -12   24 o  208.841   16.295  587.707   84.306  557.510   98.652  669.485  162.344  199.704   20.053  201.757   33.390 -2.052597 38.94888 
1 1 1   13  -12   25 o  110.411   12.853  161.875   34.775  182.130   41.438  113.643   63.945  116.230   14.599   84.780   26.899 31.45078 30.60507 
1 1 1   13  -12   26 o  107.447   13.084  154.493   34.382  151.078   40.287  163.646   65.965  104.627   15.922  101.455   25.937 3.171883 30.43409 
1 1 1   13  -12   27 o   71.628   16.427   73.052   28.758   93.219   32.449  -0.7772   62.087   81.057   16.590   51.573   23.159 29.48375 28.48799 
1 1 1   13  -12   28 o   57.605   23.359   40.261   52.362   75.918   88.494   21.052   64.953   70.643   29.662   55.871   24.452 14.77197 38.44138 
1 1 1   13  -12   29 o   43.730   20.196 -16.0680   51.627   26.333   88.649 -37.8294   63.509   60.299   27.320   44.741   21.210 15.55837 34.58661 
1 1 1   13  -11    0 f  481.766   15.757  2927.21  189.570  3074.59  268.992  2781.78  267.202  491.457   21.918  467.055   22.910 24.40134 31.70584 
1 1 1   13  -11    1 o  276.616   10.833  960.185   74.833  1029.42  107.159  894.287  104.549  285.358   15.092  265.747   15.826 19.61050 21.86831 
1 1 1   13  -11    2 o  266.179   10.786  889.304   71.692  930.421  102.557  850.011  100.257  271.150   15.208  259.047   15.571 12.10312 21.76511 
1 1 1   13  -11    3 o  277.130   10.888  964.369   75.350  1022.22  107.961  909.428  105.215  284.151   15.271  267.837   15.801 16.31375 21.97430 
1 1 1   13  -11    4 o  270.770   11.177  921.192   75.573  866.660  108.092  973.338  105.702  261.129   16.663  277.157   15.332 -16.02795 22.64361 
1 1 1   13  -11    5 o  127.373   9.8516  204.811   31.092  171.172   46.053  232.987   42.147  115.145   16.487  135.462   12.604 -20.31729 20.75268 
1 1 1   13  -11    6 o   95.507   10.796  116.060   25.297  131.432   39.030  104.924   33.219  100.687   16.063   89.876   15.352 10.81109 22.21954 
1 1 1   13  -11    7 o  274.891   11.182  950.293   76.761  966.391  110.339  935.195  106.859  275.707   16.096  271.282   15.843 4.425201 22.58495 
1 1 1   13  -11    8 o  133.136   15.438  227.339   50.374  227.341   77.765  227.337   66.122  130.611   24.749  131.766   20.784 -1.155670 32.31827 
1 1 1   13  -11    9 o  170.040   9.7492  364.314   41.224  355.133   60.092  372.477   56.659  166.946   14.560  171.271   13.353 -4.325836 19.75595 
1 1 1   13  -11   10 o  286.021   11.361  1029.92   81.147  988.218  115.856  1070.08  113.694  278.357   16.745  290.039   15.757 -11.68137 22.99291 
1 1 1   13  -11   11 o  100.691   11.000  129.086   27.208  171.172   40.566   94.671   36.683  115.443   14.384   84.651   17.912 30.79285 22.97254 
1 1 1   13  -11   12 o  143.367   14.037  262.469   49.608   0.0000   0.0000  262.469   49.608  ?   ?   143.367   14.037 0.000000 14.03659 
1 1 1   13  -11   13 o  290.376   16.417  1076.09  118.554  1076.09  118.554   0.0000   0.0000  290.376   16.417  ?   ?  0.000000 16.41680 
1 1 1   13  -11   14 o  430.190   21.152  2387.05  227.230  2608.36  320.658  2163.82  322.050  442.573   29.178  399.943   32.528 42.62976 43.69648 
1 1 1   13  -11   15 o  311.610   16.194  1240.19  125.578  1082.38  174.563  1409.44  180.788  286.858   24.607  329.124   22.125 -42.26654 33.09139 
1 1 1   13  -11   16 o  238.592   10.856  717.647   64.679  718.883   91.202  716.396   91.741  237.152   15.485  236.696   15.609 0.4562378 21.98681 
1 1 1   13  -11   17 o  217.275   10.473  595.147   56.827  624.516   79.331  564.194   81.441  221.175   14.443  209.768   15.660 11.40701 21.30324 
1 1 1   13  -11   18 o  181.531   10.377  417.065   46.845  383.602   63.673  456.548   69.164  172.829   14.899  188.683   14.798 -15.85400 20.99879 
1 1 1   13  -11   19 o  296.700   11.585  1115.29   85.835  1121.97  119.575  1108.18  123.287  295.101   16.289  292.917   16.927 2.184235 23.49178 
1 1 1   13  -11   20 o  190.431   13.339  465.090   63.034  508.022  109.849  444.014   76.967  194.168   23.109  184.587   16.885 9.581512 28.62024 
1 1 1   13  -11   21 o  155.254   12.280  309.448   47.222  318.634   56.663  288.562   85.441  156.661   14.654  144.200   24.611 12.46066 28.64314 
1 1 1   13  -11   22 o  136.627   11.179  239.595   37.805  211.587   47.319  289.027   62.864  126.852   15.243  147.468   17.406 -20.61605 23.13693 
1 1 1   13  -11   23 o  150.788   10.660  291.794   39.883  259.591   49.772  349.568   66.666  140.626   14.375  162.072   16.712 -21.44609 22.04383 
1 1 1   13  -11   24 o   91.436   14.322  111.673   31.629  158.867   37.790   1.3007   57.792  109.447   14.159   52.617   23.045 56.82976 27.04716 
1 1 1   13  -11   25 o  100.543   17.687  139.953   42.786  156.351   45.142  -4.9867  134.206  106.441   17.598   71.389   32.822 35.05132 37.24267 
1 1 1   13  -11   26 o  124.858   12.779  206.138   39.283  232.314   47.521  149.651   69.809  131.460   14.729   96.805   27.556 34.65545 31.24537 
1 1 1   13  -11   27 o   70.107   15.633   68.620   26.671   66.938   29.921   75.125   58.837   68.518   17.442   71.100   25.750 -2.582191 31.10117 
1 1 1   13  -11   28 o  161.623   12.420  346.820   49.744  360.516   60.435  318.049   87.592  162.581   15.057  142.116   25.624 20.46426 29.72020 
1 1 1   13  -11   29 o   96.829   23.941  150.167   57.564  173.526   97.028  137.480   71.508   93.239   33.150   88.070   28.498 5.169319 43.71563 
1 1 1   13  -11   30 o   89.470   25.711  138.039   60.492  145.784   98.664  133.374   76.572   83.339   32.626   83.605   29.478 -0.2666779 43.97092 
1 1 1   13  -10    0 o  587.443   26.868  4418.60  394.147  4574.44  557.572  4262.95  557.245  589.330   38.091  567.686   39.556 21.64429 54.91429 
1 1 1   13  -10    1 o  276.319   12.646  959.026   87.257  1102.12  150.802  887.006  106.985  294.073   20.667  264.744   16.261 29.32840 26.29697 
1 1 1   13  -10    2 o  388.329   13.543  1896.59  131.332  1883.06  186.384  1909.93  185.087  384.997   19.450  388.310   19.087 -3.313141 27.25093 
1 1 1   13  -10    3 o  178.402   9.5093  400.034   42.212  446.382   61.398  358.492   58.129  187.941   13.165  168.188   13.967 19.75282 19.19354 
1 1 1   13  -10    4 o  541.761   17.431  3714.85  235.824  3856.34  334.307  3574.70  332.711  548.435   24.410  527.542   25.256 20.89252 35.12413 
1 1 1   13  -10    5 o  188.864   9.9088  448.675   46.570  415.574   67.473  478.788   64.356  180.848   15.078  194.551   13.327 -13.70285 20.12336 
1 1 1   13  -10    6 o  169.702   9.7526  362.491   41.156  359.179   60.039  365.427   56.526  168.121   14.441  169.783   13.442 -1.662750 19.72885 
1 1 1   13  -10    7 o  107.650   10.211  146.784   27.121  163.544   41.363  134.144   35.921  112.807   15.059  102.099   14.496 10.70813 20.90259 
1 1 1   13  -10    8 o  158.187   9.7918  315.290   38.490  295.172   56.228  333.030   52.799  152.094   15.000  162.017   13.164 -9.922943 19.95693 
1 1 1   13  -10    9 o  120.942   9.8319  184.850   29.437  215.489   44.280  160.585   39.405  129.937   13.861  111.839   14.447 18.09836 20.02091 
1 1 1   13  -10   10 o  251.734   15.792  806.138   98.771  735.533  142.671  871.125  136.877  237.366   24.418  259.814   21.284 -22.44749 32.39167 
1 1 1   13  -10   11 o  274.412   11.187  947.581   76.660  855.978  109.557  1035.46  107.306  258.960   17.037  285.563   15.101 -26.60333 22.76629 
1 1 1   13  -10   12 o  220.717   10.213  612.362   56.293  597.060   80.788  626.805   78.484  216.602   15.029  222.171   14.221 -5.569916 20.69066 
1 1 1   13  -10   13 o  356.541   12.861  1604.71  114.506  1631.56  162.653  1578.33  161.228  357.089   18.302  351.130   18.452 5.958649 25.98925 
1 1 1   13  -10   14 o  316.136   11.913  1260.08   94.044  1199.39  133.893  1319.18  132.122  306.213   17.584  321.636   16.505 -15.42365 24.11658 
1 1 1   13  -10   15 o  545.576   17.338  3796.82  236.215  3670.63  334.204  3922.78  333.914  530.189   25.242  548.924   24.360 -18.73486 35.07948 
1 1 1   13  -10   16 o  189.561   13.844  457.465   65.082  477.997   88.707  433.528   95.778  192.300   18.710  182.068   21.479 10.23166 28.48527 
1 1 1   13  -10   17 o  224.110   12.061  636.153   67.253  628.881   82.212  650.863  116.930  221.991   14.917  223.447   21.210 -1.456161 25.93011 
1 1 1   13  -10   18 o  165.679   10.510  347.325   43.259  392.608   59.589  296.870   62.901  175.408   13.713  151.481   16.917 23.92744 21.77694 
1 1 1   13  -10   19 o  310.933   12.046  1223.63   93.532  1195.10  130.993  1253.30  133.594  304.672   17.289  312.065   17.210 -7.393463 24.39402 
1 1 1   13  -10   20 o  161.804   9.8519  331.440   39.618  256.642   51.853  436.335   61.406  140.969   14.958  184.727   13.403 -43.75784 20.08455 
1 1 1   13  -10   21 o  186.778   10.407  442.703   48.348  431.663   64.262  457.102   73.393  183.182   14.158  187.872   15.790 -4.689651 21.20809 
1 1 1   13  -10   22 o  150.020   17.130  296.135   63.022  329.682   97.225  271.824   82.765  153.467   26.317  140.032   24.564 13.43484 35.99973 
1 1 1   13  -10   23 o  154.378   10.488  304.420   40.191  326.777   50.972  267.674   65.347  159.057   12.945  141.132   19.027 17.92436 23.01287 
1 1 1   13  -10   24 o  242.854   11.109  754.477   67.372  783.537   90.379  718.135  101.071  244.799   14.855  232.267   17.555 12.53171 22.99670 
1 1 1   13  -10   25 o  146.060   11.825  276.641   42.762  311.198   53.728  216.923   70.630  153.771   14.151  122.429   23.960 31.34223 27.82664 
1 1 1   13  -10   26 o   90.479   13.540  109.184   29.652  127.997   34.508   56.086   57.971   97.623   14.604   66.479   25.272 31.14404 29.18830 
1 1 1   13  -10   27 o   77.152   18.279   84.531   34.676   94.284   35.613 -93.4852  152.144   81.731   17.941   65.600   31.563 16.13046 36.30601 
1 1 1   13  -10   28 o  220.754   11.891  638.494   65.307  668.993   83.171  589.452  105.466  222.898   15.030  202.133   21.210 20.76534 25.99559 
1 1 1   13  -10   29 o   75.262   16.126   79.872   29.395   95.814   33.105   20.460   63.909   82.310   16.677   56.644   24.528 25.66628 29.66039 
1 1 1   13  -10   30 o   38.744   15.108   14.922   21.090   12.104   22.432   36.381   61.894   38.112   15.347   58.850   24.764 -20.73851 29.13352 
1 1 1   13  -10   31 o   71.619   25.707   86.654   58.481   9.5042   96.350  131.653   73.585   59.692   27.576   83.942   28.940 -24.24955 39.97480 
1 1 1   13   -9    0 o  191.883   9.5826  461.012   45.917  496.438   66.210  428.186   63.733  198.403   13.443  184.117   13.966 14.28595 19.38442 
1 1 1   13   -9    1 o  388.141   13.348  1891.90  129.373  1930.42  183.694  1853.99  182.237  390.967   18.815  383.094   19.049 7.872986 26.77466 
1 1 1   13   -9    2 o  229.043   14.266  662.113   81.191  610.074  114.482  714.774  115.164  218.364   21.264  236.909   19.644 -18.54549 28.94901 
1 1 1   13   -9    3 o  135.674   13.253  233.486   44.329  237.970   62.966  229.079   62.418  135.872   19.084  133.210   19.328 2.662521 27.16206 
1 1 1   13   -9    4 o  246.186   10.434  760.008   64.146  780.655   91.867  740.364   89.608  248.526   14.871  241.999   14.900 6.526825 21.05146 
1 1 1   13   -9    5 o  465.421   15.418  2732.00  179.197  2795.31  254.180  2669.44  252.674  468.478   21.727  457.649   22.109 10.82867 30.99825 
1 1 1   13   -9    6 o  427.638   14.742  2305.98  157.432  2229.66  223.349  2381.33  221.945  417.690   21.486  432.574   20.546 -14.88416 29.72861 
1 1 1   13   -9    7 o   86.902   11.391   96.480   24.124   97.730   36.554   95.515   32.109   86.316   17.556   85.672   15.583 0.6443329 23.47437 
1 1 1   13   -9    8 o  449.217   15.296  2549.96  171.583  2558.48  243.443  2541.55  241.875  447.230   21.798  445.782   21.728 1.447784 30.77743 
1 1 1   13   -9    9 o  214.002   10.226  575.049   54.649  548.657   78.910  599.375   75.758  207.766   15.317  217.507   14.022 -9.740891 20.76646 
1 1 1   13   -9   10 o  197.604   10.066  491.583   49.507  494.059   71.645  489.321   68.488  197.204   14.653  196.385   14.059 0.8190613 20.30665 
1 1 1   13   -9   11 o  628.272   29.249  5176.49  458.895   0.0000   0.0000  5176.49  458.895  ?   ?   628.272   29.249 0.000000 29.24930 
1 1 1   13   -9   12 o   80.790   26.456   82.593   61.544   82.593   61.544   0.0000   0.0000   80.790   26.456  ?   ?  0.000000 26.45641 
1 1 1   13   -9   13 o   72.361   13.445   68.184   23.401   81.343   34.492   56.960   31.854   78.401   17.998   65.916   18.562 12.48495 25.85522 
1 1 1   13   -9   14 o  438.548   15.001  2436.52  164.277  2331.03  232.659  2541.40  231.988  424.921   22.001  444.887   20.882 -19.96558 30.33331 
1 1 1   13   -9   15 o   85.672   12.439   94.463   25.833   71.841   36.794  116.454   36.278   73.617   19.648   94.542   15.933 -20.92498 25.29661 
1 1 1   13   -9   16 o  218.549   10.114  600.656   55.199  587.065   78.347  614.052   77.783  214.734   14.699  219.762   14.250 -5.027756 20.47280 
1 1 1   13   -9   17 o  316.254   11.651  1261.29   92.014  1210.87  130.087  1311.76  130.168  307.719   16.995  320.611   16.312 -12.89182 23.55653 
1 1 1   13   -9   18 o  174.982   13.909  390.384   60.274  418.671   79.973  353.185   91.709  180.023   18.032  163.418   23.118 16.60451 29.31891 
1 1 1   13   -9   19 o  276.342   11.280  963.618   77.843  978.769  109.189  947.959  111.007  276.659   15.871  272.032   16.418 4.627380 22.83497 
1 1 1   13   -9   20 o  170.941   9.9325  369.365   42.216  304.165   56.528  451.592   63.481  153.842   14.901  188.120   13.605 -34.27824 20.17748 
1 1 1   13   -9   21 o  403.232   14.080  2071.94  141.781  2059.65  198.830  2084.66  202.230  397.457   20.098  399.674   20.329 -2.217316 28.58693 
1 1 1   13   -9   22 o  110.135   11.903  155.731   32.216  168.812   40.140  132.053   54.005  114.021   14.420   98.103   22.521 15.91758 26.74153 
1 1 1   13   -9   23 o  268.512   10.974  915.553   73.586  871.105  100.156  967.690  108.473  259.327   15.538  273.091   15.976 -13.76349 22.28550 
1 1 1   13   -9   24 o  289.430   17.344  1101.55  124.776  1197.59  180.845  1014.29  172.379  294.233   24.845  269.512   25.933 24.72192 35.91391 
1 1 1   13   -9   25 o   73.086   14.309   71.508   25.180   65.066   28.929   91.645   51.146   68.975   16.923   80.243   23.808 -11.26765 29.20938 
1 1 1   13   -9   26 o  225.123   11.394  653.129   63.844  674.612   83.818  623.442   98.534  226.326   14.914  214.513   18.578 11.81337 23.82339 
1 1 1   13   -9   27 o   65.904   15.200   59.574   24.504   59.840   27.479   58.541   54.145   65.639   16.718   66.697   24.617 -1.058052 29.75722 
1 1 1   13   -9   28 o  107.183   15.047  155.284   39.164  176.041   47.247  109.700   70.016  112.921   17.307   83.607   28.241 29.31370 33.12260 
1 1 1   13   -9   29 o  148.629   12.129  290.630   44.624  274.873   52.898  329.519   83.103  142.572   15.087  149.213   23.045 -6.640793 27.54443 
1 1 1   13   -9   30 o  140.213   13.087  262.636   45.292  282.583   54.469  217.942   81.533  143.715   15.418  114.207   28.640 29.50804 32.52650 
1 1 1   13   -9   31 o   78.811   15.637   87.645   29.689   85.658   33.076   95.882   67.348   76.765   17.627   75.738   27.531 1.027191 32.69017 
1 1 1   13   -9   32 f   68.484   27.254   75.967   69.887   0.0000   0.0000   75.967   69.887  ?   ?    68.484   27.254 0.000000 27.25438 
1 1 1   13   -8    0 o  281.747   11.078  994.395   77.945  1020.65  111.073  968.921  109.408  284.551   15.692  277.194   15.872 7.356262 22.31928 
1 1 1   13   -8    1 o  505.420   16.495  3213.94  208.186  3237.88  294.817  3190.13  294.023  505.371   23.361  501.595   23.473 3.776886 33.11706 
1 1 1   13   -8    2 o   97.581   10.757  120.736   25.777  107.335   38.141  132.003   34.972   90.812   17.453  101.553   14.177 -10.74128 22.48565 
1 1 1   13   -8    3 o  245.093   10.289  752.580   62.971  791.307   90.047  715.514   88.094  250.499   14.456  238.085   14.892 12.41357 20.75475 
1 1 1   13   -8    4 o  293.602   15.979  1088.92  116.713  1031.03  164.928  1147.00  165.187  283.755   23.487  299.763   22.226 -16.00839 32.33579 
1 1 1   13   -8    5 o  264.926   15.145  886.636   99.777  867.885  141.226  905.323  140.985  260.450   21.918  266.195   21.390 -5.745728 30.62524 
1 1 1   13   -8    6 o  279.180   15.531  985.585  107.851  983.264  152.855  987.887  152.196  277.023   22.284  277.725   22.129 -0.7022400 31.40508 
1 1 1   13   -8    7 o  275.507   11.169  952.880   76.841  907.993  109.708  996.105  107.660  267.598   16.498  280.590   15.424 -12.99216 22.58507 
1 1 1   13   -8    8 o  323.182   12.177  1313.16   98.272  1301.47  139.824  1324.56  138.147  320.094   17.560  323.044   17.187 -2.949982 24.57078 
1 1 1   13   -8    9 o  104.218   10.375  137.670   26.642  165.979   40.388  115.862   35.449  113.804   14.545   94.566   15.552 19.23759 21.29336 
1 1 1   13   -8   10 o  163.703   9.8698  337.524   40.159  313.362   59.672  357.526   54.293  156.710   15.449  167.973   13.046 -11.26378 20.22089 
1 1 1   13   -8   11 o  521.170   20.053  3466.49  260.983  3431.87  319.424  3536.00  452.638  515.608   24.808  513.663   35.506 1.944702 43.31391 
1 1 1   13   -8   12 o  449.184   15.297  2553.10  171.582  2379.07  243.019  2726.08  242.290  429.631   22.732  461.437   21.027 -31.80643 30.96580 
1 1 1   13   -8   13 o  564.091   18.414  4053.36  259.382  3945.03  367.110  4161.35  366.535  550.515   26.704  566.067   25.930 -15.55206 37.22161 
1 1 1   13   -8   14 o  181.127   14.587  417.578   65.417  382.022   95.461  449.060   89.824  170.782   22.966  186.500   19.579 -15.71745 30.17897 
1 1 1   13   -8   15 o  240.789   10.527  729.039   63.299  648.740   89.923  807.908   89.119  225.551   16.070  252.372   14.199 -26.82104 21.44436 
1 1 1   13   -8   16 o  153.324   9.8060  296.563   37.348  289.595   53.460  303.207   52.199  150.611   14.389  154.298   13.689 -3.686432 19.86084 
1 1 1   13   -8   17 o  529.079   17.072  3565.06  225.553  3463.25  318.968  3666.89  318.994  515.917   24.758  531.486   24.035 -15.56927 34.50549 
1 1 1   13   -8   18 o  246.676   10.394  765.673   64.029  680.935   90.207  851.712   90.897  230.971   15.734  258.958   14.109 -27.98680 21.13340 
1 1 1   13   -8   19 o  265.395   10.597  886.959   70.228  795.130   98.403  982.282  100.258  249.494   15.877  277.908   14.497 -28.41435 21.49952 
1 1 1   13   -8   20 o  138.857   13.473  246.503   46.130  219.081   56.980  298.665   78.587  129.589   18.102  150.494   21.525 -20.90472 28.12451 
1 1 1   13   -8   21 o  294.748   11.832  1098.43   87.086  1072.75  121.507  1125.55  124.879  288.955   16.913  295.976   16.967 -7.020508 23.95655 
1 1 1   13   -8   22 o  148.942   10.316  281.285   38.134  264.592   49.353  306.019   60.074  143.518   13.947  153.837   15.865 -10.31940 21.12412 
1 1 1   13   -8   23 o  213.052   10.780  575.993   57.164  553.568   76.711  603.996   85.722  207.339   14.915  216.137   15.996 -8.797775 21.87091 
1 1 1   13   -8   24 f  306.546   12.380  1198.45   94.771  1211.82  130.895  1183.71  137.394  304.820   17.267  300.387   18.405 4.433441 25.23674 
1 1 1   13   -8   25 o   90.802   19.686  113.159   43.351  112.582   73.102  113.472   53.840   88.809   28.822   89.640   23.694 -0.8308258 37.31056 
1 1 1   13   -8   26 o  127.099   12.827  210.033   40.153  236.645   47.520  143.599   75.081  134.320   14.391   97.961   28.788 36.35887 32.18436 
1 1 1   13   -8   27 o   60.814   15.800   50.564   24.212   56.425   27.393   29.633   51.768   64.019   16.890   57.692   23.285 6.326931 28.76533 
1 1 1   13   -8   28 o   54.008   15.574   39.730   22.161   34.809   24.408   62.821   52.878   51.320   16.654   68.036   24.442 -16.71590 29.57645 
1 1 1   13   -8   29 o  139.162   12.254  253.985   42.149  296.165   51.156  164.827   74.375  149.371   13.873  101.658   28.271 47.71388 31.49166 
1 1 1   13   -8   30 o  153.718   18.327  329.838   68.965  358.441   72.901   86.204  212.764  160.071   18.583   86.333   40.256 73.73781 44.33838 
1 1 1   13   -8   31 o  138.521   12.949  255.902   44.272  280.198   53.080  200.368   80.249  143.449   15.042  109.028   28.978 34.42020 32.64946 
1 1 1   13   -8   32 o  141.736   25.987  323.701   88.587   0.0000   0.0000  323.701   88.587  ?   ?   141.736   25.987 0.000000 25.98660 
1 1 1   13   -8   33 o  136.646   13.919  256.426   46.832  297.385   54.842  146.122   89.998  145.921   15.277   85.325   31.688 60.59603 35.17862 
1 1 1   13   -7    0 o  215.667   9.8597  582.076   53.101  617.753   76.084  548.194   74.145  221.510   13.824  208.548   14.324 12.96194 19.90656 
1 1 1   13   -7    1 o  329.647   11.831  1361.50   97.391  1446.80  138.603  1278.33  136.875  339.283   16.359  318.339   17.283 20.94415 23.79743 
1 1 1   13   -7    2 o  450.835   14.935  2552.61  168.138  2602.40  238.345  2503.29  237.224  453.919   21.027  445.114   21.342 8.804871 29.96032 
1 1 1   13   -7    3 o  171.793   9.6309  370.604   41.150  354.187   59.150  386.002   57.284  167.348   14.291  174.910   13.213 -7.561447 19.46299 
1 1 1   13   -7    4 o  195.982   9.4502  480.857   46.250  553.757   66.806  413.762   64.092  209.692   12.820  180.930   14.302 28.76228 19.20652 
1 1 1   13   -7    5 o  299.875   11.350  1127.50   84.991  1144.69  121.081  1110.81  119.327  301.084   16.163  296.580   16.173 4.504059 22.86520 
1 1 1   13   -7    6 o  269.762   10.810  912.379   72.819  848.272  103.666  974.820  102.311  258.976   16.110  277.957   14.793 -18.98071 21.87130 
1 1 1   13   -7    7 o  200.312   13.502  506.751   67.147  486.859   95.202  526.441   94.719  195.037   19.823  203.105   18.892 -8.068420 27.38310 
1 1 1   13   -7    8 f  162.087   12.967  332.404   52.046  274.802   73.800  389.401   73.411  145.634   20.891  174.743   17.040 -29.10863 26.95939 
1 1 1   13   -7    9 o  300.879   11.697  1137.31   87.888  1074.71  125.188  1198.15  123.415  290.926   17.310  307.566   16.125 -16.63950 23.65676 
1 1 1   13   -7   10 f  108.878   13.757  151.671   36.568   0.0000   0.0000  151.671   36.568  ?   ?   108.878   13.757 0.000000 13.75660 
1 1 1   13   -7   11 o  465.429   18.290  2751.22  212.579  2533.47  260.536  3184.89  367.685  443.574   23.606  492.995   30.009 -49.42090 38.18089 
1 1 1   13   -7   12 o  258.291   10.763  838.189   69.423  828.398   99.062  847.639   97.321  255.450   15.604  258.534   15.140 -3.084122 21.74201 
1 1 1   13   -7   13 o  306.897   11.684  1185.03   89.545  1120.70  127.419  1247.79  125.866  296.636   17.276  313.442   16.135 -16.80588 23.63913 
1 1 1   13   -7   14 o  281.361   11.179  995.666   78.545  912.003  111.660  1077.61  110.508  267.563   16.797  291.423   15.238 -23.86047 22.67899 
1 1 1   13   -7   15 o  167.970   11.395  356.643   47.515  312.983   88.621  374.257   56.289  154.091   23.797  171.729   13.228 -17.63779 27.22667 
1 1 1   13   -7   16 o  175.499   14.520  392.181   63.063  369.163   94.129  410.927   84.945  167.772   23.078  178.357   19.384 -10.58522 30.13892 
1 1 1   13   -7   17 o  260.004   10.618  850.231   68.941  825.870   98.291  873.822   96.723  254.755   15.525  262.286   14.828 -7.530518 21.46824 
1 1 1   13   -7   18 o  302.772   11.545  1154.87   87.288  1130.16  123.441  1179.59  123.446  297.640   16.675  304.239   16.308 -6.598541 23.32388 
1 1 1   13   -7   19 o  230.978   10.879  671.712   62.751  682.431   88.368  660.809   89.123  231.373   15.382  227.539   15.782 3.833771 22.03845 
1 1 1   13   -7   20 o   74.350   13.927   72.211   24.907   66.350   32.077   81.109   39.526   70.705   18.092   77.974   20.153 -7.268921 27.08292 
1 1 1   13   -7   21 o  217.025   10.742  593.548   58.218  584.636   80.814  603.162   83.941  213.889   15.230  217.150   15.583 -3.261444 21.78965 
1 1 1   13   -7   22 o  302.027   16.230  1168.78  121.961  1089.07  165.482  1263.55  180.445  287.704   23.231  309.834   23.497 -22.12918 33.04241 
1 1 1   13   -7   23 o  220.745   10.267  614.908   56.595  534.258   76.244  713.875   84.460  204.005   15.073  236.241   14.385 -32.23631 20.83589 
1 1 1   13   -7   24 o  199.590   10.224  504.812   50.786  445.386   67.033  584.885   77.812  186.029   14.545  213.256   14.701 -27.22725 20.68081 
1 1 1   13   -7   25 o  293.041   12.282  1094.72   89.879  1149.60  123.668  1033.28  130.852  297.283   16.726  280.320   18.802 16.96295 25.16508 
1 1 1   13   -7   26 o  179.634   10.952  412.268   48.893  386.632   63.066  450.891   77.409  172.330   14.798  185.055   16.939 -12.72427 22.49271 
1 1 1   13   -7   27 o  137.566   17.533  253.598   58.861  285.833   90.611  230.065   77.421  140.257   26.849  126.425   25.405 13.83121 36.96260 
1 1 1   13   -7   28 o  104.571   13.402  144.078   34.191  171.308   41.099   82.877   61.615  113.517   14.855   76.557   26.477 36.96005 30.35957 
1 1 1   13   -7   29 o  105.419   13.044  146.712   33.605  161.247   39.743  110.251   62.947  109.726   14.889   85.264   26.639 24.46113 30.51732 
1 1 1   13   -7   30 o   30.773   12.999   2.3389   17.161  -1.1796   18.144   32.195   52.852   30.075   13.046   57.819   23.460 -27.74378 26.84328 
1 1 1   13   -7   31 o  185.898   12.667  455.324   58.453  485.414   72.787  400.672   98.094  189.541   15.514  162.953   24.896 26.58755 29.33447 
1 1 1   13   -7   32 o   56.042   18.144   43.952   28.982   41.980   29.150  213.112  269.961   55.046   18.217   93.516   44.151 -38.47054 47.76172 
1 1 1   13   -7   33 o  144.865   13.278  282.858   47.498  323.877   56.915  188.740   86.212  153.529   15.038  101.137   31.106 52.39183 34.55064 
1 1 1   13   -6    0 o  329.814   11.869  1362.18   97.752  1387.79  138.752  1336.94  137.739  331.995   16.791  325.808   16.988 6.187714 23.88582 
1 1 1   13   -6    1 o  262.323   10.679  861.343   69.954  891.020   99.790  832.667   98.092  266.054   15.082  257.128   15.347 8.926453 21.51719 
1 1 1   13   -6    2 o  315.307   11.615  1245.19   91.456  1306.59  130.058  1185.14  128.631  322.111   16.221  306.628   16.864 15.48315 23.39883 
1 1 1   13   -6    3 o  134.106   9.7177  226.248   32.323  199.476   46.615  251.040   44.858  125.132   15.232  140.926   12.890 -15.79392 19.95388 
1 1 1   13   -6    4 o  373.453   12.984  1749.12  121.090  1795.35  171.997  1703.69  170.509  377.543   18.243  367.248   18.654 10.29486 26.09170 
1 1 1   13   -6    5 o  305.382   11.507  1168.80   87.751  1175.75  124.729  1161.98  123.478  305.264   16.423  303.480   16.354 1.784027 23.17634 
1 1 1   13   -6    6 o   96.865   10.565  118.941   25.142  121.401   37.370  116.906   33.983   96.976   15.989   95.348   14.748 1.628555 21.75219 
1 1 1   13   -6    7 o  293.043   11.084  1076.68   81.108  1105.12  115.646  1049.14  113.784  295.866   15.709  288.221   15.870 7.645203 22.32997 
1 1 1   13   -6    8 o   55.126   14.066   39.682   19.426   30.657   29.820   46.335   25.605   52.398   18.403   59.734   16.579 -7.335533 24.76977 
1 1 1   13   -6    9 o  119.793   13.620  182.793   40.020  138.206   58.574  221.830   54.808  102.110   23.464  131.453   17.101 -29.34222 29.03439 
1 1 1   13   -6   10 o  146.046   18.804  274.680   66.984  274.680   66.984   0.0000   0.0000  146.046   18.804  ?   ?  0.000000 18.80353 
1 1 1   13   -6   11 o  367.754   13.293  1702.74  122.074  1508.01  172.923  1896.19  172.356  343.656   20.239  386.800   17.844 -43.14462 26.98223 
1 1 1   13   -6   12 o  419.825   14.565  2224.17  152.696  2122.82  216.492  2324.51  215.402  407.159   21.367  427.114   20.196 -19.95572 29.40096 
1 1 1   13   -6   13 o   89.598   10.300  102.101   22.626  108.100   33.861   97.261   30.412   91.270   15.405   86.631   14.576 4.639137 21.20761 
1 1 1   13   -6   14 o  184.290   9.6683  427.403   44.339  371.250   63.976  479.303   61.506  170.705   15.166  194.653   12.723 -23.94853 19.79620 
1 1 1   13   -6   15 o  246.471   10.456  763.262   64.356  634.872   91.403  889.489   90.629  223.165   16.519  265.128   13.736 -41.96240 21.48359 
1 1 1   13   -6   16 o  141.728   9.2923  253.157   32.705  196.853   46.824  306.791   45.701  123.759   15.490  155.662   11.846 -31.90327 19.50066 
1 1 1   13   -6   17 o   93.835   13.673  113.447   31.097   90.544   62.190  121.082   35.908   83.696   26.524   96.630   15.398 -12.93449 30.66929 
1 1 1   13   -6   18 o  271.958   16.356  942.385  110.561  931.184  161.001  952.380  152.094  267.092   24.409  270.926   22.690 -3.833679 33.32571 
1 1 1   13   -6   19 o  301.943   11.463  1148.25   86.431  1081.91  122.070  1214.95  122.395  291.173   16.861  308.964   15.918 -17.79132 23.18739 
1 1 1   13   -6   20 o  267.402   11.149  900.519   74.447  901.625  104.951  899.399  105.620  265.948   15.875  265.576   16.001 0.3722534 22.53996 
1 1 1   13   -6   21 o  256.138   11.132  826.638   71.200  754.970   99.539  901.726  101.886  242.943   16.505  265.998   15.405 -23.05476 22.57697 
1 1 1   13   -6   22 o   45.870   15.302   25.367   20.554   18.515   24.271   42.745   38.652   43.792   16.418   60.284   20.964 -16.49186 26.62755 
1 1 1   13   -6   23 o  175.925   13.597  394.968   59.271  339.499   72.487  506.870  102.957  161.587   18.286  196.563   21.317 -34.97559 28.08512 
1 1 1   13   -6   24 o  257.495   15.287  850.157   97.855  781.725  126.923  950.446  153.652  244.041   21.032  267.876   23.199 -23.83446 31.31368 
1 1 1   13   -6   25 o  221.862   11.920  626.646   65.796  708.756   89.612  530.607   96.915  234.523   15.387  200.815   19.575 33.70757 24.89839 
1 1 1   13   -6   26 o  141.027   11.286  254.268   39.412  247.204   49.545  266.442   65.038  137.967   14.603  141.549   18.870 -3.581879 23.85995 
1 1 1   13   -6   27 o   41.415   14.596   19.786   18.772   12.622   20.460   57.899   47.192   38.362   14.902   67.092   23.174 -28.72945 27.55165 
1 1 1   13   -6   28 o  290.146   12.523  1083.30   90.733  1132.05  122.548  1024.16  134.983  292.712   16.836  275.555   19.747 17.15692 25.95039 
1 1 1   13   -6   29 o  170.856   16.647  390.279   70.126  452.082  107.468  344.450   92.542  177.162   24.985  154.498   24.827 22.66425 35.22305 
1 1 1   13   -6   30 o   45.836   15.290   26.825   20.522   31.891   22.202  -2.9020   53.781   49.250   15.874   49.834   22.014 -0.5849342 27.13996 
1 1 1   13   -6   31 o  146.053   12.071  279.025   43.631  273.915   52.742  290.103   77.661  142.976   14.995  141.318   22.781 1.657852 27.27341 
1 1 1   13   -6   32 o   69.814   17.177   68.926   29.741   65.063   29.988  301.085  232.456   67.685   17.583  107.200   46.598 -39.51489 49.80534 
1 1 1   13   -6   33 o  117.968   18.183  197.272   51.844  202.088   52.765   62.845  278.758  119.341   18.288   84.829   41.267 34.51220 45.13827 
1 1 1   13   -6   34 o   68.461   17.210   67.968   29.391   59.546   32.504  105.726   68.823   63.502   19.011   78.751   27.927 -15.24965 33.78394 
1 1 1   13   -5    0 o  363.619   14.567  1657.46  132.271  1572.00  229.697  1699.87  161.789  351.588   26.354  367.904   17.610 -16.31610 31.69608 
1 1 1   13   -5    1 o  175.136   9.6102  384.820   41.870  410.581   60.189  360.666   58.282  180.524   13.448  169.070   13.928 11.45377 19.36098 
1 1 1   13   -5    2 o  494.873   16.124  3074.19  199.253  3096.50  282.032  3051.97  281.541  495.346   22.800  491.742   22.927 3.604095 32.33435 
1 1 1   13   -5    3 o  401.857   13.683  2024.58  137.310  2106.13  194.798  1944.06  193.580  409.086   19.069  392.420   19.818 16.66550 27.50232 
1 1 1   13   -5    4 o  300.129   11.295  1128.05   84.657  1103.86  120.327  1151.76  119.129  295.971   16.344  302.428   15.829 -6.457458 22.75252 
1 1 1   13   -5    5 o  125.258   9.7278  197.540   30.189  173.185   43.763  219.654   41.700  116.426   15.433  131.745   12.838 -15.31908 20.07438 
1 1 1   13   -5    6 f  258.938   10.546  839.701   68.193  845.396   97.122  834.162   95.772  258.974   15.083  257.260   14.973 1.714386 21.25278 
1 1 1   13   -5    7 o  304.619   11.356  1163.04   86.382  1213.04  123.166  1114.64  121.182  310.120   15.958  297.158   16.394 12.96216 22.87859 
1 1 1   13   -5    8 o  164.149   9.4041  338.499   38.388  323.141   55.675  352.418   53.002  159.746   14.101  167.075   12.801 -7.328445 19.04492 
1 1 1   13   -5    9 o  301.944   13.269  1145.54  100.047  1190.32  176.783  1124.44  121.349  304.935   23.394  298.229   16.357 6.705811 28.54513 
1 1 1   13   -5   10 o  197.383   9.5836  488.212   47.238  506.772   68.403  471.292   65.312  200.255   13.762  193.107   13.632 7.148026 19.37051 
1 1 1   13   -5   11 o  181.570   13.104  416.776   59.017  409.637   84.139  423.690   82.803  178.755   19.147  181.985   18.477 -3.230560 26.60808 
1 1 1   13   -5   12 o  263.183   14.939  876.516   97.778  880.464  138.565  872.600  137.996  261.974   21.367  260.792   21.377 1.181976 30.22491 
1 1 1   13   -5   13 o  278.817   11.284  976.761   78.564  902.449  112.054  1048.61  110.181  266.446   16.929  287.720   15.391 -21.27393 22.87940 
1 1 1   13   -5   14 o  145.349   9.4982  266.134   34.285  245.788   50.442  283.605   46.742  138.758   14.785  149.572   12.633 -10.81349 19.44693 
1 1 1   13   -5   15 o   79.402   11.212   80.793   21.613   67.712   32.136   91.597   29.206   71.634   17.990   84.027   14.439 -12.39257 23.06754 
1 1 1   13   -5   16 o   46.244   14.229   26.995   18.037   33.800   26.465   21.093   24.647   52.699   17.353   45.388   16.631 7.311146 24.03602 
1 1 1   13   -5   17 o  209.033   9.8847  548.698   51.597  448.316   73.277  647.416   72.666  187.483   15.799  226.246   12.915 -38.76315 20.40596 
1 1 1   13   -5   18 o  246.061   10.551  761.064   64.829  635.619   91.689  886.471   91.675  223.194   16.569  264.551   13.926 -41.35686 21.64386 
1 1 1   13   -5   19 o  226.476   12.303  648.342   69.317  616.746  125.977  662.062   83.013  217.355   23.588  228.293   14.639 -10.93825 27.76154 
1 1 1   13   -5   20 o  299.441   17.000  1144.14  126.595  1110.17  181.664  1176.22  176.513  291.232   25.228  300.623   23.705 -9.391113 34.61794 
1 1 1   13   -5   21 o  295.264   11.078  1097.73   81.683  970.324  114.774  1228.48  116.275  275.644   16.754  311.284   14.958 -35.64050 22.45957 
1 1 1   13   -5   22 o  135.436   9.7982  231.807   32.914  177.855   43.616  303.178   50.165  117.431   15.232  154.318   13.143 -36.88707 20.11840 
1 1 1   13   -5   23 o  298.000   11.589  1120.58   86.238  1080.28  120.622  1162.72  123.342  290.506   16.697  301.530   16.443 -11.02469 23.43430 
1 1 1   13   -5   24 o  162.633   9.7988  334.224   39.609  283.673   51.608  406.683   61.788  148.810   14.054  178.423   13.980 -29.61258 19.82306 
1 1 1   13   -5   25 o  127.587   13.925  209.553   43.646  171.865   49.052  352.827   95.640  114.287   17.764  161.791   24.433 -47.50382 30.20838 
1 1 1   13   -5   26 o  258.966   11.277  850.088   72.927  823.179   98.811  882.282  108.079  252.601   15.743  261.042   16.667 -8.441284 22.92653 
1 1 1   13   -5   27 o  212.450   11.122  574.881   58.803  563.190   77.703  590.548   89.954  208.596   15.018  212.535   17.093 -3.939423 22.75325 
1 1 1   13   -5   28 o  191.340   11.178  468.155   53.175  484.149   68.935  444.655   83.560  193.116   14.398  182.742   18.569 10.37444 23.49694 
1 1 1   13   -5   29 o  147.757   11.727  281.587   42.913  278.872   53.410  286.533   72.081  145.637   14.896  144.513   20.553 1.123734 25.38315 
1 1 1   13   -5   30 o  165.938   15.976  366.509   65.385  438.392  106.786  323.395   82.700  174.084   25.305  151.310   22.578 22.77473 33.91348 
1 1 1   13   -5   31 o  174.964   23.580  441.014  100.402   0.0000   0.0000  441.014  100.402  ?   ?   174.964   23.580 0.000000 23.58018 
1 1 1   13   -5   32 o   92.258   14.198  114.471   31.661  115.263   35.414  111.319   70.674   91.717   16.047   84.400   28.375 7.316376 32.59786 
1 1 1   13   -5   33 o   97.119   14.233  127.451   33.493  132.963   38.442  110.082   68.238   98.158   16.252   83.031   27.881 15.12651 32.27219 
1 1 1   13   -5   34 o  119.220   13.771  191.620   40.243  209.222   47.118  144.161   77.369  123.364   15.647   91.401   29.650 31.96284 33.52544 
1 1 1   13   -5   35 o  147.193   19.251  314.988   69.066  314.988   69.066   0.0000   0.0000  147.193   19.251  ?   ?  0.000000 19.25118 
1 1 1   13   -4    0 o  693.927   29.843  6103.93  517.142  6902.04  734.149  5317.88  728.581  732.382   40.297  639.724   45.913 92.65771 61.08848 
1 1 1   13   -4    1 o  391.571   19.063  1926.80  186.398  2003.87  265.393  1851.76  261.856  397.188   26.916  381.560   27.670 15.62711 38.60208 
1 1 1   13   -4    2 o  461.903   21.387  2686.61  246.689  2910.32  350.851  2467.88  346.926  478.056   29.534  439.369   31.836 38.68750 43.42541 
1 1 1   13   -4    3 o  378.819   18.739  1804.12  177.268  1830.19  252.624  1778.84  248.808  379.275   26.846  373.896   26.826 5.378815 37.95222 
1 1 1   13   -4    4 o  445.758   21.116  2504.06  235.048  2562.36  333.967  2446.84  330.870  447.861   30.035  437.458   30.478 10.40213 42.79081 
1 1 1   13   -4    5 o  372.982   12.942  1743.50  120.538  1800.53  171.104  1687.31  169.838  378.356   18.110  365.721   18.659 12.63504 26.00197 
1 1 1   13   -4    6 o  204.993   9.6542  525.869   49.421  519.564   70.904  531.826   68.921  203.024   14.072  205.492   13.506 -2.467987 19.50487 
1 1 1   13   -4    7 o  442.026   14.583  2453.28  160.965  2519.73  228.233  2387.51  227.050  446.767   20.457  434.781   20.912 11.98654 29.25442 
1 1 1   13   -4    8 o  443.816   21.019  2490.77  232.954   0.0000   0.0000  2490.77  232.954  ?   ?   443.816   21.019 0.000000 21.01919 
1 1 1   13   -4    9 o  369.998   18.443  1727.82  170.407  1727.82  170.407   0.0000   0.0000  369.998   18.443  ?   ?  0.000000 18.44325 
1 1 1   13   -4   10 o  301.506   11.299  1140.14   85.069  1127.07  120.967  1152.94  119.654  298.624   16.283  302.122   15.916 -3.497864 22.76957 
1 1 1   13   -4   11 o  253.414   10.265  805.102   64.958  798.263   93.035  811.607   90.737  251.344   14.889  253.541   14.391 -2.197556 20.70680 
1 1 1   13   -4   12 o  122.580   9.4300  189.420   28.644  180.222   42.424  197.125   38.831  118.736   14.617  124.598   12.656 -5.862862 19.33442 
1 1 1   13   -4   13 o  385.572   13.514  1871.76  130.115  1841.35  185.007  1901.53  183.029  380.231   19.551  387.081   18.935 -6.849670 27.21703 
1 1 1   13   -4   14 o  282.128   15.528  1008.49  108.978  974.532  154.432  1042.17  153.806  275.069   22.685  284.843   21.788 -9.773712 31.45365 
1 1 1   13   -4   15 o  166.633   9.7590  349.565   40.431  295.804   58.519  398.667   55.926  152.198   15.619  177.509   12.700 -25.31161 20.13054 
1 1 1   13   -4   16 o  176.111   9.4739  390.235   41.511  322.555   59.780  453.260   57.688  159.035   15.239  189.378   12.264 -30.34254 19.56133 
1 1 1   13   -4   17 o  253.409   10.387  806.638   65.732  666.691   93.318  944.453   92.605  228.786   16.443  273.627   13.553 -44.84125 21.30872 
1 1 1   13   -4   18 o  131.234   9.4098  217.234   30.633  153.043   43.727  279.096   42.926  108.653   16.646  148.475   11.672 -39.82263 20.33048 
1 1 1   13   -4   19 o  220.677   9.8603  611.576   54.337  518.798   77.033  703.451   76.657  201.852   15.399  235.808   13.069 -33.95557 20.19695 
1 1 1   13   -4   20 o  111.847   9.7773  158.297   27.034  100.561   37.056  223.984   39.526   87.417   17.584  132.810   12.049 -45.39235 21.31648 
1 1 1   13   -4   21 o  177.972   14.967  403.906   65.900  391.743   97.864  413.997   89.140  172.745   23.279  178.658   20.343 -5.913681 30.91534 
1 1 1   13   -4   22 o  136.278   11.164  235.375   37.658  186.542   44.851  352.049   69.328  120.366   15.265  165.471   17.021 -45.10546 22.86294 
1 1 1   13   -4   23 o  252.988   10.298  805.278   65.056  712.485   90.489  904.550   93.595  236.376   15.414  266.887   14.094 -30.51106 20.88618 
1 1 1   13   -4   24 o  214.468   9.5235  578.432   51.004  485.773   69.070  689.557   75.640  195.183   14.270  233.089   13.047 -37.90594 19.33549 
1 1 1   13   -4   25 f  282.848   11.179  1010.01   78.961  902.665  108.542  1130.68  115.079  265.221   16.470  297.364   15.551 -32.14255 22.65179 
1 1 1   13   -4   26 o  348.481   12.363  1540.20  107.588  1404.57  149.151  1687.32  155.343  329.360   18.205  362.138   17.178 -32.77786 25.02997 
1 1 1   13   -4   27 o  305.595   16.267  1206.63  123.689  1057.64  161.470  1418.19  192.416  281.211   23.201  325.252   23.857 -44.04144 33.27796 
1 1 1   13   -4   28 o  131.221   11.147  220.321   36.182  195.227   44.431  269.723   62.341  122.309   14.852  142.778   17.877 -20.46937 23.24112 
1 1 1   13   -4   29 o  151.423   11.530  294.341   43.270  298.435   54.701  287.496   70.729  151.223   14.670  145.813   19.948 5.409653 24.76101 
1 1 1   13   -4   30 o   95.842   13.929  121.299   32.361  154.179   38.447   41.402   59.933  107.978   14.636   63.955   25.306 44.02274 29.23361 
1 1 1   13   -4   31 o   60.379   16.195   49.934   24.922   66.422   28.046 -11.9489   54.335   69.526   16.417   48.509   21.732 21.01681 27.23608 
1 1 1   13   -4   32 o   86.677   23.373  110.744   51.746   87.811   85.203  124.146   65.135   79.168   30.506   90.069   26.900 -10.90055 40.67204 
1 1 1   13   -4   33 o  117.771   12.746  182.988   36.886  179.527   43.391  192.007   70.037  115.228   15.470  112.363   25.540 2.865555 29.85987 
1 1 1   13   -4   34 o  138.580   12.772  254.140   43.700  272.099   52.230  212.227   79.789  141.985   14.956  114.808   28.066 27.17647 31.80232 
1 1 1   13   -4   35 o   58.654   17.158   48.929   26.726   37.589   29.242  106.452   65.859   52.805   18.242   80.580   27.389 -27.77497 32.90805 
1 1 1   13   -4   36 o  118.311   19.319  205.051   55.106  205.051   55.106   0.0000   0.0000  118.311   19.319  ?   ?  0.000000 19.31880 
1 1 1   13   -3    0 o  249.593   10.287  779.130   64.118  821.073   91.166  738.077   90.194  255.623   14.340  242.243   14.984 13.38028 20.73972 
1 1 1   13   -3    1 o  398.185   13.701  1985.72  136.233  1878.76  192.770  2092.44  192.554  386.129   20.061  408.185   18.891 -22.05521 27.55547 
1 1 1   13   -3    2 o  260.814   10.363  850.893   67.496  856.878   95.873  845.011   95.041  261.073   14.766  259.255   14.741 1.817505 20.86480 
1 1 1   13   -3    3 o  245.382   10.320  753.235   63.237  784.415   90.153  723.035   88.725  249.760   14.517  239.709   14.896 10.05045 20.79985 
1 1 1   13   -3    4 o  265.028   14.830  883.383   97.756  1019.24  141.292  758.635  135.393  283.940   20.056  244.331   22.441 39.60834 30.09739 
1 1 1   13   -3    5 f  443.174   21.002  2474.17  232.425  2531.62  330.337  2417.83  327.083  445.334   29.878  435.033   30.297 10.30124 42.55108 
1 1 1   13   -3    6 o  628.504   28.400  5018.72  445.729  4783.90  630.809  5252.87  629.904  606.217   41.927  636.607   39.824 -30.39008 57.82568 
1 1 1   13   -3    7 o  175.317   13.838  387.870   60.089  373.376   88.167  400.442   82.112  170.773   21.125  177.372   18.826 -6.599380 28.29655 
1 1 1   13   -3    8 o  414.379   13.778  2154.46  142.571  2309.29  202.559  2002.44  200.706  428.081   18.948  397.865   20.268 30.21564 27.74604 
1 1 1   13   -3    9 o  119.248   9.6419  179.175   28.466  172.191   41.141  185.590   39.429  116.205   14.492  120.900   13.279 -4.694557 19.65585 
1 1 1   13   -3   10 o  629.162   19.861  5003.68  312.049  4981.90  441.629  5025.40  440.981  623.848   28.348  626.657   28.180 -2.808655 39.97171 
1 1 1   13   -3   11 o  122.556   9.1636  189.129   27.842  205.056   41.350  175.920   37.657  127.092   13.222  117.643   13.038 9.448868 18.56905 
1 1 1   13   -3   12 o  140.195   9.0941  247.212   31.666  225.506   46.656  265.751   43.118  133.130   14.256  144.999   12.016 -11.86960 18.64452 
1 1 1   13   -3   13 o  108.603   9.6993  149.013   26.028  146.112   38.844  151.377   35.064  106.659   14.998  108.939   13.156 -2.279961 19.95030 
1 1 1   13   -3   14 o  217.094   9.9886  591.133   54.151  546.600   77.737  633.111   75.474  207.624   15.097  223.843   13.566 -16.21927 20.29665 
1 1 1   13   -3   15 o  176.567   9.5857  392.133   42.107  356.166   61.226  424.411   58.001  167.373   14.801  183.210   12.757 -15.83725 19.54018 
1 1 1   13   -3   16 o  135.702   12.617  233.743   42.265  210.014   60.099  256.962   59.450  127.067   19.568  141.403   17.190 -14.33631 26.04602 
1 1 1   13   -3   17 o   96.801   10.312  118.973   24.544  122.755   36.004  115.690   33.548   97.416   15.305   94.642   14.670 2.773415 21.20002 
1 1 1   13   -3   18 o  197.789   9.5414  490.922   47.126  355.485   67.151  622.367   66.154  166.741   16.337  222.064   11.974 -55.32344 20.25524 
1 1 1   13   -3   19 o  149.936   9.5880  283.305   35.711  249.196   50.970  316.192   50.049  139.636   14.845  157.889   12.804 -18.25305 19.60400 
1 1 1   13   -3   20 o  146.446   9.4726  270.306   34.456  214.885   48.684  325.927   48.772  129.418   15.364  160.397   12.270 -30.97884 19.66216 
1 1 1   13   -3   21 o   61.024   13.695   48.861   20.357   33.527   26.746   69.978   31.386   52.601   17.451   72.760   17.490 -20.15889 24.70723 
1 1 1   13   -3   22 o  135.719   9.8511  232.612   33.159  184.599   45.140  288.888   48.870  119.733   15.458  150.728   13.114 -30.99550 20.27196 
1 1 1   13   -3   23 o  226.094   15.760  651.963   88.422  536.918  128.887  754.256  121.534  201.271   26.270  241.643   20.329 -40.37187 33.21738 
1 1 1   13   -3   24 o   98.822   11.375  124.653   27.560  105.415   34.541  158.356   45.718   89.781   15.993  110.227   17.168 -20.44550 23.46314 
1 1 1   13   -3   25 o   83.431   13.021   90.094   26.243  100.951   32.065   68.071   45.671   87.936   15.149   72.456   22.699 15.48006 27.28997 
1 1 1   13   -3   26 o  234.841   9.9999  694.814   58.643  558.135   78.906  863.468   87.651  208.728   15.244  260.501   13.521 -51.77292 20.37582 
1 1 1   13   -3   27 o  103.070   12.560  136.733   31.658  147.458   39.197  116.611   53.691  106.397   15.183   92.298   23.294 14.09913 27.80517 
1 1 1   13   -3   28 o  165.919   10.977  350.338   45.224  342.944   58.485  361.333   71.320  163.009   14.520  166.188   17.446 -3.178665 22.69752 
1 1 1   13   -3   29 o  129.402   14.546  218.022   46.189  188.421   49.854  397.430  122.734  119.191   17.251  165.460   30.839 -46.26826 35.33634 
1 1 1   13   -3   30 o  153.949   11.113  303.763   42.436  274.794   53.075  355.106   70.657  144.904   14.879  163.498   17.582 -18.59396 23.03271 
1 1 1   13   -3   31 o  163.686   13.399  348.834   54.288  353.462   57.476  310.552  165.311  164.397   14.138  130.123   43.396 34.27420 45.64120 
1 1 1   13   -3   32 o   74.836   14.397   75.436   25.928   74.135   29.308   80.121   55.615   73.500   16.386   75.051   25.171 -1.551056 30.03473 
1 1 1   13   -3   33 o   77.386   14.823   81.241   27.602   60.322   31.242  155.644   58.920   65.628   18.349  102.958   23.442 -37.33046 29.76922 
1 1 1   13   -3   34 o  139.058   18.981  269.711   64.192  360.509  105.179  215.818   81.033  151.629   28.832  117.034   28.085 34.59428 40.24945 
1 1 1   13   -3   35 o  102.243   13.860  140.691   34.476  118.407   39.575  210.850   70.219   91.489   17.963  117.393   24.734 -25.90405 30.56842 
1 1 1   13   -3   36 o  165.934   12.473  365.434   51.304  349.224   60.954  404.819   95.012  159.695   15.479  162.581   24.135 -2.886780 28.67229 
1 1 1   13   -2    0 o  412.683   13.437  2132.16  138.470  2194.52  196.257  2070.34  195.399  418.139   18.795  406.082   19.269 12.05753 26.91765 
1 1 1   13   -2    1 o  497.571   16.288  3103.72  202.379  3089.84  286.387  3117.56  286.028  495.443   23.148  497.683   23.015 -2.240326 32.64191 
1 1 1   13   -2    2 o  380.991   12.947  1817.17  123.176  1862.44  174.804  1772.52  173.598  385.216   18.172  375.767   18.500 9.449402 25.93198 
1 1 1   13   -2    3 f  707.744   22.016  6303.98  389.101  6397.49  550.593  6210.68  549.953  710.210   31.045  699.611   31.479 10.59918 44.21213 
1 1 1   13   -2    4 o  418.000   14.055  2189.05  146.705  2216.03  207.813  2162.24  207.135  419.861   19.821  414.708   20.001 5.153442 28.15864 
1 1 1   13   -2    5 o  457.115   15.070  2619.92  172.024  2659.61  243.667  2580.49  242.893  459.620   21.230  452.686   21.487 6.933716 30.20559 
1 1 1   13   -2    6 o  539.897   17.361  3661.21  234.064  3561.26  331.202  3760.95  330.831  530.793   24.987  545.657   24.279 -14.86426 34.84026 
1 1 1   13   -2    7 o  388.122   19.061  1895.46  184.738   0.0000   0.0000  1895.46  184.738  ?   ?   388.122   19.061 0.000000 19.06060 
1 1 1   13   -2    8 o  566.299   37.569  4151.95  528.262  4151.95  528.262   0.0000   0.0000  566.299   37.569  ?   ?  0.000000 37.56865 
1 1 1   13   -2    9 o  290.998   16.177  1067.59  117.087  1008.05  167.351  1124.69  163.877  281.081   24.074  297.460   22.222 -16.37897 32.76279 
1 1 1   13   -2   10 o  325.392   13.612  1328.91  110.603  1346.74  135.986  1294.06  190.107  326.719   16.723  318.481   24.082 8.237915 29.31890 
1 1 1   13   -2   11 o  224.034   9.8264  628.574   54.974  620.903   78.605  635.918   76.913  221.844   14.265  224.597   13.780 -2.753601 19.83350 
1 1 1   13   -2   12 o  189.445   9.2659  449.447   43.835  446.180   63.266  452.464   60.792  187.956   13.570  189.380   12.932 -1.423828 18.74542 
1 1 1   13   -2   13 o  411.501   13.835  2129.81  142.165  2118.24  201.713  2141.23  200.397  408.836   19.758  411.121   19.520 -2.285400 27.77368 
1 1 1   13   -2   14 o  197.474   9.5228  488.758   46.960  456.233   67.816  518.720   65.090  189.792   14.417  202.710   12.926 -12.91747 19.36271 
1 1 1   13   -2   15 o  135.055   9.1953  229.666   30.827  179.984   45.425  272.083   41.972  118.391   15.756  146.727   11.549 -28.33655 19.53499 
1 1 1   13   -2   16 o  177.333   9.5860  395.528   42.293  379.326   61.186  410.350   58.524  172.872   14.302  180.075   13.104 -7.203247 19.39776 
1 1 1   13   -2   17 f  127.113   9.5594  203.809   30.122  150.891   44.148  249.898   41.201  107.904   16.942  140.482   11.855 -32.57773 20.67820 
1 1 1   13   -2   18 o  134.048   12.460  228.104   41.231  165.301   57.923  292.609   58.703  111.931   21.504  151.304   15.768 -39.37316 26.66609 
1 1 1   13   -2   19 o  331.308   12.172  1381.70  100.707  1153.55  142.481  1609.47  142.361  300.383   19.094  356.528   15.990 -56.14532 24.90481 
1 1 1   13   -2   20 o  167.635   9.6244  353.867   40.120  343.727   57.324  363.602   56.171  164.409   14.099  169.274   13.398 -4.864883 19.44938 
1 1 1   13   -2   21 o  127.095   9.5503  203.891   30.089  178.773   42.594  228.911   42.511  118.021   14.776  134.158   12.846 -16.13699 19.57962 
1 1 1   13   -2   22 o  179.050   9.2420  403.424   41.182  304.713   57.479  507.543   59.032  154.446   15.096  200.420   11.848 -45.97418 19.19022 
1 1 1   13   -2   23 o   98.749   11.378  124.343   27.545  112.802   37.131  138.465   41.074   92.900   16.615  103.198   16.494 -10.29745 23.41210 
1 1 1   13   -2   24 f  245.740   10.374  759.476   63.659  683.533   88.902  839.389   91.196  231.623   15.459  257.144   14.258 -25.52060 21.03010 
1 1 1   13   -2   25 o   90.235   20.260  108.611   44.533   96.369   73.470  115.722   55.992   86.801   28.930   92.636   24.008 -5.834381 37.59393 
1 1 1   13   -2   26 o  258.571   10.810  842.673   69.798  784.559   95.790  908.455  101.913  247.801   15.559  266.790   15.362 -18.98984 21.86471 
1 1 1   13   -2   27 o  462.193   14.814  2721.35  170.980  2536.21  239.650  2913.29  244.015  441.154   21.754  473.819   20.623 -32.66486 29.97571 
1 1 1   13   -2   28 o  236.900   10.725  709.495   63.447  634.071   85.355  802.631   94.849  221.972   15.496  249.960   15.269 -27.98802 21.75431 
1 1 1   13   -2   29 o  113.905   11.809  166.564   33.103  132.096   40.576  235.159   57.241   99.819   16.880  133.601   17.585 -33.78225 24.37531 
1 1 1   13   -2   30 o   96.147   36.737  123.841  122.892   0.0000   0.0000  123.841  122.892  ?   ?    96.147   36.737 0.000000 36.73738 
1 1 1   13   -2   31 o  207.482   15.194  562.446   78.176  562.446   78.176   0.0000   0.0000  207.482   15.194  ?   ?  0.000000 15.19405 
1 1 1   13   -2   32 o   63.541   15.268   54.841   23.925   53.707   26.599   59.644   54.745   62.668   16.696   68.248   24.820 -5.580101 29.91289 
1 1 1   13   -2   33 o   42.254   15.010   20.944   19.890   17.198   21.507   43.089   52.286   40.931   15.433   61.783   23.872 -20.85279 28.42604 
1 1 1   13   -2   34 o   99.703   13.049  131.503   31.710  122.147   36.536  160.068   63.841   94.736   16.014  103.357   25.006 -8.620544 29.69479 
1 1 1   13   -2   35 f   58.153   22.830   37.676   48.423   13.206   85.467   49.245   58.765   62.592   27.695   64.051   25.149 -1.458576 37.40959 
1 1 1   13   -2   36 o   95.211   15.604  124.711   35.814  148.901   41.382   52.529   71.484  103.645   16.545   66.425   27.156 37.21967 31.79964 
1 1 1   13   -2   37 o   75.839   17.353   82.618   32.152   85.220   36.323   73.199   69.110   76.089   19.135   70.147   27.349 5.942764 33.37854 
1 1 1   13   -1    0 o  192.484   9.4936  463.197   45.632  451.684   64.956  474.415   64.120  189.440   13.826  194.229   13.300 -4.789154 19.18484 
1 1 1   13   -1    1 o  259.883   10.046  844.524   65.198  889.931   92.861  800.382   91.559  266.228   14.017  252.378   14.590 13.84988 20.23245 
1 1 1   13   -1    2 o  406.260   13.195  2066.10  133.865  2139.87  189.776  1993.05  188.856  412.945   18.403  398.463   18.980 14.48172 26.43707 
1 1 1   13   -1    3 o  664.100   20.604  5542.61  341.685  5598.52  483.540  5486.85  482.892  665.295   29.105  658.552   29.364 6.743591 41.34395 
1 1 1   13   -1    4 o  430.474   14.391  2321.46  154.699  2274.64  218.984  2368.09  218.571  425.369   20.616  434.083   20.164 -8.713959 28.83708 
1 1 1   13   -1    5 o  286.012   11.135  1023.54   79.529  1000.00  112.868  1046.75  112.078  281.927   16.099  288.526   15.614 -6.599365 22.42658 
1 1 1   13   -1    6 o  363.070   12.773  1650.78  115.806  1677.19  164.516  1624.84  163.042  365.426   18.028  359.200   18.236 6.225677 25.64355 
1 1 1   13   -1    7 o  204.355   9.6395  522.373   49.192  505.567   69.862  538.899   69.277  200.350   14.053  206.949   13.479 -6.598495 19.47193 
1 1 1   13   -1    8 o   93.244   10.253  110.106   23.479  102.446   34.339  116.832   32.176   88.997   16.041   95.552   13.892 -6.554810 21.22024 
1 1 1   13   -1    9 o  263.880   10.638  871.715   70.101  813.956   99.641  928.320   98.641  254.108   15.781  271.613   14.597 -17.50490 21.49615 
1 1 1   13   -1   10 o  267.994   12.317  900.224   82.428  961.757  145.905  871.379   99.896  275.130   21.405  262.956   15.279 12.17346 26.29858 
1 1 1   13   -1   11 o   84.349   16.182   92.452   32.846   99.039   52.963   88.334   41.870   86.971   23.727   82.035   20.497 4.935486 31.35486 
1 1 1   13   -1   12 o  184.240   13.413  428.447   61.287  485.038   90.440  380.391   83.341  195.143   18.791  172.413   19.711 22.73013 27.23310 
1 1 1   13   -1   13 o  208.938   9.5403  546.812   49.777  557.950   71.609  536.399   69.242  210.262   13.713  206.175   13.524 4.086441 19.25989 
1 1 1   13   -1   14 o  364.258   12.686  1666.99  115.397  1642.74  163.881  1690.85  162.519  359.953   18.292  365.762   17.793 -5.808990 25.51858 
1 1 1   13   -1   15 o  125.053   9.2215  197.015   28.594  229.705   43.124  171.367   38.198  134.543   12.997  115.951   13.441 18.59174 18.69743 
1 1 1   13   -1   16 o  258.193   10.655  836.670   68.700  775.005   98.191  895.802   96.153  247.202   15.992  266.189   14.520 -18.98763 21.60037 
1 1 1   13   -1   17 f  174.555   9.4797  383.207   41.167  344.528   59.753  418.154   56.797  164.622   14.689  181.883   12.582 -17.26111 19.34150 
1 1 1   13   -1   18 o  201.484   9.6094  509.251   48.349  475.837   69.802  540.068   67.034  193.654   14.540  206.684   13.055 -13.02998 19.54108 
1 1 1   13   -1   19 o  310.811   11.741  1214.97   91.126  1069.18  129.464  1358.12  128.288  289.633   17.989  327.685   15.678 -38.05249 23.86180 
1 1 1   13   -1   20 o   92.753   13.730  110.797   30.840  139.703   42.091   77.292   45.315  103.711   16.829   76.805   22.306 26.90578 27.94245 
1 1 1   13   -1   21 o  263.588   10.636  873.040   70.009  739.026   99.067  1006.73   98.949  240.886   16.570  282.390   14.032 -41.50432 21.71285 
1 1 1   13   -1   22 f  178.160   9.1199  399.265   40.438  301.660   56.949  498.528   57.431  153.723   15.028  198.705   11.625 -44.98212 18.99902 
1 1 1   13   -1   23 o   54.703   14.477   39.183   20.084   34.622   25.950   45.996   31.715   52.965   17.171   60.284   18.921 -7.319054 25.55055 
1 1 1   13   -1   24 f  220.035   10.330  608.631   56.759  573.703   79.507  644.932   81.055  212.304   15.095  225.322   14.482 -13.01834 20.91873 
1 1 1   13   -1   25 o  181.189   10.122  414.007   45.615  349.864   62.652  486.365   66.543  165.406   15.343  195.664   13.705 -30.25743 20.57271 
1 1 1   13   -1   26 o  123.347   14.958  195.766   45.133  174.827   83.046  204.543   53.765  112.751   29.247  125.419   17.656 -12.66798 34.16251 
1 1 1   13   -1   27 o  281.247   17.047  1014.74  119.158  970.723  173.511  1054.03  163.927  270.338   26.024  283.395   23.372 -13.05640 34.97850 
1 1 1   13   -1   28 o   90.958   12.527  106.721   27.700  108.126   33.585  103.734   48.984   90.875   15.346   87.445   22.348 3.429390 27.10996 
1 1 1   13   -1   29 o   83.438   13.460   90.799   27.092   93.986   32.139   82.975   50.357   84.299   15.849   78.449   23.703 5.850487 28.51349 
1 1 1   13   -1   30 o  204.191   11.663  531.672   59.224  539.044   78.378  521.863   90.417  203.998   15.502  199.264   18.378 4.733597 24.04247 
1 1 1   13   -1   31 o   81.727   13.434   87.820   26.465   82.168   30.592  104.626   52.756   78.199   16.199   86.284   23.740 -8.084770 28.73977 
1 1 1   13   -1   32 o  114.620   16.409  175.152   45.627  179.293   47.903  134.656  149.802  115.688   17.097   98.222   39.621 17.46581 43.15225 
1 1 1   13   -1   33 o  126.605   12.305  208.350   38.412  198.937   46.150  229.577   69.302  122.326   15.453  127.482   22.597 -5.156303 27.37489 
1 1 1   13   -1   34 o   38.214   14.539   14.313   19.196   16.555   20.654   0.0911   52.015   40.161   15.128   49.982   21.878 -9.821007 26.59870 
1 1 1   13   -1   35 f   34.920   14.010   8.7664   18.622   12.185   19.882 -15.6716   53.154   37.393   14.644   46.843   21.195 -9.449902 25.76217 
1 1 1   13   -1   36 o   68.711   16.768   66.187   28.517   75.557   32.036   30.426   62.586   73.102   17.731   59.857   25.027 13.24438 30.67155 
1 1 1   13   -1   37 o   46.359   20.704  -5.0555   48.898   3.2994   90.325  -8.5191   58.157   61.008   27.615   49.359   22.267 11.64863 35.47369 
1 1 1   13    0    0 o  499.133   15.653  3121.19  195.109  3228.46  276.347  3014.57  275.505  506.831   21.834  489.650   22.532 17.18088 31.37546 
1 1 1   13    0    1 o  182.850   9.5206  419.116   43.322  415.963   61.829  422.157   60.718  181.770   13.723  183.163   13.367 -1.393356 19.15695 
1 1 1   13    0    2 o  203.430   9.4698  517.375   48.107  517.584   68.385  517.171   67.686  202.883   13.576  202.816   13.440 0.6666565E-01 19.10395 
1 1 1   13    0    3 o  292.601   11.154  1070.94   81.502  1057.70  115.541  1084.05  114.983  290.069   16.013  293.707   15.734 -3.637299 22.44956 
1 1 1   13    0    4 o  466.100   15.377  2722.30  178.980  2653.62  253.292  2790.79  252.941  459.310   22.083  471.122   21.500 -11.81201 30.82068 
1 1 1   13    0    5 o  734.315   22.633  6787.63  415.030  6919.70  587.327  6655.91  586.556  738.498   31.848  724.069   32.440 14.42896 45.46021 
1 1 1   13    0    6 o  230.131   13.915  665.828   79.592   0.0000   0.0000  665.828   79.592  ?   ?   230.131   13.915 0.000000 13.91520 
1 1 1   13    0    7 o  446.947   20.609  2513.45  230.014  2513.45  230.014   0.0000   0.0000  446.947   20.609  ?   ?  0.000000 20.60853 
1 1 1   13    0    8 o  218.936   9.9556  599.651   54.430  578.270   77.549  620.410   76.414  214.270   14.580  222.066   13.849 -7.796051 20.10875 
1 1 1   13    0    9 o  227.733   9.8692  648.897   56.125  641.955   80.095  655.594   78.671  225.811   14.278  228.260   13.867 -2.448654 19.90358 
1 1 1   13    0   10 o  319.089   11.596  1275.29   92.400  1293.60  131.395  1257.38  129.962  320.445   16.476  315.905   16.532 4.540405 23.34000 
1 1 1   13    0   11 o  222.904   9.5724  621.849   53.283  649.960   76.491  595.350   74.265  227.220   13.542  217.402   13.750 9.817764 19.29932 
1 1 1   13    0   12 o  162.167   9.2971  330.243   37.493  295.627   54.102  362.230   52.006  152.761   14.351  169.509   12.371 -16.74829 18.94698 
1 1 1   13    0   13 o  244.421   14.761  753.804   89.676  757.086  129.403  750.771  124.387  243.544   21.498  242.705   20.722 0.8392181 29.85895 
1 1 1   13    0   14 o  454.164   21.701  2618.56  246.118  2549.92  349.338  2686.21  346.804  442.998   31.790  455.340   30.679 -12.34201 44.17892 
1 1 1   13    0   15 o  276.030   12.346  957.031   85.098  924.659  104.590  1020.43  146.373  270.416   15.554  282.737   20.879 -12.32135 26.03579 
1 1 1   13    0   16 o  269.854   10.642  913.649   71.716  879.372  102.633  946.355  100.252  263.552   15.665  273.653   14.725 -10.10117 21.49891 
1 1 1   13    0   17 o  230.500   10.011  666.439   57.625  610.335   82.837  719.045   80.213  219.418   15.212  238.602   13.518 -19.18402 20.35052 
1 1 1   13    0   18 o   82.625   10.603   87.089   21.373   89.823   32.513   85.008   28.363   82.892   16.288   80.895   14.576 1.996979 21.85794 
1 1 1   13    0   19 o  350.569   12.773  1547.20  111.822  1343.33  158.546  1749.00  157.737  324.276   19.672  371.555   17.000 -47.27911 26.00000 
1 1 1   13    0   20 o  214.679   10.000  578.474   53.611  501.773   76.668  651.866   74.995  198.612   15.583  227.059   13.284 -28.44687 20.47711 
1 1 1   13    0   21 o  305.747   11.445  1175.54   87.385  1164.55  124.384  1186.25  122.792  302.725   16.516  305.658   16.145 -2.933777 23.09616 
1 1 1   13    0   22 o  167.587   12.659  355.782   52.586  322.119   71.756  394.833   77.286  158.089   18.528  175.397   17.896 -17.30806 25.75929 
1 1 1   13    0   23 o  107.288   10.288  145.907   27.225  115.466   37.556  179.620   39.522   94.089   16.590  118.555   13.595 -24.46638 21.44933 
1 1 1   13    0   24 o  130.054   9.9557  213.679   32.088  184.950   43.946  246.485   46.961  119.998   14.993  139.063   13.701 -19.06439 20.31002 
1 1 1   13    0   25 o  248.245   10.670  775.057   66.147  685.911   92.709  867.498   94.407  231.934   16.107  261.444   14.517 -29.50908 21.68369 
1 1 1   13    0   26 o  354.767   12.539  1588.36  111.086  1362.25  155.595  1823.42  158.646  325.699   19.216  378.524   16.784 -52.82532 25.51344 
1 1 1   13    0   27 o  247.323   10.818  770.465   66.815  732.251   92.027  813.063   97.162  239.554   15.466  252.469   15.486 -12.91454 21.88668 
1 1 1   13    0   28 o   38.170   17.196 -16.2486   34.549 -52.2961   66.511  -2.9272   40.432   48.902   22.703   45.198   19.540 3.703205 29.95450 
1 1 1   13    0   29 o  179.676   21.573  426.886   94.858   0.0000   0.0000  426.886   94.858  ?   ?   179.676   21.573 0.000000 21.57268 
1 1 1   13    0   30 o  305.191   14.400  1191.40  109.746  1148.72  128.403  1307.09  211.404  297.626   17.352  308.975   27.693 -11.34930 32.68018 
1 1 1   13    0   31 f   76.000   13.911   76.207   25.429   73.449   29.634   83.911   49.524   73.950   16.470   78.242   23.476 -4.291313 28.67710 
1 1 1   13    0   32 o  237.990   11.751  723.358   69.834  701.525   91.787  753.367  107.610  231.718   15.960  238.601   18.198 -6.883698 24.20475 
1 1 1   13    0   33 o   63.904   15.671   55.412   24.818   62.904   28.107   28.904   52.870   67.891   16.695   58.387   23.543 9.503391 28.86174 
1 1 1   13    0   34 o  121.125   16.223  196.505   47.837  184.565   49.310  387.552  197.244  116.727   17.452  138.214   47.397 -21.48722 50.50829 
1 1 1   13    0   35 o  151.534   12.129  298.622   45.512  287.210   55.396  322.323   79.829  146.875   15.330  151.198   21.771 -4.323456 26.62610 
1 1 1   13    0   36 o  177.941   12.221  413.027   53.975  389.129   64.864  466.831   97.324  170.582   15.393  181.069   21.974 -10.48701 26.82944 
1 1 1   13    0   37 o   53.864   16.730   39.757   24.869   39.111   27.433   42.738   58.913   53.794   17.666   61.962   24.899 -8.168285 30.52914 
1 1 1   13    0   38 o  120.381   22.972  218.251   66.539  202.791  114.057  226.228   81.924  101.580   35.960  117.352   28.287 -15.77208 45.75235 
1 1 1   13    1    0 f  137.440   8.5025  236.988   29.038  254.124   42.033  221.342   40.163  142.025   11.963  132.445   12.283 9.580170 17.14624 
1 1 1   13    1    1 f  439.424   14.479  2417.85  158.880  2459.98  224.909  2375.89  224.471  442.621   20.348  434.951   20.667 7.670258 29.00270 
1 1 1   13    1    2 o  365.807   12.594  1674.47  115.048  1657.53  162.824  1691.37  162.580  363.541   17.935  367.253   17.728 -3.711273 25.21811 
1 1 1   13    1    3 o  161.456   9.3227  326.970   37.428  307.677   52.837  346.400   53.026  156.176   13.686  165.869   12.903 -9.692978 18.80965 
1 1 1   13    1    4 o  311.909   11.408  1217.03   88.858  1291.96  126.182  1143.31  125.152  321.092   15.737  301.534   16.686 19.55826 22.93598 
1 1 1   13    1    5 o  526.415   24.133  3490.58  317.247   0.0000   0.0000  3490.58  317.247  ?   ?   526.415   24.133 0.000000 24.13340 
1 1 1   13    1    6 f  811.416   35.333  8384.60  715.945  8384.60  715.945   0.0000   0.0000  811.416   35.333  ?   ?  0.000000 35.33342 
1 1 1   13    1    7 o  595.291   18.855  4451.42  280.294  4352.56  396.464  4550.21  396.327  586.779   27.057  600.119   26.446 -13.34021 37.83502 
1 1 1   13    1    8 o  247.771   10.084  767.946   62.395  813.062   88.821  723.991   87.670  254.340   14.039  239.879   14.706 14.46111 20.33156 
1 1 1   13    1    9 o  333.611   11.788  1393.47   98.201  1414.78  139.455  1372.51  138.307  335.694   16.636  330.198   16.829 5.495239 23.66358 
1 1 1   13    1   10 o  341.986   12.121  1464.94  103.516  1446.89  146.881  1482.75  145.912  338.862   17.417  343.531   17.009 -4.668671 24.34410 
1 1 1   13    1   11 o  183.813   9.3605  423.838   42.824  450.731   61.571  398.638   59.602  189.161   13.116  177.786   13.526 11.37592 18.84088 
1 1 1   13    1   12 o  229.364   9.9855  658.589   57.194  638.382   81.670  678.036   80.121  225.015   14.614  232.032   13.891 -7.016937 20.16260 
1 1 1   13    1   13 o  257.703   10.336  831.806   66.513  845.080   94.994  819.039   93.161  258.919   14.753  254.895   14.698 4.024445 20.82531 
1 1 1   13    1   14 o  451.672   15.048  2566.17  169.728  2508.81  240.480  2623.11  239.584  444.843   21.648  455.041   21.084 -10.19797 30.21902 
1 1 1   13    1   15 o  344.684   12.443  1491.79  107.100  1434.74  152.281  1547.63  150.656  336.484   18.191  350.175   17.229 -13.69122 25.05441 
1 1 1   13    1   16 o  102.669   15.009  135.524   37.343   83.039   58.073  172.527   48.761   80.961   25.628  115.604   17.433 -34.64308 30.99529 
1 1 1   13    1   17 o  211.820   14.230  567.628   74.831  568.835  109.614  566.575  102.408  210.409   21.148  210.368   19.724 0.4042053E-01 28.91882 
1 1 1   13    1   18 o  258.310   10.435  837.325   67.313  777.528   96.457  894.093   93.982  247.656   15.678  265.986   14.201 -18.32994 21.15294 
1 1 1   13    1   19 o  636.451   20.263  5158.86  322.046  4715.72  455.374  5602.27  455.509  600.456   30.469  657.626   27.738 -57.17029 41.20372 
1 1 1   13    1   20 o  265.324   10.846  884.228   71.864  783.813  102.515  981.251  100.768  248.277   16.631  278.475   14.541 -30.19861 22.09146 
1 1 1   13    1   21 o  147.410   8.9719  273.463   32.869  227.113   47.854  314.861   45.226  133.350   14.610  157.831   11.555 -24.48065 18.62701 
1 1 1   13    1   22 o  148.476   9.4654  277.699   34.912  178.524   49.908  372.736   48.855  117.366   17.569  171.793   11.454 -54.42668 20.97249 
1 1 1   13    1   23 o  271.443   10.943  926.153   74.174  783.750  104.987  1068.07  104.810  247.969   17.058  290.784   14.434 -42.81476 22.34546 
1 1 1   13    1   24 o   85.797   14.311   95.416   29.582   88.687   36.427  108.449   50.696   81.930   18.270   90.145   22.571 -8.215477 29.03881 
1 1 1   13    1   25 o  301.194   11.668  1142.09   87.758  982.310  123.486  1305.14  124.741  277.239   17.933  320.948   15.564 -43.70929 23.74490 
1 1 1   13    1   26 o  267.833   11.363  903.120   75.999  826.723  106.498  982.399  108.488  254.473   16.854  277.882   15.698 -23.40868 23.03275 
1 1 1   13    1   27 o  373.008   13.051  1757.81  121.563  1605.29  170.485  1915.55  173.383  353.482   19.388  387.380   17.923 -33.89832 26.40330 
1 1 1   13    1   28 o  138.962   11.018  244.856   37.922  236.614   49.557  256.503   58.907  135.737   14.863  140.781   17.108 -5.044174 22.66248 
1 1 1   13    1   29 o  116.054   16.539  175.434   46.576  158.833   92.698  181.041   53.869  106.834   32.133  117.173   19.066 -10.33843 37.36324 
1 1 1   13    1   30 o  214.789   16.185  594.915   86.172  594.247  129.626  595.443  115.350  210.068   25.214  212.037   22.110 -1.968750 33.53529 
1 1 1   13    1   31 o   82.830   13.283   89.575   26.547   81.885   31.053  110.459   51.171   78.323   16.402   89.535   22.819 -11.21247 28.10271 
1 1 1   13    1   32 o  150.948   11.055  291.069   41.382  279.464   51.945  311.229   68.465  146.762   14.357  153.253   18.249 -6.491699 23.21958 
1 1 1   13    1   33 o   39.137   14.225   16.640   17.978   18.338   19.521   7.1492   46.145   40.875   14.827   49.916   21.212 -9.040493 25.88078 
1 1 1   13    1   34 o   42.162   14.819   20.896   19.337   19.273   21.038   29.731   49.093   41.979   15.368   57.249   22.824 -15.27034 27.51552 
1 1 1   13    1   35 o  327.070   20.982  1471.76  170.466  1420.57  202.527  1596.16  315.709  313.576   26.101  300.155   43.379 13.42120 50.62573 
1 1 1   13    1   36 o  127.246   13.435  213.210   42.045  227.747   49.477  175.432   79.762  130.482   15.487  105.753   29.229 24.72911 33.07822 
1 1 1   13    1   37 o   53.178   16.624   38.277   24.509   33.956   27.019   58.345   58.229   51.246   17.543   66.962   25.359 -15.71546 30.83538 
1 1 1   13    1   38 o   48.636   16.892   30.334   25.092   42.943   27.396 -35.3216   62.516   55.751   17.598   46.805   21.823 8.946281 28.03449 
1 1 1   13    1   39 o   58.332   17.804   48.393   28.306   42.417   31.431   74.050   65.124   55.481   18.921   70.513   26.791 -15.03183 32.79873 
1 1 1   13    2    0 o  157.987   9.3388  313.101   36.680  301.184   52.228  324.699   51.526  154.518   13.677  160.561   12.961 -6.043625 18.84287 
1 1 1   13    2    1 o  564.760   16.757  3997.49  236.322  4146.54  334.582  3849.11  333.838  574.178   23.335  553.055   24.172 21.12238 33.59779 
1 1 1   13    2    2 o  284.978   10.612  1015.57   75.521  1033.07  107.023  998.207  106.585  286.816   14.995  281.899   15.197 4.916473 21.34913 
1 1 1   13    2    3 o  957.139   28.972 11571.58  692.471 11816.80  979.746 11326.79  978.859  961.811   40.792  941.209   41.647 20.60199 58.29614 
1 1 1   13    2    4 o  445.079   14.546  2480.83  161.676  2504.48  228.758  2457.23  228.530  446.535   20.515  442.279   20.692 4.255737 29.13774 
1 1 1   13    2    5 o  206.183   9.3974  531.481   48.385  544.046   69.204  519.465   67.675  208.040   13.392  203.264   13.408 4.775955 18.95045 
1 1 1   13    2    6 o  325.854   11.741  1328.57   95.536  1438.59  135.628  1220.20  134.596  338.771   16.032  311.414   17.377 27.35663 23.64306 
1 1 1   13    2    7 f  524.502   16.860  3450.70  220.828  3485.58  312.600  3415.94  311.997  525.954   23.801  520.634   23.998 5.319824 33.79883 
1 1 1   13    2    8 o  327.189   11.864  1339.91   96.934  1286.10  137.347  1393.31  136.826  319.658   17.270  333.273   16.441 -13.61438 23.84434 
1 1 1   13    2    9 o  227.905   10.139  649.772   57.703  590.308   81.867  708.481   81.346  216.435   15.245  237.389   13.781 -20.95398 20.55056 
1 1 1   13    2   10 o  496.117   15.915  3089.03  197.170  3093.07  279.250  3085.00  278.432  495.157   22.584  494.519   22.547 0.6381531 31.91229 
1 1 1   13    2   11 o  167.806   9.2583  353.329   38.646  335.676   55.449  370.004   53.892  163.049   13.747  171.373   12.683 -8.323669 18.70378 
1 1 1   13    2   12 o  244.654   10.106  749.229   61.744  743.746   88.097  754.522   86.562  242.997   14.586  244.809   14.221 -1.811386 20.37085 
1 1 1   13    2   13 o  449.167   14.818  2534.14  166.204  2570.09  235.642  2498.55  234.458  451.009   20.923  444.639   21.116 6.370056 29.72595 
1 1 1   13    2   14 o   91.570   9.9646  106.243   22.418  105.171   33.609  107.103   30.089   90.205   15.478   91.379   13.601 -1.174133 20.60436 
1 1 1   13    2   15 o  266.616   10.666  890.983   71.013  866.222  101.232  914.972   99.641  261.869   15.550  269.291   14.875 -7.422058 21.51908 
1 1 1   13    2   16 o  239.085   10.163  716.489   60.678  678.284   86.825  752.963   84.834  231.605   15.095  244.286   13.965 -12.68109 20.56349 
1 1 1   13    2   17 o   77.033   10.487   75.783   19.649   74.830   29.895   76.508   26.071   75.579   16.318   76.780   14.118 -1.200684 21.57749 
1 1 1   13    2   18 o  137.531   13.497  240.306   45.757  272.428   70.110  216.472   60.391  145.174   19.860  129.261   19.301 15.91341 27.69370 
1 1 1   13    2   19 o  395.093   19.365  1983.32  191.060  2083.77  273.215  1887.19  267.281  400.646   27.474  380.747   28.314 19.89859 39.45263 
1 1 1   13    2   20 f  633.206   20.140  5105.96  318.465  4863.46  450.600  5347.97  450.156  611.169   29.524  642.155   28.072 -30.98608 40.73962 
1 1 1   13    2   21 o  150.763   9.0333  285.990   33.852  280.086   49.625  291.129   46.297  148.483   13.532  151.620   12.335 -3.136459 18.31013 
1 1 1   13    2   22 o  267.990   10.986  902.434   73.521  768.033  104.643  1033.46  103.319  245.540   17.174  285.753   14.527 -40.21350 22.49416 
1 1 1   13    2   23 f  355.213   12.960  1589.79  114.957  1553.17  163.112  1625.93  162.040  348.890   18.791  357.216   18.226 -8.326233 26.17797 
1 1 1   13    2   24 o  183.988   9.6568  426.029   44.213  374.868   62.575  477.035   62.480  171.620   14.744  194.130   12.963 -22.51006 19.63220 
1 1 1   13    2   25 o  212.658   10.324  568.170   54.826  560.583   77.655  575.711   77.418  210.024   14.903  212.914   14.650 -2.890137 20.89803 
1 1 1   13    2   26 o  365.082   17.596  1695.83  160.419  1532.40  222.506  1872.74  231.493  342.294   26.231  379.615   24.551 -37.32108 35.92798 
1 1 1   13    2   27 o  153.508   10.289  297.564   39.213  271.558   53.015  328.976   58.266  145.725   14.773  160.548   14.696 -14.82237 20.83777 
1 1 1   13    2   28 o  293.954   11.768  1089.58   86.384  941.084  120.330  1247.50  124.089  270.907   17.888  312.877   15.935 -41.97006 23.95598 
1 1 1   13    2   29 o  221.819   11.160  622.042   61.619  597.716   84.278  649.981   90.320  216.111   15.724  225.254   16.164 -9.143127 22.55092 
1 1 1   13    2   30 o  187.012   10.889  442.997   50.634  429.239   66.857  461.504   77.540  182.989   14.756  189.153   16.583 -6.164520 22.19809 
1 1 1   13    2   31 o  172.364   11.048  377.456   47.304  367.662   61.576  391.561   73.893  168.975   14.740  173.457   17.290 -4.482178 22.72024 
1 1 1   13    2   32 o   49.305   20.231   13.558   39.857 -33.1005   73.573   32.939   47.418   54.310   24.716   58.721   22.721 -4.410976 33.57238 
1 1 1   13    2   33 o   91.685   12.590  109.388   28.063  110.037   32.965  107.677   53.489   91.224   14.992   87.534   23.830 3.689171 28.15349 
1 1 1   13    2   34 o   29.973   12.545   2.5438   15.751   5.4279   16.756 -19.3396   46.157   32.198   13.154   43.550   19.724 -11.35240 23.70788 
1 1 1   13    2   35 o  296.167   13.382  1135.84   98.972  1184.68  129.922  1068.30  152.772  298.272   17.520  278.052   22.187 20.22000 28.27029 
1 1 1   13    2   36 o   48.206   15.862   29.885   22.113   26.435   24.435   45.492   51.975   46.966   16.642   62.585   23.897 -15.61852 29.12070 
1 1 1   13    2   37 f   51.433   17.603   33.890   27.206   33.890   27.206   0.0000   0.0000   51.433   17.603  ?   ?  0.000000 17.60316 
1 1 1   13    2   38 o   46.227   16.344   26.267   23.555   19.339   25.873   59.811   56.930   43.695   16.818   67.006   25.140 -23.31069 30.24681 
1 1 1   13    2   39 o   46.868   16.809   27.139   24.998   29.511   27.534   16.013   59.633   48.779   17.623   55.087   23.773 -6.308144 29.59255 
1 1 1   13    3    0 o  132.138   8.3144  219.074   27.296  237.774   38.955  201.038   38.258  137.402   11.458  126.167   12.300 11.23534 16.80936 
1 1 1   13    3    1 o  595.858   18.862  4454.22  280.659  4425.77  396.989  4482.64  396.836  592.516   26.830  596.349   26.648 -3.833191 37.81500 
1 1 1   13    3    2 o  475.266   15.632  2829.60  185.519  2780.88  262.394  2878.29  262.333  470.352   22.340  478.574   21.951 -8.221863 31.31955 
1 1 1   13    3    3 o  813.823   24.884  8339.57  505.711  8559.71  715.547  8119.88  714.820  821.168   34.894  799.446   35.806 21.72198 49.99697 
1 1 1   13    3    4 o  374.274   18.489  1757.39  172.806   0.0000   0.0000  1757.39  172.806  ?   ?   374.274   18.489 0.000000 18.48921 
1 1 1   13    3    5 o  217.262   13.371  593.100   72.192  593.100   72.192   0.0000   0.0000  217.262   13.371  ?   ?  0.000000 13.37115 
1 1 1   13    3    6 o  880.995   26.845  9794.88  590.591  9901.48  835.536  9688.44  834.909  881.110   37.974  871.388   38.369 9.721802 53.98303 
1 1 1   13    3    7 f  687.894   21.299  5950.16  365.881  6198.17  517.917  5703.07  516.953  699.784   29.638  670.872   30.857 28.91168 42.78529 
1 1 1   13    3    8 o  298.543   11.347  1115.22   84.593  1121.44  120.013  1109.08  119.255  298.616   16.154  296.963   16.142 1.653564 22.83678 
1 1 1   13    3    9 o  548.253   17.172  3772.77  235.101  3729.74  332.682  3815.71  332.284  543.645   24.506  549.948   24.196 -6.303345 34.43763 
1 1 1   13    3   10 o  166.292   9.3020  346.928   38.473  299.863   54.828  392.579   53.998  153.994   14.426  176.633   12.319 -22.63870 18.97025 
1 1 1   13    3   11 o  472.751   15.331  2804.34  180.984  2825.32  256.382  2783.51  255.520  473.348   21.690  469.813   21.780 3.534515 30.73753 
1 1 1   13    3   12 f  228.928   9.6932  655.787   55.414  676.058   79.222  636.369   77.539  231.782   13.749  224.834   13.878 6.948242 19.53541 
1 1 1   13    3   13 o  370.849   12.962  1724.58  120.040  1739.44  170.325  1709.91  169.206  371.645   18.353  368.470   18.389 3.174469 25.98042 
1 1 1   13    3   14 o  281.194   10.808  990.545   75.896  990.688  108.183  990.405  106.503  280.301   15.516  280.303   15.273 -0.1708984E-02 21.77175 
1 1 1   13    3   15 o  137.843   9.0966  238.896   31.136  244.633   45.699  233.926   42.537  138.953   13.334  135.948   12.676 3.005066 18.39765 
1 1 1   13    3   16 o   87.375   9.9230   96.876   21.267   89.476   31.868  102.817   28.556   82.911   15.971   89.533   13.165 -6.621918 20.69801 
1 1 1   13    3   17 o  161.639   9.0967  328.302   36.569  328.441   53.048  328.176   50.480  161.094   13.306  161.133   12.647 -0.3936768E-01 18.35728 
1 1 1   13    3   18 o  149.027   9.1589  279.326   33.920  294.457   49.827  266.257   46.306  152.445   13.220  144.954   12.928 7.490662 18.49057 
1 1 1   13    3   19 o  154.387   8.9778  299.692   34.463  298.390   50.441  300.833   47.196  153.415   13.298  154.204   12.360 -0.7889099 18.15520 
1 1 1   13    3   20 o  544.006   25.535  3809.52  346.892  3620.00  491.862  3997.08  489.307  519.660   38.170  548.274   35.937 -28.61407 52.42544 
1 1 1   13    3   21 o  138.158   13.991  243.024   47.604  269.023   75.508  225.873   61.328  143.617   21.733  132.009   19.164 11.60851 28.97585 
1 1 1   13    3   22 o  295.751   11.322  1099.31   83.618  1007.28  119.087  1188.82  117.436  281.451   17.024  306.719   15.332 -25.26852 22.91063 
1 1 1   13    3   23 o  128.715   9.4959  208.964   30.307  200.795   44.035  216.316   41.775  125.347   14.325  130.413   13.001 -5.065826 19.34525 
1 1 1   13    3   24 o  485.189   16.149  2980.97  195.657  2779.75  276.891  3181.64  276.512  464.078   23.975  498.148   22.228 -34.06912 32.69371 
1 1 1   13    3   25 o  159.175   9.3641  318.999   37.057  278.069   52.123  360.833   52.696  147.716   14.310  168.788   12.593 -21.07243 19.06165 
1 1 1   13    3   26 o  301.098   11.997  1141.58   90.203  1171.18  127.778  1112.17  127.355  303.263   16.941  295.363   17.343 7.900543 24.24361 
1 1 1   13    3   27 o  125.289   10.818  198.856   33.513  218.446   45.824  176.329   49.140  130.699   14.272  116.536   17.420 14.16298 22.52037 
1 1 1   13    3   28 f  103.729   28.854  146.248   77.465   0.0000   0.0000  146.248   77.465  ?   ?   103.729   28.854 0.000000 28.85431 
1 1 1   13    3   29 o  203.593   15.194  529.183   76.692  529.183   76.692   0.0000   0.0000  203.593   15.194  ?   ?  0.000000 15.19406 
1 1 1   13    3   30 o  197.238   10.590  491.745   51.968  425.290   69.499  576.026   78.268  182.109   15.428  212.311   14.856 -30.20270 21.41767 
1 1 1   13    3   31 o  160.080   10.748  325.070   42.717  279.682   55.430  391.445   67.031  147.210   15.302  174.315   15.563 -27.10474 21.82536 
1 1 1   13    3   32 o   51.349   14.904   34.519   20.237   38.102   22.623   20.173   45.272   53.914   15.790   53.970   21.777 -0.5593872E-01 26.89962 
1 1 1   13    3   33 o  207.218   12.123  548.935   62.457  576.418   82.194  511.387   96.075  210.706   15.735  196.171   19.887 14.53442 25.35889 
1 1 1   13    3   34 o   73.652   22.571   74.516   45.438   37.600   81.558   91.132   54.716   69.724   28.811   80.713   24.774 -10.98901 37.99771 
1 1 1   13    3   35 o  250.999   12.473  809.972   78.182  820.948  101.407  793.888  122.759  249.672   16.355  241.973   20.509 7.698380 26.23175 
1 1 1   13    3   36 o   77.387   15.097   80.759   28.127   66.976   32.280  124.216   57.319   69.518   18.332   92.300   24.471 -22.78119 30.57628 
1 1 1   13    3   37 o  144.713   12.749  273.356   45.600  277.570   55.311  264.413   80.573  144.315   15.596  134.667   24.876 9.648804 29.36060 
1 1 1   13    3   38 o   39.160   15.402   13.274   22.075   24.448   23.810 -55.1091   58.905   45.493   16.395   42.954   20.381 2.539196 26.15721 
1 1 1   13    3   39 o   77.493   19.577   86.586   37.898   86.586   37.898   0.0000   0.0000   77.493   19.577  ?   ?  0.000000 19.57723 
1 1 1   13    3   40 o   47.479   17.207   27.803   26.280   17.700   29.024   73.777   61.915   44.014   17.549   70.667   26.276 -26.65311 31.59700 
1 1 1   13    4    0 o  279.712   9.3082  978.026   65.017  1004.04   92.143  952.234   91.755  283.249   13.027  275.831   13.321 7.418152 18.63197 
1 1 1   13    4    1 o  452.620   15.041  2565.71  170.005  2538.73  240.505  2592.67  240.343  449.532   21.425  454.314   21.185 -4.781586 30.12988 
1 1 1   13    4    2 o  667.834   20.842  5601.42  347.587  5563.38  491.632  5639.45  491.494  663.579   29.669  668.156   29.457 -4.577148 41.80844 
1 1 1   13    4    3 o  533.726   17.217  3571.16  229.473  3414.96  324.433  3727.53  324.616  520.771   24.948  544.274   23.884 -23.50275 34.53706 
1 1 1   13    4    4 o  898.299   27.286 10179.41  612.093  9534.48  864.787 10826.86  866.474  864.286   40.068  922.189   37.626 -57.90283 54.96517 
1 1 1   13    4    5 o  375.533   18.524  1769.40  173.713  1784.30  244.757  1754.27  246.587  375.300   26.282  372.023   26.721 3.277313 37.47990 
1 1 1   13    4    6 o  464.689   21.447  2714.31  248.878  2507.28  350.691  2924.39  353.258  443.739   31.860  480.007   29.616 -36.26767 43.49878 
1 1 1   13    4    7 o  332.908   17.160  1393.64  142.171  1400.01  200.066  1387.15  202.070  332.502   24.263  330.895   24.631 1.606842 34.57399 
1 1 1   13    4    8 o  252.822   14.664  803.515   92.182  769.992  128.983  838.515  131.793  246.558   21.154  257.449   20.674 -10.89160 29.57890 
1 1 1   13    4    9 o  486.825   22.288  2984.47  270.949  2738.87  382.042  3233.01  384.327  462.835   33.277  503.894   30.689 -41.05957 45.26785 
1 1 1   13    4   10 o  336.020   17.260  1421.25  144.341  1424.21  203.214  1418.23  205.057  335.015   24.460  334.245   24.743 0.7703857 34.79227 
1 1 1   13    4   11 o  393.620   13.224  1941.36  129.987  1895.55  184.289  1986.71  183.372  388.221   19.009  397.527   18.472 -9.305206 26.50620 
1 1 1   13    4   12 o  260.632   10.686  850.295   69.550  799.915   98.839  899.706   97.884  251.931   15.790  267.397   14.716 -15.46547 21.58451 
1 1 1   13    4   13 o  217.553   9.9080  592.364   53.827  522.959   76.756  659.530   75.507  203.524   15.212  228.961   13.263 -25.43727 20.18214 
1 1 1   13    4   14 o  169.825   9.1109  361.939   38.497  369.212   55.691  355.284   53.274  171.065   13.137  167.832   12.808 3.233826 18.34762 
1 1 1   13    4   15 o  299.966   11.209  1127.72   83.964  1133.99  119.612  1121.64  117.893  299.790   16.035  298.175   15.890 1.614807 22.57527 
1 1 1   13    4   16 o  124.144   9.1571  194.011   28.187  200.540   41.554  188.447   38.363  125.648   13.453  121.859   12.798 3.788994 18.56771 
1 1 1   13    4   17 o  145.450   9.0568  265.968   32.733  281.853   47.970  252.128   44.777  149.223   13.003  141.098   12.849 8.124207 18.28049 
1 1 1   13    4   18 o   99.559   9.4364  125.309   23.180  106.366   34.682  140.603   31.163   90.541   15.921  105.126   12.091 -14.58457 19.99147 
1 1 1   13    4   19 o  360.751   12.986  1636.89  116.987  1494.14  165.930  1777.98  164.963  342.579   19.476  374.827   17.624 -32.24860 26.26667 
1 1 1   13    4   20 o  252.468   10.411  799.824   65.634  757.644   93.907  840.107   91.771  244.518   15.459  257.792   14.312 -13.27382 21.06664 
1 1 1   13    4   21 o  187.353   9.3464  440.112   43.728  420.314   63.281  458.204   60.494  182.090   14.025  190.397   12.798 -8.307220 18.98600 
1 1 1   13    4   22 o  153.822   10.592  298.473   40.439  421.369   82.103  259.110   46.466  181.296   18.390  142.847   13.174 38.44902 22.62185 
1 1 1   13    4   23 o  221.236   14.868  620.783   81.662  586.546  120.862  649.541  110.772  212.677   23.130  224.963   19.924 -12.28595 30.52835 
1 1 1   13    4   24 o  490.292   16.184  3043.11  198.153  2940.60  280.617  3145.06  279.846  478.353   23.492  495.210   22.630 -16.85764 32.61845 
1 1 1   13    4   25 o  155.010   9.6293  302.679   37.089  274.361   52.965  329.926   51.955  146.671   14.657  161.300   13.009 -14.62869 19.59761 
1 1 1   13    4   26 o  188.019   9.9918  445.130   46.745  389.778   65.928  501.089   66.288  174.894   15.248  198.874   13.426 -23.98035 20.31658 
1 1 1   13    4   27 o  166.210   9.7615  348.075   40.338  307.842   56.015  391.416   58.138  155.372   14.609  175.630   13.356 -20.25757 19.79376 
1 1 1   13    4   28 o  183.529   9.8680  424.364   45.060  347.807   61.302  514.342   66.458  165.067   15.037  201.412   13.288 -36.34532 20.06662 
1 1 1   13    4   29 o  126.799   15.343  206.839   47.592  244.866   55.418   99.989   92.896  137.838   16.424   91.023   32.428 46.81439 36.34998 
1 1 1   13    4   30 o  250.104   15.044  797.557   93.518  741.368  120.459  882.802  148.370  239.036   20.375  259.623   23.127 -20.58708 30.82193 
1 1 1   13    4   31 o  147.816   10.762  277.107   39.453  265.553   51.260  293.899   61.797  143.784   14.473  150.664   16.706 -6.879944 22.10348 
1 1 1   13    4   32 o   83.016   12.636   89.408   25.369   67.648   30.033  143.598   47.396   71.121   17.117  103.793   18.986 -32.67230 25.56286 
1 1 1   13    4   33 o  297.801   13.398  1132.60   99.634  1138.09  135.909  1126.24  146.493  295.020   18.542  292.256   20.196 2.763245 27.41733 
1 1 1   13    4   34 o  158.744   11.498  322.468   45.270  320.978   57.212  324.964   74.035  157.160   14.750  155.967   19.430 1.192459 24.39479 
1 1 1   13    4   35 o  170.500   16.413  383.077   69.020  432.431  117.723  357.227   85.199  173.070   28.211  161.551   21.665 11.51968 35.56981 
1 1 1   13    4   36 o   64.104   15.898   55.907   25.324   62.033   28.780   34.893   53.305   67.292   17.093   60.179   23.849 7.113132 29.34187 
1 1 1   13    4   37 o   92.812   14.997  115.285   33.572  143.499   39.434   40.982   63.995  103.424   15.767   64.495   25.938 38.92983 30.35471 
1 1 1   13    4   38 f   45.990   16.078   25.831   22.751   21.141   25.108   47.351   53.780   44.473   16.694   63.316   24.277 -18.84312 29.46250 
1 1 1   13    4   39 o   79.019   16.161   86.106   30.815   89.471   35.545   75.924   61.826   79.674   18.256   72.999   26.402 6.674965 32.09928 
1 1 1   13    4   40 o  101.573   19.532  147.660   47.743  147.660   47.743   0.0000   0.0000  101.573   19.532  ?   ?  0.000000 19.53211 
1 1 1   13    5    0 o  589.700   18.563  4362.39  273.351  4281.88  386.514  4442.95  386.641  582.803   26.558  593.766   26.076 -10.96283 37.21931 
1 1 1   13    5    1 o  533.352   16.667  3565.23  221.981  3654.32  314.178  3476.43  313.679  538.998   23.342  525.622   23.898 13.37592 33.40598 
1 1 1   13    5    2 o  224.308   10.042  629.082   56.248  602.681   79.617  655.391   79.477  218.895   14.650  228.376   14.004 -9.481079 20.26625 
1 1 1   13    5    3 o  1013.71   65.116 13622.12  1639.64   0.0000   0.0000 13622.12  1639.64  ?   ?   1013.71   65.116 0.000000 65.11600 
1 1 1   13    5    4 o  699.680   44.793  6306.26  778.532  6306.26  778.532   0.0000   0.0000  699.680   44.793  ?   ?  0.000000 44.79325 
1 1 1   13    5    5 o  214.845   13.394  580.024   71.503  487.496   99.033  680.785  103.345  195.955   20.544  232.289   17.955 -36.33366 27.28450 
1 1 1   13    5    6 o  324.553   16.888  1324.19  136.403  1341.76  191.970  1306.29  193.849  325.630   23.772  321.170   24.351 4.460419 34.03093 
1 1 1   13    5    7 o  190.276   13.290  455.452   62.752  458.264   87.148  452.424   90.432  190.191   18.587  188.832   19.456 1.358612 26.90756 
1 1 1   13    5    8 o  488.636   22.353  3004.80  272.751  2771.87  384.516  3240.70  386.953  465.978   33.263  504.767   30.847 -38.78796 45.36443 
1 1 1   13    5    9 f  885.037   38.907 10029.37  859.894  9955.57  1215.49 10103.32  1216.66  868.490   56.349  875.260   55.958 -6.770081 79.41343 
1 1 1   13    5   10 o  286.826   15.720  1034.86  112.167  1065.63  157.786  1003.42  159.483  290.072   21.945  281.246   22.907 8.826385 31.72241 
1 1 1   13    5   11 o  362.858   18.042  1654.45  163.484  1632.58  230.300  1676.67  232.112  358.353   25.910  363.219   25.758 -4.865814 36.53475 
1 1 1   13    5   12 o  230.211   14.154  667.021   80.972  677.372  113.365  656.240  115.695  231.122   19.834  227.322   20.605 3.799118 28.59992 
1 1 1   13    5   13 o  420.472   20.098  2228.33  211.030  2189.08  297.868  2267.89  299.017  413.705   29.016  421.260   28.594 -7.555145 40.73758 
1 1 1   13    5   14 o  320.938   16.690  1298.74  133.299  1238.98  188.002  1359.17  189.029  311.725   24.344  326.852   23.312 -15.12613 33.70616 
1 1 1   13    5   15 o  557.274   17.627  3912.14  245.294  3966.71  347.680  3858.05  346.121  558.686   24.921  550.888   25.160 7.797791 35.41303 
1 1 1   13    5   16 o  329.007   12.029  1357.80   98.827  1337.47  140.463  1377.74  139.072  325.275   17.355  330.248   16.920 -4.973145 24.23856 
1 1 1   13    5   17 o  447.784   14.858  2523.16  166.144  2584.60  235.698  2462.48  234.236  451.488   20.905  440.568   21.291 10.92004 29.83838 
1 1 1   13    5   18 o  216.819   9.5868  589.072   51.907  609.011   74.796  570.547   72.093  219.633   13.706  212.565   13.654 7.067642 19.34620 
1 1 1   13    5   19 o  217.644   9.8798  593.875   53.696  579.149   77.131  607.724   74.799  213.941   14.523  219.331   13.726 -5.389816 19.98303 
1 1 1   13    5   20 o  213.478   9.9466  571.539   53.025  530.344   76.189  610.237   73.842  204.530   15.022  219.771   13.521 -15.24130 20.21072 
1 1 1   13    5   21 o  114.210   9.0400  164.502   25.572  156.352   38.150  171.152   34.459  110.510   14.149  116.071   12.065 -5.560768 18.59465 
1 1 1   13    5   22 o  185.808   9.2047  432.853   42.709  396.303   61.956  465.949   58.956  176.744   14.156  192.075   12.357 -15.33095 18.79093 
1 1 1   13    5   23 o  138.904   9.1924  242.983   31.705  212.474   46.413  269.676   43.413  128.945   14.675  145.948   12.018 -17.00336 18.96875 
1 1 1   13    5   24 o  456.494   17.287  2642.28  197.068  3011.66  347.190  2466.71  239.363  479.916   29.108  439.077   21.831 40.83942 36.38457 
1 1 1   13    5   25 o  178.194   14.398  403.371   63.523  419.844   98.296  391.558   83.240  179.714   22.388  174.322   19.454 5.391739 29.65947 
1 1 1   13    5   26 o  149.497   9.4652  281.541   35.153  311.131   50.242  253.163   49.202  156.609   12.964  140.927   14.173 15.68204 19.20770 
1 1 1   13    5   27 o  133.937   14.390  229.172   47.375   0.0000   0.0000  229.172   47.375  ?   ?   133.937   14.390 0.000000 14.38990 
1 1 1   13    5   28 o  296.981   16.078  1121.66  118.789  1121.66  118.789   0.0000   0.0000  296.981   16.078  ?   ?  0.000000 16.07751 
1 1 1   13    5   29 o   56.792   14.435   42.381   20.515   51.476   24.407   20.493   37.864   62.501   15.668   51.386   20.184 11.11511 25.55106 
1 1 1   13    5   30 o  205.562   11.056  533.805   56.547  609.147   77.909  449.931   82.202  218.794   14.339  186.885   17.830 31.90970 22.88059 
1 1 1   13    5   31 o  160.428   14.290  329.287   56.649  314.275   65.891  371.826  110.916  155.853   17.218  165.454   27.833 -9.601242 32.72822 
1 1 1   13    5   32 o  157.513   14.330  318.472   55.749  292.011   63.174  411.604  118.520  149.871   17.191  173.085   28.407 -23.21318 33.20341 
1 1 1   13    5   33 o  272.437   12.735  944.195   86.638  1068.63  118.582  801.715  126.888  287.559   16.584  246.525   20.806 41.03391 26.60662 
1 1 1   13    5   34 o  243.216   12.613  756.607   76.340  774.310  101.555  733.607  115.757  243.845   16.780  235.387   19.879 8.458496 26.01427 
1 1 1   13    5   35 o   28.979   12.166   1.9430   14.884   3.9232   15.868 -12.5511   42.931   30.795   12.715   43.503   19.416 -12.70765 23.20876 
1 1 1   13    5   36 o  149.079   11.140  285.345   41.172  263.190   50.757  327.968   70.402  141.777   14.542  156.378   18.379 -14.60194 23.43632 
1 1 1   13    5   37 o   51.022   20.926   17.692   42.615   18.802   84.663   17.315   49.318   65.591   28.316   53.613   22.299 11.97821 36.04240 
1 1 1   13    5   38 o  114.693   12.827  172.277   36.109  151.615   42.999  221.708   66.507  105.760   16.846  125.163   22.086 -19.40361 27.77732 
1 1 1   13    5   39 o  139.654   12.997  255.956   44.806  265.387   54.194  235.585   79.652  140.705   15.691  125.137   26.324 15.56834 30.64539 
1 1 1   13    5   40 o   46.441   16.781   25.832   24.969   23.802   27.892   34.019   56.022   46.516   17.567   59.128   24.092 -12.61234 29.81605 
1 1 1   13    5   41 o   56.627   18.023   44.673   28.691   34.931   32.373   80.338   61.941   52.503   19.087   73.013   26.424 -20.50985 32.59636 
1 1 1   13    6    0 o  136.445   8.8241  233.677   29.905  242.733   42.192  224.533   42.394  138.740   12.306  133.327   12.894 5.412735 17.82389 
1 1 1   13    6    1 o  679.175   21.014  5794.87  356.401  5804.70  504.094  5785.05  503.961  677.666   29.788  676.506   29.831 1.160278 42.15755 
1 1 1   13    6    2 o  812.052   35.706  8379.27  724.062   0.0000   0.0000  8379.27  724.062  ?   ?   812.052   35.706 0.000000 35.70602 
1 1 1   13    6    3 o  505.746   33.427  3256.78  419.783  3256.78  419.783   0.0000   0.0000  505.746   33.427  ?   ?  0.000000 33.42706 
1 1 1   13    6    4 o  187.812   13.174  443.652   61.394  411.955   84.548  479.009   89.295  180.187   19.080  194.517   18.610 -14.32994 26.65334 
1 1 1   13    6    5 o  266.570   15.072  892.944   99.922  883.038  139.700  903.321  142.981  264.232   21.354  267.227   21.611 -2.995575 30.38187 
1 1 1   13    6    6 o  978.107   34.266 12150.29  836.948 11422.80  1447.77 12515.45  1025.71  928.302   62.824  988.784   41.541 -60.48157 75.31570 
1 1 1   13    6    7 o  488.518   15.549  2990.64  189.681  3093.97  268.584  2887.82  267.916  496.034   21.683  479.112   22.393 16.92230 31.17038 
1 1 1   13    6    8 o  395.554   13.486  1959.19  133.210  2002.17  188.635  1916.44  188.143  399.316   18.917  390.631   19.287 8.685638 27.01577 
1 1 1   13    6    9 o  660.900   20.725  5492.80  342.037  5511.11  483.922  5474.52  483.506  659.637   29.378  657.420   29.452 2.217041 41.59872 
1 1 1   13    6   10 o  648.593   20.400  5291.46  330.411  5261.43  467.406  5321.46  467.138  644.315   29.050  648.041   28.866 -3.725891 40.95327 
1 1 1   13    6   11 o  525.903   16.845  3472.11  221.224  3470.63  313.122  3473.58  312.594  524.350   23.913  524.585   23.862 -0.2349243 33.78260 
1 1 1   13    6   12 o  178.436   9.0098  399.227   40.017  379.140   57.112  418.599   56.086  173.434   13.288  182.392   12.387 -8.957184 18.16647 
1 1 1   13    6   13 o  366.643   12.808  1684.72  117.268  1683.66  166.229  1685.78  165.458  365.835   18.196  366.079   18.099 -0.2442322 25.66462 
1 1 1   13    6   14 o  442.396   14.809  2457.11  163.596  2486.92  231.919  2427.58  230.805  443.864   20.924  438.501   21.078 5.363220 29.69963 
1 1 1   13    6   15 o  418.174   20.102  2207.85  209.921  2269.02  296.511  2146.38  297.237  420.729   28.388  408.800   29.311 11.92880 40.80473 
1 1 1   13    6   16 o  132.924   12.540  223.622   41.132  208.202   57.353  239.952   59.022  127.156   18.613  136.868   17.682 -9.712318 25.67317 
1 1 1   13    6   17 o  253.433   14.589  810.397   91.939  807.440  129.918  813.363  130.127  251.608   20.866  252.547   20.819 -0.9387817 29.47551 
1 1 1   13    6   18 o  273.943   12.330  942.357   84.350  913.354  145.192  957.132  103.632  267.203   21.954  275.281   15.133 -8.078827 26.66435 
1 1 1   13    6   19 o  290.733   11.002  1060.60   79.878  1098.98  114.142  1023.77  111.823  294.824   15.559  284.472   15.804 10.35217 22.17712 
1 1 1   13    6   20 o  171.079   9.0738  367.775   38.626  386.034   56.452  351.702   52.966  174.712   13.033  166.754   12.818 7.958023 18.27968 
1 1 1   13    6   21 o   91.847   9.7381  106.962   21.995   88.798   33.374  120.908   29.244   82.347   16.799   97.310   12.310 -14.96298 20.82618 
1 1 1   13    6   22 o  236.299   10.086  700.570   59.514  678.030   85.462  721.794   82.928  231.348   14.872  238.927   13.960 -7.578445 20.39714 
1 1 1   13    6   23 o  203.863   9.5071  521.240   48.399  523.926   69.940  518.771   67.046  203.423   13.850  202.518   13.332 0.9049072 19.22437 
1 1 1   13    6   24 o  191.349   9.7670  460.567   46.515  456.430   67.173  464.378   64.473  189.690   14.286  191.488   13.571 -1.798523 19.70403 
1 1 1   13    6   25 o  406.319   13.867  2082.07  140.705  2003.17  199.743  2159.78  198.238  395.829   20.276  411.929   19.271 -16.10013 27.97298 
1 1 1   13    6   26 o  337.608   11.926  1434.04  100.548  1293.48  142.846  1572.08  141.555  318.600   18.028  352.386   16.086 -33.78610 24.16183 
1 1 1   13    6   27 o  159.368   15.211  324.034   59.801  279.560   96.201  352.043   76.344  144.404   27.685  165.274   18.834 -20.87038 33.48428 
1 1 1   13    6   28 o  143.369   10.917  259.909   38.792  251.154   47.652  277.109   66.791  140.395   13.769  146.365   18.702 -5.969620 23.22369 
1 1 1   13    6   29 o  200.774   10.104  507.787   50.496  537.484   70.429  476.371   72.438  205.810   13.783  193.380   15.121 12.42986 20.46012 
1 1 1   13    6   30 o  195.687   10.602  483.202   51.614  476.943   70.839  490.285   75.358  193.458   14.775  195.958   15.527 -2.499588 21.43338 
1 1 1   13    6   31 o   59.914   13.885   47.278   20.368   46.513   23.738   49.413   39.660   59.412   15.746   63.423   21.256 -4.010941 26.45284 
1 1 1   13    6   32 o  104.015   12.276  138.749   31.272  163.723   39.409   96.285   51.388  112.608   14.340   84.402   23.509 28.20600 27.53755 
1 1 1   13    6   33 o  148.023   15.792  283.768   57.473  306.531   64.235  192.394  128.696  153.464   17.050  115.341   38.281 38.12209 41.90660 
1 1 1   13    6   34 f  275.697   15.449  980.400  105.934  1050.55  121.676  760.685  215.333  284.330   17.218  223.626   40.030 60.70399 43.57573 
1 1 1   13    6   35 o   86.475   13.530   98.003   28.260  104.021   33.875   84.227   51.252   88.407   15.930   78.244   23.970 10.16328 28.78087 
1 1 1   13    6   36 o   84.165   13.973   93.599   28.339  105.609   33.839   65.398   51.854   88.895   15.824   70.536   24.296 18.35904 28.99423 
1 1 1   13    6   37 o   71.730   15.399   69.524   26.758   74.693   30.716   53.252   54.497   73.935   16.993   66.334   24.654 7.601120 29.94274 
1 1 1   13    6   38 o   52.246   16.161   36.222   23.233   36.925   26.080   33.519   51.145   53.108   17.213   58.837   23.347 -5.729031 29.00627 
1 1 1   13    6   39 o  105.150   22.743  159.565   57.980   66.753  110.315  194.989   68.153   78.759   33.097  115.423   24.408 -36.66422 41.12340 
1 1 1   13    6   40 o   48.581   16.755   29.858   24.664   24.796   27.597   49.946   54.976   47.009   17.530   63.913   24.536 -16.90319 30.15455 
1 1 1   13    6   41 o   74.640   17.078   78.369   31.142   69.459   35.800  106.083   63.138   69.361   19.730   82.317   26.789 -12.95636 33.27036 
1 1 1   13    7    0 o  324.756   11.879  1319.55   96.335  1340.43  136.288  1298.69  136.187  326.559   16.769  321.387   17.030 5.171753 23.90020 
1 1 1   13    7    1 o  954.873   29.152 11523.40  695.133 11492.26  983.072 11554.53  983.060  947.713   41.539  950.341   41.424 -2.627747 58.66375 
1 1 1   13    7    2 o  538.369   17.252  3634.32  231.939  3681.67  328.154  3587.05  327.868  540.740   24.302  533.691   24.601 7.048401 34.58043 
1 1 1   13    7    3 o  628.838   28.210  4993.52  442.993  5312.90  626.190  4673.53  626.783  644.204   39.110  602.950   41.888 41.25464 57.30816 
1 1 1   13    7    4 o  753.358   33.246  7199.03  625.445  7586.78  884.441  6811.16  884.583  766.435   46.430  724.591   49.178 41.84424 67.63309 
1 1 1   13    7    5 o  934.464   40.880 11168.17  953.939 11001.33  1348.16 11335.45  1349.99  913.862   59.398  928.385   58.530 -14.52258 83.39035 
1 1 1   13    7    6 o  958.062   29.022 11604.02  694.348 11791.61  982.277 11416.68  981.636  959.898   40.979  944.143   41.635 15.75525 58.41880 
1 1 1   13    7    7 o  375.077   13.164  1761.20  123.295  1737.02  174.553  1785.27  174.180  371.504   18.877  377.147   18.494 -5.642639 26.42715 
1 1 1   13    7    8 o  377.898   13.229  1788.04  124.838  1830.32  176.811  1746.01  176.284  381.829   18.543  372.401   19.020 9.427460 26.56324 
1 1 1   13    7    9 o  522.913   16.880  3430.41  220.421  3475.41  311.951  3385.55  311.493  525.103   23.790  518.213   24.071 6.890076 33.84311 
1 1 1   13    7   10 f  312.452   11.778  1221.96   91.896  1131.53  129.999  1312.29  129.923  299.728   17.444  323.449   16.085 -23.72153 23.72821 
1 1 1   13    7   11 o  290.918   11.238  1059.27   81.638  1056.06  115.740  1062.45  115.170  289.674   16.063  290.571   15.933 -0.8963928 22.62469 
1 1 1   13    7   12 o  434.668   14.494  2369.25  157.324  2380.12  222.810  2358.45  222.172  434.724   20.524  432.733   20.560 1.990448 29.05091 
1 1 1   13    7   13 o  573.350   18.227  4135.10  260.969  4170.79  369.379  4099.54  368.752  573.697   25.783  568.716   25.965 4.980286 36.59184 
1 1 1   13    7   14 o  160.558   9.1488  323.578   36.530  326.600   52.294  320.698   51.050  160.863   13.133  159.419   12.935 1.444260 18.43317 
1 1 1   13    7   15 o  340.322   12.367  1452.10  105.101  1420.87  149.059  1482.97  148.215  335.430   17.860  342.805   17.371 -7.375000 24.91393 
1 1 1   13    7   16 o  323.122   11.344  1308.67   91.535  1424.14  130.487  1196.79  128.438  336.512   15.528  307.856   16.770 28.65646 22.85513 
1 1 1   13    7   17 o  339.481   12.332  1446.25  104.547  1417.79  148.435  1474.26  147.275  334.751   17.821  341.492   17.327 -6.741272 24.85580 
1 1 1   13    7   18 o  448.253   17.796  2537.86  199.201  2470.55  244.483  2670.81  343.588  440.298   22.309  453.928   30.488 -13.62985 37.77809 
1 1 1   13    7   19 o   89.486   13.038  102.730   28.279  120.919   40.315   85.112   39.678   96.403   17.386   80.368   19.880 16.03534 26.41047 
1 1 1   13    7   20 o  307.126   16.175  1194.11  123.618  1117.74  174.613  1270.84  175.034  294.713   23.933  314.929   22.403 -20.21555 32.78201 
1 1 1   13    7   21 o  276.654   10.692  960.565   73.866  971.931  106.320  949.959  102.699  277.104   15.426  274.031   15.066 3.073486 21.56215 
1 1 1   13    7   22 o  160.399   9.1051  323.513   36.320  313.900   53.260  331.869   49.657  157.285   13.697  161.989   12.369 -4.703781 18.45536 
1 1 1   13    7   23 o   94.186   9.8435  112.480   22.810  113.947   34.394  111.329   30.476   93.849   15.196   93.072   13.507 0.7765045 20.33080 
1 1 1   13    7   24 o  207.616   9.4747  540.624   49.122  567.435   71.105  516.146   67.941  211.793   13.515  201.947   13.551 9.845886 19.13832 
1 1 1   13    7   25 f  121.744   9.3965  186.993   28.346  199.143   41.421  176.292   38.874  125.003   13.483  117.527   13.490 7.475899 19.07272 
1 1 1   13    7   26 o  165.990   13.204  349.319   54.279   0.0000   0.0000  349.319   54.279  ?   ?   165.990   13.204 0.000000 13.20401 
1 1 1   13    7   27 o   99.979   12.619  127.836   30.803  157.597   36.800   58.183   56.297  110.991   13.559   71.332   25.263 39.65817 28.67136 
1 1 1   13    7   28 o  230.230   9.6178  665.333   55.295  680.946   78.817  650.201   77.596  231.902   13.671  226.564   13.780 5.338074 19.41104 
1 1 1   13    7   29 o  224.737   15.012  641.943   83.762  730.674  129.057  577.362  110.103  237.527   22.008  211.227   21.158 26.30063 30.52890 
1 1 1   13    7   30 o  194.377   10.692  476.688   51.701  534.865   71.974  414.666   74.315  205.164   14.135  179.859   16.738 25.30507 21.90771 
1 1 1   13    7   31 o  112.053   11.003  159.641   30.391  163.680   39.324  153.649   47.892  112.800   14.280  108.207   18.381 4.592323 23.27652 
1 1 1   13    7   32 o  156.609   10.437  310.387   40.583  304.404   53.393  318.573   62.452  154.261   14.013  157.242   16.133 -2.980789 21.36963 
1 1 1   13    7   33 o   93.961   12.844  114.003   29.348  127.834   36.326   88.007   49.801   98.996   15.179   80.767   23.363 18.22914 27.86072 
1 1 1   13    7   34 o  205.966   11.195  538.959   57.364  595.381   75.929  463.929   87.559  215.408   14.195  188.043   18.902 27.36440 23.63888 
1 1 1   13    7   35 o  128.107   15.443  214.364   48.407  201.502   50.886  336.808  157.002  123.609   16.930  144.991   41.344 -21.38129 44.67564 
1 1 1   13    7   36 o   56.729   15.101   43.119   21.771   47.898   24.377   24.292   48.387   59.676   16.021   55.906   22.530 3.769691 27.64557 
1 1 1   13    7   37 o   65.130   15.135   57.254   24.147   54.297   27.854   66.198   48.447   63.176   17.195   70.169   23.493 -6.993595 29.11356 
1 1 1   13    7   38 o  120.127   13.429  188.842   39.595  216.224   48.520  134.256   68.506  127.690   15.537   95.008   27.378 32.68222 31.47940 
1 1 1   13    7   39 o   36.933   14.704   10.344   20.351  -3.8665   22.380   78.249   48.922   32.578   14.303   74.217   23.526 -41.63809 27.53230 
1 1 1   13    7   40 o  100.777   14.765  136.104   36.056  170.519   43.390   59.318   64.813  112.429   15.898   68.955   26.596 43.47359 30.98563 
1 1 1   13    7   41 o   87.474   24.595  116.139   55.968   52.288  117.281  134.968   63.688   75.354   32.920   93.302   26.237 -17.94869 42.09693 
1 1 1   13    8    0 o  170.322   9.7227  363.912   41.182  345.418   58.397  382.208   58.084  165.462   14.273  174.204   13.456 -8.742981 19.61605 
1 1 1   13    8    1 o  352.693   17.401  1560.20  153.258   0.0000   0.0000  1560.20  153.258  ?   ?   352.693   17.401 0.000000 17.40106 
1 1 1   13    8    2 o  300.382   15.801  1133.87  118.111  1133.87  118.111   0.0000   0.0000  300.382   15.801  ?   ?  0.000000 15.80143 
1 1 1   13    8    3 o  635.847   28.398  5108.29  450.917  5642.80  637.811  4574.19  637.575  663.917   38.638  595.686   43.154 68.23132 57.92320 
1 1 1   13    8    4 o  864.909   37.891  9539.29  818.382 10170.52  1157.66  8908.70  1157.07  883.109   52.736  823.670   56.598 59.43945 77.35872 
1 1 1   13    8    5 o  666.134   20.870  5576.61  347.164  5614.09  491.103  5539.18  490.826  666.210   29.520  661.697   29.704 4.513062 41.87774 
1 1 1   13    8    6 o  371.077   12.550  1723.42  116.299  1791.75  164.786  1655.61  164.157  377.939   17.460  363.235   18.098 14.70380 25.14724 
1 1 1   13    8    7 o  524.274   16.993  3447.44  222.475  3449.56  314.712  3445.31  314.543  523.248   24.085  522.926   24.087 0.3226318 34.06332 
1 1 1   13    8    8 o  711.303   22.160  6367.62  393.617  6325.07  556.720  6410.15  556.597  706.052   31.575  710.864   31.355 -4.811462 44.49865 
1 1 1   13    8    9 o  738.859   22.898  6877.02  422.482  6968.25  597.728  6785.93  597.231  740.501   32.324  730.586   32.736 9.914734 46.00510 
1 1 1   13    8   10 o  995.968   30.454 12592.40  757.426 12463.54  1071.12 12721.29  1071.21  982.375   43.663  992.823   43.207 -10.44843 61.42667 
1 1 1   13    8   11 o  383.484   13.335  1842.45  127.702  1840.26  180.783  1844.64  180.414  382.596   18.922  383.059   18.860 -0.4631042 26.71623 
1 1 1   13    8   12 o  960.548   29.528 11727.45  708.267 11802.60  1001.91 11652.38  1001.38  955.015   42.011  948.713   42.268 6.301392 59.59475 
1 1 1   13    8   13 o  496.595   16.266  3097.35  201.713  3082.33  285.533  3112.32  284.999  493.900   23.151  496.336   22.994 -2.436279 32.62956 
1 1 1   13    8   14 o  266.174   10.410  886.953   69.193  904.098   98.368  870.161   97.348  267.978   14.756  262.866   14.891 5.112274 20.96421 
1 1 1   13    8   15 o  242.856   9.8864  738.335   59.957  758.145   85.498  719.166   84.102  245.377   14.011  238.943   14.158 6.433167 19.91894 
1 1 1   13    8   16 o  530.800   17.211  3548.69  228.130  3541.47  323.015  3555.87  322.235  527.914   24.502  529.028   24.392 -1.113342 34.57346 
1 1 1   13    8   17 o  255.892   10.346  820.445   66.109  862.795   94.525  779.896   92.493  261.576   14.528  248.575   14.970 13.00066 20.86087 
1 1 1   13    8   18 o  517.060   16.883  3372.25  217.998  3376.58  308.811  3367.95  307.783  514.728   24.025  514.092   23.975 0.6364136 33.94095 
1 1 1   13    8   19 o  226.486   9.7743  642.872   55.281  673.969   79.581  613.875   76.850  231.060   13.856  220.449   14.033 10.61154 19.72104 
1 1 1   13    8   20 o  393.516   13.506  1948.32  132.722  2049.95  188.719  1848.87  186.692  402.220   18.789  381.234   19.677 20.98544 27.20700 
1 1 1   13    8   21 o  352.126   14.898  1563.42  131.004  1545.00  161.286  1599.15  224.586  348.626   18.593  351.881   25.737 -3.254974 31.75080 
1 1 1   13    8   22 o  175.943   12.552  391.265   54.786  406.870   78.075  376.127   76.897  178.374   17.764  171.322   18.255 7.052353 25.47196 
1 1 1   13    8   23 o  258.775   14.651  847.346   94.288  770.887  133.235  924.054  133.452  244.717   22.039  268.765   20.028 -24.04834 29.77946 
1 1 1   13    8   24 o  501.160   16.485  3178.21  206.311  3113.61  292.569  3242.11  290.974  492.512   23.788  502.925   23.169 -10.41312 33.20633 
1 1 1   13    8   25 o  168.912   9.1229  358.775   38.338  382.016   55.974  338.237   52.619  173.699   12.999  163.384   13.004 10.31418 18.38688 
1 1 1   13    8   26 o  415.446   14.236  2177.74  147.695  2152.13  209.990  2202.81  207.771  410.712   20.474  415.717   20.014 -5.005127 28.63155 
1 1 1   13    8   27 o  171.856   11.079  372.709   47.292  389.178   58.701  342.249   79.831  175.183   13.523  162.662   20.079 12.52101 24.20876 
1 1 1   13    8   28 o  196.800   9.6719  486.117   47.532  466.829   67.617  504.960   66.831  191.768   14.221  199.647   13.484 -7.879150 19.59733 
1 1 1   13    8   29 o  224.163   10.030  631.122   56.144  653.364   79.537  609.032   79.263  227.007   14.100  219.025   14.575 7.981735 20.27946 
1 1 1   13    8   30 o  327.988   11.883  1355.15   97.325  1340.84  137.544  1369.51  137.734  324.319   17.043  327.839   16.881 -3.520630 23.98831 
1 1 1   13    8   31 o  158.656   15.818  322.760   61.833  282.165  102.888  345.711   77.362  143.696   29.656  163.229   19.357 -19.53279 35.41415 
1 1 1   13    8   32 o  145.174   10.235  266.618   36.866  286.905   48.454  238.731   56.810  150.027   13.064  135.702   17.147 14.32500 21.55657 
1 1 1   13    8   33 o  189.542   10.785  454.840   50.835  464.639   68.241  442.622   76.197  190.550   14.449  185.218   16.652 5.332001 22.04677 
1 1 1   13    8   34 o  104.913   18.446  146.245   46.561  157.169   93.199  142.611   53.749  105.293   32.335  102.541   21.669 2.751160 38.92440 
1 1 1   13    8   35 o  117.646   11.499  177.333   33.350  185.251   41.428  162.752   56.217  119.507   14.157  109.395   21.345 10.11143 25.61324 
1 1 1   13    8   36 o  108.142   11.728  150.679   31.165  136.572   37.921  180.036   54.702  101.758   15.405  115.407   19.688 -13.64887 24.99833 
1 1 1   13    8   37 o  130.312   17.279  226.215   54.843  226.215   54.843   0.0000   0.0000  130.312   17.279  ?   ?  0.000000 17.27936 
1 1 1   13    8   38 f  197.516   12.193  502.912   59.844  513.329   74.076  483.339  101.539  197.922   15.102  187.094   22.164 10.82794 26.81987 
1 1 1   13    8   39 o  122.589   12.952  196.267   39.051  197.483   47.782  193.822   67.765  121.545   16.142  115.944   24.187 5.600517 29.07896 
1 1 1   13    8   40 o   48.001   16.469   28.840   23.815   26.376   27.023   37.405   50.387   47.774   17.428   59.437   23.303 -11.66361 29.09908 
1 1 1   13    8   41 o   69.391   17.138   67.224   29.521   84.855   34.755   21.551   55.939   77.649   18.235   56.190   23.588 21.45894 29.81449 
1 1 1   13    8   42 o   88.892   16.559  109.592   35.405  110.691   42.690  107.169   63.368   87.506   19.976   82.719   26.834 4.786995 33.45258 
1 1 1   13    9    0 o  410.226   18.877  2113.32  193.374   0.0000   0.0000  2113.32  193.374  ?   ?   410.226   18.877 0.000000 18.87661 
1 1 1   13    9    1 f  462.587   21.500  2691.40  248.365  2691.40  248.365   0.0000   0.0000  462.587   21.500  ?   ?  0.000000 21.50037 
1 1 1   13    9    2 f  791.654   24.312  7897.43  480.617  7830.83  679.653  7964.04  679.738  784.598   34.689  791.366   34.396 -6.767883 48.85109 
1 1 1   13    9    3 o  642.059   27.759  5208.75  445.073  4582.88  626.915  5844.77  631.973  596.207   42.384  675.832   37.595 -79.62512 56.65480 
1 1 1   13    9    4 o  567.618   25.663  4063.94  363.758  3999.42  513.223  4129.06  515.649  558.920   36.980  568.107   36.541 -9.186768 51.98835 
1 1 1   13    9    5 o  493.156   15.714  3048.32  193.519  3102.62  273.902  2994.20  273.452  496.601   22.087  487.785   22.449 8.815643 31.49296 
1 1 1   13    9    6 o  1004.83   30.688 12795.02  770.043 12734.95  1089.00 12855.09  1089.01  994.882   43.833  999.706   43.623 -4.823853 61.84079 
1 1 1   13    9    7 f  517.274   16.741  3356.09  216.246  3389.54  305.926  3322.68  305.711  518.684   23.619  513.499   23.841 5.184875 33.55957 
1 1 1   13    9    8 f  188.867   9.2740  446.023   43.739  477.251   62.181  415.438   61.538  194.817   12.854  181.614   13.669 13.20319 18.76331 
1 1 1   13    9    9 o  619.659   19.614  4826.63  303.500  4764.79  429.246  4888.45  429.181  613.543   28.016  621.563   27.651 -8.020081 39.36330 
1 1 1   13    9   10 o  1051.81   32.003 14074.53  840.568 14227.11  1189.02 13922.09  1188.47  1047.65   45.449  1035.94   45.941 11.70605 64.62328 
1 1 1   13    9   11 o  362.052   12.502  1641.69  113.030  1710.72  160.260  1573.37  159.440  369.059   17.389  353.389   18.128 15.67035 25.12013 
1 1 1   13    9   12 o  667.952   20.823  5621.30  347.331  5769.27  491.599  5473.80  490.803  673.756   29.218  655.979   29.962 17.77667 41.84998 
1 1 1   13    9   13 o  642.020   20.232  5194.19  324.364  5268.65  459.000  5119.91  458.439  643.685   28.555  634.378   28.939 9.306396 40.65557 
1 1 1   13    9   14 o  279.467   10.682  977.899   74.545  981.195  105.871  974.658  104.981  279.125   15.247  278.202   15.168 0.9222717 21.50682 
1 1 1   13    9   15 o  415.982   13.660  2171.36  141.899  2229.46  201.208  2113.88  200.147  420.500   19.161  409.367   19.579 11.13278 27.39503 
1 1 1   13    9   16 o  262.095   10.723  860.608   70.180  819.930   99.618  900.691   98.886  254.857   15.730  267.307   14.873 -12.45023 21.64777 
1 1 1   13    9   17 o  284.457   11.164  1014.39   79.303  977.084  112.725  1050.94  111.588  278.080   16.304  288.584   15.542 -10.50424 22.52495 
1 1 1   13    9   18 o  489.280   16.163  3016.82  197.479  2985.30  279.756  3048.12  278.801  484.389   23.128  489.586   22.804 -5.197052 32.47958 
1 1 1   13    9   19 o  325.353   11.789  1328.80   95.779  1392.89  136.479  1266.61  134.448  332.266   16.449  316.274   17.087 15.99231 23.71727 
1 1 1   13    9   20 o  662.027   20.845  5571.14  344.611  5744.36  488.131  5399.02  486.579  666.474   29.329  645.469   30.187 21.00519 42.08912 
1 1 1   13    9   21 o  155.762   8.9922  305.010   34.828  304.516   51.322  305.432   47.417  154.995   13.391  155.408   12.319 -0.4135437 18.19590 
1 1 1   13    9   22 o  216.876   9.9361  589.938   53.812  547.185   77.469  629.801   74.804  207.742   15.035  223.265   13.480 -15.52286 20.19302 
1 1 1   13    9   23 o  327.742   11.974  1350.32   97.999  1365.03  139.832  1336.12  137.384  327.933   17.135  324.470   17.015 3.463287 24.14760 
1 1 1   13    9   24 o  239.652   14.115  726.548   84.099  700.324  118.848  752.848  119.020  233.566   20.587  242.462   19.831 -8.895264 28.58495 
1 1 1   13    9   25 o  180.490   12.634  411.970   56.585  329.829   79.436  496.586   80.625  159.660   20.389  197.419   16.506 -37.75935 26.23284 
1 1 1   13    9   26 o  322.090   16.865  1317.69  135.180  1347.96  190.036  1286.68  192.331  323.135   23.716  315.266   24.625 7.869873 34.18871 
1 1 1   13    9   27 f  251.848   10.631  796.694   66.859  759.276   95.532  832.615   93.603  244.515   15.729  256.368   14.682 -11.85286 21.51667 
1 1 1   13    9   28 o  391.190   13.935  1931.12  136.126  1963.95  193.158  1898.73  191.871  391.931   19.800  385.256   20.013 6.675568 28.15217 
1 1 1   13    9   29 o  136.029   9.5932  233.399   32.378  221.619   45.279  245.725   46.318  131.775   13.973  138.920   13.523 -7.145569 19.44537 
1 1 1   13    9   30 o  212.898   10.614  569.837   56.431  587.347   79.244  551.823   80.378  214.949   14.854  208.130   15.578 6.819702 21.52497 
1 1 1   13    9   31 o   85.469   11.310   93.551   23.547   77.106   29.494  122.452   39.101   76.563   15.945   96.808   16.782 -20.24529 23.14911 
1 1 1   13    9   32 o   76.478   12.413   75.705   22.893   68.730   27.943   89.945   39.925   72.141   15.936   82.089   19.722 -9.948105 25.35600 
1 1 1   13    9   33 f  109.761   18.368  158.667   48.566  113.077   91.636  176.474   57.270   93.544   32.293  115.177   20.672 -21.63325 38.34264 
1 1 1   13    9   34 o  108.640   11.246  150.812   30.068  157.876   37.549  138.189   50.197  110.536   13.912  101.380   20.532 9.156166 24.80108 
1 1 1   13    9   35 o  150.898   10.168  289.112   38.091  279.052   48.637  305.072   61.260  147.349   13.363  153.102   16.273 -5.752533 21.05650 
1 1 1   13    9   36 o   85.792   13.043   96.087   27.063  103.885   32.247   77.509   49.771   88.670   15.105   75.598   23.698 13.07150 28.10285 
1 1 1   13    9   37 o   91.998   13.479  110.900   30.047  122.263   36.099   85.276   54.210   95.969   15.599   78.455   24.753 17.51362 29.25848 
1 1 1   13    9   38 o  131.209   12.069  222.456   39.103  226.260   48.007  214.958   67.402  131.197   14.918  124.024   22.595 7.173042 27.07598 
1 1 1   13    9   39 o   74.757   18.745   77.509   34.929   77.509   34.929   0.0000   0.0000   74.757   18.745  ?   ?  0.000000 18.74460 
1 1 1   13    9   40 o  106.633   13.370  149.698   34.818  141.674   41.734  168.071   63.155  102.153   16.955  107.486   24.122 -5.332527 29.48416 
1 1 1   13    9   41 o   60.192   16.836   50.014   26.297   42.069   30.776   71.503   50.617   56.263   18.723   71.083   24.012 -14.82093 30.44888 
1 1 1   13    9   42 o  103.229   15.084  144.124   37.738  177.195   46.161   77.477   65.529  113.683   16.763   73.498   27.089 40.18520 31.85658 
1 1 1   13   10    0 o  577.106   20.209  4188.23  291.236  3900.34  355.750  4773.23  507.128  555.718   25.635  611.511   33.335 -55.79388 42.05254 
1 1 1   13   10    1 o  272.276   12.102  927.948   82.282  876.009   99.620  1039.44  145.956  263.927   15.179  286.783   20.516 -22.85684 25.52098 
1 1 1   13   10    2 o  994.540   30.238 12538.76  750.966 12493.23  1061.96 12584.29  1062.09  985.060   43.171  988.752   43.015 -3.691284 60.94332 
1 1 1   13   10    3 o  691.017   21.579  6007.96  372.368  5962.81  526.589  6053.12  526.627  685.722   30.752  690.975   30.520 -5.253235 43.32644 
1 1 1   13   10    4 o  1059.98   46.531 14528.46  1231.65 15373.32  1742.41 13684.73  1741.23  1070.90   65.470  1005.55   69.775 65.35431 95.68084 
1 1 1   13   10    5 o  833.018   36.716  8857.09  763.771  9135.75  1079.80  8578.08  1080.47  835.527   52.010  808.210   53.843 27.31702 74.86114 
1 1 1   13   10    6 o  512.374   16.676  3293.13  213.368  3163.87  301.523  3422.78  301.974  500.958   24.103  521.237   23.200 -20.27884 33.45415 
1 1 1   13   10    7 o  763.792   23.255  7351.13  443.549  7213.28  627.162  7489.07  627.383  752.973   33.354  767.495   32.735 -14.52216 46.73381 
1 1 1   13   10    8 o  523.834   16.680  3442.90  218.191  3494.46  308.708  3391.43  308.430  526.487   23.481  518.595   23.816 7.891479 33.44498 
1 1 1   13   10    9 o  332.258   12.246  1382.16  101.607  1395.72  143.815  1368.64  143.572  332.981   17.356  329.703   17.501 3.277374 24.64731 
1 1 1   13   10   10 o  771.328   23.202  7505.03  446.914  7708.96  632.376  7301.55  631.689  777.904   32.554  756.658   33.431 21.24536 46.66245 
1 1 1   13   10   11 o  959.321   29.472 11692.78  706.035 11837.21  998.813 11548.54  998.156  956.903   41.799  944.767   42.308 12.13544 59.47375 
1 1 1   13   10   12 o  606.448   18.817  4627.06  284.965  4752.10  403.328  4502.41  402.677  612.358   26.376  595.821   27.064 16.53693 37.79055 
1 1 1   13   10   13 o  578.633   18.422  4213.26  266.187  4273.48  376.722  4153.22  376.170  580.523   25.987  572.180   26.327 8.342285 36.99209 
1 1 1   13   10   14 o  268.618   10.967  903.637   73.566  863.435  104.285  943.460  103.792  261.648   16.038  273.674   15.248 -12.02631 22.12957 
1 1 1   13   10   15 o  697.702   21.896  6156.97  381.493  6138.30  539.733  6175.61  539.291  692.067   31.231  694.237   31.107 -2.169983 44.07978 
1 1 1   13   10   16 o  334.745   11.942  1405.02   99.828  1393.49  141.556  1416.42  140.805  332.202   17.122  334.981   16.887 -2.779449 24.04840 
1 1 1   13   10   17 o  293.308   11.416  1078.71   83.614  1031.36  118.651  1125.42  117.849  285.636   16.707  298.595   15.862 -12.95905 23.03756 
1 1 1   13   10   18 o  600.055   19.092  4553.99  286.086  4588.08  405.028  4520.04  404.147  598.425   27.103  593.889   27.251 4.536316 38.43463 
1 1 1   13   10   19 o  410.768   14.021  2122.73  143.824  2164.30  204.097  2081.72  202.707  413.234   19.778  405.196   20.033 8.038452 28.15163 
1 1 1   13   10   20 o  426.009   14.396  2285.43  153.152  2327.40  217.366  2244.04  215.822  428.097   20.333  420.280   20.564 7.816925 28.91887 
1 1 1   13   10   21 o  474.675   15.609  2843.29  185.027  2877.68  262.504  2809.34  260.839  475.011   22.130  469.279   22.258 5.732025 31.38739 
1 1 1   13   10   22 o  130.505   8.7148  214.334   28.238  255.333   42.395  181.642   37.858  142.029   12.068  119.483   12.892 22.54575 17.65902 
1 1 1   13   10   23 o  245.557   10.188  756.575   62.475  738.699   90.012  773.190   86.781  241.501   15.000  247.294   14.111 -5.792816 20.59419 
1 1 1   13   10   24 o  211.242   9.5093  559.616   50.163  601.313   72.983  522.280   69.061  218.086   13.467  203.148   13.693 14.93727 19.20595 
1 1 1   13   10   25 o   79.646   12.493   81.701   24.031  172.033   64.601   67.195   25.889  113.852   23.501   71.657   14.951 42.19466 27.85412 
1 1 1   13   10   26 o  308.711   13.900  1201.67  107.157  1265.49  132.129  1079.03  183.163  315.660   16.823  288.120   25.728 27.54071 30.73991 
1 1 1   13   10   27 f  262.368   15.124  872.574   98.669  942.227  138.130  800.005  140.993  270.990   20.565  248.744   22.957 22.24590 30.82160 
1 1 1   13   10   28 o  263.459   15.606  881.054  102.216  995.892  142.365  758.865  146.851  278.516   20.616  241.433   24.705 37.08307 32.17698 
1 1 1   13   10   29 o  132.922   9.5271  222.859   31.413  186.432   44.180  260.108   44.675  120.535   15.002  143.147   12.627 -22.61167 19.60916 
1 1 1   13   10   30 o  113.163   11.150  162.606   31.100  180.143   42.547  142.486   45.574  118.482   14.696  104.383   18.142 14.09903 23.34742 
1 1 1   13   10   31 o  107.403   11.031  146.656   29.166  165.546   38.794  122.098   44.234  113.608   13.969   96.163   19.094 17.44508 23.65807 
1 1 1   13   10   32 o  101.851   11.234  132.249   28.098  147.879   36.333  108.995   44.317  107.225   13.896   90.423   20.143 16.80138 24.47105 
1 1 1   13   10   33 o  211.118   9.9139  561.083   52.266  545.416   71.281  579.300   76.865  206.901   13.877  213.055   14.534 -6.153824 20.09473 
1 1 1   13   10   34 o  134.552   9.5197  229.157   31.780  186.226   40.457  298.330   51.354  120.291   13.713  152.624   13.617 -32.33336 19.32551 
1 1 1   13   10   35 o  181.326   15.832  425.219   70.967  433.458  120.217  420.811   87.922  176.863   28.164  178.547   20.067 -1.684647 34.58163 
1 1 1   13   10   36 o  157.818   11.359  317.922   44.466  323.378   57.216  309.602   70.661  158.045   14.664  152.843   18.917 5.201218 23.93551 
1 1 1   13   10   37 o  102.806   12.143  136.736   30.571  123.858   37.281  163.168   53.414   96.546   16.025  109.391   20.301 -12.84421 25.86370 
1 1 1   13   10   38 o   92.079   13.099  111.039   29.271  104.493   35.408  125.168   52.020   88.052   16.714   94.311   22.418 -6.258453 27.96305 
1 1 1   13   10   39 o   81.165   14.091   87.617   27.524   72.803   32.491  125.271   51.799   72.720   17.991   93.976   22.391 -21.25624 28.72346 
1 1 1   13   10   40 o   45.288   15.910   24.548   22.290   17.850   25.444   46.648   46.218   43.263   16.670   61.840   22.757 -18.57731 28.20940 
1 1 1   13   10   41 o   28.838   13.240 -14.0604   21.736 -14.0604   21.736   0.0000   0.0000   28.838   13.240  ?   ?  0.000000 13.24042 
1 1 1   13   10   42 o  152.745   13.448  307.702   50.773  303.073   63.247  316.092   85.147  149.052   17.315  146.857   24.051 2.194519 29.63519 
1 1 1   13   11    0 o  579.840   26.091  4253.26  377.790  4253.26  377.790   0.0000   0.0000  579.840   26.091  ?   ?  0.000000 26.09106 
1 1 1   13   11    1 o  244.925   12.430  753.088   75.773  797.533   92.030  659.541  133.515  251.802   14.700  227.417   23.866 24.38454 28.02974 
1 1 1   13   11    2 o  594.902   21.891  4457.45  325.207  4561.85  398.006  4247.72  564.100  600.610   26.537  573.878   39.605 26.73267 47.67353 
1 1 1   13   11    3 o  501.162   19.027  3156.33  238.125  3237.04  291.342  2993.89  413.298  506.773   23.022  483.415   34.462 23.35760 41.44464 
1 1 1   13   11    4 o  859.454   37.684  9455.18  808.790 10352.64  1144.44  8559.71  1143.17  888.368   51.813  803.170   57.375 85.19788 77.30727 
1 1 1   13   11    5 o  570.126   26.010  4107.18  370.312  4540.25  523.292  3672.76  524.111  595.472   35.349  533.633   39.613 61.83868 53.09221 
1 1 1   13   11    6 o  967.984   29.652 11883.18  716.764 11917.86  1013.75 11848.50  1013.56  961.787   42.209  958.900   42.328 2.886353 59.77647 
1 1 1   13   11    7 o  516.199   16.749  3344.00  215.901  3225.29  305.167  3462.96  305.494  505.566   24.172  524.048   23.344 -18.48175 33.60405 
1 1 1   13   11    8 o  968.133   29.624 11894.39  716.195 11895.46  1012.90 11893.31  1012.81  960.221   42.242  960.134   42.242 0.8715820E-01 59.73911 
1 1 1   13   11    9 o  446.960   14.956  2505.12  166.936  2497.82  236.134  2512.42  236.031  445.337   21.233  446.650   21.162 -1.313110 29.97794 
1 1 1   13   11   10 o  756.476   23.458  7224.26  443.135  7265.92  626.820  7182.64  626.555  754.487   33.269  750.060   33.451 4.426453 47.17856 
1 1 1   13   11   11 o  730.781   22.730  6740.77  414.806  6741.81  586.740  6739.73  586.507  726.836   32.327  726.727   32.319 0.1080933 45.71094 
1 1 1   13   11   12 o  580.365   18.174  4236.60  263.386  4387.36  372.836  4086.41  372.132  588.558   25.367  567.730   26.249 20.82861 36.50334 
1 1 1   13   11   13 f  777.175   24.030  7645.58  466.371  7771.66  659.880  7519.76  659.217  778.297   33.952  765.248   34.497 13.04865 48.40218 
1 1 1   13   11   14 o  336.087   12.398  1415.91  104.052  1384.74  147.396  1446.88  146.908  331.191   17.888  338.655   17.431 -7.463684 24.97635 
1 1 1   13   11   15 o  439.449   14.857  2426.01  163.040  2361.74  230.710  2490.12  230.436  432.182   21.377  443.924   20.787 -11.74216 29.81740 
1 1 1   13   11   16 o  598.012   19.071  4514.34  284.802  4516.21  403.019  4512.47  402.523  594.830   27.132  594.595   27.109 0.2350464 38.35440 
1 1 1   13   11   17 o  222.563   10.176  620.594   56.554  544.292   80.337  695.554   79.627  207.380   15.628  234.916   13.632 -27.53571 20.73813 
1 1 1   13   11   18 o  658.076   20.533  5489.00  337.433  5612.32  477.721  5366.23  476.686  660.576   28.960  645.529   29.571 15.04681 41.39005 
1 1 1   13   11   19 o  385.985   13.457  1873.28  129.710  1875.79  184.005  1870.80  182.875  384.871   19.145  384.385   19.052 0.4858398 27.00960 
1 1 1   13   11   20 o  315.880   11.473  1252.66   90.499  1280.88  128.985  1225.29  127.008  318.140   16.290  311.112   16.406 7.027924 23.11998 
1 1 1   13   11   21 o  345.739   12.310  1502.42  106.278  1556.01  151.327  1450.27  149.295  350.730   17.278  338.039   17.748 12.69125 24.76927 
1 1 1   13   11   22 o  412.778   13.601  2145.37  140.193  2304.42  199.527  1990.30  197.021  426.203   18.747  395.172   20.031 31.03052 27.43517 
1 1 1   13   11   23 o  158.613   8.9258  316.290   35.210  340.640   52.234  296.012   47.668  164.042   12.854  152.894   12.597 11.14822 17.99739 
1 1 1   13   11   24 o  132.444   8.8958  220.844   29.251  251.889   45.127  198.348   38.414  140.878   12.973  124.959   12.477 15.91860 17.99953 
1 1 1   13   11   25 o  255.242   11.653  818.941   74.276  831.327   92.350  796.253  124.993  256.300   14.488  249.224   20.259 7.076187 24.90679 
1 1 1   13   11   26 o  234.404   9.7965  689.390   57.344  788.774   83.207  599.487   79.139  249.859   13.384  217.457   14.659 32.40228 19.85006 
1 1 1   13   11   27 o  148.582   9.1454  277.881   33.768  283.564   49.436  272.910   46.234  149.422   13.391  146.683   12.749 2.739136 18.48923 
1 1 1   13   11   28 o  215.475   10.385  583.079   55.882  612.005   80.524  556.205   77.614  219.632   14.768  209.293   14.949 10.33888 21.01292 
1 1 1   13   11   29 o  190.906   11.100  459.709   52.687  462.831   64.805  453.623   90.489  191.059   13.673  187.644   19.601 3.414673 23.89853 
1 1 1   13   11   30 o  194.888   15.258  483.541   73.663  616.015   98.702  316.991  110.671  219.284   18.189  153.011   30.037 66.27252 35.11459 
1 1 1   13   11   31 o  140.785   11.624  251.251   40.501  293.726   60.971  217.708   54.182  151.251   16.406  129.785   17.137 21.46620 23.72384 
1 1 1   13   11   32 o  182.145   10.537  418.833   47.722  399.606   65.692  440.317   69.441  176.897   15.013  185.723   15.104 -8.825882 21.29559 
1 1 1   13   11   33 o   99.999   10.892  127.491   26.759  111.563   33.886  153.881   43.617   92.529   15.193  108.658   16.601 -16.12925 22.50388 
1 1 1   13   11   34 o  172.752   10.772  378.074   46.237  415.422   61.764  330.462   69.736  180.298   13.823  159.434   17.821 20.86403 22.55346 
1 1 1   13   11   35 o  320.287   13.592  1306.76  108.708  1387.74  149.844  1216.77  157.949  326.898   18.431  304.357   20.909 22.54031 27.87246 
1 1 1   13   11   36 o  310.031   12.179  1222.97   94.294  1226.38  127.193  1218.81  140.501  307.599   16.620  305.306   18.516 2.293793 24.88150 
1 1 1   13   11   37 o  152.223   16.475  304.088   61.625  320.654  113.883  297.229   73.281  147.397   31.868  148.685   20.265 -1.288055 37.76553 
1 1 1   13   11   38 f  116.668   18.443  183.344   51.947  204.101  107.726  177.055   59.296  114.527   34.683  113.062   21.792 1.464546 40.96084 
1 1 1   13   11   39 o   65.571   15.466   58.213   24.914   72.048   29.946   27.107   44.905   72.694   16.829   55.109   21.873 17.58531 27.59808 
1 1 1   13   11   40 o   43.193   15.466   21.461   21.156   13.239   24.570   45.035   41.604   40.801   16.185   60.289   21.678 -19.48761 27.05307 
1 1 1   13   11   41 o   83.424   15.060   93.813   30.220   89.649   36.643  102.669   53.435   80.140   18.659   83.787   24.190 -3.647301 30.55008 
1 1 1   13   11   42 o   62.258   17.518   53.884   28.383   54.258   33.792   52.988   52.304   62.517   19.516   64.564   24.122 -2.046814 31.02780 
1 1 1   13   12    0 o  200.362   11.731  504.444   58.438  533.291   70.313  440.012  105.084  205.792   13.762  185.251   23.226 20.54048 26.99705 
1 1 1   13   12    1 o  203.972   11.596  522.597   58.820  550.385   70.828  460.841  105.589  209.109   13.638  189.789   22.731 19.32004 26.50891 
1 1 1   13   12    2 o  188.312   10.846  445.284   50.789  430.885   60.820  478.465   92.323  184.970   13.255  194.090   19.304 -9.120087 23.41700 
1 1 1   13   12    3 o  469.942   16.978  2773.14  199.246  2604.04  243.200  3118.34  347.474  454.628   21.422  495.105   28.221 -40.47726 35.43073 
1 1 1   13   12    4 o  181.257   10.982  412.676   49.475  380.810   59.382  485.005   89.463  173.777   13.797  195.577   18.539 -21.79964 23.11007 
1 1 1   13   12    5 o  202.113   14.401  514.654   72.207  685.055   99.918  328.389  104.465  232.930   17.301  158.880   27.315 74.04994 32.33308 
1 1 1   13   12    6 o  965.969   29.594 11848.92  713.873 12067.87  1009.84 11630.20  1009.30  966.814   41.827  948.531   42.611 18.28314 59.70913 
1 1 1   13   12    7 o  293.068   10.953  1074.93   80.155  1081.41  113.396  1068.46  113.318  293.194   15.543  291.417   15.629 1.776215 22.04199 
1 1 1   13   12    8 o  448.926   14.942  2527.60  167.502  2574.89  236.953  2480.36  236.813  452.128   20.987  443.678   21.374 8.449799 29.95508 
1 1 1   13   12    9 o  407.897   13.952  2085.75  142.113  2080.70  200.981  2090.81  200.977  406.579   19.795  407.574   19.746 -0.9950867 27.96017 
1 1 1   13   12   10 o  217.742   9.2232  593.053   50.150  627.176   71.128  559.321   70.720  223.367   12.805  210.813   13.505 12.55447 18.61056 
1 1 1   13   12   11 o  811.255   25.114  8333.33  508.775  8455.92  719.770  8210.92  719.262  811.575   35.515  799.412   36.030 12.16370 50.59150 
1 1 1   13   12   12 o  213.970   8.6995  572.663   46.483  620.792   66.172  525.776   65.311  222.284   11.965  204.408   12.861 17.87616 17.56574 
1 1 1   13   12   13 f  705.337   21.523  6283.82  379.104  6541.37  536.626  6027.21  535.643  715.775   30.022  686.438   31.248 29.33691 43.33339 
1 1 1   13   12   14 o  540.780   17.525  3681.44  236.657  3704.05  334.874  3658.88  334.493  540.226   24.823  536.878   24.949 3.348450 35.19458 
1 1 1   13   12   15 o  332.895   11.557  1389.00   96.075  1448.48  136.195  1330.08  135.549  339.342   16.072  324.647   16.777 14.69434 23.23332 
1 1 1   13   12   16 o  485.264   16.064  2963.88  194.660  2960.36  275.441  2967.39  275.142  483.010   22.836  483.601   22.783 -0.5905762 32.25788 
1 1 1   13   12   17 f  545.335   20.174  3764.32  274.734  3892.76  337.128  3510.39  474.033  552.816   24.421  517.291   36.939 35.52466 44.28197 
1 1 1   13   12   18 o  382.893   18.280  1852.89  174.786  2028.42  250.008  1685.07  244.454  397.681   25.307  361.537   27.277 36.14435 37.20859 
1 1 1   13   12   19 o  194.776   14.064  479.795   67.947  378.473   99.568  568.104   92.955  170.618   24.035  211.275   17.784 -40.65646 29.89945 
1 1 1   13   12   20 o  328.220   13.096  1354.76  107.341  1507.27  132.646  1065.40  182.708  345.738   15.364  287.089   25.759 58.64938 29.99320 
1 1 1   13   12   21 o  213.754   10.641  573.339   56.798  642.789   70.986  449.767   94.689  225.753   12.643  186.980   20.622 38.77356 24.18924 
1 1 1   13   12   22 f  636.452   19.512  5145.93  310.119  5449.02  439.677  4845.86  437.479  649.775   27.097  611.590   28.645 38.18512 39.43058 
1 1 1   13   12   23 o  270.355   10.679  917.549   72.096  934.005  103.354  901.953  100.619  271.586   15.302  266.905   15.159 4.680176 21.53921 
1 1 1   13   12   24 o  180.809   9.0148  409.801   40.703  456.051   60.401  371.327   55.090  189.938   12.809  171.272   12.977 18.66531 18.23400 
1 1 1   13   12   25 f  430.862   14.429  2341.97  155.253  2446.24  220.853  2240.10  218.292  438.204   20.183  419.049   20.860 19.15475 29.02571 
1 1 1   13   12   26 o  274.543   10.745  946.633   73.664  1006.17  105.974  890.974  102.468  281.853   15.112  265.068   15.548 16.78467 21.68206 
1 1 1   13   12   27 o  257.776   10.694  834.601   68.840  822.318   98.937  846.129   95.846  254.557   15.640  258.415   14.916 -3.858063 21.61229 
1 1 1   13   12   28 f  279.303   11.474  980.895   80.030  1044.40  114.770  920.793  111.655  286.802   16.090  269.067   16.700 17.73566 23.18993 
1 1 1   13   12   29 o  337.946   12.042  1437.49  101.627  1491.19  144.993  1385.64  142.485  342.861   16.935  329.943   17.354 12.91763 24.24783 
1 1 1   13   12   30 o  251.429   11.354  795.246   71.289  844.812  101.607  747.192  100.046  257.769   15.862  242.136   16.647 15.63281 22.99399 
1 1 1   13   12   31 o   88.533   11.566  100.314   24.960  128.298   33.246   64.165   37.786   99.890   13.688   70.044   20.376 29.84558 24.54692 
1 1 1   13   12   32 o  129.800   14.792  216.149   47.089  252.023   55.548  124.524   88.775  139.936   16.195   97.391   31.769 42.54504 35.65901 
1 1 1   13   12   33 f   97.564   16.329  124.382   38.378  158.729   42.314 -34.9110   91.125  110.644   15.760   62.047   27.942 48.59670 32.08052 
1 1 1   13   12   34 o   87.013   11.945   97.466   25.269   89.488   31.411  112.102   42.543   82.423   15.836   91.642   19.204 -9.219444 24.89172 
1 1 1   13   12   35 o  324.737   13.106  1340.54  106.277  1377.29  146.224  1299.39  154.734  326.139   18.024  315.643   19.730 10.49597 26.72331 
1 1 1   13   12   36 o   90.635   11.907  106.044   26.297  104.748   32.630  108.445   44.417   89.193   15.194   89.302   20.369 -0.1087265 25.41164 
1 1 1   13   12   37 o  169.234   11.567  366.071   48.591  329.527   61.138  428.736   80.061  159.016   15.597  180.372   18.016 -21.35555 23.82946 
1 1 1   13   12   38 f  125.973   11.113  203.630   34.600  165.433   43.031  273.501   58.199  111.853   15.849  144.011   16.480 -32.15810 22.86450 
1 1 1   13   12   39 o   67.295   21.321   61.409   40.188   53.843  106.586   62.663   43.390   78.150   32.667   68.158   22.209 9.991417 39.50128 
1 1 1   13   12   40 o   64.816   21.434   56.286   40.358  110.846  107.065   47.249   43.572   89.048   34.227   61.690   22.184 27.35862 40.78779 
1 1 1   13   12   41 o   58.410   16.511   46.506   25.154   61.836   30.496   13.879   44.490   66.838   17.909   50.498   21.106 16.34011 27.68040 
1 1 1   13   12   42 o   58.570   17.347   47.078   27.172   59.520   33.304   22.304   46.994   65.246   19.172   53.596   21.977 11.64946 29.16476 
1 1 1   13   12   43 o   97.374   24.354  142.851   59.067   0.0000   0.0000  142.851   59.067  ?   ?    97.374   24.354 0.000000 24.35384 
1 1 1   13   13    0 o  118.916   11.657  178.833   34.172  174.899   39.696  190.087   67.149  117.282   13.819  120.647   23.130 -3.364822 26.94382 
1 1 1   13   13    1 o  576.049   21.014  4185.95  302.288  4052.76  369.383  4456.03  525.987  565.223   26.170  587.557   36.023 -22.33447 44.52533 
1 1 1   13   13    2 o  406.802   16.259  2078.60  165.169  2104.97  201.577  2024.72  288.129  408.799   19.746  397.871   29.204 10.92776 35.25286 
1 1 1   13   13    3 o  543.789   20.262  3725.50  275.148  3681.95  336.353  3813.59  478.379  539.349   24.973  544.156   35.397 -4.806091 43.31984 
1 1 1   13   13    4 o  520.611   19.174  3410.99  249.278  3286.69  304.528  3663.43  433.977  509.923   23.915  534.618   32.663 -24.69504 40.48240 
1 1 1   13   13    5 o  387.405   18.878  1888.19  182.625  1837.09  256.166  1941.01  260.428  379.661   27.200  390.394   26.877 -10.73227 38.23893 
1 1 1   13   13    6 o  1017.51   45.163 13489.64  1147.56 14169.75  1623.04 12809.78  1622.75  1020.10   64.039  965.004   67.769 55.09576 93.24004 
1 1 1   13   13    7 o  172.702   11.188  374.961   47.989  379.796   57.584  363.968   86.825  173.562   13.390  168.658   21.075 4.903870 24.96896 
1 1 1   13   13    8 o  605.713   17.759  4612.44  268.624  4835.46  380.024  4389.73  379.761  618.243   24.615  588.670   25.834 29.57288 35.68311 
1 1 1   13   13    9 o  482.425   15.924  2922.34  191.841  2956.02  271.397  2888.70  271.210  483.853   22.462  478.252   22.709 5.601074 31.94095 
1 1 1   13   13   10 o  478.744   15.535  2877.62  185.721  2912.79  262.704  2842.47  262.594  480.352   21.901  474.456   22.163 5.895966 31.15851 
1 1 1   13   13   11 o  251.529   10.022  791.843   62.951  812.493   89.172  771.329   88.880  254.101   14.109  247.514   14.443 6.587448 20.19009 
1 1 1   13   13   12 o  248.903   9.7688  775.394   60.719  807.308   86.088  743.802   85.652  253.321   13.659  243.051   14.173 10.26991 19.68407 
1 1 1   13   13   13 o  366.331   11.570  1681.54  105.839  1779.06  150.088  1585.08  149.274  376.200   15.976  354.966   16.840 21.23407 23.21279 
1 1 1   13   13   14 o  602.523   18.261  4575.47  274.754  4762.53  388.893  4389.04  388.231  612.035   25.445  587.109   26.480 24.92590 36.72395 
1 1 1   13   13   15 o  457.186   16.417  2631.07  187.429  2938.71  230.604  2032.28  321.724  482.475   19.140  395.808   32.847 86.66733 38.01622 
1 1 1   13   13   16 o  555.023   24.781  3923.16  343.468  4265.19  488.122  3587.74  483.386  572.703   34.289  523.224   37.239 49.47937 50.62077 
1 1 1   13   13   17 o  527.759   24.696  3552.01  325.477  3276.54  461.382  3824.89  459.214  499.065   37.291  541.594   34.129 -42.52841 50.55062 
1 1 1   13   13   18 o  247.031   13.668  769.594   83.990  921.229  123.068  637.393  114.911  269.310   18.410  223.195   20.859 46.11557 27.82130 
1 1 1   13   13   19 f  251.803   15.425  802.154   96.524  666.543  139.303  927.391  133.869  226.948   24.995  269.661   20.023 -42.71269 32.02555 
1 1 1   13   13   20 o   66.237   15.642   57.551   25.459   46.535   47.271   62.052   30.216   64.876   23.130   68.743   17.544 -3.867943 29.03085 
1 1 1   13   13   21 o  180.410   13.806  412.180   61.724  331.593   91.555  479.326   83.572  159.369   23.729  193.866   17.450 -34.49715 29.45446 
1 1 1   13   13   22 o  656.372   29.202  5591.36  478.646  6085.21  679.875  5106.04  673.978  671.885   40.713  610.963   44.481 60.92181 60.30029 
1 1 1   13   13   23 o  192.466   18.443  474.093   87.556   0.0000   0.0000  474.093   87.556  ?   ?   192.466   18.443 0.000000 18.44293 
1 1 1   13   13   24 o  125.774   24.143  209.436   73.070  209.436   73.070   0.0000   0.0000  125.774   24.143  ?   ?  0.000000 24.14256 
1 1 1   13   13   25 o  332.531   17.161  1404.54  142.021  1475.71  205.959  1340.02  196.099  337.909   24.576  321.920   24.579 15.98877 34.75832 
1 1 1   13   13   26 o  407.377   15.873  2098.70  161.478  2166.57  198.802  1967.08  276.833  412.667   19.292  387.887   28.785 24.78021 34.65206 
1 1 1   13   13   27 o  427.874   14.418  2310.59  154.050  2258.07  219.210  2361.83  216.535  420.526   20.875  430.406   20.146 -9.880249 29.01077 
1 1 1   13   13   28 o  296.780   11.424  1107.42   84.666  1157.30  121.598  1060.47  117.957  301.924   16.187  288.910   16.417 13.01315 23.05536 
1 1 1   13   13   29 o  287.534   11.115  1039.36   79.806  1067.55  114.539  1012.76  111.259  289.967   15.878  282.417   15.840 7.550415 22.42821 
1 1 1   13   13   30 o  360.118   13.673  1636.77  122.957  1676.09  175.132  1598.54  172.670  361.954   19.447  353.370   19.645 8.583435 27.64271 
1 1 1   13   13   31 o   91.226   11.150  106.230   24.872  106.497   32.944  105.876   37.927   90.555   15.100   89.760   17.550 0.7950668 23.15187 
1 1 1   13   13   32 o  114.818   10.639  167.248   30.157  180.233   40.410  150.926   45.307  118.593   13.909  107.546   17.470 11.04701 22.33063 
1 1 1   13   13   33 o  115.906   10.263  170.375   29.399  164.570   38.581  178.413   45.397  113.155   13.949  117.410   15.892 -4.254402 21.14546 
1 1 1   13   13   34 o   51.747   14.054   35.134   18.631   33.146   21.426   41.296   37.729   50.840   15.484   59.295   20.707 -8.455006 25.85568 
1 1 1   13   13   35 o  234.274   17.347  709.869  100.760  778.489  122.505  566.364  177.157  243.869   20.301  197.261   37.331 46.60767 42.49381 
1 1 1   13   13   36 o  140.915   11.388  253.330   39.732  206.205   53.585  310.876   59.215  125.120   17.640  154.873   15.520 -29.75263 23.49517 
1 1 1   13   13   37 o  175.151   11.946  392.350   51.939  342.754   66.083  472.499   84.007  161.866   16.583  189.587   17.958 -27.72104 24.44356 
1 1 1   13   13   38 o   82.914   12.670   89.885   25.402   77.137   31.306  114.449   43.458   75.491   17.014   91.431   19.621 -15.93948 25.97041 
1 1 1   13   13   39 o  145.152   12.255  271.882   44.006  241.740   56.333  319.070   70.484  134.750   17.128  154.207   18.685 -19.45702 25.34779 
1 1 1   13   13   40 o   73.367   15.396   72.675   27.308   94.046   34.228   35.255   45.293   83.121   17.062   57.864   22.257 25.25724 28.04408 
1 1 1   13   13   41 o   72.134   15.754   70.802   27.584   78.442   34.676   57.637   45.517   75.114   18.588   65.872   22.758 9.242455 29.38453 
1 1 1   13   13   42 o   64.156   22.753   54.206   45.682   0.0000   0.0000   54.206   45.682  ?   ?    64.156   22.753 0.000000 22.75277 
1 1 1   13   14    0 o  389.513   15.641  1907.27  152.135  1877.13  185.180  1969.87  266.840  385.757   19.223  392.219   27.416 -6.461548 33.48432 
1 1 1   13   14    1 o  223.222   12.188  626.442   67.684  681.823   81.704  505.304  120.837  232.644   14.131  198.049   24.989 34.59485 28.70773 
1 1 1   13   14    2 o  253.114   12.559  803.151   79.385  931.753   96.458  533.211  139.749  272.103   14.245  202.736   28.382 69.36746 31.75607 
1 1 1   13   14    3 o  905.552   32.537 10506.99  735.763 10493.77  900.596 10533.52  1275.87  899.034   40.115  880.696   58.344 18.33887 70.80413 
1 1 1   13   14    4 f  245.978   12.525  760.276   76.679  842.434   93.088  586.871  135.237  258.698   14.467  213.593   25.883 45.10503 29.65210 
1 1 1   13   14    5 o  425.583   15.203  2273.92  161.568  2084.52  196.801  2665.50  282.972  406.778   19.374  458.039   24.832 -51.26151 31.49588 
1 1 1   13   14    6 o  447.654   21.223  2528.82  237.250  2528.09  333.602  2529.57  337.477  444.216   30.254  444.214   30.610 0.1739502E-02 43.03768 
1 1 1   13   14    7 o  270.131   12.035  914.242   81.187  863.824   98.436  1021.50  143.574  261.889   15.116  283.921   20.386 -22.03195 25.37865 
1 1 1   13   14    8 o  511.395   19.118  3293.98  244.151  3216.71  298.353  3450.61  424.796  504.190   23.697  518.013   33.011 -13.82303 40.63554 
1 1 1   13   14    9 o  267.417   12.479  896.292   83.336  896.215  101.190  896.454  146.919  266.727   15.255  265.421   22.375 1.306061 27.08077 
1 1 1   13   14   10 f  387.709   15.581  1888.30  150.855  1884.81  184.141  1895.43  263.060  386.768   19.066  385.045   27.540 1.722900 33.49577 
1 1 1   13   14   11 o  592.026   18.913  4416.94  279.613  4416.29  395.459  4417.59  395.406  589.222   26.876  589.312   26.869 -0.8959961E-01 38.00358 
1 1 1   13   14   12 o  163.886   9.7021  337.381   39.530  297.615   55.988  376.908   55.819  153.232   14.816  172.862   13.027 -19.62988 19.72882 
1 1 1   13   14   13 o  146.101   8.8722  268.092   32.216  291.253   45.851  245.510   45.276  151.927   12.188  139.269   13.175 12.65784 17.94806 
1 1 1   13   14   14 o  141.914   9.0332  253.093   31.846  273.965   45.324  232.743   44.755  147.267   12.441  135.513   13.401 11.75400 18.28564 
1 1 1   13   14   15 o  606.119   26.398  4689.63  399.552  5269.46  567.784  4120.84  562.359  635.731   35.912  558.675   40.586 77.05597 54.19344 
1 1 1   13   14   16 o  591.218   26.718  4471.02  394.459  4646.89  559.650  4297.40  556.067  594.583   37.890  570.657   39.260 23.92560 54.56178 
1 1 1   13   14   17 o  143.267   13.157  260.033   46.545  204.258   70.456  303.225   62.001  124.716   23.484  154.246   16.346 -29.52977 28.61302 
1 1 1   13   14   18 o  469.941   15.648  2783.82  183.636  2802.89  260.027  2764.84  259.375  469.308   22.188  466.073   22.286 3.235260 31.44734 
1 1 1   13   14   19 o  236.372   10.181  700.606   60.092  676.667   85.503  723.971   84.473  231.271   14.884  239.389   14.194 -8.117477 20.56707 
1 1 1   13   14   20 o  264.544   10.551  878.054   69.699  900.184   99.304  856.568   97.850  266.799   14.965  260.199   15.124 6.599548 21.27710 
1 1 1   13   14   21 o   93.917   9.3784  111.659   21.701  136.602   33.065   92.785   28.762  103.390   13.101   84.722   14.090 18.66772 19.23909 
1 1 1   13   14   22 o  523.009   16.940  3461.33  221.248  3493.28  313.663  3429.68  312.128  521.903   24.067  517.070   24.173 4.833130 34.11102 
1 1 1   13   14   23 o  154.557   9.2939  300.572   35.704  277.804   52.881  319.646   48.401  147.723   14.523  158.959   12.289 -11.23546 19.02436 
1 1 1   13   14   24 o  137.430   8.7914  237.678   30.013  271.238   45.164  211.135   40.164  146.307   12.481  128.927   12.638 17.38005 17.76180 
1 1 1   13   14   25 o  587.403   18.914  4385.80  277.440  4476.23  393.375  4296.30  391.351  588.219   26.780  575.951   27.210 12.26801 38.17819 
1 1 1   13   14   26 o  158.316   10.631  316.152   41.784  342.382   86.713  308.220   47.685  162.240   21.968  156.033   12.339 6.207474 25.19604 
1 1 1   13   14   27 o  267.164   15.265  904.874  101.422  976.242  151.392  846.764  136.609  275.270   22.213  256.495   21.527 18.77533 30.93283 
1 1 1   13   14   28 o  266.819   15.220  902.758  100.988  993.437  151.417  830.105  135.535  277.680   22.017  253.841   21.586 23.83929 30.83363 
1 1 1   13   14   29 f  207.606   14.568  547.062   75.047  583.807  119.166  522.910   96.612  212.057   22.865  201.670   19.424 10.38623 30.00187 
1 1 1   13   14   30 o  326.699   12.424  1344.56  101.360  1402.14  144.846  1289.32  141.888  331.724   17.548  317.914   17.946 13.80997 25.09946 
1 1 1   13   14   31 o  126.859   10.068  203.437   31.631  212.401   44.065  193.908   45.433  128.941   13.905  122.873   15.126 6.068680 20.54649 
1 1 1   13   14   32 o  296.556   10.659  1106.45   78.934  1164.76  112.653  1050.21  110.633  303.184   14.879  287.323   15.476 15.86047 21.46896 
1 1 1   13   14   33 o  122.189   10.902  189.532   32.915  219.960   44.403  152.417   49.040  131.108   13.768  107.579   18.947 23.52840 23.42079 
1 1 1   13   14   34 f   56.733   13.758   42.451   19.290   45.208   23.038   35.985   35.282   58.528   15.512   56.272   19.992 2.256409 25.30407 
1 1 1   13   14   35 o  134.251   10.731  229.038   35.674  264.529   46.791  179.770   55.130  143.734   13.183  116.331   19.680 27.40356 23.68716 
1 1 1   13   14   36 o   72.230   13.762   68.663   23.916   72.918   29.063   59.738   42.093   73.940   16.189   67.788   21.858 6.151360 27.20002 
1 1 1   13   14   37 o  125.211   16.827  206.433   51.282  206.433   51.282   0.0000   0.0000  125.211   16.827  ?   ?  0.000000 16.82686 
1 1 1   13   14   38 o  115.639   17.124  177.784   47.955  177.784   47.955   0.0000   0.0000  115.639   17.124  ?   ?  0.000000 17.12413 
1 1 1   13   14   39 o  163.110   11.571  341.543   46.825  311.463   59.571  390.175   75.744  153.954   15.716  171.217   17.984 -17.26334 23.88323 
1 1 1   13   14   40 o   71.779   15.314   69.523   26.613   77.165   33.094   55.534   44.774   74.943   17.925   65.309   22.571 9.633774 28.82304 
1 1 1   13   14   41 o   87.967   14.610  103.248   30.968   90.756   38.959  124.687   51.037   80.594   19.556   93.561   22.182 -12.96660 29.57173 
1 1 1   13   14   42 o   42.023   18.670  -7.9037   39.230   0.0000   0.0000  -7.9037   39.230  ?   ?    42.023   18.670 0.000000 18.67007 
1 1 1   13   15    0 o  147.056   19.750  278.085   70.693  278.085   70.693   0.0000   0.0000  147.056   19.750  ?   ?  0.000000 19.74959 
1 1 1   13   15    1 o  671.849   24.661  5740.48  413.741  5837.02  506.152  5546.09  718.256  674.502   30.050  645.706   44.822 28.79602 53.96320 
1 1 1   13   15    2 o  365.455   15.185  1678.83  138.584  1745.48  168.825  1541.16  242.656  372.101   18.169  346.220   28.314 25.88116 33.64233 
1 1 1   13   15    3 o  273.023   13.038  935.190   88.893  1067.55  108.123  659.138  156.150  291.115   14.923  225.572   28.347 65.54300 32.03524 
1 1 1   13   15    4 o  544.132   19.028  3733.57  258.551  3442.45  315.411  4329.90  451.416  520.890   24.248  580.372   31.263 -59.48212 39.56416 
1 1 1   13   15    5 o  360.000   14.906  1627.86  134.007  1606.70  163.196  1671.66  234.799  356.639   18.387  361.685   26.173 -5.046570 31.98635 
1 1 1   13   15    6 o  413.754   16.531  2153.06  170.798  2284.45  208.746  1886.94  297.079  425.558   19.643  382.581   31.372 42.97623 37.01382 
1 1 1   13   15    7 o  194.296   14.363  476.487   69.195  598.333   94.621  336.425  101.448  217.323   17.586  160.733   26.176 56.58984 31.53483 
1 1 1   13   15    8 o  340.931   14.163  1459.06  120.581  1404.74  146.819  1571.61  211.355  333.571   17.689  351.239   24.245 -17.66803 30.01210 
1 1 1   13   15    9 o  660.886   23.846  5537.48  393.548  5342.52  481.204  5931.26  683.900  646.395   29.811  673.090   40.882 -26.69482 50.59676 
1 1 1   13   15   10 o  256.118   11.399  821.981   72.908  739.658   87.962  1002.68  130.320  242.243   14.609  281.429   18.649 -39.18538 23.69020 
1 1 1   13   15   11 o  492.299   18.615  3055.92  228.847  3050.87  279.746  3066.14  397.894  490.686   22.830  487.090   32.905 3.595947 40.04943 
1 1 1   13   15   12 o  734.223   26.572  6871.32  487.202  6717.02  596.118  7181.73  845.504  721.898   33.068  734.289   46.348 -12.39063 56.93533 
1 1 1   13   15   13 o  338.473   12.400  1437.22  104.805  1518.95  148.445  1355.99  147.990  347.222   17.120  327.394   18.173 19.82773 24.96698 
1 1 1   13   15   14 o  292.490   11.488  1072.75   83.910  1077.84  118.763  1067.69  118.570  292.099   16.347  290.704   16.400 1.394440 23.15613 
1 1 1   13   15   15 o  335.129   16.594  1415.58  138.873  1543.41  199.343  1295.03  193.576  347.691   23.090  317.883   24.576 29.80844 33.72201 
1 1 1   13   15   16 o   91.694   12.879  107.642   28.676  147.250   49.504   87.640   35.180  106.281   19.366   81.768   17.739 24.51289 26.26237 
1 1 1   13   15   17 o  142.100   9.0913  253.950   32.092  234.400   45.819  272.776   44.962  135.851   13.693  146.861   12.375 -11.00963 18.45647 
1 1 1   13   15   18 o  397.458   13.580  1987.29  134.785  1978.26  190.891  1996.27  190.341  395.036   19.351  396.875   19.206 -1.838928 27.26365 
1 1 1   13   15   19 o  442.725   15.010  2470.99  165.948  2378.91  234.825  2562.85  234.547  431.568   21.861  448.856   20.925 -17.28772 30.26153 
1 1 1   13   15   20 o  394.475   13.634  1959.15  134.306  1984.77  190.469  1933.81  189.411  395.411   19.290  390.253   19.436 5.157898 27.38337 
1 1 1   13   15   21 o  270.219   10.479  916.346   70.713  970.189  101.066  864.708   98.974  276.996   14.663  261.329   15.232 15.66772 21.14320 
1 1 1   13   15   22 o  423.371   20.213  2281.67  213.702   0.0000   0.0000  2281.67  213.702  ?   ?   423.371   20.213 0.000000 20.21323 
1 1 1   13   15   23 o  335.987   17.993  1435.72  150.413  1435.72  150.413   0.0000   0.0000  335.987   17.993  ?   ?  0.000000 17.99255 
1 1 1   13   15   24 o  357.904   12.773  1612.44  114.158  1560.48  162.562  1662.99  160.349  350.014   18.666  362.115   17.732 -12.10043 25.74617 
1 1 1   13   15   25 o  405.704   13.641  2074.61  138.199  2138.39  196.875  2012.65  194.042  409.998   19.229  397.640   19.541 12.35736 27.41578 
1 1 1   13   15   26 o  172.029   8.9464  372.030   38.300  392.041   57.129  355.692   51.619  175.945   13.096  167.667   12.417 8.278458 18.04684 
1 1 1   13   15   27 o  118.793   9.0282  177.963   26.582  210.610   40.781  153.846   35.051  128.692   12.862  109.761   13.043 18.93159 18.31813 
1 1 1   13   15   28 o  292.197   11.286  1073.38   82.353  1058.48  118.309  1087.38  114.704  288.597   16.485  292.745   15.748 -4.147583 22.79827 
1 1 1   13   15   29 o   94.361   9.5581  112.870   22.212  113.934   32.764  111.966   30.215   93.931   14.430   93.318   13.346 0.6130524 19.65544 
1 1 1   13   15   30 o  200.367   9.7491  504.043   48.780  515.357   70.847  493.844   67.263  201.510   14.169  197.335   13.735 4.174438 19.73385 
1 1 1   13   15   31 o  177.352   14.718  400.590   64.596  397.535  108.629  402.261   80.344  173.224   25.908  176.741   18.477 -3.516632 31.82179 
1 1 1   13   15   32 o  159.701   14.107  325.098   55.682  483.575  102.921  259.516   66.209  192.655   21.775  141.218   19.278 51.43680 29.08307 
1 1 1   13   15   33 o  326.004   12.869  1343.43  104.766  1480.55  148.344  1206.97  147.979  340.044   17.529  306.039   19.464 34.00479 26.19414 
1 1 1   13   15   34 o  180.516   11.290  412.868   50.636  481.913   69.946  336.837   73.400  194.193   14.529  160.898   18.612 33.29520 23.61119 
1 1 1   13   15   35 o  139.090   10.637  245.639   36.665  236.685   48.609  257.457   55.846  135.524   14.593  140.934   16.160 -5.410233 21.77419 
1 1 1   13   15   36 o   95.891   12.307  118.611   28.789  139.436   36.354   83.586   47.147  103.514   14.458   78.509   22.738 25.00529 26.94575 
1 1 1   13   15   37 o  210.388   11.624  564.250   60.835  575.545   77.586  546.222   98.018  211.158   14.808  203.243   19.554 7.914536 24.52797 
1 1 1   13   15   38 o   86.283   13.013   97.311   27.167   98.379   33.965   95.413   45.266   85.711   16.467   82.967   21.627 2.744164 27.18283 
1 1 1   13   15   39 o  129.854   12.109  217.565   38.812  197.662   49.837  248.242   61.872  121.915   16.817  135.925   18.725 -14.00994 25.16857 
1 1 1   13   15   40 o  142.510   17.995  272.441   62.613  272.441   62.613   0.0000   0.0000  142.510   17.995  ?   ?  0.000000 17.99526 
1 1 1   13   15   41 o  106.344   13.577  148.633   35.233   96.417   45.606  225.934   55.490   82.417   21.817  129.486   17.618 -47.06911 28.04241 
1 1 1   13   16    0 o  162.240   14.522  333.821   58.211  389.086   78.899  267.802   86.236  174.501   18.383  142.826   25.094 31.67535 31.10690 
1 1 1   13   16    1 o  481.018   32.949  3012.08  393.391  3012.08  393.391   0.0000   0.0000  481.018   32.949  ?   ?  0.000000 32.94859 
1 1 1   13   16    2 o  241.094   12.472  731.488   74.829  798.536   90.240  583.900  133.884  251.607   14.422  212.439   25.764 39.16782 29.52641 
1 1 1   13   16    3 o  457.798   17.070  2641.52  195.147  2480.47  237.710  2974.42  341.760  442.405   21.517  480.965   28.583 -38.56033 35.77689 
1 1 1   13   16    4 o  512.277   19.516  3315.91  249.664  3431.76  305.190  3081.53  434.099  519.762   23.513  485.792   36.041 33.97012 43.03281 
1 1 1   13   16    5 o  177.941   11.363  398.504   50.229  416.849   59.818  354.642   92.494  181.749   13.271  165.698   22.972 16.05148 26.52966 
1 1 1   13   16    6 o  197.222   11.483  489.233   56.309  511.771   67.559  437.952  101.908  201.454   13.508  184.557   22.583 16.89684 26.31451 
1 1 1   13   16    7 o  460.247   21.993  2683.26  252.771  2810.02  355.702  2553.95  359.269  466.928   30.677  444.148   32.621 22.78040 44.77899 
1 1 1   13   16    8 o  578.708   26.398  4269.16  381.488  5103.13  539.568  3435.58  539.443  627.278   34.579  509.205   42.821 118.0731 55.03940 
1 1 1   13   16    9 o   98.901   11.889  124.397   28.774  129.404   33.287  109.599   57.228  100.626   13.595   91.308   24.562 9.317581 28.07342 
1 1 1   13   16   10 o  354.643   14.828  1581.01  131.314  1602.64  160.097  1536.54  229.546  356.037   18.066  346.035   26.773 10.00235 32.29798 
1 1 1   13   16   11 o  438.720   16.904  2424.88  185.189  2369.06  226.049  2538.80  322.940  432.615   20.924  444.073   29.286 -11.45837 35.99311 
1 1 1   13   16   12 o  501.019   18.947  3170.86  237.049  3123.20  289.621  3267.60  412.594  495.738   23.395  501.708   33.119 -5.970001 40.54845 
1 1 1   13   16   13 o  302.314   13.450  1148.12  101.539  1161.19  123.540  1120.91  178.259  303.156   16.380  295.728   24.355 7.427979 29.35063 
1 1 1   13   16   14 o  488.096   18.632  3011.12  227.103  3004.63  277.597  3024.26  394.914  486.080   22.869  481.957   33.012 4.122711 40.15946 
1 1 1   13   16   15 o  170.749   19.721  373.948   82.542  373.948   82.542   0.0000   0.0000  170.749   19.721  ?   ?  0.000000 19.72099 
1 1 1   13   16   16 o  285.782   15.603  1032.37  110.929  1043.02  159.802  1022.47  154.107  285.362   22.610  282.708   22.002 2.654266 31.54883 
1 1 1   13   16   17 o  192.903   9.1027  466.196   43.849  474.148   62.495  458.485   61.539  193.777   12.990  190.532   13.012 3.244537 18.38625 
1 1 1   13   16   18 o  685.898   21.678  5992.42  371.304  5921.51  525.172  6063.31  525.036  674.754   31.168  683.125   30.778 -8.370911 43.80299 
1 1 1   13   16   19 o  336.153   11.653  1419.47   97.816  1485.40  138.852  1354.51  137.819  342.904   16.215  326.854   16.943 16.05054 23.45240 
1 1 1   13   16   20 o  188.934   9.2323  447.458   43.558  461.265   62.436  434.366   60.798  190.996   13.171  185.307   13.225 5.688370 18.66513 
1 1 1   13   16   21 o  411.052   13.564  2128.16  139.229  2181.16  197.532  2075.83  196.272  414.378   19.089  404.118   19.449 10.25992 27.25200 
1 1 1   13   16   22 o  211.294   9.5809  559.933   50.553  577.161   72.744  543.842   70.303  213.594   13.711  207.322   13.656 6.271637 19.35105 
1 1 1   13   16   23 o  207.387   9.0744  539.215   46.995  589.892   68.181  493.348   64.864  216.128   12.688  197.485   13.229 18.64307 18.33064 
1 1 1   13   16   24 o  335.504   11.973  1415.70  100.311  1425.40  143.090  1406.34  140.663  334.955   17.165  332.761   16.984 2.193573 24.14719 
1 1 1   13   16   25 o  310.661   11.163  1212.78   86.600  1307.13  124.337  1123.88  120.686  321.572   15.484  297.556   16.304 24.01563 22.48464 
1 1 1   13   16   26 o  261.776   10.585  860.631   69.197  840.317   99.802  879.438   96.026  257.336   15.604  263.525   14.650 -6.189240 21.40354 
1 1 1   13   16   27 o  176.540   8.9155  391.776   39.177  469.139   58.767  329.890   52.561  192.685   12.277  161.280   13.165 31.40491 18.00173 
1 1 1   13   16   28 f  555.903   17.989  3926.73  249.728  3882.48  354.268  3970.44  352.080  547.678   25.903  554.194   25.441 -6.516052 36.30724 
1 1 1   13   16   29 o  295.046   10.802  1094.09   79.587  1173.58  114.827  1020.60  110.408  304.629   15.095  283.532   15.654 21.09628 21.74642 
1 1 1   13   16   30 o  211.721   9.7220  562.795   51.401  555.306   74.530  569.589   70.983  209.154   14.357  212.044   13.475 -2.889725 19.69001 
1 1 1   13   16   31 o  150.255   9.4741  284.566   35.366  269.826   50.649  298.592   49.405  145.447   14.123  153.300   13.029 -7.853058 19.21491 
1 1 1   13   16   32 o  252.683   10.974  803.681   69.243  913.094   99.185  699.657   96.711  268.038   14.877  233.980   16.661 34.05734 22.33603 
1 1 1   13   16   33 o  194.102   10.270  475.433   49.604  527.233   69.886  422.839   70.419  203.584   13.829  181.721   15.671 21.86284 20.90008 
1 1 1   13   16   34 o  129.564   14.846  216.177   47.167  381.634  100.701  169.676   53.385  169.020   24.579  113.259   19.584 55.76183 31.42702 
1 1 1   13   16   35 o  186.970   14.568  448.152   67.479  586.602  121.415  386.274   81.169  209.968   23.563  171.817   19.249 38.15167 30.42572 
1 1 1   13   16   36 o  184.210   15.614  438.321   71.151  414.737  124.589  449.736   86.675  171.753   30.148  185.149   19.017 -13.39642 35.64498 
1 1 1   13   16   37 o  134.165   11.241  230.021   37.314  221.085   47.884  243.838   59.540  130.368   14.981  135.842   17.995 -5.474792 23.41441 
1 1 1   13   16   38 o   42.729   13.948   22.760   17.110   6.0429   20.189   65.385   32.237   35.116   14.403   69.367   18.333 -34.25096 23.31402 
1 1 1   13   16   39 o  217.408   12.024  606.391   65.025  613.883   83.324  594.723  103.989  216.862   15.488  210.416   20.032 6.446152 25.32167 
1 1 1   13   16   40 o  140.366   11.946  254.228   41.475  242.723   53.985  270.802   64.794  135.279   16.309  141.697   18.774 -6.417847 24.86870 
1 1 1   13   16   41 o   73.402   21.935   75.555   43.299   0.0000   0.0000   75.555   43.299  ?   ?    73.402   21.935 0.000000 21.93458 
1 1 1   13   17    0 o  376.219   19.149  1799.84  179.307  1830.65  251.747  1768.12  255.451  376.125   26.982  369.162   27.917 6.962311 38.82487 
1 1 1   13   17    1 o  214.415   14.826  581.907   78.895  656.823  108.716  498.562  114.669  226.820   19.380  196.185   23.900 30.63440 30.77000 
1 1 1   13   17    2 o  114.217   20.657  170.471   56.748  170.471   56.748   0.0000   0.0000  114.217   20.657  ?   ?  0.000000 20.65666 
1 1 1   13   17    3 o  332.892   14.435  1394.52  120.000  1461.47  145.836  1254.16  211.168  339.803   17.243  311.444   27.432 28.35941 32.40098 
1 1 1   13   17    4 o  362.507   15.309  1654.79  138.588  1782.60  168.929  1391.70  242.368  375.637   18.009  327.310   29.986 48.32697 34.97834 
1 1 1   13   17    5 o  453.835   17.004  2598.00  192.708  2494.99  234.792  2810.64  337.334  443.503   21.200  466.689   29.090 -23.18628 35.99565 
1 1 1   13   17    6 o  300.185   13.326  1132.05   99.894  1127.04  121.098  1142.71  176.717  298.635   16.300  298.680   23.893 -0.4437256E-01 28.92366 
1 1 1   13   17    7 o  294.518   12.486  1088.83   91.834  1033.83  111.111  1207.40  163.136  286.141   15.609  307.866   21.352 -21.72513 26.44856 
1 1 1   13   17    8 o  427.155   20.914  2312.22  223.081  2473.25  313.489  2147.02  317.518  438.029   28.820  406.743   31.506 31.28662 42.69984 
1 1 1   13   17    9 o  355.967   14.839  1594.07  131.908  1575.99  160.618  1631.53  231.185  352.800   18.294  356.435   26.156 -3.635376 31.91879 
1 1 1   13   17   10 o  130.609   10.985  215.379   35.497  215.085   41.588  216.168   68.125  130.237   12.960  128.794   21.970 1.442932 25.50738 
1 1 1   13   17   11 o  251.368   12.254  793.119   76.921  801.668   93.046  774.664  136.710  251.981   14.853  245.921   22.511 6.059479 26.96964 
1 1 1   13   17   12 o  393.349   14.804  1947.19  145.410  1823.26  176.936  2205.03  255.220  379.747   18.658  414.978   24.741 -35.23056 30.98786 
1 1 1   13   17   13 o  309.099   13.681  1201.26  105.600  1268.68  128.572  1061.50  185.115  316.786   16.308  286.850   26.129 29.93585 30.80085 
1 1 1   13   17   14 o  497.735   18.675  3134.96  232.122  3073.42  283.563  3259.95  404.129  491.088   23.123  499.906   32.550 -8.818420 39.92723 
1 1 1   13   17   15 o  364.420   26.573  1713.35  240.154  1713.35  240.154   0.0000   0.0000  364.420   26.573  ?   ?  0.000000 26.57301 
1 1 1   13   17   16 o  379.332   27.384  1861.58  257.652  1861.58  257.652   0.0000   0.0000  379.332   27.384  ?   ?  0.000000 27.38376 
1 1 1   13   17   17 o  517.741   19.422  3401.86  251.102  3400.49  307.090  3404.64  436.187  515.523   23.854  508.136   34.581 7.387177 42.01014 
1 1 1   13   17   18 o  385.724   15.384  1877.55  148.179  1913.54  181.164  1804.81  257.558  388.430   18.677  372.778   27.869 15.65207 33.54894 
1 1 1   13   17   19 o  195.609   9.6745  479.838   47.257  438.775   67.239  519.922   66.433  185.982   14.595  202.820   13.188 -16.83728 19.67079 
1 1 1   13   17   20 o  332.220   12.424  1388.28  103.071  1363.21  146.094  1413.13  145.437  327.438   17.935  333.530   17.523 -6.092926 25.07455 
1 1 1   13   17   21 o  310.919   16.211  1225.77  125.428   0.0000   0.0000  1225.77  125.428  ?   ?   310.919   16.211 0.000000 16.21081 
1 1 1   13   17   22 o  168.334   10.332  357.017   43.223  335.211   54.430  394.242   71.116  162.560   13.531  175.782   16.390 -13.22206 21.25397 
1 1 1   13   17   23 o  272.493   10.859  932.691   73.894  917.081  105.483  947.734  103.548  268.866   15.780  273.485   15.222 -4.618927 21.92536 
1 1 1   13   17   24 o  209.515   9.4607  550.635   49.498  551.298   71.529  550.026   68.567  208.655   13.806  208.531   13.236 0.1243896 19.12559 
1 1 1   13   17   25 o  352.154   12.124  1560.36  106.615  1687.88  152.331  1437.92  149.269  365.004   16.712  336.105   17.848 28.89844 24.45145 
1 1 1   13   17   26 o  289.013   10.940  1049.57   78.953  1061.27  113.261  1038.51  110.117  289.232   15.741  286.183   15.466 3.049255 22.06724 
1 1 1   13   17   27 o  287.502   10.354  1038.04   74.333  1192.58  107.584  896.881  102.822  307.423   14.014  265.840   15.556 41.58307 20.93785 
1 1 1   13   17   28 o  160.384   8.7679  323.496   34.983  388.565   52.968  273.151   46.591  175.278   12.177  146.691   12.848 28.58621 17.70194 
1 1 1   13   17   29 o  124.219   8.9791  194.546   27.666  220.640   41.833  174.262   36.883  131.697   12.885  116.904   12.846 14.79307 18.19471 
1 1 1   13   17   30 o  220.981   9.3895  612.920   51.814  599.995   75.418  624.474   71.308  217.522   13.958  222.176   12.908 -4.653534 19.01162 
1 1 1   13   17   31 o  424.236   14.476  2276.84  153.356  2313.83  217.900  2240.54  215.870  424.873   20.538  418.016   20.680 6.857422 29.14529 
1 1 1   13   17   32 o  243.539   10.638  746.282   64.699  754.240   92.526  738.669   90.504  243.382   15.302  240.902   15.121 2.480118 21.51258 
1 1 1   13   17   33 o  154.758   9.5555  302.234   36.748  332.788   51.325  270.098   52.638  161.765   12.810  145.181   14.723 16.58446 19.51565 
1 1 1   13   17   34 o  198.763   10.253  499.061   50.718  532.588   70.607  463.319   72.901  204.372   13.918  190.074   15.494 14.29849 20.82690 
1 1 1   13   17   35 o  233.268   11.459  688.285   66.748  664.002   91.534  715.861   97.544  227.110   16.247  235.662   16.683 -8.551849 23.28717 
1 1 1   13   17   36 o  178.912   11.463  407.267   50.945  390.471   65.286  433.420   81.465  173.950   15.182  182.107   18.156 -8.156570 23.66697 
1 1 1   13   17   37 o  208.733   11.315  554.744   58.759  571.334   75.392  529.075   93.780  210.582   14.424  200.372   18.968 10.20981 23.82923 
1 1 1   13   17   38 o  108.018   17.150  155.356   44.716  136.220  107.784  159.334   49.144   97.781   34.920  108.793   18.767 -11.01196 39.64384 
1 1 1   13   17   39 o  183.426   15.790  440.629   71.620  481.022  134.365  424.598   84.647  180.812   30.866  177.994   19.356 2.818329 36.43328 
1 1 1   13   17   40 o   82.928   13.261   90.643   26.536   75.045   34.423  113.488   41.660   73.792   18.667   90.890   18.968 -17.09838 26.61280 
1 1 1   13   17   41 o   93.137   20.733  121.530   46.981   0.0000   0.0000  121.530   46.981  ?   ?    93.137   20.733 0.000000 20.73308 
1 1 1   13   18    0 o  134.942   15.044  232.686   49.831  273.973   66.261  178.939   75.601  145.746   18.632  115.468   26.745 30.27767 32.59506 
1 1 1   13   18    1 o  571.445   26.716  4216.19  381.235  4422.57  537.964  4007.99  540.339  575.003   37.674  545.022   39.980 29.98071 54.93373 
1 1 1   13   18    2 o  106.373   16.245  146.135   41.784  161.049   54.433  124.740   65.196  110.860   20.415   96.822   26.288 14.03890 33.28415 
1 1 1   13   18    3 o  480.154   33.149  3029.00  395.032  3029.00  395.032   0.0000   0.0000  480.154   33.149  ?   ?  0.000000 33.14887 
1 1 1   13   18    4 o  226.019   11.951  643.445   67.216  668.726   80.597  585.698  121.810  230.042   14.098  212.984   23.282 17.05849 27.21765 
1 1 1   13   18    5 o  199.116   11.560  499.391   57.231  517.027   68.226  457.513  105.133  202.282   13.585  188.132   22.847 14.15059 26.58098 
1 1 1   13   18    6 f  162.740   11.213  333.897   45.292  341.750   53.517  314.076   85.026  164.358   13.149  155.513   22.552 8.844589 26.10587 
1 1 1   13   18    7 o  229.071   11.921  660.603   67.955  657.950   81.464  666.672  123.219  228.187   14.370  227.932   21.918 0.2544250 26.20889 
1 1 1   13   18    8 o  309.589   13.185  1204.85  101.932  1144.78  123.399  1333.87  180.852  300.764   16.493  322.909   22.570 -22.14450 27.95389 
1 1 1   13   18    9 o  279.103   14.872  983.734  103.283  846.787  141.438  1140.19  151.177  257.045   22.254  299.121   20.360 -42.07596 30.16261 
1 1 1   13   18   10 o  347.721   13.741  1520.85  119.320  1451.28  144.902  1667.38  210.298  338.552   17.196  360.845   23.466 -22.29266 29.09176 
1 1 1   13   18   11 o  126.425   11.679  202.327   36.454  235.893   42.800  113.635   69.572  136.435   12.708   93.274   27.788 43.16065 30.55644 
1 1 1   13   18   12 f  160.614   11.267  325.312   44.905  349.021   53.353  267.721   83.154  166.135   12.963  142.926   24.159 23.20888 27.41723 
1 1 1   13   18   13 o  349.759   14.828  1541.28  129.510  1601.64  157.767  1416.57  226.782  355.849   17.754  330.573   27.728 25.27499 32.92511 
1 1 1   13   18   14 o  142.701   11.425  257.276   40.371  267.349   47.500  231.070   76.618  145.200   13.246  132.514   24.039 12.68564 27.44657 
1 1 1   13   18   15 o  659.021   23.855  5557.47  392.582  5354.64  479.655  5969.07  683.279  642.453   29.898  666.085   41.282 -23.63129 50.97146 
1 1 1   13   18   16 o  444.702   31.070  2587.26  342.863  2587.26  342.863   0.0000   0.0000  444.702   31.070  ?   ?  0.000000 31.06983 
1 1 1   13   18   17 o  133.733   10.967  226.032   36.304  246.960   42.732  171.742   68.827  139.605   12.386  113.554   24.953 26.05080 27.85806 
1 1 1   13   18   18 o  258.731   12.288  841.851   79.395  869.726   96.516  783.505  139.634  262.153   14.804  246.438   22.954 15.71509 27.31359 
1 1 1   13   18   19 o  421.073   16.647  2243.75  175.038  2318.98  214.112  2092.18  303.928  426.774   20.091  399.225   30.722 27.54849 36.70799 
1 1 1   13   18   20 o  282.538   15.931  1012.40  111.946  1088.03  159.677  939.297  156.987  290.881   22.149  269.636   23.551 21.24466 32.33017 
1 1 1   13   18   21 f  421.625   16.552  2250.47  174.276  2361.69  213.322  2027.25  302.198  430.632   19.837  392.379   31.096 38.25308 36.88477 
1 1 1   13   18   22 o  197.750   9.3772  490.477   46.306  488.628   66.309  492.237   64.694  196.432   13.602  197.236   13.211 -0.8040771 18.96164 
1 1 1   13   18   23 o  285.013   10.477  1020.10   74.565  1111.12  106.401  932.247  104.527  296.714   14.360  271.118   15.503 25.59509 21.13208 
1 1 1   13   18   24 o  379.337   12.977  1812.73  122.923  1913.21  174.688  1714.18  173.003  388.116   18.024  366.583   18.964 21.53348 26.16264 
1 1 1   13   18   25 o  203.338   9.4093  518.698   47.778  544.595   69.041  494.898   66.186  207.431   13.400  197.682   13.488 9.749176 19.01291 
1 1 1   13   18   26 o  156.728   8.7914  308.943   34.269  354.508   51.049  271.567   46.235  167.375   12.300  146.288   12.785 21.08707 17.74084 
1 1 1   13   18   27 o   88.360   10.193   99.322   22.079  124.093   39.327   87.921   26.681   97.629   16.733   82.476   13.415 15.15261 21.44703 
1 1 1   13   18   28 o  207.682   13.246  546.022   68.337  580.833   96.410  510.872   96.878  212.932   18.309  199.183   19.737 13.74846 26.92169 
1 1 1   13   18   29 o   77.454   13.573   77.859   25.296  104.727   33.475   42.091   38.623   89.730   15.500   60.268   20.956 29.46191 26.06536 
1 1 1   13   18   30 o  213.494   13.106  577.123   69.534  541.694   95.415  617.249  101.543  205.290   18.822  219.275   18.724 -13.98438 26.54871 
1 1 1   13   18   31 o  426.561   20.391  2332.61  217.204  2276.72  304.056  2390.85  310.388  414.653   29.558  425.070   29.422 -10.41718 41.70518 
1 1 1   13   18   32 o  292.021   12.755  1076.83   93.015  1027.85  156.900  1103.37  115.499  281.174   22.535  294.327   15.772 -13.15350 27.50612 
1 1 1   13   18   33 o  242.390   9.2528  738.451   56.007  747.667   79.605  729.418   78.811  242.732   13.182  239.734   13.216 2.998795 18.66632 
1 1 1   13   18   34 o  219.095   10.191  604.851   55.757  641.848   77.756  565.692   79.995  224.401   13.945  210.155   15.349 14.24620 20.73796 
1 1 1   13   18   35 o  146.338   10.577  271.756   38.393  242.787   49.545  315.295   60.739  137.230   14.686  156.222   15.786 -18.99243 21.56099 
1 1 1   13   18   36 o   63.744   12.387   53.323   19.008   48.800   24.056   60.841   31.012   60.539   15.759   67.371   18.064 -6.832439 23.97164 
1 1 1   13   18   37 o  149.495   10.701  284.677   39.683  269.586   51.757  306.199   61.812  144.244   14.569  153.092   16.425 -8.848495 21.95507 
1 1 1   13   18   38 o   72.729   12.423   69.347   21.752   77.116   28.484   58.478   33.691   75.935   15.545   65.839   19.266 10.09592 24.75495 
1 1 1   13   18   39 o   98.894   11.467  126.387   27.793  121.012   36.985  133.359   42.126   95.220   16.130   99.504   17.597 -4.284546 23.87126 
1 1 1   13   18   40 o  167.082   18.790  375.070   77.037   0.0000   0.0000  375.070   77.037  ?   ?   167.082   18.790 0.000000 18.78965 
1 1 1   13   19    0 o  238.069   15.121  719.670   89.428  709.595  122.308  731.245  131.089  234.553   21.108  237.678   22.349 -3.125916 30.74099 
1 1 1   13   19    1 o  234.588   15.297  698.741   89.119  774.245  122.632  614.240  129.732  245.526   20.180  217.084   24.351 28.44148 31.62609 
1 1 1   13   19    2 o  137.005   14.665  239.613   49.393  265.013   65.777  206.773   74.792  143.198   18.853  124.638   24.901 18.55961 31.23276 
1 1 1   13   19    3 o  490.107   23.418  3082.05  286.605  3174.60  403.407  2987.73  407.262  489.900   33.170  474.008   34.646 15.89261 47.96506 
1 1 1   13   19    4 o  416.208   29.528  2264.36  304.909  2264.36  304.909   0.0000   0.0000  416.208   29.528  ?   ?  0.000000 29.52823 
1 1 1   13   19    5 o  530.363   19.921  3577.84  263.835  3530.00  321.977  3675.61  460.290  524.287   24.593  526.414   35.218 -2.126953 42.95479 
1 1 1   13   19    6 o  179.839   11.517  407.916   51.452  444.938   61.029  316.934   95.671  187.585   13.111  155.142   25.587 32.44275 28.74998 
1 1 1   13   19    7 o  533.374   20.115  3617.00  267.919  3651.25  327.192  3547.30  466.743  533.551   24.557  516.721   36.405 16.82996 43.91293 
1 1 1   13   19    8 o  164.073   11.570  339.774   47.102  381.036   55.812  237.645   87.807  173.568   12.970  133.518   27.258 40.05052 30.18621 
1 1 1   13   19    9 o  167.339   11.146  353.092   46.312  367.373   54.780  317.315   86.706  170.415   12.970  156.070   22.931 14.34489 26.34507 
1 1 1   13   19   10 o  297.000   15.883  1116.73  117.373  1044.44  161.714  1197.20  170.625  285.075   22.910  305.466   22.527 -20.39090 32.12991 
1 1 1   13   19   11 o  271.715   12.989  928.744   88.135  1003.86  106.772  768.123  156.137  281.697   15.235  243.096   26.131 38.60065 30.24752 
1 1 1   13   19   12 o  283.695   13.292  1012.89   94.168  1083.67  114.243  862.851  166.323  292.582   15.693  257.728   26.207 34.85440 30.54686 
1 1 1   13   19   13 o  368.706   14.425  1713.51  132.814  1615.00  161.302  1920.87  234.039  356.526   18.178  386.316   24.385 -29.79028 30.41512 
1 1 1   13   19   14 o  362.543   14.831  1657.89  134.267  1622.28  163.248  1732.33  236.049  357.220   18.363  365.944   26.000 -8.723969 31.83059 
1 1 1   13   19   15 o  143.394   11.143  259.774   39.588  284.977   46.444  192.806   75.709  150.010   12.512  120.184   25.983 29.82595 28.83871 
1 1 1   13   19   16 o  396.293   28.390  2046.47  279.091  2046.47  279.091   0.0000   0.0000  396.293   28.390  ?   ?  0.000000 28.39006 
1 1 1   13   19   17 o  221.978   11.456  620.839   63.289  631.465   76.005  596.812  114.295  223.447   13.687  215.171   21.561 8.276001 25.53884 
1 1 1   13   19   18 o  143.760   10.685  260.935   38.085  256.113   44.809  273.480   72.283  142.080   12.766  145.129   20.517 -3.048920 24.16395 
1 1 1   13   19   19 o  100.802   10.444  128.923   25.908   93.022   29.621  245.783   53.441   84.703   14.527  138.575   15.722 -53.87200 21.40560 
1 1 1   13   19   20 o  328.947   13.816  1364.44  113.487  1421.84  138.553  1247.40  197.827  335.080   16.558  309.810   25.805 25.26981 30.66094 
1 1 1   13   19   21 o  285.391   15.700  1033.13  111.459  1033.13  111.459   0.0000   0.0000  285.391   15.700  ?   ?  0.000000 15.69991 
1 1 1   13   19   22 o  331.202   13.656  1383.25  112.941  1521.96  138.234  1104.72  195.877  346.788   15.962  290.605   27.312 56.18207 31.63459 
1 1 1   13   19   23 o  209.018   11.446  550.951   59.515  607.857   72.663  434.964  103.739  219.200   13.338  182.659   23.272 36.54128 26.82307 
1 1 1   13   19   24 o  432.457   17.081  2372.18  184.467  2374.63  225.796  2367.26  319.869  430.971   20.981  423.957   30.416 7.013977 36.94984 
1 1 1   13   19   25 o  143.522   13.118  261.716   46.493  292.875   62.528  223.186   69.531  151.089   16.860  130.285   22.165 20.80457 27.84894 
1 1 1   13   19   26 o  101.895   12.806  132.815   31.866  103.680   42.728  169.329   47.833   88.482   19.829  114.288   17.301 -25.80611 26.31577 
1 1 1   13   19   27 o  436.467   20.895  2437.37  227.742  2486.23  321.917  2388.41  322.237  434.543   29.847  425.363   30.540 9.180023 42.70266 
1 1 1   13   19   28 o  327.918   11.762  1353.38   96.316  1449.26  137.765  1261.71  134.709  338.094   16.317  314.750   17.204 23.34338 23.71141 
1 1 1   13   19   29 o  122.146   8.4037  187.946   25.477  219.179   39.191  165.086   33.528  131.380   12.081  113.889   11.968 17.49110 17.00536 
1 1 1   13   19   30 o  376.128   13.484  1786.38  126.654  1715.97  180.067  1855.32  178.178  365.797   19.786  381.350   18.710 -15.55273 27.23171 
1 1 1   13   19   31 o  280.114   10.770  987.199   75.338  1034.73  107.578  941.449  105.540  285.335   15.152  271.987   15.604 13.34766 21.75033 
1 1 1   13   19   32 o  168.615   8.9862  358.039   37.701  336.650   53.767  378.725   52.878  162.638   13.357  172.796   12.336 -10.15733 18.18144 
1 1 1   13   19   33 f  329.220   12.101  1369.10   99.481  1471.35  140.940  1267.58  140.437  339.559   16.621  314.126   17.978 25.43338 24.48413 
1 1 1   13   19   34 o  213.844   9.5637  575.700   51.071  580.616   70.622  570.312   73.942  213.542   13.310  211.385   14.089 2.157181 19.38136 
1 1 1   13   19   35 o  115.950   12.763  172.634   36.343  172.634   36.343   0.0000   0.0000  115.950   12.763  ?   ?  0.000000 12.76308 
1 1 1   13   19   36 o  120.385   16.174  189.524   47.392  189.524   47.392   0.0000   0.0000  120.385   16.174  ?   ?  0.000000 16.17363 
1 1 1   13   19   37 f  235.394   20.270  734.709  117.990  734.709  117.990   0.0000   0.0000  235.394   20.270  ?   ?  0.000000 20.27010 
1 1 1   13   19   38 o  133.307   11.818  228.300   38.932  222.014   54.100  235.053   56.070  129.480   17.154  133.239   17.257 -3.758133 24.33266 
1 1 1   13   19   39 o   69.726   13.077   64.345   21.933   54.857   29.633   75.841   32.618   63.603   17.901   74.546   17.773 -10.94258 25.22527 
1 1 1   13   19   40 o  151.490   18.136  307.578   67.244   0.0000   0.0000  307.578   67.244  ?   ?   151.490   18.136 0.000000 18.13583 
1 1 1   13   20    0 o  242.988   22.971  767.975  137.730   0.0000   0.0000  767.975  137.730  ?   ?   242.988   22.971 0.000000 22.97083 
1 1 1   13   20    1 o  101.341   16.548  133.586   40.433  145.410   51.123  113.837   66.072  104.941   20.242   92.403   26.963 12.53799 33.71533 
1 1 1   13   20    2 o  143.747   14.681  263.896   51.961  286.747   68.670  233.287   79.476  148.866   18.898  132.305   24.971 16.56155 31.31571 
1 1 1   13   20    3 o  355.430   18.703  1613.05  165.418  1711.31  231.312  1510.21  236.651  362.619   25.711  339.150   28.198 23.46909 38.16026 
1 1 1   13   20    4 o  235.413   15.153  703.535   88.606  735.172  121.525  667.627  129.467  239.052   20.557  226.814   23.184 12.23871 30.98544 
1 1 1   13   20    5 o  117.730   20.069  181.409   56.886  181.409   56.886   0.0000   0.0000  117.730   20.069  ?   ?  0.000000 20.06912 
1 1 1   13   20    6 o  308.730   17.054  1211.72  130.970  1272.46  182.562  1147.32  187.998  313.941   23.456  297.091   25.590 16.84991 34.71381 
1 1 1   13   20    7 o  233.307   11.502  684.251   67.011  650.701   79.943  763.522  122.883  226.686   14.194  243.909   20.361 -17.22298 24.82024 
1 1 1   13   20    8 o   95.498   11.828  116.387   27.603  102.585   30.873  171.380   61.624   89.088   14.366  113.848   22.474 -24.76025 26.67291 
1 1 1   13   20    9 o  177.441   11.124  397.079   49.044  406.179   57.885  373.925   92.331  179.143   13.029  169.601   22.345 9.541779 25.86548 
1 1 1   13   20   10 o  516.579   19.811  3396.96  255.556  3518.89  312.252  3149.60  444.748  523.500   23.886  484.873   37.011 38.62665 44.04913 
1 1 1   13   20   11 o  371.691   18.783  1759.44  173.776  1756.85  242.450  1762.17  249.202  367.855   26.572  368.019   27.311 -0.1633606 38.10482 
1 1 1   13   20   12 o  395.378   16.228  1977.47  160.220  2113.02  195.390  1699.25  279.926  407.652   19.194  358.933   31.551 48.71924 36.93060 
1 1 1   13   20   13 o   79.476   13.254   81.646   25.378   94.995   28.468   29.980   56.005   85.776   13.755   62.292   24.522 23.48326 28.11611 
1 1 1   13   20   14 o  134.360   10.049  227.804   33.473  185.297   38.376  363.009   68.442  120.636   12.941  168.585   16.468 -47.94907 20.94409 
1 1 1   13   20   15 o  127.562   11.908  206.390   37.493  250.843   43.860   85.753   72.254  140.614   12.625   83.963   28.688 56.65027 31.34307 
1 1 1   13   20   16 o  331.368   14.482  1385.93  119.839  1460.72  145.514  1228.29  211.268  339.014   17.245  306.401   27.918 32.61264 32.81493 
1 1 1   13   20   17 o  116.973   20.334  179.247   57.239  179.247   57.239   0.0000   0.0000  116.973   20.334  ?   ?  0.000000 20.33363 
1 1 1   13   20   18 o  214.005   10.906  576.902   58.088  549.777   69.353  640.649  106.321  208.431   13.396  223.559   19.232 -15.12877 23.43731 
1 1 1   13   20   19 o   96.996   24.304  125.795   58.747   0.0000   0.0000  125.795   58.747  ?   ?    96.996   24.304 0.000000 24.30360 
1 1 1   13   20   20 o  365.357   17.774  1695.20  162.160  1695.20  162.160   0.0000   0.0000  365.357   17.774  ?   ?  0.000000 17.77364 
1 1 1   13   20   21 o  153.819   10.947  298.827   41.773  358.543   50.029  161.329   75.914  168.383   11.976  109.329   27.756 59.05463 30.22975 
1 1 1   13   20   22 o  198.116   10.833  494.691   53.393  541.398   64.481  392.815   95.230  206.967   12.535  173.644   22.490 33.32297 25.74747 
1 1 1   13   20   23 f  104.759   11.327  139.579   29.161  135.103   34.032  151.944   56.564  102.625   13.616  107.061   21.896 -4.436600 25.78376 
1 1 1   13   20   24 o   80.023   15.619   83.746   30.091   96.799   37.221   59.116   51.126   85.736   17.960   70.365   24.131 15.37074 30.08088 
1 1 1   13   20   25 o  100.007   13.642  128.439   33.179  116.592   42.440  147.063   53.212   94.129   18.714  105.488   20.939 -11.35891 28.08296 
1 1 1   13   20   26 o  371.267   14.936  1742.99  138.477  1771.08  169.792  1687.19  239.307  373.101   18.224  359.385   26.859 13.71625 32.45817 
1 1 1   13   20   27 o  462.380   17.272  2715.78  199.435  2861.75  244.820  2427.82  343.856  472.868   20.733  427.027   32.489 45.84122 38.54098 
1 1 1   13   20   28 o  291.244   12.805  1069.46   93.127  1129.55  114.895  954.356  159.008  298.267   15.479  271.019   23.734 27.24799 28.33529 
1 1 1   13   20   29 o  153.226   8.4993  295.342   32.394  320.914   48.586  274.878   43.464  159.114   12.324  147.263   11.921 11.85066 17.14648 
1 1 1   13   20   30 o  299.258   11.779  1128.14   88.028  1069.30  125.489  1185.14  123.515  289.334   17.450  305.095   16.271 -15.76071 23.85868 
1 1 1   13   20   31 o  330.276   11.121  1373.51   91.726  1466.26  130.836  1283.86  128.631  339.935   15.413  317.404   16.283 22.53131 22.42107 
1 1 1   13   20   32 o  230.931   9.4486  670.287   54.488  729.202   77.426  612.480   76.694  239.830   12.976  219.440   14.070 20.39000 19.14017 
1 1 1   13   20   33 o  195.824   9.3730  482.283   45.835  440.303   63.941  526.653   65.737  185.816   13.880  203.560   13.000 -17.74356 19.01723 
1 1 1   13   20   34 o  313.942   10.901  1244.32   85.462  1269.18  118.574  1217.45  123.287  315.491   15.051  308.157   16.077 7.333832 22.02238 
1 1 1   13   20   35 o  111.913   9.5163  158.995   26.343  157.646   34.800  160.804   40.312  110.698   12.827  111.266   14.881 -0.5683212 19.64634 
1 1 1   13   20   36 o  116.203   10.116  171.935   29.061  115.565   38.203  249.355   44.771   93.260   17.032  139.322   13.019 -46.06178 21.43784 
1 1 1   13   20   37 o  158.608   10.772  320.547   42.410  264.086   55.096  402.643   66.437  142.219   15.780  176.163   15.253 -33.94379 21.94659 
1 1 1   13   20   38 o  111.974   10.728  160.744   29.631  153.267   39.956  169.880   44.168  107.900   15.254  113.399   16.045 -5.499207 22.13901 
1 1 1   13   20   39 o  263.199   22.089  943.048  143.836   0.0000   0.0000  943.048  143.836  ?   ?   263.199   22.089 0.000000 22.08851 
1 1 1   13   21    0 o   90.387   17.657  107.612   38.424   84.632   47.241  152.533   66.048   79.823   22.650  106.176   25.275 -26.35306 33.93867 
1 1 1   13   21    1 o  241.476   23.035  760.144  137.219   0.0000   0.0000  760.144  137.219  ?   ?   241.476   23.035 0.000000 23.03501 
1 1 1   13   21    2 o  261.792   15.897  872.899  103.431  909.431  141.931  831.527  151.041  265.053   21.632  252.216   24.281 12.83772 32.51963 
1 1 1   13   21    3 o  217.369   14.921  600.986   80.503  636.160  109.316  559.308  118.995  222.114   19.920  206.884   23.447 15.23039 30.76673 
1 1 1   13   21    4 o   99.581   16.586  129.114   39.793  130.997   50.100  125.895   65.497   99.343   20.860   96.742   26.383 2.600555 33.63312 
1 1 1   13   21    5 o  294.195   16.662  1102.04  121.906  1142.67  169.001  1057.97  176.015  297.038   22.962  284.813   25.001 12.22534 33.94558 
1 1 1   13   21    6 o  197.703   19.827  503.905   96.568  503.905   96.568   0.0000   0.0000  197.703   19.827  ?   ?  0.000000 19.82725 
1 1 1   13   21    7 o  168.662   14.168  361.724   59.119  371.409   79.227  349.556   88.804  169.721   19.021  163.619   22.316 6.102036 29.32240 
1 1 1   13   21    8 o  255.944   11.544  824.079   73.780  774.385   87.928  942.314  135.627  247.214   14.304  270.914   20.193 -23.70012 24.74582 
1 1 1   13   21    9 o  142.120   10.387  255.039   36.610  231.556   41.902  330.787   75.257  135.019   12.572  160.053   19.213 -25.03435 22.96095 
1 1 1   13   21   10 o  389.590   16.029  1922.01  155.938  2037.17  189.874  1683.39  273.316  399.955   19.011  356.713   30.991 43.24222 36.35726 
1 1 1   13   21   11 o   97.066   11.141  119.962   26.515  109.199   29.561  164.255   59.970   92.167   13.223  111.322   22.349 -19.15471 25.96776 
1 1 1   13   21   12 o  334.757   18.445  1429.32  153.599  1681.78  214.494  1163.60  220.055  360.668   23.952  296.704   30.118 63.96439 38.48045 
1 1 1   13   21   13 o  201.874   11.581  514.225   58.140  547.405   69.267  435.116  106.955  207.943   13.411  182.387   24.071 25.55679 27.55496 
1 1 1   13   21   14 o  222.301   11.992  623.653   66.326  679.953   79.575  495.534  120.041  231.753   13.813  194.369   25.334 37.38350 28.85472 
1 1 1   13   21   15 o  262.356   12.630  866.955   82.748  906.678   99.861  779.916  147.819  267.414   15.015  244.817   24.508 22.59763 28.74199 
1 1 1   13   21   16 o  426.333   17.026  2305.76  181.268  2375.08  221.009  2163.30  316.846  431.156   20.527  404.187   31.644 26.96872 37.71898 
1 1 1   13   21   17 o  197.406   19.726  501.659   95.939  501.659   95.939   0.0000   0.0000  197.406   19.726  ?   ?  0.000000 19.72587 
1 1 1   13   21   18 o  136.733   22.845  246.107   75.253   0.0000   0.0000  246.107   75.253  ?   ?   136.733   22.845 0.000000 22.84540 
1 1 1   13   21   19 o  323.332   12.518  1316.82  101.075  1195.13  121.891  1584.70  180.844  306.795   15.965  351.484   20.695 -44.68854 26.13764 
1 1 1   13   21   20 o  215.779   11.271  587.093   60.520  588.774   72.275  583.149  110.711  215.636   13.490  212.472   21.147 3.163589 25.08319 
1 1 1   13   21   21 o  298.015   13.159  1119.84   97.931  1236.43  119.157  877.203  171.904  312.616   15.264  258.507   27.029 54.10995 31.04121 
1 1 1   13   21   22 o  265.102   12.508  885.355   82.806  1018.81  100.799  608.355  145.221  283.656   14.276  214.519   27.760 69.13739 31.21586 
1 1 1   13   21   23 o  206.044   11.646  535.870   59.675  586.153   71.730  422.825  107.550  215.154   13.417  179.424   24.655 35.72989 28.06982 
1 1 1   13   21   24 o  101.614   14.042  132.766   34.680  123.081   43.439  149.790   57.591   96.766   18.653  106.114   22.435 -9.348732 29.17630 
1 1 1   13   21   25 o  169.619   10.975  363.224   46.238  405.699   55.629  268.302   83.161  179.015   12.523  142.382   24.259 36.63274 27.30048 
1 1 1   13   21   26 o  108.104   11.437  148.646   30.405  165.070   35.992  107.719   56.819  113.714   12.903   89.828   24.605 23.88625 27.78289 
1 1 1   13   21   27 f   93.054   11.575  110.626   26.316  113.864   32.062  103.940   46.072   93.932   14.104   88.342   21.162 5.589424 25.43177 
1 1 1   13   21   28 o  277.434   12.591  970.435   87.230  1003.18  107.412  906.999  149.492  281.012   15.365  264.400   22.867 16.61218 27.54914 
1 1 1   13   21   29 o  215.817   10.768  585.848   58.030  570.402   71.891  614.731   98.308  212.060   13.648  218.900   18.148 -6.840271 22.70734 
1 1 1   13   21   30 o  413.370   15.857  2169.33  163.684  2140.61  200.835  2226.15  282.487  408.809   19.673  411.079   27.679 -2.269897 33.95847 
1 1 1   13   21   31 o  412.431   15.278  2159.21  157.354  2179.69  192.792  2118.35  272.339  412.698   18.707  400.529   27.393 12.16931 33.17124 
1 1 1   13   21   32 o  138.835   10.710  244.218   36.843  255.626   42.659  210.727   73.093  141.766   12.168  125.187   24.257 16.57874 27.13798 
1 1 1   13   21   33 o  182.043   15.469  425.214   69.655  498.377   94.868  339.643  102.598  195.635   19.686  158.218   26.933 37.41731 33.36045 
1 1 1   13   21   34 o  242.871   13.286  751.344   80.275  911.019  121.307  626.944  107.072  265.163   18.434  219.132   19.780 46.03145 27.03852 
1 1 1   13   21   35 o  143.127   12.506  262.081   44.248  311.770   75.804  236.400   54.496  153.415   20.284  134.651   16.556 18.76389 26.18279 
1 1 1   13   21   36 o  175.290   13.220  394.152   57.442  410.824   91.859  383.446   73.609  175.326   21.427  171.203   17.462 4.122696 27.64109 
1 1 1   13   21   37 o  272.683   16.893  969.537  114.468  841.318  168.419  1079.62  156.053  245.120   28.018  283.516   22.219 -38.39651 35.75895 
1 1 1   13   21   38 o   88.031   14.204  102.156   30.162  104.888   69.551  101.523   33.474   86.285   28.118   87.188   15.962 -0.9033661 32.33341 
1 1 1   13   21   39 o  176.089   17.847  412.412   77.392   0.0000   0.0000  412.412   77.392  ?   ?   176.089   17.847 0.000000 17.84664 
1 1 1   13   22    0 o   46.634   18.043   18.399   29.902   6.7922   34.526   53.240   59.817   44.837   18.654   70.160   25.878 -25.32286 31.90069 
1 1 1   13   22    1 o  123.270   15.581  195.992   46.890  214.411   59.025  164.482   77.203  128.071   19.035  109.600   28.081 18.47038 33.92454 
1 1 1   13   22    2 o  104.888   26.541  149.627   69.574   0.0000   0.0000  149.627   69.574  ?   ?   104.888   26.541 0.000000 26.54094 
1 1 1   13   22    3 o  195.436   14.425  486.302   69.904  466.539   92.747  512.294  106.365  189.770   19.866  198.221   21.851 -8.450516 29.53179 
1 1 1   13   22    4 o  411.551   20.852  2182.02  213.603  2292.43  298.940  2066.84  305.321  416.016   28.956  392.984   31.374 23.03174 42.69392 
1 1 1   13   22    5 o  233.967   15.464  697.146   89.842  784.004  122.741  596.899  131.861  246.559   20.110  212.895   25.298 33.66371 32.31726 
1 1 1   13   22    6 o  387.507   19.991  1927.93  192.791  2068.84  269.705  1780.70  275.689  396.756   27.389  365.819   30.456 30.93683 40.95992 
1 1 1   13   22    7 o  157.839   19.008  322.398   73.415  322.398   73.415   0.0000   0.0000  157.839   19.008  ?   ?  0.000000 19.00830 
1 1 1   13   22    8 o  156.992   14.354  314.163   55.652  337.832   73.240  281.826   85.606  161.807   18.456  145.822   24.369 15.98520 30.56914 
1 1 1   13   22    9 o  234.646   11.447  692.972   67.073  658.811   79.555  776.951  124.732  227.916   14.046  245.514   20.533 -17.59808 24.87796 
1 1 1   13   22   10 o  148.075   10.971  277.237   40.277  259.217   46.414  332.190   81.052  142.753   13.168  159.802   20.804 -17.04951 24.62160 
1 1 1   13   22   11 o  240.292   12.253  729.248   73.278  752.114   87.704  676.378  133.361  243.493   14.489  227.814   23.793 15.67911 27.85784 
1 1 1   13   22   12 o  424.794   20.180  2307.52  214.071  2158.46  298.581  2465.20  307.083  404.352   29.780  433.185   28.548 -28.83310 41.25294 
1 1 1   13   22   13 o  146.556   11.621  271.969   42.180  322.229   49.286  134.375   81.547  159.442   12.478  100.288   30.132 59.15369 32.61366 
1 1 1   13   22   14 o   94.991   11.580  115.193   26.900  109.777   29.687  140.040   63.591   92.381   13.248  102.070   25.119 -9.689171 28.39846 
1 1 1   13   22   15 o  110.887   11.072  156.134   30.248  158.120   34.106  148.815   65.474  111.349   12.480  105.204   25.244 6.144112 28.16092 
1 1 1   13   22   16 o  289.294   12.853  1055.10   92.856  1035.00  111.878  1099.61  166.470  285.422   15.758  291.419   23.064 -5.996735 27.93282 
1 1 1   13   22   17 o  325.391   14.261  1337.81  115.881  1404.60  140.437  1195.30  205.126  332.184   16.987  301.671   27.533 30.51321 32.35118 
1 1 1   13   22   18 o  150.707   19.319  294.200   71.031  294.200   71.031   0.0000   0.0000  150.707   19.319  ?   ?  0.000000 19.31874 
1 1 1   13   22   19 o  190.653   12.700  460.133   60.118  460.133   60.118   0.0000   0.0000  190.653   12.700  ?   ?  0.000000 12.69985 
1 1 1   13   22   20 o  159.384   10.503  320.612   41.569  305.970   48.154  363.435   82.351  155.332   12.521  167.511   20.087 -12.17853 23.67008 
1 1 1   13   22   21 o  323.684   13.475  1322.26  108.915  1325.11  131.919  1316.15  193.036  322.805   16.419  318.224   24.479 4.580414 29.47582 
1 1 1   13   22   22 o  118.478   11.377  178.199   33.247  193.499   38.698  135.074   64.967  123.254   12.757  100.181   25.810 23.07333 28.79058 
1 1 1   13   22   23 o  163.450   11.341  337.701   46.003  361.115   54.052  276.171   87.623  168.747   12.925  144.129   25.267 24.61809 28.38068 
1 1 1   13   22   24 o  154.380   13.608  303.129   51.925  321.531   67.922  277.249   80.549  158.119   17.495  145.126   22.992 12.99287 28.89165 
1 1 1   13   22   25 o  254.512   12.366  816.276   78.597  903.681   95.249  629.769  139.137  267.002   14.338  218.826   25.969 48.17612 29.66414 
1 1 1   13   22   26 o  225.150   11.495  639.698   64.414  716.243   78.253  478.845  113.438  237.878   13.226  191.030   24.332 46.84784 27.69415 
1 1 1   13   22   27 o  288.013   12.525  1045.90   90.079  1077.96  110.110  981.026  156.632  291.350   15.187  274.910   23.028 16.44080 27.58505 
1 1 1   13   22   28 o  270.123   12.121  919.635   81.764  967.813  100.395  824.733  140.905  276.156   14.610  251.989   22.633 24.16734 26.93935 
1 1 1   13   22   29 o   54.269   13.076   38.664   17.512   69.967   22.462  -9.8507   27.963   73.447   12.707   35.446   15.755 38.00148 20.24022 
1 1 1   13   22   30 o  196.111   19.896  498.095   96.085  498.095   96.085   0.0000   0.0000  196.111   19.896  ?   ?  0.000000 19.89555 
1 1 1   13   22   31 o  125.845   11.961  201.605   37.136  201.605   37.136   0.0000   0.0000  125.845   11.961  ?   ?  0.000000 11.96077 
1 1 1   13   22   32 o  212.550   9.6658  568.414   51.304  580.120   61.000  540.120   94.836  214.103   11.451  204.250   18.805 9.853088 22.01664 
1 1 1   13   22   33 o  134.694   9.5069  229.513   31.772  220.997   34.308  280.801   84.198  131.969   10.497  144.486   24.191 -12.51672 26.37044 
1 1 1   13   22   34 o   61.201   13.053   49.337   19.340   49.337   19.340   0.0000   0.0000   61.201   13.053  ?   ?  0.000000 13.05307 
1 1 1   13   22   35 o  211.038   12.190  567.487   63.968  567.487   63.968   0.0000   0.0000  211.038   12.190  ?   ?  0.000000 12.19010 
1 1 1   13   22   36 o  246.220   14.393  780.014   88.112  780.014   88.112   0.0000   0.0000  246.220   14.393  ?   ?  0.000000 14.39320 
1 1 1   13   22   37 o  288.343   23.187  1126.52  165.547  1126.52  165.547   0.0000   0.0000  288.343   23.187  ?   ?  0.000000 23.18716 
1 1 1   13   23    0 o   30.476   14.216 -24.6306   26.580 -24.0839   29.726 -26.8115   59.369   32.974   15.263   49.820   22.484 -16.84559 27.17494 
1 1 1   13   23    1 o  210.482   14.514  564.954   75.823  502.245   99.993  649.796  116.308  196.264   20.715  223.318   21.106 -27.05464 29.57362 
1 1 1   13   23    2 o  142.068   14.732  258.833   51.506  229.729   64.756  308.955   84.980  132.185   20.264  152.728   22.995 -20.54216 30.64911 
1 1 1   13   23    3 o  358.362   27.976  1706.33  248.374   0.0000   0.0000  1706.33  248.374  ?   ?   358.362   27.976 0.000000 27.97628 
1 1 1   13   23    4 o   71.713   19.202   68.228   35.074   71.524   41.797   60.383   64.482   73.645   21.433   73.688   26.915 -0.4257202E-01 34.40623 
1 1 1   13   23    5 o   55.424   18.854   36.625   31.207   40.925   36.904   25.833   58.466   59.092   20.488   61.649   24.793 -2.557426 32.16297 
1 1 1   13   23    6 o  181.856   14.741  421.836   66.365  465.634   88.105  364.395  100.899  189.905   18.827  165.561   25.200 24.34406 31.45626 
1 1 1   13   23    7 o  314.572   17.654  1265.70  138.119  1371.13  191.083  1150.36  199.871  324.383   23.754  294.914   27.455 29.46872 36.30502 
1 1 1   13   23    8 o   95.294   20.553  120.829   47.471  120.829   47.471   0.0000   0.0000   95.294   20.553  ?   ?  0.000000 20.55287 
1 1 1   13   23    9 o  140.456   14.833  252.562   51.240  311.101   66.993  170.045   79.539  155.335   17.580  111.650   28.447 43.68529 33.44092 
1 1 1   13   23   10 o  196.016   14.108  488.386   68.595  446.056   90.993  544.107  104.399  185.630   19.942  204.955   20.681 -19.32521 28.72943 
1 1 1   13   23   11 o  177.450   11.511  398.146   50.732  428.621   59.293  314.865   98.016  183.834   13.000  153.443   26.540 30.39128 29.55316 
1 1 1   13   23   12 o  430.979   16.913  2361.56  182.020  2330.85  221.235  2425.90  320.226  426.219   20.786  427.634   30.181 -1.414825 36.64613 
1 1 1   13   23   13 o  260.898   15.088  864.887   97.883  819.381  132.469  919.613  145.270  251.771   21.269  266.499   22.026 -14.72801 30.61883 
1 1 1   13   23   14 o  131.706   10.763  219.587   35.091  214.939   39.872  235.554   73.905  129.997   12.434  133.432   23.011 -3.435989 26.15574 
1 1 1   13   23   15 o   86.035   12.379   95.162   25.829   94.240   28.215   99.931   64.186   85.345   13.702   87.242   26.841 -1.896461 30.13659 
1 1 1   13   23   16 o  127.631   11.125  206.480   35.104  212.514   39.809  185.386   74.432  129.251   12.490  117.252   26.093 11.99844 28.92800 
1 1 1   13   23   17 o  303.708   24.796  1202.64  186.416   0.0000   0.0000  1202.64  186.416  ?   ?   303.708   24.796 0.000000 24.79598 
1 1 1   13   23   18 o  324.004   16.517  1336.25  133.191  1336.25  133.191   0.0000   0.0000  324.004   16.517  ?   ?  0.000000 16.51650 
1 1 1   13   23   19 o  299.735   23.422  1166.17  173.923  1166.17  173.923   0.0000   0.0000  299.735   23.422  ?   ?  0.000000 23.42248 
1 1 1   13   23   20 o  326.170   13.973  1344.40  113.810  1362.12  137.579  1305.99  202.561  326.995   16.906  315.991   25.898 11.00446 30.92762 
1 1 1   13   23   21 o  144.222   10.775  262.998   38.524  278.616   44.341  214.907   77.808  148.233   12.084  126.619   25.490 21.61449 28.20922 
1 1 1   13   23   22 o   94.145   11.996  113.404   27.562  118.629   30.836   92.644   61.464   96.089   13.199   84.358   26.318 11.73070 29.44225 
1 1 1   13   23   23 o  124.163   11.164  195.504   34.244  209.193   38.983  149.255   71.655  128.262   12.323  105.013   27.131 23.24838 29.79860 
1 1 1   13   23   24 o   65.981   16.648   57.421   27.429   24.309   31.301  166.981   56.936   49.912   18.658  112.405   21.058 -62.49313 28.13440 
1 1 1   13   23   25 o   68.582   14.007   61.565   23.178   59.860   25.636   69.199   54.253   67.412   15.546   74.636   24.859 -7.223602 29.31994 
1 1 1   13   23   26 o   75.879   13.153   74.711   24.021   75.055   26.826   73.319   53.949   75.758   14.711   76.106   24.763 -0.3478622 28.80278 
1 1 1   13   23   27 f  221.356   11.020  616.647   60.913  635.566   73.454  574.988  108.998  223.969   13.192  210.626   21.003 13.34344 24.80230 
1 1 1   13   23   28 o  288.677   12.326  1051.12   88.853  1081.34  108.558  989.793  154.654  291.739   14.951  276.013   22.637 15.72531 27.12889 
1 1 1   13   23   29 o  191.222   18.984  472.286   89.452  472.286   89.452   0.0000   0.0000  191.222   18.984  ?   ?  0.000000 18.98370 
1 1 1   13   23   30 o  255.456   11.265  822.468   71.860  852.210   88.129  763.466  124.128  259.120   13.668  242.663   20.681 16.45619 24.78988 
1 1 1   13   23   31 o  192.174   9.7735  465.809   46.748  497.452   56.391  396.283   83.589  198.248   11.439  174.534   19.512 23.71436 22.61848 
1 1 1   13   23   32 o  142.066   10.071  255.485   35.497  288.470   40.959  155.962   71.146  150.821   10.950  106.459   26.785 44.36234 28.93666 
1 1 1   13   24    0 o   49.805   18.805   23.886   31.959   22.785   36.297   27.686   67.416   51.297   19.870   65.072   26.461 -13.77480 33.09111 
1 1 1   13   24    1 o  136.739   15.440  241.034   51.797  256.299   64.816  214.058   86.165  139.960   19.039  124.510   28.348 15.45019 34.14825 
1 1 1   13   24    2 o   84.676   18.422   95.417   37.846   92.274   44.654  103.431   71.308   82.859   21.423   88.483   28.440 -5.624474 35.60626 
1 1 1   13   24    3 o  244.624   16.434  766.766   99.809  940.709  135.778  562.280  147.217  269.302   20.340  203.272   29.895 66.03026 36.15849 
1 1 1   13   24    4 o  208.578   23.338  572.698  119.475   0.0000   0.0000  572.698  119.475  ?   ?   208.578   23.338 0.000000 23.33802 
1 1 1   13   24    5 o  217.515   14.913  603.597   80.513  589.419  106.839  622.230  122.483  213.007   20.333  217.819   22.859 -4.811737 30.59304 
1 1 1   13   24    6 o  176.852   14.737  399.543   64.493  428.288   84.163  358.656  100.378  181.896   18.800  163.909   25.341 17.98724 31.55329 
1 1 1   13   24    7 o  119.124   15.404  183.121   44.749  191.364   55.580  167.932   75.450  120.835   19.051  110.828   27.414 10.00665 33.38333 
1 1 1   13   24    8 o  242.878   15.366  752.026   92.714  754.894  125.130  748.536  138.055  241.225   20.981  239.113   23.421 2.112289 31.44488 
1 1 1   13   24    9 o  153.945   18.776  307.469   70.685  307.469   70.685   0.0000   0.0000  153.945   18.776  ?   ?  0.000000 18.77616 
1 1 1   13   24   10 o  107.252   15.619  148.975   40.603  141.391   49.887  163.857   69.882  103.321   20.059  109.922   25.886 -6.600937 32.74802 
1 1 1   13   24   11 o  211.034   14.794  567.141   77.469  597.461  104.275  529.791  115.735  215.069   19.632  200.966   23.506 14.10329 30.62579 
1 1 1   13   24   12 o  293.486   13.921  1089.75  102.027  1252.44  123.220  734.988  181.957  313.673   15.781  232.801   32.158 80.87177 35.82136 
1 1 1   13   24   13 o   77.791   12.602   78.258   23.643   65.517   25.563  153.645   62.182   70.610   14.963  106.912   23.892 -36.30230 28.19098 
1 1 1   13   24   14 o  112.478   12.702  161.633   35.053   82.284   40.413  402.679   70.437   78.635   20.404  177.363   16.078 -98.72787 25.97775 
1 1 1   13   24   15 o   94.843   12.139  115.207   28.091  123.170   31.017   78.879   66.247   97.943   13.003   80.169   27.469 17.77413 30.39128 
1 1 1   13   24   16 o  273.156   24.091  973.946  162.646   0.0000   0.0000  973.946  162.646  ?   ?   273.156   24.091 0.000000 24.09099 
1 1 1   13   24   17 o  185.929   11.059  436.607   51.117  426.520   58.975  467.076  102.498  183.370   12.963  189.237   22.107 -5.866241 25.62677 
1 1 1   13   24   18 o  185.083   11.633  433.157   53.494  477.273   62.565  313.248  103.148  194.023   12.988  152.408   28.139 41.61464 30.99142 
1 1 1   13   24   19 o  301.592   23.452  1182.62  175.238  1182.62  175.238   0.0000   0.0000  301.592   23.452  ?   ?  0.000000 23.45239 
1 1 1   13   24   20 o  288.393   12.697  1049.32   91.440  1024.98  109.387  1105.78  166.608  283.913   15.487  291.794   23.053 -7.881470 27.77189 
1 1 1   13   24   21 o   67.671   13.431   59.825   21.896   53.656   23.448  101.851   61.201   63.838   14.968   87.636   26.053 -23.79859 30.04660 
1 1 1   13   24   22 o  305.096   12.795  1174.56   97.482  1137.70  116.963  1258.41  176.403  299.081   15.716  311.498   22.837 -12.41647 27.72206 
1 1 1   13   24   23 o  166.136   10.880  348.732   44.889  354.045   51.502  331.932   91.572  167.105   12.431  158.575   23.864 8.530411 26.90779 
1 1 1   13   24   24 o  124.196   14.580  197.827   44.358  228.577   54.891  139.949   75.307  133.059   16.901  101.647   28.511 31.41131 33.14440 
1 1 1   13   24   25 o  235.060   12.290  698.646   71.890  795.637   85.877  471.500  131.421  250.494   13.782  187.332   29.033 63.16228 32.13777 
1 1 1   13   24   26 o  246.260   11.920  764.446   73.305  804.250   87.985  674.112  132.549  251.749   14.052  226.996   23.734 24.75372 27.58211 
1 1 1   13   24   27 o  203.580   11.149  523.422   56.461  547.988   67.446  465.884  103.218  207.883   13.059  188.779   22.328 19.10451 25.86624 
1 1 1   13   24   28 o  229.145   11.560  663.470   65.935  711.697   79.770  559.460  117.148  236.834   13.544  206.659   23.095 30.17505 26.77362 
1 1 1   13   24   29 o  239.708   20.253  744.104  120.097  744.104  120.097   0.0000   0.0000  239.708   20.253  ?   ?  0.000000 20.25265 
1 1 1   13   24   30 f  343.151   13.789  1492.44  118.156  1487.23  144.625  1502.90  204.897  341.248   16.972  338.271   24.420 2.976746 29.73856 
1 1 1   13   24   31 o  323.180   13.129  1323.42  105.954  1375.01  129.230  1217.61  185.064  328.363   15.760  303.627   24.620 24.73676 29.23227 
1 1 1   13   25    0 o   73.791   21.210   72.685   41.164   72.685   41.164   0.0000   0.0000   73.791   21.210  ?   ?  0.000000 21.21048 
1 1 1   13   25    1 o  188.086   15.598  454.484   72.602  524.376   93.939  350.813  114.410  200.829   18.955  159.147   29.886 41.68193 35.39020 
1 1 1   13   25    2 o  190.642   15.720  466.765   74.171  573.367   97.190  318.088  114.778  210.267   18.705  150.748   31.505 59.51912 36.63903 
1 1 1   13   25    3 o  216.756   15.386  601.553   82.742  632.114  109.193  560.341  126.800  220.351   20.064  204.906   25.319 15.44427 32.30527 
1 1 1   13   25    4 o  170.993   15.224  375.034   64.328  440.049   83.590  280.608  100.739  184.252   18.414  142.603   29.270 41.64905 34.58014 
1 1 1   13   25    5 o  177.461   24.057  418.440  103.863   0.0000   0.0000  418.440  103.863  ?   ?   177.461   24.057 0.000000 24.05741 
1 1 1   13   25    6 o  164.073   15.116  345.101   61.237  401.031   79.103  261.451   96.739  175.972   18.267  137.820   29.025 38.15166 34.29535 
1 1 1   13   25    7 o   77.955   18.824   81.036   36.231  117.053   42.845  -9.3556   67.875   93.918   18.922   57.107   24.994 36.81130 31.34887 
1 1 1   13   25    8 o  217.456   15.123  603.722   81.613  629.069  108.343  570.472  124.089  220.253   19.914  207.755   24.382 12.49779 31.48061 
1 1 1   13   25    9 o   86.148   17.595   98.128   36.572   90.713   43.059  117.328   69.288   82.307   20.909   93.290   27.718 -10.98332 34.71928 
1 1 1   13   25   10 o  132.092   18.664  227.608   59.849  227.608   59.849   0.0000   0.0000  132.092   18.664  ?   ?  0.000000 18.66372 
1 1 1   13   25   11 f  244.844   15.430  764.609   93.859  781.957  126.701  743.509  139.727  245.512   20.864  238.014   23.829 7.497818 31.67167 
1 1 1   13   25   12 o  125.386   14.605  201.924   44.873  182.680   55.442  238.475   76.407  117.891   19.515  133.697   23.756 -15.80577 30.74392 
1 1 1   13   25   13 o  322.112   14.139  1314.23  113.730  1344.82  136.683  1245.38  205.038  324.427   16.930  306.812   27.038 17.61465 31.90101 
1 1 1   13   25   14 f  215.870   10.908  588.249   58.613  523.486   68.045  774.500  115.393  203.010   13.499  245.238   18.991 -42.22823 23.29978 
1 1 1   13   25   15 o  132.666   14.948  225.904   48.659  267.218   60.635  151.173   81.551  143.831   17.225  105.211   29.726 38.62002 34.35576 
1 1 1   13   25   16 o  370.879   15.716  1747.18  145.556  1852.22  176.132  1520.93  258.497  380.602   18.532  336.651   31.100 43.95139 36.20284 
1 1 1   13   25   17 o  158.346   10.912  317.113   42.884  305.260   48.461  359.902   92.076  155.006   12.629  165.401   22.908 -10.39424 26.15829 
1 1 1   13   25   18 o  172.217   11.050  374.928   47.272  378.616   54.279  363.345   96.189  172.735   12.672  165.858   23.915 6.876465 27.06493 
1 1 1   13   25   19 o  194.326   11.137  477.026   53.818  478.405   62.306  472.972  106.805  194.221   12.920  189.996   22.978 4.225266 26.36133 
1 1 1   13   25   20 o  100.278   18.807  132.490   45.364  132.490   45.364   0.0000   0.0000  100.278   18.807  ?   ?  0.000000 18.80664 
1 1 1   13   25   21 o  241.116   12.316  735.252   73.909  775.384   87.398  634.503  138.478  247.107   14.223  219.213   25.790 27.89435 29.45196 
1 1 1   13   25   22 o  275.375   12.540  956.998   86.232  956.388  102.774  958.451  158.495  274.248   15.064  271.014   23.656 3.234497 28.04574 
1 1 1   13   25   23 o  315.684   13.907  1260.83  109.631  1317.78  131.742  1132.61  197.697  321.492   16.465  292.668   27.368 28.82474 31.93935 
1 1 1   13   25   24 o  216.590   11.357  592.542   61.210  572.778   71.408  647.294  118.851  212.423   13.532  223.169   21.596 -10.74597 25.48570 
1 1 1   13   25   25 o  171.069   13.674  372.452   57.925  354.005   73.930  401.780   93.219  165.549   18.183  175.292   21.764 -9.742722 28.35987 
1 1 1   13   25   26 o  229.517   12.065  666.336   68.905  723.630   81.874  527.216  127.581  238.743   13.792  199.177   26.293 39.56641 29.69080 
1 1 1   13   25   27 o  156.737   10.925  310.879   42.495  339.051   49.245  228.729   84.092  163.468   12.150  129.850   26.821 33.61781 29.44501 
1 1 1   13   25   28 o  115.712   10.436  169.898   29.831  187.298   34.375  116.826   60.035  121.344   11.481   92.923   25.225 28.42092 27.71471 
1 1 1   13   25   29 o  130.740   9.7907  216.242   31.733  215.598   37.740  217.799   58.622  130.175   11.736  129.040   18.740 1.134735 22.11170 
1 1 1   13   25   30 o  222.781   10.884  626.012   60.552  624.953   73.938  628.169  105.518  221.625   13.423  219.991   19.406 1.633575 23.59626 
1 1 1   13   26    0 o  108.951   17.213  156.145   45.275  162.041   52.888  139.968   87.596  110.143   19.964  100.263   31.441 9.879333 37.24345 
1 1 1   13   26    1 o   75.710   21.156   77.046   41.544   77.046   41.544   0.0000   0.0000   75.710   21.156  ?   ?  0.000000 21.15587 
1 1 1   13   26    2 o   61.017   19.695   47.290   34.170   85.547   38.593 -91.4924   73.505   79.771   19.531   46.744   22.344 33.02766 29.67642 
1 1 1   13   26    3 o  142.702   15.546  262.913   54.504  289.123   67.536  213.955   92.303  148.721   18.591  123.418   30.197 25.30235 35.46068 
1 1 1   13   26    4 o  153.505   15.414  303.441   58.287  340.138   72.684  237.325   97.561  161.633   18.332  130.069   30.556 31.56429 35.63314 
1 1 1   13   26    5 o  134.033   14.974  231.470   49.263  221.307   60.447  251.572   85.010  129.735   19.241  135.964   25.985 -6.228821 32.33339 
1 1 1   13   26    6 o  163.578   25.137  359.207   99.394   0.0000   0.0000  359.207   99.394  ?   ?   163.578   25.137 0.000000 25.13664 
1 1 1   13   26    7 o  133.809   15.165  230.684   49.778  231.042   61.083  229.977   85.891  132.794   18.958  129.484   27.417 3.310165 33.33336 
1 1 1   13   26    8 o  211.188   15.050  570.134   78.851  570.405  102.790  569.748  122.914  209.447   19.892  207.402   24.186 2.044449 31.31541 
1 1 1   13   26    9 o  159.339   14.745  325.259   58.007  330.221   72.755  316.602   96.103  159.381   18.631  153.239   26.046 6.142120 32.02398 
1 1 1   13   26   10 o  148.848   15.546  284.896   56.933  370.907   72.428  145.815   92.100  169.486   17.358  103.351   32.211 66.13473 36.59051 
1 1 1   13   26   11 o  115.357   18.919  174.921   52.611  174.921   52.611   0.0000   0.0000  115.357   18.919  ?   ?  0.000000 18.91937 
1 1 1   13   26   12 o  231.240   15.726  683.487   90.270  764.762  120.987  581.425  135.579  242.921   20.126  208.699   26.621 34.22148 33.37264 
1 1 1   13   26   13 o  276.125   17.257  977.310  118.399  1197.48  162.593  728.769  172.751  303.608   21.586  231.838   30.586 71.77037 37.43601 
1 1 1   13   26   14 o  206.279   11.882  538.704   60.950  570.341   71.062  450.664  118.544  211.853   13.503  183.514   26.647 28.33914 29.87269 
1 1 1   13   26   15 o   85.369   12.676   94.020   26.203   89.317   28.194  123.818   70.974   82.853   14.134   95.677   27.953 -12.82442 31.32315 
1 1 1   13   26   16 o  311.265   23.910  1267.41  184.429  1267.41  184.429   0.0000   0.0000  311.265   23.910  ?   ?  0.000000 23.90998 
1 1 1   13   26   17 o  103.376   11.432  136.309   29.016  123.595   31.410  210.327   75.787   98.027   13.164  124.911   25.166 -26.88393 28.40134 
1 1 1   13   26   18 o   87.509   12.511   98.593   26.563  105.956   28.612   52.644   71.473   90.673   13.009   73.307   28.015 17.36606 30.88827 
1 1 1   13   26   19 o  247.438   12.278  772.831   75.868  785.420   89.608  740.961  142.578  248.511   14.502  237.443   24.393 11.06837 28.37815 
1 1 1   13   26   20 o   91.104   11.593  106.275   25.776  100.646   27.479  147.507   74.375   88.371   12.827  103.963   28.016 -15.59237 30.81242 
1 1 1   13   26   21 o  327.561   24.677  1405.54  200.369  1405.54  200.369   0.0000   0.0000  327.561   24.677  ?   ?  0.000000 24.67683 
1 1 1   13   26   22 o   62.590   13.429   51.405   20.361   48.655   21.279   81.228   70.076   60.782   14.264   81.457   28.233 -20.67403 31.63183 
1 1 1   13   26   23 o   92.865   11.671  110.405   26.468  115.723   28.219   71.517   76.313   95.008   12.174   79.812   29.261 15.19660 31.69263 
1 1 1   13   26   24 o  257.282   12.526  836.052   80.476  862.808   95.085  768.483  151.100  260.418   14.681  241.245   25.467 19.17293 29.39528 
1 1 1   13   26   25 o  130.855   13.661  219.025   43.981  181.991   52.225  309.347   81.558  117.974   18.321  153.295   21.930 -35.32057 28.57642 
1 1 1   13   26   26 o  205.417   12.327  534.820   62.938  631.028   73.903  280.835  120.078  222.915   13.337  141.148   34.385 81.76646 36.88078 
1 1 1   13   26   27 o  227.912   12.216  658.032   69.272  710.117   82.207  530.477  128.648  236.262   13.996  199.208   26.520 37.05452 29.98655 
1 1 1   13   26   28 o  114.321   10.120  165.818   28.592  163.245   31.993  176.027   63.724  113.165   11.480  114.386   23.105 -1.221046 25.79958 
1 1 1   13   26   29 o   52.503   10.862   36.034   13.771   33.584   14.792   51.962   37.720   50.551   11.913   64.005   20.697 -13.45321 23.88038 
1 1 1   13   26   30 o  183.217   10.195  424.529   46.459  418.455   56.587  437.092   81.379  181.300   12.577  183.514   17.989 -2.213486 21.94953 
1 1 1   13   27    0 o  146.999   16.258  281.131   58.683  313.572   70.823  210.075  104.816  154.358   18.759  119.942   33.635 34.41656 38.51256 
1 1 1   13   27    1 o  169.990   16.411  374.744   68.799  467.041   86.141  212.160  114.329  189.036   18.485  120.252   35.576 68.78397 40.09172 
1 1 1   13   27    2 o   60.394   19.501   46.500   33.497   36.783   36.653   95.757   82.521   56.823   20.356   86.616   30.595 -29.79324 36.74819 
1 1 1   13   27    3 o  107.751   19.709  154.969   51.078  154.969   51.078   0.0000   0.0000  107.751   19.709  ?   ?  0.000000 19.70917 
1 1 1   13   27    4 o  221.358   16.570  631.889   90.931  788.885  120.398  423.425  138.736  245.870   19.777  172.586   33.398 73.28459 38.81436 
1 1 1   13   27    5 o  152.476   15.484  299.897   58.140  339.671   72.378  227.544   97.618  161.397   18.280  126.834   31.067 34.56264 36.04625 
1 1 1   13   27    6 o   87.995   17.776  102.894   37.717   83.857   43.104  165.096   77.916   78.914   21.354  108.897   28.369 -29.98298 35.50714 
1 1 1   13   27    7 o  229.408   24.535  700.152  138.375   0.0000   0.0000  700.152  138.375  ?   ?   229.408   24.535 0.000000 24.53491 
1 1 1   13   27    8 o  248.958   16.949  797.352  104.741  981.806  141.206  571.718  156.175  274.425   20.759  203.104   31.839 71.32045 38.00841 
1 1 1   13   27    9 o  205.906   15.731  543.892   80.277  629.326  104.980  423.586  124.576  220.149   19.290  175.726   29.429 44.42319 35.18824 
1 1 1   13   27   10 o   56.273   18.751   38.862   30.866   44.393   34.248   14.938   71.232   59.781   19.744   63.452   26.626 -3.671261 33.14756 
1 1 1   13   27   11 o   53.816   18.229   34.840   29.170   34.357   32.023   37.194   70.700   54.483   19.074   68.639   27.382 -14.15601 33.37062 
1 1 1   13   27   12 o  303.104   23.735  1207.40  178.217  1207.40  178.217   0.0000   0.0000  303.104   23.735  ?   ?  0.000000 23.73506 
1 1 1   13   27   13 o   92.658   17.324  113.160   38.612  132.424   44.957   58.999   75.382  100.062   18.679   75.818   28.820 24.24413 34.34340 
1 1 1   13   27   14 o  117.706   28.134  190.809   81.571   0.0000   0.0000  190.809   81.571  ?   ?   117.706   28.134 0.000000 28.13418 
1 1 1   13   27   15 o  122.059   18.475  195.017   54.552  195.017   54.552   0.0000   0.0000  122.059   18.475  ?   ?  0.000000 18.47528 
1 1 1   13   27   16 o  105.439   11.665  141.965   30.200  139.632   32.671  155.664   79.162  104.322   12.810  106.341   29.007 -2.019638 31.70959 
1 1 1   13   27   17 o  245.991   15.143  771.910   92.571  735.673  121.983  821.118  142.148  237.932   20.738  250.368   22.993 -12.43600 30.96316 
1 1 1   13   27   18 o  185.673   10.519  435.517   48.571  378.136   54.730  648.279  105.387  172.469   12.799  223.979   19.022 -51.51004 22.92704 
1 1 1   13   27   19 o   76.861   12.776   76.615   23.661   79.175   25.032   55.147   72.495   78.047   13.322   74.145   28.244 3.902138 31.22765 
1 1 1   13   27   20 o   89.385   11.686  102.470   25.461  101.026   27.043  113.740   75.549   88.559   12.582   92.463   29.227 -3.903366 31.82041 
1 1 1   13   27   21 o  219.592   19.578  624.419  106.233  624.419  106.233   0.0000   0.0000  219.592   19.578  ?   ?  0.000000 19.57813 
1 1 1   13   27   22 o  256.573   12.788  832.407   81.934  886.289   96.513  693.366  155.036  263.824   14.708  227.494   27.874 36.33025 31.51595 
1 1 1   13   27   23 o  112.543   10.865  161.045   30.155  148.880   32.228  246.559   85.449  107.912   12.172  134.903   26.310 -26.99155 28.98922 
1 1 1   13   27   24 o   68.428   12.980   61.138   21.369   64.543   22.216   19.038   78.116   70.323   13.134   67.019   27.985 3.304192 30.91419 
1 1 1   13   27   25 o  142.118   15.401  259.838   53.783  313.653   65.412  147.543   94.491  155.798   17.094  103.964   32.664 51.83456 36.86599 
1 1 1   13   27   26 o  218.476   11.377  603.978   61.857  577.059   71.596  683.229  122.847  212.952   13.534  228.534   21.790 -15.58232 25.65076 
1 1 1   13   27   27 o  213.699   12.060  579.151   64.095  609.538   74.949  496.430  123.660  218.738   13.792  192.184   26.469 26.55429 29.84657 
1 1 1   13   27   28 f   75.324   11.772   73.384   21.417   83.016   23.015   11.151   58.503   80.198   11.849   57.470   24.124 22.72771 26.87659 
1 1 1   13   27   29 o   96.059   11.113  118.094   26.166  134.882   29.355   53.165   57.731  102.624   11.662   69.090   25.432 33.53376 27.97842 
1 1 1   13   27   30 f   56.962   8.4997   41.699   11.720   34.458   13.268   67.418   25.006   51.293   10.705   71.465   14.508 -20.17221 18.02947 
1 1 1   13   28    0 o   97.761   19.313  129.057   45.477  151.540   52.138   57.538   92.990  105.696   20.493   78.007   31.304 27.68855 37.41569 
1 1 1   13   28    1 o  139.851   16.790  256.068   57.466  314.244   68.915  123.294  104.111  154.516   18.210   95.679   34.304 58.83625 38.83786 
1 1 1   13   28    2 o  201.337   17.372  527.933   86.487  734.037  112.130  225.236  135.889  236.634   19.139  122.102   39.262 114.5318 43.67885 
1 1 1   13   28    3 o   78.971   19.581   84.376   38.425  104.326   42.777   1.0384   87.430   87.789   19.964   65.681   28.564 22.10836 34.84946 
1 1 1   13   28    4 o  168.340   19.021  372.117   78.556  372.117   78.556   0.0000   0.0000  168.340   19.021  ?   ?  0.000000 19.02076 
1 1 1   13   28    5 o  213.721   16.495  590.186   87.351  725.877  114.455  400.897  135.183  235.554   19.637  167.166   33.550 68.38838 38.87406 
1 1 1   13   28    6 o  186.649   15.681  449.039   72.410  502.181   91.874  361.900  117.647  196.068   19.003  160.638   30.442 35.43027 35.88656 
1 1 1   13   28    7 f  137.723   16.350  246.356   55.132  321.888   67.716   97.854   94.950  157.242   17.545   89.319   32.655 67.92282 37.06997 
1 1 1   13   28    8 o   84.641   18.662   95.898   38.383   97.075   43.770   91.977   79.857   84.757   20.829   85.461   30.107 -0.7039108 36.60948 
1 1 1   13   28    9 o  283.458   18.393  1039.87  129.491  1355.85  176.878  674.919  190.089  321.332   22.179  217.203   36.329 104.1289 42.56432 
1 1 1   13   28   10 o  231.729   15.874  689.383   91.303  735.030  119.799  626.127  141.026  237.231   20.421  215.448   26.791 21.78313 33.68654 
1 1 1   13   28   11 o  145.511   14.746  272.261   52.843  254.488   63.722  311.394   94.557  139.382   18.786  151.541   25.918 -12.15887 32.01065 
1 1 1   13   28   12 o  196.293   15.811  494.947   76.847  592.252   99.505  351.136  120.969  213.628   18.846  158.411   31.687 55.21658 36.86734 
1 1 1   13   28   14 o   87.521   19.382  102.419   41.242  102.419   41.242   0.0000   0.0000   87.521   19.382  ?   ?  0.000000 19.38167 
1 1 1   13   28   15 o   89.760   17.281  106.443   37.329  119.931   42.582   61.666   77.583   95.069   18.602   76.955   29.241 18.11430 34.65641 
1 1 1   13   28   16 o  226.363   14.333  653.504   80.600  557.190  103.163  804.409  129.132  206.765   20.240  248.375   21.017 -41.61021 29.17804 
1 1 1   13   28   17 o  121.632   11.366  188.318   34.122  187.860   37.082  190.849   87.161  121.260   12.421  117.126   29.744 4.134048 32.23383 
1 1 1   13   28   18 o  197.224   14.814  497.283   72.426  508.358   92.220  479.456  116.996  198.005   18.880  189.487   25.362 8.517990 31.61714 
1 1 1   13   28   19 o   61.406   13.936   49.704   20.880   45.885   21.708   96.901   76.313   58.948   14.776   86.970   29.484 -28.02205 32.97891 
1 1 1   13   28   20 o  144.872   10.884  266.099   39.086  264.197   43.071  274.973   93.044  144.098   12.081  142.050   27.221 2.047043 29.78110 
1 1 1   13   28   21 f  136.958   11.105  238.126   37.653  254.998   41.371  156.725   90.874  141.610   11.807  106.438   31.770 35.17126 33.89307 
1 1 1   13   28   22 o  197.092   18.629  503.196   90.600  503.196   90.600   0.0000   0.0000  197.092   18.629  ?   ?  0.000000 18.62894 
1 1 1   13   28   23 o  266.881   12.691  901.517   84.580  928.939   99.372  829.423  161.128  269.871   14.802  249.382   26.269 20.48987 30.15192 
1 1 1   13   28   24 o  104.875   11.166  140.331   28.794  141.878   30.552  128.034   86.138  105.325   11.820   97.388   31.253 7.936806 33.41390 
1 1 1   13   28   25 o  263.738   12.318  880.232   81.128  835.506   94.297  1007.66  159.163  255.784   14.827  276.661   23.254 -20.87761 27.57817 
1 1 1   13   28   26 o  101.118   15.313  133.158   37.456  117.740   41.959  193.641   83.106   94.119   18.512  118.002   28.519 -23.88242 34.00076 
1 1 1   13   28   27 o   56.172   12.237   41.479   16.679   42.993   17.178   16.552   69.699   57.185   12.388   63.024   26.386 -5.839462 29.14933 
1 1 1   13   28   28 o  196.071   10.515  486.795   51.296  464.440   58.964  556.364  104.019  190.971   12.432  205.809   20.513 -14.83743 23.98596 
1 1 1   13   28   29 o  250.249   20.597  823.138  127.569  823.138  127.569   0.0000   0.0000  250.249   20.597  ?   ?  0.000000 20.59651 
1 1 1   13   28   30 o  122.953   9.0255  191.576   27.518  213.541   35.287  157.486   43.960  129.396   11.026  109.416   16.611 19.98038 19.93698 
1 1 1   13   29    0 o  161.290   16.719  342.355   66.362  414.259   80.777  193.058  116.395  176.536   18.603  111.721   36.374 64.81525 40.85503 
1 1 1   13   29    1 o   65.461   28.447   6.3512   86.580   0.0000   0.0000   6.3512   86.580  ?   ?    65.461   28.447 0.000000 28.44672 
1 1 1   13   29    2 o  154.464   16.323  311.985   62.009  365.333   74.855  195.316  110.699  166.339   18.325  113.925   35.283 52.41348 39.75763 
1 1 1   13   29    3 o   75.090   19.785   76.686   37.621   98.474   41.630 -20.3609   87.861   85.009   19.953   61.766   27.656 23.24345 34.10248 
1 1 1   13   29    4 o  124.260   17.581  203.732   53.030  278.084   62.742   17.778   99.224  145.480   17.631   72.021   30.867 73.45832 35.54752 
1 1 1   13   29    5 o  128.390   18.803  218.485   58.499  218.485   58.499   0.0000   0.0000  128.390   18.803  ?   ?  0.000000 18.80334 
1 1 1   13   29    6 o  126.150   16.614  208.232   51.066  250.566   60.425  102.446   95.520  138.071   17.950   89.883   32.770 48.18808 37.36378 
1 1 1   13   29    7 o  133.839   16.156  233.236   52.903  273.459   63.497  141.942   95.661  144.389   18.001  100.753   32.984 43.63615 37.57620 
1 1 1   13   29    8 o  204.596   16.737  541.896   84.762  698.150  110.016  313.667  132.961  231.129   19.236  145.564   36.612 85.56467 41.35803 
1 1 1   13   29    9 o   91.569   17.808  111.595   39.255  109.071   44.584  120.303   82.800   89.846   20.344   93.949   30.683 -4.102768 36.81508 
1 1 1   13   29   10 o   59.300   26.046  -9.1558   74.291   0.0000   0.0000  -9.1558   74.291  ?   ?    59.300   26.046 0.000000 26.04625 
1 1 1   13   29   11 o  180.197   15.098  417.506   67.311  423.458   83.534  406.487  113.663  180.061   18.858  172.382   27.315 7.678619 33.19214 
1 1 1   13   29   12 f  169.385   27.821  393.405  113.591   0.0000   0.0000  393.405  113.591  ?   ?   169.385   27.821 0.000000 27.82068 
1 1 1   13   29   13 o   58.431   18.451   43.684   30.115   45.642   32.380   31.144   81.948   59.862   19.157   70.414   28.965 -10.55261 34.72676 
1 1 1   13   29   14 o  102.571   18.759  139.634   46.279  139.634   46.279   0.0000   0.0000  102.571   18.759  ?   ?  0.000000 18.75913 
1 1 1   13   29   15 o  163.020   14.895  341.416   59.964  348.707   72.870  326.122  105.535  163.681   18.132  153.832   28.523 9.849060 33.79860 
1 1 1   13   29   16 o   79.416   17.567   84.017   33.914   78.446   37.423  109.615   80.215   76.472   19.528   90.984   30.224 -14.51154 35.98376 
1 1 1   13   29   17 f  104.978   16.355  144.081   41.477  164.593   47.433   77.446   85.492  112.005   17.534   82.706   30.851 29.29843 35.48594 
1 1 1   13   29   18 o  114.787   11.605  168.183   32.809  180.504   35.299   89.957   88.941  118.857   12.060   86.685   31.618 32.17196 33.84031 
1 1 1   13   29   19 o   84.506   16.621   94.391   33.825   85.291   37.019  140.400   83.238   79.822   18.869  100.860   30.474 -21.03812 35.84311 
1 1 1   13   29   20 o   45.131   14.218   25.628   17.890   28.079   18.385 -18.0503   77.608   46.901   14.355   59.251   26.295 -12.35020 29.95813 
1 1 1   13   29   21 o   86.424   12.129   96.285   25.455  104.512   26.726   15.902   83.540   90.091   12.193   67.871   28.676 22.22037 31.16043 
1 1 1   13   29   22 o  183.201   11.077  425.335   50.438  411.507   56.385  480.715  112.838  179.787   12.639  189.752   24.377 -9.964828 27.45877 
1 1 1   13   29   23 o  161.326   17.344  337.682   68.775  337.682   68.775   0.0000   0.0000  161.326   17.344  ?   ?  0.000000 17.34403 
1 1 1   13   29   24 o  163.051   10.385  336.729   42.064  310.446   45.875  475.503  105.413  156.192   11.850  189.309   22.754 -33.11720 25.65481 
1 1 1   13   29   25 o  320.338   13.838  1305.83  110.699  1293.14  130.944  1337.63  207.241  317.077   16.595  315.477   26.553 1.600494 31.31244 
1 1 1   13   29   26 o  114.767   10.948  167.965   30.995  171.939   32.906  136.698   92.299  116.002   11.511   99.502   32.390 16.50037 34.37522 
1 1 1   13   29   27 o  311.933   13.471  1239.21  104.934  1214.29  124.253  1301.18  195.948  307.016   16.265  311.089   25.446 -4.072601 30.20020 
1 1 1   13   29   28 o  116.913   8.9422  173.242   25.909  149.377   27.420  372.117   79.153  108.243   10.267  168.094   19.201 -59.85023 21.77380 
1 1 1   13   29   29 o   40.875   13.317   20.660   15.601   23.526   16.011 -33.1374   69.368   43.032   13.433   52.641   23.973 -9.609158 27.48021 
1 1 1   13   29   30 o   96.042   8.7577  117.292   20.773  122.396   25.109  106.222   36.979   97.762   10.447   89.105   17.242 8.657066 20.16021 
1 1 1   13   30    0 o  225.224   19.526  685.224  108.732  1044.23  142.812  190.123  167.712  276.932   20.803  107.415   42.386 169.5178 47.21625 
1 1 1   13   30    1 o   77.758   19.470   83.662   37.722   89.772   40.904   48.919   97.542   80.313   20.366   75.379   31.357 4.933922 37.39030 
1 1 1   13   30    2 o  149.180   31.730  332.914  114.568   0.0000   0.0000  332.914  114.568  ?   ?   149.180   31.730 0.000000 31.72989 
1 1 1   13   30    3 o   92.601   18.373  116.170   40.987  125.192   45.487   77.213   94.517   95.728   19.686   81.769   31.955 13.95909 37.53185 
1 1 1   13   30    4 o  190.674   17.846  478.924   83.985  695.589  107.467  138.995  134.610  229.341   18.934  100.601   38.447 128.7404 42.85607 
1 1 1   13   30    5 o  148.067   16.283  286.948   59.213  330.917   70.443  181.077  109.309  158.280   18.150  110.042   35.196 48.23736 39.60018 
1 1 1   13   30    6 o  113.721   18.952  173.092   51.927  173.092   51.927   0.0000   0.0000  113.721   18.952  ?   ?  0.000000 18.95249 
1 1 1   13   30    7 o   85.089   18.512   97.705   38.216  111.809   42.295   34.993   89.187   90.938   19.226   72.389   30.038 18.54887 35.66391 
1 1 1   13   30    8 o  137.574   16.834  247.830   56.627  326.315   67.733   65.595  103.209  157.845   17.477   82.361   33.005 75.48430 37.34671 
1 1 1   13   30    9 o  194.649   16.827  492.384   80.986  638.712  103.549  261.876  129.964  220.746   18.969  131.619   37.645 89.12697 42.15381 
1 1 1   13   30   10 o   44.761   17.404   17.026   27.925   18.787   29.770   4.1239   80.578   46.427   17.992   63.876   27.600 -17.44869 32.94656 
1 1 1   13   30   11 o  167.964   28.351  391.897  114.681   0.0000   0.0000  391.897  114.681  ?   ?   167.964   28.351 0.000000 28.35087 
1 1 1   13   30   12 o  148.627   16.485  287.250   60.151  361.823   72.248  118.782  108.591  166.548   17.640   95.916   34.944 70.63206 39.14442 
1 1 1   13   30   13 o   72.785   18.746   71.208   34.279   81.229   37.177   14.347   88.558   77.625   19.269   68.726   29.300 8.899681 35.06799 
1 1 1   13   30   14 f  118.902   15.340  183.691   44.485  168.943   50.397  235.719   94.657  112.964   18.507  129.118   29.940 -16.15353 35.19752 
1 1 1   13   30   15 o  152.566   17.998  304.202   67.251  304.202   67.251   0.0000   0.0000  152.566   17.998  ?   ?  0.000000 17.99833 
1 1 1   13   30   16 f  121.655   15.319  192.031   45.507  183.796   51.728  220.231   95.717  118.109   18.117  124.485   30.928 -6.376839 35.84365 
1 1 1   13   30   17 o   52.160   17.632   32.980   27.292   41.424   28.955 -34.2876   81.721   56.980   18.103   57.937   26.242 -0.9562111 31.88000 
1 1 1   13   30   18 o   61.253   17.724   49.461   28.659   55.280   30.641   8.8196   80.983   64.540   18.216   65.292   27.932 -0.7518768 33.34703 
1 1 1   13   30   19 o  115.866   11.248  171.325   32.135  173.731   34.242  153.564   93.030  116.529   11.936  104.574   32.338 11.95453 34.47009 
1 1 1   13   30   20 o  126.248   11.511  203.316   35.891  227.270   38.696   55.841   96.013  133.482   11.728   79.540   31.848 53.94292 33.93876 
1 1 1   13   30   21 o  179.841   11.297  410.720   50.478  418.932   56.025  375.299  116.353  181.314   12.449  164.259   29.448 17.05537 31.97113 
1 1 1   13   30   22 o  167.798   11.280  357.803   46.991  377.749   52.000  268.966  109.741  172.189   12.172  136.928   32.569 35.26100 34.76903 
1 1 1   13   30   23 o  104.817   10.771  140.293   27.792  128.908   29.139  254.971   92.480  100.182   11.879  135.109   28.316 -34.92728 30.70677 
1 1 1   13   30   24 o  111.215   12.051  158.660   32.934  158.660   32.934   0.0000   0.0000  111.215   12.051  ?   ?  0.000000 12.05127 
1 1 1   13   30   25 o  275.900   12.603  967.818   86.828  999.285  101.134  879.598  169.339  279.163   14.558  253.802   27.139 25.36041 30.79704 
1 1 1   13   30   26 o   92.844   10.634  110.459   24.211  105.617   25.107  174.703   91.446   90.597   11.346  110.034   31.610 -19.43655 33.58426 
1 1 1   13   30   27 o  118.891   15.186  184.323   44.056  183.055   49.776  188.906   94.650  117.692   17.466  113.805   31.979 3.887268 36.43818 
1 1 1   13   30   28 o   37.266   11.856   17.379   12.416   15.350   12.716   58.887   57.511   35.803   12.036   70.099   25.447 -34.29603 28.14983 
1 1 1   13   30   29 o   43.429   11.685   24.828   12.950   22.255   13.540   52.412   44.340   41.432   12.239   64.743   22.457 -23.31182 25.57561 
1 1 1   13   30   30 o   69.473   9.4930   62.179   16.038   53.640   18.351   89.793   33.000   63.872   11.945   81.710   16.736 -17.83882 20.56099 
1 1 1   13   31    0 o  105.409   17.486  152.450   44.414  153.372   48.977  148.180  105.376  104.667   19.454   94.979   34.451 9.687767 39.56421 
1 1 1   13   31    1 f  122.121   18.103  203.568   53.536  277.988   61.836 -19.1646  106.976  143.289   17.655   65.036   29.677 78.25303 34.53131 
1 1 1   13   31    2 o   80.601   18.437   90.004   36.304   73.392   39.127  192.801   97.333   72.335   20.644  109.967   32.893 -37.63172 38.83413 
1 1 1   13   31    3 o   70.910   29.918   36.680   90.724   0.0000   0.0000   36.680   90.724  ?   ?    70.910   29.918 0.000000 29.91759 
1 1 1   13   31    4 o  110.198   18.092  164.078   48.059  217.864   54.722 -17.3261  100.497  127.512   17.659   64.937   29.285 62.57534 34.19719 
1 1 1   13   31    5 o  100.665   17.847  136.726   43.221  160.483   48.282   40.890   96.973  109.018   18.389   74.097   31.079 34.92117 36.11163 
1 1 1   13   31    6 o  148.905   16.510  292.039   60.358  340.285   71.178  168.535  113.881  160.037   18.130  105.381   36.015 54.65597 40.32145 
1 1 1   13   31    7 o   28.558   13.237 -18.1844   22.477 -18.1844   22.477   0.0000   0.0000   28.558   13.237  ?   ?  0.000000 13.23714 
1 1 1   13   31    8 o  188.541   17.528  467.198   81.579  618.997  101.701  193.260  136.620  216.297   19.022  112.402   39.395 103.8950 43.74702 
1 1 1   13   31    9 o  187.118   16.604  457.218   76.779  560.777   96.080  274.233  127.716  206.092   18.879  133.308   37.038 72.78436 41.57169 
1 1 1   13   31   10 o  123.636   33.601  227.819  106.453   0.0000   0.0000  227.819  106.453  ?   ?   123.636   33.601 0.000000 33.60114 
1 1 1   13   31   11 o   45.425   17.269   19.728   27.069   30.797   28.547 -78.9561   85.236   51.235   18.005   52.653   24.844 -1.417625 30.68193 
1 1 1   13   31   12 o   56.004   25.850 -51.0186   84.394   0.0000   0.0000 -51.0186   84.394  ?   ?    56.004   25.850 0.000000 25.84955 
1 1 1   13   31   13 o  155.519   16.767  315.773   64.087  416.621   77.749  102.024  113.191  178.447   17.680   91.911   35.225 86.53647 39.41272 
1 1 1   13   31   14 o   39.799   15.976   10.378   24.225   11.166   25.282   1.5397   84.684   40.770   16.336   64.655   28.115 -23.88474 32.51666 
1 1 1   13   31   15 o   25.206   11.832 -19.2994   18.900 -23.8029   19.382   67.840   85.260   24.517   11.650   79.163   30.512 -54.64561 32.66084 
1 1 1   13   31   16 o  263.861   21.875  923.930  142.837  923.930  142.837   0.0000   0.0000  263.861   21.875  ?   ?  0.000000 21.87502 
1 1 1   13   31   17 o   53.594   17.417   36.225   26.693   42.884   28.040 -28.1374   87.178   57.460   17.751   60.637   27.317 -3.176529 32.57767 
1 1 1   13   31   18 o  108.140   16.618  153.870   43.441  189.141   48.966   23.492   94.143  120.061   16.791   71.893   30.412 48.16800 34.73947 
1 1 1   13   31   19 o  102.304   16.496  137.917   40.709  161.407   45.282   38.915   92.962  110.710   16.916   74.600   30.787 36.10924 35.12847 
1 1 1   13   31   20 o   62.249   13.660   51.299   20.651   49.024   21.253   89.750   87.383   60.754   14.254   85.268   31.304 -24.51398 34.39655 
1 1 1   13   31   21 o  160.954   11.254  329.904   44.949  346.240   49.322  249.842  109.189  164.669   12.078  130.611   33.358 34.05861 35.47776 
1 1 1   13   31   22 o  166.847   10.417  353.506   43.186  319.672   46.806  547.231  111.999  158.209   11.935  202.132   22.574 -43.92227 25.53498 
1 1 1   13   31   23 o  132.640   10.583  224.110   34.761  205.558   36.923  368.723  103.085  126.684   11.807  163.460   26.135 -36.77676 28.67812 
1 1 1   13   31   24 o  160.823   15.907  336.451   63.046  393.660   74.595  193.406  117.954  173.385   17.466  113.835   36.577 59.55069 40.53341 
1 1 1   13   31   25 o   29.634   11.619   6.7068   12.526   6.2390   12.653   29.642   88.599   29.452   11.636   70.919   29.724 -41.46708 31.92034 
1 1 1   13   31   26 o  119.338   10.183  181.673   30.054  189.509   32.856  141.510   74.386  121.711   10.927   99.308   28.503 22.40279 30.52567 
1 1 1   13   31   27 o   64.824   10.616   54.661   16.590   39.609   17.124  284.893   66.970   54.606   12.783  146.276   18.767 -91.67007 22.70680 
1 1 1   13   31   28 o   61.096   11.097   48.898   16.307   52.556   17.028   8.4705   56.610   63.379   11.167   54.983   23.433 8.395847 25.95801 
1 1 1   13   31   29 o   42.703   12.200   23.917   13.657   24.178   14.333   21.346   44.999   43.009   12.561   53.615   21.684 -10.60575 25.05958 
1 1 1   13   31   30 f   34.288   12.349   12.841   13.505   13.489   14.511   8.6439   36.930   35.304   12.787   45.883   19.208 -10.57890 23.07511 
1 1 1   13   31   31 o   28.729   10.890   7.6555   10.745   14.764   14.384  -1.3187   16.162   36.058   12.770   28.566   12.352 7.492369 17.76609 
1 1 1   13   32    0 o   56.284   18.883   43.298   31.300   43.298   31.300   0.0000   0.0000   56.284   18.883  ?   ?  0.000000 18.88310 
1 1 1   13   32    1 o  131.319   17.275  237.155   55.275  282.410   63.604   97.512  111.728  142.701   18.268   82.022   33.790 60.67953 38.41180 
1 1 1   13   32    2 o   60.636   18.917   50.932   31.755   63.031   33.680 -45.9099   95.287   66.763   19.184   57.349   26.808 9.413742 32.96507 
1 1 1   13   32    3 o   41.220   16.571   12.816   26.109   4.8949   27.151  110.195   95.193   38.768   16.362   85.706   32.432 -46.93752 36.32554 
1 1 1   13   32    4 o   63.688   28.470  -1.5673   92.705   0.0000   0.0000  -1.5673   92.705  ?   ?    63.688   28.470 0.000000 28.47020 
1 1 1   13   32    5 o  145.908   18.053  287.818   64.373  412.933   76.996  -2.7272  117.333  175.207   17.847   70.313   31.682 104.8945 36.36312 
1 1 1   13   32    6 o   54.198   18.645   36.959   30.533   55.796   32.356 -116.1942   92.259   63.860   18.934   50.126   24.232 13.73383 30.75194 
1 1 1   13   32    7 o  123.903   16.845  205.053   50.769  239.164   58.026   93.693  104.844  133.446   17.861   85.559   33.592 47.88758 38.04533 
1 1 1   13   32    8 o  211.690   18.918  599.340   98.952  866.752  127.308  191.217  157.275  253.616   20.271  109.217   41.601 144.3988 46.27671 
1 1 1   13   32    9 o  139.563   18.085  260.280   61.548  358.127   71.720 -13.1528  119.891  164.171   17.778   71.232   32.068 92.93819 36.66592 
1 1 1   13   32   10 o  137.177   18.167  251.182   60.700  378.901   72.200 -56.7353  112.105  169.334   17.318   63.826   29.577 105.5077 34.27393 
1 1 1   13   32   11 o   44.244   16.851   18.843   25.802   17.373   26.835   36.835   93.897   44.090   17.083   73.020   30.602 -28.92975 35.04725 
1 1 1   13   32   12 o  119.440   16.385  188.399   47.584  208.598   53.914  117.216  101.213  125.223   17.737   92.487   33.730 32.73622 38.10934 
1 1 1   13   32   13 o  110.977   33.089  184.352   98.617   0.0000   0.0000  184.352   98.617  ?   ?   110.977   33.089 0.000000 33.08934 
1 1 1   13   32   14 o   33.490   14.400  -0.7131   21.719  -2.6898   22.413   29.711   87.930   33.296   14.471   70.426   29.569 -37.13012 32.92044 
1 1 1   13   32   15 o   88.648   17.796  105.789   38.026  128.093   41.574  -8.3950   94.066   97.809   17.672   65.486   29.011 32.32359 33.96952 
1 1 1   13   32   16 o  100.389   15.944  133.169   38.635  124.851   42.202  176.227   96.015   96.378   18.202  109.187   32.671 -12.80867 37.39964 
1 1 1   13   32   17 o  105.872   17.667  149.427   45.062  149.427   45.062   0.0000   0.0000  105.872   17.667  ?   ?  0.000000 17.66705 
1 1 1   13   32   18 o  147.926   15.589  285.241   56.718  310.648   65.886  212.525  111.463  153.632   17.485  118.592   35.137 35.03986 39.24731 
1 1 1   13   32   19 o  128.221   15.519  214.919   48.678  228.911   55.118  165.311  103.781  131.751   17.160  105.912   34.338 25.83917 38.38739 
1 1 1   13   32   20 o  165.751   14.963  356.443   61.266  356.617   72.070  355.988  116.336  164.520   17.827  156.798   30.810 7.722076 35.59624 
1 1 1   13   32   21 o  135.926   11.101  236.230   37.351  266.652   40.074   34.943  103.081  144.435   11.198   75.525   31.879 68.91079 33.78823 
1 1 1   13   32   22 o  201.595   11.270  518.366   56.507  509.122   62.688  558.432  130.512  199.234   12.666  200.043   26.800 -0.8093567 29.64201 
1 1 1   13   32   23 o  245.999   12.005  771.910   73.749  794.460   84.059  696.529  153.690  248.487   13.598  222.047   28.365 26.44014 31.45643 
1 1 1   13   32   24 o  142.479   11.062  259.714   39.051  261.157   41.765  249.684  110.118  142.631   11.833  128.098   33.897 14.53322 35.90319 
1 1 1   13   32   25 o  178.496   14.496  413.586   64.057  365.193   72.039  596.390  140.011  166.148   17.632  204.811   28.117 -38.66258 33.18848 
1 1 1   13   32   26 o  167.709   9.9335  358.140   41.416  345.091   47.474  399.711   84.734  164.012   11.667  172.311   20.068 -8.298752 23.21324 
1 1 1   13   32   27 o   35.395   11.886   15.131   12.401   11.940   12.640   96.976   64.022   33.149   11.946   82.939   26.975 -49.79016 29.50191 
1 1 1   13   32   28 o  112.536   15.525  167.740   42.466  164.534   46.771  182.794  101.335  110.601   17.518  108.340   33.791 2.260597 38.06213 
1 1 1   13   32   29 o  106.559   9.6995  145.475   25.528  153.574   29.053  118.049   53.464  109.184   10.797   90.860   23.416 18.32375 25.78582 
1 1 1   13   32   30 o   69.431   10.220   62.699   17.190   55.159   19.545   88.450   36.121   64.402   12.604   79.983   18.459 -15.58058 22.35223 
1 1 1   13   32   31 o   43.999   13.082   25.482   15.431   16.945   21.332   34.853   22.348   40.804   15.373   51.291   15.848 -10.48626 22.07926 
1 1 1   13   33    0 o   76.783   19.529   88.157   37.532  111.179   40.222 -66.9142  104.389   86.784   19.080   54.507   26.205 32.27683 32.41520 
1 1 1   13   33    1 f   48.336   17.943   28.526   28.849   28.526   28.849   0.0000   0.0000   48.336   17.943  ?   ?  0.000000 17.94311 
1 1 1   13   33    2 o   44.003   16.988   20.265   26.461   28.331   27.434 -87.4932  100.270   48.066   17.556   52.831   25.471 -4.765533 30.93506 
1 1 1   13   33    3 o  131.564   17.973  241.349   57.505  311.607   66.055   21.418  116.869  149.635   18.041   69.630   31.474 80.00545 36.27819 
1 1 1   13   33    4 o   72.042   19.369   74.511   35.599   93.066   38.161 -49.9415   98.832   80.618   19.226   57.355   26.966 23.26299 33.11810 
1 1 1   13   33    5 o   57.552   18.320   45.283   29.643   44.783   31.220   49.861   94.493   57.473   18.844   71.651   30.398 -14.17778 35.76484 
1 1 1   13   33    6 o   69.924   30.167   35.457   95.965   0.0000   0.0000   35.457   95.965  ?   ?    69.924   30.167 0.000000 30.16692 
1 1 1   13   33    7 o   82.135   18.485   94.209   36.998  105.253   39.876   25.861   99.196   86.716   18.944   69.496   30.321 17.22076 35.75243 
1 1 1   13   33    8 o  194.409   18.120  510.467   86.956  687.387  109.255  204.729  143.625  224.294   19.706  107.886   40.038 116.4074 44.62509 
1 1 1   13   33    9 o   47.626   17.503   25.503   27.328   37.068   28.549 -101.0655   94.443   53.679   18.034   52.126   25.025 1.553673 30.84627 
1 1 1   13   33   10 o   38.683   15.877   8.2167   24.556   8.2167   24.556   0.0000   0.0000   38.683   15.877  ?   ?  0.000000 15.87726 
1 1 1   13   33   11 o  164.371   17.601  361.191   71.121  500.794   87.102   81.923  123.194  193.327   18.258   85.428   35.364 107.8984 39.79893 
1 1 1   13   33   12 o   66.241   18.348   60.154   31.392   64.463   33.343   26.526   93.138   68.434   18.891   69.808   29.912 -1.373940 35.37786 
1 1 1   13   33   13 o  151.460   17.344  305.485   64.417  413.932   77.218   57.279  116.820  176.279   17.785   80.727   33.998 95.55145 38.36881 
1 1 1   13   33   14 o  113.100   34.608  200.709  106.870   0.0000   0.0000  200.709  106.870  ?   ?   113.100   34.608 0.000000 34.60782 
1 1 1   13   33   15 o   56.897   17.901   42.659   28.368   54.113   29.856 -63.7361   90.993   63.166   18.035   55.816   26.125 7.349277 31.74535 
1 1 1   13   33   16 o  158.600   16.570  331.975   64.658  407.075   77.138  154.549  118.566  175.019   17.901  101.320   36.575 73.69943 40.72078 
1 1 1   13   33   17 o   40.995   15.591   16.140   22.068   16.863   22.776   5.0507   89.216   41.721   15.846   65.429   28.645 -23.70784 32.73569 
1 1 1   13   33   18 o  103.120   17.405  142.816   43.224  142.816   43.224   0.0000   0.0000  103.120   17.405  ?   ?  0.000000 17.40505 
1 1 1   13   33   19 o   70.010   18.070   66.958   31.807   88.429   33.649 -113.1858   97.467   80.761   17.211   52.802   25.369 27.95896 30.65643 
1 1 1   13   33   20 o  106.345   15.282  149.441   39.417  142.722   42.828  186.662  100.800  103.140   17.237  110.178   33.591 -7.038574 37.75481 
1 1 1   13   33   21 o   44.738   15.649   23.630   21.553   21.155   22.167   66.452   92.212   43.627   15.804   78.288   31.259 -34.66088 35.02713 
1 1 1   13   33   22 o  184.634   16.763  449.761   76.447  541.138   93.888  270.002  131.685  201.227   18.906  128.588   38.213 72.63850 42.63423 
1 1 1   13   33   23 o   70.392   12.667   65.428   21.448   70.947   22.313  -1.6781   77.806   73.381   12.632   60.341   26.575 13.03997 29.42478 
1 1 1   13   33   24 o   61.853   12.497   50.787   18.638   54.441   19.242  -4.7475   75.010   64.097   12.470   58.716   25.964 5.381824 28.80359 
1 1 1   13   33   25 o   53.624   12.750   38.437   16.823   37.551   17.276   54.677   73.962   52.960   13.128   71.169   28.128 -18.20875 31.04058 
1 1 1   13   33   26 o  268.216   17.575  956.343  117.061  1016.74  151.057  865.535  185.217  271.458   22.486  239.660   31.728 31.79752 38.88826 
1 1 1   13   33   27 o  134.653   9.9234  232.146   33.133  246.111   37.311  180.065   72.054  138.320   10.890  110.515   26.460 27.80538 28.61316 
1 1 1   13   33   28 o  158.137   9.3516  319.163   36.765  291.494   42.914  395.504   71.281  150.255   11.525  172.158   16.794 -21.90228 20.36834 
1 1 1   13   33   29 o  138.874   10.889  248.629   37.460  255.637   39.782  193.793  111.276  140.606   11.429  107.810   35.588 32.79600 37.37776 
1 1 1   13   33   30 o   57.167   11.826   43.585   16.326   45.751   18.182   34.574   37.091   58.350   12.827   54.616   20.331 3.734692 24.03967 
1 1 1   13   33   31 o   72.316   19.077   73.679   34.948   0.0000   0.0000   73.679   34.948  ?   ?    72.316   19.077 0.000000 19.07691 
1 1 1   13   34    0 o   35.189   14.990   4.9826   23.147   6.5457   23.704 -27.0624  107.329   36.102   15.265   56.743   27.089 -20.64114 31.09433 
1 1 1   13   34    1 o   53.675   18.417   41.171   29.781   53.319   31.029 -100.7491  106.059   59.775   18.708   50.833   24.885 8.941502 31.13284 
1 1 1   13   34    2 o   73.927   18.795   81.594   34.774   80.229   36.698   93.592  108.810   72.769   19.709   74.810   32.199 -2.040573 37.75191 
1 1 1   13   34    3 o   67.858   19.112   68.352   33.765   77.339   35.255 -31.3327  117.411   72.092   19.229   60.864   28.849 11.22786 34.67012 
1 1 1   13   34    4 o   51.128   17.601   35.115   27.213   19.807   28.214  239.428  103.077   44.317   17.418  112.436   33.899 -68.11924 38.11165 
1 1 1   13   34    5 o   73.640   18.207   78.210   33.291   69.585   35.232  150.079  101.702   68.957   19.558   90.506   33.671 -21.54890 38.93941 
1 1 1   13   34    6 o  115.502   17.194  185.413   48.081  208.875   53.752   91.488  107.547  121.988   18.202   79.138   32.924 42.85015 37.62033 
1 1 1   13   34    7 o   49.073   23.831 -108.3785   91.861   0.0000   0.0000 -108.3785   91.861  ?   ?    49.073   23.831 0.000000 23.83054 
1 1 1   13   34    8 o   35.413   14.961   3.8326   22.735  -0.2362   23.427   69.671   94.238   34.370   14.866   75.009   30.980 -40.63974 34.36265 
1 1 1   13   34    9 o   91.683   18.806  118.308   41.611  118.308   41.611   0.0000   0.0000   91.683   18.806  ?   ?  0.000000 18.80569 
1 1 1   13   34   10 o  109.108   16.849  162.414   44.428  174.728   48.954  104.897  105.801  112.589   18.019   84.757   33.596 27.83213 38.12313 
1 1 1   13   34   11 o   44.615   16.743   21.346   25.254   21.346   25.254   0.0000   0.0000   44.615   16.743  ?   ?  0.000000 16.74313 
1 1 1   13   34   12 o   70.169   17.735   68.491   31.092   65.096   32.876   97.236   95.675   68.233   18.727   83.176   32.248 -14.94330 37.29157 
1 1 1   13   34   13 o   45.713   16.586   24.022   24.426   28.101   25.333 -29.9295   92.122   48.117   16.956   59.395   27.266 -11.27731 32.10809 
1 1 1   13   34   14 o   98.978   17.455  133.702   41.567  162.710   45.705  -5.0598   99.965  109.488   17.291   65.371   29.369 44.11668 34.08072 
1 1 1   13   34   15 o   75.136   30.855   59.019   92.800   0.0000   0.0000   59.019   92.800  ?   ?    75.136   30.855 0.000000 30.85521 
1 1 1   13   34   16 o   33.484   13.966   4.0914   19.424   1.7234   19.868   55.335   92.426   32.809   13.930   74.438   30.707 -41.62891 33.71896 
1 1 1   13   34   17 o   47.009   16.240   27.074   23.178   29.160   23.935  -4.3773   92.944   48.382   16.511   63.874   28.534 -15.49222 32.96648 
1 1 1   13   34   18 o  109.933   16.999  163.020   45.161  198.230   50.004   7.2187  105.186  121.445   16.950   69.011   30.620 52.43324 34.99890 
1 1 1   13   34   19 o   88.236   18.006  106.929   38.331  106.929   38.331   0.0000   0.0000   88.236   18.006  ?   ?  0.000000 18.00599 
1 1 1   13   34   20 o   56.130   16.283   42.541   24.160   37.386   24.917  123.502   98.751   53.209   16.781   91.059   33.301 -37.85019 37.29032 
1 1 1   13   34   21 o  191.474   14.877  481.583   70.574  542.928   93.442  400.122  107.679  200.424   18.893  165.554   26.975 34.86983 32.93300 
1 1 1   13   34   22 o   71.916   15.492   70.199   27.000   58.694   28.563  166.786   82.761   65.333   17.252  103.933   30.133 -38.59994 34.72248 
1 1 1   13   34   23 o   61.353   17.916   51.514   29.163   56.745   30.508  -3.9383   99.328   64.171   18.199   65.557   29.376 -1.385605 34.55649 
1 1 1   13   34   24 o  104.596   10.888  141.580   28.022  137.411   29.864  172.271   81.032  102.695   11.864  105.587   29.561 -2.892738 31.85277 
1 1 1   13   34   25 o   49.345   12.860   32.699   16.007   29.575   16.402   95.368   73.455   47.063   13.343   81.270   28.849 -34.20723 31.78487 
1 1 1   13   34   26 o  106.986   10.628  148.033   28.018  144.271   30.196  171.327   75.134  105.228   11.689  105.778   28.004 -0.5499268 30.34556 
1 1 1   13   34   27 o  237.843   11.715  729.973   69.580  738.589   80.090  703.457  140.500  237.613   13.554  218.925   26.222 18.68764 29.51746 
1 1 1   13   34   28 o   85.985   10.534   96.180   22.146   97.900   23.876   85.582   59.261   86.497   11.326   76.703   25.982 9.794281 28.34290 
1 1 1   13   34   29 o   48.070   13.101   31.141   16.156   41.166   17.272 -38.9889   45.684   55.217   12.779   38.985   18.331 16.23190 22.34557 
1 1 1   13   34   30 o   81.862   10.354   87.328   20.693   80.765   23.618  109.014   42.930   77.923   12.565   87.319   20.104 -9.395805 23.70749 
1 1 1   13   34   31 o   56.172   18.604   42.457   30.401   0.0000   0.0000   42.457   30.401  ?   ?    56.172   18.604 0.000000 18.60418 
1 1 1   13   35    0 f   66.153   30.653   75.831  120.390   0.0000   0.0000   75.831  120.390  ?   ?    66.153   30.653 0.000000 30.65341 
1 1 1   13   35    1 o   49.030   17.736   33.771   27.901   34.124   28.777   28.245  113.951   49.326   17.986   61.653   28.977 -12.32691 34.10533 
1 1 1   13   35    2 o   37.657   15.573   10.642   23.859   14.932   24.483 -70.3668  106.390   39.728   16.020   52.096   25.377 -12.36792 30.01068 
1 1 1   13   35    3 o   80.213   18.804   97.593   37.010   99.986   38.998   75.902  117.412   80.627   19.567   69.977   31.597 10.64977 37.16490 
1 1 1   13   35    4 o   55.316   18.458   44.441   29.904   44.441   29.904   0.0000   0.0000   55.316   18.458  ?   ?  0.000000 18.45768 
1 1 1   13   35    5 o   65.203   18.740   63.452   32.134   69.760   33.836   5.4486  102.604   68.137   19.111   61.211   28.340 6.925957 34.18222 
1 1 1   13   35    6 o   46.593   17.403   26.370   27.219   32.814   28.286 -54.2690  100.058   49.907   17.882   54.638   26.104 -4.731022 31.64132 
1 1 1   13   35    7 o   58.102   18.636   48.354   30.629   61.256   32.086 -84.1478  102.825   64.656   18.767   53.001   25.612 11.65485 31.75207 
1 1 1   13   35    9 o   53.608   17.820   39.259   27.883   46.066   29.091 -37.6274   97.774   57.267   18.140   57.341   26.916 -0.7472229E-01 32.45776 
1 1 1   13   35   10 o  132.427   16.561  241.343   53.568  263.058   60.641  164.204  114.294  137.089   18.161   93.950   35.540 43.13915 39.91161 
1 1 1   13   35   11 o  116.349   17.305  187.698   48.747  219.323   54.272   55.664  110.892  125.558   17.808   73.861   32.146 51.69637 36.74893 
1 1 1   13   35   12 o   69.823   18.586   69.565   32.981   69.565   32.981   0.0000   0.0000   69.823   18.586  ?   ?  0.000000 18.58642 
1 1 1   13   35   13 o   95.371   17.127  126.016   39.289  133.619   42.337   78.833  105.465   97.790   18.000   78.171   32.569 19.61925 37.21245 
1 1 1   13   35   14 o   60.648   17.711   51.284   28.499   58.113   29.873 -17.8609   95.062   64.306   17.929   60.687   27.799 3.618687 33.07960 
1 1 1   13   35   15 o  108.432   16.796  160.876   44.008  181.287   48.466   64.986  105.049  114.841   17.449   76.249   32.183 38.59188 36.60881 
1 1 1   13   35   16 o   55.955   17.595   42.555   27.412   47.330   28.549 -13.8357   98.112   58.621   17.877   62.409   28.456 -3.788559 33.60568 
1 1 1   13   35   17 o  109.975   17.107  165.483   45.453  183.878   50.175   81.313  107.331  115.531   17.976   80.026   33.058 35.50504 37.62950 
1 1 1   13   35   18 o   71.994   17.418   72.313   30.974   83.142   32.576 -29.7552  100.013   77.322   17.303   61.004   28.151 16.31825 33.04398 
1 1 1   13   35   19 o  133.361   15.240  237.801   49.841  259.895   58.264  177.529   96.233  138.247   17.252  103.236   33.024 35.01144 37.25906 
1 1 1   13   35   20 o   56.967   16.692   44.473   25.277   42.288   25.606  127.711  158.049   55.727   16.917   92.339   39.249 -36.61174 42.73969 
1 1 1   13   35   21 o  141.237   15.379  266.766   53.365  305.237   63.699  176.207   97.730  149.878   17.340  102.637   33.326 47.24123 37.56696 
1 1 1   13   35   22 o   92.906   14.613  116.008   32.783  100.091   35.577  205.548   84.382   84.982   17.351  114.001   29.437 -29.01883 34.17027 
1 1 1   13   35   23 o   61.393   16.291   52.132   25.389   54.979   26.732   25.906   81.128   62.939   16.723   64.515   27.785 -1.575741 32.42990 
1 1 1   13   35   24 o   52.122   17.171   35.882   25.911   32.354   26.726   91.148  105.780   50.437   17.438   81.526   33.149 -31.08968 37.45553 
1 1 1   13   35   25 o   49.662   12.803   33.357   15.979   29.807   16.384  102.448   72.278   47.055   13.334   81.921   28.657 -34.86652 31.60774 
1 1 1   13   35   26 o   53.849   12.580   39.215   16.611   36.923   17.119   76.067   68.646   52.149   13.149   73.640   27.610 -21.49061 30.58161 
1 1 1   13   35   27 o   92.247   10.693  111.029   24.176   97.215   25.950  201.806   66.522   85.566   12.515  116.777   23.623 -31.21082 26.73332 
1 1 1   13   35   28 o   78.467   10.993   80.954   20.949   70.506   22.377  155.070   59.598   72.487   12.832  101.652   23.883 -29.16518 27.11215 
1 1 1   13   35   29 o   91.781   10.885  110.250   24.461  122.983   27.455   61.235   53.865   96.710   11.600   66.837   24.571 29.87356 27.17187 
1 1 1   13   35   30 o   83.585   34.049  108.209  111.871   0.0000   0.0000  108.209  111.871  ?   ?    83.585   34.049 0.000000 34.04928 
1 1 1   13   36    0 o   29.940   13.573  -5.9292   21.917  -8.9501   22.305   78.717  118.067   29.323   13.445   62.629   29.455 -33.30585 32.37832 
1 1 1   13   36    1 o   29.875   13.679  -9.1100   22.981  -6.8612   23.471 -61.3038  113.075   30.836   14.005   51.241   25.208 -20.40416 28.83690 
1 1 1   13   36    2 o   64.936   19.496   68.318   34.148   77.229   35.729 -25.7465  116.086   68.863   19.751   55.201   26.802 13.66229 33.29364 
1 1 1   13   36    3 o   51.115   17.848   38.519   28.030   38.435   28.933   39.811  113.051   51.134   18.110   61.944   29.033 -10.81002 34.21844 
1 1 1   13   36    4 o  128.347   20.099  255.822   62.305  359.867   71.024 -91.6042  129.786  154.159   18.842   54.081   26.682 100.0772 32.66407 
1 1 1   13   36    5 o   52.632   18.321   40.281   29.523   40.281   29.523   0.0000   0.0000   52.632   18.321  ?   ?  0.000000 18.32077 
1 1 1   13   36    6 o   49.375   17.996   33.093   28.805   49.293   29.947 -167.2267  105.308   57.414   18.428   45.577   22.745 11.83709 29.27373 
1 1 1   13   36    7 o   33.192   14.354   1.5155   21.830   1.5155   21.830   0.0000   0.0000   33.192   14.354  ?   ?  0.000000 14.35398 
1 1 1   13   36    8 o   44.907   16.748   24.712   25.191   28.453   25.970 -34.8918  103.651   46.945   17.091   56.487   26.870 -9.542004 31.84524 
1 1 1   13   36    9 o   67.551   18.991   68.246   33.372   73.665   35.221   20.661  104.370   69.926   19.458   63.676   29.154 6.249462 35.05087 
1 1 1   13   36   10 o   55.201   18.083   43.270   28.752   53.315   29.973 -72.5305  101.768   60.448   18.292   53.326   25.697 7.122055 31.54243 
1 1 1   13   36   11 o   96.850   18.817  136.445   43.868  183.037   47.981 -100.9149  108.298  113.546   17.483   52.855   25.715 60.69092 31.09514 
1 1 1   13   36   12 o   89.290   17.252  113.412   37.075  114.537   39.468  104.970  108.131   89.050   18.358   79.420   33.025 9.629631 37.78444 
1 1 1   13   36   14 o   60.305   18.149   51.897   29.565   53.005   30.810   39.012  105.051   60.859   18.575   68.995   30.607 -8.135967 35.80265 
1 1 1   13   36   15 o  171.430   18.250  411.708   76.926  549.026   93.302  120.210  135.939  197.023   19.208   84.779   36.227 112.2439 41.00387 
1 1 1   13   36   16 o   49.872   16.756   33.019   24.646   39.617   25.749 -39.0619   85.104   53.668   17.073   53.895   25.238 -0.2267036 30.47063 
1 1 1   13   36   17 o   86.598   16.572  104.610   34.531   94.270   36.638  186.839  103.320   81.122   18.497  100.909   34.306 -19.78737 38.97441 
1 1 1   13   36   18 o   99.715   18.126  140.228   43.472  198.666   48.899 -80.0781   94.943  119.977   16.780   52.473   25.165 67.50369 30.24671 
1 1 1   13   36   19 o  102.457   15.585  143.592   38.619  145.064   42.627  136.851   91.225  101.967   17.363   89.478   32.108 12.48936 36.50190 
1 1 1   13   36   20 o  136.798   15.091  252.801   50.693  267.616   59.468  213.417   96.958  139.035   17.517  110.349   32.789 28.68643 37.17472 
1 1 1   13   36   21 o  141.351   16.170  272.606   56.051  339.618   67.688  126.389   99.984  156.747   17.597   86.698   33.135 70.04886 37.51712 
1 1 1   13   36   22 o  126.763   14.246  215.609   44.314  200.282   50.561  266.399   92.039  120.185   17.349  127.982   29.415 -7.796822 34.15010 
1 1 1   13   36   23 o  113.585   15.567  175.867   42.994  202.634   49.540   94.181   86.543  121.229   16.817   78.654   30.622 42.57471 34.93595 
1 1 1   13   36   24 o   65.766   12.829   58.523   20.313   59.401   21.022   46.168   78.836   66.140   13.191   66.660   27.994 -0.5197601 30.94595 
1 1 1   13   36   25 o   56.758   17.679   44.840   27.749   46.962   28.672   13.472  110.220   57.940   17.958   67.239   30.464 -9.299286 35.36308 
1 1 1   13   36   26 o   30.826   11.805   8.9621   12.706   9.8136   12.936 -14.3457   67.681   31.541   11.951   51.961   23.670 -20.42043 26.51553 
1 1 1   13   36   27 o   48.032   12.930   31.442   15.852   29.044   16.379   66.876   62.964   46.279   13.402   69.042   26.316 -22.76317 29.53238 
1 1 1   13   36   28 o   78.231   16.313   85.671   30.836   97.957   34.232   32.806   71.010   83.427   17.008   61.781   26.286 21.64592 31.30825 
1 1 1   13   36   29 o   83.581   24.899  109.360   55.858   0.0000   0.0000  109.360   55.858  ?   ?    83.581   24.899 0.000000 24.89927 
1 1 1   13   36   30 o  109.544   37.247  239.829  121.796   0.0000   0.0000  239.829  121.796  ?   ?   109.544   37.247 0.000000 37.24700 
1 1 1   13   37    0 o   82.856   20.381  121.185   41.879  117.966   44.169  149.839  131.777   79.891   21.615   63.980   30.395 15.91064 37.29692 
1 1 1   13   37    1 f   51.028   18.680   42.212   31.083   46.516   32.030 -27.3097  128.729   52.909   19.021   52.477   26.014 0.4325142 32.22625 
1 1 1   13   37    2 o  103.629   18.880  173.171   47.057  167.326   50.246  214.879  134.222   99.205   20.940   75.504   33.966 23.70174 39.90187 
1 1 1   13   37    3 o   61.272   29.173   60.958  122.736   0.0000   0.0000   60.958  122.736  ?   ?    61.272   29.173 0.000000 29.17274 
1 1 1   13   37    4 o   60.528   19.241   59.587   32.706   55.906   33.962  106.597  121.374   58.560   19.670   67.414   31.076 -8.853878 36.77747 
1 1 1   13   37    5 o   52.869   19.144   42.428   32.519   53.938   33.832 -97.3083  117.879   58.070   19.631   50.393   24.965 7.677422 31.75921 
1 1 1   13   37    7 o   63.558   29.511   47.670  112.412   0.0000   0.0000   47.670  112.412  ?   ?    63.558   29.511 0.000000 29.51053 
1 1 1   13   37    8 o   53.986   26.096 -46.1830  106.957   0.0000   0.0000 -46.1830  106.957  ?   ?    53.986   26.096 0.000000 26.09630 
1 1 1   13   37    9 o   76.831   19.380   91.359   37.179  104.200   39.434 -11.4038  111.551   82.106   19.519   58.595   27.874 23.51142 34.02863 
1 1 1   13   37   10 o   91.920   18.352  126.126   40.650  134.969   43.597   67.283  112.466   94.507   19.130   68.560   30.943 25.94646 36.37915 
1 1 1   13   37   11 o   78.208   18.524   91.850   35.621   98.871   37.697   33.322  108.842   80.885   18.988   64.469   29.610 16.41628 35.17574 
1 1 1   13   37   12 o   87.856   17.686  113.002   37.458  122.702   40.524   56.065   98.177   91.066   18.452   67.051   29.675 24.01517 34.94368 
1 1 1   13   37   13 o   39.845   15.278   17.212   21.299   12.122   21.871  110.727   93.745   37.698   15.163   77.615   31.331 -39.91718 34.80701 
1 1 1   13   37   14 o  125.225   16.439  221.085   50.164  244.569   56.973  140.072  105.817  130.391   17.975   83.898   33.490 46.49252 38.00893 
1 1 1   13   37   15 o  113.583   18.046  185.742   49.473  201.616   51.115 -49.5817  196.805  118.604   17.808   69.842   34.129 48.76189 38.49584 
1 1 1   13   37   16 o   73.256   17.947   78.405   32.572   91.805   34.714 -20.2619   94.193   79.419   17.928   57.150   26.694 22.26884 32.15591 
1 1 1   13   37   17 o   55.506   16.750   43.767   25.158   40.624   26.147   83.009   92.380   53.759   17.216   73.583   30.555 -19.82470 35.07130 
1 1 1   13   37   18 o  140.580   16.356  275.082   56.346  326.869   66.852  148.046  104.705  151.785   17.987   87.730   33.814 64.05491 38.30031 
1 1 1   13   37   19 o   64.645   17.745   60.540   29.516   74.430   31.236 -55.2276   90.181   71.760   17.572   52.525   25.008 19.23543 30.56367 
1 1 1   13   37   20 o  146.781   16.184  298.315   58.335  359.038   70.676  168.538  103.323  159.269   18.091   93.256   34.069 66.01340 38.57479 
1 1 1   13   37   21 o   70.270   17.549   71.236   30.701   88.236   32.705 -54.8947   89.084   78.582   17.148   52.391   24.919 26.19135 30.24895 
1 1 1   13   37   22 o   69.392   16.420   68.473   28.010   67.288   29.649   78.306   85.408   68.387   17.338   72.880   29.727 -4.493370 34.41332 
1 1 1   13   37   23 o  106.196   16.087  156.844   41.326  184.004   46.961   63.618   87.003  114.564   16.925   69.975   29.398 44.58866 33.92193 
1 1 1   13   37   24 o   49.473   15.918   33.405   22.334   35.110   23.302   14.141   78.327   50.585   16.258   59.074   26.306 -8.488941 30.92411 
1 1 1   13   37   25 o   73.089   11.962   71.787   21.078   68.372   21.944  112.468   75.736   70.916   12.865   81.480   29.254 -10.56342 31.95763 
1 1 1   13   37   26 o   73.286   18.138   77.940   33.015   81.124   34.302   37.870  121.677   74.607   18.502   70.425   31.947 4.182281 36.91834 
1 1 1   13   37   27 o   69.120   12.634   64.867   21.004   68.650   22.097   29.466   67.601   71.024   12.936   59.394   25.467 11.62991 28.56414 
1 1 1   13   37   28 o   67.501   25.606   66.577   59.431   0.0000   0.0000   66.577   59.431  ?   ?    67.501   25.606 0.000000 25.60584 
1 1 1   13   37   29 o   44.955   19.824   0.8594   43.426   0.0000   0.0000   0.8594   43.426  ?   ?    44.955   19.824 0.000000 19.82365 
1 1 1   13   38    0 o   45.715   17.730   35.127   28.926   34.756   29.023   90.080  353.069   45.560   17.734   52.770   27.327 -7.210011 32.57750 
1 1 1   13   38    1 o   70.153   20.777   94.030   38.977  113.969   40.920 -101.0917  128.010   78.127   20.659   45.467   22.998 32.65968 30.91432 
1 1 1   13   38    2 o   40.451   16.388   20.942   25.747   12.848   26.316  202.066  124.487   37.549   15.989   68.489   31.534 -30.94022 35.35646 
1 1 1   13   38    3 o   32.725   14.480   1.7324   23.362   0.9014   23.818   22.801  119.926   32.702   14.537   54.035   26.455 -21.33306 30.18589 
1 1 1   13   38    4 o   59.975   28.910   77.620  129.053   0.0000   0.0000   77.620  129.053  ?   ?    59.975   28.910 0.000000 28.91042 
1 1 1   13   38    5 o  168.307   22.134  489.594   90.770  489.594   90.770   0.0000   0.0000  168.307   22.134  ?   ?  0.000000 22.13360 
1 1 1   13   38    6 o   58.669   18.616   56.026   30.626   59.261   31.821   15.368  112.813   60.044   18.967   56.379   27.140 3.665398 33.11067 
1 1 1   13   38    7 o  137.716   19.873  303.465   66.367  400.713   76.863   18.533  131.567  158.316   19.880   59.135   28.671 99.18132 34.88940 
1 1 1   13   38    8 o   42.823   16.535   22.928   25.072   20.069   25.185  339.611  265.040   41.581   16.420   76.919   37.983 -35.33776 41.37999 
1 1 1   13   38    9 o   35.520   14.782   9.0624   21.688   7.5939   22.161   42.409  105.599   35.177   14.811   61.139   28.459 -25.96172 32.08203 
1 1 1   13   38   10 o   97.817   16.977  142.309   39.966  129.185   43.002  225.527  108.282   90.721   19.557   93.631   34.761 -2.909271 39.88534 
1 1 1   13   38   11 o  109.985   18.131  181.933   48.063  218.639   53.391   25.098  110.363  120.504   18.320   61.024   28.629 59.48030 33.98831 
1 1 1   13   38   12 o   47.951   23.520 -91.1758   96.142   0.0000   0.0000 -91.1758   96.142  ?   ?    47.951   23.520 0.000000 23.51956 
1 1 1   13   38   13 o   35.103   14.456   8.8572   20.440   14.730   20.917 -115.4913   96.251   38.063   14.985   46.415   22.914 -8.351860 27.37898 
1 1 1   13   38   14 o   73.743   18.494   82.625   33.995  102.619   36.168 -68.9353   99.577   82.812   18.003   51.209   24.855 31.60265 30.69001 
1 1 1   13   38   15 o  131.442   18.072  253.498   57.749  337.760   67.816   31.193  110.151  151.636   18.278   63.851   29.493 87.78466 34.69732 
1 1 1   13   38   16 o  134.169   16.994  258.806   55.661  249.985   58.205  353.171  190.375  130.457   18.376  101.143   43.036 29.31401 46.79484 
1 1 1   13   38   17 o   64.475   17.222   61.346   28.254   55.548   29.590  121.271   95.124   61.078   18.106   78.760   31.642 -17.68180 36.45596 
1 1 1   13   38   18 o   43.274   15.774   23.405   22.131   26.465   22.781 -27.9384   93.318   45.091   16.059   54.853   25.916 -9.762489 30.48857 
1 1 1   13   38   19 o   50.078   16.447   35.064   23.779   36.742   24.606   11.342   92.519   51.092   16.728   59.820   27.410 -8.727962 32.11191 
1 1 1   13   38   20 o   49.836   23.985 -64.9473   88.004   0.0000   0.0000 -64.9473   88.004  ?   ?    49.836   23.985 0.000000 23.98507 
1 1 1   13   38   21 o   44.831   15.801   26.120   21.999   30.958   22.728 -45.6748   87.555   47.701   16.091   51.853   24.675 -4.152496 29.45788 
1 1 1   13   38   22 o  133.691   15.993  250.432   52.333  293.337   62.179  146.214   96.909  143.022   17.794   85.939   32.674 57.08317 37.20532 
1 1 1   13   38   23 o  127.440   15.879  227.211   49.436  261.505   58.429  140.805   92.745  135.087   17.750   85.293   32.071 49.79404 36.65542 
1 1 1   13   38   24 o   97.741   15.955  134.612   37.598  142.463   41.998  102.929   84.371   99.467   17.550   76.687   30.126 22.77995 34.86546 
1 1 1   13   38   25 o  133.950   15.514  249.395   50.934  296.606   62.548  156.467   87.754  144.014   17.769   90.404   31.579 53.60966 36.23524 
1 1 1   13   38   26 o  118.478   11.338  186.330   33.135  202.845   36.357  105.353   80.507  123.250   11.964   77.447   29.701 45.80276 32.01974 
1 1 1   13   38   27 o   98.858   39.047  240.992  142.448   0.0000   0.0000  240.992  142.448  ?   ?    98.858   39.047 0.000000 39.04659 
1 1 1   13   38   28 o  124.252   24.715  247.315   73.987   0.0000   0.0000  247.315   73.987  ?   ?   124.252   24.715 0.000000 24.71505 
1 1 1   13   39    2 o   72.050   21.412  106.855   41.343  105.845   41.644  176.117  344.922   71.375   21.553   51.971   26.917 19.40443 34.48241 
1 1 1   13   39    3 o   86.036   20.833  139.970   44.282  149.331   46.823   60.660  136.292   87.898   21.508   52.400   26.107 35.49753 33.82501 
1 1 1   13   39    4 o   56.958   19.140   59.231   32.156   61.222   32.990   21.312  143.956   57.637   19.386   52.126   26.100 5.510986 32.51225 
1 1 1   13   39    5 o   46.339   23.340 -96.3606  124.060   0.0000   0.0000 -96.3606  124.060  ?   ?    46.339   23.340 0.000000 23.34006 
1 1 1   13   39    6 o  112.584   19.596  214.004   53.090  241.182   58.340   83.036  128.067  118.180   20.512   58.635   28.395 59.54470 35.02875 
1 1 1   13   39    7 o  122.163   18.577  241.986   54.885  260.970   60.711  157.083  128.394  124.355   20.247   67.027   31.260 57.32841 37.24403 
1 1 1   13   39    8 o   49.859   18.190   38.880   29.438   53.190   30.445 -166.7614  115.413   56.671   18.610   44.024   22.217 12.64703 28.98168 
1 1 1   13   39    9 o   62.637   19.311   65.619   33.204   70.148   33.481 -204.5071  258.574   64.811   19.270   56.642   29.007 8.169052 34.82429 
1 1 1   13   39   10 o  117.615   18.899  218.811   53.627  266.471   60.238   36.748  117.736  129.456   19.217   59.073   28.249 70.38275 34.16564 
1 1 1   13   39   11 o   50.866   17.494   39.241   26.881   41.528   27.778   5.5478  106.631   52.027   17.787   55.928   26.782 -3.900795 32.15040 
1 1 1   13   39   12 o  116.562   18.902  211.460   53.136  269.282   59.875  -2.8985  115.285  131.950   18.694   56.816   27.372 75.13412 33.14642 
1 1 1   13   39   13 f   55.158   26.850 -35.0904  118.513   0.0000   0.0000 -35.0904  118.513  ?   ?    55.158   26.850 0.000000 26.85012 
1 1 1   13   39   14 o   73.250   19.723   85.964   36.880  128.352   39.481 -204.3223  103.318   91.948   17.838   41.939   21.146 50.00959 27.66525 
1 1 1   13   39   15 o   58.722   17.724   52.731   28.167   52.264   29.306   58.387  102.036   58.309   18.170   64.000   29.119 -5.691048 34.32246 
1 1 1   13   39   16 o   93.321   17.159  129.300   38.513  127.890   41.342  138.560  105.945   91.412   18.740   77.388   32.473 14.02335 37.49245 
1 1 1   13   39   17 o   92.568   17.900  128.498   39.882  128.076   40.906  136.611  179.368   91.924   18.461   74.929   35.557 16.99498 40.06368 
1 1 1   13   39   18 o  144.208   16.796  301.730   59.350  353.826   70.711  177.535  109.179  153.627   18.826   85.888   34.101 67.73923 38.95268 
1 1 1   13   39   19 o  125.459   16.332  226.562   49.953  249.533   57.169  152.405  102.717  129.829   18.128   82.278   32.942 47.55155 37.60075 
1 1 1   13   39   20 o   54.913   17.267   44.429   26.399   53.169   27.544 -54.2607   92.554   59.652   17.409   50.874   24.513 8.778744 30.06609 
1 1 1   13   39   21 o   69.910   32.061   72.850  126.940   0.0000   0.0000   72.850  126.940  ?   ?    69.910   32.061 0.000000 32.06074 
1 1 1   13   39   22 o   44.216   16.025   25.252   22.795   26.048   23.569   13.736   89.652   44.833   16.288   58.458   26.858 -13.62447 31.41135 
1 1 1   13   39   23 o  148.038   16.168  311.803   58.798  371.229   72.549  198.050  100.374  158.513   18.687   94.937   33.720 63.57611 38.55226 
1 1 1   13   39   24 o   49.410   16.788   34.180   24.741   43.466   25.964 -57.5187   81.588   54.573   17.118   48.057   23.120 6.515560 28.76769 
1 1 1   13   39   25 o  119.345   15.183  200.280   44.224  199.096   51.160  203.779   87.964  116.283   18.216  101.066   31.476 15.21719 36.36768 
1 1 1   13   39   26 f   71.234   28.670   88.939   78.249   0.0000   0.0000   88.939   78.249  ?   ?    71.234   28.670 0.000000 28.67033 
1 1 1   13   39   27 o  123.365   27.904  268.508   83.950   0.0000   0.0000  268.508   83.950  ?   ?   123.365   27.904 0.000000 27.90387 
1 1 1   13   40    5 f   19.631   9.6769 -30.1320   16.949 -30.7641   17.110   3.1724  124.194   19.650   9.6936   47.587   23.886 -27.93609 25.77782 
1 1 1   13   40    6 o   53.755   19.060   54.138   32.057   63.175   32.952 -105.5233  138.507   57.669   19.375   45.153   22.953 12.51680 30.03690 
1 1 1   13   40    7 o   24.003   11.471 -18.8691   19.347 -10.9384   19.619 -298.7360  116.545   26.176   12.212   37.054   19.010 -10.87814 22.59451 
1 1 1   13   40    8 o   67.117   19.155   80.059   33.686   78.378   35.087   99.852  120.409   65.556   19.780   58.027   27.960 7.529182 34.24907 
1 1 1   13   40    9 o   48.826   17.614   38.766   27.491   35.600   28.038  117.583  139.892   47.338   17.666   60.233   29.287 -12.89550 34.20218 
1 1 1   13   40   10 o   56.188   18.416   53.434   29.818   51.006   30.052  207.510  239.403   54.923   18.503   62.866   31.758 -7.943748 36.75466 
1 1 1   13   40   11 o   16.067   8.0120 -31.4341   12.963 -31.7868   13.046  -4.0984  114.864   16.089   8.0257   52.871   25.886 -36.78185 27.10167 
1 1 1   13   40   12 o   66.691   18.901   74.330   32.918   78.423   34.367   28.852  114.552   68.154   19.312   56.290   27.160 11.86353 33.32600 
1 1 1   13   40   13 o   59.791   18.569   58.734   30.636   62.911   31.877   8.2020  110.873   61.591   18.910   54.970   26.571 6.621613 32.61331 
1 1 1   13   40   14 o   56.832   27.686   5.5426  126.716   0.0000   0.0000   5.5426  126.716  ?   ?    56.832   27.686 0.000000 27.68642 
1 1 1   13   40   15 o   70.787   18.871   81.171   33.965   96.244   35.748 -58.7611  108.921   77.514   18.686   50.511   24.828 27.00245 31.07391 
1 1 1   13   40   16 o   38.459   15.223   16.211   21.694   12.916   22.186   87.992  103.564   37.181   15.157   65.393   29.587 -28.21213 33.24356 
1 1 1   13   40   17 o  115.472   17.074  200.561   47.749  209.749   52.899  160.147  110.948  115.993   18.915   76.771   32.764 39.22227 37.83198 
1 1 1   13   40   18 o  159.900   18.978  395.536   74.301  429.953   81.345  222.256  182.526  164.727   20.198   76.971   36.329 87.75593 41.56635 
1 1 1   13   40   19 o  108.024   17.792  176.809   46.324  210.191   51.841   44.541  103.192  117.353   18.286   61.182   28.360 56.17138 33.74426 
1 1 1   13   40   20 o  105.269   16.840  164.600   42.776  171.903   47.280  131.658  100.415  105.877   18.559   74.890   31.529 30.98738 36.58596 
1 1 1   13   40   21 o   59.735   17.761   54.952   28.441   55.727   29.797   47.024   95.358   59.902   18.263   61.439   28.029 -1.536728 33.45396 
1 1 1   13   40   22 o   63.186   30.383   25.530  140.481   0.0000   0.0000   25.530  140.481  ?   ?    63.186   30.383 0.000000 30.38345 
1 1 1   13   40   23 o  135.016   16.939  268.419   55.855  327.354   67.173  136.369  100.549  146.814   18.750   76.753   31.875 70.06156 36.98088 
1 1 1   13   40   24 o   89.710   18.380  122.948   39.791  155.730   44.273 -14.7909   90.751  101.487   18.135   53.422   25.334 48.06491 31.15575 
1 1 1   13   40   25 o   59.376   26.784   37.830   84.126   0.0000   0.0000   37.830   84.126  ?   ?    59.376   26.784 0.000000 26.78355 
1 1 1   13   40   26 o   77.786   29.625  126.813   79.752   0.0000   0.0000  126.813   79.752  ?   ?    77.786   29.625 0.000000 29.62498 
1 1 1   13   41    9 o   63.198   19.757   77.178   34.618   80.673   35.939   32.235  128.870   64.129   20.144   49.951   24.964 14.17837 32.07721 
1 1 1   13   41   10 o   65.075   19.628   79.388   34.554   76.318   35.852  119.488  129.584   62.919   20.160   56.601   27.666 6.317749 34.23208 
1 1 1   13   41   11 f   52.398   18.210   48.202   29.162   50.551   30.020   8.8517  122.849   53.354   18.480   50.598   25.139 2.755978 31.20029 
1 1 1   13   41   12 o   42.540   16.655   26.145   25.712   28.152   25.890 -117.7383  219.234   43.459   16.796   51.519   26.406 -8.059750 31.29537 
1 1 1   13   41   13 o   92.247   18.899  143.539   42.071  144.120   44.910  139.374  120.245   90.387   20.383   63.053   29.676 27.33382 36.00223 
1 1 1   13   41   14 o   46.417   16.990   33.342   25.713   36.331   26.404 -21.5156  113.121   47.894   17.264   50.364   24.860 -2.470425 30.26652 
1 1 1   13   41   15 o   53.405   17.983   47.100   28.388   44.488   29.015  105.563  137.279   52.025   18.159   61.359   29.637 -9.334198 34.75821 
1 1 1   13   41   16 o   39.146   15.747   17.719   23.593   14.437   24.166   84.444  108.950   37.976   15.687   60.744   28.481 -22.76810 32.51488 
1 1 1   13   41   17 f   49.823   17.352   38.863   26.486   40.485   27.334   13.918  107.177   50.616   17.628   54.287   26.213 -3.670761 31.58903 
1 1 1   13   41   18 o   72.902   18.130   85.972   32.867   78.432   34.498  160.110  108.174   68.308   19.346   72.535   31.655 -4.227386 37.09830 
1 1 1   13   41   19 o   82.468   18.914  110.595   38.121  108.679   39.296  141.197  157.048   80.909   19.646   66.873   32.149 14.03587 37.67611 
1 1 1   13   41   20 o  137.404   16.666  286.199   56.016  297.223   65.020  254.456  110.330  135.442   19.809   91.621   34.856 43.82158 40.09214 
1 1 1   13   41   21 o   87.266   18.695  121.690   39.513  140.649   42.993   18.602  100.252   93.643   19.034   55.624   26.450 38.01877 32.58694 
1 1 1   13   41   22 o   67.184   18.834   73.519   32.869   87.604   34.921 -35.8802   97.324   73.478   18.919   50.240   24.428 23.23772 30.89694 
1 1 1   13   41   23 o   52.888   26.449 -101.3697  145.721   0.0000   0.0000 -101.3697  145.721  ?   ?    52.888   26.449 0.000000 26.44865 
1 1 1   13   41   24 f   74.161   30.965  141.047   95.627   0.0000   0.0000  141.047   95.627  ?   ?    74.161   30.965 0.000000 30.96547 
1 1 1   13   41   25 o   62.618   27.902   73.245   88.275   0.0000   0.0000   73.245   88.275  ?   ?    62.618   27.902 0.000000 27.90193 
1 1 1   13   42   15 o   17.167   8.5259 -30.4691   14.078 -30.2351   14.185 -45.6878  114.403   17.309   8.5898   46.423   23.248 -29.11455 24.78428 
1 1 1   13   42   16 o   40.721   16.114   23.094   24.304   21.878   24.854   49.659  116.199   40.307   16.181   53.223   26.053 -12.91528 30.66925 
1 1 1   13   42   17 o   47.359   23.605 -44.3995  111.941   0.0000   0.0000 -44.3995  111.941  ?   ?    47.359   23.605 0.000000 23.60514 
1 1 1   13   42   18 o   56.452   18.546   55.547   30.234   52.645   31.431   91.514  110.644   54.743   18.912   58.271   27.732 -3.528313 33.56632 
1 1 1   13   42   19 o  105.941   18.761  187.103   47.815  197.048   52.526  138.996  115.521  106.118   20.564   63.694   29.687 42.42413 36.11388 
1 1 1   13   42   20 o  123.571   19.094  254.482   57.021  311.002   66.082   89.727  112.823  134.608   20.289   59.279   28.151 75.32912 34.70010 
1 1 1   13   42   21 o   65.372   18.621   72.771   31.866   64.361   33.487  153.375  103.674   60.511   19.494   68.521   30.401 -8.009678 36.11435 
1 1 1   13   42   22 o   65.197   18.736   72.332   32.122   67.883   33.894  111.577  100.657   62.258   19.563   63.327   28.854 -1.069237 34.86100 
1 1 1   14  -28    0 o   52.130   22.863   15.189   57.058 -14.0900  127.144   22.573   63.849   62.560   29.759   55.461   24.258 7.098499 38.39389 
1 1 1   14  -28    1 o   37.535   18.195 -62.0899   52.920 -172.0461  119.424 -35.2237   59.032   48.879   24.366   43.544   20.585 5.334862 31.89716 
1 1 1   14  -27    0 o   54.532   23.179   23.618   55.124   21.392  121.142   24.200   61.904   67.657   31.135   56.506   24.304 11.15102 39.49760 
1 1 1   14  -27    1 o   63.584   25.031   56.707   58.358 -136.5873  120.952  115.359   66.626   52.734   25.967   81.864   27.550 -29.12999 37.85877 
1 1 1   14  -27    2 o   64.167   25.167   60.486   58.790  -0.5656  121.412   79.184   67.193   63.490   29.863   69.973   27.054 -6.482330 40.29569 
1 1 1   14  -27    3 o   44.907   20.706 -15.4840   53.946  137.926  119.808 -54.4956   60.417   80.493   34.192   41.649   20.001 38.84395 39.61262 
1 1 1   14  -26    0 o   47.294   17.697   25.829   28.172   9.9912   38.269   44.565   41.625   45.648   19.354   58.519   21.587 -12.87064 28.99273 
1 1 1   14  -26    1 o   36.600   17.704 -64.2296   49.437 -70.9589  111.303 -62.5757   55.179   57.156   27.368   39.521   19.014 17.63493 33.32440 
1 1 1   14  -26    2 o   61.584   24.357   48.590   55.498 -36.2631  113.456   75.280   63.631   60.356   28.534   70.411   26.546 -10.05466 38.97336 
1 1 1   14  -26    3 o   54.430   23.082   24.832   54.448 -18.1036  113.535   37.656   62.049   61.492   28.909   59.405   24.885 2.087280 38.14422 
1 1 1   14  -26    4 o   56.436   23.601   33.334   55.675   65.268  116.998   23.985   63.302   71.196   31.894   56.071   24.345 15.12472 40.12346 
1 1 1   14  -26    5 o   91.102   26.602  144.335   64.296  210.628  125.334  120.658   74.903   93.713   36.749   80.810   29.084 12.90372 46.86546 
1 1 1   14  -25    0 o   42.185   17.076   13.007   27.929   1.1258   39.082   25.406   39.927   44.072   19.132   51.886   20.616 -7.814579 28.12537 
1 1 1   14  -25    1 o   39.306   16.453   7.0062   27.091   1.1939   36.815   13.871   40.010   42.749   18.563   47.942   20.025 -5.193558 27.30544 
1 1 1   14  -25    2 o   34.586   15.296  -4.6766   26.043 -12.3412   33.881   6.3898   40.712   37.409   16.925   45.838   19.712 -8.429062 25.98087 
1 1 1   14  -25    3 o   68.001   24.943   66.613   55.461 -56.7537  110.456  108.200   64.131   58.624   27.844   82.107   27.013 -23.48289 38.79375 
1 1 1   14  -25    4 o   58.116   23.660   36.951   53.976   14.938  108.404   44.208   62.240   65.619   29.916   61.840   25.317 3.779140 39.19113 
1 1 1   14  -25    5 o   64.675   24.754   59.899   55.853   76.316  113.342   54.634   64.187   73.989   32.343   64.237   25.927 9.752693 41.45180 
1 1 1   14  -25    6 o   58.557   23.988   40.719   55.919 -169.3765  110.991  112.188   64.735   48.076   23.887   80.815   27.156 -32.73922 36.16711 
1 1 1   14  -25    7 o   60.198   24.389   48.137   57.028  132.844  113.676   19.649   65.923   80.706   33.735   55.385   24.424 25.32106 41.64848 
1 1 1   14  -24    0 o   94.475   15.349  119.393   34.969  146.088   51.779   97.008   47.415  102.098   21.010   82.479   22.429 19.61845 30.73207 
1 1 1   14  -24    1 o   55.014   18.219   39.631   29.154   47.111   41.745   32.508   40.735   60.886   21.733   55.063   21.124 5.823185 30.30805 
1 1 1   14  -24    2 o  132.477   12.162  228.862   39.784  140.574   56.736  314.263   55.801   97.916   23.502  153.984   14.690 -56.06821 27.71545 
1 1 1   14  -24    3 o   75.399   17.011   79.192   31.267   37.184   42.313  129.715   46.405   56.625   21.576   95.372   20.118 -38.74761 29.49958 
1 1 1   14  -24    4 o   73.056   16.689   74.690   29.780   52.823   39.391  103.861   45.497   61.824   21.182   83.947   21.583 -22.12326 30.24086 
1 1 1   14  -24    5 o   50.729   21.933   10.028   50.951   14.247  105.685   8.7503   58.155   66.182   29.921   52.985   23.164 13.19641 37.84000 
1 1 1   14  -24    6 o   50.727   21.922   11.786   50.852   28.241  103.295   6.5216   58.422   66.759   29.933   52.146   22.994 14.61268 37.74507 
1 1 1   14  -24    7 o   50.687   22.153   9.9346   53.158   36.502  110.237   1.8849   60.679   67.994   30.667   51.507   23.029 16.48725 38.35052 
1 1 1   14  -24    8 o   54.199   23.464   20.298   58.460  -0.4630  124.342   26.190   66.238   64.643   30.346   57.436   24.920 7.207359 39.26729 
1 1 1   14  -24    9 o   62.585   25.050   55.500   59.373  139.362  117.005   26.417   68.903   81.817   34.215   57.445   25.161 24.37261 42.47056 
1 1 1   14  -23    0 o  134.278   12.232  232.432   40.568  209.011   61.368  250.612   54.066  123.824   20.568  137.995   15.986 -14.17099 26.04992 
1 1 1   14  -23    1 f  152.698   15.050  305.524   56.640  251.317   77.436  367.896   83.064  133.587   24.099  164.453   20.684 -30.86615 31.75848 
1 1 1   14  -23    2 o  177.235   14.669  411.270   64.340  324.189   87.571  513.419   94.846  151.566   23.931  194.625   19.790 -43.05884 31.05424 
1 1 1   14  -23    3 o   88.495   15.433  105.347   32.864   99.613   46.386  111.127   46.569   83.513   21.953   88.473   21.328 -4.960533 30.60741 
1 1 1   14  -23    4 o   43.892   17.081   18.026   26.917   16.051   35.826   20.587   40.790   47.231   19.257   50.824   20.614 -3.593021 28.20950 
1 1 1   14  -23    5 o   58.721   17.746   47.543   28.225   8.7969   36.600  104.403   44.337   45.014   18.998   85.032   21.004 -40.01759 28.32072 
1 1 1   14  -23    6 o   75.402   16.303   79.034   29.802   57.382   38.581  111.069   46.928   63.811   20.950   86.880   21.696 -23.06844 30.15941 
1 1 1   14  -23    7 o   49.180   21.498   4.7096   50.079 -11.9204  101.354   10.081   57.601   61.842   28.467   53.136   23.146 8.705643 36.68922 
1 1 1   14  -23    8 o   44.777   20.523 -18.4100   51.916   16.857  105.879 -29.5727   59.568   65.679   29.797   46.022   21.406 19.65687 36.68935 
1 1 1   14  -23    9 o   74.277   26.390   88.764   61.481 -68.9392  113.079  154.947   73.255   56.788   27.295   94.693   28.583 -37.90489 39.52258 
1 1 1   14  -23   10 o   57.106   24.013   32.989   58.134   27.474  116.737   34.807   67.037   66.687   30.643   59.460   25.424 7.227776 39.81677 
1 1 1   14  -23   11 o   50.957   22.388   12.554   54.924 -97.3448  112.802   46.704   62.881   52.919   25.855   60.750   25.216 -7.831181 36.11538 
1 1 1   14  -22    0 o   42.532   17.027   12.558   27.438   41.153   43.571  -6.2331   35.320   60.369   22.114   40.965   17.977 19.40370 28.49882 
1 1 1   14  -22    1 o   81.705   16.221   89.246   31.929   76.346   48.519   99.099   42.404   75.001   23.380   85.026   20.259 -10.02518 30.93655 
1 1 1   14  -22    2 o   96.967   14.245  123.449   33.465  166.699   50.079   88.550   44.985  111.257   18.688   79.887   21.897 31.37015 28.78755 
1 1 1   14  -22    3 o  128.905   15.306  218.498   48.306  197.148   65.066  244.716   72.104  118.898   22.743  132.900   22.531 -14.00233 32.01399 
1 1 1   14  -22    4 o  112.205   16.401  168.153   44.598  175.697   58.859  157.983   68.340  112.133   21.805  103.920   26.309 8.212883 34.17051 
1 1 1   14  -22    5 o  129.207   12.243  216.804   39.031  203.415   55.201  230.191   55.195  122.093   18.701  130.755   17.331 -8.662453 25.49693 
1 1 1   14  -22    6 o   99.028   13.956  130.209   33.556  150.028   46.354  108.388   48.638  104.275   18.478   86.596   22.343 17.67870 28.99393 
1 1 1   14  -22    7 o   73.382   16.784   74.747   30.089   40.601   39.160  123.958   47.011   57.227   20.964   92.974   20.772 -35.74694 29.51208 
1 1 1   14  -22    8 o  116.723   12.528  179.738   35.946  159.085   47.972  206.179   54.280  106.354   18.748  121.555   18.463 -15.20137 26.31261 
1 1 1   14  -22    9 o  126.580   22.582  237.271   68.761  255.665  122.198  228.748   83.180  114.458   37.270  118.741   28.429 -4.283661 46.87477 
1 1 1   14  -22   10 o   88.940   26.195  128.233   62.104  171.675  112.499  109.191   74.482   93.887   35.318   81.010   29.018 12.87685 45.71012 
1 1 1   14  -22   11 o   49.022   21.996  -2.3520   55.886 -45.1318  109.888   12.573   64.906   58.287   27.709   54.864   24.212 3.423035 36.79711 
1 1 1   14  -22   12 o   39.469   18.799 -44.8944   51.067 -113.8774  106.549 -24.3225   58.186   50.793   24.882   45.564   21.181 5.229198 32.67635 
1 1 1   14  -22   13 o   44.043   20.565 -25.6543   55.824 -42.4928  113.860 -20.3260   64.050   57.609   27.610   47.806   22.223 9.803562 35.44234 
1 1 1   14  -21    0 o   48.694   17.844   25.246   28.376   30.361   45.833   22.067   36.134   57.609   22.325   50.737   19.777 6.871967 29.82505 
1 1 1   14  -21    1 o   77.708   16.674   80.623   31.388  117.173   48.295   53.894   41.300   92.731   21.304   65.137   21.689 27.59392 30.40173 
1 1 1   14  -21    2 o  123.276   12.155  195.057   36.931  183.808   55.489  204.003   49.482  117.130   19.668  124.807   16.263 -7.677177 25.52075 
1 1 1   14  -21    3 o   87.688   15.373  101.762   32.435  159.654   48.334   54.331   43.750  109.266   18.365   65.471   22.323 43.79502 28.90693 
1 1 1   14  -21    4 o  107.729   13.217  150.802   34.811  171.928   50.970  132.333   47.658  113.099   18.701   98.417   20.072 14.68180 27.43334 
1 1 1   14  -21    5 o   88.269   18.211  106.007   38.808  127.620   50.214   73.950   61.156   95.756   21.523   74.947   26.352 20.80915 34.02487 
1 1 1   14  -21    6 o  107.188   16.636  153.876   43.086  161.279   55.801  142.946   67.802  107.516   21.534   98.696   26.813 8.819603 34.39005 
1 1 1   14  -21    7 o  111.604   12.872  162.835   35.215  177.678   48.944  146.903   50.706  114.499   17.688  102.557   20.516 11.94225 27.08772 
1 1 1   14  -21    8 o   40.183   16.226   11.403   25.152   20.594   31.527  -4.6915   41.718   47.039   18.435   44.096   19.438 2.942993 26.78990 
1 1 1   14  -21    9 o  131.384   12.011  225.453   38.970  164.603   52.204  302.044   58.569  107.879   20.118  149.897   15.889 -42.01804 25.63599 
1 1 1   14  -21   10 o   51.423   17.562   34.570   27.079   47.276   32.870   7.7372   47.768   58.636   19.341   49.327   21.282 9.308609 28.75801 
1 1 1   14  -21   11 o   73.057   25.807   80.701   58.715  298.908  109.968  -6.3091   69.441  129.779   33.651   53.810   24.298 75.96817 41.50605 
1 1 1   14  -21   12 o   68.402   25.367   69.081   57.633   78.723  109.323   65.370   67.823   75.342   32.348   68.286   26.952 7.056625 42.10478 
1 1 1   14  -21   13 o   66.255   25.466   64.052   59.267  -8.4699  113.730   91.088   69.441   62.801   29.333   74.667   27.814 -11.86627 40.42351 
1 1 1   14  -21   14 o   73.196   26.431   88.760   61.926   51.850  115.668  103.590   73.319   69.307   31.322   77.094   28.608 -7.786293 42.41974 
1 1 1   14  -21   15 o   88.947   29.548  149.741   76.669   0.0000   0.0000  149.741   76.669  ?   ?    88.947   29.548 0.000000 29.54845 
1 1 1   14  -20    0 o  181.428   10.751  416.894   48.492  375.863   72.821  449.585   65.001  170.280   17.369  187.537   13.980 -17.25699 22.29606 
1 1 1   14  -20    1 o  129.416   19.228  220.962   60.251  282.601  106.874  192.244   72.949  141.478   31.098  118.334   25.443 23.14407 40.18010 
1 1 1   14  -20    2 f  149.290   11.734  284.007   43.393  282.344   65.974  285.276   57.608  146.741   18.409  148.436   15.784 -1.695374 24.24918 
1 1 1   14  -20    3 o  103.883   13.389  139.610   33.924  193.292   51.513   98.498   45.081  121.203   17.529   85.043   21.279 36.15928 27.56947 
1 1 1   14  -20    4 o  245.035   11.340  761.604   69.387  801.693  101.185  726.020   95.331  248.814   16.377  236.814   16.218 11.99945 23.04832 
1 1 1   14  -20    5 o   66.843   17.593   60.215   29.767   92.443   44.126   33.302   40.324   82.031   21.339   56.321   21.153 25.71002 30.04637 
1 1 1   14  -20    6 o  176.419   11.080  397.284   48.567  410.502   70.385  385.270   67.101  177.249   16.077  171.796   15.819 5.452652 22.55432 
1 1 1   14  -20    7 o   52.728   18.938   32.421   31.745   11.160   38.799   75.475   55.213   47.676   19.800   74.756   25.080 -27.08018 31.95355 
1 1 1   14  -20    8 o   65.789   19.681   59.139   34.845   77.816   42.296   19.681   61.477   74.648   21.513   58.964   24.739 15.68415 32.78434 
1 1 1   14  -20    9 o  157.327   11.403  319.128   44.496  333.960   62.387  303.770   63.482  158.621   15.967  150.515   17.198 8.106537 23.46772 
1 1 1   14  -20   10 o   85.460   15.394   98.833   31.644  134.715   41.199   47.207   49.418   99.232   17.252   62.362   23.418 36.87007 29.08665 
1 1 1   14  -20   11 o  121.439   12.407  193.579   37.095  156.075   48.204  248.042   58.090  105.550   18.986  134.441   17.736 -28.89134 25.98158 
1 1 1   14  -20   12 o   79.275   15.517   86.589   29.618   89.593   36.492   80.792   50.700   79.163   18.749   73.630   24.008 5.533394 30.46150 
1 1 1   14  -20   13 o   45.178   20.597 -16.1188   51.384  -2.2076   98.230 -21.3594   60.290   62.068   28.367   47.881   22.009 14.18669 35.90383 
1 1 1   14  -20   14 o   45.483   20.715 -13.6395   51.813 -38.2342   98.730  -4.2910   60.869   56.893   26.812   50.672   22.827 6.220757 35.21265 
1 1 1   14  -20   15 o   67.583   25.469   69.130   58.553   55.131  109.474   74.740   69.298   70.063   31.155   69.870   27.346 0.1923752 41.45422 
1 1 1   14  -20   16 o   56.484   24.990   19.427   69.578   0.0000   0.0000   19.427   69.578  ?   ?    56.484   24.990 0.000000 24.99037 
1 1 1   14  -19    0 o  296.796   12.019  1113.36   89.081  1049.66  128.935  1171.53  123.220  285.433   18.184  302.476   16.374 -17.04300 24.46962 
1 1 1   14  -19    1 o   87.637   14.387  100.054   30.392  119.458   48.162   87.214   39.177   94.266   20.998   80.660   19.635 13.60587 28.74757 
1 1 1   14  -19    2 o  118.592   12.274  179.865   35.824  163.879   54.886  191.730   47.284  110.822   20.591  121.529   15.967 -10.70672 26.05626 
1 1 1   14  -19    3 o  184.127   17.231  439.009   78.306  376.995  124.020  480.120  100.979  163.941   31.438  190.762   21.577 -26.82076 38.13006 
1 1 1   14  -19    4 o  132.076   18.971  229.977   60.774  350.041  104.243  168.157   74.801  159.715   27.106  109.805   27.375 49.91007 38.52421 
1 1 1   14  -19    5 o  159.489   11.152  323.534   44.137  329.769   65.391  318.316   59.819  159.258   16.690  156.877   15.471 2.380844 22.75785 
1 1 1   14  -19    6 o  169.080   11.102  363.820   46.614  344.177   68.167  381.073   63.886  162.360   17.068  171.732   15.049 -9.372238 22.75537 
1 1 1   14  -19    7 o  282.237   12.160  1014.57   85.701  1078.36  123.105  954.582  119.381  287.697   17.214  270.245   17.789 17.45163 24.75463 
1 1 1   14  -19    8 o  297.356   12.564  1130.50   93.296  1161.62  133.648  1100.92  130.295  297.242   18.091  289.321   18.126 7.921844 25.60943 
1 1 1   14  -19    9 o   75.567   19.166   78.555   36.222  103.006   44.311   29.309   62.885   86.097   20.835   62.183   25.452 23.91443 32.89214 
1 1 1   14  -19   10 o   93.535   17.299  118.595   38.918  128.048   47.575   99.474   67.663   95.920   20.484   83.388   27.762 12.53210 34.50090 
1 1 1   14  -19   11 o  129.049   12.287  216.533   39.117  240.850   53.265  188.065   57.633  134.278   16.213  116.147   20.626 18.13134 26.23552 
1 1 1   14  -19   12 o  125.074   12.055  204.031   37.185  193.398   49.045  218.408   57.029  119.347   16.931  125.882   18.711 -6.534653 25.23419 
1 1 1   14  -19   13 o   93.024   14.488  116.622   32.559  135.552   40.970   84.173   53.640   99.054   17.186   75.404   24.699 23.65021 30.09035 
1 1 1   14  -19   14 o   42.397   19.080 -10.5228   42.404   87.330   98.267 -32.9130   47.006   78.008   31.860   40.290   18.832 37.71777 37.00931 
1 1 1   14  -19   15 o   43.915   20.295 -24.5282   52.262   17.342  110.498 -36.5937   59.316   66.873   30.378   44.935   21.051 21.93764 36.95891 
1 1 1   14  -19   16 o   85.453   26.591  120.840   62.794  189.715  110.253   87.771   76.395   97.082   35.235   74.320   28.816 22.76246 45.51779 
1 1 1   14  -19   17 o   46.084   21.068 -12.9926   54.236   25.796  106.602 -26.5396   62.999   65.168   29.694   47.080   21.937 18.08786 36.91792 
1 1 1   14  -19   18 o   50.344   22.443   6.5861   57.176   96.737  111.149 -25.8535   66.675   74.459   32.294   47.872   22.393 26.58702 39.29795 
1 1 1   14  -18    0 o  229.744   10.773  664.984   61.807  743.198   91.328  598.891   83.954  241.353   15.231  216.431   15.639 24.92213 21.83034 
1 1 1   14  -18    1 o  201.064   10.660  510.766   53.334  489.241   79.353  528.501   72.029  195.193   16.433  203.605   14.257 -8.411987 21.75505 
1 1 1   14  -18    2 o   91.256   13.665  107.811   30.183   77.917   47.055  128.709   39.343   76.692   22.855   99.184   16.462 -22.49162 28.16595 
1 1 1   14  -18    3 o  251.142   11.257  796.187   70.596  869.750  103.534  732.264   96.511  260.594   15.987  238.923   16.273 21.67036 22.81207 
1 1 1   14  -18    4 o  323.304   12.556  1323.83  101.370  1289.55  145.800  1355.92  141.038  315.960   18.560  324.631   17.462 -8.671051 25.48351 
1 1 1   14  -18    5 o  207.352   16.634  554.377   85.405  594.948  133.006  525.913  111.406  210.344   25.867  199.201   22.807 11.14325 34.48516 
1 1 1   14  -18    6 o  142.018   18.603  264.722   64.387  252.769  104.814  271.966   81.598  133.079   31.945  141.864   23.882 -8.784958 39.88500 
1 1 1   14  -18    7 o  137.195   11.743  240.303   39.844  292.256   58.836  196.293   54.151  150.102   15.941  121.907   18.357 28.19515 24.31241 
1 1 1   14  -18    8 o  200.179   11.051  509.328   55.029  602.440   80.195  426.475   75.648  216.232   14.943  180.939   16.940 35.29298 22.58880 
1 1 1   14  -18    9 o  167.983   11.260  360.002   46.959  458.625   67.827  269.214   65.077  188.423   14.527  142.385   18.759 46.03784 23.72665 
1 1 1   14  -18   10 o  192.569   11.015  473.186   52.748  476.474   75.142  469.992   74.064  191.053   15.894  189.805   15.769 1.247772 22.38931 
1 1 1   14  -18   11 o   79.964   18.580   87.731   36.394  132.483   43.834 -11.5835   65.299   98.744   18.455   53.942   24.020 44.80222 30.29071 
1 1 1   14  -18   12 o  107.231   14.704  152.153   38.337  133.264   44.484  206.682   75.581   98.552   18.761  119.003   26.147 -20.45040 32.18147 
1 1 1   14  -18   13 o  118.320   12.449  182.740   36.232  170.306   47.386  200.240   56.218  111.868   17.539  120.470   19.342 -8.602654 26.10986 
1 1 1   14  -18   14 o  115.237   13.007  174.990   36.774  179.649   47.702  168.165   57.737  114.644   17.192  107.903   22.169 6.740707 28.05407 
1 1 1   14  -18   15 o   49.964   21.442   9.7114   47.995   0.0000   0.0000   9.7114   47.995  ?   ?    49.964   21.442 0.000000 21.44212 
1 1 1   14  -18   16 o   90.359   34.158  146.014  105.531  146.014  105.531   0.0000   0.0000   90.359   34.158  ?   ?  0.000000 34.15825 
1 1 1   14  -18   17 f   78.268   25.600   97.496   57.632  169.455  103.875   65.494   69.272   94.330   34.206   68.566   27.182 25.76397 43.69141 
1 1 1   14  -18   18 o   56.770   23.638   32.303   55.504   46.534  105.694   26.884   65.221   68.689   30.575   57.861   24.916 10.82743 39.44156 
1 1 1   14  -18   19 o   48.602   21.860  -1.1797   55.560 -53.2721  106.924   18.088   65.029   55.845   26.762   55.256   24.317 0.5895042 36.15958 
1 1 1   14  -18   20 o   73.699   26.582   94.703   62.608   72.263  114.300  104.321   74.833   70.000   31.429   75.533   28.714 -5.532936 42.57079 
1 1 1   14  -17    0 o  289.442   16.160  1068.82  116.336  1117.69  165.252  1020.80  163.804  292.989   22.765  279.454   23.696 13.53488 32.85947 
1 1 1   14  -17    1 o  184.120   10.387  427.982   47.563  416.644   70.737  437.338   64.257  180.339   15.869  185.310   13.989 -4.971191 21.15456 
1 1 1   14  -17    2 o  322.435   12.479  1313.56  100.480  1300.32  144.499  1325.96  139.816  318.191   18.262  321.700   17.470 -3.509521 25.27241 
1 1 1   14  -17    3 o  270.721   11.345  924.432   76.698  944.733  111.788  906.376  105.427  271.662   16.557  266.317   15.926 5.345520 22.97335 
1 1 1   14  -17    4 o  289.752   11.614  1059.93   84.033  1061.28  121.668  1058.70  116.203  287.662   17.013  287.648   16.244 0.1452637E-01 23.52221 
1 1 1   14  -17    5 o  217.869   10.670  598.472   58.050  593.776   85.025  602.573   79.449  215.183   15.936  217.190   14.736 -2.007233 21.70498 
1 1 1   14  -17    6 o  234.905   10.890  696.367   63.878  673.656   92.924  716.715   87.956  228.983   16.359  236.762   14.953 -7.779037 22.16316 
1 1 1   14  -17    7 o  190.924   16.564  470.343   78.188  509.442  123.627  444.279  100.939  194.323   26.139  183.035   22.561 11.28754 34.52949 
1 1 1   14  -17    8 o  132.270   18.973  230.614   60.875  260.792  101.335  213.574   76.146  135.802   30.613  124.795   25.300 11.00614 39.71484 
1 1 1   14  -17    9 o  147.435   11.235  276.814   41.054  272.950   58.734  280.505   57.408  144.775   16.543  147.016   15.890 -2.240723 22.93813 
1 1 1   14  -17   10 o  197.841   11.139  497.838   54.807  634.900   79.466  373.497   75.689  222.186   14.400  168.588   18.271 53.59769 23.26341 
1 1 1   14  -17   11 o  204.053   11.036  530.343   56.024  549.196   79.636  511.871   78.829  205.655   15.623  198.292   16.057 7.362610 22.40389 
1 1 1   14  -17   12 o  203.195   11.005  527.048   55.630  525.264   78.589  528.841   78.758  200.542   15.821  201.240   15.799 -0.6974640 22.35918 
1 1 1   14  -17   13 f  112.073   15.827  166.784   43.063  164.848   51.889  171.067   77.189  109.726   19.659  107.369   28.365 2.356323 34.51146 
1 1 1   14  -17   14 o   84.411   15.205   95.730   30.871  102.204   38.745   84.472   51.089   85.967   18.589   77.044   23.987 8.923744 30.34715 
1 1 1   14  -17   15 o   35.902   15.037   4.7433   22.649   10.192   25.795 -13.5956   47.323   40.024   16.332   44.798   20.159 -4.773979 25.94480 
1 1 1   14  -17   16 o   58.161   17.127   46.755   26.551   62.195   31.054   4.7876   51.198   66.449   18.185   50.271   21.860 16.17879 28.43554 
1 1 1   14  -17   17 o  104.978   13.580  147.432   34.766  151.265   42.540  139.724   60.330  104.563   16.866   95.122   25.051 9.440445 30.19965 
1 1 1   14  -17   18 o   64.187   24.402   55.748   54.048   39.866   98.986   62.494   64.515   68.381   30.049   67.631   26.409 0.7493515 40.00463 
1 1 1   14  -17   19 o   83.063   25.689  111.800   58.707  200.331  104.991   71.528   70.812  101.203   34.581   69.941   27.560 31.26204 44.22028 
1 1 1   14  -17   20 o   41.433   19.561 -38.0391   52.984   37.891  102.831 -65.4836   61.823   66.422   29.818   41.448   19.987 24.97407 35.89687 
1 1 1   14  -17   21 o   50.803   22.729   5.6773   59.217 -80.1105  107.558   42.991   70.936   53.074   25.777   61.139   26.148 -8.064709 36.71732 
1 1 1   14  -16    0 o  132.299   10.532  221.539   34.507  222.333   52.449  220.934   45.821  131.306   16.350  131.398   14.190 -0.9196472E-01 21.64867 
1 1 1   14  -16    1 o  384.130   19.205  1889.39  184.224  1975.56  261.129  1804.00  259.938  387.192   27.179  369.020   28.427 18.17249 39.32933 
1 1 1   14  -16    2 o  250.446   15.031  798.444   93.568  841.157  133.532  757.240  131.151  254.727   21.184  241.249   22.012 13.47792 30.55031 
1 1 1   14  -16    3 f  229.501   10.841  663.308   62.132  643.483   91.062  680.576   84.988  224.263   16.374  231.170   14.800 -6.907623 22.07109 
1 1 1   14  -16    4 o  276.516   11.325  963.968   78.203  997.139  113.322  933.806  108.058  279.345   16.316  270.391   16.076 8.954926 22.90518 
1 1 1   14  -16    5 o  174.835   10.543  386.357   45.816  404.513   68.178  371.407   61.867  177.680   15.521  170.434   14.679 7.245758 21.36360 
1 1 1   14  -16    6 o  132.628   11.191  223.408   36.719  243.910   55.747  207.697   48.801  137.298   16.596  126.780   15.754 10.51817 22.88290 
1 1 1   14  -16    7 o  181.452   10.534  416.360   47.524  490.439   70.197  353.675   64.573  195.940   14.448  165.840   15.783 30.10022 21.39732 
1 1 1   14  -16    8 o  270.190   11.351  922.145   76.585  943.134  110.512  902.750  106.231  271.095   16.402  265.335   16.109 5.759552 22.98937 
1 1 1   14  -16    9 o  170.193   16.628  374.573   69.765  482.231  111.440  305.188   89.465  190.036   24.019  150.340   24.687 39.69637 34.44411 
1 1 1   14  -16   10 o  340.179   18.541  1501.17  156.908  1692.41  229.622  1333.64  214.911  354.894   26.093  313.420   27.745 41.47446 38.08735 
1 1 1   14  -16   11 o  186.961   10.937  443.963   50.842  458.312   72.930  430.397   70.915  188.328   15.649  182.439   15.719 5.889221 22.18086 
1 1 1   14  -16   12 o  126.926   12.164  206.814   38.084  361.869   54.205   55.658   53.519  167.910   13.029   68.189   24.580 99.72088 27.81941 
1 1 1   14  -16   13 o  192.144   10.641  470.124   50.861  414.951   70.892  528.644   73.011  178.241   16.101  202.114   14.563 -23.87315 21.71018 
1 1 1   14  -16   14 o  127.579   18.557  218.755   57.387   0.0000   0.0000  218.755   57.387  ?   ?   127.579   18.557 0.000000 18.55695 
1 1 1   14  -16   15 o  182.333   19.384  449.437   86.904  449.437   86.904   0.0000   0.0000  182.333   19.384  ?   ?  0.000000 19.38359 
1 1 1   14  -16   16 o   87.316   14.536  101.985   30.581  122.159   38.017   65.000   51.474   94.840   16.660   69.302   24.187 25.53828 29.36972 
1 1 1   14  -16   17 o   69.077   15.788   65.658   26.639   45.878   31.261  118.108   50.906   58.175   18.845   89.820   22.689 -31.64458 29.49397 
1 1 1   14  -16   18 o   95.208   13.993  121.738   32.277  137.517   38.981   87.328   57.565  100.214   16.123   76.289   25.608 23.92546 30.26145 
1 1 1   14  -16   19 o   35.508   14.542   7.8523   20.545   12.915   22.315 -20.3070   52.631   38.836   15.418   45.067   20.659 -6.231022 25.77786 
1 1 1   14  -16   20 o  108.776   25.107  185.971   66.816  188.137  113.092  184.809   82.814   97.705   35.651  103.215   30.206 -5.510948 46.72700 
1 1 1   14  -16   21 o   38.594   18.481 -51.7731   50.765   17.062  100.641 -75.2639   58.792   63.689   28.955   39.236   19.056 24.45338 34.66265 
1 1 1   14  -16   22 o   56.176   23.667   31.711   56.643  131.807  105.645  -8.6743   67.104   81.830   33.180   50.962   23.349 30.86835 40.57186 
1 1 1   14  -16   23 o   59.720   24.831   46.428   61.125   9.1201  110.318   62.955   73.426   61.462   28.766   65.036   27.143 -3.574120 39.55050 
1 1 1   14  -15    0 f   49.834   15.942   30.859   22.426   14.771   35.124   41.931   29.139   48.006   19.248   57.631   18.144 -9.625183 26.45177 
1 1 1   14  -15    1 o  145.713   10.231  268.199   36.993  261.513   55.132  273.675   49.893  142.754   15.726  146.518   13.799 -3.763779 20.92201 
1 1 1   14  -15    2 f  236.785   10.713  705.417   63.346  734.306   92.559  679.965   86.879  240.108   15.520  231.128   15.136 8.979233 21.67890 
1 1 1   14  -15    3 o  259.849   11.059  850.131   71.763  885.081  104.886  819.369   98.401  263.479   16.017  253.606   15.614 9.873688 22.36823 
1 1 1   14  -15    4 o  479.683   22.935  2979.50  274.728  3031.06  389.118  2928.25  387.933  473.860   33.091  465.167   33.623 8.692810 47.17551 
1 1 1   14  -15    5 o   95.634   12.517  117.390   29.175  148.263   45.534   95.887   38.000  106.424   17.759   85.026   18.429 21.39792 25.59329 
1 1 1   14  -15    6 o  123.812   11.159  194.718   34.131  175.161   51.978  209.544   45.255  115.594   18.641  127.774   14.437 -12.17979 23.57748 
1 1 1   14  -15    7 o  179.300   10.468  406.193   46.666  373.488   68.676  434.248   63.607  170.448   16.335  184.599   13.900 -14.15144 21.44860 
1 1 1   14  -15    8 o   68.055   15.991   61.341   26.716   63.313   40.666   59.843   35.437   69.693   21.352   67.478   19.762 2.214607 29.09392 
1 1 1   14  -15    9 o  176.701   10.697  395.088   46.980  327.952   68.529  454.622   64.532  159.089   17.541  188.800   13.783 -29.71156 22.30828 
1 1 1   14  -15   10 o  112.630   12.118  162.292   33.546  201.256   48.864  127.559   46.136  124.535   16.089   97.779   19.578 26.75632 25.34036 
1 1 1   14  -15   11 o  188.329   16.380  457.739   76.268  544.554  118.359  396.094   99.736  202.029   23.925  171.976   23.867 30.05310 33.79422 
1 1 1   14  -15   12 o  127.084   13.620  207.917   42.551  207.228   52.521  209.233   72.588  125.782   17.169  123.694   24.367 2.087814 29.80810 
1 1 1   14  -15   13 f  210.335   11.264  562.452   58.948  565.642   85.196  559.523   81.646  208.833   16.471  207.984   15.839 0.8490753 22.85081 
1 1 1   14  -15   14 o  116.185   12.933  174.429   36.887  273.026   49.872   55.344   54.809  145.320   13.913   68.224   24.831 77.09557 28.46281 
1 1 1   14  -15   15 o  168.908   10.979  364.507   46.058  374.563   62.955  352.925   67.561  169.584   15.022  163.760   16.757 5.824554 22.50429 
1 1 1   14  -15   16 o  174.137   11.741  389.811   50.758  411.182   69.672  365.639   74.098  176.770   15.955  165.330   18.252 11.43976 24.24245 
1 1 1   14  -15   17 o  191.980   15.096  484.898   71.790  494.270   91.143  469.580  116.522  190.753   19.404  179.679   26.788 11.07463 33.07749 
1 1 1   14  -15   18 o   61.094   16.984   51.476   26.848   73.194   31.659  -4.1356   50.661   72.510   17.650   48.378   21.368 24.13152 27.71532 
1 1 1   14  -15   19 o   79.510   15.689   86.755   30.045   97.295   35.267   58.858   57.377   83.503   17.474   66.986   25.218 16.51676 30.68026 
1 1 1   14  -15   20 o  102.096   14.617  141.028   36.204  205.426   44.552   15.835   62.119  123.441   14.745   56.113   24.240 67.32757 28.37208 
1 1 1   14  -15   21 o  118.645   19.853  202.837   56.741  235.270  108.988  190.777   66.459  111.522   35.086  111.092   24.605 0.4298553 42.85390 
1 1 1   14  -15   22 o   55.989   23.482   28.314   55.355 -17.1494  101.204   47.721   66.122   59.827   27.852   63.223   26.014 -3.395489 38.11109 
1 1 1   14  -15   23 o   46.936   21.371 -10.0136   55.097   30.895  104.412 -25.8009   64.863   65.444   29.650   47.814   22.272 17.62988 37.08381 
1 1 1   14  -15   24 o   52.652   23.177   15.877   59.110 -21.4833  107.860   31.914   70.667   58.313   27.643   58.568   25.571 -0.2548141 37.65688 
1 1 1   14  -15   25 o   53.095   23.302   22.215   59.359   70.811  102.092  -2.6030   72.959   67.318   30.001   51.985   24.009 15.33320 38.42474 
1 1 1   14  -14    0 o  161.408   10.005  328.472   40.129  350.664   59.039  309.414   54.710  165.961   14.388  155.859   14.213 10.10260 20.22431 
1 1 1   14  -14    1 o  139.443   10.214  245.617   35.319  237.473   52.797  252.214   47.517  135.991   15.844  140.676   13.700 -4.684509 20.94589 
1 1 1   14  -14    2 o  178.292   9.9107  400.572   43.951  438.458   65.157  368.941   59.536  185.705   14.157  170.265   14.130 15.43922 20.00189 
1 1 1   14  -14    3 o  221.234   10.482  615.456   57.911  618.049   84.507  613.161   79.517  220.273   15.461  219.636   14.581 0.6371918 21.25198 
1 1 1   14  -14    4 o  416.711   14.480  2198.32  150.680  2222.04  214.639  2175.27  211.580  416.008   20.661  411.650   20.582 4.358154 29.16372 
1 1 1   14  -14    5 o  114.416   11.021  166.288   31.100  201.497   48.095  140.988   40.770  125.049   15.751  104.173   16.199 20.87703 22.59423 
1 1 1   14  -14    6 o  122.861   14.032  193.443   42.278  174.192   61.636  210.550   58.102  114.315   22.393  127.000   18.896 -12.68484 29.29999 
1 1 1   14  -14    7 o  522.405   17.576  3483.82  229.281  3440.22  325.218  3526.90  323.294  513.059   25.384  519.920   24.901 -6.861145 35.55809 
1 1 1   14  -14    8 o  191.442   10.265  462.530   48.896  514.565   72.154  418.343   66.490  200.931   14.477  180.972   14.844 19.95886 20.73441 
1 1 1   14  -14    9 o   92.815   13.129  111.081   29.580  132.347   43.803   93.254   40.106  100.224   18.171   83.566   19.564 16.65826 26.70085 
1 1 1   14  -14   10 o  264.409   11.321  882.133   74.751  877.318  107.557  886.631  103.963  261.654   16.546  263.306   15.886 -1.652283 22.93778 
1 1 1   14  -14   11 o  348.356   12.893  1537.15  112.156  1547.12  159.840  1527.47  157.413  346.401   18.545  344.286   18.376 2.115417 26.10737 
1 1 1   14  -14   12 o   94.683   13.303  115.895   30.586  120.893   42.834  110.695   43.688   95.340   18.659   90.858   19.814 4.482330 27.21675 
1 1 1   14  -14   13 o  109.942   25.712  166.906   69.330   0.0000   0.0000  166.906   69.330  ?   ?   109.942   25.712 0.000000 25.71154 
1 1 1   14  -14   14 o  177.660   15.548  407.801   68.284  407.801   68.284   0.0000   0.0000  177.660   15.548  ?   ?  0.000000 15.54809 
1 1 1   14  -14   15 o  228.109   11.244  660.411   64.051  673.281   90.102  647.263   91.068  227.968   15.927  223.230   16.453 4.737564 22.89924 
1 1 1   14  -14   16 o  199.903   11.339  510.108   56.371  597.266   78.995  419.669   80.468  214.742   14.822  178.090   18.357 36.65181 23.59377 
1 1 1   14  -14   17 o   37.040   15.178   7.1957   22.394   6.9724   26.079   7.8227   43.698   39.291   16.268   48.979   20.719 -9.688492 26.34282 
1 1 1   14  -14   18 o  201.232   11.753  521.203   58.805  589.268   81.580  447.588   84.841  211.697   15.541  182.146   18.929 29.55176 24.49108 
1 1 1   14  -14   19 o   45.216   16.783   22.399   25.236   29.148   26.423 -47.6831   85.148   48.983   17.311   54.707   25.495 -5.724289 30.81681 
1 1 1   14  -14   20 o  164.566   11.574  351.717   47.261  370.268   61.803  325.590   73.345  166.731   15.004  152.952   19.658 13.77922 24.72974 
1 1 1   14  -14   21 o  134.989   12.199  239.325   40.677  263.074   50.886  197.289   67.700  140.016   14.777  114.416   24.437 25.59921 28.55761 
1 1 1   14  -14   22 o  130.199   12.427  224.198   39.913  227.288   48.983  218.093   68.850  129.166   15.495  120.121   23.794 9.044891 28.39491 
1 1 1   14  -14   23 o   58.392   23.687   37.800   53.866  104.349   89.683   0.2449   67.372   79.402   31.100   53.772   24.137 25.62999 39.36802 
1 1 1   14  -14   24 o   65.815   25.089   63.629   57.230  123.240  101.282   35.669   69.365   81.810   32.727   60.501   25.866 21.30904 41.71427 
1 1 1   14  -14   25 o   47.418   21.276  -0.2243   52.292   13.345   96.198  -5.9157   62.300   60.732   27.873   49.705   22.668 11.02617 35.92699 
1 1 1   14  -14   26 o   95.704   26.090  160.972   64.065  197.561  110.410  142.400   78.662   91.158   34.824   84.668   29.875 6.489975 45.88272 
1 1 1   14  -13    0 o   87.444   18.620  100.875   39.414  130.887   66.820   84.862   48.810   98.751   26.531   80.284   23.102 18.46706 35.17948 
1 1 1   14  -13    1 o  248.702   10.715  777.383   66.549  762.469   95.744  791.323   92.565  244.895   15.739  249.730   14.911 -4.834732 21.68106 
1 1 1   14  -13    2 o  153.131   9.8525  295.659   37.476  325.043   55.634  271.251   50.706  159.814   14.084  145.884   14.094 13.93062 19.92525 
1 1 1   14  -13    3 o  249.511   10.691  782.723   66.612  808.980   96.179  758.517   92.344  252.298   15.339  244.309   15.212 7.988174 21.60245 
1 1 1   14  -13    4 o  109.349   11.051  151.935   29.763  136.529   45.364  163.579   39.438  102.000   18.491  112.873   14.313 -10.87299 23.38322 
1 1 1   14  -13    5 o  240.760   10.700  729.075   64.330  750.877   93.327  709.340   88.795  242.900   15.467  236.155   15.137 6.745605 21.64109 
1 1 1   14  -13    6 o   75.964   13.613   75.068   24.874  105.723   39.400   54.752   32.075   89.495   18.248   64.761   18.754 24.73414 26.16735 
1 1 1   14  -13    7 o  110.354   11.126  154.844   30.243  146.917   46.488  160.661   39.821  105.882   18.241  111.718   14.625 -5.836586 23.37947 
1 1 1   14  -13    8 o  148.064   13.575  279.489   49.632  334.266   71.641  228.936   68.824  160.825   18.156  131.699   21.682 29.12601 28.27993 
1 1 1   14  -13    9 o  207.245   12.419  544.152   63.974  556.069   81.556  525.091  103.146  208.596   15.773  200.947   20.859 7.649384 26.15143 
1 1 1   14  -13   10 o   72.612   15.047   69.344   26.387  115.796   39.668   32.473   35.341   93.781   17.584   54.906   19.946 38.87465 26.59018 
1 1 1   14  -13   11 o  183.794   10.527  426.838   48.115  453.527   70.285  403.300   66.006  188.328   15.071  177.540   15.029 10.78769 21.28427 
1 1 1   14  -13   12 o  136.811   11.097  237.606   37.585  207.441   55.260  263.572   51.270  126.013   18.079  143.338   14.524 -17.32491 23.19019 
1 1 1   14  -13   13 o  161.417   10.937  330.265   43.827  377.961   62.123  283.004   61.839  171.764   14.623  147.734   17.077 24.03104 22.48198 
1 1 1   14  -13   14 f  297.157   11.966  1117.93   88.791  1141.47  126.073  1094.76  125.073  297.732   17.028  291.436   17.263 6.296265 24.24747 
1 1 1   14  -13   15 o   75.749   23.801   76.115   50.171  145.965   87.164   41.507   61.354  101.901   31.267   66.325   25.794 35.57631 40.53327 
1 1 1   14  -13   16 o   68.274   16.223   62.392   27.250   55.898   34.167   73.742   45.173   64.917   19.504   74.046   22.467 -9.128479 29.75206 
1 1 1   14  -13   17 o  156.319   11.068  311.878   42.927  301.530   57.869  324.539   64.010  152.142   15.446  157.433   16.528 -5.290909 22.62218 
1 1 1   14  -13   18 o  161.631   11.561  334.931   46.356  424.216   63.552  233.415   67.766  180.857   14.185  130.503   21.546 50.35426 25.79662 
1 1 1   14  -13   19 o  165.007   11.140  349.460   45.635  349.935   61.034  348.858   68.724  163.273   15.142  161.856   17.270 1.417236 22.96786 
1 1 1   14  -13   20 o  153.815   15.521  313.760   58.803  319.391   68.544  298.065  114.436  153.550   18.232  135.965   33.839 17.58446 38.43797 
1 1 1   14  -13   21 o  119.932   13.027  189.249   38.388  218.476   47.299  132.840   65.710  127.882   15.103   93.194   26.802 34.68793 30.76388 
1 1 1   14  -13   22 o   69.765   15.915   67.469   27.114   75.505   31.070   41.795   55.531   73.363   17.249   61.253   24.320 12.10964 29.81655 
1 1 1   14  -13   23 o  177.204   11.727  410.906   51.598  447.501   66.599  355.957   81.608  182.593   14.732  156.921   21.383 25.67189 25.96599 
1 1 1   14  -13   24 o   73.065   15.814   74.806   28.017   95.136   32.104   9.8536   57.382   82.450   16.170   52.659   23.016 29.79121 28.12824 
1 1 1   14  -13   25 o  139.759   21.225  290.069   71.748  442.767  119.636  204.303   89.661  159.790   31.101  105.697   31.559 54.09321 44.30888 
1 1 1   14  -13   26 o  121.163   23.600  231.834   68.837  302.681  115.958  193.279   85.541  120.413   35.876  101.283   30.957 19.13059 47.38599 
1 1 1   14  -13   27 o   48.281   21.752   1.6855   55.283   73.910  101.753 -28.5618   65.849   68.966   30.382   46.728   21.983 22.23783 37.50081 
1 1 1   14  -12    0 o  120.668   10.251  184.093   30.598  193.728   45.580  176.190   41.283  122.934   15.169  117.310   14.394 5.623413 20.91175 
1 1 1   14  -12    1 o  212.729   10.030  568.076   53.283  579.690   77.067  557.442   73.748  213.790   14.522  209.709   14.166 4.081467 20.28653 
1 1 1   14  -12    2 o  226.953   15.152  654.049   85.380  633.391  125.210  672.002  116.726  220.930   23.034  228.444   20.686 -7.513824 30.95909 
1 1 1   14  -12    3 f  202.255   14.534  519.467   72.919  593.935  109.548  460.225   97.710  214.579   20.701  188.526   21.117 26.05342 29.57154 
1 1 1   14  -12    4 o  242.409   10.390  738.348   62.892  790.416   91.120  690.975   86.915  249.613   14.683  233.246   15.002 16.36708 20.99141 
1 1 1   14  -12    5 o  447.695   15.310  2538.04  171.158  2530.35  243.185  2545.60  240.940  443.756   21.945  445.248   21.670 -1.492371 30.84117 
1 1 1   14  -12    6 o  229.596   10.599  662.798   60.771  636.232   88.099  686.915   83.939  223.444   15.892  232.593   14.524 -9.149002 21.52962 
1 1 1   14  -12    7 o   80.112   12.874   82.956   24.882   55.882   39.314  101.050   32.139   66.396   21.094   88.123   15.151 -21.72686 25.97096 
1 1 1   14  -12    8 o  137.820   10.189  240.062   34.817  328.005   53.184  174.109   46.058  160.599   13.383  115.991   16.355 44.60782 21.13293 
1 1 1   14  -12    9 o  517.698   17.300  3414.40  223.656  3417.62  317.455  3411.23  315.153  512.583   24.801  512.238   24.638 0.3448486 34.95855 
1 1 1   14  -12   10 o  347.875   18.000  1549.24  155.836  1586.64  220.797  1512.12  219.977  347.738   25.607  339.064   26.183 8.674866 36.62331 
1 1 1   14  -12   11 o  183.111   13.744  426.709   62.387  536.507   88.786  319.627   87.681  204.292   17.575  155.433   23.309 48.85947 29.19186 
1 1 1   14  -12   12 o  308.841   16.959  1220.57  130.295   0.0000   0.0000  1220.57  130.295  ?   ?   308.841   16.959 0.000000 16.95926 
1 1 1   14  -12   13 o   98.909   18.394  129.193   43.760  129.193   43.760   0.0000   0.0000   98.909   18.394  ?   ?  0.000000 18.39386 
1 1 1   14  -12   14 o  130.134   11.005  215.120   35.427  190.028   50.060  240.297   50.144  120.765   17.076  136.660   14.937 -15.89559 22.68674 
1 1 1   14  -12   15 o  115.914   11.947  171.718   34.087  213.890   47.659  127.551   48.773  128.694   15.118   97.448   20.682 31.24577 25.61848 
1 1 1   14  -12   16 o  240.911   10.692  733.237   64.320  680.681   91.056  785.577   90.869  229.966   15.955  247.644   14.761 -17.67758 21.73566 
1 1 1   14  -12   17 o  207.232   16.876  557.415   86.576  543.632  130.140  568.358  115.957  199.064   26.866  206.056   22.924 -6.991959 35.31693 
1 1 1   14  -12   18 o  137.904   11.714  243.508   39.959  235.772   53.264  253.466   60.435  134.172   16.227  138.510   17.891 -4.338455 24.15355 
1 1 1   14  -12   19 f   60.132   16.236   48.611   24.950   53.117   29.977   38.451   45.013   62.814   18.113   59.449   22.345 3.365486 28.76424 
1 1 1   14  -12   20 o  168.460   11.411  364.303   47.718  400.907   63.932  318.262   71.702  175.191   14.751  153.678   19.096 21.51244 24.12942 
1 1 1   14  -12   21 o   79.862   14.414   85.367   27.688   81.123   33.054   95.346   50.690   76.725   17.623   81.415   23.576 -4.689766 29.43504 
1 1 1   14  -12   22 o   34.464   14.430   4.2640   20.849   4.1353   21.329   7.0278   98.833   34.745   14.574   66.232   29.517 -31.48633 32.91908 
1 1 1   14  -12   23 o   95.183   14.017  121.400   32.318  140.454   38.565   76.454   59.230  101.682   15.693   72.922   25.903 28.76016 30.28594 
1 1 1   14  -12   24 o   64.896   16.018   58.826   25.801   68.374   29.378   26.628   53.951   69.649   17.033   56.236   23.351 13.41312 28.90298 
1 1 1   14  -12   25 o   61.017   16.385   52.526   25.494   50.248   28.382   62.040   58.008   59.538   17.751   66.747   25.303 -7.208694 30.90860 
1 1 1   14  -12   26 o  144.168   18.813  297.402   66.116  363.994  120.485  268.709   79.087  139.561   34.715  130.783   25.129 8.777725 42.85549 
1 1 1   14  -12   27 o   78.221   25.660  101.952   57.887  132.002  103.247   88.175   69.909   82.514   33.031   72.982   27.751 9.532066 43.14070 
1 1 1   14  -12   28 o   93.232   26.445  152.097   64.412  164.585  113.015  146.089   78.390   85.376   34.423   86.949   29.877 -1.572914 45.58001 
1 1 1   14  -11    0 o  204.605   9.9239  525.152   50.705  523.200   73.397  526.935   70.129  203.173   14.563  204.045   13.845 -0.8722382 20.09412 
1 1 1   14  -11    1 o  271.498   10.969  925.825   74.364  962.842  106.485  890.586  103.896  275.633   15.534  264.994   15.772 10.63815 22.13716 
1 1 1   14  -11    2 o   95.637   11.255  116.497   26.366  124.910   39.843  109.943   35.168   97.973   16.896   91.982   15.885 5.990295 23.19030 
1 1 1   14  -11    3 o  228.269   10.267  654.236   58.522  656.767   84.266  651.877   81.338  227.539   14.913  226.798   14.437 0.7410583 20.75578 
1 1 1   14  -11    4 o  202.145   14.865  519.068   74.509  459.568  109.700  570.023  101.518  187.546   23.972  210.632   19.522 -23.08557 30.91555 
1 1 1   14  -11    5 o  356.412   18.377  1620.49  163.008  1730.31  234.376  1517.60  226.863  364.570   25.913  340.792   26.876 23.77878 37.33368 
1 1 1   14  -11    6 o  458.811   15.526  2665.52  177.885  2661.05  252.578  2669.91  250.568  455.114   22.224  455.997   22.005 -0.8830261 31.27482 
1 1 1   14  -11    7 o  401.808   14.335  2040.91  143.831  1911.31  204.372  2168.08  202.457  385.448   21.315  411.905   19.683 -26.45706 29.01305 
1 1 1   14  -11    8 o  276.413   11.379  961.680   78.541  989.940  112.999  935.267  109.244  278.821   16.300  271.014   16.216 7.806946 22.99289 
1 1 1   14  -11    9 o  364.184   13.248  1674.66  120.483  1612.98  171.818  1734.32  168.994  354.636   19.476  368.732   18.353 -14.09628 26.76110 
1 1 1   14  -11   10 o  117.270   11.133  174.631   32.211  237.781   48.768  125.762   42.901  136.309   14.552   97.808   18.236 38.50082 23.33018 
1 1 1   14  -11   11 o  335.790   14.247  1427.35  119.469  1225.82  205.265  1530.60  146.917  304.665   27.268  346.732   16.968 -42.06747 32.11658 
1 1 1   14  -11   12 o  379.362   19.150  1847.95  180.825  1782.57  254.930  1914.16  256.528  366.859   28.040  380.898   27.147 -14.03888 39.02820 
1 1 1   14  -11   13 o  327.953   14.571  1364.04  119.328  1344.04  147.880  1401.38  202.027  323.582   18.377  326.740   24.949 -3.157898 30.98635 
1 1 1   14  -11   14 o   80.890   14.118   85.267   27.481   93.272   38.778   77.191   38.951   83.673   18.993   76.077   20.174 7.595779 27.70802 
1 1 1   14  -11   15 o  201.771   10.708  514.551   53.762  589.353   77.112  443.801   74.995  214.947   14.450  185.823   16.327 29.12430 21.80325 
1 1 1   14  -11   16 o   69.709   15.758   64.395   26.787   60.883   35.555   69.006   40.737   67.901   19.769   72.163   21.204 -4.262833 28.99048 
1 1 1   14  -11   17 o  169.255   10.998  363.458   46.232  414.899   64.779  310.056   66.002  179.855   14.548  154.380   17.425 25.47501 22.69979 
1 1 1   14  -11   18 o   86.722   13.996   98.234   29.278  122.619   37.754   61.445   46.373   96.469   16.250   69.255   22.979 27.21470 28.14407 
1 1 1   14  -11   19 o  143.860   17.509  272.156   61.603  303.573   95.434  249.715   80.658  147.386   26.922  134.368   24.957 13.01770 36.70989 
1 1 1   14  -11   20 o   93.475   13.529  114.223   30.661  141.517   38.731   68.407   50.181  103.600   15.443   71.859   23.907 31.74097 28.46082 
1 1 1   14  -11   21 o  243.971   11.408  760.270   69.499  826.589   95.265  684.813  101.616  251.790   15.223  227.144   18.064 24.64577 23.62271 
1 1 1   14  -11   22 o   88.269   14.206  103.529   30.251  140.434   36.957   28.597   52.662  102.845   14.818   58.016   23.460 44.82851 27.74812 
1 1 1   14  -11   23 o   62.649   15.954   53.893   25.026   53.044   28.701   56.585   51.121   61.985   17.677   65.981   23.986 -3.996666 29.79604 
1 1 1   14  -11   24 o  124.415   15.383  208.124   46.774  180.748   50.527  372.161  123.682  114.168   18.344  149.158   33.966 -34.98997 38.60273 
1 1 1   14  -11   25 o  144.435   11.466  272.312   41.016  270.379   50.380  276.111   70.634  142.181   14.388  138.760   21.045 3.421066 25.49272 
1 1 1   14  -11   26 o   97.308   14.296  128.348   33.702  138.044   39.684  103.265   63.832   99.738   16.511   80.618   26.967 19.12062 31.61985 
1 1 1   14  -11   27 o   97.120   14.171  128.567   33.356  133.831   38.649  113.199   66.039   97.794   16.407   82.661   27.422 15.13307 31.95551 
1 1 1   14  -11   28 o   90.300   25.441  134.703   59.820  201.463  105.522  103.088   72.616   98.894   34.624   77.449   28.521 21.44576 44.85863 
1 1 1   14  -11   29 o   55.137   23.427   30.262   56.267  102.102  102.174  -1.0086   67.410   74.660   31.638   51.753   23.593 22.90675 39.46638 
1 1 1   14  -10    0 o  229.365   10.242  659.826   58.661  674.626   84.349  645.962   81.636  230.920   14.704  225.973   14.544 4.946701 20.68176 
1 1 1   14  -10    1 o  204.578   10.009  524.914   51.132  519.488   73.671  529.958   71.026  202.485   14.669  204.660   13.981 -2.175705 20.26466 
1 1 1   14  -10    2 o  365.134   12.929  1677.70  117.888  1706.68  167.700  1649.39  165.755  366.844   18.306  360.129   18.494 6.714478 26.02193 
1 1 1   14  -10    3 o  143.756   9.7851  260.425   34.918  273.753   51.630  249.191   47.403  146.667   14.278  139.973   13.739 6.694489 19.81431 
1 1 1   14  -10    4 o  154.392   9.8387  300.288   37.735  280.521   55.041  317.819   51.835  148.295   15.072  158.300   13.234 -10.00497 20.05784 
1 1 1   14  -10    5 o  106.632   10.593  144.195   27.833  159.906   41.991  131.884   37.171  111.433   15.511  101.078   15.197 10.35462 21.71474 
1 1 1   14  -10    6 o  227.542   10.279  650.210   58.408  673.830   85.080  629.157   80.327  230.453   14.863  222.733   14.521 7.720413 20.77951 
1 1 1   14  -10    7 o  204.749   15.198  533.104   77.153  455.442  113.958  598.828  104.833  186.171   25.156  215.802   19.669 -29.63142 31.93315 
1 1 1   14  -10    8 o   63.740   14.689   53.391   22.900   56.394   36.338   51.412   29.494   66.208   20.165   62.796   17.924 3.411736 26.97900 
1 1 1   14  -10    9 o  302.553   11.938  1152.83   90.193  1118.33  129.262  1185.57  125.909  296.025   17.565  305.176   16.584 -9.150879 24.15669 
1 1 1   14  -10   10 o  317.098   12.316  1267.39   97.524  1251.43  139.439  1282.67  136.451  312.979   17.915  317.114   17.296 -4.135315 24.90222 
1 1 1   14  -10   11 o   97.503   16.079  123.691   37.785   0.0000   0.0000  123.691   37.785  ?   ?    97.503   16.079 0.000000 16.07905 
1 1 1   14  -10   12 o  281.528   16.216  1010.05  113.520  1010.05  113.520   0.0000   0.0000  281.528   16.216  ?   ?  0.000000 16.21589 
1 1 1   14  -10   13 o  148.371   10.363  278.218   38.156  233.597   55.829  317.329   52.268  134.443   17.010  157.904   13.381 -23.46042 21.64216 
1 1 1   14  -10   14 o   53.450   18.012   34.311   28.480   47.764   38.689   18.398   42.078   62.551   20.994   52.555   21.069 9.996349 29.74347 
1 1 1   14  -10   15 o  159.747   10.509  322.648   41.688  284.222   59.390  359.972   58.532  148.560   16.275  167.974   14.084 -19.41388 21.52314 
1 1 1   14  -10   16 o  250.080   11.071  788.561   69.141  801.191   98.304  776.196   97.264  250.345   15.806  246.361   15.895 3.983612 22.41572 
1 1 1   14  -10   17 o  188.565   10.341  449.393   48.506  388.778   67.900  512.568   69.319  173.908   15.808  200.467   13.934 -26.55861 21.07195 
1 1 1   14  -10   18 o  240.950   10.751  732.961   64.688  739.347   91.114  726.471   91.857  240.207   15.269  237.989   15.542 2.218018 21.78725 
1 1 1   14  -10   19 o  159.497   10.877  323.165   43.062  353.057   58.870  288.765   63.153  165.719   14.368  148.757   17.325 16.96272 22.50783 
1 1 1   14  -10   20 o  114.680   16.502  172.929   45.896  138.302   88.573  185.639   53.662   98.765   31.692  118.047   18.837 -19.28284 36.86747 
1 1 1   14  -10   21 o   74.230   15.919   73.869   28.624   80.422   32.850   53.204   58.339   77.122   17.463   68.188   25.476 8.933800 30.88634 
1 1 1   14  -10   22 o   78.939   14.955   83.171   28.401  103.629   34.306   38.604   50.634   87.910   16.225   60.975   23.511 26.93433 28.56579 
1 1 1   14  -10   23 o  160.674   11.583  332.593   46.162  409.422   60.829  228.264   70.885  177.215   13.856  127.095   23.189 50.12013 27.01296 
1 1 1   14  -10   24 o  150.386   11.317  292.299   42.187  286.737   53.762  301.212   68.056  147.184   14.829  148.454   18.778 -1.270752 23.92729 
1 1 1   14  -10   25 o   38.443   15.181   12.400   21.527   13.460   21.943 -14.7814  111.096   39.173   15.372   65.593   30.049 -26.42014 33.75227 
1 1 1   14  -10   26 o  173.107   11.681  390.776   50.201  404.327   63.208  367.626   82.615  173.990   14.685  160.503   21.126 13.48682 25.72820 
1 1 1   14  -10   27 o  152.735   11.960  306.436   45.252  313.526   55.544  292.441   78.040  152.572   14.763  140.414   23.057 12.15771 27.37821 
1 1 1   14  -10   28 o  223.878   12.541  663.449   69.828  706.814   90.348  599.116  110.044  227.088   16.035  200.973   22.303 26.11530 27.46909 
1 1 1   14  -10   29 o   66.878   24.588   67.979   53.941  112.211   99.034   49.322   64.318   79.286   32.133   62.613   25.697 16.67269 41.14472 
1 1 1   14  -10   30 o  126.215   23.513  253.590   71.381  385.740  122.332  185.369   87.895  137.256   35.444   96.813   31.613 40.44354 47.49392 
1 1 1   14   -9    0 o  531.767   17.083  3570.20  226.855  3774.02  321.717  3368.63  319.934  543.969   23.684  513.327   24.958 30.64221 34.40691 
1 1 1   14   -9    1 o  156.937   9.8036  309.895   38.228  306.012   55.505  313.399   52.728  155.242   14.485  157.281   13.557 -2.039383 19.83974 
1 1 1   14   -9    2 o   77.258   12.838   77.011   23.899   39.675   35.517  107.904   32.307   58.460   20.109   91.439   14.643 -32.97881 24.87541 
1 1 1   14   -9    3 o  136.795   9.9166  235.884   33.645  245.616   49.268  227.380   46.057  138.889   14.415  133.654   14.008 5.234848 20.10010 
1 1 1   14   -9    4 o  215.305   10.053  581.531   54.052  611.980   78.025  553.435   74.949  219.893   14.287  209.033   14.447 10.85980 20.31795 
1 1 1   14   -9    5 f  211.080   9.9321  558.997   52.352  595.515   75.627  525.394   72.545  216.906   14.037  203.614   14.360 13.29211 20.08092 
1 1 1   14   -9    6 o  211.842   10.009  563.207   52.946  583.727   76.612  544.445   73.256  214.620   14.378  207.270   14.240 7.349899 20.23581 
1 1 1   14   -9    7 f  251.889   10.507  796.862   66.089  839.848   95.301  757.041   91.727  257.422   14.889  244.304   15.110 13.11838 21.21274 
1 1 1   14   -9    8 o  208.389   10.202  545.332   53.089  525.304   76.820  563.641   73.451  203.262   15.246  210.872   14.029 -7.609344 20.71789 
1 1 1   14   -9    9 o   92.195   18.700  111.981   41.580  155.670   69.360   87.472   51.949  107.520   26.096   81.567   23.939 25.95279 35.41318 
1 1 1   14   -9   10 o  362.323   26.994  1717.97  242.488   0.0000   0.0000  1717.97  242.488  ?   ?   362.323   26.994 0.000000 26.99414 
1 1 1   14   -9   11 o  102.522   17.821  137.417   43.968  137.417   43.968   0.0000   0.0000  102.522   17.821  ?   ?  0.000000 17.82060 
1 1 1   14   -9   12 o  143.092   10.409  258.726   36.940  239.521   54.856  274.661   49.968  136.418   16.434  146.817   13.791 -10.39880 21.45341 
1 1 1   14   -9   13 o  175.613   10.053  388.831   43.904  375.697   64.039  400.479   60.308  171.565   15.101  177.503   13.712 -5.938446 20.39773 
1 1 1   14   -9   14 o   55.957   15.900   40.779   23.264   8.4313   34.175   68.712   31.758   45.248   18.670   72.023   17.767 -26.77579 25.77271 
1 1 1   14   -9   15 o  129.577   10.772  212.770   34.540  175.869   49.833  246.888   47.917  116.165   17.742  138.992   13.996 -22.82684 22.59767 
1 1 1   14   -9   16 o  196.600   13.743  491.607   67.045  436.961   92.057  553.333   97.839  183.231   20.469  206.920   19.152 -23.68954 28.03159 
1 1 1   14   -9   17 o  259.769   11.217  850.845   72.762  727.937  102.919  973.668  102.883  238.049   17.434  276.458   14.958 -38.40955 22.97194 
1 1 1   14   -9   18 o  271.991   11.183  933.478   75.957  861.301  107.424  1005.64  107.415  259.106   16.691  280.604   15.388 -21.49756 22.70212 
1 1 1   14   -9   19 f  126.634   10.862  203.876   34.018  195.120   45.782  214.670   50.829  122.797   15.259  128.618   16.184 -5.820770 22.24298 
1 1 1   14   -9   20 o  227.112   10.787  651.990   61.176  652.509   85.306  651.440   87.780  225.356   15.248  224.971   15.724 0.3847809 21.90319 
1 1 1   14   -9   21 o  151.343   10.884  291.598   40.861  295.266   54.929  287.054   61.139  151.104   14.745  148.211   16.817 2.893356 22.36576 
1 1 1   14   -9   22 o  130.934   18.221  227.875   57.962  250.393   92.069  213.090   74.601  131.965   28.752  123.391   25.066 8.574402 38.14397 
1 1 1   14   -9   23 o  246.809   11.023  776.153   67.938  754.407   91.530  802.832  101.380  240.669   15.309  247.484   16.499 -6.814987 22.50737 
1 1 1   14   -9   24 o  127.545   11.721  210.226   36.914  203.306   46.263  222.352   61.239  123.984   15.265  127.398   19.900 -3.414597 25.08039 
1 1 1   14   -9   25 o   54.431   15.824   40.064   22.794   36.895   25.657   51.935   49.658   52.916   17.065   64.250   23.597 -11.33367 29.12073 
1 1 1   14   -9   26 o  245.075   11.463  775.609   70.151  830.446   94.041  706.811  105.335  250.169   15.124  227.198   18.733 22.97112 24.07631 
1 1 1   14   -9   27 o  164.460   16.870  368.345   68.301  385.160   76.036  298.082  155.430  166.775   18.573  119.940   42.020 46.83529 45.94194 
1 1 1   14   -9   28 o   96.019   14.084  124.463   32.767  121.944   38.128  131.577   64.081   93.527   16.950   91.011   26.552 2.515511 31.50102 
1 1 1   14   -9   29 o  113.153   13.671  172.512   37.845  194.547   44.770  117.342   70.839  119.113   15.413   83.905   28.407 35.20834 32.31875 
1 1 1   14   -9   30 o  122.840   13.234  203.643   39.956  224.365   47.027  149.857   75.765  127.655   15.041   91.878   29.293 35.77762 32.92896 
1 1 1   14   -9   31 o   49.542   22.054   6.0411   55.006 -95.6826  104.178   45.363   64.771   50.987   24.897   60.639   25.415 -9.652218 35.57803 
1 1 1   14   -8    0 o  479.918   22.577  2925.55  270.567  3151.52  382.692  2699.72  382.587  493.411   31.220  455.082   33.909 38.32883 46.09265 
1 1 1   14   -8    1 o  197.811   13.874  494.278   68.101  567.868   95.781  419.042   96.846  211.232   18.340  180.395   21.951 30.83696 28.60432 
1 1 1   14   -8    2 o   73.906   13.084   70.649   23.264   71.944   34.879   69.612   31.224   74.008   18.828   72.816   17.408 1.191986 25.64186 
1 1 1   14   -8    3 o  318.511   11.809  1273.71   93.930  1295.15  133.780  1252.88  131.914  319.849   16.808  314.561   16.855 5.288330 23.80314 
1 1 1   14   -8    4 o  246.468   10.393  761.932   63.969  786.184   91.697  738.941   89.282  249.355   14.792  241.706   14.864 7.649139 20.97022 
1 1 1   14   -8    5 o  286.619   11.189  1031.46   80.083  1051.00  114.489  1012.74  112.059  288.062   15.978  282.766   15.935 5.296387 22.56595 
1 1 1   14   -8    6 o  417.673   14.354  2199.34  149.708  2165.16  212.364  2233.11  211.079  411.786   20.718  418.904   20.178 -7.117249 28.92050 
1 1 1   14   -8    7 o  354.540   12.632  1581.88  111.840  1620.18  159.319  1544.67  157.039  357.411   17.850  348.459   18.109 8.952393 25.42807 
1 1 1   14   -8    8 f  163.581   9.6063  336.845   39.069  370.131   57.684  308.636   53.103  170.825   13.636  155.866   13.785 14.95915 19.39015 
1 1 1   14   -8    9 o  156.509   9.9401  308.690   38.648  278.427   57.089  334.292   52.510  147.546   15.737  162.372   13.061 -14.82571 20.45089 
1 1 1   14   -8   10 o  416.579   16.976  2201.70  176.597  1938.37  310.464  2327.65  214.717  381.469   32.913  426.953   20.139 -45.48367 38.58590 
1 1 1   14   -8   11 o  182.816   15.472  425.967   69.970  312.690  104.460  518.151   94.234  152.556   28.467  200.780   19.022 -48.22385 34.23745 
1 1 1   14   -8   12 o  349.465   18.760  1561.12  163.118  1406.57  233.492  1708.45  227.974  326.471   28.940  362.216   25.364 -35.74512 38.48195 
1 1 1   14   -8   13 o   98.243   11.597  123.150   27.903  133.344   42.076  115.147   37.280  101.074   17.292   93.936   16.494 7.137619 23.89715 
1 1 1   14   -8   14 o  246.589   10.774  764.813   66.343  649.026   94.610  876.828   93.056  225.348   16.936  262.947   14.225 -37.59886 22.11744 
1 1 1   14   -8   15 o  164.451   9.9565  341.093   40.695  340.289   59.333  341.808   55.922  163.295   14.708  163.874   13.794 -0.5782623 20.16420 
1 1 1   14   -8   16 o  341.524   12.525  1472.04  106.821  1393.27  151.702  1549.50  150.442  329.711   18.500  348.721   17.276 -19.01053 25.31193 
1 1 1   14   -8   17 o  135.715   10.592  233.207   35.613  240.066   50.835  226.596   49.905  136.741   15.141  132.756   15.336 3.984268 21.55117 
1 1 1   14   -8   18 o  299.565   16.004  1145.47  119.285  1024.04  165.578  1276.49  171.994  279.422   23.962  313.232   22.131 -33.81021 32.61796 
1 1 1   14   -8   19 o  291.273   11.780  1071.48   85.681  1025.86  121.320  1116.87  121.023  282.680   17.269  295.353   16.474 -12.67392 23.86699 
1 1 1   14   -8   20 o   63.917   15.901   54.205   25.276   65.823   31.922   34.679   41.383   70.249   18.088   57.771   21.481 12.47710 28.08267 
1 1 1   14   -8   21 o  178.288   10.899  403.245   48.291  384.563   66.359  424.276   70.407  172.685   15.555  181.394   15.698 -8.708969 22.09972 
1 1 1   14   -8   22 o   76.189   14.364   76.560   26.326   66.766   32.495   95.268   44.910   70.409   18.310   83.496   21.431 -13.08732 28.18739 
1 1 1   14   -8   23 o  104.937   12.778  142.589   32.792  149.623   41.291  130.576   53.963  106.495   16.023   97.026   22.679 9.468849 27.76795 
1 1 1   14   -8   24 o  196.430   16.554  506.765   80.446  529.026  122.197  489.737  106.873  194.209   25.838  188.780   23.156 5.429367 34.69571 
1 1 1   14   -8   25 o   79.763   14.477   84.932   27.774   92.479   32.779   65.727   52.293   82.625   16.465   70.273   24.387 12.35165 29.42490 
1 1 1   14   -8   26 o  272.120   11.496  952.257   78.122  967.889  106.190  933.816  115.338  270.504   15.789  263.907   17.602 6.596924 23.64586 
1 1 1   14   -8   27 o  146.106   11.895  277.838   43.022  289.808   54.074  257.193   71.016  147.592   14.874  134.345   21.924 13.24721 26.49394 
1 1 1   14   -8   28 o   42.527   15.368   21.107   20.942   30.452   22.807 -29.1010   52.866   48.365   16.119   44.031   20.371 4.334003 25.97655 
1 1 1   14   -8   29 o   94.981   40.334  175.765  166.616   0.0000   0.0000  175.765  166.616  ?   ?    94.981   40.334 0.000000 40.33384 
1 1 1   14   -8   30 o   84.812   15.334   99.567   31.281  111.267   35.539   59.334   65.903   89.070   16.589   66.721   26.494 22.34923 31.25844 
1 1 1   14   -8   31 o  105.805   14.927  154.454   38.344  137.805   45.000  198.576   73.257   96.901   19.275  109.304   26.998 -12.40305 33.17237 
1 1 1   14   -8   32 o  204.173   16.281  586.709   82.317  601.347   85.199  381.241  319.205  206.122   16.696   91.107   44.284 115.0145 47.32708 
1 1 1   14   -7    0 o  257.465   10.467  830.393   67.297  968.744   96.588  699.864   93.817  277.383   13.989  235.308   16.062 42.07477 21.29984 
1 1 1   14   -7    1 o  432.165   14.346  2347.10  154.825  2425.13  220.125  2270.71  217.804  437.923   20.129  423.628   20.589 14.29535 28.79366 
1 1 1   14   -7    2 o  143.670   13.504  261.535   47.880  271.229   66.398  251.034   69.109  145.383   18.724  139.408   20.461 5.975616 27.73491 
1 1 1   14   -7    3 o   82.964   16.278   89.695   32.520   72.023   44.799  109.377   47.280   74.806   22.302   91.092   21.185 -16.28594 30.75994 
1 1 1   14   -7    4 o  161.842   13.360  331.438   53.512  372.117   75.465  290.296   75.893  170.690   17.975  149.895   20.839 20.79463 27.51988 
1 1 1   14   -7    5 o  381.416   13.329  1829.40  126.952  1875.82  180.423  1783.88  178.664  384.885   18.772  374.761   19.155 10.12415 26.81982 
1 1 1   14   -7    6 o  172.684   9.6534  374.968   41.461  379.674   60.331  370.756   57.074  173.087   14.080  171.138   13.464 1.949066 19.48126 
1 1 1   14   -7    7 o  255.612   10.714  820.063   68.389  805.969   97.885  833.503   95.588  252.203   15.619  256.638   14.980 -4.435760 21.64186 
1 1 1   14   -7    8 o  187.239   9.6816  440.871   45.114  426.967   65.557  453.379   62.178  183.455   14.426  189.307   13.236 -5.852783 19.57836 
1 1 1   14   -7    9 o  255.798   14.997  828.994   95.380   0.0000   0.0000  828.994   95.380  ?   ?   255.798   14.997 0.000000 14.99723 
1 1 1   14   -7   10 o  130.567   15.490  218.441   49.521  218.441   49.521   0.0000   0.0000  130.567   15.490  ?   ?  0.000000 15.49028 
1 1 1   14   -7   11 o  218.284   10.433  598.472   56.871  552.039   82.234  641.037   78.735  208.243   15.935  224.940   14.088 -16.69719 21.26925 
1 1 1   14   -7   12 f  124.824   10.315  197.029   31.865  141.126   47.284  243.541   43.130  103.732   18.952  138.481   12.610 -34.74943 22.76380 
1 1 1   14   -7   13 o  117.766   16.074  178.876   46.037  131.602   74.107  208.585   58.748   99.045   28.456  126.557   19.191 -27.51149 34.32276 
1 1 1   14   -7   14 o  174.883   15.484  390.290   66.923  274.939  100.899  480.893   89.423  142.413   29.348  193.359   18.756 -50.94534 34.82925 
1 1 1   14   -7   15 f  259.432   10.833  846.503   70.183  754.658  100.147  935.142   98.384  243.237   16.587  271.510   14.564 -28.27226 22.07307 
1 1 1   14   -7   16 f  163.625   9.9941  337.671   40.640  273.648   58.828  396.121   56.209  145.904   16.432  176.731   12.824 -30.82690 20.84376 
1 1 1   14   -7   17 o  562.145   18.483  4036.42  259.466  3862.27  367.111  4210.25  366.769  542.931   27.077  568.042   25.856 -25.11072 37.43935 
1 1 1   14   -7   18 o  238.405   10.498  715.199   62.501  653.331   88.953  775.524   87.837  226.221   15.846  247.045   14.299 -20.82466 21.34418 
1 1 1   14   -7   19 o  146.286   10.692  270.885   38.789  263.417   54.493  278.555   55.225  143.175   15.488  147.343   15.229 -4.167496 21.72112 
1 1 1   14   -7   20 o  232.257   14.121  686.854   81.514  599.228  109.890  794.052  121.546  214.437   20.782  247.534   19.830 -33.09686 28.72486 
1 1 1   14   -7   21 o   84.307   13.245   92.220   26.966   89.844   34.547   95.925   43.140   82.249   17.365   84.421   20.637 -2.171646 26.97108 
1 1 1   14   -7   22 o  334.789   12.057  1420.46  100.801  1347.65  141.693  1495.08  143.433  322.955   17.636  341.082   16.840 -18.12689 24.38470 
1 1 1   14   -7   23 o  213.837   10.026  577.844   53.539  530.941   73.064  632.231   78.677  203.180   14.495  221.892   14.275 -18.71172 20.34414 
1 1 1   14   -7   24 o  184.035   11.157  431.795   51.034  464.821   68.522  390.655   76.477  189.613   14.583  172.160   18.058 17.45302 23.21102 
1 1 1   14   -7   25 o   53.463   16.227   37.651   23.562   29.938   27.269   60.376   46.807   50.128   17.598   67.987   23.090 -17.85986 29.03231 
1 1 1   14   -7   26 o  205.871   16.628  560.622   84.754  616.075  129.064  518.580  112.381  208.579   25.297  192.412   23.904 16.16739 34.80404 
1 1 1   14   -7   27 o  278.251   12.024  998.165   83.551  990.467  113.322  1007.33  123.675  272.786   16.716  273.542   18.209 -0.7565308 24.71880 
1 1 1   14   -7   28 o   33.946   13.741   7.4527   18.084   2.8978   19.427   37.024   49.499   32.842   13.850   58.815   23.085 -25.97276 26.92066 
1 1 1   14   -7   29 o   44.289   15.428   24.201   20.939   25.021   22.768   19.707   53.326   45.346   16.065   54.662   22.993 -9.315849 28.04915 
1 1 1   14   -7   30 o   70.781   17.766   71.179   31.354   64.746   31.882  260.308  172.869   67.322   18.427  107.773   42.873 -40.45039 46.66492 
1 1 1   14   -7   31 o   52.873   23.402   5.0544   61.073   0.0000   0.0000   5.0544   61.073  ?   ?    52.873   23.402 0.000000 23.40214 
1 1 1   14   -7   32 o   99.657   15.652  138.463   37.668  163.346   42.328   43.754   82.580  108.005   16.193   64.674   27.943 43.33115 32.29581 
1 1 1   14   -6    0 o  237.499   10.433  706.331   61.875  719.606   88.271  693.508   86.757  238.909   14.869  234.516   14.892 4.393448 21.04420 
1 1 1   14   -6    1 f  308.653   11.543  1193.94   88.968  1187.41  126.237  1200.38  125.407  306.772   16.540  308.487   16.337 -1.715637 23.24802 
1 1 1   14   -6    2 o  313.809   11.727  1234.56   91.899  1276.00  130.847  1194.21  129.099  317.978   16.535  307.522   16.876 10.45596 23.62645 
1 1 1   14   -6    3 o  323.409   11.505  1311.38   92.920  1466.10  132.627  1162.21  130.223  341.371   15.558  303.197   17.271 38.17386 23.24503 
1 1 1   14   -6    4 o  324.038   11.749  1317.10   95.074  1369.15  135.607  1266.79  133.333  329.645   16.473  316.567   16.928 13.07870 23.62035 
1 1 1   14   -6    5 o  276.728   15.579  967.460  107.221  1052.38  151.635  882.546  151.633  287.238   21.292  262.318   23.394 24.92032 31.63218 
1 1 1   14   -6    6 o  196.057   13.662  485.682   66.468  503.798   93.977  467.547   94.024  198.583   19.190  191.049   20.005 7.534012 27.72079 
1 1 1   14   -6    7 o  642.086   20.529  5237.27  329.166  5318.76  466.306  5156.33  464.721  641.541   29.107  631.398   29.474 10.14288 41.42377 
1 1 1   14   -6    8 o  191.278   9.7127  459.895   46.241  472.694   67.189  448.377   63.737  193.240   14.019  188.246   13.651 4.994507 19.56764 
1 1 1   14   -6    9 o  245.454   10.524  756.156   64.503  780.643   92.995  733.453   89.546  248.283   15.070  240.656   14.975 7.626968 21.24509 
1 1 1   14   -6   10 o  107.926   10.325  147.516   27.486  170.695   40.948  128.508   37.081  115.443   14.526   99.748   15.381 15.69513 21.15612 
1 1 1   14   -6   11 o  219.529   10.314  605.033   56.541  539.428   81.352  666.333   78.638  205.914   15.945  229.489   13.786 -23.57460 21.07856 
1 1 1   14   -6   12 o  175.720   9.7486  388.675   42.609  381.094   62.526  395.248   58.221  173.123   14.599  176.597   13.300 -3.473618 19.74896 
1 1 1   14   -6   13 o   95.553   10.885  116.210   25.510  105.506   38.954  124.248   33.756   89.580   18.038   98.231   14.171 -8.651627 22.93843 
1 1 1   14   -6   14 o   75.587   11.999   73.659   21.892   65.479   33.875   79.526   28.687   70.480   18.871   77.981   15.278 -7.500237 24.28020 
1 1 1   14   -6   15 o   81.779   19.936   88.795   40.344   26.503   66.092  125.792   50.935   64.940   26.274   97.228   21.545 -32.28816 33.97839 
1 1 1   14   -6   16 f  294.196   13.136  1092.08   96.508  1015.71  118.595  1241.79  166.049  282.282   16.902  310.298   21.563 -28.01627 27.39785 
1 1 1   14   -6   17 o  381.491   13.353  1837.70  127.211  1717.00  180.613  1956.52  179.202  365.789   19.847  391.703   18.320 -25.91397 27.01003 
1 1 1   14   -6   18 o  103.836   11.353  137.345   28.959  133.523   41.289  141.045   40.627  101.162   16.944  104.232   16.129 -3.070160 23.39331 
1 1 1   14   -6   19 o  178.031   10.048  399.767   44.489  334.673   63.271  463.428   62.570  161.569   15.887  191.061   13.195 -29.49260 20.65224 
1 1 1   14   -6   20 o  226.603   10.389  646.260   58.791  556.082   82.866  737.650   83.421  208.481   16.040  240.954   13.923 -32.47263 21.24020 
1 1 1   14   -6   21 o  220.096   11.781  613.284   64.517  575.123  103.754  637.341   82.380  210.412   19.986  223.493   14.845 -13.08089 24.89629 
1 1 1   14   -6   22 o   52.333   17.318   33.643   26.346   26.614   29.212   64.278   60.985   49.828   18.129   73.696   26.273 -23.86776 31.92032 
1 1 1   14   -6   23 o  352.427   12.735  1576.68  112.078  1539.02  157.682  1615.14  159.334  344.704   18.385  353.328   18.119 -8.623779 25.81296 
1 1 1   14   -6   24 o  282.669   11.515  1013.55   81.283  943.556  112.273  1090.65  117.831  269.923   16.739  290.528   16.307 -20.60498 23.36938 
1 1 1   14   -6   25 o  225.629   11.130  646.741   62.708  638.466   85.237  656.505   92.582  221.927   15.477  224.418   16.639 -2.491257 22.72431 
1 1 1   14   -6   26 o  192.811   11.625  476.177   55.709  485.368   74.536  464.543   83.855  192.746   15.620  187.093   18.178 5.652359 23.96686 
1 1 1   14   -6   27 o  411.689   17.345  2240.25  178.316  2560.97  311.229  2083.52  217.566  417.062   30.085  389.326   22.474 27.73602 37.55259 
1 1 1   14   -6   28 o  103.501   13.007  140.732   32.876  142.663   37.995  134.982   65.581  103.329   15.177   94.943   26.598 8.386108 30.62377 
1 1 1   14   -6   29 o  ?   ?  -32.0641   8.4204 -31.4953   8.5633 -48.6809   46.284   11.426   5.7977   37.800   17.974 -26.37475 18.88578 
1 1 1   14   -6   30 o   65.454   16.650   59.731   27.280   67.237   30.875   33.018   58.249   69.107   17.787   59.683   24.470 9.424438 30.25135 
1 1 1   14   -6   31 o  103.877   14.489  145.701   36.561  175.423   43.321   72.129   68.157  113.418   15.718   71.588   27.358 41.82950 31.55169 
1 1 1   14   -6   32 o   99.181   17.888  139.497   42.675  135.344   43.390  262.374  236.004   97.240   18.546   99.135   44.776 -1.895164 48.46500 
1 1 1   14   -6   33 f  156.384   12.809  327.261   49.582  321.533   59.660  340.052   89.152  152.300   15.922  146.553   25.273 5.747055 29.87064 
1 1 1   14   -5    0 o  212.850   9.8625  567.007   52.422  509.465   74.708  622.820   73.577  200.903   14.999  222.474   13.305 -21.57169 20.04986 
1 1 1   14   -5    1 f  291.009   11.260  1060.76   81.828  1074.58  116.284  1047.21  115.167  291.994   16.009  288.230   16.065 3.764008 22.67921 
1 1 1   14   -5    2 o  150.657   9.6352  285.246   36.060  277.047   52.275  292.690   49.807  147.875   14.336  152.186   13.238 -4.311646 19.51310 
1 1 1   14   -5    3 o  668.207   20.853  5642.81  347.959  5773.22  492.729  5513.08  491.452  671.925   29.365  656.281   29.987 15.64386 41.97114 
1 1 1   14   -5    4 o  291.373   11.189  1063.99   81.411  1125.52  116.068  1004.41  114.218  298.754   15.612  282.052   16.286 16.70267 22.56010 
1 1 1   14   -5    5 o  383.106   13.285  1842.92  127.100  1892.19  180.609  1794.58  178.898  387.130   18.682  376.456   19.093 10.67426 26.71245 
1 1 1   14   -5    6 o   96.293   10.888  117.714   25.721  117.226   38.011  118.126   34.932   95.098   16.611   95.752   15.110 -0.6534882 22.45539 
1 1 1   14   -5    7 o  542.073   17.175  3709.17  232.484  3704.69  329.428  3713.61  328.140  538.734   24.487  539.443   24.359 -0.7089844 34.53960 
1 1 1   14   -5    8 o  463.636   31.961  2805.27  367.776   0.0000   0.0000  2805.27  367.776  ?   ?   463.636   31.961 0.000000 31.96078 
1 1 1   14   -5    9 f  247.190   21.126  782.891  129.156  782.891  129.156   0.0000   0.0000  247.190   21.126  ?   ?  0.000000 21.12627 
1 1 1   14   -5   10 o  169.119   9.4289  359.673   39.662  366.484   57.916  353.658   54.428  170.045   13.757  167.133   13.147 2.912354 19.02887 
1 1 1   14   -5   11 o  208.016   9.7698  542.777   50.750  549.100   73.366  536.975   70.277  208.224   14.194  205.993   13.741 2.230835 19.75546 
1 1 1   14   -5   12 o  148.941   9.4930  279.361   35.124  258.439   51.772  297.203   47.810  142.343   14.781  153.159   12.612 -10.81627 19.43033 
1 1 1   14   -5   13 o   55.844   13.816   40.877   19.161   35.075   30.584   44.625   24.584   54.654   18.664   58.510   16.247 -3.855320 24.74548 
1 1 1   14   -5   14 o  339.164   12.816  1449.22  108.545  1317.83  154.341  1577.81  152.684  321.053   19.341  352.585   17.341 -31.53171 25.97699 
1 1 1   14   -5   15 o  206.433   10.212  535.235   52.643  454.139   75.871  610.522   73.103  188.635   16.266  219.614   13.394 -30.97899 21.07054 
1 1 1   14   -5   16 o  163.524   9.6041  336.814   39.046  265.261   56.927  400.383   53.657  143.807   16.130  177.902   12.151 -34.09447 20.19452 
1 1 1   14   -5   17 o  126.676   15.869  206.414   49.097  174.757   77.541  227.598   63.431  113.562   27.611  132.098   19.842 -18.53515 34.00105 
1 1 1   14   -5   18 o  101.851   13.348  133.123   33.133  110.378   40.919  176.432   56.464   91.473   18.548  115.831   20.259 -24.35729 27.46712 
1 1 1   14   -5   19 f  279.351   11.287  982.465   78.735  845.781  111.744  1117.23  110.956  257.147   17.506  296.587   15.030 -39.44009 23.07313 
1 1 1   14   -5   20 o  181.647   10.331  416.316   46.669  321.159   65.923  511.920   66.078  157.968   16.978  200.855   13.249 -42.88631 21.53556 
1 1 1   14   -5   21 o  170.557   10.249  367.290   43.451  350.782   61.238  384.026   61.662  165.618   14.969  173.504   14.361 -7.885696 20.74342 
1 1 1   14   -5   22 o  176.100   10.089  391.599   44.182  298.645   61.302  492.074   63.734  152.211   16.386  196.773   13.044 -44.56210 20.94434 
1 1 1   14   -5   23 o  399.035   18.578  2049.56  185.126  1758.67  255.977  2368.55  268.057  361.422   28.595  422.763   25.510 -61.34103 38.32079 
1 1 1   14   -5   24 o   95.802   14.502  119.530   33.608   66.318   37.620  329.847   74.791   70.501   20.280  158.486   19.296 -87.98520 27.99343 
1 1 1   14   -5   25 o  193.116   10.532  473.236   50.596  433.578   67.974  522.508   75.766  183.315   14.980  201.254   15.188 -17.93958 21.33206 
1 1 1   14   -5   26 o  389.070   14.005  1942.75  136.070  2010.53  190.398  1872.01  194.534  390.846   19.508  375.324   20.838 15.52176 28.54396 
1 1 1   14   -5   27 o  356.730   13.324  1636.11  118.691  1647.95  165.390  1623.53  170.432  352.547   18.855  349.068   19.632 3.480072 27.21947 
1 1 1   14   -5   28 o   51.435   16.192   34.654   23.209   41.819   26.171   8.2705   50.221   55.980   17.125   51.730   22.060 4.250328 27.92670 
1 1 1   14   -5   29 o   95.625   22.688  131.647   53.360   51.543   88.080  178.092   67.069   72.402   29.931  110.229   24.947 -37.82613 38.96452 
1 1 1   14   -5   30 o   60.073   15.708   49.588   23.831   44.591   26.391   71.667   55.473   57.119   17.137   71.566   25.102 -14.44727 30.39368 
1 1 1   14   -5   31 o   81.127   17.064   91.562   33.475   93.577   34.160   42.836  167.993   81.957   17.237   81.336   37.144 0.6213226 40.94852 
1 1 1   14   -5   32 o   98.599   14.435  131.415   34.488  161.487   40.464   51.545   65.943  108.992   15.287   65.658   26.357 43.33449 30.46954 
1 1 1   14   -5   33 o   70.995   16.747   71.541   29.210   66.758   32.425   92.138   67.284   67.856   18.587   76.294   27.551 -8.437981 33.23446 
1 1 1   14   -5   34 o   56.694   17.868   45.995   28.254   42.125   28.380  476.137  299.244   54.667   17.969  104.988   48.535 -50.32039 51.75454 
1 1 1   14   -4    0 o  174.014   9.7634  380.064   42.255  364.292   60.825  394.776   58.744  169.811   14.482  176.965   13.392 -7.155029 19.72549 
1 1 1   14   -4    1 o  519.530   16.865  3391.98  218.798  3379.90  309.714  3404.01  309.142  516.899   23.994  518.776   23.863 -1.876709 33.84029 
1 1 1   14   -4    2 o  209.784   9.9541  550.796   52.146  572.805   74.602  529.768   72.919  213.223   14.090  204.987   14.335 8.235428 20.10064 
1 1 1   14   -4    3 o  249.611   10.580  780.140   65.945  772.430   94.031  787.602   92.508  247.532   15.287  250.022   14.884 -2.489548 21.33595 
1 1 1   14   -4    4 o  218.294   9.9918  596.574   54.467  582.766   77.902  609.781   76.184  214.941   14.600  219.985   13.940 -5.044662 20.18661 
1 1 1   14   -4    5 o  354.257   12.364  1573.82  109.375  1636.62  155.583  1512.46  153.793  360.507   17.282  346.016   17.860 14.49106 24.85239 
1 1 1   14   -4    6 o  405.873   13.777  2068.91  139.634  2150.71  198.342  1988.52  196.613  412.677   19.247  396.167   19.938 16.51025 27.71178 
1 1 1   14   -4    7 o  301.420   11.434  1139.36   86.067  1101.15  122.581  1176.50  120.870  295.138   16.701  305.268   15.911 -10.13040 23.06654 
1 1 1   14   -4    8 o  496.764   16.209  3110.53  201.077  3183.37  285.016  3038.36  283.721  500.237   22.816  488.536   23.257 11.70181 32.57977 
1 1 1   14   -4    9 o  128.226   9.6537  207.197   30.685  239.204   45.452  180.393   41.593  137.286   13.430  118.889   14.296 18.39626 19.61506 
1 1 1   14   -4   10 o  194.208   13.491  476.777   65.024  483.246   92.093  470.347   91.823  194.315   19.231  191.624   19.459 2.691254 27.35858 
1 1 1   14   -4   11 o  221.556   13.945  620.654   76.761  654.367  108.547  586.929  108.566  226.225   19.402  213.846   20.585 12.37978 28.28729 
1 1 1   14   -4   12 o  222.724   10.039  622.362   55.833  636.293   80.731  609.591   77.300  224.167   14.499  219.461   14.181 4.706467 20.28124 
1 1 1   14   -4   13 o  193.409   9.5537  469.194   46.142  460.222   67.322  477.144   63.368  190.504   14.255  194.214   13.143 -3.709747 19.38929 
1 1 1   14   -4   14 o  320.574   12.321  1293.32   98.634  1151.75  140.471  1430.99  138.529  300.396   18.821  336.159   16.502 -35.76285 25.03109 
1 1 1   14   -4   15 o  232.931   10.699  681.646   62.233  597.493   89.583  760.140   86.519  216.510   16.698  245.005   14.202 -28.49490 21.92082 
1 1 1   14   -4   16 o   82.138   11.623   86.519   23.175   93.716   35.204   81.015   30.787   84.450   17.276   78.574   16.228 5.876526 23.70216 
1 1 1   14   -4   17 o  117.134   10.155  173.601   29.411  127.504   43.639  211.963   39.810   98.585   18.403  129.124   12.503 -30.53880 22.24840 
1 1 1   14   -4   18 o  200.514   10.282  506.463   51.310  413.998   73.721  593.338   71.458  179.896   16.598  216.464   13.284 -36.56743 21.25870 
1 1 1   14   -4   19 f   99.054   18.346  128.810   43.710  145.076   71.578  119.137   55.196  103.565   27.293   94.281   23.521 9.283859 36.02986 
1 1 1   14   -4   20 o  444.138   16.701  2507.34  185.228  2329.65  226.791  2863.33  321.013  425.199   21.428  466.780   27.663 -41.58066 34.99145 
1 1 1   14   -4   21 o  242.078   10.132  736.806   61.247  576.812   86.534  897.404   86.697  212.389   16.444  266.558   13.025 -54.16954 20.97714 
1 1 1   14   -4   22 o  216.590   10.263  590.218   55.511  490.599   78.019  692.359   79.000  195.760   16.102  233.532   13.606 -37.77164 21.08076 
1 1 1   14   -4   23 o   68.149   14.636   61.164   24.164   49.346   30.749   80.245   39.073   61.650   18.499   77.497   20.041 -15.84716 27.27336 
1 1 1   14   -4   24 o  101.156   11.548  130.908   28.648  101.300   36.137  180.996   47.001   87.506   17.150  117.936   16.403 -30.42953 23.73194 
1 1 1   14   -4   25 f  282.069   14.412  1017.44  101.174  776.063  132.626  1353.42  156.475  242.311   22.164  322.350   19.531 -80.03920 29.54123 
1 1 1   14   -4   26 o  147.925   11.082  278.805   40.640  271.902   52.478  289.147   64.234  144.978   14.698  148.437   17.677 -3.458954 22.98919 
1 1 1   14   -4   27 o  272.836   11.856  948.297   80.777  976.378  111.124  916.833  117.626  273.997   16.315  264.398   17.921 9.599304 24.23509 
1 1 1   14   -4   28 o   91.356   13.477  109.487   29.822  129.669   35.858   64.212   53.708   99.062   14.962   70.451   24.700 28.61045 28.87790 
1 1 1   14   -4   29 o   63.693   15.378   55.022   24.182   47.376   27.357   82.342   51.713   59.171   17.374   76.466   24.182 -17.29487 29.77614 
1 1 1   14   -4   30 o  113.139   22.778  183.139   62.128   0.0000   0.0000  183.139   62.128  ?   ?   113.139   22.778 0.000000 22.77798 
1 1 1   14   -4   31 o  121.549   33.743  246.795  106.048  246.795  106.048   0.0000   0.0000  121.549   33.743  ?   ?  0.000000 33.74258 
1 1 1   14   -4   32 o   81.739   15.865   91.756   31.215  132.250   36.196 -25.7563   61.661   98.879   15.141   48.455   22.267 50.42442 26.92706 
1 1 1   14   -4   33 o  102.574   13.665  141.044   34.132  132.674   39.326  166.597   68.715   97.854   16.692  102.771   26.577 -4.916374 31.38437 
1 1 1   14   -4   34 o   83.051   15.768   96.116   31.506   92.941   35.612  107.555   67.588   80.352   18.173   81.071   27.746 -0.7195358 33.16784 
1 1 1   14   -4   35 o   73.340   19.160   79.986   35.475   83.347   35.685 -203.4705  327.692   74.956   19.030   74.056   37.380 0.9005966 41.94521 
1 1 1   14   -3    0 o  344.837   12.296  1489.28  105.882  1444.97  150.100  1533.17  149.382  338.642   17.812  349.381   17.122 -10.73892 24.70690 
1 1 1   14   -3    1 f  535.784   17.331  3606.80  231.878  3600.16  328.283  3613.42  327.568  533.591   24.637  534.600   24.537 -1.009277 34.77138 
1 1 1   14   -3    2 o  256.223   10.537  821.684   67.421  800.299   95.888  842.593   94.815  252.072   15.306  258.750   14.735 -6.677765 21.24565 
1 1 1   14   -3    3 f  144.389   9.5908  262.002   34.384  262.389   49.494  261.641   47.804  143.980   13.940  143.837   13.466 0.1426239 19.38182 
1 1 1   14   -3    4 o  282.152   10.923  996.881   76.962  1067.33  109.909  929.103  107.803  291.173   15.168  271.484   15.972 19.68893 22.02675 
1 1 1   14   -3    5 o  229.750   9.8877  660.740   56.729  691.573   81.264  631.433   79.227  234.348   13.949  223.847   14.247 10.50034 19.93928 
1 1 1   14   -3    6 o  252.726   10.406  799.881   65.671  824.012   93.889  776.767   91.888  255.702   14.767  248.220   14.893 7.482391 20.97276 
1 1 1   14   -3    7 o  151.204   13.452  289.249   50.264   0.0000   0.0000  289.249   50.264  ?   ?   151.204   13.452 0.000000 13.45241 
1 1 1   14   -3    8 f  265.550   15.347  890.141  101.338  890.141  101.338   0.0000   0.0000  265.550   15.347  ?   ?  0.000000 15.34722 
1 1 1   14   -3    9 o  257.000   10.611  827.989   68.096  804.196   97.020  851.091   95.600  252.252   15.477  259.659   14.805 -7.406860 21.41761 
1 1 1   14   -3   10 o  158.703   9.3140  316.606   36.750  307.517   53.384  324.794   50.668  155.756   13.870  160.283   12.765 -4.526505 18.85005 
1 1 1   14   -3   11 o  278.491   10.712  973.011   74.496  999.771  106.487  947.361  104.256  281.214   15.220  273.701   15.315 7.512878 21.59197 
1 1 1   14   -3   12 o  218.272   9.7898  597.410   53.361  606.105   76.751  589.275   74.239  218.910   14.115  215.889   13.843 3.020065 19.77072 
1 1 1   14   -3   13 o  231.902   14.117  680.245   81.363  680.595  115.206  679.897  114.925  230.418   20.227  230.310   20.186 0.1076508 28.57633 
1 1 1   14   -3   14 o  245.558   10.716  757.173   65.712  700.985   94.467  809.848   91.467  234.882   16.205  252.950   14.542 -18.06804 21.77274 
1 1 1   14   -3   15 o  294.267   11.675  1088.81   85.794  970.475  122.374  1203.19  120.313  275.982   17.852  308.086   15.690 -32.10474 23.76728 
1 1 1   14   -3   16 o  170.739   9.6962  366.985   41.171  358.751   60.202  374.220   56.430  167.960   14.495  171.818   13.254 -3.857986 19.64161 
1 1 1   14   -3   17 o  303.738   11.791  1160.79   89.434  1051.11  127.555  1266.85  125.430  287.084   17.881  315.926   15.950 -28.84146 23.96158 
1 1 1   14   -3   18 o  146.729   9.8038  271.474   35.715  173.818   52.391  356.260   48.817  115.426   18.825  167.861   11.719 -52.43480 22.17484 
1 1 1   14   -3   19 o  224.170   10.379  631.424   58.101  527.446   83.548  728.797   80.852  203.244   16.607  239.934   13.550 -36.69029 21.43289 
1 1 1   14   -3   20 o  311.919   11.506  1224.64   89.626  1063.82  127.398  1382.23  126.113  288.606   17.763  330.368   15.287 -41.76154 23.43526 
1 1 1   14   -3   21 o  197.088   15.573  495.450   76.022  431.105  114.451  546.254  101.698  180.275   26.190  205.629   20.061 -25.35370 32.98969 
1 1 1   14   -3   22 o   89.855   12.523  103.776   27.335  112.053   36.404   93.076   41.391   92.602   16.340   83.586   20.081 9.016304 25.88873 
1 1 1   14   -3   23 o   98.819   11.656  124.783   28.211  114.458   37.397  138.419   42.975   93.490   16.628  102.851   17.349 -9.361412 24.03090 
1 1 1   14   -3   24 o  157.662   10.593  314.534   41.466  317.849   56.923  310.786   60.525  157.560   14.635  155.462   15.810 2.097321 21.54393 
1 1 1   14   -3   25 o  186.132   10.125  437.874   46.886  341.996   63.690  551.308   69.276  162.927   15.855  208.020   13.408 -45.09282 20.76393 
1 1 1   14   -3   26 o  330.012   11.788  1379.95   97.146  1245.45  135.638  1521.61  139.202  310.316   17.576  344.318   16.190 -34.00250 23.89574 
1 1 1   14   -3   27 o   71.978   17.545   69.734   31.250   80.780   33.358  -9.4834   89.332   77.493   17.635   64.238   28.374 13.25453 33.40765 
1 1 1   14   -3   28 o  106.939   11.850  147.404   31.114  149.269   37.964  143.588   54.301  106.775   14.622  101.978   21.972 4.796967 26.39254 
1 1 1   14   -3   29 o  231.782   10.940  684.736   63.323  617.115   84.920  769.428   95.037  217.177   15.766  242.604   15.773 -25.42735 22.30116 
1 1 1   14   -3   30 o  179.172   10.863  411.769   48.374  364.954   61.855  485.490   77.621  166.625   15.027  191.474   16.392 -24.84950 22.23753 
1 1 1   14   -3   31 o   48.382   15.507   30.507   21.211   30.504   23.186   30.521   52.520   48.824   16.251   58.161   23.460 -9.337727 28.53922 
1 1 1   14   -3   32 o   64.289   23.210   54.198   47.747   20.025   91.714   66.904   55.924   66.363   29.049   69.951   25.135 -3.588287 38.41377 
1 1 1   14   -3   33 o  140.041   12.627  257.643   43.682  252.203   51.774  271.078   81.371  136.924   15.410  134.627   25.128 2.297394 29.47697 
1 1 1   14   -3   34 o   49.820   16.537   32.954   24.016   36.771   26.261   13.455   59.363   52.290   17.290   54.624   23.646 -2.334148 29.29287 
1 1 1   14   -3   35 o  156.928   12.378  326.256   48.112  322.621   58.075  334.211   85.907  153.742   15.331  147.972   24.076 5.769257 28.54333 
1 1 1   14   -2    0 o  289.941   10.954  1052.02   79.313  1012.78  112.363  1090.98  111.971  283.686   15.926  294.557   15.275 -10.87143 22.06682 
1 1 1   14   -2    1 o  364.936   14.521  1669.67  132.333  1735.09  163.012  1543.23  226.622  371.666   17.564  348.290   26.249 23.37543 31.58318 
1 1 1   14   -2    2 o  282.367   10.948  997.924   77.196  1049.18  109.741  947.713  108.612  288.802   15.271  274.349   15.922 14.45325 22.06143 
1 1 1   14   -2    3 o  316.146   11.834  1251.64   93.428  1247.89  132.596  1255.33  131.664  314.740   16.933  315.709   16.761 -0.9683838 23.82506 
1 1 1   14   -2    4 o  186.509   9.5269  436.338   44.223  460.322   63.452  413.684   61.668  191.166   13.376  181.128   13.736 10.03780 19.17305 
1 1 1   14   -2    5 o  415.012   14.059  2160.56  145.705  2207.21  206.561  2114.36  205.558  418.520   19.764  409.558   20.099 8.961884 28.18847 
1 1 1   14   -2    6 o  583.478   21.451  4300.35  312.550  4193.94  540.906  4353.69  382.952  567.917   38.365  585.430   26.195 -17.51270 46.45518 
1 1 1   14   -2    7 o  252.045   10.550  795.595   66.402  768.422   94.017  822.641   93.797  246.822   15.329  255.504   14.764 -8.681931 21.28272 
1 1 1   14   -2    8 o  473.688   15.391  2821.26  182.058  2866.11  258.054  2776.82  256.887  475.798   21.719  468.253   21.969 7.544708 30.89255 
1 1 1   14   -2    9 o  147.247   9.3359  272.561   34.151  274.171   49.615  271.112   47.078  147.120   13.661  146.386   13.014 0.7337341 18.86780 
1 1 1   14   -2   10 o   65.416   12.739   55.565   20.062   54.851   30.609   56.102   26.563   64.981   18.160   65.451   16.311 -0.4704285 24.40959 
1 1 1   14   -2   11 o  203.741   9.7086  520.169   49.395  510.449   71.283  529.148   68.510  200.910   14.301  204.716   13.477 -3.806168 19.65084 
1 1 1   14   -2   12 o  153.088   9.2757  294.730   35.293  329.462   51.781  264.597   48.231  161.369   12.959  144.406   13.533 16.96248 18.73698 
1 1 1   14   -2   13 o  185.656   9.5378  433.235   44.070  392.950   63.655  470.317   61.073  175.978   14.617  192.974   12.745 -16.99539 19.39371 
1 1 1   14   -2   14 o   96.973   9.9945  119.201   23.856  121.905   36.046  117.094   31.822   97.122   15.374   95.465   13.745 1.656807 20.62243 
1 1 1   14   -2   15 o  171.163   12.912  370.844   54.785  341.495   77.962  399.475   77.002  162.749   19.576  176.670   17.691 -13.92163 26.38538 
1 1 1   14   -2   16 o  133.263   12.614  225.494   41.476  225.990   59.652  225.030   57.710  132.145   18.591  132.007   17.974 0.1375122 25.85880 
1 1 1   14   -2   17 o  121.353   9.7135  185.964   29.189  161.590   43.816  205.412   39.138  111.885   16.150  127.141   12.488 -15.25529 20.41517 
1 1 1   14   -2   18 o  164.899   9.7738  342.475   40.068  300.606   58.441  379.613   55.040  153.412   15.466  173.123   12.823 -19.71106 20.09005 
1 1 1   14   -2   19 o  157.794   9.7131  313.708   38.088  252.592   55.357  368.650   52.486  140.334   16.087  170.650   12.401 -30.31589 20.31211 
1 1 1   14   -2   20 o  325.438   12.099  1333.68   98.322  1152.29  139.778  1511.34  138.330  300.176   18.741  345.329   16.041 -45.15283 24.66847 
1 1 1   14   -2   21 o   73.896   13.331   70.971   23.695   52.956   33.218   89.636   33.810   64.045   19.229   82.556   16.967 -18.51060 25.64463 
1 1 1   14   -2   22 o  227.198   10.334  648.903   58.632  519.885   83.052  777.092   82.785  201.628   16.644  247.700   13.434 -46.07141 21.38865 
1 1 1   14   -2   23 o  266.811   16.701  908.911  110.714  829.183  162.225  978.422  151.474  250.735   26.301  274.554   22.286 -23.81882 34.47288 
1 1 1   14   -2   24 o   37.323   14.493   11.211   19.346   2.1689   23.110   32.386   35.365   35.910   15.122   54.905   19.951 -18.99524 25.03472 
1 1 1   14   -2   25 o  214.741   9.5494  580.045   51.209  442.139   70.533  733.765   74.467  185.812   15.338  240.601   12.437 -54.78909 19.74649 
1 1 1   14   -2   26 o  163.633   9.7446  338.446   39.638  224.267   52.833  485.479   59.954  131.426   16.459  195.427   12.349 -64.00105 20.57642 
1 1 1   14   -2   27 o  161.348   10.501  330.307   42.078  266.104   55.646  416.040   64.303  143.242   15.821  179.963   14.430 -36.72101 21.41291 
1 1 1   14   -2   28 o  260.460   10.925  860.053   71.058  758.291   97.392  975.882  103.905  241.889   16.217  275.134   15.182 -33.24586 22.21463 
1 1 1   14   -2   29 o   48.010   16.412   27.967   23.649   22.996   24.361  109.305   98.540   45.642   16.563   90.304   33.229 -44.66184 37.12807 
1 1 1   14   -2   30 f   59.015   16.202   46.996   24.605   44.968   25.165   90.968  117.195   57.836   16.573   87.264   35.099 -29.42814 38.81515 
1 1 1   14   -2   31 o   81.707   13.591   88.552   26.758   73.280   30.730  136.431   54.411   73.082   17.136   97.789   22.716 -24.70681 28.45442 
1 1 1   14   -2   32 o   48.518   15.697   30.594   21.695   32.161   23.852   23.083   52.209   49.903   16.476   55.914   23.074 -6.011505 28.35262 
1 1 1   14   -2   33 o  118.698   12.791  185.099   37.314  179.471   44.668  198.096   67.879  115.334   15.935  116.050   24.206 -0.7165298 28.98056 
1 1 1   14   -2   34 o   50.630   21.758   9.4980   49.542   43.427   97.588  -2.2822   57.503   70.681   30.458   51.072   22.651 19.60956 37.95713 
1 1 1   14   -2   35 o  134.710   13.166  241.165   43.722  230.596   52.419  265.331   79.261  129.474   16.595  131.922   24.975 -2.448013 29.98516 
1 1 1   14   -2   36 o   69.201   17.233   68.699   29.666   87.571   33.238  -5.2160   65.781   78.184   17.465   52.214   23.606 25.97029 29.36457 
1 1 1   14   -1    0 o  264.234   22.359  885.637  146.148  885.637  146.148   0.0000   0.0000  264.234   22.359  ?   ?  0.000000 22.35868 
1 1 1   14   -1    1 o  558.687   25.426  3943.25  354.731  3998.78  503.374  3888.47  499.975  558.142   36.313  550.245   36.595 7.897400 51.55453 
1 1 1   14   -1    2 o  556.628   25.458  3915.82  353.871  3865.99  501.753  3965.15  499.155  548.324   36.858  555.633   36.172 -7.309570 51.64217 
1 1 1   14   -1    3 o  121.158   13.814  186.335   41.047  244.846   64.445  146.395   53.244  138.245   19.185  106.025   20.853 32.22046 28.33555 
1 1 1   14   -1    4 o  403.580   19.921  2050.30  200.769  1898.15  285.605  2198.92  282.283  385.268   29.921  415.608   27.352 -30.33960 40.53851 
1 1 1   14   -1    5 f  399.440   19.622  2008.88  195.727  1958.87  278.608  2057.61  275.025  391.598   28.690  401.732   27.582 -10.13361 39.79826 
1 1 1   14   -1    6 o  329.592   17.676  1370.06  144.949  1266.81  208.167  1467.24  201.951  314.841   26.730  339.724   23.959 -24.88330 35.89550 
1 1 1   14   -1    7 o  415.376   16.147  2168.35  167.492  1949.52  204.823  2610.05  290.993  392.444   20.976  452.735   25.846 -60.29166 33.28683 
1 1 1   14   -1    8 o  348.703   12.321  1524.45  107.285  1502.94  152.266  1545.65  151.187  345.037   17.732  350.428   17.277 -5.391296 24.75708 
1 1 1   14   -1    9 o  192.052   9.2707  461.698   44.462  482.592   64.047  442.263   61.771  195.660   13.185  187.252   13.297 8.408020 18.72554 
1 1 1   14   -1   10 o  230.883   10.117  667.782   58.328  680.136   83.568  656.046   81.450  232.166   14.486  228.020   14.378 4.146133 20.41034 
1 1 1   14   -1   11 o  239.221   10.228  717.162   61.100  701.310   87.560  732.207   85.302  235.606   14.960  240.889   14.244 -5.283371 20.65623 
1 1 1   14   -1   12 o  299.590   11.313  1126.18   84.637  1161.29  120.713  1092.23  118.703  303.072   16.007  293.844   16.240 9.228333 22.80235 
1 1 1   14   -1   13 o   69.170   12.089   61.829   20.121   51.806   30.397   69.647   26.844   63.276   18.238   73.005   15.218 -9.729069 23.75319 
1 1 1   14   -1   14 o  195.262   9.4862  477.960   46.255  459.460   66.741  495.059   64.165  190.474   14.132  197.951   13.054 -7.477661 19.23849 
1 1 1   14   -1   15 o   93.431   10.163  110.799   23.329  103.678   35.225  116.363   31.137   89.200   16.419   95.215   13.472 -6.014587 21.23823 
1 1 1   14   -1   16 o  373.654   13.067  1757.87  121.922  1684.93  173.291  1829.36  171.570  363.612   19.152  379.731   18.093 -16.11902 26.34714 
1 1 1   14   -1   17 o   53.316   15.661   36.547   22.226   72.492   33.375   7.9035   29.793   74.125   18.171   42.624   17.491 31.50056 25.22138 
1 1 1   14   -1   18 o  205.895   13.474  536.618   68.896  481.621   97.518  591.424   97.348  193.244   20.522  215.003   18.306 -21.75912 27.50022 
1 1 1   14   -1   19 o  241.841   10.555  734.703   63.745  581.677   91.264  880.473   89.074  213.445   17.270  263.892   13.563 -50.44672 21.95922 
1 1 1   14   -1   20 o  275.721   10.977  955.621   75.581  806.646  108.051  1098.35  105.761  251.502   17.310  294.891   14.362 -43.38828 22.49197 
1 1 1   14   -1   21 o  244.666   10.627  752.326   64.930  601.346   92.610  898.287   91.058  216.947   17.236  266.426   13.733 -49.47945 22.03853 
1 1 1   14   -1   22 o  183.231   9.6583  422.716   44.036  354.768   62.984  487.697   61.593  166.714   15.300  196.294   12.632 -29.58031 19.84081 
1 1 1   14   -1   23 o  310.056   11.380  1210.24   88.115  953.891  124.558  1467.04  124.668  272.900   18.385  340.452   14.664 -67.55225 23.51648 
1 1 1   14   -1   24 o   60.046   15.192   47.475   22.798   42.825   29.540   54.325   35.853   58.148   18.262   65.034   20.069 -6.886036 27.13448 
1 1 1   14   -1   25 o  178.921   16.158  410.534   71.415  304.451  109.983  487.866   93.904  148.755   30.628  194.009   19.654 -45.25388 36.39146 
1 1 1   14   -1   26 f  118.212   10.783  177.582   31.480  152.414   40.973  213.845   49.182  108.355   15.592  128.685   15.625 -20.32920 22.07382 
1 1 1   14   -1   27 o  148.887   10.664  281.195   39.385  266.414   52.146  300.826   60.094  143.874   14.721  152.573   16.011 -8.698273 21.75031 
1 1 1   14   -1   28 o  283.309   11.389  1016.89   80.577  895.889  111.347  1149.92  116.753  263.080   17.040  298.959   15.694 -35.87933 23.16611 
1 1 1   14   -1   29 o  260.414   17.235  883.611  111.447   0.0000   0.0000  883.611  111.447  ?   ?   260.414   17.235 0.000000 17.23517 
1 1 1   14   -1   30 o  106.538   17.067  151.350   43.874  151.350   43.874   0.0000   0.0000  106.538   17.067  ?   ?  0.000000 17.06743 
1 1 1   14   -1   31 o   31.033   13.022   2.5394   17.036   4.2491   17.228 -72.7480  114.325   31.985   13.231   62.103   29.136 -30.11788 31.99931 
1 1 1   14   -1   32 o  103.902   13.233  141.724   33.555  143.733   40.376  137.237   60.332  103.462   16.156   96.968   24.813 6.493660 29.60878 
1 1 1   14   -1   33 o  102.088   13.065  137.235   32.544  140.937   38.550  128.054   60.711  102.415   15.563   92.748   25.446 9.667152 29.82769 
1 1 1   14   -1   34 o  116.094   12.705  177.120   36.231  181.469   43.046  166.552   67.100  116.330   15.180  104.997   25.781 11.33260 29.91754 
1 1 1   14   -1   35 o  113.375   22.284  187.747   60.840  197.498  111.918  183.656   72.486  104.440   35.704  108.542   26.883 -4.102592 44.69287 
1 1 1   14   -1   36 o   43.812   16.209   22.129   23.504   25.448   25.557   3.9134   59.865   46.192   16.934   52.554   23.220 -6.361546 28.73851 
1 1 1   14   -1   37 o   93.449   15.360  121.046   34.598  119.537   39.416  126.112   72.219   91.284   17.931   85.841   28.684 5.442711 33.82730 
1 1 1   14    0    0 o  759.943   23.506  7278.58  446.076  7375.24  631.164  7182.12  630.531  761.456   33.193  751.246   33.610 10.21069 47.23804 
1 1 1   14    0    1 o  539.726   17.304  3656.09  233.217  3815.44  330.280  3497.63  329.360  550.041   24.046  526.411   25.055 23.62970 34.72680 
1 1 1   14    0    2 o  406.434   13.603  2069.35  138.067  2105.40  195.658  2033.60  194.857  409.299   19.143  402.224   19.400 7.074860 27.25436 
1 1 1   14    0    3 o  450.351   14.998  2542.89  168.670  2560.18  238.880  2525.70  238.192  450.946   21.213  447.884   21.297 3.061676 30.05893 
1 1 1   14    0    4 o  119.326   9.8228  179.316   29.010  178.262   42.213  180.260   39.935  118.359   14.591  119.167   13.667 -0.8077011 19.99193 
1 1 1   14    0    5 o  206.665   14.078  537.886   72.219   0.0000   0.0000  537.886   72.219  ?   ?   206.665   14.078 0.000000 14.07767 
1 1 1   14    0    6 o  242.843   21.709  749.565  130.259  749.565  130.259   0.0000   0.0000  242.843   21.709  ?   ?  0.000000 21.70874 
1 1 1   14    0    7 o  275.166   15.754  953.884  107.800  907.808  155.035  997.013  149.995  266.945   23.497  280.261   21.599 -13.31653 31.91533 
1 1 1   14    0    8 o  213.870   14.334  576.585   76.113  559.670  111.677  591.258  104.011  209.410   21.669  215.726   19.519 -6.316010 29.16405 
1 1 1   14    0    9 o  341.943   17.039  1471.42  145.497  1654.42  208.867  1298.90  202.794  360.639   23.317  318.714   25.699 41.92535 34.70041 
1 1 1   14    0   10 o  423.479   16.579  2257.41  175.321  2190.20  215.220  2389.99  302.274  416.185   20.708  431.591   28.202 -15.40567 34.98803 
1 1 1   14    0   11 o  179.689   9.6659  405.534   43.213  350.783   62.026  457.175   60.239  166.329   15.098  190.429   12.741 -24.09993 19.75537 
1 1 1   14    0   12 o  268.783   10.684  905.703   71.711  869.448  102.349  940.664  100.507  262.277   15.699  273.024   14.797 -10.74640 21.57326 
1 1 1   14    0   13 f  339.485   12.262  1447.39  103.955  1470.92  147.961  1424.46  146.087  340.793   17.445  335.337   17.506 5.455902 24.71397 
1 1 1   14    0   14 o  121.822   9.3778  187.070   28.309  171.483   41.627  200.481   38.613  115.761   14.734  125.701   12.465 -9.939354 19.29961 
1 1 1   14    0   15 o   96.452   9.9755  117.904   23.680  115.896   35.872  119.454   31.524   94.599   15.738   96.517   13.444 -1.917686 20.69872 
1 1 1   14    0   16 f  325.062   11.810  1327.99   95.870  1289.32  136.551  1365.58  134.630  318.681   17.223  328.637   16.405 -9.955231 23.78537 
1 1 1   14    0   17 o  263.820   10.545  873.779   69.468  877.789   99.840  870.014   96.721  263.219   15.255  262.150   14.836 1.068939 21.27906 
1 1 1   14    0   18 o  283.037   10.816  1006.22   76.449  971.052  109.916  1039.17  106.399  276.636   15.979  286.492   14.924 -9.855927 21.86446 
1 1 1   14    0   19 o  283.743   15.597  1021.10  110.092  927.484  155.454  1115.30  155.933  267.741   23.488  294.636   21.338 -26.89545 31.73327 
1 1 1   14    0   20 o  120.844   12.871  185.997   38.244  151.008   53.144  223.579   55.077  107.041   20.630  131.714   17.152 -24.67381 26.82860 
1 1 1   14    0   21 o  268.038   10.985  903.093   73.530  809.660  105.459  991.485  102.574  252.120   16.847  279.727   14.736 -27.60756 22.38288 
1 1 1   14    0   22 o  148.091   9.6095  276.433   35.345  192.078   51.236  353.024   48.822  121.823   17.331  167.073   11.777 -45.25010 20.95376 
1 1 1   14    0   23 o  332.298   12.162  1391.08  100.924  1170.31  143.071  1609.75  142.388  302.288   19.050  356.307   16.003 -54.01889 24.87998 
1 1 1   14    0   24 o   95.615   11.388  116.681   26.656   81.910   36.372  157.028   39.180   78.582   18.789  110.487   14.555 -31.90462 23.76686 
1 1 1   14    0   25 o  193.320   9.5736  469.560   46.217  364.542   64.581  579.809   66.170  168.812   15.493  214.012   12.435 -45.19974 19.86584 
1 1 1   14    0   26 o   71.070   19.520   66.940   35.706   60.182   76.996   68.792   40.301   76.768   29.139   72.246   21.051 4.521904 35.94794 
1 1 1   14    0   27 o   57.869   21.449   34.910   41.195   81.998   77.732   16.520   48.577   82.677   29.641   54.735   22.383 27.94265 37.14301 
1 1 1   14    0   28 o  242.289   11.493  742.682   69.536  671.638   96.194  820.437  100.634  228.065   17.013  252.631   16.035 -24.56613 23.37836 
1 1 1   14    0   29 o  157.320   10.970  314.856   42.826  291.274   56.413  346.936   65.796  149.976   15.276  163.403   16.344 -13.42683 22.37130 
1 1 1   14    0   30 o   51.278   15.610   34.222   21.779   46.111   24.793  -5.9641   45.582   58.782   16.314   46.673   20.453 12.10948 26.16254 
1 1 1   14    0   31 o   88.204   13.711  102.254   29.219   94.890   34.955  119.331   53.231   83.774   17.283   92.088   23.168 -8.313919 28.90408 
1 1 1   14    0   32 f   90.804   16.569  111.177   36.187  110.950   37.692  113.863  129.375   90.424   17.323   92.412   36.981 -1.988457 40.83731 
1 1 1   14    0   33 o   63.277   15.735   54.617   24.759   66.343   27.938   11.722   53.436   69.625   16.348   53.643   22.812 15.98217 28.06514 
1 1 1   14    0   34 o   97.550   13.905  126.384   32.915  140.071   38.968   92.300   61.492  101.941   15.820   79.481   26.466 22.45959 30.83355 
1 1 1   14    0   35 o  102.015   14.018  138.799   34.767  144.714   40.710  122.859   66.830  103.066   16.364   89.194   27.380 13.87206 31.89734 
1 1 1   14    0   36 o   54.687   16.469   41.139   24.341   45.273   26.712   20.913   59.087   57.147   17.263   56.554   24.018 0.5928383 29.57788 
1 1 1   14    0   37 o   50.362   21.960   7.4072   51.967 -15.1885  110.125   13.880   58.942   63.032   29.246   54.223   23.517 8.808762 37.52844 
1 1 1   14    1    0 o  581.010   18.421  4238.44  267.262  4385.10  378.442  4092.52  377.491  589.428   25.711  569.220   26.557 20.20789 36.96373 
1 1 1   14    1    1 o  574.745   18.204  4147.31  261.277  4317.25  369.999  3978.29  369.005  584.898   25.332  561.229   26.329 23.66882 36.53698 
1 1 1   14    1    2 o  308.234   11.194  1188.81   86.165  1247.94  122.403  1130.73  121.317  315.494   15.536  299.819   16.264 15.67484 22.49245 
1 1 1   14    1    3 o  292.190   11.373  1068.42   82.981  1039.06  117.647  1097.49  117.062  287.323   16.465  295.391   15.929 -8.067871 22.90910 
1 1 1   14    1    4 o  158.326   9.4077  314.598   37.028  319.443   53.306  310.080   51.472  159.112   13.545  156.780   13.272 2.331863 18.96325 
1 1 1   14    1    5 o  413.152   14.017  2139.36  144.612  2214.55  205.099  2065.03  203.931  419.597   19.574  405.095   20.159 14.50208 28.09873 
1 1 1   14    1    6 f  357.609   12.761  1602.05  113.958  1623.04  161.503  1581.24  160.821  358.901   18.078  354.208   18.244 4.693329 25.68355 
1 1 1   14    1    7 f  340.707   12.114  1454.00  103.068  1427.72  146.036  1480.09  145.485  336.600   17.434  343.225   16.974 -6.625244 24.33214 
1 1 1   14    1    8 o  287.442   10.989  1034.53   78.878  996.245  111.959  1072.27  111.146  281.181   16.011  291.858   15.303 -10.67667 22.14839 
1 1 1   14    1    9 o  493.242   15.942  3057.19  196.365  2995.83  277.959  3118.32  277.446  486.626   22.874  496.615   22.372 -9.989594 31.99559 
1 1 1   14    1   10 f  430.544   16.884  2332.63  181.525  2363.78  316.400  2317.35  221.629  428.973   29.719  428.288   20.722 0.6848755 36.23069 
1 1 1   14    1   11 o  142.964   14.148  259.200   49.845  168.183   75.255  330.339   66.532  112.623   27.089  161.123   16.782 -48.50032 31.86616 
1 1 1   14    1   12 o  176.456   13.412  393.300   58.656  448.387   88.028  349.309   78.664  187.445   19.072  165.135   19.449 22.31033 27.23937 
1 1 1   14    1   13 o  394.768   15.802  1963.43  155.774  1930.31  191.258  2028.70  268.482  389.981   19.703  396.923   27.252 -6.942810 33.62852 
1 1 1   14    1   14 o   92.084   10.350  107.644   23.388   91.317   35.211  120.533   31.285   83.501   17.449   97.037   13.258 -13.53584 21.91398 
1 1 1   14    1   15 o  158.470   9.2613  315.762   36.490  333.194   53.527  300.626   49.877  162.212   13.332  154.066   13.088 8.145477 18.68257 
1 1 1   14    1   16 o  363.850   12.642  1664.89  114.870  1609.08  163.316  1719.52  161.599  355.813   18.444  368.549   17.559 -12.73642 25.46526 
1 1 1   14    1   17 o  202.901   9.5786  516.259   48.533  490.334   70.258  539.920   67.121  196.695   14.404  206.712   13.070 -10.01672 19.45016 
1 1 1   14    1   18 o  368.695   12.804  1710.99  117.889  1698.41  167.861  1723.23  165.602  365.321   18.460  368.576   17.992 -3.254517 25.77788 
1 1 1   14    1   19 o  331.957   12.075  1386.13  100.096  1287.97  142.691  1481.22  140.449  318.061   18.040  342.078   16.441 -24.01718 24.40802 
1 1 1   14    1   20 o  184.024   9.7862  426.149   44.810  376.745   65.708  469.101   61.267  171.957   15.467  192.586   12.813 -20.62830 20.08499 
1 1 1   14    1   21 o  240.965   14.254  735.424   85.391  630.203  120.017  843.297  121.519  220.764   22.066  256.699   19.094 -35.93571 29.17999 
1 1 1   14    1   22 o   89.478   14.297  103.537   30.870   61.119   41.847  154.180   45.725   69.285   21.732  108.923   17.396 -39.63734 27.83696 
1 1 1   14    1   23 o  117.588   10.290  175.004   29.911  124.408   43.063  222.171   41.578   97.351   18.388  132.175   12.755 -34.82427 22.37878 
1 1 1   14    1   24 o   62.018   14.458   50.555   21.978   75.080   30.129   22.661   32.131   75.508   16.444   49.604   18.825 25.90339 24.99600 
1 1 1   14    1   25 o   84.499   11.912   91.684   24.437   41.254   32.050  161.711   37.768   57.974   19.097  112.316   13.753 -54.34142 23.53405 
1 1 1   14    1   26 o   57.524   15.056   43.499   21.880   58.608   27.389   16.848   36.375   66.590   16.544   49.324   19.652 17.26538 25.68908 
1 1 1   14    1   27 o  258.392   10.533  840.839   67.965  688.893   95.022  999.992   97.250  231.892   16.517  280.908   13.864 -49.01555 21.56423 
1 1 1   14    1   28 o  263.801   16.527  893.370  108.321   0.0000   0.0000  893.370  108.321  ?   ?   263.801   16.527 0.000000 16.52663 
1 1 1   14    1   29 o   90.362   31.013  107.562   84.456  107.562   84.456   0.0000   0.0000   90.362   31.013  ?   ?  0.000000 31.01313 
1 1 1   14    1   30 o   83.694   13.191   91.360   26.657   86.932   32.097  101.203   47.856   80.738   16.478   85.866   22.167 -5.127495 27.62033 
1 1 1   14    1   31 o   36.873   13.787   13.440   17.093   4.0768   18.688   61.366   42.281   33.148   13.752   68.068   21.902 -34.92028 25.86139 
1 1 1   14    1   32 o  113.034   12.314  165.437   34.196  164.111   42.231  167.962   58.276  111.403   15.609  109.936   21.996 1.467125 26.97121 
1 1 1   14    1   33 o   75.976   15.250   77.739   27.927   95.270   32.875   32.291   52.933   83.946   16.270   59.328   23.685 24.61730 28.73498 
1 1 1   14    1   34 o   97.892   17.188  130.415   40.485  135.992   41.688   37.964  169.736   99.945   17.332   84.691   38.138 15.25344 41.89169 
1 1 1   14    1   35 o  131.449   12.110  225.091   39.304  209.167   47.265  260.782   70.763  125.072   15.462  135.933   21.566 -10.86072 26.53668 
1 1 1   14    1   36 o  132.223   12.636  229.552   41.214  227.095   49.494  235.108   74.432  129.907   15.567  125.939   24.549 3.967491 29.06890 
1 1 1   14    1   37 o   71.359   16.338   71.162   28.486   73.325   31.884   62.603   63.412   71.861   17.848   68.358   26.324 3.503014 31.80405 
1 1 1   14    1   38 o  133.215   13.605  238.008   44.625  220.326   52.769  282.401   83.610  125.569   17.287  134.294   25.870 -8.724564 31.11432 
1 1 1   14    2    0 o  920.039   27.975 10702.22  642.727 10871.47  909.250 10533.18  908.656  921.598   39.509  906.795   40.127 14.80304 56.31269 
1 1 1   14    2    1 o  252.774   10.421  799.193   65.779  810.031   93.559  788.599   92.502  253.824   14.825  250.429   14.858 3.395203 20.98914 
1 1 1   14    2    2 o  641.403   19.895  5170.42  318.659  5254.91  450.948  5086.15  450.357  644.560   28.016  633.999   28.446 10.56036 39.92596 
1 1 1   14    2    3 o  344.073   12.279  1481.96  105.503  1515.93  149.607  1448.35  148.803  347.561   17.237  339.238   17.626 8.323669 24.65364 
1 1 1   14    2    4 o  225.768   14.422  641.331   80.882   0.0000   0.0000  641.331   80.882  ?   ?   225.768   14.422 0.000000 14.42158 
1 1 1   14    2    5 o  152.908   12.647  294.779   47.856  294.779   47.856   0.0000   0.0000  152.908   12.647  ?   ?  0.000000 12.64661 
1 1 1   14    2    6 o  242.611   10.075  736.373   61.040  760.665   86.876  712.690   85.781  245.935   14.206  237.990   14.503 7.945236 20.30170 
1 1 1   14    2    7 o  252.622   10.260  798.556   64.728  807.496   92.061  789.817   91.025  253.334   14.614  250.536   14.613 2.797684 20.66664 
1 1 1   14    2    8 o  621.609   19.398  4864.64  301.106  4809.02  426.077  4920.13  425.580  615.404   27.725  622.604   27.373 -7.200012 38.96103 
1 1 1   14    2    9 o  404.597   13.829  2053.23  139.718  2010.49  197.949  2095.67  197.234  399.405   19.847  407.869   19.365 -8.463867 27.72872 
1 1 1   14    2   10 o  169.954   9.5084  362.614   40.193  345.912   57.654  378.406   56.061  165.431   14.090  173.222   13.056 -7.790451 19.20933 
1 1 1   14    2   11 o  137.449   9.3232  237.547   31.811  218.524   46.224  254.663   43.846  131.146   14.348  141.961   12.496 -10.81506 19.02683 
1 1 1   14    2   12 o  218.989   9.8497  600.574   53.864  580.017   77.202  620.072   75.187  214.352   14.508  221.799   13.641 -7.447067 19.91394 
1 1 1   14    2   13 o  131.833   11.130  219.451   36.298  207.567   69.688  223.876   42.522  125.935   23.007  132.902   12.978 -6.966911 26.41514 
1 1 1   14    2   14 o  307.049   16.800  1192.93  128.324  1140.63  184.275  1242.16  178.804  297.833   25.008  311.521   23.150 -13.68793 34.07844 
1 1 1   14    2   15 o  305.463   16.586  1181.28  126.044  1194.40  181.488  1169.05  175.184  304.885   24.032  301.825   23.426 3.060181 33.56111 
1 1 1   14    2   16 o  533.840   17.072  3603.03  227.589  3716.43  322.684  3490.79  321.040  538.932   23.977  521.967   24.630 16.96539 34.37342 
1 1 1   14    2   17 o  121.907   9.3335  187.371   28.198  177.247   41.923  195.736   38.105  117.707   14.574  124.158   12.458 -6.451050 19.17303 
1 1 1   14    2   18 o  212.487   9.7553  566.299   51.763  533.893   74.824  596.044   71.686  205.222   14.698  217.183   13.282 -11.96054 19.80971 
1 1 1   14    2   19 f  228.112   10.230  653.067   58.274  568.438   83.731  732.565   81.153  211.460   15.974  240.759   13.553 -29.29922 20.94916 
1 1 1   14    2   20 o  234.415   10.228  689.781   59.875  646.081   86.147  730.617   83.277  225.608   15.383  240.316   13.937 -14.70805 20.75729 
1 1 1   14    2   21 o  142.176   9.5781  254.742   33.808  280.764   50.643  233.823   45.408  148.591   13.806  135.528   13.600 13.06252 19.37986 
1 1 1   14    2   22 o  180.426   9.8426  409.783   44.179  301.757   64.011  508.049   61.050  153.372   16.999  200.540   12.250 -47.16777 20.95279 
1 1 1   14    2   23 o  212.503   13.183  571.431   69.609  431.005   96.355  724.719  100.671  182.263   21.590  238.420   17.021 -56.15703 27.49220 
1 1 1   14    2   24 o  415.892   19.008  2205.13  197.409  1807.44  276.622  2617.87  281.808  369.717   30.226  449.003   25.236 -79.28601 39.37588 
1 1 1   14    2   25 o  131.766   10.124  219.407   33.057  203.746   46.929  234.831   46.573  125.975   15.227  135.645   13.948 -9.670609 20.64938 
1 1 1   14    2   26 o   78.047   13.241   78.988   24.885   72.950   32.523   87.516   38.649   74.223   17.781   81.155   19.345 -6.931587 26.27490 
1 1 1   14    2   27 o  338.817   12.106  1448.43  102.429  1275.85  144.518  1622.62  145.197  315.339   18.433  357.113   16.282 -41.77414 24.59392 
1 1 1   14    2   28 o  144.164   10.351  263.065   37.018  220.251   49.297  318.421   56.054  130.717   15.397  157.755   14.387 -27.03848 21.07302 
1 1 1   14    2   29 o   99.576   12.691  127.612   30.839  118.788   36.190  151.010   58.931   95.253   15.766  105.509   23.015 -10.25596 27.89686 
1 1 1   14    2   30 o  148.732   17.209  288.652   62.735  230.164  103.495  322.625   78.878  126.210   32.606  155.888   20.780 -29.67862 38.66490 
1 1 1   14    2   31 o   73.303   14.192   71.035   25.040   71.724   28.618   68.783   51.721   73.222   16.090   72.630   24.274 0.5924301 29.12279 
1 1 1   14    2   32 o   66.707   14.870   59.565   24.139   53.597   28.265   75.644   46.396   63.048   17.389   74.383   22.810 -11.33540 28.68195 
1 1 1   14    2   33 o   86.219   13.461   97.867   28.035  111.122   33.205   64.960   52.318   91.440   15.067   70.318   24.394 21.12169 28.67147 
1 1 1   14    2   34 o  261.521   12.351  880.447   80.657  807.959  107.199  975.026  122.449  246.280   17.545  269.935   18.273 -23.65503 25.33254 
1 1 1   14    2   35 o  125.327   11.777  203.830   36.427  177.143   43.365  267.796   67.137  115.195   15.465  139.388   19.848 -24.19263 25.16224 
1 1 1   14    2   36 o   49.239   16.494   31.175   23.880   26.935   24.012  412.702  227.781   46.963   16.513  132.307   50.144 -85.34406 52.79250 
1 1 1   14    2   37 o   75.566   15.190   78.185   27.669   68.907   31.042  114.058   61.039   69.955   17.743   86.152   26.111 -16.19692 31.56877 
1 1 1   14    2   38 f   55.504   17.294   42.637   26.549   52.311   29.449   0.6371   61.361   60.825   18.070   52.575   23.354 8.250629 29.52867 
1 1 1   14    3    0 o  841.253   25.839  8930.75  542.827  9097.19  768.006  8764.61  767.342  844.669   36.411  828.768   37.077 15.90173 51.96573 
1 1 1   14    3    1 o  371.430   13.137  1727.34  121.852  1694.05  172.462  1760.52  172.187  366.813   18.892  374.482   18.413 -7.668335 26.38055 
1 1 1   14    3    2 o  518.019   16.858  3366.04  218.075  3346.97  308.599  3385.07  308.210  515.334   23.980  518.292   23.813 -2.958435 33.79546 
1 1 1   14    3    3 o  619.174   19.618  4817.52  303.332  4644.79  428.820  4990.50  429.132  605.876   28.343  628.305   27.351 -22.42859 39.38746 
1 1 1   14    3    4 o  480.181   15.802  2891.30  189.476  2782.27  267.776  3000.62  268.144  469.950   22.817  488.196   21.995 -18.24582 31.69254 
1 1 1   14    3    5 o  248.991   10.466  775.605   65.074  763.748   92.318  787.315   91.743  246.365   15.078  250.192   14.749 -3.826813 21.09260 
1 1 1   14    3    6 o  180.502   9.3929  408.574   42.192  413.585   60.243  403.750   59.109  181.203   13.409  179.036   13.316 2.167313 18.89749 
1 1 1   14    3    7 o  213.728   9.7494  571.428   52.035  603.559   74.250  540.418   72.943  219.039   13.642  207.151   14.186 11.88783 19.68155 
1 1 1   14    3    8 f  633.492   19.826  5052.33  313.635  5239.64  444.123  4865.99  442.974  642.625   27.675  618.931   28.661 23.69415 39.84169 
1 1 1   14    3    9 o  293.356   11.007  1077.46   80.631  1053.10  114.308  1101.59  113.752  289.162   15.891  295.832   15.452 -6.670044 22.16477 
1 1 1   14    3   10 o  242.418   10.001  735.555   60.544  732.524   86.356  738.486   84.906  241.178   14.404  242.204   14.099 -1.026001 20.15602 
1 1 1   14    3   11 o  351.162   12.522  1546.13  109.807  1507.23  155.735  1584.59  154.850  345.471   18.115  354.803   17.477 -9.332886 25.17167 
1 1 1   14    3   12 f  272.415   10.773  929.724   73.285  903.637  104.306  955.155  102.988  267.613   15.677  275.273   15.039 -7.659821 21.72386 
1 1 1   14    3   13 o  244.448   10.027  748.500   61.208  758.598   87.644  738.885   85.517  245.264   14.373  242.072   14.209 3.191589 20.21073 
1 1 1   14    3   14 o  223.700   9.7903  626.919   54.690  645.304   78.737  609.781   76.022  226.133   14.012  219.813   13.922 6.320633 19.75225 
1 1 1   14    3   15 f  159.628   9.1606  320.221   36.363  346.060   53.280  297.690   49.751  165.446   13.001  153.354   13.118 12.09164 18.46883 
1 1 1   14    3   16 o  102.231   11.690  132.911   29.307  186.391   61.612  117.272   33.318  119.327   21.466   95.462   14.426 23.86549 25.86303 
1 1 1   14    3   17 o  458.417   21.648  2677.90  247.815  2813.26  353.216  2546.68  347.775  464.309   30.636  440.942   31.797 23.36679 44.15453 
1 1 1   14    3   18 o  240.956   15.210  735.469   91.053  660.497  132.492  802.567  125.342  225.903   23.847  250.415   20.216 -24.51158 31.26304 
1 1 1   14    3   19 o  215.137   9.5960  580.449   51.553  563.148   74.602  596.264   71.323  210.881   14.250  217.229   13.211 -6.348511 19.43172 
1 1 1   14    3   20 o  249.349   10.572  780.625   65.828  691.608   94.390  864.920   91.852  233.268   16.306  261.532   14.116 -28.26390 21.56795 
1 1 1   14    3   21 o  273.540   10.911  939.956   74.533  917.453  106.825  961.301  104.040  268.857   15.983  275.444   15.184 -6.586365 22.04598 
1 1 1   14    3   22 o  187.052   9.5152  440.065   44.299  411.605   64.630  465.284   60.839  180.007   14.501  191.804   12.775 -11.79689 19.32561 
1 1 1   14    3   23 o  283.896   10.953  1012.87   77.650  974.091  111.722  1049.11  108.001  276.888   16.229  287.719   15.084 -10.83124 22.15641 
1 1 1   14    3   24 o  315.355   11.980  1251.73   94.346  1287.29  134.965  1217.75  131.936  318.065   17.055  309.298   17.149 8.766510 24.18573 
1 1 1   14    3   25 o  102.842   13.648  135.761   34.185  121.339   44.037  157.633   54.230   95.961   19.049  109.324   20.621 -13.36256 28.07245 
1 1 1   14    3   26 o  188.638   12.819  450.843   60.026  367.748   79.591  560.450   91.410  168.675   19.240  209.144   17.668 -40.46938 26.12141 
1 1 1   14    3   27 o   74.396   13.769   72.141   24.637   42.814   32.391  112.402   37.951   58.790   19.190   92.597   17.041 -33.80650 25.66415 
1 1 1   14    3   28 o  111.024   14.217  158.645   38.510  138.963   44.085  222.030   79.111  102.918   17.797  128.243   25.600 -25.32506 31.17872 
1 1 1   14    3   29 o  121.005   10.967  186.166   32.778  161.718   42.380  222.564   51.710  111.633   15.631  131.142   16.130 -19.50881 22.46149 
1 1 1   14    3   30 o  129.506   10.955  213.386   35.097  207.322   45.423  222.370   55.288  126.722   14.622  130.444   17.407 -3.721321 22.73401 
1 1 1   14    3   31 o  202.466   11.037  520.649   55.592  493.067   75.248  553.795   82.489  195.389   15.551  206.900   16.092 -11.51115 22.37832 
1 1 1   14    3   32 o   96.884   20.924  128.475   49.142   82.420   89.562  148.313   58.781   82.926   31.439  103.348   23.329 -20.42142 39.14946 
1 1 1   14    3   33 o   98.163   12.982  125.566   31.042  131.803   37.493  111.976   55.349   99.749   15.560   88.958   24.250 10.79115 28.81295 
1 1 1   14    3   34 o  177.503   12.258  406.223   54.002  429.466   70.194  372.515   84.530  180.742   15.708  165.066   20.981 15.67494 26.20990 
1 1 1   14    3   35 o   88.862   13.603  104.469   29.225  106.069   34.455  100.368   55.173   88.591   16.170   83.260   24.733 5.331505 29.55008 
1 1 1   14    3   36 o  119.441   12.828  186.754   37.661  176.259   45.373  210.002   67.527  114.397   16.348  120.964   23.199 -6.567039 28.38042 
1 1 1   14    3   37 o  106.135   17.217  154.336   44.069  149.690   44.686  319.333  266.275  104.179   17.817  114.902   49.910 -10.72293 52.99443 
1 1 1   14    3   38 o   61.312   17.986   52.732   29.332   52.732   29.332   0.0000   0.0000   61.312   17.986  ?   ?  0.000000 17.98625 
1 1 1   14    3   39 o   30.310   13.424  -4.4381   20.126  -3.3744   21.451 -12.2574   58.162   31.687   13.955   48.735   22.100 -17.04759 26.13721 
1 1 1   14    4    0 o  742.177   22.808  6935.11  422.709  7035.92  598.087  6834.50  597.515  744.502   32.170  733.600   32.617 10.90173 45.81196 
1 1 1   14    4    1 o  439.445   14.517  2419.35  159.305  2473.54  225.621  2365.48  224.964  443.614   20.367  433.758   20.769 9.856140 29.08877 
1 1 1   14    4    2 o  702.044   21.632  6200.61  379.239  6230.54  536.569  6170.73  536.080  701.081   30.648  697.665   30.770 3.415283 43.42963 
1 1 1   14    4    3 o  771.777   33.525  7575.27  646.126   0.0000   0.0000  7575.27  646.126  ?   ?   771.777   33.525 0.000000 33.52546 
1 1 1   14    4    4 o  386.066   15.474  1868.55  149.178  1867.09  182.857  1871.45  257.955  385.520   18.994  383.848   27.085 1.672241 33.08125 
1 1 1   14    4    5 o  265.185   10.154  879.641   67.242  916.820   95.533  843.137   94.662  270.127   14.212  258.956   14.699 11.17148 20.44636 
1 1 1   14    4    6 o  600.113   18.762  4525.64  281.159  4632.14  398.012  4419.55  397.228  605.254   26.333  591.037   26.914 14.21722 37.65371 
1 1 1   14    4    7 o  106.870   9.7361  144.042   25.698  154.114   37.025  134.681   35.696  110.048   13.775  102.678   14.311 7.369904 19.86307 
1 1 1   14    4    8 o  207.805   9.5361  540.180   49.485  585.675   70.747  496.598   69.243  215.797   13.192  198.539   14.057 17.25839 19.27763 
1 1 1   14    4    9 o  338.736   12.176  1437.30  102.996  1443.72  146.033  1430.94  145.288  338.496   17.334  336.993   17.323 1.502625 24.50657 
1 1 1   14    4   10 o  134.824   9.1574  228.455   30.648  238.884   44.177  218.778   42.555  137.436   13.028  131.456   13.139 5.979767 18.50298 
1 1 1   14    4   11 o  330.326   11.981  1367.39   98.831  1348.62  140.361  1385.84  139.182  326.967   17.252  331.535   16.867 -4.568390 24.12716 
1 1 1   14    4   12 o  252.015   10.538  795.448   66.321  768.838   94.384  821.402   93.212  246.865   15.387  255.309   14.682 -8.443817 21.26793 
1 1 1   14    4   13 o  150.568   9.3281  284.899   34.901  264.182   50.536  303.789   48.257  144.331   14.205  155.107   12.567 -10.77586 18.96619 
1 1 1   14    4   14 o  249.752   10.245  781.561   63.896  786.700   91.545  776.679   89.225  249.678   14.748  248.127   14.463 1.550262 20.65616 
1 1 1   14    4   15 o  266.498   10.809  890.553   71.931  869.407  102.551  911.031  100.921  262.235   15.733  268.586   15.108 -6.351868 21.81248 
1 1 1   14    4   16 o  124.503   9.3134  195.284   28.746  184.941   42.653  203.892   38.911  120.361   14.482  126.801   12.449 -6.439911 19.09702 
1 1 1   14    4   17 o  266.013   10.763  887.881   71.499  836.179  102.222  937.404  100.044  256.909   16.013  272.356   14.765 -15.44608 21.78134 
1 1 1   14    4   18 f   74.378   11.215   70.991   20.184   73.132   31.174   69.445   26.484   74.588   17.102   72.898   15.047 1.689095 22.77915 
1 1 1   14    4   19 o  199.036   14.250  501.803   70.360  481.990  104.681  518.130   95.026  193.114   22.105  201.130   19.151 -8.015411 29.24731 
1 1 1   14    4   20 o   67.222   18.220   59.225   31.350   88.330   56.968   46.582   37.547   82.595   25.266   62.044   20.681 20.55073 32.65137 
1 1 1   14    4   21 o  216.711   9.8771  589.253   53.452  542.732   77.148  632.202   74.127  206.790   15.043  223.636   13.334 -16.84584 20.10182 
1 1 1   14    4   22 o  298.431   11.386  1119.43   84.851  991.613  121.066  1242.83  118.958  279.111   17.458  313.640   15.188 -34.52948 23.13983 
1 1 1   14    4   23 o  251.798   10.351  796.115   65.083  679.061   93.530  906.000   90.621  231.038   16.316  267.733   13.599 -36.69522 21.24027 
1 1 1   14    4   24 o  348.402   12.271  1528.04  106.757  1527.96  152.587  1528.11  149.419  346.445   17.696  347.035   17.242 -0.5905151 24.70706 
1 1 1   14    4   25 f  181.400   9.3746  413.996   42.321  348.012   61.426  473.618   58.390  165.233   15.052  193.582   12.140 -28.34848 19.33775 
1 1 1   14    4   26 o  200.061   9.6587  502.523   48.254  410.204   69.178  590.004   67.341  179.309   15.605  216.015   12.538 -36.70616 20.01793 
1 1 1   14    4   27 o  313.633   24.851  1283.33  193.043   0.0000   0.0000  1283.33  193.043  ?   ?   313.633   24.851 0.000000 24.85150 
1 1 1   14    4   28 o  343.018   25.372  1542.09  215.787  1542.09  215.787   0.0000   0.0000  343.018   25.372  ?   ?  0.000000 25.37174 
1 1 1   14    4   29 o  175.288   10.459  388.277   45.572  350.915   62.568  430.495   66.510  165.460   15.317  183.594   14.629 -18.13370 21.18006 
1 1 1   14    4   30 o  168.174   11.051  358.556   46.150  330.828   62.726  391.280   68.142  160.208   15.888  174.375   15.821 -14.16719 22.42193 
1 1 1   14    4   31 o  207.937   11.057  548.420   57.206  585.035   78.592  507.160   83.427  213.479   14.835  197.816   17.055 15.66354 22.60417 
1 1 1   14    4   32 o  160.710   10.581  328.388   42.228  322.114   55.064  337.346   65.798  158.069   14.098  160.826   16.623 -2.757507 21.79641 
1 1 1   14    4   33 o   96.337   12.196  120.182   28.683  110.300   34.769  141.235   50.749   91.127   15.855  101.585   20.708 -10.45828 26.08042 
1 1 1   14    4   34 o   99.437   21.390  137.418   51.538   64.592   95.843  167.042   61.128   78.619   31.699  109.035   23.165 -30.41608 39.26157 
1 1 1   14    4   35 o   98.797   12.194  127.125   29.446   97.598   34.736  202.540   55.513   84.734   17.007  122.086   18.813 -37.35248 25.36082 
1 1 1   14    4   36 o   46.456   15.146   27.643   20.180   19.574   22.229   65.457   48.121   42.597   15.763   69.258   23.413 -26.66162 28.22456 
1 1 1   14    4   37 o   66.310   15.567   60.203   25.337   57.195   28.753   70.649   53.589   64.259   17.463   71.310   24.691 -7.051285 30.24207 
1 1 1   14    4   38 o   73.990   16.116   75.556   28.935   75.573   32.840   75.498   61.174   73.290   18.060   72.986   26.282 0.3032761 31.88912 
1 1 1   14    4   39 o   82.410   18.972   97.206   38.235   97.206   38.235   0.0000   0.0000   82.410   18.972  ?   ?  0.000000 18.97190 
1 1 1   14    5    0 o  405.307   19.761  2064.22  200.005  2050.80  282.922  2077.63  282.777  401.671   28.389  404.355   28.181 -2.683777 40.00133 
1 1 1   14    5    1 o  150.252   8.9958  283.259   33.598  279.330   47.973  287.040   47.069  148.799   13.042  150.904   12.606 -2.104355 18.13862 
1 1 1   14    5    2 o  493.306   23.027  3064.82  283.668   0.0000   0.0000  3064.82  283.668  ?   ?   493.306   23.027 0.000000 23.02731 
1 1 1   14    5    3 o  352.568   17.971  1564.35  157.696  1564.35  157.696   0.0000   0.0000  352.568   17.971  ?   ?  0.000000 17.97090 
1 1 1   14    5    4 o  619.286   19.430  4819.17  300.487  4764.77  425.051  4873.53  424.855  613.761   27.733  620.820   27.405 -7.059204 38.98861 
1 1 1   14    5    5 o  354.098   12.583  1569.88  111.262  1538.06  157.476  1601.60  157.221  349.516   18.105  357.184   17.627 -7.668518 25.26798 
1 1 1   14    5    6 o  320.358   11.501  1284.50   92.009  1339.29  130.553  1230.43  129.690  326.754   16.000  312.693   16.669 14.06082 23.10522 
1 1 1   14    5    7 o  281.162   11.224  989.402   78.802  899.219  111.477  1079.47  111.409  267.128   16.797  292.990   15.280 -25.86166 22.70728 
1 1 1   14    5    8 o  260.772   10.661  851.000   69.423  862.857   98.499  839.296   97.861  261.849   15.128  258.222   15.244 3.627838 21.47636 
1 1 1   14    5    9 o  404.242   13.705  2048.51  138.350  2088.39  196.087  2008.98  195.227  407.364   19.276  399.496   19.569 7.868011 27.46859 
1 1 1   14    5   10 o  451.427   14.791  2557.20  166.737  2556.82  236.202  2557.58  235.402  450.255   21.008  450.338   20.932 -0.8291626E-01 29.65613 
1 1 1   14    5   11 o  383.878   13.132  1847.80  125.886  1835.68  178.404  1859.81  177.658  381.784   18.713  384.320   18.511 -2.536041 26.32188 
1 1 1   14    5   12 o  311.880   11.303  1218.66   88.033  1252.05  125.105  1185.91  123.898  315.196   15.946  306.684   16.236 8.511719 22.75701 
1 1 1   14    5   13 o  366.799   12.920  1688.11  118.340  1652.07  167.840  1723.73  166.879  361.441   18.659  369.788   18.072 -8.346497 25.97593 
1 1 1   14    5   14 o  125.366   9.1756  197.815   28.526  192.889   41.897  202.071   38.947  123.148   13.865  126.288   12.515 -3.140160 18.67783 
1 1 1   14    5   15 o  127.474   9.2286  204.555   29.178  214.897   42.888  195.643   39.813  130.107   13.391  124.135   13.038 5.971924 18.69020 
1 1 1   14    5   16 o  372.019   13.010  1739.20  120.865  1744.27  171.777  1734.24  170.092  371.337   18.524  370.302   18.394 1.035614 26.10549 
1 1 1   14    5   17 o  222.397   9.9393  620.065   55.200  599.860   79.429  638.940   76.767  217.741   14.694  224.935   13.733 -7.193497 20.11205 
1 1 1   14    5   18 o  232.413   10.107  677.442   58.662  651.745   84.168  701.714   81.802  226.891   14.939  235.664   13.962 -8.772720 20.44795 
1 1 1   14    5   19 o  121.347   9.3363  185.666   28.074  191.328   42.259  181.193   37.561  122.453   14.076  119.351   12.803 3.102020 19.02717 
1 1 1   14    5   20 o  214.990   9.7414  579.707   52.299  541.323   75.648  614.850   72.384  206.644   14.757  220.614   13.199 -13.97018 19.79864 
1 1 1   14    5   21 o  251.037   12.113  792.518   75.933  791.951  138.892  792.759   90.685  247.781   22.699  250.266   14.574 -2.485138 26.97496 
1 1 1   14    5   22 o  331.288   17.839  1396.18  147.038  1327.39  211.599  1460.41  204.471  319.326   26.783  336.124   24.530 -16.79813 36.31849 
1 1 1   14    5   23 o  222.927   11.993  626.885   66.519  598.750   82.419  679.456  112.660  217.156   15.296  230.159   19.794 -13.00336 25.01582 
1 1 1   14    5   24 o  344.819   12.440  1496.80  107.117  1424.20  152.602  1567.31  150.395  334.277   18.351  351.564   17.131 -17.28668 25.10456 
1 1 1   14    5   25 o  119.957   9.9519  181.871   29.542  167.536   43.212  194.451   40.479  114.064   15.578  123.492   13.338 -9.428429 20.50806 
1 1 1   14    5   26 o  303.920   11.334  1161.84   86.022  1066.66  123.258  1252.22  120.111  289.360   17.134  314.572   15.290 -25.21198 22.96450 
1 1 1   14    5   27 o  208.545   10.236  546.490   53.305  583.292   76.735  512.168   74.103  214.320   14.422  200.652   14.895 13.66779 20.73296 
1 1 1   14    5   28 o  258.541   11.317  841.633   73.067  846.756  104.008  836.642  102.668  257.705   16.245  256.192   16.130 1.512665 22.89308 
1 1 1   14    5   29 o  203.715   14.768  529.044   74.615  576.205   97.806  463.377  115.410  211.364   18.724  186.829   25.395 24.53467 31.55171 
1 1 1   14    5   30 o  228.147   14.726  664.326   83.452  637.290  107.477  705.372  132.429  221.584   19.627  231.502   23.220 -9.918198 30.40380 
1 1 1   14    5   31 f   75.520   13.070   74.374   23.756   62.433   28.468  101.764   43.114   68.447   16.784   86.902   20.244 -18.45534 26.29627 
1 1 1   14    5   32 o  204.943   11.247  533.612   57.341  531.367   78.034  536.247   84.541  202.950   15.515  203.327   16.801 -0.3772736 22.86872 
1 1 1   14    5   33 o   93.367   12.319  112.875   28.022   96.428   33.791  149.090   50.143   85.000   16.515  105.010   19.849 -20.00984 25.82089 
1 1 1   14    5   34 o   39.768   14.408   17.237   18.425   26.673   20.474 -22.9562   42.255   46.233   15.265   40.852   18.645 5.380173 24.09729 
1 1 1   14    5   35 o   42.485   14.639   21.632   18.826   13.413   20.843   58.031   43.864   38.908   15.061   66.320   22.354 -27.41221 26.95409 
1 1 1   14    5   36 o   54.851   21.564   28.659   43.258 -85.1985   94.415   58.910   48.667   53.986   25.670   67.055   23.512 -13.06894 34.81064 
1 1 1   14    5   37 o   46.958   15.384   28.269   20.808   24.790   23.001   43.950   48.829   45.631   16.149   61.397   23.229 -15.76593 28.29101 
1 1 1   14    5   38 o   85.822   15.174   99.634   31.331   94.154   36.308  115.617   62.004   82.126   18.184   87.503   26.271 -5.377388 31.95007 
1 1 1   14    5   39 o  113.561   14.195  172.337   39.374  189.725   47.146  132.248   71.588  117.961   16.453   91.280   28.390 26.68079 32.81345 
1 1 1   14    5   40 o   76.669   16.780   82.604   31.235   99.780   36.096   31.404   62.320   83.939   17.774   59.555   24.944 24.38373 30.62822 
1 1 1   14    6    0 o  304.722   11.554  1162.01   87.923  1053.85  124.164  1270.79  124.522  289.285   17.266  318.367   15.663 -29.08170 23.31201 
1 1 1   14    6    1 o  378.862   12.629  1796.98  119.484  1861.30  169.244  1733.06  168.709  385.100   17.599  371.533   18.184 13.56766 25.30581 
1 1 1   14    6    2 f  449.547   13.623  2531.15  152.933  2607.43  216.549  2455.25  216.013  455.599   19.034  442.028   19.569 13.57095 27.29917 
1 1 1   14    6    3 o  642.458   20.280  5189.35  325.358  5179.29  460.221  5199.40  460.031  639.595   28.814  640.856   28.746 -1.261230 40.70135 
1 1 1   14    6    4 f  745.157   22.998  6995.83  427.952  6904.24  605.176  7087.44  605.256  736.808   32.891  746.697   32.460 -9.888550 46.21088 
1 1 1   14    6    5 o  517.191   16.670  3356.13  215.297  3283.63  304.490  3428.62  304.462  510.268   23.896  521.523   23.378 -11.25534 33.42981 
1 1 1   14    6    6 o  264.126   10.481  872.792   69.132  872.130   98.146  873.443   97.394  263.330   14.987  263.545   14.859 -0.2151184 21.10496 
1 1 1   14    6    7 o  394.094   13.475  1945.86  132.611  1957.21  187.792  1934.57  187.290  394.565   19.059  392.268   19.120 2.296997 26.99663 
1 1 1   14    6    8 o  563.677   18.098  3993.02  254.747  3986.83  360.403  3999.21  360.132  561.392   25.708  562.280   25.648 -0.8884277 36.31453 
1 1 1   14    6    9 o  466.711   15.503  2733.45  180.676  2676.73  255.644  2790.05  255.386  460.620   22.225  470.374   21.742 -9.753479 31.09137 
1 1 1   14    6   10 o  261.900   10.278  858.467   67.219  897.009   95.692  820.923   94.444  267.026   14.404  255.351   14.876 11.67583 20.70636 
1 1 1   14    6   11 o  278.787   10.814  973.180   75.288  965.051  106.984  981.156  105.971  276.776   15.542  279.127   15.261 -2.351868 21.78176 
1 1 1   14    6   12 o  303.645   11.449  1155.15   86.816  1135.49  123.228  1174.53  122.331  300.052   16.510  305.255   16.105 -5.202606 23.06382 
1 1 1   14    6   13 o  120.915   9.3512  184.093   28.016  184.808   40.769  183.453   38.564  120.561   13.790  120.225   13.055 0.3368607 18.98926 
1 1 1   14    6   14 o  368.516   12.963  1704.53  119.297  1692.02  169.213  1716.89  168.213  365.699   18.591  368.904   18.260 -3.205200 26.05817 
1 1 1   14    6   15 o  176.572   9.1955  391.456   40.406  387.996   58.497  394.613   55.878  175.231   13.471  176.838   12.739 -1.606552 18.54065 
1 1 1   14    6   16 o  163.003   9.2823  333.881   37.627  321.130   54.724  345.315   51.821  159.210   13.904  165.337   12.647 -6.127716 18.79536 
1 1 1   14    6   17 o  352.244   12.296  1558.56  108.156  1662.64  154.253  1457.92  151.690  362.817   17.025  339.068   17.979 23.74966 24.76120 
1 1 1   14    6   18 o  622.310   19.699  4915.27  306.120  5005.52  433.712  4825.68  432.131  622.941   27.881  611.347   28.306 11.59387 39.73104 
1 1 1   14    6   19 o  143.575   9.2070  259.406   32.836  243.281   48.573  272.976   44.560  138.243   14.276  146.867   12.262 -8.623779 18.81906 
1 1 1   14    6   20 o  119.473   9.1687  179.957   27.146  205.027   40.853  160.137   36.324  126.984   13.070  112.033   13.240 14.95110 18.60403 
1 1 1   14    6   21 o  395.818   13.573  1973.53  134.157  1971.02  190.900  1975.97  188.575  393.762   19.414  394.351   19.149 -0.5894470 27.26918 
1 1 1   14    6   22 o  209.477   9.8715  550.536   51.638  498.137   75.080  597.569   71.133  198.022   15.302  217.447   13.162 -19.42529 20.18377 
1 1 1   14    6   23 o  317.901   11.857  1270.86   94.128  1085.34  134.114  1450.97  132.142  291.745   18.504  338.799   15.619 -47.05438 24.21482 
1 1 1   14    6   24 o  149.408   14.717  284.491   54.197  252.567   86.710  304.960   69.430  137.716   26.170  153.887   18.434 -16.17134 32.01100 
1 1 1   14    6   25 o  239.679   12.189  724.819   72.711  725.123   90.294  724.257  122.632  239.040   15.206  237.213   20.916 1.827255 25.85914 
1 1 1   14    6   26 o  352.029   18.103  1579.64  158.606   0.0000   0.0000  1579.64  158.606  ?   ?   352.029   18.103 0.000000 18.10349 
1 1 1   14    6   27 o   91.012   15.824  107.846   34.657  107.846   34.657   0.0000   0.0000   91.012   15.824  ?   ?  0.000000 15.82359 
1 1 1   14    6   28 o  235.537   10.758  697.726   63.279  728.412   90.706  668.632   88.322  239.326   15.257  229.180   15.524 10.14610 21.76637 
1 1 1   14    6   29 f  186.015   10.310  436.505   47.705  421.582   67.497  451.400   67.435  181.755   15.005  188.257   14.455 -6.501678 20.83505 
1 1 1   14    6   30 o  244.031   10.965  750.525   66.818  704.172   94.123  797.619   94.872  234.579   16.167  250.044   15.267 -15.46498 22.23607 
1 1 1   14    6   31 o   87.851   15.345  101.104   32.438   98.037   35.222  118.235   83.254   86.082   16.988   94.013   30.770 -7.931107 35.14841 
1 1 1   14    6   32 o  224.434   15.693  648.279   87.400  668.712  110.048  613.376  143.830  226.058   19.691  211.702   27.885 14.35577 34.13686 
1 1 1   14    6   33 o  163.652   11.112  341.047   45.143  326.682   59.553  360.451   69.216  158.812   15.202  166.196   16.913 -7.384613 22.74136 
1 1 1   14    6   34 f   78.251   13.627   80.621   25.661   81.069   30.644   79.571   46.945   77.736   16.307   76.199   22.855 1.537338 28.07601 
1 1 1   14    6   35 o   35.131   13.378   11.457   16.263   9.9821   17.647   19.775   41.906   35.213   13.795   51.805   20.935 -16.59243 25.07133 
1 1 1   14    6   36 o   71.936   14.349   69.290   24.872   74.966   28.897   53.064   48.856   74.384   16.030   65.140   23.484 9.243637 28.43285 
1 1 1   14    6   37 o   72.022   23.025   72.391   46.785   54.221  104.801   76.914   52.284   76.749   32.256   74.133   24.390 2.616386 40.43906 
1 1 1   14    6   38 o   63.342   22.994   51.107   46.956  -8.7500  105.828   65.780   52.396   66.075   29.901   69.533   24.395 -3.457634 38.59037 
1 1 1   14    6   39 o  108.371   13.824  156.073   36.558  164.929   43.564  134.989   67.220  110.194   16.325   93.487   27.172 16.70742 31.69912 
1 1 1   14    6   40 o   51.707   17.044   35.654   25.526   44.285   28.796   3.9903   55.154   56.736   18.056   51.330   22.496 5.406738 28.84596 
1 1 1   14    7    0 o  334.342   12.329  1399.49  102.937  1356.02  145.508  1443.03  145.643  328.155   17.823  338.633   17.281 -10.47806 24.82516 
1 1 1   14    7    1 o  512.879   23.870  3316.97  305.711   0.0000   0.0000  3316.97  305.711  ?   ?   512.879   23.870 0.000000 23.86959 
1 1 1   14    7    2 o  308.148   16.492  1194.54  126.450  1194.54  126.450   0.0000   0.0000  308.148   16.492  ?   ?  0.000000 16.49247 
1 1 1   14    7    3 o  559.820   17.789  3934.59  248.683  3832.00  351.595  4037.29  351.786  550.872   25.559  565.595   24.907 -14.72284 35.68779 
1 1 1   14    7    4 o  461.448   15.340  2669.68  176.761  2662.15  250.017  2677.22  249.940  459.835   21.773  461.147   21.704 -1.311920 30.74303 
1 1 1   14    7    5 o  239.971   10.390  720.411   62.262  700.420   88.239  740.232   87.865  235.894   15.058  242.592   14.572 -6.697708 20.95415 
1 1 1   14    7    6 o  1007.07   30.877 12885.95  776.505 12926.59  1098.32 12845.33  1097.96  999.789   43.992  996.541   44.121 3.248474 62.30499 
1 1 1   14    7    7 o  763.877   23.692  7363.93  451.938  7260.22  639.104  7467.67  639.170  754.277   33.930  765.209   33.449 -10.93250 47.64582 
1 1 1   14    7    8 o  154.219   9.4157  298.589   36.087  282.315   51.418  314.387   50.660  149.436   13.940  157.888   12.963 -8.452118 19.03584 
1 1 1   14    7    9 o  240.607   10.243  724.429   61.542  712.015   87.316  736.685   86.753  237.800   14.777  241.946   14.424 -4.146057 20.64993 
1 1 1   14    7   10 o  312.560   11.552  1223.45   90.162  1228.66  127.834  1218.29  127.185  312.322   16.449  311.000   16.435 1.321564 23.25218 
1 1 1   14    7   11 o  351.338   12.319  1546.85  108.085  1569.57  153.414  1524.46  152.301  353.273   17.390  347.694   17.598 5.579193 24.74111 
1 1 1   14    7   12 o  444.650   14.831  2482.68  164.682  2486.58  233.366  2478.80  232.427  443.727   21.061  443.045   21.008 0.6817017 29.74711 
1 1 1   14    7   13 o  317.166   11.859  1260.96   93.924  1175.31  133.143  1345.80  132.518  305.002   17.555  327.103   16.223 -22.10147 23.90344 
1 1 1   14    7   14 o  609.376   19.104  4688.22  290.707  4748.20  411.551  4628.48  410.693  609.906   27.022  602.023   27.318 7.882751 38.42466 
1 1 1   14    7   15 o  219.120   9.8670  601.439   53.991  597.151   77.236  605.536   75.502  217.491   14.301  219.089   13.872 -1.598343 19.92332 
1 1 1   14    7   16 o   69.446   11.764   62.173   19.673   67.141   29.903   58.382   26.122   71.542   16.991   66.753   15.898 4.789032 23.26867 
1 1 1   14    7   17 o  132.025   9.0811  219.364   29.758  195.002   43.761  240.319   40.585  123.648   14.445  137.848   11.907 -14.19958 18.71980 
1 1 1   14    7   18 o  495.842   16.084  3102.92  199.153  3216.04  282.563  2991.27  280.735  502.225   22.530  484.042   23.225 18.18286 32.35786 
1 1 1   14    7   19 o  118.926   9.2919  178.333   27.376  167.013   41.006  187.436   36.771  114.196   14.722  121.512   12.287 -7.315979 19.17587 
1 1 1   14    7   20 o  138.943   9.0431  242.959   31.206  256.475   46.712  232.065   41.936  142.139   13.315  135.275   12.557 6.862976 18.30271 
1 1 1   14    7   21 o  162.058   9.2237  330.290   37.173  326.868   54.907  333.187   50.509  160.494   13.835  162.274   12.562 -1.780197 18.68732 
1 1 1   14    7   22 o  161.492   9.2288  328.038   37.063  315.247   55.020  338.663   50.148  157.514   14.139  163.626   12.364 -6.112442 18.78221 
1 1 1   14    7   23 o  236.298   10.014  700.677   59.090  640.058   85.511  756.079   81.748  224.586   15.339  244.615   13.434 -20.02823 20.39007 
1 1 1   14    7   24 o  258.365   10.590  838.256   68.325  840.041   98.593  836.606   94.773  257.375   15.411  256.992   14.831 0.3830872 21.38805 
1 1 1   14    7   25 o   88.080   10.892   98.928   23.446   88.369   35.317  107.249   31.352   81.915   17.776   91.141   14.241 -9.225731 22.77699 
1 1 1   14    7   26 o  126.766   15.790  206.381   48.903  211.350   85.215  203.942   59.714  125.165   27.968  125.042   19.782 0.1225204 34.25672 
1 1 1   14    7   27 o  231.176   15.366  679.144   88.201  696.086  133.992  666.191  117.164  231.402   23.515  227.285   20.876 4.117767 31.44449 
1 1 1   14    7   28 o  272.371   11.640  933.882   79.169  963.554  112.972  905.247  110.979  275.061   16.524  266.504   16.761 8.557648 23.53661 
1 1 1   14    7   29 o  105.785   11.148  142.385   29.007  156.010   39.765  126.891   42.406  110.036   14.851   98.332   17.930 11.70346 23.28157 
1 1 1   14    7   30 f  133.307   10.448  225.003   34.503  233.845   47.131  214.792   50.647  135.151   14.176  129.004   16.070 6.147308 21.42921 
1 1 1   14    7   31 o  129.466   11.031  212.922   35.324  223.923   47.388  199.166   52.992  131.964   14.626  123.525   17.684 8.439423 22.94870 
1 1 1   14    7   32 o  226.319   10.756  646.854   60.788  614.631   84.474  681.460   87.543  218.749   15.566  230.494   15.296 -11.74557 21.82352 
1 1 1   14    7   33 o  136.947   15.859  243.896   53.232  279.234   60.199  117.199  113.986  146.315   16.779   95.916   35.654 50.39845 39.40525 
1 1 1   14    7   34 o  150.995   16.203  297.820   60.139  334.960   67.843  161.585  129.935  159.756   17.281  105.956   38.282 53.79967 42.00201 
1 1 1   14    7   35 o   68.072   14.511   61.896   23.913   69.025   28.002   42.691   45.960   71.584   16.060   61.225   22.663 10.35847 27.77676 
1 1 1   14    7   36 o  102.509   11.981  136.272   30.092  107.003   35.975  204.451   54.907   89.067   16.791  123.147   18.421 -34.08021 24.92482 
1 1 1   14    7   37 o  122.679   12.628  195.739   38.133  171.152   46.976  243.242   65.295  112.717   17.237  133.059   20.293 -20.34244 26.62590 
1 1 1   14    7   38 o  181.186   12.776  426.488   57.436  424.922   71.150  429.417   97.315  178.838   16.105  174.710   22.853 4.128586 27.95767 
1 1 1   14    7   39 o   71.803   23.751   73.140   49.556  244.615  117.726   36.212   54.632  118.772   36.320   60.140   24.044 58.63164 43.55714 
1 1 1   14    7   40 o   59.756   23.271   40.776   49.994 -47.5597  119.454   59.534   55.047   63.376   29.749   66.842   24.791 -3.466080 38.72432 
1 1 1   14    7   41 o   81.355   16.377   92.211   32.120   95.839   37.772   82.734   61.046   81.712   18.889   74.156   26.302 7.556625 32.38174 
1 1 1   14    8    0 o   79.985   10.790   81.497   21.001  105.092   30.907   61.259   28.624   90.506   14.138   68.513   16.848 21.99277 21.99352 
1 1 1   14    8    1 o  426.467   15.577  2280.98  165.893  2026.78  201.405  2817.30  292.550  400.904   20.182  471.695   24.925 -70.79129 32.07143 
1 1 1   14    8    2 o  352.230   11.577  1552.84  101.830  1546.94  143.949  1558.76  144.069  351.129   16.417  352.473   16.368 -1.343323 23.18247 
1 1 1   14    8    3 o  181.026   9.4989  410.962   42.790  394.594   60.344  427.517   60.687  176.939   13.765  184.273   13.277 -7.333191 19.12509 
1 1 1   14    8    4 o  296.139   11.532  1097.65   85.281  1062.34  120.514  1133.07  120.696  290.480   16.684  300.098   16.165 -9.618164 23.23081 
1 1 1   14    8    5 o  536.727   17.198  3616.63  230.500  3625.96  326.052  3607.31  325.900  535.949   24.362  534.557   24.414 1.391846 34.48988 
1 1 1   14    8    6 o  464.122   15.497  2701.83  179.613  2708.00  254.169  2695.68  253.855  463.594   21.955  462.535   21.978 1.059662 31.06543 
1 1 1   14    8    7 o  663.463   20.653  5542.02  342.172  5363.25  483.770  5721.00  484.037  649.762   29.815  671.442   28.868 -21.68073 41.50066 
1 1 1   14    8    8 o  440.638   14.842  2435.17  163.320  2373.54  231.036  2496.72  230.902  433.997   21.318  445.220   20.768 -11.22314 29.76192 
1 1 1   14    8    9 o  405.330   19.543  2068.08  197.807  2016.15  278.361  2121.06  281.142  397.518   28.225  407.915   27.765 -10.39703 39.59222 
1 1 1   14    8   10 o  543.778   24.729  3743.05  335.794  3592.12  473.594  3895.64  476.185  527.497   36.172  550.061   34.847 -22.56427 50.22634 
1 1 1   14    8   11 o  572.201   26.081  4155.04  372.665  4204.10  526.208  4105.67  527.852  569.760   37.188  562.701   37.784 7.059143 53.01509 
1 1 1   14    8   12 o  434.649   20.749  2385.08  225.211  2404.39  317.573  2365.53  319.428  433.032   29.544  429.335   29.982 3.696930 42.09264 
1 1 1   14    8   13 o  256.416   14.883  828.732   94.887  829.961  132.714  827.446  135.716  255.428   20.992  254.918   21.521 0.5097656 30.06361 
1 1 1   14    8   14 o  303.696   16.055  1163.75  121.323  1076.92  169.842  1254.23  173.365  290.325   23.632  313.838   22.266 -23.51257 32.46859 
1 1 1   14    8   15 o  430.844   20.666  2350.34  222.346  2387.31  313.636  2312.99  315.259  430.277   29.365  423.193   30.027 7.084320 41.99881 
1 1 1   14    8   16 o  387.037   19.052  1894.61  184.139  1932.89  259.751  1855.93  261.079  387.569   27.007  379.430   27.747 8.139832 38.72038 
1 1 1   14    8   17 o  191.874   13.212  464.918   62.917  424.243   87.684  508.085   90.330  181.982   19.604  199.629   18.325 -17.64738 26.83516 
1 1 1   14    8   18 o  141.718   9.4223  252.783   33.155  238.217   49.193  264.908   44.881  136.766   14.630  144.658   12.548 -7.890961 19.27471 
1 1 1   14    8   19 o  205.385   9.7497  528.866   50.004  518.873   72.282  538.037   69.249  202.449   14.391  206.337   13.514 -3.887695 19.74204 
1 1 1   14    8   20 o  172.990   9.1838  376.118   39.531  408.637   58.078  348.047   53.960  179.759   13.026  165.805   13.140 13.95438 18.50250 
1 1 1   14    8   21 o  121.193   9.1336  185.141   27.439  212.143   41.992  165.020   36.248  129.165   13.204  113.793   12.989 15.37157 18.52210 
1 1 1   14    8   22 o  319.345   11.767  1281.84   93.834  1296.59  134.279  1267.76  131.177  319.630   16.883  316.108   16.677 3.521667 23.73084 
1 1 1   14    8   23 o  134.879   9.3088  229.194   31.162  203.334   46.909  249.621   41.690  126.010   15.215  140.391   12.007 -14.38010 19.38239 
1 1 1   14    8   24 o  236.977   10.246  704.912   60.635  651.251   87.917  753.592   83.738  226.464   15.642  244.122   13.793 -17.65707 20.85445 
1 1 1   14    8   25 o  240.665   14.496  733.632   86.710   0.0000   0.0000  733.632   86.710  ?   ?   240.665   14.496 0.000000 14.49564 
1 1 1   14    8   26 o  336.826   17.903  1444.77  150.043  1444.77  150.043   0.0000   0.0000  336.826   17.903  ?   ?  0.000000 17.90284 
1 1 1   14    8   27 o  138.953   10.047  243.683   34.626  310.765   50.751  185.263   47.361  156.478   13.109  119.887   16.238 36.59180 20.86863 
1 1 1   14    8   28 o  185.063   12.048  433.049   55.373  489.070  110.418  414.227   64.003  193.588   23.309  180.510   14.316 13.07758 27.35471 
1 1 1   14    8   29 o   84.321   19.445   94.392   40.108   76.443   79.467  100.527   46.459   82.243   29.904   86.794   21.537 -4.550858 36.85260 
1 1 1   14    8   30 o   99.207   11.509  125.640   27.983  143.903   37.567  102.874   41.942  105.609   14.638   87.947   19.599 17.66191 24.46205 
1 1 1   14    8   31 o  168.660   10.810  359.905   45.289  353.912   62.867  366.371   65.301  166.148   15.325  168.977   15.653 -2.829468 21.90592 
1 1 1   14    8   32 o  154.156   11.573  302.026   44.225  370.055   61.224  227.799   63.951  169.903   14.571  131.280   20.151 38.62364 24.86741 
1 1 1   14    8   33 o   99.537   11.742  127.209   28.624  122.193   36.094  135.710   46.987   96.563   15.492  100.696   19.389 -4.132019 24.81841 
1 1 1   14    8   34 o  133.069   11.586  226.474   38.115  243.917   49.670  201.492   59.442  137.167   14.732  122.560   20.120 14.60662 24.93689 
1 1 1   14    8   35 o  154.098   16.121  310.874   61.118  327.452   67.258  232.310  146.413  157.618   17.377  120.754   40.839 36.86383 44.38222 
1 1 1   14    8   36 o  179.451   17.794  427.186   78.686  491.510   87.829  165.602  177.116  192.124   18.537  106.523   43.042 85.60007 46.86424 
1 1 1   14    8   37 o   99.687   12.866  129.883   31.280  135.349   38.211  118.780   54.461  100.751   15.699   91.094   23.711 9.657318 28.43715 
1 1 1   14    8   38 o  186.719   12.527  451.409   58.072  458.879   72.461  437.997   97.093  186.391   15.714  177.233   22.441 9.157440 27.39564 
1 1 1   14    8   39 o  144.662   12.536  272.621   44.838  266.683   55.310  284.005   76.578  141.289   15.956  141.652   22.393 -0.3629150 27.49624 
1 1 1   14    8   40 o   56.952   17.112   44.430   26.299   60.735   30.237  -6.2128   53.290   65.876   17.910   48.855   21.730 17.02106 28.15964 
1 1 1   14    8   41 o  100.076   24.360  151.774   60.303  193.145  135.937  141.638   67.285  100.489   38.581   94.731   27.084 5.757988 47.13813 
1 1 1   14    9    0 o  451.224   14.759  2553.27  166.301  2639.10  235.585  2468.02  234.786  457.802   20.607  442.598   21.243 15.20456 29.59587 
1 1 1   14    9    1 o  142.212   8.9733  253.918   31.703  272.194   44.815  235.607   44.856  146.917   12.329  136.487   13.331 10.43033 18.15820 
1 1 1   14    9    2 o  467.104   15.576  2737.00  181.681  2708.53  256.883  2765.49  256.989  463.558   22.191  468.451   21.968 -4.892822 31.22594 
1 1 1   14    9    3 o  253.468   10.778  803.954   68.220  765.485   96.322  842.673   96.633  246.527   15.728  258.799   15.017 -12.27260 21.74613 
1 1 1   14    9    4 o  320.293   12.047  1284.47   96.352  1232.83  136.081  1336.37  136.443  312.829   17.490  325.843   16.826 -13.01443 24.26933 
1 1 1   14    9    5 o  850.390   26.166  9149.13  555.647  9095.98  785.783  9202.30  785.823  842.209   37.362  847.248   37.142 -5.039001 52.68255 
1 1 1   14    9    6 o  781.863   24.157  7720.77  471.661  7759.48  667.078  7682.08  666.982  779.333   34.277  775.348   34.448 3.984802 48.59620 
1 1 1   14    9    7 o  581.343   18.600  4249.35  270.019  4163.92  381.829  4334.82  381.899  573.364   26.668  585.177   26.134 -11.81299 37.33867 
1 1 1   14    9    8 o  155.400   12.592  304.498   48.445  234.242   64.758  393.788   73.005  135.020   19.794  176.286   16.787 -41.26578 25.95377 
1 1 1   14    9    9 o  200.114   13.838  504.469   68.725  557.172   94.988  446.577   99.556  209.692   18.324  186.936   21.732 22.75566 28.42637 
1 1 1   14    9   10 o  336.978   17.543  1431.68  147.113  1545.15  206.922  1315.70  209.193  348.703   23.907  321.033   26.326 27.67056 35.56154 
1 1 1   14    9   11 o  436.320   20.670  2401.87  225.218  2325.03  317.166  2480.03  319.865  425.865   30.016  440.173   29.267 -14.30865 41.92257 
1 1 1   14    9   12 o  428.917   20.470  2322.18  219.253  2287.83  308.686  2357.15  311.472  422.341   29.453  428.793   29.263 -6.451416 41.51896 
1 1 1   14    9   13 o  635.355   20.064  5097.19  318.337  5193.46  450.665  5001.31  449.729  637.815   28.295  625.665   28.784 12.15009 40.36273 
1 1 1   14    9   14 o  346.137   12.333  1502.86  106.599  1487.36  151.155  1518.19  150.355  343.069   17.704  347.118   17.346 -4.049744 24.78516 
1 1 1   14    9   15 o  107.739   9.5349  146.496   25.388  132.369   36.782  159.352   35.087  101.528   14.956  111.955   12.779 -10.42747 19.67172 
1 1 1   14    9   16 o  390.730   13.666  1918.89  133.347  1837.78  188.915  1999.42  188.248  380.467   19.953  397.635   18.958 -17.16791 27.52358 
1 1 1   14    9   17 o  426.157   20.259  2303.20  215.591  2148.42  303.817  2460.18  305.977  406.804   30.121  436.453   28.225 -29.64825 41.27876 
1 1 1   14    9   18 o  210.588   13.750  560.313   71.912  600.368  100.894  518.953  102.524  216.938   18.810  201.109   20.711 15.82925 27.97811 
1 1 1   14    9   19 o  523.075   24.300  3503.18  317.408  3495.61  448.465  3510.76  449.302  514.618   35.107  515.744   35.095 -1.126465 49.64023 
1 1 1   14    9   20 o  255.758   14.726  827.328   93.656  826.346  132.139  828.319  132.762  253.934   21.027  254.215   21.104 -0.2817535 29.79149 
1 1 1   14    9   21 o  279.641   15.404  990.042  107.157  963.802  151.364  1016.41  151.722  273.832   22.330  281.450   21.756 -7.617859 31.17615 
1 1 1   14    9   22 o  401.391   14.068  2030.74  141.014  1932.89  200.510  2126.49  198.356  388.957   20.718  409.010   19.421 -20.05322 28.39723 
1 1 1   14    9   23 o  197.503   9.5601  489.232   47.151  471.733   69.149  504.437   64.460  192.859   14.463  199.759   12.993 -6.900223 19.44224 
1 1 1   14    9   24 o  222.860   10.091  623.304   56.159  599.703   81.719  644.427   77.308  217.400   15.147  225.700   13.782 -8.300278 20.47913 
1 1 1   14    9   25 o  119.529   9.5841  180.365   28.367  142.869   43.398  208.336   37.482  104.876   17.165  128.177   11.844 -23.30105 20.85438 
1 1 1   14    9   26 o  250.786   10.691  790.036   66.951  792.247   96.735  788.003   92.755  249.827   15.584  249.312   14.968 0.5148468 21.60751 
1 1 1   14    9   27 o  365.639   12.675  1684.02  115.729  1641.53  165.189  1724.98  162.185  358.775   18.501  368.556   17.622 -9.780457 25.55023 
1 1 1   14    9   28 o  133.077   10.101  223.674   33.317  253.790   48.499  196.762   45.847  141.117   13.945  123.835   15.141 17.28255 20.58445 
1 1 1   14    9   29 o  116.327   10.026  171.237   28.839  165.584   40.347  177.142   41.238  113.530   14.568  117.532   14.348 -4.002098 20.44718 
1 1 1   14    9   30 o   73.884   12.810   70.830   22.778   53.725   29.953   94.285   35.076   64.006   17.991   84.601   17.189 -20.59426 24.88285 
1 1 1   14    9   31 o  186.579   15.632  445.606   72.160  402.517  117.172  471.933   91.588  172.614   28.154  190.784   19.498 -18.16960 34.24618 
1 1 1   14    9   32 o   57.554   14.455   43.738   20.747   56.737   25.037   15.251   37.064   65.441   15.550   48.938   19.720 16.50295 25.11307 
1 1 1   14    9   33 o  317.151   13.308  1278.65  105.395  1275.26  147.951  1282.16  150.176  313.341   18.998  314.033   19.243 -0.6919556 27.04101 
1 1 1   14    9   34 o  110.505   10.890  156.060   29.659  138.582   37.377  185.779   48.738  102.995   14.971  118.909   16.888 -15.91327 22.56828 
1 1 1   14    9   35 o  319.349   12.915  1303.13  102.997  1357.45  143.290  1245.05  148.153  322.155   17.882  307.257   19.409 14.89783 26.39039 
1 1 1   14    9   36 o  186.803   11.642  446.848   54.038  471.712   71.378  413.460   82.713  190.339   15.142  175.994   19.128 14.34541 24.39621 
1 1 1   14    9   37 o   94.817   17.137  121.299   39.084  130.750   40.012 -75.3587  182.513   98.641   16.849   78.148   36.711 20.49254 40.39309 
1 1 1   14    9   38 o  119.645   17.325  192.582   50.257  192.582   50.257   0.0000   0.0000  119.645   17.325  ?   ?  0.000000 17.32527 
1 1 1   14    9   39 o   93.007   13.070  113.987   29.517   82.065   34.890  194.351   55.360   76.832   18.423  118.805   19.324 -41.97337 26.69907 
1 1 1   14    9   40 o   75.493   15.656   77.858   28.547   90.077   33.728   46.997   53.602   80.696   17.260   63.124   24.229 17.57244 29.74772 
1 1 1   14    9   41 o   37.749   15.233   10.241   22.151   5.5669   24.615   30.138   50.788   37.319   15.656   56.715   23.002 -19.39593 27.82467 
1 1 1   14   10    0 o  172.194   13.767  374.091   58.703  374.091   58.703   0.0000   0.0000  172.194   13.767  ?   ?  0.000000 13.76691 
1 1 1   14   10    1 f  370.418   13.323  1719.61  123.235  1723.09  174.271  1716.13  174.290  369.613   18.945  368.856   18.986 0.7576599 26.82130 
1 1 1   14   10    2 f  555.597   17.567  3878.92  243.736  3900.67  344.658  3857.16  344.733  555.387   24.851  552.239   24.998 3.147217 35.24858 
1 1 1   14   10    3 o  541.695   17.579  3687.00  237.794  3621.31  336.199  3752.76  336.383  535.085   25.161  544.829   24.724 -9.744568 35.27535 
1 1 1   14   10    4 o  619.347   19.315  4826.01  298.736  4844.86  422.527  4807.17  422.425  618.201   27.370  615.758   27.472 2.443787 38.77915 
1 1 1   14   10    5 o  212.295   8.9295  563.650   47.339  606.875   67.078  520.762   66.816  219.785   12.271  203.434   13.224 16.35056 18.04031 
1 1 1   14   10    6 o  388.196   13.312  1888.53  129.051  1894.81  182.533  1882.25  182.479  388.128   18.833  386.831   18.890 1.297089 26.67436 
1 1 1   14   10    7 o  319.375   11.859  1277.38   94.580  1284.85  133.880  1269.94  133.635  319.387   16.846  317.512   16.915 1.874725 23.87251 
1 1 1   14   10    8 f  186.609   13.551  438.822   62.718  461.478   85.774  412.790   91.940  190.704   18.234  179.797   20.865 10.90654 27.70941 
1 1 1   14   10    9 f  180.855   13.514  412.358   60.591  444.564   82.913  375.448   88.763  187.165   17.960  171.266   21.208 15.89926 27.79114 
1 1 1   14   10   10 o  396.286   19.022  1977.74  188.243  1843.02  264.375  2116.29  268.096  379.663   28.084  407.482   26.491 -27.81958 38.60701 
1 1 1   14   10   11 o  607.227   19.354  4647.33  293.476  4682.82  415.337  4611.94  414.738  606.694   27.414  602.014   27.588 4.680054 38.89268 
1 1 1   14   10   12 o  213.178   10.050  568.952   53.500  539.382   76.006  597.990   75.320  206.716   14.822  217.845   13.918 -11.12888 20.33272 
1 1 1   14   10   13 o  345.289   12.251  1495.01  105.636  1569.33  149.888  1421.67  148.901  353.069   17.000  335.449   17.840 17.61945 24.64262 
1 1 1   14   10   14 o  592.915   18.937  4437.88  280.385  4506.44  396.950  4369.60  396.102  594.257   26.749  584.992   27.115 9.265442 38.08847 
1 1 1   14   10   15 o  484.020   15.904  2949.71  192.229  2995.53  272.289  2904.19  271.421  485.761   22.447  478.198   22.729 7.562561 31.94495 
1 1 1   14   10   16 o  185.973   9.4248  434.310   43.627  433.206   62.464  435.360   60.958  185.166   13.604  185.688   13.233 -0.5216827 18.97827 
1 1 1   14   10   17 f  411.314   12.848  2125.73  131.967  2351.00  187.824  1906.10  185.458  431.419   17.434  388.001   19.141 43.41818 25.89063 
1 1 1   14   10   18 o  302.061   11.239  1145.10   84.777  1208.45  120.941  1083.90  118.871  309.160   15.717  292.604   16.334 16.55673 22.66738 
1 1 1   14   10   19 o  360.956   12.493  1637.70  112.608  1739.47  160.400  1538.79  158.129  370.864   17.320  348.115   18.254 22.74918 25.16292 
1 1 1   14   10   20 o  179.279   9.3447  403.962   41.691  406.814   60.774  401.426   57.299  179.246   13.681  178.174   12.967 1.071503 18.84961 
1 1 1   14   10   21 o  387.547   13.565  1891.28  131.277  1815.58  186.513  1965.60  184.807  377.400   19.860  393.558   18.804 -16.15875 27.35032 
1 1 1   14   10   22 o  183.077   12.933  423.880   58.748  412.831   82.909  435.021   83.256  179.402   18.785  184.321   18.331 -4.918121 26.24697 
1 1 1   14   10   23 o  374.435   18.524  1779.95  173.210  1817.98  245.065  1741.99  244.846  374.422   26.379  366.172   26.967 8.250061 37.72313 
1 1 1   14   10   24 o  271.836   21.732  949.981  146.290   0.0000   0.0000  949.981  146.290  ?   ?   271.836   21.732 0.000000 21.73206 
1 1 1   14   10   25 o  186.878   14.339  443.125   66.403  443.125   66.403   0.0000   0.0000  186.878   14.339  ?   ?  0.000000 14.33850 
1 1 1   14   10   26 o  145.486   9.5015  266.648   34.330  257.261   51.407  274.204   46.121  142.003   14.710  147.041   12.685 -5.038177 19.42409 
1 1 1   14   10   27 o  399.442   13.623  2012.25  135.889  2058.73  193.833  1967.33  190.561  402.011   19.308  392.940   19.420 9.071228 27.38526 
1 1 1   14   10   28 o  155.325   9.7768  304.042   37.728  287.040   55.248  318.899   51.646  149.959   14.953  158.507   13.167 -8.548508 19.92370 
1 1 1   14   10   29 o  121.486   10.604  186.904   31.846  230.975   45.852  145.833   44.264  134.553   13.844  105.816   17.353 28.73786 22.19859 
1 1 1   14   10   30 o  205.843   9.8131  532.362   50.442  483.488   72.178  579.019   70.522  194.820   14.950  213.723   13.279 -18.90370 19.99626 
1 1 1   14   10   31 o  280.459   11.072  990.869   77.544  967.765  110.190  1013.54  109.146  275.377   16.094  282.032   15.557 -6.654877 22.38409 
1 1 1   14   10   32 o  126.967   10.468  204.467   32.893  212.855   44.214  194.070   49.222  128.801   13.970  122.247   16.549 6.553490 21.65771 
1 1 1   14   10   33 o  383.578   21.070  1921.44  201.047  1670.23  291.793  2148.48  277.399  345.394   34.284  399.089   28.012 -53.69565 44.27229 
1 1 1   14   10   34 o   77.663   13.276   78.839   24.823   79.132   29.665   78.154   45.336   77.177   15.921   76.129   22.369 1.047653 27.45622 
1 1 1   14   10   35 o  152.193   11.481  295.843   43.313  310.536   57.525  276.610   65.816  154.720   15.081  144.507   18.675 10.21245 24.00409 
1 1 1   14   10   36 o   82.732   12.591   89.375   25.192   71.188   30.179  131.177   45.753   72.551   16.961   98.237   19.339 -25.68602 25.72334 
1 1 1   14   10   37 f  127.702   11.369  209.727   35.875  198.272   45.138  229.374   59.114  122.816   15.031  130.564   18.662 -7.747925 23.96248 
1 1 1   14   10   38 o  143.130   11.962  264.498   42.362  278.175   53.063  240.463   70.342  145.568   14.804  131.343   22.240 14.22459 26.71667 
1 1 1   14   10   39 o   61.267   16.070   51.196   24.892   49.940   28.267   55.533   52.532   60.524   17.628   66.391   24.287 -5.867126 30.01034 
1 1 1   14   10   40 o   40.960   15.970   15.112   23.563   15.112   23.563   0.0000   0.0000   40.960   15.970  ?   ?  0.000000 15.96952 
1 1 1   14   10   41 o   68.769   16.334   65.501   27.634   71.909   32.903   50.158   50.912   71.440   18.347   63.256   23.766 8.184856 30.02428 
1 1 1   14   10   42 o   36.532   15.209   6.4125   22.970   10.473   26.173  -7.1993   47.922   40.023   16.405   45.869   20.490 -5.846287 26.24797 
1 1 1   14   11    0 o  623.354   22.945  4912.51  357.167  4912.78  436.841  4911.98  620.332  621.429   28.150  614.034   40.686 7.394348 49.47538 
1 1 1   14   11    1 o  378.090   14.849  1793.97  140.197  1671.46  170.558  2049.19  246.177  363.917   18.833  401.582   24.668 -37.66489 31.03487 
1 1 1   14   11    2 o  546.812   19.666  3765.86  268.543  3556.53  327.978  4191.67  467.765  530.054   24.778  571.595   32.910 -41.54108 41.19509 
1 1 1   14   11    3 o  768.981   23.843  7476.37  457.859  7330.43  647.292  7622.50  647.730  756.441   34.267  771.735   33.611 -15.29376 47.99878 
1 1 1   14   11    4 o  731.599   22.675  6758.50  414.260  6810.90  585.928  6706.12  585.776  730.328   32.127  724.564   32.375 5.764221 45.61015 
1 1 1   14   11    5 o  563.172   17.376  3986.39  244.370  4057.04  345.674  3915.81  345.510  566.313   24.443  556.241   24.874 10.07245 34.87392 
1 1 1   14   11    6 o  166.150   9.4924  346.496   39.221  344.442   55.424  348.556   55.511  165.206   13.554  166.204   13.491 -0.9973450 19.12385 
1 1 1   14   11    7 o  401.545   13.175  2021.09  132.108  1972.52  186.756  2069.75  186.903  395.875   18.891  405.589   18.454 -9.713837 26.40868 
1 1 1   14   11    8 o  382.217   18.854  1839.11  179.957  1842.62  252.608  1835.49  256.431  380.110   26.784  379.228   27.260 0.8818359 38.21631 
1 1 1   14   11    9 o  431.151   20.448  2344.28  220.155  2263.33  309.508  2427.18  313.219  420.365   29.675  435.642   28.957 -15.27701 41.46202 
1 1 1   14   11   10 o   82.593   10.765   86.853   21.675   87.497   31.390   86.266   29.965   82.079   15.889   81.581   15.270 0.4986496 22.03718 
1 1 1   14   11   11 o  335.382   12.267  1409.97  102.741  1425.79  145.489  1394.23  145.107  336.154   17.391  332.371   17.545 3.782593 24.70401 
1 1 1   14   11   12 f  335.228   12.393  1409.11  103.747  1399.84  147.032  1418.31  146.412  332.922   17.750  335.159   17.555 -2.237091 24.96419 
1 1 1   14   11   13 o  592.190   18.725  4424.00  276.902  4515.23  392.004  4333.14  391.195  595.275   26.371  582.923   26.874 12.35223 37.65135 
1 1 1   14   11   14 o  371.794   13.195  1735.43  122.506  1714.42  173.478  1756.33  173.021  368.001   18.942  373.027   18.574 -5.025848 26.52903 
1 1 1   14   11   15 o  386.386   13.236  1875.14  127.711  1918.36  181.096  1832.37  180.129  389.693   18.610  380.779   18.944 8.914398 26.55508 
1 1 1   14   11   16 o  175.977   9.3448  388.970   40.918  393.418   58.658  384.754   57.108  176.433   13.414  174.502   13.203 1.930435 18.82170 
1 1 1   14   11   17 o  340.477   12.151  1455.71  103.311  1495.33  146.673  1416.71  145.542  344.128   17.068  334.426   17.488 9.701294 24.43680 
1 1 1   14   11   18 o  549.064   17.836  3813.36  244.558  3742.77  346.155  3883.70  345.561  540.243   25.658  550.615   25.132 -10.37201 35.91616 
1 1 1   14   11   19 o  292.991   10.711  1077.15   78.368  1158.08  112.093  999.767  109.607  303.117   14.809  281.057   15.679 22.06091 21.56701 
1 1 1   14   11   20 o  115.565   9.2540  168.455   26.482  157.576   39.570  177.281   35.640  110.873   14.650  118.137   12.259 -7.263939 19.10317 
1 1 1   14   11   21 o  363.724   12.756  1664.29  115.864  1748.04  165.167  1583.14  162.576  371.448   17.806  352.826   18.517 18.62180 25.68923 
1 1 1   14   11   22 o  378.392   12.992  1802.12  122.759  1848.65  175.018  1757.06  172.229  381.730   18.360  372.097   18.535 9.632965 26.08934 
1 1 1   14   11   23 o   63.729   11.944   52.701   18.310   51.926   29.431   53.190   23.388   63.162   17.862   63.663   14.964 -0.5008659 23.30174 
1 1 1   14   11   24 o   78.899   10.793   79.606   20.708   71.444   33.268   84.769   26.459   73.606   18.202   80.958   13.568 -7.352516 22.70205 
1 1 1   14   11   25 o  310.300   13.646  1213.60  105.738  1192.26  131.180  1253.17  178.657  306.249   17.223  311.817   23.109 -5.568359 28.82073 
1 1 1   14   11   26 o  243.142   14.321  748.534   86.572  761.987  122.203  734.980  122.659  243.656   20.268  239.114   20.748 4.541687 29.00459 
1 1 1   14   11   27 o  388.476   19.054  1921.15  184.840  1896.27  260.751  1946.27  262.060  381.101   27.586  386.259   27.346 -5.157166 38.84258 
1 1 1   14   11   28 o  119.630   9.9985  180.926   29.596  209.105   44.501  158.578   39.630  127.937   14.167  111.107   14.640 16.82973 20.37224 
1 1 1   14   11   29 o  325.911   12.485  1338.43  101.608  1323.16  145.340  1353.03  142.106  321.936   18.153  325.799   17.531 -3.863647 25.23616 
1 1 1   14   11   30 o  483.886   16.194  2972.33  195.680  2952.26  277.912  2992.06  275.569  478.082   23.278  481.542   22.916 -3.459564 32.66565 
1 1 1   14   11   31 o  245.712   10.600  759.804   65.039  785.981   92.990  734.737   90.999  248.484   15.057  240.157   15.253 8.326584 21.43284 
1 1 1   14   11   32 o  213.510   10.323  574.075   55.039  548.315   77.509  600.276   78.169  207.149   15.087  216.970   14.511 -9.821182 20.93316 
1 1 1   14   11   33 o  290.157   11.945  1065.21   86.551  1145.60  122.446  984.936  122.358  298.720   16.478  276.267   17.831 22.45300 24.27925 
1 1 1   14   11   34 o  161.615   11.071  331.951   44.411  348.804   60.308  311.984   65.643  164.564   14.835  154.715   17.286 9.848694 22.77885 
1 1 1   14   11   35 o  122.530   17.020  197.584   50.672  255.864  102.515  178.741   58.291  132.822   31.403  114.916   21.090 17.90567 37.82734 
1 1 1   14   11   36 f   58.261   20.329   41.394   36.360   1.2304   91.668   48.893   39.609   66.201   29.008   62.250   21.241 3.950455 35.95323 
1 1 1   14   11   37 o   67.212   14.270   60.371   23.210   61.851   27.814   56.976   42.121   67.552   16.605   65.843   21.903 1.708717 27.48595 
1 1 1   14   11   38 o   76.051   13.720   76.793   25.097   64.310   29.805  107.208   46.524   68.578   17.382   87.379   21.474 -18.80059 27.62734 
1 1 1   14   11   39 o  140.083   12.215  254.173   42.301  236.195   53.027  285.632   70.147  133.168   16.285  144.474   19.978 -11.30617 25.77437 
1 1 1   14   11   40 o   41.651   15.172   19.361   20.469   18.509   23.249   22.297   43.168   42.478   16.039   52.471   21.233 -9.993488 26.60961 
1 1 1   14   11   41 o   74.667   16.242   76.725   29.422   98.868   35.440   27.623   52.774   84.521   17.372   57.036   23.327 27.48523 29.08515 
1 1 1   14   12    0 o  143.581   20.464  265.303   71.297  265.303   71.297   0.0000   0.0000  143.581   20.464  ?   ?  0.000000 20.46403 
1 1 1   14   12    1 o  988.897   35.347 12599.68  872.877 12256.26  1068.14 13290.07  1514.47  966.901   44.238  983.188   62.002 -16.28748 76.16559 
1 1 1   14   12    2 o  263.911   12.904  873.224   85.039  997.559  103.556  615.752  149.020  281.513   14.783  218.287   27.982 63.22594 31.64693 
1 1 1   14   12    3 o  969.050   34.474 12063.82  834.224 12235.42  1021.56 11720.33  1445.36  969.148   42.211  923.716   63.036 45.43134 75.86342 
1 1 1   14   12    4 o  126.891   11.518  203.326   36.100  224.074   42.472  149.318   68.524  133.074   12.945  106.413   26.007 26.66135 29.05045 
1 1 1   14   12    5 o  416.980   12.764  2179.42  132.909  2209.39  187.941  2149.44  187.982  419.042   17.960  413.271   18.215 5.770233 25.58050 
1 1 1   14   12    6 o  222.258   8.4507  617.842   46.903  647.735   66.475  588.206   66.188  227.087   11.763  216.308   12.304 10.77922 17.02218 
1 1 1   14   12    7 o  125.203   9.4762  197.271   29.408  192.561   41.822  201.877   41.362  123.135   13.841  126.189   13.328 -3.053741 19.21424 
1 1 1   14   12    8 o  659.393   29.788  5548.25  490.501  5887.64  693.010  5207.55  694.337  671.362   41.540  629.233   44.475 42.12933 60.85737 
1 1 1   14   12    9 o  347.080   16.479  1514.53  142.831  1221.99  198.634  1827.73  205.530  309.159   25.969  379.712   21.766 -70.55328 33.88499 
1 1 1   14   12   10 o  195.467   9.8415  479.480   47.884  467.470   67.770  491.453   67.667  192.465   14.201  197.422   13.813 -4.956665 19.81047 
1 1 1   14   12   11 o  194.781   9.3386  474.853   45.424  477.770   64.396  471.965   64.082  194.688   13.326  193.493   13.344 1.194473 18.85828 
1 1 1   14   12   12 o  220.923   9.1800  610.888   50.645  657.238   72.069  565.669   71.184  228.551   12.677  211.863   13.525 16.68805 18.53767 
1 1 1   14   12   13 o  482.362   15.708  2927.20  189.206  3051.40  268.034  2803.85  267.124  490.756   21.871  470.148   22.752 20.60861 31.55987 
1 1 1   14   12   14 o  278.953   10.774  975.280   75.053  997.765  106.545  953.132  105.742  281.217   15.229  274.789   15.473 6.427368 21.70996 
1 1 1   14   12   15 o   74.867   11.027   71.772   19.998   66.675   29.289   76.223   27.371   71.317   16.734   76.557   14.853 -5.240448 22.37495 
1 1 1   14   12   16 o  128.904   9.1566  209.157   29.283  215.950   42.476  203.003   40.425  130.433   13.224  126.461   12.985 3.971718 18.53340 
1 1 1   14   12   17 o  467.922   15.345  2759.24  179.306  2852.34  254.195  2667.04  252.963  473.657   21.491  457.766   22.129 15.89090 30.84719 
1 1 1   14   12   18 o  847.467   26.158  9223.12  553.571  9371.81  783.379  9074.81  782.358  842.364   37.241  828.188   37.829 14.17523 53.08419 
1 1 1   14   12   19 o  261.241   10.728  856.401   69.984  835.651   99.731  876.531   98.230  256.880   15.621  263.250   15.005 -6.370331 21.66027 
1 1 1   14   12   20 o  388.348   13.711  1899.05  132.970  1855.55  188.655  1942.00  187.446  381.624   19.865  391.138   19.191 -9.514069 27.62070 
1 1 1   14   12   21 o  521.090   16.504  3433.40  214.765  3613.53  304.835  3255.86  302.625  531.474   22.968  503.904   24.050 27.57025 33.25554 
1 1 1   14   12   22 o  164.919   9.4758  342.164   38.860  298.906   56.901  379.978   53.200  153.180   15.070  173.385   12.368 -20.20567 19.49585 
1 1 1   14   12   23 o  205.238   13.353  532.714   68.063   0.0000   0.0000  532.714   68.063  ?   ?   205.238   13.353 0.000000 13.35292 
1 1 1   14   12   24 o  129.511   13.820  213.752   44.006  213.752   44.006   0.0000   0.0000  129.511   13.820  ?   ?  0.000000 13.82013 
1 1 1   14   12   25 o  174.686   9.1571  383.669   39.806  416.455   59.517  357.132   53.545  181.355   13.233  167.938   12.866 13.41701 18.45649 
1 1 1   14   12   26 o  336.270   11.988  1422.43  100.663  1524.49  144.746  1326.84  140.087  346.913   16.708  322.995   17.433 23.91858 24.14683 
1 1 1   14   12   27 o  126.735   9.4661  202.617   29.742  193.646   45.341  209.393   39.405  122.900   15.091  128.380   12.448 -5.480110 19.56210 
1 1 1   14   12   28 o  170.005   9.6696  363.897   40.881  481.090   60.863  267.563   55.182  195.042   12.563  144.623   15.522 50.41914 19.96911 
1 1 1   14   12   29 o  365.182   18.428  1702.17  167.507  1720.52  235.249  1683.29  238.569  363.221   26.110  358.835   26.817 4.385864 37.42896 
1 1 1   14   12   30 f  390.992   19.903  1960.81  193.687  2102.17  271.724  1814.79  276.160  400.244   27.350  369.827   30.166 30.41751 40.71849 
1 1 1   14   12   31 o  157.444   9.8837  312.795   38.662  351.776   55.756  276.692   53.658  166.271   13.546  147.045   14.815 19.22627 20.07418 
1 1 1   14   12   32 o  369.954   13.325  1732.61  123.104  1816.02  175.218  1651.30  172.993  376.297   18.646  357.946   19.426 18.35104 26.92714 
1 1 1   14   12   33 o   62.726   14.063   51.921   21.484   74.212   27.003   13.480   35.462   75.085   14.927   47.488   19.235 27.59737 24.34735 
1 1 1   14   12   34 f   95.682   11.680  117.583   27.329  127.486   35.162  102.473   43.433   98.937   14.677   87.081   20.341 11.85645 25.08302 
1 1 1   14   12   35 o  110.595   11.332  156.647   30.854  151.972   39.806  163.683   48.831  107.848   15.202  110.984   18.254 -3.135880 23.75517 
1 1 1   14   12   36 o   77.351   13.354   78.604   24.861   81.076   30.493   73.704   42.938   77.810   16.219   73.589   21.809 4.220726 27.17920 
1 1 1   14   12   37 o   97.251   18.721  128.329   43.814  101.976  103.981  134.018   48.312   88.700   33.816   98.831   20.256 -10.13103 39.41885 
1 1 1   14   12   38 o  130.195   17.886  227.212   56.616  177.335  115.906  242.842   64.883  106.296   36.334  133.535   20.079 -27.23878 41.51315 
1 1 1   14   12   39 o   42.558   14.719   21.724   19.040   14.092   21.832   45.973   38.916   39.734   15.405   60.215   21.030 -20.48174 26.06855 
1 1 1   14   12   40 o  125.483   11.978  204.386   37.077  156.206   46.312  290.391   61.876  106.999   17.970  147.061   17.172 -40.06191 24.85560 
1 1 1   14   12   41 o   63.917   16.050   56.199   25.582   55.600   30.738   57.549   46.146   63.307   18.367   65.476   22.898 -2.168175 29.35441 
1 1 1   14   12   42 o   65.206   23.490   57.214   48.873   0.0000   0.0000   57.214   48.873  ?   ?    65.206   23.490 0.000000 23.49034 
1 1 1   14   13    0 o  196.218   20.286  491.584   97.965  491.584   97.965   0.0000   0.0000  196.218   20.286  ?   ?  0.000000 20.28606 
1 1 1   14   13    1 o  458.284   31.504  2708.11  358.345  2708.11  358.345   0.0000   0.0000  458.284   31.504  ?   ?  0.000000 31.50373 
1 1 1   14   13    2 o  203.967   11.647  523.075   59.078  504.470   70.704  566.112  107.534  199.947   14.254  210.711   20.704 -10.76451 25.13602 
1 1 1   14   13    3 o  150.573   10.888  285.455   40.663  264.489   47.796  340.398   77.374  144.586   13.390  163.182   19.366 -18.59653 23.54391 
1 1 1   14   13    4 o  268.412   12.536  903.292   84.025  902.026  101.911  905.979  148.487  267.521   15.319  266.676   22.508 0.8454590 27.22603 
1 1 1   14   13    5 o  305.377   13.701  1170.12  104.485  1225.91  127.260  1054.72  183.024  311.820   16.401  287.045   25.809 24.77536 30.57949 
1 1 1   14   13    6 o  560.670   20.755  3969.31  290.594  3872.29  355.186  4165.73  505.373  552.111   25.762  567.101   35.871 -14.98999 44.16348 
1 1 1   14   13    7 o  423.922   13.750  2255.05  145.561  2366.64  205.955  2143.68  205.755  433.298   19.034  412.181   19.990 21.11707 27.60250 
1 1 1   14   13    8 o  686.264   30.931  6031.37  530.081  6180.51  748.526  5881.33  750.774  684.791   44.005  666.867   45.353 17.92450 63.19310 
1 1 1   14   13    9 o  691.916   31.204  6137.28  539.155  6334.95  761.496  5938.58  763.468  692.748   44.250  669.224   45.963 23.52356 63.80191 
1 1 1   14   13   10 o  101.722   9.4743  130.641   23.790  122.474   34.050  138.429   33.252   97.729   14.382  104.239   13.061 -6.510284 19.42784 
1 1 1   14   13   11 o  160.312   7.8493  321.470   31.423  361.692   44.855  282.706   44.035  169.586   10.646  149.698   11.877 19.88876 15.94981 
1 1 1   14   13   12 o  219.037   9.1090  600.573   49.824  616.284   70.777  585.139   70.152  221.235   12.867  215.521   13.097 5.713852 18.35965 
1 1 1   14   13   13 o  144.556   9.1592  262.663   32.892  302.020   47.056  225.059   45.996  154.669   12.284  133.106   14.050 21.56345 18.66307 
1 1 1   14   13   14 o  417.201   12.908  2185.67  134.475  2310.33  190.612  2062.15  189.743  427.828   17.841  403.954   18.810 23.87473 25.92542 
1 1 1   14   13   15 o  311.757   11.575  1219.44   90.117  1290.70  128.018  1149.44  126.878  319.624   16.091  301.388   16.927 18.23599 23.35422 
1 1 1   14   13   16 o  398.301   13.163  1993.99  130.919  2073.69  185.641  1915.14  184.658  404.919   18.359  388.952   19.012 15.96701 26.42923 
1 1 1   14   13   17 o  236.032   10.503  698.713   61.905  701.576   88.089  695.920   87.015  235.495   15.058  234.565   14.933 0.9302521 21.20699 
1 1 1   14   13   18 o  526.196   17.162  3500.46  225.509  3463.72  319.286  3537.03  318.551  520.052   24.586  525.696   24.266 -5.644897 34.54393 
1 1 1   14   13   19 o  240.074   10.551  723.182   63.252  698.843   90.122  746.810   88.796  234.849   15.453  242.971   14.704 -8.122726 21.33115 
1 1 1   14   13   20 o  158.136   9.3175  314.553   36.632  310.014   53.237  318.635   50.484  156.304   13.780  158.641   12.854 -2.336975 18.84460 
1 1 1   14   13   21 o  296.818   11.289  1106.62   83.678  1140.68  119.482  1073.83  117.228  300.038   16.005  291.038   16.194 9.000519 22.76823 
1 1 1   14   13   22 o  151.447   9.5381  288.759   35.888  245.347   52.543  326.724   49.135  138.555   15.449  160.712   12.337 -22.15747 19.77062 
1 1 1   14   13   23 o  185.180   9.4773  431.171   43.679  429.321   64.081  432.777   59.695  184.016   14.051  184.960   13.007 -0.9442444 19.14745 
1 1 1   14   13   24 o  373.969   12.963  1760.91  121.060  1877.15  172.902  1649.12  169.558  384.625   18.002  359.730   18.942 24.89548 26.13145 
1 1 1   14   13   25 o  268.595   10.766  906.095   72.208  927.063  104.282  886.782  100.081  270.405   15.508  264.522   15.215 5.883423 21.72568 
1 1 1   14   13   26 o  474.909   15.647  2851.99  185.558  2913.93  264.026  2791.53  260.839  477.024   22.164  466.786   22.377 10.23883 31.49600 
1 1 1   14   13   27 o  180.930   9.2281  411.657   41.556  502.212   62.337  339.228   55.750  199.323   12.589  163.435   13.789 35.88771 18.67087 
1 1 1   14   13   28 o  210.280   9.5347  554.888   50.067  597.838   73.996  518.622   67.995  217.266   13.709  202.337   13.535 14.92870 19.26479 
1 1 1   14   13   29 o  290.606   10.982  1061.85   79.695  1104.27  115.221  1022.95  110.349  294.883   15.704  283.809   15.630 11.07410 22.15647 
1 1 1   14   13   30 o  182.537   10.275  420.057   46.645  543.910   68.484  312.878   63.707  207.165   13.308  156.136   16.594 51.02921 21.27114 
1 1 1   14   13   31 o   92.040   11.263  108.233   25.346  127.817   34.861   86.269   36.918   99.482   14.456   80.611   18.701 18.87054 23.63710 
1 1 1   14   13   32 o  274.515   17.568  966.763  119.802  1175.42  163.843  727.028  175.621  300.603   21.979  231.238   31.211 69.36563 38.17318 
1 1 1   14   13   33 o  199.086   15.275  507.829   75.363  572.199   96.480  407.075  120.704  210.155   18.575  172.400   29.071 37.75560 34.49913 
1 1 1   14   13   34 o  186.014   10.559  438.296   48.846  389.914   67.534  491.369   70.733  173.881   15.723  195.763   14.573 -21.88196 21.43850 
1 1 1   14   13   35 o  182.644   10.598  423.410   48.127  428.741   65.683  417.230   70.721  182.502   14.533  179.476   15.946 3.026688 21.57455 
1 1 1   14   13   36 o  114.977   11.397  169.555   32.291  184.954   41.980  147.241   50.535  119.237   14.390  104.199   20.150 15.03719 24.76054 
1 1 1   14   13   37 o  141.734   11.421  257.510   40.079  240.557   52.112  282.060   62.709  135.404   15.703  145.912   17.563 -10.50766 23.55956 
1 1 1   14   13   38 o  137.826   11.130  243.809   37.980  219.699   47.786  285.162   62.582  129.321   15.080  146.385   17.465 -17.06404 23.07456 
1 1 1   14   13   39 o   30.532   12.770   2.8042   16.300   5.5272   18.427  -6.9916   34.950   33.471   13.748   40.137   17.737 -6.665829 22.44136 
1 1 1   14   13   40 o  126.730   18.215  217.896   55.987  276.343  129.868  204.554   62.049  127.476   37.964  121.017   21.311 6.458458 43.53596 
1 1 1   14   13   41 o  128.693   12.527  216.190   39.747  178.358   50.750  276.210   63.922  113.928   18.471  142.274   18.425 -28.34581 26.08898 
1 1 1   14   13   42 o   80.140   23.670   94.882   50.648   0.0000   0.0000   94.882   50.648  ?   ?    80.140   23.670 0.000000 23.67046 
1 1 1   14   14    0 o  139.140   11.587  244.478   39.895  255.316   46.621  214.833   77.105  141.963   13.306  127.729   25.069 14.23441 28.38132 
1 1 1   14   14    1 o  452.992   31.333  2654.35  352.264  2654.35  352.264   0.0000   0.0000  452.992   31.333  ?   ?  0.000000 31.33315 
1 1 1   14   14    2 o  508.766   19.357  3269.47  245.926  3486.76  300.823  2831.61  427.022  524.169   22.982  465.117   37.073 59.05133 43.61865 
1 1 1   14   14    3 o  350.254   13.521  1540.18  118.262  1397.92  143.277  1844.30  209.484  332.668   17.307  380.921   22.118 -48.25317 28.08412 
1 1 1   14   14    4 o  249.327   12.285  779.629   76.488  789.143   92.341  758.833  136.522  250.157   14.848  243.675   22.697 6.481873 27.12235 
1 1 1   14   14    5 o  354.973   15.013  1583.62  133.084  1652.16  162.283  1442.88  232.559  362.066   17.949  335.030   28.055 27.03625 33.30550 
1 1 1   14   14    6 o  228.367   11.768  655.489   66.880  627.587   80.449  717.921  120.340  223.051   14.522  237.499   20.491 -14.44795 25.11562 
1 1 1   14   14    7 o  231.656   11.571  672.654   66.939  652.188   80.677  717.873  119.921  227.435   14.278  237.503   20.418 -10.06793 24.91492 
1 1 1   14   14    8 o  356.280   14.872  1595.19  132.315  1626.80  161.427  1530.46  230.975  358.801   18.075  345.451   26.989 13.35046 32.48249 
1 1 1   14   14    9 o  421.792   20.660  2249.67  217.610  2408.06  305.881  2087.35  309.649  433.094   28.441  402.013   31.086 31.08093 42.13334 
1 1 1   14   14   10 o  597.160   18.152  4497.46  270.680  4679.50  383.266  4316.30  382.333  606.268   25.315  581.814   26.315 24.45386 36.51524 
1 1 1   14   14   11 o  359.129   12.702  1618.59  113.915  1565.01  161.057  1672.23  161.143  351.686   18.403  364.155   17.720 -12.46808 25.54762 
1 1 1   14   14   12 o  201.084   9.7048  506.432   48.732  513.691   68.930  499.178   68.905  201.744   13.764  198.829   13.966 2.914658 19.60917 
1 1 1   14   14   13 o  505.422   16.186  3218.37  204.287  3342.14  289.183  3095.07  288.629  512.880   22.579  493.230   23.434 19.65033 32.54152 
1 1 1   14   14   14 o  320.167   12.110  1286.69   96.825  1273.33  137.113  1299.98  136.750  317.155   17.379  320.524   17.147 -3.369232 24.41394 
1 1 1   14   14   15 o  405.063   13.722  2063.31  138.805  2123.39  196.694  2003.72  195.908  409.515   19.234  397.664   19.728 11.85062 27.55257 
1 1 1   14   14   16 o  257.057   10.426  828.638   66.925  835.203   95.023  822.176   94.274  257.082   14.865  255.062   14.866 2.020172 21.02268 
1 1 1   14   14   17 o  315.899   11.646  1253.08   91.872  1298.81  130.366  1207.96  129.492  320.331   16.352  308.763   16.858 11.56747 23.48571 
1 1 1   14   14   18 o  285.777   11.039  1025.14   78.776  1024.91  111.886  1025.36  110.932  284.529   15.809  284.628   15.668 -0.9857178E-01 22.25782 
1 1 1   14   14   19 o  155.969   9.0876  305.896   35.241  301.065   50.915  310.339   48.828  154.095   13.364  156.599   12.593 -2.504440 18.36211 
1 1 1   14   14   20 o  129.239   8.8071  210.263   28.254  232.603   41.456  190.886   38.610  135.452   12.394  122.526   12.808 12.92512 17.82262 
1 1 1   14   14   21 o  375.668   13.253  1776.87  124.332  1761.35  176.603  1792.11  175.072  371.909   19.080  375.746   18.658 -3.837006 26.68656 
1 1 1   14   14   22 o  347.198   17.773  1532.12  153.581   0.0000   0.0000  1532.12  153.581  ?   ?   347.198   17.773 0.000000 17.77327 
1 1 1   14   14   23 o  180.973   14.470  415.741   64.845  415.741   64.845   0.0000   0.0000  180.973   14.470  ?   ?  0.000000 14.46962 
1 1 1   14   14   24 o  433.630   14.681  2373.38  158.974  2411.33  226.010  2336.20  223.656  434.720   20.819  427.844   20.934 6.876556 29.52390 
1 1 1   14   14   25 o  180.907   8.9784  410.320   40.560  496.434   60.582  340.359   54.605  198.257   12.297  163.806   13.468 34.45160 18.23792 
1 1 1   14   14   26 o  123.224   9.3531  191.538   28.566  204.391   44.886  182.789   37.033  126.455   14.475  119.861   12.559 6.594063 19.16408 
1 1 1   14   14   27 o  237.335   10.522  707.500   62.362  681.621   91.189  730.237   85.474  231.562   15.865  240.101   14.321 -8.538773 21.37289 
1 1 1   14   14   28 o  110.327   9.8766  154.008   26.923  160.651   41.678  149.250   35.269  111.698   15.347  107.999   13.363 3.699356 20.34952 
1 1 1   14   14   29 o  246.124   10.386  761.103   63.836  809.502   93.566  718.954   87.315  252.575   14.901  238.016   14.763 14.55835 20.97563 
1 1 1   14   14   30 o  251.018   10.791  792.411   67.642  954.069   99.186  651.862   92.485  274.269   14.534  226.021   16.500 48.24744 21.98805 
1 1 1   14   14   31 o  228.948   9.9243  658.831   56.740  603.411   82.509  708.553   78.152  217.616   15.280  236.452   13.290 -18.83618 20.25074 
1 1 1   14   14   32 o   81.906   12.243   86.510   24.272  110.587   32.391   55.678   36.655   92.313   14.531   65.704   20.295 26.60873 24.96117 
1 1 1   14   14   33 o  243.467   11.151  748.107   67.798  803.846   97.067  695.012   94.736  250.650   15.585  232.690   16.409 17.96024 22.63062 
1 1 1   14   14   34 o  163.050   14.271  341.119   57.521  401.359   66.835  169.044  112.960  176.616   15.305  109.549   35.841 67.06662 38.97219 
1 1 1   14   14   35 o  169.505   13.697  368.759   57.482  311.746   65.312  564.694  121.077  154.526   17.218  204.741   24.146 -50.21561 29.65620 
1 1 1   14   14   36 o  189.746   12.320  460.495   58.059  461.170   84.629  459.893   79.799  187.235   18.335  187.522   17.234 -0.2875824 25.16329 
1 1 1   14   14   37 o  106.657   11.516  146.501   30.185  129.907   38.041  174.709   49.598   98.990   15.929  114.316   17.967 -15.32542 24.01151 
1 1 1   14   14   38 o   79.467   13.445   83.322   25.730   83.545   31.328   82.858   45.102   78.653   16.478   77.127   22.211 1.525818 27.65612 
1 1 1   14   14   39 o   85.341   13.586   96.158   27.982   88.855   34.444  110.332   47.987   80.639   17.599   88.477   21.849 -7.837746 28.05528 
1 1 1   14   14   40 o  109.078   12.078  154.700   32.347  104.773   40.231  245.990   54.401   86.945   19.056  135.853   16.365 -48.90842 25.11839 
1 1 1   14   14   41 o  128.680   21.655  233.051   67.116   0.0000   0.0000  233.051   67.116  ?   ?   128.680   21.655 0.000000 21.65541 
1 1 1   14   15    0 o  219.199   12.358  605.331   67.370  680.422   80.958  436.224  121.491  232.151   14.031  182.424   27.526 49.72655 30.89538 
1 1 1   14   15    1 o  428.351   17.189  2315.78  183.863  2428.03  224.355  2086.22  320.848  437.611   20.530  399.979   32.401 37.63141 38.35780 
1 1 1   14   15    2 o  167.732   20.099  361.130   82.510  361.130   82.510   0.0000   0.0000  167.732   20.099  ?   ?  0.000000 20.09928 
1 1 1   14   15    3 o  483.078   18.402  2947.43  221.992  2905.75  270.860  3032.71  387.448  478.236   22.680  483.358   32.285 -5.122223 39.45529 
1 1 1   14   15    4 o  369.284   14.068  1713.91  129.726  1559.76  157.366  2040.83  229.173  351.109   18.009  400.149   23.032 -49.04056 29.23654 
1 1 1   14   15    5 o  634.404   22.557  5108.66  357.360  4827.96  436.512  5679.14  622.294  613.757   28.481  658.121   38.027 -44.36353 47.51009 
1 1 1   14   15    6 o  336.870   14.184  1426.14  119.322  1404.12  145.033  1472.26  209.911  333.256   17.489  339.124   24.963 -5.867615 30.47928 
1 1 1   14   15    7 o  144.952   11.150  264.934   40.050  266.528   47.254  260.867   75.459  145.109   13.184  141.847   22.017 3.262741 25.66267 
1 1 1   14   15    8 o  488.632   18.787  3015.33  229.244  3065.11  280.203  2914.55  398.666  491.322   22.838  473.282   33.957 18.04019 40.92286 
1 1 1   14   15    9 o  287.242   16.175  1042.26  115.552  1097.59  160.314  982.425  166.704  293.366   22.044  276.806   24.365 16.55917 32.85742 
1 1 1   14   15   10 o  218.767   13.803  603.727   75.020  555.289  101.438  662.206  111.457  208.640   19.703  227.981   19.773 -19.34111 27.91378 
1 1 1   14   15   11 o  390.430   15.149  1918.38  147.702  1813.92  179.965  2133.93  258.529  378.311   19.112  408.115   25.495 -29.80365 31.86303 
1 1 1   14   15   12 o  539.242   17.634  3670.92  237.462  3615.04  335.728  3726.86  335.916  532.060   25.268  540.404   24.892 -8.343933 35.46974 
1 1 1   14   15   13 o  437.271   13.908  2404.47  151.868  2461.14  214.889  2347.91  214.658  440.879   19.518  430.478   19.969 10.40060 27.92327 
1 1 1   14   15   14 o  207.954   10.507  543.615   54.388  496.974   77.077  589.868   76.757  197.961   15.721  216.041   14.309 -18.08043 21.25775 
1 1 1   14   15   15 o  147.236   9.3055  272.690   34.038  290.359   48.593  255.669   47.694  151.440   12.975  141.930   13.624 9.509750 18.81369 
1 1 1   14   15   16 o  389.385   13.727  1908.07  133.481  1880.08  188.955  1935.94  188.587  384.432   19.750  390.719   19.328 -6.287201 27.63391 
1 1 1   14   15   17 o  283.119   11.512  1006.60   81.391  951.815  115.422  1060.79  114.789  273.884   16.959  289.455   15.942 -15.57083 23.27601 
1 1 1   14   15   18 o  210.258   9.5958  554.276   50.383  559.380   71.713  549.300   70.802  210.333   13.729  208.432   13.679 1.901459 19.37988 
1 1 1   14   15   19 o  249.709   10.079  782.221   62.852  859.507   89.645  707.497   88.147  260.863   13.811  236.347   15.013 24.51604 20.39904 
1 1 1   14   15   20 o  440.855   14.921  2452.35  164.264  2523.05  232.846  2382.30  231.767  444.906   20.958  432.096   21.479 12.80963 30.01001 
1 1 1   14   15   21 o  215.898   11.770  587.617   63.217  526.470   78.901  697.251  105.649  203.556   15.642  233.753   18.244 -30.19687 24.03105 
1 1 1   14   15   22 o  612.031   42.267  5108.26  642.033  5108.26  642.033   0.0000   0.0000  612.031   42.267  ?   ?  0.000000 42.26709 
1 1 1   14   15   23 o  102.361   14.427  134.712   35.855  129.898   67.113  136.635   42.415   98.573   26.634  102.523   17.175 -3.949707 31.69107 
1 1 1   14   15   24 o  527.284   23.970  3573.41  315.618  3837.65  450.543  3318.79  442.274  538.124   33.698  498.481   35.767 39.64258 49.14104 
1 1 1   14   15   25 o  168.612   13.369  360.441   55.831  427.995   92.340  321.516   70.094  182.046   20.679  158.161   18.072 23.88524 27.46298 
1 1 1   14   15   26 o  252.060   15.092  805.596   94.561  847.284  142.681  772.943  126.275  256.174   22.533  245.192   20.820 10.98169 30.67940 
1 1 1   14   15   27 o  452.709   17.138  2599.73  193.741  2726.57  238.743  2355.11  331.554  461.962   20.695  421.953   31.697 40.00934 37.85535 
1 1 1   14   15   28 o  413.992   13.888  2163.12  143.579  2169.75  205.144  2156.76  201.022  412.296   19.925  411.215   19.576 1.080444 27.93254 
1 1 1   14   15   29 o  202.614   9.7602  515.433   49.383  538.913   73.258  495.876   66.857  206.041   14.327  197.762   13.621 8.278900 19.76855 
1 1 1   14   15   30 o  141.075   9.3988  250.948   32.921  262.388   49.360  241.783   44.184  143.446   13.956  137.844   12.989 5.602051 19.06560 
1 1 1   14   15   31 o  251.718   10.653  797.201   66.967  918.736   97.844  690.099   91.850  268.943   14.624  232.600   15.909 36.34264 21.60877 
1 1 1   14   15   32 o  299.731   12.828  1135.62   96.015  1216.99  137.667  1058.56  133.979  307.986   17.978  286.806   18.811 21.18005 26.02030 
1 1 1   14   15   33 o  297.047   12.598  1116.79   93.451  1216.75  133.947  1021.98  130.442  307.673   17.506  281.336   18.673 26.33707 25.59596 
1 1 1   14   15   34 o  212.738   11.267  573.727   59.645  602.197   84.681  545.697   84.024  216.428   15.777  205.695   16.497 10.73315 22.82666 
1 1 1   14   15   35 o  115.160   11.808  169.894   33.477  190.566   44.945  144.135   50.171  121.082   15.200  103.498   20.137 17.58363 25.22943 
1 1 1   14   15   36 o  140.695   11.177  252.736   38.947  255.092   51.944  249.711   58.859  140.110   15.084  137.691   17.515 2.418594 23.11474 
1 1 1   14   15   37 o  105.874   14.330  146.648   36.914  146.750   37.904  144.765  162.585  105.772   14.752  103.880   41.497 1.891914 44.04092 
1 1 1   14   15   38 o  224.112   20.059  674.039  111.074  674.039  111.074   0.0000   0.0000  224.112   20.059  ?   ?  0.000000 20.05920 
1 1 1   14   15   39 o   89.055   13.235  104.225   28.537   87.694   35.780  133.120   47.306   79.905   18.322   98.193   19.972 -18.28882 27.10358 
1 1 1   14   15   40 o   66.516   15.117   59.900   24.539   61.464   29.824   56.622   43.178   66.879   17.614   65.329   22.177 1.549461 28.32094 
1 1 1   14   15   41 o   68.365   22.466   64.465   44.365   0.0000   0.0000   64.465   44.365  ?   ?    68.365   22.466 0.000000 22.46610 
1 1 1   14   16    0 o  219.838   11.654  608.690   63.751  589.777   75.931  653.869  117.356  215.940   14.159  225.738   21.062 -9.797134 25.37894 
1 1 1   14   16    1 o  386.330   15.927  1883.31  153.651  1947.15  187.083  1751.00  269.327  391.918   19.116  366.730   29.663 25.18811 35.28892 
1 1 1   14   16    2 o  246.973   12.652  768.453   77.768  834.157   93.660  622.598  139.547  256.958   14.657  218.930   26.035 38.02774 29.87753 
1 1 1   14   16    3 o  382.973   27.658  1894.46  262.729  1894.46  262.729   0.0000   0.0000  382.973   27.658  ?   ?  0.000000 27.65798 
1 1 1   14   16    4 o  292.476   13.044  1074.93   95.273  1019.97  115.104  1194.52  169.778  283.939   16.302  305.650   22.400 -21.71179 27.70378 
1 1 1   14   16    5 o  315.481   13.945  1251.63  109.860  1297.37  133.469  1155.54  193.458  320.266   16.747  299.410   26.136 20.85562 31.04128 
1 1 1   14   16    6 o  340.317   14.109  1456.55  119.901  1407.94  145.575  1559.08  211.418  333.490   17.542  348.797   24.427 -15.30646 30.07331 
1 1 1   14   16    7 o  431.630   16.335  2348.63  176.065  2253.07  214.540  2545.75  308.121  421.638   20.376  444.525   27.899 -22.88687 34.54721 
1 1 1   14   16    8 o  316.988   13.895  1263.38  109.991  1271.15  133.622  1247.04  193.708  316.990   16.942  311.554   25.111 5.435211 30.29173 
1 1 1   14   16    9 o  200.749   11.683  507.376   58.316  528.670   70.050  459.299  105.255  204.607   13.790  188.726   22.796 15.88094 26.64231 
1 1 1   14   16   10 o  152.044   13.328  292.721   50.095  287.522   65.188  300.219   78.286  149.865   17.765  152.432   21.135 -2.567352 27.60923 
1 1 1   14   16   11 o  277.908   12.528  970.033   86.942  928.404  105.261  1059.40  154.227  271.000   15.620  287.994   21.602 -16.99396 26.65825 
1 1 1   14   16   12 o  425.848   16.723  2288.80  177.838  2266.46  217.013  2334.48  310.308  422.607   20.564  424.406   29.462 -1.798950 35.92850 
1 1 1   14   16   13 o  434.582   17.010  2385.31  184.595  2371.65  225.368  2413.16  321.777  432.087   20.887  430.981   30.087 1.106323 36.62632 
1 1 1   14   16   14 o  182.471   11.419  419.568   51.769  426.174   62.190  404.661   93.422  183.549   13.666  177.107   21.569 6.441879 25.53374 
1 1 1   14   16   15 o  290.066   11.492  1056.46   83.244  1060.77  117.915  1052.17  117.536  289.376   16.385  288.191   16.400 1.184937 23.18222 
1 1 1   14   16   16 o  130.854   9.7624  215.870   31.671  207.044   45.387  224.245   44.214  127.379   14.529  132.810   13.520 -5.431572 19.84624 
1 1 1   14   16   17 o  115.522   9.6802  168.499   27.668  174.246   39.898  163.176   38.402  116.809   13.954  112.995   13.903 3.813599 19.69793 
1 1 1   14   16   18 o  246.909   10.651  765.224   65.673  768.229   93.241  762.265   92.515  246.260   15.237  245.312   15.177 0.9475708 21.50583 
1 1 1   14   16   19 o  285.076   12.711  1022.54   90.489  1036.47  111.943  996.255  153.707  286.014   15.734  278.358   22.300 7.656036 27.29167 
1 1 1   14   16   20 o  623.326   28.085  5037.73  437.167  5352.51  621.137  4728.75  615.399  630.042   39.682  589.366   42.091 40.67560 57.84709 
1 1 1   14   16   21 o  293.168   22.567  1106.23  163.940   0.0000   0.0000  1106.23  163.940  ?   ?   293.168   22.567 0.000000 22.56666 
1 1 1   14   16   22 o  129.322   13.442  212.928   42.776  206.861   71.478  216.314   53.391  125.024   23.763  129.649   16.892 -4.624451 29.15541 
1 1 1   14   16   23 o  264.089   11.505  876.709   75.875  1072.39  138.623  793.009   90.662  289.720   19.270  250.248   14.571 39.47180 24.15902 
1 1 1   14   16   24 o  541.218   19.866  3732.18  268.491  4095.82  469.806  3555.81  327.187  555.448   34.035  525.247   24.945 30.20026 42.19741 
1 1 1   14   16   25 f  306.677   13.101  1184.91  100.332  1358.93  182.439  1109.46  120.130  324.835   22.632  295.589   16.338 29.24561 27.91318 
1 1 1   14   16   26 o  273.457   12.526  941.530   85.534  1002.23  158.364  916.529  101.634  278.540   22.973  268.861   15.200 9.679596 27.54590 
1 1 1   14   16   27 o  549.548   20.515  3858.02  281.535  4022.63  493.999  3778.83  342.623  547.121   36.364  540.648   25.378 6.472595 44.34373 
1 1 1   14   16   28 o  141.145   13.687  253.664   47.637  348.768   89.331  215.873   56.311  163.411   22.487  129.150   17.945 34.26134 28.76979 
1 1 1   14   16   29 o  210.676   15.542  564.998   81.188  471.995  128.196  627.280  104.908  188.312   28.123  220.968   19.203 -32.65649 34.05387 
1 1 1   14   16   30 o  259.685   15.177  856.938   97.991  992.392  152.965  762.660  127.614  276.822   22.317  242.883   21.254 33.93872 30.81901 
1 1 1   14   16   31 o  472.592   21.024  2872.53  248.111  3341.16  360.243  2449.63  342.215  502.591   28.824  427.041   32.330 75.55005 43.31337 
1 1 1   14   16   32 o  210.138   10.356  555.830   54.342  602.997   78.846  513.149   75.002  217.545   14.598  200.467   15.093 17.07788 20.99792 
1 1 1   14   16   33 o  297.760   12.434  1121.79   92.455  1235.74  132.685  1014.24  128.899  310.221   17.195  280.333   18.517 29.88776 25.26963 
1 1 1   14   16   34 o  137.579   10.546  240.285   35.957  292.997   50.232  184.894   51.492  151.278   13.437  118.613   17.945 32.66489 22.41834 
1 1 1   14   16   35 o  224.017   11.824  638.238   65.913  709.515   93.103  566.617   93.327  234.493   15.995  208.475   18.107 26.01750 24.15958 
1 1 1   14   16   36 o   74.585   12.439   72.648   22.352   64.652   28.157   86.272   36.756   69.400   16.491   79.798   18.761 -10.39756 24.97852 
1 1 1   14   16   37 o  166.968   11.573  356.664   47.958  394.381   64.345  309.529   71.932  174.262   14.931  152.222   19.361 22.03957 24.44970 
1 1 1   14   16   38 o  140.191   11.625  252.555   40.332  250.529   51.942  255.631   64.003  138.215   15.306  137.863   19.104 0.3515167 24.47974 
1 1 1   14   16   39 o  156.819   11.593  316.230   45.078  303.667   58.450  334.673   70.816  151.878   15.635  158.078   18.277 -6.199265 24.05141 
1 1 1   14   16   40 o   79.139   17.330   85.709   33.300   85.709   33.300   0.0000   0.0000   79.139   17.330  ?   ?  0.000000 17.33018 
1 1 1   14   17    0 o  458.720   18.158  2670.29  207.997  2801.47  253.743  2401.61  363.142  468.242   21.701  425.048   34.511 43.19388 40.76649 
1 1 1   14   17    1 o  138.322   12.069  242.333   41.269  277.981   48.192  144.298   79.919  148.030   13.175  103.926   29.450 44.10336 32.26222 
1 1 1   14   17    2 o  355.772   14.189  1594.91  126.057  1510.10  152.706  1776.33  223.341  344.848   17.793  371.522   24.205 -26.67453 30.04172 
1 1 1   14   17    3 o  547.857   20.605  3817.75  281.902  3772.87  343.765  3909.90  492.578  542.049   25.396  542.825   36.551 -0.7760620 44.50790 
1 1 1   14   17    4 o  354.959   26.271  1627.65  231.210  1627.65  231.210   0.0000   0.0000  354.959   26.271  ?   ?  0.000000 26.27072 
1 1 1   14   17    5 o  346.784   13.731  1513.39  118.907  1388.32  143.840  1783.32  211.317  330.904   17.469  373.245   22.781 -42.34091 28.70793 
1 1 1   14   17    6 o  698.824   25.719  6263.30  448.828  6256.65  548.944  6276.73  779.542  693.714   31.688  678.614   46.277 15.10028 56.08656 
1 1 1   14   17    7 o  283.479   12.297  1009.54   87.048  948.983  104.842  1143.93  156.181  273.953   15.388  299.307   21.029 -25.35458 26.05787 
1 1 1   14   17    8 o  195.655   10.766  481.648   52.400  462.816   62.179  527.796   97.337  191.428   13.086  203.170   19.422 -11.74223 23.41892 
1 1 1   14   17    9 o  305.980   13.956  1178.21  106.634  1296.33  129.834  933.388  186.922  320.095   16.297  267.721   28.393 52.37402 32.73720 
1 1 1   14   17   10 o  194.090   13.199  475.845   63.591  412.908   84.401  558.486   96.714  179.546   19.118  209.203   18.710 -29.65695 26.75051 
1 1 1   14   17   11 o  488.391   22.763  3042.13  277.622  2936.30  389.887  3150.98  395.404  473.254   33.201  490.839   32.442 -17.58490 46.41972 
1 1 1   14   17   12 o  622.234   22.439  4936.92  348.661  4726.06  426.003  5364.73  606.807  605.174   28.189  635.039   38.446 -29.86505 47.67310 
1 1 1   14   17   13 o  530.986   19.696  3579.26  261.160  3496.02  319.022  3748.38  454.723  522.453   24.452  533.598   34.308 -11.14471 42.12999 
1 1 1   14   17   14 o  336.964   14.058  1430.09  118.295  1388.83  143.741  1516.70  208.237  330.850   17.460  343.224   24.456 -12.37405 30.04871 
1 1 1   14   17   15 o  356.162   15.089  1600.19  134.199  1648.49  163.645  1501.02  234.501  360.205   18.252  339.769   27.884 20.43591 33.32678 
1 1 1   14   17   16 o  223.856   11.900  631.549   66.283  649.532   80.187  592.753  117.780  226.581   14.244  214.337   22.333 12.24347 26.48897 
1 1 1   14   17   17 o   87.720   9.4042   97.572   20.279  115.408   30.008   82.581   27.512   94.898   13.005   79.755   14.341 15.14358 19.35935 
1 1 1   14   17   18 o  246.305   9.9361  761.098   61.114  807.568   86.894  715.614   85.969  252.786   13.818  237.754   14.550 15.03122 20.06554 
1 1 1   14   17   19 o  209.907   13.704  557.528   71.437  568.076  106.602  548.930   96.245  210.178   20.575  207.068   18.818 3.109940 27.88279 
1 1 1   14   17   20 f  303.814   23.068  1189.45  173.702   0.0000   0.0000  1189.45  173.702  ?   ?   303.814   23.068 0.000000 23.06753 
1 1 1   14   17   21 o  217.096   14.692  597.563   79.179  734.182  113.039  465.970  110.941  239.570   19.052  189.041   24.045 50.52827 30.67835 
1 1 1   14   17   22 o  153.816   9.1279  297.711   34.904  316.535   50.827  280.912   48.016  158.013   12.996  148.785   13.055 9.228333 18.42137 
1 1 1   14   17   23 o  516.222   16.522  3374.78  212.980  3480.23  302.006  3270.45  300.400  520.661   23.228  504.349   23.852 16.31213 33.29319 
1 1 1   14   17   24 o  190.921   9.7065  458.548   46.125  449.256   67.025  466.907   63.572  188.132   14.376  192.028   13.340 -3.895416 19.61154 
1 1 1   14   17   25 o  348.255   12.618  1527.21  109.737  1538.79  156.678  1516.06  153.746  347.573   18.114  345.069   17.904 2.504059 25.46885 
1 1 1   14   17   26 o  117.386   9.6671  174.081   28.086  148.802   43.343  192.377   36.875  107.131   16.750  123.047   12.160 -15.91587 20.69841 
1 1 1   14   17   27 f  187.633   9.6736  443.034   45.172  427.667   67.208  455.697   61.007  183.379   14.803  189.725   12.954 -6.345795 19.67041 
1 1 1   14   17   28 o  212.573   9.3175  567.028   49.460  648.141   73.983  501.479   66.507  226.342   13.146  198.929   13.467 27.41232 18.81993 
1 1 1   14   17   29 o  310.595   11.102  1213.41   86.111  1360.68  125.153  1081.02  118.665  327.827   15.288  291.472   16.370 36.35486 22.39815 
1 1 1   14   17   30 o  126.218   9.3633  201.104   29.302  180.464   44.808  216.524   38.731  118.351   15.536  130.551   12.015 -12.19996 19.64026 
1 1 1   14   17   31 o  175.261   9.4544  386.993   41.225  427.756   61.108  352.945   55.849  183.480   13.430  166.547   13.546 16.93239 19.07521 
1 1 1   14   17   32 o  121.069   9.4159  185.351   28.244  211.104   40.664  161.348   39.258  128.603   12.834  111.919   14.379 16.68459 19.27336 
1 1 1   14   17   33 o  173.806   10.919  382.557   47.149  454.903   67.804  314.821   65.609  188.625   14.506  155.942   17.130 32.68243 22.44700 
1 1 1   14   17   34 o   76.274   18.234   77.918   34.260  103.585   96.407   74.208   36.653   91.097   32.966   74.346   19.500 16.75096 38.30151 
1 1 1   14   17   35 o  125.089   15.054  203.057   46.081  386.170  108.505  162.764   50.899  167.525   26.843  110.492   19.141 57.03304 32.96867 
1 1 1   14   17   36 o  114.981   11.033  169.168   31.290  177.970   41.952  158.132   46.974  116.907   14.695  109.033   17.872 7.873764 23.13738 
1 1 1   14   17   37 o   44.466   13.369   25.637   16.048   17.280   19.246   44.704   29.071   40.243   14.704   58.316   18.084 -18.07277 23.30754 
1 1 1   14   17   38 f  128.875   10.958  212.966   34.930  213.746   45.422  211.838   54.643  127.887   14.478  125.882   17.886 2.004425 23.01120 
1 1 1   14   17   39 o  111.126   11.563  159.530   31.617  162.134   41.052  155.733   49.568  110.716   15.253  106.756   19.304 3.960655 24.60274 
1 1 1   14   17   40 o   87.838   20.695  108.162   44.648   0.0000   0.0000  108.162   44.648  ?   ?    87.838   20.695 0.000000 20.69516 
1 1 1   14   18    0 o   73.187   19.944   70.577   37.444  111.225   47.543   4.1814   60.763   91.483   21.222   57.375   24.361 34.10707 32.30824 
1 1 1   14   18    1 o  191.767   11.808  464.289   56.272  501.936   66.717  371.493  104.746  199.089   13.499  167.795   25.826 31.29465 29.14166 
1 1 1   14   18    2 o  110.889   11.715  156.300   31.949  144.758   36.028  198.793   69.128  106.270   13.910  122.559   23.441 -16.28946 27.25773 
1 1 1   14   18    3 o  404.871   16.009  2072.82  161.861  2020.93  196.638  2181.86  285.050  398.458   19.762  409.228   28.063 -10.77051 34.32319 
1 1 1   14   18    4 o  246.245   15.149  768.289   92.700  768.289   92.700   0.0000   0.0000  246.245   15.149  ?   ?  0.000000 15.14868 
1 1 1   14   18    5 o  212.819   20.528  581.736  107.743  581.736  107.743   0.0000   0.0000  212.819   20.528  ?   ?  0.000000 20.52800 
1 1 1   14   18    6 o  351.097   15.008  1555.16  131.584  1615.46  159.911  1428.72  231.558  356.596   18.016  331.133   28.274 25.46329 33.52618 
1 1 1   14   18    7 o  343.056   14.539  1483.60  124.548  1453.90  151.083  1546.58  220.029  338.308   17.948  345.931   25.653 -7.623291 31.30843 
1 1 1   14   18    8 o  254.239   12.589  812.839   79.923  852.129   96.422  726.582  142.868  259.518   14.942  236.877   24.507 22.64087 28.70261 
1 1 1   14   18    9 o  305.960   13.277  1178.11  101.443  1146.92  122.841  1245.00  179.877  300.826   16.414  311.173   23.318 -10.34772 28.51596 
1 1 1   14   18   10 o  173.664   10.634  379.887   45.895  329.987   53.901  511.443   87.520  161.355   13.501  200.233   17.685 -38.87750 22.24962 
1 1 1   14   18   11 o  557.570   25.604  3997.46  356.495  3859.54  501.483  4138.36  506.880  537.911   37.569  557.994   36.579 -20.08337 52.43546 
1 1 1   14   18   12 o  326.205   14.362  1341.22  116.988  1354.59  142.224  1313.26  205.722  326.636   17.500  318.397   26.103 8.239777 31.42670 
1 1 1   14   18   13 o  333.266   14.381  1400.14  119.682  1431.40  145.441  1334.58  210.630  335.791   17.404  320.722   26.538 15.06888 31.73570 
1 1 1   14   18   14 o   95.023   12.434  115.457   28.796  121.489   32.923   95.823   59.402   97.230   13.960   85.712   25.709 11.51764 29.25521 
1 1 1   14   18   15 o  133.191   10.685  224.126   35.239  193.956   40.740  313.765   70.222  123.388   13.439  156.243   18.347 -32.85456 22.74269 
1 1 1   14   18   16 o  249.830   11.892  784.712   74.191  758.097   89.453  843.370  132.800  244.685   14.708  256.361   20.927 -11.67641 25.57840 
1 1 1   14   18   17 o  227.489   11.440  651.970   64.780  599.818   77.880  769.077  116.703  217.596   14.414  245.235   19.210 -27.63907 24.01694 
1 1 1   14   18   18 o   81.746   13.562   86.391   26.715   94.597   30.721   60.937   54.105   85.354   14.958   71.855   24.814 13.49847 28.97351 
1 1 1   14   18   19 o  250.044   22.014  805.648  136.054  805.648  136.054   0.0000   0.0000  250.044   22.014  ?   ?  0.000000 22.01389 
1 1 1   14   18   20 o  193.135   12.572  471.489   60.305  584.151   93.278  390.583   79.046  213.895   17.620  174.421   18.427 39.47391 25.49560 
1 1 1   14   18   21 o  407.840   13.356  2096.24  136.025  2302.50  193.083  1893.00  191.661  425.764   18.160  384.867   20.011 40.89706 27.02312 
1 1 1   14   18   22 o  308.873   11.381  1199.36   87.783  1292.36  125.032  1108.96  123.274  319.652   15.664  295.370   16.782 24.28223 22.95636 
1 1 1   14   18   23 o  177.931   9.6934  398.444   42.908  374.230   61.803  420.977   59.618  171.559   14.564  182.312   13.184 -10.75360 19.64489 
1 1 1   14   18   24 o  262.948   10.502  868.427   68.960  920.586   98.985  819.238   96.126  269.565   14.761  254.130   15.217 15.43399 21.20012 
1 1 1   14   18   25 f  268.877   11.004  908.642   73.882  868.048  105.997  946.999  103.036  261.287   16.327  273.285   15.157 -11.99847 22.27826 
1 1 1   14   18   26 o  552.069   17.838  3872.88  245.912  3817.07  348.763  3928.06  346.790  543.000   25.721  551.235   25.193 -8.235657 36.00319 
1 1 1   14   18   27 o  240.692   10.252  727.678   61.618  746.850   89.548  710.436   84.919  242.612   14.852  236.707   14.435 5.904602 20.71134 
1 1 1   14   18   28 o  409.097   14.152  2114.25  144.579  2101.90  206.186  2126.20  202.789  404.863   20.460  407.935   19.907 -3.071838 28.54650 
1 1 1   14   18   29 o  410.417   13.364  2126.16  136.969  2244.23  196.115  2013.72  191.380  419.479   18.722  397.092   19.300 22.38773 26.88857 
1 1 1   14   18   30 o  190.638   9.7327  457.738   46.179  451.023   68.848  463.230   62.262  188.173   14.770  191.110   13.126 -2.936218 19.75972 
1 1 1   14   18   31 o  145.384   9.1051  266.476   32.890  302.553   49.363  237.675   44.105  154.233   12.936  136.541   13.096 17.69231 18.40789 
1 1 1   14   18   32 o  227.372   9.8472  650.404   55.912  690.551   81.798  615.197   76.600  232.949   14.128  219.856   14.025 13.09297 19.90758 
1 1 1   14   18   33 o  294.368   11.967  1095.72   87.968  1096.58  126.073  1094.89  122.801  291.987   17.369  291.982   16.915 0.5615234E-02 24.24420 
1 1 1   14   18   34 o   92.349   10.461  108.991   23.699  110.572   32.082  107.093   35.159   92.108   14.421   90.148   16.214 1.959831 21.69968 
1 1 1   14   18   35 o   69.454   11.153   62.562   18.689   46.220   23.772   89.007   30.240   58.976   15.816   82.095   15.314 -23.11975 22.01497 
1 1 1   14   18   36 o   58.248   11.983   44.684   16.849   27.835   20.832   76.552   28.650   47.181   15.389   75.784   15.657 -28.60276 21.95409 
1 1 1   14   18   37 o   68.199   12.648   61.242   20.747   62.228   26.180   59.579   34.019   68.056   15.721   66.425   19.337 1.630753 24.92129 
1 1 1   14   18   38 o   55.312   18.203   39.231   29.121   89.915  111.405   35.514   30.170   86.785   34.451   53.715   18.530 33.07007 39.11797 
1 1 1   14   18   39 o   93.722   17.671  119.134   39.841  168.434  124.272  113.486   42.062  103.889   37.454   90.855   19.143 13.03363 42.06211 
1 1 1   14   18   40 o   81.986   19.478   93.455   39.287   0.0000   0.0000   93.455   39.287  ?   ?    81.986   19.478 0.000000 19.47752 
1 1 1   14   19    0 o  183.105   22.436  437.227  100.442   0.0000   0.0000  437.227  100.442  ?   ?   183.105   22.436 0.000000 22.43615 
1 1 1   14   19    1 o  118.308   16.148  180.567   46.462  181.065   60.218  179.835   73.037  117.160   21.370  115.605   25.937 1.554901 33.60682 
1 1 1   14   19    2 o  403.768   20.361  2088.73  204.633  2141.76  286.945  2033.86  291.908  403.927   28.633  392.645   29.998 11.28137 41.46977 
1 1 1   14   19    3 o  442.815   17.262  2488.82  190.886  2501.76  232.333  2461.93  334.856  442.222   21.039  431.524   31.287 10.69827 37.70282 
1 1 1   14   19    4 o  324.876   13.314  1330.44  108.012  1226.69  130.038  1561.27  193.974  310.642   16.826  348.254   22.424 -37.61252 28.03480 
1 1 1   14   19    5 o  497.132   34.602  3293.02  426.879  3293.02  426.879   0.0000   0.0000  497.132   34.602  ?   ?  0.000000 34.60175 
1 1 1   14   19    6 o  243.910   15.536  754.992   94.133  785.365  129.254  720.688  137.365  247.120   21.149  235.793   23.647 11.32654 31.72515 
1 1 1   14   19    7 o  545.336   20.143  3789.73  274.302  3697.55  334.679  3978.37  478.760  535.735   25.017  546.544   35.267 -10.80896 43.23856 
1 1 1   14   19    8 o  276.640   11.944  962.388   82.512  862.018   98.853  1192.95  149.826  260.806   15.245  305.527   19.743 -44.72156 24.94369 
1 1 1   14   19    9 o  281.905   13.298  1001.01   93.612  1048.53  113.201  898.205  166.488  287.579   15.824  262.794   25.699 24.78540 30.17978 
1 1 1   14   19   10 o  385.128   15.450  1873.91  148.583  1847.26  180.713  1929.54  261.044  381.242   18.982  385.177   27.317 -3.934845 33.26429 
1 1 1   14   19   11 o   59.096   15.304   45.755   22.764   40.691   25.003   70.292   55.039   56.271   16.634   75.491   25.034 -19.22043 30.05636 
1 1 1   14   19   12 o  164.477   14.395  343.794   58.529  434.515   77.600  224.079   89.142  184.466   17.038  129.047   28.429 55.41853 33.14422 
1 1 1   14   19   13 o  353.802   14.383  1579.19  127.075  1546.11  154.260  1649.04  224.150  348.702   17.774  356.904   25.314 -8.201904 30.93105 
1 1 1   14   19   14 o   70.481   14.317   64.891   24.338   61.508   26.840   80.545   57.732   68.398   15.999   79.725   25.587 -11.32679 30.17688 
1 1 1   14   19   15 o  519.450   20.000  3437.97  259.431  3547.52  317.070  3216.10  451.250  525.240   24.174  489.380   37.204 35.86060 44.36761 
1 1 1   14   19   16 o  366.994   14.389  1699.61  131.869  1590.40  160.027  1930.68  232.768  353.449   18.192  386.729   24.225 -33.28003 30.29548 
1 1 1   14   19   17 o  382.581   15.523  1850.46  148.300  1850.85  180.687  1849.68  259.595  381.457   18.968  376.483   27.809 4.973267 33.66214 
1 1 1   14   19   18 o  211.531   11.985  564.666   63.047  631.539   76.031  417.458  112.806  223.393   13.695  177.993   26.160 45.40019 29.52764 
1 1 1   14   19   20 f  133.776   21.785  234.547   70.272  234.547   70.272   0.0000   0.0000  133.776   21.785  ?   ?  0.000000 21.78526 
1 1 1   14   19   21 o  356.039   14.829  1601.59  131.840  1783.00  161.247  1235.73  228.987  374.895   17.224  305.771   30.392 69.12366 34.93319 
1 1 1   14   19   22 o  175.744   10.963  389.641   47.871  413.717   57.602  335.883   86.072  180.775   12.843  160.528   22.054 20.24774 25.52130 
1 1 1   14   19   23 o  500.847   16.108  3176.59  201.461  3293.53  285.536  3060.67  284.286  506.573   22.572  487.883   23.334 18.69046 32.46486 
1 1 1   14   19   24 o  361.430   12.639  1645.46  114.072  1747.66  162.316  1545.73  160.348  370.990   17.521  348.100   18.513 22.89026 25.48909 
1 1 1   14   19   25 o  211.115   10.522  559.948   55.473  519.418   79.957  597.562   77.026  201.915   15.988  217.074   14.289 -15.15819 21.44332 
1 1 1   14   19   26 o  381.516   12.793  1834.36  121.885  1906.11  173.746  1764.85  171.030  387.164   17.971  372.382   18.392 14.78226 25.71427 
1 1 1   14   19   27 o  457.969   15.013  2653.30  171.690  2707.25  244.135  2600.52  241.499  459.595   21.272  450.333   21.475 9.261658 30.22682 
1 1 1   14   19   28 f  348.239   12.765  1529.04  111.004  1473.84  158.702  1581.92  155.319  339.488   18.793  352.207   17.716 -12.71985 25.82711 
1 1 1   14   19   29 o  294.091   10.747  1087.76   78.924  1156.60  114.492  1025.42  108.945  301.789   15.242  284.059   15.416 17.72968 21.67864 
1 1 1   14   19   30 f  126.943   9.3007  203.435   29.278  210.384   45.094  198.371   38.495  128.163   14.336  124.786   12.522 3.376419 19.03451 
1 1 1   14   19   31 o  372.819   13.105  1757.16  122.009  1821.56  174.445  1695.48  170.710  377.277   18.516  363.364   18.878 13.91299 26.44308 
1 1 1   14   19   32 o  171.249   9.5275  369.967   40.582  414.125   59.629  331.865   55.389  180.355   13.334  161.208   13.895 19.14684 19.25782 
1 1 1   14   19   33 o  237.449   11.532  712.539   68.379  675.947   97.980  747.283   95.473  228.978   17.262  241.370   15.929 -12.39163 23.48887 
1 1 1   14   19   34 o  171.267   9.0944  370.395   38.756  430.675   55.323  312.306   54.309  183.948   12.112  155.958   14.097 27.98984 18.58556 
1 1 1   14   19   35 o   52.649   11.404   36.460   14.560   20.142   18.548   62.657   23.501   41.735   14.522   68.836   14.145 -27.10080 20.27190 
1 1 1   14   19   36 o   48.314   12.554   30.860   15.284   28.548   19.512   34.529   24.585   47.269   14.842   52.049   16.696 -4.779575 22.33934 
1 1 1   14   19   37 o   66.619   11.424   58.012   18.320   42.603   23.408   82.373   29.433   56.514   15.911   78.532   15.558 -22.01770 22.25393 
1 1 1   14   19   38 o   51.564   12.558   35.403   16.020   11.498   20.005   78.132   26.746   37.504   14.689   76.601   14.513 -39.09706 20.64957 
1 1 1   14   19   39 o   42.983   16.689   16.585   25.654   0.0000   0.0000   16.585   25.654  ?   ?    42.983   16.689 0.000000 16.68936 
1 1 1   14   20    0 o   91.470   18.295  110.365   40.330   98.037   50.151  132.930   67.851   85.642   22.974   99.149   26.776 -13.50699 35.28118 
1 1 1   14   20    1 o  174.639   23.097  399.896   98.257   0.0000   0.0000  399.896   98.257  ?   ?   174.639   23.097 0.000000 23.09734 
1 1 1   14   20    2 o  239.266   15.629  728.652   92.869  821.941  127.977  624.879  134.976  252.521   20.471  218.131   25.246 34.39001 32.50248 
1 1 1   14   20    3 o  176.655   14.909  397.608   65.157  467.155   87.792  312.324   97.219  190.557   18.690  153.035   26.393 37.52122 32.34035 
1 1 1   14   20    4 o  260.661   12.839  856.660   83.572  914.542  100.364  725.780  150.919  268.439   15.033  235.099   26.150 33.33943 30.16248 
1 1 1   14   20    5 o  485.463   18.899  3003.68  229.106  3055.84  279.232  2896.24  400.767  487.316   22.946  464.521   34.802 22.79544 41.68561 
1 1 1   14   20    6 o   79.745   22.630   83.896   47.156   83.896   47.156   0.0000   0.0000   79.745   22.630  ?   ?  0.000000 22.63010 
1 1 1   14   20    7 o  154.178   11.409  300.562   43.615  308.433   50.722  278.231   85.434  155.879   13.153  145.079   24.451 10.79942 27.76442 
1 1 1   14   20    8 o  228.308   11.948  657.699   67.882  676.149   80.913  613.851  124.738  231.029   14.092  217.350   23.348 13.67957 27.27122 
1 1 1   14   20    9 o  276.823   12.415  964.857   85.824  907.375  102.965  1095.70  155.343  267.402   15.486  291.857   21.465 -24.45511 26.46806 
1 1 1   14   20   10 o  270.974   12.507  924.570   84.630  911.595  101.673  953.837  152.704  268.102   15.249  271.754   22.710 -3.652039 27.35515 
1 1 1   14   20   11 o  221.965   12.162  621.883   67.158  663.994   80.458  525.150  121.945  228.952   14.142  200.380   24.908 28.57172 28.64230 
1 1 1   14   20   12 o  263.136   16.477  880.437  107.722  1087.85  148.724  651.542  156.238  291.190   20.586  221.905   28.879 69.28433 35.46486 
1 1 1   14   20   13 o  377.200   18.633  1809.70  175.510  1732.39  244.201  1892.30  252.420  364.509   27.020  381.235   26.683 -16.72598 37.97452 
1 1 1   14   20   14 o  170.857   10.650  368.114   45.215  333.676   52.770  463.219   87.695  162.204   13.141  189.956   18.731 -27.75110 22.88096 
1 1 1   14   20   15 o  146.340   11.177  270.737   40.536  261.594   46.981  297.369   80.185  143.470   13.263  150.934   21.915 -7.464386 25.61593 
1 1 1   14   20   16 o  293.756   12.605  1086.75   92.466  1016.46  111.385  1242.57  165.844  282.978   15.826  310.900   21.493 -27.92172 26.69123 
1 1 1   14   20   17 o  313.777   14.126  1242.72  110.684  1309.11  134.365  1102.56  195.231  320.907   16.826  290.206   27.259 30.70148 32.03376 
1 1 1   14   20   18 o  296.433   24.231  1139.30  177.798   0.0000   0.0000  1139.30  177.798  ?   ?   296.433   24.231 0.000000 24.23058 
1 1 1   14   20   19 o  195.814   20.491  494.778   98.716  494.778   98.716   0.0000   0.0000  195.814   20.491  ?   ?  0.000000 20.49142 
1 1 1   14   20   20 o  134.292   21.207  235.973   68.759  235.973   68.759   0.0000   0.0000  134.292   21.207  ?   ?  0.000000 21.20746 
1 1 1   14   20   21 o  246.591   12.165  765.515   74.910  824.154   90.778  640.364  132.619  255.074   14.309  221.620   24.366 33.45341 28.25670 
1 1 1   14   20   22 o   95.800   12.622  117.556   29.459  138.293   34.230   58.326   57.850  103.866   13.518   71.752   25.587 32.11369 28.93866 
1 1 1   14   20   23 o  352.249   14.563  1567.78  128.101  1618.95  156.450  1463.71  223.140  356.997   17.549  334.660   26.929 22.33737 32.14235 
1 1 1   14   20   24 o  174.161   11.011  382.828   47.642  410.238   57.756  324.470   84.275  179.954   12.939  157.655   22.006 22.29984 25.52804 
1 1 1   14   20   25 o  192.345   11.627  467.203   55.585  482.590   67.280  434.113   98.661  195.034   13.905  182.699   22.072 12.33427 26.08734 
1 1 1   14   20   26 o  324.678   13.353  1330.03  108.261  1381.60  132.537  1226.62  187.668  330.143   16.076  307.093   24.681 23.05045 29.45461 
1 1 1   14   20   27 o  236.801   9.5196  703.974   56.293  781.365   81.920  634.737   77.485  248.505   13.249  223.744   13.937 24.76100 19.22960 
1 1 1   14   20   28 o  277.341   10.609  967.118   73.477  1065.54  106.241  876.876  101.729  289.822   14.728  262.591   15.583 27.23102 21.44192 
1 1 1   14   20   29 o  207.923   13.427  548.316   69.341  564.488   97.610  531.839   98.523  209.423   18.867  202.960   19.687 6.462524 27.26795 
1 1 1   14   20   30 o   74.294   14.153   72.119   25.299   87.298   34.251   53.894   37.530   81.280   17.400   65.094   20.602 16.18584 26.96666 
1 1 1   14   20   31 o  208.160   13.273  550.354   68.635  541.706   95.038  559.782   99.227  204.783   18.794  208.003   19.324 -3.220657 26.95646 
1 1 1   14   20   32 o  409.579   20.077  2165.65  205.342  2165.75  288.275  2165.55  292.568  401.743   28.928  401.270   29.402 0.4730835 41.24698 
1 1 1   14   20   33 o  144.857   13.317  268.524   47.634  283.995   59.685  241.383   79.056  148.100   16.414  133.465   24.627 14.63443 29.59616 
1 1 1   14   20   34 o   87.570   15.800  101.086   33.281  130.827   37.149 -19.8118   74.900  100.037   15.362   57.538   25.665 42.49815 29.91160 
1 1 1   14   20   35 o  234.353   16.041  710.164   93.308  753.999  119.017  640.247  150.310  239.206   20.111  214.580   28.776 24.62589 35.10720 
1 1 1   14   20   36 f  193.666   16.470  488.923   78.894  525.590   91.185  379.749  157.342  199.774   18.488  155.024   40.278 44.75026 44.31869 
1 1 1   14   20   37 o  146.100   16.815  281.350   60.229  281.350   60.229   0.0000   0.0000  146.100   16.815  ?   ?  0.000000 16.81506 
1 1 1   14   20   38 o  138.660   16.803  254.787   56.993  254.787   56.993   0.0000   0.0000  138.660   16.803  ?   ?  0.000000 16.80277 
1 1 1   14   20   39 o   49.229   16.793   29.989   24.758   0.0000   0.0000   29.989   24.758  ?   ?    49.229   16.793 0.000000 16.79301 
1 1 1   14   21    0 o  142.993   15.510  262.562   54.495  276.716   70.027  240.830   86.774  145.635   19.766  133.334   26.987 12.30055 33.45173 
1 1 1   14   21    1 o  108.921   17.116  154.558   45.019  176.853   56.636  116.295   74.196  115.801   20.327   93.492   28.874 22.30851 35.31129 
1 1 1   14   21    2 o  145.978   24.136  282.944   84.909   0.0000   0.0000  282.944   84.909  ?   ?   145.978   24.136 0.000000 24.13605 
1 1 1   14   21    3 o  260.763   16.124  866.708  104.482  940.380  143.892  784.545  151.959  269.546   21.558  244.433   25.259 25.11259 33.20806 
1 1 1   14   21    4 o  164.810   14.980  346.752   60.978  371.071   80.673  314.342   93.133  169.317   19.432  153.823   25.112 15.49429 31.75250 
1 1 1   14   21    5 o  186.077   14.487  440.577   66.785  411.805   88.706  478.228  101.474  178.249   20.290  191.818   21.558 -13.56863 29.60448 
1 1 1   14   21    6 o  144.521   11.584  264.593   41.454  282.179   47.719  210.497   83.693  149.016   12.952  124.695   27.607 24.32116 30.49404 
1 1 1   14   21    7 o  168.941   19.741  369.356   81.714  369.356   81.714   0.0000   0.0000  168.941   19.741  ?   ?  0.000000 19.74133 
1 1 1   14   21    8 o   83.063   13.995   89.460   27.997  108.919   30.973   2.5611   65.453   91.864   13.939   58.960   25.164 32.90397 28.76723 
1 1 1   14   21    9 o  293.959   12.832  1089.42   94.194  1026.57  113.028  1232.30  170.417  284.169   15.993  308.949   22.238 -24.77979 27.39142 
1 1 1   14   21   10 o  231.234   12.571  675.705   72.316  753.055   86.655  498.251  131.253  243.729   14.300  193.684   27.946 50.04509 31.39190 
1 1 1   14   21   11 o  369.365   15.523  1727.25  143.180  1795.48  173.771  1582.98  252.676  375.492   18.532  346.375   29.493 29.11700 34.83234 
1 1 1   14   21   12 o  353.781   13.325  1578.74  117.723  1428.81  141.956  1908.94  210.663  335.084   17.021  385.100   21.997 -50.01645 27.81346 
1 1 1   14   21   13 o  302.564   15.703  1162.17  118.234  1013.35  161.492  1334.10  173.578  279.668   23.337  321.875   21.722 -42.20721 31.88206 
1 1 1   14   21   14 o  239.445   12.164  723.745   72.493  733.429   86.816  701.444  131.751  240.492   14.524  232.496   22.994 7.996552 27.19714 
1 1 1   14   21   15 o  149.892   11.501  284.275   42.719  319.115   49.849  187.938   82.892  158.645   12.689  117.739   28.499 40.90665 31.19635 
1 1 1   14   21   16 o   90.905   12.068  105.816   26.717   99.000   29.523  136.647   62.790   87.504   13.982  100.885   25.041 -13.38163 28.67986 
1 1 1   14   21   17 o  121.434   11.041  186.902   33.116  162.642   37.464  273.586   70.818  112.750   13.579  145.079   20.086 -32.32904 24.24557 
1 1 1   14   21   18 o  222.168   12.146  623.319   67.128  649.810   80.145  561.051  122.874  226.380   14.250  207.260   24.196 19.12047 28.08059 
1 1 1   14   21   19 o  354.587   26.486  1641.25  232.834  1641.25  232.834   0.0000   0.0000  354.587   26.486  ?   ?  0.000000 26.48619 
1 1 1   14   21   20 o  234.347   21.385  709.147  123.769  709.147  123.769   0.0000   0.0000  234.347   21.385  ?   ?  0.000000 21.38510 
1 1 1   14   21   21 o  255.383   12.221  821.377   77.937  894.722   94.282  663.106  138.497  265.763   14.258  225.164   25.056 40.59869 28.82932 
1 1 1   14   21   22 o  125.423   11.902  199.764   36.830  259.666   43.323   43.637   69.942  143.080   12.243   70.804   27.539 72.27593 30.13774 
1 1 1   14   21   23 o  322.682   14.017  1314.99  112.952  1452.93  137.761  1032.06  197.303  338.509   16.297  279.628   28.660 58.88101 32.96976 
1 1 1   14   21   24 o  179.025   11.057  404.561   49.191  420.673   58.629  366.248   90.409  182.204   12.970  167.538   22.153 14.66658 25.67062 
1 1 1   14   21   25 f  179.407   11.724  406.871   52.234  430.071   62.694  354.212   94.453  184.061   13.739  164.173   23.727 19.88783 27.41797 
1 1 1   14   21   26 o   78.201   14.522   79.734   27.315   88.231   31.600   54.623   54.323   82.069   15.994   69.453   24.792 12.61634 29.50362 
1 1 1   14   21   27 o  213.143   14.220  576.845   75.250  646.527  104.093  500.564  108.910  224.372   18.750  195.926   22.679 28.44669 29.42630 
1 1 1   14   21   28 o   97.698   13.718  122.889   32.545  118.111   43.076  129.244   49.679   94.590   18.897   98.615   20.827 -4.024574 28.12223 
1 1 1   14   21   29 o  258.136   14.797  846.998   94.984  876.480  133.866  817.106  134.796  260.409   20.758  250.978   21.722 9.431549 30.04540 
1 1 1   14   21   30 o  149.449   10.438  282.420   38.710  304.042   49.090  246.871   62.945  154.612   12.831  137.685   18.799 16.92662 22.75979 
1 1 1   14   21   31 f  109.504   9.2055  151.769   24.939  152.357   38.012  151.324   33.046  108.685   14.357  108.752   12.389 -0.6680298E-01 18.96360 
1 1 1   14   21   32 o  496.117   16.324  3145.58  202.239  3190.88  286.985  3100.90  285.042  493.845   23.271  486.656   23.455 7.188660 33.04064 
1 1 1   14   21   33 o  196.776   9.3351  487.644   45.871  484.388   65.766  490.730   64.013  194.733   13.610  196.157   13.144 -1.423569 18.92075 
1 1 1   14   21   34 o  157.630   9.7255  314.673   38.096  319.077   53.621  310.185   54.133  157.639   13.759  155.301   14.113 2.338028 19.70999 
1 1 1   14   21   35 f  230.828   10.238  674.075   59.013  701.890   81.739  643.792   85.288  233.802   14.066  223.273   15.391 10.52853 20.84988 
1 1 1   14   21   36 o  359.447   13.730  1656.67  123.243  1679.92  153.015  1613.74  207.941  359.415   17.049  344.590   24.321 14.82480 29.70131 
1 1 1   14   21   37 o  133.767   9.9355  228.129   32.952  209.593   43.451  253.218   50.553  126.916   13.939  139.308   14.756 -12.39194 20.29921 
1 1 1   14   21   38 o  164.926   17.571  361.367   71.253   0.0000   0.0000  361.367   71.253  ?   ?   164.926   17.571 0.000000 17.57129 
1 1 1   14   22    0 o  186.973   15.173  446.975   70.231  426.155   91.084  477.503  110.295  180.788   20.540  190.205   23.738 -9.417236 31.39070 
1 1 1   14   22    1 o  152.771   15.287  299.303   57.537  312.254   73.910  279.380   91.667  154.820   19.553  143.893   26.487 10.92677 32.92231 
1 1 1   14   22    2 o  278.117   16.591  988.465  114.699  1029.48  157.277  941.873  167.637  281.144   22.593  267.387   25.411 13.75699 34.00255 
1 1 1   14   22    3 o   76.050   27.233   66.899   65.593   0.0000   0.0000   66.899   65.593  ?   ?    76.050   27.233 0.000000 27.23257 
1 1 1   14   22    4 o  102.130   17.521  136.523   43.076  139.118   54.015  131.988   71.394  102.052   21.854   98.713   27.786 3.339058 35.35115 
1 1 1   14   22    5 o   84.586   19.067   95.017   39.311   95.703   48.540   93.711   67.014   84.606   22.561   85.213   27.590 -0.6072464 35.63999 
1 1 1   14   22    6 o  167.791   15.039  359.556   62.347  428.146   83.146  271.451   94.235  182.224   18.530  141.751   27.614 40.47250 33.25520 
1 1 1   14   22    7 o  278.837   13.183  981.846   91.791  1017.93  110.026  899.237  166.482  282.857   15.638  261.607   25.821 21.25040 30.18694 
1 1 1   14   22    8 o  301.525   23.838  1183.21  178.029  1183.21  178.029   0.0000   0.0000  301.525   23.838  ?   ?  0.000000 23.83816 
1 1 1   14   22    9 o  266.639   12.984  897.211   86.452  966.184  103.790  740.921  156.237  275.780   15.129  236.915   26.884 38.86519 30.84874 
1 1 1   14   22   10 f  356.170   15.256  1607.06  135.690  1707.12  164.428  1393.45  240.241  366.064   17.987  323.871   30.047 42.19373 35.01949 
1 1 1   14   22   11 o  245.273   12.662  760.573   77.290  825.179   92.472  610.824  140.786  254.999   14.582  215.008   26.803 39.99112 30.51328 
1 1 1   14   22   12 f  271.676   12.922  931.034   87.668  950.072  105.322  888.087  158.190  273.416   15.489  260.867   24.573 12.54843 29.04737 
1 1 1   14   22   13 o  278.789   13.295  980.937   92.560  1057.78  111.598  811.567  165.684  288.538   15.546  248.129   27.184 40.40913 31.31548 
1 1 1   14   22   14 o  330.931   17.677  1397.10  145.552  1418.89  201.066  1373.12  210.976  330.292   24.553  323.943   26.308 6.349579 35.98528 
1 1 1   14   22   15 o  272.949   11.675  937.897   79.578  883.761   95.034  1064.93  145.574  263.996   14.471  287.777   20.389 -23.78104 25.00231 
1 1 1   14   22   16 o  137.184   11.139  238.261   37.830  232.159   43.155  258.514   78.615  135.075   12.953  139.919   23.321 -4.843719 26.67641 
1 1 1   14   22   17 o  119.476   25.842  191.937   74.859   0.0000   0.0000  191.937   74.859  ?   ?   119.476   25.842 0.000000 25.84224 
1 1 1   14   22   18 o  206.744   14.196  542.609   72.846  542.609   72.846   0.0000   0.0000  206.744   14.196  ?   ?  0.000000 14.19578 
1 1 1   14   22   19 o  193.155   11.859  471.500   56.926  511.050   67.027  369.138  107.832  200.787   13.446  166.544   26.840 34.24289 30.01975 
1 1 1   14   22   20 o  310.245   24.327  1251.26  186.958  1251.26  186.958   0.0000   0.0000  310.245   24.327  ?   ?  0.000000 24.32662 
1 1 1   14   22   21 o  352.738   13.987  1571.82  123.205  1562.21  149.384  1592.27  217.874  350.666   17.059  349.740   25.114 0.9265137 30.35974 
1 1 1   14   22   22 o  102.713   11.991  134.624   30.176  140.917   34.380  113.505   62.979  104.838   13.442   92.178   26.151 12.66004 29.40291 
1 1 1   14   22   23 o   83.460   13.327   90.026   26.842   92.860   30.257   79.555   58.158   84.474   14.888   79.176   25.708 5.298042 29.70778 
1 1 1   14   22   24 f  227.808   11.756  655.165   66.652  712.547   79.779  522.543  121.285  237.189   13.525  199.456   24.892 37.73203 28.32947 
1 1 1   14   22   25 o  212.743   11.890  571.817   62.915  640.443   75.816  420.045  112.749  224.798   13.569  178.025   26.140 46.77351 29.45244 
1 1 1   14   22   26 o  192.229   11.358  466.741   54.280  495.626   65.173  401.341   98.066  197.701   13.278  175.029   22.993 22.67128 26.55167 
1 1 1   14   22   27 o  416.043   20.328  2219.39  211.195  2221.22  296.729  2217.52  300.659  409.691   29.195  408.996   29.639 0.6953125 41.60273 
1 1 1   14   22   28 o  156.514   11.130  309.941   43.216  324.535   52.626  279.722   75.729  159.731   13.315  146.033   21.401 13.69780 25.20524 
1 1 1   14   22   29 o  128.728   10.748  210.026   34.236  246.632   42.804  145.028   57.037  139.241   12.441  104.017   22.604 35.22345 25.80177 
1 1 1   14   22   30 f  286.039   12.288  1033.42   87.769  1124.20  108.626  862.694  148.967  297.631   14.615  256.527   23.516 41.10361 27.68774 
1 1 1   14   22   31 o  207.035   11.361  542.568   58.513  546.018   72.451  536.099   99.222  206.940   14.104  203.016   19.825 3.923538 24.32993 
1 1 1   14   22   32 o  252.477   11.802  806.284   74.409  832.134   91.361  755.353  128.239  255.314   14.388  239.914   21.638 15.40038 25.98498 
1 1 1   14   22   33 o  156.465   11.172  311.171   43.364  348.952   51.633  220.722   79.890  165.351   12.599  126.535   26.148 38.81635 29.02490 
1 1 1   14   22   34 o  187.375   10.671  445.614   49.725  518.713   57.918  240.656   96.982  201.937   11.533  129.697   30.463 72.23991 32.57281 
1 1 1   14   22   35 o  190.632   10.494  461.683   49.765  416.255   54.756  677.320  119.299  180.423   12.225  225.316   21.462 -44.89307 24.70001 
1 1 1   14   22   36 o  205.895   22.620  574.694  114.386  574.694  114.386   0.0000   0.0000  205.895   22.620  ?   ?  0.000000 22.62000 
1 1 1   14   22   37 o  294.527   15.402  1128.25  112.886  1287.14  168.120  997.805  152.335  308.402   21.974  270.635   22.752 37.76642 31.63032 
1 1 1   14   22   38 o   91.224   15.985  111.425   35.088   0.0000   0.0000  111.425   35.088  ?   ?    91.224   15.985 0.000000 15.98549 
1 1 1   14   23    0 o  287.195   16.804  1057.12  119.989  1036.67  162.346  1081.75  178.131  281.071   23.341  286.026   25.197 -4.955383 34.34643 
1 1 1   14   23    1 o  238.695   15.923  728.896   94.368  748.715  126.517  704.043  141.681  239.675   21.362  230.591   25.005 9.084000 32.88807 
1 1 1   14   23    2 o  292.143   17.375  1094.44  126.184  1192.63  172.519  981.494  185.041  302.057   23.046  271.161   27.716 30.89551 36.04573 
1 1 1   14   23    3 o  108.694   16.758  153.953   44.024  114.770   53.545  235.700   77.341   92.234   23.254  132.616   24.248 -40.38239 33.59581 
1 1 1   14   23    4 o  168.624   24.163  376.945   98.837   0.0000   0.0000  376.945   98.837  ?   ?   168.624   24.163 0.000000 24.16258 
1 1 1   14   23    5 o  131.641   15.885  223.368   51.164  270.137   65.398  149.572   82.148  144.174   18.598  104.580   29.935 39.59443 35.24209 
1 1 1   14   23    6 o  205.673   15.378  539.970   78.410  635.813  105.606  422.226  117.052  221.962   19.243  177.490   27.283 44.47163 33.38630 
1 1 1   14   23    7 o  234.870   15.445  703.195   90.079  724.297  121.874  677.787  133.733  236.423   20.857  227.358   23.913 9.064819 31.73070 
1 1 1   14   23    8 o  267.197   13.162  902.113   87.820  978.809  105.129  725.004  159.755  277.369   15.236  233.344   27.974 44.02460 31.85412 
1 1 1   14   23    9 o  133.207   19.926  232.095   64.246  232.095   64.246   0.0000   0.0000  133.207   19.926  ?   ?  0.000000 19.92600 
1 1 1   14   23   10 o   79.741   13.687   82.578   26.274   81.935   28.627   86.013   66.171   79.150   15.033   82.516   27.453 -3.366478 31.29960 
1 1 1   14   23   11 f  133.165   10.993  224.667   36.229  210.909   40.749  276.559   79.139  128.645   12.857  144.843   22.619 -16.19801 26.01774 
1 1 1   14   23   12 f  138.257   10.867  241.964   37.215  217.244   41.890  334.549   81.069  130.555   13.023  160.227   20.749 -29.67111 24.49679 
1 1 1   14   23   13 o  304.973   12.993  1174.04   98.952  1110.56  118.545  1319.89  179.692  295.330   16.135  319.109   22.698 -23.77856 27.84829 
1 1 1   14   23   14 o  366.199   15.580  1700.60  142.470  1809.38  172.943  1470.89  251.325  376.589   18.390  332.157   30.645 44.43173 35.73988 
1 1 1   14   23   15 o  218.593   14.333  606.945   77.805  580.252  102.716  642.879  119.178  212.140   19.611  222.613   21.715 -10.47229 29.25993 
1 1 1   14   23   16 o  343.909   26.884  1552.69  229.049   0.0000   0.0000  1552.69  229.049  ?   ?   343.909   26.884 0.000000 26.88446 
1 1 1   14   23   17 o  190.624   11.435  459.065   54.182  475.353   63.145  413.597  105.503  193.630   13.137  177.187   24.500 16.44308 27.79939 
1 1 1   14   23   18 o  135.448   11.538  232.622   38.653  250.099   43.795  171.033   82.214  140.272   12.638  112.017   29.121 28.25574 31.74514 
1 1 1   14   23   19 o  290.441   12.888  1064.25   93.472  1026.53  111.831  1151.70  170.263  284.084   15.827  297.971   23.062 -13.88675 27.97017 
1 1 1   14   23   20 o  156.618   19.873  318.445   75.977  318.445   75.977   0.0000   0.0000  156.618   19.873  ?   ?  0.000000 19.87349 
1 1 1   14   23   21 o  297.570   12.549  1116.54   93.251  1097.99  111.729  1159.12  169.290  294.020   15.270  299.041   22.843 -5.021576 27.47649 
1 1 1   14   23   22 o  268.118   11.579  905.166   77.527  893.709   92.633  931.956  141.651  265.542   14.019  268.623   21.291 -3.080597 25.49219 
1 1 1   14   23   23 o   97.605   12.035  121.807   28.713   97.495   32.140  217.930   63.907   86.464   15.452  128.932   20.538 -42.46830 25.70172 
1 1 1   14   23   24 o  141.533   11.400  253.790   39.951  262.798   45.651  224.320   82.571  143.762   12.852  129.026   26.514 14.73627 29.46404 
1 1 1   14   23   25 o  335.126   14.826  1422.39  124.076  1690.38  151.034  866.100  217.606  364.687   16.585  251.289   35.679 113.3976 39.34555 
1 1 1   14   23   26 o  236.298   15.261  710.770   89.571  762.164  121.291  649.122  132.841  243.032   20.168  222.518   24.302 20.51379 31.58006 
1 1 1   14   23   27 o  263.134   15.317  881.247  100.214  875.103  138.027  888.096  145.736  259.866   21.462  261.310   22.555 -1.444275 31.13396 
1 1 1   14   23   28 o  307.221   15.638  1202.06  119.579  1202.06  119.579   0.0000   0.0000  307.221   15.638  ?   ?  0.000000 15.63837 
1 1 1   14   23   29 o  183.352   10.816  424.914   49.301  443.973   60.462  387.101   85.164  186.928   13.034  172.372   20.166 14.55618 24.01196 
1 1 1   14   23   30 o  155.338   10.200  305.125   39.348  319.108   48.955  279.605   66.137  158.387   12.478  146.551   18.483 11.83551 22.30100 
1 1 1   14   23   31 o  245.382   11.505  760.774   70.501  733.016   86.816  814.528  120.811  239.594   14.580  250.493   19.466 -10.89928 24.32083 
1 1 1   14   23   32 o  241.130   14.650  744.080   87.796  762.865  126.516  726.630  121.935  240.999   21.239  235.314   20.970 5.685562 29.84746 
1 1 1   14   23   33 o  152.945   20.332  310.013   75.730  310.013   75.730   0.0000   0.0000  152.945   20.332  ?   ?  0.000000 20.33184 
1 1 1   14   23   34 o  341.167   16.780  1504.23  142.956  1504.23  142.956   0.0000   0.0000  341.167   16.780  ?   ?  0.000000 16.77968 
1 1 1   14   23   35 o  160.198   11.874  328.411   47.161  328.411   47.161   0.0000   0.0000  160.198   11.874  ?   ?  0.000000 11.87358 
1 1 1   14   23   36 o   70.957   15.595   67.598   26.880   67.598   26.880   0.0000   0.0000   70.957   15.595  ?   ?  0.000000 15.59524 
1 1 1   14   24    0 o  150.794   19.804  298.230   72.772  298.230   72.772   0.0000   0.0000  150.794   19.804  ?   ?  0.000000 19.80425 
1 1 1   14   24    1 o   97.618   18.733  126.360   44.006  127.441   51.966  123.619   82.736   97.235   21.925   95.813   30.618 1.421219 37.65832 
1 1 1   14   24    2 o  148.759   16.400  285.710   59.910  387.320   76.450  124.001   96.444  172.944   17.964   97.292   33.144 75.65162 37.69944 
1 1 1   14   24    3 o  211.273   15.588  571.316   81.661  614.845  107.742  512.554  125.183  217.517   20.062  195.706   26.279 21.81102 33.06119 
1 1 1   14   24    4 o  106.422   17.448  148.344   44.762  157.593   54.576  129.335   78.239  108.806   20.845   97.618   29.556 11.18874 36.16749 
1 1 1   14   24    5 o   95.811   29.311  123.858   76.665   0.0000   0.0000  123.858   76.665  ?   ?    95.811   29.311 0.000000 29.31103 
1 1 1   14   24    6 o   92.348   18.303  112.803   40.716  114.943   49.019  108.040   73.122   92.536   21.605   90.406   28.773 2.130371 35.98133 
1 1 1   14   24    7 o   82.811   19.224   91.380   38.989  120.095   47.026   28.234   69.735   94.877   20.451   66.305   26.932 28.57262 33.81664 
1 1 1   14   24    8 o   91.392   18.498  110.545   40.767  121.886   49.435   86.437   72.074   95.444   21.284   83.398   28.648 12.04620 35.68907 
1 1 1   14   24    9 o  176.692   14.848  398.718   64.908  404.683   84.360  390.062  101.619  176.638   19.447  171.585   24.404 5.052826 31.20471 
1 1 1   14   24   10 o  189.665   19.749  466.228   92.164  466.228   92.164   0.0000   0.0000  189.665   19.749  ?   ?  0.000000 19.74874 
1 1 1   14   24   11 o  233.628   11.669  688.065   68.076  670.302   79.885  735.180  130.104  229.706   13.993  237.632   22.181 -7.925476 26.22623 
1 1 1   14   24   12 o  124.481   11.939  197.136   36.658  218.982   41.221  114.517   80.161  131.092   12.753   93.442   30.167 37.65068 32.75183 
1 1 1   14   24   13 o  206.992   11.332  541.279   58.355  502.466   67.794  652.273  114.645  198.860   13.736  224.405   20.691 -25.54521 24.83578 
1 1 1   14   24   14 o   82.977   13.636   89.253   27.273   96.470   29.704   50.501   68.835   86.201   14.301   72.088   27.507 14.11311 31.00200 
1 1 1   14   24   15 o  126.949   11.742  204.781   36.801  190.631   41.406  257.988   80.292  122.024   13.833  139.321   23.941 -17.29703 27.65012 
1 1 1   14   24   16 o  236.054   15.162  709.223   88.901  720.553  118.124  694.420  135.012  236.218   20.220  230.408   23.809 5.809586 31.23603 
1 1 1   14   24   17 o  167.406   11.405  354.534   47.392  354.883   54.223  353.405   97.537  167.144   13.096  163.361   24.679 3.783218 27.93832 
1 1 1   14   24   18 o  207.434   11.669  543.762   60.202  538.401   70.300  558.506  116.584  205.928   13.750  206.784   22.965 -0.8553162 26.76660 
1 1 1   14   24   19 o  227.501   12.039  654.178   68.150  662.673   80.228  632.164  129.154  228.456   14.132  219.752   23.922 8.703369 27.78447 
1 1 1   14   24   20 o  170.411   11.096  367.040   46.961  357.588   53.683  397.857   96.928  167.833   12.908  174.214   22.829 -6.381027 26.22577 
1 1 1   14   24   21 o  214.393   20.416  594.539  107.983  594.539  107.983   0.0000   0.0000  214.393   20.416  ?   ?  0.000000 20.41599 
1 1 1   14   24   22 o  412.532   15.656  2159.43  161.287  2163.53  195.416  2150.67  285.654  411.359   19.023  403.427   28.539 7.931946 34.29804 
1 1 1   14   24   23 o  168.272   10.816  357.745   45.208  357.779   52.272  357.643   90.053  167.939   12.555  165.141   22.416 2.797638 25.69269 
1 1 1   14   24   24 o  223.925   12.369  634.422   68.899  716.638   81.528  428.995  128.873  237.663   13.797  177.985   30.066 59.67766 33.08057 
1 1 1   14   24   25 o  281.020   12.771  997.092   89.625  1064.32  107.530  844.109  162.207  289.385   14.931  253.033   26.043 36.35208 30.01932 
1 1 1   14   24   26 o   89.897   16.430  105.866   35.524  109.637   42.397   96.980   65.082   90.896   19.276   86.051   27.119 4.844894 33.27183 
1 1 1   14   24   27 o  202.376   11.517  517.946   57.961  544.442   68.812  453.237  107.534  207.054   13.380  185.421   23.771 21.63222 27.27825 
1 1 1   14   24   28 o  103.683   11.535  137.213   29.359  139.189   33.509  130.684   60.903  104.096   13.186   98.161   24.828 5.935234 28.11283 
1 1 1   14   24   29 o  119.750   10.882  182.225   32.186  200.002   38.302  139.508   59.373  125.186   12.416  101.462   23.838 23.72386 26.87757 
1 1 1   14   24   30 o  208.124   10.529  547.496   54.542  543.344   66.907  555.721   94.170  206.667   13.031  207.146   18.396 -0.4794159 22.54394 
1 1 1   14   24   31 o  104.733   20.027  146.542   50.468  146.542   50.468   0.0000   0.0000  104.733   20.027  ?   ?  0.000000 20.02659 
1 1 1   14   24   32 o  285.615   11.798  1033.81   84.150  1034.25  102.613  1032.93  147.051  284.260   14.504  280.259   21.168 4.001343 25.65989 
1 1 1   14   24   33 o  110.557   11.492  156.603   31.264  236.422   35.896 -94.1943   63.629  136.291   10.631   41.634   20.126 94.65726 22.76115 
1 1 1   14   24   34 o  412.996   16.113  2203.22  166.175  2229.94  201.120  2145.74  295.001  412.271   19.535  390.328   30.508 21.94257 36.22635 
1 1 1   14   25    0 o  137.120   17.010  244.676   56.994  309.588   70.332  120.512   97.271  153.872   18.687   95.786   33.260 58.08544 38.14996 
1 1 1   14   25    1 f  163.940   19.768  352.259   79.297  352.259   79.297   0.0000   0.0000  163.940   19.768  ?   ?  0.000000 19.76840 
1 1 1   14   25    2 o  194.186   15.633  484.162   75.167  502.147   96.237  456.025  120.373  196.134   19.926  183.527   27.078 12.60692 33.61956 
1 1 1   14   25    3 o  129.805   16.560  218.673   52.456  236.832   63.820  180.859   92.096  134.196   19.624  113.575   31.414 20.62160 37.04015 
1 1 1   14   25    4 o  129.605   15.876  217.246   50.308  187.869   60.820  280.900   89.526  118.762   21.290  144.068   25.834 -25.30582 33.47569 
1 1 1   14   25    5 o   84.315   19.548   95.091   40.358  117.413   47.893   40.416   74.953   93.515   21.020   70.815   28.211 22.69949 35.18150 
1 1 1   14   25    6 o   90.647   29.413  108.486   76.134   0.0000   0.0000  108.486   76.134  ?   ?    90.647   29.413 0.000000 29.41326 
1 1 1   14   25    7 o  269.416   16.499  929.373  110.470  961.570  149.466  890.612  164.000  271.353   22.253  259.223   25.673 12.13049 33.97488 
1 1 1   14   25    8 o  159.249   15.273  325.255   59.992  347.971   76.160  288.116   97.380  163.625   18.993  145.469   27.821 18.15607 33.68569 
1 1 1   14   25    9 o  264.321   16.025  892.766  105.272  868.540  141.730  922.579  157.228  258.009   22.214  265.021   24.018 -7.012207 32.71627 
1 1 1   14   25   10 o  317.170   17.741  1289.90  139.949  1326.37  192.201  1248.75  204.177  317.983   24.391  306.899   26.913 11.08356 36.32124 
1 1 1   14   25   11 o  281.288   22.926  1032.83  159.637  1032.83  159.637   0.0000   0.0000  281.288   22.926  ?   ?  0.000000 22.92598 
1 1 1   14   25   12 o  276.392   13.160  966.063   90.831  1015.67  108.151  847.324  167.331  282.345   15.397  252.608   26.942 29.73624 31.03140 
1 1 1   14   25   13 o  110.462   11.523  155.446   31.318  130.572   34.028  293.184   80.075  100.643   13.912  149.137   22.176 -48.49370 26.17842 
1 1 1   14   25   14 o  224.804   11.683  638.880   65.360  614.608   76.289  705.862  126.730  219.897   13.965  232.778   22.065 -12.88065 26.11306 
1 1 1   14   25   15 o  187.461   11.068  444.117   51.582  399.047   58.973  590.878  106.418  177.145   13.431  213.583   20.192 -36.43739 24.25119 
1 1 1   14   25   16 o  284.572   22.526  1053.24  158.769  1053.24  158.769   0.0000   0.0000  284.572   22.526  ?   ?  0.000000 22.52614 
1 1 1   14   25   17 o  180.888   11.625  414.079   52.233  433.235   60.119  355.093  105.498  184.710   13.119  162.721   26.903 21.98860 29.93120 
1 1 1   14   25   18 o  176.082   11.524  392.343   50.393  405.672   57.790  350.045  102.947  178.732   13.038  161.753   26.397 16.97957 29.44149 
1 1 1   14   25   19 o  105.427   11.988  141.921   31.001  132.397   33.774  192.874   78.118  101.435   13.683  119.147   26.893 -17.71217 30.17383 
1 1 1   14   25   20 o  327.858   14.111  1360.76  115.528  1362.16  138.467  1357.55  209.572  326.589   17.037  321.120   26.367 5.468781 31.39289 
1 1 1   14   25   21 o  309.215   24.058  1248.61  184.303  1248.61  184.303   0.0000   0.0000  309.215   24.058  ?   ?  0.000000 24.05764 
1 1 1   14   25   22 o  309.001   13.816  1208.18  106.611  1326.31  127.859  938.677  193.122  323.081   15.848  264.745   29.725 58.33627 33.68594 
1 1 1   14   25   23 o  283.692   12.554  1016.11   88.936  977.744  105.590  1109.77  164.989  277.138   15.317  292.005   22.807 -14.86734 27.47310 
1 1 1   14   25   24 f  274.775   12.779  953.742   87.684  975.649  104.111  900.287  162.633  276.883   15.115  261.584   25.209 15.29895 29.39297 
1 1 1   14   25   25 o   75.895   14.362   75.317   26.222   75.640   28.086   73.119   73.200   75.870   15.351   79.583   28.737 -3.713181 32.58012 
1 1 1   14   25   26 o  120.008   14.970  185.532   43.888  184.328   52.588  188.296   79.666  118.730   18.327  117.286   27.651 1.443672 33.17319 
1 1 1   14   25   27 o  269.164   12.868  916.371   86.493  1025.98  104.057  671.370  155.571  283.882   14.729  223.391   28.540 60.49040 32.11670 
1 1 1   14   25   28 o  227.050   11.762  652.743   66.461  701.407   79.524  540.028  121.028  234.836   13.619  201.737   24.529 33.09885 28.05631 
1 1 1   14   25   29 o  217.747   11.389  600.409   61.713  661.185   74.149  463.419  111.324  228.032   13.076  186.404   24.510 41.62852 27.77983 
1 1 1   14   25   30 f   84.560   10.709   91.656   22.106   94.991   26.432   83.897   40.322   85.662   12.745   78.935   20.332 6.727425 23.99610 
1 1 1   14   25   31 o   76.300   10.346   74.809   19.205  100.988   23.347   20.019   33.775   88.767   10.752   48.916   19.106 39.85120 21.92348 
1 1 1   14   25   32 o   85.697   9.4305   93.730   19.847   90.355   22.843  104.122   40.088   83.747   11.204   87.976   18.817 -4.229515 21.89962 
1 1 1   14   26    0 o   88.405   20.176  105.575   43.558  126.537   49.847   37.869   89.584   96.644   21.235   73.834   30.318 22.80952 37.01448 
1 1 1   14   26    1 o  136.738   16.699  243.379   55.836  266.649   67.591  193.374   99.081  142.195   19.552  116.228   32.740 25.96735 38.13395 
1 1 1   14   26    2 o  173.537   19.787  395.050   84.212  395.050   84.212   0.0000   0.0000  173.537   19.787  ?   ?  0.000000 19.78652 
1 1 1   14   26    3 o  121.147   17.151  191.815   50.437  199.068   60.090  174.523   92.785  122.398   20.376  111.193   31.810 11.20571 37.77600 
1 1 1   14   26    4 o  144.785   16.244  271.277   57.718  299.837   70.997  215.608   99.120  151.288   19.227  123.379   31.927 27.90943 37.26889 
1 1 1   14   26    5 o   92.320   18.759  113.486   41.771  101.553   48.226  149.330   83.583   86.642   22.191  103.729   30.343 -17.08706 37.59176 
1 1 1   14   26    6 f  164.588   15.399  348.159   62.556  351.193   78.121  342.736  104.437  163.947   19.462  158.670   27.345 5.276581 33.56353 
1 1 1   14   26    7 o  183.775   25.558  452.440  114.118   0.0000   0.0000  452.440  114.118  ?   ?   183.775   25.558 0.000000 25.55840 
1 1 1   14   26    8 o  124.380   16.065  200.422   48.733  179.901   58.896  244.973   86.781  116.257   21.062  133.976   26.874 -17.71890 34.14405 
1 1 1   14   26    9 o  257.302   16.235  847.856  103.779  866.601  138.866  824.143  156.186  257.599   21.792  249.202   25.456 8.397583 33.50917 
1 1 1   14   26   10 o  316.616   18.055  1288.79  142.160  1372.88  194.371  1192.07  208.457  323.135   24.265  298.292   28.325 24.84293 37.29719 
1 1 1   14   26   11 o  101.163   17.597  134.448   42.839  142.459   51.054  115.391   78.748  103.419   20.493   93.166   29.881 10.25329 36.23315 
1 1 1   14   26   12 o   88.748   21.388  105.783   46.843  105.783   46.843   0.0000   0.0000   88.748   21.388  ?   ?  0.000000 21.38810 
1 1 1   14   26   13 f  163.836   11.735  340.424   47.691  366.923   54.155  248.858  100.666  169.866   12.862  133.944   30.747 35.92252 33.32838 
1 1 1   14   26   14 o  184.093   24.797  449.852  111.095   0.0000   0.0000  449.852  111.095  ?   ?   184.093   24.797 0.000000 24.79678 
1 1 1   14   26   15 o   66.298   15.391   58.050   24.990   58.050   24.990   0.0000   0.0000   66.298   15.391  ?   ?  0.000000 15.39066 
1 1 1   14   26   16 o  218.825   11.960  606.078   65.108  613.005   75.707  586.407  127.584  219.565   13.879  210.673   24.721 8.891418 28.35090 
1 1 1   14   26   17 o  320.856   18.105  1320.83  144.472  1403.51  196.823  1224.25  212.732  327.355   24.250  302.984   28.450 24.37143 37.38229 
1 1 1   14   26   18 o  324.806   14.306  1337.35  116.034  1388.61  139.025  1219.67  210.659  329.568   16.950  302.622   28.201 26.94574 32.90265 
1 1 1   14   26   19 o  115.679   11.255  170.203   32.102  153.070   34.754  269.769   83.781  109.299   12.987  142.093   24.496 -32.79385 27.72598 
1 1 1   14   26   20 f   70.049   14.264   64.376   24.104   61.685   25.408   88.591   76.218   68.391   15.264   84.758   29.440 -16.36660 33.16225 
1 1 1   14   26   21 o  125.206   11.271  199.141   34.861  197.099   37.991  210.023   87.706  124.334   12.402  123.621   28.925 0.7128372 31.47107 
1 1 1   14   26   22 o  102.563   19.844  139.446   48.987  139.446   48.987   0.0000   0.0000  102.563   19.844  ?   ?  0.000000 19.84401 
1 1 1   14   26   23 o  309.564   12.694  1211.12   98.128  1128.86  116.024  1417.80  183.907  297.540   15.671  330.061   22.446 -32.52109 27.37508 
1 1 1   14   26   24 o   70.878   14.356   65.938   24.539   53.697   25.713  190.918   82.161   63.727   16.140  117.881   28.275 -54.15353 32.55696 
1 1 1   14   26   25 o  312.137   14.248  1236.02  111.060  1354.88  133.041  962.772  201.713  325.575   16.417  266.449   30.889 59.12582 34.98032 
1 1 1   14   26   26 o   34.015   13.811   6.0853   18.329   7.6918   19.005 -15.3089   69.355   35.293   14.156   56.542   24.986 -21.24896 28.71780 
1 1 1   14   26   27 o  278.574   13.462  984.036   93.648  1125.61  112.407  662.827  169.313  296.948   15.210  219.382   31.835 77.56543 35.28209 
1 1 1   14   26   28 o   89.212   12.019  102.418   26.094   99.658   28.198  118.871   68.844   87.695   13.293   93.333   27.605 -5.637596 30.63903 
1 1 1   14   26   29 o  167.167   10.953  354.489   45.471  389.928   53.396  260.983   86.735  175.009   12.296  138.138   26.100 36.87157 28.85165 
1 1 1   14   26   30 o  144.223   16.941  270.964   59.852  270.964   59.852   0.0000   0.0000  144.223   16.941  ?   ?  0.000000 16.94122 
1 1 1   14   26   31 o  163.429   9.9344  338.527   40.351  335.291   49.058  345.296   70.949  162.029   12.214  162.469   17.778 -0.4398346 21.56920 
1 1 1   14   26   32 o  133.023   12.325  227.037   40.475  265.732   55.352  182.570   59.337  142.842   15.781  116.073   21.254 26.76860 26.47264 
1 1 1   14   27    0 o  161.376   16.812  339.479   66.756  418.934   82.419  187.945  113.821  178.560   18.765  113.122   35.887 65.43828 40.49651 
1 1 1   14   27    1 o   80.814   20.213   88.573   40.686   86.771   45.481   95.794   91.034   79.857   22.071   87.576   31.982 -7.719444 38.85814 
1 1 1   14   27    2 o  141.987   16.791  262.777   58.381  307.610   70.737  166.997  103.392  152.947   18.924  108.124   34.193 44.82321 39.08044 
1 1 1   14   27    3 o   91.282   21.790  113.357   48.981  113.357   48.981   0.0000   0.0000   91.282   21.790  ?   ?  0.000000 21.78972 
1 1 1   14   27    4 o  144.734   15.874  271.268   56.433  248.988   66.819  326.695  105.392  137.124   20.111  153.520   28.542 -16.39674 34.91541 
1 1 1   14   27    5 o  116.664   17.400  178.519   49.140  186.927   57.893  156.849   92.946  118.475   20.299  105.677   32.263 12.79733 38.11776 
1 1 1   14   27    6 o  247.774   17.201  791.972  105.772  941.676  140.391  595.433  160.860  268.148   21.137  206.486   32.251 61.66219 38.56046 
1 1 1   14   27    7 o  141.829   15.604  259.793   54.352  225.277   64.937  340.548   99.327  130.324   20.641  158.490   25.998 -28.16606 33.19601 
1 1 1   14   27    8 o  169.816   27.076  391.797  110.963   0.0000   0.0000  391.797  110.963  ?   ?   169.816   27.076 0.000000 27.07606 
1 1 1   14   27    9 o  153.512   16.502  304.648   62.266  407.352   78.563  131.149  102.111  177.221   18.002   99.468   34.103 77.75287 38.56286 
1 1 1   14   27   10 o  293.774   18.155  1112.78  132.531  1331.22  180.858  859.436  194.768  318.524   22.890  249.872   31.945 68.65279 39.29968 
1 1 1   14   27   11 o  251.201   16.786  810.445  104.691  928.059  140.119  661.813  157.515  266.733   21.211  220.669   29.310 46.06415 36.17977 
1 1 1   14   27   12 o  187.199   15.327  449.097   71.022  461.292   90.492  429.535  114.610  188.262   19.533  178.628   26.497 9.633835 32.91819 
1 1 1   14   27   14 o  209.303   12.090  555.381   62.919  565.592   71.425  520.003  132.945  210.794   13.642  196.271   27.911 14.52293 31.06639 
1 1 1   14   27   15 o  281.103   12.553  999.370   88.121  916.891  103.039  1223.95  170.028  267.952   15.465  306.143   22.396 -38.19067 27.21653 
1 1 1   14   27   16 o  177.518   11.953  399.762   52.678  427.922   59.735  301.261  111.720  183.399   13.130  147.212   31.351 36.18672 33.98958 
1 1 1   14   27   17 o  174.465   11.295  385.508   48.946  360.298   54.824  484.526  108.651  168.209   13.156  191.682   23.169 -23.47318 26.64383 
1 1 1   14   27   18 o  237.967   15.937  724.486   94.159  768.562  122.926  661.912  146.468  243.292   20.422  222.548   26.901 20.74448 33.77494 
1 1 1   14   27   19 o  109.421   11.767  152.829   31.648  150.173   34.048  169.700   85.811  108.228   12.849  110.708   30.202 -2.479454 32.82122 
1 1 1   14   27   20 o  137.224   11.005  238.869   37.394  220.439   40.821  335.028   93.241  131.463   12.588  158.533   24.330 -27.07014 27.39326 
1 1 1   14   27   21 o  133.022   11.075  224.603   36.454  208.887   39.644  310.630   92.751  127.944   12.570  152.151   25.300 -24.20694 28.25057 
1 1 1   14   27   22 o  129.430   11.427  212.962   36.553  218.685   39.751  181.631   93.009  130.988   12.296  114.175   31.565 16.81350 33.87590 
1 1 1   14   27   23 o   66.560   19.838   57.966   35.451   57.966   35.451   0.0000   0.0000   66.560   19.838  ?   ?  0.000000 19.83780 
1 1 1   14   27   24 o  153.079   11.181  297.183   42.444  291.574   46.457  325.500  104.392  151.352   12.401  154.445   28.102 -3.093033 30.71679 
1 1 1   14   27   25 o  118.559   11.507  179.128   33.640  182.371   36.109  157.808   92.570  119.473   12.278  106.641   32.118 12.83202 34.38508 
1 1 1   14   27   26 o  258.347   13.471  849.212   86.605  982.790  102.607  518.319  161.493  277.423   14.865  191.226   35.112 86.19640 38.12942 
1 1 1   14   27   27 o  144.717   14.496  269.220   51.683  259.934   62.857  288.601   90.808  140.995   18.283  145.646   25.917 -4.650375 31.71717 
1 1 1   14   27   28 o  134.848   11.254  231.509   37.550  252.872   42.249  151.186   81.924  140.759   12.138  103.854   29.943 36.90461 32.30967 
1 1 1   14   27   29 o  125.137   10.887  199.503   33.683  217.674   38.035  133.453   72.514  130.534   11.796   97.775   28.165 32.75889 30.53578 
1 1 1   14   27   30 o   74.350   16.047   73.695   28.920   73.695   28.920   0.0000   0.0000   74.350   16.047  ?   ?  0.000000 16.04693 
1 1 1   14   27   31 o  120.715   9.7260  185.317   29.070  191.419   34.829  171.302   52.781  122.253   11.545  113.042   19.396 9.210556 22.57214 
1 1 1   14   28    0 f   89.971   33.003  106.668   97.100   0.0000   0.0000  106.668   97.100  ?   ?    89.971   33.003 0.000000 33.00346 
1 1 1   14   28    1 o   63.909   20.632   53.116   37.497   63.969   41.350   2.8847   88.960   69.296   21.581   66.025   28.763 3.271027 35.95870 
1 1 1   14   28    2 o   49.255   19.116   21.490   33.645   27.732   36.322 -16.2355   89.297   52.822   20.023   63.085   28.090 -10.26253 34.49556 
1 1 1   14   28    3 o  107.877   18.187  154.683   47.251  161.529   54.033  132.432   97.417  109.462   20.521   97.829   33.311 11.63279 39.12478 
1 1 1   14   28    4 o  172.115   17.139  385.725   72.683  519.459   90.828  147.602  121.199  199.350   18.455  103.724   37.031 95.62595 41.37475 
1 1 1   14   28    5 o   87.644   21.297  104.501   46.154  104.501   46.154   0.0000   0.0000   87.644   21.297  ?   ?  0.000000 21.29724 
1 1 1   14   28    6 o  187.755   15.719  454.700   73.021  465.138   91.253  436.118  121.755  188.234   19.705  177.727   28.389 10.50705 34.55766 
1 1 1   14   28    7 o  187.225   16.548  453.326   76.572  553.973   96.935  286.306  124.871  205.997   19.060  139.899   35.643 66.09836 40.41876 
1 1 1   14   28    8 o  224.577   16.377  649.971   91.211  714.601  117.998  554.028  143.770  233.560   20.437  200.348   29.630 33.21205 35.99476 
1 1 1   14   28    9 o  179.454   27.296  439.106  118.465   0.0000   0.0000  439.106  118.465  ?   ?   179.454   27.296 0.000000 27.29590 
1 1 1   14   28   10 o  106.861   17.867  150.553   45.994  155.386   53.565  136.987   89.734  107.737   20.662   99.827   31.885 7.909126 37.99400 
1 1 1   14   28   11 o  249.947   16.854  804.347  104.585  897.889  138.095  678.531  160.156  261.836   21.305  222.649   29.534 39.18703 36.41660 
1 1 1   14   28   12 o  145.127   29.755  292.916  104.213   0.0000   0.0000  292.916  104.213  ?   ?   145.127   29.755 0.000000 29.75467 
1 1 1   14   28   13 o  102.590   17.905  138.837   44.202  148.554   50.670  107.897   90.416  105.599   19.946   91.784   32.055 13.81534 37.75411 
1 1 1   14   28   14 o  130.976   19.160  225.419   60.813  225.419   60.813   0.0000   0.0000  130.976   19.160  ?   ?  0.000000 19.15971 
1 1 1   14   28   15 o  247.607   12.937  778.935   79.711  832.853   92.867  628.037  155.359  255.455   14.619  214.390   29.827 41.06479 33.21666 
1 1 1   14   28   16 o  298.300   13.724  1129.48  102.230  1155.96  120.793  1062.64  191.922  300.428   16.160  281.306   27.679 19.12158 32.05154 
1 1 1   14   28   17 o  190.543   12.001  460.773   56.814  489.928   64.423  358.763  120.505  196.166   13.228  160.650   31.162 35.51622 33.85395 
1 1 1   14   28   18 o  129.113   11.713  212.288   37.354  221.830   40.606  159.772   95.260  131.835   12.483  107.257   32.644 24.57721 34.94954 
1 1 1   14   28   19 o  173.038   14.024  382.597   60.080  320.987   71.124  536.063  112.253  157.039   18.491  201.650   22.686 -44.61092 29.26722 
1 1 1   14   28   20 o  105.213   11.712  141.528   30.250  127.657   32.131  249.695   89.724   99.520   13.259  134.926   27.561 -35.40564 30.58438 
1 1 1   14   28   21 o   94.078   12.178  113.731   27.939  114.101   29.469  110.446   87.840   94.078   12.882   92.333   31.631 1.745018 34.15325 
1 1 1   14   28   22 o  180.434   11.440  412.819   51.280  414.978   57.326  404.171  114.714  180.562   12.797  172.473   27.563 8.089600 30.38829 
1 1 1   14   28   23 o  276.357   22.258  1001.96  152.302  1001.96  152.302   0.0000   0.0000  276.357   22.258  ?   ?  0.000000 22.25778 
1 1 1   14   28   24 o  216.368   11.759  593.760   63.298  574.058   71.637  663.916  135.179  212.185   13.591  223.216   24.663 -11.03050 28.16023 
1 1 1   14   28   25 o  149.607   11.267  284.442   41.782  284.717   45.546  282.980  104.973  149.426   12.316  142.020   30.509 7.406174 32.90083 
1 1 1   14   28   26 o   67.054   13.219   59.041   21.348   61.299   22.083   26.826   83.428   68.311   13.424   69.826   29.019 -1.514603 31.97401 
1 1 1   14   28   27 o  119.674   14.936  185.732   43.664  167.316   50.314  241.917   87.882  112.363   18.581  131.840   27.580 -19.47734 33.25465 
1 1 1   14   28   28 f  175.761   10.772  392.278   47.050  377.769   53.115  445.156  101.396  171.984   12.452  182.296   22.771 -10.31142 25.95260 
1 1 1   14   28   29 o   86.234   10.936   95.653   23.020   87.667   24.562  153.334   66.008   82.161   12.354  104.757   25.478 -22.59592 28.31507 
1 1 1   14   28   30 o  187.738   17.965  462.614   83.196  462.614   83.196   0.0000   0.0000  187.738   17.965  ?   ?  0.000000 17.96539 
1 1 1   14   28   31 o   66.705   9.7355   57.448   15.739   55.235   17.552   66.533   35.561   65.049   11.210   69.998   19.578 -4.949623 22.56011 
1 1 1   14   29    0 o  167.358   18.029  372.830   74.160  532.641   91.599   68.782  126.345  199.969   18.555   84.949   35.542 115.0201 40.09372 
1 1 1   14   29    1 o   74.227   21.481   75.834   42.093   74.051   46.746   83.476   96.783   73.630   22.948   83.505   32.418 -9.875343 39.71867 
1 1 1   14   29    2 o   58.717   20.495   42.150   36.959   57.091   40.432 -33.7885   91.151   65.908   21.437   60.454   27.512 5.453682 34.87735 
1 1 1   14   29    3 f   97.480   19.251  128.581   45.200  144.425   51.105   71.654   96.870  102.948   20.598   81.664   32.217 21.28357 38.23922 
1 1 1   14   29    4 o   69.338   20.395   64.720   37.671   71.185   41.376   33.395   91.070   72.527   21.387   72.435   30.230 0.9234619E-01 37.02991 
1 1 1   14   29    5 o  163.726   16.394  349.189   66.127  389.295   79.930  262.197  117.717  171.804   18.945  132.474   35.044 39.33066 39.83697 
1 1 1   14   29    6 o  205.208   20.221  556.423  102.274  556.423  102.274   0.0000   0.0000  205.208   20.221  ?   ?  0.000000 20.22099 
1 1 1   14   29    7 o  179.011   17.406  417.778   76.824  576.499   96.450  142.321  127.061  209.938   18.590  102.872   37.751 107.0664 42.07957 
1 1 1   14   29    8 o  144.229   15.747  269.909   55.794  252.460   65.662  315.234  105.824  138.029   19.600  149.749   29.348 -11.71927 35.29166 
1 1 1   14   29    9 o  119.428   16.730  186.772   48.525  177.791   55.750  214.841   98.560  115.334   20.087  122.229   31.938 -6.895279 37.72929 
1 1 1   14   29   10 o  103.577   18.733  142.791   46.669  166.742   53.763   69.579   93.997  111.695   20.010   81.981   31.914 29.71404 37.66875 
1 1 1   14   29   11 f  121.505   17.330  193.553   51.093  181.905   59.451  226.463   99.934  116.396   21.236  125.856   31.788 -9.460045 38.22903 
1 1 1   14   29   12 o  139.760   16.302  253.619   55.825  268.638   65.622  214.277  106.205  143.007   18.834  121.911   33.741 21.09589 38.64116 
1 1 1   14   29   13 o  134.014   16.989  234.083   55.579  260.748   63.666  148.669  113.947  141.011   18.529  104.357   36.011 36.65394 40.49841 
1 1 1   14   29   14 o  117.437   16.373  179.878   46.710  173.259   53.578  200.848   95.363  114.244   19.479  118.907   31.583 -4.662086 37.10641 
1 1 1   14   29   15 o  205.204   19.761  550.290  100.009  550.290  100.009   0.0000   0.0000  205.204   19.761  ?   ?  0.000000 19.76083 
1 1 1   14   29   16 o  289.719   13.430  1066.40   97.165  1058.03  113.756  1088.98  186.848  287.171   15.925  284.725   26.587 2.446228 30.99150 
1 1 1   14   29   17 o   98.617   12.310  125.023   29.655  112.768   31.260  235.248   93.750   93.220   13.850  129.631   29.610 -36.41161 32.68895 
1 1 1   14   29   18 f  151.907   11.861  293.720   44.635  321.129   49.088  162.854  107.260  158.717   12.486  107.941   34.900 50.77608 37.06646 
1 1 1   14   29   19 o  107.363   12.072  147.698   31.805  148.108   33.748  144.448   95.112  107.334   12.846  102.290   32.843 5.044113 35.26580 
1 1 1   14   29   20 o  270.357   16.681  940.512  112.066  949.154  146.059  928.143  174.741  268.730   21.957  262.394   27.056 6.336395 34.84452 
1 1 1   14   29   21 o   81.095   13.074   85.488   25.576   95.669   26.716 -26.2257   88.502   85.943   12.842   61.907   27.736 24.03547 30.56441 
1 1 1   14   29   22 o  189.829   11.663  457.690   55.018  468.978   61.758  414.280  121.107  191.782   12.972  173.232   29.022 18.55016 31.78928 
1 1 1   14   29   23 o  165.334   11.057  347.069   45.387  329.369   49.647  437.133  111.990  160.680   12.471  179.695   25.688 -19.01523 28.55523 
1 1 1   14   29   24 o   36.524   14.774   7.6875   20.893   7.6875   20.893   0.0000   0.0000   36.524   14.774  ?   ?  0.000000 14.77435 
1 1 1   14   29   25 o  135.725   10.922  234.486   36.703  226.075   39.149  295.566  105.501  133.012   11.912  144.596   30.192 -11.58461 32.45756 
1 1 1   14   29   26 f  191.381   11.279  465.640   53.664  443.878   59.698  557.258  122.491  186.324   12.910  203.010   24.669 -16.68640 27.84307 
1 1 1   14   29   27 o  194.232   11.379  480.131   54.951  481.304   61.751  475.665  120.457  193.978   12.820  185.768   26.736 8.209976 29.65124 
1 1 1   14   29   28 o  157.525   10.835  316.022   42.364  309.848   46.811  343.964   99.584  155.584   12.145  157.439   26.254 -1.855667 28.92692 
1 1 1   14   29   29 o   71.146   11.140   65.757   19.142   57.068   19.901  173.069   69.939   65.846   12.562  110.738   25.774 -44.89264 28.67258 
1 1 1   14   29   30 f   63.329   15.187   53.796   23.706   64.309   25.676  -6.9456   61.718   69.293   15.252   53.776   23.677 15.51722 28.16413 
1 1 1   14   29   31 o  126.839   8.3540  204.004   26.312  192.623   31.636  229.548   47.395  122.708   10.423  132.614   14.551 -9.906235 17.89841 
1 1 1   14   30    0 o   32.829   14.941 -14.1628   26.888 -22.1981   27.884   92.231  101.465   31.548   14.665   83.554   32.970 -52.00646 36.08373 
1 1 1   14   30    1 o   57.020   19.791   40.980   34.441   42.871   36.612   26.446  101.517   58.348   20.397   71.526   30.942 -13.17773 37.06026 
1 1 1   14   30    2 o   67.474   20.521   62.240   37.653   78.655   41.029 -25.3919   94.797   75.134   21.034   61.981   28.149 13.15250 35.13955 
1 1 1   14   30    3 f   58.991   27.057 -38.7414   90.448   0.0000   0.0000 -38.7414   90.448  ?   ?    58.991   27.057 0.000000 27.05677 
1 1 1   14   30    4 o  109.285   17.926  160.210   47.225  164.102   53.345  146.111  101.542  109.666   20.224   99.536   34.009 10.12932 39.56771 
1 1 1   14   30    5 o   75.585   20.079   78.348   38.542   74.540   42.164   97.705   95.057   73.784   21.542   87.031   32.518 -13.24767 39.00625 
1 1 1   14   30    6 o   86.170   19.246  101.089   40.369   92.457   44.344  142.862   97.554   81.892   21.434   99.461   33.337 -17.56924 39.63327 
1 1 1   14   30    7 o  116.501   19.603  182.439   55.004  182.439   55.004   0.0000   0.0000  116.501   19.603  ?   ?  0.000000 19.60264 
1 1 1   14   30    8 o  101.658   18.860  138.805   46.116  180.806   52.145 -11.9890   98.804  116.483   18.549   66.746   29.643 49.73710 34.96793 
1 1 1   14   30    9 o  104.384   18.592  145.703   46.687  187.585   53.136   3.8981   97.774  118.789   18.516   69.149   30.138 49.63993 35.37162 
1 1 1   14   30   10 o   87.003   19.912  102.732   42.325  137.769   47.213 -40.6847   95.521  101.233   19.382   61.645   28.096 39.58747 34.13280 
1 1 1   14   30   11 o   65.257   20.567   55.698   37.431   72.663   40.881 -32.3057   93.107   73.389   21.150   62.092   28.077 11.29718 35.15169 
1 1 1   14   30   13 o  249.828   18.552  813.882  114.913  1079.94  151.675  455.400  176.060  286.023   21.390  172.008   41.472 114.0150 46.66352 
1 1 1   14   30   14 f  111.760   17.237  164.506   46.560  179.398   52.920  113.483   97.954  116.247   18.878   93.226   33.290 23.02114 38.27023 
1 1 1   14   30   15 o  166.532   16.837  360.428   69.057  472.236   85.133  145.336  118.080  190.263   18.138  103.205   36.583 87.05781 40.83232 
1 1 1   14   30   16 f  149.525   18.529  293.547   67.705  293.547   67.705   0.0000   0.0000  149.525   18.529  ?   ?  0.000000 18.52944 
1 1 1   14   30   17 o   62.397   15.009   51.745   23.101   53.155   23.883   31.277   90.982   63.214   15.295   72.782   30.281 -9.568649 33.92488 
1 1 1   14   30   18 o  110.509   11.927  156.559   32.392  158.059   34.297  144.170   98.561  110.875   12.611  101.693   33.489 9.182289 35.78497 
1 1 1   14   30   19 o   63.976   14.272   54.221   22.222   47.681   22.888  161.601   92.739   59.901   15.259  106.590   32.158 -46.68832 35.59430 
1 1 1   14   30   20 o   99.056   12.350  126.402   29.885  136.220   31.440   34.434   96.224  102.848   12.498   74.850   31.141 27.99830 33.55580 
1 1 1   14   30   21 o  202.493   11.347  520.935   57.145  470.356   63.263  745.167  133.202  191.760   13.293  236.550   22.833 -44.79097 26.42104 
1 1 1   14   30   22 o  138.536   10.995  244.421   37.723  231.267   40.374  334.838  105.852  134.437   12.158  154.885   28.415 -20.44827 30.90664 
1 1 1   14   30   23 o  166.165   11.570  351.828   47.711  370.480   52.356  260.465  115.873  170.283   12.397  132.863   34.587 37.42065 36.74186 
1 1 1   14   30   24 o   83.726   12.187   90.878   24.732   95.432   25.694   33.406   91.273   85.795   12.348   72.833   30.318 12.96229 32.73638 
1 1 1   14   30   25 o   64.657   12.868   55.089   20.046   50.938   20.479  150.339   98.092   61.982   13.604  102.352   33.395 -40.36961 36.05955 
1 1 1   14   30   26 o  247.227   11.891  777.731   73.410  718.101   83.114  989.308  156.557  236.254   14.153  270.884   23.373 -34.63022 27.32394 
1 1 1   14   30   27 f   56.909   12.682   42.923   17.562   41.467   17.900   80.481   90.881   55.871   13.063   82.538   31.579 -26.66706 34.17455 
1 1 1   14   30   28 o   98.959   15.752  129.597   37.622  109.984   41.309  224.983   91.099   89.930   18.990  124.049   29.785 -34.11864 35.32346 
1 1 1   14   30   29 o  104.439   10.097  139.640   26.005  128.082   27.372  246.773   83.334   99.698   11.187  131.742   26.252 -32.04358 28.53678 
1 1 1   14   30   30 o   99.643   9.8553  127.200   24.201  124.528   26.877  138.649   55.638   98.233   11.154   99.269   22.910 -1.035927 25.48074 
1 1 1   14   30   31 o   52.066   10.592   35.739   13.303   33.674   14.397   47.800   34.792   50.333   11.680   60.398   19.897 -10.06554 23.07226 
1 1 1   14   31    0 o   60.597   19.829   50.519   34.575   63.809   36.594 -60.0428  105.545   66.995   20.198   58.553   27.633 8.442669 34.22741 
1 1 1   14   31    1 f   88.746   19.163  110.789   41.225  111.736   44.583  105.205  108.265   88.455   20.572   85.311   33.931 3.143295 39.68065 
1 1 1   14   31    2 o   64.950   20.032   58.429   35.724   62.610   38.008   26.739  104.631   67.013   20.661   71.115   31.081 -4.102379 37.32150 
1 1 1   14   31    3 o  109.487   18.391  163.953   48.501  195.553   54.475   43.123  106.523  119.511   18.880   74.909   32.040 44.60223 37.18924 
1 1 1   14   31    4 f   48.523   23.575 -125.8252   90.214   0.0000   0.0000 -125.8252   90.214  ?   ?    48.523   23.575 0.000000 23.57541 
1 1 1   14   31    5 o  134.053   17.685  240.832   57.755  314.061   67.901   49.230  109.834  153.085   18.113   77.795   32.875 75.29034 37.53498 
1 1 1   14   31    6 o  138.869   17.272  256.656   58.602  312.720   68.567  104.714  112.878  152.900   18.323   89.608   34.948 63.29154 39.46013 
1 1 1   14   31    7 o  132.765   17.200  234.133   55.685  282.931   64.758   95.675  109.082  145.625   18.206   87.716   34.315 57.90824 38.84553 
1 1 1   14   31    8 o  126.088   19.299  214.104   58.833  214.104   58.833   0.0000   0.0000  126.088   19.299  ?   ?  0.000000 19.29935 
1 1 1   14   31    9 o   92.471   18.825  116.038   41.992  119.771   46.155   98.100  101.175   93.444   20.356   87.923   33.396 5.520935 39.11045 
1 1 1   14   31   10 o  132.941   17.058  233.269   55.324  269.415   63.944  125.665  110.328  142.405   18.413   95.714   35.169 46.69164 39.69749 
1 1 1   14   31   11 o  177.022   19.217  415.689   83.585  415.689   83.585   0.0000   0.0000  177.022   19.217  ?   ?  0.000000 19.21669 
1 1 1   14   31   12 o  102.277   18.033  139.923   44.374  154.825   49.493   78.849  100.194  107.283   19.178   84.025   32.883 23.25776 38.06682 
1 1 1   14   31   13 o   96.217   33.697  128.512   99.948   0.0000   0.0000  128.512   99.948  ?   ?    96.217   33.697 0.000000 33.69689 
1 1 1   14   31   14 o  222.396   17.007  644.366   93.736  739.641  118.937  488.175  152.285  236.290   20.355  181.880   34.797 54.40970 40.31313 
1 1 1   14   31   15 o  141.775   16.307  262.648   56.681  291.873   66.029  180.796  110.503  148.789   18.147  110.658   35.387 38.13081 39.76872 
1 1 1   14   31   16 o  127.608   16.316  213.290   50.802  233.073   58.111  149.154  104.633  132.844   17.979  102.240   34.524 30.60372 38.92528 
1 1 1   14   31   17 o  109.658   18.493  160.399   48.840  160.399   48.840   0.0000   0.0000  109.658   18.493  ?   ?  0.000000 18.49327 
1 1 1   14   31   18 o   35.895   13.965   10.565   17.990   8.4365   18.332   66.077   93.622   35.024   13.952   80.265   31.670 -45.24106 34.60743 
1 1 1   14   31   19 o   60.839   14.526   49.305   21.764   49.972   22.357   37.209   95.155   61.221   14.789   74.463   30.973 -13.24177 34.32275 
1 1 1   14   31   20 o  189.768   11.803  459.461   55.657  464.229   61.499  437.884  130.837  190.317   13.018  174.852   31.105 15.46538 33.71896 
1 1 1   14   31   21 o  162.586   15.769  343.788   63.219  370.024   74.548  276.606  119.293  167.704   18.087  135.748   34.974 31.95627 39.37447 
1 1 1   14   31   22 o  230.755   12.094  679.803   69.446  652.404   78.079  783.556  151.941  225.227   13.951  238.853   25.888 -13.62593 29.40797 
1 1 1   14   31   23 o   91.869   11.475  108.884   25.751   99.469   26.666  239.164   99.191   87.462   12.570  127.648   31.347 -40.18677 33.77308 
1 1 1   14   31   24 o  120.900   10.995  187.140   32.832  185.356   34.605  203.229  103.926  120.126   11.684  116.257   33.785 3.868431 35.74793 
1 1 1   14   31   25 o  164.122   17.619  355.443   71.081  355.443   71.081   0.0000   0.0000  164.122   17.619  ?   ?  0.000000 17.61930 
1 1 1   14   31   26 o  141.612   10.603  256.169   37.222  251.229   39.432  296.573  112.765  139.994   11.378  140.507   32.744 -0.5130615 34.66492 
1 1 1   14   31   27 f  146.793   10.678  275.484   38.873  260.267   41.310  393.128  114.863  142.317   11.728  164.864   28.957 -22.54718 31.24160 
1 1 1   14   31   28 o  138.754   14.740  251.948   50.290  223.684   56.918  352.541  107.379  129.149   18.149  155.671   28.679 -26.52226 33.93959 
1 1 1   14   31   29 o   86.990   10.276   97.580   21.891   98.553   23.170   89.498   66.805   87.267   10.868   80.287   27.581 6.980782 29.64488 
1 1 1   14   31   30 f   88.634   10.066  101.242   21.885   97.602   23.698  122.338   57.047   86.684   11.210   92.045   24.418 -5.360580 26.86795 
1 1 1   14   31   31 o   63.988   10.294   53.473   15.891   52.974   16.695   58.290   51.842   63.518   10.919   67.270   24.198 -3.752045 26.54697 
1 1 1   14   32    0 o   68.832   19.536   69.331   35.140   71.867   37.079   46.966  110.121   69.840   20.147   70.977   31.419 -1.137329 37.32375 
1 1 1   14   32    1 o   45.810   17.929   20.939   29.789   20.939   29.789   0.0000   0.0000   45.810   17.929  ?   ?  0.000000 17.92932 
1 1 1   14   32    2 o  160.206   17.064  350.930   67.215  385.004   78.273  255.243  131.168  165.984   19.241  114.815   38.655 51.16908 43.17927 
1 1 1   14   32    3 o  110.402   19.473  171.392   51.724  240.119   57.859 -102.1187  115.423  132.048   18.017   57.217   27.520 74.83060 32.89321 
1 1 1   14   32    4 o  116.870   19.125  189.777   53.884  259.744   60.786 -66.8973  116.425  137.729   18.113   61.342   28.971 76.38721 34.16737 
1 1 1   14   32    5 o   57.084   26.620 -48.7435   93.069   0.0000   0.0000 -48.7435   93.069  ?   ?    57.084   26.620 0.000000 26.62005 
1 1 1   14   32    6 o  114.539   17.347  177.796   48.063  182.965   53.659  156.823  108.089  115.172   19.343   98.798   35.003 16.37361 39.99202 
1 1 1   14   32    7 o  165.079   18.125  366.981   73.489  514.378   89.465   61.209  128.856  195.363   18.561   82.211   35.203 113.1516 39.79695 
1 1 1   14   32    8 o  122.525   17.286  201.652   51.420  227.598   58.402  112.193  108.442  129.618   18.574   89.620   34.447 39.99834 39.13533 
1 1 1   14   32    9 o   81.270   20.476   92.209   41.537   92.209   41.537   0.0000   0.0000   81.270   20.476  ?   ?  0.000000 20.47596 
1 1 1   14   32   10 f   78.081   20.178   84.664   39.628   84.664   39.628   0.0000   0.0000   78.081   20.178  ?   ?  0.000000 20.17843 
1 1 1   14   32   11 o  168.321   17.885  376.818   74.025  515.572   89.846   83.545  130.621  196.722   18.507   88.114   36.440 108.6077 40.87011 
1 1 1   14   32   12 o   55.966   18.992   39.405   31.664   54.907   33.489 -91.3493   97.257   63.855   19.338   55.004   26.125 8.850983 32.50340 
1 1 1   14   32   13 o   51.320   18.104   31.269   28.887   13.787   30.252  211.970   97.259   44.332   17.832  118.468   32.084 -74.13567 36.70689 
1 1 1   14   32   14 o   68.965   29.927   12.758   95.557   0.0000   0.0000   12.758   95.557  ?   ?    68.965   29.927 0.000000 29.92715 
1 1 1   14   32   15 o   89.140   17.934  107.470   38.539  105.769   41.683  117.485  101.148   87.903   19.499   92.329   33.712 -4.426628 38.94530 
1 1 1   14   32   16 f   44.038   16.804   18.479   25.692   14.265   26.703   70.985   94.256   42.698   16.893   80.403   31.761 -37.70546 35.97365 
1 1 1   14   32   17 o   99.538   17.092  132.413   40.955  143.997   44.875   74.664  100.199  103.547   18.009   82.364   32.679 21.18296 37.31294 
1 1 1   14   32   18 o   76.444   18.809   79.809   35.660   79.809   35.660   0.0000   0.0000   76.444   18.809  ?   ?  0.000000 18.80906 
1 1 1   14   32   19 o  169.236   11.891  367.114   49.934  387.641   54.575  261.588  123.740  173.622   12.675  129.327   36.643 44.29501 38.77364 
1 1 1   14   32   20 o  170.763   11.377  373.002   48.239  364.279   52.337  422.245  124.349  168.316   12.542  170.469   30.322 -2.152908 32.81383 
1 1 1   14   32   21 o  166.158   11.232  353.124   46.332  340.402   49.951  431.507  123.986  162.706   12.387  172.583   29.849 -9.876678 32.31732 
1 1 1   14   32   22 f  112.358   16.779  167.876   45.636  190.184   50.548   69.545  106.126  119.435   17.464   82.035   33.258 37.39923 37.56474 
1 1 1   14   32   23 o   63.018   13.203   52.807   20.113   54.337   20.537   16.933   99.440   63.923   13.299   70.550   30.572 -6.627373 33.33941 
1 1 1   14   32   24 o  130.190   11.132  217.593   35.844  235.546   37.938   68.356  109.385  135.427   11.322   81.978   33.563 53.44960 35.42099 
1 1 1   14   32   25 o  112.883   11.413  164.315   31.731  165.974   33.267  147.578  105.656  113.290   11.939   99.031   34.648 14.25886 36.64688 
1 1 1   14   32   26 o   35.987   13.596   12.537   16.712   12.537   16.712   0.0000   0.0000   35.987   13.596  ?   ?  0.000000 13.59586 
1 1 1   14   32   27 o   64.819   12.449   55.699   19.419   56.803   19.767   25.202  103.914   65.446   12.552   72.134   31.255 -6.687531 33.68147 
1 1 1   14   32   28 o   74.319   11.372   72.259   20.434   66.931   21.205  141.560   76.479   71.180   12.379   96.827   29.201 -25.64701 31.71632 
1 1 1   14   32   29 o   41.548   15.870   16.797   22.928   15.285   23.648   40.518   93.667   41.198   16.016   71.782   30.348 -30.58485 34.31523 
1 1 1   14   32   30 o   36.148   11.793   16.333   12.233   18.006   12.585 -12.3138   52.075   37.599   11.934   47.486   21.275 -9.886761 24.39313 
1 1 1   14   32   31 o   50.566   21.382   11.606   46.507   0.0000   0.0000   11.606   46.507  ?   ?    50.566   21.382 0.000000 21.38180 
1 1 1   14   32   32 o   62.226   15.531   53.101   24.056   0.0000   0.0000   53.101   24.056  ?   ?    62.226   15.531 0.000000 15.53051 
1 1 1   14   33    0 o   41.858   17.041   14.946   27.999   28.521   28.988 -173.8395  108.102   47.887   17.945   46.880   23.339 1.006401 29.44020 
1 1 1   14   33    1 o   81.744   20.064  100.315   40.653  127.048   43.591 -78.1320  112.625   92.751   19.442   55.542   26.832 37.20927 33.13501 
1 1 1   14   33    2 o  160.502   19.784  372.074   77.616  372.074   77.616   0.0000   0.0000  160.502   19.784  ?   ?  0.000000 19.78390 
1 1 1   14   33    3 o   58.095   19.093   47.346   32.042   48.889   33.507   30.848  109.549   58.948   19.532   68.680   30.808 -9.732029 36.47750 
1 1 1   14   33    4 o   60.651   19.199   51.949   32.591   54.144   34.200   30.249  107.516   61.782   19.679   69.119   30.796 -7.337170 36.54702 
1 1 1   14   33    5 o  118.388   17.508  193.958   50.198  208.691   55.424  126.693  118.423  122.005   18.795   87.730   35.284 34.27457 39.97793 
1 1 1   14   33    6 o   77.106   32.182   72.645  103.228   0.0000   0.0000   72.645  103.228  ?   ?    77.106   32.182 0.000000 32.18201 
1 1 1   14   33    7 o  103.979   18.553  150.469   46.407  183.852   51.359   1.9676  108.323  115.209   18.476   67.207   30.347 48.00143 35.52924 
1 1 1   14   33    8 o   95.099   18.758  126.111   42.965  140.569   47.198   56.194  103.794  100.091   19.585   75.401   31.916 24.69035 37.44608 
1 1 1   14   33    9 o   81.671   19.823   94.225   40.019   94.225   40.019   0.0000   0.0000   81.671   19.823  ?   ?  0.000000 19.82253 
1 1 1   14   33   10 o  137.990   18.578  259.652   62.389  259.652   62.389   0.0000   0.0000  137.990   18.578  ?   ?  0.000000 18.57759 
1 1 1   14   33   11 f  115.543   17.399  180.699   48.645  211.146   54.399   59.172  108.681  124.739   17.983   78.119   32.840 46.62019 37.44178 
1 1 1   14   33   12 o   91.974   18.050  116.006   39.976  126.692   43.162   51.529  106.021   95.934   18.689   76.570   32.326 19.36381 37.33904 
1 1 1   14   33   13 o   67.598   18.731   63.078   32.712   68.074   34.597   20.943  100.474   70.069   19.202   70.252   30.587 -0.1833878 36.11488 
1 1 1   14   33   14 o  105.506   17.889  151.036   45.448  186.437   50.098 -13.5614  108.024  117.598   17.601   67.138   30.312 50.46017 35.05107 
1 1 1   14   33   15 o   77.459   32.045   58.064  101.073   0.0000   0.0000   58.064  101.073  ?   ?    77.459   32.045 0.000000 32.04543 
1 1 1   14   33   16 o  124.400   16.439  206.081   49.818  223.336   55.576  135.510  112.392  128.953   17.727   95.576   35.429 33.37726 39.61617 
1 1 1   14   33   17 o   89.629   17.618  109.291   38.028  121.083   40.922   34.673  102.940   94.288   18.037   73.697   31.509 20.59157 36.30615 
1 1 1   14   33   18 o  108.021   16.967  156.610   44.258  179.297   48.798   51.408  105.081  115.499   17.464   77.211   32.367 38.28780 36.77756 
1 1 1   14   33   19 o  109.749   17.683  162.478   46.817  162.478   46.817   0.0000   0.0000  109.749   17.683  ?   ?  0.000000 17.68322 
1 1 1   14   33   20 o  126.830   11.503  207.430   36.037  211.339   37.971  171.975  114.369  127.839   12.036  104.416   36.075 23.42339 38.03013 
1 1 1   14   33   21 o  150.199   11.178  289.888   41.624  292.600   44.410  270.284  119.401  150.620   11.904  129.467   35.753 21.15216 37.68249 
1 1 1   14   33   22 f   50.837   13.761   34.582   17.897   32.530   18.169  101.593  103.820   49.426   14.054   86.974   33.629 -37.54758 36.44739 
1 1 1   14   33   23 o   70.823   17.976   69.098   31.847   73.690   33.459   24.877  103.835   73.042   18.364   71.855   31.189 1.186913 36.19361 
1 1 1   14   33   24 o  154.348   11.430  306.925   43.743  315.965   46.830  245.050  122.516  156.334   12.089  121.235   37.047 35.09887 38.97013 
1 1 1   14   33   25 o  192.933   11.719  479.816   56.194  493.532   61.732  413.493  135.743  195.130   12.739  160.867   34.802 34.26334 37.06054 
1 1 1   14   33   26 o  167.013   11.717  360.306   48.557  376.561   52.457  263.038  128.320  170.411   12.412  123.740   37.932 46.67118 39.91114 
1 1 1   14   33   27 o   34.411   12.220   13.451   13.181   12.031   13.356   66.842   81.892   33.522   12.249   74.628   29.565 -41.10584 32.00154 
1 1 1   14   33   28 o  108.617   10.124  152.070   27.144  134.815   28.731  295.514   82.837  101.744   11.510  143.208   24.014 -41.46362 26.62969 
1 1 1   14   33   29 o   50.690   16.639   33.538   24.338   26.488   26.220   77.411   65.411   47.498   17.191   74.629   27.131 -27.13102 32.11944 
1 1 1   14   33   30 o   70.811   10.622   65.694   18.204   60.630   19.256  108.263   55.831   67.600   11.839   85.215   24.762 -17.61456 27.44680 
1 1 1   14   33   31 o  110.395   19.540  170.948   51.895   0.0000   0.0000  170.948   51.895  ?   ?   110.395   19.540 0.000000 19.53965 
1 1 1   14   34    0 o  167.702   19.643  426.639   80.703  542.563   95.120  128.775  152.474  187.521   20.655   75.445   34.796 112.0758 40.46486 
1 1 1   14   34    1 o   70.835   20.301   78.483   37.761  103.247   39.750 -150.5243  120.879   81.958   19.672   50.284   24.975 31.67446 31.79171 
1 1 1   14   34    2 o   77.368   19.698   91.348   38.157   96.701   40.318   45.406  118.121   79.230   20.290   67.554   30.961 11.67608 37.01655 
1 1 1   14   34    3 o   68.581   19.892   71.268   36.059   71.268   36.059   0.0000   0.0000   68.581   19.892  ?   ?  0.000000 19.89202 
1 1 1   14   34    4 o   74.002   19.408   81.654   36.308   90.119   38.372   9.2869  112.197   77.592   19.753   64.378   29.747 13.21400 35.70749 
1 1 1   14   34    5 o   87.527   18.535  111.071   39.252  105.193   41.884  153.465  112.484   84.064   20.203   88.897   34.827 -4.832916 40.26273 
1 1 1   14   34    6 o  114.299   18.551  185.996   51.135  231.529   56.629 -15.0958  119.006  127.979   18.235   64.400   30.055 63.57826 35.15434 
1 1 1   14   34    7 o   57.648   27.162 -45.3802  101.225   0.0000   0.0000 -45.3802  101.225  ?   ?    57.648   27.162 0.000000 27.16155 
1 1 1   14   34    8 o   76.916   20.128   86.233   39.109   86.233   39.109   0.0000   0.0000   76.916   20.128  ?   ?  0.000000 20.12816 
1 1 1   14   34    9 o   81.342   19.008   94.552   37.914  111.646   40.589 -22.4667  106.199   88.604   18.920   62.485   28.896 26.11981 34.53874 
1 1 1   14   34   10 o  112.583   17.639  175.182   47.962  197.184   53.026   76.222  112.457  119.060   18.430   78.770   33.275 40.28973 38.03848 
1 1 1   14   34   11 o   77.059   19.181   84.440   36.766  107.016   39.159 -83.4749  106.796   87.238   18.547   56.606   27.023 30.63122 32.77557 
1 1 1   14   34   12 o   52.302   17.848   35.340   27.968   33.170   28.865   68.633  113.058   51.439   18.103   78.531   33.279 -27.09130 37.88449 
1 1 1   14   34   13 f   46.718   17.078   25.176   25.970   27.464   26.847  -8.1196  102.403   48.136   17.400   64.714   29.338 -16.57749 34.10946 
1 1 1   14   34   14 o   47.577   17.064   26.963   25.762   27.720   26.666   16.350   99.830   48.251   17.354   67.946   30.004 -19.69540 34.66183 
1 1 1   14   34   15 o   36.449   15.064   6.6158   22.302   9.0834   22.887 -39.8412   99.308   37.862   15.410   60.022   27.822 -22.15904 31.80454 
1 1 1   14   34   16 o   82.049   33.225   86.389  105.786   0.0000   0.0000   86.389  105.786  ?   ?    82.049   33.225 0.000000 33.22546 
1 1 1   14   34   17 o   45.595   16.735   23.396   24.972   30.528   25.791 -83.6608   99.924   49.501   17.130   55.371   26.352 -5.869808 31.43010 
1 1 1   14   34   18 o   46.912   16.703   26.209   24.641   24.096   25.408   59.618  101.018   46.122   16.888   76.280   31.836 -30.15840 36.03819 
1 1 1   14   34   19 o   58.505   17.301   46.680   27.043   42.468   27.975  106.754  105.651   56.279   17.785   86.572   33.798 -30.29308 38.19148 
1 1 1   14   34   20 o   73.904   17.857   75.853   32.588   75.853   32.588   0.0000   0.0000   73.904   17.857  ?   ?  0.000000 17.85726 
1 1 1   14   34   21 f   43.525   13.796   24.515   16.824   23.922   17.039   47.560  106.283   43.173   13.905   74.981   32.036 -31.80784 34.92337 
1 1 1   14   34   22 o   99.809   11.449  129.720   28.020  133.461   28.929   72.939  112.702  101.177   11.663   80.420   33.601 20.75661 35.56769 
1 1 1   14   34   23 o   81.043   11.920   86.395   23.403   87.722   23.959   58.785  109.292   81.604   12.126   77.187   32.716 4.416832 34.89074 
1 1 1   14   34   24 o  126.991   16.415  217.388   50.838  231.509   56.197  153.759  119.292  130.338   17.726   96.559   36.360 33.77887 40.45028 
1 1 1   14   34   25 o   70.897   12.176   66.714   20.781   65.064   21.386   94.647   87.984   69.812   12.736   81.371   31.086 -11.55958 33.59444 
1 1 1   14   34   26 o   37.853   12.683   17.762   14.119   18.245   14.322   1.1124   84.093   38.276   12.774   61.035   27.212 -22.75891 30.06108 
1 1 1   14   34   27 o   43.847   14.660   24.394   18.865   22.342   19.096  107.740  121.686   42.655   14.741   86.267   35.369 -43.61225 38.31736 
1 1 1   14   34   28 o  103.932   10.088  139.787   25.851  124.858   27.374  262.885   78.606   97.683   11.439  133.387   24.502 -35.70443 27.04038 
1 1 1   14   34   29 o  131.057   10.190  221.885   33.085  233.595   36.809  172.643   75.486  134.080   11.093  104.453   28.256 29.62688 30.35579 
1 1 1   14   34   30 o   68.998   30.784   20.690  107.825   0.0000   0.0000   20.690  107.825  ?   ?    68.998   30.784 0.000000 30.78421 
1 1 1   14   34   31 o   83.172   31.704  108.013   91.388   0.0000   0.0000  108.013   91.388  ?   ?    83.172   31.704 0.000000 31.70405 
1 1 1   14   35    0 o   34.400   15.207  -0.1694   25.714  -1.8850   26.261   39.711  126.615   34.186   15.227   62.149   29.601 -27.96265 33.28790 
1 1 1   14   35    1 o   60.981   29.152   15.741  125.182   0.0000   0.0000   15.741  125.182  ?   ?    60.981   29.152 0.000000 29.15206 
1 1 1   14   35    2 o   68.143   20.404   74.467   37.438   97.256   39.308 -148.0585  122.833   78.374   20.014   49.712   24.770 28.66189 31.84519 
1 1 1   14   35    3 o  110.775   20.079  188.672   53.497  248.184   58.799 -97.4122  128.918  128.667   18.860   54.552   26.852 74.11521 32.81344 
1 1 1   14   35    4 o   42.696   17.143   18.099   27.905   18.099   27.905   0.0000   0.0000   42.696   17.143  ?   ?  0.000000 17.14335 
1 1 1   14   35    5 o  141.345   18.501  292.217   63.733  351.863   72.504   89.463  133.677  154.338   19.229   73.941   33.520 80.39718 38.64416 
1 1 1   14   35    6 o   66.020   19.398   65.628   34.093   57.794   35.567  154.277  119.642   62.091   20.099   85.136   35.007 -23.04510 40.36654 
1 1 1   14   35    7 o   80.421   19.980   97.380   39.948   97.380   39.948   0.0000   0.0000   80.421   19.980  ?   ?  0.000000 19.98049 
1 1 1   14   35    8 o   49.330   17.890   31.217   28.413   32.548   29.388   12.169  111.201   50.184   18.195   64.908   29.856 -14.72488 34.96290 
1 1 1   14   35    9 o   51.407   24.884 -90.7429   98.100   0.0000   0.0000 -90.7429   98.100  ?   ?    51.407   24.884 0.000000 24.88406 
1 1 1   14   35   10 o   54.086   18.476   39.813   29.970   53.103   31.283 -108.6165  104.544   60.851   18.741   51.957   25.275 8.894188 31.46542 
1 1 1   14   35   11 o   84.270   18.839  102.437   38.648  116.535   41.394   6.6149  107.917   89.911   19.029   65.277   29.795 24.63334 35.35320 
1 1 1   14   35   12 o   52.884   17.933   37.441   28.234   39.485   29.293   10.713  105.936   54.085   18.267   65.853   29.848 -11.76818 34.99419 
1 1 1   14   35   13 o   42.635   16.453   18.387   24.814   18.387   24.814   0.0000   0.0000   42.635   16.453  ?   ?  0.000000 16.45307 
1 1 1   14   35   14 f  117.840   18.979  195.678   53.953  278.842   60.515 -126.6075  119.129  142.221   17.402   55.410   26.961 86.81136 32.08933 
1 1 1   14   35   15 o   95.228   18.123  127.337   41.522  152.048   44.641 -31.1659  113.061  104.485   17.744   63.083   29.391 41.40271 34.33216 
1 1 1   14   35   16 o   52.300   17.103   36.589   25.723   31.641   26.479  119.590  108.445   49.836   17.350   86.421   34.090 -36.58525 38.25105 
1 1 1   14   35   17 o   55.941   26.656 -75.5590  102.911   0.0000   0.0000 -75.5590  102.911  ?   ?    55.941   26.656 0.000000 26.65617 
1 1 1   14   35   18 o   45.581   16.105   25.421   22.868   20.738   23.421  121.095  105.861   43.345   16.152   87.067   33.876 -43.72147 37.52940 
1 1 1   14   35   19 o   32.273   13.580   3.1879   18.611   7.0235   18.917 -112.4740  103.880   34.223   13.978   52.847   25.587 -18.62360 29.15628 
1 1 1   14   35   20 o   79.112   17.513   87.649   33.685   96.363   35.412   4.7701  109.211   82.985   17.632   67.199   30.396 15.78568 35.13955 
1 1 1   14   35   21 f  202.636   19.970  574.011   99.739  574.011   99.739   0.0000   0.0000  202.636   19.970  ?   ?  0.000000 19.97014 
1 1 1   14   35   22 o  103.668   11.426  140.640   29.088  138.249   30.003  178.097  118.748  102.562   11.938   99.499   36.498 3.062469 38.40041 
1 1 1   14   35   23 o   37.360   13.072   16.648   15.041   18.010   15.239 -34.7251   93.579   38.367   13.173   57.893   26.895 -19.52630 29.94802 
1 1 1   14   35   24 o  121.475   11.164  192.336   33.486  196.429   35.588  160.727   98.890  122.484   11.781   96.557   33.535 25.92728 35.54373 
1 1 1   14   35   25 o  120.121   10.821  187.719   32.109  176.109   34.121  277.557   94.914  115.800   11.972  131.430   29.627 -15.62988 31.95495 
1 1 1   14   35   26 o   73.379   12.319   71.920   21.773   72.301   22.490   66.233   86.889   73.426   12.727   72.895   29.887 0.5307083 32.48359 
1 1 1   14   35   27 o   80.468   11.418   85.506   22.301   84.238   23.176  101.355   81.932   79.628   12.030   80.729   30.185 -1.100494 32.49369 
1 1 1   14   35   28 o  104.897   15.943  150.698   40.447  168.432   44.221   59.889  100.063  110.662   16.507   73.183   31.171 37.47863 35.27228 
1 1 1   14   35   29 o  146.697   23.352  318.571   82.678   0.0000   0.0000  318.571   82.678  ?   ?   146.697   23.352 0.000000 23.35212 
1 1 1   14   35   30 o   64.404   24.259   55.426   53.111   0.0000   0.0000   55.426   53.111  ?   ?    64.404   24.259 0.000000 24.25901 
1 1 1   14   36    0 o   71.953   20.264   88.715   37.959   92.583   39.562   43.863  134.716   73.053   20.727   59.213   28.779 13.84013 35.46577 
1 1 1   14   36    1 o   75.898   20.548   97.306   39.901  108.301   41.736 -19.5097  136.037   80.101   20.712   56.281   27.680 23.82059 34.57091 
1 1 1   14   36    2 o   70.866   32.637  135.430  133.464   0.0000   0.0000  135.430  133.464  ?   ?    70.866   32.637 0.000000 32.63727 
1 1 1   14   36    3 o   92.869   19.562  136.360   43.934  150.360   46.663   27.083  130.371   97.332   19.871   61.530   29.503 35.80247 35.57110 
1 1 1   14   36    4 o   36.956   15.563   8.6754   24.479   4.7707   24.999   99.643  120.660   35.809   15.423   69.812   31.725 -34.00376 35.27528 
1 1 1   14   36    5 o   75.320   19.934   89.896   38.079   92.028   39.981   69.068  124.957   75.670   20.603   67.409   31.233 8.260643 37.41682 
1 1 1   14   36    6 o   56.329   18.884   47.632   31.302   47.632   31.302   0.0000   0.0000   56.329   18.884  ?   ?  0.000000 18.88375 
1 1 1   14   36    7 o   51.695   18.148   37.852   28.998   43.894   29.965 -51.1762  115.028   54.731   18.476   56.044   27.084 -1.313484 32.78579 
1 1 1   14   36    8 o   93.594   18.578  130.370   41.889  136.562   44.635   84.630  121.313   95.120   19.447   72.223   32.407 22.89762 37.79392 
1 1 1   14   36    9 o   43.297   16.732   20.932   25.692   21.992   26.396   1.8593  112.002   44.024   16.975   61.886   28.971 -17.86190 33.57809 
1 1 1   14   36   10 o   60.500   28.461 -13.4297  110.348   0.0000   0.0000 -13.4297  110.348  ?   ?    60.500   28.461 0.000000 28.46067 
1 1 1   14   36   11 o   64.729   18.599   61.957   31.656   58.416   32.966  103.882  113.431   62.782   19.223   77.473   33.098 -14.69123 38.27526 
1 1 1   14   36   12 o   56.221   18.281   45.040   29.405   51.880   30.521 -43.3821  109.735   59.759   18.530   58.169   27.664 1.590027 33.29613 
1 1 1   14   36   13 o   33.106   14.116   2.6741   20.557   6.9800   20.966 -104.6761  104.683   35.151   14.573   51.704   25.183 -16.55319 29.09567 
1 1 1   14   36   14 o   50.856   17.472   34.738   26.808   34.738   26.808   0.0000   0.0000   50.856   17.472  ?   ?  0.000000 17.47161 
1 1 1   14   36   15 f   48.890   17.139   31.140   25.860   41.404   26.591 -148.0282  111.100   54.454   17.353   50.519   24.878 3.935280 30.33257 
1 1 1   14   36   16 o   71.871   18.097   74.621   32.460   77.986   33.844   35.972  114.702   73.309   18.490   69.785   31.396 3.523796 36.43565 
1 1 1   14   36   17 o   95.424   18.055  129.619   41.449  153.717   44.301 -39.6244  117.403  104.395   17.621   61.591   29.090 42.80489 34.01059 
1 1 1   14   36   18 o   56.519   27.059 -72.1868  108.738   0.0000   0.0000 -72.1868  108.738  ?   ?    56.519   27.059 0.000000 27.05930 
1 1 1   14   36   19 o   56.566   27.016 -68.0787  106.994   0.0000   0.0000 -68.0787  106.994  ?   ?    56.566   27.016 0.000000 27.01638 
1 1 1   14   36   20 o  111.241   16.788  171.913   45.184  186.176   48.679   83.160  121.431  115.393   17.437   78.290   33.855 37.10323 38.08162 
1 1 1   14   36   21 f  107.464   15.887  158.935   41.349  165.371   45.406  127.673  100.071  108.761   17.298   85.906   33.072 22.85548 37.32248 
1 1 1   14   36   22 o   41.795   15.372   20.132   21.083   22.006   21.233 -111.7585  178.086   42.870   15.477   67.295   32.792 -24.42512 36.26144 
1 1 1   14   36   23 o  122.837   11.086  197.624   33.640  188.337   35.590  275.470  103.041  119.365   12.108  125.314   32.613 -5.949280 34.78782 
1 1 1   14   36   24 o   88.146   11.811  103.129   25.345  105.115   26.261   76.167   96.777   88.852   12.155   74.737   31.174 14.11503 33.45955 
1 1 1   14   36   25 o   54.330   13.078   40.449   17.530   38.657   17.913   80.962   85.165   53.022   13.495   74.577   29.948 -21.55548 32.84769 
1 1 1   14   36   26 o   47.231   13.461   30.428   16.648   34.039   16.980 -59.2412   84.607   49.822   13.370   51.131   24.309 -1.308846 27.74316 
1 1 1   14   36   27 o  127.461   10.721  212.235   33.806  201.804   36.607  272.694   88.129  123.579   12.014  129.852   28.002 -6.273026 30.47033 
1 1 1   14   36   28 o   76.382   28.958   91.446   75.980   0.0000   0.0000   91.446   75.980  ?   ?    76.382   28.958 0.000000 28.95757 
1 1 1   14   36   29 o  137.988   30.359  320.601  101.772   0.0000   0.0000  320.601  101.772  ?   ?   137.988   30.359 0.000000 30.35930 
1 1 1   14   37    0 o   38.537   16.269   14.883   26.854   14.883   26.854   0.0000   0.0000   38.537   16.269  ?   ?  0.000000 16.26891 
1 1 1   14   37    1 o   88.846   21.088  140.027   46.086  157.116   48.551 -15.5513  146.493   94.325   21.136   53.653   26.784 40.67244 34.11879 
1 1 1   14   37    2 o   33.366   14.776   1.0968   24.382  -0.0717   24.804   34.522  132.663   33.228   14.799   57.317   28.011 -24.08936 31.68034 
1 1 1   14   37    3 o   53.278   26.356 -42.2292  129.606   0.0000   0.0000 -42.2292  129.606  ?   ?    53.278   26.356 0.000000 26.35561 
1 1 1   14   37    4 o   66.161   20.379   74.123   36.989   90.778   38.576 -115.8621  130.285   73.474   20.335   50.124   25.058 23.34946 32.27085 
1 1 1   14   37    5 o   63.068   19.904   65.468   35.047   65.468   35.047   0.0000   0.0000   63.068   19.904  ?   ?  0.000000 19.90368 
1 1 1   14   37    6 o   66.432   19.764   71.612   35.211   87.035   36.715 -105.1768  124.304   73.485   19.634   51.207   25.415 22.27874 32.11529 
1 1 1   14   37    7 o   45.018   17.319   25.615   27.426   25.615   27.426   0.0000   0.0000   45.018   17.319  ?   ?  0.000000 17.31853 
1 1 1   14   37    8 o   48.452   17.477   32.765   27.065   34.384   27.783   2.6545  119.831   49.341   17.718   59.892   28.601 -10.55053 33.64420 
1 1 1   14   37    9 f   36.588   15.316   8.5534   23.477   9.2076   23.957  -7.2712  117.825   37.100   15.496   59.379   28.357 -22.27822 32.31484 
1 1 1   14   37   10 o  117.000   18.468  204.078   52.168  232.380   56.696   47.794  133.228  124.586   18.809   67.021   31.446 57.56461 36.64216 
1 1 1   14   37   11 o   63.136   29.551   19.679  116.442   0.0000   0.0000   19.679  116.442  ?   ?    63.136   29.551 0.000000 29.55132 
1 1 1   14   37   12 o   61.432   18.745   56.858   31.380   67.743   32.666 -73.2851  112.954   66.830   18.790   54.280   26.374 12.55018 32.38305 
1 1 1   14   37   13 o   49.945   17.199   34.539   25.985   31.572   26.675   89.690  114.992   48.554   17.369   73.204   32.270 -24.64943 36.64768 
1 1 1   14   37   14 o   67.716   18.056   68.121   31.091   66.682   32.306   86.188  114.438   66.709   18.661   73.255   32.247 -6.545677 37.25769 
1 1 1   14   37   15 f   37.636   15.032   12.565   21.331   12.565   21.331   0.0000   0.0000   37.636   15.032  ?   ?  0.000000 15.03202 
1 1 1   14   37   16 o   72.103   32.331   68.378  120.525   0.0000   0.0000   68.378  120.525  ?   ?    72.103   32.331 0.000000 32.33065 
1 1 1   14   37   17 o   64.234   18.257   60.748   30.666   67.007   31.730 -27.8967  119.418   67.360   18.361   61.183   29.028 6.177082 34.34698 
1 1 1   14   37   18 o  105.065   17.939  158.837   45.375  186.471   48.759 -19.7971  123.969  114.205   17.667   63.003   29.799 51.20194 34.64223 
1 1 1   14   37   19 o   62.563   29.473 -17.8056  119.101   0.0000   0.0000 -17.8056  119.101  ?   ?    62.563   29.473 0.000000 29.47285 
1 1 1   14   37   20 o   64.496   17.044   60.062   27.865   53.478   28.926  144.944  103.857   60.724   17.875   86.614   33.594 -25.89035 38.05372 
1 1 1   14   37   21 o  128.790   15.659  229.606   49.325  233.216   55.252  215.436  109.464  128.105   17.748  102.811   35.306 25.29472 39.51620 
1 1 1   14   37   22 f  108.767   15.149  163.271   40.030  147.705   43.415  251.584  103.409  101.639   17.751  114.756   33.802 -13.11731 38.17957 
1 1 1   14   37   23 o   56.069   16.781   44.660   25.329   44.159   25.643   64.745  162.351   55.777   16.928   76.717   35.565 -20.93932 39.38850 
1 1 1   14   37   24 o   50.512   13.355   35.290   17.103   31.438   17.375  155.248   96.959   47.767   13.795   90.330   33.003 -42.56335 35.77004 
1 1 1   14   37   25 o   53.187   13.627   39.259   18.181   43.232   18.555 -56.4131   91.049   55.862   13.460   52.564   25.054 3.298248 28.44091 
1 1 1   14   37   26 o   57.204   17.816   46.716   28.182   49.042   28.897   1.4590  127.464   58.446   18.015   66.488   31.055 -8.042564 35.90156 
1 1 1   14   37   27 o   97.927   32.124  179.249   90.722   0.0000   0.0000  179.249   90.722  ?   ?    97.927   32.124 0.000000 32.12407 
1 1 1   14   37   28 f  101.172   30.239  182.894   82.287   0.0000   0.0000  182.894   82.287  ?   ?   101.172   30.239 0.000000 30.23942 
1 1 1   14   38    0 o   37.018   16.029   13.462   27.292   13.462   27.292   0.0000   0.0000   37.018   16.029  ?   ?  0.000000 16.02869 
1 1 1   14   38    1 o   64.389   20.702   81.473   37.779   81.473   37.779   0.0000   0.0000   64.389   20.702  ?   ?  0.000000 20.70154 
1 1 1   14   38    2 o   59.951   20.149   67.511   35.636   71.784   36.685  -3.9781  150.060   61.504   20.440   51.720   26.001 9.783978 33.07313 
1 1 1   14   38    3 o   29.524   13.550  -7.2666   22.732  -8.0846   23.030   23.665  141.628   29.483   13.571   54.228   26.950 -24.74429 30.17439 
1 1 1   14   38    4 o   55.306   19.550   52.917   33.702   52.917   33.702   0.0000   0.0000   55.306   19.550  ?   ?  0.000000 19.55049 
1 1 1   14   38    5 o   64.850   20.405   74.047   36.862   78.489   38.345   19.963  133.800   66.385   20.800   56.363   27.666 10.02170 34.61268 
1 1 1   14   38    6 o   60.216   19.112   60.448   32.279   60.734   33.212   55.563  137.180   60.134   19.418   60.287   29.240 -0.1531067 35.10070 
1 1 1   14   38    7 o   30.529   13.673  -3.3082   21.492   1.8391   21.828 -166.6600  122.966   32.480   14.196   46.315   23.317 -13.83484 27.29800 
1 1 1   14   38    8 o   81.866   20.054  109.894   40.674  109.894   40.674   0.0000   0.0000   81.866   20.054  ?   ?  0.000000 20.05421 
1 1 1   14   38    9 o   57.338   18.491   51.704   30.123   51.556   30.931   54.417  132.720   57.171   18.757   63.433   30.239 -6.261322 35.58382 
1 1 1   14   38   10 o   74.749   18.656   87.655   34.715   84.850   36.031  123.953  129.621   72.840   19.445   71.648   32.683 1.192604 38.03026 
1 1 1   14   38   11 o   50.651   18.009   37.238   28.637   29.978   29.355  180.238  130.276   47.433   17.995   80.267   34.888 -32.83468 39.25534 
1 1 1   14   38   12 o   60.808   28.986   9.4548  121.909   0.0000   0.0000   9.4548  121.909  ?   ?    60.808   28.986 0.000000 28.98555 
1 1 1   14   38   13 o   95.210   19.441  139.613   44.659  164.436   47.726 -35.1139  126.621  103.872   19.103   58.137   28.173 45.73471 34.03917 
1 1 1   14   38   14 o  130.193   17.779  249.798   56.290  277.370   61.889  117.758  135.436  136.211   18.687   74.502   33.760 61.70938 38.58727 
1 1 1   14   38   15 o  101.774   17.892  153.269   43.813  173.389   47.512   38.946  113.255  108.024   18.264   64.583   29.857 43.44135 35.00023 
1 1 1   14   38   16 o   70.429   18.107   74.733   32.023   70.894   32.349  262.244  226.078   68.338   18.502   85.871   40.499 -17.53210 44.52556 
1 1 1   14   38   17 o   86.509   17.840  110.701   37.259  122.413   39.478   15.251  112.705   90.947   18.020   62.570   29.217 28.37649 34.32710 
1 1 1   14   38   18 o   53.721   17.452   41.695   26.801   52.225   27.664 -119.2058  108.133   59.443   17.476   49.845   24.546 9.598118 30.13157 
1 1 1   14   38   19 o   51.617   16.725   37.890   24.623   32.002   25.277  147.320  108.973   48.499   16.948   83.205   33.712 -34.70630 37.73269 
1 1 1   14   38   20 o   51.193   25.385 -153.9024  122.948   0.0000   0.0000 -153.9024  122.948  ?   ?    51.193   25.385 0.000000 25.38538 
1 1 1   14   38   21 o   35.429   14.249   10.350   19.311   9.0104   19.645   48.750  105.177   34.992   14.263   66.919   30.089 -31.92672 33.29838 
1 1 1   14   38   22 o  123.397   16.707  216.572   50.159  243.678   56.239  111.166  110.903  129.953   17.798   77.297   32.867 52.65577 37.37682 
1 1 1   14   38   23 o  103.982   15.595  151.954   39.245  141.819   42.405  212.462  103.608   98.752   17.853  100.541   34.353 -1.788315 38.71468 
1 1 1   14   38   24 o   38.035   14.613   15.258   19.512   16.325   19.709 -37.2578  138.252   38.690   14.729   62.652   30.131 -23.96172 33.53800 
1 1 1   14   38   25 o   26.467   11.173   1.9781   12.666   2.0318   12.790  -0.7561   91.294   26.606   11.230   58.139   26.853 -31.53263 29.10641 
1 1 1   14   38   26 o   50.574   24.280 -60.1284   88.904   0.0000   0.0000 -60.1284   88.904  ?   ?    50.574   24.280 0.000000 24.28005 
1 1 1   14   38   27 o   75.434   34.540   89.850  146.535   0.0000   0.0000   89.850  146.535  ?   ?    75.434   34.540 0.000000 34.53954 
1 1 1   14   39    3 o   57.253   20.651   67.234   37.786   67.234   37.786   0.0000   0.0000   57.253   20.651  ?   ?  0.000000 20.65065 
1 1 1   14   39    4 f   46.822   18.398   36.897   31.470   31.219   32.188  159.914  149.833   44.723   18.246   58.388   28.780 -13.66508 34.07706 
1 1 1   14   39    5 o   66.474   20.981   84.955   38.944   97.491   40.454 -73.6644  143.894   71.365   21.173   48.454   24.494 22.91143 32.37711 
1 1 1   14   39    6 o   53.680   26.686   18.538  139.233   0.0000   0.0000   18.538  139.233  ?   ?    53.680   26.686 0.000000 26.68573 
1 1 1   14   39    7 f   46.865   17.659   33.850   28.150   30.144   28.730  122.849  140.791   45.316   17.643   61.902   29.927 -16.58574 34.74049 
1 1 1   14   39    8 o   81.854   19.871  114.195   40.208  121.490   41.882   28.369  143.662   84.160   20.188   56.892   28.069 27.26857 34.57492 
1 1 1   14   39    9 f   72.658   19.859   89.863   37.061  100.968   38.502 -50.1478  136.709   77.263   19.850   52.912   26.326 24.35135 32.97100 
1 1 1   14   39   10 o   25.702   11.963 -12.2186   18.654 -12.5589   18.867   2.6268  124.606   25.776   12.008   56.024   27.328 -30.24827 29.85042 
1 1 1   14   39   11 o   84.559   19.623  116.720   40.636  134.208   42.874 -37.8146  127.448   91.130   19.433   54.253   26.704 36.87723 33.02614 
1 1 1   14   39   12 o  100.385   19.280  160.060   46.574  186.809   50.058 -12.2690  127.058  108.803   19.122   56.686   27.639 52.11689 33.60912 
1 1 1   14   39   13 o  112.274   18.469  194.705   49.980  198.105   53.494  171.344  140.220  111.563   19.933   75.053   34.142 36.51085 39.53507 
1 1 1   14   39   14 o   27.597   12.552  -7.4803   18.943  -8.6786   19.208   35.087  114.483   27.425   12.538   60.936   28.764 -33.51118 31.37787 
1 1 1   14   39   15 o   99.390   18.193  150.630   43.491  164.647   46.670   58.143  119.880  103.421   18.762   64.360   30.079 39.06145 35.45105 
1 1 1   14   39   16 o   85.537   18.850  113.370   39.178  132.625   41.568 -39.7823  117.233   93.025   18.545   55.429   26.918 37.59586 32.68763 
1 1 1   14   39   17 o   82.188   18.508  103.753   37.071  100.568   37.608  213.074  220.327   80.440   19.021   77.851   37.589 2.588737 42.12804 
1 1 1   14   39   18 o   59.450   17.478   53.521   27.670   50.048   28.489  111.337  116.240   57.449   17.917   72.663   32.217 -15.21454 36.86415 
1 1 1   14   39   19 o   43.012   16.040   23.247   23.107   30.405   23.651 -127.1202  108.400   46.868   16.393   48.222   23.899 -1.353985 28.98089 
1 1 1   14   39   20 o   82.077   18.171  101.838   36.260  113.499   38.289   0.5060  112.870   86.711   18.260   59.654   28.278 27.05748 33.66138 
1 1 1   14   39   21 o   58.950   28.788 -54.5002  139.348   0.0000   0.0000 -54.5002  139.348  ?   ?    58.950   28.788 0.000000 28.78753 
1 1 1   14   39   22 o   35.642   14.242   11.505   19.156   11.382   19.481   15.096  105.311   35.760   14.336   60.543   28.261 -24.78316 31.68913 
1 1 1   14   39   23 o   74.778   17.575   83.655   32.264   91.809   33.937   6.9976  104.055   78.303   17.764   59.537   27.889 18.76596 33.06556 
1 1 1   14   39   24 o  133.922   16.292  257.225   53.364  283.201   61.504  178.116  107.332  138.422   18.237   87.412   34.082 51.00993 38.65485 
1 1 1   14   39   25 o   52.614   16.789   40.250   24.883   39.828   25.386   50.576  125.631   52.378   16.983   66.964   31.127 -14.58554 35.45879 
1 1 1   14   39   26 o   85.188   32.315  157.640   94.654   0.0000   0.0000  157.640   94.654  ?   ?    85.188   32.315 0.000000 32.31487 
1 1 1   14   40    7 o   55.939   27.905  129.861  157.788   0.0000   0.0000  129.861  157.788  ?   ?    55.939   27.905 0.000000 27.90465 
1 1 1   14   40    8 o   73.738   20.707  102.395   39.698  118.908   41.403 -85.7703  139.763   80.194   20.574   47.267   23.923 32.92712 31.55293 
1 1 1   14   40    9 o   54.132   18.652   51.296   30.564   55.712   31.406 -27.7688  132.890   56.065   18.915   50.294   25.167 5.771046 31.48246 
1 1 1   14   40   10 o   59.406   19.540   62.852   33.558   83.990   34.664 -252.5489  133.897   69.329   19.308   42.223   21.563 27.10561 28.94357 
1 1 1   14   40   11 o  114.505   19.294  218.087   53.208  201.953   54.050  723.987  302.659  107.964   20.802   74.621   37.432 33.34338 42.82391 
1 1 1   14   40   12 o   44.900   17.128   29.066   26.687   35.271   27.295 -105.4150  127.078   47.839   17.506   48.190   24.185 -0.3512115 29.85575 
1 1 1   14   40   13 o   42.737   16.522   24.489   25.056   28.899   25.560 -84.0256  126.786   44.883   16.844   49.839   24.886 -4.956139 30.05066 
1 1 1   14   40   14 o   87.583   19.397  125.929   41.304  138.197   43.568   16.988  129.832   91.627   19.632   57.082   27.856 34.54436 34.07893 
1 1 1   14   40   15 o   55.352   26.975  -5.0123  120.561   0.0000   0.0000  -5.0123  120.561  ?   ?    55.352   26.975 0.000000 26.97458 
1 1 1   14   40   16 o  123.591   19.061  241.910   56.938  296.269   63.572   21.512  128.008  136.745   19.141   58.607   28.383 78.13808 34.23419 
1 1 1   14   40   17 o   56.592   17.922   50.516   28.398   49.116   29.245   73.627  118.805   55.747   18.237   63.512   29.766 -7.764885 34.90852 
1 1 1   14   40   18 o  131.702   17.781  264.736   56.985  289.668   63.554  162.481  128.708  135.736   19.293   74.317   33.361 61.41895 38.53754 
1 1 1   14   40   19 o   58.701   18.230   54.299   29.529   62.710   30.436 -80.5207  121.861   62.937   18.282   51.887   25.647 11.04982 31.49567 
1 1 1   14   40   20 o  131.591   17.241  259.790   55.291  280.646   61.950  178.117  122.593  134.574   18.960   78.617   34.007 55.95690 38.93488 
1 1 1   14   40   21 o   86.368   17.890  114.476   37.316  119.797   39.480   69.895  114.284   87.743   18.596   64.713   29.944 23.02977 35.24828 
1 1 1   14   40   22 o   65.054   31.406   52.978  153.646   0.0000   0.0000   52.978  153.646  ?   ?    65.054   31.406 0.000000 31.40552 
1 1 1   14   40   23 o   53.680   17.445   43.645   26.778   48.794   27.691 -30.5697  105.127   56.376   17.677   53.731   25.949 2.645218 31.39780 
1 1 1   14   40   24 o   36.880   14.695   13.536   20.340   12.393   20.771   40.189  100.297   36.553   14.751   60.688   28.071 -24.13544 31.71040 
1 1 1   14   40   25 o   64.720   29.062   70.580   97.755   0.0000   0.0000   70.580   97.755  ?   ?    64.720   29.062 0.000000 29.06177 
1 1 1   14   41   11 o   44.231   17.080   31.106   26.754   26.835   27.261  142.795  139.408   42.460   16.981   57.871   28.373 -15.41156 33.06611 
1 1 1   14   41   12 o   38.988   16.029   18.613   25.080   18.413   25.182   43.258  279.584   38.935   16.041   54.512   28.031 -15.57767 32.29643 
1 1 1   14   41   13 o   70.663   19.775   90.052   36.270   96.609   37.616   3.3276  136.803   73.026   20.027   51.942   25.922 21.08442 32.75718 
1 1 1   14   41   14 o   39.875   15.978   20.245   24.188   24.348   24.596 -100.2064  133.264   41.784   16.309   47.478   23.949 -5.694458 28.97469 
1 1 1   14   41   15 o   39.299   15.899   18.461   24.199   20.697   24.638 -42.6449  128.789   40.376   16.145   50.430   25.165 -10.05443 29.89886 
1 1 1   14   41   16 o   44.317   22.425 -164.9282  122.376   0.0000   0.0000 -164.9282  122.376  ?   ?    44.317   22.425 0.000000 22.42483 
1 1 1   14   41   17 f  111.129   19.272  203.782   51.542  236.142   56.138   30.083  130.063  119.388   19.503   56.191   27.519 63.19709 33.72916 
1 1 1   14   41   18 o   44.716   16.557   29.103   24.532   23.757   25.028  160.063  123.868   42.282   16.466   68.849   31.610 -26.56709 35.64111 
1 1 1   14   41   19 o   40.895   15.897   21.439   23.296   20.433   23.757   46.624  118.889   40.560   15.969   58.046   27.922 -17.48635 32.16599 
1 1 1   14   41   20 o   41.182   15.937   21.839   23.333   26.009   23.541 -211.1662  175.977   43.249   16.178   50.422   25.655 -7.173153 30.32992 
1 1 1   14   41   21 o   83.883   18.067  112.093   36.726  110.971   38.598  122.831  119.395   82.286   19.144   66.684   30.768 15.60206 36.23755 
1 1 1   14   41   22 o   79.701   18.866  103.318   36.966  113.290   39.021   16.042  115.440   83.296   19.159   56.223   27.162 27.07267 33.23879 
1 1 1   14   41   23 o   62.327   30.610   67.415  164.494   0.0000   0.0000   67.415  164.494  ?   ?    62.327   30.610 0.000000 30.60990 
1 1 1   14   41   24 f   67.505   30.331  116.505  106.664   0.0000   0.0000  116.505  106.664  ?   ?    67.505   30.331 0.000000 30.33140 
1 1 1   15  -27    0 o   54.740   23.322   26.029   56.038  -8.1955  138.260   32.756   61.299   65.564   31.143   57.586   24.460 7.978142 39.60019 
1 1 1   15  -27    1 o   61.543   24.810   52.265   58.699 -56.8512  130.282   80.058   65.751   59.397   28.733   69.801   26.824 -10.40387 39.30824 
1 1 1   15  -26    0 o   59.887   24.175   42.005   55.811  173.990  131.162   12.824   61.673   92.077   37.098   54.355   23.806 37.72211 44.07945 
1 1 1   15  -26    1 o   45.324   20.754 -15.7129   52.920 -154.8152  125.534   14.350   58.359   53.061   26.190   53.303   23.256 -0.2421379 35.02564 
1 1 1   15  -26    2 o   84.592   27.573  123.678   66.875  135.723  144.784  120.411   75.400   82.586   36.315   82.265   29.225 0.3215332 46.61463 
1 1 1   15  -26    3 o  114.422   26.720  220.883   74.964  208.516  149.363  225.047   86.670   90.969   38.384  110.516   30.437 -19.54724 48.98713 
1 1 1   15  -25    0 o   45.282   17.671   20.355   28.870  -2.6761   41.438   42.078   40.244   43.831   19.344   57.486   21.222 -13.65576 28.71526 
1 1 1   15  -25    1 o   51.264   22.103   11.609   51.456 -44.6034  120.234   24.213   56.934   62.223   29.404   56.137   23.693 6.086239 37.76197 
1 1 1   15  -25    2 o   75.257   25.869   88.943   58.772   98.893  123.070   86.003   66.892   79.974   34.329   74.278   27.371 5.695404 43.90475 
1 1 1   15  -25    3 o   66.227   25.421   62.967   59.010  158.562  126.049   36.135   66.780   88.775   36.151   60.505   25.605 28.26916 44.30001 
1 1 1   15  -25    4 o   60.816   24.936   44.756   60.493 -17.7035  125.594   63.622   69.027   63.562   30.041   66.870   26.923 -3.307899 40.34013 
1 1 1   15  -25    5 o   81.455   27.025  114.710   64.143 -17.8172  129.348  157.927   73.865   63.239   30.063   93.779   28.784 -30.54041 41.62124 
1 1 1   15  -24    0 o  217.192   11.441  609.840   61.835  449.413   91.826  742.944   83.642  179.341   20.896  237.669   14.157 -58.32741 25.23990 
1 1 1   15  -24    1 o   43.919   17.563   16.075   29.155   10.719   42.883   20.679   39.758   48.369   20.497   50.103   20.341 -1.733974 28.87676 
1 1 1   15  -24    2 o  102.524   14.672  141.857   36.493   90.347   53.161  187.760   50.185   77.448   24.521  116.277   17.854 -38.82816 30.33229 
1 1 1   15  -24    3 o   50.354   22.167   2.8373   54.082   69.816  122.743 -13.2980   60.245   77.162   33.695   49.496   22.463 27.66598 40.49650 
1 1 1   15  -24    4 o   59.844   24.062   41.048   55.055  123.466  119.500   18.840   62.030   84.477   34.888   56.115   24.231 28.36236 42.47772 
1 1 1   15  -24    5 o   58.201   24.074   35.114   57.031 -72.3602  123.206   64.422   64.339   59.084   28.422   67.386   26.356 -8.301228 38.76149 
1 1 1   15  -24    6 o   75.257   26.797   92.942   63.426  114.661  126.129   85.592   73.378   80.301   34.615   73.044   28.264 7.257675 44.68784 
1 1 1   15  -24    7 o   54.066   23.377   21.041   57.883 -13.5058  122.751   30.919   65.638   62.788   29.683   58.126   25.013 4.662300 38.81686 
1 1 1   15  -23    0 o  232.944   11.719  697.785   67.952  617.693  101.117  763.739   91.759  214.047   19.119  241.298   15.307 -27.25056 24.49168 
1 1 1   15  -23    1 o  148.214   12.303  285.098   45.125  261.706   69.159  302.439   59.546  137.307   20.823  150.731   16.068 -13.42455 26.30152 
1 1 1   15  -23    2 o  121.343   12.944  193.092   38.618  170.284   57.634  211.677   52.025  109.240   21.890  124.984   17.119 -15.74419 27.78882 
1 1 1   15  -23    3 o  117.190   13.195  181.242   37.941  149.048   55.750  209.018   51.784  101.081   22.648  123.741   17.225 -22.65996 28.45428 
1 1 1   15  -23    4 o   51.199   18.128   33.061   28.988   4.2140   39.847   65.492   42.250   45.049   19.437   67.635   21.908 -22.58694 29.28731 
1 1 1   15  -23    5 o   51.364   22.280   8.8019   52.917 -28.2284  111.069   19.675   60.186   62.453   29.109   56.327   24.088 6.125324 37.78310 
1 1 1   15  -23    6 o   64.014   24.669   54.381   55.721 -49.2938  115.093   86.121   63.682   60.330   28.586   74.650   26.822 -14.32063 39.19962 
1 1 1   15  -23    7 o   51.468   22.410   10.996   53.948   11.540  111.493   10.830   61.644   65.596   30.069   53.911   23.701 11.68512 38.28735 
1 1 1   15  -23    8 o   61.319   24.760   47.249   58.564   49.164  120.301   46.655   67.045   70.704   31.949   62.645   26.023 8.059078 41.20571 
1 1 1   15  -23    9 o   51.037   22.537   9.1848   56.317 -59.9133  116.703   30.160   64.300   57.416   27.630   57.701   24.792 -0.2844391 37.12235 
1 1 1   15  -22    0 o  220.534   11.553  621.880   63.402  502.164   95.517  716.174   84.771  193.546   20.054  235.144   14.507 -41.59763 24.75097 
1 1 1   15  -22    1 o   90.529   19.144  112.395   41.926  134.412   59.779   91.081   58.818   96.943   24.641   80.594   25.822 16.34923 35.69228 
1 1 1   15  -22    2 o   57.901   18.613   44.232   30.543   26.682   45.952   58.121   40.880   55.319   22.073   65.810   21.563 -10.49121 30.85732 
1 1 1   15  -22    3 o  144.239   12.203  269.626   43.543  243.267   64.856  291.258   58.754  132.891   20.178  147.986   16.162 -15.09500 25.85236 
1 1 1   15  -22    4 o  122.050   12.873  195.015   38.643  213.850   56.797  178.783   52.728  124.800   18.809  113.678   19.262 11.12227 26.92199 
1 1 1   15  -22    5 o   63.242   18.049   55.717   29.908   50.824   41.432   61.041   43.218   61.885   21.694   66.305   22.189 -4.419727 31.03234 
1 1 1   15  -22    6 o   50.120   17.959   30.991   28.529   35.389   38.389   25.567   42.635   54.758   20.625   52.629   21.170 2.129425 29.55578 
1 1 1   15  -22    7 o  123.581   22.693  225.294   67.450  332.907  125.270  181.359   80.043  134.790   36.374  104.897   29.384 29.89288 46.76025 
1 1 1   15  -22    8 o  151.944   20.952  334.880   77.383  443.469  137.035  284.042   93.763  155.575   35.988  131.239   29.346 24.33624 46.43648 
1 1 1   15  -22    9 o   91.659   26.510  137.733   64.124  162.504  125.608  129.002   74.574   90.289   36.330   86.695   29.147 3.593735 46.57686 
1 1 1   15  -22   10 o   57.783   24.119   34.244   57.988 -34.5205  117.127   56.572   66.741   60.669   28.773   65.028   26.371 -4.358940 39.02951 
1 1 1   15  -22   11 o   54.295   23.174   24.756   55.508   85.701  119.093   7.8423   62.740   74.311   32.796   52.681   23.495 21.63028 40.34301 
1 1 1   15  -21    0 o   34.196   15.302 -10.4275   26.854  -8.7083   43.895 -11.4558   33.949   45.210   19.934   38.733   17.278 6.477314 26.37943 
1 1 1   15  -21    1 o  168.919   11.519  364.514   48.298  317.481   73.400  400.430   64.141  154.367   19.474  175.846   14.743 -21.47943 24.42536 
1 1 1   15  -21    2 o  121.701   12.874  191.583   38.530  161.847   59.413  213.167   50.618  107.923   22.762  127.175   16.315 -19.25194 28.00471 
1 1 1   15  -21    3 o  165.505   14.742  357.026   60.291  282.595   83.494  438.118   87.151  142.020   24.423  180.679   19.632 -38.65952 31.33531 
1 1 1   15  -21    4 o   81.536   16.374   89.857   32.181   66.537   48.130  108.712   43.277   70.223   23.416   88.506   20.046 -18.28306 30.82414 
1 1 1   15  -21    5 o  105.282   13.600  145.742   34.920  164.210   51.985  130.555   47.139  109.024   19.825   96.798   20.156 12.22593 28.27184 
1 1 1   15  -21    6 o   95.877   14.769  122.841   34.224  132.618   49.009  113.536   47.814   96.824   20.883   89.073   21.697 7.750206 30.11403 
1 1 1   15  -21    7 o  101.092   14.244  136.379   34.962  103.878   48.579  171.303   50.357   84.318   22.608  111.072   18.828 -26.75319 29.42138 
1 1 1   15  -21    8 o   48.930   17.669   29.028   27.675   5.9180   35.992   62.452   43.286   43.710   18.658   66.478   22.207 -22.76825 29.00455 
1 1 1   15  -21    9 o   67.276   24.962   62.698   55.818  113.500  108.939   44.612   64.998   84.118   33.838   63.651   25.944 20.46709 42.63938 
1 1 1   15  -21   10 o   64.665   24.887   56.051   56.650   7.1893  110.258   73.576   66.033   65.720   30.043   70.956   26.973 -5.236565 40.37479 
1 1 1   15  -21   11 o  102.794   25.355  168.658   64.680  200.595  122.246  156.242   76.223   98.211   36.841   95.074   29.250 3.137009 47.04075 
1 1 1   15  -21   12 o   87.494   26.447  128.052   62.682  253.448  122.391   83.467   72.979  108.154   37.322   72.459   28.145 35.69487 46.74458 
1 1 1   15  -21   13 f   84.802   27.987  127.311   68.822   95.482  137.988  137.850   79.403   76.229   34.352   86.105   30.041 -9.875328 45.63477 
1 1 1   15  -20    0 o   77.110   16.757   79.255   31.346  108.114   51.103   61.847   39.689   88.932   22.879   68.539   21.110 20.39285 31.13021 
1 1 1   15  -20    1 o  119.169   12.498  182.361   36.640  174.715   57.940  187.455   47.298  113.815   21.165  119.737   16.237 -5.921806 26.67595 
1 1 1   15  -20    2 o  208.439   11.344  552.710   58.822  527.102   88.270  573.166   78.892  200.855   17.782  210.794   15.087 -9.939133 23.32025 
1 1 1   15  -20    3 o  150.723   11.710  290.582   43.729  257.417   66.312  316.103   58.170  138.818   19.680  156.039   15.118 -17.22151 24.81683 
1 1 1   15  -20    4 o  253.103   11.670  816.188   73.761  824.210  108.325  809.253  100.718  250.774   17.406  249.218   16.273 1.555695 23.82796 
1 1 1   15  -20    5 o  132.714   15.531  231.389   50.498  184.607   69.643  283.256   73.330  113.946   25.149  144.293   20.965 -30.34689 32.74097 
1 1 1   15  -20    6 o   85.857   15.960   99.018   32.960  105.703   47.642   92.883   45.645   86.634   21.985   81.273   21.967 5.360268 31.07899 
1 1 1   15  -20    7 o   99.103   14.168  129.891   34.065  176.350   49.294   87.426   47.128  114.057   17.896   78.437   22.739 35.62009 28.93615 
1 1 1   15  -20    8 o  138.365   11.937  248.489   40.840  236.514   58.689  259.732   56.867  131.676   18.347  139.040   16.713 -7.363968 24.81807 
1 1 1   15  -20    9 o  117.571   12.923  181.863   37.317  152.552   51.401  214.530   54.263  103.660   20.583  125.087   17.880 -21.42780 27.26446 
1 1 1   15  -20   10 o   83.283   16.038   95.503   32.145  132.279   42.707   47.436   48.825   97.169   18.271   61.544   23.242 35.62510 29.56363 
1 1 1   15  -20   11 o  109.057   23.927  179.973   63.370  328.706  119.772  122.152   74.678  135.317   35.134   86.445   29.167 48.87189 45.66313 
1 1 1   15  -20   12 o   51.212   22.293   9.3817   53.359   10.676  105.500   8.9367   61.853   65.111   29.618   53.964   23.733 11.14749 37.95347 
1 1 1   15  -20   13 o   86.312   27.143  124.116   65.233  231.214  127.332   86.004   75.958  103.655   37.828   73.996   28.722 29.65884 47.49637 
1 1 1   15  -20   14 o   55.003   23.527   24.108   57.439 -72.4909  114.504   56.589   66.398   56.347   27.179   64.743   26.286 -8.396069 37.81083 
1 1 1   15  -20   15 o   59.303   25.680   33.814   70.057   0.0000   0.0000   33.814   70.057  ?   ?    59.303   25.680 0.000000 25.67950 
1 1 1   15  -19    0 o   61.101   23.135   37.172   48.457 -12.1220   96.395   53.841   56.054   67.126   29.571   68.988   25.111 -1.862114 38.79417 
1 1 1   15  -19    1 o  103.296   22.601  144.741   56.679   68.372  106.445  174.962   66.960   84.868   33.680  113.196   24.407 -28.32797 41.59323 
1 1 1   15  -19    2 o  197.338   11.149  494.020   54.717  392.991   82.018  575.046   73.451  173.147   19.297  212.040   13.950 -38.89281 23.81124 
1 1 1   15  -19    3 o   59.954   18.306   46.925   29.920   36.957   47.578   53.446   38.481   60.428   22.913   64.499   20.909 -4.071033 31.01978 
1 1 1   15  -19    4 o  272.625   11.770  943.635   80.128  979.797  117.657  912.355  109.428  274.728   17.237  265.444   16.592 9.284210 23.92500 
1 1 1   15  -19    5 o  197.798   11.069  497.984   54.453  559.825   81.451  448.008   73.222  207.751   15.819  185.674   15.947 22.07780 22.46207 
1 1 1   15  -19    6 o  228.628   11.644  667.392   66.261  770.943   97.708  579.219   90.161  243.335   16.172  210.129   17.337 33.20580 23.70858 
1 1 1   15  -19    7 o  206.331   14.825  553.356   75.879  486.065  104.739  627.682  110.077  188.432   22.717  215.946   20.665 -27.51436 30.71000 
1 1 1   15  -19    8 f  133.152   12.188  229.171   40.075  250.132   57.601  209.506   55.792  136.942   17.225  124.568   18.497 12.37333 25.27552 
1 1 1   15  -19    9 o  116.557   12.861  177.327   36.811  234.454   52.677  122.808   51.461  132.627   16.245   92.777   22.454 39.84966 27.71412 
1 1 1   15  -19   10 o  156.907   11.913  319.228   46.331  305.220   65.828  332.979   65.220  149.993   17.930  157.446   16.850 -7.452179 24.60495 
1 1 1   15  -19   11 o   45.611   17.139   22.597   26.480   39.692   33.423  -6.2241   43.398   55.553   19.484   44.335   19.670 11.21891 27.68664 
1 1 1   15  -19   12 o  142.893   15.880  276.403   55.705  262.053  121.706  280.206   62.653  118.835   37.027  142.347   18.030 -23.51199 41.18316 
1 1 1   15  -19   13 o   74.624   25.620   84.802   57.637  220.775  114.021   38.132   66.800  107.742   36.042   62.206   25.919 45.53566 44.39373 
1 1 1   15  -19   14 o   83.569   26.260  112.690   61.070  148.942  119.794   99.961   70.987   88.881   35.579   78.543   28.308 10.33860 45.46703 
1 1 1   15  -19   15 o   63.737   25.245   54.301   59.696   82.087  122.539   45.655   68.356   76.047   33.425   62.950   26.224 13.09736 42.48446 
1 1 1   15  -19   16 o   69.704   26.782   76.340   65.537   48.961  121.881   87.476   77.731   69.997   31.838   73.071   28.849 -3.073753 42.96474 
1 1 1   15  -18    0 o  110.735   12.630  157.044   34.300  114.956   54.071  185.385   44.370   92.153   23.441  119.822   15.168 -27.66915 27.92070 
1 1 1   15  -18    1 o  166.458   11.240  351.256   46.449  300.135   71.022  389.464   61.400  151.574   19.194  174.557   14.209 -22.98288 23.88079 
1 1 1   15  -18    2 o  144.139   11.731  264.294   41.857  261.086   65.150  266.549   54.621  141.202   18.955  143.796   15.454 -2.594376 24.45654 
1 1 1   15  -18    3 o  115.629   21.066  178.736   58.585  242.898  105.540  150.160   70.434  130.660   32.485  104.198   26.889 26.46181 42.16935 
1 1 1   15  -18    4 o  132.156   12.273  223.226   40.040  228.246   61.645  219.562   52.662  131.478   19.355  129.824   16.626 1.653870 25.51495 
1 1 1   15  -18    5 o  152.899   11.613  297.860   44.009  213.811   66.263  364.195   58.868  126.049   21.843  168.391   14.130 -42.34113 26.01476 
1 1 1   15  -18    6 o  354.370   13.378  1601.81  118.389  1805.82  171.115  1414.49  163.967  372.780   18.382  328.149   20.106 44.63107 27.24249 
1 1 1   15  -18    7 o  198.989   11.306  504.391   55.950  437.131   82.553  561.534   76.092  182.231   18.393  208.600   14.702 -26.36900 23.54614 
1 1 1   15  -18    8 o  158.734   11.379  322.228   44.805  339.412   65.855  307.418   61.136  160.832   16.638  153.172   16.231 7.660477 23.24323 
1 1 1   15  -18    9 o  143.990   14.833  270.894   52.572  264.969   69.827  278.648   79.879  139.600   20.654  141.666   23.396 -2.065842 31.20836 
1 1 1   15  -18   10 o  145.792   12.018  274.306   43.365  319.748   62.050  230.920   60.630  155.499   16.218  130.447   19.186 25.05229 25.12208 
1 1 1   15  -18   11 o  112.898   13.062  166.862   36.146  175.361   49.763  157.368   52.591  113.461   18.177  106.159   20.581 7.302040 27.45910 
1 1 1   15  -18   12 o  118.422   12.938  184.053   37.639  181.214   51.468  187.317   55.186  114.660   18.613  115.944   19.769 -1.283943 27.15309 
1 1 1   15  -18   13 o  165.633   11.886  357.336   48.834  394.961   68.062  317.415   70.108  171.308   16.099  151.366   18.964 19.94133 24.87580 
1 1 1   15  -18   14 o   64.770   23.451   57.456   48.799   0.0000   0.0000   57.456   48.799  ?   ?    64.770   23.451 0.000000 23.45148 
1 1 1   15  -18   15 o   87.226   34.541  133.956  111.733  133.956  111.733   0.0000   0.0000   87.226   34.541  ?   ?  0.000000 34.54060 
1 1 1   15  -18   16 o   73.638   25.978   84.757   59.477   33.611  111.539  105.077   70.306   68.746   30.941   79.845   28.236 -11.09924 41.88825 
1 1 1   15  -18   17 o   48.834   21.957  -3.2155   56.005  -9.0201  111.883  -1.2748   64.693   62.406   29.130   52.113   23.499 10.29253 37.42700 
1 1 1   15  -18   18 o   43.168   20.252 -31.3048   55.232   48.859  114.919 -55.3842   62.983   68.589   31.088   42.873   20.544 25.71618 37.26277 
1 1 1   15  -17    0 o   57.868   17.122   43.424   26.480   29.896   42.640   51.916   33.783   56.692   21.645   63.446   19.465 -6.753403 29.11035 
1 1 1   15  -17    1 o   73.431   15.959   71.221   28.429   91.099   46.090   59.013   36.118   82.424   21.987   67.194   20.023 15.23065 29.73773 
1 1 1   15  -17    2 o   92.691   13.902  111.243   31.186   75.208   49.938  134.280   39.928   75.914   23.728  101.423   16.319 -25.50861 28.79814 
1 1 1   15  -17    3 o  159.533   10.881  322.397   43.089  311.747   66.119  330.258   56.809  155.158   17.362  160.649   14.311 -5.490631 22.49997 
1 1 1   15  -17    4 o  136.854   11.333  238.079   38.382  286.255   59.668  204.075   50.129  148.836   16.322  125.368   16.406 23.46786 23.14205 
1 1 1   15  -17    5 o  249.523   17.085  802.208  105.819  833.736  162.809  779.146  139.242  249.107   26.583  242.745   23.255 6.361908 35.31917 
1 1 1   15  -17    6 o  146.186   11.444  271.954   41.444  257.149   63.179  283.136   54.908  140.011   18.525  148.187   15.047 -8.175980 23.86598 
1 1 1   15  -17    7 o  150.602   11.365  288.783   42.429  273.383   63.444  301.243   57.067  144.430   17.980  152.710   15.165 -8.279907 23.52165 
1 1 1   15  -17    8 f  181.182   11.102  417.502   49.989  445.606   74.089  394.017   67.728  185.355   16.169  174.398   15.721 10.95644 22.55130 
1 1 1   15  -17    9 o  139.069   11.679  247.589   40.184  276.825   59.310  222.780   54.635  145.349   16.640  129.974   17.260 15.37502 23.97515 
1 1 1   15  -17   10 o  199.249   11.394  507.080   56.455  573.240   82.639  449.184   77.306  209.719   15.898  184.992   16.922 24.72731 23.21845 
1 1 1   15  -17   11 o  160.226   14.663  334.880   58.019  326.631   77.003  345.714   88.243  155.250   20.352  158.126   23.023 -2.875916 30.72921 
1 1 1   15  -17   12 o  117.617   12.399  179.698   35.868  161.410   49.341  200.194   52.234  108.721   18.857  121.925   17.671 -13.20444 25.84274 
1 1 1   15  -17   13 o  127.204   12.357  210.649   38.757  252.236   53.478  164.641   56.249  137.578   15.856  107.874   21.634 29.70316 26.82228 
1 1 1   15  -17   14 o  134.668   16.492  244.798   54.303  201.983  123.596  255.040   60.450  106.709   37.466  136.421   18.198 -29.71157 41.65201 
1 1 1   15  -17   15 o   51.168   18.626   31.841   30.844   31.841   30.844   0.0000   0.0000   51.168   18.626  ?   ?  0.000000 18.62638 
1 1 1   15  -17   16 o   71.009   25.457   73.714   57.334  142.654  108.916   47.288   67.433   90.150   34.552   64.760   26.414 25.39038 43.49218 
1 1 1   15  -17   17 o   60.574   24.278   42.865   55.855   36.938  110.915   44.879   64.651   69.782   31.172   62.930   25.788 6.852020 40.45598 
1 1 1   15  -17   18 o   51.584   22.595   9.4245   55.566   33.556  112.815   1.6949   63.848   68.482   30.942   52.712   23.591 15.76935 38.90943 
1 1 1   15  -17   19 o   56.107   23.831   28.364   58.184   24.060  115.744   29.819   67.306   66.368   30.502   58.582   25.269 7.785976 39.60925 
1 1 1   15  -17   20 o   52.637   23.231   14.223   59.759 -72.6419  121.193   42.128   68.691   56.456   27.406   60.532   25.806 -4.075649 37.64314 
1 1 1   15  -16    0 o   87.980   13.658  100.122   29.033   73.261   45.527  118.535   37.692   74.815   22.522   95.257   16.440 -20.44118 27.88399 
1 1 1   15  -16    1 o  129.019   11.076  211.175   35.340  202.686   53.817  217.611   46.859  124.839   17.764  130.229   14.664 -5.390152 23.03498 
1 1 1   15  -16    2 o  203.059   10.734  520.652   54.237  470.133   80.307  563.019   73.543  191.298   16.988  210.354   14.082 -19.05573 22.06526 
1 1 1   15  -16    3 o  250.050   11.229  788.274   70.117  788.561  103.349  788.028   95.443  248.099   16.780  248.491   15.457 -0.3925018 22.81452 
1 1 1   15  -16    4 o  119.790   11.736  182.818   34.655  240.197   54.573  144.043   44.862  136.335   16.356  104.744   17.787 31.59090 24.16436 
1 1 1   15  -16    5 o  245.141   10.934  757.844   66.933  794.395   98.646  726.662   91.115  249.123   15.940  238.425   15.386 10.69775 22.15428 
1 1 1   15  -16    6 o  142.636   11.276  258.425   39.838  242.352   60.570  270.678   52.887  136.225   18.265  145.130   14.800 -8.905411 23.50882 
1 1 1   15  -16    7 o  135.738   19.046  242.013   62.783  297.522  109.381  214.740   76.670  145.616   31.029  125.451   25.346 20.16531 40.06556 
1 1 1   15  -16    8 o  356.735   13.261  1617.47  118.131  1654.21  169.746  1582.96  164.502  356.939   19.113  349.275   18.931 7.664551 26.90181 
1 1 1   15  -16    9 o  172.677   10.992  378.790   47.152  357.908   70.127  396.020   63.701  165.790   17.188  175.423   14.676 -9.633240 22.60171 
1 1 1   15  -16   10 o  141.609   11.448  256.049   40.136  265.121   58.237  247.841   55.393  142.392   16.695  137.712   16.432 4.680206 23.42500 
1 1 1   15  -16   11 o  166.451   11.296  353.670   46.675  448.167   68.297  270.857   63.936  186.066   14.822  142.947   18.333 43.11909 23.57534 
1 1 1   15  -16   12 o   94.729   14.015  117.777   32.152  132.447   44.799  102.195   46.172   98.828   18.840   85.745   21.580 13.08344 28.64701 
1 1 1   15  -16   13 o  130.123   15.513  223.283   49.416  228.289   63.800  215.775   78.126  129.186   20.458  122.179   26.379 7.006577 33.38244 
1 1 1   15  -16   14 o  128.453   12.311  214.215   39.007  221.397   52.124  205.073   58.806  128.666   16.611  122.012   19.993 6.653778 25.99294 
1 1 1   15  -16   15 o   53.840   17.163   38.559   26.010   48.725   31.933   18.518   44.834   59.901   19.009   51.829   21.384 8.071445 28.61170 
1 1 1   15  -16   16 o   62.975   16.988   55.178   27.330   59.931   33.007   44.814   48.740   65.259   19.061   60.962   23.173 4.297153 30.00572 
1 1 1   15  -16   17 o   37.177   15.272   8.2972   22.741   12.634   25.873  -6.4341   47.684   40.744   16.455   45.951   20.489 -5.206490 26.27866 
1 1 1   15  -16   18 o  106.753   24.763  175.831   64.734  191.955  116.271  168.588   77.928   99.980   36.200  100.477   29.272 -0.4961929 46.55362 
1 1 1   15  -16   19 o   67.308   25.431   65.000   58.476  116.351  114.227   46.764   68.072   82.519   34.097   63.748   26.330 18.77184 43.07990 
1 1 1   15  -16   20 o   48.666   21.909  -4.1552   55.963  -8.6925  114.551  -2.7328   64.137   63.000   29.430   51.712   23.351 11.28861 37.56868 
1 1 1   15  -16   21 o   70.318   26.297   80.195   62.190   95.757  122.461   74.787   72.192   75.581   33.311   69.132   27.639 6.448723 43.28436 
1 1 1   15  -16   22 o   54.804   24.603   14.718   70.014   0.0000   0.0000   14.718   70.014  ?   ?    54.804   24.603 0.000000 24.60277 
1 1 1   15  -15    0 o  211.297   14.419  567.554   75.628  549.469  107.053  585.573  106.855  205.806   21.130  212.799   20.357 -6.993500 29.34052 
1 1 1   15  -15    1 o  234.721   14.809  700.668   86.357  750.949  122.755  651.401  121.510  241.030   20.592  223.820   22.025 17.21001 30.15236 
1 1 1   15  -15    2 o  265.037   11.465  885.028   75.882  833.159  109.917  932.258  104.886  255.124   17.356  270.560   15.590 -15.43655 23.32982 
1 1 1   15  -15    3 o  123.953   11.132  195.045   34.089  163.678   52.170  218.416   45.033  111.511   19.442  130.631   14.024 -19.11948 23.97218 
1 1 1   15  -15    4 o  264.585   11.163  882.103   73.759  944.206  108.548  828.831  100.534  271.977   16.053  254.824   15.878 17.15274 22.57899 
1 1 1   15  -15    5 o  336.769   12.670  1433.47  106.550  1415.71  153.671  1449.91  147.867  331.871   18.618  336.345   17.667 -4.473206 25.66594 
1 1 1   15  -15    6 o  218.852   10.797  603.581   59.009  580.956   87.172  622.717   80.169  212.801   16.534  220.994   14.609 -8.193573 22.06371 
1 1 1   15  -15    7 o  229.532   10.931  664.392   62.653  679.036   92.097  651.775   85.483  230.188   16.124  225.806   15.249 4.382797 22.19254 
1 1 1   15  -15    8 o  117.507   12.218  176.491   35.329  145.005   53.873  200.247   46.795  103.918   21.470  124.458   15.384 -20.53985 26.41318 
1 1 1   15  -15    9 o  110.360   21.980  164.012   58.445  177.260  103.891  157.879   70.692  111.905   34.098  106.898   26.592 5.007660 43.24119 
1 1 1   15  -15   10 o  207.340   11.143  545.211   57.485  577.540   84.041  516.788   78.803  211.706   16.015  200.250   15.889 11.45596 22.56004 
1 1 1   15  -15   11 o   61.784   17.537   50.690   28.316   39.771   40.016   61.642   40.075   58.995   21.255   68.375   21.238 -9.380810 30.04684 
1 1 1   15  -15   12 o  104.646   13.207  141.880   33.744  161.033   47.835  122.908   47.609  110.003   18.039   94.958   20.664 15.04491 27.43040 
1 1 1   15  -15   13 o  128.057   15.352  214.557   48.113  332.298  114.342  189.224   53.037  150.522   31.434  118.961   18.451 31.56172 36.44926 
1 1 1   15  -15   14 o  195.394   13.335  493.051   64.677  561.532   78.537  348.728  114.013  207.536   15.261  153.508   30.813 54.02782 34.38536 
1 1 1   15  -15   15 f  134.027   15.570  237.430   51.142  282.439   64.294  159.898   84.385  144.951   18.161  102.475   30.621 42.47567 35.60159 
1 1 1   15  -15   16 o   70.549   16.314   68.169   28.167   67.592   35.217   69.193   46.923   69.575   19.491   70.540   23.101 -0.9648666 30.22536 
1 1 1   15  -15   17 o   65.024   17.076   58.700   28.083   82.284   34.276   10.538   48.981   76.657   18.181   51.087   21.785 25.56998 28.37507 
1 1 1   15  -15   18 o  121.095   13.018  193.773   38.749  216.781   49.637  157.875   62.000  126.406   16.089  102.307   24.576 24.09903 29.37418 
1 1 1   15  -15   19 o   69.428   16.726   67.811   28.654   84.234   33.605   24.067   54.845   77.035   17.823   55.757   23.379 21.27748 29.39764 
1 1 1   15  -15   20 o   41.758   19.610 -37.0832   52.011 -19.5160  106.561 -42.5770   59.592   61.628   28.654   44.225   20.838 17.40328 35.42958 
1 1 1   15  -15   21 o   32.788   16.252 -100.5520   50.188   64.514  107.881 -146.1441   56.697   72.360   31.594   32.000   16.073 40.36031 35.44730 
1 1 1   15  -15   22 o   67.702   25.807   70.215   60.555  174.962  120.666   34.954   70.009   90.104   35.827   60.125   25.853 29.97908 44.18049 
1 1 1   15  -15   23 o   50.718   22.768   4.9822   59.954   15.771  124.047   1.6937   68.484   64.662   30.341   52.548   23.888 12.11444 38.61583 
1 1 1   15  -14    0 o  285.079   11.307  1022.78   80.495  1060.84  116.066  987.498  111.732  288.724   16.163  278.544   16.132 10.18036 22.83615 
1 1 1   15  -14    1 o  129.797   10.793  213.333   34.664  228.204   52.519  201.854   46.143  133.179   16.120  125.395   15.036 7.783318 22.04370 
1 1 1   15  -14    2 o  200.964   10.450  509.177   52.260  526.333   76.686  494.301   71.408  203.250   15.219  197.090   14.613 6.160049 21.09907 
1 1 1   15  -14    3 f  341.695   17.899  1492.67  152.195  1399.70  215.395  1585.38  215.077  326.248   26.672  348.447   24.881 -22.19986 36.47543 
1 1 1   15  -14    4 o  203.169   11.715  521.909   59.183  529.453  102.086  518.091   72.634  202.084   20.514  201.752   14.514 0.3322296 25.12913 
1 1 1   15  -14    5 o  209.732   10.587  554.956   55.268  589.361   82.199  526.570   74.665  214.936   15.417  203.275   14.811 11.66087 21.37871 
1 1 1   15  -14    6 o  115.407   11.662  169.610   33.146  182.642   52.060  160.726   42.985  118.243   18.216  111.370   15.908 6.872482 24.18440 
1 1 1   15  -14    7 o   86.513   13.873   97.088   28.957  115.918   46.155   84.864   37.187   93.176   20.402   79.810   18.943 13.36614 27.83987 
1 1 1   15  -14    8 o  155.826   11.016  307.595   42.591  331.828   64.421  288.776   56.768  160.559   16.293  149.930   15.380 10.62813 22.40547 
1 1 1   15  -14    9 o   87.739   14.354  100.189   30.361   76.414   46.771  117.506   39.915   76.019   22.815   94.375   17.583 -18.35664 28.80475 
1 1 1   15  -14   10 o  231.287   10.768  674.896   62.194  707.587   91.401  646.708   84.873  234.985   15.666  224.772   15.210 10.21312 21.83529 
1 1 1   15  -14   11 o  142.138   18.533  264.620   64.217  258.671  109.173  267.767   79.408  134.604   32.784  141.155   23.344 -6.550903 40.24530 
1 1 1   15  -14   12 o  108.223   14.112  151.721   37.229  136.395   59.208  161.742   47.879   99.582   24.075  110.641   17.944 -11.05843 30.02636 
1 1 1   15  -14   13 o  122.470   14.214  194.239   42.663  212.110   51.911  157.048   74.887  127.206   16.749  105.325   27.993 21.88077 32.62123 
1 1 1   15  -14   14 o  116.576   12.182  174.923   34.939  181.580   48.962  168.016   49.872  117.109   17.260  112.123   18.454 4.986076 25.26785 
1 1 1   15  -14   15 o  112.854   12.709  164.964   35.193  215.609   48.181  107.040   51.528  128.232   15.352   87.356   23.222 40.87543 27.83746 
1 1 1   15  -14   16 o  356.228   13.223  1634.74  117.624  1581.17  167.512  1686.83  165.203  343.632   19.602  356.098   18.643 -12.46667 27.05181 
1 1 1   15  -14   17 o  161.754   15.239  345.063   60.828  390.739   77.173  270.135   98.842  170.172   18.456  132.863   30.444 37.30902 35.60144 
1 1 1   15  -14   18 o   58.018   17.186   45.978   26.667   56.424   31.940   21.939   48.452   63.777   18.786   54.153   22.274 9.623688 29.13779 
1 1 1   15  -14   19 o  169.279   11.634  372.462   48.879  344.636   65.439  407.579   73.514  159.563   16.669  173.187   17.227 -13.62416 23.97129 
1 1 1   15  -14   20 o   56.381   16.921   44.016   25.727   24.898   29.388  106.720   53.223   47.478   18.007   83.805   24.127 -36.32683 30.10559 
1 1 1   15  -14   21 o  167.022   16.838  383.778   69.269  321.401  135.202  405.978   80.659  126.660   38.954  169.325   19.427 -42.66489 43.52975 
1 1 1   15  -14   22 o   91.846   26.745  138.229   65.070  226.527  119.191  100.739   77.665  105.388   36.804   78.429   29.376 26.95962 47.09021 
1 1 1   15  -14   23 o   48.420   21.865  -5.3987   56.240   50.315  102.474 -29.4128   67.277   68.552   30.329   48.323   22.567 20.22894 37.80392 
1 1 1   15  -14   24 o   39.954   19.006 -42.4088   51.860 -54.7766  104.336 -38.3506   59.766   54.732   26.284   43.745   20.690 10.98708 33.45003 
1 1 1   15  -14   25 o   67.097   25.767   75.229   60.642   72.058  119.928   76.318   70.290   69.261   31.534   67.515   27.173 1.746040 41.62672 
1 1 1   15  -13    0 o  182.125   10.150  417.930   45.978  406.047   67.712  428.095   62.629  178.473   15.342  183.649   13.756 -5.176056 20.60623 
1 1 1   15  -13    1 o  275.655   11.219  955.923   77.228  958.439  111.341  953.591  107.209  274.409   16.322  273.894   15.741 0.5155640 22.67547 
1 1 1   15  -13    2 o  269.485   11.233  913.784   75.590  915.730  108.830  911.970  105.069  268.154   16.330  267.772   15.783 0.3818054 22.71048 
1 1 1   15  -13    3 o  246.442   10.890  763.967   67.016  780.288   97.151  749.151   92.565  247.573   15.797  242.693   15.353 4.880035 22.02807 
1 1 1   15  -13    4 o  245.651   10.868  759.185   66.671  743.217   96.756  773.620   91.998  241.447   16.140  246.699   15.005 -5.251495 22.03759 
1 1 1   15  -13    5 o  353.297   18.243  1596.74  160.397  1631.17  227.369  1562.62  226.306  352.812   25.990  344.984   26.471 7.828705 37.09712 
1 1 1   15  -13    6 f  184.691   13.937  433.891   63.806  426.504   91.464  440.893   89.053  181.160   20.583  184.547   19.625 -3.387100 28.43965 
1 1 1   15  -13    7 o  226.272   10.845  644.576   61.281  672.772   90.167  620.372   83.541  229.589   15.824  220.596   15.259 8.992783 21.98239 
1 1 1   15  -13    8 o  257.733   11.155  836.971   71.796  864.395  104.730  812.655   98.616  260.146   16.202  252.375   15.726 7.770096 22.57883 
1 1 1   15  -13    9 o  247.450   11.208  771.893   69.255  724.660  100.808  814.112   95.307  237.689   17.098  252.697   15.174 -15.00722 22.86013 
1 1 1   15  -13   10 o  130.430   11.526  216.297   37.154  185.035   56.090  240.736   49.593  118.480   19.646  136.914   14.737 -18.43413 24.55959 
1 1 1   15  -13   11 o  140.739   11.222  251.518   39.113  243.333   58.229  258.247   52.798  136.815   17.440  141.669   15.159 -4.853668 23.10749 
1 1 1   15  -13   12 o   48.502   19.095   18.392   33.963   41.143   93.719   14.953   36.440   76.190   31.115   48.478   19.546 27.71214 36.74520 
1 1 1   15  -13   13 o  246.426   17.205  784.534  105.208  771.192  156.102  795.639  142.412  238.890   26.620  244.637   23.605 -5.747589 35.57837 
1 1 1   15  -13   14 o  200.166   10.300  507.623   51.309  443.812   73.202  569.247   71.937  185.219   15.983  210.838   13.738 -25.61821 21.07599 
1 1 1   15  -13   15 o  200.070   11.109  509.317   55.283  586.379   79.248  436.263   77.159  213.129   14.985  182.759   17.106 30.36993 22.74114 
1 1 1   15  -13   16 o   74.984   15.781   75.321   28.616   85.010   37.694   62.142   43.962   78.857   19.299   68.558   22.356 10.29867 29.53349 
1 1 1   15  -13   17 o  191.334   11.428  468.901   54.353  539.266   76.659  397.767   77.077  203.316   15.209  172.889   18.122 30.42784 23.65854 
1 1 1   15  -13   18 o  259.086   13.538  870.667   87.285  925.696  140.800  836.318  111.239  259.526   21.931  250.450   17.904 9.075714 28.31125 
1 1 1   15  -13   19 o  224.790   15.323  667.315   85.502  640.405  111.118  706.373  133.872  215.231   20.939  222.263   24.528 -7.031967 32.25051 
1 1 1   15  -13   20 o  117.970   12.695  182.834   36.810  208.447   47.167  142.935   58.871  124.607   15.493   98.077   24.188 26.52988 28.72472 
1 1 1   15  -13   21 o   76.586   15.711   80.852   29.039   82.322   33.922   76.819   56.184   76.292   18.081   72.594   25.273 3.698723 31.07545 
1 1 1   15  -13   22 o   63.767   16.758   57.301   27.035   57.773   30.679   55.662   57.191   63.687   18.312   65.120   25.019 -1.433144 31.00475 
1 1 1   15  -13   23 o   58.198   23.494   37.302   52.715 -108.5590  100.532   92.616   61.909   50.949   24.785   76.601   26.538 -25.65222 36.31151 
1 1 1   15  -13   24 o   46.317   20.905  -7.4727   51.336   24.418  102.981 -18.0182   59.219   65.250   29.515   47.412   21.800 17.83769 36.69312 
1 1 1   15  -13   25 o  109.799   25.491  198.286   68.551  245.950  126.556  178.494   81.551  102.658   37.675   98.056   30.269 4.601746 48.32856 
1 1 1   15  -13   26 o   55.792   23.862   31.856   59.080   97.346  113.311   7.4048   69.236   73.170   32.152   53.306   24.148 19.86477 40.21054 
1 1 1   15  -12    0 o  208.557   10.230  546.237   53.277  521.267   77.593  568.510   73.281  202.420   15.468  211.803   13.933 -9.383499 20.81751 
1 1 1   15  -12    1 o  251.678   10.855  796.167   68.221  780.524   98.188  810.766   94.855  247.751   15.955  252.760   15.097 -5.009064 21.96577 
1 1 1   15  -12    2 o  157.546   10.167  313.043   39.784  286.549   58.801  335.411   54.028  149.572   15.991  162.512   13.434 -12.94006 20.88454 
1 1 1   15  -12    3 o  290.206   11.577  1059.96   83.895  1048.23  120.395  1071.03  116.971  286.847   16.882  290.186   16.207 -3.338806 23.40208 
1 1 1   15  -12    4 o  207.571   10.168  541.362   52.707  593.291   77.303  496.246   72.053  216.156   14.404  197.533   14.712 18.62306 20.58931 
1 1 1   15  -12    5 o  322.104   12.177  1307.44   97.948  1306.99  140.391  1307.88  136.721  319.981   17.638  320.279   17.157 -0.2979736 24.60580 
1 1 1   15  -12    6 o  177.728   10.131  398.255   44.778  439.310   67.017  365.147   60.183  185.768   14.563  169.308   14.370 16.45999 20.45952 
1 1 1   15  -12    7 o  185.553   13.685  437.475   62.962  500.438   91.233  380.217   87.001  197.094   18.763  170.928   20.812 26.16582 28.02143 
1 1 1   15  -12    8 o  418.687   20.527  2251.70  214.622  2277.52  304.087  2226.07  302.959  414.017   29.608  409.083   29.863 4.934845 42.05252 
1 1 1   15  -12    9 o  194.118   10.574  475.593   51.062  470.565   75.772  479.776   69.111  191.781   15.967  194.103   14.360 -2.321426 21.47453 
1 1 1   15  -12   10 o  227.551   10.955  652.255   62.251  661.073   91.389  644.623   85.027  227.359   16.202  224.806   15.236 2.553680 22.24083 
1 1 1   15  -12   11 o  188.263   11.870  449.079   55.521  421.019   95.856  463.246   68.109  179.161   21.880  190.571   14.419 -11.41011 26.20344 
1 1 1   15  -12   12 o  250.049   16.529  801.420  102.631  801.420  102.631   0.0000   0.0000  250.049   16.529  ?   ?  0.000000 16.52950 
1 1 1   15  -12   13 o   91.698   13.923  109.072   30.880  105.647   44.965  112.129   42.482   88.637   20.691   91.691   19.170 -3.054085 28.20691 
1 1 1   15  -12   14 o  224.324   11.012  635.701   61.688  635.374   89.148  636.000   85.449  222.234   16.175  222.624   15.466 -0.3897705 22.37942 
1 1 1   15  -12   15 o  165.153   17.576  355.495   71.372  325.432  113.868  374.949   91.599  151.519   31.135  167.528   22.461 -16.00934 38.39149 
1 1 1   15  -12   16 o  244.247   11.178  756.398   68.175  792.753   97.428  721.517   95.432  247.699   15.834  236.031   16.291 11.66739 22.71781 
1 1 1   15  -12   17 o   88.077   14.852  102.364   31.505  148.523   42.233   44.448   47.307  105.924   16.504   62.484   23.019 43.44022 28.32403 
1 1 1   15  -12   18 o  144.885   11.307  269.106   40.586  287.926   55.621  247.675   59.356  148.371   15.228  136.347   17.863 12.02434 23.47251 
1 1 1   15  -12   19 o  174.572   11.006  390.677   47.732  408.517   65.730  370.773   69.428  176.570   15.051  167.166   16.862 9.404205 22.60206 
1 1 1   15  -12   20 o   77.015   18.407   82.407   34.919   91.172   38.824   45.291   79.891   80.681   19.489   69.460   28.589 11.22052 34.59969 
1 1 1   15  -12   21 o   51.580   16.794   35.028   24.813   47.469   28.816  -0.6573   48.803   58.860   17.963   48.289   21.163 10.57113 27.75842 
1 1 1   15  -12   22 o  106.681   13.499  151.331   35.156  192.827   44.060   78.617   58.325  119.755   15.067   73.555   25.742 46.20000 29.82738 
1 1 1   15  -12   23 o   97.139   13.793  126.745   32.519  123.192   38.595  135.442   60.379   94.074   17.057   93.509   25.261 0.5649719 30.48024 
1 1 1   15  -12   24 o   55.366   16.742   42.774   25.115   52.392   28.099   4.5737   56.001   60.736   17.543   51.201   22.548 9.534977 28.56914 
1 1 1   15  -12   25 o   67.565   24.884   67.858   55.278  106.938  109.908   54.626   63.955   79.797   33.248   64.619   25.951 15.17754 42.17641 
1 1 1   15  -12   26 o   79.606   26.698  107.596   62.566  156.854  118.685   88.640   73.627   86.528   35.139   73.188   28.314 13.33954 45.12690 
1 1 1   15  -12   27 o   79.934   26.928  113.752   63.651  264.616  121.173   56.261   74.802  105.433   37.092   63.976   27.088 41.45721 45.93053 
1 1 1   15  -11    0 o  250.710   15.560  797.624   96.934  827.356  143.050  772.380  131.811  253.043   22.886  244.816   21.788 8.227081 31.59901 
1 1 1   15  -11    1 o  117.963   16.307  179.391   46.751  171.717   76.347  183.995   59.134  112.874   27.369  118.420   20.753 -5.545822 34.34751 
1 1 1   15  -11    2 o  183.352   9.9506  423.249   45.390  434.682   66.570  413.317   62.049  184.967   14.529  180.476   13.874 4.490829 20.08962 
1 1 1   15  -11    3 o  257.468   10.865  833.185   69.857  833.906  100.714  832.518   96.978  256.167   15.821  256.116   15.232 0.5108643E-01 21.96183 
1 1 1   15  -11    4 o  204.772   10.300  528.067   52.499  483.607   76.200  568.239   72.433  194.792   15.801  211.741   13.774 -16.94907 20.96171 
1 1 1   15  -11    5 o  466.820   15.788  2761.22  184.046  2740.77  261.332  2781.34  259.243  461.526   22.675  465.145   22.319 -3.618073 31.81624 
1 1 1   15  -11    6 o  155.262   10.007  304.057   38.591  399.214   58.269  229.703   51.507  177.386   13.250  133.757   15.720 43.62909 20.55936 
1 1 1   15  -11    7 o  380.500   13.631  1828.67  129.515  1814.84  184.832  1842.01  181.537  376.221   19.743  379.286   19.230 -3.065613 27.55982 
1 1 1   15  -11    8 o  118.419   10.970  177.914   32.071  203.438   49.890  159.939   41.867  125.587   16.292  111.311   15.481 14.27551 22.47438 
1 1 1   15  -11    9 o  364.055   18.583  1696.74  168.378  1727.82  239.132  1666.18  237.124  362.772   26.582  356.023   26.869 6.748749 37.79642 
1 1 1   15  -11   10 o  267.275   15.549  909.645  103.334  912.480  147.202  906.891  145.092  264.935   22.461  264.238   22.194 0.6970825 31.57672 
1 1 1   15  -11   11 o  235.860   13.247  705.440   77.707  533.852  149.409  769.065   90.980  198.076   31.242  245.810   14.892 -47.73460 34.60926 
1 1 1   15  -11   12 o  300.525   12.242  1140.32   91.869  1074.90  131.386  1202.91  128.505  289.276   18.282  306.714   16.842 -17.43790 24.85757 
1 1 1   15  -11   13 o  212.824   10.541  570.513   56.021  615.836   82.007  530.858   76.708  219.641   15.042  203.812   15.181 15.82938 21.37087 
1 1 1   15  -11   14 o  345.270   12.945  1509.67  111.611  1574.87  159.737  1447.48  156.012  349.737   18.354  335.052   18.721 14.68512 26.21756 
1 1 1   15  -11   15 o  409.612   14.422  2135.45  147.520  2154.95  210.068  2116.47  207.212  406.910   20.742  403.331   20.642 3.578461 29.26338 
1 1 1   15  -11   16 o  157.646   11.184  315.847   43.742  444.063   63.850  202.457   60.045  186.266   13.826  123.352   20.192 62.91309 24.47175 
1 1 1   15  -11   17 o  236.455   16.785  724.643   98.468  780.293  149.803  682.307  130.660  239.959   25.385  225.487   23.552 14.47215 34.62794 
1 1 1   15  -11   18 o  331.122   12.614  1398.71  104.301  1380.88  147.722  1416.44  147.286  324.782   18.288  329.197   17.985 -4.414886 25.64980 
1 1 1   15  -11   19 o   71.715   15.771   69.130   27.475   81.446   34.542   47.918   45.334   77.325   18.193   63.009   22.632 14.31609 29.03722 
1 1 1   15  -11   20 o   90.492   13.879  107.995   30.362  136.001   39.003   64.920   48.371  100.968   16.003   69.687   23.474 31.28182 28.40992 
1 1 1   15  -11   21 o   63.751   16.310   55.571   26.070   73.815   31.753   17.837   45.666   73.166   17.595   52.254   21.573 20.91177 27.83821 
1 1 1   15  -11   22 o   93.500   16.461  119.054   37.030  101.605   40.307  213.469   93.759   84.943   19.424  115.187   31.630 -30.24376 37.11808 
1 1 1   15  -11   23 o  201.701   11.239  526.920   56.385  560.930   75.057  482.861   85.428  205.530   14.721  187.448   18.491 18.08275 23.63563 
1 1 1   15  -11   24 o  143.320   11.573  268.319   41.064  253.690   51.479  293.912   68.092  137.124   15.294  144.657   19.334 -7.532852 24.65162 
1 1 1   15  -11   25 o   46.478   16.216   27.423   23.135   22.016   25.573   51.791   54.287   44.548   16.821   63.222   24.353 -18.67423 29.59792 
1 1 1   15  -11   26 o  263.271   15.677  946.670  102.600  1164.45  186.245  851.784  122.936  268.011   28.254  242.508   20.492 25.50351 34.90265 
1 1 1   15  -11   27 o  113.522   25.159  207.712   69.446   95.782  123.354  259.650   84.028   76.781   33.647  124.258   27.778 -47.47722 43.63183 
1 1 1   15  -11   28 o  120.125   24.988  237.090   72.516  412.957  135.971  167.184   85.725  135.916   38.377   91.952   31.249 43.96380 49.49041 
1 1 1   15  -10    0 o  133.549   10.181  225.096   33.698  230.262   49.771  220.724   45.790  134.236   15.110  131.579   14.159 2.657211 20.70725 
1 1 1   15  -10    1 o   51.873   15.784   34.173   22.272   6.0973   34.009   55.258   29.472   44.508   18.515   64.963   17.690 -20.45478 25.60778 
1 1 1   15  -10    2 o   64.149   19.869   52.335   35.103  117.582   65.250   25.759   41.643   94.028   26.598   55.115   21.302 38.91246 34.07658 
1 1 1   15  -10    3 o  140.598   15.248  252.676   52.678  243.272   82.794  259.072   68.282  135.270   25.444  141.273   19.907 -6.002625 32.30630 
1 1 1   15  -10    4 o  254.459   15.881  822.620  100.410  790.666  147.142  850.469  137.364  246.666   24.199  256.895   21.613 -10.22862 32.44616 
1 1 1   15  -10    5 o  121.260   10.496  186.084   31.469  170.469   47.116  198.660   42.282  114.751   16.953  124.735   13.806 -9.984039 21.86308 
1 1 1   15  -10    6 o  191.306   10.049  460.868   47.839  451.058   69.922  469.502   65.594  188.274   14.996  192.393   13.743 -4.118851 20.34140 
1 1 1   15  -10    7 o  166.415   9.9946  349.061   41.342  364.964   61.409  335.878   55.910  169.279   14.672  162.509   13.911 6.770767 20.21860 
1 1 1   15  -10    8 o  327.281   12.196  1349.52   99.675  1399.10  143.279  1303.02  138.753  331.281   17.380  319.646   17.449 11.63535 24.62792 
1 1 1   15  -10    9 o  273.797   11.506  943.744   78.667  867.007  113.345  1015.06  109.271  260.469   17.528  282.591   15.544 -22.12265 23.42751 
1 1 1   15  -10   10 o   96.586   16.251  121.526   37.805   0.0000   0.0000  121.526   37.805  ?   ?    96.586   16.251 0.000000 16.25123 
1 1 1   15  -10   11 o  375.675   27.707  1860.74  258.095  1860.74  258.095   0.0000   0.0000  375.675   27.707  ?   ?  0.000000 27.70719 
1 1 1   15  -10   12 o  374.710   19.057  1801.58  177.731  1732.25  251.341  1870.93  251.357  361.819   28.037  376.942   26.880 -15.12219 38.84019 
1 1 1   15  -10   13 o  328.689   12.714  1364.80  104.354  1277.27  149.197  1448.62  146.013  315.178   19.046  336.496   17.436 -21.31766 25.82172 
1 1 1   15  -10   14 o  215.395   10.751  584.414   57.827  506.752   83.983  654.431   79.742  198.560   17.104  226.785   14.151 -28.22511 22.19960 
1 1 1   15  -10   15 o   98.141   13.094  124.007   31.289  114.062   45.855  132.672   42.801   92.310   20.432  100.419   17.716 -8.108963 27.04302 
1 1 1   15  -10   16 o  344.041   12.773  1499.52  109.741  1533.58  156.277  1466.39  154.140  344.933   18.208  337.174   18.376 7.758514 25.86875 
1 1 1   15  -10   17 o  198.482   10.542  498.707   52.064  505.583   74.070  491.993   73.197  198.455   15.058  195.744   15.091 2.711517 21.31894 
1 1 1   15  -10   18 o  198.728   12.969  504.587   64.009  427.707  122.694  533.336   75.029  175.135   29.074  203.621   14.858 -28.48553 32.65039 
1 1 1   15  -10   19 o  100.381   21.184  137.585   51.432  131.170   90.928  140.604   62.368   96.509   32.185  100.210   25.004 -3.700279 40.75613 
1 1 1   15  -10   20 o  165.832   12.240  352.984   50.331  417.272   77.662  306.432   66.087  177.843   17.723  152.179   17.722 25.66418 25.06398 
1 1 1   15  -10   21 o  164.606   10.872  346.796   44.439  327.997   60.479  368.857   65.516  158.078   15.521  167.543   15.847 -9.464645 22.18192 
1 1 1   15  -10   22 o  126.605   11.704  207.369   36.586  209.621   47.644  204.133   57.113  125.692   15.508  122.074   19.383 3.617989 24.82369 
1 1 1   15  -10   23 o  193.785   11.289  484.471   54.394  509.992   73.087  452.786   81.437  196.458   15.011  182.822   18.075 13.63582 23.49546 
1 1 1   15  -10   24 o  113.312   16.347  174.386   44.918  173.533   49.249  178.604  109.531  111.971   18.242  101.556   35.292 10.41472 39.72723 
1 1 1   15  -10   25 o  168.132   11.805  368.973   49.251  369.331   63.783  368.446   77.510  165.583   15.610  162.158   19.534 3.425217 25.00502 
1 1 1   15  -10   26 o  172.745   11.773  390.868   50.484  397.386   65.196  381.107   79.783  171.404   15.396  163.757   19.920 7.647293 25.17655 
1 1 1   15  -10   27 o   68.115   16.233   65.656   27.220   59.131   30.422   91.854   60.954   64.008   18.181   76.113   26.334 -12.10479 32.00026 
1 1 1   15  -10   28 o  137.750   22.327  288.190   74.171  408.370  131.119  231.637   89.946  143.539   36.498  113.246   30.932 30.29337 47.84218 
1 1 1   15  -10   29 o  136.404   23.396  294.134   76.825  346.386  138.255  270.792   92.405  119.303   39.682  121.297   30.529 -1.993156 50.06667 
1 1 1   15   -9    0 o   62.898   14.790   51.868   22.840   38.268   34.270   62.738   30.637   57.403   19.752   69.093   17.683 -11.69065 26.51106 
1 1 1   15   -9    1 o  169.835   9.7858  362.940   41.327  382.307   60.497  345.993   56.589  173.627   14.074  165.162   13.848 8.465164 19.74475 
1 1 1   15   -9    2 o  163.670   9.7402  337.177   39.630  381.306   58.434  299.593   53.927  173.463   13.599  153.516   14.229 19.94736 19.68212 
1 1 1   15   -9    3 o  270.497   10.898  918.977   73.617  970.727  105.795  870.397  102.504  276.796   15.366  261.961   15.742 14.83405 21.99874 
1 1 1   15   -9    4 o  119.156   10.414  179.599   30.677  206.340   46.029  158.229   41.148  127.013   14.789  110.911   15.261 16.10221 21.25120 
1 1 1   15   -9    5 o  187.911   14.382  448.229   66.977  542.508  102.788  378.662   88.295  205.277   20.319  170.935   21.135 34.34219 29.31794 
1 1 1   15   -9    6 o  111.728   17.132  161.828   46.274  103.701   74.674  198.063   58.959   89.956   29.124  123.179   19.841 -33.22321 35.24023 
1 1 1   15   -9    7 o  529.958   17.321  3565.91  229.228  3699.83  325.358  3433.91  323.009  535.513   24.330  515.377   25.098 20.13531 34.95504 
1 1 1   15   -9    8 o  482.556   15.926  2950.18  191.912  3045.48  272.794  2856.79  270.037  486.829   22.439  471.200   22.949 15.62866 32.09644 
1 1 1   15   -9    9 o  153.597   10.161  297.649   38.752  320.064   58.421  280.039   51.784  158.382   14.948  148.228   14.162 10.15384 20.59153 
1 1 1   15   -9   10 o  148.725   10.511  279.398   38.785  287.839   60.085  273.369   50.782  149.776   16.329  146.437   14.060 3.338516 21.54829 
1 1 1   15   -9   11 o  175.357   10.323  387.828   45.004  370.072   66.964  402.454   60.775  170.094   15.952  177.960   13.783 -7.866257 21.08162 
1 1 1   15   -9   12 o   55.501   16.272   39.830   24.013   42.652   37.836   37.926   31.074   60.191   20.752   56.078   18.815 4.113564 28.01154 
1 1 1   15   -9   13 o  214.370   11.907  581.019   63.489  610.821  108.098  565.325   78.444  217.364   20.144  210.676   15.009 6.688629 25.12043 
1 1 1   15   -9   14 o  102.908   15.693  137.430   39.051  103.747   54.908  171.905   55.550   87.932   24.230  114.134   20.231 -26.20229 31.56530 
1 1 1   15   -9   15 o  212.046   10.756  567.666   56.769  526.760   82.007  605.306   78.665  202.775   16.334  218.009   14.533 -15.23402 21.86308 
1 1 1   15   -9   16 o  221.943   10.416  620.361   57.728  616.182   83.618  624.168   79.795  219.590   15.345  221.279   14.521 -1.688629 21.12687 
1 1 1   15   -9   17 o  153.951   10.506  300.119   40.149  219.313   57.454  377.233   56.126  129.504   18.274  172.044   13.164 -42.53960 22.52147 
1 1 1   15   -9   18 o  216.987   10.941  596.170   59.095  616.877   84.485  576.333   82.690  219.208   15.534  211.767   15.749 7.441040 22.12142 
1 1 1   15   -9   19 o   92.686   13.233  111.407   29.759  114.531   39.913  107.497   44.656   92.713   17.887   89.076   20.501 3.636353 27.20752 
1 1 1   15   -9   20 f   97.195   17.923  126.229   41.899  113.600   87.918  129.941   47.659   91.463   31.628   97.900   20.166 -6.437859 37.50985 
1 1 1   15   -9   21 o  201.254   12.219  518.719   61.120  512.800   74.943  530.475  105.618  198.740   15.216  198.375   21.673 0.3644257 26.48144 
1 1 1   15   -9   22 o   63.952   15.990   55.328   25.469   48.445   30.748   70.375   45.459   60.263   18.584   71.767   22.670 -11.50321 29.31365 
1 1 1   15   -9   23 o  117.484   11.771  178.752   34.068  145.898   43.344  231.853   55.105  103.854   17.323  131.499   17.193 -27.64433 24.40652 
1 1 1   15   -9   24 o   57.598   16.223   45.254   24.328   42.497   27.853   54.127   49.968   56.268   17.742   65.046   23.703 -8.777336 29.60784 
1 1 1   15   -9   25 o  121.250   12.895  193.358   38.444  154.473   48.190  261.421   63.756  105.151   19.054  137.382   19.101 -32.23069 26.97974 
1 1 1   15   -9   26 o   34.805   14.493   5.3997   20.867   4.5498   21.212   30.938  116.275   34.680   14.540   72.032   32.065 -37.35255 35.20783 
1 1 1   15   -9   27 o  104.033   13.465  144.829   34.161  148.316   40.541  136.293   63.434  103.842   16.160   92.941   26.202 10.90119 30.78453 
1 1 1   15   -9   28 o  167.048   12.428  369.264   51.472  388.202   65.118  337.727   84.033  168.588   15.646  149.934   23.192 18.65382 27.97652 
1 1 1   15   -9   29 o  158.401   13.030  336.503   51.085  370.142   63.656  275.642   85.622  163.623   15.775  129.197   27.389 34.42653 31.60679 
1 1 1   15   -9   30 o  104.831   26.291  186.153   68.703  275.173  130.927  152.326   80.708  106.498   38.436   89.472   30.321 17.02583 48.95564 
1 1 1   15   -8    0 o  207.902   9.8170  541.839   50.967  610.034   73.965  480.185   70.328  219.796   13.542  194.722   14.569 25.07434 19.89042 
1 1 1   15   -8    1 o  277.249   11.081  964.824   76.716  970.073  109.803  959.819  107.229  276.779   15.954  275.379   15.658 1.400452 22.35399 
1 1 1   15   -8    2 o  114.639   10.371  166.209   29.369  185.652   43.883  150.435   39.527  120.453   14.907  108.218   15.033 12.23500 21.17105 
1 1 1   15   -8    3 o  336.474   12.053  1423.12  101.272  1474.35  144.577  1373.77  141.900  341.359   16.960  328.978   17.334 12.38141 24.25138 
1 1 1   15   -8    4 o  259.875   10.809  847.978   70.146  854.005  100.831  842.326   97.648  259.554   15.630  257.863   15.232 1.690338 21.82418 
1 1 1   15   -8    5 o  202.294   9.9910  513.498   50.471  519.420   73.201  508.132   69.682  202.385   14.582  200.279   14.021 2.105789 20.22910 
1 1 1   15   -8    6 o  501.085   16.469  3178.80  206.079  3279.01  292.568  3080.12  290.324  505.523   23.176  489.625   23.745 15.89841 33.18033 
1 1 1   15   -8    7 o  248.221   12.515  777.628   77.327  775.256  140.257  778.663   92.685  244.687   23.233  247.798   15.050 -3.111450 27.68126 
1 1 1   15   -8    8 o  215.361   14.682  588.566   78.486  693.929  117.801  504.463  105.248  232.236   20.524  197.372   21.713 34.86432 29.87798 
1 1 1   15   -8    9 o  188.295   20.234  457.745   93.649   0.0000   0.0000  457.745   93.649  ?   ?   188.295   20.234 0.000000 20.23387 
1 1 1   15   -8   10 o  253.628   15.110  816.620   95.269  816.620   95.269   0.0000   0.0000  253.628   15.110  ?   ?  0.000000 15.11040 
1 1 1   15   -8   11 o  141.686   10.417  253.613   36.597  256.550   55.348  251.331   48.784  141.416   15.952  140.364   14.109 1.052429 21.29603 
1 1 1   15   -8   12 o  194.127   10.426  475.017   50.355  435.283   73.906  509.445   68.794  184.556   16.200  200.358   13.834 -15.80191 21.30342 
1 1 1   15   -8   13 o  141.793   10.456  254.122   36.762  212.748   54.888  287.778   49.505  128.151   17.618  150.401   13.319 -22.25023 22.08547 
1 1 1   15   -8   14 o  211.938   10.741  566.532   56.662  491.848   82.391  633.552   78.049  195.915   17.010  223.378   14.064 -27.46310 22.07071 
1 1 1   15   -8   15 o  187.247   11.388  443.287   52.997  325.177   88.323  509.737   66.249  156.977   23.233  200.401   13.314 -43.42386 26.77731 
1 1 1   15   -8   16 o  126.044   14.183  203.685   43.865  124.718   59.443  298.094   64.996   96.047   24.658  151.910   17.451 -55.86306 30.20805 
1 1 1   15   -8   17 o  191.125   10.514  461.372   49.986  455.512   72.279  466.744   69.203  188.654   15.479  191.233   14.602 -2.579666 21.27928 
1 1 1   15   -8   18 o  252.639   10.979  805.093   69.265  737.152   98.784  870.802   97.147  239.652   16.609  261.214   14.955 -21.56232 22.34976 
1 1 1   15   -8   19 o  287.579   11.726  1046.08   84.207  1016.22  119.782  1075.25  118.402  280.911   17.158  289.331   16.456 -8.419922 23.77334 
1 1 1   15   -8   20 o  115.055   11.504  169.251   32.610  159.287   44.486  180.824   47.942  110.167   16.693  117.473   16.823 -7.305740 23.69996 
1 1 1   15   -8   21 o   92.898   13.063  112.065   29.467   96.889   38.451  133.662   45.870   84.724   18.677   99.721   19.116 -14.99731 26.72501 
1 1 1   15   -8   22 o   76.796   22.799   80.961   46.894   45.358   85.846   96.103   55.985   73.142   29.815   83.120   24.965 -9.977844 38.88660 
1 1 1   15   -8   23 o   33.917   14.241   3.0795   20.399   0.0370   23.098   13.864   43.487   34.698   14.883   50.652   20.993 -15.95331 25.73291 
1 1 1   15   -8   24 o  157.494   10.741  318.164   41.991  285.074   54.799  365.228   65.353  147.124   15.131  166.239   15.938 -19.11595 21.97676 
1 1 1   15   -8   25 o  171.137   10.556  376.285   44.892  311.778   57.943  473.143   71.002  153.319   15.340  189.262   15.150 -35.94243 21.56009 
1 1 1   15   -8   26 o  118.000   12.913  183.137   37.429  215.524   46.726  125.138   62.528  127.031   15.020   90.775   26.156 36.25566 30.16171 
1 1 1   15   -8   27 o   92.797   16.848  118.891   37.605  110.770   39.531  196.182  121.956   88.698   18.449  103.447   37.124 -14.74889 41.45503 
1 1 1   15   -8   28 o  218.836   12.633  629.596   68.741  705.160   90.886  528.587  105.081  228.181   16.053  190.463   22.530 37.71806 27.66374 
1 1 1   15   -8   29 o  126.369   12.840  212.712   39.958  196.056   47.516  252.935   73.841  118.989   16.429  129.023   23.795 -10.03481 28.91553 
1 1 1   15   -8   30 o  143.306   13.533  277.023   47.857  324.994   58.752  182.432   82.500  153.545   15.537  100.872   30.308 52.67216 34.05803 
1 1 1   15   -8   31 o  105.739   25.364  185.201   66.114  210.037  131.463  176.793   76.491   93.359   37.307   98.663   29.074 -5.303993 47.29844 
1 1 1   15   -7    0 o  344.881   12.250  1493.51  105.505  1554.80  150.063  1433.60  148.365  350.946   17.123  336.410   17.723 14.53555 24.64384 
1 1 1   15   -7    1 o  194.116   9.9648  473.540   48.141  526.288   69.610  425.184   66.650  204.100   13.738  183.187   14.693 20.91382 20.11518 
1 1 1   15   -7    2 o  117.668   10.387  174.975   30.208  200.759   44.654  153.219   41.018  125.446   14.523  109.191   15.476 16.25462 21.22372 
1 1 1   15   -7    3 f  164.862   9.8523  341.972   40.375  338.246   58.696  345.319   55.627  163.224   14.553  165.102   13.614 -1.878555 19.92778 
1 1 1   15   -7    4 o  194.967   9.9370  477.932   48.220  502.988   70.031  455.344   66.493  199.331   14.161  189.610   14.145 9.720749 20.01549 
1 1 1   15   -7    5 o  257.125   10.744  829.921   68.986  825.732   98.879  833.893   96.295  255.263   15.587  256.643   15.092 -1.380005 21.69571 
1 1 1   15   -7    6 o  117.415   10.446  174.389   30.309  186.066   45.295  164.922   40.786  120.437   15.414  113.411   14.751 7.025284 21.33479 
1 1 1   15   -7    7 o  367.636   12.961  1701.78  118.986  1752.25  169.658  1652.91  166.919  371.514   18.287  360.268   18.617 11.24561 26.09645 
1 1 1   15   -7    8 o  218.587   10.187  599.798   55.608  578.875   80.708  618.709   76.727  213.512   15.237  221.058   13.971 -7.546371 20.67284 
1 1 1   15   -7    9 o  246.990   10.639  766.325   65.621  795.188   94.915  739.894   90.826  250.355   15.255  241.492   15.138 8.863647 21.49073 
1 1 1   15   -7   10 o   79.781   19.569   84.314   38.692  202.794   69.361   30.790   46.620  123.730   23.304   58.832   22.592 64.89748 32.45716 
1 1 1   15   -7   11 o  174.977   14.697  389.613   63.622  508.162  100.141  309.373   82.387  198.391   20.509  153.854   22.076 44.53728 30.13289 
1 1 1   15   -7   12 o  383.791   13.830  1859.75  132.545  1826.60  188.706  1892.04  186.213  377.543   20.088  384.568   19.454 -7.025085 27.96360 
1 1 1   15   -7   13 f  153.301   10.213  296.562   38.873  258.627   57.879  327.735   52.467  141.818   16.661  160.648   13.195 -18.83063 21.25302 
1 1 1   15   -7   14 o  199.520   10.462  501.772   51.944  501.736   76.195  501.804   71.001  198.403   15.502  198.691   14.408 -0.2882080 21.16351 
1 1 1   15   -7   15 o  129.361   10.622  211.854   34.010  143.524   50.698  267.766   45.860  104.184   20.216  145.132   12.784 -40.94874 23.91916 
1 1 1   15   -7   16 o  144.955   10.526  265.685   37.843  252.340   56.355  276.643   51.070  139.981   16.434  147.223   14.062 -7.241745 21.62949 
1 1 1   15   -7   17 o  316.605   13.628  1268.15  107.748  1222.68  183.121  1292.23  133.256  305.784   24.179  318.090   16.836 -12.30524 29.46269 
1 1 1   15   -7   18 o  254.667   15.099  826.585   95.591  786.534  133.161  869.169  137.306  245.648   21.939  258.542   21.461 -12.89421 30.69001 
1 1 1   15   -7   19 o  142.988   10.548  259.008   37.396  210.650   53.247  306.076   52.532  127.265   17.195  154.776   13.734 -27.51034 22.00676 
1 1 1   15   -7   20 o  133.152   11.101  225.406   36.574  213.927   51.013  237.548   52.464  128.372   16.279  135.512   15.800 -7.139282 22.68597 
1 1 1   15   -7   21 o  253.275   11.035  811.398   69.792  719.663   98.454  904.056   98.948  235.987   16.817  265.516   14.985 -29.52925 22.52436 
1 1 1   15   -7   22 o  181.443   10.688  418.276   48.212  412.629   67.040  424.325   69.385  178.664   15.169  181.062   15.495 -2.397980 21.68421 
1 1 1   15   -7   23 o  191.793   11.231  469.185   53.555  533.617   74.545  400.453   76.992  203.045   14.804  174.279   17.948 28.76651 23.26524 
1 1 1   15   -7   24 o  208.791   17.029  574.163   88.015  511.097  135.472  620.225  115.778  187.285   29.978  213.430   22.040 -26.14500 37.20814 
1 1 1   15   -7   25 o  139.447   11.361  250.481   39.219  233.952   50.588  275.379   62.089  132.992   15.525  143.255   17.735 -10.26282 23.57045 
1 1 1   15   -7   26 o  139.977   11.732  253.834   40.631  270.725   51.917  227.136   65.271  143.137   14.735  127.309   21.282 15.82894 25.88568 
1 1 1   15   -7   27 o   94.386   14.205  119.075   32.443  136.840   39.158   80.186   57.936  100.397   16.168   74.718   25.684 25.67924 30.34925 
1 1 1   15   -7   28 o   52.200   16.272   36.788   23.502   47.249   26.213  -6.0925   53.069   58.412   16.965   48.580   21.641 9.832352 27.49851 
1 1 1   15   -7   29 o   42.156   15.931   19.037   22.949   16.108   23.248  130.778  143.581   40.883   15.884   88.583   37.520 -47.69941 40.74324 
1 1 1   15   -7   30 o   42.466   15.837   20.406   22.525   12.149   24.405   67.906   58.533   39.510   15.973   68.496   25.532 -28.98586 30.11691 
1 1 1   15   -7   31 o   60.797   18.172   53.612   29.717   58.807   30.043 -181.6033  202.156   63.541   18.074   64.677   32.153 -1.136211 36.88461 
1 1 1   15   -6    0 o  140.048   10.059  246.994   34.945  250.033   51.215  244.347   47.801  140.214   14.853  138.738   13.988 1.475800 20.40299 
1 1 1   15   -6    1 o  241.078   10.572  728.554   63.643  725.984   90.933  731.021   89.105  239.663   15.273  240.565   14.906 -0.9015808 21.34175 
1 1 1   15   -6    2 o  317.194   11.750  1262.69   93.071  1338.93  132.813  1189.12  130.463  325.443   16.395  306.475   17.115 18.96793 23.70066 
1 1 1   15   -6    3 o  249.197   10.534  778.725   65.550  784.381   94.013  773.374   91.443  249.072   15.188  247.376   14.872 1.695923 21.25644 
1 1 1   15   -6    4 f  554.486   17.940  3889.55  248.408  3997.27  352.022  3782.71  350.586  558.559   25.238  543.020   25.854 15.53888 36.12994 
1 1 1   15   -6    5 o  258.360   10.642  837.501   68.658  845.174   98.443  830.233   95.806  258.429   15.323  256.189   15.042 2.240448 21.47165 
1 1 1   15   -6    6 o  213.178   9.9901  569.981   53.182  581.865   76.953  559.115   73.581  214.391   14.458  210.210   14.099 4.180954 20.19457 
1 1 1   15   -6    7 o  101.339   11.118  130.495   27.674  134.481   41.846  127.397   36.893  101.758   17.072   99.333   15.369 2.425163 22.97143 
1 1 1   15   -6    8 o  316.503   16.919  1271.78  133.239   0.0000   0.0000  1271.78  133.239  ?   ?   316.503   16.919 0.000000 16.91912 
1 1 1   15   -6    9 o  140.652   14.713  252.351   50.911  252.351   50.911   0.0000   0.0000  140.652   14.713  ?   ?  0.000000 14.71278 
1 1 1   15   -6   10 o  233.190   10.402  682.821   60.575  662.097   87.085  702.248   84.315  228.366   15.360  235.446   14.410 -7.079971 21.06124 
1 1 1   15   -6   11 o  393.665   13.659  1954.60  134.273  2004.68  191.055  1905.72  188.747  396.702   19.286  386.182   19.637 10.51981 27.52373 
1 1 1   15   -6   12 o  290.887   16.136  1075.07  116.750  1203.36  170.744  962.416  159.998  305.360   22.551  272.418   23.757 32.94162 32.75594 
1 1 1   15   -6   13 o  242.402   16.377  748.224   98.555  576.293  145.931  892.403  133.635  208.224   28.839  263.442   20.474 -55.21796 35.36809 
1 1 1   15   -6   14 o  191.616   10.234  462.574   48.792  419.625   71.371  500.260   66.854  181.302   15.925  198.639   13.559 -17.33699 20.91552 
1 1 1   15   -6   15 o  255.044   11.230  818.443   71.523  783.204  103.174  851.045   99.239  247.791   16.773  258.757   15.428 -10.96616 22.78931 
1 1 1   15   -6   16 o  274.928   11.418  951.577   78.387  897.091  112.965  1002.17  108.860  265.051   17.159  280.734   15.590 -15.68307 23.18354 
1 1 1   15   -6   17 o  278.410   11.513  976.354   80.041  867.426  114.939  1078.92  111.529  260.277   17.791  291.280   15.388 -31.00342 23.52201 
1 1 1   15   -6   18 o  144.540   10.807  264.420   38.726  256.163   57.020  271.490   52.761  140.989   16.508  145.650   14.707 -4.661285 22.10921 
1 1 1   15   -6   19 o  152.179   13.853  295.628   52.066  331.010   71.019  254.512   76.558  159.921   18.102  138.438   22.949 21.48308 29.22950 
1 1 1   15   -6   20 o  124.594   14.373  199.587   43.899  201.857   57.051  196.290   68.733  124.013   19.030  120.786   23.634 3.226860 30.34327 
1 1 1   15   -6   21 o  148.490   10.747  279.643   39.581  203.927   55.134  360.166   56.857  124.708   18.244  167.867   13.682 -43.15904 22.80421 
1 1 1   15   -6   22 o  107.853   11.837  149.085   31.356  130.920   41.623  172.920   47.680   99.496   17.385  114.757   17.165 -15.26135 24.43153 
1 1 1   15   -6   23 o  114.694   12.275  169.099   34.611  174.504   46.419  162.331   51.940  115.211   16.615  109.995   19.629 5.215813 25.71686 
1 1 1   15   -6   24 o   83.325   13.604   91.110   27.330   81.761   34.062  108.010   45.793   77.693   17.922   88.585   21.017 -10.89223 27.62091 
1 1 1   15   -6   25 f  157.327   11.130  316.979   43.445  302.488   57.342  336.507   66.566  151.991   15.317  159.571   16.965 -7.580048 22.85655 
1 1 1   15   -6   26 o  249.484   17.258  825.854  106.857  986.073  165.859  712.158  139.718  263.906   25.485  224.122   25.413 39.78331 35.99035 
1 1 1   15   -6   27 o  160.298   11.474  331.855   45.628  315.503   58.830  356.541   72.283  154.209   15.486  162.300   18.145 -8.090637 23.85537 
1 1 1   15   -6   28 o  209.055   11.448  565.194   59.536  521.273   78.608  624.283   91.177  197.471   16.081  215.290   17.100 -17.81880 23.47348 
1 1 1   15   -6   29 o   32.121   13.467   3.5178   18.197   5.1318   19.492  -7.4298   50.766   33.781   14.032   47.339   21.122 -13.55814 25.35796 
1 1 1   15   -6   30 o  197.889   20.246  554.237   98.640   0.0000   0.0000  554.237   98.640  ?   ?   197.889   20.246 0.000000 20.24609 
1 1 1   15   -6   31 f  117.805   16.609  192.460   47.504  192.460   47.504   0.0000   0.0000  117.805   16.609  ?   ?  0.000000 16.60897 
1 1 1   15   -6   32 o   47.245   16.516   29.160   24.005   36.166   26.061 -10.0630   61.665   51.363   17.231   49.616   22.598 1.746639 28.41792 
1 1 1   15   -5    0 o  294.314   16.299  1093.72  119.322  1101.75  166.895  1085.33  170.661  293.811   22.929  291.395   23.657 2.415527 32.94528 
1 1 1   15   -5    1 o  209.060   13.903  551.500   72.170  480.488   99.911  628.982  104.363  193.708   20.990  222.371   18.976 -28.66357 28.29597 
1 1 1   15   -5    2 o  262.326   15.192  868.753   99.095  822.019  138.591  917.637  141.744  253.582   22.107  268.231   21.338 -14.64841 30.72503 
1 1 1   15   -5    3 o  244.867   14.778  757.147   89.939  702.517  125.768  814.325  128.668  234.287   21.745  252.689   20.569 -18.40202 29.93193 
1 1 1   15   -5    4 o  517.192   19.782  3388.76  255.494  3466.60  313.772  3235.59  440.131  521.277   24.104  496.214   35.759 25.06281 43.12436 
1 1 1   15   -5    5 o  135.904   9.9809  232.757   33.636  243.549   49.330  223.380   45.983  138.353   14.493  132.502   14.114 5.850403 20.23048 
1 1 1   15   -5    6 o  248.906   10.432  777.071   64.841  809.979   93.245  746.259   90.227  253.119   14.817  242.897   14.948 10.22148 21.04680 
1 1 1   15   -5    7 o  256.444   10.631  825.204   68.079  850.799   98.397  801.702   94.290  259.276   15.265  251.702   15.071 7.573776 21.45075 
1 1 1   15   -5    8 o  273.382   10.983  938.367   74.978  985.140  107.234  893.630  104.875  278.944   15.455  265.526   15.890 13.41788 22.16608 
1 1 1   15   -5    9 o   82.109   12.185   86.585   24.227   94.738   36.649   80.258   32.288   84.914   17.850   78.156   17.025 6.758820 24.66750 
1 1 1   15   -5   10 o  324.322   12.030  1322.82   97.433  1303.99  138.811  1341.11  136.792  320.296   17.420  324.998   16.913 -4.702728 24.28041 
1 1 1   15   -5   11 o  385.667   13.381  1874.37  128.866  1836.95  183.341  1910.91  181.165  379.410   19.416  387.710   18.712 -8.300079 26.96504 
1 1 1   15   -5   12 o  124.300   9.8724  195.122   30.392  207.072   45.552  185.536   40.800  127.252   14.599  120.524   13.805 6.728035 20.09262 
1 1 1   15   -5   13 o  266.378   10.783  891.654   71.728  875.150  103.125  907.121   99.832  262.486   15.807  267.475   15.007 -4.989502 21.79578 
1 1 1   15   -5   14 o  130.826   15.912  219.816   50.915  305.853   86.025  173.429   63.167  152.591   23.316  114.266   22.934 38.32499 32.70488 
1 1 1   15   -5   15 o  251.888   16.282  807.633  101.869  694.600  150.077  904.207  138.721  229.810   26.646  264.896   21.147 -35.08586 34.01757 
1 1 1   15   -5   16 o  203.449   10.506  521.605   53.193  491.168   77.506  548.707   73.137  196.219   15.956  207.913   14.171 -11.69426 21.34024 
1 1 1   15   -5   17 o  124.672   10.606  196.819   32.707  168.782   48.890  219.533   44.004  113.870   17.774  131.155   13.635 -17.28436 22.40138 
1 1 1   15   -5   18 o   45.397   15.868   23.345   22.158   6.1550   33.397   36.863   29.616   44.052   18.339   55.127   18.367 -11.07460 25.95505 
1 1 1   15   -5   19 o  169.154   10.388  361.253   43.669  263.399   63.162  450.861   60.443  142.561   18.154  188.513   12.918 -45.95198 22.28083 
1 1 1   15   -5   20 o  157.294   10.496  312.800   40.991  290.375   58.843  333.943   57.135  150.298   15.921  161.715   14.295 -11.41682 21.39682 
1 1 1   15   -5   21 o  260.333   14.149  862.455   91.635  627.404  124.873  1136.72  134.888  218.321   23.263  297.191   18.264 -78.87001 29.57605 
1 1 1   15   -5   22 o  104.256   14.519  140.831   36.775   83.164   44.381  267.164   65.689   78.671   21.825  142.842   18.878 -64.17135 28.85673 
1 1 1   15   -5   23 f  158.131   10.787  317.492   42.343  368.685   59.109  263.531   60.686  169.507   14.092  142.027   17.480 27.47931 22.45257 
1 1 1   15   -5   24 o  106.409   12.241  145.784   31.935  166.067   41.827  117.432   49.451  112.784   15.241   92.582   21.758 20.20119 26.56485 
1 1 1   15   -5   25 o  294.926   11.897  1108.33   87.618  1025.05  122.716  1194.95  125.142  279.789   17.654  302.961   16.604 -23.17172 24.23601 
1 1 1   15   -5   26 o   80.710   14.287   86.386   27.741   89.635   33.779   79.656   48.621   81.340   17.169   75.862   23.365 5.478317 28.99473 
1 1 1   15   -5   27 o   67.606   22.656   61.393   45.057   11.139   93.607   76.547   51.403   66.990   29.335   74.213   24.173 -7.223175 38.01118 
1 1 1   15   -5   28 o  218.375   12.488  618.090   67.819  578.611   82.827  698.403  118.134  208.829   16.005  224.601   21.318 -15.77136 26.65736 
1 1 1   15   -5   29 o  108.218   12.538  153.742   33.256  145.547   39.962  172.197   59.972  103.750   15.934  109.079   22.753 -5.329247 27.77782 
1 1 1   15   -5   30 o  196.219   11.913  501.167   58.096  489.826   75.584  517.540   90.818  190.902   16.003  193.480   19.044 -2.578217 24.87464 
1 1 1   15   -5   31 o   42.479   15.636   20.584   21.820   19.659   23.480   26.444   59.083   42.699   16.119   57.735   24.239 -15.03627 29.10976 
1 1 1   15   -5   32 o  146.977   17.256  300.453   62.130  299.357   65.364  310.708  199.977  145.752   18.367  108.178   44.941 37.57362 48.54922 
1 1 1   15   -5   33 o   31.745   13.626   1.3963   19.387   9.9151   20.402 -77.8474   62.226   36.087   14.599   40.365   19.604 -4.278404 24.44313 
1 1 1   15   -4    0 o  177.884   9.9269  397.420   43.921  385.643   62.985  408.566   61.276  174.622   14.577  179.894   13.744 -5.272095 20.03507 
1 1 1   15   -4    1 o  106.546   10.649  143.619   27.955  167.439   40.811  122.563   38.370  114.535   14.601   97.399   16.355 17.13641 21.92440 
1 1 1   15   -4    2 o  380.730   13.097  1819.46  124.516  1904.04  177.013  1736.62  175.184  388.520   18.245  370.418   19.003 18.10181 26.34351 
1 1 1   15   -4    3 o  259.191   10.722  841.925   69.398  875.135   99.160  810.042   97.157  263.343   15.142  253.274   15.435 10.06886 21.62268 
1 1 1   15   -4    4 o  332.890   17.440  1401.72  144.471  1440.40  203.473  1362.39  205.164  335.400   24.462  325.825   25.416 9.575226 35.27602 
1 1 1   15   -4    5 o  276.481   15.720  966.006  108.090  1028.67  152.135  902.132  153.599  283.856   21.625  265.202   23.434 18.65332 31.88758 
1 1 1   15   -4    6 o  139.769   13.720  247.988   47.270  215.146   64.907  285.079   68.979  128.620   20.928  148.926   18.979 -20.30653 28.25243 
1 1 1   15   -4    7 o  206.208   20.227  544.660  102.816   0.0000   0.0000  544.660  102.816  ?   ?   206.208   20.227 0.000000 20.22698 
1 1 1   15   -4    8 o  281.272   16.414  1002.55  114.788  1002.55  114.788   0.0000   0.0000  281.272   16.414  ?   ?  0.000000 16.41381 
1 1 1   15   -4    9 o  291.327   11.398  1065.94   82.922  1055.07  118.475  1076.38  116.100  288.457   16.516  291.497   16.011 -3.040283 23.00274 
1 1 1   15   -4   10 o  230.339   10.305  665.789   59.272  640.271   85.379  689.528   82.349  224.702   15.307  233.469   14.192 -8.767273 20.87382 
1 1 1   15   -4   11 o  142.848   9.5879  257.072   34.003  263.619   49.862  251.380   46.491  143.941   14.051  140.650   13.399 3.291229 19.41531 
1 1 1   15   -4   12 o  375.572   13.121  1776.68  123.063  1793.77  175.328  1760.09  172.774  375.694   18.688  372.184   18.590 3.509735 26.35945 
1 1 1   15   -4   13 o   94.407   10.820  113.409   25.048   90.046   37.749  131.788   33.481   82.568   18.738  101.373   13.566 -18.80431 23.13304 
1 1 1   15   -4   14 o  106.374   10.351  143.430   27.149  146.345   41.393  141.229   35.966  106.372   16.085  104.880   14.089 1.492058 21.38255 
1 1 1   15   -4   15 o  200.686   9.8849  505.622   49.538  507.231   73.077  504.253   67.384  199.816   14.750  199.480   13.608 0.3354340 20.06835 
1 1 1   15   -4   16 o  280.666   13.506  993.882   94.660  808.620  171.327  1075.29  113.568  247.498   28.226  291.003   15.686 -43.50476 32.29142 
1 1 1   15   -4   17 o  215.304   15.878  590.511   84.766  472.413  127.666  683.621  113.358  188.424   27.983  230.499   19.889 -42.07489 34.33049 
1 1 1   15   -4   18 o  193.799   10.176  473.225   49.072  389.644   71.696  546.893   67.309  174.407   16.665  207.799   13.037 -33.39209 21.15845 
1 1 1   15   -4   19 o  293.897   11.877  1088.35   87.169  918.448  124.814  1250.12  121.793  267.552   18.801  313.973   15.534 -46.42117 24.38777 
1 1 1   15   -4   20 o  244.018   10.603  749.201   64.613  603.958   92.746  886.177   90.067  217.089   17.250  264.376   13.689 -47.28717 22.02221 
1 1 1   15   -4   21 o  364.526   13.362  1681.01  121.636  1494.51  172.646  1864.83  171.401  340.216   20.416  381.934   17.971 -41.71881 27.19849 
1 1 1   15   -4   22 o  392.687   13.584  1954.36  133.204  1757.62  188.786  2149.42  187.976  368.346   20.607  409.296   18.391 -40.94977 27.62024 
1 1 1   15   -4   23 o   99.292   15.503  128.614   37.183  117.011   45.194  152.925   65.416   93.447   19.973  105.648   25.157 -12.20084 32.12101 
1 1 1   15   -4   24 o  244.032   13.253  759.681   80.463  646.010   97.325  1005.16  143.024  223.151   17.608  276.666   20.855 -53.51479 27.29429 
1 1 1   15   -4   25 o  313.864   11.946  1251.99   93.628  1113.94  131.638  1393.33  133.196  292.240   18.127  328.675   16.228 -36.43448 24.33028 
1 1 1   15   -4   26 o  341.413   12.640  1489.51  107.768  1307.50  150.899  1678.98  153.960  314.622   19.300  359.016   17.173 -44.39383 25.83374 
1 1 1   15   -4   27 o   75.845   15.028   76.962   27.458   97.712   33.117   31.323   49.113   85.333   16.132   58.176   22.943 27.15710 28.04715 
1 1 1   15   -4   28 o   93.746   14.032  116.209   31.839  130.889   39.134   87.469   54.757   98.641   16.468   78.527   24.889 20.11367 29.84350 
1 1 1   15   -4   29 o  118.046   26.085  206.195   74.846   0.0000   0.0000  206.195   74.846  ?   ?   118.046   26.085 0.000000 26.08516 
1 1 1   15   -4   30 o   48.139   16.401   29.317   23.617   30.419   23.960  -8.3457  140.096   48.838   16.521   73.064   33.571 -24.22628 37.41613 
1 1 1   15   -4   31 o  164.349   11.725  351.624   47.805  355.575   59.913  344.701   79.305  163.296   14.855  156.153   20.859 7.142563 25.60795 
1 1 1   15   -4   32 f   68.753   16.152   66.031   27.261   65.140   30.808   69.247   58.522   67.690   17.938   69.778   25.618 -2.087593 31.27357 
1 1 1   15   -4   33 o   75.896   16.404   81.146   30.182   86.444   34.056   61.746   65.165   77.621   17.931   67.349   26.470 10.27206 31.97173 
1 1 1   15   -4   34 o   54.482   17.811   41.790   27.899   43.553   28.071 -100.8875  252.497   55.420   17.847   73.004   36.231 -17.58401 40.38864 
1 1 1   15   -3    0 o  317.927   11.940  1266.75   94.795  1227.31  134.543  1305.64  133.584  311.822   17.347  321.779   16.682 -9.956116 24.06649 
1 1 1   15   -3    1 o  290.887   11.242  1060.11   81.662  1072.79  116.248  1047.77  114.742  291.677   16.021  288.249   16.004 3.428223 22.64503 
1 1 1   15   -3    2 o  224.294   10.082  629.938   56.469  671.674   81.184  590.820   78.597  230.859   14.150  216.392   14.631 14.46773 20.35437 
1 1 1   15   -3    3 o  362.473   12.836  1648.48  116.190  1693.79  165.055  1603.97  163.589  366.557   18.032  356.163   18.456 10.39371 25.80278 
1 1 1   15   -3    4 o  484.218   15.742  2950.18  190.349  3121.15  270.065  2781.40  268.332  496.310   21.790  468.145   22.953 28.16486 31.64909 
1 1 1   15   -3    5 o  176.117   9.7929  389.697   42.898  383.824   62.275  395.001   59.179  174.142   14.451  176.825   13.504 -2.682922 19.77868 
1 1 1   15   -3    6 o  170.812   10.991  367.345   46.635  324.859   79.983  389.229   57.402  158.841   20.653  175.536   13.192 -16.69444 24.50634 
1 1 1   15   -3    7 o  128.403   15.274  210.510   48.013  210.510   48.013   0.0000   0.0000  128.403   15.274  ?   ?  0.000000 15.27354 
1 1 1   15   -3    8 o  378.000   18.836  1809.34  177.801  1809.86  250.959  1808.82  251.940  374.413   27.023  374.249   27.142 0.1639404 38.30066 
1 1 1   15   -3    9 o  223.423   14.268  631.134   79.191  627.858  111.266  634.497  112.734  221.424   20.350  222.557   20.515 -1.132248 28.89675 
1 1 1   15   -3   10 o  302.254   13.344  1149.77  100.715  1261.11  173.666  1093.34  123.629  313.594   22.322  293.568   16.936 20.02640 28.01988 
1 1 1   15   -3   11 o  181.429   9.6464  413.936   43.547  404.281   63.578  422.468   59.768  178.517   14.384  182.739   13.186 -4.221375 19.51323 
1 1 1   15   -3   12 o  250.632   10.555  788.578   66.059  803.348   95.046  774.776   91.877  251.801   15.187  247.324   14.946 4.477524 21.30788 
1 1 1   15   -3   13 o  223.409   9.9166  626.290   55.324  640.311   80.114  613.508   76.492  224.848   14.343  220.150   13.986 4.698486 20.03348 
1 1 1   15   -3   14 o  136.513   9.6993  234.991   32.850  194.285   48.988  268.251   44.281  122.847   16.377  145.493   12.303 -22.64645 20.48324 
1 1 1   15   -3   15 o  247.718   10.454  770.700   64.668  751.058   93.083  789.025   89.908  243.240   15.404  249.568   14.489 -6.327591 21.14732 
1 1 1   15   -3   16 o  108.661   10.510  149.685   28.163  131.482   43.338  162.992   37.054  100.283   17.966  112.926   13.401 -12.64285 22.41328 
1 1 1   15   -3   17 o   88.209   11.539   99.515   24.807   99.994   38.610   99.178   32.374   87.088   18.334   87.293   15.415 -0.2048569 23.95286 
1 1 1   15   -3   18 o  151.079   12.239  289.336   45.776  175.761   94.871  323.804   52.263  113.552   32.055  159.688   13.225 -46.13607 34.67565 
1 1 1   15   -3   19 o   32.034   15.108 -34.7765   31.466  -5.4809   67.955 -42.7721   35.502   58.275   25.263   33.348   15.823 24.92721 29.80928 
1 1 1   15   -3   20 o  257.091   10.855  831.523   69.691  692.390  100.320  961.295   96.886  232.619   17.396  275.357   14.138 -42.73790 22.41635 
1 1 1   15   -3   21 o  360.886   13.126  1645.25  118.287  1503.74  168.510  1782.71  166.083  341.961   19.818  373.848   17.790 -31.88702 26.63178 
1 1 1   15   -3   22 o  199.316   10.617  501.540   52.652  448.889   75.826  550.564   73.167  187.087   16.396  207.989   14.172 -20.90195 21.67157 
1 1 1   15   -3   23 o  211.921   10.236  565.573   54.169  445.158   76.843  684.518   76.373  185.999   16.723  232.121   13.231 -46.12233 21.32382 
1 1 1   15   -3   24 o  139.310   10.958  246.504   37.814  240.124   52.146  253.578   54.915  136.307   15.601  139.999   15.995 -3.692825 22.34329 
1 1 1   15   -3   25 o  292.762   14.909  1098.73  108.635  859.635  145.948  1395.78  162.676  254.123   23.257  326.733   20.035 -72.60988 30.69625 
1 1 1   15   -3   26 o  274.178   12.102  956.147   82.856  899.071  116.048  1015.50  118.339  262.553   17.805  279.601   17.030 -17.04730 24.63816 
1 1 1   15   -3   27 o  104.724   12.069  141.629   30.984  116.427   38.660  186.883   51.805   93.207   17.245  118.321   18.109 -25.11344 25.00691 
1 1 1   15   -3   28 o   96.909   12.360  122.163   29.231   94.672   35.728  177.820   50.837   83.412   17.700  114.828   18.346 -31.41557 25.49294 
1 1 1   15   -3   29 o  291.687   18.078  1135.77  131.030   0.0000   0.0000  1135.77  131.030  ?   ?   291.687   18.078 0.000000 18.07787 
1 1 1   15   -3   30 o   87.991   16.874  105.752   35.728  105.752   35.728   0.0000   0.0000   87.991   16.874  ?   ?  0.000000 16.87384 
1 1 1   15   -3   31 o   99.307   23.150  144.059   56.349  199.494  109.480  124.081   65.722  107.916   35.284   90.184   27.041 17.73241 44.45382 
1 1 1   15   -3   32 o  151.669   12.177  300.735   45.731  319.805   56.747  265.407   77.238  154.771   14.866  134.345   23.899 20.42654 28.14487 
1 1 1   15   -3   33 o   62.401   16.533   54.648   26.175   53.903   29.089   57.819   60.001   61.762   17.853   66.351   25.590 -4.589436 31.20240 
1 1 1   15   -3   34 o   40.956   15.390   18.498   21.350   17.589   22.855   24.723   59.814   41.165   15.816   56.709   24.126 -15.54449 28.84798 
1 1 1   15   -2    0 o  109.817   10.407  152.322   28.199  141.758   40.893  161.900   38.939  105.030   16.105  112.725   14.144 -7.694534 21.43449 
1 1 1   15   -2    1 o   79.128   12.255   80.303   23.433   99.683   34.406   63.535   32.004   87.674   16.315   69.766   18.184 17.90820 24.43087 
1 1 1   15   -2    2 o  262.397   10.545  862.170   69.095  851.319   98.464  872.697   96.982  259.894   15.238  263.213   14.815 -3.319733 21.25297 
1 1 1   15   -2    3 o  153.627   9.5822  296.561   36.577  314.102   52.995  280.602   50.548  157.635   13.596  148.905   13.749 8.730667 19.33602 
1 1 1   15   -2    4 o  422.394   14.340  2240.84  151.262  2253.92  214.536  2227.91  213.304  422.374   20.340  419.929   20.341 2.444702 28.76583 
1 1 1   15   -2    5 f  475.540   15.634  2844.54  185.650  2921.57  263.206  2768.27  261.896  480.219   21.949  467.295   22.443 12.92322 31.39173 
1 1 1   15   -2    6 f   77.470   15.254   78.091   28.459   37.782   59.828   89.879   32.353   66.361   25.565   83.098   16.173 -16.73679 30.25128 
1 1 1   15   -2    7 o  153.245   9.7423  295.360   37.088  297.406   53.567  293.477   51.401  153.164   14.166  152.220   13.668 0.9443817 19.68455 
1 1 1   15   -2    8 o   70.359   12.949   64.133   21.913   89.794   32.919   43.715   29.365   82.966   16.470   58.862   18.162 24.10367 24.51807 
1 1 1   15   -2    9 f  329.269   11.924  1361.30   98.045  1367.95  139.713  1354.85  137.624  328.680   17.081  327.145   16.904 1.535187 24.03130 
1 1 1   15   -2   10 o  204.573   9.8929  524.682   50.538  492.333   72.965  554.514   70.068  197.102   14.935  209.521   13.463 -12.41859 20.10751 
1 1 1   15   -2   11 o  334.796   17.355  1421.86  144.595  1380.07  204.113  1463.96  204.865  327.003   25.190  337.138   24.501 -10.13565 35.14029 
1 1 1   15   -2   12 o  256.210   14.929  830.825   95.101  813.774  134.474  847.886  134.513  251.715   21.603  257.123   21.137 -5.407318 30.22297 
1 1 1   15   -2   13 o  314.719   11.833  1245.07   92.995  1212.17  132.831  1276.70  130.239  308.896   17.289  317.277   16.495 -8.380890 23.89581 
1 1 1   15   -2   14 o  276.083   10.675  957.136   73.598  991.613  105.828  924.844  102.421  279.797   15.203  270.176   15.243 9.621582 21.52885 
1 1 1   15   -2   15 o  212.983   9.6665  569.124   51.412  575.457   74.786  563.450   70.793  213.129   14.132  211.017   13.505 2.111908 19.54751 
1 1 1   15   -2   16 o   60.274   13.714   47.618   20.176   57.652   31.980   40.984   26.005   66.390   18.565   56.585   17.019 9.804886 25.18575 
1 1 1   15   -2   17 o  151.081   9.7329  287.646   36.524  241.355   54.347  325.777   49.325  137.144   16.180  160.384   12.412 -23.24055 20.39277 
1 1 1   15   -2   18 o  201.582   10.026  510.249   50.472  511.579   74.591  509.125   68.547  200.608   14.998  200.400   13.781 0.2076569 20.36837 
1 1 1   15   -2   19 o  123.605   10.445  193.321   31.939  136.171   48.285  237.776   42.586  101.643   19.735  136.800   12.608 -35.15700 23.41831 
1 1 1   15   -2   20 o   57.236   17.684   41.647   27.828   35.358   74.223   42.676   30.018   69.967   28.007   58.235   18.425 11.73246 33.52369 
1 1 1   15   -2   21 o  156.526   16.831  314.826   64.753  113.191  103.376  445.024   83.069   96.418   34.224  186.024   18.112 -89.60555 38.72074 
1 1 1   15   -2   22 o  374.347   13.683  1772.06  127.914  1507.11  181.684  2032.46  180.123  341.523   21.411  399.042   18.076 -57.51859 28.02126 
1 1 1   15   -2   23 o  126.398   10.770  202.621   33.671  132.049   47.163  275.981   48.086   99.808   19.622  147.148   13.228 -47.33966 23.66451 
1 1 1   15   -2   24 o  236.117   10.449  702.427   61.610  579.325   87.471  823.627   86.792  212.370   16.627  254.502   13.707 -42.13266 21.54821 
1 1 1   15   -2   25 o  190.318   10.660  458.556   50.460  386.663   70.715  533.137   72.025  172.988   16.573  204.206   14.213 -31.21815 21.83258 
1 1 1   15   -2   26 o  137.969   11.010  242.357   37.618  228.766   50.817  258.834   55.953  132.721   15.633  141.094   16.173 -8.373886 22.49292 
1 1 1   15   -2   27 o   94.332   15.590  117.355   35.441   98.690   39.608  192.330   79.382   85.354   19.064  116.339   27.719 -30.98566 33.64177 
1 1 1   15   -2   28 o  187.332   11.065  447.857   51.531  407.000   69.378  498.138   76.964  176.520   15.910  195.412   15.910 -18.89128 22.50009 
1 1 1   15   -2   29 o  160.695   11.233  331.198   44.793  307.372   59.123  363.302   68.629  152.859   15.712  165.711   16.818 -12.85185 23.01530 
1 1 1   15   -2   30 o   89.793   13.689  106.615   29.725  120.919   35.638   73.916   53.883   95.026   15.557   73.259   24.775 21.76733 29.25422 
1 1 1   15   -2   31 o   97.790   13.173  126.079   31.349  131.652   37.659  113.501   56.573   98.882   15.782   87.811   24.741 11.07080 29.34568 
1 1 1   15   -2   32 o   45.348   20.115  -6.3812   45.359 -39.3442  111.040   0.2207   49.694   62.977   29.270   48.857   21.384 14.12027 36.24986 
1 1 1   15   -2   33 o   93.042   14.332  116.486   32.230  108.987   36.919  140.509   66.078   88.541   17.318   95.067   26.722 -6.526505 31.84322 
1 1 1   15   -2   34 o   33.024   13.744   4.9146   18.749   8.6568   19.880 -25.2009   56.397   35.486   14.392   45.911   21.170 -10.42501 25.59888 
1 1 1   15   -2   35 o   31.628   13.466   2.1545   18.662   0.2699   19.647   19.538   59.669   31.599   13.641   55.361   23.836 -23.76250 27.46343 
1 1 1   15   -1    0 o  241.154   10.546  727.980   63.511  717.075   90.326  738.643   89.318  238.531   15.244  242.162   14.842 -3.631241 21.27556 
1 1 1   15   -1    1 o  216.643   10.280  587.482   55.614  569.234   79.256  605.184   78.059  212.428   15.038  219.163   14.342 -6.735626 20.78039 
1 1 1   15   -1    2 o  235.135   10.073  692.038   59.145  675.231   84.419  708.241   82.888  231.483   14.680  237.184   14.057 -5.701004 20.32495 
1 1 1   15   -1    3 o  312.540   11.869  1224.00   92.635  1173.82  131.516  1273.40  130.499  304.970   17.341  317.839   16.499 -12.86972 23.93553 
1 1 1   15   -1    4 o  299.895   11.508  1126.90   86.185  1071.86  122.433  1180.97  121.344  291.410   16.897  306.107   15.929 -14.69727 23.22184 
1 1 1   15   -1    5 o  247.937   14.708  774.870   90.655   0.0000   0.0000  774.870   90.655  ?   ?   247.937   14.708 0.000000 14.70777 
1 1 1   15   -1    6 o  120.244   14.979  184.495   44.004  184.495   44.004   0.0000   0.0000  120.244   14.979  ?   ?  0.000000 14.97945 
1 1 1   15   -1    7 o  185.454   9.7644  431.926   45.061  410.364   64.357  452.661   63.112  180.124   14.429  189.390   13.432 -9.265778 19.71313 
1 1 1   15   -1    8 f  164.462   9.6138  339.934   39.311  306.961   56.637  370.585   54.607  155.531   14.759  171.320   12.858 -15.78897 19.57456 
1 1 1   15   -1    9 o  153.422   9.4186  295.955   35.910  309.699   52.431  283.810   49.285  156.389   13.560  149.698   13.323 6.691284 19.00978 
1 1 1   15   -1   10 o  273.348   10.849  937.254   74.053  949.346  105.993  925.724  103.503  274.012   15.554  270.608   15.380 3.403534 21.87432 
1 1 1   15   -1   11 o  273.262   10.772  936.878   73.505  970.317  105.279  905.073  102.675  277.012   15.278  267.472   15.438 9.539337 21.71983 
1 1 1   15   -1   12 o  229.020   9.8211  657.680   56.167  711.238   81.409  609.025   77.593  237.281   13.799  219.425   14.238 17.85669 19.82715 
1 1 1   15   -1   13 o   60.642   16.722   47.938   26.141   72.990   37.414   24.045   36.539   74.475   19.783   52.304   20.021 22.17140 28.14587 
1 1 1   15   -1   14 o  266.070   15.143  896.461  100.199  837.260  141.417  956.143  141.991  254.970   22.439  273.097   20.981 -18.12701 30.72008 
1 1 1   15   -1   15 o  160.038   10.792  323.083   42.876  364.435   73.701  301.928   52.715  168.632   17.769  154.166   13.840 14.46576 22.52344 
1 1 1   15   -1   16 o  290.924   11.271  1063.69   81.881  995.410  117.151  1128.90  114.490  279.829   16.843  298.484   15.413 -18.65469 22.83103 
1 1 1   15   -1   17 o  209.721   9.7590  551.945   51.109  545.572   74.465  557.620   70.276  207.397   14.469  209.900   13.479 -2.502640 19.77411 
1 1 1   15   -1   18 o  239.346   10.390  719.476   62.099  646.950   89.699  786.234   86.058  225.511   16.033  249.259   13.881 -23.74841 21.20674 
1 1 1   15   -1   19 o  255.296   10.733  819.035   68.423  761.542   99.116  871.378   94.573  244.626   16.319  262.249   14.497 -17.62230 21.82842 
1 1 1   15   -1   20 o   80.289   12.669   83.165   24.559   66.774   37.243   95.776   32.668   71.304   20.068   85.647   15.858 -14.34309 25.57793 
1 1 1   15   -1   21 o  120.664   10.406  184.318   31.049  139.219   45.854  222.505   42.194  103.052   18.498  132.208   12.947 -29.15570 22.57857 
1 1 1   15   -1   22 o  148.807   12.699  281.297   46.738  280.314  101.076  281.565   52.712  143.698   29.164  148.520   14.393 -4.821487 32.52222 
1 1 1   15   -1   23 o  200.856   16.164  515.854   80.387  491.719  127.090  531.948  103.786  192.007   27.272  202.449   20.826 -10.44147 34.31500 
1 1 1   15   -1   24 o  145.385   10.462  267.427   37.730  218.846   53.483  315.557   53.234  129.990   16.874  157.299   13.689 -27.30858 21.72833 
1 1 1   15   -1   25 o  271.085   11.596  928.037   78.497  809.511  111.242  1045.59  110.783  250.655   17.890  286.053   15.567 -35.39806 23.71466 
1 1 1   15   -1   26 o  112.477   11.603  161.683   32.122  161.510   42.832  161.905   48.562  111.334   15.854  110.775   18.186 0.5590744 24.12650 
1 1 1   15   -1   27 o  393.502   13.682  1975.05  134.446  1790.03  189.834  2161.25  190.440  369.163   20.675  407.918   18.695 -38.75586 27.87454 
1 1 1   15   -1   28 o  204.493   11.298  532.650   57.471  402.649   86.018  637.480   77.242  173.892   20.184  222.641   13.964 -48.74905 24.54361 
1 1 1   15   -1   29 o   76.793   17.607   80.059   33.044   94.855   35.160 -31.8860   96.712   83.790   17.374   62.367   28.365 21.42309 33.26309 
1 1 1   15   -1   30 o  138.862   11.154  247.736   38.351  223.237   48.808  287.271   62.002  130.161   15.309  146.889   17.230 -16.72847 23.04879 
1 1 1   15   -1   31 o   36.873   14.087   12.813   18.068   8.4452   19.683   36.188   45.534   35.666   14.371   58.072   22.321 -22.40545 26.54712 
1 1 1   15   -1   32 o   55.663   15.751   42.093   22.878   47.326   25.838   23.104   49.223   58.825   16.771   54.874   22.496 3.950836 28.05974 
1 1 1   15   -1   33 o  115.833   12.392  175.826   35.288  142.960   42.023  254.425   64.986  102.185   17.070  135.102   19.855 -32.91689 26.18411 
1 1 1   15   -1   34 o  128.384   22.644  240.056   69.944  190.142  134.346  258.616   81.922  100.799   38.436  130.436   26.062 -29.63748 46.43885 
1 1 1   15   -1   35 o   96.045   14.543  125.239   33.789  114.413   38.796  159.248   68.763   89.940   17.903   99.767   26.960 -9.827332 32.36311 
1 1 1   15   -1   36 o   83.659   15.869   97.915   31.940  109.131   36.122   57.714   68.385   87.714   17.106   66.253   26.754 21.46059 31.75527 
1 1 1   15    0    0 f  259.311   10.833  841.748   70.151  830.354   99.760  852.894   98.665  256.724   15.636  260.255   15.248 -3.530334 21.83975 
1 1 1   15    0    1 o  370.774   13.173  1723.17  121.969  1772.73  172.982  1674.16  172.003  375.369   18.454  364.223   18.977 11.14627 26.47023 
1 1 1   15    0    2 o  252.089   10.566  795.507   66.516  794.015   94.681  796.961   93.466  251.059   15.173  251.559   14.946 -0.5002136 21.29809 
1 1 1   15    0    3 o  270.759   10.771  917.886   72.826  925.990  103.885  910.055  102.120  271.128   15.407  268.798   15.277 2.330383 21.69703 
1 1 1   15    0    4 o  264.004   10.853  872.807   71.548  769.755  101.463  974.735  100.907  246.906   16.552  278.292   14.571 -31.38530 22.05152 
1 1 1   15    0    5 o   83.711   11.777   89.524   23.939   77.591   35.712   99.261   32.261   76.958   18.754   87.642   15.297 -10.68369 24.20150 
1 1 1   15    0    6 o  104.542   10.603  138.281   27.298  113.209   39.222  161.835   38.016   93.345   17.468  112.722   13.793 -19.37724 22.25763 
1 1 1   15    0    7 o  241.767   10.334  732.139   62.393  711.524   88.914  752.138   87.574  237.447   15.073  244.262   14.421 -6.815521 20.86092 
1 1 1   15    0    8 o  116.974   10.106  172.667   29.231  159.053   42.335  185.072   40.411  111.367   15.655  120.632   13.655 -9.264862 20.77387 
1 1 1   15    0    9 o  127.886   9.8223  206.077   31.128  212.200   45.909  200.866   42.351  129.109   14.489  125.700   13.714 3.409370 19.95059 
1 1 1   15    0   10 o  310.349   11.537  1208.49   89.412  1208.18  127.456  1208.79  125.463  309.079   16.574  309.220   16.306 -0.1412354 23.25006 
1 1 1   15    0   11 o   91.462   10.843  106.383   24.283  131.791   36.731   86.658   32.365  101.227   14.983   81.444   16.479 19.78338 22.27250 
1 1 1   15    0   12 o  156.621   9.3457  308.487   36.385  305.353   53.411  311.202   49.703  155.143   13.935  156.825   12.803 -1.681564 18.92364 
1 1 1   15    0   13 o   83.653   11.198   89.398   22.806   94.121   34.787   85.837   30.200   84.815   17.017   81.173   15.464 3.642319 22.99311 
1 1 1   15    0   14 o  114.276   9.9234  165.014   28.037  170.427   42.223  160.745   37.497  115.291   15.023  112.173   13.669 3.118546 20.31058 
1 1 1   15    0   15 o  120.716   9.8344  183.992   29.388  158.980   43.723  204.603   39.691  111.010   16.254  126.901   12.695 -15.89133 20.62434 
1 1 1   15    0   16 o  160.977   12.958  328.309   51.648  338.909   73.540  317.992   72.552  162.389   18.463  157.137   18.867 5.252213 26.39757 
1 1 1   15    0   17 o  181.535   13.118  417.209   59.069  414.307   83.857  420.067   83.219  179.558   18.990  180.894   18.692 -1.335281 26.64606 
1 1 1   15    0   18 o   78.911   11.791   80.007   22.522   94.258   35.053   69.987   29.392   84.758   17.150   72.930   16.522 11.82782 23.81376 
1 1 1   15    0   19 o  343.040   12.201  1481.15  104.519  1410.14  149.347  1549.31  146.325  332.679   18.045  349.608   16.760 -16.92850 24.62763 
1 1 1   15    0   20 o  206.213   9.8442  533.826   50.693  496.413   74.433  566.193   69.232  197.560   15.204  211.527   13.172 -13.96713 20.11629 
1 1 1   15    0   21 o  159.653   10.039  321.357   39.818  287.866   59.176  349.067   53.827  149.904   16.058  165.877   13.101 -15.97276 20.72449 
1 1 1   15    0   22 o  208.284   10.162  545.067   52.852  404.008   76.795  672.005   72.850  177.406   17.565  230.525   12.704 -53.11891 21.67807 
1 1 1   15    0   23 o  131.488   10.420  218.706   33.933  141.021   49.233  289.003   46.833  103.364   19.795  150.873   12.544 -47.50964 23.43469 
1 1 1   15    0   24 o  160.404   13.030  327.100   51.740  232.688  109.066  354.517   58.774  129.188   33.520  166.749   14.252 -37.56157 36.42351 
1 1 1   15    0   25 o  262.167   17.378  881.664  113.123  756.871  170.902  978.976  150.916  236.945   29.524  274.046   22.245 -37.10057 36.96604 
1 1 1   15    0   26 o  222.018   11.086  622.092   61.464  498.240   86.659  747.464   87.190  196.287   17.876  242.044   14.492 -45.75687 23.01192 
1 1 1   15    0   27 o   96.342   12.588  119.656   29.559  139.274   38.636   91.965   45.903  103.310   15.451   82.358   21.929 20.95242 26.82585 
1 1 1   15    0   28 o  195.175   15.725  492.545   75.990   0.0000   0.0000  492.545   75.990  ?   ?   195.175   15.725 0.000000 15.72462 
1 1 1   15    0   29 o  150.977   12.413  292.577   46.386  276.185   56.147  327.820   82.327  145.476   15.705  155.750   21.762 -10.27382 26.83651 
1 1 1   15    0   30 o  145.618   11.988  272.706   43.207  238.132   57.881  316.218   64.933  133.689   17.778  154.664   17.098 -20.97537 24.66613 
1 1 1   15    0   31 o  174.182   15.672  399.138   67.438  412.276   78.883  363.456  129.994  175.484   18.269  151.813   35.006 23.67194 39.48587 
1 1 1   15    0   32 o  161.663   11.176  336.464   44.841  317.085   57.523  366.479   71.590  155.040   15.047  165.191   17.627 -10.15173 23.17578 
1 1 1   15    0   33 o   96.381   13.068  122.533   30.641  101.548   35.966  178.081   58.515   85.894   17.365  111.988   21.708 -26.09462 27.79875 
1 1 1   15    0   34 o   81.644   14.625   90.078   28.722   80.677   33.044  119.129   58.088   75.967   17.740   89.000   25.068 -13.03266 30.70999 
1 1 1   15    0   35 o   44.691   15.659   24.654   21.586   25.871   23.396   17.690   55.966   45.938   16.284   54.864   23.339 -8.925858 28.45824 
1 1 1   15    0   36 o   51.370   22.471   6.8904   54.796   3.2525  131.649   7.6528   60.265   69.408   32.124   53.421   23.461 15.98750 39.77916 
1 1 1   15    1    0 o  531.682   17.300  3552.01  229.695  3510.46  324.941  3593.51  324.733  526.839   24.699  533.119   24.392 -6.279846 34.71327 
1 1 1   15    1    1 o  505.479   16.574  3209.19  209.212  3228.63  296.181  3189.83  295.562  505.514   23.462  502.444   23.556 3.070801 33.24744 
1 1 1   15    1    2 o  190.850   9.9860  457.023   47.427  429.356   67.601  483.841   66.554  184.406   14.805  195.975   13.685 -11.56914 20.16120 
1 1 1   15    1    3 o  275.614   10.812  950.995   74.417  940.298  105.691  961.511  104.798  273.236   15.554  276.357   15.244 -3.121277 21.77912 
1 1 1   15    1    4 o  657.059   29.444  5501.35  483.110   0.0000   0.0000  5501.35  483.110  ?   ?   657.059   29.444 0.000000 29.44361 
1 1 1   15    1    5 o  290.243   15.468  1061.03  111.710  1061.03  111.710   0.0000   0.0000  290.243   15.468  ?   ?  0.000000 15.46849 
1 1 1   15    1    6 o  302.518   11.215  1146.44   84.722  1185.46  120.552  1108.37  119.090  306.728   15.792  296.499   16.145 10.22977 22.58461 
1 1 1   15    1    7 o  227.817   10.095  649.870   57.432  653.614   81.698  646.213   80.753  227.685   14.444  226.400   14.358 1.284607 20.36584 
1 1 1   15    1    8 o  210.856   10.005  556.790   52.680  475.718   75.051  635.527   73.963  193.870   15.635  224.635   13.244 -30.76588 20.49048 
1 1 1   15    1    9 o  539.091   17.326  3663.66  233.249  3557.39  330.122  3769.60  329.606  528.484   25.014  544.343   24.248 -15.85858 34.83789 
1 1 1   15    1   10 o  443.036   14.865  2469.47  164.453  2440.11  233.065  2498.59  232.080  438.653   21.277  443.988   20.932 -5.335510 29.84728 
1 1 1   15    1   11 o  183.724   9.5469  424.014   43.650  432.930   63.236  415.900   60.326  185.055   13.783  181.418   13.411 3.637146 19.23082 
1 1 1   15    1   12 o  178.548   9.5055  400.594   42.229  383.773   61.294  415.792   58.263  174.053   14.227  181.430   12.945 -7.377167 19.23445 
1 1 1   15    1   13 o  197.065   9.5028  486.736   46.764  515.798   67.770  460.319   64.612  202.030   13.511  190.781   13.652 11.24861 19.20749 
1 1 1   15    1   14 o  333.835   12.098  1400.56  100.853  1381.83  143.699  1418.74  141.579  329.987   17.501  334.527   17.004 -4.540314 24.40113 
1 1 1   15    1   15 o  272.818   10.821  934.366   73.719  918.212  105.806  949.606  102.769  269.179   15.810  273.936   15.081 -4.757446 21.84941 
1 1 1   15    1   16 o  340.874   12.348  1461.45  105.113  1426.75  149.865  1495.04  147.469  334.981   17.981  343.166   17.264 -8.184967 24.92715 
1 1 1   15    1   17 o  231.081   10.233  670.198   59.052  635.599   85.353  701.964   81.785  223.803   15.365  235.567   13.965 -11.76434 20.76349 
1 1 1   15    1   18 o   69.141   15.879   62.833   26.839   93.785   39.913   37.286   36.261   84.228   19.379   57.547   20.286 26.68098 28.05473 
1 1 1   15    1   19 o  374.403   18.585  1782.04  173.760  1570.26  245.523  1994.55  245.944  346.202   28.657  392.434   25.231 -46.23245 38.18137 
1 1 1   15    1   20 o  119.149   10.047  179.469   29.614  142.455   44.735  208.344   39.511  104.546   17.771  128.039   12.517 -23.49281 21.73710 
1 1 1   15    1   21 f  274.147   10.889  944.610   74.542  938.855  107.759  949.892  103.225  271.843   15.944  273.665   15.164 -1.821930 22.00340 
1 1 1   15    1   22 o  198.202   9.8024  493.239   48.516  454.578   71.573  526.106   65.992  188.930   15.302  203.863   13.031 -14.93222 20.09857 
1 1 1   15    1   23 o  131.973   10.178  220.115   33.284  158.889   49.102  272.166   45.274  110.260   18.488  146.426   12.501 -36.16537 22.31758 
1 1 1   15    1   24 o  119.523   10.833  181.168   31.982  153.322   46.384  206.404   44.157  108.386   17.752  126.992   14.166 -18.60651 22.71129 
1 1 1   15    1   25 o  403.871   13.783  2063.99  139.010  1754.82  197.346  2368.47  195.842  368.317   21.550  430.508   18.217 -62.19131 28.21824 
1 1 1   15    1   26 o  374.154   16.079  1783.76  150.233  1294.33  267.701  2008.77  181.511  305.399   35.780  395.844   18.362 -90.44543 40.21682 
1 1 1   15    1   27 o   74.693   22.203   74.082   44.452   0.9322   89.970   97.706   51.129   67.210   29.102   84.972   23.367 -17.76157 37.32265 
1 1 1   15    1   28 o  144.626   10.750  265.785   38.545  226.839   51.838  313.949   57.646  132.097   16.044  156.046   14.977 -23.94930 21.94839 
1 1 1   15    1   29 o  232.432   11.296  685.313   65.567  587.881   90.514  792.887   95.109  212.469   17.207  247.890   15.441 -35.42116 23.11961 
1 1 1   15    1   30 o  166.251   10.782  352.382   44.520  301.506   58.952  419.909   67.918  151.922   15.769  179.753   15.275 -27.83038 21.95436 
1 1 1   15    1   31 o  165.092   11.064  348.891   45.350  321.091   59.660  386.941   69.797  156.524   15.466  171.407   16.511 -14.88336 22.62266 
1 1 1   15    1   32 o   83.698   17.269   95.476   34.897  106.036   36.626  -8.4749  114.914   88.328   17.224   69.708   31.387 18.62002 35.80206 
1 1 1   15    1   33 o   60.314   15.378   49.520   23.233   45.570   25.670   67.411   54.628   57.917   16.779   70.729   24.903 -12.81180 30.02807 
1 1 1   15    1   34 o   75.755   15.045   77.811   27.458   80.370   31.530   69.779   55.862   76.315   16.983   71.239   25.172 5.075584 30.36484 
1 1 1   15    1   35 o  124.373   13.269  204.168   40.574  215.796   49.503  180.369   70.821  126.387   16.046  108.702   26.361 17.68498 30.86115 
1 1 1   15    1   36 o   51.501   15.863   36.054   22.411   21.588   24.434  112.717   56.249   44.072   16.483   85.715   24.840 -41.64288 29.81110 
1 1 1   15    1   37 o   74.600   25.807   86.066   58.536 -65.2893  126.871  126.999   65.978   61.349   29.334   88.250   27.224 -26.90069 40.01990 
1 1 1   15    2    0 o  415.808   13.695  2167.18  142.206  2262.21  201.610  2073.08  200.612  424.060   19.039  405.824   19.796 18.23672 27.46511 
1 1 1   15    2    1 o  286.893   10.450  1030.04   74.869  1084.58  106.619  976.990  105.157  294.078   14.519  278.648   15.169 15.42975 20.99768 
1 1 1   15    2    2 o  393.937   13.252  1944.93  130.368  1906.33  184.394  1983.51  184.342  389.245   18.970  397.107   18.589 -7.861633 26.56008 
1 1 1   15    2    3 o  291.184   15.858  1067.62  114.874  1138.56  166.252  1002.80  158.909  299.518   22.390  280.893   22.853 18.62564 31.99288 
1 1 1   15    2    4 o  301.292   15.999  1143.19  119.943  1270.39  173.035  1025.55  166.409  316.490   22.031  283.836   23.695 32.65445 32.35437 
1 1 1   15    2    5 o  262.480   14.629  867.253   95.505  1025.98  139.654  727.803  130.900  284.667   19.768  239.049   22.181 45.61865 29.71151 
1 1 1   15    2    6 f  154.184   13.668  300.520   52.081  294.207   79.400  305.286   68.997  151.140   21.656  154.686   18.211 -3.546448 28.29540 
1 1 1   15    2    7 o  346.236   18.068  1513.74  155.677  1419.92  222.521  1603.69  217.873  332.998   26.992  354.695   24.753 -21.69739 36.62336 
1 1 1   15    2    8 f  458.266   17.596  2645.10  201.359  2692.21  247.372  2552.58  346.648  461.351   21.472  444.972   31.398 16.37921 38.03770 
1 1 1   15    2    9 o  346.128   12.106  1502.52  104.634  1472.39  148.361  1532.34  147.592  341.390   17.461  348.805   16.944 -7.414886 24.33124 
1 1 1   15    2   10 o  176.322   9.6380  390.512   42.276  377.597   60.623  402.738   58.986  172.766   14.177  178.593   13.322 -5.826950 19.45385 
1 1 1   15    2   11 o  170.693   9.4727  366.056   40.219  380.521   58.268  352.894   55.584  173.495   13.557  167.058   13.438 6.437424 19.08810 
1 1 1   15    2   12 o  193.438   9.6376  468.840   46.555  458.749   67.298  478.099   64.469  190.429   14.255  194.578   13.349 -4.148895 19.52970 
1 1 1   15    2   13 o  330.510   11.856  1371.66   97.853  1393.72  139.459  1350.26  137.335  331.781   16.888  326.551   16.899 5.230225 23.89131 
1 1 1   15    2   14 o  429.612   14.560  2325.38  156.201  2280.19  221.622  2369.97  220.188  423.384   20.962  431.842   20.418 -8.458344 29.26261 
1 1 1   15    2   15 o  413.189   13.965  2150.29  144.092  2155.72  204.884  2144.97  202.689  411.869   19.920  410.900   19.753 0.9683533 28.05390 
1 1 1   15    2   16 o  247.891   10.414  771.134   64.469  764.497   92.933  777.290   89.508  245.665   15.224  247.878   14.524 -2.213470 21.04033 
1 1 1   15    2   17 o  129.401   9.7296  211.198   31.210  174.440   46.563  241.183   42.055  116.330   16.491  137.939   12.339 -21.60899 20.59609 
1 1 1   15    2   18 o  186.657   9.7306  438.244   45.199  366.400   65.926  501.966   62.088  169.557   15.750  199.342   12.536 -29.78491 20.13029 
1 1 1   15    2   19 o   93.872   10.804  112.119   24.865   89.347   38.254  128.777   32.719   82.236   19.009  100.232   13.408 -17.99626 23.26154 
1 1 1   15    2   20 o  172.158   11.407  374.187   48.763  356.749   62.649  400.990   77.670  167.367   15.154  176.888   17.826 -9.521347 23.39714 
1 1 1   15    2   21 o  154.331   12.924  302.115   49.348  233.550   69.576  371.526   70.003  133.523   21.604  170.449   16.659 -36.92572 27.28160 
1 1 1   15    2   22 o  140.357   9.8640  248.514   34.353  225.139   51.457  267.310   46.143  132.444   15.875  145.092   12.869 -12.64801 20.43549 
1 1 1   15    2   23 o  166.454   9.7034  349.016   40.159  282.067   59.459  405.173   54.457  148.297   16.326  178.945   12.260 -30.64856 20.41743 
1 1 1   15    2   24 o  132.472   10.658  222.039   34.959  191.670   51.693  247.634   47.457  121.577   17.534  139.353   13.820 -17.77586 22.32516 
1 1 1   15    2   25 o  215.517   10.332  584.036   55.606  536.594   80.526  627.275   76.878  205.028   15.851  222.301   13.919 -17.27335 21.09484 
1 1 1   15    2   26 o  203.331   9.8642  519.872   50.086  384.128   71.867  648.065   69.840  172.847   16.865  226.228   12.410 -53.38147 20.93886 
1 1 1   15    2   27 o   89.815   19.256  107.511   41.890   0.0000   0.0000  107.511   41.890  ?   ?    89.815   19.256 0.000000 19.25550 
1 1 1   15    2   28 o   75.151   30.639   40.831   90.681   40.831   90.681   0.0000   0.0000   75.151   30.639  ?   ?  0.000000 30.63923 
1 1 1   15    2   29 o   42.359   15.479   18.931   21.331   14.737   24.245   33.304   44.879   41.805   16.227   58.233   22.213 -16.42709 27.50840 
1 1 1   15    2   30 o  213.562   11.122  580.229   59.111  492.072   81.442  678.369   85.930  194.219   16.962  229.222   15.096 -35.00308 22.70724 
1 1 1   15    2   31 o  128.736   11.478  212.698   36.511  194.337   47.043  240.512   57.900  121.508   15.884  134.614   17.649 -13.10587 23.74451 
1 1 1   15    2   32 o   89.995   13.093  106.165   28.562   99.605   34.430  120.642   51.148   85.934   16.645   92.565   22.375 -6.631447 27.88762 
1 1 1   15    2   33 o  203.843   11.054  533.014   56.058  438.976   73.705  662.059   86.341  182.028   16.390  224.448   15.500 -42.41959 22.55849 
1 1 1   15    2   34 o   91.857   16.892  114.896   37.320  114.992   38.571  113.483  147.773   91.639   17.493   91.971   38.455 -0.3320160 42.24715 
1 1 1   15    2   35 o   67.606   15.837   62.774   26.267   56.823   29.820   83.379   55.488   63.951   17.943   75.945   25.133 -11.99389 30.88080 
1 1 1   15    2   36 o  138.720   12.258  251.931   42.026  214.876   51.006  330.272   74.165  125.610   16.673  153.690   19.783 -28.08026 25.87216 
1 1 1   15    2   37 o  108.893   13.650  158.672   36.302  150.660   42.945  178.726   67.944  104.170   17.103  107.345   25.689 -3.175285 30.86167 
1 1 1   15    3    0 o  277.061   9.7310  960.321   67.326  997.802   95.539  923.345   94.892  282.158   13.559  271.027   14.069 11.13086 19.53944 
1 1 1   15    3    1 o  311.614   16.267  1222.33  126.145  1337.17  181.960  1116.06  175.034  324.785   22.575  296.310   23.857 28.47485 32.84544 
1 1 1   15    3    2 o  364.096   18.051  1666.52  164.118  1761.61  235.055  1576.06  229.251  372.266   25.437  351.806   26.285 20.46030 36.57811 
1 1 1   15    3    3 o  293.287   22.650  1092.08  164.603   0.0000   0.0000  1092.08  164.603  ?   ?   293.287   22.650 0.000000 22.65015 
1 1 1   15    3    4 o  407.239   19.965  2088.99  203.031  1983.41  288.482  2192.61  285.795  393.725   29.557  414.648   27.761 -20.92249 40.54985 
1 1 1   15    3    5 o  325.055   17.551  1332.40  141.939  1110.49  202.467  1546.87  199.040  294.362   27.876  349.141   22.957 -54.77881 36.11216 
1 1 1   15    3    6 o  197.303   13.114  490.199   64.244  628.417   96.699  380.987   85.955  222.847   17.518  172.668   20.324 50.17862 26.83149 
1 1 1   15    3    7 o  380.295   18.581  1821.62  176.454  1928.47  252.425  1719.53  246.758  388.802   26.151  366.735   27.137 22.06744 37.68671 
1 1 1   15    3    8 o  228.877   14.114  660.049   80.273  735.895  118.212  595.146  109.352  240.702   19.844  216.162   20.503 24.54021 28.53328 
1 1 1   15    3    9 o  274.306   15.420  948.878  105.195  1003.85  152.566  899.055  145.239  280.779   21.933  265.589   22.100 15.19058 31.13619 
1 1 1   15    3   10 o  277.624   14.643  971.420  101.158  1217.19  147.984  755.850  138.595  309.873   19.219  242.984   23.120 66.88911 30.06488 
1 1 1   15    3   11 o  232.818   14.349  683.992   83.017  749.532  122.633  628.550  112.790  242.493   20.442  221.885   20.591 20.60793 29.01484 
1 1 1   15    3   12 o  155.303   13.642  305.453   52.369  319.591   80.943  295.273   68.681  157.391   21.128  151.766   18.506 5.625000 28.08637 
1 1 1   15    3   13 f  341.477   14.246  1467.37  121.483  1427.35  149.510  1545.14  208.409  335.573   17.906  347.088   24.196 -11.51559 30.10152 
1 1 1   15    3   14 o  332.996   12.165  1392.95  101.157  1368.50  144.008  1416.77  142.125  328.519   17.618  334.431   17.075 -5.912689 24.53491 
1 1 1   15    3   15 o  139.861   9.4156  246.276   32.693  227.015   48.010  262.931   44.644  133.441   14.648  144.090   12.532 -10.64949 19.27779 
1 1 1   15    3   16 o  178.839   9.6241  402.165   42.823  389.506   62.579  413.312   58.725  175.222   14.430  180.777   13.097 -5.554977 19.48759 
1 1 1   15    3   17 o  195.373   9.5526  478.638   46.605  481.216   68.002  476.355   64.000  194.922   14.065  194.077   13.285 0.8441620 19.34743 
1 1 1   15    3   18 o  361.512   12.900  1644.98  116.459  1581.72  165.902  1706.43  163.520  352.391   18.922  366.861   17.849 -14.46948 26.01230 
1 1 1   15    3   19 o   79.023   11.567   80.118   22.149   69.760   34.423   87.437   28.935   72.753   18.809   82.044   14.661 -9.290840 23.84799 
1 1 1   15    3   20 o  252.335   10.559  799.560   66.537  743.041   96.102  851.598   92.214  241.855   16.003  259.423   14.290 -17.56808 21.45393 
1 1 1   15    3   21 o  152.850   9.4902  294.204   36.045  284.750   54.050  301.777   48.372  149.479   14.669  154.310   12.665 -4.830658 19.37952 
1 1 1   15    3   22 o  148.460   9.8518  277.841   36.316  207.289   53.854  336.681   49.182  126.667   17.492  163.115   12.162 -36.44739 21.30471 
1 1 1   15    3   23 o  175.112   13.059  388.631   56.696  292.049   78.971  491.367   81.448  149.516   21.792  196.141   16.791 -46.62511 27.50994 
1 1 1   15    3   24 o  282.250   12.593  1004.01   88.756  861.090  150.708  1079.89  109.822  257.392   23.714  291.750   15.126 -34.35776 28.12723 
1 1 1   15    3   25 o   73.466   13.672   70.306   24.160   48.596   34.451   91.313   33.890   62.096   19.748   83.340   16.863 -21.24328 25.96849 
1 1 1   15    3   26 o   74.742   13.709   72.789   24.645   33.477   33.736  117.772   36.088   54.841   19.542   95.125   15.742 -40.28446 25.09391 
1 1 1   15    3   27 o  139.178   10.569  245.275   36.457  189.964   51.548  300.630   51.568  120.760   17.612  153.521   13.592 -32.76115 22.24679 
1 1 1   15    3   28 o  102.979   12.141  135.888   30.621  142.240   40.993  127.870   46.056  104.387   16.255   97.994   19.506 6.393539 25.39132 
1 1 1   15    3   29 o  122.464   11.087  191.087   33.539  166.276   45.072  221.871   50.204  112.764   16.494  130.814   15.681 -18.05025 22.75828 
1 1 1   15    3   30 o  191.063   17.263  475.353   81.476  322.968  132.393  568.249  103.369  147.160   36.262  207.514   20.204 -60.35451 41.51024 
1 1 1   15    3   31 o   82.533   14.370   89.804   28.540   96.509   33.408   71.695   54.907   85.057   16.322   73.988   25.009 11.06842 29.86429 
1 1 1   15    3   32 o  109.220   11.858  154.006   31.822  148.227   39.739  164.336   53.126  105.931   15.479  109.741   20.128 -3.809273 25.39171 
1 1 1   15    3   33 o  130.487   11.909  219.853   38.378  237.039   48.925  192.363   61.877  134.351   14.830  117.543   21.886 16.80816 26.43715 
1 1 1   15    3   34 o   57.291   15.251   44.463   22.204   36.293   24.857   76.732   49.401   52.598   16.779   73.978   23.661 -21.38007 29.00669 
1 1 1   15    3   35 o   71.113   15.897   69.113   27.521   83.345   32.076   29.407   53.576   77.856   16.977   58.191   23.617 19.66494 29.08560 
1 1 1   15    3   36 o   77.240   17.864   83.306   33.771   87.160   34.269 -46.3550  198.772   79.068   17.787   78.953   37.456 0.1150131 41.46482 
1 1 1   15    3   37 o   80.059   14.812   87.277   28.522   85.582   32.444   93.044   59.846   78.288   17.076   78.464   26.108 -0.1758194 31.19651 
1 1 1   15    3   38 o   82.771   15.212   94.275   30.284   87.578   34.522  116.643   63.086   78.362   18.018   85.556   26.658 -7.193596 32.17592 
1 1 1   15    4    0 o   93.370   15.448  112.255   34.760   57.306   56.834  145.092   43.935   71.925   25.392  106.152   17.160 -34.22636 30.64675 
1 1 1   15    4    1 o  322.679   17.095  1311.50  137.260  1288.28  197.040  1333.38  191.315  318.224   24.997  324.054   23.808 -5.830353 34.52062 
1 1 1   15    4    2 o  474.759   31.945  2886.22  376.530   0.0000   0.0000  2886.22  376.530  ?   ?   474.759   31.945 0.000000 31.94547 
1 1 1   15    4    3 o  230.233   21.472  673.934  122.027  673.934  122.027   0.0000   0.0000  230.233   21.472  ?   ?  0.000000 21.47229 
1 1 1   15    4    4 o  438.802   14.563  2415.26  159.575  2503.04  226.078  2328.10  225.270  445.736   20.311  429.748   20.991 15.98871 29.20901 
1 1 1   15    4    5 o  583.028   18.415  4276.71  268.113  4319.98  379.410  4233.54  378.928  583.764   26.027  577.816   26.261 5.948242 36.97366 
1 1 1   15    4    6 o  424.235   14.151  2257.74  149.913  2319.68  212.407  2196.26  211.614  429.047   19.825  417.384   20.303 11.66318 28.37666 
1 1 1   15    4    7 o  534.415   16.142  3588.93  215.420  3920.56  305.727  3261.94  303.585  557.041   21.978  507.540   23.953 49.50052 32.50839 
1 1 1   15    4    8 o  119.010   10.066  178.569   29.633  176.249   42.342  180.795   41.487  117.571   14.746  119.186   14.220 -1.614342 20.48544 
1 1 1   15    4    9 o  124.746   9.6585  195.964   29.853  181.134   43.130  209.605   41.363  119.182   14.811  128.607   13.061 -9.424782 19.74683 
1 1 1   15    4   10 o  336.473   12.238  1419.92  102.826  1366.95  145.748  1472.41  145.091  328.850   17.815  341.929   16.992 -13.07858 24.61915 
1 1 1   15    4   11 o  241.515   10.377  730.824   62.585  677.983   88.938  782.656   88.085  231.628   15.465  249.159   14.216 -17.53017 21.00615 
1 1 1   15    4   12 o  306.867   13.041  1182.70   99.934  1331.30  177.136  1113.32  121.036  323.098   22.087  296.787   16.395 26.31042 27.50666 
1 1 1   15    4   13 o  451.941   21.439  2593.86  241.958  2671.27  344.975  2518.92  339.451  453.767   30.623  440.341   31.069 13.42596 43.62452 
1 1 1   15    4   14 o  343.580   17.879  1496.52  152.872  1492.36  219.546  1500.44  212.990  340.254   26.036  341.535   25.150 -1.280823 36.19972 
1 1 1   15    4   15 o  111.648   15.151  159.931   41.150  114.048   68.122  186.293   51.635   93.224   27.428  120.114   17.749 -26.88998 32.67011 
1 1 1   15    4   16 o  319.504   13.538  1284.90  108.012  1304.81  133.405  1247.02  184.035  320.880   16.706  311.303   23.855 9.577728 29.12349 
1 1 1   15    4   17 o  206.540   9.6706  534.914   49.878  553.104   72.607  518.660   68.636  209.081   13.987  202.502   13.653 6.579132 19.54560 
1 1 1   15    4   18 o  358.701   12.802  1619.00  114.670  1576.53  163.498  1660.11  160.869  351.970   18.669  361.927   17.799 -9.956512 25.79390 
1 1 1   15    4   19 o   60.405   13.198   47.712   19.351   39.329   30.442   53.396   25.067   56.749   18.608   63.764   15.819 -7.014904 24.42326 
1 1 1   15    4   20 o  192.954   9.7520  468.264   46.837  460.141   68.728  475.307   63.999  190.420   14.564  193.804   13.304 -3.384293 19.72591 
1 1 1   15    4   21 o   72.030   12.260   67.063   21.263   82.749   33.793   56.783   27.356   79.276   17.535   65.715   16.650 13.56141 24.18084 
1 1 1   15    4   22 f  162.725   9.5697  333.351   38.716  288.941   57.715  369.682   52.203  150.385   15.595  170.954   12.311 -20.56990 19.86885 
1 1 1   15    4   23 o  215.219   9.7887  581.368   52.608  548.421   77.203  609.929   71.880  207.788   14.979  219.597   13.169 -11.80855 19.94465 
1 1 1   15    4   24 o  152.092   9.8656  291.627   37.268  272.303   55.356  307.647   50.401  145.911   15.426  155.677   13.086 -9.766251 20.22899 
1 1 1   15    4   25 o   31.656   14.004  -6.9516   21.840 -16.6903   27.125   10.997   36.824   32.947   14.999   47.629   19.484 -14.68200 24.58840 
1 1 1   15    4   26 o  124.098   22.014  203.616   65.722   0.0000   0.0000  203.616   65.722  ?   ?   124.098   22.014 0.000000 22.01410 
1 1 1   15    4   27 o   85.930   15.393   96.442   31.818  123.913   37.152   20.855   61.626   97.590   15.784   61.564   25.197 36.02632 29.73247 
1 1 1   15    4   28 o  258.573   11.586  843.768   74.809  811.927  106.987  874.230  104.645  251.528   17.135  261.446   16.107 -9.918030 23.51677 
1 1 1   15    4   29 o  201.591   9.9978  512.123   50.330  492.847   71.289  531.278   71.066  196.215   14.655  203.962   14.038 -7.747269 20.29395 
1 1 1   15    4   30 o  161.218   11.227  330.478   44.916  334.928   62.076  325.589   65.071  160.965   15.641  158.306   16.713 2.658905 22.89026 
1 1 1   15    4   31 o   63.852   14.298   54.190   22.231   41.418   26.425   85.121   41.123   56.327   17.205   79.013   20.622 -22.68563 26.85645 
1 1 1   15    4   32 o   53.871   20.933   26.968   40.382   8.0530   95.891   31.046   44.522   68.599   29.874   56.825   22.008 11.77423 37.10510 
1 1 1   15    4   33 o   98.661   12.943  126.956   31.119  122.188   36.527  139.579   59.427   95.784   15.824   99.061   24.225 -3.277245 28.93491 
1 1 1   15    4   34 o  134.511   11.929  233.786   39.655  237.441   50.509  227.911   64.026  134.123   15.357  128.702   20.618 5.421524 25.70846 
1 1 1   15    4   35 o   90.074   13.295  107.087   29.006   96.162   34.145  135.407   54.976   83.958   16.871   97.106   23.022 -13.14816 28.54194 
1 1 1   15    4   36 o   93.545   13.367  115.826   30.337  110.031   35.782  130.643   57.213   89.837   16.560   94.270   24.185 -4.432785 29.31138 
1 1 1   15    4   37 o   52.411   16.037   37.086   22.950   29.516   25.244   73.144   55.095   48.600   16.940   71.800   25.025 -23.19937 30.21956 
1 1 1   15    4   38 o   98.290   17.493  134.559   41.362  127.439   41.783  482.209  291.967   95.180   18.243  122.530   52.741 -27.35004 55.80750 
1 1 1   15    5    0 o  268.010   15.162  904.012  101.058  952.129  146.697  860.553  139.416  273.980   21.617  260.385   21.637 13.59570 30.58509 
1 1 1   15    5    1 o  396.383   18.934  1976.46  187.418  2141.07  268.147  1819.23  262.056  410.341   26.307  377.650   27.987 32.69095 38.41001 
1 1 1   15    5    2 o  214.611   14.707  580.362   78.344  446.131  114.249  699.502  107.636  186.161   25.226  235.141   18.480 -48.97978 31.27041 
1 1 1   15    5    3 o  320.253   11.977  1284.48   95.781  1249.16  135.570  1319.67  135.339  314.833   17.310  323.708   16.800 -8.875092 24.12250 
1 1 1   15    5    4 o  410.636   13.911  2114.25  142.644  2083.21  201.875  2145.21  201.584  406.724   19.876  412.788   19.556 -6.063507 27.88356 
1 1 1   15    5    5 o  231.131   9.6794  668.416   55.868  712.051   79.580  626.013   78.449  237.949   13.448  222.970   14.163 14.97931 19.53020 
1 1 1   15    5    6 o  301.151   10.952  1135.53   82.365  1163.49  116.854  1107.92  116.112  304.034   15.442  296.620   15.732 7.414581 22.04413 
1 1 1   15    5    7 o  523.964   17.110  3452.27  223.870  3323.22  316.626  3581.28  316.573  512.101   24.759  531.899   23.834 -19.79816 34.36687 
1 1 1   15    5    8 o  297.732   10.801  1110.11   80.301  1163.51  114.243  1057.96  112.896  304.385   15.030  289.765   15.660 14.61987 21.70573 
1 1 1   15    5    9 o  154.889   9.4423  301.377   36.347  288.803   52.126  313.277   50.709  151.051   13.977  157.508   13.009 -6.456726 19.09441 
1 1 1   15    5   10 o  471.296   15.588  2792.97  183.462  2748.67  259.811  2837.02  259.100  465.827   22.335  473.379   21.918 -7.552307 31.29313 
1 1 1   15    5   11 o  236.694   10.199  701.784   60.285  695.856   85.878  707.542   84.646  234.829   14.719  236.858   14.379 -2.028107 20.57688 
1 1 1   15    5   12 o  190.049   9.6469  453.535   45.633  432.617   65.356  473.434   63.744  184.973   14.259  193.708   13.257 -8.735443 19.46992 
1 1 1   15    5   13 o  155.531   9.5917  304.175   37.071  259.156   53.341  346.236   51.559  142.688   15.204  165.585   12.563 -22.89667 19.72264 
1 1 1   15    5   14 o  221.392   9.7652  614.241   53.988  590.099   77.440  637.070   75.305  216.059   14.436  224.701   13.483 -8.642197 19.75319 
1 1 1   15    5   15 o  183.080   9.5989  421.227   43.732  406.396   63.268  434.794   60.516  179.114   14.263  185.497   13.149 -6.383469 19.39964 
1 1 1   15    5   16 o  105.506   11.961  141.603   30.956  140.895   64.602  141.814   35.269  102.829   25.325  105.277   13.744 -2.448006 28.81404 
1 1 1   15    5   17 o  287.398   16.064  1046.37  114.827  1080.22  167.129  1016.10  158.033  289.765   23.294  281.191   22.699 8.573334 32.52478 
1 1 1   15    5   18 o  308.768   16.638  1209.04  127.813  1266.93  185.565  1156.78  176.301  313.580   23.877  299.611   23.759 13.96893 33.68333 
1 1 1   15    5   19 o  121.332   11.512  186.609   34.464  183.986   44.461  190.558   54.551  119.803   15.204  121.204   18.619 -1.401505 24.03767 
1 1 1   15    5   20 o  282.510   11.012  1002.49   77.685  978.127  111.646  1025.35  108.163  277.651   16.173  284.537   15.278 -6.886200 22.24825 
1 1 1   15    5   21 o  147.171   9.4795  272.774   34.653  256.541   51.957  285.781   46.508  141.795   14.896  150.188   12.515 -8.393250 19.45532 
1 1 1   15    5   22 o  188.498   9.7290  446.984   45.639  428.776   67.297  462.491   62.103  183.702   14.795  191.180   13.087 -7.478073 19.75290 
1 1 1   15    5   23 o  351.967   12.771  1560.20  112.249  1437.34  160.317  1678.36  157.217  335.487   19.216  363.742   17.308 -28.25510 25.86186 
1 1 1   15    5   24 o  138.217   10.002  241.083   34.288  234.696   51.590  246.136   45.891  135.348   15.546  139.094   13.377 -3.746536 20.50896 
1 1 1   15    5   25 o  152.875   9.6775  294.543   36.754  241.026   54.518  339.132   49.763  136.979   16.255  163.648   12.266 -26.66846 20.36415 
1 1 1   15    5   26 o  139.057   12.728  245.809   43.708  168.094   98.088  265.063   48.823  111.187   32.966  144.242   13.720 -33.05578 35.70707 
1 1 1   15    5   27 o   96.111   18.638  121.785   43.118  121.785   43.118   0.0000   0.0000   96.111   18.638  ?   ?  0.000000 18.63815 
1 1 1   15    5   28 o  265.740   14.596  898.256   96.488  777.347  131.229  1040.54  142.357  244.400   21.729  283.746   20.223 -39.34578 29.68353 
1 1 1   15    5   29 o  211.017   10.169  560.892   53.587  522.089   76.789  597.727   74.817  201.916   15.344  216.590   13.906 -14.67384 20.70814 
1 1 1   15    5   30 o  128.862   9.9161  210.562   31.664  149.009   42.315  288.887   47.733  106.687   16.409  150.359   12.836 -43.67236 20.83266 
1 1 1   15    5   31 o  100.388   11.890  129.588   29.228  118.400   37.443  147.039   46.763   94.664   16.435  105.074   18.497 -10.41035 24.74422 
1 1 1   15    5   32 o  129.912   11.927  216.499   38.261  234.293   50.905  193.392   58.008  134.008   15.498  119.840   20.095 14.16839 25.37688 
1 1 1   15    5   33 o   50.922   14.527   34.329   19.378   24.933   22.105   65.532   40.281   45.756   15.857   69.521   21.242 -23.76540 26.50815 
1 1 1   15    5   34 o   48.594   20.097   13.057   39.731   76.973  102.913   1.8624   43.070   82.173   32.948   46.974   20.238 35.19898 38.66703 
1 1 1   15    5   35 o   92.258   13.609  112.292   30.412  105.051   36.516  128.683   54.941   87.828   17.265   94.741   23.368 -6.913544 29.05423 
1 1 1   15    5   36 o   44.954   14.927   25.518   19.566   23.483   21.363   36.102   48.731   44.337   15.576   58.832   22.958 -14.49437 27.74297 
1 1 1   15    5   37 o  127.890   13.599  215.537   42.765  240.751   53.213  169.555   71.862  133.792   16.262  105.457   27.132 28.33478 31.63187 
1 1 1   15    5   38 o  151.686   13.301  303.319   49.873  298.687   62.191  311.666   83.481  148.006   17.144  145.974   23.715 2.031708 29.26325 
1 1 1   15    5   39 o   32.157   13.824   0.6411   20.010   3.8153   21.258 -24.0372   59.274   34.311   14.479   47.331   21.781 -13.02002 26.15424 
1 1 1   15    6    0 o  199.688   14.567  502.774   72.137  308.805  104.865  677.021   99.391  153.615   28.382  231.477   17.320 -77.86198 33.24952 
1 1 1   15    6    1 o  621.792   40.602  5015.99  626.985   0.0000   0.0000  5015.99  626.985  ?   ?   621.792   40.602 0.000000 40.60246 
1 1 1   15    6    2 o  479.909   22.544  2906.86  270.171  2906.86  270.171   0.0000   0.0000  479.909   22.544  ?   ?  0.000000 22.54386 
1 1 1   15    6    3 o  271.296   10.978  921.369   74.372  898.635  105.279  944.015  105.077  267.091   15.856  273.837   15.429 -6.745880 22.12370 
1 1 1   15    6    4 o  294.971   10.801  1089.15   79.560  1115.15  112.791  1063.41  112.240  297.712   15.222  290.662   15.520 7.050537 21.73890 
1 1 1   15    6    5 o  141.930   9.7324  253.232   34.286  236.112   48.899  269.787   48.086  136.424   14.579  146.104   13.326 -9.679947 19.75207 
1 1 1   15    6    6 o  264.515   10.579  875.888   69.876  887.888   99.333  864.132   98.314  265.551   15.041  261.955   15.093 3.596436 21.30825 
1 1 1   15    6    7 o  284.795   10.644  1015.48   75.700  1067.34  107.559  964.585  106.560  291.229   14.839  276.719   15.483 14.50967 21.44551 
1 1 1   15    6    8 o   96.241   10.231  117.257   24.212  120.528   34.980  114.248   33.548   96.865   14.942   94.291   14.730 2.574509 20.98123 
1 1 1   15    6    9 o  371.917   12.984  1734.88  120.587  1719.41  170.829  1750.25  170.244  368.927   18.603  372.736   18.290 -3.809479 26.08811 
1 1 1   15    6   10 o  469.676   15.276  2772.70  179.166  2779.59  253.725  2765.85  253.035  468.689   21.678  467.531   21.673 1.157623 30.65413 
1 1 1   15    6   11 o  440.551   14.911  2439.80  164.041  2343.44  232.213  2535.79  231.766  429.618   21.715  447.727   20.729 -18.10910 30.02100 
1 1 1   15    6   12 o  195.871   9.7133  480.512   47.511  466.580   67.895  493.880   66.507  192.152   14.251  197.835   13.544 -5.682495 19.66013 
1 1 1   15    6   13 o  416.119   14.196  2177.31  147.510  2144.55  209.018  2209.82  208.204  411.454   20.343  417.781   19.957 -6.327484 28.49742 
1 1 1   15    6   14 o  143.929   9.1517  260.508   32.722  286.578   47.742  237.410   44.937  150.498   12.826  136.801   13.323 13.69714 18.49356 
1 1 1   15    6   15 o   72.083   12.132   67.017   21.063   76.747   31.870   59.471   28.066   76.475   17.116   67.328   16.759 9.147194 23.95408 
1 1 1   15    6   16 o  108.993   9.8869  150.148   26.617  168.184   39.876  135.653   35.746  114.717   14.225  102.829   14.309 11.88785 20.17634 
1 1 1   15    6   17 o  226.290   10.033  642.202   56.696  642.367   81.709  642.049   78.734  225.305   14.601  225.358   14.061 -0.5261230E-01 20.27089 
1 1 1   15    6   18 o  141.038   9.4635  250.492   33.137  243.047   49.502  256.536   44.605  138.107   14.574  142.265   12.689 -4.157928 19.32351 
1 1 1   15    6   19 f   82.997   13.419   88.892   26.863   43.660   62.230   99.251   29.780   68.603   26.159   87.680   14.078 -19.07745 29.70653 
1 1 1   15    6   20 o  152.994   14.481  297.782   54.667  258.382   87.146  323.347   70.196  139.542   25.964  158.706   18.032 -19.16394 31.61165 
1 1 1   15    6   21 o  233.648   15.382  692.515   89.248  635.490  133.037  739.180  120.348  221.096   24.508  240.072   20.264 -18.97685 31.80051 
1 1 1   15    6   22 o  143.523   9.4519  259.467   33.686  269.878   50.823  251.310   44.988  145.614   14.156  140.693   12.950 4.920624 19.18564 
1 1 1   15    6   23 o  124.013   9.7678  194.160   30.005  193.434   45.945  194.699   39.620  122.804   15.315  123.661   13.026 -0.8578415 20.10540 
1 1 1   15    6   24 o  204.984   10.079  527.515   51.594  486.787   75.920  562.466   70.329  195.555   15.678  210.807   13.430 -15.25171 20.64393 
1 1 1   15    6   25 o  147.181   10.064  273.263   36.767  198.345   55.217  332.935   49.280  123.582   18.458  162.158   12.260 -38.57674 22.15890 
1 1 1   15    6   26 o  192.544   11.418  468.057   54.654  441.899   68.559  513.664   90.526  186.346   14.856  200.065   18.323 -13.71893 23.58930 
1 1 1   15    6   27 o  377.954   13.031  1802.84  122.986  1630.82  175.301  1969.57  172.587  356.500   19.769  393.332   17.571 -36.83252 26.44891 
1 1 1   15    6   28 o  102.658   11.262  134.299   28.397  148.466   40.154  120.125   40.165  107.106   15.461   95.665   17.456 11.44135 23.31855 
1 1 1   15    6   29 o  272.172   15.517  945.465  105.028  919.523  143.171  975.692  154.544  265.636   21.775  273.094   22.872 -7.457611 31.57962 
1 1 1   15    6   30 o  102.809   15.160  137.453   37.753  158.464   44.539   83.825   71.157  110.097   16.726   81.849   28.445 28.24856 32.99853 
1 1 1   15    6   31 o   83.835   13.187   91.426   26.695  101.207   34.081   75.898   42.942   87.520   16.190   75.132   21.683 12.38794 27.06097 
1 1 1   15    6   32 o  156.335   11.037  311.297   42.813  295.924   58.374  329.193   62.982  150.887   15.723  159.083   16.075 -8.196259 22.48586 
1 1 1   15    6   33 o  107.525   11.254  148.543   29.770  120.169   37.184  199.197   49.683   95.099   16.241  122.869   16.619 -27.76998 23.23709 
1 1 1   15    6   34 o   52.990   14.685   37.457   20.104   33.661   23.036   49.588   41.180   50.993   16.141   62.576   21.645 -11.58302 27.00108 
1 1 1   15    6   35 o  132.225   12.189  226.161   39.794  254.858   51.187  182.319   63.269  139.254   14.954  113.641   23.083 25.61310 27.50322 
1 1 1   15    6   36 o   81.103   23.597   94.327   50.673 -31.6190  116.329  123.821   56.294   66.652   30.613   92.437   24.129 -25.78514 38.97879 
1 1 1   15    6   37 o  111.678   13.432  164.186   36.709  173.728   45.157  145.594   63.032  113.550   16.401   99.091   25.365 14.45996 30.20565 
1 1 1   15    6   38 o  107.972   14.015  155.052   36.897  168.580   44.634  125.856   65.570  111.375   16.552   90.602   26.974 20.77283 31.64734 
1 1 1   15    6   39 o   62.447   16.584   54.462   26.297   54.714   29.974   53.622   54.797   62.363   18.150   64.625   24.570 -2.261238 30.54665 
1 1 1   15    7    0 o  528.157   24.169  3528.58  318.766  3630.50  453.988  3429.48  447.684  531.195   34.410  515.977   34.951 15.21796 49.04683 
1 1 1   15    7    1 o  398.753   28.285  2030.02  279.825  2030.02  279.825   0.0000   0.0000  398.753   28.285  ?   ?  0.000000 28.28514 
1 1 1   15    7    2 o  383.902   13.477  1847.54  129.199  1840.62  182.688  1854.47  182.743  381.926   19.216  383.856   19.064 -1.930206 27.06874 
1 1 1   15    7    3 o  234.036   9.8095  685.348   57.330  674.780   81.071  695.919   81.083  231.541   14.088  235.181   13.868 -3.639648 19.76840 
1 1 1   15    7    4 o  539.623   17.482  3660.69  235.570  3618.93  333.227  3702.41  333.067  534.654   24.958  540.874   24.660 -6.219604 35.08578 
1 1 1   15    7    5 o  373.165   12.926  1745.33  120.455  1788.14  170.664  1702.84  170.036  377.021   18.127  367.389   18.594 9.632385 25.96802 
1 1 1   15    7    6 o  632.982   19.895  5049.20  314.470  5028.05  444.861  5070.33  444.593  628.683   28.336  631.377   28.198 -2.694031 39.97612 
1 1 1   15    7    7 o  385.096   13.414  1859.77  128.995  1878.75  182.798  1840.94  182.056  386.217   18.954  382.290   19.070 3.926758 26.88716 
1 1 1   15    7    8 o  113.739   9.9060  163.149   27.855  134.458   39.872  190.501   38.930  102.210   16.159  122.590   12.911 -20.38031 20.68330 
1 1 1   15    7    9 o  194.751   9.6821  474.756   47.087  474.710   67.105  474.800   66.088  193.988   13.946  194.038   13.728 -0.4904175E-01 19.56860 
1 1 1   15    7   10 o  340.674   12.208  1455.23  103.856  1444.95  147.191  1465.42  146.561  338.280   17.484  340.718   17.282 -2.437897 24.58374 
1 1 1   15    7   11 o  468.656   15.390  2762.04  180.111  2827.81  255.222  2696.78  254.211  472.568   21.627  461.358   22.065 11.20969 30.89676 
1 1 1   15    7   12 o  548.819   17.374  3797.53  238.110  3865.15  337.340  3730.39  336.139  551.048   24.515  541.205   24.872 9.842957 34.92243 
1 1 1   15    7   13 o  602.971   19.063  4596.71  287.039  4650.02  406.368  4543.61  405.504  602.701   27.000  595.621   27.263 7.079407 38.37036 
1 1 1   15    7   14 o  481.392   15.623  2919.62  187.805  2953.27  266.181  2886.25  265.016  481.998   22.115  476.436   22.275 5.561920 31.38845 
1 1 1   15    7   15 o  255.855   10.541  820.927   67.346  796.873   96.205  844.042   94.307  250.996   15.424  258.500   14.670 -7.503906 21.28597 
1 1 1   15    7   16 f  395.665   13.599  1969.71  134.366  1984.75  190.801  1954.91  189.253  395.642   19.312  392.659   19.301 2.982361 27.30340 
1 1 1   15    7   17 o  320.367   11.676  1289.09   93.413  1314.87  133.449  1264.32  130.802  322.164   16.645  315.895   16.640 6.268829 23.53588 
1 1 1   15    7   18 o  321.573   11.917  1299.42   95.693  1276.04  136.546  1321.98  134.147  317.098   17.309  322.954   16.691 -5.855530 24.04562 
1 1 1   15    7   19 o   73.627   11.589   69.732   20.603   87.695   32.338   57.458   26.730   81.885   16.386   66.135   16.292 15.74968 23.10704 
1 1 1   15    7   20 o  165.990   9.5663  346.661   39.485  318.487   58.369  370.431   53.614  158.185   14.954  171.135   12.635 -12.94983 19.57683 
1 1 1   15    7   21 o  355.635   12.717  1591.71  112.942  1609.34  161.310  1574.75  158.183  355.685   18.222  351.890   18.062 3.794891 25.65729 
1 1 1   15    7   22 o  197.934   11.468  494.011   56.438  495.686  109.812  493.410   65.793  195.460   22.934  197.456   13.423 -1.995590 26.57308 
1 1 1   15    7   23 o  135.119   15.195  233.455   50.382  197.288   84.581  253.346   62.725  120.913   28.481  140.104   18.371 -19.19138 33.89225 
1 1 1   15    7   24 o  104.045   12.936  138.402   32.885  159.714   43.603  110.290   50.079  111.222   16.173   91.036   22.223 20.18539 27.48495 
1 1 1   15    7   25 o  235.057   14.499  700.395   84.690   0.0000   0.0000  700.395   84.690  ?   ?   235.057   14.499 0.000000 14.49874 
1 1 1   15    7   26 o  148.921   11.427  280.585   42.171  265.232   53.230  306.465   69.108  144.067   15.017  154.171   18.308 -10.10388 23.67896 
1 1 1   15    7   27 o  356.386   13.183  1602.69  117.328  1550.08  167.564  1653.30  164.336  347.877   19.365  359.762   18.353 -11.88452 26.68080 
1 1 1   15    7   28 o  198.614   10.146  497.181   50.151  502.448   73.118  492.502   68.917  198.618   14.849  196.818   14.116 1.799316 20.48809 
1 1 1   15    7   29 o   65.713   14.073   56.745   22.398   50.682   29.597   64.871   34.263   62.265   18.011   69.988   19.080 -7.723072 26.23824 
1 1 1   15    7   30 o  116.552   11.368  173.070   32.666  172.925   45.242  173.228   47.214  115.356   16.148  115.250   16.908 0.1065445 23.37999 
1 1 1   15    7   31 o  106.907   15.653  149.034   40.549  181.489   47.013   54.746   80.132  117.951   16.405   75.381   29.433 42.56998 33.69616 
1 1 1   15    7   32 o  202.935   14.345  528.971   72.226  494.697   89.963  591.124  121.148  194.300   18.775  209.863   23.522 -15.56256 30.09603 
1 1 1   15    7   33 o   81.400   13.821   87.047   27.089  107.173   33.716   50.399   45.498   90.009   15.563   64.330   22.718 25.67911 27.53810 
1 1 1   15    7   34 o   41.004   13.924   20.240   17.020   9.4870   18.899   66.417   39.163   35.836   14.201   69.872   20.856 -34.03571 25.23184 
1 1 1   15    7   35 o   67.189   14.812   60.685   24.182   61.065   28.530   59.716   45.573   66.962   17.024   67.312   22.785 -0.3501511 28.44225 
1 1 1   15    7   36 o  201.999   11.996  525.630   60.241  549.286   80.482  495.492   90.842  204.172   15.911  191.566   19.250 12.60504 24.97451 
1 1 1   15    7   37 o  124.449   12.745  202.032   39.048  234.116   49.020  146.326   64.592  132.996   15.023   99.485   25.787 33.51164 29.84408 
1 1 1   15    7   38 o   85.737   23.549  107.707   51.965  235.286  132.487   84.512   56.491  114.345   38.848   76.475   25.362 37.86961 46.39347 
1 1 1   15    7   39 o  125.416   13.062  207.419   40.309  191.136   49.694  238.745   68.926  118.007   17.384  128.695   22.252 -10.68723 28.23774 
1 1 1   15    7   40 o   56.445   17.180   44.204   26.383   53.951   29.901   9.9355   56.065   61.784   18.170   52.832   22.925 8.952385 29.25227 
1 1 1   15    8    0 o  284.265   16.013  1018.22  113.206  978.573  163.753  1054.51  156.676  277.104   23.898  288.173   21.937 -11.06808 32.43976 
1 1 1   15    8    1 o  300.205   16.377  1135.58  122.311  1104.94  175.858  1164.29  170.227  294.554   24.120  302.744   22.682 -8.190002 33.10905 
1 1 1   15    8    2 o  594.795   18.962  4453.83  281.651  4371.71  398.100  4536.14  398.530  586.756   27.170  597.862   26.694 -11.10602 38.08862 
1 1 1   15    8    3 o  243.094   10.576  739.749   64.201  701.942   90.644  777.809   90.946  235.958   15.469  248.542   14.719 -12.58310 21.35260 
1 1 1   15    8    4 o  803.164   24.682  8167.96  495.032  8159.38  700.102  8176.53  700.061  797.048   35.174  797.910   35.134 -0.8625488 49.71574 
1 1 1   15    8    5 o  643.002   20.295  5212.29  325.876  5195.78  460.966  5228.78  460.751  638.845   28.895  640.916   28.788 -2.070801 40.78826 
1 1 1   15    8    6 o  601.228   19.079  4552.91  286.443  4559.90  405.203  4545.93  404.980  599.053   27.087  598.124   27.114 0.9288330 38.32565 
1 1 1   15    8    7 o  359.313   13.053  1618.83  117.117  1566.14  165.752  1671.37  165.505  352.106   18.920  364.374   18.189 -12.26749 26.24557 
1 1 1   15    8    8 o  182.337   8.7842  415.943   39.997  446.252   57.329  387.199   55.829  188.291   12.259  175.262   12.846 13.02985 17.75684 
1 1 1   15    8    9 o  366.176   12.440  1681.18  113.749  1755.29  161.360  1607.96  160.375  373.434   17.303  356.848   18.056 16.58597 25.00845 
1 1 1   15    8   10 o  342.699   12.514  1472.93  107.093  1432.73  151.733  1512.84  151.174  336.697   18.113  346.134   17.547 -9.437134 25.21859 
1 1 1   15    8   11 o  334.422   12.088  1402.58  100.946  1382.43  143.157  1422.51  142.363  330.788   17.392  335.639   17.041 -4.850983 24.34901 
1 1 1   15    8   12 f  400.846   13.993  2018.90  140.069  1960.07  198.276  2077.50  197.899  393.109   20.267  405.413   19.548 -12.30408 28.15780 
1 1 1   15    8   13 o  268.586   10.546  904.167   70.734  893.197  100.679  914.859   99.400  265.978   15.221  269.266   14.840 -3.288269 21.25820 
1 1 1   15    8   14 o  322.237   11.356  1302.64   91.384  1371.27  130.142  1235.89  128.350  329.890   15.798  312.633   16.499 17.25720 22.84247 
1 1 1   15    8   15 o  329.192   12.008  1360.68   98.715  1339.74  140.214  1381.27  139.002  325.221   17.327  330.349   16.907 -5.127869 24.20879 
1 1 1   15    8   16 o  324.278   11.845  1320.56   95.917  1337.79  136.609  1303.80  134.706  325.001   16.891  320.840   16.872 4.161133 23.87401 
1 1 1   15    8   17 o  215.771   10.020  583.826   53.991  578.301   77.629  589.002   75.143  213.742   14.632  215.839   14.017 -2.097244 20.26275 
1 1 1   15    8   18 o  217.352   10.025  592.502   54.412  583.615   78.339  600.785   75.631  214.677   14.702  217.973   13.968 -3.296387 20.27929 
1 1 1   15    8   19 o  145.109   9.4275  265.088   33.977  248.235   50.359  279.169   46.032  139.565   14.669  148.475   12.533 -8.910019 19.29366 
1 1 1   15    8   20 o  171.725   9.5086  370.900   40.617  363.816   59.987  376.897   55.194  169.290   14.324  172.591   12.899 -3.300507 19.27640 
1 1 1   15    8   21 o  161.258   9.4214  327.185   37.774  311.690   56.034  340.092   51.141  156.551   14.498  163.937   12.588 -7.386475 19.20036 
1 1 1   15    8   22 o  292.227   11.217  1072.92   81.853  1059.73  117.811  1085.23  113.808  288.963   16.394  292.643   15.630 -3.680145 22.65075 
1 1 1   15    8   23 f   97.572   10.402  120.855   24.955  115.423   39.297  124.527   32.306   93.997   17.382   98.525   13.485 -4.527779 21.99896 
1 1 1   15    8   24 o  169.894   9.7592  363.361   41.230  273.531   62.104  434.157   55.134  145.883   17.390  185.403   11.972 -39.51987 21.11302 
1 1 1   15    8   25 o  155.320   15.203  307.764   58.212  302.423   96.097  310.860   73.163  150.831   26.479  155.116   19.306 -4.285049 32.76986 
1 1 1   15    8   26 o  203.648   15.255  527.412   77.014  526.780  122.052  527.831   99.272  200.563   24.905  202.458   19.892 -1.894562 31.87445 
1 1 1   15    8   27 o  216.584   10.134  589.266   54.808  676.277   80.656  514.616   74.707  230.969   14.051  201.148   14.980 29.82150 20.53851 
1 1 1   15    8   28 o  139.478   10.095  245.738   34.922  255.068   51.294  237.677   47.678  141.210   14.764  136.382   14.208 4.827957 20.49055 
1 1 1   15    8   29 o  141.286   10.215  252.365   35.797  232.303   51.432  271.215   49.854  134.386   15.617  145.760   13.863 -11.37415 20.88282 
1 1 1   15    8   30 o  175.615   9.8294  389.273   42.933  369.349   61.339  408.409   60.113  169.938   14.596  179.043   13.545 -9.105713 19.91271 
1 1 1   15    8   31 o  248.624   11.276  781.020   70.006  780.677   99.987  781.350   98.050  246.477   16.337  246.727   16.000 -0.2490997 22.86749 
1 1 1   15    8   32 o  164.540   10.376  343.319   42.414  329.187   57.862  359.729   62.353  159.882   14.656  167.033   15.112 -7.150986 21.05167 
1 1 1   15    8   33 o  243.830   12.940  760.161   78.507  696.499   93.212  915.557  145.630  231.824   16.203  261.690   22.504 -29.86574 27.73034 
1 1 1   15    8   34 o  144.696   14.125  271.455   50.386  235.467   55.851  428.809  116.786  133.499   17.150  174.183   27.783 -40.68398 32.64982 
1 1 1   15    8   35 o  104.208   12.313  140.828   31.421  149.460   39.508  125.971   51.833  106.364   15.316   94.847   22.266 11.51710 27.02494 
1 1 1   15    8   36 o  180.659   11.607  419.439   52.089  409.703   69.176  432.187   79.159  176.391   15.875  180.001   17.846 -3.610031 23.88449 
1 1 1   15    8   37 o   88.615   13.900  104.080   29.746  117.007   36.080   76.646   52.560   93.227   16.079   74.146   24.457 19.08129 29.26942 
1 1 1   15    8   38 o   53.312   15.351   38.364   21.545   36.675   24.395   44.351   45.936   52.591   16.607   60.756   22.624 -8.165298 28.06487 
1 1 1   15    8   39 f  147.212   12.552  283.300   45.701  286.307   57.615  278.197   75.051  145.961   16.073  139.548   22.287 6.412720 27.47803 
1 1 1   15    8   40 o   91.267   24.784  126.954   57.944  159.586  152.723  121.467   62.626   94.552   39.277   88.415   26.370 6.136925 47.30800 
1 1 1   15    9    0 o  289.146   16.231  1054.06  116.722  1054.06  116.722   0.0000   0.0000  289.146   16.231  ?   ?  0.000000 16.23100 
1 1 1   15    9    1 o  452.801   21.249  2588.48  240.273  2681.20  342.401  2498.51  337.253  457.375   30.148  441.202   30.804 16.17322 43.10157 
1 1 1   15    9    2 o  409.120   14.008  2099.85  143.117  2218.39  202.684  1981.98  202.113  419.607   19.343  395.884   20.515 23.72299 28.19605 
1 1 1   15    9    3 o  873.438   27.032  9693.65  589.601  9658.57  833.795  9728.74  833.849  864.068   38.642  867.312   38.500 -3.243774 54.54780 
1 1 1   15    9    4 o  466.725   14.786  2734.25  172.326  2751.75  243.861  2716.80  243.551  466.986   20.912  463.986   21.020 3.000244 29.65035 
1 1 1   15    9    5 o  358.576   12.267  1611.31  109.845  1649.29  155.365  1573.37  155.324  362.137   17.180  353.643   17.588 8.493988 24.58676 
1 1 1   15    9    6 o  634.427   19.683  5074.19  311.841  5109.94  441.094  5038.47  440.927  633.610   27.878  629.081   28.068 4.528870 39.55980 
1 1 1   15    9    7 o  369.046   13.100  1708.00  120.726  1674.13  170.862  1741.76  170.602  364.041   18.860  371.890   18.370 -7.849152 26.32802 
1 1 1   15    9    8 o  187.859   8.9911  441.587   42.179  467.193   60.292  417.043   59.029  192.624   12.604  181.883   13.084 10.74084 18.16696 
1 1 1   15    9    9 o  109.733   9.8860  151.968   26.799  147.148   38.559  156.473   37.274  107.244   14.791  110.819   13.766 -3.574791 20.20592 
1 1 1   15    9   10 o  354.608   12.892  1577.65  114.164  1573.01  161.736  1582.25  161.169  352.737   18.425  353.803   18.305 -1.065918 25.97206 
1 1 1   15    9   11 o  493.376   15.972  3063.11  196.777  3079.56  278.616  3046.74  277.956  492.771   22.642  490.114   22.711 2.656494 32.06897 
1 1 1   15    9   12 o  129.413   9.8301  210.969   31.530  188.654   45.168  232.179   44.035  121.536   15.216  135.349   13.196 -13.81347 20.14119 
1 1 1   15    9   13 o  475.242   15.709  2844.09  186.426  2846.76  264.016  2841.45  263.276  473.422   22.332  472.996   22.290 0.4267578 31.55247 
1 1 1   15    9   14 o  134.499   9.4661  227.726   31.591  214.338   45.673  240.007   43.743  129.759   14.334  137.634   12.877 -7.874985 19.26875 
1 1 1   15    9   15 o  296.238   11.251  1101.13   83.230  1083.28  118.339  1118.60  117.080  292.609   16.259  297.459   15.819 -4.850220 22.68478 
1 1 1   15    9   16 o  293.760   11.101  1082.92   81.436  1154.38  116.159  1013.85  114.202  302.203   15.444  282.979   16.229 19.22443 22.40282 
1 1 1   15    9   17 o  481.939   16.028  2932.01  192.892  2890.80  273.364  2972.88  272.220  475.797   23.007  482.701   22.584 -6.903259 32.23909 
1 1 1   15    9   18 o  148.453   9.1305  277.220   33.684  298.374   49.720  259.276   45.794  153.455   13.100  142.995   12.965 10.45999 18.43147 
1 1 1   15    9   19 o  169.431   9.5627  361.067   40.295  334.625   58.849  384.406   55.288  162.264   14.682  174.352   12.788 -12.08871 19.47043 
1 1 1   15    9   20 o  186.626   9.7370  437.993   45.221  441.876   66.236  434.603   61.890  186.690   14.317  185.301   13.467 1.389694 19.65528 
1 1 1   15    9   21 o  193.903   9.8086  472.825   47.340  467.185   69.239  477.776   64.872  191.920   14.555  194.314   13.452 -2.394699 19.81959 
1 1 1   15    9   22 o  147.013   9.4452  272.147   34.492  295.405   52.024  253.906   46.074  152.492   13.812  141.396   13.201 11.09612 19.10593 
1 1 1   15    9   23 o  339.628   12.379  1451.31  104.987  1403.34  150.336  1496.98  146.679  332.024   18.201  343.742   17.088 -11.71851 24.96554 
1 1 1   15    9   24 o  244.705   14.479  758.291   88.085   0.0000   0.0000  758.291   88.085  ?   ?   244.705   14.479 0.000000 14.47922 
1 1 1   15    9   25 o   99.990   16.914  130.066   40.726  130.066   40.726   0.0000   0.0000   99.990   16.914  ?   ?  0.000000 16.91375 
1 1 1   15    9   26 o   86.185   11.401   95.001   23.935  106.779   37.357   86.799   31.174   90.304   17.194   81.457   15.896 8.847809 23.41599 
1 1 1   15    9   27 o  181.963   11.878  418.527   53.679  394.156  111.623  425.859   61.223  172.342   26.808  183.240   13.474 -10.89746 30.00351 
1 1 1   15    9   28 o  128.658   16.092  213.096   50.570  282.687   96.246  186.557   59.435  144.962   27.595  119.063   20.744 25.89945 34.52293 
1 1 1   15    9   29 o  122.380   12.063  190.627   36.387  191.012   46.382  190.009   58.676  121.732   15.618  120.176   20.274 1.556725 25.59185 
1 1 1   15    9   30 o   74.046   12.892   71.266   22.972   92.054   30.862   45.436   34.402   83.868   15.299   60.417   19.780 23.45117 25.00629 
1 1 1   15    9   31 o   97.835   11.403  122.468   27.336  123.816   36.796  120.807   40.836   97.381   15.662   95.615   17.757 1.765869 23.67711 
1 1 1   15    9   32 o   80.033   12.520   83.115   24.202   84.152   30.758   81.427   39.217   79.714   16.007   77.713   20.068 2.001167 25.67057 
1 1 1   15    9   33 o  171.290   10.533  372.568   44.835  359.202   61.709  387.513   65.251  166.762   14.978  173.154   15.246 -6.392105 21.37258 
1 1 1   15    9   34 o  164.648   11.087  345.776   45.321  391.549   62.016  293.309   66.396  174.034   14.399  148.890   18.239 25.14369 23.23780 
1 1 1   15    9   35 o  133.984   11.355  230.307   37.633  240.953   48.820  214.717   59.079  135.905   14.615  126.202   19.365 9.703163 24.26073 
1 1 1   15    9   36 o   93.055   16.255  116.067   36.398  117.360   37.829   99.942  133.609   93.363   16.845   90.997   37.156 2.366287 40.79597 
1 1 1   15    9   37 o   95.757   13.562  120.702   31.522  125.916   38.906  110.739   53.781   96.622   16.730   87.779   23.894 8.843475 29.16916 
1 1 1   15    9   38 o   98.724   12.732  127.808   30.656  117.018   36.997  151.444   54.759   92.919   16.551  103.324   21.903 -10.40466 27.45312 
1 1 1   15    9   39 o   76.095   15.006   78.522   27.502   85.602   32.353   60.079   52.218   78.789   16.947   67.304   24.276 11.48492 29.60619 
1 1 1   15    9   40 o   48.918   16.039   31.361   22.618   29.334   25.552   38.697   48.611   48.527   17.036   58.814   22.935 -10.28689 28.56988 
1 1 1   15   10    0 o  350.845   12.685  1543.63  111.135  1494.71  156.954  1592.82  157.383  343.951   18.340  355.656   17.721 -11.70557 25.50234 
1 1 1   15   10    1 o  440.138   21.453  2448.25  235.791  1932.38  334.342  2958.71  332.583  385.731   35.094  481.138   27.799 -95.40729 44.77039 
1 1 1   15   10    2 o  411.653   19.960  2137.77  205.187  2130.46  292.674  2144.83  287.745  407.697   28.935  409.297   28.327 -1.599670 40.49260 
1 1 1   15   10    3 o  681.885   21.542  5874.94  366.813  5903.00  518.853  5846.89  518.652  679.451   30.580  676.141   30.718 3.309021 43.34398 
1 1 1   15   10    4 o  328.118   11.748  1349.02   96.259  1332.15  136.042  1365.93  136.219  325.032   16.818  329.174   16.625 -4.142151 23.64872 
1 1 1   15   10    5 o  589.549   18.479  4378.00  272.056  4411.47  384.782  4344.54  384.708  589.221   26.151  584.656   26.350 4.564880 37.12401 
1 1 1   15   10    6 o  638.975   20.068  5151.62  320.211  5139.91  452.892  5163.33  452.803  634.858   28.567  636.336   28.495 -1.477722 40.34925 
1 1 1   15   10    7 o  309.625   12.044  1201.64   93.127  1133.49  131.590  1270.02  131.812  299.542   17.670  317.319   16.693 -17.77750 24.30840 
1 1 1   15   10    8 o  372.462   13.020  1740.24  121.096  1739.21  171.350  1741.26  171.161  371.478   18.471  371.703   18.440 -0.2241821 26.10019 
1 1 1   15   10    9 o  226.388   9.8660  641.703   55.776  628.403   79.154  654.820   78.606  223.244   14.273  227.966   13.874 -4.722015 19.90514 
1 1 1   15   10   10 o  208.201   9.6231  542.736   50.032  548.221   71.293  537.414   70.231  208.502   13.770  206.439   13.701 2.063217 19.42535 
1 1 1   15   10   11 o  376.153   13.307  1776.49  124.997  1737.03  177.013  1815.74  176.533  370.364   19.205  379.277   18.639 -8.913177 26.76276 
1 1 1   15   10   12 o  242.676   10.511  738.015   63.697  747.308   90.594  728.929   89.578  243.291   14.985  240.265   15.005 3.025162 21.20581 
1 1 1   15   10   13 o  255.395   10.610  817.633   67.666  786.188   96.173  848.459   95.223  249.408   15.519  259.276   14.768 -9.867966 21.42261 
1 1 1   15   10   14 o  412.689   13.524  2140.95  139.375  2251.61  197.773  2031.77  196.445  421.904   18.772  400.534   19.640 21.36969 27.16840 
1 1 1   15   10   15 o  225.004   9.6385  634.424   54.156  657.482   77.520  612.442   75.690  228.239   13.664  220.224   13.834 8.014572 19.44409 
1 1 1   15   10   16 o  310.356   11.611  1209.33   89.985  1228.78  128.020  1190.33  126.510  311.541   16.514  306.596   16.585 4.944977 23.40519 
1 1 1   15   10   17 o  414.700   14.143  2165.74  146.459  2127.57  207.681  2203.50  206.571  409.176   20.325  416.579   19.857 -7.403046 28.41533 
1 1 1   15   10   18 f  258.007   10.443  835.189   67.286  876.703   96.527  795.951   93.844  263.313   14.739  250.786   15.055 12.52711 21.06850 
1 1 1   15   10   19 o  181.674   9.5641  414.964   43.237  412.115   62.913  417.514   59.521  180.326   14.083  181.669   13.211 -1.343628 19.30921 
1 1 1   15   10   20 f  313.829   11.951  1237.98   93.660  1215.76  133.739  1259.37  131.207  309.385   17.381  315.095   16.735 -5.709869 24.12791 
1 1 1   15   10   21 o  172.769   9.5868  375.482   41.198  342.577   60.512  403.914   56.249  164.107   14.929  178.729   12.685 -14.62154 19.59066 
1 1 1   15   10   22 o  192.640   9.6318  465.467   46.335  444.618   68.096  483.442   63.228  187.157   14.688  195.535   13.024 -8.377960 19.63049 
1 1 1   15   10   23 o  234.901   10.150  692.502   59.539  736.752   87.277  653.984   81.428  241.212   14.558  227.239   14.424 13.97331 20.49367 
1 1 1   15   10   24 o  109.873   10.015  152.740   27.176  113.070   42.330  180.553   35.444   92.699   18.926  119.211   12.073 -26.51203 22.44909 
1 1 1   15   10   25 o  123.306   9.6742  191.933   29.550  192.025   45.973  191.869   38.573  122.326   15.391  122.792   12.766 -0.4652863 19.99611 
1 1 1   15   10   26 o  159.472   9.7224  320.340   38.533  283.891   58.200  348.785   51.415  148.953   15.892  165.970   12.497 -17.01677 20.21719 
1 1 1   15   10   27 o  203.997   9.7137  522.394   49.483  536.149   73.759  511.137   66.728  205.507   14.465  200.874   13.379 4.632935 19.70367 
1 1 1   15   10   28 o  166.208   9.8711  348.163   40.786  437.235   61.161  276.828   54.734  185.682   13.278  147.143   15.110 38.53859 20.11520 
1 1 1   15   10   29 o  244.587   10.493  752.378   64.089  735.872   93.229  767.168   88.246  240.355   15.617  245.780   14.441 -5.425797 21.27108 
1 1 1   15   10   30 o  131.261   16.297  222.487   52.270  275.785  102.008  203.511   60.868  141.749   29.765  124.324   20.307 17.42516 36.03266 
1 1 1   15   10   31 o  116.370   17.875  177.331   50.283  107.435   99.129  201.545   58.346   93.206   33.467  123.701   19.537 -30.49586 38.75234 
1 1 1   15   10   32 o  172.899   9.9863  378.135   42.934  384.434   60.231  371.629   61.216  173.261   14.042  170.178   14.545 3.083405 20.21665 
1 1 1   15   10   33 o  169.103   10.795  363.203   45.349  345.003   63.017  382.752   65.311  163.274   15.647  172.154   15.353 -8.880493 21.92169 
1 1 1   15   10   34 o  288.740   12.464  1062.45   89.873  1059.30  127.000  1065.61  127.199  284.746   17.952  285.614   17.925 -0.8682556 25.36924 
1 1 1   15   10   35 o   56.816   14.106   43.121   19.921   33.912   23.299   68.155   38.414   51.292   16.233   70.723   20.536 -19.43129 26.17721 
1 1 1   15   10   36 f   58.185   14.258   45.426   20.554   44.247   24.193   48.483   38.968   57.407   16.181   61.606   21.068 -4.199360 26.56420 
1 1 1   15   10   37 o   82.991   13.538   91.032   27.089  103.680   32.982   64.814   47.486   87.977   15.583   69.397   23.259 18.57963 27.99660 
1 1 1   15   10   38 o  115.792   16.793  180.171   47.140  185.545   48.462   85.709  203.186  117.423   17.024   94.775   42.274 22.64788 45.57271 
1 1 1   15   10   39 o   88.011   14.368  103.544   30.489  114.624   37.342   81.387   52.807   91.616   16.946   75.432   24.497 16.18420 29.78726 
1 1 1   15   10   40 o   68.952   15.509   65.271   26.057   48.415   30.470  111.140   50.265   59.380   18.531   87.016   22.842 -27.63545 29.41357 
1 1 1   15   10   41 o   51.800   16.310   36.273   23.544   30.512   26.644   56.800   50.297   49.286   17.387   64.916   23.762 -15.62910 29.44423 
1 1 1   15   11    0 o  557.819   20.958  3935.67  291.939  3934.54  356.810  3937.98  507.766  555.943   25.701  549.328   37.235 6.615540 45.24405 
1 1 1   15   11    1 o  416.974   15.678  2186.23  163.252  2000.22  197.930  2582.02  288.724  397.483   20.005  449.761   25.815 -52.27817 32.65896 
1 1 1   15   11    2 o  655.384   29.573  5494.80  483.996  4692.40  684.439  6297.35  684.507  593.755   46.534  694.029   39.660 -100.2742 61.14172 
1 1 1   15   11    3 o  546.647   17.469  3762.61  238.466  3732.71  337.138  3792.55  337.346  542.132   24.903  546.528   24.718 -4.396118 35.08756 
1 1 1   15   11    4 o  236.336   10.452  699.494   61.687  702.582   87.207  696.401   87.268  236.036   14.871  234.979   14.950 1.057449 21.08693 
1 1 1   15   11    5 o  133.461   9.5602  224.093   31.651  217.868   44.807  230.292   44.715  131.021   13.907  134.812   13.462 -3.790878 19.35587 
1 1 1   15   11    6 o  633.031   20.115  5059.75  317.979  4993.81  449.624  5125.73  449.757  625.254   28.797  633.642   28.424 -8.388489 40.46185 
1 1 1   15   11    7 o  551.659   17.746  3833.65  244.467  3815.76  345.677  3851.55  345.778  547.893   25.265  550.500   25.153 -2.606812 35.65120 
1 1 1   15   11    8 o  345.848   11.904  1499.58  102.808  1551.99  145.543  1447.39  145.243  351.162   16.597  338.591   17.235 12.57092 23.92700 
1 1 1   15   11    9 o  278.072   11.330  969.178   78.672  936.252  111.318  1002.04  111.201  272.246   16.451  281.792   15.867 -9.545685 22.85635 
1 1 1   15   11   10 o  446.778   15.185  2510.22  169.421  2448.77  239.633  2571.64  239.564  439.608   21.829  450.663   21.287 -11.05505 30.49004 
1 1 1   15   11   11 o  218.902   9.9972  600.247   54.649  617.549   77.768  583.370   76.810  221.232   14.151  214.957   14.392 6.274826 20.18395 
1 1 1   15   11   12 o  411.601   14.069  2129.61  144.603  2202.27  204.939  2057.57  204.063  417.228   19.670  402.608   20.363 14.61969 28.31178 
1 1 1   15   11   13 o  312.280   11.772  1223.68   91.801  1251.31  130.340  1196.47  129.318  314.581   16.651  307.531   16.904 7.050385 23.72771 
1 1 1   15   11   14 o  289.786   10.647  1053.02   77.044  1106.32  109.783  1001.29  108.147  296.060   14.897  281.505   15.443 14.55530 21.45724 
1 1 1   15   11   15 o  371.353   18.832  1750.42  174.064  1846.44  244.814  1652.24  247.536  378.653   26.049  357.263   27.969 21.39069 38.22092 
1 1 1   15   11   16 o  413.126   20.119  2166.92  207.555  2199.10  292.276  2134.18  294.795  411.832   28.597  405.297   29.325 6.535034 40.96045 
1 1 1   15   11   17 o  468.522   22.195  2799.27  259.682  2789.28  365.873  2809.42  368.634  461.605   31.936  463.189   32.068 -1.584015 45.25780 
1 1 1   15   11   18 o  205.012   13.768  531.547   70.077  521.075   96.480  543.241  101.955  201.717   19.392  205.813   20.094 -4.095993 27.92520 
1 1 1   15   11   19 o  329.799   17.319  1380.40  142.131  1446.28  199.986  1313.16  202.035  335.120   24.057  318.600   25.610 16.52023 35.13759 
1 1 1   15   11   20 o  117.337   13.473  175.591   38.763  167.613   52.342  185.280   57.684  113.405   19.166  119.144   20.104 -5.739052 27.77558 
1 1 1   15   11   21 o  192.135   13.494  467.197   64.334  503.834   89.970  428.865   92.027  198.466   18.362  182.399   20.563 16.06715 27.56792 
1 1 1   15   11   22 o  343.023   12.546  1480.52  107.472  1419.51  153.591  1539.05  150.434  333.896   18.493  348.538   17.284 -14.64212 25.31247 
1 1 1   15   11   23 o  254.319   14.783  819.045   93.481   0.0000   0.0000  819.045   93.481  ?   ?   254.319   14.783 0.000000 14.78327 
1 1 1   15   11   24 o  208.299   11.299  546.846   58.554  566.125   73.636  513.690   96.566  211.425   14.027  199.986   19.588 11.43869 24.09207 
1 1 1   15   11   25 o  335.925   12.265  1420.09  102.888  1447.02  147.959  1394.86  143.170  337.255   17.630  331.196   17.371 6.059753 24.75011 
1 1 1   15   11   26 o   89.306   10.566  101.558   23.107  147.550   37.328   72.984   29.422  107.201   14.301   74.514   16.268 32.68674 21.66021 
1 1 1   15   11   27 o  133.178   9.7326  223.809   32.144  206.969   49.669  235.944   42.164  126.870   16.035  136.303   12.528 -9.433510 20.34890 
1 1 1   15   11   28 o  416.609   13.965  2192.31  145.286  2122.71  207.743  2258.94  203.261  406.764   20.518  420.673   19.349 -13.90887 28.20238 
1 1 1   15   11   29 o  252.925   10.602  804.538   66.961  816.000   97.756  794.406   91.908  253.223   15.534  250.060   14.784 3.162933 21.44491 
1 1 1   15   11   30 o   84.637   11.713   91.983   24.093  102.429   34.442   81.973   33.715   88.430   16.194   78.664   17.603 9.765915 23.91866 
1 1 1   15   11   31 o  228.951   9.8646  659.708   56.399  669.933   81.980  650.519   77.712  229.270   14.392  226.087   13.831 3.183517 19.96051 
1 1 1   15   11   32 o   70.395   13.215   64.854   22.377   56.285   29.408   76.641   34.488   65.099   17.647   75.681   18.422 -10.58163 25.51083 
1 1 1   15   11   33 o  102.279   18.513  139.221   45.543  195.562  101.838  125.136   50.919  116.350   33.338   95.905   21.760 20.44530 39.81114 
1 1 1   15   11   34 o  291.754   12.697  1084.58   92.508  1124.53  130.609  1044.36  131.043  293.713   17.893  282.478   18.683 11.23489 25.86873 
1 1 1   15   11   35 o  105.715   12.221  144.354   31.668  170.610   41.215  106.512   49.480  114.216   14.798   87.540   22.509 26.67668 26.93763 
1 1 1   15   11   36 o   81.654   12.575   87.250   24.819   69.802   30.246  123.215   43.425   71.685   17.130   95.097   18.951 -23.41119 25.54579 
1 1 1   15   11   37 o  116.144   12.263  174.833   35.028  195.339   44.735  142.335   56.316  121.772   15.030  100.292   22.979 21.47960 27.45793 
1 1 1   15   11   38 o   44.783   14.520   25.548   18.556   27.999   21.021   16.902   39.488   46.971   15.466   49.510   20.206 -2.538651 25.44539 
1 1 1   15   11   39 o   96.159   12.973  121.645   30.356  108.568   37.120  148.052   52.747   89.056   17.315  102.342   21.331 -13.28570 27.47388 
1 1 1   15   11   40 o   81.371   18.335   92.557   36.363   92.557   36.363   0.0000   0.0000   81.371   18.335  ?   ?  0.000000 18.33474 
1 1 1   15   11   41 o   41.316   15.630   17.815   22.107   10.730   24.929   43.891   47.828   39.551   16.088   60.241   22.942 -20.69030 28.02083 
1 1 1   15   12    0 o  374.932   15.732  1769.39  147.298  1904.11  179.664  1493.18  257.256  388.341   18.527  339.378   30.687 48.96335 35.84588 
1 1 1   15   12    1 o  482.928   18.619  2943.83  224.539  2956.23  274.168  2918.59  391.308  482.658   22.747  474.225   33.254 8.432098 40.28941 
1 1 1   15   12    2 f  737.425   49.205  7319.32  900.909  7319.32  900.909   0.0000   0.0000  737.425   49.205  ?   ?  0.000000 49.20542 
1 1 1   15   12    3 o  314.357   24.395  1263.09  190.000  1263.09  190.000   0.0000   0.0000  314.357   24.395  ?   ?  0.000000 24.39471 
1 1 1   15   12    4 o   95.114   9.9388  114.512   23.258  134.743   33.458   95.596   32.353  102.762   13.354   85.874   15.664 16.88760 20.58349 
1 1 1   15   12    5 o  473.498   15.844  2820.23  187.345  2827.35  264.939  2813.11  264.954  472.333   22.462  471.124   22.521 1.209717 31.80761 
1 1 1   15   12    6 o  523.700   17.011  3453.99  222.470  3448.01  314.613  3459.97  314.628  520.974   24.183  521.891   24.142 -0.9179077 34.17065 
1 1 1   15   12    7 o  118.718   8.7099  177.323   25.641  167.312   36.596  186.978   35.938  114.742   13.002  121.525   11.999 -6.783005 17.69228 
1 1 1   15   12    8 o  132.036   9.8009  219.510   32.085  219.681   45.589  219.342   45.163  131.501   14.103  131.417   13.976 0.8352661E-01 19.85555 
1 1 1   15   12    9 o  328.306   11.548  1351.49   94.677  1426.68  134.158  1276.88  133.631  336.673   15.957  317.918   16.893 18.75449 23.23792 
1 1 1   15   12   10 f  160.906   9.7466  325.456   38.978  318.954   55.451  331.806   54.802  158.692   14.141  161.954   13.679 -3.261581 19.67406 
1 1 1   15   12   11 o  344.234   12.432  1487.33  106.866  1457.95  151.184  1516.67  151.080  339.409   17.901  346.289   17.528 -6.879974 25.05336 
1 1 1   15   12   12 o  376.815   13.165  1783.79  123.879  1772.61  175.420  1794.91  174.962  373.979   18.844  376.843   18.592 -2.863464 26.47221 
1 1 1   15   12   13 o  229.071   14.489  662.864   82.457  693.562  113.794  628.925  119.652  233.209   19.725  221.441   21.926 11.76814 29.49253 
1 1 1   15   12   14 o  148.195   13.039  278.116   47.762  250.857   63.304  314.140   72.773  139.625   18.620  156.418   19.022 -16.79387 26.61876 
1 1 1   15   12   15 o  116.179   13.893  172.214   39.508  176.487   51.460  166.078   61.659  116.766   18.245  112.222   22.780 4.544258 29.18617 
1 1 1   15   12   16 o  249.428   14.899  786.815   92.378  789.940  127.998  783.417  133.457  248.433   20.824  247.095   21.854 1.338531 30.18675 
1 1 1   15   12   17 o  357.104   18.291  1619.64  162.564  1682.27  228.441  1555.39  231.388  361.126   25.496  346.523   26.952 14.60309 37.10023 
1 1 1   15   12   18 o  155.142   13.034  304.912   50.029  268.351   67.406  349.757   74.652  144.206   19.195  165.134   18.417 -20.92793 26.60123 
1 1 1   15   12   19 o  442.945   21.236  2500.92  234.896  2491.53  330.851  2510.46  333.552  436.442   30.549  438.014   30.689 -1.571747 43.30193 
1 1 1   15   12   20 o  281.392   15.752  1003.30  110.244  1035.08  154.561  970.384  157.292  283.900   21.973  274.407   23.171 9.492737 31.93234 
1 1 1   15   12   21 o   86.951   15.168   98.137   31.737  115.676   42.716   76.524   47.417   93.834   18.883   76.800   22.955 17.03458 29.72384 
1 1 1   15   12   22 o  447.430   21.413  2556.13  239.250  2572.10  337.865  2540.06  338.839  442.748   30.749  439.759   31.055 2.988617 43.70271 
1 1 1   15   12   23 o  138.178   13.051  242.508   44.499  271.936   61.904  211.043   64.010  145.496   17.382  127.071   20.899 18.42591 27.18275 
1 1 1   15   12   24 o  201.527   13.436  513.969   67.228  594.513   95.233  433.956   94.918  215.762   17.835  183.224   21.133 32.53865 27.65259 
1 1 1   15   12   25 o  478.384   22.578  2933.61  269.718  2881.17  381.221  2986.17  381.658  466.342   32.948  475.284   32.349 -8.942719 46.17373 
1 1 1   15   12   26 o  114.803   10.066  166.710   28.565  140.442   45.389  183.938   36.757  103.692   18.192  120.249   12.420 -16.55748 22.02736 
1 1 1   15   12   27 o  219.979   9.9150  607.538   54.466  655.736   80.951  567.672   73.622  227.427   14.327  211.614   14.011 15.81293 20.03938 
1 1 1   15   12   28 o  172.219   9.7263  373.560   41.658  354.279   62.881  388.641   55.613  166.630   15.282  175.126   12.805 -8.495605 19.93792 
1 1 1   15   12   29 o  239.242   10.726  719.885   64.080  712.440   93.805  726.398   87.744  236.445   15.981  239.110   14.767 -2.665024 21.75929 
1 1 1   15   12   30 o  107.022   10.273  145.364   27.116  159.077   39.704  133.375   37.123  111.121   14.667  101.491   15.108 9.630043 21.05625 
1 1 1   15   12   31 o  261.143   11.106  859.847   72.426  912.631  105.187  812.263   99.871  267.263   15.831  252.044   15.950 15.21857 22.47276 
1 1 1   15   12   32 o  125.136   9.7925  198.406   30.356  183.459   42.510  213.958   43.363  119.227   14.582  129.124   13.655 -9.896912 19.97759 
1 1 1   15   12   33 o  198.245   10.128  497.284   49.972  467.325   70.743  527.123   70.600  190.667   14.978  202.916   14.019 -12.24849 20.51532 
1 1 1   15   12   34 o  135.500   10.941  234.046   36.705  257.228   50.432  207.936   53.522  141.033   14.528  125.635   17.538 15.39822 22.77350 
1 1 1   15   12   35 o   77.891   20.887   83.215   41.463   6.7268  105.221   97.276   45.113   71.303   31.166   84.007   21.435 -12.70369 37.82504 
1 1 1   15   12   36 o   75.530   20.582   78.633   39.879  245.379  111.139   53.991   42.724  126.296   34.336   64.803   22.060 61.49290 40.81226 
1 1 1   15   12   37 o  124.263   11.952  199.385   36.631  204.550   47.590  191.878   57.379  124.450   15.660  118.455   20.117 5.995094 25.49400 
1 1 1   15   12   38 o  125.858   12.120  205.136   37.621  188.087   48.225  231.641   60.130  118.566   16.755  130.630   18.989 -12.06432 25.32391 
1 1 1   15   12   39 o   75.325   14.510   76.224   26.304   79.113   31.715   69.857   47.085   75.895   17.139   70.948   23.136 4.947418 28.79306 
1 1 1   15   12   40 o   75.157   15.420   76.872   27.971   85.899   33.809   57.289   49.794   78.708   17.638   66.010   23.718 12.69806 29.55741 
1 1 1   15   12   41 o  111.681   23.070  182.354   62.210   0.0000   0.0000  182.354   62.210  ?   ?   111.681   23.070 0.000000 23.06990 
1 1 1   15   13    0 f  191.380   10.818  460.701   51.487  404.728   60.638  605.308   97.466  178.923   13.675  218.174   18.052 -39.25095 22.64678 
1 1 1   15   13    1 o  461.865   17.617  2692.41  203.189  2624.64  247.749  2831.64  355.125  454.714   21.818  467.734   30.572 -13.02054 37.55939 
1 1 1   15   13    2 o  470.621   18.363  2797.08  215.807  2870.79  263.541  2647.06  375.987  475.543   22.193  450.749   33.646 24.79434 40.30557 
1 1 1   15   13    3 o  463.497   32.022  2785.38  368.368  2785.38  368.368   0.0000   0.0000  463.497   32.022  ?   ?  0.000000 32.02248 
1 1 1   15   13    4 o  262.024   12.226  861.431   79.995  825.162   96.399  941.643  143.358  255.675   15.166  271.817   21.290 -16.14209 26.13975 
1 1 1   15   13    5 o  180.304   11.764  409.445   52.677  430.744   62.932  359.594   96.277  184.671   13.745  166.591   23.821 18.07961 27.50238 
1 1 1   15   13    6 o  262.610   11.003  864.463   72.158  880.601  101.901  848.232  102.194  264.094   15.520  259.112   15.870 4.981903 22.19740 
1 1 1   15   13    7 o  156.519   9.8215  308.045   38.193  236.056   53.726  381.599   54.307  135.992   16.135  173.923   12.589 -37.93156 20.46527 
1 1 1   15   13    8 o  348.074   12.583  1520.68  109.369  1534.62  154.803  1506.79  154.539  348.302   17.858  345.086   17.996 3.216278 25.35255 
1 1 1   15   13    9 o  584.631   18.056  4314.71  263.608  4420.87  372.903  4208.68  372.694  588.657   25.368  574.049   25.999 14.60846 36.32439 
1 1 1   15   13   10 o  525.888   16.105  3484.25  211.499  3566.88  299.236  3401.77  298.973  529.788   22.618  517.166   23.150 12.62195 32.36533 
1 1 1   15   13   11 o  267.494   10.808  897.158   72.195  884.499  102.310  909.713  101.889  264.564   15.554  268.379   15.266 -3.815216 21.79425 
1 1 1   15   13   12 o  207.766   9.8006  540.903   50.849  533.983   72.278  547.685   71.549  205.557   14.167  208.247   13.837 -2.690079 19.80351 
1 1 1   15   13   13 f  369.892   17.795  1729.26  164.372  1513.21  229.508  1956.79  235.523  342.331   27.068  390.752   24.257 -48.42117 36.34655 
1 1 1   15   13   14 o  329.458   17.369  1375.38  142.396  1418.51  199.274  1330.39  203.550  332.353   24.176  321.278   25.583 11.07523 35.19916 
1 1 1   15   13   15 o   97.252   14.868  121.844   34.962  152.642   44.995   74.919   55.540  108.625   17.157   77.481   25.120 31.14404 30.42033 
1 1 1   15   13   16 o  354.908   12.185  1582.85  107.988  1661.29  153.441  1505.86  152.005  362.515   16.950  344.505   17.729 18.00925 24.52787 
1 1 1   15   13   17 o  345.121   12.886  1498.21  111.053  1470.34  157.486  1525.78  156.623  340.054   18.616  346.573   18.160 -6.519348 26.00708 
1 1 1   15   13   18 o  335.728   12.516  1417.43  104.929  1393.22  148.951  1441.29  147.840  331.098   18.083  336.922   17.633 -5.823547 25.25735 
1 1 1   15   13   19 o  264.748   10.933  880.060   72.281  862.233  103.115  897.282  101.349  260.774   15.911  266.188   15.311 -5.413971 22.08139 
1 1 1   15   13   20 o  217.100   9.6491  591.116   52.312  609.083   75.522  574.545   72.528  219.435   13.853  213.128   13.700 6.307159 19.48346 
1 1 1   15   13   21 o  142.119   9.3359  254.339   32.948  274.222   48.746  237.614   44.707  146.955   13.432  136.740   13.259 10.21457 18.87398 
1 1 1   15   13   22 o  284.069   15.752  1022.98  111.299   0.0000   0.0000  1022.98  111.299  ?   ?   284.069   15.752 0.000000 15.75150 
1 1 1   15   13   23 o  244.392   10.711  750.060   65.371  890.792   82.840  517.782  106.426  266.064   12.468  200.215   21.630 65.84837 24.96633 
1 1 1   15   13   24 o  237.207   9.9834  706.137   59.136  768.836   86.578  651.302   80.967  246.497   14.124  226.754   14.373 19.74294 20.15137 
1 1 1   15   13   25 o  151.617   9.5700  289.531   36.048  299.378   54.686  281.965   47.936  153.351   14.451  149.063   13.008 4.288177 19.44320 
1 1 1   15   13   26 o   98.144   12.506  123.191   29.953  153.242   40.394   86.483   44.644  109.087   15.245   80.813   21.675 28.27367 26.49956 
1 1 1   15   13   27 o  176.330   12.923  393.887   56.506  425.438   80.110  362.647   79.715  182.148   17.841  167.619   19.403 14.52882 26.35882 
1 1 1   15   13   28 f  392.601   19.182  1966.16  188.064  1856.79  265.258  2076.71  266.672  375.853   28.473  398.612   26.949 -22.75952 39.20396 
1 1 1   15   13   29 o  190.267   13.610  459.535   64.238  616.435   89.970  296.367   91.749  219.724   16.518  149.180   25.548 70.54387 30.42249 
1 1 1   15   13   30 o  213.439   9.8787  572.655   52.653  493.689   77.783  639.443   71.534  196.498   15.990  224.679   12.803 -28.18076 20.48423 
1 1 1   15   13   31 o  107.564   10.077  146.852   26.751  134.661   38.673  158.037   37.043  101.753   15.727  110.900   13.665 -9.147148 20.83427 
1 1 1   15   13   32 o  154.278   9.9909  301.059   38.284  347.607   55.781  259.606   52.639  164.942   13.666  142.008   15.074 22.93405 20.34668 
1 1 1   15   13   33 o  170.739   9.9789  368.938   42.362  362.615   60.491  375.023   59.343  168.001   14.563  171.047   14.016 -3.045563 20.21215 
1 1 1   15   13   34 o  299.864   12.039  1142.08   90.151  1193.35  128.878  1092.97  126.152  303.500   17.074  290.157   17.492 13.34296 24.44389 
1 1 1   15   13   35 o   91.643   12.074  108.685   26.958  134.510   35.255   72.325   41.833  101.463   14.312   72.997   21.498 28.46668 25.82650 
1 1 1   15   13   36 o  135.937   11.620  237.197   39.067  272.179   52.640  194.305   58.289  144.515   14.795  119.634   20.232 24.88101 25.06488 
1 1 1   15   13   37 o   57.659   19.898   41.597   34.789  168.112  114.285   28.677   36.522  104.444   36.063   52.766   20.059 51.67733 41.26670 
1 1 1   15   13   38 o   74.487   21.213   77.443   41.360   70.066  120.393   78.431   44.040   83.284   34.757   74.888   22.059 8.396233 41.16640 
1 1 1   15   13   39 o  105.125   12.820  144.566   32.958  155.365   42.089  127.448   52.993  107.675   16.151   94.398   22.748 13.27673 27.89904 
1 1 1   15   13   40 f  176.319   12.590  404.178   55.068  382.835   70.743  436.996   87.722  168.871   17.007  178.170   20.066 -9.298782 26.30340 
1 1 1   15   13   41 o  164.990   21.379  383.985   86.012   0.0000   0.0000  383.985   86.012  ?   ?   164.990   21.379 0.000000 21.37895 
1 1 1   15   14    0 o  221.686   12.494  619.409   68.882  670.109   82.772  505.215  124.223  230.251   14.469  196.959   25.884 33.29231 29.65333 
1 1 1   15   14    1 o  464.823   18.291  2732.85  212.310  2812.68  259.220  2570.15  370.046  470.185   22.077  442.895   33.711 27.28976 40.29731 
1 1 1   15   14    2 o  352.318   14.964  1562.95  131.653  1617.36  160.186  1449.68  231.106  357.292   18.011  334.807   27.896 22.48477 33.20508 
1 1 1   15   14    3 o  531.532   36.154  3711.46  477.035  3711.46  477.035   0.0000   0.0000  531.532   36.154  ?   ?  0.000000 36.15417 
1 1 1   15   14    4 o   94.474   23.804  118.074   56.135  118.074   56.135   0.0000   0.0000   94.474   23.804  ?   ?  0.000000 23.80431 
1 1 1   15   14    5 o  250.166   12.144  785.518   75.863  781.431   91.438  794.547  135.893  248.773   14.785  249.181   22.067 -0.4087067 26.56247 
1 1 1   15   14    6 o  517.718   19.578  3392.15  253.110  3349.80  309.155  3478.24  440.804  512.686   24.148  516.072   34.402 -3.385803 42.03077 
1 1 1   15   14    7 o  412.275   14.938  2139.08  153.792  1947.78  186.917  2539.99  270.592  392.435   19.073  445.709   24.404 -53.27393 30.97362 
1 1 1   15   14    8 o  523.107   19.757  3464.54  258.086  3444.74  315.402  3504.66  448.984  519.772   24.300  517.553   34.944 2.219482 42.56265 
1 1 1   15   14    9 o  314.792   11.417  1243.16   89.746  1244.08  126.878  1242.24  126.963  313.741   16.250  313.503   16.274 0.2381592 22.99771 
1 1 1   15   14   10 o  133.919   8.6433  225.476   28.751  247.924   41.177  204.121   40.161  140.049   11.886  126.831   12.858 13.21763 17.51037 
1 1 1   15   14   11 o  534.559   17.080  3607.61  228.005  3609.06  322.503  3606.16  322.391  531.682   24.290  531.468   24.292 0.2142334 34.35250 
1 1 1   15   14   12 o  324.697   11.325  1323.00   91.827  1371.37  130.184  1275.11  129.543  329.795   15.807  317.484   16.396 12.31082 22.77481 
1 1 1   15   14   13 o  277.237   15.613  972.146  107.652  966.317  149.162  978.482  155.522  274.702   21.927  276.175   22.753 -1.472717 31.59900 
1 1 1   15   14   14 o  330.755   17.252  1386.61  142.003  1369.78  198.282  1404.33  203.464  326.280   24.515  330.257   24.853 -3.977051 34.90918 
1 1 1   15   14   15 o   85.869   10.041   93.712   21.124  108.928   31.192   80.820   28.710   91.989   14.022   78.771   15.145 13.21780 20.63983 
1 1 1   15   14   16 o  174.978   8.8485  384.592   38.538  417.993   55.170  352.763   53.856  181.962   12.212  166.961   13.020 15.00076 17.85116 
1 1 1   15   14   17 o  384.472   13.705  1861.49  131.579  1879.97  186.547  1843.19  185.618  384.235   19.506  380.410   19.606 3.824921 27.65669 
1 1 1   15   14   18 o  306.043   11.535  1176.73   88.159  1197.85  125.312  1156.03  124.049  307.395   16.384  301.930   16.515 5.465027 23.26331 
1 1 1   15   14   19 o  189.904   9.5657  453.384   45.217  440.687   65.048  465.257   62.901  186.475   14.073  191.794   13.214 -5.318939 19.30387 
1 1 1   15   14   20 o  201.315   9.9820  508.475   50.181  482.543   72.163  532.755   69.829  194.982   14.934  205.184   13.707 -10.20172 20.27112 
1 1 1   15   14   21 o  174.991   9.2486  385.017   40.271  430.427   59.974  347.730   54.345  184.434   13.107  165.649   13.249 18.78506 18.63664 
1 1 1   15   14   22 o  212.076   11.773  567.176   62.102  567.916   76.358  565.731  106.735  211.669   14.534  209.682   20.652 1.987381 25.25388 
1 1 1   15   14   23 o  299.091   11.566  1124.51   86.387  1111.06  123.704  1137.31  120.690  295.730   16.820  299.399   16.203 -3.668762 23.35503 
1 1 1   15   14   24 o  454.900   15.360  2615.23  174.484  2566.21  248.032  2663.25  245.501  447.700   22.186  456.411   21.540 -8.711060 30.92206 
1 1 1   15   14   25 o  349.316   12.749  1536.63  111.207  1520.84  159.186  1551.67  155.424  345.423   18.522  349.154   17.886 -3.731720 25.74816 
1 1 1   15   14   26 o  180.016   9.3083  407.592   41.701  464.468   63.223  363.794   55.480  191.504   13.303  169.391   13.220 22.11317 18.75501 
1 1 1   15   14   27 o  158.122   9.5092  314.883   37.373  333.704   57.399  301.031   49.242  161.936   14.342  154.025   12.922 7.911133 19.30499 
1 1 1   15   14   28 o  372.826   13.105  1753.07  122.008  1793.33  175.406  1715.34  169.820  375.133   18.724  366.488   18.617 8.644958 26.40443 
1 1 1   15   14   29 o  142.933   9.5329  257.663   33.831  345.120   52.900  197.141   44.006  164.895   12.951  124.031   14.481 40.86372 19.42721 
1 1 1   15   14   30 o  365.978   16.100  1702.19  147.140  1640.53  182.030  1818.42  249.927  356.809   20.516  371.495   27.128 -14.68561 34.01240 
1 1 1   15   14   31 o  341.150   17.908  1492.87  152.029  1554.18  212.756  1428.91  217.321  343.875   24.946  328.452   26.728 15.42255 36.56029 
1 1 1   15   14   32 o  329.533   17.788  1397.42  145.838  1465.34  202.572  1324.33  210.127  333.089   24.526  314.779   26.993 18.30991 36.47131 
1 1 1   15   14   33 o  237.468   11.579  713.661   68.667  657.615  111.829  747.580   86.999  224.116   20.199  241.732   14.479 -17.61621 24.85207 
1 1 1   15   14   34 o  213.260   11.159  577.607   59.220  621.699   85.271  536.526   82.307  219.514   15.658  203.557   16.330 15.95631 22.62382 
1 1 1   15   14   35 o  256.820   11.304  837.681   72.493  851.732  103.443  824.120  101.622  256.208   16.252  252.017   16.234 4.191528 22.97114 
1 1 1   15   14   36 o  107.579   11.438  148.948   30.257  150.207   39.856  147.235   46.485  106.790   15.390  104.569   18.477 2.220657 24.04704 
1 1 1   15   14   37 o   80.584   12.999   85.332   25.269  100.335   31.960   60.316   41.269   86.785   15.307   67.112   21.643 19.67233 26.50875 
1 1 1   15   14   38 o  193.427   12.394  482.322   59.549  482.052   80.588  482.647   88.379  190.711   17.104  189.628   18.916 1.082703 25.50192 
1 1 1   15   14   39 o  138.026   11.701  246.079   39.950  235.729   52.247  260.649   61.991  133.164   16.034  138.876   18.322 -5.712463 24.34749 
1 1 1   15   14   40 o   67.302   21.597   62.613   41.134  151.999  151.461   55.495   42.741   98.281   39.771   64.458   22.064 33.82372 45.48151 
1 1 1   15   14   41 o   53.417   20.611   30.388   38.934   0.0000   0.0000   30.388   38.934  ?   ?    53.417   20.611 0.000000 20.61068 
1 1 1   15   15    0 o   72.910   15.116   69.490   26.618   67.897   29.586   76.254   60.979   71.874   16.787   78.886   26.357 -7.012054 31.24946 
1 1 1   15   15    1 f  244.493   12.484  753.324   75.969  768.975   91.235  717.938  137.186  246.550   14.888  235.870   23.608 10.68004 27.91055 
1 1 1   15   15    2 o  198.746   11.823  497.806   58.411  519.429   69.592  446.258  107.451  202.692   13.832  185.474   23.745 17.21825 27.47942 
1 1 1   15   15    3 o  312.198   13.401  1225.90  104.478  1175.87  126.277  1334.47  186.021  304.720   16.658  322.602   23.247 -17.88181 28.59901 
1 1 1   15   15    4 o  427.847   30.215  2379.34  320.745  2379.34  320.745   0.0000   0.0000  427.847   30.215  ?   ?  0.000000 30.21495 
1 1 1   15   15    5 o  405.427   16.300  2073.79  165.029  2077.57  201.100  2065.99  288.783  404.771   19.895  399.185   29.172 5.586456 35.31043 
1 1 1   15   15    6 o  361.121   14.780  1642.15  133.281  1606.64  162.007  1716.51  234.445  355.948   18.288  365.193   25.876 -9.244293 31.68587 
1 1 1   15   15    7 o  329.662   14.201  1367.58  116.904  1371.94  142.080  1358.45  205.697  329.116   17.349  324.811   25.566 4.304657 30.89703 
1 1 1   15   15    8 o  438.642   17.072  2429.72  187.001  2369.54  227.942  2553.61  327.034  431.882   21.135  443.776   29.682 -11.89368 36.43770 
1 1 1   15   15    9 o  358.925   15.259  1623.29  136.768  1680.23  166.651  1505.82  239.365  363.971   18.395  340.842   28.381 23.12891 33.82066 
1 1 1   15   15   10 o  165.103   12.178  344.202   49.853  402.201   59.750  211.315   90.441  178.326   13.518  125.545   29.370 52.78178 32.33195 
1 1 1   15   15   11 o  546.121   17.906  3772.62  244.201  3720.24  345.225  3825.08  345.480  538.661   25.665  546.389   25.320 -7.727661 36.05270 
1 1 1   15   15   12 o  218.594   9.7915  599.007   53.449  621.664   75.983  576.816   75.199  221.839   13.784  213.582   14.180 8.256348 19.77555 
1 1 1   15   15   13 o  196.166   13.161  486.160   64.095  402.814   85.392  593.711   97.002  177.128   19.636  215.809   18.169 -38.68073 26.75176 
1 1 1   15   15   14 f  367.568   18.267  1711.63  167.669  1642.04  234.205  1784.80  240.144  356.296   26.513  371.762   26.032 -15.46625 37.15628 
1 1 1   15   15   15 o  120.819   9.7041  184.199   29.031  168.117   41.619  199.439   40.515  114.533   14.905  125.226   13.153 -10.69301 19.87839 
1 1 1   15   15   16 f  140.120   9.3972  247.233   32.691  222.075   46.661  271.486   45.814  131.977   14.391  146.383   12.658 -14.40596 19.16592 
1 1 1   15   15   17 o  296.867   11.513  1107.23   85.353  1124.32  121.195  1090.42  120.226  297.781   16.361  293.209   16.487 4.571960 23.22696 
1 1 1   15   15   18 o  172.366   9.2404  373.526   39.629  380.397   56.781  367.001   55.333  173.331   13.218  170.253   13.116 3.078400 18.62102 
1 1 1   15   15   19 o  167.212   9.5191  351.765   39.583  399.974   57.267  307.661   54.775  177.789   12.989  155.572   14.258 22.21657 19.28712 
1 1 1   15   15   20 o  332.317   12.738  1389.94  105.710  1340.19  150.060  1438.95  148.939  324.351   18.605  336.407   17.793 -12.05576 25.74304 
1 1 1   15   15   21 o  274.225   11.200  944.851   76.699  938.322  109.636  951.109  107.338  271.880   16.222  273.857   15.762 -1.977020 22.61873 
1 1 1   15   15   22 o  216.038   10.061  585.745   54.280  572.853   78.089  597.798   75.502  212.516   14.807  217.295   13.989 -4.778656 20.36987 
1 1 1   15   15   23 o  350.520   12.453  1546.29  108.999  1559.83  155.451  1533.20  152.876  350.168   17.836  347.212   17.690 2.956055 25.12148 
1 1 1   15   15   24 o  468.675   15.533  2777.15  181.799  2805.11  258.448  2749.76  255.778  468.050   22.112  463.415   22.103 4.635193 31.26447 
1 1 1   15   15   25 o  149.876   9.4521  282.909   35.195  284.270   53.620  281.878   46.651  149.361   14.561  149.095   12.649 0.2662659 19.28811 
1 1 1   15   15   26 o   58.347   12.981   44.565   18.425   67.956   30.918   31.683   22.945   71.772   17.425   50.518   16.122 21.25378 23.73940 
1 1 1   15   15   27 o  237.558   10.374  708.926   61.540  724.618   91.007  695.705   83.534  238.844   15.340  234.262   14.349 4.582108 21.00439 
1 1 1   15   15   28 o  259.328   10.677  845.361   69.142  903.607  102.090  796.005   93.976  266.726   15.393  250.369   15.102 16.35648 21.56371 
1 1 1   15   15   29 o  439.378   14.096  2440.71  154.667  2621.73  222.128  2270.35  215.487  452.742   19.647  420.865   20.503 31.87695 28.39729 
1 1 1   15   15   30 o  207.821   9.9742  542.958   51.763  665.599   78.062  446.712   69.153  229.012   13.713  187.152   14.921 41.86002 20.26513 
1 1 1   15   15   31 o  441.147   15.255  2473.43  168.052  2547.19  240.417  2402.94  235.000  443.700   21.698  430.292   21.943 13.40729 30.85960 
1 1 1   15   15   32 o  486.474   16.094  3022.08  195.512  3198.75  279.246  2852.20  273.826  495.187   22.582  466.174   23.599 29.01257 32.66297 
1 1 1   15   15   33 o  347.270   12.943  1531.09  112.244  1632.97  161.719  1436.40  155.914  355.300   18.289  332.824   18.837 22.47629 26.25471 
1 1 1   15   15   34 o  218.423   15.276  614.435   82.796  660.707  107.745  547.709  129.385  224.481   19.412  200.164   26.539 24.31642 32.88083 
1 1 1   15   15   35 o  249.540   17.109  810.976  105.971  920.629  138.384  655.505  164.778  263.077   21.246  213.825   31.830 49.25220 38.26938 
1 1 1   15   15   36 f   91.412   12.191  108.413   27.136  108.008   35.353  108.994   42.336   89.973   16.337   89.343   19.521 0.6294785 25.45514 
1 1 1   15   15   37 o  149.009   11.594  285.096   42.803  324.247   57.707  237.215   63.817  157.635   14.834  132.307   19.934 25.32744 24.84793 
1 1 1   15   15   38 o  169.587   12.182  370.633   51.248  401.149   68.875  332.784   76.706  174.560   15.978  156.561   20.083 17.99910 25.66326 
1 1 1   15   15   39 o   73.250   14.266   71.846   25.156   85.607   30.676   43.592   43.957   79.538   15.999   60.413   22.199 19.12503 27.36328 
1 1 1   15   15   40 o   70.275   22.444   68.884   44.464   0.0000   0.0000   68.884   44.464  ?   ?    70.275   22.444 0.000000 22.44435 
1 1 1   15   16    0 o  453.937   18.045  2614.50  204.548  2678.02  249.317  2483.70  357.763  457.740   21.811  433.128   33.333 24.61209 39.83509 
1 1 1   15   16    1 o  185.152   11.847  432.645   54.489  464.992   64.488  351.914  101.877  191.668   13.561  163.491   25.810 28.17714 29.15561 
1 1 1   15   16    2 o  247.943   11.085  771.976   68.632  679.078   81.590  996.755  126.915  231.709   14.169  279.809   18.264 -48.10019 23.11546 
1 1 1   15   16    3 o  237.643   12.434  711.966   73.530  749.844   88.411  626.987  132.426  243.462   14.610  219.861   24.538 23.60132 28.55828 
1 1 1   15   16    4 o  156.265   11.227  308.145   43.518  276.724   50.505  398.729   85.753  147.611   13.864  176.119   19.844 -28.50717 24.20722 
1 1 1   15   16    5 o  233.139   21.456  697.699  123.516  697.699  123.516   0.0000   0.0000  233.139   21.456  ?   ?  0.000000 21.45641 
1 1 1   15   16    6 o  227.527   12.287  652.425   69.554  690.264   83.639  567.593  125.234  233.653   14.405  209.239   24.428 24.41383 28.35867 
1 1 1   15   16    7 o  499.397   19.008  3161.95  237.042  3119.24  289.263  3249.27  413.594  494.060   23.446  497.402   33.493 -3.341339 40.88363 
1 1 1   15   16    8 o  387.760   13.850  1892.71  134.107  1693.05  162.469  2319.63  237.570  365.776   17.787  425.931   22.415 -60.15509 28.61467 
1 1 1   15   16    9 o  576.620   21.726  4235.35  312.836  4274.36  382.425  4156.44  543.896  576.449   26.567  557.704   39.305 18.74536 47.44128 
1 1 1   15   16   10 o  288.365   13.588  1046.54   97.846  1137.14  118.903  856.494  172.210  299.732   15.943  256.506   27.305 43.22607 31.61860 
1 1 1   15   16   11 o  276.309   12.733  960.017   87.854  928.042  106.291  1028.96  156.083  270.711   15.792  283.205   22.249 -12.49377 27.28382 
1 1 1   15   16   12 o  245.421   11.516  756.478   70.579  690.551   84.697  906.291  127.676  233.628   14.590  266.553   19.312 -32.92456 24.20407 
1 1 1   15   16   13 o  233.663   15.056  691.460   87.386  766.932  119.608  605.054  127.980  244.943   19.722  216.074   24.131 28.86842 31.16458 
1 1 1   15   16   14 o  433.287   20.663  2390.20  223.576  2291.83  313.216  2492.39  319.238  418.800   30.151  437.287   29.406 -18.48694 42.11621 
1 1 1   15   16   15 o  252.776   10.295  801.762   64.987  840.553   92.315  763.652   91.500  257.820   14.396  245.573   14.993 12.24768 20.78516 
1 1 1   15   16   16 o  535.806   17.549  3637.16  234.800  3678.97  332.305  3595.48  331.812  534.987   24.874  528.724   25.131 6.262329 35.35932 
1 1 1   15   16   17 o  367.271   12.528  1696.99  114.897  1758.86  162.927  1635.79  162.055  372.569   17.512  358.668   18.152 13.90143 25.22268 
1 1 1   15   16   18 o  116.425   9.9228  171.281   28.574  175.507   41.344  167.416   39.536  117.103   14.444  114.391   14.141 2.712029 20.21418 
1 1 1   15   16   19 o  193.131   9.2948  467.726   44.827  487.073   64.481  449.630   62.362  196.219   13.237  188.472   13.336 7.746841 18.79025 
1 1 1   15   16   20 o  421.479   20.603  2265.63  216.849   0.0000   0.0000  2265.63  216.849  ?   ?   421.479   20.603 0.000000 20.60302 
1 1 1   15   16   21 o  459.122   22.263  2698.65  255.247  2698.65  255.247   0.0000   0.0000  459.122   22.263  ?   ?  0.000000 22.26290 
1 1 1   15   16   22 o  173.747   8.7500  379.364   37.843  435.673   55.498  330.432   51.735  185.723   12.031  161.477   12.939 24.24648 17.66791 
1 1 1   15   16   23 o  152.555   9.9712  293.320   37.777  270.997   55.511  312.576   51.558  145.621   15.504  156.956   13.279 -11.33521 20.41300 
1 1 1   15   16   24 o  323.937   12.496  1321.06  101.087  1225.67  144.149  1413.35  141.796  309.915   18.714  333.459   17.086 -23.54352 25.34015 
1 1 1   15   16   25 o  331.265   12.147  1381.10  100.486  1422.56  144.355  1342.12  139.965  334.401   17.346  324.793   17.319 9.607941 24.51235 
1 1 1   15   16   26 o  194.085   9.6986  472.793   47.006  489.943   70.496  459.065   63.074  196.435   14.473  190.351   13.354 6.083786 19.69257 
1 1 1   15   16   27 o  395.234   13.338  1970.32  131.640  2120.77  189.217  1829.20  183.259  408.117   18.566  378.196   19.470 29.92145 26.90353 
1 1 1   15   16   28 o  102.642   10.012  133.568   25.334  152.870   41.415  122.026   32.025  108.781   15.701   97.427   13.528 11.35371 20.72500 
1 1 1   15   16   29 o  371.574   12.869  1742.13  119.410  1823.93  172.358  1666.63  165.589  378.202   18.250  361.015   18.429 17.18698 25.93619 
1 1 1   15   16   30 o  114.471   9.8824  165.921   27.973  173.289   43.912  160.890   36.288  115.852   15.573  112.090   13.218 3.762062 20.42659 
1 1 1   15   16   31 o  256.966   11.171  832.435   71.685  803.731  105.037  857.461   98.076  250.428   16.895  259.321   15.212 -8.892502 22.73399 
1 1 1   15   16   32 o  392.608   13.585  1955.87  133.194  2082.76  191.657  1837.35  185.236  402.020   19.091  376.718   19.760 25.30212 27.47546 
1 1 1   15   16   33 o  119.595   10.121  181.668   29.942  203.779   43.115  161.070   41.614  125.802   13.960  111.290   15.385 14.51205 20.77438 
1 1 1   15   16   34 o  126.109   10.757  202.611   33.551  221.024   47.710  184.597   47.190  130.614   14.894  118.777   16.343 11.83743 22.11143 
1 1 1   15   16   35 o  187.895   11.677  450.355   54.520  501.713   78.116  401.578   76.129  196.557   16.055  175.000   17.662 21.55635 23.86876 
1 1 1   15   16   36 o  169.711   11.216  367.894   47.266  409.393   66.186  324.701   67.523  177.506   15.074  156.851   17.539 20.65497 23.12686 
1 1 1   15   16   37 o  184.956   15.545  447.086   71.132  464.119   79.743  380.753  157.367  187.537   17.220  151.878   40.677 35.65939 44.17221 
1 1 1   15   16   38 o  206.458   18.443  568.828   94.085  650.036  106.941  290.678  197.917  219.827   19.690  125.760   46.935 94.06628 50.89803 
1 1 1   15   16   39 o   91.476   17.060  113.457   37.537  113.457   37.537   0.0000   0.0000   91.476   17.060  ?   ?  0.000000 17.06007 
1 1 1   15   16   40 o   39.156   17.177  -4.0785   32.220   0.0000   0.0000  -4.0785   32.220  ?   ?    39.156   17.177 0.000000 17.17679 
1 1 1   15   17    0 o  574.446   27.131  4285.53  389.196  4437.81  547.143  4129.57  553.729  572.513   38.494  549.801   40.619 22.71283 55.96155 
1 1 1   15   17    1 o  309.885   14.292  1211.95  110.597  1314.07  134.015  993.903  195.831  321.622   16.744  274.792   28.975 46.82983 33.46510 
1 1 1   15   17    2 o  121.789   11.773  188.214   35.358  169.570   40.073  253.759   75.135  115.090   14.247  139.172   22.378 -24.08108 26.52834 
1 1 1   15   17    3 o   70.174   14.803   64.457   25.125   54.748   27.565  112.129   61.080   64.584   16.897   91.892   25.643 -27.30821 30.70976 
1 1 1   15   17    4 o   46.015   15.792   24.472   21.898   20.467   23.655   48.462   57.894   44.638   16.303   68.673   25.433 -24.03464 30.20954 
1 1 1   15   17    5 o  157.976   11.122  314.973   43.595  304.161   49.779  350.561   90.308  154.922   12.987  164.133   22.636 -9.211014 26.09666 
1 1 1   15   17    6 o  289.800   23.476  1082.33  168.433  1082.33  168.433   0.0000   0.0000  289.800   23.476  ?   ?  0.000000 23.47615 
1 1 1   15   17    7 o  156.017   11.677  307.538   45.163  335.937   53.108  233.355   85.836  162.849   13.172  132.277   26.902 30.57204 29.95330 
1 1 1   15   17    8 o  164.135   10.603  339.520   43.227  325.299   50.545  378.244   83.409  160.314   12.730  171.406   19.854 -11.09190 23.58499 
1 1 1   15   17    9 o  554.552   20.488  3914.63  283.717  3794.84  346.404  4158.75  494.502  543.132   25.540  559.998   35.546 -16.86560 43.76997 
1 1 1   15   17   10 o  157.076   10.644  311.088   41.506  266.903   48.084  440.255   82.212  144.994   13.433  185.559   17.967 -40.56483 22.43321 
1 1 1   15   17   11 o  549.631   20.893  3849.13  286.765  3890.84  350.433  3764.60  498.924  549.895   25.520  530.426   37.917 19.46887 45.70486 
1 1 1   15   17   12 o  291.686   13.010  1070.82   94.761  1037.81  114.674  1141.91  168.269  286.111   16.116  297.970   22.787 -11.85849 27.90994 
1 1 1   15   17   13 o  412.604   20.297  2167.53  209.135  2195.66  292.601  2138.15  299.026  410.433   28.730  404.341   29.825 6.092163 41.41195 
1 1 1   15   17   14 o  224.316   15.290  638.210   85.138  782.546  116.511  472.830  124.715  247.507   18.996  189.551   27.121 57.95566 33.11152 
1 1 1   15   17   15 o  273.514   12.416  941.116   84.800  897.721  102.524  1035.10  150.884  266.145   15.493  283.999   21.433 -17.85413 26.44650 
1 1 1   15   17   16 o  240.545   10.034  726.057   60.275  750.411   85.541  702.041   84.946  243.557   14.125  235.463   14.517 8.094238 20.25526 
1 1 1   15   17   17 o  126.225   9.6343  201.008   30.139  210.975   43.542  191.841   41.759  128.667   13.765  122.602   13.884 6.065247 19.55132 
1 1 1   15   17   18 o  308.607   10.290  1195.52   79.296  1314.07  112.930  1080.22  111.370  322.812   14.009  292.013   15.326 30.79843 20.76403 
1 1 1   15   17   19 o  263.292   9.8089  869.823   64.492  935.922   92.154  806.376   90.286  272.508   13.542  252.400   14.384 20.10785 19.75583 
1 1 1   15   17   20 o  257.992   10.600  835.898   68.292  855.130   97.278  817.209   95.896  259.758   15.061  253.880   15.196 5.877869 21.39516 
1 1 1   15   17   21 o  144.692   10.259  264.139   36.829  235.020   53.039  291.250   51.179  135.391   15.996  151.390   13.686 -15.99895 21.05185 
1 1 1   15   17   22 o  236.258   10.230  700.777   60.354  734.007   86.469  669.207   84.281  240.721   14.451  229.736   14.769 10.98494 20.66331 
1 1 1   15   17   23 o  316.071   12.061  1257.02   95.199  1273.49  135.830  1241.11  133.464  316.419   17.255  312.385   17.175 4.034027 24.34603 
1 1 1   15   17   24 o  511.731   17.149  3321.60  219.143  3251.67  310.789  3390.76  309.049  502.057   24.789  513.122   24.119 -11.06522 34.58646 
1 1 1   15   17   25 o  256.604   11.080  827.708   71.002  798.467  102.430  854.752   98.508  250.501   16.466  259.550   15.266 -9.048828 22.45390 
1 1 1   15   17   26 o  150.400   9.7010  285.099   36.240  299.060   55.146  274.486   48.080  153.174   14.594  146.963   13.243 6.211227 19.70694 
1 1 1   15   17   27 o  381.625   12.916  1836.12  123.087  2042.86  177.062  1642.78  171.229  400.849   17.689  358.411   19.201 42.43738 26.10685 
1 1 1   15   17   28 o  214.296   9.9022  576.817   52.990  620.363   79.405  541.852   71.152  221.040   14.465  206.662   13.867 14.37827 20.03879 
1 1 1   15   17   29 f  216.072   10.297  586.946   55.559  536.071   82.935  628.367   74.834  204.815   16.352  222.620   13.525 -17.80479 21.22046 
1 1 1   15   17   30 o  244.011   10.237  748.935   62.376  760.962   92.770  739.011   84.268  244.410   15.277  241.215   14.051 3.195297 20.75550 
1 1 1   15   17   31 o  260.805   10.602  856.792   69.049  897.664  101.847  822.027   93.932  265.228   15.444  253.971   14.876 11.25693 21.44305 
1 1 1   15   17   32 o  170.765   9.9105  368.485   42.080  428.713   63.205  320.538   56.395  183.223   13.918  158.141   14.440 25.08173 20.05542 
1 1 1   15   17   33 o  357.113   11.743  1614.57  104.726  1719.64  151.952  1519.50  144.535  366.028   16.624  343.954   16.828 22.07410 23.65443 
1 1 1   15   17   34 o  135.449   10.812  233.578   36.266  294.566   52.432  177.637   50.216  151.279   14.039  115.942   17.922 35.33648 22.76615 
1 1 1   15   17   35 o   69.681   11.490   63.218   19.296   53.718   24.464   78.861   31.393   63.364   15.572   76.653   16.859 -13.28938 22.94984 
1 1 1   15   17   36 o  100.218   11.511  129.457   28.284  147.115   38.077  107.721   42.247  105.904   14.802   88.811   19.576 17.09321 24.54263 
1 1 1   15   17   37 o  218.529   11.991  612.250   65.187  707.508   91.424  513.737   92.972  232.762   15.823  196.121   19.231 36.64122 24.90362 
1 1 1   15   17   38 o   81.226   12.371   86.421   24.300   83.803   31.080   90.539   38.975   78.727   16.344   80.894   19.518 -2.167213 25.45764 
1 1 1   15   17   39 o  114.527   19.456  179.689   53.653   0.0000   0.0000  179.689   53.653  ?   ?   114.527   19.456 0.000000 19.45612 
1 1 1   15   18    0 o  524.549   20.175  3518.00  264.271  3535.66  322.272  3481.75  461.746  522.826   24.684  507.287   36.698 15.53922 44.22695 
1 1 1   15   18    1 o  469.389   23.701  2846.17  276.909  3443.32  389.350  2234.97  393.908  510.758   30.668  403.908   39.562 106.8506 50.05661 
1 1 1   15   18    2 o  359.623   15.203  1635.68  136.534  1667.04  165.569  1569.03  241.369  361.544   18.399  345.888   28.190 15.65555 33.66291 
1 1 1   15   18    3 o  581.820   22.119  4339.61  321.365  4427.94  392.494  4159.97  559.761  584.073   26.910  551.408   40.944 32.66559 48.99557 
1 1 1   15   18    4 o  214.867   11.478  582.125   61.366  549.785   72.522  663.657  115.152  208.291   14.024  227.144   20.523 -18.85303 24.85687 
1 1 1   15   18    5 o  155.156   10.643  303.758   40.988  261.029   47.032  438.673   83.573  143.330   13.292  184.959   18.336 -41.62891 22.64671 
1 1 1   15   18    6 o  245.370   21.843  775.804  132.443  775.804  132.443   0.0000   0.0000  245.370   21.843  ?   ?  0.000000 21.84346 
1 1 1   15   18    7 o  187.375   15.170  446.303   70.374  465.493   94.538  422.454  105.391  190.111   20.224  179.861   24.068 10.24976 31.43730 
1 1 1   15   18    8 o  240.899   12.617  732.358   75.636  749.745   90.739  692.772  136.915  243.218   15.013  231.055   24.083 12.16321 28.37951 
1 1 1   15   18    9 o  122.210   12.017  189.602   36.199  203.628   41.634  146.160   73.273  126.449   13.389  104.347   27.669 22.10216 30.73822 
1 1 1   15   18   10 o  378.156   15.117  1805.96  142.756  1729.43  173.369  1967.10  251.587  368.427   18.908  389.592   26.009 -21.16531 32.15561 
1 1 1   15   18   11 o  200.992   11.020  508.970   55.099  472.493   65.158  600.513  103.221  193.173   13.594  216.484   19.296 -23.31186 23.60376 
1 1 1   15   18   12 o  244.964   11.968  754.646   73.211  718.594   87.659  837.788  133.118  238.145   14.814  255.391   21.061 -17.24602 25.74865 
1 1 1   15   18   13 o  236.028   12.646  703.160   74.268  741.396   89.550  618.921  132.919  241.881   14.898  217.989   24.862 23.89270 28.98426 
1 1 1   15   18   14 o  267.613   15.777  908.522  104.966  944.517  143.857  867.541  153.499  271.111   21.423  258.815   24.024 12.29599 32.18871 
1 1 1   15   18   15 o  344.721   14.362  1499.38  123.635  1475.07  150.298  1550.25  217.426  340.546   17.735  345.890   25.349 -5.344940 30.93698 
1 1 1   15   18   16 o  395.177   15.816  1975.02  156.078  1931.01  190.024  2066.27  273.626  388.951   19.628  398.157   27.693 -9.205780 33.94292 
1 1 1   15   18   17 o  178.754   10.613  402.687   47.162  364.323   55.885  497.616   87.910  169.531   13.308  197.189   18.053 -27.65764 22.42785 
1 1 1   15   18   18 o  275.296   12.812  954.417   88.078  1004.69  107.106  849.407  154.796  281.545   15.291  255.759   24.538 25.78580 28.91278 
1 1 1   15   18   19 o  201.092   14.106  512.635   70.388   0.0000   0.0000  512.635   70.388  ?   ?   201.092   14.106 0.000000 14.10629 
1 1 1   15   18   20 o  205.750   11.562  533.969   59.164  485.867   74.117  618.455   98.227  195.473   15.306  219.962   18.041 -24.48860 23.65941 
1 1 1   15   18   21 o  244.516   10.474  750.894   63.954  856.224   91.535  650.440   89.392  260.105   14.146  226.171   15.929 33.93416 21.30346 
1 1 1   15   18   22 f  366.817   11.999  1693.07  109.912  1886.82  156.759  1505.72  154.152  385.996   16.263  343.825   18.017 42.17029 24.27105 
1 1 1   15   18   23 o  263.901   11.271  875.578   74.274  831.443  105.820  918.435  104.276  255.605   16.670  269.007   15.590 -13.40182 22.82359 
1 1 1   15   18   24 o  503.747   21.429  3248.85  269.566  3878.15  387.517  2658.83  375.226  544.494   28.600  446.448   33.910 98.04562 44.36072 
1 1 1   15   18   25 o  350.842   18.552  1570.82  161.964  1506.01  234.947  1629.50  223.579  338.878   28.015  354.031   25.459 -15.15216 37.85512 
1 1 1   15   18   26 o  194.804   13.865  481.423   67.008  532.138  108.464  450.120   85.214  202.615   21.779  187.177   18.472 15.43854 28.55748 
1 1 1   15   18   27 o  437.396   20.931  2451.16  228.624  2547.63  329.540  2361.65  317.444  439.018   30.244  422.597   30.282 16.42056 42.79773 
1 1 1   15   18   28 o  169.909   14.270  367.504   59.985  370.562  103.321  365.950   73.673  167.223   25.553  168.670   17.758 -1.447388 31.11792 
1 1 1   15   18   29 o  345.278   18.513  1526.53  159.045  1485.40  233.551  1562.11  217.187  335.181   28.164  345.587   25.343 -10.40619 37.88800 
1 1 1   15   18   30 o  338.022   18.010  1463.97  151.475  1503.20  225.760  1431.84  204.283  337.252   27.034  330.464   24.938 6.788269 36.77980 
1 1 1   15   18   31 o  116.149   14.306  173.660   40.615  334.378   96.716  139.247   44.753  157.924   25.384  102.859   18.083 55.06499 31.16691 
1 1 1   15   18   32 o   74.170   17.161   73.228   31.154   96.304   92.835   70.299   33.071   89.061   32.331   72.558   18.265 16.50271 37.13341 
1 1 1   15   18   33 o  341.428   17.308  1503.90  147.084  1761.45  225.141  1312.13  194.273  363.421   24.959  313.408   25.032 50.01343 35.34913 
1 1 1   15   18   34 f  247.724   15.404  790.283   94.821  940.908  158.081  705.634  118.507  264.720   24.180  231.180   20.749 33.53957 31.86219 
1 1 1   15   18   35 o  152.404   14.807  301.028   55.642  453.123  121.161  260.378   62.637  179.954   27.863  140.282   18.318 39.67224 33.34468 
1 1 1   15   18   36 o   95.038   10.920  116.221   25.446  115.591   33.880  117.037   38.541   93.592   15.003   93.474   17.143 0.1179428 22.78111 
1 1 1   15   18   37 o  120.745   11.259  187.400   33.557  206.388   45.632  165.037   49.519  125.498   14.848  110.560   18.596 14.93829 23.79699 
1 1 1   15   18   38 o  133.332   11.383  228.739   37.537  232.792   50.458  223.716   56.173  132.887   15.496  129.131   17.901 3.756149 23.67698 
1 1 1   15   18   39 o  135.289   18.647  247.668   61.322   0.0000   0.0000  247.668   61.322  ?   ?   135.289   18.647 0.000000 18.64677 
1 1 1   15   19    0 o  279.716   12.360  986.389   86.338  936.851  102.874  1104.41  158.788  271.518   15.234  292.237   21.918 -20.71970 26.69238 
1 1 1   15   19    1 f  321.239   14.572  1305.41  116.896  1388.28  141.434  1126.76  207.658  330.008   17.222  291.766   28.880 38.24200 33.62561 
1 1 1   15   19    2 o  225.230   15.645  645.692   87.446  739.968  116.911  525.969  131.748  239.902   19.689  199.266   27.186 40.63628 33.56672 
1 1 1   15   19    3 o  665.664   25.095  5738.13  417.145  5950.47  509.948  5308.68  725.221  672.291   30.375  610.836   47.929 61.45551 56.74331 
1 1 1   15   19    4 o  243.098   12.682  746.701   76.723  792.145   91.697  640.629  140.092  249.891   14.760  220.953   25.880 28.93842 29.79345 
1 1 1   15   19    5 o  393.315   15.903  1959.22  156.199  1946.60  189.505  1985.97  275.859  390.691   19.424  388.999   28.599 1.691528 34.57117 
1 1 1   15   19    6 o  317.182   13.986  1269.84  110.782  1284.09  133.813  1238.78  197.505  317.735   16.926  308.308   25.893 9.426727 30.93444 
1 1 1   15   19    7 o  412.757   29.734  2240.28  304.427  2240.28  304.427   0.0000   0.0000  412.757   29.734  ?   ?  0.000000 29.73418 
1 1 1   15   19    8 o  315.450   14.074  1255.83  110.863  1303.59  134.010  1152.27  197.334  320.244   16.816  296.927   26.906 23.31668 31.72853 
1 1 1   15   19    9 o  342.078   14.390  1477.37  122.924  1487.70  148.956  1455.32  217.648  341.944   17.503  334.321   26.282 7.622772 31.57673 
1 1 1   15   19   10 o  292.608   12.612  1078.14   92.154  1016.84  110.877  1215.09  165.721  283.080   15.747  307.383   21.730 -24.30338 26.83577 
1 1 1   15   19   11 o  385.536   15.464  1879.57  148.883  1841.85  180.862  1958.85  262.225  379.934   19.124  387.631   27.263 -7.696960 33.30196 
1 1 1   15   19   12 o  168.533   11.570  358.816   48.399  378.553   56.799  306.499   92.475  172.820   13.262  152.310   25.194 20.50996 28.47174 
1 1 1   15   19   13 o  464.797   17.921  2743.58  208.001  2767.45  253.694  2694.61  363.308  464.915   21.852  451.085   32.470 13.83063 39.13812 
1 1 1   15   19   14 o  337.056   18.020  1446.96  151.127  1516.36  209.677  1371.93  218.019  342.156   24.706  324.140   27.186 18.01578 36.73499 
1 1 1   15   19   15 o  206.983   14.878  543.950   76.386  621.932  102.407  446.147  114.686  220.353   18.790  184.247   25.620 36.10548 31.77164 
1 1 1   15   19   16 o  363.365   14.347  1666.82  130.186  1579.68  157.921  1851.66  229.992  352.192   18.016  378.334   24.475 -26.14133 30.39090 
1 1 1   15   19   17 o  323.929   13.309  1322.69  107.655  1296.95  130.320  1378.00  191.027  319.582   16.385  326.566   23.583 -6.984528 28.71637 
1 1 1   15   19   18 f  190.297   21.676  469.166  101.167   0.0000   0.0000  469.166  101.167  ?   ?   190.297   21.676 0.000000 21.67587 
1 1 1   15   19   19 o  107.204   12.923  146.837   33.897  149.292   39.139  139.470   67.806  107.702   14.956  101.882   26.427 5.819756 30.36550 
1 1 1   15   19   20 o  219.496   11.244  607.277   61.421  603.916   73.769  614.871  110.898  218.414   13.593  218.495   20.567 -0.8094788E-01 24.65299 
1 1 1   15   19   21 o  198.565   12.045  498.001   59.443  567.743   71.732  345.126  106.202  211.732   13.639  160.995   27.398 50.73724 30.60484 
1 1 1   15   19   22 o  198.467   10.221  495.943   50.485  567.055   72.600  429.361   70.250  211.556   13.818  183.601   15.466 27.95506 20.74008 
1 1 1   15   19   23 o  444.035   20.828  2521.59  230.951  2677.40  331.317  2374.33  322.104  451.338   29.560  424.158   30.616 27.17957 42.55698 
1 1 1   15   19   24 o  189.550   15.606  457.755   73.213  259.136  111.456  608.503   97.100  137.333   32.926  218.063   17.992 -80.72948 37.52130 
1 1 1   15   19   25 o  334.275   14.830  1412.96  123.792  1513.12  220.855  1367.07  149.481  340.538   26.171  327.221   18.368 13.31696 31.97361 
1 1 1   15   19   26 o  265.290   10.892  884.935   72.159  901.985  104.018  869.117  100.187  266.387   15.706  261.560   15.407 4.827301 22.00112 
1 1 1   15   19   27 o  261.932   10.121  862.020   66.199  1006.06   96.865  735.793   90.679  282.228   13.744  240.605   15.170 41.62256 20.47011 
1 1 1   15   19   28 o  225.151   10.770  637.676   60.554  547.786   88.456  716.948   83.068  206.798   17.288  237.719   14.056 -30.92139 22.28066 
1 1 1   15   19   29 o  145.874   9.6049  268.512   34.793  289.981   54.036  253.309   45.473  150.636   14.546  141.029   13.060 9.607224 19.54876 
1 1 1   15   19   30 o  233.656   10.394  687.179   60.648  714.240   89.584  664.283   82.403  236.661   15.239  228.422   14.522 8.238403 21.05036 
1 1 1   15   19   31 o  142.616   9.4627  256.946   33.509  265.452   51.946  250.884   43.853  143.820   14.669  140.271   12.655 3.548737 19.37382 
1 1 1   15   19   32 o  144.155   9.2872  262.616   33.254  225.732   50.364  291.126   44.279  132.120   15.564  151.269   11.816 -19.14868 19.54057 
1 1 1   15   19   33 o  291.570   10.941  1074.91   79.662  1122.75  116.142  1032.40  109.472  295.608   15.791  283.570   15.518 12.03809 22.13950 
1 1 1   15   19   34 f  223.464   9.8615  630.766   55.030  652.128   80.300  611.849   75.564  225.354   14.344  218.431   13.926 6.922607 19.99189 
1 1 1   15   19   35 o  196.442   10.882  491.003   53.174  506.387   76.598  476.694   73.874  197.565   15.654  191.691   15.567 5.874161 22.07668 
1 1 1   15   19   36 o   88.259   10.547  100.241   22.785   85.323   30.572  118.882   34.174   79.860   15.889   94.953   14.903 -15.09328 21.78444 
1 1 1   15   19   37 o   96.443   10.871  119.856   25.725  115.274   34.678  125.462   38.361   93.132   15.452   96.886   16.444 -3.753540 22.56477 
1 1 1   15   19   38 o   95.030   17.341  122.087   39.635  124.811  122.001  121.765   41.908   94.295   36.456   94.472   18.426 -0.1763077 40.84807 
1 1 1   15   20    0 o  163.451   15.680  342.106   63.215  371.534   83.138  301.774   97.328  169.106   20.080  149.804   27.011 19.30244 33.65725 
1 1 1   15   20    1 f  446.693   17.102  2539.81  190.773  2419.47  231.180  2796.68  337.759  433.682   21.347  459.293   29.606 -25.61145 36.49958 
1 1 1   15   20    2 o  362.092   18.893  1679.18  170.245  1691.35  235.024  1665.73  246.943  359.185   26.387  355.350   28.057 3.835724 38.51582 
1 1 1   15   20    3 o  326.994   18.231  1367.15  148.274  1496.27  204.583  1224.28  215.201  339.095   24.322  304.167   28.670 34.92786 37.59706 
1 1 1   15   20    4 o  160.391   10.945  325.064   43.575  292.644   49.682  433.150   90.715  151.711   13.247  182.927   20.195 -31.21652 24.15228 
1 1 1   15   20    5 o  406.103   16.080  2091.60  163.069  2047.90  197.693  2184.64  288.449  400.249   19.779  407.464   28.528 -7.214630 34.71441 
1 1 1   15   20    6 o  108.536   12.731  150.482   33.850  165.605   38.111   93.959   73.679  113.739   13.693   86.511   28.972 27.22768 32.04504 
1 1 1   15   20    7 o  151.528   11.741  290.705   44.081  324.163   51.096  193.344   87.163  159.839   12.912  119.170   29.458 40.66926 32.16303 
1 1 1   15   20    8 o   80.406   23.786   84.837   51.110   84.837   51.110   0.0000   0.0000   80.406   23.786  ?   ?  0.000000 23.78626 
1 1 1   15   20    9 o   68.080   15.155   60.893   25.103   60.004   27.359   65.626   63.123   67.479   16.397   75.435   26.747 -7.955643 31.37270 
1 1 1   15   20   10 o  305.482   13.361  1177.05  101.921  1187.93  122.901  1153.08  182.390  305.774   16.153  297.814   24.749 7.960297 29.55370 
1 1 1   15   20   11 o  345.509   15.210  1510.07  131.234  1602.40  159.340  1315.38  231.387  354.544   18.057  315.590   29.710 38.95355 34.76717 
1 1 1   15   20   12 o  162.949   11.160  335.392   45.138  319.711   52.426  380.324   88.744  158.676   13.355  171.164   21.217 -12.48833 25.07028 
1 1 1   15   20   13 o  268.674   13.226  910.178   88.736  980.186  107.136  757.234  158.354  277.897   15.500  240.129   26.868 37.76747 31.01888 
1 1 1   15   20   14 o  172.568   14.486  378.759   61.849  427.495   80.201  307.249   97.150  182.593   17.816  151.917   26.576 30.67659 31.99572 
1 1 1   15   20   15 o  346.454   16.460  1521.50  142.409  1245.07  195.325  1835.19  208.073  309.238   25.522  377.609   22.163 -68.37122 33.80187 
1 1 1   15   20   16 o  344.595   14.650  1500.54  126.066  1486.28  152.794  1530.95  223.114  341.478   17.982  342.688   26.272 -1.209808 31.83661 
1 1 1   15   20   17 o  102.483   13.130  134.507   32.831  135.304   37.271  131.750   69.354  102.406   15.021   99.065   27.204 3.340538 31.07527 
1 1 1   15   20   18 o   65.466   15.945   56.417   25.825   53.454   28.352   70.859   62.585   63.842   17.336   77.069   26.683 -13.22688 31.82042 
1 1 1   15   20   19 f  382.966   15.845  1857.21  151.529  1940.73  184.480  1683.99  265.669  390.319   18.927  357.166   30.066 33.15262 35.52751 
1 1 1   15   20   20 o  128.002   12.241  208.144   38.651  244.271   45.215  110.113   74.482  138.574   13.227   91.949   29.015 46.62564 31.88781 
1 1 1   15   20   21 o  430.531   16.853  2351.68  181.189  2516.38  221.516  2018.72  314.955  443.924   19.982  389.325   32.698 54.59943 38.32074 
1 1 1   15   20   22 o  363.814   27.394  1731.92  247.048  1731.92  247.048   0.0000   0.0000  363.814   27.394  ?   ?  0.000000 27.39367 
1 1 1   15   20   23 o  190.004   21.797  468.627  101.549  468.627  101.549   0.0000   0.0000  190.004   21.797  ?   ?  0.000000 21.79686 
1 1 1   15   20   24 o  160.729   11.996  327.042   47.800  358.012   57.175  255.135   87.121  167.857   13.761  138.140   26.214 29.71753 29.60665 
1 1 1   15   20   25 o  334.343   12.134  1408.05  101.311  1466.54  144.559  1351.59  142.026  339.344   17.114  325.582   17.533 13.76254 24.50113 
1 1 1   15   20   26 o  299.349   11.413  1127.80   85.317  1174.92  122.421  1083.30  118.966  303.913   16.189  291.719   16.397 12.19434 23.04267 
1 1 1   15   20   27 o  209.907   9.5425  553.325   50.020  571.907   73.183  537.034   68.523  212.287   13.882  205.798   13.407 6.488922 19.29867 
1 1 1   15   20   28 o  223.112   10.358  625.993   57.708  578.213   84.293  668.143   79.170  212.819   15.978  229.449   13.883 -16.63010 21.16628 
1 1 1   15   20   29 o  105.738   9.8311  141.749   25.661  153.216   41.128  134.439   32.837  108.790   15.584  102.325   13.156 6.465195 20.39453 
1 1 1   15   20   30 o  251.702   10.441  797.755   65.627  844.744   96.332  757.061   89.648  257.427   15.051  243.740   14.799 13.68646 21.10760 
1 1 1   15   20   31 f   66.213   11.407   56.879   18.180   59.213   30.534   55.598   22.627   66.789   17.931   64.923   14.340 1.866318 22.95930 
1 1 1   15   20   32 o  195.435   9.6171  481.189   46.935  441.534   69.686  514.113   63.498  185.403   15.185  200.959   12.719 -15.55534 19.80751 
1 1 1   15   20   33 o  162.108   8.7809  331.830   35.414  337.446   52.462  327.128   48.000  162.396   13.047  160.153   12.091 2.242920 17.78801 
1 1 1   15   20   34 o   68.391   10.770   60.610   17.785   53.888   24.476   68.129   25.886   63.525   15.554   71.628   14.955 -8.102570 21.57735 
1 1 1   15   20   35 o  180.669   9.7728  414.146   43.928  413.777   62.902  414.498   61.372  179.031   14.186  179.339   13.810 -0.3083191 19.79798 
1 1 1   15   20   36 o  122.846   9.3523  192.059   28.474  181.566   39.504  203.405   41.080  118.171   13.637  125.258   13.338 -7.087799 19.07585 
1 1 1   15   20   37 o  200.292   10.731  512.187   53.478  506.337   74.347  518.458   76.979  196.964   15.234  199.109   15.607 -2.144791 21.80970 
1 1 1   15   20   38 o  176.863   18.381  418.653   79.995   0.0000   0.0000  418.653   79.995  ?   ?   176.863   18.381 0.000000 18.38091 
1 1 1   15   21    0 o  573.447   27.305  4328.97  391.009  4307.05  549.258  4351.49  556.759  555.071   39.892  557.375   40.272 -2.303833 56.68494 
1 1 1   15   21    1 o  123.544   17.209  198.067   51.649  194.823   64.295  203.971   86.726  121.123   22.070  121.963   28.915 -0.8402863 36.37542 
1 1 1   15   21    2 o  105.814   18.318  146.864   46.651  137.728   58.444  162.906   77.447  101.172   23.570  109.218   28.201 -8.046196 36.75395 
1 1 1   15   21    3 o  217.613   14.963  602.969   80.818  601.465  105.754  605.080  125.305  215.772   19.850  214.905   23.746 0.8668671 30.94957 
1 1 1   15   21    4 o  135.180   12.301  232.299   41.070  213.823   46.567  296.985   87.131  129.140   14.702  149.682   24.131 -20.54272 28.25711 
1 1 1   15   21    5 o  464.432   17.711  2748.32  205.406  2675.71  249.476  2901.14  361.931  455.833   21.917  466.543   31.246 -10.71011 38.16640 
1 1 1   15   21    6 o  150.632   12.294  287.895   45.840  349.570   53.176  109.495   90.440  165.949   12.934   93.476   32.092 72.47321 34.60068 
1 1 1   15   21    7 o  225.343   11.752  641.246   65.903  641.628   77.612  640.259  124.778  224.912   13.887  221.765   22.859 3.146896 26.74668 
1 1 1   15   21    8 o  239.846   13.047  727.941   77.848  814.974   93.018  524.462  142.228  253.358   14.766  197.771   29.718 55.58684 33.18404 
1 1 1   15   21    9 o  126.254   21.591  209.945   65.626  209.945   65.626   0.0000   0.0000  126.254   21.591  ?   ?  0.000000 21.59111 
1 1 1   15   21   10 o  246.486   12.308  765.562   75.757  779.631   90.267  732.048  139.322  247.855   14.649  237.001   23.865 10.85432 28.00291 
1 1 1   15   21   11 o  352.559   15.440  1574.24  135.937  1728.62  165.121  1249.57  239.465  368.529   17.942  305.825   31.822 62.70407 36.53168 
1 1 1   15   21   12 o  188.892   11.528  450.667   54.115  452.799   63.479  444.997  103.522  188.931   13.545  184.625   22.949 4.306259 26.64793 
1 1 1   15   21   13 o  170.587   11.532  367.841   48.837  364.183   56.862  378.126   95.352  169.337   13.560  169.961   23.062 -0.6236420 26.75319 
1 1 1   15   21   14 o  194.183   10.802  475.490   52.173  417.254   60.686  640.479  102.145  181.347   13.497  223.529   18.465 -42.18195 22.87181 
1 1 1   15   21   15 o  294.245   15.843  1100.06  115.984  995.633  157.332  1224.37  171.653  277.257   22.930  307.841   22.485 -30.58392 32.11451 
1 1 1   15   21   16 o  273.311   13.170  942.211   89.884  977.795  108.282  863.357  161.191  277.413   15.695  256.990   25.452 20.42334 29.90213 
1 1 1   15   21   17 o  149.365   24.315  294.805   87.573   0.0000   0.0000  294.805   87.573  ?   ?   149.365   24.315 0.000000 24.31511 
1 1 1   15   21   18 o   51.114   16.861   31.732   24.981   31.732   24.981   0.0000   0.0000   51.114   16.861  ?   ?  0.000000 16.86113 
1 1 1   15   21   19 o   48.406   16.101   28.187   22.762   27.676   24.486   31.433   61.749   48.730   16.700   64.680   25.657 -15.95037 30.61329 
1 1 1   15   21   20 o  171.128   11.407  370.036   48.467  369.406   56.833  371.714   92.802  170.589   13.450  168.674   22.601 1.915176 26.30018 
1 1 1   15   21   21 o  323.811   14.565  1325.55  117.775  1520.82  143.610  924.440  205.822  346.202   16.611  262.698   32.039 83.50372 36.08908 
1 1 1   15   21   22 o  401.978   29.400  2130.44  293.072  2130.44  293.072   0.0000   0.0000  401.978   29.400  ?   ?  0.000000 29.39975 
1 1 1   15   21   23 o  382.297   28.383  1921.84  269.025  1921.84  269.025   0.0000   0.0000  382.297   28.383  ?   ?  0.000000 28.38264 
1 1 1   15   21   24 o   95.858   13.179  118.042   30.712  105.278   35.155  159.187   63.118   89.776   16.280  109.055   23.842 -19.27870 28.87003 
1 1 1   15   21   25 o  175.776   11.576  390.634   50.530  434.005   60.975  295.558   90.280  184.965   13.290  149.151   25.133 35.81490 28.42998 
1 1 1   15   21   26 o   60.855   17.571   48.199   28.193   52.906   32.084   32.248   59.062   63.833   18.836   63.828   25.164 0.4531860E-02 31.43272 
1 1 1   15   21   27 o  110.097   13.093  155.144   35.290  167.244   41.405  123.011   67.473  113.975   14.905   95.588   27.050 18.38735 30.88429 
1 1 1   15   21   28 o  189.211   11.454  452.712   53.866  501.418   66.184  357.144   92.707  198.713   13.416  164.632   23.193 34.08191 26.79378 
1 1 1   15   21   29 o  201.581   9.5074  510.808   47.859  565.650   71.149  465.489   64.678  210.971   13.577  191.290   13.629 19.68124 19.23763 
1 1 1   15   21   30 o  255.394   10.468  821.731   66.760  840.016   97.567  805.632   91.546  256.495   15.302  251.407   14.645 5.088181 21.18120 
1 1 1   15   21   31 o   78.132   10.342   78.265   19.682   90.812   32.799   71.204   24.605   82.902   16.424   73.722   13.874 9.179756 21.49990 
1 1 1   15   21   32 o  112.340   9.3281  160.035   25.932  138.771   40.057  175.375   34.023  102.938   16.111  117.122   11.793 -14.18330 19.96643 
1 1 1   15   21   33 o  138.096   8.7292  241.117   29.948  257.384   44.540  227.695   40.459  141.734   12.720  133.361   12.287 8.373016 17.68504 
1 1 1   15   21   34 o   61.999   11.340   50.245   16.910   48.556   23.756   51.979   24.077   60.305   15.642   62.367   15.521 -2.061405 22.03613 
1 1 1   15   21   35 o   47.007   11.835   29.228   13.883   31.017   18.585   26.968   20.881   48.673   14.328   46.608   15.417 2.064312 21.04747 
1 1 1   15   21   36 o   64.465   14.677   55.691   23.098   51.940   23.880  110.171   91.014   62.129   15.455   89.371   32.071 -27.24197 35.60042 
1 1 1   15   21   37 o  179.628   15.795  423.324   70.132  425.237   78.994  416.204  152.392  178.814   17.932  160.436   38.523 18.37772 42.49236 
1 1 1   15   22    0 o  398.109   20.521  2048.48  203.315  2054.01  282.040  2042.50  293.357  392.111   29.010  389.792   30.378 2.318512 42.00445 
1 1 1   15   22    1 o  343.069   18.679  1512.56  159.420  1535.74  220.095  1486.98  231.225  341.202   26.028  334.363   27.949 6.838898 38.19151 
1 1 1   15   22    2 o   60.458   21.266   42.188   39.829   63.460   47.543  -7.8793   72.940   70.957   23.254   59.619   26.006 11.33757 34.88660 
1 1 1   15   22    3 o  339.457   18.567  1478.84  156.795  1544.77  217.337  1407.27  226.426  342.876   25.567  325.488   28.134 17.38736 38.01567 
1 1 1   15   22    4 o  167.979   14.625  360.251   60.735  348.750   76.149  380.358  100.683  164.043   18.937  169.434   24.508 -5.390915 30.97185 
1 1 1   15   22    5 o   95.652   13.786  118.029   31.979  129.885   35.261   63.079   75.911  100.270   14.504   77.462   29.037 22.80816 32.45726 
1 1 1   15   22    6 o  218.035   12.104  601.320   65.646  594.712   76.960  618.972  125.775  216.273   14.331  217.438   23.539 -1.165634 27.55882 
1 1 1   15   22    7 o   60.802   15.916   48.655   24.448   41.043   26.231   99.004   67.460   56.550   17.112   87.106   27.627 -30.55590 32.49738 
1 1 1   15   22    8 o  320.605   14.516  1301.33  116.220  1376.98  140.095  1134.36  208.135  328.484   17.138  292.249   28.898 36.23471 33.59785 
1 1 1   15   22    9 o  270.217   13.365  922.331   90.182  993.039  107.836  757.825  164.481  279.415   15.516  238.891   28.110 40.52347 32.10744 
1 1 1   15   22   10 o  269.051   22.754  939.953  151.443  939.953  151.443   0.0000   0.0000  269.051   22.754  ?   ?  0.000000 22.75385 
1 1 1   15   22   11 o   88.140   12.867  100.016   27.485   86.236   29.917  174.573   69.591   81.221   15.312  113.900   25.140 -32.67865 29.43574 
1 1 1   15   22   12 o  183.286   11.521  424.598   52.465  417.345   61.016  445.172  102.764  181.281   13.577  184.564   22.780 -3.283463 26.51923 
1 1 1   15   22   13 o  137.629   11.485  240.075   39.113  245.289   44.353  221.839   82.948  138.851   12.941  128.281   26.760 10.57034 29.72432 
1 1 1   15   22   14 o  281.295   13.077  998.497   91.860  1034.77  110.283  916.313  166.010  285.338   15.536  264.550   25.443 20.78790 29.81114 
1 1 1   15   22   15 o  190.722   11.727  459.723   55.580  464.476   65.125  446.978  106.642  191.286   13.725  184.686   23.668 6.599731 27.35923 
1 1 1   15   22   16 o  407.300   30.203  2197.51  305.010   0.0000   0.0000  2197.51  305.010  ?   ?   407.300   30.203 0.000000 30.20332 
1 1 1   15   22   17 o  279.433   13.893  986.473   96.947  1082.69  116.586  770.832  174.535  291.749   16.064  240.542   29.686 51.20764 33.75407 
1 1 1   15   22   18 o  243.701   11.583  747.617   70.488  694.648   83.073  883.796  133.200  233.996   14.285  261.961   20.526 -27.96544 25.00767 
1 1 1   15   22   19 o  176.587   11.294  393.943   49.544  364.905   57.273  480.270   98.751  169.463   13.650  192.544   20.872 -23.08139 24.93934 
1 1 1   15   22   20 o  193.333   11.073  471.695   53.237  444.849   62.036  546.714  103.704  187.276   13.352  205.700   20.460 -18.42337 24.43177 
1 1 1   15   22   21 o  250.837   13.247  796.209   82.684  942.589   99.833  476.481  147.545  272.567   14.722  187.043   32.784 85.52415 35.93755 
1 1 1   15   22   22 o  315.705   25.028  1299.75  195.699  1299.75  195.699   0.0000   0.0000  315.705   25.028  ?   ?  0.000000 25.02824 
1 1 1   15   22   23 o  440.628   31.656  2586.88  345.999  2586.88  345.999   0.0000   0.0000  440.628   31.656  ?   ?  0.000000 31.65599 
1 1 1   15   22   24 o  113.692   12.858  165.099   35.863  194.986   41.322   73.865   72.196  123.516   13.623   79.893   28.575 43.62325 31.65605 
1 1 1   15   22   25 o  149.578   11.930  283.673   44.192  318.204   52.610  200.915   81.446  158.164   13.448  121.691   27.455 36.47356 30.57138 
1 1 1   15   22   26 o  135.029   11.957  231.575   39.901  237.373   46.518  215.432   77.618  136.334   13.856  126.613   25.432 9.720741 28.96181 
1 1 1   15   22   27 o   84.361   15.119   92.889   30.681  101.718   35.305   65.648   62.017   88.030   16.671   74.871   26.515 13.15870 31.32011 
1 1 1   15   22   28 o  452.771   17.502  2617.61  197.889  2659.79  242.431  2533.38  342.563  453.933   21.387  433.553   31.864 20.38013 38.37601 
1 1 1   15   22   29 o  198.917   10.950  500.224   54.181  545.363   67.060  415.363   91.948  207.206   13.026  178.165   21.075 29.04117 24.77579 
1 1 1   15   22   30 o   65.580   15.161   56.900   24.332   54.213   30.814   61.351   39.655   64.138   18.325   68.597   21.096 -4.459206 27.94422 
1 1 1   15   22   31 o  332.575   17.255  1424.25  142.813  1367.55  201.430  1481.55  202.510  320.294   25.392  334.211   24.434 -13.91724 35.23894 
1 1 1   15   22   32 o  111.789   12.429  160.474   34.109  158.508   45.659  162.956   51.309  109.740   17.229  110.633   19.272 -0.8935089 25.85074 
1 1 1   15   22   33 o  192.057   11.321  469.193   54.055  474.907   66.589  458.149   92.567  192.316   13.961  186.093   20.246 6.222488 24.59258 
1 1 1   15   22   34 o  114.031   9.3119  165.304   26.285  149.255   37.639  180.581   36.723  106.953   14.464  118.373   12.618 -11.41968 19.19386 
1 1 1   15   22   35 o   89.876   10.053  103.602   22.176   96.319   30.933  111.303   31.809   85.239   15.084   92.024   14.307 -6.784576 20.78974 
1 1 1   15   22   36 o   34.264   10.867   14.733   10.437   18.600   13.560   9.1131   16.349   38.534   12.404   33.868   13.275 4.665516 18.16793 
1 1 1   15   22   37 o  127.844   15.203  215.169   47.583   0.0000   0.0000  215.169   47.583  ?   ?   127.844   15.203 0.000000 15.20283 
1 1 1   15   23    0 o  237.355   21.809  736.683  127.822  736.683  127.822   0.0000   0.0000  237.355   21.809  ?   ?  0.000000 21.80934 
1 1 1   15   23    1 o  234.867   16.295  706.749   94.978  758.755  126.892  640.494  143.225  241.281   21.278  218.876   26.762 22.40558 34.18967 
1 1 1   15   23    2 o  321.909   18.044  1331.04  144.463  1337.35  197.904  1323.85  211.363  318.592   25.078  315.619   27.079 2.972473 36.90816 
1 1 1   15   23    3 o  137.947   16.772  246.078   56.586  316.763   71.763  129.883   92.009  156.134   18.783   98.841   32.347 57.29272 37.40516 
1 1 1   15   23    4 o  162.849   15.836  340.401   63.586  382.921   82.644  278.711   99.546  171.616   19.638  142.743   28.917 28.87296 34.95513 
1 1 1   15   23    5 o  253.786   24.655  847.230  154.278   0.0000   0.0000  847.230  154.278  ?   ?   253.786   24.655 0.000000 24.65475 
1 1 1   15   23    6 o  284.515   13.224  1023.62   93.957  1034.75  111.855  996.951  173.163  284.885   15.785  275.113   25.495 9.772064 29.98598 
1 1 1   15   23    7 o  216.866   11.613  594.541   62.662  589.381   72.976  609.023  122.261  215.419   13.636  215.701   23.055 -0.2818604 26.78575 
1 1 1   15   23    8 o  157.846   11.638  315.716   45.551  305.306   51.802  351.205   95.648  154.806   13.536  162.816   24.266 -8.009521 27.78638 
1 1 1   15   23    9 o  337.178   14.717  1440.87  123.915  1483.98  149.124  1344.70  222.732  340.683   17.589  318.385   28.310 22.29834 33.32859 
1 1 1   15   23   10 o  146.082   12.102  270.907   43.748  294.962   49.060  177.514   96.667  152.279   13.027  113.552   32.462 38.72765 34.97861 
1 1 1   15   23   11 o  471.574   33.582  2999.75  392.885  2999.75  392.885   0.0000   0.0000  471.574   33.582  ?   ?  0.000000 33.58237 
1 1 1   15   23   12 o  151.255   11.836  290.038   44.351  315.457   50.454  203.635   93.021  157.559   12.938  121.667   30.636 35.89184 33.25544 
1 1 1   15   23   13 o  257.047   11.611  832.345   74.529  765.705   87.693  1005.69  141.434  245.566   14.363  279.295   20.420 -33.72876 24.96549 
1 1 1   15   23   14 o  155.626   11.524  306.658   44.469  314.036   50.759  282.305   92.223  157.193   13.049  145.105   26.424 12.08795 29.47075 
1 1 1   15   23   15 o  198.471   11.997  498.187   59.181  508.896   69.358  469.519  113.484  200.152   13.964  188.824   24.656 11.32822 28.33579 
1 1 1   15   23   16 o  254.094   13.276  817.445   83.944  861.458  100.062  712.873  154.235  260.228   15.468  232.158   27.115 28.07048 31.21645 
1 1 1   15   23   17 o  186.453   14.603  442.588   67.452  451.895   85.584  427.330  109.587  187.333   18.538  179.892   25.077 7.441559 31.18496 
1 1 1   15   23   18 o  226.925   11.215  648.143   63.555  580.052   73.889  841.785  124.604  213.779   13.917  255.807   19.656 -42.02754 24.08420 
1 1 1   15   23   19 o  256.654   13.102  833.590   83.692  870.983   99.595  743.729  154.392  261.734   15.305  237.523   26.480 24.21074 30.58497 
1 1 1   15   23   20 o  249.783   11.624  785.762   72.505  744.818   85.599  889.737  136.408  242.275   14.211  262.497   20.985 -20.22206 25.34402 
1 1 1   15   23   21 o  272.625   12.577  937.462   85.621  955.627  102.243  894.815  156.659  274.284   14.984  261.806   24.237 12.47726 28.49488 
1 1 1   15   23   22 o  133.217   13.135  226.161   43.127  226.161   43.127   0.0000   0.0000  133.217   13.135  ?   ?  0.000000 13.13493 
1 1 1   15   23   23 o  350.174   26.684  1610.55  231.583  1610.55  231.583   0.0000   0.0000  350.174   26.684  ?   ?  0.000000 26.68426 
1 1 1   15   23   24 o  147.030   11.579  273.974   42.171  271.671   48.602  280.992   84.832  146.025   13.481  145.481   24.201 0.5438843 27.70223 
1 1 1   15   23   25 o  390.413   15.798  1935.59  154.023  2146.32  187.594  1499.69  269.807  409.930   18.326  333.245   32.849 76.68488 37.61517 
1 1 1   15   23   26 o  154.937   11.658  304.272   44.775  313.786   51.935  276.726   88.370  156.989   13.375  143.715   25.560 13.27440 28.84834 
1 1 1   15   23   27 o   78.506   15.964   81.124   30.229   91.838   34.233   43.194   64.414   83.430   17.008   68.533   26.492 14.89709 31.48152 
1 1 1   15   23   28 o  196.951   11.830  491.377   57.913  554.151   69.652  350.774  104.242  208.775   13.431  161.301   26.821 47.47408 29.99624 
1 1 1   15   23   29 o  149.942   13.528  287.297   50.106  292.371   66.763  280.754   75.819  149.914   18.208  145.743   21.476 4.170654 28.15567 
1 1 1   15   23   30 o  134.888   12.782  232.617   42.540  214.487   57.993  253.734   62.589  127.768   18.733  139.257   18.453 -11.48911 26.29494 
1 1 1   15   23   31 o  331.115   13.542  1394.90  111.975  1466.39  138.218  1258.37  191.002  338.043   16.374  306.750   25.156 31.29276 30.01524 
1 1 1   15   23   32 o  246.847   11.694  772.741   72.083  764.635   89.348  787.852  121.993  244.037   14.731  244.860   20.129 -0.8229828 24.94350 
1 1 1   15   23   33 o  204.778   10.786  532.757   54.963  533.966   67.479  530.374   94.744  204.099   13.312  200.684   19.137 3.414719 23.31227 
1 1 1   15   23   34 o   28.285   10.962   6.5526   11.051   6.4178   11.334   9.1543   49.784   28.435   11.078   52.469   22.151 -24.03344 24.76675 
1 1 1   15   23   35 o  153.097   11.709  300.611   44.425  325.036   50.979  223.508   90.574  158.762   12.972  123.326   29.753 35.43597 32.45774 
1 1 1   15   23   36 o   85.965   12.378   96.485   25.806   92.394   26.848  146.120   93.513   83.824   13.268   98.827   32.624 -15.00362 35.21864 
1 1 1   15   24    0 o   80.952   21.414   88.247   43.957   57.694   50.590  182.387   88.802   69.049   23.985  114.083   30.558 -45.03391 38.84669 
1 1 1   15   24    1 o   93.389   23.345  118.377   54.295  118.377   54.295   0.0000   0.0000   93.389   23.345  ?   ?  0.000000 23.34503 
1 1 1   15   24    2 o  256.069   16.325  840.482  103.848  804.004  137.673  888.635  158.178  247.570   22.515  259.097   24.748 -11.52762 33.45763 
1 1 1   15   24    3 o  108.006   18.505  153.632   48.114  132.353   57.819  201.545   86.760   98.795   23.733  120.630   29.131 -21.83465 37.57442 
1 1 1   15   24    4 o   65.457   21.129   54.310   39.326   44.342   45.927   81.704   76.137   63.024   22.761   82.454   29.360 -19.42995 37.14929 
1 1 1   15   24    5 o  248.269   15.877  787.987   97.917  738.994  130.623  850.831  147.939  237.734   22.262  254.563   23.539 -16.82957 32.39856 
1 1 1   15   24    6 o  314.310   26.681  1309.35  207.436   0.0000   0.0000  1309.35  207.436  ?   ?   314.310   26.681 0.000000 26.68069 
1 1 1   15   24    7 o  174.997   11.846  388.168   51.464  402.862   58.767  339.827  106.593  177.947   13.322  158.364   27.977 19.58350 30.98676 
1 1 1   15   24    8 o   91.435   13.493  107.983   29.883  102.839   32.221  139.614   79.899   88.836   15.063  101.245   29.681 -12.40979 33.28406 
1 1 1   15   24    9 o  405.019   16.687  2090.18  168.778  2172.85  204.237  1912.14  299.725  411.218   19.889  376.163   32.219 35.05536 37.86308 
1 1 1   15   24   10 o  177.340   11.608  398.156   51.122  389.768   58.311  426.020  106.282  175.044   13.442  179.485   24.341 -4.440811 27.80579 
1 1 1   15   24   11 o  199.680   13.797  506.911   68.375  506.911   68.375   0.0000   0.0000  199.680   13.797  ?   ?  0.000000 13.79699 
1 1 1   15   24   12 o  161.590   16.486  335.505   65.592  438.768   84.063  174.783  104.875  184.387   18.506  112.750   34.238 71.63741 38.91940 
1 1 1   15   24   13 o  137.163   11.437  238.646   38.818  227.701   43.091  285.775   89.415  133.631   13.081  146.189   25.416 -12.55812 28.58440 
1 1 1   15   24   14 o   97.778   12.401  122.502   29.600  111.756   32.014  185.800   77.700   92.931   14.250  116.875   27.142 -23.94402 30.65558 
1 1 1   15   24   15 o   66.665   15.404   58.596   25.130   49.024   26.713  132.224   74.086   61.133   16.923   98.886   28.464 -37.75290 33.11467 
1 1 1   15   24   16 o  162.888   13.604  337.695   54.831  337.695   54.831   0.0000   0.0000  162.888   13.604  ?   ?  0.000000 13.60442 
1 1 1   15   24   17 o   80.333   16.654   85.001   32.312   71.072   35.805  146.118   75.002   73.214   19.307  103.662   28.217 -30.44756 34.19038 
1 1 1   15   24   18 o  173.448   11.228  380.369   48.371  345.553   54.841  502.354  102.652  164.829   13.441  196.569   21.251 -31.73991 25.14430 
1 1 1   15   24   19 o  306.853   13.474  1190.07  103.247  1185.28  123.277  1201.32  188.957  304.991   16.245  302.838   25.215 2.152618 29.99514 
1 1 1   15   24   20 o  191.071   11.635  461.667   55.252  470.073   63.594  435.782  111.594  192.437   13.315  181.412   25.324 11.02501 28.61111 
1 1 1   15   24   21 o  229.446   11.979  665.498   68.399  661.039   80.193  677.401  131.026  228.123   14.147  227.667   23.379 0.4567566 27.32576 
1 1 1   15   24   22 o  107.065   12.348  146.475   32.408  142.575   35.550  165.656   78.839  105.298   13.856  110.123   28.462 -4.824997 31.65605 
1 1 1   15   24   23 o  185.415   20.948  447.367   95.292  447.367   95.292   0.0000   0.0000  185.415   20.948  ?   ?  0.000000 20.94802 
1 1 1   15   24   24 o  104.811   12.572  140.611   32.249  127.731   35.780  196.387   74.457   99.324   14.884  120.600   25.519 -21.27630 29.54259 
1 1 1   15   24   25 o  205.939   11.948  536.783   61.179  581.665   71.665  416.179  117.475  214.019   13.478  175.975   27.644 38.04382 30.75471 
1 1 1   15   24   26 o  131.427   12.199  219.907   39.582  228.632   45.041  190.315   82.948  133.706   13.682  117.679   28.524 16.02716 31.63563 
1 1 1   15   24   27 o  167.599   11.744  356.260   48.840  398.120   57.053  241.449   94.486  176.916   13.005  132.291   29.367 44.62512 32.11825 
1 1 1   15   24   28 o  236.342   12.233  708.145   71.951  775.361   86.811  560.648  128.596  246.713   14.150  204.888   25.699 41.82507 29.33724 
1 1 1   15   24   29 o  169.613   13.754  367.760   57.753  385.328   77.043  345.226   87.256  172.183   18.194  161.320   22.252 10.86247 28.74335 
1 1 1   15   24   30 o   87.183   12.560   98.298   26.556   98.294   31.826   98.307   48.183   86.510   15.291   85.054   22.382 1.455948 27.10688 
1 1 1   15   24   31 o  223.371   11.040  631.447   61.580  629.092   76.137  635.903  104.712  221.712   13.820  220.451   19.213 1.261566 23.66749 
1 1 1   15   24   32 f  351.759   13.980  1582.14  122.804  1666.76  151.152  1417.82  210.634  359.134   16.854  322.631   26.375 36.50327 31.29993 
1 1 1   15   24   33 o   69.919   11.927   63.859   20.078   51.731   23.352   98.234   39.315   62.196   15.171   85.096   18.984 -22.90025 24.30083 
1 1 1   15   24   34 o   51.726   13.348   35.581   17.358   37.405   18.544   22.678   49.324   53.001   13.855   55.920   22.672 -2.919323 26.57094 
1 1 1   15   24   35 o   86.210   24.347  105.175   54.720  105.175   54.720   0.0000   0.0000   86.210   24.347  ?   ?  0.000000 24.34717 
1 1 1   15   25    0 o  294.089   18.290  1119.68  133.659  1229.62  178.875  980.702  201.118  304.647   23.699  266.718   30.760 37.92856 38.83061 
1 1 1   15   25    1 o   52.460   20.440   23.455   38.582   23.360   42.958   23.851   87.747   54.299   21.444   70.723   29.607 -16.42387 36.55727 
1 1 1   15   25    2 o  188.279   20.631  464.885   95.411  464.885   95.411   0.0000   0.0000  188.279   20.631  ?   ?  0.000000 20.63078 
1 1 1   15   25    3 o  161.253   16.225  335.459   64.447  329.081   79.450  347.729  110.201  158.174   20.603  159.078   28.802 -0.9039612 35.41241 
1 1 1   15   25    4 o  305.142   17.553  1197.63  133.189  1153.65  178.964  1252.22  199.407  295.444   24.478  306.594   26.300 -11.15009 35.92805 
1 1 1   15   25    5 o  116.837   18.159  179.001   51.261  209.127   62.488  117.014   89.635  125.688   20.625   94.523   31.954 31.16545 38.03220 
1 1 1   15   25    6 o   57.121   20.713   35.687   38.087   49.297   43.803  -6.4862   77.107   64.312   22.320   61.345   26.750 2.966446 34.83841 
1 1 1   15   25    7 o   88.607   30.340   99.975   80.821   0.0000   0.0000   99.975   80.821  ?   ?    88.607   30.340 0.000000 30.34050 
1 1 1   15   25    8 f  137.096   16.742  243.237   56.125  252.780   69.952  225.995   94.031  138.511   20.872  127.684   30.000 10.82743 36.54589 
1 1 1   15   25    9 o  271.097   13.669  933.385   92.238  1009.03  109.401  747.405  171.535  281.171   15.643  235.057   29.900 46.11438 33.74498 
1 1 1   15   25   10 o   74.143   14.944   72.227   26.712   66.368   28.360  118.301   79.532   70.804   16.367   94.267   30.008 -23.46216 34.18128 
1 1 1   15   25   11 o  206.923   12.374  542.710   63.644  592.244   73.922  400.799  125.120  215.812   13.789  171.186   30.382 44.62514 33.36427 
1 1 1   15   25   12 o   57.338   21.747   31.440   42.865   31.440   42.865   0.0000   0.0000   57.338   21.747  ?   ?  0.000000 21.74723 
1 1 1   15   25   13 o  285.477   13.753  1031.86   98.044  1121.63  116.802  817.747  180.390  296.573   15.829  246.416   29.930 50.15758 33.85743 
1 1 1   15   25   14 o  179.341   25.789  428.374  112.174   0.0000   0.0000  428.374  112.174  ?   ?   179.341   25.789 0.000000 25.78920 
1 1 1   15   25   15 o   67.285   16.221   59.866   26.936   59.866   26.936   0.0000   0.0000   67.285   16.221  ?   ?  0.000000 16.22088 
1 1 1   15   25   16 o  182.232   11.621  420.333   52.607  426.781   59.938  398.707  109.774  183.276   13.184  172.776   26.270 10.49991 29.39317 
1 1 1   15   25   17 f  167.914   11.327  356.859   47.219  332.588   53.246  446.237  102.179  161.655   13.308  184.447   22.661 -22.79178 26.27952 
1 1 1   15   25   18 o  201.074   13.875  514.119   69.243  426.049   86.129  675.071  116.435  181.368   19.314  228.206   20.656 -46.83748 28.27862 
1 1 1   15   25   19 o  127.367   11.500  206.089   36.184  176.379   39.379  367.200   91.701  117.302   13.702  167.132   22.547 -49.83007 26.38391 
1 1 1   15   25   20 o   74.194   15.117   72.306   27.058   86.505   28.740 -38.4547   80.272   81.414   14.676   57.336   25.985 24.07852 29.84346 
1 1 1   15   25   21 o  162.107   11.362  332.750   45.705  323.162   51.137  370.826  101.904  159.406   12.959  166.930   25.233 -7.523239 28.36627 
1 1 1   15   25   22 o  525.326   19.023  3536.71  249.547  3537.98  303.286  3534.07  439.096  522.104   23.262  509.187   34.740 12.91650 41.80906 
1 1 1   15   25   23 o  135.782   21.308  243.034   69.872  243.034   69.872   0.0000   0.0000  135.782   21.308  ?   ?  0.000000 21.30829 
1 1 1   15   25   24 o   35.055   14.599   3.5991   21.177   2.4495   22.267   14.482   68.514   35.391   14.871   62.561   26.174 -27.17068 30.10331 
1 1 1   15   25   25 o  124.929   12.240  198.982   37.695  187.483   41.506  253.121   90.062  120.837   14.015  136.307   27.409 -15.47012 30.78444 
1 1 1   15   25   26 o  122.098   12.491  190.412   37.550  210.133   41.716  106.223   86.192  128.159   13.225   91.153   31.328 37.00621 34.00465 
1 1 1   15   25   27 f   87.504   14.330   99.705   30.228  101.082   33.345   93.355   71.603   87.769   15.795   85.101   28.561 2.668648 32.63709 
1 1 1   15   25   28 o  188.244   11.381  449.380   53.247  478.062   62.480  373.273  101.778  193.735   12.990  166.459   25.280 27.27534 28.42178 
1 1 1   15   25   29 o   56.253   17.705   40.491   27.747   36.088   31.841   54.385   56.566   55.078   19.035   69.108   25.214 -14.03033 31.59238 
1 1 1   15   25   30 o  119.876   11.024  183.308   32.632  202.051   38.454  135.093   61.678  125.558   12.428   98.811   24.982 26.74731 27.90249 
1 1 1   15   25   31 f  220.983   10.899  618.517   60.142  633.343   73.733  589.043  103.960  222.461   13.334  211.367   19.931 11.09410 23.98044 
1 1 1   15   25   32 o  168.899   10.128  362.298   42.521  389.325   52.484  310.673   72.536  174.484   12.121  152.900   19.437 21.58344 22.90624 
1 1 1   15   25   33 o   94.141   21.017  121.892   48.156  121.892   48.156   0.0000   0.0000   94.141   21.017  ?   ?  0.000000 21.01651 
1 1 1   15   25   34 o   36.861   11.621   17.160   11.949   17.160   11.949   0.0000   0.0000   36.861   11.621  ?   ?  0.000000 11.62054 
1 1 1   15   25   35 o   54.604   24.257  -9.9563   66.207   0.0000   0.0000  -9.9563   66.207  ?   ?    54.604   24.257 0.000000 24.25726 
1 1 1   15   26    0 o   47.013   19.537   8.9437   37.806  -1.8892   41.346   64.208   93.387   45.746   19.768   80.448   31.666 -34.70242 37.33007 
1 1 1   15   26    1 o  147.485   17.886  284.469   64.526  383.522   78.815   83.102  112.374  171.185   18.743   88.722   34.796 82.46339 39.52290 
1 1 1   15   26    2 o   80.228   21.469   87.079   43.859   75.962   49.847  125.185   92.290   75.776   23.710   96.306   32.424 -20.52951 40.16877 
1 1 1   15   26    3 o  224.338   21.276  661.561  117.766  661.561  117.766   0.0000   0.0000  224.338   21.276  ?   ?  0.000000 21.27618 
1 1 1   15   26    4 o  170.344   16.817  375.434   70.601  451.710   88.173  239.167  117.853  186.031   19.259  128.535   35.530 57.49591 40.41449 
1 1 1   15   26    5 o  237.724   16.695  727.223   98.477  779.742  129.102  654.145  152.289  243.917   21.412  219.335   28.476 24.58217 35.62804 
1 1 1   15   26    6 o  222.303   16.406  635.291   90.433  703.170  118.481  540.557  139.971  232.041   20.663  199.000   29.021 33.04070 35.62537 
1 1 1   15   26    7 o  143.632   16.563  267.056   58.319  272.544   71.468  256.120  100.893  143.820   20.478  135.392   30.565 8.428589 36.79104 
1 1 1   15   26    8 o  165.294   27.502  371.160  109.530   0.0000   0.0000  371.160  109.530  ?   ?   165.294   27.502 0.000000 27.50155 
1 1 1   15   26    9 o  204.847   16.037  538.423   81.383  582.980  106.397  475.594  126.343  211.500   20.398  187.473   27.832 24.02728 34.50682 
1 1 1   15   26   10 o  136.084   11.414  235.322   38.429  212.142   41.865  359.405   96.863  128.770   13.206  164.135   24.373 -35.36502 27.72042 
1 1 1   15   26   11 o  102.640   12.891  135.329   32.312  121.610   34.643  227.118   89.608   96.773   14.806  128.367   28.677 -31.59389 32.27378 
1 1 1   15   26   12 o   62.331   16.082   51.368   25.199   48.631   26.564   75.962   79.628   60.798   16.891   81.521   29.890 -20.72231 34.33226 
1 1 1   15   26   14 o  160.874   11.932  328.498   47.593  342.885   52.887  267.246  109.125  164.130   13.010  138.292   32.201 25.83836 34.72951 
1 1 1   15   26   15 o  270.848   12.932  927.912   87.464  928.494  102.623  926.366  167.209  269.834   15.293  264.639   25.623 5.194489 29.83957 
1 1 1   15   26   16 o  251.494   12.391  799.131   77.821  781.452   90.705  848.444  151.486  247.681   14.732  253.992   24.175 -6.311127 28.31032 
1 1 1   15   26   17 o  220.970   11.978  618.154   65.847  624.282   75.902  599.508  132.388  221.576   13.786  212.597   25.442 8.978836 28.93718 
1 1 1   15   26   18 o   26.766   12.163 -10.6109   17.731 -13.8970   18.241   45.649   75.477   26.205   12.068   72.496   28.490 -46.29110 30.94002 
1 1 1   15   26   19 o  111.008   15.368  159.447   41.458  146.110   46.776  208.294   89.521  105.383   18.447  122.824   29.547 -17.44045 34.83253 
1 1 1   15   26   20 o  193.650   11.338  474.434   54.589  432.134   61.460  632.499  118.808  184.287   13.448  220.071   21.910 -35.78474 25.70802 
1 1 1   15   26   21 o  286.204   12.955  1036.08   92.588  1012.32  108.828  1098.36  176.176  281.710   15.530  288.953   24.652 -7.242889 29.13551 
1 1 1   15   26   22 o  298.043   13.897  1125.98  103.431  1187.44  122.726  975.324  192.161  304.857   16.179  269.459   29.015 35.39856 33.22095 
1 1 1   15   26   23 o  297.575   12.719  1120.03   94.518  1088.91  111.424  1199.88  178.482  292.189   15.324  302.360   23.832 -10.17035 28.33350 
1 1 1   15   26   24 o  110.853   21.473  164.146   57.295  164.146   57.295   0.0000   0.0000  110.853   21.473  ?   ?  0.000000 21.47317 
1 1 1   15   26   25 o   85.281   14.431   94.846   29.637  103.902   31.643   30.150   84.577   89.287   14.704   71.366   29.399 17.92037 32.87128 
1 1 1   15   26   26 o  120.232   12.216  184.732   36.169  195.772   39.644  129.905   88.345  123.616   13.039   97.928   31.675 25.68791 34.25374 
1 1 1   15   26   27 o   34.546   14.539   2.2506   21.343   5.4278   22.419 -28.4900   69.734   36.630   15.118   54.060   24.386 -17.42999 28.69179 
1 1 1   15   26   28 o  161.699   14.108  335.564   56.397  300.431   70.392  398.542   94.245  151.240   19.062  173.038   22.332 -21.79807 29.36068 
1 1 1   15   26   29 o  151.062   10.842  290.106   40.629  282.215   46.658  314.858   82.635  148.489   12.705  153.285   22.237 -4.795776 25.61082 
1 1 1   15   26   30 o  313.966   13.517  1258.21  105.976  1375.16  128.715  1012.10  186.723  326.952   15.765  271.030   27.992 55.92160 32.12591 
1 1 1   15   26   31 o  166.958   10.264  354.193   42.586  355.925   51.337  350.371   76.260  166.702   12.421  162.648   19.142 4.054520 22.81911 
1 1 1   15   26   32 o  127.114   17.981  214.740   55.484  214.740   55.484   0.0000   0.0000  127.114   17.981  ?   ?  0.000000 17.98121 
1 1 1   15   26   33 o   77.572   9.5416   77.318   18.094   81.160   21.126   66.744   35.050   79.154   10.984   69.914   19.395 9.240616 22.28958 
1 1 1   15   26   34 o   79.062   12.519   81.963   23.894   78.369   27.766   92.220   46.907   76.522   15.067   81.088   22.416 -4.565651 27.00883 
1 1 1   15   27    0 o  153.936   33.396  347.469  124.685   0.0000   0.0000  347.469  124.685  ?   ?   153.936   33.396 0.000000 33.39606 
1 1 1   15   27    1 o  158.938   17.444  330.497   68.095  390.124   82.633  204.326  120.203  171.841   19.608  117.224   36.842 54.61721 41.73502 
1 1 1   15   27    2 o  106.658   20.017  152.811   51.356  165.398   58.864  112.696  105.087  110.302   22.140   93.752   34.342 16.54967 40.86056 
1 1 1   15   27    3 o   99.353   20.360  133.075   48.815  135.595   55.935  125.021   99.986   99.525   22.972   96.550   33.709 2.974838 40.79261 
1 1 1   15   27    4 o  203.656   20.719  546.255  103.900  546.255  103.900   0.0000   0.0000  203.656   20.719  ?   ?  0.000000 20.71860 
1 1 1   15   27    5 o   94.704   20.676  121.033   47.527  151.933   54.547   23.628   96.846  106.167   21.315   73.223   30.903 32.94373 37.54095 
1 1 1   15   27    6 o   49.669   19.764   18.117   36.745   12.511   40.521   44.061   87.176   49.618   20.384   74.752   30.200 -25.13442 36.43536 
1 1 1   15   27    7 o  227.904   17.059  670.246   96.383  815.805  126.635  469.825  148.596  249.837   20.478  181.957   33.952 67.87996 39.64917 
1 1 1   15   27    8 f  113.265   18.288  169.015   49.963  157.678   58.512  199.533   96.001  108.033   22.423  118.714   31.761 -10.68108 38.87911 
1 1 1   15   27    9 o  153.869   29.328  327.427  108.576   0.0000   0.0000  327.427  108.576  ?   ?   153.869   29.328 0.000000 29.32805 
1 1 1   15   27   10 o  274.439   17.626  970.553  120.156  1121.77  162.183  786.565  178.895  292.418   22.380  239.574   30.602 52.84344 37.91204 
1 1 1   15   27   11 o  181.911   12.269  420.544   55.408  442.519   62.587  340.909  119.144  186.271   13.548  156.156   31.638 30.11539 34.41637 
1 1 1   15   27   12 o  131.714   16.383  224.850   52.722  249.769   61.576  156.400  102.052  138.335   18.272  106.472   34.003 31.86293 38.60106 
1 1 1   15   27   13 o  135.746   12.390  234.983   41.536  258.599   45.362  112.459  103.326  142.334   12.903   95.011   34.163 47.32302 36.51826 
1 1 1   15   27   14 o  283.170   23.305  1053.61  163.336  1053.61  163.336   0.0000   0.0000  283.170   23.305  ?   ?  0.000000 23.30539 
1 1 1   15   27   15 o  246.283   12.984  770.162   79.570  818.773   92.504  631.866  156.025  253.378   14.683  215.458   29.796 37.91985 33.21761 
1 1 1   15   27   16 o  212.686   12.159  573.590   64.308  593.683   73.664  509.216  131.851  215.940   13.732  194.076   28.017 21.86397 31.20143 
1 1 1   15   27   17 o   75.861   15.390   75.799   28.158   90.368   29.817 -44.3080   85.610   83.110   14.915   58.371   26.602 24.73869 30.49755 
1 1 1   15   27   18 o   87.383   13.706   99.042   28.923   93.689   30.576  144.581   89.180   84.639   15.016  102.735   31.644 -18.09615 35.02592 
1 1 1   15   27   19 f  171.907   15.110  378.711   64.207  395.017   78.329  345.315  112.096  174.599   18.234  158.648   29.377 15.95090 34.57547 
1 1 1   15   27   20 o   70.006   15.726   64.842   26.820   58.805   28.191  122.426   87.067   66.570   16.922   95.917   31.470 -29.34750 35.73130 
1 1 1   15   27   21 o  147.375   11.676  275.973   42.617  260.145   46.604  356.788  105.308  142.705   13.228  162.361   26.916 -19.65634 29.99105 
1 1 1   15   27   22 o  124.851   11.834  198.677   36.454  199.735   39.219  191.958   98.851  124.984   12.744  116.789   32.633 8.194572 35.03326 
1 1 1   15   27   23 o  205.633   11.877  536.280   60.730  543.596   68.951  510.967  128.251  206.590   13.438  194.549   27.138 12.04128 30.28262 
1 1 1   15   27   24 o   67.153   21.583   57.788   41.067   57.788   41.067   0.0000   0.0000   67.153   21.583  ?   ?  0.000000 21.58281 
1 1 1   15   27   25 o  113.573   12.024  165.028   33.582  154.298   35.890  240.493   95.182  109.451   13.412  131.065   29.761 -21.61360 32.64330 
1 1 1   15   27   26 o  114.474   12.239  167.900   34.445  183.990   37.210   71.555   91.053  119.795   12.629   82.045   31.557 37.74997 33.99047 
1 1 1   15   27   27 o  160.954   11.603  329.799   46.325  345.351   51.807  267.761  103.474  164.411   12.717  137.232   30.934 27.17900 33.44608 
1 1 1   15   27   28 o  221.210   11.890  622.702   65.439  644.273   76.491  563.813  126.384  224.326   13.721  203.809   25.382 20.51674 28.85343 
1 1 1   15   27   29 o  191.977   11.371  469.159   54.272  474.036   62.815  454.799  107.791  192.358   13.156  183.062   24.170 9.295517 27.51876 
1 1 1   15   27   30 o  234.168   12.320  700.521   71.787  798.031   85.815  473.232  131.017  249.248   13.842  182.508   29.774 66.73972 32.83419 
1 1 1   15   27   31 o   97.474   10.828  122.072   25.910  130.928   29.619   93.204   53.476  100.671   12.019   81.934   24.352 18.73721 27.15686 
1 1 1   15   27   32 o   82.918   16.783   92.578   33.559   92.578   33.559   0.0000   0.0000   82.918   16.783  ?   ?  0.000000 16.78314 
1 1 1   15   27   33 o   42.448   12.593   23.487   14.310   18.980   17.113   33.966   26.093   40.169   13.950   51.815   17.239 -11.64623 22.17656 
1 1 1   15   28    0 f   82.377   21.088   93.838   43.566   99.303   48.282   69.891  101.067   84.424   22.496   81.503   32.661 2.920074 39.65846 
1 1 1   15   28    1 o   86.245   33.651   86.679  104.688   0.0000   0.0000   86.679  104.688  ?   ?    86.245   33.651 0.000000 33.65092 
1 1 1   15   28    2 o   38.168   17.116 -13.1327   33.791 -14.3734   36.078  -4.2644   96.452   39.294   17.649   67.130   29.576 -27.83651 34.44161 
1 1 1   15   28    3 o   96.173   20.562  125.804   47.887  153.181   54.134   27.300  102.683  106.139   21.167   74.615   31.673 31.52406 38.09489 
1 1 1   15   28    4 o  175.189   17.323  400.608   74.791  481.437   91.345  236.202  130.274  191.183   19.402  124.906   38.208 66.27689 42.85195 
1 1 1   15   28    5 o   52.961   20.268   26.684   37.444   34.128   40.159 -22.8527  103.590   56.819   21.155   67.095   30.037 -10.27555 36.73883 
1 1 1   15   28    6 o  101.621   19.561  138.475   47.839  121.261   53.550  206.510  106.462   94.025   22.997  119.061   34.078 -25.03590 41.11146 
1 1 1   15   28    7 o  101.099   19.707  137.043   47.964  137.542   54.817  135.414   99.070  100.455   22.420   99.361   33.594 1.094116 40.38840 
1 1 1   15   28    8 o   91.589   20.837  113.526   46.584  123.395   52.948   79.716   98.003   95.095   22.625   85.251   32.752 9.844002 39.80652 
1 1 1   15   28    9 o  157.572   16.809  322.258   65.121  361.507   79.621  242.950  113.180  165.908   19.596  129.465   34.416 36.44359 39.60413 
1 1 1   15   28   10 o  201.046   27.286  549.689  133.451   0.0000   0.0000  549.689  133.451  ?   ?   201.046   27.286 0.000000 27.28623 
1 1 1   15   28   11 o  206.288   16.882  549.495   86.205  641.050  110.688  408.350  137.433  221.366   20.248  169.452   33.665 51.91476 39.28486 
1 1 1   15   28   12 o   63.497   16.257   53.560   25.888   47.816   26.905  125.220   95.024   60.234   17.094   96.863   32.900 -36.62828 37.07550 
1 1 1   15   28   13 o  142.831   13.009  260.833   45.893  311.220   50.105  -1.6318  114.354  156.126   12.969   74.387   32.502 81.73921 34.99410 
1 1 1   15   28   14 o  144.859   12.570  267.783   45.019  300.451   49.698  118.368  106.286  153.363   13.102   96.495   34.654 56.86774 37.04812 
1 1 1   15   28   15 o  216.477   20.646  613.001  110.257  613.001  110.257   0.0000   0.0000  216.477   20.646  ?   ?  0.000000 20.64626 
1 1 1   15   28   16 o  124.567   12.381  198.320   38.003  214.993   41.006   96.844  101.162  129.637   12.836   90.547   33.603 39.09019 35.97053 
1 1 1   15   28   17 o   36.443   14.602   8.4223   20.197   6.1649   20.772   47.500   86.423   35.811   14.639   75.602   30.235 -39.79123 33.59298 
1 1 1   15   28   18 o  101.897   12.603  133.432   31.385  131.053   33.289  152.462   94.147  100.743   13.578  104.833   32.550 -4.090195 35.26856 
1 1 1   15   28   19 o  129.382   11.655  213.270   37.251  196.720   39.999  321.476  102.274  123.880   13.130  153.205   27.755 -29.32560 30.70366 
1 1 1   15   28   20 o  137.867   15.397  245.343   52.104  253.617   60.283  220.908  103.597  139.488   17.705  124.626   32.830 14.86236 37.30010 
1 1 1   15   28   21 o  141.273   12.098  254.408   42.267  272.888   46.090  156.679  105.989  146.187   12.753  106.330   34.714 39.85737 36.98265 
1 1 1   15   28   22 o   58.923   15.440   45.956   22.993   43.309   23.732   86.467   92.840   57.341   15.978   86.289   32.157 -28.94879 35.90815 
1 1 1   15   28   23 o  190.171   11.580  459.213   54.731  461.189   60.939  450.971  124.458  190.200   12.907  181.232   28.436 8.967133 31.22810 
1 1 1   15   28   24 o  120.995   11.625  186.979   34.691  188.331   37.270  178.210   94.920  121.228   12.490  111.854   32.225 9.373177 34.56102 
1 1 1   15   28   25 o   97.402   13.473  122.934   31.893  122.934   31.893   0.0000   0.0000   97.402   13.473  ?   ?  0.000000 13.47288 
1 1 1   15   28   26 o   68.396   14.635   62.015   24.240   59.269   25.152   97.864   90.870   66.711   15.409   88.087   31.985 -21.37563 35.50342 
1 1 1   15   28   27 o   86.133   12.650   96.326   26.399   88.164   27.678  178.566   87.852   81.978   14.024  111.375   30.631 -29.39671 33.68911 
1 1 1   15   28   28 f   80.460   12.658   84.386   24.592   65.821   25.790  270.466   81.650   70.289   15.140  140.359   24.167 -70.06953 28.51791 
1 1 1   15   28   29 o  152.048   11.001  295.006   41.489  292.550   46.516  304.563   91.756  150.956   12.451  147.843   25.791 3.113403 28.63917 
1 1 1   15   28   30 o   79.781   12.122   82.946   23.391   85.443   25.112   66.577   64.299   80.791   12.880   73.567   26.876 7.224068 29.80290 
1 1 1   15   28   31 o  178.216   11.305  406.367   50.051  440.599   58.877  317.178   95.037  184.970   12.826  149.555   26.413 35.41518 29.36240 
1 1 1   15   28   32 o  152.089   10.169  295.327   38.400  292.216   46.022  302.455   69.670  150.500   12.354  149.951   19.035 0.5491333 22.69247 
1 1 1   15   28   33 o  154.777   10.309  306.415   39.619  207.345   54.387  418.422   57.829  124.015   18.095  179.789   12.968 -55.77376 22.26160 
1 1 1   15   29    0 o  164.299   17.817  360.946   71.929  449.901   86.088  155.253  130.909  182.702   19.154  100.547   38.036 82.15454 42.58661 
1 1 1   15   29    1 o   60.117   20.934   45.326   38.550   63.815   41.648 -65.2728  101.863   68.583   21.703   59.268   27.709 9.315323 35.19627 
1 1 1   15   29    2 o  164.163   33.235  405.643  131.573   0.0000   0.0000  405.643  131.573  ?   ?   164.163   33.235 0.000000 33.23537 
1 1 1   15   29    3 o   68.581   21.421   63.188   40.705   74.625   44.418   3.2270  101.703   73.866   22.249   69.340   30.465 4.526260 37.72417 
1 1 1   15   29    4 o  113.296   19.335  172.828   52.740  220.695   60.198   14.767  109.390  128.313   19.392   73.627   31.985 54.68538 37.40484 
1 1 1   15   29    5 o  113.124   18.687  171.150   50.946  188.730   57.985  111.647  106.680  118.225   20.376   92.559   34.476 25.66592 40.04697 
1 1 1   15   29    6 o  177.708   16.863  412.163   73.935  460.999   89.709  308.749  130.545  186.691   19.532  142.743   36.485 43.94858 41.38379 
1 1 1   15   29    7 f  159.290   19.869  336.746   77.316  336.746   77.316   0.0000   0.0000  159.290   19.869  ?   ?  0.000000 19.86913 
1 1 1   15   29    8 o   97.294   19.674  127.639   46.158  134.508   51.917  101.729  100.832   99.326   21.551   90.252   33.537 9.073578 39.86438 
1 1 1   15   29    9 f  176.790   16.107  405.067   70.329  401.569   85.289  412.497  124.318  174.354   19.948  171.071   30.205 3.283051 36.19801 
1 1 1   15   29   10 o  153.269   17.021  306.276   64.046  341.564   76.585  224.194  116.804  160.960   19.448  123.231   35.818 37.72849 40.75762 
1 1 1   15   29   11 o  127.631   33.621  236.944  108.648   0.0000   0.0000  236.944  108.648  ?   ?   127.631   33.621 0.000000 33.62086 
1 1 1   15   29   12 o  171.427   20.080  387.431   84.330  387.431   84.330   0.0000   0.0000  171.427   20.080  ?   ?  0.000000 20.07964 
1 1 1   15   29   13 o  116.516   12.759  174.393   36.518  174.241   38.921  175.518  105.570  116.227   13.671  110.726   34.483 5.500923 37.09393 
1 1 1   15   29   14 o  181.154   11.814  417.450   53.152  408.310   58.842  457.972  123.897  178.719   13.279  182.506   28.086 -3.786499 31.06696 
1 1 1   15   29   15 o  111.844   12.620  160.683   34.632  168.884   36.841   98.392  101.531  114.574   13.113   90.377   33.639 24.19729 36.10439 
1 1 1   15   29   16 o   81.029   21.735   88.952   44.888   88.952   44.888   0.0000   0.0000   81.029   21.735  ?   ?  0.000000 21.73472 
1 1 1   15   29   17 o  185.109   12.167  436.155   55.930  458.077   62.335  345.627  126.673  189.388   13.264  155.193   33.655 34.19507 36.17454 
1 1 1   15   29   18 o  174.887   11.886  389.175   51.602  398.076   57.060  349.212  120.906  176.554   13.034  156.975   31.931 19.57896 34.48852 
1 1 1   15   29   19 o  209.897   12.322  560.623   64.302  579.922   72.713  491.371  137.737  213.010   13.743  187.821   30.406 25.18855 33.36757 
1 1 1   15   29   20 f  100.981   12.783  131.459   31.512  130.560   33.189  139.689  100.409  100.427   13.582  100.772   33.821 -0.3447113 36.44658 
1 1 1   15   29   21 o   98.961   16.590  128.990   39.547  129.490   43.247  126.441   97.717   98.673   18.223   96.868   33.353 1.804779 38.00601 
1 1 1   15   29   22 f  163.284   11.533  339.393   46.723  337.375   51.011  349.907  116.430  162.476   12.673  157.351   30.733 5.124329 33.24347 
1 1 1   15   29   23 o  111.486   11.431  159.082   31.374  140.763   32.881  345.348  104.849  104.447   12.879  157.815   27.611 -53.36808 30.46679 
1 1 1   15   29   24 o   86.432   12.428   96.822   26.054   87.430   27.039  218.683   97.394   81.724   13.737  122.963   31.559 -41.23948 34.41924 
1 1 1   15   29   25 o  161.913   18.165  344.524   72.180  344.524   72.180   0.0000   0.0000  161.913   18.165  ?   ?  0.000000 18.16530 
1 1 1   15   29   26 o  161.424   11.503  332.617   46.066  330.397   49.973  345.175  118.842  160.545   12.565  154.171   31.920 6.374359 34.30379 
1 1 1   15   29   27 o   73.855   13.320   71.776   23.662   65.044   24.483  167.077   92.120   69.946   14.493  106.713   32.018 -36.76678 35.14528 
1 1 1   15   29   28 o   70.944   13.342   66.456   22.770   71.052   23.573   2.5070   87.940   73.412   13.351   65.204   28.496 8.208443 31.46826 
1 1 1   15   29   29 o   91.325   17.434  112.304   38.309  127.274   43.388   59.361   81.597   96.932   18.601   74.973   29.571 21.95908 34.93525 
1 1 1   15   29   30 o   70.074   12.641   64.753   21.306   59.006   22.234  129.343   74.535   66.520   13.835   94.128   28.919 -27.60850 32.05783 
1 1 1   15   29   31 o   89.830   10.670  104.195   23.467   96.393   25.314  151.883   62.582   85.940   12.133  102.898   24.674 -16.95879 27.49585 
1 1 1   15   29   32 o   50.693   11.293   34.119   13.929   39.602   15.182   4.9335   35.026   54.647   11.490   43.588   18.500 11.05826 21.77796 
1 1 1   15   29   33 o   91.978   22.169  120.423   50.320   0.0000   0.0000  120.423   50.320  ?   ?    91.978   22.169 0.000000 22.16852 
1 1 1   15   30    0 o   44.635   18.426   11.941   33.313   13.522   35.133  -2.1451  104.855   46.048   18.956   66.517   29.963 -20.46876 35.45582 
1 1 1   15   30    1 o   63.969   20.873   55.569   38.321   50.280   41.014   91.931  107.531   62.084   21.595   84.012   33.681 -21.92836 40.00929 
1 1 1   15   30    2 o  157.105   17.631  331.052   67.975  391.161   80.466  181.264  127.023  169.772   19.324  105.211   37.873 64.56042 42.51836 
1 1 1   15   30    3 o  206.700   17.222  566.796   88.083  587.516  109.028  527.856  149.464  207.269   21.371  185.412   33.515 21.85767 39.74876 
1 1 1   15   30    4 o   86.059   21.295  103.539   45.515  134.837   50.414 -34.4284  105.848   98.482   21.132   64.308   29.412 34.17412 36.21681 
1 1 1   15   30    5 f  149.831   18.076  299.077   66.267  394.574   78.620   64.775  123.149  172.040   18.596   84.019   35.116 88.02119 39.73580 
1 1 1   15   30    6 o   67.081   21.048   60.311   39.252   70.496   42.566   2.4405  101.460   71.896   21.808   68.996   30.368 2.899620 37.38757 
1 1 1   15   30    7 o  151.229   17.800  302.559   65.934  387.677   78.306   95.200  122.221  170.960   18.644   90.408   36.023 80.55201 40.56149 
1 1 1   15   30    8 o   56.263   20.661   35.319   38.068   35.319   38.068   0.0000   0.0000   56.263   20.661  ?   ?  0.000000 20.66069 
1 1 1   15   30    9 o   62.116   20.598   49.386   37.264   31.540   39.925  169.992  103.792   55.496   21.003  107.316   34.293 -51.82047 40.21359 
1 1 1   15   30   10 o   74.062   21.449   74.530   41.954   71.556   46.117   88.805  101.042   73.020   22.799   86.622   33.261 -13.60237 40.32485 
1 1 1   15   30   11 o   49.411   19.483   19.885   35.409   19.885   35.409   0.0000   0.0000   49.411   19.483  ?   ?  0.000000 19.48301 
1 1 1   15   30   12 o  112.715   17.837  168.500   48.536  132.928   54.726  299.596  105.060   98.234   22.756  144.827   30.034 -46.59380 37.68144 
1 1 1   15   30   13 o   89.804   19.923  109.379   43.510  107.574   48.477  116.859   98.675   88.535   22.018   93.619   33.414 -5.083328 40.01659 
1 1 1   15   30   14 o   61.557   20.409   48.009   36.582   53.969   39.347   10.018   99.342   64.750   21.152   70.844   30.628 -6.093597 37.22203 
1 1 1   15   30   15 o   82.480   14.130   89.248   28.056   91.306   29.201   64.530  101.186   83.332   14.563   81.857   32.723 1.475182 35.81750 
1 1 1   15   30   16 o  134.031   12.086  229.970   40.015  234.301   42.862  200.575  111.662  135.080   12.862  116.651   35.307 18.42828 37.57716 
1 1 1   15   30   17 o   87.535   20.789  104.341   44.767  104.341   44.767   0.0000   0.0000   87.535   20.789  ?   ?  0.000000 20.78897 
1 1 1   15   30   18 o  100.834   12.817  131.389   31.545  142.570   33.144   23.852  102.793  105.074   12.903   74.332   31.626 30.74221 34.15640 
1 1 1   15   30   19 o  109.236   12.219  153.456   32.761  152.682   34.479  160.650  105.113  108.764   12.949  105.774   34.572 2.989777 36.91764 
1 1 1   15   30   20 o  118.170   11.845  179.037   34.484  172.525   36.417  235.563  107.291  115.720   12.817  126.580   33.442 -10.85937 35.81403 
1 1 1   15   30   21 o  108.488   12.274  151.530   32.667  158.325   34.441   90.601  103.129  110.816   12.674   87.738   33.623 23.07767 35.93238 
1 1 1   15   30   22 o  163.663   11.457  341.695   46.529  334.993   50.599  378.404  118.420  161.675   12.633  162.914   30.221 -1.239105 32.75523 
1 1 1   15   30   23 o  108.889   11.634  152.332   31.144  144.412   32.576  236.544  106.224  105.734   12.585  126.284   33.233 -20.55006 35.53588 
1 1 1   15   30   24 o   51.431   14.520   34.934   19.465   33.109   19.861   79.316   97.940   50.271   14.815   83.662   32.575 -33.39042 35.78542 
1 1 1   15   30   25 f  189.090   12.521  458.442   58.791  522.441   65.698  201.178  131.721  201.657   13.118  114.357   38.736 87.30005 40.89646 
1 1 1   15   30   26 o  121.523   12.337  190.455   36.919  190.455   36.919   0.0000   0.0000  121.523   12.337  ?   ?  0.000000 12.33689 
1 1 1   15   30   27 o   98.000   11.548  124.051   27.718  111.745   28.720  291.150  105.831   92.602   12.759  140.197   31.048 -47.59471 33.56730 
1 1 1   15   30   28 o   95.746   11.834  118.821   27.693  114.247   28.901  170.141   96.810   93.602   12.692  105.773   33.034 -12.17135 35.38849 
1 1 1   15   30   29 o   98.678   16.332  130.288   38.838  107.962   43.023  228.606   90.284   88.303   19.978  123.797   29.604 -35.49441 35.71426 
1 1 1   15   30   30 o  107.645   11.763  150.139   31.105  154.651   33.520  122.174   83.454  109.002   12.543   90.965   30.832 18.03701 33.28607 
1 1 1   15   30   31 o  110.304   11.085  157.161   30.119  172.337   32.994   81.270   73.783  115.373   11.610   77.924   28.741 37.44878 30.99729 
1 1 1   15   30   32 o   32.055   15.352 -44.7039   35.056   0.0000   0.0000 -44.7039   35.056  ?   ?    32.055   15.352 0.000000 15.35160 
1 1 1   15   31    0 o   40.139   17.246   3.1003   31.114   3.1003   31.114   0.0000   0.0000   40.139   17.246  ?   ?  0.000000 17.24622 
1 1 1   15   31    1 o   96.094   19.715  131.281   45.724  129.561   49.823  140.463  115.113   94.355   21.610   91.607   35.413 2.747734 41.48614 
1 1 1   15   31    2 o  102.548   19.733  148.040   48.697  178.941   53.641   3.2132  116.130  112.982   19.731   69.297   31.344 43.68442 37.03737 
1 1 1   15   31    3 o  116.609   18.483  186.952   52.026  194.475   57.891  155.365  118.626  117.846   20.411   97.260   36.329 20.58616 41.67060 
1 1 1   15   31    4 o   80.153   20.952   91.189   42.407  115.712   46.280 -37.2155  105.900   90.399   20.916   62.689   28.943 27.70929 35.70970 
1 1 1   15   31    5 f   79.608   33.219   64.218  109.950   0.0000   0.0000   64.218  109.950  ?   ?    79.608   33.219 0.000000 33.21864 
1 1 1   15   31    6 o   83.915   21.158   99.083   44.327  139.637   48.750 -94.4886  106.507  100.363   20.152   57.134   27.195 43.22905 33.84763 
1 1 1   15   31    7 o  195.845   19.025  514.813   91.868  755.323  115.539  101.369  151.485  236.917   19.708   92.997   38.914 143.9204 43.62020 
1 1 1   15   31    8 o   77.443   20.525   83.288   40.333   81.464   43.641   93.969  105.604   76.465   21.795   86.396   33.773 -9.931213 40.19538 
1 1 1   15   31   10 o  132.270   19.705  236.184   63.099  236.184   63.099   0.0000   0.0000  132.270   19.705  ?   ?  0.000000 19.70495 
1 1 1   15   31   11 o  125.012   17.514  207.821   53.174  215.762   59.851  178.065  115.855  126.500   19.579  108.091   36.329 18.40853 41.26929 
1 1 1   15   31   12 o   92.371   19.354  116.254   43.216  115.591   47.225  119.670  107.179   91.519   21.096   93.674   34.622 -2.155907 40.54310 
1 1 1   15   31   13 o   76.534   20.448   80.383   39.822   84.228   43.392   59.856  100.263   78.176   21.538   79.488   32.291 -1.311249 38.81490 
1 1 1   15   31   14 o  190.336   17.172  475.075   80.743  567.274  100.033  302.712  136.774  206.655   19.619  138.853   38.233 67.80249 42.97308 
1 1 1   15   31   15 o  156.958   16.750  323.159   64.638  351.673   75.634  245.930  124.477  162.737   18.967  126.012   37.077 36.72542 41.64674 
1 1 1   15   31   16 o  130.912   12.412  220.510   40.090  240.957   42.926   80.941  112.151  136.800   12.711   86.339   34.473 50.46114 36.74213 
1 1 1   15   31   17 o  184.558   12.250  436.168   56.136  458.422   61.943  333.888  132.794  188.845   13.219  147.758   36.260 41.08614 38.59453 
1 1 1   15   31   18 o  135.427   18.791  244.354   61.836  244.354   61.836   0.0000   0.0000  135.427   18.791  ?   ?  0.000000 18.79100 
1 1 1   15   31   19 o  133.724   11.386  228.996   37.658  209.456   39.753  399.883  117.560  127.472   12.656  167.360   29.191 -39.88797 31.81615 
1 1 1   15   31   20 o   61.620   14.834   50.813   22.551   51.564   23.147   36.787  100.045   62.042   15.086   74.987   31.515 -12.94504 34.93992 
1 1 1   15   31   21 o   73.233   13.623   70.850   23.997   68.068   24.689  118.428  102.100   71.571   14.314   93.066   33.887 -21.49482 36.78624 
1 1 1   15   31   22 o  106.605   16.581  150.860   42.706  153.867   46.474  134.535  108.282  107.139   18.009   97.306   34.974 9.832741 39.33863 
1 1 1   15   31   23 o   92.848   11.905  111.700   26.967  106.752   27.921  180.441  104.073   90.511   12.703  109.037   34.283 -18.52554 36.56095 
1 1 1   15   31   24 o   54.560   14.091   39.787   19.332   37.344   19.687  105.688  102.260   52.929   14.477   89.298   33.657 -36.36936 36.63805 
1 1 1   15   31   25 o   59.746   14.093   47.826   20.685   44.375   21.104  132.226  104.376   57.495   14.655   95.577   34.339 -38.08188 37.33571 
1 1 1   15   31   26 f   47.678   16.318   27.802   23.378   27.802   23.378   0.0000   0.0000   47.678   16.318  ?   ?  0.000000 16.31804 
1 1 1   15   31   27 o   47.535   13.771   29.877   17.292   30.115   17.547   21.848  101.749   47.732   13.885   71.312   30.914 -23.57947 33.88883 
1 1 1   15   31   28 o  110.251   11.303  157.056   30.678  150.878   32.006  226.951  107.653  107.776   12.101  119.292   34.304 -11.51609 36.37603 
1 1 1   15   31   29 o   65.727   12.325   57.279   19.487   56.843   19.935   66.645   92.432   65.377   12.668   77.133   31.120 -11.75637 33.59929 
1 1 1   15   31   30 o  105.322   10.759  143.334   27.899  139.275   29.352  181.338   89.805  103.542   11.549  107.368   31.465 -3.826088 33.51701 
1 1 1   15   31   31 o  133.706   14.516  236.226   47.689  216.509   56.857  283.007   87.580  125.751   18.673  138.652   26.256 -12.90190 32.21894 
1 1 1   15   31   32 o   48.587   23.107 -70.8134   76.556   0.0000   0.0000 -70.8134   76.556  ?   ?    48.587   23.107 0.000000 23.10667 
1 1 1   15   32    0 o   42.529   17.631   12.425   30.685   11.377   31.860   25.856  114.044   42.711   17.857   67.495   30.738 -24.78416 35.54853 
1 1 1   15   32    1 o   90.313   21.129  121.503   46.806  121.503   46.806   0.0000   0.0000   90.313   21.129  ?   ?  0.000000 21.12944 
1 1 1   15   32    2 o   95.478   19.697  131.527   45.404  142.056   49.172   70.627  118.259   98.712   20.613   76.653   33.278 22.05933 39.14515 
1 1 1   15   32    3 o   65.029   29.832  -8.3526  110.034   0.0000   0.0000  -8.3526  110.034  ?   ?    65.029   29.832 0.000000 29.83242 
1 1 1   15   32    4 o   93.055   19.639  123.217   44.201  125.498   47.967  110.377  113.812   93.099   21.117   85.389   34.503 7.710159 40.45263 
1 1 1   15   32    5 o  119.716   17.857  196.958   51.751  199.814   57.550  184.892  118.294  119.249   20.037  102.567   36.588 16.68181 41.71518 
1 1 1   15   32    6 o   74.630   31.898   49.472  105.438   0.0000   0.0000   49.472  105.438  ?   ?    74.630   31.898 0.000000 31.89760 
1 1 1   15   32    7 o   64.733   20.438   57.788   36.953   62.491   39.291   21.754  108.748   67.031   21.063   71.280   31.404 -4.249962 37.81396 
1 1 1   15   32    8 o   65.836   29.900 -15.8330  106.964   0.0000   0.0000 -15.8330  106.964  ?   ?    65.836   29.900 0.000000 29.89958 
1 1 1   15   32    9 o  161.698   19.510  356.230   77.188  356.230   77.188   0.0000   0.0000  161.698   19.510  ?   ?  0.000000 19.51013 
1 1 1   15   32   10 o  100.043   20.399  139.304   49.235  139.304   49.235   0.0000   0.0000  100.043   20.399  ?   ?  0.000000 20.39941 
1 1 1   15   32   11 o  113.058   17.659  172.445   48.227  161.669   52.926  225.167  117.071  108.135   20.347  117.615   36.261 -9.479439 41.57904 
1 1 1   15   32   12 o   67.029   19.854   61.568   35.591   55.142   37.814  111.434  105.342   64.175   20.719   89.735   34.078 -25.56081 39.88269 
1 1 1   15   32   13 o   77.275   19.756   82.764   38.271   86.018   41.028   60.959  106.197   78.569   20.643   79.475   32.861 -0.9057922 38.80687 
1 1 1   15   32   14 o   62.066   19.856   51.194   34.788   43.114   37.000  112.781  102.151   58.801   20.507   90.207   33.709 -31.40556 39.45694 
1 1 1   15   32   15 o  152.674   16.868  308.657   63.235  330.935   73.925  247.904  122.079  156.825   19.283  124.306   36.759 32.51881 41.50933 
1 1 1   15   32   16 o   74.203   19.013   75.730   35.390   52.896   37.488  262.817  107.305   63.287   20.645  131.022   32.856 -67.73517 38.80338 
1 1 1   15   32   17 o   50.884   15.400   34.038   21.243   31.009   21.707  102.495  103.208   49.108   15.682   88.187   33.674 -39.07930 37.14629 
1 1 1   15   32   18 o  105.400   12.879  144.592   33.192  168.453   34.783 -98.5066  111.022  114.026   12.416   58.718   27.896 55.30827 30.53431 
1 1 1   15   32   19 o  138.607   18.419  257.539   62.174  257.539   62.174   0.0000   0.0000  138.607   18.419  ?   ?  0.000000 18.41891 
1 1 1   15   32   20 o   45.404   14.749   26.087   19.141   28.450   19.470 -41.9567  104.490   46.998   14.835   63.011   28.967 -16.01289 32.54497 
1 1 1   15   32   21 o  101.447   12.165  133.599   30.204  137.048   31.416   91.484  109.778  102.653   12.514   86.366   34.225 16.28648 36.44157 
1 1 1   15   32   22 o   56.810   14.339   43.376   20.344   41.446   20.747   91.636  103.767   55.540   14.721   85.384   33.451 -29.84426 36.54660 
1 1 1   15   32   23 o  133.825   15.742  236.646   51.603  231.155   57.344  260.023  118.322  131.179   17.978  127.298   35.750 3.880539 40.01582 
1 1 1   15   32   24 o   33.427   12.850   9.9860   15.092   9.0524   15.256   52.826  103.348   32.997   12.854   76.963   32.168 -43.96594 34.64127 
1 1 1   15   32   25 o   71.918   12.485   68.312   21.609   62.779   22.047  203.204  108.860   68.631   13.345  112.319   35.022 -43.68849 37.47827 
1 1 1   15   32   26 o   72.715   12.481   69.873   21.847   63.885   22.241  234.555  116.643   69.201   13.354  119.191   36.089 -49.99033 38.48009 
1 1 1   15   32   27 o  124.067   16.919  207.029   51.052  207.029   51.052   0.0000   0.0000  124.067   16.919  ?   ?  0.000000 16.91916 
1 1 1   15   32   28 o  129.023   10.676  214.518   34.089  207.053   35.550  299.768  120.135  126.479   11.377  134.669   35.295 -8.190781 37.08358 
1 1 1   15   32   29 o  117.368   10.860  178.122   31.470  169.855   32.816  272.717  111.003  114.291   11.661  128.880   33.999 -14.58971 35.94353 
1 1 1   15   32   30 o   37.019   12.133   17.175   12.942   13.726   13.071  188.465   92.123   34.507   12.178  107.822   31.943 -73.31499 34.18607 
1 1 1   15   32   31 o  162.886   21.404  373.552   84.954   0.0000   0.0000  373.552   84.954  ?   ?   162.886   21.404 0.000000 21.40390 
1 1 1   15   33    0 o   55.423   19.573   44.019   33.771   44.696   35.111   35.661  123.422   55.854   19.932   66.885   31.008 -11.03086 36.86195 
1 1 1   15   33    1 o   42.018   17.342   13.538   29.496   9.9001   30.531   64.454  114.221   41.225   17.372   70.779   31.624 -29.55461 36.08140 
1 1 1   15   33    2 o   50.192   18.812   31.430   31.862   31.784   33.111   27.006  117.086   50.659   19.138   67.263   30.826 -16.60464 36.28384 
1 1 1   15   33    3 o   42.572   17.443   13.894   29.572   23.091   30.442 -140.1230  124.576   46.511   18.147   54.160   26.607 -7.649395 32.20600 
1 1 1   15   33    4 o  153.904   19.603  339.020   73.630  472.976   86.140 -24.3229  141.867  182.467   19.192   67.563   31.931 114.9040 37.25510 
1 1 1   15   33    5 o   68.413   20.257   68.285   37.053   71.871   39.239   38.757  112.592   69.936   20.877   70.930   31.566 -0.9948654 37.84492 
1 1 1   15   33    6 o   53.260   18.993   36.368   31.873   34.452   33.249   58.095  111.956   52.746   19.318   74.592   32.381 -21.84582 37.70592 
1 1 1   15   33    7 o   71.335   31.544   33.853  110.708   0.0000   0.0000   33.853  110.708  ?   ?    71.335   31.544 0.000000 31.54408 
1 1 1   15   33    8 o   35.445   15.641  -4.6394   27.084  -4.6394   27.084   0.0000   0.0000   35.445   15.641  ?   ?  0.000000 15.64137 
1 1 1   15   33    9 o   47.013   18.201   22.118   30.443   25.105   31.702 -13.2608  109.113   48.736   18.650   65.411   29.896 -16.67544 35.23632 
1 1 1   15   33   10 o  158.542   18.442  343.843   71.649  457.116   84.399   51.580  135.570  182.748   18.760   79.694   35.090 103.0547 39.79006 
1 1 1   15   33   11 o  129.979   19.093  232.874   60.125  232.874   60.125   0.0000   0.0000  129.979   19.093  ?   ?  0.000000 19.09290 
1 1 1   15   33   12 o   68.500   19.832   65.724   35.870   82.666   38.013 -71.9464  108.360   76.560   19.752   59.169   27.947 17.39080 34.22215 
1 1 1   15   33   13 o  118.905   16.988  190.955   49.008  187.391   53.990  207.637  116.801  116.595   19.212  110.817   36.455 5.778084 41.20747 
1 1 1   15   33   14 o  125.117   16.315  209.678   49.763  190.580   54.735  300.707  119.499  117.658   19.298  135.499   35.052 -17.84112 40.01295 
1 1 1   15   33   15 o   46.263   17.802   20.980   28.984   29.404   30.194 -77.8105  103.404   50.451   18.420   57.450   27.185 -6.998856 32.83771 
1 1 1   15   33   16 o   60.093   27.902 -47.5995  100.495   0.0000   0.0000 -47.5995  100.495  ?   ?    60.093   27.902 0.000000 27.90188 
1 1 1   15   33   17 o   87.956   18.571  106.856   39.509  112.411   42.189   67.252  112.651   89.936   19.358   80.526   33.615 9.409859 38.79058 
1 1 1   15   33   18 o   41.967   14.725   20.806   19.090   23.594   19.404 -63.4554  106.675   43.771   14.867   60.166   28.201 -16.39539 31.87939 
1 1 1   15   33   19 o  151.338   12.052  296.367   45.170  321.140   48.352  126.499  126.614  157.412   12.401   93.356   36.832 64.05560 38.86355 
1 1 1   15   33   20 o   94.336   18.412  122.377   41.818  122.377   41.818   0.0000   0.0000   94.336   18.412  ?   ?  0.000000 18.41225 
1 1 1   15   33   21 o   47.203   14.524   29.253   18.792   32.415   19.082 -72.4048  108.198   49.343   14.516   59.532   28.059 -10.18946 31.59186 
1 1 1   15   33   22 o  126.462   11.494  206.945   35.902  202.653   37.581  251.779  121.465  124.855   12.210  122.159   36.791 2.695625 38.76417 
1 1 1   15   33   23 o  138.325   11.353  247.234   38.871  245.497   41.015  262.554  121.801  137.540   12.064  124.561   36.683 12.97826 38.61616 
1 1 1   15   33   24 o   42.997   16.087   19.546   23.280   17.149   23.834   69.273  108.547   42.089   16.156   79.470   33.070 -37.38065 36.80563 
1 1 1   15   33   25 o   86.602   11.963   98.400   25.180   98.805   25.809   90.403  114.741   86.678   12.266   83.958   34.374 2.720230 36.49719 
1 1 1   15   33   26 o   33.894   12.682   11.621   14.468   12.876   14.585 -65.9095  114.622   34.766   12.785   61.308   28.891 -26.54198 31.59357 
1 1 1   15   33   27 o  151.839   15.603  307.884   58.322  303.800   64.153  327.333  140.003  149.598   17.504  134.421   39.256 15.17642 42.98138 
1 1 1   15   33   28 o   64.915   12.480   56.359   19.495   53.400   19.763  163.490  118.904   62.996   12.994   97.949   36.414 -34.95287 38.66320 
1 1 1   15   33   29 o   62.628   11.980   52.353   18.054   46.311   18.407  205.358   92.633   58.563   12.932  111.772   31.717 -53.20898 34.25210 
1 1 1   15   33   30 o  106.134   35.990  200.226  113.710   0.0000   0.0000  200.226  113.710  ?   ?   106.134   35.990 0.000000 35.98994 
1 1 1   15   33   31 o   82.418   27.405  104.300   65.946   0.0000   0.0000  104.300   65.946  ?   ?    82.418   27.405 0.000000 27.40539 
1 1 1   15   34    0 o   89.363   37.837  243.992  145.942   0.0000   0.0000  243.992  145.942  ?   ?    89.363   37.837 0.000000 37.83701 
1 1 1   15   34    1 o   92.845   20.249  133.994   45.626  149.880   48.571   14.795  133.048   98.140   20.481   63.876   30.402 34.26346 36.65738 
1 1 1   15   34    2 o   71.932   20.331   80.783   38.140   92.674   40.121 -30.8075  122.907   76.991   20.502   59.465   28.548 17.52622 35.14774 
1 1 1   15   34    3 o   54.608   19.150   42.432   32.285   49.896   33.519 -53.3962  120.105   58.156   19.541   57.829   27.879 0.3264122 34.04583 
1 1 1   15   34    4 o   91.331   20.484  126.561   45.567  126.561   45.567   0.0000   0.0000   91.331   20.484  ?   ?  0.000000 20.48423 
1 1 1   15   34    5 o   35.431   15.390   0.7307   25.317   4.7522   25.958 -77.7641  114.682   37.202   15.862   55.963   27.045 -18.76106 31.35314 
1 1 1   15   34    6 o   66.226   30.347   17.518  113.417   0.0000   0.0000   17.518  113.417  ?   ?    66.226   30.347 0.000000 30.34690 
1 1 1   15   34    7 o   79.652   19.866   93.716   39.381  100.684   41.324   24.789  129.972   82.398   20.232   70.366   32.333 12.03207 38.14100 
1 1 1   15   34    8 o   53.467   25.940 -104.9790  108.176   0.0000   0.0000 -104.9790  108.176  ?   ?    53.467   25.940 0.000000 25.94036 
1 1 1   15   34    9 o  200.484   18.734  562.839   92.703  693.577  112.982  293.470  162.174  219.961   20.817  113.739   42.479 106.2218 47.30530 
1 1 1   15   34   10 f  119.463   18.442  200.181   53.245  241.000   58.894   17.477  124.598  131.216   18.486   70.706   32.173 60.50980 37.10526 
1 1 1   15   34   11 o   83.373   19.733  100.144   40.445  122.992   43.204 -61.7943  115.023   92.892   19.257   60.246   28.556 32.64645 34.44214 
1 1 1   15   34   12 o   54.189   18.878   38.210   31.351   38.210   31.351   0.0000   0.0000   54.189   18.878  ?   ?  0.000000 18.87836 
1 1 1   15   34   13 f   65.049   19.477   59.817   34.115   75.897   35.706 -108.5960  115.555   72.922   19.305   56.552   27.285 16.36940 33.42363 
1 1 1   15   34   14 o   26.491   12.422 -19.4289   20.737 -21.2990   21.126   29.883  108.484   26.353   12.414   71.026   31.325 -44.67272 33.69562 
1 1 1   15   34   15 o   81.613   18.848   94.064   37.638  105.481   39.935   3.2819  112.609   86.447   19.016   68.280   30.876 18.16785 36.26238 
1 1 1   15   34   16 o   28.508   13.009 -11.6807   20.558  -8.3552   20.969 -94.1147  104.398   29.875   13.434   55.108   26.418 -25.23275 29.63746 
1 1 1   15   34   17 o   58.091   27.385 -62.1493  103.146   0.0000   0.0000 -62.1493  103.146  ?   ?    58.091   27.385 0.000000 27.38485 
1 1 1   15   34   18 o   47.236   17.191   26.061   26.271   27.339   27.050   4.8411  110.233   48.122   17.455   68.296   30.747 -20.17433 35.35589 
1 1 1   15   34   19 o   45.567   14.605   27.042   18.816   27.969   19.093  -4.2254  110.864   46.225   14.701   67.223   30.495 -20.99823 33.85368 
1 1 1   15   34   20 o   75.505   13.654   76.545   24.798   87.213   25.413 -135.8421  113.387   80.956   13.011   54.198   26.355 26.75740 29.39232 
1 1 1   15   34   21 f   62.758   18.219   54.831   30.236   54.831   30.236   0.0000   0.0000   62.758   18.219  ?   ?  0.000000 18.21876 
1 1 1   15   34   22 o   53.187   14.098   38.464   19.027   34.117   19.286  197.197  116.554   50.264   14.539  105.793   36.426 -55.52894 39.22004 
1 1 1   15   34   23 o   62.771   13.720   53.442   20.905   56.929   21.242 -54.1130  117.962   64.882   13.548   62.761   29.493 2.120274 32.45575 
1 1 1   15   34   24 f  125.042   11.117  203.122   34.351  191.902   35.677  345.652  127.157  121.151   11.948  141.216   35.962 -20.06454 37.89448 
1 1 1   15   34   25 o   75.891   12.176   76.453   22.295   72.572   22.698  182.865  118.847   73.677   12.801  101.270   36.609 -27.59322 38.78250 
1 1 1   15   34   26 o   69.448   12.590   64.571   21.031   66.119   21.378   18.096  117.132   70.276   12.647   70.720   31.780 -0.4443893 34.20377 
1 1 1   15   34   27 o   65.337   12.841   57.502   20.205   55.036   20.466  152.275  126.880   63.745   13.288   93.667   36.897 -29.92155 39.21690 
1 1 1   15   34   28 o  102.415   16.279  143.657   40.240  150.115   41.755   59.471  150.753  104.592   16.536   80.537   36.132 24.05484 39.73641 
1 1 1   15   34   29 o  145.532   30.004  340.294  105.418   0.0000   0.0000  340.294  105.418  ?   ?   145.532   30.004 0.000000 30.00416 
1 1 1   15   34   30 o  130.755   28.655  271.947   90.981   0.0000   0.0000  271.947   90.981  ?   ?   130.755   28.655 0.000000 28.65518 
1 1 1   15   35    0 o   58.502   20.054   55.597   35.308   58.900   36.476   6.4881  140.665   59.860   20.383   59.742   29.119 0.1178322 35.54420 
1 1 1   15   35    1 o   65.239   31.028   61.512  138.090   0.0000   0.0000   61.512  138.090  ?   ?    65.239   31.028 0.000000 31.02808 
1 1 1   15   35    2 o  103.792   19.238  166.135   48.025  164.123   51.116  181.283  140.233  101.424   20.878   79.796   35.383 21.62824 41.08329 
1 1 1   15   35    3 o   36.276   15.651   4.2515   25.834   3.0708   26.389   31.426  126.600   36.185   15.715   63.950   30.206 -27.76538 34.04893 
1 1 1   15   35    4 o   53.190   18.891   40.750   31.501   42.090   32.573   21.408  123.777   53.899   19.202   63.608   29.990 -9.708771 35.61060 
1 1 1   15   35    6 o  100.127   18.398  147.783   44.306  132.707   46.726  282.162  139.501   92.880   20.677  104.264   39.307 -11.38388 44.41400 
1 1 1   15   35    7 o   51.759   18.433   36.580   30.013   28.125   30.994  163.900  120.271   48.228   18.444   86.654   35.302 -38.42537 39.83039 
1 1 1   15   35    8 o   78.397   19.475   92.099   37.956   92.004   39.898   93.005  123.159   77.818   20.314   75.990   33.452 1.827782 39.13708 
1 1 1   15   35    9 o   53.966   26.166 -89.0210  109.614   0.0000   0.0000 -89.0210  109.614  ?   ?    53.966   26.166 0.000000 26.16643 
1 1 1   15   35   10 o  127.166   18.142  230.385   55.977  263.654   62.100   86.186  129.286  135.492   18.866   77.113   34.094 58.37875 38.96564 
1 1 1   15   35   11 o   69.683   19.580   71.643   35.484   84.705   37.188 -61.1838  118.586   75.768   19.531   59.235   28.333 16.53229 34.41246 
1 1 1   15   35   12 o   65.678   19.093   62.763   33.186   67.997   34.605   2.8395  117.087   68.161   19.401   66.025   30.466 2.135811 36.11848 
1 1 1   15   35   13 o   70.846   19.507   73.374   35.604   73.374   35.604   0.0000   0.0000   70.846   19.507  ?   ?  0.000000 19.50652 
1 1 1   15   35   14 o   36.732   15.351   6.4140   23.533   5.1133   24.028   37.013  116.546   36.534   15.404   71.095   31.842 -34.56098 35.37201 
1 1 1   15   35   15 f   44.703   16.864   22.200   25.687   21.659   26.361   32.381  114.314   44.719   17.032   70.412   31.535 -25.69213 35.84085 
1 1 1   15   35   16 o   64.026   18.842   58.587   32.143   67.836   33.487 -49.8018  114.634   68.651   18.924   60.817   28.731 7.833775 34.40321 
1 1 1   15   35   17 o   41.305   16.130   16.227   24.067   12.999   24.614   86.437  114.794   40.153   16.108   79.378   33.580 -39.22427 37.24410 
1 1 1   15   35   18 o   67.586   30.790   6.8198  114.550   0.0000   0.0000   6.8198  114.550  ?   ?    67.586   30.790 0.000000 30.78965 
1 1 1   15   35   19 o  132.163   16.639  239.421   53.697  248.133   58.944  196.915  130.198  133.488   18.153  100.911   37.988 32.57755 42.10257 
1 1 1   15   35   20 f  118.196   11.851  183.537   34.508  187.096   35.910  140.638  124.678  119.151   12.243   90.037   36.207 29.11339 38.22092 
1 1 1   15   35   21 o   64.948   13.748   57.560   21.603   52.199   21.927  235.033  126.160   61.560   14.502  110.101   37.898 -48.54163 40.57775 
1 1 1   15   35   22 o   75.437   18.155   80.988   33.787   80.988   33.787   0.0000   0.0000   75.437   18.155  ?   ?  0.000000 18.15516 
1 1 1   15   35   23 o  144.596   11.686  273.659   41.834  286.378   43.906  148.329  137.821  147.752   12.004   91.286   37.558 56.46598 39.42966 
1 1 1   15   35   24 o   84.536   12.214   95.014   25.036   95.487   25.505   82.523  131.153   84.659   12.435   80.380   34.971 4.279739 37.11579 
1 1 1   15   35   25 o   68.367   18.060   66.649   31.293   65.535   32.323   83.296  124.947   67.653   18.569   79.776   34.420 -12.12239 39.10923 
1 1 1   15   35   26 o  138.747   11.423  251.843   39.227  244.376   40.811  342.469  142.175  136.276   12.119  130.606   39.909 5.670593 41.70852 
1 1 1   15   35   27 o   35.900   12.717   15.166   14.267   11.864   14.408  182.114  102.455   33.797   12.654  100.042   34.161 -66.24557 36.42933 
1 1 1   15   35   28 o  102.154   34.317  191.367  103.377   0.0000   0.0000  191.367  103.377  ?   ?   102.154   34.317 0.000000 34.31722 
1 1 1   15   35   29 o   89.055   33.119  139.055   98.377   0.0000   0.0000  139.055   98.377  ?   ?    89.055   33.119 0.000000 33.11932 
1 1 1   15   36    0 o   90.043   20.989  140.274   46.322  139.123   48.469  152.412  157.383   88.158   22.068   65.906   31.809 22.25255 38.71423 
1 1 1   15   36    1 o   37.443   16.336   6.2624   28.796   9.6028   29.423 -69.6905  140.298   38.765   16.714   53.021   26.427 -14.25615 31.26895 
1 1 1   15   36    2 o  115.229   20.120  214.638   55.789  216.153   59.992  204.952  151.708  113.111   22.031   75.513   34.784 37.59856 41.17456 
1 1 1   15   36    3 o   75.995   21.067   96.923   41.369  104.582   43.218   13.078  142.990   78.694   21.419   60.604   29.499 18.08958 36.45514 
1 1 1   15   36    4 o   75.395   34.586  163.866  147.870   0.0000   0.0000  163.866  147.870  ?   ?    75.395   34.586 0.000000 34.58592 
1 1 1   15   36    5 o  106.604   19.842  177.154   50.878  197.457   54.322   32.069  145.213  112.389   20.093   64.390   30.944 47.99878 36.89549 
1 1 1   15   36    6 o   38.305   16.197   8.8391   26.684   8.8391   26.684   0.0000   0.0000   38.305   16.197  ?   ?  0.000000 16.19668 
1 1 1   15   36    7 o   31.147   13.972  -5.4368   22.535  -1.6921   22.906 -118.3184  125.762   32.605   14.386   52.638   26.025 -20.03331 29.73664 
1 1 1   15   36    8 o   90.617   19.121  124.441   41.909  129.029   44.376   86.590  127.461   91.587   19.966   71.735   32.602 19.85210 38.22980 
1 1 1   15   36    9 o   80.610   20.177  100.430   40.521  123.905   42.785 -103.9269  126.235   90.379   19.527   54.630   26.827 35.74815 33.18134 
1 1 1   15   36   10 f   46.018   17.783   24.640   29.020   26.166   29.946   1.1219  117.563   46.945   18.086   62.506   29.395 -15.56062 34.51397 
1 1 1   15   36   11 o   36.252   15.633   2.8815   25.751   1.1145   26.340   41.056  122.431   36.005   15.668   68.181   31.348 -32.17552 35.04585 
1 1 1   15   36   12 f   39.403   16.131   11.860   25.265   12.480   25.833  -1.7839  121.124   39.934   16.325   63.790   29.947 -23.85650 34.10813 
1 1 1   15   36   13 o   77.737   19.421   90.306   37.592  103.642   39.469 -39.9899  123.369   83.491   19.314   60.865   29.053 22.62592 34.88745 
1 1 1   15   36   14 o   47.920   17.530   28.954   27.368   28.703   28.069   33.787  123.237   47.988   17.722   68.986   31.620 -20.99817 36.24715 
1 1 1   15   36   15 o   33.455   14.440   1.0296   22.006   3.8501   22.359 -86.3443  124.444   34.749   14.766   57.740   27.968 -22.99162 31.62711 
1 1 1   15   36   16 o   79.865   18.579   93.096   36.354   93.761   37.983   85.835  125.505   79.738   19.286   76.887   33.810 2.851189 38.92392 
1 1 1   15   36   17 f   64.201   18.253   59.844   30.649   54.500   31.611  143.720  125.237   61.347   18.830   86.533   35.725 -25.18615 40.38375 
1 1 1   15   36   18 o   98.487   17.443  137.495   41.330  136.665   43.683  144.582  127.653   97.387   18.641   86.979   36.001 10.40768 40.54121 
1 1 1   15   36   19 f   90.421   36.876  163.270  131.403   0.0000   0.0000  163.270  131.403  ?   ?    90.421   36.876 0.000000 36.87575 
1 1 1   15   36   20 o   87.451   18.472  110.273   39.075  128.075   41.044 -62.0034  127.684   94.723   18.010   61.276   29.333 33.44704 34.42078 
1 1 1   15   36   21 o   76.042   12.942   78.294   23.696   78.072   24.094   84.830  130.882   75.816   13.206   78.279   34.472 -2.463074 36.91500 
1 1 1   15   36   22 o  101.290   12.038  136.350   29.853  150.811   30.666 -125.6034  130.518  106.761   11.694   56.955   27.823 49.80590 30.18103 
1 1 1   15   36   23 o   87.950   12.371  103.517   26.420  104.663   26.949   75.198  133.941   88.352   12.569   77.318   34.417 11.03465 36.64000 
1 1 1   15   36   24 f   41.154   13.481   22.064   15.980   23.147   16.102 -48.8344  130.296   41.935   13.518   63.106   30.049 -21.17117 32.95000 
1 1 1   15   36   25 o   54.180   13.321   40.427   17.896   39.132   18.139   87.924  109.844   53.246   13.594   77.279   32.779 -24.03316 35.48634 
1 1 1   15   36   26 f  142.387   16.834  281.607   58.696  283.317   63.941  272.445  147.988  141.342   18.565  109.498   40.641 31.84316 44.68033 
1 1 1   15   36   27 o  150.001   10.512  293.472   39.125  273.209   41.610  448.079  114.937  143.994   11.672  165.456   28.868 -21.46182 31.13852 
1 1 1   15   36   28 o   98.475   34.665  188.042  105.850   0.0000   0.0000  188.042  105.850  ?   ?    98.475   34.665 0.000000 34.66537 
1 1 1   15   37    0 o   69.614   21.427   93.873   40.897   93.873   40.897   0.0000   0.0000   69.614   21.427  ?   ?  0.000000 21.42669 
1 1 1   15   37    1 o   57.473   20.009   59.626   35.216   63.613   36.121 -16.9225  158.275   59.018   20.281   53.243   26.758 5.774689 33.57512 
1 1 1   15   37    2 o   33.247   14.884  -0.6159   25.433  -2.3052   25.798   57.779  151.676   32.950   14.850   58.322   28.787 -25.37169 32.39187 
1 1 1   15   37    3 o   55.114   27.413 -22.8332  147.743   0.0000   0.0000 -22.8332  147.743  ?   ?    55.114   27.413 0.000000 27.41315 
1 1 1   15   37    5 f   74.761   20.218   93.250   38.655   93.289   40.034   92.718  148.586   74.186   20.781   65.364   31.383 8.821823 37.63965 
1 1 1   15   37    6 o   49.651   18.374   35.879   30.206   35.576   30.925   42.183  140.905   49.604   18.545   62.477   30.140 -12.87282 35.38822 
1 1 1   15   37    7 o   65.196   19.770   68.792   34.987   75.106   36.225 -18.8772  134.981   67.933   20.005   58.435   28.491 9.497959 34.81317 
1 1 1   15   37    8 o   31.386   14.137  -5.7186   23.334 -12.2356   23.695  203.179  134.155   29.787   13.731   83.047   35.749 -53.26022 38.29480 
1 1 1   15   37    9 o   39.480   16.259   13.210   25.860   13.628   26.390   3.1173  129.654   39.878   16.424   61.140   29.345 -21.26293 33.62834 
1 1 1   15   37   10 o   63.213   19.522   62.385   33.915   72.511   35.105 -79.4937  131.408   67.967   19.602   55.759   27.379 12.20806 33.67288 
1 1 1   15   37   11 o   38.279   15.840   10.965   24.702   7.9003   25.187   88.231  126.471   37.354   15.762   71.136   32.386 -33.78138 36.01753 
1 1 1   15   37   12 o   84.610   36.165  181.746  135.547   0.0000   0.0000  181.746  135.547  ?   ?    84.610   36.165 0.000000 36.16485 
1 1 1   15   37   13 o   47.060   17.320   28.774   26.773   27.472   27.386   56.907  127.297   46.607   17.446   68.836   31.764 -22.22874 36.23972 
1 1 1   15   37   14 o   35.153   14.820   5.9200   22.233   4.9628   22.595   35.036  124.618   34.995   14.856   66.686   30.999 -31.69153 34.37520 
1 1 1   15   37   15 o   38.894   15.573   13.746   22.958   12.107   23.324   64.669  130.007   38.359   15.578   71.023   32.525 -32.66363 36.06280 
1 1 1   15   37   16 o   41.859   16.195   19.028   24.090   19.028   24.090   0.0000   0.0000   41.859   16.195  ?   ?  0.000000 16.19510 
1 1 1   15   37   17 o   46.794   16.800   28.435   24.979   24.472   25.455  131.368  129.723   44.973   16.823   80.908   34.989 -35.93531 38.82366 
1 1 1   15   37   18 o   66.155   19.168   65.517   33.498   89.656   34.680 -270.6712  129.421   78.054   18.138   47.079   23.729 30.97475 29.86718 
1 1 1   15   37   19 o   95.618   17.752  132.161   40.827  133.416   42.882  120.004  133.495   95.410   18.667   80.059   35.045 15.35010 39.70684 
1 1 1   15   37   20 o   94.686   38.226  211.667  139.566   0.0000   0.0000  211.667  139.566  ?   ?    94.686   38.226 0.000000 38.22618 
1 1 1   15   37   21 o   82.802   13.638   94.069   27.218  100.273   27.758 -60.5185  138.560   85.659   13.417   61.831   29.843 23.82750 32.72083 
1 1 1   15   37   22 o   74.568   13.043   76.005   23.404   78.551   23.765  -5.7098  134.639   75.848   13.016   66.083   31.193 9.765793 33.80006 
1 1 1   15   37   23 o   36.965   13.178   16.430   15.342   14.122   15.489  136.246  111.595   35.556   13.158   83.932   34.077 -48.37554 36.52943 
1 1 1   15   37   24 o   64.030   13.212   56.515   20.424   57.058   20.751   39.717  115.443   64.279   13.363   68.623   31.126 -4.343803 33.87307 
1 1 1   15   37   25 o   67.377   12.822   62.127   20.784   61.546   21.144   78.772  113.176   66.924   13.121   73.972   32.327 -7.047531 34.88855 
1 1 1   15   37   26 o  130.041   11.133  223.266   35.804  204.667   37.602  403.913  117.188  123.716   12.336  149.700   32.296 -25.98389 34.57212 
1 1 1   15   37   27 o   60.991   29.523 -71.3098  138.079   0.0000   0.0000 -71.3098  138.079  ?   ?    60.991   29.523 0.000000 29.52313 
1 1 1   15   38    2 o   37.942   16.570   12.028   29.687   11.865   30.163   17.095  167.771   38.047   16.656   52.040   26.324 -13.99352 31.15088 
1 1 1   15   38    3 o   28.033   13.150 -13.8506   23.272 -13.8506   23.272   0.0000   0.0000   28.033   13.150  ?   ?  0.000000 13.14983 
1 1 1   15   38    4 o   29.282   13.542  -9.7297   23.327  -6.0163   23.617 -158.1837  149.321   30.459   13.916   47.236   23.994 -16.77695 27.73745 
1 1 1   15   38    5 f   52.206   26.190 -56.9247  148.304   0.0000   0.0000 -56.9247  148.304  ?   ?    52.206   26.190 0.000000 26.19005 
1 1 1   15   38    6 o   87.551   20.680  131.684   44.492  145.167   46.442 -18.8161  155.156   92.121   20.694   55.629   27.737 36.49214 34.60618 
1 1 1   15   38    7 o   52.449   18.778   43.789   31.187   47.195   31.923 -27.5530  146.107   53.979   19.033   55.637   27.604 -1.657932 33.52946 
1 1 1   15   38    8 o   38.109   15.977   11.869   25.613   12.219   26.043   1.5312  141.578   38.423   16.110   58.043   28.484 -19.62046 32.72437 
1 1 1   15   38    9 o   55.541   19.088   48.998   31.997   48.998   31.997   0.0000   0.0000   55.541   19.088  ?   ?  0.000000 19.08763 
1 1 1   15   38   10 o   87.566   19.877  123.280   42.470  135.333   44.497  -0.0358  142.331   91.791   19.979   59.815   29.184 31.97581 35.36819 
1 1 1   15   38   11 o   68.602   19.343   75.323   34.567   72.989   35.646  112.137  141.564   67.130   19.866   70.066   32.726 -2.936630 38.28422 
1 1 1   15   38   12 o   57.642   18.489   51.335   30.148   45.616   30.895  165.363  137.951   54.761   18.759   77.326   34.637 -22.56524 39.39023 
1 1 1   15   38   13 o   56.514   27.684 -59.2530  131.886   0.0000   0.0000 -59.2530  131.886  ?   ?    56.514   27.684 0.000000 27.68402 
1 1 1   15   38   14 o   73.459   18.999   83.791   35.112   81.575   36.248  117.509  141.393   71.990   19.625   73.408   33.728 -1.418213 39.02213 
1 1 1   15   38   15 o   46.484   17.064   28.650   25.965   23.786   26.427  164.103  139.467   44.328   17.013   79.958   35.379 -35.63020 39.25660 
1 1 1   15   38   16 o   55.433   18.031   45.615   28.605   41.230   29.231  144.675  138.929   53.219   18.247   78.201   34.913 -24.98205 39.39359 
1 1 1   15   38   17 o   45.029   16.705   25.787   24.997   25.787   24.997   0.0000   0.0000   45.029   16.705  ?   ?  0.000000 16.70475 
1 1 1   15   38   18 o   43.930   16.665   23.242   25.174   22.469   25.604   45.672  137.949   43.709   16.753   68.085   31.962 -24.37578 36.08669 
1 1 1   15   38   19 o  111.287   19.243  185.520   51.542  218.958   55.197 -42.1640  144.033  121.490   18.801   61.643   29.913 59.84682 35.33072 
1 1 1   15   38   20 o  132.620   17.833  256.010   57.562  283.298   62.261   95.445  151.027  138.964   18.394   74.511   34.458 64.45315 39.05997 
1 1 1   15   38   21 o   96.144   17.438  134.736   40.325  132.364   42.631  154.902  124.309   94.220   18.778   82.957   35.011 11.26390 39.72886 
1 1 1   15   38   22 o  104.070   12.054  146.100   30.746  150.609   31.707   75.085  125.825  105.549   12.258   71.573   32.476 33.97659 34.71192 
1 1 1   15   38   23 o   82.651   12.950   93.716   25.850  101.249   26.467 -62.3153  120.455   86.112   12.688   56.976   27.578 29.13607 30.35710 
1 1 1   15   38   24 o   49.898   16.621   34.848   24.253   35.848   24.448 -27.0194  192.338   50.475   16.682   68.459   33.513 -17.98383 37.43573 
1 1 1   15   38   25 o  120.074   11.794  193.336   34.909  201.395   36.442  103.577  121.618  122.364   12.084   75.404   33.217 46.95943 35.34641 
1 1 1   15   38   26 o   67.879   30.690   54.795  111.196   0.0000   0.0000   54.795  111.196  ?   ?    67.879   30.690 0.000000 30.69004 
1 1 1   15   39    5 o   49.034   18.625   41.936   31.467   44.237   32.084 -16.2220  161.291   49.950   18.846   50.622   25.630 -0.6717834 31.81271 
1 1 1   15   39    6 o   43.319   22.205 -276.6892  155.313   0.0000   0.0000 -276.6892  155.313  ?   ?    43.319   22.205 0.000000 22.20468 
1 1 1   15   39    7 o   34.734   15.290   4.7587   25.728   7.2145   26.067 -87.7177  159.962   35.678   15.555   50.361   25.500 -14.68242 29.87028 
1 1 1   15   39    8 o   69.456   20.282   85.977   37.373   88.420   38.546   47.664  152.649   70.041   20.639   57.171   28.339 12.87022 35.05767 
1 1 1   15   39    9 o   43.824   17.316   25.993   28.026   26.424   28.521   13.906  151.016   44.102   17.455   56.462   28.021 -12.36053 33.01333 
1 1 1   15   39   10 o   44.175   17.281   26.367   27.665   26.367   27.665   0.0000   0.0000   44.175   17.281  ?   ?  0.000000 17.28142 
1 1 1   15   39   11 o   69.640   19.701   81.536   35.797   86.445   36.855  -0.3322  150.508   71.586   19.899   57.625   28.487 13.96058 34.74850 
1 1 1   15   39   12 o   65.784   19.568   71.952   34.518   75.284   35.474   12.602  149.714   67.102   19.807   59.218   29.107 7.883358 35.20735 
1 1 1   15   39   13 o   40.277   16.097   18.030   24.476   19.379   24.848 -25.9419  141.892   40.994   16.271   57.015   28.085 -16.02148 32.45789 
1 1 1   15   39   14 o   55.581   27.538 -63.3309  143.578   0.0000   0.0000 -63.3309  143.578  ?   ?    55.581   27.538 0.000000 27.53831 
1 1 1   15   39   15 o   61.308   29.866   13.101  147.415   0.0000   0.0000   13.101  147.415  ?   ?    61.308   29.866 0.000000 29.86604 
1 1 1   15   39   16 o   51.627   18.121   39.692   28.911   42.967   29.478 -42.9181  148.051   53.241   18.319   58.289   28.708 -5.047756 34.05496 
1 1 1   15   39   17 o   54.685   17.801   45.448   27.878   40.375   28.349  194.228  153.529   52.077   17.963   78.873   35.821 -26.79542 40.07215 
1 1 1   15   39   18 o   87.495   18.703  118.083   39.626  117.047   40.093  161.822  260.471   86.805   19.021   73.475   36.522 13.33018 41.17822 
1 1 1   15   39   19 o   89.010   18.150  120.386   38.975  124.005   40.762   81.802  133.093   89.806   18.780   68.504   31.908 21.30195 37.02422 
1 1 1   15   39   20 o   40.085   15.563   18.052   22.308   19.603   22.660 -30.7160  127.076   40.959   15.746   58.073   28.161 -17.11394 32.26439 
1 1 1   15   39   21 o   26.082   11.837  -7.0255   16.725  -8.5085   16.879   72.922  123.931   25.716   11.756   67.847   31.319 -42.13027 33.45265 
1 1 1   15   39   22 o   46.306   16.520   29.257   24.116   29.004   24.577   35.802  125.030   46.260   16.659   64.130   30.207 -17.87032 34.49591 
1 1 1   15   39   23 o   52.429   14.242   39.529   19.130   41.765   19.361 -52.5081  124.202   53.893   14.191   56.422   27.470 -2.528503 30.91890 
1 1 1   15   39   24 o   49.485   14.225   35.055   18.514   33.737   18.733   90.447  121.455   48.578   14.407   70.317   31.906 -21.73973 35.00826 
1 1 1   15   39   25 o   60.917   30.051 -62.4921  164.481   0.0000   0.0000 -62.4921  164.481  ?   ?    60.917   30.051 0.000000 30.05143 
1 1 1   15   40    9 o   48.092   24.490 -112.7159  162.918   0.0000   0.0000 -112.7159  162.918  ?   ?    48.092   24.490 0.000000 24.48993 
1 1 1   15   40   10 o   52.843   26.562  -0.0788  156.366   0.0000   0.0000  -0.0788  156.366  ?   ?    52.843   26.562 0.000000 26.56206 
1 1 1   15   40   11 o   63.588   20.598   74.653   37.350   74.653   37.350   0.0000   0.0000   63.588   20.598  ?   ?  0.000000 20.59835 
1 1 1   15   40   12 o  101.330   19.728  173.661   48.124  179.594   50.340  110.705  163.986  102.051   20.466   60.668   29.943 41.38292 36.26881 
1 1 1   15   40   13 o   89.569   20.208  137.198   44.124  151.305   45.888 -35.8672  160.723   94.426   20.078   54.306   27.247 40.11996 33.84562 
1 1 1   15   40   14 f   57.113   18.418   54.015   29.888   49.154   30.582  157.452  141.066   54.570   18.664   67.318   31.823 -12.74808 36.89238 
1 1 1   15   40   15 o   58.238   28.842   17.251  156.831   0.0000   0.0000   17.251  156.831  ?   ?    58.238   28.842 0.000000 28.84187 
1 1 1   15   40   16 o   54.065   18.147   46.769   28.906   48.598   29.534   5.1741  140.834   54.913   18.343   57.314   28.183 -2.400391 33.62688 
1 1 1   15   40   17 o   88.855   19.205  127.674   41.371  135.569   43.217   41.150  143.066   91.263   19.552   60.432   29.436 30.83067 35.33751 
1 1 1   15   40   18 o   42.758   16.284   23.982   24.097   23.804   24.465   29.747  139.352   42.764   16.379   59.977   29.177 -17.21261 33.46054 
1 1 1   15   40   19 o   38.923   15.499   16.584   22.613   15.068   22.706  200.697  250.181   38.285   15.432   69.896   34.909 -31.61090 38.16780 
1 1 1   15   40   20 o   38.889   15.330   16.954   21.915   18.306   22.221 -31.2006  132.597   39.640   15.493   55.969   27.486 -16.32908 31.55208 
1 1 1   15   40   21 o   38.425   15.116   16.407   21.270   14.937   21.550   71.702  132.172   37.846   15.111   64.308   30.518 -26.46146 34.05474 
1 1 1   15   40   22 o   79.755   17.687   98.345   34.303   88.342   35.546  233.933  130.870   74.223   19.074   84.874   35.877 -10.65107 40.63277 
1 1 1   15   40   23 o   54.408   17.690   45.661   27.533   47.803   28.221   3.3007  125.491   55.475   17.898   58.377   28.231 -2.902065 33.42616 
1 1 1   15   40   24 o   71.521   32.514  132.831  126.903   0.0000   0.0000  132.831  126.903  ?   ?    71.521   32.514 0.000000 32.51437 
1 1 1   15   40   25 o   51.534   25.825 -142.9308  142.276   0.0000   0.0000 -142.9308  142.276  ?   ?    51.534   25.825 0.000000 25.82487 
1 1 1   15   41   15 o   67.677   19.255   80.901   34.093   72.660   35.044  226.686  147.389   63.171   19.899   67.360   32.043 -4.189075 37.71869 
1 1 1   15   41   16 o   54.787   27.562   8.8505  170.155   0.0000   0.0000   8.8505  170.155  ?   ?    54.787   27.562 0.000000 27.56239 
1 1 1   15   41   17 o   85.276   20.350  127.257   42.732  148.022   44.579 -107.7987  149.988   93.086   19.787   49.541   25.039 43.54512 31.91413 
1 1 1   15   41   18 o   45.303   17.005   30.568   26.053   31.947   26.495  -9.6962  143.165   45.994   17.171   53.969   26.867 -7.974892 31.88545 
1 1 1   15   41   19 o   44.181   16.622   28.218   24.922   22.236   25.300  223.574  144.583   41.530   16.439   71.883   33.407 -30.35354 37.23238 
1 1 1   15   41   20 o   25.976   11.963  -8.8220   17.931  -9.6940   17.980  150.207  242.804   25.753   11.902   62.924   31.810 -37.17178 33.96404 
1 1 1   15   41   21 o   37.921   15.293   15.765   22.313   18.434   22.619 -80.9931  136.209   39.232   15.539   50.820   25.438 -11.58791 29.80821 
1 1 1   16  -26    0 o   48.285   21.728  -3.3657   54.980 -67.8936  136.902   9.0428   60.034   61.096   29.531   52.457   23.211 8.638916 37.56074 
1 1 1   16  -26    1 o   56.325   24.250   27.022   61.754   0.0000   0.0000   27.022   61.754  ?   ?    56.325   24.250 0.000000 24.25013 
1 1 1   16  -25    0 o   36.916   17.816 -61.2793   49.346 -114.5060  129.535 -52.2435   53.371   57.672   28.073   40.050   19.115 17.62173 33.96295 
1 1 1   16  -25    1 o   72.571   25.995   82.287   59.771   92.159  137.170   79.973   66.407   78.960   35.004   72.008   27.126 6.952293 44.28413 
1 1 1   16  -25    2 o   59.399   24.476   39.844   58.644   79.070  140.077   31.508   64.576   76.341   34.487   58.693   25.021 17.64807 42.60796 
1 1 1   16  -25    3 o   87.343   26.979  130.710   64.774  202.847  146.077  113.055   72.267   92.080   38.345   80.252   28.601 11.82809 47.83630 
1 1 1   16  -24    0 o  106.347   24.676  171.640   64.267  275.424  135.736  141.652   72.963  118.367   39.316   93.706   28.581 24.66065 48.60648 
1 1 1   16  -24    1 o   92.623   25.708  134.590   61.565  153.562  136.689  129.763   68.955   91.545   37.504   89.532   27.866 2.012451 46.72299 
1 1 1   16  -24    2 o   79.831   26.096  100.938   59.890  171.710  133.058   82.957   67.068   93.406   37.459   73.809   27.366 19.59677 46.39101 
1 1 1   16  -24    3 o   61.564   24.451   47.323   56.141   39.489  134.785   48.967   61.753   72.630   33.208   63.041   25.435 9.589760 41.82983 
1 1 1   16  -24    4 o   52.930   22.793   17.442   54.577   17.832  132.864   17.362   59.861   69.006   32.054   54.492   23.667 14.51401 39.84481 
1 1 1   16  -24    5 o   40.360   19.159 -42.7237   52.165 -82.8288  128.084 -34.7486   57.117   58.172   28.224   43.634   20.510 14.53864 34.88919 
1 1 1   16  -23    0 o   81.534   17.197   91.799   33.913   85.238   53.818   96.120   43.674   76.634   24.716   81.844   21.199 -5.210533 32.56196 
1 1 1   16  -23    1 o   75.158   17.866   79.185   33.039   61.324   51.366   91.789   43.149   67.200   24.095   79.625   21.289 -12.42490 32.15305 
1 1 1   16  -23    2 o   87.273   25.735  117.125   59.913   85.114  128.742  125.974   67.689   81.860   35.124   89.471   27.570 -7.610245 44.65215 
1 1 1   16  -23    3 o   33.341   16.318 -76.3597   45.535 -107.6879  117.599 -70.8341   49.388   56.448   27.305   35.999   17.480 20.44907 32.42082 
1 1 1   16  -23    4 o   55.047   23.039   24.506   53.113 -108.1323  125.543   53.422   58.617   57.754   28.003   64.383   25.164 -6.629051 37.64812 
1 1 1   16  -23    5 o   55.386   23.187   26.448   53.819 -72.0096  125.973   48.432   59.525   60.167   28.890   62.626   25.076 -2.458866 38.25503 
1 1 1   16  -23    6 o   55.786   23.590   26.482   56.609   75.143  127.995   14.649   63.118   75.613   33.652   54.949   24.074 20.66464 41.37684 
1 1 1   16  -23    7 o   74.389   26.654   90.822   62.846  182.067  136.540   66.296   70.790   90.441   37.317   67.683   27.259 22.75797 46.21299 
1 1 1   16  -22    0 o   71.645   18.118   70.743   32.435   45.899   51.591   86.980   41.709   63.188   23.884   78.718   20.877 -15.53022 31.72191 
1 1 1   16  -22    1 o   73.956   17.680   75.510   32.209   46.543   50.714   95.093   41.698   62.882   23.701   82.159   20.414 -19.27621 31.28100 
1 1 1   16  -22    2 o  105.437   14.128  147.460   36.263  165.279   56.703  135.127   47.171  107.736   21.824   98.158   19.925 9.577866 29.55158 
1 1 1   16  -22    3 o   69.576   18.116   67.867   31.784   68.275   48.752   67.565   41.916   69.678   23.566   69.029   21.765 0.6497803 32.07907 
1 1 1   16  -22    4 o   50.600   21.878   7.1928   50.694   33.301  118.785   1.3786   56.056   73.124   32.488   51.366   22.592 21.75750 39.57056 
1 1 1   16  -22    5 o   52.927   22.404   17.140   51.147   98.281  118.683  -1.3667   56.681   82.265   34.436   50.694   22.486 31.57180 41.12714 
1 1 1   16  -22    6 o   47.578   21.170  -3.2632   50.625   71.887  119.368 -19.7451   55.902   76.782   33.384   46.529   21.315 30.25270 39.60859 
1 1 1   16  -22    7 o   37.972   18.330 -64.0359   52.306   27.853  122.343 -84.5890   57.861   69.985   31.858   38.105   18.595 31.88007 36.88805 
1 1 1   16  -22    8 o   39.741   18.984 -51.3032   52.887 -160.7142  122.874 -26.4249   58.592   52.346   25.851   45.890   21.307 6.456379 33.50019 
1 1 1   16  -22    9 o   48.774   21.931  -2.5482   55.880 -82.0956  130.391   15.349   61.847   58.825   28.526   54.292   23.808 4.532448 37.15544 
1 1 1   16  -21    0 o   65.803   20.773   57.816   38.174   36.523   56.213   76.041   52.004   62.263   24.549   74.848   24.310 -12.58506 34.54913 
1 1 1   16  -21    1 o  121.220   13.932  191.842   41.405   52.089   69.195  269.795   51.679   69.863   27.331  143.709   14.603 -73.84669 30.98737 
1 1 1   16  -21    2 o   93.796   15.359  117.290   34.729  121.674   55.424  114.456   44.563   92.174   23.884   90.765   20.183 1.408981 31.27027 
1 1 1   16  -21    3 o   76.756   17.583   81.029   32.979   58.555   51.159   97.008   43.138   67.279   24.055   82.957   20.848 -15.67790 31.83198 
1 1 1   16  -21    4 o  137.725   12.399  246.875   42.186  158.400   63.689  316.037   56.311  103.777   24.895  154.710   14.754 -50.93226 28.93904 
1 1 1   16  -21    5 f   74.291   17.782   77.023   32.550   91.716   48.366   64.859   44.007   79.290   23.049   68.056   22.376 11.23466 32.12414 
1 1 1   16  -21    6 o   39.882   17.743  -7.1650   35.544  -7.5619  114.721  -7.1228   37.383   66.984   30.630   40.909   18.198 26.07475 35.62842 
1 1 1   16  -21    7 o   52.973   22.413   17.189   51.146   62.630  114.364   5.8288   57.183   75.953   32.850   52.443   22.947 23.51061 40.07086 
1 1 1   16  -21    8 o   46.897   21.248 -12.7423   53.620 -48.8044  120.777  -3.8895   59.841   62.066   29.373   51.029   22.838 11.03682 37.20675 
1 1 1   16  -21    9 o   88.354   26.289  126.259   62.295  269.469  128.419   82.190   71.238  114.053   38.249   73.448   27.993 40.60487 47.39808 
1 1 1   16  -21   10 o   54.752   23.367   22.281   56.435  -9.7964  123.324   30.778   63.471   64.891   30.385   58.578   24.885 6.313286 39.27513 
1 1 1   16  -21   11 o   72.810   26.321   85.898   61.435   57.682  132.823   93.577   69.293   72.529   33.085   74.989   27.814 -2.460449 43.22333 
1 1 1   16  -20    0 o  220.137   11.689  617.438   64.029  444.025   95.651  758.237   86.188  182.204   21.432  242.851   14.275 -60.64714 25.75065 
1 1 1   16  -20    1 o  149.100   11.996  284.891   44.288  183.149   68.655  357.402   57.959  114.440   24.744  166.339   14.086 -51.89895 28.47259 
1 1 1   16  -20    2 o  110.209   16.941  161.436   45.131  193.429   65.547  132.597   62.233  118.124   23.048   96.607   25.444 21.51738 34.33087 
1 1 1   16  -20    3 o  198.988   15.164  516.003   74.785  472.208  105.893  559.584  105.633  185.103   23.434  203.415   21.102 -18.31242 31.53480 
1 1 1   16  -20    4 o   48.006   18.073   23.980   29.471 -12.0642   46.237   48.643   38.246   45.147   20.150   61.394   20.872 -16.24683 29.01142 
1 1 1   16  -20    5 o   53.109   18.508   34.910   30.133   74.204   46.102   5.6022   39.815   72.885   22.802   46.190   19.668 26.69547 30.11232 
1 1 1   16  -20    6 o   66.820   18.043   61.881   30.812   98.525   45.863   31.736   41.598   82.967   21.838   55.084   21.290 27.88269 30.49892 
1 1 1   16  -20    7 o  156.841   11.819  319.444   45.950  277.932   68.021  354.286   62.318  141.479   19.795  163.032   15.493 -21.55312 25.13748 
1 1 1   16  -20    8 o  110.294   18.276  168.990   48.574  222.359  129.681  160.281   52.387  109.031   38.371  106.001   20.533 3.029724 43.51915 
1 1 1   16  -20    9 o  109.285   24.788  181.648   66.093  322.168  128.315  130.902   77.109  131.736   37.311   89.517   29.628 42.21934 47.64366 
1 1 1   16  -20   10 o   63.114   24.708   50.051   56.584   91.408  116.016   37.143   64.816   79.619   33.725   61.412   25.555 18.20714 42.31346 
1 1 1   16  -20   11 o   76.913   26.514   94.018   61.762  134.577  123.667   80.539   71.290   86.051   35.511   72.926   27.953 13.12511 45.19304 
1 1 1   16  -20   12 o   35.230   17.254 -80.9353   51.155 -129.4921  117.255 -69.5208   56.851   53.034   26.005   39.137   18.944 13.89715 32.17379 
1 1 1   16  -20   13 o   62.559   26.000   48.103   66.977   0.0000   0.0000   48.103   66.977  ?   ?    62.559   26.000 0.000000 26.00047 
1 1 1   16  -19    0 o  159.159   11.638  322.504   45.933  292.140   71.276  344.071   60.070  148.791   19.665  163.450   14.880 -14.65915 24.66004 
1 1 1   16  -19    1 o   46.125   17.577   19.957   28.083   57.176   47.446  -0.1129   34.841   67.729   23.245   42.551   18.265 25.17807 29.56273 
1 1 1   16  -19    2 f   41.375   17.012   8.2809   28.251 -34.9707   46.492   33.601   35.572   41.157   19.063   54.943   20.003 -13.78630 27.63178 
1 1 1   16  -19    3 o   52.826   18.273   33.603   29.347   30.286   47.712   35.621   37.220   57.887   22.681   56.200   20.461 1.687801 30.54634 
1 1 1   16  -19    4 o   77.374   20.483   82.236   40.198   42.674   58.620  117.354   55.230   64.997   25.231   91.446   23.914 -26.44878 34.76316 
1 1 1   16  -19    5 o  146.618   15.343  281.424   55.343  241.634   78.115  321.524   78.419  131.051   24.777  153.923   20.946 -22.87175 32.44445 
1 1 1   16  -19    6 o  197.520   11.394  500.168   55.963  480.579   83.846  515.907   75.154  190.046   17.877  198.588   15.272 -8.541351 23.51239 
1 1 1   16  -19    7 o  152.359   11.825  299.662   44.639  334.104   68.112  273.729   59.102  157.937   17.567  143.199   16.850 14.73857 24.34211 
1 1 1   16  -19    8 o   62.886   18.415   54.467   30.770  104.680   44.703   9.2548   42.418   85.821   21.025   48.243   20.411 37.57827 29.30270 
1 1 1   16  -19    9 o   39.125   16.438   5.8306   27.201   1.5040   37.046   10.892   40.068   43.214   18.693   47.398   19.934 -4.184341 27.32742 
1 1 1   16  -19   10 o   98.062   19.717  136.553   46.609   41.945  117.334  154.279   50.788   74.148   32.647  104.045   20.276 -29.89626 38.43084 
1 1 1   16  -19   11 o   98.329   25.494  149.789   63.122  144.926  120.084  151.645   74.199   90.922   35.870   96.535   28.684 -5.612846 45.92839 
1 1 1   16  -19   12 o  106.119   25.334  175.791   66.207  245.372  126.339  149.449   77.735  110.402   37.929   94.069   29.638 16.33275 48.13525 
1 1 1   16  -19   13 o   95.515   25.752  146.475   62.824  316.622  126.818   91.140   72.322  125.762   37.529   75.784   28.355 49.97788 47.03665 
1 1 1   16  -19   14 o   51.092   23.163  -5.9158   63.839   0.0000   0.0000  -5.9158   63.839  ?   ?    51.092   23.163 0.000000 23.16290 
1 1 1   16  -18    0 f  189.243   17.568  463.361   82.077  366.050  133.627  522.316  104.010  160.321   34.407  199.484   21.204 -39.16249 40.41611 
1 1 1   16  -18    1 o   80.157   16.480   85.166   31.886   59.191   51.086  101.744   40.813   69.592   24.107   87.118   19.271 -17.52638 30.86260 
1 1 1   16  -18    2 o  261.877   11.944  868.922   78.108  763.339  114.712  960.188  106.650  242.043   19.135  273.436   15.685 -31.39247 24.74149 
1 1 1   16  -18    3 o   95.039   14.723  118.001   33.812  142.698   54.847  102.862   42.942  102.388   22.099   87.188   20.131 15.20016 29.89331 
1 1 1   16  -18    4 o   78.939   16.497   83.152   31.473   45.580   50.678  106.741   40.155   64.170   23.789   89.074   18.650 -24.90444 30.22868 
1 1 1   16  -18    5 o   88.509   15.891  103.877   33.831   88.888   54.109  113.498   43.349   80.548   24.622   91.457   19.572 -10.90860 31.45283 
1 1 1   16  -18    6 o   95.326   18.542  122.744   42.550  153.497   61.099   93.785   59.291  104.723   23.892   82.303   25.876 22.41995 35.21948 
1 1 1   16  -18    7 o  159.504   15.057  332.041   59.265  358.408   83.249  304.945   84.391  162.603   20.992  148.330   23.572 14.27246 31.56435 
1 1 1   16  -18    8 o  155.504   11.783  311.227   45.416  410.131   69.079  235.930   60.273  176.621   15.830  132.203   18.786 44.41812 24.56601 
1 1 1   16  -18    9 o  270.383   11.972  939.628   80.837  917.730  117.769  959.137  111.159  261.941   18.116  269.219   16.616 -7.277313 24.58156 
1 1 1   16  -18   10 o  134.356   12.558  235.356   41.645  266.832   61.185  208.190   56.843  140.247   17.877  122.967   19.133 17.28008 26.18522 
1 1 1   16  -18   11 o   66.334   18.102   61.589   30.821   80.434   41.706   38.914   45.750   74.770   21.304   58.374   22.389 16.39613 30.90531 
1 1 1   16  -18   12 o   56.408   21.379   37.670   41.405 -47.1268  108.953   51.984   44.764   60.639   28.447   62.457   22.483 -1.818497 36.25901 
1 1 1   16  -18   13 o   89.870   26.071  126.962   61.936  131.997  120.900  125.170   72.117   87.994   35.559   87.785   28.634 0.2091904 45.65487 
1 1 1   16  -18   14 o   64.064   24.890   53.689   57.086 -37.3592  120.873   79.828   64.764   62.838   29.630   72.774   26.910 -9.935993 40.02582 
1 1 1   16  -18   15 o   49.082   22.037  -4.0957   56.185  133.685  121.390 -41.6587   63.382   85.176   35.169   45.587   21.483 39.58952 41.21123 
1 1 1   16  -18   16 o   44.416   20.623 -24.8494   54.898   33.132  122.608 -39.3880   61.396   68.793   31.534   44.753   21.106 24.04085 37.94563 
1 1 1   16  -17    0 o  159.076   11.070  320.589   43.701  322.946   66.984  318.842   57.663  158.064   17.250  157.748   14.811 0.3157959 22.73653 
1 1 1   16  -17    1 o  305.368   18.883  1203.59  143.288  975.655  211.785  1396.00  194.585  266.441   32.504  325.702   24.095 -59.26031 40.46125 
1 1 1   16  -17    2 o  184.568   17.465  440.447   79.537  346.366  129.128  497.963  100.964  156.204   34.063  194.880   21.083 -38.67651 40.05997 
1 1 1   16  -17    3 o  286.023   12.223  1035.92   87.301  969.978  127.561  1094.02  119.735  273.606   18.784  291.839   16.497 -18.23328 24.99959 
1 1 1   16  -17    4 o  121.748   12.759  190.077   38.214  125.752   60.270  233.324   49.418   95.620   24.970  134.404   14.979 -38.78415 29.11799 
1 1 1   16  -17    5 o   85.594   15.430   96.523   31.767  123.710   51.195   79.501   40.510   95.285   21.966   76.686   20.681 18.59866 30.16912 
1 1 1   16  -17    6 o  230.677   11.264  674.602   64.888  685.071   97.146  666.170   87.189  229.661   17.061  227.241   15.457 2.419556 23.02128 
1 1 1   16  -17    7 o   96.212   14.581  121.296   33.935  166.745   52.739   89.184   44.331  111.292   19.697   80.606   21.590 30.68565 29.22541 
1 1 1   16  -17    8 o  192.112   12.382  473.168   59.085  512.981   98.945  451.103   73.660  195.753   20.548  185.940   16.020 9.813019 26.05482 
1 1 1   16  -17    9 o  165.627   14.798  357.505   60.562  299.735   83.560  421.430   87.898  146.947   23.568  176.846   20.270 -29.89977 31.08553 
1 1 1   16  -17   10 o  346.845   13.526  1553.55  117.154  1748.34  169.649  1375.98  161.980  361.973   18.833  319.225   20.427 42.74811 27.78382 
1 1 1   16  -17   11 o   99.424   14.571  131.262   35.103  173.043   50.560   92.378   48.775  112.495   18.651   80.334   23.088 32.16171 29.67992 
1 1 1   16  -17   12 o   81.621   16.226   90.987   31.907   65.634   44.233  118.489   46.070   68.605   22.427   91.351   20.677 -22.74577 30.50452 
1 1 1   16  -17   13 o   65.542   22.840   58.791   45.889   0.0000   0.0000   58.791   45.889  ?   ?    65.542   22.840 0.000000 22.83952 
1 1 1   16  -17   14 o  109.374   38.015  228.579  127.088  228.579  127.088   0.0000   0.0000  109.374   38.015  ?   ?  0.000000 38.01464 
1 1 1   16  -17   15 o   95.880   25.891  144.742   63.444  209.067  118.552  118.926   75.104  104.127   36.683   85.210   29.246 18.91700 46.91424 
1 1 1   16  -17   16 o   74.296   25.663   85.595   57.874  140.653  118.455   68.331   66.330   87.610   35.270   69.312   26.857 18.29819 44.33187 
1 1 1   16  -17   17 o   59.025   24.298   38.119   57.718   92.571  118.806   21.298   66.034   77.553   33.512   57.128   24.835 20.42458 41.71078 
1 1 1   16  -17   18 o   54.742   23.524   23.287   57.906   71.913  124.621   9.8973   65.395   73.200   32.845   53.993   24.040 19.20677 40.70302 
1 1 1   16  -16    0 o  308.845   12.369  1204.45   95.398  1162.40  138.074  1242.85  131.959  300.824   18.470  311.746   17.015 -10.92255 25.11238 
1 1 1   16  -16    1 o  243.575   11.385  748.112   69.252  734.339  101.628  760.051   94.621  239.278   17.121  243.991   15.612 -4.712814 23.17037 
1 1 1   16  -16    2 o  155.084   11.066  304.712   42.573  314.141   65.366  297.766   56.105  155.962   17.062  152.393   14.935 3.568420 22.67494 
1 1 1   16  -16    3 o  250.191   11.541  790.227   72.108  677.687  105.667  888.310   98.647  228.993   18.640  263.855   15.034 -34.86246 23.94734 
1 1 1   16  -16    4 o   82.352   23.469   91.196   50.607   94.258   97.915   90.080   59.115   89.544   33.093   82.480   25.823 7.064423 41.97569 
1 1 1   16  -16    5 o  151.826   11.789  293.246   44.345  322.954   69.735  273.076   57.460  157.507   18.056  145.307   16.106 12.19913 24.19558 
1 1 1   16  -16    6 o   98.584   13.935  126.013   33.350  147.179   53.421  112.497   42.690  104.531   21.191   91.629   19.268 12.90177 28.64105 
1 1 1   16  -16    7 o  198.450   11.145  499.970   55.008  535.966   82.789  471.517   73.606  203.573   16.425  191.213   15.550 12.36058 22.61824 
1 1 1   16  -16    8 o  103.715   13.794  139.655   34.839  147.842   54.335  133.940   45.399  104.193   21.592   99.958   18.880 4.234955 28.68226 
1 1 1   16  -16    9 o  124.248   12.500  198.707   38.259  178.369   57.765  214.599   51.064  114.632   20.952  127.860   16.369 -13.22782 26.58761 
1 1 1   16  -16   10 o  198.398   12.436  504.917   61.301  605.026  102.685  449.484   76.411  213.280   19.496  185.167   16.705 28.11340 25.67360 
1 1 1   16  -16   11 o  124.007   15.802  203.013   47.820  235.658   64.749  163.840   70.929  131.552   20.368  106.252   26.750 25.29933 33.62179 
1 1 1   16  -16   12 o  111.057   13.565  161.589   36.838  247.472   53.388   83.538   50.896  136.658   15.944   77.003   23.936 59.65466 28.76055 
1 1 1   16  -16   13 o   43.653   18.918   0.2630   38.080 -75.1763  104.138   11.907   40.914   57.843   27.344   48.384   20.233 9.459507 34.01550 
1 1 1   16  -16   14 f   82.310   16.354   92.837   32.430  101.980   42.393   79.937   50.354   84.622   20.318   74.454   23.896 10.16737 31.36605 
1 1 1   16  -16   15 o   63.057   17.638   55.659   28.861   59.902   36.286   48.352   47.614   65.119   20.206   61.774   23.028 3.345345 30.63581 
1 1 1   16  -16   16 o   59.069   23.832   36.449   54.208 -10.6781  112.043   50.852   61.939   65.021   29.930   64.839   25.704 0.1819229 39.45240 
1 1 1   16  -16   17 o   46.144   20.875 -11.8112   51.530 -71.7265  110.907   4.6838   58.193   57.391   27.437   52.087   22.959 5.303284 35.77586 
1 1 1   16  -16   18 o   51.433   22.477   9.1723   54.711  -0.8738  118.850   11.874   61.630   65.672   30.440   54.257   23.780 11.41466 38.62711 
1 1 1   16  -16   19 o   53.292   23.215   15.321   57.953  150.956  123.556 -22.9340   65.619   86.519   35.575   48.771   22.610 37.74725 42.15210 
1 1 1   16  -16   20 o   82.612   28.461  122.580   71.159   98.445  145.198  130.209   81.635   76.503   34.779   83.304   30.306 -6.800781 46.13110 
1 1 1   16  -15    0 o  445.698   15.292  2519.96  170.201  2503.42  242.743  2535.96  238.708  439.935   22.167  443.683   21.545 -3.747742 30.91199 
1 1 1   16  -15    1 o  110.312   12.437  155.474   33.661  154.271   52.625  156.306   43.791  107.980   20.261  109.693   16.497 -1.712547 26.12779 
1 1 1   16  -15    2 o  165.155   10.767  344.862   44.162  355.836   66.954  336.411   58.755  166.459   16.317  162.248   14.660 4.211136 21.93510 
1 1 1   16  -15    3 o  223.642   10.986  630.180   61.357  583.053   90.417  670.405   83.534  213.105   17.135  229.421   14.657 -16.31604 22.54892 
1 1 1   16  -15    4 o  306.903   12.065  1189.50   92.469  1269.29  134.696  1118.37  127.169  314.762   17.202  295.352   17.318 19.41074 24.40914 
1 1 1   16  -15    5 o  275.975   11.678  961.657   80.478  944.153  117.882  976.937  110.140  271.056   17.509  276.370   16.028 -5.313751 23.73726 
1 1 1   16  -15    6 o   67.976   24.135   54.059   51.415  107.874  105.241   37.188   58.926   94.112   34.384   64.730   25.249 29.38194 42.65878 
1 1 1   16  -15    7 o  119.067   20.915  189.003   59.917  260.178  110.370  159.262   71.346  135.162   32.989  107.385   26.715 27.77655 42.44979 
1 1 1   16  -15    8 o  179.669   11.257  409.805   50.250  347.855   75.533  458.992   67.305  162.995   18.908  189.243   14.349 -26.24817 23.73650 
1 1 1   16  -15    9 o  313.208   12.516  1246.45   97.891  1257.16  142.097  1236.78  135.048  310.973   18.380  308.956   17.577 2.017517 25.43164 
1 1 1   16  -15   10 o  171.980   11.279  376.734   48.172  385.079   72.657  370.188   64.348  171.699   17.176  169.042   15.413 2.656891 23.07769 
1 1 1   16  -15   11 o  123.456   12.361  196.215   37.597  146.824   55.895  237.026   50.808  103.131   22.349  134.764   15.373 -31.63338 27.12568 
1 1 1   16  -15   12 o  175.167   15.756  401.078   68.182   0.0000   0.0000  401.078   68.182  ?   ?   175.167   15.756 0.000000 15.75584 
1 1 1   16  -15   13 o   74.233   22.879   76.421   46.610   76.421   46.610   0.0000   0.0000   74.233   22.879  ?   ?  0.000000 22.87875 
1 1 1   16  -15   14 o  104.082   13.729  142.606   34.812  165.381   48.646  118.700   49.838  110.174   18.325   91.382   22.085 18.79155 28.69775 
1 1 1   16  -15   15 o  146.856   11.775  279.593   42.817  298.860   60.270  259.959   60.839  149.346   16.433  138.230   18.057 11.11584 24.41449 
1 1 1   16  -15   16 o  149.200   11.999  290.081   44.328  350.126   61.788  226.403   63.630  161.843   15.477  126.499   20.871 35.34428 25.98344 
1 1 1   16  -15   17 o  113.133   13.107  169.677   36.343  183.986   48.035  150.519   55.581  115.600   17.161  101.010   22.600 14.58981 28.37686 
1 1 1   16  -15   18 o  123.878   22.780  227.205   67.871  466.320  131.960  141.200   79.141  165.636   33.062   91.871   29.997 73.76472 44.64192 
1 1 1   16  -15   19 o   78.808   26.115   98.447   59.902  169.060  122.116   76.072   68.741   93.264   36.357   71.779   27.464 21.48474 45.56425 
1 1 1   16  -15   20 o  104.398   25.907  176.325   67.221  298.453  134.355  135.545   77.637  116.776   39.123   87.859   29.739 28.91667 49.14270 
1 1 1   16  -15   21 o   68.923   26.513   74.099   64.276   97.562  146.416   68.498   71.537   77.481   35.107   67.922   27.386 9.558830 44.52553 
1 1 1   16  -15   22 o   63.018   26.847   51.377   74.254   0.0000   0.0000   51.377   74.254  ?   ?    63.018   26.847 0.000000 26.84718 
1 1 1   16  -14    0 o  285.929   11.593  1029.57   82.773  1029.07  120.579  1030.02  113.830  283.961   17.084  284.439   16.092 -0.4779968 23.46921 
1 1 1   16  -14    1 o  303.600   11.858  1161.49   89.901  1198.84  130.012  1127.27  124.449  306.502   17.054  297.270   16.834 9.232697 23.96250 
1 1 1   16  -14    2 o  314.004   12.146  1243.36   95.237  1270.06  137.583  1218.79  131.963  315.214   17.548  308.920   17.174 6.294739 24.55380 
1 1 1   16  -14    3 o  114.783   11.987  167.899   33.853  116.229   52.409  204.895   44.346   93.031   22.749  126.434   14.297 -33.40289 26.86843 
1 1 1   16  -14    4 o  217.882   10.878  597.802   59.185  568.303   87.474  622.706   80.376  210.588   16.773  221.156   14.637 -10.56743 22.26119 
1 1 1   16  -14    5 o  311.442   12.216  1224.62   95.005  1242.90  137.537  1207.95  131.389  311.376   17.762  307.204   17.196 4.171936 24.72217 
1 1 1   16  -14    6 o  200.778   10.874  509.435   54.318  488.936   81.127  526.091   73.129  195.063   16.819  203.107   14.514 -8.043930 22.21576 
1 1 1   16  -14    7 o  238.169   11.165  715.549   66.403  721.000   99.220  711.128   89.367  236.972   16.877  235.931   15.250 1.041168 22.74647 
1 1 1   16  -14    8 o  172.142   17.606  383.702   74.619  426.665  125.963  360.474   92.620  176.273   29.670  164.688   23.161 11.58475 37.63942 
1 1 1   16  -14    9 o  132.771   19.280  232.074   62.056  332.480  112.576  188.248   74.376  154.456   30.269  116.988   26.120 37.46812 39.98095 
1 1 1   16  -14   10 o  241.329   11.217  736.750   67.598  785.152   99.998  696.019   91.731  246.856   16.314  232.549   15.891 14.30638 22.77428 
1 1 1   16  -14   11 o  212.384   11.324  573.185   59.841  566.775   88.680  578.544   81.084  208.866   17.154  211.814   15.436 -2.947617 23.07635 
1 1 1   16  -14   12 f  189.846   13.448  462.848   63.340  475.188  136.326  459.451   71.529  182.210   31.076  188.366   15.340 -6.155716 34.65561 
1 1 1   16  -14   13 o   76.834   16.727   79.495   31.184  125.665   44.078   33.230   44.124   96.302   19.004   57.435   21.997 38.86693 29.06923 
1 1 1   16  -14   14 o  115.582   13.856  174.408   39.196  224.413   59.743  136.617   51.936  129.001   19.125   99.120   21.593 29.88029 28.84516 
1 1 1   16  -14   15 o  103.744   16.621  144.456   41.606  132.836   52.075  164.969   69.186   97.065   21.993  106.214   26.238 -9.149086 34.23642 
1 1 1   16  -14   16 o  173.262   11.562  387.408   49.737  474.555   71.334  304.959   69.384  189.680   15.187  149.541   19.010 40.13866 24.33157 
1 1 1   16  -14   17 o  175.809   11.113  399.224   48.540  356.658   67.214  445.620   70.173  162.719   16.782  182.980   15.503 -20.26137 22.84717 
1 1 1   16  -14   18 o  190.385   11.540  470.850   54.604  476.064   76.340  465.388   78.134  187.767   16.447  185.083   17.099 2.684174 23.72470 
1 1 1   16  -14   19 o  157.109   11.604  322.414   45.203  292.471   60.288  360.859   68.313  146.132   16.829  162.217   17.123 -16.08492 24.00798 
1 1 1   16  -14   20 o   90.089   26.126  129.206   62.207  216.607  123.006   99.171   72.108  104.450   37.304   79.001   28.522 25.44884 46.95887 
1 1 1   16  -14   21 o   76.749   26.208   94.072   60.302  219.667  119.942   51.588   69.759  103.388   36.846   65.047   26.737 38.34128 45.52466 
1 1 1   16  -14   22 o   51.197   22.778   4.9142   58.586   64.677  133.113  -9.4437   65.246   73.585   33.394   50.718   23.156 22.86700 40.63731 
1 1 1   16  -14   23 o   45.553   21.234 -24.3775   59.129 -49.4428  118.842 -16.1311   68.165   58.077   27.932   49.843   23.085 8.234726 36.23669 
1 1 1   16  -13    0 o  241.694   11.086  734.801   66.912  716.062   97.370  751.568   92.104  236.971   16.558  243.182   15.244 -6.211227 22.50684 
1 1 1   16  -13    1 o  196.464   14.380  490.596   70.058  443.877   98.553  538.323   99.610  184.693   21.788  204.301   19.772 -19.60719 29.42159 
1 1 1   16  -13    2 f  316.142   17.026  1274.29  133.921  1113.03  188.588  1438.34  190.207  291.276   26.208  333.154   23.004 -41.87848 34.87169 
1 1 1   16  -13    3 o   92.177   13.521  109.542   30.197   98.217   46.868  117.581   39.486   85.751   21.830   94.715   17.333 -8.963425 27.87451 
1 1 1   16  -13    4 o  174.519   10.520  384.461   45.630  425.790   68.606  351.674   61.106  182.660   15.178  165.957   14.904 16.70369 21.27185 
1 1 1   16  -13    5 o  398.617   14.108  2011.33  140.437  1954.82  200.561  2065.69  196.710  389.439   20.698  401.424   19.623 -11.98505 28.52128 
1 1 1   16  -13    6 o  117.734   11.896  176.557   34.496  198.816   54.230  161.429   44.707  123.523   18.119  111.472   16.564 12.05164 24.54952 
1 1 1   16  -13    7 o  213.965   10.643  576.469   56.867  585.675   85.160  569.061   76.397  213.956   16.056  211.335   14.565 2.621017 21.67806 
1 1 1   16  -13    8 o  354.438   13.131  1589.83  116.220  1668.07  167.900  1517.85  161.035  360.124   18.735  343.422   18.850 16.70193 26.57646 
1 1 1   16  -13    9 o  186.658   10.962  440.862   50.874  434.500   76.610  445.880   68.043  183.648   16.895  186.744   14.710 -3.095734 22.40112 
1 1 1   16  -13   10 o  132.607   19.765  231.655   63.452  138.817  111.002  276.715   77.333  102.335   35.530  144.267   22.176 -41.93236 41.88218 
1 1 1   16  -13   11 o  159.993   22.852  341.602   88.708   0.0000   0.0000  341.602   88.708  ?   ?   159.993   22.852 0.000000 22.85216 
1 1 1   16  -13   12 o  177.551   16.641  408.711   72.924  408.711   72.924   0.0000   0.0000  177.551   16.641  ?   ?  0.000000 16.64148 
1 1 1   16  -13   13 o  161.279   11.269  331.388   45.100  380.707   66.695  289.835   61.219  171.352   15.763  148.964   16.747 22.38776 22.99916 
1 1 1   16  -13   14 o  133.777   11.755  229.412   38.870  293.116   56.865  173.542   53.254  150.041   15.395  113.560   19.480 36.48094 24.82928 
1 1 1   16  -13   15 o  184.185   11.050  433.271   50.588  451.248   73.123  416.767   70.060  185.793   15.914  178.524   15.881 7.268723 22.48272 
1 1 1   16  -13   16 o   94.643   15.435  119.280   35.221   89.444   49.450  150.003   50.180   79.664   23.349  104.452   19.966 -24.78820 30.72133 
1 1 1   16  -13   17 o  170.331   14.677  380.920   61.819  370.384   80.356  396.198   96.762  164.630   19.954  167.426   23.815 -2.796600 31.06927 
1 1 1   16  -13   18 o  178.030   11.698  410.167   51.717  484.602   73.196  335.964   73.082  191.132   15.468  156.551   19.089 34.58115 24.56966 
1 1 1   16  -13   19 o  176.003   11.501  401.914   50.269  392.700   69.390  412.091   72.922  170.650   16.489  174.481   16.950 -3.831375 23.64718 
1 1 1   16  -13   20 o  113.862   13.342  172.269   37.217  180.062   47.913  160.414   59.095  114.187   17.349  103.763   23.368 10.42332 29.10448 
1 1 1   16  -13   21 o   98.808   21.912  144.598   52.648  138.670  113.153  146.236   59.479   88.938   34.905   97.528   24.464 -8.590240 42.62432 
1 1 1   16  -13   22 o   42.095   19.670 -32.3120   51.226   35.918  106.056 -53.0736   58.503   68.630   30.582   42.212   20.110 26.41842 36.60118 
1 1 1   16  -13   23 o   71.861   25.850   81.451   59.166   74.474  131.459   83.223   66.256   75.363   33.781   72.488   27.136 2.874359 43.33017 
1 1 1   16  -13   24 o   71.315   26.162   83.398   61.016  213.630  126.659   44.041   69.628   95.657   37.100   61.580   26.108 34.07742 45.36528 
1 1 1   16  -13   25 o   74.910   26.996  100.207   64.552   33.977  125.635  123.963   75.244   65.873   30.789   80.598   29.130 -14.72432 42.38549 
1 1 1   16  -12    0 o  110.484   11.580  155.232   31.475  165.611   47.893  147.340   41.760  112.907   17.557  106.677   16.184 6.230003 23.87823 
1 1 1   16  -12    1 o  190.606   10.374  457.818   49.192  451.271   72.354  463.445   67.082  188.167   15.537  191.029   14.163 -2.862091 21.02371 
1 1 1   16  -12    2 o  245.648   10.835  758.743   66.467  792.699   96.544  728.146   91.644  249.698   15.561  239.315   15.417 10.38287 21.90465 
1 1 1   16  -12    3 o  227.192   12.732  652.859   71.941  645.734   90.765  664.900  117.986  225.038   16.261  226.800   21.073 -1.761551 26.61773 
1 1 1   16  -12    4 o  334.069   17.672  1424.55  146.898  1324.04  207.424  1525.68  208.069  317.811   26.374  342.378   24.498 -24.56610 35.99660 
1 1 1   16  -12    5 o  215.207   12.001  585.430   64.238  594.188  110.167  580.919   79.071  214.224   20.858  213.667   14.913 0.5569611 25.64088 
1 1 1   16  -12    6 o   91.363   13.306  107.581   29.466  143.279   46.794   84.124   37.932  104.453   18.623   79.551   19.293 24.90155 26.81443 
1 1 1   16  -12    7 o  349.271   12.962  1540.90  113.057  1525.69  162.224  1555.27  157.646  344.832   18.911  348.523   18.176 -3.690796 26.23003 
1 1 1   16  -12    8 o  432.717   14.976  2375.74  161.824  2477.46  231.508  2278.55  226.290  438.429   21.145  419.638   21.668 18.79190 30.27610 
1 1 1   16  -12    9 o  205.890   10.919  535.503   55.941  541.264   84.460  531.000   74.668  205.453   16.604  204.049   14.753 1.403915 22.21148 
1 1 1   16  -12   10 o  468.550   16.412  2800.05  192.035  2698.27  273.866  2898.50  269.346  453.785   24.256  472.081   22.848 -18.29575 33.32206 
1 1 1   16  -12   11 o  217.745   11.209  599.888   60.743  661.457   91.237  550.870   81.408  227.094   16.195  207.263   15.849 19.83073 22.65945 
1 1 1   16  -12   12 o  160.287   18.120  334.371   71.253  365.247  119.035  317.130   88.949  162.072   30.532  153.793   23.940 8.279373 38.79804 
1 1 1   16  -12   13 o   99.607   22.911  135.307   55.801   75.359  100.819  161.782   66.999   84.927   33.055  108.349   25.233 -23.42199 41.58496 
1 1 1   16  -12   14 o  317.577   12.517  1282.27   99.265  1262.43  142.887  1300.78  138.004  311.369   18.459  316.720   17.517 -5.351563 25.44751 
1 1 1   16  -12   15 o  163.684   11.245  341.652   45.686  341.083   66.631  342.156   62.762  161.530   16.763  162.233   15.688 -0.7030334 22.95845 
1 1 1   16  -12   16 o   81.157   15.438   87.744   30.145   96.776   41.265   77.408   44.143   83.977   19.969   75.103   22.074 8.874374 29.76642 
1 1 1   16  -12   17 o   88.587   14.456  103.850   30.876  101.088   41.810  107.163   45.791   85.522   19.944   87.689   21.155 -2.166275 29.07402 
1 1 1   16  -12   18 o   63.941   19.101   55.845   32.840   57.784   38.272   50.433   63.948   65.270   20.821   67.537   26.315 -2.266769 33.55522 
1 1 1   16  -12   19 o   80.910   17.260   90.088   33.811   64.037   38.182  184.717   72.770   67.759   20.677  111.182   26.572 -43.42269 33.66916 
1 1 1   16  -12   20 o  101.324   13.796  136.496   33.999  151.922   43.960  113.533   53.636  105.260   17.327   87.550   23.874 17.70933 29.49941 
1 1 1   16  -12   21 o   97.223   13.712  126.325   32.365  130.210   41.158  120.030   52.393   96.750   17.687   89.766   23.203 6.983498 29.17588 
1 1 1   16  -12   22 o  102.854   14.098  142.308   35.256  178.594   44.860   83.685   57.019  114.187   16.185   74.582   25.484 39.60526 30.18972 
1 1 1   16  -12   23 f  146.325   20.640  309.557   73.323  343.859  131.074  293.935   88.458  132.878   37.736  136.315   26.941 -3.436432 46.36649 
1 1 1   16  -12   24 o   60.314   24.644   41.935   58.824 -71.1643  127.230   72.684   66.341   59.893   28.829   69.775   26.909 -9.881931 39.43614 
1 1 1   16  -12   25 o   88.794   26.750  134.658   64.206  217.382  130.030  107.985   73.835   96.715   37.568   78.501   28.782 18.21443 47.32595 
1 1 1   16  -12   26 o   73.759   27.032   95.364   65.120  291.132  136.470   37.646   74.100  105.918   39.084   60.080   26.210 45.83807 47.05826 
1 1 1   16  -11    0 o  226.365   10.365  643.565   58.593  614.998   84.847  669.610   81.013  219.953   15.548  229.891   14.181 -9.937988 21.04349 
1 1 1   16  -11    1 o  231.644   10.615  674.210   61.405  657.419   89.134  689.377   84.714  227.352   15.798  233.137   14.625 -5.785431 21.52819 
1 1 1   16  -11    2 o  334.256   12.380  1407.24  103.335  1453.17  148.280  1363.88  144.087  337.722   17.643  327.133   17.704 10.58914 24.99435 
1 1 1   16  -11    3 o  261.014   11.151  856.826   72.679  814.049  104.844  896.399  100.841  252.760   16.705  265.719   15.261 -12.95877 22.62646 
1 1 1   16  -11    4 o  125.560   10.961  199.730   34.023  187.433   51.609  209.182   45.248  120.186   17.728  127.864   14.423 -7.677757 22.85392 
1 1 1   16  -11    5 o  358.451   13.065  1621.02  116.949  1640.29  167.412  1602.65  163.442  358.150   18.784  354.110   18.548 4.039307 26.39795 
1 1 1   16  -11    6 o   97.494   16.389  123.800   38.485  156.653   55.690   93.769   53.244  108.730   21.272   84.068   24.111 24.66229 32.15350 
1 1 1   16  -11    7 o  188.927   14.088  453.789   65.989  488.469   94.236  420.422   92.435  194.452   19.678  179.845   20.976 14.60747 28.76114 
1 1 1   16  -11    8 o  189.165   10.591  451.524   49.831  470.548   74.311  435.981   67.171  191.957   15.638  184.980   14.661 6.976730 21.43631 
1 1 1   16  -11    9 o  166.826   10.650  351.632   44.138  394.617   67.728  319.898   58.193  175.636   15.604  158.175   14.909 17.46088 21.58154 
1 1 1   16  -11   10 o  646.621   30.596  5576.19  494.039   0.0000   0.0000  5576.19  494.039  ?   ?   646.621   30.596 0.000000 30.59571 
1 1 1   16  -11   11 o  154.532   17.424  308.661   66.063  308.661   66.063   0.0000   0.0000  154.532   17.424  ?   ?  0.000000 17.42371 
1 1 1   16  -11   12 o   75.014   16.461   74.500   29.988  136.092   47.434   33.493   38.704  101.271   19.464   56.473   20.818 44.79856 28.49990 
1 1 1   16  -11   13 o  118.925   12.286  180.785   35.961  221.977   55.002  150.029   47.526  130.565   17.295  106.599   18.526 23.96646 25.34448 
1 1 1   16  -11   14 o  155.741   17.947  316.123   68.521  370.045  116.426  287.548   84.754  163.300   29.642  146.051   24.077 17.24843 38.18874 
1 1 1   16  -11   15 f  165.299   18.015  357.110   73.159  308.341  119.434  386.399   92.555  145.943   33.483  170.070   22.333 -24.12744 40.24746 
1 1 1   16  -11   16 o  153.921   11.023  301.819   42.088  242.749   60.356  357.729   58.720  135.531   18.301  166.576   14.254 -31.04581 23.19697 
1 1 1   16  -11   17 o  115.101   12.665  171.135   35.799  276.696   51.119   69.535   50.150  146.126   14.188   72.430   23.890 73.69569 27.78549 
1 1 1   16  -11   18 o  172.569   11.134  380.960   47.725  403.306   67.583  358.733   67.403  175.614   15.572  165.062   16.577 10.55269 22.74383 
1 1 1   16  -11   19 o  170.866   11.136  374.640   47.256  397.409   66.245  351.047   67.431  173.906   15.414  162.588   16.853 11.31801 22.83866 
1 1 1   16  -11   20 o   69.666   18.608   67.479   32.986   60.287   37.240   93.668   71.067   66.083   20.464   80.885   28.409 -14.80225 35.01239 
1 1 1   16  -11   21 o  109.951   13.147  159.322   35.381  201.589   46.707  102.412   54.197  122.614   15.608   83.232   24.458 39.38152 29.01385 
1 1 1   16  -11   22 o   88.887   14.185  106.229   30.427  112.295   38.053   95.475   50.667   89.844   17.590   80.146   23.676 9.698715 29.49517 
1 1 1   16  -11   23 o  127.870   12.253  215.064   38.648  189.299   48.975  257.593   62.922  117.060   17.273  135.457   19.134 -18.39719 25.77728 
1 1 1   16  -11   24 o   66.627   16.828   62.819   28.006   80.285   32.664   14.342   54.419   75.047   17.714   52.968   22.785 22.07916 28.86042 
1 1 1   16  -11   25 o   60.697   24.540   43.543   57.610  255.790  132.712  -5.7413   63.950  108.539   38.750   51.504   23.281 57.03511 45.20599 
1 1 1   16  -11   26 o   46.101   21.085 -13.3916   54.404 -105.2856  119.819   10.474   61.062   54.749   26.727   52.971   23.425 1.778297 35.53939 
1 1 1   16  -11   27 o   70.623   26.448   83.687   62.953  288.451  137.723   29.603   70.780  105.941   39.229   58.175   25.491 47.76608 46.78309 
1 1 1   16  -10    0 o  159.708   10.205  321.485   40.488  313.738   59.614  328.119   55.161  156.820   15.422  160.723   13.880 -3.903427 20.74849 
1 1 1   16  -10    1 o  100.455   11.854  128.661   29.164  104.290   43.979  147.790   38.964   88.717   20.292  107.161   14.969 -18.44352 25.21580 
1 1 1   16  -10    2 o  286.055   11.421  1028.94   81.586  1047.12  117.300  1011.91  113.552  287.043   16.433  282.235   16.179 4.807983 23.06056 
1 1 1   16  -10    3 o  358.642   12.770  1620.57  114.369  1695.67  163.649  1548.88  159.902  365.260   17.942  348.463   18.441 16.79681 25.72909 
1 1 1   16  -10    4 o  383.169   13.487  1852.15  129.050  1915.10  184.302  1791.59  180.759  387.660   19.038  374.339   19.403 13.32086 27.18360 
1 1 1   16  -10    5 o  441.767   15.012  2468.71  165.609  2451.67  235.671  2485.32  232.768  437.229   21.585  440.444   21.163 -3.215485 30.22886 
1 1 1   16  -10    6 o  286.086   11.420  1029.84   81.585  1062.66  117.728  999.514  113.164  288.994   16.381  280.296   16.237 8.698975 23.06427 
1 1 1   16  -10    7 o  147.971   10.556  276.614   38.749  285.910   58.584  269.385   51.665  149.357   15.954  145.274   14.433 4.082153 21.51360 
1 1 1   16  -10    8 o  296.642   16.459  1120.69  121.445  1129.57  172.378  1111.93  171.128  294.808   23.613  292.474   23.633 2.334076 33.40766 
1 1 1   16  -10    9 o  425.215   20.844  2321.36  221.331  2268.71  313.282  2373.83  312.737  412.945   30.598  423.118   29.788 -10.17242 42.70348 
1 1 1   16  -10   10 o  268.277   11.480  906.651   76.908  869.625  112.260  939.398  105.576  260.733   17.341  271.631   15.630 -10.89847 23.34536 
1 1 1   16  -10   11 o  274.332   11.617  948.612   79.582  1010.56  116.377  894.196  109.069  281.295   16.641  264.566   16.593 16.72934 23.50017 
1 1 1   16  -10   12 o  144.106   11.094  263.155   39.615  249.853   60.244  273.290   52.583  138.790   17.792  146.102   14.608 -7.311203 23.02057 
1 1 1   16  -10   13 o  185.907   10.863  436.992   50.209  367.389   74.450  495.057   68.000  168.520   17.969  197.155   13.901 -28.63489 22.71789 
1 1 1   16  -10   14 o  252.313   11.470  803.824   72.268  811.364  105.736  797.214   99.000  251.318   16.947  249.497   15.974 1.820969 23.28854 
1 1 1   16  -10   15 o  120.385   12.099  185.213   35.879  173.123   53.288  195.239   48.526  114.333   19.355  122.539   16.259 -8.206100 25.27785 
1 1 1   16  -10   16 o   98.029   22.917  131.306   55.096  123.794   98.643  134.712   66.423   96.321   33.491   98.520   26.445 -2.199188 42.67249 
1 1 1   16  -10   17 o  210.410   13.032  566.202   68.140  556.508   84.732  583.948  114.641  207.119   16.520  209.068   22.303 -1.949509 27.75436 
1 1 1   16  -10   18 o  146.545   11.301  274.435   41.037  285.814   58.657  263.528   57.431  147.855   16.149  141.758   16.534 6.097107 23.11249 
1 1 1   16  -10   19 o  128.973   11.518  213.676   36.706  216.603   51.279  210.600   52.566  128.069   16.412  125.944   17.161 2.124969 23.74519 
1 1 1   16  -10   20 o  110.621   12.423  158.939   33.724  142.413   44.916  180.293   51.059  102.421   18.230  115.478   18.317 -13.05743 25.84290 
1 1 1   16  -10   21 o   94.090   14.164  117.448   32.248  152.999   42.151   67.269   50.078  106.691   16.341   70.229   23.883 36.46235 28.93887 
1 1 1   16  -10   22 o   66.713   18.456   62.099   31.784   63.205   34.759   56.459   78.520   67.174   19.544   71.110   28.685 -3.936661 34.70979 
1 1 1   16  -10   23 o  156.912   11.267  319.347   43.853  319.474   58.231  319.182   66.655  154.573   15.286  152.751   17.808 1.821579 23.46933 
1 1 1   16  -10   24 o   78.350   14.958   83.911   28.198   68.818   33.369  121.607   52.736   69.472   18.784   90.117   23.272 -20.64487 29.90696 
1 1 1   16  -10   25 o   57.029   16.879   45.447   25.730   54.935   29.546   15.667   52.347   62.195   17.997   52.702   22.499 9.492149 28.81124 
1 1 1   16  -10   26 o   86.629   24.753  118.866   56.220  237.673  133.577   93.291   61.976  105.071   38.684   76.544   26.550 28.52696 46.91863 
1 1 1   16  -10   27 o   79.106   27.030  105.144   64.146  180.145  130.263   81.135   73.701   90.950   36.856   71.771   28.169 19.17906 46.38795 
1 1 1   16  -10   28 o   71.299   26.653   85.193   63.875  108.487  133.471   78.273   72.746   76.671   34.226   69.466   27.755 7.204681 44.06496 
1 1 1   16   -9    0 o  289.312   16.429  1062.29  118.207  1116.32  173.422  1015.41  161.550  294.031   23.824  280.560   23.268 13.47131 33.30154 
1 1 1   16   -9    1 o  187.269   14.768  445.355   68.501  464.526  106.139  431.669   89.678  189.114   22.945  183.092   19.936 6.021683 30.39607 
1 1 1   16   -9    2 o  171.548   10.165  370.683   43.351  382.100   63.847  360.918   59.050  173.327   14.896  168.570   14.159 4.756927 20.55141 
1 1 1   16   -9    3 o  255.556   10.844  820.517   69.203  845.389   99.726  797.416   96.110  258.111   15.545  250.685   15.428 7.425797 21.90091 
1 1 1   16   -9    4 o  364.853   13.118  1677.59  119.520  1727.92  170.742  1629.24  167.363  368.114   18.635  357.347   18.821 10.76712 26.48593 
1 1 1   16   -9    5 o  393.216   13.748  1950.84  135.000  1935.82  192.363  1965.41  189.506  389.034   19.867  392.696   19.325 -3.661835 27.71555 
1 1 1   16   -9    6 o   72.636   14.823   69.062   25.976   50.283   40.181   82.546   34.048   64.209   21.394   79.097   17.682 -14.88782 27.75525 
1 1 1   16   -9    7 o  182.859   10.133  421.258   46.090  417.303   68.272  424.570   62.474  180.980   15.249  182.892   13.780 -1.911942 20.55272 
1 1 1   16   -9    8 o  259.062   11.024  844.043   71.315  837.349  103.467  850.102   98.431  256.468   16.239  258.696   15.305 -2.228210 22.31479 
1 1 1   16   -9    9 o  441.249   21.516  2500.03  237.077   0.0000   0.0000  2500.03  237.077  ?   ?   441.249   21.516 0.000000 21.51569 
1 1 1   16   -9   10 o  128.968   17.263  215.112   54.202  215.112   54.202   0.0000   0.0000  128.968   17.263  ?   ?  0.000000 17.26318 
1 1 1   16   -9   11 o  116.300   15.102  174.140   42.824  170.516   62.982  177.255   58.403  113.000   23.099  115.846   20.960 -2.845901 31.19131 
1 1 1   16   -9   12 o  331.152   12.937  1384.94  106.979  1407.30  154.305  1364.25  148.447  331.272   18.730  326.350   18.289 4.922058 26.17791 
1 1 1   16   -9   13 o  177.275   10.771  397.079   47.458  428.043   71.444  372.627   63.489  182.875   15.800  170.740   15.044 12.13545 21.81646 
1 1 1   16   -9   14 o  184.221   11.024  429.164   50.479  412.993   75.261  442.388   68.058  179.140   17.029  186.130   14.764 -6.990280 22.53743 
1 1 1   16   -9   15 o  285.300   11.975  1028.37   85.315  1012.92  123.120  1042.64  118.329  280.714   17.654  285.250   16.684 -4.535950 24.29029 
1 1 1   16   -9   16 o  253.050   11.506  809.187   72.710  755.160  105.158  858.677  100.646  241.982   17.521  258.928   15.639 -16.94629 23.48528 
1 1 1   16   -9   17 o  162.258   10.684  333.969   43.050  262.937   62.809  396.907   59.122  141.698   18.169  176.150   13.544 -34.45183 22.66184 
1 1 1   16   -9   18 o  191.856   16.883  478.257   80.064  467.260  127.688  485.382  102.778  183.099   28.884  190.782   21.975 -7.683365 36.29286 
1 1 1   16   -9   19 o  232.162   13.053  690.491   75.370  722.251   93.476  631.477  127.420  236.000   15.955  215.580   24.080 20.41925 28.88633 
1 1 1   16   -9   20 o  264.221   11.430  889.443   75.418  879.415  107.390  899.202  105.940  259.362   16.669  262.574   16.237 -3.211609 23.26981 
1 1 1   16   -9   21 o   41.157   15.910   15.302   23.233   30.100   28.466 -14.2264   40.211   50.487   17.955   41.454   18.625 9.032963 25.87013 
1 1 1   16   -9   22 o   52.674   16.745   36.460   24.773   43.059   30.280   23.102   43.079   57.112   18.550   52.906   21.280 4.205841 28.23050 
1 1 1   16   -9   23 o  229.606   11.705  681.073   66.888  753.753   94.649  608.564   94.538  238.172   16.007  212.220   18.009 25.95158 24.09446 
1 1 1   16   -9   24 o   65.209   18.315   59.588   31.054   59.767   33.209   58.340   87.630   65.231   19.139   72.539   29.909 -7.307899 35.50812 
1 1 1   16   -9   25 o   28.775   12.813  -5.5795   18.581  -2.6115   20.179 -22.1203   47.638   31.143   13.629   42.811   19.636 -11.66863 23.90230 
1 1 1   16   -9   26 o  106.932   13.256  152.609   34.637  159.827   42.398  138.125   60.062  107.805   16.254   94.378   25.063 13.42692 29.87211 
1 1 1   16   -9   27 o   67.969   17.222   66.038   29.266   87.423   33.764   1.4358   58.686   78.133   17.714   51.289   22.809 26.84487 28.87917 
1 1 1   16   -9   28 o   64.292   24.672   58.937   55.573 -38.0458  124.732   82.956   62.074   61.763   29.407   72.180   26.401 -10.41620 39.52002 
1 1 1   16   -9   29 o   94.606   27.456  157.211   68.676  348.317  141.647   98.482   78.523  119.008   40.169   74.822   29.158 44.18540 49.63624 
1 1 1   16   -8    0 o  335.238   12.442  1413.40  104.156  1444.04  148.685  1383.87  145.951  337.163   17.722  330.029   17.775 7.134552 25.09991 
1 1 1   16   -8    1 o  337.463   12.469  1432.49  105.077  1445.43  149.850  1419.98  147.385  337.227   17.858  334.284   17.719 2.943542 25.15694 
1 1 1   16   -8    2 o   90.298   18.020  106.951   39.210  171.833   71.776   79.352   46.812  113.315   25.927   77.928   22.683 35.38763 34.44864 
1 1 1   16   -8    3 o  355.776   17.310  1604.23  153.785  1950.82  224.149  1295.99  211.381  389.428   23.154  315.370   27.104 74.05789 35.64722 
1 1 1   16   -8    4 o  292.630   16.486  1087.46  119.979  1172.50  175.704  1013.17  164.230  301.329   23.537  279.914   23.718 21.41455 33.41459 
1 1 1   16   -8    5 o   80.524   13.780   84.007   26.714   74.057   41.026   91.330   35.197   75.066   21.040   83.348   17.470 -8.281876 27.34735 
1 1 1   16   -8    6 o  287.424   11.480  1038.87   82.397  1053.77  118.513  1024.93  114.639  287.923   16.553  284.042   16.229 3.881348 23.18162 
1 1 1   16   -8    7 o  299.358   11.606  1127.31   86.762  1178.76  124.788  1079.16  120.713  304.543   16.470  291.295   16.664 13.24866 23.42956 
1 1 1   16   -8    8 o  160.107   10.411  323.380   41.398  284.920   62.233  353.906   55.444  148.912   17.042  166.983   13.409 -18.07076 21.68534 
1 1 1   16   -8    9 o  250.656   10.907  789.907   68.270  802.859   98.785  778.065   94.457  251.274   15.824  247.477   15.360 3.796188 22.05301 
1 1 1   16   -8   10 o  217.081   10.347  592.167   56.088  634.683   82.709  555.968   76.317  223.498   14.905  209.168   14.704 14.33026 20.93734 
1 1 1   16   -8   11 o  193.188   10.246  470.311   49.253  483.119   73.331  459.784   66.480  194.752   15.199  190.228   14.095 4.524841 20.72852 
1 1 1   16   -8   12 o  134.046   10.893  227.516   36.146  199.908   55.385  247.999   47.707  123.923   18.461  139.409   13.889 -15.48582 23.10193 
1 1 1   16   -8   13 o  302.804   16.616  1169.30  125.163  1186.95  177.952  1152.01  176.078  301.820   23.804  297.259   23.923 4.561096 33.74784 
1 1 1   16   -8   14 o  255.467   11.731  822.738   74.835  785.444  108.297  856.820  103.530  247.541   17.635  259.150   16.077 -11.60847 23.86340 
1 1 1   16   -8   15 o  349.154   13.350  1542.35  116.397  1421.43  166.639  1657.55  162.655  331.839   20.206  359.530   18.176 -27.69101 27.17764 
1 1 1   16   -8   16 o  274.343   11.709  950.116   80.219  934.850  116.280  963.980  110.810  269.861   17.347  274.509   16.237 -4.648682 23.76038 
1 1 1   16   -8   17 o  101.155   12.773  131.564   31.544  162.949   46.563  104.942   42.885  111.569   17.271   88.488   19.891 23.08074 26.34272 
1 1 1   16   -8   18 o   91.760   13.855  109.395   30.758  123.661   44.599   96.455   42.476   96.196   19.238   84.542   20.362 11.65446 28.01296 
1 1 1   16   -8   19 o  379.693   13.791  1839.34  130.758  1712.85  186.352  1962.02  183.520  361.053   20.756  388.510   18.916 -27.45709 28.08251 
1 1 1   16   -8   20 o  342.651   19.292  1542.15  164.404  1595.42  241.222  1495.94  224.665  338.547   28.807  329.166   27.586 9.381409 39.88525 
1 1 1   16   -8   21 o  266.046   11.436  901.425   75.979  847.323  107.158  956.123  107.746  254.480   16.960  271.062   15.989 -16.58202 23.30799 
1 1 1   16   -8   22 o   38.439   15.320   10.814   22.112   15.766   26.477  -0.6017   40.201   43.084   16.892   44.893   19.446 -1.809017 25.75841 
1 1 1   16   -8   23 o  166.122   10.949  354.410   45.167  332.183   61.751  379.982   66.236  158.447   15.818  169.544   15.827 -11.09732 22.37672 
1 1 1   16   -8   24 o   87.368   15.180  102.799   31.917  162.806   41.179   12.505   50.513  110.336   15.362   52.471   22.241 57.86454 27.03064 
1 1 1   16   -8   25 o  126.792   14.988  214.715   46.536  176.379   51.421  388.241  109.400  112.623   18.957  159.280   28.554 -46.65739 34.27351 
1 1 1   16   -8   26 f  110.508   15.150  164.722   40.707  156.502   43.663  219.332  112.543  106.709   16.953  110.564   35.750 -3.855034 39.56539 
1 1 1   16   -8   27 o  104.473   13.753  146.331   35.008  159.501   42.494  118.509   61.764  107.722   16.307   86.819   26.255 20.90291 30.90680 
1 1 1   16   -8   28 o   72.540   16.204   74.079   28.613   70.390   32.520   86.724   60.205   69.760   18.402   74.670   26.153 -4.910156 31.97823 
1 1 1   16   -8   29 o   51.797   16.861   37.204   25.010   33.735   27.363   54.821   61.653   50.314   17.631   63.966   25.553 -13.65197 31.04524 
1 1 1   16   -7    0 o  181.212   10.026  413.069   45.193  384.567   65.588  438.833   62.359  173.962   15.252  186.249   13.499 -12.28630 20.36795 
1 1 1   16   -7    1 o  341.980   12.439  1470.46  106.230  1501.28  151.477  1440.64  149.016  343.887   17.699  336.827   17.779 7.060699 25.08731 
1 1 1   16   -7    2 o  384.854   13.129  1864.12  126.179  1993.85  179.957  1738.66  176.969  396.581   18.171  369.522   19.245 27.05942 26.46799 
1 1 1   16   -7    3 f  319.628   11.648  1283.83   92.968  1395.31  133.221  1178.01  129.800  332.257   16.056  304.574   17.136 27.68243 23.48264 
1 1 1   16   -7    4 o  116.070   10.795  170.606   30.931  171.000   46.255  170.288   41.599  115.127   16.566  115.254   14.795 -0.1267624 22.21113 
1 1 1   16   -7    5 o  396.198   19.274  1996.57  190.688  2221.97  274.763  1787.13  264.857  413.707   26.739  369.642   28.924 44.06464 39.38990 
1 1 1   16   -7    6 o  101.105   17.509  133.198   42.605  195.721   75.641  104.144   51.563  120.989   25.822   88.496   23.089 32.49268 34.63958 
1 1 1   16   -7    7 o  173.255   14.806  381.814   63.441  442.623   99.686  340.421   82.246  184.708   22.048  162.035   20.807 22.67313 30.31557 
1 1 1   16   -7    8 o  217.680   14.474  600.940   78.233   0.0000   0.0000  600.940   78.233  ?   ?   217.680   14.474 0.000000 14.47446 
1 1 1   16   -7    9 o  125.107   16.735  201.820   50.971  201.820   50.971   0.0000   0.0000  125.107   16.735  ?   ?  0.000000 16.73468 
1 1 1   16   -7   10 o  194.180   10.172  474.850   49.151  487.466   72.688  464.221   66.717  195.785   14.981  191.241   14.069 4.544296 20.55157 
1 1 1   16   -7   11 o  195.357   10.166  480.687   49.425  475.626   72.904  484.992   67.234  193.287   15.228  195.511   13.861 -2.224854 20.59131 
1 1 1   16   -7   12 o  251.107   10.574  792.626   66.305  824.273   96.644  764.483   91.138  254.707   15.265  245.350   14.946 9.356400 21.36375 
1 1 1   16   -7   13 o  240.414   10.777  726.938   64.698  707.484   94.337  744.213   88.898  235.596   16.132  242.052   14.778 -6.456100 21.87758 
1 1 1   16   -7   14 o  214.626   10.583  579.377   56.721  543.501   83.656  609.903   77.167  206.216   16.380  219.136   14.177 -12.92000 21.66351 
1 1 1   16   -7   15 o  214.627   14.361  585.789   76.526  601.718  108.355  569.937  108.093  215.602   20.367  209.575   20.934 6.027939 29.20695 
1 1 1   16   -7   16 o  117.612   11.678  176.090   33.844  138.479   51.027  205.629   45.222  102.011   20.738  126.559   14.575 -24.54834 25.34730 
1 1 1   16   -7   17 o   90.526   13.733  106.077   30.069  126.320   45.574   90.471   40.015   97.554   19.391   82.281   19.730 15.27315 27.66365 
1 1 1   16   -7   18 o  335.336   13.215  1425.35  110.658  1309.34  158.363  1536.05  154.688  317.752   20.061  345.488   17.992 -27.73630 26.94717 
1 1 1   16   -7   19 o  373.488   13.854  1774.50  129.212  1784.71  184.633  1764.69  180.890  370.369   20.038  368.508   19.729 1.860931 28.11972 
1 1 1   16   -7   20 o  290.420   11.924  1070.00   86.476  938.742  123.621  1195.77  121.011  268.468   18.553  304.739   15.957 -36.27118 24.47159 
1 1 1   16   -7   21 o  101.815   12.953  134.227   32.188  131.001   44.420  137.793   46.708   98.771   18.694  101.189   19.186 -2.418266 26.78775 
1 1 1   16   -7   22 o   91.414   22.681  116.499   51.529  139.248   95.399  107.128   61.229   98.034   32.966   87.200   26.090 10.83345 42.04107 
1 1 1   16   -7   23 o  107.792   12.108  150.502   32.028  104.188   41.512  218.620   50.344   86.939   19.591  128.612   16.023 -41.67264 25.30852 
1 1 1   16   -7   24 o   96.226   13.017  121.481   30.476  120.659   38.786  122.806   49.271   94.338   17.094   93.267   21.583 1.071739 27.53197 
1 1 1   16   -7   25 o  143.065   11.397  264.651   40.381  270.747   53.330  256.460   61.820  142.863   15.181  137.094   18.533 5.768967 23.95671 
1 1 1   16   -7   26 o   36.303   14.594   9.3804   20.249   13.486   22.507  -8.0551   46.380   39.547   15.552   45.437   20.237 -5.889175 25.52277 
1 1 1   16   -7   27 o   96.442   17.173  128.512   39.843  126.008   42.454  147.017  115.404   94.716   18.613   93.074   35.592 1.641937 40.16469 
1 1 1   16   -7   28 o  160.131   12.492  337.351   49.559  328.066   63.911  351.355   78.486  154.796   16.803  157.031   20.505 -2.234589 26.51033 
1 1 1   16   -7   29 o   59.397   16.873   49.917   26.201   49.598   29.254   51.208   58.901   59.128   18.109   63.538   25.104 -4.409809 30.95422 
1 1 1   16   -7   30 o   49.841   17.054   33.433   25.535   40.119   28.004   0.4499   62.202   53.683   17.859   51.726   23.208 1.956074 29.28394 
1 1 1   16   -6    0 o  177.781   9.6715  397.315   42.775  415.993   62.032  380.382   59.064  181.303   13.805  173.333   13.759 7.970551 19.49047 
1 1 1   16   -6    1 o  195.536   10.129  480.742   49.290  484.624   71.193  477.169   68.309  195.582   14.684  194.157   14.187 1.424820 20.41781 
1 1 1   16   -6    2 o  398.449   13.916  1999.09  138.468  2015.48  196.652  1982.96  195.007  398.380   19.767  394.656   19.850 3.723969 28.01401 
1 1 1   16   -6    3 o  174.614   10.049  383.681   43.635  354.407   63.505  409.864   60.058  166.898   15.411  179.955   13.462 -13.05641 20.46310 
1 1 1   16   -6    4 o  375.495   13.135  1774.57  123.169  1871.65  175.572  1680.50  172.834  384.194   18.300  363.319   19.117 20.87500 26.46425 
1 1 1   16   -6    5 o  496.102   16.255  3111.79  201.376  3181.65  285.912  3043.02  283.678  498.554   22.965  487.391   23.308 11.16241 32.72072 
1 1 1   16   -6    6 o  145.611   10.260  267.402   37.067  267.302   55.204  267.485   50.021  144.660   15.524  145.017   13.986 -0.3568726 20.89542 
1 1 1   16   -6    7 o  157.256   11.320  312.347   44.157  285.697   76.624  325.598   54.031  148.162   21.324  160.168   13.639 -12.00555 25.31267 
1 1 1   16   -6    8 o  298.873   16.819  1135.14  125.015  1209.49  182.495  1069.40  171.602  305.788   24.094  287.414   24.132 18.37408 34.10142 
1 1 1   16   -6    9 o  259.168   15.988  853.216  102.969  875.416  152.611  834.664  139.510  259.898   23.778  254.331   22.188 5.566315 32.52245 
1 1 1   16   -6   10 o  624.183   19.345  4964.49  301.531  5419.45  428.099  4516.56  424.778  646.463   26.519  588.091   28.925 58.37183 39.24107 
1 1 1   16   -6   11 o   68.074   14.987   60.835   24.788   41.750   38.345   74.535   32.489   60.066   20.881   75.139   17.620 -15.07241 27.32192 
1 1 1   16   -6   12 o  105.038   11.318  140.347   29.219  147.659   45.601  135.254   38.057  106.424   17.787  102.297   15.373 4.127304 23.50955 
1 1 1   16   -6   13 o  176.203   10.198  391.333   44.679  391.240   66.347  391.410   60.436  175.156   15.323  175.517   13.903 -0.3615417 20.68982 
1 1 1   16   -6   14 f  203.247   9.9525  518.935   50.514  536.899   74.625  503.743   68.625  205.513   14.637  199.214   13.882 6.299133 20.17245 
1 1 1   16   -6   15 o  189.525   10.068  452.661   47.478  537.285   72.134  387.978   63.065  205.656   14.132  174.497   14.607 31.15927 20.32419 
1 1 1   16   -6   16 o  164.635   10.694  342.439   43.728  312.490   65.630  366.347   58.639  155.779   17.155  169.628   13.967 -13.84937 22.12235 
1 1 1   16   -6   17 o  237.192   14.829  716.147   87.393  731.328  123.341  700.842  123.845  237.453   21.018  232.171   21.609 5.282181 30.14476 
1 1 1   16   -6   18 o  402.456   14.588  2055.69  146.610  1842.88  208.899  2262.26  205.813  376.400   22.324  419.432   19.650 -43.03137 29.74047 
1 1 1   16   -6   19 o   84.769   14.167   93.593   28.932   81.672   42.758  103.660   39.293   78.081   21.326   88.300   18.416 -10.21862 28.17733 
1 1 1   16   -6   20 o  198.870   10.827  500.845   53.565  470.805   78.119  527.500   73.587  191.008   16.541  202.958   14.617 -11.95003 22.07428 
1 1 1   16   -6   21 o  112.188   11.895  161.330   32.816  136.243   46.032  187.258   46.797  100.982   18.950  119.785   16.048 -18.80300 24.83246 
1 1 1   16   -6   22 o  325.825   12.605  1352.73  102.563  1347.77  146.217  1357.54  143.903  321.216   18.304  322.668   17.930 -1.451965 25.62279 
1 1 1   16   -6   23 f  195.228   10.957  485.886   53.201  483.199   75.446  488.543   75.030  192.562   15.830  193.725   15.643 -1.162231 22.25502 
1 1 1   16   -6   24 o  114.423   20.860  180.105   57.408  154.136  102.226  192.068   69.381  100.926   34.125  116.280   24.659 -15.35436 42.10142 
1 1 1   16   -6   25 o   58.668   16.190   46.682   24.494   44.006   29.216   53.013   44.937   57.509   18.175   64.202   22.588 -6.692654 28.99235 
1 1 1   16   -6   26 o  176.925   11.342  403.742   49.845  425.244   67.044  377.169   74.533  179.423   15.104  166.896   18.177 12.52739 23.63362 
1 1 1   16   -6   27 o   34.029   13.991   6.0932   19.110   7.2286   21.033   0.7215   45.751   35.841   14.701   47.236   20.601 -11.39557 25.30819 
1 1 1   16   -6   28 o  183.669   11.600  438.388   52.929  435.725   69.795  441.993   81.198  180.255   15.661  179.270   18.399 0.9851990 24.16165 
1 1 1   16   -6   29 o  106.077   39.342  225.787  138.633   0.0000   0.0000  225.787  138.633  ?   ?   106.077   39.342 0.000000 39.34229 
1 1 1   16   -6   30 o   84.599   17.392  101.431   35.514  104.773   36.405   35.651  161.524   85.920   17.560   76.178   35.372 9.741829 39.49069 
1 1 1   16   -6   31 o   36.314   14.800   9.4113   21.149   16.391   22.623 -38.9496   59.549   40.303   15.666   44.235   20.839 -3.931725 26.07100 
1 1 1   16   -5    0 o  214.198   10.357  575.231   55.399  516.007   79.019  632.481   77.691  201.719   15.814  223.801   13.971 -22.08221 21.10120 
1 1 1   16   -5    1 o  173.926   10.056  380.470   43.490  358.006   62.825  401.139   60.264  167.904   15.147  178.072   13.656 -10.16794 20.39409 
1 1 1   16   -5    2 o  347.448   12.468  1516.91  108.179  1512.90  154.007  1520.81  151.990  345.382   17.918  346.371   17.630 -0.9892273 25.13714 
1 1 1   16   -5    3 o  311.389   11.689  1217.69   90.892  1264.85  129.720  1172.19  127.393  316.048   16.493  304.129   16.840 11.91882 23.57134 
1 1 1   16   -5    4 o  544.931   17.463  3757.28  237.634  3881.31  337.157  3634.85  334.984  550.326   24.534  532.187   25.206 18.13977 35.17462 
1 1 1   16   -5    5 o  180.916   10.042  411.787   45.191  424.216   65.870  400.735   62.115  182.888   14.543  177.807   14.105 5.081345 20.25959 
1 1 1   16   -5    6 o  245.285   10.570  755.138   64.743  776.320   93.340  735.498   89.879  247.571   15.171  240.988   15.010 6.583237 21.34143 
1 1 1   16   -5    7 o  232.465   12.203  681.410   70.590  764.917  132.703  648.456   83.363  243.750   22.040  226.224   14.839 17.52531 26.56963 
1 1 1   16   -5    8 o  467.230   15.588  2758.66  181.873  2668.44  257.593  2848.33  256.823  456.538   22.595  472.086   21.785 -15.54846 31.38658 
1 1 1   16   -5    9 o  190.738   10.050  457.844   47.702  444.050   69.543  470.100   65.555  186.926   15.025  192.639   13.717 -5.713303 20.34483 
1 1 1   16   -5   10 o  501.662   16.464  3187.10  206.246  3189.09  293.030  3185.15  290.341  498.164   23.555  497.980   23.348 0.1836243 33.16586 
1 1 1   16   -5   11 o  284.749   16.632  1030.84  117.749  1011.12  172.314  1048.12  161.277  278.895   25.007  284.898   22.862 -6.003082 33.88243 
1 1 1   16   -5   12 o   89.299   18.870  105.204   40.763   72.070   71.334  121.269   49.672   79.416   28.404   95.551   21.354 -16.13467 35.53556 
1 1 1   16   -5   13 f  364.553   12.738  1674.65  115.962  1777.22  166.061  1577.03  162.004  373.934   17.784  351.527   18.520 22.40765 25.67612 
1 1 1   16   -5   14 o  221.176   10.236  614.542   56.533  654.636   82.784  579.504   77.388  227.092   14.676  213.629   14.594 13.46379 20.69725 
1 1 1   16   -5   15 o   72.661   14.016   68.902   24.510   67.501   39.187   69.802   31.412   71.770   20.714   72.673   17.515 -0.9030228 27.12642 
1 1 1   16   -5   16 o  433.278   14.540  2375.36  157.316  2543.55  225.128  2214.86  219.921  445.608   20.231  414.756   21.306 30.85187 29.38089 
1 1 1   16   -5   17 o  191.572   10.738  463.155   51.162  354.072   75.503  555.763   69.568  165.545   18.585  209.325   13.379 -43.78024 22.89961 
1 1 1   16   -5   18 o  344.351   13.179  1498.70  113.328  1390.22  162.337  1601.82  158.279  328.580   19.878  353.738   17.977 -25.15848 26.80145 
1 1 1   16   -5   19 o  206.858   14.307  545.106   73.450  580.505  102.716  508.063  105.074  211.685   19.655  197.137   21.703 14.54799 29.28094 
1 1 1   16   -5   20 o  157.695   10.864  315.048   42.522  241.522   62.723  377.579   57.844  135.820   19.014  172.046   13.574 -36.22647 23.36227 
1 1 1   16   -5   21 o  101.711   12.635  133.069   31.400  124.342   45.144  141.248   43.702   96.472   19.411  103.531   17.529 -7.058815 26.15496 
1 1 1   16   -5   22 o  185.829   10.957  438.392   50.621  429.010   72.822  447.164   70.416  182.069   16.186  186.263   15.273 -4.193558 22.25418 
1 1 1   16   -5   23 o  266.580   11.697  902.988   77.864  842.727  111.224  960.907  109.041  254.208   17.630  272.465   16.098 -18.25732 23.87359 
1 1 1   16   -5   24 o   76.306   14.986   77.525   27.538   77.790   35.183   77.105   44.244   75.537   18.742   74.994   22.116 0.5426025 28.98899 
1 1 1   16   -5   25 o  172.714   13.972  387.375   59.743  410.161  122.216  380.221   68.483  166.707   30.481  169.917   16.341 -3.209457 34.58495 
1 1 1   16   -5   26 o  169.089   17.795  382.958   74.010  430.692  124.921  357.141   91.868  169.050   30.723  159.133   23.853 9.917007 38.89607 
1 1 1   16   -5   27 o  147.335   11.001  279.869   40.183  229.404   51.431  358.944   64.379  130.977   16.061  164.290   15.891 -33.31270 22.59359 
1 1 1   16   -5   28 o  107.223   13.199  151.714   34.595  137.045   42.757  179.518   58.867   99.703   17.827  112.044   21.824 -12.34096 28.17994 
1 1 1   16   -5   29 o  207.026   18.802  590.488   96.141   0.0000   0.0000  590.488   96.141  ?   ?   207.026   18.802 0.000000 18.80158 
1 1 1   16   -5   30 o   46.416   16.775   25.987   24.952   25.987   24.952   0.0000   0.0000   46.416   16.775  ?   ?  0.000000 16.77515 
1 1 1   16   -5   31 o  134.022   15.626  245.641   51.314  220.205   53.807  501.176  170.546  125.347   17.681  152.691   42.934 -27.34425 46.43225 
1 1 1   16   -5   32 o   36.894   14.757   11.392   20.590   12.545   22.111   3.8661   56.498   38.252   15.295   50.506   22.424 -12.25447 27.14354 
1 1 1   16   -4    0 o  136.628   9.9690  235.141   33.778  210.207   49.066  257.602   46.570  128.265   15.643  142.589   13.230 -14.32384 20.48713 
1 1 1   16   -4    1 o  285.546   11.579  1023.10   82.562  934.958  117.264  1109.75  116.263  271.594   17.381  296.361   15.766 -24.76654 23.46670 
1 1 1   16   -4    2 o  149.313   9.7983  280.575   36.332  283.673   53.093  277.846   49.824  149.463   14.403  148.035   13.631 1.427643 19.83083 
1 1 1   16   -4    3 o  411.179   13.943  2127.25  143.165  2219.74  203.446  2036.51  201.501  418.506   19.467  400.140   20.231 18.36636 28.07616 
1 1 1   16   -4    4 o  124.747   10.430  196.518   32.192  194.872   47.126  197.959   44.079  123.353   15.651  124.569   14.438 -1.215469 21.29324 
1 1 1   16   -4    5 f  287.725   11.195  1039.20   80.437  1039.75  115.043  1038.67  112.510  286.538   16.144  286.476   15.788 0.6259155E-01 22.58063 
1 1 1   16   -4    6 o  195.979   11.391  483.921   55.505  409.254   95.437  522.086   68.232  177.896   21.949  203.222   13.522 -25.32587 25.77963 
1 1 1   16   -4    7 o  161.751   14.694  332.543   58.705  332.543   58.705   0.0000   0.0000  161.751   14.694  ?   ?  0.000000 14.69412 
1 1 1   16   -4    8 o  182.678   9.9922  419.876   45.410  402.427   66.095  435.475   62.494  177.967   15.012  185.460   13.589 -7.492691 20.24899 
1 1 1   16   -4    9 o  241.222   10.549  730.487   63.543  697.747   91.385  761.133   88.415  234.478   15.698  245.224   14.503 -10.74576 21.37162 
1 1 1   16   -4   10 o  139.603   10.022  245.810   34.704  265.348   52.203  230.336   46.457  144.274   14.695  134.446   14.045 9.828293 20.32698 
1 1 1   16   -4   11 o  241.294   10.413  731.057   62.743  712.439   90.617  748.202   86.960  236.936   15.399  243.078   14.390 -6.142441 21.07606 
1 1 1   16   -4   12 o  175.803   9.7905  389.057   42.811  410.049   63.254  371.314   58.155  179.713   14.211  171.057   13.730 8.655533 19.75991 
1 1 1   16   -4   13 o  207.375   14.928  546.186   76.790  566.287  116.778  530.872  101.925  208.904   22.753  202.958   20.386 5.945679 30.55014 
1 1 1   16   -4   14 o  484.059   22.940  3011.87  277.290  3172.72  396.446  2857.81  387.986  488.788   32.668  462.832   33.803 25.95599 47.00897 
1 1 1   16   -4   15 o  257.372   10.596  832.438   68.104  870.837   98.977  797.913   93.853  261.929   15.197  250.723   15.060 11.20557 21.39539 
1 1 1   16   -4   16 o  494.952   16.195  3106.83  200.173  3191.36  284.921  3024.44  281.289  497.795   22.920  484.384   23.255 13.41049 32.65172 
1 1 1   16   -4   17 o  175.353   10.225  387.725   44.580  358.629   67.160  410.644   59.606  167.346   16.277  179.870   13.366 -12.52417 21.06145 
1 1 1   16   -4   18 o  290.722   11.984  1065.25   87.006  925.864  125.651  1193.64  120.595  268.582   18.854  306.297   15.821 -37.71548 24.61208 
1 1 1   16   -4   19 o  262.379   11.514  867.538   75.442  731.310  109.193  991.958  104.354  238.519   18.477  279.282   15.018 -40.76363 23.81036 
1 1 1   16   -4   20 o  258.320   11.508  841.576   74.236  728.536  107.644  944.104  102.516  237.908   18.258  272.214   15.141 -34.30582 23.71920 
1 1 1   16   -4   21 o  142.525   14.138  260.317   49.656  261.154   66.649  259.274   74.443  141.196   19.416  139.758   22.062 1.437256 29.38947 
1 1 1   16   -4   22 o  308.339   12.717  1205.67   97.919  1041.54  139.979  1362.94  137.025  282.798   19.949  325.507   16.916 -42.70935 26.15559 
1 1 1   16   -4   23 o  328.749   12.948  1374.77  106.293  1243.31  151.303  1502.87  149.358  308.341   19.754  340.657   17.618 -32.31638 26.46892 
1 1 1   16   -4   24 o  229.528   11.144  668.420   63.876  589.792   90.815  745.406   89.862  212.646   17.251  240.394   15.045 -27.74754 22.88988 
1 1 1   16   -4   25 o  331.566   12.715  1406.23  105.277  1258.78  149.169  1552.56  148.600  308.280   19.477  344.509   17.328 -36.22903 26.06958 
1 1 1   16   -4   26 o   49.107   15.967   30.760   22.431   28.024   26.612   37.474   41.687   48.878   17.363   57.828   21.549 -8.950089 27.67332 
1 1 1   16   -4   27 o  160.641   14.861  338.993   58.939  320.927  118.505  344.930   67.937  142.613   33.793  160.740   17.192 -18.12689 37.91478 
1 1 1   16   -4   28 o   36.335   14.620   9.0959   20.340   12.579   22.228  -8.8341   50.429   39.101   15.431   47.443   21.118 -8.341648 26.15491 
1 1 1   16   -4   29 o   89.210   15.085  107.365   32.406  124.534   39.350   71.175   57.129   95.264   17.173   71.646   25.441 23.61816 30.69404 
1 1 1   16   -4   30 o  169.689   11.655  374.509   49.086  355.274   63.379  403.342   77.596  162.572   15.812  171.184   18.443 -8.612350 24.29320 
1 1 1   16   -4   31 o  119.255   13.133  188.876   38.461  194.139   47.032  178.251   66.827  119.123   16.233  107.682   25.284 11.44075 30.04649 
1 1 1   16   -4   32 o  102.205   18.024  148.060   44.320  158.207   45.926   10.559  169.062  105.704   18.046   74.581   35.128 31.12308 39.49271 
1 1 1   16   -4   33 o   76.851   16.313   83.917   30.338   86.230   34.127   75.201   66.245   76.951   18.068   70.080   26.926 6.870476 32.42672 
1 1 1   16   -3    0 o  358.866   15.534  1621.02  139.210  1391.83  170.315  2082.34  241.633  330.878   20.717  403.795   24.073 -72.91684 31.75987 
1 1 1   16   -3    1 o  267.520   11.129  897.405   74.348  931.613  106.360  864.716  103.970  271.547   15.753  261.534   15.996 10.01364 22.45061 
1 1 1   16   -3    2 o  319.848   11.878  1283.77   94.870  1305.40  135.169  1262.78  133.187  321.275   16.907  315.965   16.942 5.310089 23.93500 
1 1 1   16   -3    3 o  340.760   12.556  1458.30  106.844  1487.15  152.056  1430.18  150.163  342.656   17.832  335.977   17.963 6.679077 25.31100 
1 1 1   16   -3    4 o  333.783   12.332  1399.24  102.790  1432.08  146.367  1367.28  144.387  336.248   17.492  328.485   17.667 7.762573 24.86123 
1 1 1   16   -3    5 o  369.838   13.186  1719.77  121.780  1669.91  172.826  1768.95  171.625  362.558   19.157  373.864   18.383 -11.30649 26.55036 
1 1 1   16   -3    6 o  309.280   13.614  1203.62  105.147  1283.68  189.261  1167.88  126.459  315.935   24.172  303.609   16.744 12.32523 29.40543 
1 1 1   16   -3    7 o  391.807   13.565  1932.16  132.725  1906.69  188.507  1957.19  186.904  387.086   19.565  392.817   19.054 -5.731262 27.30997 
1 1 1   16   -3    8 f  329.887   12.017  1367.67   98.994  1467.11  141.569  1272.53  138.480  340.654   16.642  316.566   17.587 24.08832 24.21263 
1 1 1   16   -3    9 o  178.649   9.9743  401.579   44.320  360.054   64.558  438.595   60.952  168.172   15.549  186.209   13.193 -18.03691 20.39178 
1 1 1   16   -3   10 o  156.359   9.8382  307.883   38.218  343.926   56.404  277.290   51.966  164.639   13.848  147.631   14.274 17.00839 19.88731 
1 1 1   16   -3   11 o   84.610   11.970   91.769   24.586   94.470   37.822   89.792   32.354   84.685   18.410   82.877   16.214 1.807640 24.53182 
1 1 1   16   -3   12 o  137.922   9.8798  239.907   33.802  263.505   50.804  221.162   45.279  143.826   14.336  131.713   13.980 12.11278 20.02411 
1 1 1   16   -3   13 f  229.230   10.240  659.713   58.616  643.714   85.037  674.196   80.909  225.194   15.211  230.746   14.109 -5.551849 20.74701 
1 1 1   16   -3   14 f  167.253   9.7162  352.224   40.406  347.778   59.897  355.938   54.737  165.310   14.662  167.551   13.189 -2.240768 19.72082 
1 1 1   16   -3   15 o  361.660   15.112  1653.80  136.485  1672.59  243.091  1645.15  164.935  357.708   27.423  359.170   18.451 -1.461761 33.05230 
1 1 1   16   -3   16 o  430.824   20.789  2374.73  223.658  2558.99  321.656  2202.25  311.202  441.143   29.366  408.115   30.762 33.02817 42.52866 
1 1 1   16   -3   17 o  233.218   10.246  683.342   59.673  699.839   87.315  668.884   81.741  234.736   14.974  229.631   14.326 5.105194 20.72318 
1 1 1   16   -3   18 o  340.861   12.432  1464.58  105.817  1490.74  152.236  1440.13  147.188  341.717   17.903  335.973   17.605 5.744263 25.10832 
1 1 1   16   -3   19 o  136.933   10.843  237.351   36.775  191.493   56.201  271.687   48.631  121.008   19.243  146.049   13.486 -25.04134 23.49817 
1 1 1   16   -3   20 o  314.398   12.325  1247.24   96.763  1129.82  139.262  1356.84  134.545  296.587   18.902  326.149   16.574 -29.56219 25.13911 
1 1 1   16   -3   21 o  294.925   12.036  1098.02   88.646  879.268  127.274  1304.11  123.537  260.873   19.682  320.286   15.446 -59.41254 25.01904 
1 1 1   16   -3   22 o  344.820   12.822  1505.39  110.411  1290.02  157.994  1710.97  154.360  315.435   20.163  365.753   16.900 -50.31754 26.30922 
1 1 1   16   -3   23 f   69.102   18.290   63.759   32.055   68.483   38.667   53.377   57.319   71.662   20.545   69.045   25.352 2.616852 32.63195 
1 1 1   16   -3   24 o  154.009   10.989  301.664   41.984  231.808   59.311  371.816   59.437  132.618   18.406  170.107   14.120 -37.48807 23.19778 
1 1 1   16   -3   25 o  164.190   10.991  343.412   44.805  301.968   62.817  386.331   63.925  151.874   16.847  172.779   14.964 -20.90570 22.53296 
1 1 1   16   -3   26 o   85.092   13.761   95.175   28.242   93.992   35.708   97.152   46.153   83.353   17.702   83.658   21.853 -0.3050156 28.12311 
1 1 1   16   -3   27 o  110.576   11.708  158.004   31.837  123.290   40.795  212.079   50.916   95.407   17.777  126.375   16.530 -30.96750 24.27508 
1 1 1   16   -3   28 o  137.886   12.557  246.809   42.763  238.230   58.879  256.386   62.210  132.729   18.247  137.572   18.584 -4.843338 26.04428 
1 1 1   16   -3   29 o   84.158   33.889   92.764  109.387   92.764  109.387   0.0000   0.0000   84.158   33.889  ?   ?  0.000000 33.88892 
1 1 1   16   -3   30 o  217.007   11.966  610.634   64.596  584.291   86.105  644.546   97.693  208.686   16.662  217.883   18.120 -9.196487 24.61557 
1 1 1   16   -3   31 o   40.425   15.152   17.359   20.671   21.625   22.736  -2.9850   49.648   43.559   15.971   47.828   21.138 -4.268841 26.49324 
1 1 1   16   -3   32 o  106.458   13.437  151.371   34.925  142.940   41.780  170.927   63.633  101.449   17.100  105.894   24.543 -4.444458 29.91275 
1 1 1   16   -3   33 o   75.587   16.547   80.672   30.368  108.425   34.732  -9.4202   62.577   88.022   16.405   50.636   22.947 37.38610 28.20737 
1 1 1   16   -2    0 o  831.846   37.047  9013.82  769.567  8441.73  1086.30  9590.20  1090.38  783.130   55.915  839.776   52.254 -56.64514 76.53102 
1 1 1   16   -2    1 o  477.564   22.547  2894.51  268.885  2887.76  378.597  2901.39  381.946  472.007   32.315  473.007   32.534 -0.9995422 45.85492 
1 1 1   16   -2    2 o  432.584   20.705  2369.96  223.659  2267.76  314.929  2473.95  317.692  418.795   30.319  438.034   29.211 -19.23889 42.10102 
1 1 1   16   -2    3 o  169.232   13.728  362.249   57.516  330.901   78.506  398.569   84.504  160.492   20.024  176.474   19.501 -15.98186 27.95113 
1 1 1   16   -2    4 o  133.659   14.200  227.159   46.671  259.586   63.664  189.486   68.619  142.191   18.358  119.978   23.744 22.21341 30.01320 
1 1 1   16   -2    5 o  311.205   24.323  1243.24  187.519   0.0000   0.0000  1243.24  187.519  ?   ?   311.205   24.323 0.000000 24.32286 
1 1 1   16   -2    6 o  303.583   23.669  1182.81  178.018  1182.81  178.018   0.0000   0.0000  303.583   23.669  ?   ?  0.000000 23.66910 
1 1 1   16   -2    7 o  623.775   20.009  4938.60  311.675  4808.05  441.143  5068.72  440.409  610.065   28.957  626.977   28.129 -16.91113 40.37009 
1 1 1   16   -2    8 o  179.813   9.6940  406.506   43.368  420.000   63.135  394.452   59.673  182.116   13.990  176.518   13.643 5.597717 19.54105 
1 1 1   16   -2    9 f  379.674   13.226  1813.98  125.401  1853.17  178.443  1775.75  176.265  382.273   18.693  373.668   18.952 8.605194 26.61953 
1 1 1   16   -2   10 o  343.077   12.438  1480.15  106.562  1439.10  151.942  1519.89  149.489  336.469   18.151  346.507   17.276 -10.03845 25.05818 
1 1 1   16   -2   11 o  466.066   15.379  2742.89  178.988  2801.78  254.372  2685.14  251.902  468.427   21.746  458.452   22.003 9.975372 30.93584 
1 1 1   16   -2   12 o   79.835   12.225   81.977   23.596   84.042   36.169   80.448   31.133   79.812   18.507   78.320   16.442 1.492561 24.75597 
1 1 1   16   -2   13 o  336.188   12.502  1422.40  104.961  1339.38  149.791  1502.50  147.119  324.184   18.581  344.340   17.109 -20.15588 25.25791 
1 1 1   16   -2   14 o  302.330   11.422  1149.03   86.231  1129.36  123.821  1167.55  120.161  298.141   16.698  303.392   15.916 -5.251038 23.06819 
1 1 1   16   -2   15 o  284.578   11.301  1018.07   80.309  944.818  115.455  1086.74  111.782  272.464   17.055  292.798   15.341 -20.33456 22.93968 
1 1 1   16   -2   16 o  312.157   11.608  1225.66   90.487  1240.99  130.227  1211.34  125.823  312.437   16.752  308.793   16.376 3.643890 23.42648 
1 1 1   16   -2   17 o  200.491   11.794  507.556   58.787  554.647  115.498  491.091   68.295  206.616   22.763  196.753   13.991 9.862976 26.71901 
1 1 1   16   -2   18 o  146.781   16.084  276.200   57.990  219.355   94.788  310.204   73.311  126.770   30.346  154.792   19.391 -28.02157 36.01236 
1 1 1   16   -2   19 o  176.036   10.032  390.560   43.917  381.040   65.445  398.360   59.234  172.799   15.325  177.133   13.493 -4.333588 20.41860 
1 1 1   16   -2   20 f  312.781   11.727  1232.42   91.595  1182.40  132.549  1278.14  126.717  304.243   17.520  316.919   16.064 -12.67609 23.77018 
1 1 1   16   -2   21 o   47.045   16.348   25.382   23.504   2.1067   36.071   42.556   30.985   44.281   18.783   58.307   18.748 -14.02579 26.53867 
1 1 1   16   -2   22 o  186.827   10.799  441.137   50.167  377.204   73.605  496.604   68.558  170.992   17.484  197.482   13.993 -26.49013 22.39371 
1 1 1   16   -2   23 o  181.925   10.673  418.699   48.277  343.785   70.399  485.204   66.330  162.902   17.584  195.097   13.702 -32.19458 22.29229 
1 1 1   16   -2   24 o   49.184   16.336   29.611   23.433   40.670   30.706   14.188   36.261   57.011   18.688   48.057   19.455 8.953442 26.97719 
1 1 1   16   -2   25 o  224.994   13.370  647.254   74.781  459.375   98.156  907.154  115.447  185.846   21.550  264.333   17.590 -78.48695 27.81758 
1 1 1   16   -2   26 o  191.601   10.634  466.716   50.681  353.833   70.622  586.576   72.772  164.178   17.495  213.650   13.712 -49.47198 22.22854 
1 1 1   16   -2   27 o  108.089   11.781  150.690   31.283   98.944   40.263  229.508   49.692   85.003   19.396  132.380   15.315 -47.37666 24.71354 
1 1 1   16   -2   28 o  151.883   17.038  306.333   63.506   0.0000   0.0000  306.333   63.506  ?   ?   151.883   17.038 0.000000 17.03770 
1 1 1   16   -2   29 o   55.175   16.407   40.874   24.270   39.585   26.704   46.995   58.192   54.740   17.384   65.012   25.166 -10.27224 30.58639 
1 1 1   16   -2   30 o   29.598   12.849  -1.6687   17.626   1.1558   19.180 -17.0097   44.699   32.008   13.641   42.878   19.416 -10.86971 23.72830 
1 1 1   16   -2   31 o  110.714   22.884  177.564   61.177  218.719  121.549  163.601   70.798  111.151   37.212  103.408   27.092 7.743172 46.02948 
1 1 1   16   -2   32 o   28.655   12.475  -1.7534   16.710   8.8916   17.717 -87.4698   50.274   34.332   13.704   34.690   17.014 -0.3576736 21.84627 
1 1 1   16   -2   33 o   86.332   14.525  101.394   30.203   97.624   34.778  112.960   60.920   83.344   17.277   84.819   26.158 -1.475174 31.34908 
1 1 1   16   -2   34 o   43.698   15.831   23.073   22.243   26.730   24.091   1.9388   57.911   46.212   16.509   51.079   22.689 -4.866947 28.05949 
1 1 1   16   -1    0 o  202.758   10.012  514.841   50.695  529.959   72.868  500.660   70.574  204.902   14.331  199.136   14.287 5.765823 20.23616 
1 1 1   16   -1    1 o  506.805   16.562  3233.91  209.604  3180.09  296.871  3287.41  295.979  500.374   23.759  508.915   23.290 -8.541321 33.26995 
1 1 1   16   -1    2 o  578.111   18.441  4217.62  266.227  4242.98  376.953  4192.37  376.053  576.757   26.172  573.262   26.269 3.494812 37.08180 
1 1 1   16   -1    3 o   99.227   11.061  124.940   26.940  126.302   39.770  123.785   36.623   98.801   16.715   98.020   15.476 0.7810440 22.77916 
1 1 1   16   -1    4 o  271.615   10.534  924.619   71.451  921.030  102.222  928.047   99.912  270.118   15.216  271.227   14.807 -1.108307 21.23206 
1 1 1   16   -1    5 o  468.562   15.487  2764.65  181.213  2853.50  257.415  2677.35  255.149  474.092   21.743  459.044   22.258 15.04807 31.11563 
1 1 1   16   -1    6 o  253.589   15.131  812.589   95.382  778.214  132.934  849.064  136.935  246.566   21.815  257.721   21.473 -11.15549 30.61001 
1 1 1   16   -1    7 o  230.586   14.826  672.266   84.915  693.818  118.214  649.292  122.055  232.959   20.531  224.906   22.014 8.052994 30.10222 
1 1 1   16   -1    8 o  115.056   14.505  169.277   40.749  174.976   54.574  162.095   61.260  115.963   19.541  110.811   22.896 5.151695 30.10055 
1 1 1   16   -1    9 o  369.004   18.675  1729.72  171.523  1763.62  241.820  1695.41  243.328  369.509   26.380  361.916   27.121 7.593658 37.83463 
1 1 1   16   -1   10 o  299.715   11.802  1128.56   88.330  1075.10  126.337  1179.68  123.546  290.965   17.468  305.164   16.271 -14.19983 23.87239 
1 1 1   16   -1   11 o  392.685   13.497  1941.51  132.354  1893.45  188.306  1988.44  186.067  385.540   19.624  395.849   18.823 -10.30948 27.19185 
1 1 1   16   -1   12 o  122.712   10.096  190.187   30.663  175.541   45.789  202.096   41.288  116.789   16.131  126.007   13.323 -9.217865 20.92155 
1 1 1   16   -1   13 o  272.821   10.809  934.673   73.638  924.602  106.036  944.056  102.342  270.031   15.794  273.052   15.067 -3.021729 21.82820 
1 1 1   16   -1   14 o  199.857   9.9838  501.234   49.827  484.709   72.812  515.789   68.334  195.356   15.041  201.854   13.636 -6.497299 20.30235 
1 1 1   16   -1   15 o  328.127   12.178  1354.67   99.788  1303.32  142.799  1403.67  139.502  319.945   17.945  332.441   16.859 -12.49561 24.62262 
1 1 1   16   -1   16 o   68.617   13.623   61.410   22.519   40.118   35.192   76.174   29.304   58.436   20.021   76.217   15.910 -17.78119 25.57280 
1 1 1   16   -1   17 o  121.524   10.441  186.832   31.376  195.887   47.924  180.039   41.510  123.427   15.920  118.592   14.306 4.835114 21.40293 
1 1 1   16   -1   18 o  110.643   10.653  155.223   29.071  155.402   45.444  155.099   37.822  109.399   17.202  109.972   14.097 -0.5728226 22.24075 
1 1 1   16   -1   19 o  158.840   10.019  318.108   39.536  299.572   59.826  332.480   52.678  152.981   15.892  161.846   13.148 -8.865295 20.62577 
1 1 1   16   -1   20 o  238.453   15.704  723.650   92.991  786.410  142.274  676.844  122.867  245.848   23.459  228.578   21.789 17.26999 32.01711 
1 1 1   16   -1   21 o  263.150   12.132  872.884   79.725  834.181   99.891  940.798  132.324  255.976   15.703  270.436   19.730 -14.45979 25.21624 
1 1 1   16   -1   22 o  409.484   13.925  2122.11  142.395  1939.79  203.728  2296.25  199.105  387.604   21.128  423.608   18.822 -36.00400 28.29582 
1 1 1   16   -1   23 o  227.667   11.146  653.426   63.366  573.341   91.944  725.873   87.451  211.080   17.604  238.671   14.745 -27.59128 22.96329 
1 1 1   16   -1   24 o  207.342   10.242  541.753   53.031  424.257   76.950  648.037   73.186  181.226   17.210  225.770   13.037 -44.54353 21.59007 
1 1 1   16   -1   25 o  352.789   13.187  1581.65  116.175  1314.26  165.410  1841.95  163.205  316.745   21.032  378.353   17.274 -61.60849 27.21617 
1 1 1   16   -1   26 o   93.020   13.623  112.581   30.707   88.762   42.029  139.853   44.973   80.769   20.733  102.460   18.246 -21.69100 27.61801 
1 1 1   16   -1   27 o   95.425   15.344  120.037   35.325   85.844   40.152  237.167   74.314   79.221   20.226  131.305   23.528 -52.08408 31.02713 
1 1 1   16   -1   28 o  228.874   11.174  667.253   63.864  621.141   89.732  714.586   90.914  217.676   16.634  234.188   15.636 -16.51169 22.82881 
1 1 1   16   -1   29 o  169.018   11.490  366.984   48.207  341.094   65.001  398.631   71.865  160.590   16.441  173.509   16.796 -12.91902 23.50346 
1 1 1   16   -1   30 o   87.221   13.562  100.670   28.580   86.463   34.336  132.708   51.564   79.239   17.788   96.757   21.857 -17.51802 28.18060 
1 1 1   16   -1   31 o   45.609   15.729   25.588   21.738   41.311   24.392 -35.0889   47.918   55.272   16.451   41.059   19.131 14.21283 25.23207 
1 1 1   16   -1   32 o   62.470   23.067   49.289   47.555  138.921  117.154   31.607   52.034   92.777   35.765   57.925   23.356 34.85127 42.71602 
1 1 1   16   -1   33 o   59.330   23.630   37.555   52.575   61.120  119.114   31.853   58.592   77.108   33.437   59.380   24.467 17.72829 41.43246 
1 1 1   16   -1   34 o  172.615   13.314  395.192   56.948  435.097   72.970  333.017   91.083  178.377   16.571  147.469   25.666 30.90807 30.55025 
1 1 1   16   -1   35 o  103.844   14.933  147.835   37.609  163.088   44.549  109.996   70.165  107.713   17.136   81.366   28.248 26.34716 33.03957 
1 1 1   16    0    0 o  290.561   11.553  1058.15   83.830  1092.79  119.309  1024.36  117.812  294.287   16.299  284.831   16.636 9.455353 23.28934 
1 1 1   16    0    1 o  280.186   11.444  983.936   80.070  923.872  113.451  1043.55  113.023  270.383   16.887  287.631   15.796 -17.24817 23.12333 
1 1 1   16    0    2 o  177.645   9.7008  396.306   42.871  360.046   61.314  430.991   59.967  168.640   14.707  184.864   13.074 -16.22417 19.67810 
1 1 1   16    0    3 o   81.731   12.243   85.623   24.219   82.010   35.588   88.741   33.055   79.074   18.373   82.505   16.618 -3.430367 24.77360 
1 1 1   16    0    4 o  477.272   22.209  2889.23  264.697   0.0000   0.0000  2889.23  264.697  ?   ?   477.272   22.209 0.000000 22.20916 
1 1 1   16    0    5 o  319.708   17.405  1292.90  138.432  1292.90  138.432   0.0000   0.0000  319.708   17.405  ?   ?  0.000000 17.40484 
1 1 1   16    0    6 o  410.216   14.071  2115.73  144.142  2045.41  204.293  2185.45  203.404  401.301   20.454  415.569   19.600 -14.26877 28.32912 
1 1 1   16    0    7 o  224.445   10.204  631.411   57.189  616.872   81.901  645.244   79.891  220.870   14.937  226.045   14.226 -5.174637 20.62724 
1 1 1   16    0    8 o  266.446   10.834  890.467   72.086  878.645  103.052  901.794  100.872  263.553   15.730  267.130   15.184 -3.577850 21.86291 
1 1 1   16    0    9 o  458.400   15.382  2649.02  176.080  2582.64  249.721  2714.65  248.314  450.289   22.208  461.930   21.527 -11.64026 30.92888 
1 1 1   16    0   10 o  293.754   16.098  1092.50  117.636  1048.76  165.077  1137.63  167.678  285.628   23.348  297.774   22.721 -12.14636 32.57873 
1 1 1   16    0   11 o  352.682   17.934  1579.11  157.425  1476.80  221.497  1683.55  223.787  337.759   26.473  361.451   24.946 -23.69174 36.37467 
1 1 1   16    0   12 o  197.085   13.758  491.518   67.285  476.509   93.971  507.308   96.384  192.665   19.814  198.893   19.663 -6.228348 27.91510 
1 1 1   16    0   13 o  332.266   12.223  1388.23  101.417  1307.73  145.127  1465.06  141.781  320.626   18.201  340.304   16.684 -19.67831 24.69065 
1 1 1   16    0   14 o  160.854   9.7568  325.741   39.006  296.070   57.726  350.671   52.913  152.361   15.383  166.435   12.830 -14.07419 20.03103 
1 1 1   16    0   15 o  525.749   16.984  3501.36  222.980  3367.06  316.367  3633.93  314.325  511.460   24.770  532.042   23.658 -20.58185 34.25304 
1 1 1   16    0   16 o  127.926   10.126  206.678   32.084  212.489   48.802  202.253   42.580  128.769   15.487  125.933   13.764 2.836800 20.71970 
1 1 1   16    0   17 o   94.852   11.221  114.627   26.063   92.279   40.291  130.707   34.177   83.493   19.651  100.876   13.940 -17.38290 24.09333 
1 1 1   16    0   18 o  222.097   10.192  619.370   56.528  590.208   82.842  644.779   77.327  215.480   15.499  225.675   13.788 -10.19458 20.74396 
1 1 1   16    0   19 o  289.138   11.211  1051.20   80.948  1027.46  116.841  1073.12  112.251  284.227   16.533  290.809   15.513 -6.582245 22.67187 
1 1 1   16    0   20 o  174.128   10.027  382.050   43.414  339.260   64.649  417.196   58.591  162.846   16.109  181.442   13.018 -18.59563 20.71131 
1 1 1   16    0   21 o  351.430   12.456  1556.73  109.310  1419.24  156.695  1687.07  152.562  333.004   18.921  364.454   16.763 -31.44998 25.27881 
1 1 1   16    0   22 o  119.272   18.261  185.369   52.657  182.287   94.595  186.752   63.386  115.174   31.830  118.639   22.212 -3.465584 38.81359 
1 1 1   16    0   23 f  201.193   11.963  512.307   59.835  440.694   75.205  635.842   98.774  185.417   16.412  222.460   17.933 -37.04393 24.30899 
1 1 1   16    0   24 f  220.522   10.625  612.643   58.512  488.587   85.290  722.937   80.420  194.650   17.742  238.519   13.558 -43.86906 22.32885 
1 1 1   16    0   25 o  136.749   10.703  237.324   36.259  200.231   52.212  271.876   50.392  123.844   17.360  145.624   14.031 -21.77991 22.32099 
1 1 1   16    0   26 o  137.595   11.043  240.914   37.625  184.013   53.295  297.452   53.124  117.945   18.720  152.131   14.146 -34.18619 23.46383 
1 1 1   16    0   27 o  166.258   15.112  357.474   62.056   0.0000   0.0000  357.474   62.056  ?   ?   166.258   15.112 0.000000 15.11191 
1 1 1   16    0   28 o   83.792   16.671   94.036   33.656   82.182   37.232  147.003   78.704   77.616   19.293  100.848   29.428 -23.23215 35.18808 
1 1 1   16    0   29 o  286.986   16.041  1075.38  114.497  969.612  151.731  1215.25  174.491  266.390   23.036  297.691   23.668 -31.30133 33.02736 
1 1 1   16    0   30 o  104.688   12.691  142.881   32.498  118.623   40.425  187.199   54.642   93.296   18.004  117.113   19.360 -23.81766 26.43800 
1 1 1   16    0   31 o  128.118   12.010  212.895   37.977  198.850   48.282  235.681   61.500  121.930   16.263  131.202   19.352 -9.272079 25.27775 
1 1 1   16    0   32 o  151.878   11.565  298.545   43.533  249.351   55.728  375.567   69.730  136.115   16.748  167.247   16.929 -31.13206 23.81398 
1 1 1   16    0   33 o   66.804   15.297   61.199   24.969   43.900   28.128  125.507   54.233   56.819   17.816   92.207   23.488 -35.38780 29.48042 
1 1 1   16    0   34 o   66.977   24.459   61.402   53.245  146.749  128.308   43.647   58.522   92.212   36.854   62.429   24.910 29.78319 44.48279 
1 1 1   16    0   35 o  115.879   13.964  180.479   39.594  199.697   46.943  133.100   73.705  120.705   15.966   89.623   28.926 31.08171 33.03945 
1 1 1   16    1    0 o  366.272   12.873  1682.70  117.740  1699.57  166.956  1666.01  166.068  367.271   18.204  363.145   18.373 4.126007 25.86366 
1 1 1   16    1    1 o  243.185   10.519  740.693   63.880  730.170   90.981  750.925   89.713  240.574   15.223  244.052   14.790 -3.477936 21.22476 
1 1 1   16    1    2 o  240.325   10.501  723.414   63.018  749.683   89.997  698.144   88.269  243.822   14.852  235.219   15.107 8.603241 21.18512 
1 1 1   16    1    3 o  169.858   9.8838  362.494   41.743  336.168   60.016  387.164   58.097  162.881   14.921  175.125   13.386 -12.24361 20.04565 
1 1 1   16    1    4 o  436.757   17.116  2403.14  186.681  2372.02  229.081  2464.66  322.093  432.895   21.191  437.513   29.656 -4.618439 36.44923 
1 1 1   16    1    5 o  290.016   11.242  1054.42   81.418  1072.84  116.110  1036.60  114.200  291.507   16.012  286.524   16.025 4.982849 22.65333 
1 1 1   16    1    6 o  186.853   9.5699  438.406   44.504  468.859   64.035  409.954   61.896  192.747   13.387  180.097   13.869 12.65025 19.27613 
1 1 1   16    1    7 o  197.920   9.6214  490.694   47.553  469.171   68.040  511.247   66.488  192.643   14.245  201.294   13.302 -8.650406 19.48979 
1 1 1   16    1    8 o  393.633   13.712  1948.14  134.782  1888.10  191.244  2007.39  189.983  385.546   19.932  398.280   19.102 -12.73331 27.60726 
1 1 1   16    1    9 o  223.178   10.274  624.464   57.259  583.846   81.879  663.338   80.103  214.719   15.372  229.188   14.064 -14.46930 20.83499 
1 1 1   16    1   10 o  127.623   9.8135  205.359   31.036  191.324   45.609  217.462   42.354  122.283   15.269  130.867   13.138 -8.583992 20.14262 
1 1 1   16    1   11 o  267.073   10.740  894.997   71.631  887.658  102.537  901.993  100.109  264.816   15.574  267.068   15.072 -2.251404 21.67315 
1 1 1   16    1   12 o  252.831   10.522  802.072   66.434  819.052   95.519  786.163   92.459  254.400   15.103  249.262   14.923 5.137726 21.23196 
1 1 1   16    1   13 o  181.288   13.493  416.014   60.647  376.069   84.324  458.816   87.287  170.848   20.153  189.300   18.710 -18.45221 27.49901 
1 1 1   16    1   14 f  124.559   13.662  197.710   41.799  214.979   58.668  179.909   59.566  128.862   18.784  117.109   21.147 11.75277 28.28466 
1 1 1   16    1   15 o  437.833   20.928  2444.74  228.820  2248.99  322.885  2642.24  324.319  413.472   31.509  450.038   29.013 -36.56528 42.83185 
1 1 1   16    1   16 o   53.086   14.907   36.559   20.573   15.802   31.508   51.984   27.162   46.611   18.379   62.999   16.911 -16.38855 24.97520 
1 1 1   16    1   17 o  100.423   10.711  128.073   26.446  133.700   40.966  124.052   34.629  101.469   16.752   98.110   14.578 3.359230 22.20666 
1 1 1   16    1   18 o  185.472   9.9357  432.961   45.851  380.411   67.673  477.557   62.341  172.709   15.868  194.300   12.922 -21.59129 20.46427 
1 1 1   16    1   19 o  293.090   11.482  1080.23   84.039  988.102  120.829  1166.55  116.963  278.501   17.462  303.314   15.494 -24.81317 23.34484 
1 1 1   16    1   20 o  132.111   10.301  220.525   33.714  160.760   51.536  265.236   44.576  110.801   19.329  144.597   12.467 -33.79581 23.00041 
1 1 1   16    1   21 o   98.321   11.558  123.279   27.837   90.853   42.561  147.521   36.799   82.683   20.669  107.187   14.090 -24.50420 25.01465 
1 1 1   16    1   22 o   62.085   15.416   50.737   23.791   60.837   36.864   43.527   31.145   68.365   20.195   58.911   18.781 9.454056 27.57815 
1 1 1   16    1   23 f  179.414   10.035  405.833   44.778  419.200   66.693  394.861   60.422  181.329   14.859  176.194   13.844 5.135071 20.30891 
1 1 1   16    1   24 o  288.293   16.941  1062.83  121.423  1187.63  184.899  968.196  161.005  300.844   24.834  271.922   23.955 28.92252 34.50469 
1 1 1   16    1   25 o   96.442   14.470  120.596   33.774  137.305   42.282   91.140   56.140  102.351   17.150   82.771   25.031 19.57973 30.34242 
1 1 1   16    1   26 o  242.272   10.529  740.573   63.698  567.139   91.685  902.386   88.560  209.357   17.703  266.608   13.302 -57.25130 22.14376 
1 1 1   16    1   27 o  152.019   10.891  293.747   41.070  193.280   58.569  390.941   57.607  120.323   20.209  174.779   13.299 -54.45581 24.19198 
1 1 1   16    1   28 o   63.225   16.319   53.521   25.940   35.981   30.226  102.549   50.533   54.308   18.555   86.203   23.035 -31.89525 29.57853 
1 1 1   16    1   29 o   96.768   12.342  121.367   29.146   98.779   37.454  156.045   46.407   85.414   18.121  108.032   17.824 -22.61843 25.41772 
1 1 1   16    1   30 o   98.728   14.917  128.846   35.630   99.213   38.740  291.444   90.748   85.113   18.735  142.844   26.413 -57.73102 32.38295 
1 1 1   16    1   31 o   93.647   16.013  117.696   36.102  125.348   38.729   66.968   99.720   96.440   16.686   78.915   32.147 17.52437 36.21930 
1 1 1   16    1   32 o   74.238   14.861   74.343   26.589   74.164   31.218   74.813   50.743   73.374   17.316   73.119   24.027 0.2558975 29.61669 
1 1 1   16    1   33 o   93.128   13.359  114.844   30.177   95.100   35.671  164.546   56.597   82.863   17.772  107.402   21.846 -24.53857 28.16161 
1 1 1   16    1   34 o   56.785   15.886   44.288   23.411   32.655   25.960   94.967   54.185   50.428   17.196   79.907   24.674 -29.47984 30.07514 
1 1 1   16    1   35 o  160.750   13.052  340.970   51.940  348.717   65.996  328.365   84.190  159.852   16.784  149.519   23.308 10.33334 28.72218 
1 1 1   16    1   36 o  107.442   25.532  181.101   67.491  189.473  147.655  178.890   75.882   95.854   39.090  104.071   28.404 -8.217133 48.32056 
1 1 1   16    2    0 o  473.493   15.705  2817.85  185.701  2876.57  263.096  2759.54  262.147  476.867   22.094  466.959   22.481 9.907867 31.52021 
1 1 1   16    2    1 o  208.366   10.201  543.625   53.081  510.888   75.612  575.438   74.536  201.091   15.169  213.652   14.049 -12.56073 20.67522 
1 1 1   16    2    2 o  147.521   9.6891  273.597   35.495  273.660   51.104  273.538   49.338  146.977   14.097  147.019   13.593 -0.4170227E-01 19.58236 
1 1 1   16    2    3 o  107.429   12.757  146.778   33.554  104.379   68.140  160.350   38.552   90.279   27.636  112.144   14.077 -21.86494 31.01436 
1 1 1   16    2    4 o  347.833   12.446  1517.53  108.107  1514.33  153.245  1520.71  152.531  346.204   17.786  346.962   17.663 -0.7581177 25.06614 
1 1 1   16    2    5 o  171.323   9.6707  368.694   41.205  393.257   59.106  345.471   57.472  176.469   13.515  165.252   14.061 11.21671 19.50312 
1 1 1   16    2    6 o  279.222   11.081  977.293   77.263  1024.80  110.077  931.162  108.474  284.977   15.527  271.502   16.071 13.47482 22.34612 
1 1 1   16    2    7 o  358.741   12.873  1615.85  115.322  1561.97  163.589  1669.07  162.595  351.144   18.724  363.660   17.904 -12.51614 25.90639 
1 1 1   16    2    8 f  209.526   10.151  550.147   53.111  492.878   75.671  605.750   74.563  197.253   15.487  219.113   13.696 -21.86057 20.67403 
1 1 1   16    2    9 o   82.020   11.651   86.085   23.193   67.427   34.064  102.209   31.667   71.714   18.794   88.958   14.773 -17.24378 23.90538 
1 1 1   16    2   10 o  225.646   10.066  638.268   56.719  636.576   81.441  639.862   79.039  224.390   14.614  225.061   14.135 -0.6705933 20.33144 
1 1 1   16    2   11 f  126.993   9.7539  203.332   30.696  206.120   45.417  200.988   41.648  127.119   14.570  125.700   13.478 1.419205 19.84847 
1 1 1   16    2   12 o  127.398   9.8923  204.715   31.224  190.318   45.913  217.104   42.590  121.898   15.428  130.718   13.230 -8.819664 20.32365 
1 1 1   16    2   13 o  259.332   10.735  844.035   69.519  843.433  100.015  844.598   96.697  258.052   15.594  258.355   15.053 -0.3029480 21.67416 
1 1 1   16    2   14 o  161.813   9.6567  329.485   38.843  315.174   57.094  341.817   52.998  157.432   14.692  164.313   13.023 -6.880753 19.63331 
1 1 1   16    2   15 o  163.708   9.8128  337.349   39.931  307.254   58.767  363.161   54.424  155.268   15.358  169.385   12.965 -14.11659 20.09869 
1 1 1   16    2   16 o  262.733   15.160  874.371   99.039  824.633  139.754  924.552  140.374  253.006   22.350  268.430   21.112 -15.42407 30.74426 
1 1 1   16    2   17 o  134.164   13.297  228.899   43.964  179.188   61.910  279.469   62.442  116.580   22.074  147.548   17.274 -30.96883 28.02974 
1 1 1   16    2   18 o   96.832   14.514  120.866   34.014   99.912   48.213  141.630   47.994   86.732   22.175  103.962   19.194 -17.22977 29.32773 
1 1 1   16    2   19 o  327.040   12.197  1345.89   99.613  1229.86  142.794  1455.88  139.029  310.541   18.498  339.072   16.420 -28.53110 24.73383 
1 1 1   16    2   20 o  215.606   9.9903  583.564   53.788  543.152   79.174  618.203   73.301  206.679   15.452  221.056   13.341 -14.37711 20.41474 
1 1 1   16    2   21 o  145.558   9.9141  267.219   35.822  251.238   54.366  279.481   47.621  140.011   15.827  148.356   12.985 -8.345184 20.47213 
1 1 1   16    2   22 o  216.915   10.247  591.130   55.507  478.811   81.516  688.232   75.793  193.464   17.047  233.251   13.065 -39.78738 21.47779 
1 1 1   16    2   23 o  293.070   11.460  1081.21   83.871  964.971  121.004  1188.69  116.354  274.778   17.729  306.343   15.210 -31.56561 23.35948 
1 1 1   16    2   24 o  283.194   11.192  1009.85   79.147  912.697  114.369  1099.13  109.642  267.172   17.234  294.109   14.978 -26.93637 22.83326 
1 1 1   16    2   25 o   55.186   16.356   39.383   24.149   54.276   35.070   25.955   33.301   64.799   19.825   51.368   19.236 13.43173 27.62344 
1 1 1   16    2   26 o  180.365   16.977  419.592   75.567  316.777  124.689  479.276   95.001  149.448   34.156  191.672   20.150 -42.22360 39.65700 
1 1 1   16    2   27 o  129.061   12.511  213.084   39.815  170.397   48.807  297.998   68.838  113.832   17.749  150.878   18.669 -37.04581 25.75957 
1 1 1   16    2   28 o  162.713   10.558  336.174   42.670  264.366   60.188  408.734   60.502  142.135   17.315  178.524   13.675 -36.38901 22.06429 
1 1 1   16    2   29 o  111.643   11.477  159.954   31.542  143.609   41.794  181.581   48.076  104.179   16.624  117.302   16.900 -13.12250 23.70590 
1 1 1   16    2   30 o   50.243   15.760   32.630   22.007   39.217   26.319   17.323   40.121   54.854   17.239   50.377   20.440 4.476982 26.73941 
1 1 1   16    2   31 o  128.269   11.421  211.768   36.199  193.783   47.007  237.976   56.744  120.954   15.952  133.528   17.434 -12.57368 23.63050 
1 1 1   16    2   32 o   91.560   16.564  113.275   36.478  114.814   38.887  101.993  105.283   91.778   17.608   86.929   33.794 4.848915 38.10596 
1 1 1   16    2   33 o  176.380   12.626  403.904   55.242  405.861   73.581  401.377   83.626  174.058   17.152  171.098   19.947 2.960159 26.30703 
1 1 1   16    2   34 o  124.716   13.447  204.770   41.216  231.414   51.952  159.516   67.706  131.210   16.200  102.841   26.269 28.36871 30.86264 
1 1 1   16    2   35 o   43.748   15.355   23.296   20.759   21.302   22.583   34.165   52.721   43.346   15.914   58.559   23.546 -15.21284 28.41939 
1 1 1   16    2   36 o  139.299   13.328  257.532   45.795  262.379   56.743  248.476   77.559  138.313   16.771  127.802   25.198 10.51118 30.26898 
1 1 1   16    3    0 o  616.422   19.406  4791.82  298.727  4850.29  422.795  4733.54  422.135  617.126   27.435  609.523   27.734 7.603455 39.01085 
1 1 1   16    3    1 o  298.888   11.563  1119.41   86.301  1100.13  122.513  1138.39  121.590  295.275   16.684  300.458   16.266 -5.183380 23.30073 
1 1 1   16    3    2 o  275.715   13.619  953.941   93.771   0.0000   0.0000  953.941   93.771  ?   ?   275.715   13.619 0.000000 13.61940 
1 1 1   16    3    3 o  128.237   14.703  209.215   46.233  209.215   46.233   0.0000   0.0000  128.237   14.703  ?   ?  0.000000 14.70293 
1 1 1   16    3    4 o  296.743   10.759  1103.11   79.726  1164.79  113.445  1042.92  112.066  304.463   14.921  287.586   15.664 16.87744 21.63314 
1 1 1   16    3    5 o  317.446   12.014  1263.62   95.241  1186.32  134.890  1340.46  134.492  306.322   17.710  325.917   16.580 -19.59518 24.25922 
1 1 1   16    3    6 o  182.963   9.8826  420.449   44.985  457.364   64.601  385.696   62.680  190.357   13.681  174.598   14.507 15.75830 19.94094 
1 1 1   16    3    7 o  351.074   12.490  1546.72  109.497  1617.56  155.680  1477.37  154.038  358.175   17.406  341.700   18.117 16.47458 25.12331 
1 1 1   16    3    8 o  160.066   9.6346  322.071   38.332  284.932   54.983  357.189   53.466  149.774   14.899  168.184   12.827 -18.40994 19.65987 
1 1 1   16    3    9 f  449.747   14.799  2545.47  166.203  2421.58  235.322  2668.79  234.773  436.746   21.577  458.870   20.488 -22.12311 29.75439 
1 1 1   16    3   10 o  335.707   12.203  1415.11  102.304  1349.36  145.263  1479.81  144.104  326.289   17.896  342.423   16.852 -16.13461 24.58213 
1 1 1   16    3   11 o  325.205   12.067  1328.17   97.997  1279.20  139.409  1375.99  137.784  317.640   17.645  329.706   16.790 -12.06570 24.35691 
1 1 1   16    3   12 o  113.629   10.231  163.214   28.720   99.301   42.082  218.941   39.295   86.783   19.849  131.471   12.105 -44.68867 23.24922 
1 1 1   16    3   13 o  144.670   9.5994  263.509   34.483  239.478   50.641  284.283   47.085  137.019   15.048  149.841   12.703 -12.82133 19.69288 
1 1 1   16    3   14 o  133.540   9.7197  224.777   32.190  248.372   47.612  204.910   43.688  139.776   13.822  126.792   14.034 12.98384 19.69720 
1 1 1   16    3   15 o  114.435   10.250  165.602   28.981  158.212   43.847  171.335   38.619  110.737   16.347  115.872   13.606 -5.134750 21.26860 
1 1 1   16    3   16 o  117.021   10.096  173.071   29.215  167.529   44.104  177.404   38.997  114.087   15.914  117.940   13.483 -3.853394 20.85798 
1 1 1   16    3   17 o   68.227   13.245   60.589   21.752   78.231   34.114   48.502   28.236   77.031   18.050   61.156   17.564 15.87511 25.18472 
1 1 1   16    3   18 o   73.291   12.850   69.563   22.661   60.059   35.683   75.987   29.336   68.003   19.807   76.142   15.940 -8.139053 25.42414 
1 1 1   16    3   19 o  396.409   19.421  2000.02  192.251  1846.95  271.450  2154.07  272.319  375.507   29.177  407.050   26.943 -31.54233 39.71432 
1 1 1   16    3   20 o  311.245   16.586  1230.43  128.446  1104.98  181.341  1356.73  181.960  291.691   25.141  324.574   22.591 -32.88358 33.79960 
1 1 1   16    3   21 o  197.971   10.274  493.474   50.619  416.940   74.976  557.578   68.618  180.604   16.818  209.931   13.156 -29.32755 21.35191 
1 1 1   16    3   22 o  155.686   9.9183  305.543   38.359  258.358   58.198  341.788   51.007  141.780   16.762  164.253   12.530 -22.47298 20.92771 
1 1 1   16    3   23 o   78.675   13.411   80.229   25.403   43.158   39.382  106.646   33.244   60.926   21.162   90.610   15.233 -29.68372 26.07461 
1 1 1   16    3   24 o  263.193   10.892  871.446   71.584  865.837  104.375  876.427   98.363  260.713   16.111  262.634   15.061 -1.921936 22.05414 
1 1 1   16    3   25 o  101.868   11.633  132.439   29.063  126.256   43.496  137.427   39.062   97.893   18.470  102.918   15.696 -5.024834 24.23841 
1 1 1   16    3   26 o  106.182   16.395  146.862   42.071   0.0000   0.0000  146.862   42.071  ?   ?   106.182   16.395 0.000000 16.39461 
1 1 1   16    3   27 o  179.995   14.990  415.382   66.763  415.382   66.763   0.0000   0.0000  179.995   14.990  ?   ?  0.000000 14.98964 
1 1 1   16    3   28 o   68.161   22.627   59.027   44.961 -72.6804  102.615   90.320   50.018   60.452   28.111   81.621   23.357 -21.16860 36.54792 
1 1 1   16    3   29 o   72.222   15.678   69.511   27.465   51.067   32.614  114.482   50.928   62.348   19.125   91.266   22.491 -28.91853 29.52288 
1 1 1   16    3   30 f   56.539   15.284   42.625   22.096   39.623   26.889   48.866   38.773   55.292   17.432   62.135   21.016 -6.843414 27.30482 
1 1 1   16    3   31 o   90.786   12.517  107.368   27.622   83.632   34.422  150.291   46.288   78.349   17.975  105.606   18.210 -27.25768 25.58744 
1 1 1   16    3   32 o   66.041   15.159   58.883   24.471   55.153   29.211   67.661   44.813   63.619   17.726   70.358   22.539 -6.738415 28.67431 
1 1 1   16    3   33 o  121.656   12.250  192.232   36.708  167.558   46.798  231.687   59.179  111.343   17.401  130.577   18.681 -19.23354 25.52986 
1 1 1   16    3   34 o   66.915   17.211   61.818   28.923   61.365   29.688   70.258  128.246   66.605   17.589   82.657   35.250 -16.05200 39.39441 
1 1 1   16    3   35 o   45.498   15.239   26.283   20.384   21.579   22.301   50.171   50.256   43.495   15.837   63.368   23.651 -19.87322 28.46376 
1 1 1   16    3   36 f   42.858   15.352   21.754   20.847   19.714   22.645   33.090   53.380   42.503   15.873   58.268   23.600 -15.76488 28.44131 
1 1 1   16    3   37 o   50.147   16.091   33.904   22.834   39.587   25.051   5.9894   55.521   53.671   16.811   51.591   22.592 2.079792 28.16036 
1 1 1   16    4    0 o  631.381   19.575  5028.09  308.632  5171.53  436.961  4885.29  435.984  637.222   27.460  619.003   28.205 18.21979 39.36470 
1 1 1   16    4    1 f  186.898   9.2441  437.137   43.144  402.613   61.820  469.919   60.240  178.568   13.975  193.192   12.555 -14.62347 18.78623 
1 1 1   16    4    2 o  280.947   10.873  988.660   76.281  990.984  108.493  986.388  107.271  280.388   15.556  279.759   15.414 0.6289368 21.89964 
1 1 1   16    4    3 f  448.390   15.193  2526.21  170.119  2395.78  240.634  2656.53  240.536  434.556   22.249  458.499   21.008 -23.94244 30.60041 
1 1 1   16    4    4 o  347.676   12.619  1516.04  109.560  1491.27  155.204  1540.65  154.679  343.539   18.156  349.277   17.793 -5.738495 25.42118 
1 1 1   16    4    5 o  362.907   12.934  1652.41  117.211  1616.05  166.084  1688.49  165.441  357.484   18.669  366.000   18.101 -8.516541 26.00394 
1 1 1   16    4    6 o  276.473   10.743  957.721   74.173  966.995  105.468  948.645  104.335  276.899   15.312  274.254   15.295 2.645447 21.64287 
1 1 1   16    4    7 f  137.402   9.4160  237.489   32.113  247.972   46.626  228.029   44.294  139.883   13.516  134.103   13.406 5.779846 19.03746 
1 1 1   16    4    8 o  329.572   12.086  1362.77   99.471  1367.79  141.225  1357.83  140.128  328.918   17.254  327.732   17.182 1.185760 24.34993 
1 1 1   16    4    9 o  410.603   13.744  2118.95  140.928  2195.12  200.163  2044.08  198.453  416.610   19.240  401.876   19.775 14.73349 27.59029 
1 1 1   16    4   10 o  448.281   14.252  2527.89  159.541  2565.70  226.301  2490.54  224.955  449.958   20.140  443.259   20.323 6.698730 28.61209 
1 1 1   16    4   11 o   98.144   10.467  122.134   25.258  118.743   37.155  125.046   34.439   95.772   16.107   98.668   14.402 -2.896065 21.60687 
1 1 1   16    4   12 o  310.175   11.824  1208.09   91.584  1152.90  130.224  1262.09  128.827  301.542   17.367  315.800   16.392 -14.25818 23.88162 
1 1 1   16    4   13 o  252.194   10.421  797.788   65.626  807.020   94.380  789.146   91.316  252.589   15.031  249.837   14.701 2.752808 21.02503 
1 1 1   16    4   14 o  177.663   9.7649  396.942   43.156  365.046   62.664  425.718   59.521  169.516   14.957  183.508   13.074 -13.99231 19.86551 
1 1 1   16    4   15 o  125.132   9.8905  197.584   30.654  183.993   45.847  208.573   41.223  119.733   15.713  128.100   13.070 -8.367401 20.43805 
1 1 1   16    4   16 o  290.295   11.240  1058.42   81.483  1085.98  117.237  1032.67  113.332  292.720   16.100  285.460   15.962 7.260284 22.67199 
1 1 1   16    4   17 o  136.820   9.7156  235.960   32.979  217.927   49.374  250.486   44.314  130.486   15.453  140.524   12.768 -10.03734 20.04476 
1 1 1   16    4   18 o  120.741   9.9362  184.128   29.693  176.738   45.101  189.781   39.448  117.238   15.808  122.080   13.147 -4.841713 20.56088 
1 1 1   16    4   19 o  253.529   10.872  807.331   68.829  745.927   99.537  863.595   95.279  242.214   16.556  261.184   14.668 -18.97012 22.11852 
1 1 1   16    4   20 o   95.150   11.093  115.272   25.862  124.304   40.173  108.879   33.797   97.681   17.092   91.640   15.309 6.041245 22.94541 
1 1 1   16    4   21 o  253.081   12.801  808.683   80.640  720.648  101.439  959.855  132.926  237.793   17.199  273.839   19.568 -36.04648 26.05153 
1 1 1   16    4   22 o  127.382   13.420  206.802   42.047  191.218   60.082  221.760   58.863  120.761   20.667  130.817   18.537 -10.05538 27.76225 
1 1 1   16    4   23 o  182.286   11.173  419.396   50.616  338.530   85.887  462.427   62.652  161.099   21.918  191.048   13.214 -29.94881 25.59317 
1 1 1   16    4   24 o  183.299   10.243  423.474   46.697  415.477   69.988  429.890   62.693  180.421   15.690  184.005   13.743 -3.584534 20.85810 
1 1 1   16    4   25 o  118.045   10.928  176.813   31.849  120.580   47.774  221.799   42.730   95.199   20.687  131.903   13.148 -36.70414 24.51144 
1 1 1   16    4   26 o  135.860   10.540  233.688   35.479  198.984   52.042  263.822   48.494  123.782   17.310  143.764   13.673 -19.98167 22.05840 
1 1 1   16    4   27 o  376.734   12.953  1796.70  121.857  1688.65  174.233  1900.17  170.491  361.720   19.359  385.134   17.727 -23.41400 26.24926 
1 1 1   16    4   28 o  171.005   10.073  369.910   42.824  373.447   61.684  366.618   59.500  170.620   14.619  169.164   14.217 1.456024 20.39182 
1 1 1   16    4   29 f  105.377   11.567  142.314   29.937  123.821   40.619  164.305   44.294   96.606   17.481  112.004   16.316 -15.39774 23.91202 
1 1 1   16    4   30 o  271.975   16.934  961.127  114.441  1197.14  185.029  814.905  145.640  296.874   25.196  245.523   24.063 51.35080 34.84105 
1 1 1   16    4   31 o  130.104   12.323  217.970   39.561  202.936   48.858  246.592   67.414  124.162   16.139  135.016   20.651 -10.85480 26.20960 
1 1 1   16    4   32 o   48.827   15.232   30.935   20.589   24.820   23.722   49.608   41.452   46.212   16.395   62.588   21.713 -16.37630 27.20767 
1 1 1   16    4   33 o   71.907   14.168   69.155   24.536   45.924   28.910  128.974   46.392   58.556   18.014   96.528   19.907 -37.97197 26.84755 
1 1 1   16    4   34 o  122.665   12.865  196.328   38.821  199.780   49.860  191.013   61.864  121.961   16.819  116.390   22.093 5.571617 27.76620 
1 1 1   16    4   35 o   73.718   15.276   73.849   27.197   97.645   32.088   13.139   51.253   84.869   15.719   52.895   22.411 31.97383 27.37414 
1 1 1   16    4   36 o   70.623   17.715   69.827   31.188   71.142   31.724   31.905  170.367   71.241   17.865   81.516   37.294 -10.27473 41.35227 
1 1 1   16    4   37 o   67.853   15.983   64.025   26.636   65.047   30.447   60.693   54.983   67.827   17.765   66.869   24.781 0.9586182 30.49111 
1 1 1   16    5    0 o  161.886   9.5217  329.144   38.323  312.620   54.688  345.089   53.719  157.195   14.081  165.353   13.117 -8.157837 19.24398 
1 1 1   16    5    1 o  396.326   20.019  1987.19  197.489   0.0000   0.0000  1987.19  197.489  ?   ?   396.326   20.019 0.000000 20.01929 
1 1 1   16    5    2 o  432.372   20.585  2360.89  222.263  2360.89  222.263   0.0000   0.0000  432.372   20.585  ?   ?  0.000000 20.58540 
1 1 1   16    5    3 o  492.273   16.057  3047.08  197.394  2866.42  279.101  3227.87  279.213  475.560   23.502  505.077   22.137 -29.51761 32.28641 
1 1 1   16    5    4 o  394.428   13.442  1952.29  132.400  1942.00  187.597  1962.52  186.890  392.374   19.146  394.477   18.972 -2.103638 26.95367 
1 1 1   16    5    5 o  300.866   10.979  1134.15   82.488  1135.09  117.095  1133.23  116.221  300.051   15.682  299.824   15.576 0.2265930 22.10322 
1 1 1   16    5    6 o  480.103   16.035  2900.04  192.240  2809.21  272.038  2990.64  271.698  470.590   23.149  485.792   22.397 -15.20294 32.21028 
1 1 1   16    5    7 o  464.826   15.070  2716.78  174.926  2675.31  247.581  2758.12  247.186  459.578   21.573  466.749   21.207 -7.170166 30.25138 
1 1 1   16    5    8 o  195.267   9.5331  477.486   46.485  486.164   66.453  469.171   65.049  196.265   13.644  192.795   13.598 3.470215 19.26302 
1 1 1   16    5    9 o  203.791   9.9274  520.295   50.521  526.956   72.140  513.884   70.775  204.244   14.233  201.699   14.141 2.545486 20.06351 
1 1 1   16    5   10 o   99.997   10.273  126.631   25.288  166.365   37.134   92.268   34.533  114.318   13.254   84.045   17.037 30.27285 21.58560 
1 1 1   16    5   11 o  370.402   12.915  1723.87  119.454  1715.09  169.550  1732.52  168.325  367.792   18.520  370.184   18.209 -2.391144 25.97202 
1 1 1   16    5   12 o  114.891   10.194  166.781   28.942  148.484   42.329  182.844   39.661  107.306   16.310  119.839   13.488 -12.53324 21.16459 
1 1 1   16    5   13 o  237.223   10.277  705.729   60.877  705.330   87.460  706.104   84.790  236.130   14.909  236.355   14.435 -0.2243805 20.75185 
1 1 1   16    5   14 o  285.409   11.252  1022.64   80.194  976.790  114.331  1067.05  112.514  277.580   16.570  290.415   15.571 -12.83481 22.73794 
1 1 1   16    5   15 o   54.754   14.629   39.099   20.382   41.269   31.625   37.557   26.658   58.067   18.963   54.879   17.363 3.188274 25.71086 
1 1 1   16    5   16 o  164.872   9.8811  342.134   40.495  276.561   58.992  400.566   55.687  147.057   16.340  178.027   12.608 -30.97012 20.63882 
1 1 1   16    5   17 o  112.982   10.213  161.455   28.502  130.777   42.849  185.799   38.171  100.165   17.782  120.851   12.845 -20.68546 21.93632 
1 1 1   16    5   18 o  214.804   9.9391  578.867   53.314  574.828   78.067  582.396   72.983  212.946   14.772  214.576   13.692 -1.629532 20.14155 
1 1 1   16    5   19 o  227.294   10.118  648.327   57.427  600.797   83.564  690.861   79.051  217.540   15.484  233.772   13.600 -16.23209 20.60845 
1 1 1   16    5   20 o  187.020   9.8597  440.063   45.885  419.422   67.931  457.382   62.226  181.628   15.114  190.116   13.188 -8.487076 20.05946 
1 1 1   16    5   21 o  216.642   10.189  589.169   55.123  512.795   80.751  655.812   75.432  200.655   16.255  227.756   13.321 -27.10121 21.01619 
1 1 1   16    5   22 o  146.894   9.9895  272.094   36.426  257.951   55.549  282.763   48.247  141.913   15.951  149.249   13.077 -7.335983 20.62660 
1 1 1   16    5   23 o   80.018   12.780   82.629   24.679   73.912   39.474   88.223   31.620   74.865   20.509   82.115   15.995 -7.249153 26.00894 
1 1 1   16    5   24 o  166.548   13.486  352.234   55.609  325.689   78.417  379.086   78.870  158.417   20.289  171.543   18.715 -13.12622 27.60233 
1 1 1   16    5   25 f   69.158   22.374   60.154   44.077   0.0000   0.0000   60.154   44.077  ?   ?    69.158   22.374 0.000000 22.37367 
1 1 1   16    5   26 o  166.038   14.761  351.963   60.565  351.963   60.565   0.0000   0.0000  166.038   14.761  ?   ?  0.000000 14.76101 
1 1 1   16    5   27 o  151.982   10.476  292.175   39.516  291.318   58.443  292.897   53.634  150.542   15.781  151.320   14.366 -0.7785797 21.34046 
1 1 1   16    5   28 o  192.436   9.9512  467.626   47.657  411.573   69.324  517.851   65.621  178.989   15.668  201.726   13.098 -22.73735 20.42109 
1 1 1   16    5   29 f  234.443   10.581  694.126   61.946  616.265   89.097  766.980   86.185  218.596   16.442  244.967   14.149 -26.37126 21.69196 
1 1 1   16    5   30 o  215.129   10.257  585.084   55.103  539.151   78.616  629.440   77.255  204.355   15.522  221.533   14.038 -17.17746 20.92774 
1 1 1   16    5   31 o  154.187   10.757  302.980   41.157  300.791   57.267  305.317   59.190  152.081   15.286  153.063   15.708 -0.9816895 21.91831 
1 1 1   16    5   32 o  179.990   17.356  427.255   77.041  495.083  143.338  399.701   91.360  182.682   32.617  171.453   21.834 11.22844 39.25053 
1 1 1   16    5   33 o   89.719   13.331  105.741   28.959   83.835   34.352  159.548   53.838   78.267   17.957  107.432   20.820 -29.16499 27.49415 
1 1 1   16    5   34 o  130.419   12.162  220.353   39.153  228.803   51.038  208.269   61.035  131.294   15.890  122.774   20.640 8.519455 26.04822 
1 1 1   16    5   35 o   60.115   15.557   49.243   23.534   64.699   27.306   4.6067   46.404   68.765   16.173   48.857   21.028 19.90766 26.52814 
1 1 1   16    5   36 o   46.662   15.227   28.118   20.392   20.242   22.564   63.232   47.644   42.948   15.883   67.850   23.293 -24.90200 28.19294 
1 1 1   16    5   37 o  168.233   13.209  372.204   55.045  399.366   71.386  332.372   86.448  171.637   16.873  150.926   23.720 20.71088 29.10902 
1 1 1   16    5   38 o   55.544   17.673   42.425   27.588   47.138   27.771 -310.1624  240.205   58.109   17.612   67.800   33.914 -9.690495 38.21446 
1 1 1   16    6    0 o   84.112   11.251   90.205   23.039   84.972   34.087   94.606   31.261   80.630   17.437   85.520   15.195 -4.890305 23.12856 
1 1 1   16    6    1 o  331.357   14.267  1378.56  118.052  1360.95  143.496  1415.43  207.656  328.309   17.566  332.922   25.163 -4.612793 30.68845 
1 1 1   16    6    2 o  524.008   17.196  3456.22  225.015  3372.36  318.250  3540.04  318.188  515.406   24.727  528.276   24.120 -12.86951 34.54241 
1 1 1   16    6    3 o  104.736   10.151  138.634   26.216  143.509   37.828  134.129   36.364  105.900   14.701  102.324   14.649 3.575882 20.75385 
1 1 1   16    6    4 o  186.657   9.1396  436.044   42.601  463.624   60.804  409.452   59.706  191.838   12.765  180.148   13.367 11.69031 18.48354 
1 1 1   16    6    5 o  132.930   8.8327  222.097   29.154  244.242   42.124  201.739   40.389  139.028   12.259  126.144   13.008 12.88411 17.87449 
1 1 1   16    6    6 o  418.574   14.177  2200.66  148.182  2127.57  209.408  2273.95  209.715  410.252   20.440  424.293   19.793 -14.04077 28.45310 
1 1 1   16    6    7 o  471.396   21.066  2812.58  247.976  3253.13  354.784  2391.78  346.737  503.491   28.333  429.582   32.565 73.90872 43.16484 
1 1 1   16    6    8 o  180.345   13.683  410.853   61.161  416.384   92.616  406.576   81.446  180.178   20.977  178.537   18.538 1.641312 27.99448 
1 1 1   16    6    9 o  213.833   13.780  576.908   73.189  656.276  109.578  512.982   98.342  227.001   19.520  200.409   19.914 26.59212 27.88582 
1 1 1   16    6   10 o  239.109   15.020  722.332   89.230  674.167  130.570  764.536  122.224  229.103   23.140  244.898   20.165 -15.79443 30.69310 
1 1 1   16    6   11 o  362.316   18.070  1659.02  163.493  1746.79  235.010  1576.71  227.596  368.697   25.685  349.988   26.232 18.70822 36.71321 
1 1 1   16    6   12 o  252.841   15.632  808.823   98.215  705.024  143.179  901.070  134.978  233.574   24.933  265.711   20.501 -32.13686 32.27884 
1 1 1   16    6   13 o  173.203   14.566  380.417   62.417  253.644   94.140  479.859   83.377  137.952   28.277  194.096   17.386 -56.14311 33.19449 
1 1 1   16    6   14 o  247.996   15.502  778.692   95.523  693.401  139.802  853.381  130.824  231.508   24.557  258.381   20.443 -26.87292 31.95242 
1 1 1   16    6   15 o  107.023   11.608  145.519   30.526  156.652   40.500  130.874   46.450  110.471   15.074   99.939   19.311 10.53210 24.49834 
1 1 1   16    6   16 o  171.364   9.7312  369.404   41.471  357.792   60.568  379.653   56.901  167.855   14.595  173.191   13.257 -5.335144 19.71718 
1 1 1   16    6   17 o  270.604   10.965  919.422   74.093  894.777  106.351  942.667  103.284  265.628   16.109  272.891   15.217 -7.262726 22.15983 
1 1 1   16    6   18 o  208.245   10.123  544.116   52.642  534.042   76.721  553.078   72.365  205.165   15.081  209.045   13.942 -3.880386 20.53802 
1 1 1   16    6   19 o  350.255   12.788  1544.00  111.852  1477.57  159.574  1608.15  156.827  340.571   18.836  356.189   17.631 -15.61722 25.80063 
1 1 1   16    6   20 o  149.962   9.8858  283.366   36.813  245.087   55.154  314.121   49.437  138.278   16.285  157.486   12.678 -19.20802 20.63781 
1 1 1   16    6   21 o  199.373   9.9401  498.810   49.489  497.886   73.232  499.587   67.140  198.026   14.919  198.639   13.617 -0.6132965 20.19888 
1 1 1   16    6   22 o   83.143   11.750   88.619   23.716   81.869   37.697   93.042   30.511   78.674   19.327   84.609   14.989 -5.934944 24.45837 
1 1 1   16    6   23 o  214.304   10.249  576.710   54.848  509.714   81.093  633.201   74.465  199.951   16.385  223.717   13.391 -23.76619 21.16052 
1 1 1   16    6   24 o   94.246   11.628  113.405   26.786  120.216   42.687  108.982   34.402   95.643   18.542   91.570   15.604 4.073334 24.23439 
1 1 1   16    6   25 o   98.296   11.585  123.253   27.891  134.621   43.928  115.574   36.102  101.424   18.004   94.262   15.903 7.161545 24.02149 
1 1 1   16    6   26 o  157.175   13.241  314.095   51.486  253.486   70.219  384.560   75.714  139.130   20.853  172.873   17.793 -33.74283 27.41255 
1 1 1   16    6   27 o   35.060   15.078  -1.5087   23.823  -2.9916   29.062   1.5286   41.593   38.288   16.559   47.185   20.097 -8.897739 26.04073 
1 1 1   16    6   28 o   92.661   12.294  110.356   27.744  136.731   40.115   86.172   38.413  102.370   16.234   80.295   19.379 22.07531 25.27996 
1 1 1   16    6   29 o  225.943   10.352  643.885   58.407  520.152   84.392  757.634   80.916  200.716   16.997  243.937   13.334 -43.22148 21.60291 
1 1 1   16    6   30 o  204.663   10.071  528.833   51.472  441.215   73.647  612.496   71.966  184.714   16.128  219.011   13.221 -34.29698 20.85422 
1 1 1   16    6   31 o  239.792   10.710  728.481   64.132  705.781   91.817  750.105   89.616  233.549   15.837  241.256   14.949 -7.707123 21.77776 
1 1 1   16    6   32 o  295.769   11.791  1114.81   87.087  998.831  123.132  1230.89  123.188  275.793   17.977  307.748   16.085 -31.95465 24.12288 
1 1 1   16    6   33 o   40.605   14.464   18.674   18.480   19.709   21.112   15.280   38.220   42.399   15.414   48.721   19.881 -6.321373 25.15618 
1 1 1   16    6   34 o   68.057   22.820   61.945   45.710   59.915  123.248   62.269   49.220   82.104   34.768   68.671   23.670 13.43297 42.05996 
1 1 1   16    6   35 o   31.177   12.839   4.5041   16.124   5.7535   17.425  -2.9402   42.534   32.794   13.408   45.221   19.789 -12.42661 23.90315 
1 1 1   16    6   36 o  153.647   11.944  305.989   45.467  301.656   58.742  312.462   71.807  150.482   15.871  150.857   19.519 -0.3746033 25.15718 
1 1 1   16    6   37 o  156.875   13.637  323.918   52.891  362.582   69.163  269.457   82.084  163.657   17.180  134.994   25.279 28.66338 30.56407 
1 1 1   16    6   38 o   70.273   15.794   68.351   27.041   74.832   31.220   48.885   54.103   72.982   17.379   63.071   24.307 9.910618 29.88120 
1 1 1   16    7    0 o   58.047   16.358   43.521   24.728 -19.3701   53.990   60.216   27.817   49.250   21.891   67.842   16.564 -18.59151 27.45105 
1 1 1   16    7    1 o  216.497   10.399  587.014   56.219  598.994   79.664  575.128   79.347  217.873   14.729  213.430   14.983 4.442917 21.00981 
1 1 1   16    7    2 o  304.280   11.826  1160.58   89.863  1145.02  127.127  1176.12  127.044  301.142   16.974  305.266   16.729 -4.124146 23.83272 
1 1 1   16    7    3 o  450.128   15.012  2545.97  168.744  2515.93  238.695  2575.98  238.585  446.001   21.432  451.363   21.167 -5.362122 30.12270 
1 1 1   16    7    4 o  328.047   11.173  1348.48   91.533  1430.16  129.920  1267.98  128.978  337.293   15.425  317.049   16.346 20.24377 22.47498 
1 1 1   16    7    5 o  344.934   13.557  1493.54  116.774  1643.69  144.519  1211.13  198.204  361.475   16.010  307.374   26.068 54.10135 30.59193 
1 1 1   16    7    6 o  627.747   28.148  5037.21  441.242  5295.10  626.718  4783.73  621.337  635.307   39.703  602.354   41.561 32.95258 57.47752 
1 1 1   16    7    7 o  148.017   12.845  276.993   47.006  377.531   75.198  212.512   60.222  172.161   17.746  128.326   19.398 43.83598 26.29053 
1 1 1   16    7    8 o  247.576   15.055  773.686   92.637  753.734  135.617  791.140  126.841  242.697   22.638  249.212   20.565 -6.514114 30.58464 
1 1 1   16    7    9 o  118.751   14.282  179.780   41.502  139.444   66.733  205.221   52.998  102.566   26.015  126.443   17.234 -23.87759 31.20567 
1 1 1   16    7   10 o  190.818   14.602  460.666   69.052  318.553  102.294  579.630   93.592  155.581   27.327  213.573   17.708 -57.99167 32.56273 
1 1 1   16    7   11 o  192.506   11.596  466.674   55.486  440.367  100.800  478.111   66.461  184.851   22.286  194.525   13.771 -9.674103 26.19732 
1 1 1   16    7   12 o  382.839   14.922  1845.80  142.653  2168.83  251.569  1692.70  173.190  411.292   24.607  365.157   19.059 46.13507 31.12455 
1 1 1   16    7   13 o  459.694   17.828  2672.48  204.652  2670.49  357.295  2673.45  249.664  452.297   31.837  458.332   21.814 -6.035004 38.59303 
1 1 1   16    7   14 o  169.488   13.391  363.582   56.213  427.499   88.969  321.110   72.523  182.508   19.841  158.149   18.727 24.35898 27.28320 
1 1 1   16    7   15 o  176.018   13.640  392.256   59.487  439.711   92.880  359.251   77.459  184.918   20.456  167.322   18.868 17.59537 27.82903 
1 1 1   16    7   16 o  143.956   14.100  263.485   50.037  240.928   80.381  277.756   63.935  135.108   24.736  147.091   17.766 -11.98282 30.45477 
1 1 1   16    7   17 o  320.515   17.445  1304.35  139.099  1257.28  201.599  1347.12  192.170  311.455   26.163  323.397   23.966 -11.94131 35.48067 
1 1 1   16    7   18 o  505.409   22.976  3268.91  289.983  3606.89  415.101  2946.75  405.271  524.224   31.860  471.553   34.659 52.67038 47.07799 
1 1 1   16    7   19 o  341.128   14.559  1467.85  124.021  1468.87  153.288  1465.93  211.028  339.840   18.128  336.620   25.289 3.219971 31.11546 
1 1 1   16    7   20 o   68.083   13.248   60.342   21.713   57.070   34.378   62.513   28.005   66.386   19.471   68.940   16.489 -2.553139 25.51525 
1 1 1   16    7   21 o  311.697   12.158  1222.08   94.636  1122.83  135.758  1315.91  131.991  296.819   18.406  322.047   16.468 -25.22824 24.69773 
1 1 1   16    7   22 o  141.960   9.8564  254.084   34.724  259.708   53.063  249.872   45.922  142.610   15.131  140.219   13.273 2.390701 20.12782 
1 1 1   16    7   23 o  120.240   10.313  182.854   30.665  195.763   47.988  173.944   39.867  123.399   15.946  116.619   13.968 6.780563 21.19809 
1 1 1   16    7   24 o  407.249   19.990  2116.73  203.295   0.0000   0.0000  2116.73  203.295  ?   ?   407.249   19.990 0.000000 19.99016 
1 1 1   16    7   25 o  159.743   15.911  326.354   62.626  326.354   62.626   0.0000   0.0000  159.743   15.911  ?   ?  0.000000 15.91112 
1 1 1   16    7   26 f   55.085   15.464   39.520   22.143   63.680   34.790   23.067   28.709   69.565   19.332   48.192   17.898 21.37249 26.34477 
1 1 1   16    7   27 o   91.677   12.033  107.738   26.883   84.298   40.316  126.505   36.074   79.554   20.244   98.810   15.099 -19.25649 25.25449 
1 1 1   16    7   28 o  129.279   10.627  211.873   34.004  168.091   49.510  250.966   46.784  113.304   18.108  140.166   13.534 -26.86140 22.60705 
1 1 1   16    7   29 o  342.517   17.415  1507.77  148.465  1384.77  206.511  1639.34  213.590  322.753   25.839  352.433   24.420 -29.67996 35.55257 
1 1 1   16    7   30 o  234.712   10.796  696.072   63.279  675.396   92.398  714.336   86.840  228.961   16.266  236.117   14.803 -7.155640 21.99346 
1 1 1   16    7   31 o  213.579   11.100  579.400   58.995  617.852   85.197  543.978   81.772  218.748   15.701  205.013   16.102 13.73470 22.48998 
1 1 1   16    7   32 o  127.915   11.211  209.350   35.450  233.746   48.547  181.482   51.886  134.090   14.742  116.633   18.427 17.45712 23.59811 
1 1 1   16    7   33 o   58.704   14.291   46.128   20.754   26.617   24.416   96.930   39.397   47.498   16.654   84.160   19.174 -36.66202 25.39667 
1 1 1   16    7   34 o   88.318   12.371  101.816   26.535   97.373   32.719  110.353   45.354   85.170   15.971   89.040   20.777 -3.869965 26.20598 
1 1 1   16    7   35 o   82.860   13.666   90.930   27.292   93.797   33.316   85.083   47.583   83.157   16.625   77.595   22.950 5.562256 28.33898 
1 1 1   16    7   36 o  206.262   18.171  572.328   92.637  644.080  173.047  543.506  109.676  200.039   35.964  197.130   22.694 2.908340 42.52546 
1 1 1   16    7   37 o  249.225   13.236  810.077   82.083  892.571  111.076  710.828  121.835  257.761   17.358  225.256   21.938 32.50482 27.97408 
1 1 1   16    7   38 o   40.699   14.913   18.528   19.817   24.599   21.711 -11.7974   48.524   44.829   15.705   45.475   20.443 -0.6460876 25.77913 
1 1 1   16    7   39 o  140.467   13.353  261.718   46.274  255.459   58.075  272.601   76.579  136.003   17.506  135.734   23.440 0.2690125 29.25596 
1 1 1   16    8    0 o  228.479   14.105  658.136   80.081  658.136   80.081   0.0000   0.0000  228.479   14.105  ?   ?  0.000000 14.10459 
1 1 1   16    8    1 o  220.101   10.429  606.814   57.319  563.116   81.168  650.284   80.955  211.062   15.509  227.079   14.350 -16.01698 21.12922 
1 1 1   16    8    2 o  416.629   14.449  2180.55  150.323  2124.65  212.433  2236.61  212.745  409.400   20.848  420.720   20.250 -11.32004 29.06343 
1 1 1   16    8    3 o  431.594   14.570  2340.26  157.028  2297.86  221.989  2382.72  222.153  426.289   20.853  434.183   20.489 -7.894073 29.23494 
1 1 1   16    8    4 o  333.601   11.864  1395.32   98.836  1396.68  139.883  1393.98  139.667  332.639   16.895  332.318   16.886 0.3205566 23.88686 
1 1 1   16    8    5 o  396.879   20.183  1995.64  199.371  1546.67  283.240  2436.53  280.684  344.832   33.307  436.678   25.855 -91.84631 42.16445 
1 1 1   16    8    6 o  405.753   18.703  2077.64  189.510  2399.88  272.245  1774.71  263.964  433.507   25.258  371.336   28.688 62.17068 38.22294 
1 1 1   16    8    7 o  486.796   21.888  3003.47  266.076  3368.29  379.978  2652.49  372.703  511.444   29.882  452.006   33.253 59.43765 44.70634 
1 1 1   16    8    8 o  149.794   11.070  282.800   41.115  317.900   77.091  268.848   48.604  157.310   20.083  145.691   13.513 11.61848 24.20579 
1 1 1   16    8    9 o   76.131   11.924   74.442   21.924   41.232   31.785  104.580   30.280   58.197   19.011   90.196   13.889 -31.99911 23.54409 
1 1 1   16    8   10 o  290.265   11.501  1056.91   83.365  1016.48  118.277  1096.82  117.520  283.433   16.786  294.624   16.034 -11.19067 23.21278 
1 1 1   16    8   11 o  145.380   9.7688  266.008   35.259  223.968   50.420  306.240   49.324  132.459   15.538  155.622   12.806 -23.16272 20.13531 
1 1 1   16    8   12 o  349.783   12.334  1536.62  107.730  1560.44  152.956  1513.16  151.759  351.461   17.428  345.614   17.643 5.847595 24.79885 
1 1 1   16    8   13 o  208.835   9.8848  546.683   51.549  523.978   73.768  568.351   72.065  203.468   14.616  212.123   13.677 -8.654205 20.01744 
1 1 1   16    8   14 o  142.299   9.7852  255.030   34.560  236.484   50.081  271.892   47.753  136.187   14.973  146.451   13.199 -10.26413 19.96053 
1 1 1   16    8   15 o  699.210   21.792  6229.91  380.508  6274.45  538.682  6185.56  537.559  694.521   31.060  689.437   31.223 5.083374 44.04097 
1 1 1   16    8   16 o  372.606   12.943  1746.43  120.431  1750.00  171.176  1742.94  169.468  371.569   18.448  370.863   18.299 0.7061768 25.98425 
1 1 1   16    8   17 o  419.633   14.422  2219.61  151.127  2128.84  214.533  2309.04  212.928  408.255   21.115  426.148   20.009 -17.89288 29.08983 
1 1 1   16    8   18 o  339.748   12.094  1451.12  102.609  1441.01  146.600  1460.84  143.666  336.879   17.487  339.773   16.932 -2.894562 24.34100 
1 1 1   16    8   19 o  171.205   11.604  369.999   49.318  367.428   95.734  370.927   57.541  167.845   23.484  171.079   13.581 -3.234268 27.12774 
1 1 1   16    8   20 o  237.081   15.040  712.314   88.579  733.957  133.565  695.321  118.350  238.468   22.703  232.735   20.576 5.732941 30.63966 
1 1 1   16    8   21 o  244.209   15.860  757.008   96.197  675.923  144.328  821.822  129.039  227.600   25.852  253.111   20.594 -25.51094 33.05237 
1 1 1   16    8   22 o  199.537   12.154  502.684   60.271  470.223   76.536  555.677   97.789  192.150   16.099  208.232   19.016 -16.08228 24.91521 
1 1 1   16    8   23 o  165.430   9.8653  344.650   40.569  293.161   61.250  384.895   54.150  151.299   16.478  174.421   12.516 -23.12111 20.69193 
1 1 1   16    8   24 o   95.476   11.360  116.200   26.553  101.742   43.317  124.904   33.608   87.607   20.212   98.530   14.058 -10.92272 24.61971 
1 1 1   16    8   25 o  102.580   11.084  133.813   27.942  124.819   43.824  139.973   36.270   97.471   18.685  104.339   14.296 -6.868629 23.52669 
1 1 1   16    8   26 o  173.003   10.155  377.300   43.678  320.049   65.758  422.501   58.430  157.881   16.944  182.595   12.897 -24.71342 21.29404 
1 1 1   16    8   27 o  231.378   10.801  673.562   62.408  644.713   92.017  698.137   84.926  224.657   16.518  234.397   14.581 -9.740463 22.03308 
1 1 1   16    8   28 o  199.932   10.306  504.275   51.280  513.129   76.273  496.972   69.273  200.445   15.355  197.585   14.133 2.859863 20.86886 
1 1 1   16    8   29 f  381.608   14.041  1848.27  133.807  1773.66  191.678  1919.18  186.876  369.711   20.847  385.539   19.473 -15.82874 28.52711 
1 1 1   16    8   30 o  187.833   10.604  446.671   49.536  459.049   72.597  435.886   67.761  188.966   15.522  184.333   14.846 4.632523 21.47877 
1 1 1   16    8   31 o   48.834   16.264   29.240   23.223   29.320   25.411   28.833   57.206   49.580   17.012   61.269   24.565 -11.68933 29.88064 
1 1 1   16    8   32 o   84.513   13.049   93.123   26.653   83.136   34.529  107.847   41.925   78.500   17.998   89.225   19.372 -10.72527 26.44224 
1 1 1   16    8   33 o  152.783   10.494  297.581   39.793  263.394   54.344  337.103   58.431  141.926   15.590  161.132   14.683 -19.20589 21.41571 
1 1 1   16    8   34 o  202.770   10.885  525.081   54.914  507.741   76.169  543.848   79.243  197.091   15.604  203.971   15.678 -6.880692 22.11926 
1 1 1   16    8   35 o   99.636   12.696  129.546   30.872  152.113   39.172   92.552   50.154  107.216   15.045   80.821   23.465 26.39502 27.87379 
1 1 1   16    8   36 o  190.486   12.013  468.113   56.852  491.853   76.893  439.487   84.435  192.846   16.115  180.257   19.046 12.58934 24.94887 
1 1 1   16    8   37 o  189.888   12.461  467.813   58.758  468.783   78.157  466.552   89.110  187.187   16.902  184.648   19.626 2.538971 25.90155 
1 1 1   16    8   38 o  102.109   23.155  152.317   57.683  217.833  147.819  140.548   62.650  108.018   40.513   96.577   25.574 11.44093 47.90971 
1 1 1   16    8   39 o  102.388   14.249  140.641   35.444  151.971   43.003  116.636   62.594  105.064   16.969   86.773   26.473 18.29160 31.44473 
1 1 1   16    9    0 o  651.382   20.295  5367.04  330.126  5527.63  467.168  5206.85  466.571  656.961   28.476  637.131   29.325 19.83069 40.87608 
1 1 1   16    9    1 o  181.977   9.8000  415.910   44.370  411.893   62.646  419.953   62.852  180.544   14.005  182.326   13.909 -1.782562 19.73837 
1 1 1   16    9    2 f  204.891   9.7014  525.685   49.637  530.915   70.179  520.448   70.217  205.153   13.779  203.088   13.930 2.064728 19.59295 
1 1 1   16    9    3 o  407.330   13.403  2083.04  136.331  2081.41  192.710  2084.67  192.892  406.048   19.005  406.366   19.008 -0.3175659 26.87983 
1 1 1   16    9    4 o  452.034   15.253  2569.55  172.178  2538.92  243.418  2600.22  243.574  447.686   21.774  453.132   21.526 -5.446106 30.61761 
1 1 1   16    9    5 o  274.413   16.007  950.844  109.212  842.930  157.702  1050.29  151.390  256.218   24.965  287.270   21.254 -31.05222 32.78717 
1 1 1   16    9    6 o  329.776   16.952  1373.71  139.133  1458.63  200.494  1294.84  193.235  337.951   23.912  318.134   24.512 19.81772 34.24348 
1 1 1   16    9    7 f  385.253   14.718  1866.15  141.590  1978.28  247.572  1811.64  172.605  393.214   25.348  378.879   18.243 14.33527 31.23023 
1 1 1   16    9    8 o  210.456   9.3632  554.642   49.208  572.640   70.253  537.307   68.947  213.127   13.266  206.392   13.451 6.734924 18.89211 
1 1 1   16    9    9 o  194.356   9.8638  474.436   47.716  447.028   67.903  501.173   67.066  187.974   14.580  199.263   13.559 -11.28900 19.91002 
1 1 1   16    9   10 o  219.807   10.149  605.483   55.707  609.553   79.461  601.550   78.121  219.645   14.570  218.218   14.417 1.426498 20.49715 
1 1 1   16    9   11 o  460.020   14.917  2664.21  171.361  2724.78  242.851  2604.14  241.835  463.353   20.988  452.840   21.386 10.51331 29.96429 
1 1 1   16    9   12 o  718.140   22.328  6564.21  400.410  6618.03  566.693  6510.54  565.839  714.144   31.777  708.134   31.998 6.010254 45.09610 
1 1 1   16    9   13 o  220.694   10.023  610.610   55.238  591.012   78.824  629.522   77.432  216.136   14.692  223.236   13.960 -7.100037 20.26655 
1 1 1   16    9   14 o  131.369   9.7561  217.520   31.777  210.327   46.055  224.057   43.900  128.406   14.624  132.795   13.423 -4.388855 19.85005 
1 1 1   16    9   15 o  172.122   9.5464  372.496   40.871  349.545   58.958  393.729   56.709  165.972   14.367  176.472   12.959 -10.49948 19.34804 
1 1 1   16    9   16 o  277.376   10.878  965.698   75.348  958.117  107.607  972.989  105.538  275.066   15.731  277.303   15.300 -2.236938 21.94434 
1 1 1   16    9   17 o  300.994   11.701  1138.27   87.947  1091.92  125.328  1183.23  123.446  293.267   17.188  305.590   16.235 -12.32269 23.64338 
1 1 1   16    9   18 o  195.188   9.8384  479.043   47.800  482.804   69.367  475.643   65.961  195.196   14.331  193.855   13.714 1.341354 19.83578 
1 1 1   16    9   19 o  239.506   10.476  719.987   62.653  692.769   90.437  745.105   86.880  233.696   15.586  242.671   14.401 -8.975555 21.22090 
1 1 1   16    9   20 o   90.554   10.987  104.472   24.337  106.643   37.779  102.932   31.818   90.289   17.387   89.171   14.808 1.117783 22.83814 
1 1 1   16    9   21 o  227.875   10.160  651.669   57.817  666.862   84.500  638.294   79.281  229.396   14.830  224.544   14.212 4.852005 20.54088 
1 1 1   16    9   22 o  161.712   9.8452  329.314   39.568  306.297   60.118  346.906   52.557  154.885   15.763  165.515   12.816 -10.62990 20.31531 
1 1 1   16    9   23 o   99.175   19.682  129.458   47.024   0.0000   0.0000  129.458   47.024  ?   ?    99.175   19.682 0.000000 19.68210 
1 1 1   16    9   24 o  227.610   24.587  674.758  137.530  674.758  137.530   0.0000   0.0000  227.610   24.587  ?   ?  0.000000 24.58733 
1 1 1   16    9   25 o  177.471   11.945  398.139   52.631  370.900   68.257  438.083   82.656  170.363   16.241  184.782   18.147 -14.41916 24.35338 
1 1 1   16    9   26 o  331.915   12.490  1388.19  103.521  1281.64  149.303  1486.84  143.661  316.511   18.978  342.243   16.809 -25.73291 25.35155 
1 1 1   16    9   27 f  403.162   14.023  2054.82  141.182  2065.08  202.699  2045.16  196.758  400.988   20.309  399.815   19.707 1.173828 28.29884 
1 1 1   16    9   28 o  156.789   10.033  310.344   39.077  230.192   58.693  374.160   52.372  133.117   18.128  171.775   12.290 -38.65773 21.90151 
1 1 1   16    9   29 o  217.432   10.595  595.564   57.526  550.958   84.614  633.902   78.444  207.220   16.488  223.122   14.152 -15.90186 21.72871 
1 1 1   16    9   30 o  292.786   11.753  1083.87   85.932  957.658  124.373  1199.16  118.866  272.192   18.406  306.142   15.600 -33.94971 24.12769 
1 1 1   16    9   31 o  166.970   10.234  353.224   42.467  288.294   61.026  414.187   59.133  148.926   16.697  180.010   13.248 -31.08313 21.31419 
1 1 1   16    9   32 o   75.393   13.521   74.616   24.521   89.914   32.041   52.991   38.095   82.234   16.179   64.087   20.807 18.14700 26.35671 
1 1 1   16    9   33 o   68.803   16.399   63.686   27.778   63.366   29.837   65.765   76.095   68.493   17.408   75.974   28.937 -7.480896 33.76957 
1 1 1   16    9   34 o  131.835   16.075  228.915   51.825  275.341   59.631   85.578  104.777  144.389   16.855   85.190   33.539 59.19884 37.53600 
1 1 1   16    9   35 o   89.883   12.998  105.860   28.328  121.835   35.570   78.156   46.841   95.712   15.405   74.988   22.906 20.72358 27.60432 
1 1 1   16    9   36 o  159.069   11.138  325.075   43.963  278.930   57.878  388.004   67.590  144.985   16.267  171.412   15.974 -26.42717 22.79878 
1 1 1   16    9   37 o  153.960   12.091  306.974   46.112  324.185   60.556  283.221   71.140  156.361   15.722  143.234   20.471 13.12712 25.81198 
1 1 1   16    9   38 o   87.748   13.622  102.438   28.881   97.683   34.624  113.313   52.361   84.281   17.037   88.014   23.414 -3.733009 28.95672 
1 1 1   16    9   39 o   91.533   13.945  112.176   30.867  120.026   37.238   94.940   55.179   93.538   16.548   79.725   24.946 13.81266 29.93568 
1 1 1   16   10    0 o  133.085   9.8758  223.087   32.587  237.864   46.506  208.834   45.676  136.903   13.791  128.063   14.540 8.840195 20.04039 
1 1 1   16   10    1 f  225.481   9.6151  636.756   54.140  649.493   76.612  624.049   76.519  226.982   13.578  222.434   13.844 4.547989 19.39182 
1 1 1   16   10    2 o  459.015   15.258  2650.74  174.893  2594.42  247.160  2707.23  247.511  452.311   21.882  462.181   21.445 -9.870148 30.63870 
1 1 1   16   10    3 o  327.400   11.563  1344.17   94.535  1395.34  133.834  1293.21  133.552  332.900   16.099  319.946   16.774 12.95419 23.24971 
1 1 1   16   10    4 o  527.201   16.643  3501.46  219.114  3552.82  309.896  3450.12  309.853  528.736   23.471  520.901   23.820 7.835144 33.44078 
1 1 1   16   10    5 o  387.772   18.680  1898.79  180.884  2043.24  259.402  1762.07  252.362  399.310   26.159  370.196   27.495 29.11371 37.95076 
1 1 1   16   10    6 o  547.637   25.502  3824.81  348.748  3651.25  495.088  3995.75  491.342  527.303   37.850  553.165   35.761 -25.86133 52.07209 
1 1 1   16   10    7 o  353.079   11.993  1564.08  105.741  1577.16  149.632  1551.03  149.449  353.708   16.941  350.742   17.063 2.966125 24.04435 
1 1 1   16   10    8 o  314.478   11.956  1240.88   93.892  1197.57  132.842  1284.12  132.725  307.633   17.363  318.736   16.734 -11.10306 24.11427 
1 1 1   16   10    9 f  380.108   13.594  1815.80  129.031  1825.97  182.842  1805.71  182.114  379.429   19.362  377.304   19.394 2.125305 27.40457 
1 1 1   16   10   10 o  194.355   9.9803  474.597   48.275  474.187   68.848  474.995   67.709  193.631   14.341  193.841   14.084 -0.2096863 20.10010 
1 1 1   16   10   11 o  358.380   13.000  1613.95  116.347  1580.32  164.863  1647.31  164.217  352.928   18.774  360.491   18.302 -7.563446 26.21868 
1 1 1   16   10   12 o  272.726   10.191  932.502   69.403  990.908   99.013  876.085   97.311  280.250   14.194  263.335   14.859 16.91431 20.54898 
1 1 1   16   10   13 o  315.033   11.456  1245.83   90.127  1281.88  128.141  1210.53  126.788  318.320   16.173  309.233   16.478 9.086243 23.08922 
1 1 1   16   10   14 o  273.714   11.136  940.343   76.116  911.476  108.222  968.600  107.075  268.220   16.234  276.685   15.560 -8.465790 22.48700 
1 1 1   16   10   15 o  259.582   10.370  845.278   67.223  870.544   96.046  821.015   94.119  262.414   14.716  254.785   14.857 7.628708 20.91191 
1 1 1   16   10   16 o  172.253   10.021  373.376   42.918  345.445   61.642  399.655   59.791  164.817   15.146  177.673   13.579 -12.85532 20.34220 
1 1 1   16   10   17 o  119.335   10.100  179.899   29.817  172.033   43.691  186.757   40.793  115.751   15.505  121.021   13.742 -5.269981 20.71821 
1 1 1   16   10   18 o  417.566   13.825  2196.52  144.161  2283.67  205.202  2111.59  202.571  423.959   19.382  407.480   19.908 16.47919 27.78475 
1 1 1   16   10   19 o  104.306   10.306  137.844   26.494  126.987   39.982  146.343   35.375   98.867   16.795  106.965   13.547 -8.098183 21.57778 
1 1 1   16   10   20 o  231.419   10.345  672.158   59.785  666.446   86.482  677.385   82.740  229.263   15.192  231.324   14.395 -2.061462 20.92836 
1 1 1   16   10   21 o  200.086   9.9116  502.289   49.523  496.455   72.785  507.318   67.577  197.790   14.845  200.211   13.597 -2.420395 20.13055 
1 1 1   16   10   22 o  423.104   14.376  2258.45  151.893  2296.44  216.720  2221.77  212.948  424.418   20.448  417.471   20.427 6.947662 28.90287 
1 1 1   16   10   23 o  164.152   9.9142  339.366   40.450  287.387   61.389  379.248   53.773  149.753   16.700  173.142   12.521 -23.38919 20.87308 
1 1 1   16   10   24 o  381.894   13.244  1837.97  126.303  1878.80  181.181  1799.37  176.163  384.283   18.880  376.118   18.756 8.164856 26.61304 
1 1 1   16   10   25 o  311.518   11.614  1220.70   90.344  1201.06  131.124  1238.46  124.653  307.205   17.161  312.338   16.036 -5.133118 23.48725 
1 1 1   16   10   26 o  103.653   17.173  139.868   42.894  200.738   90.821  122.393   48.663  121.353   30.113   96.031   20.887 25.32167 36.64775 
1 1 1   16   10   27 o  441.486   21.286  2502.02  234.674  2664.47  341.571  2356.79  322.967  448.161   30.706  421.217   30.921 26.94406 43.57679 
1 1 1   16   10   28 o  208.597   12.028  550.405   62.391  569.594   79.962  520.544   99.751  211.399   15.250  200.494   20.199 10.90503 25.30879 
1 1 1   16   10   29 o  103.288   11.141  135.981   28.281  161.111   42.595  116.170   37.819  111.511   15.734   94.142   16.698 17.36839 22.94311 
1 1 1   16   10   30 o  405.838   14.487  2094.31  146.821  2048.32  210.179  2138.14  205.183  396.722   21.293  406.605   20.208 -9.882996 29.35570 
1 1 1   16   10   31 o  145.467   10.510  268.493   37.920  281.067   55.333  257.359   52.069  147.590   15.232  141.238   14.992 6.352386 21.37273 
1 1 1   16   10   32 o  114.203   11.349  166.838   31.937  173.402   44.901  160.116   45.435  115.125   16.055  110.231   17.057 4.894463 23.42443 
1 1 1   16   10   33 o  148.044   10.590  279.141   38.891  267.685   54.285  291.221   55.744  143.402   15.400  149.744   15.114 -6.341537 21.57788 
1 1 1   16   10   34 f  105.300   11.812  143.063   30.523  135.348   40.154  153.623   46.978  100.870   16.513  106.940   18.246 -6.069580 24.60878 
1 1 1   16   10   35 o  114.104   15.070  171.466   41.890  188.770   45.753   81.777  104.165  119.551   15.706   83.749   33.291 35.80132 36.80991 
1 1 1   16   10   36 o  134.915   15.373  240.031   50.868  236.137   55.355  261.172  128.977  133.008   17.059  125.625   37.929 7.382797 41.58870 
1 1 1   16   10   37 o  106.434   12.433  147.724   32.422  156.162   40.745  133.157   53.533  108.245   15.517   96.628   22.590 11.61742 27.40636 
1 1 1   16   10   38 o  157.751   12.638  323.905   49.368  368.893   64.777  261.564   76.253  166.594   15.758  135.212   23.433 31.38155 28.23820 
1 1 1   16   10   39 o   81.497   14.215   89.354   27.878   90.931   33.384   85.720   50.674   81.081   17.030   76.589   23.897 4.492790 29.34383 
1 1 1   16   10   40 f  146.692   12.732  283.115   46.178  288.979   58.657  273.556   74.886  145.851   16.389  137.096   22.666 8.754547 27.97022 
1 1 1   16   11    0 o  172.716   11.317  375.792   48.542  351.924   57.205  437.184   91.746  166.737   13.864  184.693   20.223 -17.95583 24.51906 
1 1 1   16   11    1 o  160.891   11.971  326.630   47.754  341.245   56.628  290.646   88.853  164.171   13.945  149.101   24.731 15.07030 28.39111 
1 1 1   16   11    2 o  735.228   22.926  6873.52  420.914  6929.79  595.371  6817.29  595.153  731.518   32.592  725.343   32.857 6.174805 46.28021 
1 1 1   16   11    3 o  214.949   10.041  578.897   53.898  584.969   76.249  572.832   76.197  215.230   14.268  212.951   14.414 2.279297 20.28097 
1 1 1   16   11    4 o  300.620   11.972  1133.94   89.873  1107.08  126.939  1160.94  127.260  295.769   17.262  302.987   16.887 -7.218353 24.14805 
1 1 1   16   11    5 o  223.697   14.782  632.179   82.106  542.780  120.499  709.658  112.178  205.171   23.971  236.164   19.187 -30.99272 30.70437 
1 1 1   16   11    6 o  439.300   21.603  2448.56  236.988  2102.78  336.799  2787.66  333.529  401.191   33.936  465.024   28.864 -63.83261 44.55093 
1 1 1   16   11    7 o  329.222   12.053  1360.22   99.088  1345.06  140.050  1375.41  140.213  326.071   17.261  329.783   17.084 -3.711182 24.28629 
1 1 1   16   11    8 o  312.694   10.271  1225.46   80.199  1267.71  113.615  1183.49  113.224  317.474   14.331  306.674   14.785 10.79990 20.59039 
1 1 1   16   11    9 o  307.650   11.980  1188.00   92.039  1184.43  130.383  1191.55  129.943  305.885   17.138  306.833   17.026 -0.9481506 24.15769 
1 1 1   16   11   10 o  197.824   9.8568  490.422   48.693  460.170   69.084  520.287   68.641  190.661   14.621  202.974   13.621 -12.31252 19.98314 
1 1 1   16   11   11 o   97.881   9.7969  121.260   23.625  153.421   34.759   93.646   32.208  109.748   12.931   84.866   15.779 24.88253 20.40030 
1 1 1   16   11   12 o  179.185   10.030  403.760   44.702  386.482   63.946  420.273   62.515  174.555   14.810  182.251   13.839 -7.695282 20.26952 
1 1 1   16   11   13 o  212.970   10.198  568.763   54.234  553.048   77.345  583.963   76.068  208.978   14.919  214.896   14.256 -5.917435 20.63517 
1 1 1   16   11   14 o  161.817   9.4290  329.288   37.936  306.049   54.516  351.106   52.823  155.257   14.219  166.627   12.793 -11.37016 19.12674 
1 1 1   16   11   15 o  149.389   9.7765  281.002   36.270  255.935   52.327  304.183   50.320  141.699   15.017  154.955   13.128 -13.25568 19.94575 
1 1 1   16   11   16 o  216.348   9.5810  586.838   51.763  580.202   74.147  593.148   72.295  214.189   13.939  216.673   13.428 -2.484329 19.35411 
1 1 1   16   11   17 o  256.086   10.811  823.231   69.135  770.369   98.451  874.660   97.108  246.423   16.087  262.935   14.850 -16.51196 21.89345 
1 1 1   16   11   18 o  355.334   12.759  1588.56  113.213  1527.60  160.866  1648.38  159.359  346.478   18.661  360.702   17.692 -14.22379 25.71484 
1 1 1   16   11   19 o  295.019   11.746  1093.91   86.532  1017.01  123.407  1168.29  121.369  282.796   17.562  303.609   16.065 -20.81339 23.80149 
1 1 1   16   11   20 o  219.220   10.062  603.000   55.084  618.042   80.037  589.463   75.927  220.874   14.593  215.775   14.170 5.098663 20.34080 
1 1 1   16   11   21 o  314.996   11.764  1247.35   92.536  1244.05  132.768  1250.47  129.042  312.967   17.052  313.939   16.518 -0.9724121 23.74110 
1 1 1   16   11   22 f  673.004   30.947  5927.72  520.094   0.0000   0.0000  5927.72  520.094  ?   ?   673.004   30.947 0.000000 30.94666 
1 1 1   16   11   23 o  226.870   15.261  653.173   85.959  653.173   85.959   0.0000   0.0000  226.870   15.261  ?   ?  0.000000 15.26137 
1 1 1   16   11   24 o  341.656   12.350  1469.23  105.367  1542.34  151.800  1401.26  146.370  348.229   17.512  331.804   17.729 16.42511 24.92013 
1 1 1   16   11   25 o  212.278   9.9707  565.706   52.854  540.948   78.666  586.080   71.362  206.261   15.383  215.204   13.345 -8.943497 20.36503 
1 1 1   16   11   26 o  186.989   9.6292  440.029   44.810  501.065   68.819  395.104   59.042  198.748   13.954  176.469   13.500 22.27934 19.41618 
1 1 1   16   11   27 o  315.845   11.914  1256.35   93.967  1209.82  136.616  1298.13  129.452  307.816   17.850  319.474   16.280 -11.65796 24.15909 
1 1 1   16   11   28 o  208.567   10.194  546.889   53.094  527.263   79.670  562.570   71.214  203.229   15.823  210.549   13.617 -7.319839 20.87588 
1 1 1   16   11   29 o  127.642   17.225  211.368   53.502  117.745  106.891  242.665   61.801   97.530   34.781  136.513   18.614 -38.98249 39.44889 
1 1 1   16   11   30 o  171.013   16.143  376.269   68.124  332.840  122.955  395.507   81.833  153.928   32.980  174.365   19.107 -20.43690 38.11501 
1 1 1   16   11   31 o  104.159   10.978  138.507   28.123  112.467   39.825  164.407   39.719   92.012   17.977  112.753   14.438 -20.74072 23.05737 
1 1 1   16   11   32 o  117.625   10.298  176.086   29.944  131.918   41.804  222.625   42.912   99.803   17.407  131.622   13.235 -31.81960 21.86685 
1 1 1   16   11   33 o  197.706   11.277  497.587   55.444  500.774   80.290  494.681   76.657  196.208   16.541  195.320   15.853 0.8877869 22.91133 
1 1 1   16   11   34 o   65.930   13.692   57.714   21.805   50.489   26.861   71.674   37.338   61.324   16.967   72.462   19.986 -11.13776 26.21663 
1 1 1   16   11   35 o   90.534   12.813  107.024   28.159  129.791   36.483   73.475   44.287   99.046   15.239   73.135   22.258 25.91077 26.97482 
1 1 1   16   11   36 o  100.735   11.995  131.713   29.581  111.582   37.420  165.248   48.297   90.841   17.124  110.580   18.118 -19.73894 24.92941 
1 1 1   16   11   37 o   91.797   12.612  110.359   28.147  106.800   34.715  117.187   48.085   88.991   16.219   91.156   21.477 -2.165039 26.91319 
1 1 1   16   11   38 o  260.126   18.687  913.302  120.577  911.495  140.295  918.407  235.868  256.053   22.160  228.481   42.916 27.57182 48.29899 
1 1 1   16   11   39 o   74.703   15.591   76.199   28.144   93.677   33.650   35.512   51.341   82.495   16.903   59.017   23.400 23.47882 28.86619 
1 1 1   16   11   40 o   95.295   13.923  121.517   32.154  122.883   39.111  118.669   56.481   94.244   17.254   88.660   24.630 5.584473 30.07215 
1 1 1   16   12    0 o  635.367   23.668  5152.20  375.524  5187.60  459.163  5080.71  652.586  634.109   28.997  614.861   42.768 19.24854 51.67154 
1 1 1   16   12    1 o  466.986   18.282  2757.93  213.201  2760.64  260.151  2752.37  372.051  465.748   22.368  459.155   32.661 6.593536 39.58646 
1 1 1   16   12    2 o  577.917   20.911  4238.89  301.780  4023.70  368.384  4677.95  526.199  560.406   26.324  597.211   35.442 -36.80493 44.14837 
1 1 1   16   12    3 o  128.149   11.986  207.914   37.912  216.223   44.157  184.611   73.946  130.428   13.765  117.954   25.821 12.47318 29.26064 
1 1 1   16   12    4 o  627.999   20.187  4998.03  316.582  4882.52  447.496  5113.77  447.932  615.819   29.100  630.659   28.442 -14.84045 40.69097 
1 1 1   16   12    5 o  340.758   18.433  1471.99  156.270  1224.18  223.669  1708.30  218.421  306.970   29.543  365.283   24.080 -58.31329 38.11359 
1 1 1   16   12    6 o  342.273   18.006  1484.11  153.363  1397.26  220.004  1566.20  213.902  329.125   27.006  349.471   24.669 -20.34644 36.57724 
1 1 1   16   12    7 o  307.310   11.882  1185.33   91.180  1205.87  128.960  1164.80  128.936  308.718   16.791  303.328   17.092 5.390106 23.95978 
1 1 1   16   12    8 o  382.502   11.699  1836.20  111.751  1892.31  158.172  1780.28  157.907  387.357   16.352  375.603   16.835 11.75317 23.46938 
1 1 1   16   12    9 o  141.380   8.8080  251.278   30.942  266.559   44.108  236.470   43.419  145.182   12.281  136.590   12.882 8.592712 17.79786 
1 1 1   16   12   10 o  277.393   8.9573  963.786   62.048  1078.04   88.318  852.436   87.189  292.999   12.071  260.021   13.474 32.97849 18.09011 
1 1 1   16   12   11 o  241.795   10.645  733.321   64.278  728.766   91.273  737.804   90.537  239.987   15.310  241.522   15.087 -1.534851 21.49434 
1 1 1   16   12   12 o  300.680   11.287  1134.79   84.747  1136.78  120.166  1132.81  119.537  299.709   16.115  299.199   16.058 0.5106201 22.74940 
1 1 1   16   12   13 o  336.772   12.521  1425.55  105.298  1394.85  149.285  1455.95  148.546  331.457   18.104  338.806   17.618 -7.348846 25.26203 
1 1 1   16   12   14 o  130.646   9.1077  214.916   29.528  221.812   43.050  208.790   40.577  132.137   13.224  128.225   12.845 3.911697 18.43561 
1 1 1   16   12   15 o  284.979   10.699  1019.20   76.136  1049.70  108.489  989.604  106.876  288.095   15.133  279.648   15.363 8.446686 21.56466 
1 1 1   16   12   16 o  200.984   9.7583  506.555   48.976  502.910   70.153  510.021   68.406  199.292   14.189  200.791   13.725 -1.499435 19.74084 
1 1 1   16   12   17 o  248.139   10.655  772.858   66.025  752.530   94.408  792.319   92.372  243.643   15.599  250.199   14.851 -6.556290 21.53766 
1 1 1   16   12   18 o  360.402   12.943  1634.67  116.487  1649.04  165.630  1620.60  163.860  360.063   18.483  356.950   18.446 3.113403 26.11282 
1 1 1   16   12   19 o  489.284   16.311  3027.48  199.288  2933.85  282.388  3120.38  281.286  478.334   23.641  493.751   22.813 -15.41684 32.85335 
1 1 1   16   12   20 o  290.907   11.110  1063.03   80.710  1093.64  115.838  1034.15  112.517  293.742   15.851  285.621   15.837 8.121582 22.40677 
1 1 1   16   12   21 o  426.205   14.479  2291.66  154.100  2235.62  219.107  2346.52  216.773  418.077   21.054  429.179   20.226 -11.10205 29.19580 
1 1 1   16   12   22 o  380.847   13.102  1826.69  124.605  1887.51  178.334  1768.68  174.176  385.486   18.526  372.622   18.779 12.86343 26.37891 
1 1 1   16   12   23 o  191.097   9.6734  459.315   46.011  535.490   68.946  398.148   61.782  205.701   13.497  177.127   14.084 28.57384 19.50722 
1 1 1   16   12   24 o  401.121   14.000  2029.79  140.237  1946.22  200.225  2110.26  196.479  389.931   20.636  407.108   19.327 -17.17697 28.27315 
1 1 1   16   12   25 o  317.312   11.949  1266.98   94.679  1279.16  137.068  1255.87  130.935  317.014   17.381  314.322   16.742 2.691803 24.13235 
1 1 1   16   12   26 o   92.890   11.073  109.991   25.178  124.452   41.396  101.499   31.720   97.549   17.643   88.441   14.891 9.107422 23.08742 
1 1 1   16   12   27 o  181.426   9.8294  414.566   44.366  405.512   67.685  421.386   58.747  178.321   15.350  182.336   12.987 -4.014999 20.10649 
1 1 1   16   12   28 o  143.935   9.9732  261.578   35.626  232.638   55.600  281.736   46.404  134.240   16.965  148.929   12.595 -14.68846 21.12929 
1 1 1   16   12   29 o   90.328   11.377  104.404   25.094  111.893   39.453   99.315   32.520   92.144   17.790   87.191   15.504 4.953369 23.59789 
1 1 1   16   12   30 o   85.060   11.750   93.029   24.292  107.471   36.691   81.758   32.415   90.351   16.883   78.542   17.018 11.80917 23.97189 
1 1 1   16   12   31 o   91.985   11.754  108.686   26.383  135.909   38.902   85.503   35.900  102.032   15.777   79.972   18.364 22.06055 24.21056 
1 1 1   16   12   32 o  138.651   16.405  250.121   55.699  296.722  117.378  236.578   63.277  143.323   33.412  133.693   19.530 9.629456 38.70111 
1 1 1   16   12   33 o  139.445   17.003  254.799   57.984  232.303  120.227  261.618   66.190  124.336   36.397  140.363   19.403 -16.02711 41.24564 
1 1 1   16   12   34 o  122.189   10.084  190.357   30.496  153.481   40.903  236.509   45.759  108.007   15.619  135.174   13.748 -27.16654 20.80731 
1 1 1   16   12   35 o   59.435   14.039   47.251   20.504   44.222   25.011   53.459   35.805   57.517   16.533   63.472   20.127 -5.954269 26.04683 
1 1 1   16   12   36 o   79.710   12.698   83.441   24.427   71.096   30.060  107.440   41.913   72.279   16.948   88.285   19.529 -16.00612 25.85773 
1 1 1   16   12   37 o  112.863   12.858  166.029   35.591  193.220   46.711  128.394   54.955  120.600   15.898   94.795   23.365 25.80468 28.26045 
1 1 1   16   12   38 o  127.155   11.495  209.081   36.106  188.411   46.246  241.348   57.781  118.764   16.001  133.703   17.744 -14.93852 23.89309 
1 1 1   16   12   39 o  147.770   12.138  283.816   44.396  305.976   57.924  252.263   69.119  151.632   15.516  133.951   21.382 17.68068 26.41876 
1 1 1   16   12   40 o  103.637   17.619  148.133   43.965  150.678   44.577   57.430  266.117  104.488   17.717   92.168   43.613 12.31914 47.07452 
1 1 1   16   13    0 o  458.523   17.682  2660.36  202.464  2619.49  246.768  2744.54  354.144  453.430   21.794  458.471   31.117 -5.041351 37.98974 
1 1 1   16   13    1 o  155.052   12.041  303.780   46.258  320.327   54.460  260.918   87.651  158.946   13.859  140.538   25.931 18.40744 29.40201 
1 1 1   16   13    2 o  422.563   16.316  2253.69  172.165  2164.72  209.457  2439.00  302.285  412.920   20.313  434.253   28.025 -21.33340 34.61259 
1 1 1   16   13    3 o  385.338   15.447  1871.70  148.636  1765.05  180.606  2095.56  261.653  372.676   19.474  403.427   26.112 -30.75143 32.57454 
1 1 1   16   13    4 o  308.322   13.866  1195.97  106.758  1214.04  129.525  1157.69  188.535  309.653   16.814  299.694   25.432 9.958771 30.48749 
1 1 1   16   13    5 o  360.477   14.767  1636.37  132.933  1584.02  161.261  1747.39  234.820  353.396   18.336  368.529   25.676 -15.13257 31.55152 
1 1 1   16   13    6 o  498.632   23.668  3172.67  294.709  3024.40  419.060  3317.76  414.540  479.508   35.244  503.790   33.136 -24.28247 48.37466 
1 1 1   16   13    7 o  197.147   10.408  488.703   51.059  553.398   93.318  461.060   61.000  208.429   18.109  191.117   12.856 17.31165 22.20845 
1 1 1   16   13    8 o  375.056   13.080  1768.32  122.501  1784.90  173.231  1751.73  173.253  375.549   18.472  371.522   18.735 4.027222 26.30956 
1 1 1   16   13    9 o  324.047   11.637  1318.27   94.169  1324.05  133.177  1312.49  133.173  323.451   16.543  322.013   16.618 1.438141 23.44866 
1 1 1   16   13   10 o  200.504   10.368  505.505   51.737  491.613   73.197  519.375   73.137  196.964   14.994  202.564   14.556 -5.599701 20.89733 
1 1 1   16   13   11 o  574.360   18.331  4177.01  262.922  4164.37  371.912  4189.65  371.744  569.407   26.156  571.190   26.062 -1.782959 36.92380 
1 1 1   16   13   12 o  142.503   8.7885  255.350   31.122  259.403   44.599  251.503   43.449  143.107   12.609  140.915   12.476 2.192093 17.73798 
1 1 1   16   13   13 o  419.911   14.479  2221.80  151.827  2185.99  214.917  2257.48  214.516  414.000   20.855  421.390   20.386 -7.389832 29.16358 
1 1 1   16   13   14 o  219.131   10.173  602.327   55.666  625.622   79.419  579.830   78.047  222.367   14.379  213.975   14.695 8.391739 20.56005 
1 1 1   16   13   15 o  437.516   14.315  2412.36  156.403  2525.02  221.845  2301.02  220.534  445.686   19.933  425.133   20.773 20.55286 28.78958 
1 1 1   16   13   16 o  236.199   10.810  700.362   63.759  674.341   90.934  725.525   89.423  230.522   15.894  239.346   15.038 -8.824081 21.88020 
1 1 1   16   13   17 o  165.921   10.152  346.679   41.860  320.141   60.138  371.622   58.303  158.522   15.386  171.221   13.752 -12.69879 20.63567 
1 1 1   16   13   18 o  264.712   11.297  880.279   74.676  838.687  106.455  920.572  104.779  256.944   16.682  269.517   15.635 -12.57312 22.86348 
1 1 1   16   13   19 o  257.216   11.133  831.059   71.512  774.846  102.088  885.218  100.205  246.911   16.654  264.347   15.244 -17.43555 22.57779 
1 1 1   16   13   20 o  442.879   14.401  2474.10  159.264  2627.68  226.705  2324.45  223.788  454.289   19.984  426.846   20.995 27.44351 28.98519 
1 1 1   16   13   21 o  561.484   25.643  4065.71  359.542   0.0000   0.0000  4065.71  359.542  ?   ?   561.484   25.643 0.000000 25.64258 
1 1 1   16   13   22 o  134.003   14.592  229.215   48.039  229.215   48.039   0.0000   0.0000  134.003   14.592  ?   ?  0.000000 14.59181 
1 1 1   16   13   23 o  212.320   9.8839  565.708   52.405  618.520   77.193  520.560   71.372  221.009   14.060  202.651   14.193 18.35809 19.97803 
1 1 1   16   13   24 o  444.506   14.825  2495.81  164.561  2535.38  234.846  2457.64  230.659  445.383   21.115  438.526   21.063 6.856293 29.82473 
1 1 1   16   13   25 o  281.867   11.190  998.799   78.766  1031.65  114.895  969.673  108.191  284.959   16.213  276.378   15.741 8.581268 22.59766 
1 1 1   16   13   26 o  197.375   9.9266  490.353   48.770  512.395   73.344  472.882   65.299  200.823   14.728  193.127   13.627 7.695953 20.06507 
1 1 1   16   13   27 o  107.191   10.308  145.684   27.253  162.817   44.351  135.291   34.544  112.188   16.308  102.613   13.834 9.575516 21.38533 
1 1 1   16   13   28 o   64.047   13.545   53.743   20.987   74.404   35.610   42.747   25.978   74.899   19.007   57.495   16.944 17.40390 25.46334 
1 1 1   16   13   29 o  200.036   9.7827  503.033   48.867  445.859   73.874  547.515   65.161  186.619   16.007  207.857   12.613 -21.23849 20.37939 
1 1 1   16   13   30 o  132.723   10.237  223.089   33.666  237.622   51.903  212.533   44.234  135.790   15.589  128.733   13.985 7.057098 20.94269 
1 1 1   16   13   31 o  292.444   11.790  1081.53   86.104  1067.55  125.316  1094.04  118.508  287.871   17.516  292.022   16.316 -4.150848 23.93787 
1 1 1   16   13   32 o  133.113   9.8209  224.668   32.415  207.815   47.614  239.227   44.253  126.581   15.379  136.583   13.137 -10.00235 20.22588 
1 1 1   16   13   33 o  146.351   10.069  271.953   36.576  237.638   52.803  303.606   50.714  135.034   15.968  153.742   13.342 -18.70789 20.80821 
1 1 1   16   13   34 o  167.518   10.315  356.857   42.940  338.060   61.193  375.092   60.270  161.249   15.383  170.366   14.299 -9.116486 21.00270 
1 1 1   16   13   35 o  151.747   16.832  303.447   62.710  308.641  133.102  301.966   71.095  139.902   37.385  150.107   19.422 -10.20470 42.12877 
1 1 1   16   13   36 o   98.865   19.025  133.341   45.266  278.381  125.747  111.749   48.518  131.865   36.792   89.293   21.921 42.57187 42.82705 
1 1 1   16   13   37 o  126.609   11.313  206.492   35.391  207.420   46.714  205.242   54.223  125.370   15.234  123.364   18.143 2.005989 23.69085 
1 1 1   16   13   38 o   63.720   14.417   54.805   22.405   53.981   26.994   56.629   40.167   62.827   16.856   64.862   21.380 -2.034924 27.22530 
1 1 1   16   13   39 o  171.670   11.918  381.567   50.774  369.263   67.238  397.893   77.451  166.265   16.408  171.245   18.400 -4.979828 24.65383 
1 1 1   16   13   40 o  131.733   20.951  244.826   66.612   0.0000   0.0000  244.826   66.612  ?   ?   131.733   20.951 0.000000 20.95059 
1 1 1   16   14    0 o  219.872   12.620  610.049   69.003  638.692   82.787  544.866  124.887  224.544   14.848  204.572   24.965 19.97261 29.04649 
1 1 1   16   14    1 o  229.965   11.391  664.186   65.414  610.267   77.565  796.993  121.731  219.629   14.219  249.732   19.679 -30.10313 24.27856 
1 1 1   16   14    2 o  214.771   12.521  581.854   66.863  651.102   80.428  426.900  120.311  226.901   14.267  180.023   27.646 46.87894 31.11066 
1 1 1   16   14    3 o  256.705   12.194  828.100   78.171  814.311   93.970  859.083  140.860  253.735   14.896  258.724   22.011 -4.988785 26.57791 
1 1 1   16   14    4 f  182.750   11.848  421.226   53.778  415.126   63.694  436.372  100.363  181.017   14.205  183.737   22.333 -2.719971 26.46775 
1 1 1   16   14    5 o  483.177   18.557  2957.43  223.905  2877.35  273.019  3121.92  391.301  474.753   23.029  488.471   32.261 -13.71786 39.63686 
1 1 1   16   14    6 o  770.306   53.299  8319.38  1018.96  8319.38  1018.96   0.0000   0.0000  770.306   53.299  ?   ?  0.000000 53.29923 
1 1 1   16   14    7 o  682.072   46.619  6360.91  789.289  6360.91  789.289   0.0000   0.0000  682.072   46.619  ?   ?  0.000000 46.61923 
1 1 1   16   14    8 o  674.479   20.611  5782.13  347.144  5802.05  490.868  5762.19  491.004  669.591   29.357  667.196   29.470 2.395203 41.59674 
1 1 1   16   14    9 o  457.846   14.727  2641.55  168.382  2661.43  238.073  2621.66  238.184  457.468   20.840  453.970   21.010 3.498810 29.59299 
1 1 1   16   14   10 f  158.414   8.9410  315.408   35.225  334.645   50.246  296.816   49.396  162.700   12.462  153.077   13.047 9.623871 18.04193 
1 1 1   16   14   11 o  366.445   13.348  1689.72  122.149  1658.04  172.662  1721.46  172.828  361.009   19.222  367.991   18.871 -6.981537 26.93675 
1 1 1   16   14   12 o  378.446   12.627  1800.95  119.334  1862.78  169.031  1739.51  168.498  383.601   17.646  370.527   18.211 13.07462 25.35728 
1 1 1   16   14   13 o  409.562   13.708  2112.22  140.200  2148.12  198.591  2076.54  197.957  411.317   19.335  404.310   19.607 7.006744 27.53629 
1 1 1   16   14   14 o  167.777   9.8443  354.231   41.064  326.060   58.534  381.533   57.624  160.132   14.805  173.587   13.397 -13.45464 19.96699 
1 1 1   16   14   15 o  323.113   11.854  1312.10   95.650  1307.49  135.682  1316.66  134.862  321.016   16.986  322.191   16.820 -1.174805 23.90495 
1 1 1   16   14   16 o  450.832   15.163  2565.41  170.705  2627.75  241.983  2503.66  240.848  453.880   21.350  442.844   21.779 11.03610 30.49828 
1 1 1   16   14   17 o  429.399   15.073  2327.36  161.622  2256.13  228.867  2398.21  228.271  419.729   21.912  433.653   21.079 -13.92340 30.40483 
1 1 1   16   14   18 o  217.274   10.682  592.715   57.956  539.602   82.701  643.973   81.243  205.958   16.211  225.497   14.505 -19.53958 21.75251 
1 1 1   16   14   19 o  334.404   12.883  1407.71  107.583  1274.64  152.736  1538.74  151.562  316.003   19.450  348.449   17.418 -32.44601 26.10905 
1 1 1   16   14   20 o  380.208   18.742  1836.63  177.942  1724.74  248.918  1953.57  254.469  363.876   27.599  388.036   26.418 -24.15988 38.20534 
1 1 1   16   14   21 o  277.072   15.942  973.910  109.836  1016.06  152.819  928.866  157.972  281.076   21.946  267.959   23.858 13.11707 32.41642 
1 1 1   16   14   22 o  268.839   15.793  916.966  105.559  1020.78  147.326  807.445  151.319  282.004   21.073  249.359   24.622 32.64540 32.40867 
1 1 1   16   14   23 o  367.524   18.581  1721.04  169.979  1688.95  238.813  1753.98  241.992  360.248   26.737  367.246   26.567 -6.998199 37.69155 
1 1 1   16   14   24 o  177.654   13.596  400.218   59.861  406.884   82.888  392.952   86.542  177.872   18.953  174.409   20.247 3.462921 27.73370 
1 1 1   16   14   25 o  300.565   16.210  1147.47  121.217  1072.05  170.388  1224.76  172.484  287.614   23.941  308.144   22.572 -20.53021 32.90413 
1 1 1   16   14   26 o  161.999   10.552  331.132   42.456  348.344   73.868  322.642   51.881  164.511   18.290  159.438   13.148 5.072876 22.52569 
1 1 1   16   14   27 o   80.294   11.664   82.808   22.704   98.922   37.984   73.851   28.319   86.602   18.145   75.007   15.626 11.59543 23.94602 
1 1 1   16   14   28 f   72.290   12.300   67.672   21.409   69.409   36.030   66.724   26.618   72.437   19.491   71.224   15.413 1.213074 24.84851 
1 1 1   16   14   29 o  141.811   9.8210  254.002   34.565  248.774   54.444  257.531   44.737  139.036   15.971  142.251   12.728 -3.214676 20.42255 
1 1 1   16   14   30 o  419.829   13.947  2235.00  146.218  2233.27  210.385  2236.61  203.360  416.150   20.245  416.919   19.533 -0.7688599 28.13150 
1 1 1   16   14   31 o  319.791   11.774  1293.01   94.027  1342.92  137.184  1248.78  129.130  323.287   17.053  311.934   16.637 11.35385 23.82461 
1 1 1   16   14   32 o  251.099   10.861  796.906   68.100  820.619  100.331  776.647   92.734  252.563   15.991  246.042   15.167 6.520981 22.03942 
1 1 1   16   14   33 f  142.933   9.6209  259.023   34.140  231.532   49.678  283.626   46.996  133.572   15.162  148.762   12.775 -15.18994 19.82640 
1 1 1   16   14   34 o  172.923   10.451  380.242   44.919  379.235   64.983  381.164   62.160  170.912   15.391  171.658   14.641 -0.7460327 21.24221 
1 1 1   16   14   35 o   70.496   13.010   65.538   22.060   68.781   28.469   60.666   34.897   71.434   16.317   66.963   19.611 4.471802 25.51184 
1 1 1   16   14   36 o  114.856   11.155  169.689   31.592  166.396   42.381  173.807   47.392  112.219   15.541  114.072   17.169 -1.852646 23.15803 
1 1 1   16   14   37 o  134.990   17.085  242.967   56.303  331.099  145.212  227.374   61.082  140.437   39.662  129.309   19.524 11.12819 44.20734 
1 1 1   16   14   38 o  140.157   17.884  264.420   61.167  269.857  149.327  263.324   67.051  123.671   41.245  138.693   19.932 -15.02187 45.80885 
1 1 1   16   14   39 o  225.366   13.304  661.214   74.543  662.609   96.135  659.110  118.045  222.384   17.451  217.515   22.037 4.868713 28.10978 
1 1 1   16   14   40 o  159.207   20.071  351.846   78.022   0.0000   0.0000  351.846   78.022  ?   ?   159.207   20.071 0.000000 20.07083 
1 1 1   16   15    0 o  105.566   16.226  144.120   41.404  198.064   50.361   31.616   72.730  124.018   16.685   68.824   27.662 55.19379 32.30413 
1 1 1   16   15    1 o  394.263   16.550  1966.90  162.942  2108.73  198.565  1674.50  285.110  407.174   19.529  355.909   32.435 51.26431 37.86045 
1 1 1   16   15    2 o  258.454   13.167  843.086   84.701  874.557  102.064  773.458  151.813  262.677   15.630  244.002   25.282 18.67470 29.72348 
1 1 1   16   15    3 o   65.753   15.492   56.755   25.020   39.375   27.438  142.540   60.958   56.035   17.601  103.461   24.051 -47.42531 29.80287 
1 1 1   16   15    4 o  349.229   14.998  1538.59  130.793  1592.12  158.930  1426.25  230.230  354.005   18.038  330.934   28.126 23.07126 33.41307 
1 1 1   16   15    5 o  491.760   18.816  3068.12  231.069  3030.86  281.868  3144.47  403.482  486.766   23.189  488.719   33.259 -1.952759 40.54448 
1 1 1   16   15    6 o  344.040   14.760  1492.41  126.804  1527.32  153.772  1418.23  224.163  346.833   17.815  330.446   27.413 16.38757 32.69276 
1 1 1   16   15    7 o  184.767   21.181  440.149   95.964  440.149   95.964   0.0000   0.0000  184.767   21.181  ?   ?  0.000000 21.18114 
1 1 1   16   15    8 o  229.765   12.656  665.873   72.336  720.874   86.987  542.580  130.239  238.691   14.665  203.826   26.194 34.86586 30.01950 
1 1 1   16   15    9 o  499.572   18.365  3163.61  229.103  3025.71  279.404  3446.59  400.247  486.492   22.999  513.270   31.378 -26.77765 38.90391 
1 1 1   16   15   10 o  118.785   8.9887  177.821   26.465  191.753   37.892  164.552   36.980  122.864   12.525  113.589   13.288 9.274811 18.26096 
1 1 1   16   15   11 o  295.860   11.484  1099.55   84.843  1096.34  120.030  1102.76  119.943  294.067   16.411  294.945   16.349 -0.8782654 23.16445 
1 1 1   16   15   12 o  187.947   9.8138  444.214   45.900  436.743   65.067  451.615   64.759  185.643   14.142  188.856   13.828 -3.212723 19.77871 
1 1 1   16   15   13 o  402.407   13.839  2040.01  139.065  2028.03  196.841  2051.96  196.494  399.389   19.736  401.794   19.584 -2.404816 27.80376 
1 1 1   16   15   14 o  179.190   9.6374  403.828   42.966  417.102   61.351  391.051   60.192  181.475   13.638  175.647   13.835 5.827774 19.42652 
1 1 1   16   15   15 o  350.809   12.392  1547.93  108.560  1623.14  154.134  1473.89  152.927  358.007   17.241  340.468   18.051 17.53937 24.96189 
1 1 1   16   15   16 o  219.297   10.791  603.859   59.095  569.455   84.224  637.221   82.938  211.653   16.055  224.226   14.897 -12.57289 21.90155 
1 1 1   16   15   17 o  599.562   19.180  4569.54  287.166  4634.74  406.618  4504.67  405.612  598.468   27.208  589.755   27.542 8.713501 38.71441 
1 1 1   16   15   18 o  224.298   14.524  637.319   80.912  638.564  110.067  635.854  119.350  223.108   19.967  222.066   21.803 1.041672 29.56448 
1 1 1   16   15   19 o  354.854   18.580  1603.67  164.070  1747.74  229.945  1454.25  234.173  367.525   25.207  333.527   28.386 33.99838 37.96255 
1 1 1   16   15   20 o  167.609   21.235  364.060   86.887   0.0000   0.0000  364.060   86.887  ?   ?   167.609   21.235 0.000000 21.23523 
1 1 1   16   15   21 o  304.623   23.523  1197.89  177.556  1197.89  177.556   0.0000   0.0000  304.623   23.523  ?   ?  0.000000 23.52339 
1 1 1   16   15   22 o  271.752   15.637  936.738  105.666  935.930  146.700  937.610  152.329  269.599   21.982  269.517   22.848 0.8132935E-01 31.70541 
1 1 1   16   15   23 f  285.244   15.936  1032.61  113.061  1011.79  157.586  1054.69  162.303  280.022   22.732  285.853   22.930 -5.830811 32.28841 
1 1 1   16   15   24 o  326.268   17.300  1354.24  140.448  1391.15  197.235  1316.27  200.042  327.801   24.267  318.284   25.379 9.516876 35.11427 
1 1 1   16   15   25 o  240.554   14.587  733.646   87.210  705.938  121.925  762.673  124.791  234.021   21.090  243.438   20.725 -9.416931 29.56897 
1 1 1   16   15   26 o  191.005   13.568  462.597   64.295  464.307   90.028  460.818   91.854  189.910   19.250  189.042   19.749 0.8682556 27.57854 
1 1 1   16   15   27 f  190.107   13.436  458.388   63.374  445.886   89.095  471.191   90.164  185.902   19.481  191.260   19.135 -5.358719 27.30689 
1 1 1   16   15   28 o  143.455   12.986  261.821   46.015  281.764   65.169  241.993   64.981  147.638   18.052  136.218   19.673 11.41988 26.70055 
1 1 1   16   15   29 o  190.903   13.417  463.052   63.553  434.415   89.625  492.013   90.131  182.964   19.939  195.258   18.714 -12.29402 27.34567 
1 1 1   16   15   30 o  277.389   15.589  982.291  107.546  993.793  151.111  970.485  153.093  275.997   22.111  272.404   22.713 3.592926 31.69783 
1 1 1   16   15   31 o  145.383   13.031  270.008   46.806  270.176   63.145  269.803   69.731  144.000   17.950  143.179   20.053 0.8206024 26.91296 
1 1 1   16   15   32 o  153.587   10.426  299.158   39.750  356.690   60.407  255.220   52.790  166.576   14.672  140.516   15.291 26.05960 21.19156 
1 1 1   16   15   33 o  154.540   10.206  303.123   39.164  314.689   58.641  293.811   52.620  155.949   15.253  151.023   14.116 4.925705 20.78293 
1 1 1   16   15   34 o   86.778   11.283   97.150   23.872   91.519   33.154  103.212   34.402   82.737   16.624   88.106   16.234 -5.369568 23.23554 
1 1 1   16   15   35 o  144.291   11.125  266.331   39.778  293.774   56.859  240.024   55.669  150.005   15.397  134.836   16.905 15.16942 22.86591 
1 1 1   16   15   36 o  124.383   11.579  199.123   35.553  231.367   49.534  164.862   51.060  132.794   15.212  110.188   19.257 22.60587 24.54056 
1 1 1   16   15   37 o  180.743   11.442  419.237   51.379  426.268   72.097  411.982   73.236  179.846   16.228  176.443   16.825 3.403824 23.37632 
1 1 1   16   15   38 o  190.096   12.355  466.669   58.330  487.866   80.433  443.156   84.715  191.621   16.985  181.218   19.003 10.40283 25.48710 
1 1 1   16   15   39 f  206.711   12.235  552.722   62.877  501.696   85.084  614.119   93.331  193.185   17.839  214.045   17.617 -20.86044 25.07161 
1 1 1   16   15   40 o   82.778   40.304 -136.3407  267.461   0.0000   0.0000 -136.3407  267.461  ?   ?    82.778   40.304 0.000000 40.30420 
1 1 1   16   16    0 o  443.862   18.099  2503.34  200.616  2699.31  244.729  2101.88  350.281  459.358   21.335  395.530   35.854 63.82843 41.72105 
1 1 1   16   16    1 o  347.712   18.979  1542.52  164.168  1750.17  228.127  1319.46  236.433  367.628   24.998  316.283   30.306 51.34573 39.28568 
1 1 1   16   16    2 o  268.320   13.364  907.203   89.544  956.986  107.960  797.462  160.291  274.648   15.808  247.082   26.387 27.56656 30.75956 
1 1 1   16   16    3 o  304.619   13.683  1169.55  104.086  1159.48  125.604  1191.63  185.964  302.169   16.711  303.353   24.765 -1.184082 29.87544 
1 1 1   16   16    4 o   94.843   13.739  115.650   31.592  129.549   35.712   65.624   67.752  100.299   14.694   76.763   27.657 23.53623 31.31823 
1 1 1   16   16    5 o  268.520   11.920  906.531   79.931  838.933   95.745  1061.98  145.195  257.384   14.961  288.074   20.314 -30.69025 25.22846 
1 1 1   16   16    6 o  244.178   12.901  752.488   78.387  810.634   94.299  622.460  141.015  252.999   14.993  218.198   26.418 34.80045 30.37596 
1 1 1   16   16    7 o  222.877   21.532  639.498  118.347  639.498  118.347   0.0000   0.0000  222.877   21.532  ?   ?  0.000000 21.53201 
1 1 1   16   16    8 o  361.851   27.016  1700.30  242.363  1700.30  242.363   0.0000   0.0000  361.851   27.016  ?   ?  0.000000 27.01648 
1 1 1   16   16    9 o  263.120   11.646  870.036   76.523  772.080   91.425  1099.23  139.845  246.925   14.897  293.543   19.183 -46.61804 24.28779 
1 1 1   16   16   10 o  257.304   12.066  832.404   77.530  789.564   93.008  929.963  140.355  249.693   14.986  269.301   21.038 -19.60834 25.82943 
1 1 1   16   16   11 o  211.401   11.897  563.547   62.552  567.227   74.712  554.919  114.391  211.651   14.218  207.189   22.469 4.461182 26.59009 
1 1 1   16   16   12 o  507.276   16.807  3256.91  212.903  3187.06  300.955  3326.88  301.225  498.221   24.190  509.323   23.684 -11.10199 33.85332 
1 1 1   16   16   13 o  440.394   14.524  2446.49  159.728  2479.86  225.920  2413.14  225.860  441.164   20.507  435.068   20.789 6.096436 29.20132 
1 1 1   16   16   14 o  172.586   10.131  375.047   43.469  376.338   61.941  373.794   61.019  172.125   14.547  171.572   14.374 0.5528259 20.45079 
1 1 1   16   16   15 o  441.392   14.831  2459.11  163.474  2478.71  231.510  2439.61  230.865  440.752   21.034  437.212   21.145 3.539886 29.82549 
1 1 1   16   16   16 o  281.754   10.896  997.080   76.663  1017.95  108.947  976.612  107.896  283.437   15.451  277.558   15.631 5.878815 21.97817 
1 1 1   16   16   17 o  615.834   28.565  4930.24  439.293  5019.60  619.333  4839.77  623.193  607.701   41.052  595.327   42.193 12.37341 58.86872 
1 1 1   16   16   18 o  247.171   15.134  774.493   92.961  789.518  127.488  757.434  135.842  247.935   20.783  242.152   22.730 5.782791 30.79938 
1 1 1   16   16   19 o  136.029   14.565  236.128   48.708  293.813   63.541  153.934   75.847  151.346   17.113  106.950   28.052 44.39633 32.85963 
1 1 1   16   16   20 o  142.391   12.849  257.337   45.196  317.224   54.409  124.032   81.175  158.008   13.932   97.274   30.228 60.73438 33.28406 
1 1 1   16   16   21 o  386.030   14.034  1879.75  135.283  1823.97  191.973  1934.78  190.672  377.601   20.435  389.266   19.679 -11.66510 28.36985 
1 1 1   16   16   22 o  370.189   13.407  1727.32  123.940  1696.98  176.174  1757.04  174.394  364.561   19.422  371.199   18.876 -6.638458 27.08334 
1 1 1   16   16   23 o  332.496   12.218  1391.44  101.448  1444.95  145.153  1340.34  141.842  337.062   17.303  324.508   17.569 12.55484 24.65924 
1 1 1   16   16   24 f  395.509   14.303  1975.09  141.268  1888.60  201.090  2059.37  198.503  383.733   21.066  401.825   19.782 -18.09201 28.89818 
1 1 1   16   16   25 o  280.689   11.153  990.631   78.176  983.678  113.234  996.963  108.061  278.123   16.376  280.265   15.500 -2.142181 22.54851 
1 1 1   16   16   26 o  234.297   10.006  689.429   58.544  757.421   86.928  632.992   79.198  244.435   14.304  223.394   14.271 21.04128 20.20549 
1 1 1   16   16   27 o  258.977   10.548  843.148   68.218  947.847  100.812  754.708   92.654  273.296   14.827  243.646   15.306 29.64990 21.31013 
1 1 1   16   16   28 o  148.190   10.235  277.375   37.645  215.458   59.150  319.526   48.804  128.561   18.997  158.697   12.414 -30.13634 22.69316 
1 1 1   16   16   29 o  330.891   12.507  1382.48  103.346  1288.69  150.287  1466.61  142.344  316.600   19.098  339.294   16.800 -22.69327 25.43610 
1 1 1   16   16   30 o  191.630   10.179  463.609   48.537  457.890   74.496  467.828   63.981  188.945   15.937  191.724   13.449 -2.778900 20.85353 
1 1 1   16   16   31 o  207.196   10.181  541.085   52.676  501.267   79.812  571.818   70.118  197.353   16.342  211.899   13.319 -14.54588 21.08173 
1 1 1   16   16   32 o  295.980   13.304  1113.84   98.329  1018.26  123.372  1280.28  162.806  280.562   17.700  312.571   20.980 -32.00903 27.44866 
1 1 1   16   16   33 o  124.234   13.301  198.810   40.622  203.566   51.001  190.557   67.182  124.619   16.818  117.941   23.634 6.678253 29.00746 
1 1 1   16   16   34 o   81.521   15.644   88.320   30.689  107.861   35.184   26.174   62.745   90.121   16.231   62.076   25.418 28.04499 30.15808 
1 1 1   16   16   35 o  159.493   14.175  329.591   55.868  337.248   67.910  313.558   98.268  159.974   17.274  148.524   27.508 11.44966 32.48191 
1 1 1   16   16   36 o  113.533   11.541  166.105   32.267  186.754   44.466  143.140   46.895  119.126   15.301  102.636   18.996 16.48961 24.39244 
1 1 1   16   16   37 o  130.240   11.628  218.596   37.421  208.195   51.098  230.628   54.956  125.017   16.792  131.508   17.142 -6.491089 23.99641 
1 1 1   16   16   38 f  173.262   12.072  387.276   51.904  413.760   71.808  358.301   75.110  176.740   16.459  162.971   18.801 13.76978 24.98753 
1 1 1   16   16   39 o  230.031   20.190  722.793  114.807   0.0000   0.0000  722.793  114.807  ?   ?   230.031   20.190 0.000000 20.19044 
1 1 1   16   17    0 o  334.328   12.977  1409.15  108.344  1255.06  129.711  1764.75  197.050  314.148   16.593  370.535   21.387 -56.38687 27.06913 
1 1 1   16   17    1 o  306.652   14.237  1187.51  109.025  1241.95  131.903  1070.10  193.702  312.425   16.970  285.592   27.500 26.83286 32.31511 
1 1 1   16   17    2 o  213.011   15.133  576.445   79.972  635.072  106.153  499.498  121.613  222.474   19.299  195.050   25.585 27.42430 32.04731 
1 1 1   16   17    3 o  207.878   12.574  546.103   64.967  592.225   77.235  434.515  120.135  216.119   14.393  181.126   27.418 34.99223 30.96642 
1 1 1   16   17    4 o  240.490   12.197  729.657   73.008  726.281   87.166  737.593  133.635  239.386   14.652  238.827   22.679 0.5596161 27.00045 
1 1 1   16   17    5 o  422.962   17.301  2268.66  182.741  2396.49  222.748  2005.52  319.588  433.329   20.585  388.518   33.261 44.81110 39.11557 
1 1 1   16   17    6 o  219.794   12.297  609.755   67.222  608.347   80.006  613.135  123.963  219.033   14.713  217.473   23.184 1.559464 27.45807 
1 1 1   16   17    7 o  148.182   11.385  277.576   41.805  283.026   48.309  261.324   83.421  149.348   13.085  140.624   24.655 8.723846 27.91185 
1 1 1   16   17    8 o  176.451   21.170  402.849   91.417  402.849   91.417   0.0000   0.0000  176.451   21.170  ?   ?  0.000000 21.16951 
1 1 1   16   17    9 o  201.047   11.733  509.886   58.651  506.546   69.288  518.329  110.160  199.961   13.964  200.062   22.437 -0.1011200 26.42699 
1 1 1   16   17   10 o   87.696   13.675   99.172   28.971  100.699   32.279   92.846   65.700   88.076   15.227   85.282   27.287 2.794182 31.24832 
1 1 1   16   17   11 o  216.622   12.364  592.298   66.607  618.578   79.869  532.279  120.702  220.937   14.558  202.127   24.407 18.81055 28.41936 
1 1 1   16   17   12 o  318.899   14.544  1283.36  115.823  1357.58  140.594  1126.59  204.324  326.844   17.287  293.336   28.242 33.50797 33.11313 
1 1 1   16   17   13 o   79.226   14.417   81.593   27.472   77.449   30.678   98.371   61.728   76.801   16.489   86.786   26.248 -9.985001 30.99721 
1 1 1   16   17   14 o   93.825   13.781  113.272   31.327  122.156   35.527   82.220   66.416   97.237   15.122   81.766   27.507 15.47118 31.38939 
1 1 1   16   17   15 o  345.249   13.220  1501.62  113.977  1457.15  161.329  1545.94  161.048  337.925   19.197  348.332   18.582 -10.40729 26.71713 
1 1 1   16   17   16 o  279.524   11.521  982.251   80.417  987.646  114.136  976.933  113.323  278.839   16.465  277.326   16.437 1.512695 23.26477 
1 1 1   16   17   17 o  263.894   15.816  883.847  103.748  947.170  142.708  812.863  151.095  271.499   21.218  250.198   24.498 21.30087 32.40861 
1 1 1   16   17   18 o   84.629   16.460   93.691   33.532   92.645   40.369   96.019   60.224   83.666   19.656   85.732   25.925 -2.066391 32.53399 
1 1 1   16   17   19 o  262.377   11.707  865.743   76.702  874.088  109.723  857.768  107.265  262.119   16.852  259.716   16.626 2.403290 23.67338 
1 1 1   16   17   20 o  378.787   15.853  1815.26  149.954  1738.28  184.796  1963.66  256.587  368.674   20.149  388.568   26.603 -19.89453 33.37239 
1 1 1   16   17   21 o  364.150   13.722  1672.32  124.784  1596.33  177.175  1747.12  175.775  353.213   20.171  370.028   19.088 -16.81509 27.77040 
1 1 1   16   17   22 o  328.767   12.525  1360.99  102.826  1323.72  146.237  1397.44  144.611  322.234   18.248  331.368   17.538 -9.133911 25.30999 
1 1 1   16   17   23 o  209.335   9.7622  550.006   51.032  604.679   74.308  501.202   70.206  218.530   13.686  198.758   14.239 19.77235 19.74985 
1 1 1   16   17   24 o  147.695   9.7781  275.006   35.860  281.037   53.721  270.159   48.159  148.434   14.686  145.771   13.379 2.663361 19.86657 
1 1 1   16   17   25 o  153.315   9.5225  296.139   36.277  329.843   55.179  270.480   48.145  161.071   13.853  145.842   13.368 15.22987 19.25169 
1 1 1   16   17   26 o  130.058   9.7790  213.585   31.528  259.690   50.130  183.414   40.552  142.670   14.262  119.755   13.813 22.91473 19.85461 
1 1 1   16   17   27 o  400.630   13.519  2027.02  135.252  2145.60  194.775  1916.60  187.959  409.909   19.028  386.736   19.526 23.17313 27.26381 
1 1 1   16   17   28 o  323.860   12.245  1322.79   99.034  1321.31  143.814  1324.12  136.575  321.358   17.993  322.100   17.040 -0.7422485 24.78169 
1 1 1   16   17   29 o  163.219   9.5072  335.950   38.582  405.379   61.232  290.235   49.687  178.419   13.852  150.919   13.321 27.49977 19.21741 
1 1 1   16   17   30 o  142.456   9.7376  256.519   34.433  305.893   55.325  225.302   43.991  154.550   14.505  132.696   13.462 21.85356 19.78924 
1 1 1   16   17   31 o  263.433   10.979  876.133   72.227  836.992  107.130  908.750   97.797  255.046   16.917  266.736   14.739 -11.68942 22.43704 
1 1 1   16   17   32 o  184.626   9.7963  431.043   45.004  435.476   68.753  427.719   59.529  184.003   15.096  183.003   13.113 1.000458 19.99596 
1 1 1   16   17   33 o  171.999   10.440  375.469   44.630  390.651   67.387  363.605   59.566  173.715   15.704  168.050   14.331 5.665085 21.26018 
1 1 1   16   17   34 o  212.604   9.9140  571.841   52.635  595.243   78.508  552.733   70.940  214.765   14.728  207.344   13.779 7.421799 20.16850 
1 1 1   16   17   35 o   95.818   11.083  118.226   26.029  118.813   35.743  117.564   37.979   94.690   15.663   93.786   16.835 0.9042053 22.99499 
1 1 1   16   17   36 o   90.694   12.331  107.082   27.204  128.228   36.664   81.184   40.576   98.355   15.436   76.587   20.716 21.76833 25.83422 
1 1 1   16   17   37 o  159.624   15.844  335.436   62.321  370.454   71.746  227.800  125.785  166.919   17.471  118.186   37.750 48.73318 41.59733 
1 1 1   16   17   38 o   65.738   16.573   58.973   27.199   64.317   27.743 -73.1977  137.975   68.689   16.401   68.022   31.943 0.6671753 35.90753 
1 1 1   16   17   39 o  100.729   42.599  151.850  184.637   0.0000   0.0000  151.850  184.637  ?   ?   100.729   42.599 0.000000 42.59892 
1 1 1   16   18    0 o  461.982   18.117  2718.56  209.006  2733.85  254.028  2686.52  367.724  461.085   22.062  448.048   33.100 13.03662 39.77905 
1 1 1   16   18    1 o  279.991   13.507  989.554   94.439  1019.10  113.264  922.156  171.061  283.064   16.090  265.240   26.167 17.82364 30.71818 
1 1 1   16   18    2 o  140.704   14.205  252.566   49.227  231.475   60.116  295.495   85.765  133.629   18.512  149.730   23.729 -16.10124 30.09609 
1 1 1   16   18    3 f  432.143   17.774  2374.16  191.806  2563.85  234.074  1986.47  334.629  447.524   20.945  384.062   35.285 63.46182 41.03378 
1 1 1   16   18    4 o  200.859   12.064  509.661   60.229  526.159   71.061  467.579  113.494  203.676   14.057  188.872   24.651 14.80402 28.37767 
1 1 1   16   18    5 o  483.867   19.022  2982.18  229.841  3065.06  280.231  2811.84  401.747  488.334   22.980  457.749   35.422 30.58545 42.22283 
1 1 1   16   18    6 o  319.046   13.949  1284.53  111.134  1225.08  134.002  1415.51  198.899  310.215   17.368  330.598   24.262 -20.38275 29.83766 
1 1 1   16   18    7 o  159.281   10.803  320.217   42.715  305.160   49.249  365.935   85.817  155.126   12.828  168.016   20.906 -12.88945 24.52792 
1 1 1   16   18    8 o  393.595   18.713  1970.71  183.923  1970.71  183.923   0.0000   0.0000  393.595   18.713  ?   ?  0.000000 18.71268 
1 1 1   16   18    9 o  358.232   26.923  1672.53  239.083  1672.53  239.083   0.0000   0.0000  358.232   26.923  ?   ?  0.000000 26.92290 
1 1 1   16   18   10 o  189.214   12.480  452.630   58.636  513.300   69.692  305.616  108.487  201.250   13.954  150.563   29.908 50.68643 33.00338 
1 1 1   16   18   11 o  298.802   13.644  1125.79  101.806  1157.56  122.983  1056.61  181.465  301.917   16.373  284.881   25.788 17.03662 30.54656 
1 1 1   16   18   12 o  124.267   11.938  196.014   36.591  200.444   41.856  181.651   75.360  125.378   13.586  116.285   26.537 9.093597 29.81277 
1 1 1   16   18   13 o  202.026   11.969  515.234   60.113  500.843   71.274  550.697  111.886  198.673   14.465  206.288   22.062 -7.614151 26.38118 
1 1 1   16   18   14 o  263.905   11.849  876.077   78.090  830.213   93.621  980.949  141.570  255.986   14.707  276.462   20.655 -20.47539 25.35651 
1 1 1   16   18   15 f  184.998   11.457  431.920   52.670  422.529   62.163  455.816   99.163  182.542   13.738  187.623   21.556 -5.080658 25.56173 
1 1 1   16   18   16 o  226.654   12.025  648.157   67.819  661.362   81.544  618.529  122.142  228.456   14.367  218.501   22.717 9.954956 26.87888 
1 1 1   16   18   17 o  217.069   14.601  597.635   78.688  610.659  105.613  581.384  117.974  218.092   19.602  211.786   22.658 6.305496 29.96035 
1 1 1   16   18   18 o  214.770   22.088  596.712  116.775   0.0000   0.0000  596.712  116.775  ?   ?   214.770   22.088 0.000000 22.08825 
1 1 1   16   18   19 o  228.283   12.667  658.273   71.927  707.836   86.417  546.521  129.764  236.280   14.719  204.048   26.062 32.23257 29.93120 
1 1 1   16   18   20 o  198.297   11.158  495.815   55.030  440.628   78.407  549.392   77.255  185.640   17.106  207.984   14.975 -22.34401 22.73446 
1 1 1   16   18   21 o  139.179   9.7590  244.295   33.704  265.174   49.383  226.090   46.113  144.331   13.872  133.125   14.085 11.20558 19.76940 
1 1 1   16   18   22 o  527.796   17.472  3536.93  230.283  3591.38  326.396  3482.96  324.947  527.431   24.782  519.214   25.062 8.216980 35.24523 
1 1 1   16   18   23 o  307.894   10.810  1191.43   83.114  1269.79  118.982  1116.76  116.149  316.892   15.036  296.608   15.738 20.28409 21.76564 
1 1 1   16   18   24 o  315.628   11.125  1252.71   87.684  1380.23  126.131  1133.45  121.979  330.267   15.294  298.557   16.424 31.70987 22.44202 
1 1 1   16   18   25 o  126.165   9.8585  201.081   30.813  211.475   47.659  193.616   40.390  128.423   15.153  123.183   13.344 5.240173 20.19062 
1 1 1   16   18   26 o  150.955   9.8126  287.382   36.789  308.970   56.126  271.120   48.713  155.636   14.612  145.940   13.520 9.695496 19.90761 
1 1 1   16   18   27 o  227.848   10.114  652.472   57.544  700.252   85.721  613.278   77.637  234.751   14.697  219.756   14.224 14.99481 20.45259 
1 1 1   16   18   28 o  189.154   9.9927  451.045   47.033  454.398   71.547  448.493   62.414  188.655   15.319  187.908   13.389 0.7469482 20.34548 
1 1 1   16   18   29 o  106.811   10.211  144.844   26.904  135.497   44.187  150.350   33.916  101.510   18.095  108.347   12.781 -6.836639 22.15380 
1 1 1   16   18   30 o  272.538   11.538  937.799   78.527  834.710  115.549  1026.27  107.046  254.393   18.312  283.582   15.171 -29.18939 23.77981 
1 1 1   16   18   31 o   99.836   10.427  127.048   25.612  156.594   41.877  109.393   32.372  109.678   15.741   91.608   14.644 18.06995 21.49975 
1 1 1   16   18   32 o   77.268   11.174   77.030   20.935   56.122   32.720   91.522   27.241   65.089   18.969   83.819   13.471 -18.73044 23.26546 
1 1 1   16   18   33 o  171.682   9.8133  373.452   41.897  364.194   63.827  380.461   55.537  167.762   15.408  172.356   12.999 -4.594345 20.15877 
1 1 1   16   18   34 o  189.896   9.9258  457.488   46.905  465.639   70.331  450.958   62.949  189.703   14.968  187.263   13.553 2.440231 20.19212 
1 1 1   16   18   35 o  102.441   10.502  134.552   26.487  145.815   37.201  122.973   37.720  105.497   14.504   96.140   16.293 9.357315 21.81409 
1 1 1   16   18   36 o  123.747   10.272  195.860   31.455  166.533   43.712  227.356   45.299  112.089   16.077  132.135   13.939 -20.04657 21.27801 
1 1 1   16   18   37 o  102.514   11.389  135.844   28.662  153.113   38.580  114.569   42.820  107.753   14.723   91.214   19.396 16.53864 24.35092 
1 1 1   16   18   38 o   82.442   19.422   94.383   39.328   0.0000   0.0000   94.383   39.328  ?   ?    82.442   19.422 0.000000 19.42229 
1 1 1   16   18   39 o  133.774   45.985  350.282  185.722   0.0000   0.0000  350.282  185.722  ?   ?   133.774   45.985 0.000000 45.98539 
1 1 1   16   19    0 o  576.145   22.371  4280.31  321.857  4561.88  392.918  3706.04  561.132  590.903   26.628  511.678   44.354 79.22519 51.73338 
1 1 1   16   19    1 o  160.818   12.272  327.861   48.910  329.824   56.031  321.576  100.250  160.920   14.085  155.016   26.871 5.903870 30.33909 
1 1 1   16   19    2 o  192.859   12.243  470.595   58.657  512.150   68.786  359.836  112.300  200.879   13.796  163.620   28.522 37.25937 31.68323 
1 1 1   16   19    3 o  263.076   14.685  878.179   96.088  716.437  126.803  1096.30  147.255  235.203   21.839  291.986   20.322 -56.78299 29.83150 
1 1 1   16   19    4 f  220.027   12.710  612.325   69.539  634.411   82.415  557.737  129.568  223.457   14.854  205.870   25.768 17.58734 29.74241 
1 1 1   16   19    5 o  272.971   13.149  939.897   89.630  959.571  107.261  894.369  163.169  274.795   15.696  261.649   25.288 13.14600 29.76333 
1 1 1   16   19    6 o  223.233   11.863  629.047   65.892  637.590   77.970  607.698  123.252  224.276   13.992  216.124   23.200 8.152145 27.09266 
1 1 1   16   19    7 o  186.258   12.363  438.846   57.175  489.386   67.444  309.746  107.792  196.425   13.838  151.451   29.562 44.97432 32.64080 
1 1 1   16   19    8 o  124.754   11.240  197.277   34.639  159.399   38.765  347.362   77.164  111.471   14.252  164.034   19.201 -52.56335 23.91247 
1 1 1   16   19    9 f  168.265   21.226  367.742   87.203  367.742   87.203   0.0000   0.0000  168.265   21.226  ?   ?  0.000000 21.22557 
1 1 1   16   19   10 f   94.953   20.157  119.290   46.316  143.301   59.555   82.542   73.678  103.572   23.558   83.079   28.941 20.49310 37.31680 
1 1 1   16   19   11 o  299.780   13.565  1133.61  101.551  1112.09  122.102  1181.90  182.896  295.732   16.601  301.770   24.482 -6.038147 29.57940 
1 1 1   16   19   12 o  569.766   20.921  4151.89  297.668  4005.10  363.012  4453.17  520.059  555.906   26.150  575.534   36.372 -19.62830 44.79688 
1 1 1   16   19   13 o  322.073   13.604  1308.46  109.410  1261.05  132.039  1412.33  195.438  314.903   16.852  330.379   23.849 -15.47565 29.20236 
1 1 1   16   19   14 o  380.466   15.272  1830.72  145.095  1777.15  175.920  1944.69  256.598  373.130   18.942  386.253   26.768 -13.12250 32.79241 
1 1 1   16   19   15 f  249.285   12.463  782.588   77.587  758.484   92.961  837.925  140.853  244.427   15.307  254.650   22.377 -10.22212 27.11157 
1 1 1   16   19   16 o  411.732   15.553  2145.01  159.906  2036.67  194.256  2372.75  281.630  399.707   19.462  426.946   26.547 -27.23984 32.91640 
1 1 1   16   19   17 o  264.263   15.369  886.226  100.984  839.426  136.775  942.311  149.730  255.141   21.672  270.139   22.398 -14.99756 31.16648 
1 1 1   16   19   18 o   87.752   16.336  100.585   34.481   92.511   40.468  121.977   65.872   83.552   19.714   95.522   26.621 -11.96989 33.12557 
1 1 1   16   19   19 o   67.134   16.662   59.367   27.802   50.559   30.995   95.633   62.892   62.557   18.527   85.773   26.599 -23.21605 32.41574 
1 1 1   16   19   20 o  144.898   8.9898  264.329   32.368  322.156   47.204  213.008   44.469  159.559   11.933  129.174   14.010 30.38542 18.40351 
1 1 1   16   19   21 o  261.195   10.936  857.562   71.330  939.600  101.881  778.680   99.901  272.192   15.047  247.383   16.262 24.80910 22.15565 
1 1 1   16   19   22 o  408.832   14.275  2111.19  145.740  2224.60  207.082  1999.90  205.145  417.430   19.866  394.826   20.881 22.60376 28.82137 
1 1 1   16   19   23 o  228.129   9.8031  653.422   55.846  755.850   80.810  559.782   77.266  244.442   13.288  209.899   14.837 34.54346 19.91762 
1 1 1   16   19   24 o   79.394   11.643   80.979   22.398   91.345   35.770   74.293   28.727   83.236   17.751   75.216   15.797 8.019760 23.76196 
1 1 1   16   19   25 o  157.754   9.9368  313.807   38.945  301.377   57.919  324.065   52.615  153.544   15.310  159.710   13.314 -6.166016 20.28902 
1 1 1   16   19   26 f  181.887   9.3125  416.402   42.156  486.795   63.104  359.667   56.652  195.999   12.966  168.212   13.603 27.78705 18.79276 
1 1 1   16   19   27 o  315.987   12.131  1258.91   95.721  1275.08  138.199  1244.00  132.708  315.864   17.591  312.184   17.088 3.680054 24.52394 
1 1 1   16   19   28 o  105.558   10.442  141.544   27.164  157.444   43.695  131.528   34.680  110.110   16.391  100.979   14.141 9.130905 21.64751 
1 1 1   16   19   29 f  193.292   9.4783  469.771   45.751  530.181   69.959  424.630   60.475  204.103   13.807  182.680   13.349 21.42322 19.20509 
1 1 1   16   19   30 o  160.944   11.207  328.484   44.759  325.791   59.570  331.977   67.829  159.271   15.160  160.152   17.231 -0.8814850 22.95123 
1 1 1   16   19   31 o  303.221   11.630  1163.11   88.060  1201.60  128.944  1129.47  120.550  305.535   16.967  296.518   16.343 9.016998 23.55805 
1 1 1   16   19   32 o   98.486   10.565  123.935   25.577  141.992   41.155  112.572   32.647  103.973   16.394   92.845   14.560 11.12853 21.92580 
1 1 1   16   19   33 o  115.503   9.7936  169.704   27.982  182.911   43.274  160.214   36.682  118.557   14.949  111.283   13.475 7.274483 20.12562 
1 1 1   16   19   34 o  111.782   10.363  159.631   28.598  167.742   42.252  152.773   38.849  113.142   15.351  108.079   14.782 5.062790 21.31063 
1 1 1   16   19   35 o  108.323   10.328  150.208   27.598  141.495   39.082  158.874   38.976  103.497   15.607  110.160   14.523 -6.663795 21.31844 
1 1 1   16   19   36 o  136.455   10.310  237.966   34.873  250.227   49.850  226.215   48.803  138.370   14.650  131.287   15.165 7.083466 21.08524 
1 1 1   16   19   37 o  108.954   10.628  152.641   28.549  153.509   39.258  151.666   41.593  107.774   14.993  106.673   16.117 1.100800 22.01208 
1 1 1   16   19   38 o  167.553   16.756  372.985   69.171   0.0000   0.0000  372.985   69.171  ?   ?   167.553   16.756 0.000000 16.75644 
1 1 1   16   20    0 o  218.004   13.282  602.811   71.962  700.288   84.987  355.894  135.262  234.668   14.575  159.579   34.914 75.08838 37.83366 
1 1 1   16   20    1 o  170.247   12.039  367.228   50.854  376.204   58.212  338.302  104.497  171.970   13.668  158.693   27.357 13.27699 30.58142 
1 1 1   16   20    2 o  347.932   14.991  1534.14  130.252  1575.73  156.958  1442.15  233.434  351.062   17.964  329.938   28.616 21.12427 33.78704 
1 1 1   16   20    3 o  291.017   13.333  1069.72   96.893  1064.04  115.734  1083.04  177.173  289.061   16.097  287.805   24.897 1.255951 29.64761 
1 1 1   16   20    4 o  348.169   17.357  1542.78  150.908  1367.94  205.579  1747.09  222.223  323.351   25.671  366.405   24.427 -43.05362 35.43562 
1 1 1   16   20    5 o  156.588   11.741  310.493   45.576  299.852   52.174  344.767   93.634  153.463   13.761  161.742   23.902 -8.278900 27.58051 
1 1 1   16   20    6 f  124.467   12.553  197.242   38.485  225.308   43.626   98.768   81.716  132.960   13.318   89.160   30.508 43.79980 33.28852 
1 1 1   16   20    7 o  215.084   11.822  584.256   63.253  548.193   74.140  680.726  121.258  207.749   14.379  229.389   21.416 -21.64009 25.79569 
1 1 1   16   20    8 o  294.228   12.996  1091.92   95.490  1036.80  114.259  1219.57  173.889  285.509   16.091  306.966   22.848 -21.45789 27.94597 
1 1 1   16   20    9 o  153.559   11.343  298.261   43.188  281.863   49.144  353.875   90.506  148.877   13.361  164.462   22.637 -15.58464 26.28628 
1 1 1   16   20   10 o   66.608   24.201   48.187   52.033   48.187   52.033   0.0000   0.0000   66.608   24.201  ?   ?  0.000000 24.20098 
1 1 1   16   20   11 o   42.072   15.717   17.021   22.204   16.694   23.658   19.436   64.331   42.698   16.165   62.500   25.681 -19.80179 30.34527 
1 1 1   16   20   12 o  200.093   11.511  505.394   57.276  473.280   67.012  592.456  110.336  193.104   13.992  214.180   20.896 -21.07689 25.14734 
1 1 1   16   20   13 o  102.921   12.768  135.495   32.112  108.454   35.499  257.249   75.326   91.208   16.178  139.950   22.302 -48.74189 27.55230 
1 1 1   16   20   14 f  107.179   12.327  146.545   32.391  138.052   35.981  182.848   74.390  103.601   14.288  116.569   26.194 -12.96801 29.83729 
1 1 1   16   20   15 o  200.063   11.851  505.520   58.941  491.968   69.376  540.683  111.750  196.863   14.208  204.087   22.289 -7.224808 26.43252 
1 1 1   16   20   16 o  330.566   14.369  1380.59  118.614  1352.97  143.267  1440.76  211.492  325.812   17.675  332.572   25.664 -6.760742 31.16181 
1 1 1   16   20   17 o  113.929   27.867  175.671   78.628   0.0000   0.0000  175.671   78.628  ?   ?   113.929   27.867 0.000000 27.86722 
1 1 1   16   20   18 o  101.741   18.678  135.748   45.706  135.748   45.706   0.0000   0.0000  101.741   18.678  ?   ?  0.000000 18.67791 
1 1 1   16   20   19 o  265.669   12.970  889.789   86.044  939.469  103.845  780.975  153.686  272.050   15.348  244.367   25.563 27.68275 29.81708 
1 1 1   16   20   20 o   59.434   17.308   45.761   27.249   57.173   30.242  -3.4936   62.826   65.971   17.901   56.519   24.396 9.451897 30.25920 
1 1 1   16   20   21 o   72.555   16.402   69.345   29.020   68.646   32.565   72.041   63.960   72.076   18.114   77.703   26.971 -5.626930 32.48911 
1 1 1   16   20   22 o  159.690   12.109  322.949   47.928  350.003   56.622  254.575   90.015  165.945   13.789  137.678   27.147 28.26758 30.44780 
1 1 1   16   20   23 o   81.037   15.917   86.026   31.061  100.166   35.252   36.940   65.681   87.432   16.756   67.537   26.565 19.89486 31.40812 
1 1 1   16   20   24 o  361.010   13.186  1644.59  118.874  1720.11  169.330  1571.21  166.923  366.884   18.542  350.336   19.153 16.54785 26.65789 
1 1 1   16   20   25 o  203.806   10.552  523.633   53.520  505.396   77.574  540.198   73.933  199.051   15.735  206.163   14.452 -7.112335 21.36457 
1 1 1   16   20   26 o  230.101   9.6587  665.138   55.500  799.494   81.692  549.971   75.634  251.312   13.062  207.917   14.661 43.39507 19.63596 
1 1 1   16   20   27 o  309.818   13.934  1214.65  107.803  1144.61  134.336  1341.33  180.675  298.889   18.083  321.368   22.659 -22.47879 28.99022 
1 1 1   16   20   28 o   75.046   16.070   74.306   29.209   90.243   77.405   71.660   31.540   85.445   29.669   73.495   17.446 11.95031 34.41885 
1 1 1   16   20   29 o   81.447   15.896   87.294   31.170   97.750   83.575   85.604   33.594   88.367   30.821   80.365   17.255 8.002625 35.32247 
1 1 1   16   20   30 o  100.169   14.960  130.444   36.275  173.165   89.393  122.023   39.690  111.166   31.022   96.248   17.142 14.91837 35.44343 
1 1 1   16   20   31 o  344.608   18.533  1538.23  158.902  1543.83  235.862  1533.57  215.024  337.366   28.257  338.620   25.618 -1.253876 38.14109 
1 1 1   16   20   32 f  181.283   11.280  417.779   50.812  567.894  117.698  383.391   56.332  205.964   23.293  173.079   13.131 32.88522 26.73951 
1 1 1   16   20   33 o  210.962   9.5939  562.191   50.542  580.719   76.127  547.588   67.587  212.411   14.438  206.763   13.158 5.647934 19.53428 
1 1 1   16   20   34 f  164.410   9.6464  343.116   39.431  360.854   58.789  328.611   53.162  167.051   14.228  159.654   13.460 7.397202 19.58612 
1 1 1   16   20   35 o   95.681   10.743  117.769   25.225  115.786   33.859  120.243   37.817   93.602   14.992   94.884   16.563 -1.282181 22.33994 
1 1 1   16   20   36 o   60.365   16.959   49.179   26.621   88.531  111.272   46.789   27.418   86.194   34.362   59.059   17.408 27.13516 38.52025 
1 1 1   16   20   37 o  113.855   17.366  174.125   47.812   0.0000   0.0000  174.125   47.812  ?   ?   113.855   17.366 0.000000 17.36600 
1 1 1   16   21    0 o  131.728   13.085  221.467   42.473  231.615   47.282  179.054   96.664  134.464   14.301  113.717   32.445 20.74691 35.45724 
1 1 1   16   21    1 o  176.476   11.411  394.100   50.020  379.073   56.584  447.827  106.995  172.669   13.223  184.325   23.801 -11.65607 27.22777 
1 1 1   16   21    2 o  210.920   12.432  563.414   65.189  565.810   75.763  556.585  127.933  210.844   14.477  205.108   25.530 5.735291 29.34911 
1 1 1   16   21    3 o  151.336   12.253  290.765   45.909  312.560   51.988  213.571   97.839  156.691   13.416  124.263   31.490 32.42771 34.22895 
1 1 1   16   21    4 o  194.245   11.569  477.035   55.865  466.110   64.225  510.997  113.237  191.567   13.512  197.426   23.426 -5.859375 27.04317 
1 1 1   16   21    5 o  219.117   14.577  610.548   79.308  555.494  102.099  694.305  125.932  207.302   19.970  231.126   22.088 -23.82362 29.77714 
1 1 1   16   21    6 o  410.847   16.720  2146.30  171.539  2185.80  207.930  2062.13  303.525  412.920   20.165  393.028   31.182 19.89169 37.13400 
1 1 1   16   21    7 o  182.892   12.411  423.693   56.349  462.169   65.709  316.757  109.546  190.718   13.892  152.688   29.800 38.03041 32.87927 
1 1 1   16   21    8 o  183.955   11.217  427.452   51.279  409.245   59.081  483.054  103.246  179.562   13.270  192.660   21.846 -13.09805 25.56088 
1 1 1   16   21    9 o   97.556   13.953  122.628   33.023  143.914   36.670   31.302   75.955  105.771   14.246   69.503   28.151 36.26710 31.55008 
1 1 1   16   21   10 o  195.733   10.851  483.312   52.832  424.288   60.449  674.240  108.719  182.859   13.330  229.016   19.187 -46.15669 23.36293 
1 1 1   16   21   11 o  178.848   21.266  415.763   93.117  415.763   93.117   0.0000   0.0000  178.848   21.266  ?   ?  0.000000 21.26625 
1 1 1   16   21   12 o  307.752   13.659  1196.07  104.970  1182.98  126.057  1225.67  189.582  304.808   16.624  306.610   24.978 -1.802094 30.00397 
1 1 1   16   21   13 o  102.176   12.457  133.473   31.126  114.715   34.083  227.723   76.398   94.090   15.010  130.832   24.278 -36.74154 28.54340 
1 1 1   16   21   14 o   85.884   14.847   95.886   30.690  105.653   33.765   49.489   73.595   90.099   15.570   73.420   28.334 16.67873 32.33084 
1 1 1   16   21   15 o  144.620   12.366  265.410   44.229  289.234   50.633  188.695   90.858  150.773   13.594  117.505   30.645 33.26841 33.52529 
1 1 1   16   21   16 o  349.059   27.376  1597.79  236.712   0.0000   0.0000  1597.79  236.712  ?   ?   349.059   27.376 0.000000 27.37585 
1 1 1   16   21   17 o  208.756   12.870  551.525   66.767  578.132   78.245  480.261  128.052  213.303   14.781  190.073   27.800 23.23021 31.48525 
1 1 1   16   21   18 o  320.336   17.394  1308.01  138.622  1298.99  189.202  1318.46  203.680  316.266   24.139  317.728   25.896 -1.461823 35.40181 
1 1 1   16   21   19 o   56.296   16.776   40.762   25.353   43.422   27.498   25.672   65.484   58.156   17.503   64.491   26.132 -6.334972 31.45213 
1 1 1   16   21   20 o  143.009   11.608  259.080   41.098  269.971   47.276  225.388   83.153  145.717   13.133  129.477   26.607 16.24030 29.67220 
1 1 1   16   21   21 o  216.168   12.344  590.710   66.360  623.132   79.273  514.788  121.308  221.556   14.406  197.907   25.111 23.64899 28.95001 
1 1 1   16   21   22 o  105.404   13.803  142.645   35.457  159.862   40.536   86.563   73.162  111.438   14.943   84.040   28.864 27.39807 32.50245 
1 1 1   16   21   23 o  272.482   12.951  936.741   88.123  1040.76  106.960  716.924  155.486  286.328   15.011  232.927   27.246 53.40129 31.10779 
1 1 1   16   21   24 o  219.849   11.835  610.597   64.736  648.698   77.831  525.070  116.609  226.147   13.849  200.238   23.786 25.90918 27.52354 
1 1 1   16   21   25 o  318.582   14.663  1285.20  116.652  1463.51  142.500  922.982  203.102  339.216   16.822  261.836   31.709 77.38058 35.89484 
1 1 1   16   21   26 o  166.936   24.519  368.969   99.167  368.969   99.167   0.0000   0.0000  166.936   24.519  ?   ?  0.000000 24.51915 
1 1 1   16   21   27 o  199.129   24.135  522.601  117.565  522.601  117.565   0.0000   0.0000  199.129   24.135  ?   ?  0.000000 24.13545 
1 1 1   16   21   28 o  125.359   11.503  199.870   35.607  353.886   85.910  167.924   39.126  164.166   21.471  114.278   14.004 49.88806 25.63366 
1 1 1   16   21   29 o  296.834   12.046  1113.94   89.290  1029.26  128.662  1192.61  124.017  282.494   18.338  305.153   16.334 -22.65952 24.55744 
1 1 1   16   21   30 o  151.723   9.6476  291.119   36.363  304.766   56.291  281.347   47.636  153.959   14.825  148.380   12.987 5.579132 19.70862 
1 1 1   16   21   31 o  297.723   11.055  1121.10   82.188  1233.69  120.562  1023.35  112.336  309.980   15.625  282.055   16.015 27.92480 22.37475 
1 1 1   16   21   32 o  169.754   9.4802  364.725   40.027  380.739   61.626  353.039   52.642  171.935   14.488  166.087   12.791 5.848618 19.32661 
1 1 1   16   21   33 o  153.051   9.0327  296.631   34.369  300.771   52.837  293.595   45.251  152.639   14.019  151.437   12.066 1.202286 18.49623 
1 1 1   16   21   34 o  165.006   9.5821  345.681   39.313  304.634   58.959  378.541   52.752  152.733   15.681  171.767   12.381 -19.03383 19.97982 
1 1 1   16   21   35 o   94.854   9.9833  115.359   23.292  102.595   33.150  127.805   32.735   87.718   15.711   98.846   13.624 -11.12833 20.79484 
1 1 1   16   21   36 o  135.667   9.7585  234.834   32.839  222.334   46.886  246.872   46.011  130.251   14.670  137.789   13.547 -7.537704 19.96845 
1 1 1   16   21   37 o  132.626   15.310  231.994   49.774   0.0000   0.0000  231.994   49.774  ?   ?   132.626   15.310 0.000000 15.31013 
1 1 1   16   22    0 o  128.691   22.782  220.846   70.533  220.846   70.533   0.0000   0.0000  128.691   22.782  ?   ?  0.000000 22.78158 
1 1 1   16   22    1 o  183.445   16.445  432.117   74.533  460.394   95.788  388.728  118.656  187.906   20.760  169.046   29.162 18.85965 35.79660 
1 1 1   16   22    2 o  287.520   14.294  1048.04  102.627  1151.90  122.120  798.377  189.346  300.315   16.345  242.048   32.119 58.26767 36.03915 
1 1 1   16   22    3 o  257.610   12.295  837.818   79.096  813.430   92.580  903.732  152.199  252.822   14.728  262.865   23.432 -10.04253 27.67592 
1 1 1   16   22    4 f  239.193   12.930  724.994   76.944  758.889   90.565  637.042  145.886  244.148   14.926  218.665   27.312 25.48257 31.12479 
1 1 1   16   22    5 f  181.910   11.941  419.080   53.942  430.960   61.891  381.535  110.024  184.111   13.557  168.721   27.026 15.38925 30.23549 
1 1 1   16   22    6 o  210.393   14.396  563.159   75.180  495.706   95.372  673.865  122.181  195.688   19.789  227.662   21.756 -31.97353 29.40948 
1 1 1   16   22    7 o  240.096   12.241  728.980   73.151  704.684   85.606  794.733  140.829  235.413   14.635  246.854   23.115 -11.44110 27.35794 
1 1 1   16   22    8 o  265.962   13.247  893.658   87.982  925.228  104.616  817.372  162.622  269.581   15.607  248.787   26.588 20.79414 30.82976 
1 1 1   16   22    9 o   99.283   13.119  126.566   31.728  111.488   34.480  209.871   81.046   92.573   15.460  124.522   26.853 -31.94901 30.98577 
1 1 1   16   22   10 o  301.864   13.409  1151.19  101.082  1140.58  120.706  1176.08  184.944  299.250   16.213  299.943   24.917 -0.6926575 29.72767 
1 1 1   16   22   11 o   97.318   14.859  122.570   34.965  122.570   34.965   0.0000   0.0000   97.318   14.859  ?   ?  0.000000 14.85880 
1 1 1   16   22   12 o  215.361   21.604  601.836  114.619  601.836  114.619   0.0000   0.0000  215.361   21.604  ?   ?  0.000000 21.60398 
1 1 1   16   22   13 o  122.688   12.337  191.617   37.285  199.368   41.626  160.156   83.857  124.924   13.561  108.432   29.970 16.49297 32.89539 
1 1 1   16   22   14 o  172.602   12.399  377.462   53.087  401.436   61.503  307.398  105.140  177.685   13.974  150.756   28.981 26.92896 32.17380 
1 1 1   16   22   15 o  105.815   13.511  143.613   34.885  142.717   38.660  147.544   80.944  105.122   15.166  104.361   29.661 0.7604523 33.31295 
1 1 1   16   22   16 o  290.105   13.595  1062.99   98.491  1077.58  117.684  1028.88  179.941  290.943   16.263  280.132   26.020 10.81058 30.68434 
1 1 1   16   22   17 f  278.068   12.177  974.376   84.559  941.315  100.213  1056.10  157.562  272.332   14.791  285.658   22.264 -13.32635 26.72929 
1 1 1   16   22   18 f  215.586   14.295  590.192   76.522  519.443   98.107  700.099  122.280  200.608   19.844  232.635   21.285 -32.02760 29.10054 
1 1 1   16   22   19 o  146.706   12.463  273.240   45.228  273.635   51.730  271.958   93.180  146.427   14.331  142.219   27.229 4.208389 30.76984 
1 1 1   16   22   20 o   77.071   15.714   77.963   29.218   90.049   32.034   18.140   71.271   82.900   16.054   64.751   26.859 18.14874 31.29102 
1 1 1   16   22   21 o  155.115   11.424  304.511   43.938  292.541   50.401  342.412   89.683  151.622   13.451  161.503   22.877 -9.880402 26.53847 
1 1 1   16   22   22 o  175.663   12.178  390.765   53.092  462.636   62.540  205.331  100.456  190.984   13.194  121.986   32.422 68.99777 35.00377 
1 1 1   16   22   23 f  335.195   14.380  1421.83  120.366  1569.53  146.502  1115.05  211.144  351.360   16.697  289.399   29.635 61.96075 34.01479 
1 1 1   16   22   24 o  102.855   13.745  136.036   34.422  121.881   38.761  188.853   74.874   96.604   16.670  118.199   26.067 -21.59461 30.94175 
1 1 1   16   22   25 o  297.312   16.595  1128.09  122.715  1128.09  122.715   0.0000   0.0000  297.312   16.595  ?   ?  0.000000 16.59482 
1 1 1   16   22   26 o  222.426   23.398  648.500  128.011  648.500  128.011   0.0000   0.0000  222.426   23.398  ?   ?  0.000000 23.39775 
1 1 1   16   22   27 o  233.325   12.986  690.683   75.366  741.684   91.459  582.781  133.031  241.094   15.270  209.270   26.018 31.82411 30.16796 
1 1 1   16   22   28 f   71.375   17.399   67.749   30.729   73.685   34.947   47.516   64.523   74.313   18.814   69.576   26.611 4.736732 32.59023 
1 1 1   16   22   29 o  241.728   11.801  738.938   71.234  792.166   87.623  635.205  122.324  249.221   14.138  219.432   22.649 29.78877 26.69948 
1 1 1   16   22   30 o  381.407   15.115  1858.45  143.963  1922.46  177.417  1735.06  246.326  385.809   18.415  358.211   27.754 27.59698 33.30753 
1 1 1   16   22   31 o  279.564   12.300  992.430   85.869  1080.16  107.304  836.210  143.193  290.198   14.857  250.485   23.154 39.71336 27.51094 
1 1 1   16   22   32 o   85.474   11.241   94.167   23.411   60.475   38.356  114.172   29.556   67.519   20.745   93.818   12.962 -26.29924 24.46149 
1 1 1   16   22   33 o  197.018   9.5525  490.802   46.997  470.719   70.650  506.743   62.944  190.691   14.956  198.845   12.743 -8.153915 19.64900 
1 1 1   16   22   34 o  244.716   10.216  759.763   62.427  777.619   91.379  744.135   85.487  244.926   15.013  239.969   14.331 4.957840 20.75485 
1 1 1   16   22   35 o   81.320   9.9715   85.141   19.825   73.608   28.273   96.297   27.806   73.948   15.791   85.584   13.455 -11.63520 20.74559 
1 1 1   16   22   36 o  114.331   14.872  172.256   41.455   0.0000   0.0000  172.256   41.455  ?   ?   114.331   14.872 0.000000 14.87193 
1 1 1   16   22   37 o   99.593   34.669  153.592  105.722   0.0000   0.0000  153.592  105.722  ?   ?    99.593   34.669 0.000000 34.66903 
1 1 1   16   23    0 o  167.136   17.074  360.880   70.259  398.921   89.529  299.893  113.359  174.387   20.980  146.348   31.917 28.03966 38.19528 
1 1 1   16   23    1 o  357.126   27.409  1699.59  242.575  1699.59  242.575   0.0000   0.0000  357.126   27.409  ?   ?  0.000000 27.40941 
1 1 1   16   23    2 o  257.369   17.048  849.872  108.947  902.529  145.749  783.193  164.012  262.734   22.429  241.823   27.657 20.91106 35.60901 
1 1 1   16   23    3 o  334.230   14.239  1417.06  118.844  1375.77  141.313  1516.84  219.657  327.663   17.332  338.681   26.175 -11.01718 31.39330 
1 1 1   16   23    4 o  112.573   13.351  162.547   36.799  177.703   40.189   83.897   91.551  117.634   13.953   86.237   31.974 31.39758 34.88566 
1 1 1   16   23    5 o  338.023   14.659  1449.74  123.739  1506.54  148.234  1319.21  224.726  343.076   17.359  314.183   28.969 28.89279 33.77214 
1 1 1   16   23    6 o  427.740   16.676  2331.43  178.128  2268.43  214.956  2469.51  318.233  419.761   20.507  429.980   29.822 -10.21945 36.19234 
1 1 1   16   23    7 o  240.216   16.076  737.086   95.878  782.683  125.502  673.175  148.585  245.812   20.636  224.978   26.986 20.83490 33.97219 
1 1 1   16   23    8 o  342.328   14.801  1486.10  126.526  1524.03  151.805  1399.81  228.984  345.120   17.674  324.485   28.550 20.63461 33.57759 
1 1 1   16   23    9 f  224.873   12.606  640.377   70.504  669.097   82.542  562.886  135.584  229.368   14.485  205.610   27.064 23.75792 30.69689 
1 1 1   16   23   10 o  231.719   12.398  679.435   71.482  691.390   83.617  646.981  137.769  233.210   14.429  221.499   25.365 11.71130 29.18161 
1 1 1   16   23   11 o  270.172   12.845  921.695   86.661  926.137  102.635  910.662  161.753  269.782   15.298  263.514   24.875 6.267639 29.20256 
1 1 1   16   23   12 o  177.871   21.299  412.375   92.725  412.375   92.725   0.0000   0.0000  177.871   21.299  ?   ?  0.000000 21.29944 
1 1 1   16   23   13 o  176.358   12.158  393.997   53.216  408.077   61.162  350.126  107.963  179.137   13.778  161.376   27.794 17.76096 31.02142 
1 1 1   16   23   14 f  199.395   11.903  502.835   58.997  469.883   68.100  601.969  118.118  192.180   14.292  214.994   22.327 -22.81340 26.50935 
1 1 1   16   23   15 o  139.227   11.666  245.873   40.185  207.761   44.595  410.509   92.687  127.378   14.265  177.512   21.337 -50.13475 25.66572 
1 1 1   16   23   16 o  437.952   21.076  2464.95  230.501  2464.95  230.501   0.0000   0.0000  437.952   21.076  ?   ?  0.000000 21.07633 
1 1 1   16   23   17 o  125.751   11.954  201.042   37.086  183.819   40.809  282.700   88.861  119.803   13.899  145.568   25.367 -25.76460 28.92557 
1 1 1   16   23   18 o  304.316   13.211  1169.57  100.391  1113.59  119.704  1302.30  184.320  295.653   16.276  316.489   23.489 -20.83603 28.57734 
1 1 1   16   23   19 o  201.975   15.956  520.948   79.820  632.302  103.652  358.692  125.119  221.690   18.904  161.693   32.119 59.99724 37.26953 
1 1 1   16   23   20 o  151.760   11.677  291.835   43.912  275.941   49.322  352.605   96.443  147.162   13.574  163.277   24.402 -16.11546 27.92355 
1 1 1   16   23   21 o   92.244   14.480  110.215   32.257  103.777   35.464  141.053   77.619   88.993   16.568  101.996   29.064 -13.00386 33.45506 
1 1 1   16   23   22 o  197.806   12.028  495.092   59.129  539.729   69.627  379.628  111.983  206.191   13.599  168.216   27.617 37.97519 30.78360 
1 1 1   16   23   23 o  146.895   11.981  273.846   43.567  282.517   49.787  245.505   90.012  148.892   13.538  134.513   27.719 14.37897 30.84850 
1 1 1   16   23   24 o  344.040   14.543  1500.14  124.947  1612.11  151.554  1262.54  220.773  355.656   17.064  307.743   29.073 47.91342 33.71054 
1 1 1   16   23   25 o  202.256   22.799  536.267  113.141  536.267  113.141   0.0000   0.0000  202.256   22.799  ?   ?  0.000000 22.79869 
1 1 1   16   23   26 f  364.644   28.125  1771.07  254.127  1771.07  254.127   0.0000   0.0000  364.644   28.125  ?   ?  0.000000 28.12535 
1 1 1   16   23   27 o  139.209   12.447  246.964   42.813  231.282   49.405  294.248   85.790  134.058   15.016  148.390   23.969 -14.33170 28.28386 
1 1 1   16   23   28 o  184.863   11.861  433.834   54.466  466.418   65.156  358.244   99.240  191.181   13.739  163.209   25.158 27.97237 28.66529 
1 1 1   16   23   29 o  275.041   12.416  958.937   85.278  1050.86  104.448  775.128  147.695  286.737   14.636  240.825   24.920 45.91216 28.89981 
1 1 1   16   23   30 o  199.564   11.512  506.021   57.128  540.312   70.495  440.417   97.505  205.468   13.820  182.039   21.888 23.42863 25.88548 
1 1 1   16   23   31 o  206.196   11.465  540.803   58.803  557.942   73.495  510.315   98.024  208.436   14.205  196.502   20.267 11.93372 24.74949 
1 1 1   16   23   32 o   70.171   14.843   65.511   25.197   52.793   32.709   84.077   39.518   63.113   19.111   78.520   20.076 -15.40675 27.71771 
1 1 1   16   23   33 o  144.497   10.772  266.532   38.591  242.844   49.025  305.119   62.572  136.637   14.594  152.429   16.712 -15.79181 22.18762 
1 1 1   16   23   34 o  120.848   13.187  189.484   39.149  218.607   50.734  146.618   61.552  128.764   16.132  101.699   24.522 27.06482 29.35285 
1 1 1   16   23   35 o   70.335   13.866   65.884   23.488   57.041   25.797  108.758   56.803   64.905   16.015   87.283   24.861 -22.37774 29.57249 
1 1 1   16   23   36 o   54.585   24.287  -9.8100   66.623   0.0000   0.0000  -9.8100   66.623  ?   ?    54.585   24.287 0.000000 24.28717 
1 1 1   16   24    0 o   58.218   22.053   33.369   44.043   48.526   50.353 -15.9901   90.867   65.612   23.812   64.547   28.558 1.064674 37.18319 
1 1 1   16   24    1 o  319.283   19.158  1319.28  152.044  1546.33  207.981  1058.64  222.832  342.010   24.515  276.587   32.908 65.42215 41.03554 
1 1 1   16   24    2 o  152.421   21.683  307.207   80.203  307.207   80.203   0.0000   0.0000  152.421   21.683  ?   ?  0.000000 21.68266 
1 1 1   16   24    3 o   90.573   22.018  110.697   49.314  118.951   58.365   90.099   92.199   93.523   24.645   87.596   32.156 5.927094 40.51338 
1 1 1   16   24    4 o   57.966   21.858   33.189   43.146   31.807   49.670   37.437   87.092   59.909   23.233   73.827   30.055 -13.91802 37.98802 
1 1 1   16   24    5 o  226.733   12.553  651.980   70.796  678.719   82.103  574.462  139.795  230.818   14.315  206.632   27.797 24.18607 31.26655 
1 1 1   16   24    6 o  351.008   14.673  1564.60  128.616  1520.00  153.419  1670.06  235.921  344.127   17.915  354.911   26.817 -10.78354 32.25071 
1 1 1   16   24    7 o  174.990   12.347  388.717   53.607  403.931   60.750  335.192  113.947  178.047   13.770  156.164   30.313 21.88310 33.29376 
1 1 1   16   24    8 o  329.746   18.466  1396.92  151.440  1461.35  205.664  1320.60  223.824  333.536   24.871  314.333   28.836 19.20313 38.08014 
1 1 1   16   24    9 o  244.839   13.106  760.202   79.842  824.343   93.923  593.099  151.599  254.439   14.847  209.406   29.834 45.03372 33.32405 
1 1 1   16   24   10 o  175.245   12.394  389.670   53.887  417.550   61.658  299.510  110.879  181.114   13.735  147.324   31.114 33.79031 34.01117 
1 1 1   16   24   11 o  141.431   12.407  254.422   43.375  267.481   48.464  201.849   97.239  144.788   13.562  120.580   31.827 24.20851 34.59627 
1 1 1   16   24   12 o  170.855   11.568  369.628   49.066  352.937   55.390  430.451  105.739  166.528   13.434  180.570   24.048 -14.04166 27.54552 
1 1 1   16   24   13 o  134.392   22.671  239.427   73.377  239.427   73.377   0.0000   0.0000  134.392   22.671  ?   ?  0.000000 22.67114 
1 1 1   16   24   14 o   91.955   31.215  107.578   85.541   0.0000   0.0000  107.578   85.541  ?   ?    91.955   31.215 0.000000 31.21524 
1 1 1   16   24   15 o   77.541   16.348   79.250   30.658   79.250   30.658   0.0000   0.0000   77.541   16.348  ?   ?  0.000000 16.34815 
1 1 1   16   24   16 o  395.484   16.451  1989.84  162.468  2053.47  196.182  1850.94  289.859  400.186   19.631  371.250   31.565 28.93610 37.17194 
1 1 1   16   24   17 o  249.977   13.349  792.080   83.027  829.437   97.864  696.131  156.839  255.187   15.430  228.505   28.076 26.68214 32.03698 
1 1 1   16   24   18 o  326.576   13.733  1349.17  111.994  1308.49  133.505  1445.79  205.746  320.190   16.755  332.312   24.976 -12.12213 30.07565 
1 1 1   16   24   19 o  128.722   15.323  213.087   48.288  216.880   56.414  202.692   93.394  129.193   17.973  121.191   30.796 8.001686 35.65748 
1 1 1   16   24   20 o  118.495   12.609  179.203   36.736  158.406   40.151  286.117   91.035  110.833   14.883  146.083   25.903 -35.25019 29.87449 
1 1 1   16   24   21 o  108.298   13.852  150.742   36.604  155.081   40.128  129.245   89.316  109.595   15.061   98.726   31.840 10.86951 35.22202 
1 1 1   16   24   22 o  107.054   13.174  146.981   34.475  151.494   37.875  125.176   83.249  108.451   14.337   96.936   30.685 11.51440 33.86856 
1 1 1   16   24   23 o  145.170   12.834  268.334   46.045  306.067   52.707  146.743   94.615  154.898   13.770  104.098   32.682 50.79988 35.46400 
1 1 1   16   24   24 o  119.879   13.246  183.959   38.992  211.981   44.049   82.514   83.811  128.627   13.937   84.343   30.704 44.28401 33.71881 
1 1 1   16   24   25 o   81.486   26.913   85.178   63.636   85.178   63.636   0.0000   0.0000   81.486   26.913  ?   ?  0.000000 26.91296 
1 1 1   16   24   26 o  195.803   22.337  504.430  107.263  504.430  107.263   0.0000   0.0000  195.803   22.337  ?   ?  0.000000 22.33704 
1 1 1   16   24   27 o  110.971   14.004  158.825   37.942  170.879   42.441  110.845   84.675  114.862   15.168   91.950   31.058 22.91220 34.56343 
1 1 1   16   24   28 o  276.669   12.885  971.372   89.022  1036.46  107.545  829.694  158.663  284.522   15.191  248.598   25.940 35.92407 30.06092 
1 1 1   16   24   29 o  101.024   13.874  132.318   34.076  125.943   39.042  152.704   69.821   97.765   16.585  104.727   26.636 -6.962280 31.37702 
1 1 1   16   24   30 o  172.219   11.399  377.531   48.747  402.598   59.141  324.413   86.092  177.213   13.465  155.134   22.913 22.07922 26.57641 
1 1 1   16   24   31 o   89.422   13.486  104.283   29.178   86.687   35.695  139.713   50.652   80.134   18.246  101.399   20.704 -21.26525 27.59691 
1 1 1   16   24   32 o  147.890   12.768  281.321   46.691  280.215   64.748  282.518   67.395  145.448   18.227  145.716   18.971 -0.2681580 26.30792 
1 1 1   16   24   33 o  107.479   12.579  149.646   33.122  129.967   44.910  173.117   49.047   97.835   19.067  113.789   17.848 -15.95410 26.11715 
1 1 1   16   24   34 o  121.037   10.983  188.109   32.836  177.936   40.130  208.719   57.120  116.674   14.056  124.366   18.995 -7.691414 23.63001 
1 1 1   16   24   35 o  133.461   22.956  248.786   73.749   0.0000   0.0000  248.786   73.749  ?   ?   133.461   22.956 0.000000 22.95626 
1 1 1   16   24   36 o   70.925   27.444   58.212   69.183   0.0000   0.0000   58.212   69.183  ?   ?    70.925   27.444 0.000000 27.44387 
1 1 1   16   25    0 o   41.362   18.633 -18.0080   40.554 -15.0291   45.050 -30.7387   93.130   44.604   19.899   62.746   28.253 -18.14218 34.55790 
1 1 1   16   25    1 o  239.586   17.499  742.105  103.969  842.082  135.688  599.937  161.806  253.042   21.683  206.966   32.368 46.07582 38.95900 
1 1 1   16   25    2 o   88.454   22.434  106.218   49.627  122.801   58.125   61.623   95.320   94.737   24.416   80.927   31.948 13.81012 40.20995 
1 1 1   16   25    3 o  239.112   22.255  752.233  131.362  752.233  131.362   0.0000   0.0000  239.112   22.255  ?   ?  0.000000 22.25525 
1 1 1   16   25    4 o  181.666   16.846  425.945   75.554  475.187   95.477  343.451  123.579  190.579   20.378  156.110   32.745 34.46962 38.56837 
1 1 1   16   25    5 o  159.596   17.107  329.629   67.117  371.007   84.276  257.875  110.979  168.198   20.488  134.859   33.181 33.33861 38.99651 
1 1 1   16   25    6 o  117.665   13.784  177.957   39.734  205.164   43.335   34.326   99.568  126.402   13.962   76.706   31.776 49.69662 34.70783 
1 1 1   16   25    7 o  165.207   12.031  346.678   49.292  349.430   55.024  335.494  110.920  165.522   13.428  156.218   29.515 9.303909 32.42579 
1 1 1   16   25    8 o  168.693   11.982  361.252   50.146  369.171   56.187  330.251  111.172  170.214   13.325  154.930   29.817 15.28377 32.65905 
1 1 1   16   25    9 o  108.377   16.589  153.107   43.467  160.189   49.177  127.818   92.933  110.381   18.495   98.169   32.528 12.21225 37.41865 
1 1 1   16   25   10 o  125.319   12.629  200.501   38.985  218.035   42.641  111.210   96.225  130.594   13.259   94.042   33.056 36.55195 35.61612 
1 1 1   16   25   11 o  212.598   12.248  572.782   64.749  576.206   74.442  562.141  131.227  212.731   14.093  205.368   26.184 7.362167 29.73575 
1 1 1   16   25   12 o   87.014   14.340   98.440   30.073   99.505   32.122   90.880   85.576   87.276   15.296   86.947   31.109 0.3287659 34.66581 
1 1 1   16   25   13 o   66.398   28.172   10.570   81.177   0.0000   0.0000   10.570   81.177  ?   ?    66.398   28.172 0.000000 28.17209 
1 1 1   16   25   14 o  158.841   21.242  330.869   82.148  330.869   82.148   0.0000   0.0000  158.841   21.242  ?   ?  0.000000 21.24237 
1 1 1   16   25   15 o  334.303   14.024  1416.02  117.073  1373.71  139.176  1518.42  216.500  327.712   17.066  339.561   25.723 -11.84882 30.86955 
1 1 1   16   25   16 o  246.378   12.590  768.831   77.200  767.560   90.023  772.363  150.078  245.529   14.751  241.912   25.214 3.617157 29.21175 
1 1 1   16   25   17 o  155.299   12.681  306.691   48.747  342.572   54.848  171.782  106.354  163.994   13.513  111.713   34.581 52.28104 37.12761 
1 1 1   16   25   18 o  469.275   18.575  2820.27  217.669  2905.26  263.858  2639.20  385.113  473.678   22.307  438.641   35.462 35.03693 41.89413 
1 1 1   16   25   19 o  130.774   12.113  217.652   39.108  189.768   42.427  375.261  100.870  121.573   14.245  168.006   24.787 -46.43290 28.58909 
1 1 1   16   25   20 o  266.330   15.148  903.690  100.328  760.529  129.421  1119.27  158.818  241.699   21.673  293.464   21.828 -51.76480 30.75997 
1 1 1   16   25   21 o  153.249   12.280  298.442   46.599  310.036   52.131  252.342  103.947  155.932   13.522  134.734   31.465 21.19899 34.24728 
1 1 1   16   25   22 o  153.699   11.357  299.500   43.283  258.445   47.652  493.078  103.473  142.233   13.581  194.115   21.718 -51.88213 25.61520 
1 1 1   16   25   23 o   86.242   15.080   97.167   31.295   97.264   33.748   96.570   83.609   86.004   16.310   88.093   30.822 -2.089287 34.87119 
1 1 1   16   25   24 o  166.635   11.864  352.471   49.047  368.259   56.011  300.564  101.563  169.992   13.301  148.146   28.488 21.84576 31.43991 
1 1 1   16   25   25 o  240.349   22.590  759.137  133.996  759.137  133.996   0.0000   0.0000  240.349   22.590  ?   ?  0.000000 22.59044 
1 1 1   16   25   26 o  139.599   23.532  261.700   79.116  261.700   79.116   0.0000   0.0000  139.599   23.532  ?   ?  0.000000 23.53185 
1 1 1   16   25   27 o   97.108   14.480  122.659   34.040  125.508   37.680  110.013   79.384   97.850   15.972   90.773   30.063 7.076767 34.04227 
1 1 1   16   25   28 o  240.566   12.253  736.105   73.366  772.084   87.233  649.151  135.613  245.589   14.286  219.477   25.200 26.11139 28.96804 
1 1 1   16   25   29 o  168.391   11.975  361.706   50.028  416.257   58.966  221.569   94.511  180.307   13.188  124.301   30.643 56.00593 33.35995 
1 1 1   16   25   30 o   81.218   15.287   87.359   29.866  104.199   34.303   34.605   60.716   88.652   16.088   63.764   25.395 24.88746 30.06170 
1 1 1   16   25   31 o  178.026   13.366  407.689   58.986  375.366   79.831  446.555   87.538  168.106   19.371  183.496   19.398 -15.38988 27.41385 
1 1 1   16   25   32 o  113.092   13.074  165.859   36.242  149.367   49.193  185.437   53.598  104.941   19.489  117.455   18.916 -12.51360 27.15959 
1 1 1   16   25   33 o  101.898   11.184  133.830   27.991  153.811   35.315  100.067   45.907  108.662   13.292   84.699   21.629 23.96336 25.38636 
1 1 1   16   25   34 o   49.251   14.089   32.178   18.203   33.338   21.021   28.702   36.391   50.366   15.336   52.662   20.022 -2.295647 25.22088 
1 1 1   16   25   35 o   63.900   23.879   48.055   51.263   0.0000   0.0000   48.055   51.263  ?   ?    63.900   23.879 0.000000 23.87936 
1 1 1   16   26    0 o  229.701   28.962  732.116  162.432   0.0000   0.0000  732.116  162.432  ?   ?   229.701   28.962 0.000000 28.96153 
1 1 1   16   26    1 o   98.365   21.662  131.630   51.772  113.067   58.860  195.070  108.815   90.507   25.143  115.709   34.817 -25.20166 42.94637 
1 1 1   16   26    2 o  143.191   18.042  268.651   63.083  287.247   75.166  224.354  116.012  146.925   21.092  123.765   35.617 23.16036 41.39381 
1 1 1   16   26    3 o  229.920   17.293  683.897   98.563  770.087  127.901  557.871  154.658  241.880   21.396  199.250   32.180 42.62944 38.64338 
1 1 1   16   26    4 o  123.989   23.005  207.538   68.605  207.538   68.605   0.0000   0.0000  123.989   23.005  ?   ?  0.000000 23.00479 
1 1 1   16   26    5 o   57.323   21.726   32.295   42.762   34.897   47.758   21.774   96.038   60.025   22.910   72.854   30.762 -12.82939 38.35558 
1 1 1   16   26    6 o   95.350   20.826  122.342   48.200   73.143   55.425  275.005   97.634   75.612   25.124  140.928   28.717 -65.31613 38.15614 
1 1 1   16   26    7 f  295.946   13.289  1111.26   98.211  1086.54  114.671  1179.32  190.252  291.270   15.825  297.427   25.873 -6.157257 30.32876 
1 1 1   16   26    8 o  264.834   13.390  891.942   88.267  917.908  102.936  819.811  171.562  267.870   15.454  246.216   28.426 21.65407 32.35493 
1 1 1   16   26    9 o  100.662   14.367  131.247   35.089  156.689   37.681 -34.8023   96.265  110.243   14.003   63.694   28.699 46.54918 31.93281 
1 1 1   16   26   10 o  403.102   21.112  2111.78  211.783  2178.04  290.386  2036.49  309.545  402.424   29.092  385.761   32.434 16.66287 43.56993 
1 1 1   16   26   11 o  192.456   12.521  470.510   59.850  520.563   68.053  299.619  125.746  202.184   13.557  144.921   35.115 57.26324 37.64148 
1 1 1   16   26   12 o  128.055   16.291  212.392   50.914  229.484   58.871  161.672  101.415  132.602   18.263  108.170   33.815 24.43108 38.43217 
1 1 1   16   26   13 o  104.910   13.650  141.757   34.913  147.607   37.450  102.917   96.497  106.909   14.394   91.761   33.013 15.14803 36.01395 
1 1 1   16   26   14 o  264.207   12.906  883.427   85.152  936.656   98.842  730.206  167.697  271.153   14.652  232.224   29.590 38.92889 33.01910 
1 1 1   16   26   15 o  269.215   23.171  950.209  154.254  950.209  154.254   0.0000   0.0000  269.215   23.171  ?   ?  0.000000 23.17077 
1 1 1   16   26   16 o  129.089   12.117  212.304   38.604  215.932   41.883  191.821   99.516  129.986   13.081  117.073   32.753 12.91321 35.26884 
1 1 1   16   26   17 o  204.673   12.452  531.439   63.341  561.557   72.631  435.777  129.441  210.003   13.929  178.503   30.110 31.50102 33.17574 
1 1 1   16   26   18 o  352.093   15.220  1576.72  133.824  1614.22  159.883  1488.98  244.567  354.481   18.122  332.642   29.756 21.83884 34.84052 
1 1 1   16   26   19 f  206.219   12.274  539.282   62.922  544.200   71.587  522.575  131.945  206.700   13.951  197.066   27.566 9.633865 30.89544 
1 1 1   16   26   20 o  134.303   15.826  232.787   52.058  249.299   59.951  182.169  104.962  138.490   17.743  114.133   34.162 24.35670 38.49459 
1 1 1   16   26   21 o  205.626   11.420  535.263   58.411  490.690   65.751  702.147  127.224  196.313   13.494  231.460   22.287 -35.14719 26.05349 
1 1 1   16   26   22 o  163.074   11.872  337.750   48.016  339.003   53.341  332.394  110.240  163.051   13.214  155.401   29.486 7.649811 32.31176 
1 1 1   16   26   23 o  104.497   13.250  140.552   33.799  125.605   36.190  242.564   94.546   98.208   15.251  132.163   29.406 -33.95437 33.12551 
1 1 1   16   26   24 o   98.765   13.888  126.242   33.306  120.604   35.942  160.511   88.609   96.086   15.507  107.176   31.210 -11.08968 34.85054 
1 1 1   16   26   25 o  137.763   12.367  242.331   42.092  260.205   46.632  163.722   97.793  142.565   13.250  107.888   33.121 34.67722 35.67304 
1 1 1   16   26   26 o  234.936   22.117  729.430  128.231  729.430  128.231   0.0000   0.0000  234.936   22.117  ?   ?  0.000000 22.11745 
1 1 1   16   26   27 o   60.752   17.591   48.760   28.221   47.357   30.157   58.645   80.048   60.222   18.376   75.989   29.488 -15.76735 34.74481 
1 1 1   16   26   28 o  207.684   12.049  549.627   62.220  614.322   72.875  375.631  119.512  219.099   13.384  162.724   30.532 56.37457 33.33678 
1 1 1   16   26   29 o  271.294   12.905  938.737   87.430  1046.68  104.763  691.045  158.696  285.197   14.761  221.964   29.351 63.23247 32.85322 
1 1 1   16   26   30 f  171.613   11.462  376.062   48.837  421.454   57.222  254.315   93.713  181.264   12.722  133.044   29.023 48.21970 31.68924 
1 1 1   16   26   31 o  119.602   13.923  186.117   40.804  163.190   51.906  223.205   66.017  109.740   19.663  127.921   21.424 -18.18111 29.07961 
1 1 1   16   26   32 o  106.277   11.207  145.451   29.294  144.805   35.475  146.835   51.935  105.218   13.837  103.223   20.866 1.995224 25.03698 
1 1 1   16   26   33 o  250.381   11.269  800.580   70.457  792.979   86.634  815.428  121.084  247.289   14.087  246.365   19.850 0.9235992 24.34073 
1 1 1   16   26   34 o  144.016   18.907  280.373   66.354   0.0000   0.0000  280.373   66.354  ?   ?   144.016   18.907 0.000000 18.90721 
1 1 1   16   27    0 o   93.152   22.151  120.009   50.774  147.048   57.348   21.939  109.219  103.016   22.887   74.891   32.247 28.12556 39.54338 
1 1 1   16   27    1 o   92.143   34.962  106.391  110.815   0.0000   0.0000  106.391  110.815  ?   ?    92.143   34.962 0.000000 34.96204 
1 1 1   16   27    2 o  187.512   17.816  459.938   82.423  559.899  102.210  274.057  139.378  205.786   20.148  133.405   39.228 72.38080 44.09958 
1 1 1   16   27    3 o  296.852   19.066  1151.68  140.585  1331.69  187.794  922.187  212.040  315.245   24.036  253.254   34.420 61.99185 41.98193 
1 1 1   16   27    4 o   99.895   21.231  135.343   51.330  143.831   59.205  109.652  103.002  102.279   23.652   92.869   34.003 9.410835 41.42007 
1 1 1   16   27    5 o  139.890   19.322  258.385   65.697  334.992   76.982   53.029  126.040  159.390   19.765   85.707   35.648 73.68291 40.76095 
1 1 1   16   27    6 o   76.581   22.534   78.765   45.977   95.322   51.509   13.878  101.973   83.702   23.616   72.888   31.267 10.81389 39.18325 
1 1 1   16   27    7 o   72.154   22.682   68.314   45.556   89.176   51.890  -1.8335   95.149   81.280   23.945   68.146   29.715 13.13396 38.16218 
1 1 1   16   27    8 o  101.365   20.954  138.279   51.289  142.119   59.268  126.830  102.343  102.000   23.718   97.883   34.108 4.117348 41.54398 
1 1 1   16   27    9 o   96.445   14.871  121.191   34.664  139.863   36.968 -14.7570   99.749  103.806   14.670   67.708   29.941 36.09818 33.34155 
1 1 1   16   27   10 o  236.934   13.496  715.185   79.521  776.635   92.235  537.248  156.954  246.339   15.066  195.488   33.348 50.85068 36.59341 
1 1 1   16   27   11 o  223.409   16.666  642.505   92.311  723.702  117.762  513.095  148.668  235.557   20.216  191.826   32.175 43.73134 37.99863 
1 1 1   16   27   12 o  152.804   12.672  297.746   47.918  307.526   52.791  251.992  114.186  155.020   13.781  132.691   34.233 22.32841 36.90297 
1 1 1   16   27   13 o  145.040   13.783  269.428   49.320  269.428   49.320   0.0000   0.0000  145.040   13.783  ?   ?  0.000000 13.78279 
1 1 1   16   27   14 o  231.920   12.703  683.192   73.289  721.680   84.280  563.812  148.432  237.865   14.254  202.722   30.246 35.14328 33.43682 
1 1 1   16   27   15 o  211.062   12.580  565.918   66.004  586.833   74.560  490.154  141.908  214.508   13.996  188.267   31.282 26.24080 34.27025 
1 1 1   16   27   16 o  223.588   21.523  654.862  118.685  654.862  118.685   0.0000   0.0000  223.588   21.523  ?   ?  0.000000 21.52253 
1 1 1   16   27   17 o   67.342   16.326   60.206   27.169   62.467   28.373   35.260   94.247   68.559   16.722   75.278   31.025 -6.718941 35.24495 
1 1 1   16   27   18 o   71.401   16.263   67.638   28.349   74.516   29.764   0.4118   93.057   74.979   16.357   68.252   29.575 6.726639 33.79722 
1 1 1   16   27   19 o  146.183   12.590  272.505   45.510  290.626   49.830  181.366  111.751  150.801   13.371  113.498   35.499 37.30385 37.93404 
1 1 1   16   27   20 o  211.500   12.040  567.627   63.327  531.988   71.434  698.442  136.859  204.121   14.101  229.395   24.259 -25.27463 28.05963 
1 1 1   16   27   21 o  161.181   15.197  334.048   60.444  322.404   70.546  366.198  117.219  157.308   18.301  162.609   29.971 -5.300934 35.11700 
1 1 1   16   27   22 o  174.627   11.669  387.353   50.594  353.824   55.754  543.746  120.413  166.367   13.538  201.826   24.386 -35.45847 27.89179 
1 1 1   16   27   23 o   70.054   15.850   65.186   27.080   62.252   28.315   96.619   92.688   68.346   16.726   88.755   32.292 -20.40977 36.36706 
1 1 1   16   27   24 o   57.383   16.622   43.240   25.193   42.746   26.261   48.950   89.276   57.231   17.078   76.271   30.650 -19.03961 35.08633 
1 1 1   16   27   25 o  220.033   12.569  616.878   68.774  725.258   79.971  309.058  134.773  238.281   13.495  144.120   37.196 94.16043 39.56866 
1 1 1   16   27   26 o  229.216   21.618  696.738  122.281  696.738  122.281   0.0000   0.0000  229.216   21.618  ?   ?  0.000000 21.61835 
1 1 1   16   27   27 o  173.465   12.067  384.242   51.947  443.340   58.527  164.869  112.761  186.182   12.664  106.867   35.841 79.31474 38.01278 
1 1 1   16   27   28 o  289.323   13.677  1071.22   98.815  1206.87  117.451  742.565  182.816  305.732   15.434  226.332   33.345 79.40047 36.74345 
1 1 1   16   27   29 o  171.735   11.969  377.507   51.007  416.846   58.013  243.523  107.064  180.118   12.985  127.544   33.268 52.57447 35.71215 
1 1 1   16   27   30 o  134.758   14.740  236.839   48.793  231.037   60.254  247.891   83.161  131.322   18.920  132.361   26.087 -1.039566 32.22584 
1 1 1   16   27   31 o   59.780   15.221   48.084   22.783   52.791   25.040   25.451   54.910   62.525   15.978   58.531   23.850 3.994656 28.70751 
1 1 1   16   27   32 o  150.696   10.496  290.495   39.252  300.371   46.903  267.409   71.711  152.529   12.422  139.575   21.245 12.95395 24.60979 
1 1 1   16   27   33 o  127.069   18.700  218.752   57.563   0.0000   0.0000  218.752   57.563  ?   ?   127.069   18.700 0.000000 18.69974 
1 1 1   16   28    0 o   64.676   22.098   54.081   42.874   62.433   46.418   5.5629  111.877   68.609   22.996   71.744   31.718 -3.134193 39.17705 
1 1 1   16   28    1 o   89.162   22.219  110.994   49.292  114.951   54.974   94.766  111.329   90.235   23.985   88.159   34.615 2.075790 42.11265 
1 1 1   16   28    2 o  213.910   31.062  660.900  161.074   0.0000   0.0000  660.900  161.074  ?   ?   213.910   31.062 0.000000 31.06208 
1 1 1   16   28    3 o  191.440   18.012  481.995   85.094  610.049  105.892  248.556  142.973  214.324   20.017  125.474   40.265 88.85010 44.96602 
1 1 1   16   28    4 o  183.742   17.800  442.793   80.651  546.185   99.517  244.942  137.665  203.076   19.879  125.652   39.417 77.42403 44.14637 
1 1 1   16   28    5 f   67.880   22.427   59.531   44.187   50.125   48.983  100.629  102.393   65.236   23.515   89.935   33.721 -24.69913 41.11016 
1 1 1   16   28    6 o   43.735   19.024  -3.7966   38.796 -22.8529   41.885  111.275  102.926   40.948   18.640   92.848   33.991 -51.90012 38.76670 
1 1 1   16   28    7 o   74.493   23.837   73.372   50.134   73.372   50.134   0.0000   0.0000   74.493   23.837  ?   ?  0.000000 23.83679 
1 1 1   16   28    8 o  218.373   16.683  617.288   90.286  616.763  114.102  618.167  147.656  215.831   21.455  211.535   28.693 4.295654 35.82724 
1 1 1   16   28    9 o  168.542   16.825  368.918   69.869  364.848   84.681  377.596  123.659  165.908   20.903  163.245   31.475 2.662170 37.78425 
1 1 1   16   28   10 o  112.638   13.289  163.490   36.658  150.211   38.918  268.002  109.180  107.470   14.902  136.636   32.476 -29.16586 35.73211 
1 1 1   16   28   11 o  101.005   21.537  138.072   52.662  142.539   60.891  124.815  104.902  101.860   24.282   97.340   34.483 4.520142 42.17475 
1 1 1   16   28   12 o  116.860   18.788  180.586   52.968  180.586   52.968   0.0000   0.0000  116.860   18.788  ?   ?  0.000000 18.78762 
1 1 1   16   28   13 o  114.359   13.008  168.101   36.487  173.707   38.917  127.376  104.890  116.101   13.686   98.169   34.512 17.93188 37.12667 
1 1 1   16   28   14 o   98.590   13.466  125.709   32.287  116.895   34.007  206.278  102.819   94.651   14.879  119.994   33.194 -25.34332 36.37622 
1 1 1   16   28   15 o   85.369   14.806   95.468   30.419   93.286   31.891  117.479  101.290   84.129   15.759   95.341   33.873 -11.21196 37.35944 
1 1 1   16   28   16 o  233.516   14.118  696.645   81.941  696.645   81.941   0.0000   0.0000  233.516   14.118  ?   ?  0.000000 14.11827 
1 1 1   16   28   17 o  157.210   12.580  315.326   48.975  331.925   53.742  234.022  118.941  161.068   13.486  126.852   35.920 34.21622 38.36831 
1 1 1   16   28   18 o  198.758   12.247  502.431   60.489  513.330   67.714  459.379  134.583  200.485   13.606  181.599   30.777 18.88602 33.64994 
1 1 1   16   28   19 o  183.338   12.068  427.606   54.942  418.757   60.845  466.691  127.872  180.984   13.561  184.173   28.742 -3.188324 31.78088 
1 1 1   16   28   20 o  163.472   11.865  340.180   48.105  316.730   52.426  465.092  120.997  157.265   13.480  184.699   27.034 -27.43382 30.20831 
1 1 1   16   28   21 o  183.362   11.912  427.772   54.249  395.872   59.852  574.598  128.406  175.818   13.741  206.374   25.456 -30.55553 28.92778 
1 1 1   16   28   22 o  168.747   11.588  362.358   48.537  373.764   53.127  304.779  119.367  171.130   12.519  145.167   33.594 25.96295 35.85043 
1 1 1   16   28   23 f   72.259   15.372   69.334   26.885   62.689   27.883  157.221  101.402   68.485   16.499  105.201   33.925 -36.71600 37.72476 
1 1 1   16   28   24 o  150.356   11.722  288.515   43.665  295.545   47.517  250.353  110.709  151.923   12.640  130.667   33.707 21.25571 35.99850 
1 1 1   16   28   25 o  137.434   11.620  241.427   39.506  237.290   42.715  265.894  103.889  135.929   12.732  135.618   31.310 0.3109436 33.80003 
1 1 1   16   28   26 o  181.597   20.017  437.825   89.264  437.825   89.264   0.0000   0.0000  181.597   20.017  ?   ?  0.000000 20.01657 
1 1 1   16   28   27 o  123.283   12.351  195.628   37.512  204.410   40.318  139.041  102.341  125.840   13.018   98.810   34.126 27.02994 36.52504 
1 1 1   16   28   28 o   96.267   13.481  120.953   31.520  127.815   33.532   68.874   92.379   98.856   13.973   79.785   31.466 19.07047 34.42905 
1 1 1   16   28   29 o   69.656   15.284   65.113   25.856   67.584   27.386   44.838   78.452   70.850   15.873   70.699   28.619 0.1509247 32.72555 
1 1 1   16   28   30 o   55.483   18.483   39.284   29.990   50.948   33.280 -11.0993   69.168   61.825   19.378   55.620   24.747 6.204494 31.43164 
1 1 1   16   28   31 o   59.345   14.805   47.478   21.868   57.304   23.317 -24.2968   63.020   65.257   14.666   50.540   22.952 14.71643 27.23721 
1 1 1   16   28   32 o  114.326   11.064  168.560   31.193  192.056   35.857   95.453   63.250  121.793   11.943   81.754   26.823 40.03892 29.36170 
1 1 1   16   28   33 o   82.970   19.960   96.381   40.852   0.0000   0.0000   96.381   40.852  ?   ?    82.970   19.960 0.000000 19.95983 
1 1 1   16   29    0 f   47.557   19.523   14.583   37.135   7.2951   39.205   78.185  115.815   46.267   19.602   82.757   34.275 -36.49007 39.48456 
1 1 1   16   29    1 o   55.991   21.047   34.802   39.939   61.562   42.852 -142.2015  110.207   67.394   22.076   53.884   26.152 13.50985 34.22415 
1 1 1   16   29    2 o  121.101   19.755  200.186   57.680  241.654   65.717   61.074  120.367  132.895   20.459   81.997   34.520 50.89800 40.12762 
1 1 1   16   29    3 o   72.035   31.509   14.036  107.736   0.0000   0.0000   14.036  107.736  ?   ?    72.035   31.509 0.000000 31.50935 
1 1 1   16   29    4 o  102.749   20.564  144.926   50.922  144.873   57.102  145.133  112.542  101.706   23.020   99.603   35.671 2.103058 42.45357 
1 1 1   16   29    5 o  152.150   18.276  307.319   68.048  348.710   79.975  198.749  129.524  161.105   20.332  113.259   38.411 47.84650 43.46009 
1 1 1   16   29    6 o   52.239   20.826   21.542   40.875   16.639   44.309   49.553  105.901   52.152   21.358   78.877   32.731 -26.72499 39.08266 
1 1 1   16   29    7 o  214.628   18.496  606.019   98.163  807.903  125.118  282.786  158.316  246.629   20.501  132.481   42.355 114.1475 47.05603 
1 1 1   16   29    8 o  217.972   21.608  634.771  116.066  634.771  116.066   0.0000   0.0000  217.972   21.608  ?   ?  0.000000 21.60805 
1 1 1   16   29    9 o   67.755   22.117   59.730   43.025   56.393   47.245   75.950  104.154   67.165   23.187   84.585   33.395 -17.41999 40.65550 
1 1 1   16   29   10 o   81.872   32.951   63.045  103.356   0.0000   0.0000   63.045  103.356  ?   ?    81.872   32.951 0.000000 32.95087 
1 1 1   16   29   11 o  155.979   13.201  312.234   50.937  312.234   50.937   0.0000   0.0000  155.979   13.201  ?   ?  0.000000 13.20113 
1 1 1   16   29   12 o   61.260   16.877   49.963   26.643   49.621   27.562   54.824  104.012   61.116   17.286   80.588   32.830 -19.47184 37.10318 
1 1 1   16   29   13 o   86.408   19.016  100.613   39.920  122.071   43.094 -29.1443  105.973   95.452   18.748   66.958   30.146 28.49418 35.49999 
1 1 1   16   29   14 o  155.356   12.251  308.347   47.141  308.488   51.182  307.555  121.049  155.066   13.347  145.182   33.988 9.884323 36.51529 
1 1 1   16   29   15 o   63.488   16.108   53.772   25.578   44.715   26.394  193.481  103.664   58.285   17.051  115.383   33.803 -57.09860 37.86010 
1 1 1   16   29   16 o  281.359   13.473  1008.83   94.661  995.478  109.437  1048.49  188.642  278.015   15.829  276.980   27.643 1.034912 31.85378 
1 1 1   16   29   17 o   74.390   23.123   73.687   47.495   73.687   47.495   0.0000   0.0000   74.390   23.123  ?   ?  0.000000 23.12262 
1 1 1   16   29   18 o  185.728   12.206  439.848   56.297  450.413   62.240  392.322  132.011  187.567   13.376  165.015   33.186 22.55197 35.78013 
1 1 1   16   29   19 o   86.893   14.489   98.967   30.333  103.836   31.652   44.190  106.170   88.978   14.763   79.112   32.796 9.865814 35.96534 
1 1 1   16   29   20 o  122.482   12.450  192.613   37.551  196.165   39.910  165.199  110.869  123.425   13.151  107.246   35.528 16.17896 37.88425 
1 1 1   16   29   21 o  346.745   15.445  1544.96  133.732  1604.37  158.305  1396.90  249.913  351.077   18.119  313.996   32.335 37.08121 37.06511 
1 1 1   16   29   22 o  161.325   15.947  338.289   63.404  351.303   73.449  300.230  125.604  163.430   18.312  141.656   35.561 21.77364 39.99857 
1 1 1   16   29   23 o  192.051   11.923  470.784   56.897  477.350   62.861  441.017  133.837  192.949   13.124  174.943   31.807 18.00578 34.40870 
1 1 1   16   29   24 o  182.302   12.332  425.375   55.812  470.658   61.790  224.727  130.067  191.546   12.995  120.810   38.366 70.73606 40.50729 
1 1 1   16   29   25 o  113.103   11.919  164.650   33.157  147.541   34.874  325.742  107.008  106.573   13.400  150.564   29.516 -43.99072 32.41516 
1 1 1   16   29   26 o  160.198   12.269  329.473   48.706  348.699   52.970  224.266  123.910  164.560   12.996  119.928   37.360 44.63201 39.55544 
1 1 1   16   29   27 o   83.275   14.315   91.682   28.695  104.335   29.806 -68.6116  106.088   89.108   13.844   60.693   28.342 28.41462 31.54292 
1 1 1   16   29   28 o   92.498   13.204  111.975   29.635  118.542   31.136   48.775   96.594   95.131   13.484   75.623   31.310 19.50766 34.09019 
1 1 1   16   29   29 f  115.756   12.144  173.469   34.582  184.326   37.159  103.248   94.506  119.171   12.681   87.043   32.443 32.12869 34.83368 
1 1 1   16   29   30 o   61.052   19.137   50.004   32.456   69.374   35.540 -47.2789   79.649   70.810   19.486   53.515   24.845 17.29525 31.57506 
1 1 1   16   29   31 o  137.781   11.320  244.699   38.603  256.512   43.211  197.997   85.916  140.642   12.431  113.913   29.845 26.72945 32.33046 
1 1 1   16   29   32 o   79.896   26.114   91.817   59.970   0.0000   0.0000   91.817   59.970  ?   ?    79.896   26.114 0.000000 26.11368 
1 1 1   16   30    0 o  175.479   20.920  433.613   89.863  433.613   89.863   0.0000   0.0000  175.479   20.920  ?   ?  0.000000 20.91955 
1 1 1   16   30    1 o  155.074   17.805  327.049   67.699  343.099   77.714  276.534  137.867  157.028   20.293  122.626   39.559 34.40199 44.46056 
1 1 1   16   30    2 o   63.446   21.545   53.916   40.752   52.712   43.338   63.113  119.753   63.352   22.189   80.032   34.095 -16.68038 40.67937 
1 1 1   16   30    3 o   67.295   21.572   62.242   41.045   53.624   43.956  120.914  114.690   64.065   22.352   91.156   35.318 -27.09137 41.79628 
1 1 1   16   30    4 o   85.025   34.529   87.093  114.604   0.0000   0.0000   87.093  114.604  ?   ?    85.025   34.529 0.000000 34.52940 
1 1 1   16   30    5 o  130.942   18.535  231.413   58.913  242.050   67.051  195.400  123.377  132.661   20.934  109.918   37.488 22.74314 42.93677 
1 1 1   16   30    6 o  164.721   17.038  359.379   69.071  351.878   80.816  379.704  133.039  160.929   20.581  156.198   34.978 4.731384 40.58379 
1 1 1   16   30    7 o  178.544   18.920  425.802   83.071  624.993  102.662   48.045  141.378  216.418   19.195   84.598   36.556 131.8198 41.28962 
1 1 1   16   30    8 o   68.940   21.712   64.050   41.723   48.309   45.012  160.095  111.188   63.032   22.560  103.282   35.577 -40.24964 42.12681 
1 1 1   16   30   10 o  138.238   20.641  258.118   69.072  258.118   69.072   0.0000   0.0000  138.238   20.641  ?   ?  0.000000 20.64123 
1 1 1   16   30   11 o   55.094   20.591   32.353   38.117   31.526   40.927   37.763  104.684   55.770   21.227   76.386   32.177 -20.61529 38.54811 
1 1 1   16   30   12 o  146.524   12.609  275.943   45.685  289.511   49.095  188.312  124.768  149.887   13.253  111.680   37.700 38.20728 39.96175 
1 1 1   16   30   13 o  129.187   12.639  214.861   40.251  219.472   42.885  180.738  116.660  130.351   13.364  110.029   36.444 20.32208 38.81693 
1 1 1   16   30   14 o  226.151   15.523  662.308   87.134  573.165  105.133  857.889  155.725  207.526   20.557  250.547   25.233 -43.02113 32.54699 
1 1 1   16   30   15 o  138.877   12.725  247.992   43.641  273.083   46.819   81.772  120.507  145.695   13.005   88.386   35.577 57.30905 37.87991 
1 1 1   16   30   16 o  261.334   13.223  874.852   86.012  870.581   98.264  888.849  177.870  259.633   15.223  252.054   28.775 7.578339 32.55328 
1 1 1   16   30   17 o  144.383   12.423  267.528   44.354  268.990   47.734  258.290  120.007  144.470   13.383  130.537   35.759 13.93344 38.18173 
1 1 1   16   30   18 o  155.079   20.009  320.852   75.680  320.852   75.680   0.0000   0.0000  155.079   20.009  ?   ?  0.000000 20.00914 
1 1 1   16   30   19 o  101.747   17.218  137.752   42.187  145.074   45.716   95.746  109.495  104.108   18.250   89.308   34.535 14.80035 39.06017 
1 1 1   16   30   20 o  188.232   12.292  453.534   57.463  463.340   63.370  408.175  136.296  189.806   13.457  165.847   34.050 23.95880 36.61287 
1 1 1   16   30   21 o  133.783   12.323  230.124   40.707  239.111   43.408  164.568  117.237  136.200   12.917  105.652   36.523 30.54829 38.74037 
1 1 1   16   30   22 o  141.385   12.137  256.745   42.435  267.520   45.368  181.378  119.986  144.142   12.735  109.534   36.971 34.60777 39.10240 
1 1 1   16   30   23 o   74.588   18.075   75.647   33.314   66.926   35.000  159.725  108.675   70.096   19.357  103.697   35.184 -33.60065 40.15723 
1 1 1   16   30   24 o   33.930   13.663   7.2301   17.781   7.9928   18.055 -17.2647  102.320   34.506   13.813   66.220   29.734 -31.71457 32.78589 
1 1 1   16   30   25 o   66.934   14.690   60.027   23.880   62.374   24.501   15.500  106.717   68.226   14.806   72.262   31.491 -4.035500 34.79765 
1 1 1   16   30   26 o  121.622   12.285  191.275   36.798  204.419   38.691   66.740  119.099  125.696   12.492   83.334   34.656 42.36275 36.83881 
1 1 1   16   30   27 o  185.929   19.120  464.181   87.507  464.181   87.507   0.0000   0.0000  185.929   19.120  ?   ?  0.000000 19.11953 
1 1 1   16   30   28 o  118.428   11.857  181.491   34.594  181.161   36.559  184.311  106.947  118.057   12.596  107.761   34.850 10.29565 37.05623 
1 1 1   16   30   29 o  131.480   11.698  223.431   38.006  226.141   40.672  204.773  106.735  131.972   12.490  112.736   34.601 19.23639 36.78618 
1 1 1   16   30   30 o  116.538   12.137  176.596   34.803  196.678   37.544   53.941   92.787  122.944   12.398   74.252   30.710 48.69111 33.11842 
1 1 1   16   30   31 o   54.529   18.345   38.472   29.541   36.930   32.220   46.603   73.999   54.403   19.128   68.277   27.739 -13.87365 33.69473 
1 1 1   16   30   32 o  110.341   27.764  185.281   76.437   0.0000   0.0000  185.281   76.437  ?   ?   110.341   27.764 0.000000 27.76372 
1 1 1   16   31    0 o   37.502   16.796  -8.0075   32.426  -3.1289   33.718 -68.0169  118.257   39.543   17.451   59.410   28.383 -19.86752 33.31826 
1 1 1   16   31    1 o   90.720   22.559  123.014   50.891  123.014   50.891   0.0000   0.0000   90.720   22.559  ?   ?  0.000000 22.55887 
1 1 1   16   31    2 o  196.957   19.300  539.708   93.705  708.820  114.916  204.153  161.874  224.124   20.769  101.743   41.136 122.3808 46.08108 
1 1 1   16   31    3 o   85.761   21.650  106.938   46.371  131.392   50.186 -35.8375  121.266   95.279   21.592   65.424   30.468 29.85517 37.34301 
1 1 1   16   31    4 o  119.665   19.563  199.390   56.439  237.302   62.899   42.735  127.858  130.494   19.934   77.298   34.054 53.19601 39.45961 
1 1 1   16   31    5 o   82.232   21.503   96.872   44.657   74.717   48.371  224.761  116.213   72.614   23.433  114.721   36.248 -42.10738 43.16238 
1 1 1   16   31    6 o  116.178   20.124  187.363   56.267  227.327   63.549   42.337  121.059  127.923   20.592   77.398   33.636 50.52533 39.43853 
1 1 1   16   31    7 o   78.388   21.397   86.903   43.058   88.776   46.561   75.843  113.151   78.977   22.513   82.272   33.961 -3.295052 40.74503 
1 1 1   16   31    8 f  109.067   37.292  194.811  122.096   0.0000   0.0000  194.811  122.096  ?   ?   109.067   37.292 0.000000 37.29182 
1 1 1   16   31    9 o   92.117   20.489  118.173   45.914  115.200   49.699  135.494  119.956   90.267   22.202   96.026   36.390 -5.758904 42.62785 
1 1 1   16   31   10 o   59.838   21.338   43.875   40.232   43.875   40.232   0.0000   0.0000   59.838   21.338  ?   ?  0.000000 21.33837 
1 1 1   16   31   11 o  104.773   19.799  150.418   49.902  169.458   55.467   69.555  114.308  110.891   20.794   82.828   34.156 28.06389 39.98802 
1 1 1   16   31   12 o  138.784   17.744  256.841   60.087  281.166   68.960  180.142  122.450  144.303   19.648  107.466   37.317 36.83664 42.17313 
1 1 1   16   31   13 o   93.018   14.295  114.027   32.141  120.225   33.480   41.118  114.832   95.494   14.495   78.312   33.375 17.18220 36.38688 
1 1 1   16   31   14 o  173.072   12.816  386.049   54.997  418.121   60.115  221.374  136.217  179.859   13.482  117.261   39.393 62.59792 41.63617 
1 1 1   16   31   15 o  112.889   12.855  165.318   35.591  164.822   37.353  170.212  117.292  112.480   13.573  105.709   36.533 6.771286 38.97241 
1 1 1   16   31   16 o  129.282   12.686  215.993   40.429  228.060   42.938  121.688  120.034  132.719   13.128   94.819   36.289 37.90076 38.59061 
1 1 1   16   31   17 o  104.781   13.031  142.805   33.360  150.299   34.857   61.120  115.076  107.456   13.272   82.156   34.108 25.29918 36.59901 
1 1 1   16   31   18 o  113.093   12.873  165.910   35.708  173.984   37.547   89.457  115.540  115.726   13.230   87.596   34.985 28.13034 37.40332 
1 1 1   16   31   19 o   52.685   19.873   28.997   35.670   28.997   35.670   0.0000   0.0000   52.685   19.873  ?   ?  0.000000 19.87290 
1 1 1   16   31   20 o  141.370   12.196  257.433   42.633  264.828   45.505  204.317  121.953  143.155   12.867  113.835   37.240 29.32079 39.40038 
1 1 1   16   31   21 o  105.494   12.313  144.283   31.828  138.465   33.098  215.778  116.023  103.050   13.163  116.999   36.103 -13.94910 38.42717 
1 1 1   16   31   22 o   26.580   11.935  -7.1883   16.487  -8.2752   16.695   35.591  104.742   26.390   11.915   74.869   31.891 -48.47844 34.04398 
1 1 1   16   31   23 f   88.434   18.060  106.539   38.534  117.831   40.936   18.695  114.177   93.030   18.273   74.104   32.425 18.92554 37.21965 
1 1 1   16   31   24 o  147.361   11.864  279.822   43.290  282.031   46.019  262.844  127.599  147.653   12.601  126.645   37.611 21.00809 39.66600 
1 1 1   16   31   25 o   57.664   14.552   44.826   20.954   40.422   21.350  160.397  109.374   54.826   15.109  101.456   35.266 -46.63066 38.36621 
1 1 1   16   31   26 o  164.314   11.945  348.398   48.677  348.984   52.006  344.254  138.269  164.066   12.795  143.831   37.947 20.23537 40.04604 
1 1 1   16   31   27 o   83.583   18.553   96.645   37.713   96.645   37.713   0.0000   0.0000   83.583   18.553  ?   ?  0.000000 18.55261 
1 1 1   16   31   28 o  174.981   12.107  396.229   52.577  409.302   57.217  325.283  133.290  177.381   13.008  138.551   37.575 38.83055 39.76322 
1 1 1   16   31   29 o   77.548   12.881   79.746   24.070   73.664   24.708  192.980  106.606   74.144   13.854  107.963   34.782 -33.81955 37.43935 
1 1 1   16   31   30 o  166.697   11.991  360.428   49.582  385.127   54.498  241.758  119.458  171.907   12.787  118.401   36.649 53.50587 38.81576 
1 1 1   16   31   31 o   77.285   29.995   79.644   82.837   0.0000   0.0000   79.644   82.837  ?   ?    77.285   29.995 0.000000 29.99513 
1 1 1   16   32    0 o   28.030   13.455 -34.0088   27.277 -34.3931   28.027 -27.1109  118.746   28.482   13.663   61.307   29.046 -32.82470 32.09861 
1 1 1   16   32    1 o   45.808   18.704   17.920   33.855   10.488   35.221  108.228  122.772   43.934   18.594   80.096   34.332 -36.16156 39.04367 
1 1 1   16   32    2 o   55.985   20.723   40.748   38.424   40.748   38.424   0.0000   0.0000   55.985   20.723  ?   ?  0.000000 20.72263 
1 1 1   16   32    3 o  111.986   19.319  179.287   52.073  175.179   56.666  201.588  132.031  109.007   21.581   99.847   38.096 9.160194 43.78401 
1 1 1   16   32    4 o  185.716   20.010  487.870   91.335  691.135  111.127   64.701  160.340  220.785   20.386   80.937   36.700 139.8486 41.98159 
1 1 1   16   32    5 o  140.820   18.511  275.504   63.517  322.002   72.356  119.315  132.612  151.493   19.585   87.398   36.477 64.09554 41.40177 
1 1 1   16   32    6 f  139.895   19.598  273.544   66.586  364.599   76.343 -15.9513  136.125  162.051   19.241   70.450   32.627 91.60071 37.87817 
1 1 1   16   32    7 o   80.090   34.166   71.285  120.556   0.0000   0.0000   71.285  120.556  ?   ?    80.090   34.166 0.000000 34.16648 
1 1 1   16   32    8 o  110.522   20.017  171.236   53.212  207.270   58.649   3.4961  126.540  121.864   19.964   71.952   32.616 49.91142 38.24123 
1 1 1   16   32    9 o  185.512   17.988  465.638   82.283  547.024   98.701  280.194  148.990  199.327   20.104  122.754   41.198 76.57364 45.84183 
1 1 1   16   32   10 o   95.583   20.291  128.390   46.934  140.841   51.069   60.712  119.062   99.779   21.152   79.742   33.984 20.03705 40.02954 
1 1 1   16   32   11 o   65.857   21.430   59.208   40.404   59.208   40.404   0.0000   0.0000   65.857   21.430  ?   ?  0.000000 21.42994 
1 1 1   16   32   12 o   83.449   20.775   98.237   43.125  114.686   46.531  -1.9574  114.839   90.138   21.053   70.017   31.465 20.12124 37.85864 
1 1 1   16   32   13 o   73.596   20.566   75.850   39.260   71.752   41.913  105.166  112.115   71.676   21.617   88.091   34.689 -16.41482 40.87379 
1 1 1   16   32   14 o  202.868   12.967  533.156   65.347  566.455   72.258  383.639  153.114  208.539   13.956  149.669   40.140 58.87000 42.49714 
1 1 1   16   32   15 o   71.738   15.454   69.610   26.867   74.771   27.677 -14.7444  111.899   74.424   15.400   67.992   30.760 6.431656 34.39936 
1 1 1   16   32   16 o   95.716   14.037  120.992   32.554  127.347   33.901   45.754  116.644   98.165   14.246   78.204   33.491 19.96102 36.39458 
1 1 1   16   32   17 o   62.137   15.891   52.447   24.755   47.004   25.353  163.725  114.632   58.911   16.550  102.037   36.058 -43.12531 39.67453 
1 1 1   16   32   18 o   80.338   14.117   85.879   27.287   81.506   28.081  159.943  115.561   77.944   14.972  101.126   36.154 -23.18276 39.13091 
1 1 1   16   32   19 o  164.038   11.971  347.081   48.700  343.044   52.283  373.542  133.870  162.623   12.983  152.773   35.728 9.850601 38.01373 
1 1 1   16   32   20 o   45.858   18.104   17.885   30.611   17.885   30.611   0.0000   0.0000   45.858   18.104  ?   ?  0.000000 18.10449 
1 1 1   16   32   21 o   44.171   14.993   24.004   19.734   24.261   20.061   16.312  109.778   44.435   15.116   71.817   31.600 -27.38240 35.02949 
1 1 1   16   32   22 o   57.421   15.205   44.647   22.148   48.640   22.589 -54.6376  112.640   59.896   15.105   63.021   29.354 -3.124710 33.01215 
1 1 1   16   32   23 o   76.907   13.495   78.660   24.972   82.043   25.576   9.6033  115.561   78.574   13.523   71.815   31.968 6.758720 34.71024 
1 1 1   16   32   24 o   83.215   17.786   95.363   35.838   90.270   37.638  144.828  117.296   80.469   19.029   96.314   36.096 -15.84489 40.80470 
1 1 1   16   32   25 o  110.293   12.044  158.468   32.632  164.619   33.803   74.288  125.052  112.358   12.246   82.989   35.075 29.36859 37.15149 
1 1 1   16   32   26 f  166.637   11.846  359.561   48.972  356.639   52.448  379.435  136.792  165.468   12.792  150.165   36.772 15.30241 38.93391 
1 1 1   16   32   27 o   52.118   14.431   36.723   19.424   36.386   19.679   49.458  120.973   51.900   14.581   77.645   33.683 -25.74501 36.70387 
1 1 1   16   32   28 o   52.924   16.890   37.272   25.184   37.272   25.184   0.0000   0.0000   52.924   16.890  ?   ?  0.000000 16.89030 
1 1 1   16   32   29 o   87.797   12.497  101.801   26.626   99.868   27.410  134.171  112.169   86.735   13.060   91.644   35.079 -4.908493 37.43096 
1 1 1   16   32   30 o  157.814   34.666  415.842  132.880   0.0000   0.0000  415.842  132.880  ?   ?   157.814   34.666 0.000000 34.66589 
1 1 1   16   32   31 o  103.952   33.513  183.466   98.957   0.0000   0.0000  183.466   98.957  ?   ?   103.952   33.513 0.000000 33.51296 
1 1 1   16   33    0 o   34.638   15.751  -9.9929   29.805 -10.9179   30.582   7.5342  133.123   34.861   15.892   64.200   30.514 -29.33912 34.40445 
1 1 1   16   33    1 o   68.723   21.307   73.907   40.358   84.191   42.386 -25.9182  132.055   72.976   21.678   62.071   29.745 10.90493 36.80616 
1 1 1   16   33    2 o  145.239   19.279  309.077   68.195  368.906   77.276   98.437  144.996  157.867   20.055   76.951   34.895 80.91649 40.24740 
1 1 1   16   33    3 f  150.054   20.671  333.494   75.400  333.494   75.400   0.0000   0.0000  150.054   20.671  ?   ?  0.000000 20.67076 
1 1 1   16   33    4 o   98.260   21.328  145.321   50.832  186.020   54.950 -96.0682  133.825  112.377   20.330   59.107   28.717 53.27050 35.18455 
1 1 1   16   33    5 o   50.950   19.541   30.286   34.852   25.609   36.360   83.177  122.272   49.665   19.692   77.274   33.690 -27.60863 39.02318 
1 1 1   16   33    6 o   69.533   31.756   19.497  122.826   0.0000   0.0000   19.497  122.826  ?   ?    69.533   31.756 0.000000 31.75633 
1 1 1   16   33    7 o   54.550   20.086   37.481   36.013   40.303   37.666   7.4136  122.931   56.072   20.557   68.788   31.548 -12.71647 37.65458 
1 1 1   16   33    8 o   99.164   38.186  188.928  133.438   0.0000   0.0000  188.928  133.438  ?   ?    99.164   38.186 0.000000 38.18594 
1 1 1   16   33    9 o   80.811   21.013   95.301   42.800  116.866   45.799 -53.3939  120.263   89.723   20.840   62.568   29.518 27.15577 36.13300 
1 1 1   16   33   10 o   64.440   20.733   58.363   37.888   62.982   40.060   19.192  116.661   66.610   21.307   70.771   31.765 -4.160599 38.24953 
1 1 1   16   33   11 f   90.804   20.028  117.541   44.196  118.100   47.520  113.961  120.275   90.300   21.401   87.077   35.370 3.223007 41.34005 
1 1 1   16   33   12 o   88.848   20.969  113.466   45.776  113.466   45.776   0.0000   0.0000   88.848   20.969  ?   ?  0.000000 20.96945 
1 1 1   16   33   13 o  104.104   18.834  150.768   47.161  149.051   51.214  160.341  120.958  102.438   20.732   97.489   36.632 4.949692 42.09159 
1 1 1   16   33   14 o  159.814   18.442  348.922   72.249  447.644   84.700   85.230  138.429  180.696   19.058   85.146   36.474 95.55086 41.15346 
1 1 1   16   33   15 o   89.424   14.043  106.728   30.326  105.728   31.322  121.718  121.260   88.758   14.642   90.152   35.893 -1.394104 38.76482 
1 1 1   16   33   16 o  174.770   12.641  397.723   54.797  415.957   59.366  292.753  142.439  178.282   13.433  126.504   40.147 51.77790 42.33482 
1 1 1   16   33   17 o  203.187   12.917  537.710   65.201  570.868   71.892  384.036  154.771  208.728   13.872  145.303   40.916 63.42514 43.20306 
1 1 1   16   33   18 o  109.500   12.496  156.977   33.557  149.156   34.822  258.756  125.622  106.337   13.412  121.742   37.566 -15.40449 39.88872 
1 1 1   16   33   19 o  146.543   12.229  279.303   44.344  295.388   47.111  154.315  131.322  150.521   12.651   97.316   37.767 53.20547 39.82980 
1 1 1   16   33   20 o   99.014   13.156  129.357   31.724  149.267   32.859 -143.9841  121.749  106.702   12.573   56.331   27.373 50.37106 30.12288 
1 1 1   16   33   21 o   41.133   16.776   10.999   27.196   10.999   27.196   0.0000   0.0000   41.133   16.776  ?   ?  0.000000 16.77572 
1 1 1   16   33   22 f   58.427   14.816   46.565   21.648   49.264   22.036 -27.9725  115.808   60.095   14.785   65.790   30.337 -5.695820 33.74798 
1 1 1   16   33   23 o   98.037   12.327  126.230   29.512  125.562   30.345  137.910  126.833   97.608   12.755   93.208   36.835 4.400589 38.98071 
1 1 1   16   33   24 o   37.719   13.831   15.535   17.051   17.611   17.238 -78.7678  116.180   39.072   13.964   60.116   28.553 -21.04370 31.78487 
1 1 1   16   33   25 o   47.586   16.960   27.375   25.411   20.311   25.962  188.444  123.972   44.371   16.902  103.185   37.376 -58.81384 41.02019 
1 1 1   16   33   26 o  116.561   11.569  177.168   33.231  170.822   34.328  271.670  132.481  114.155   12.233  121.160   38.747 -7.005272 40.63182 
1 1 1   16   33   27 o   45.089   13.986   26.846   17.387   29.447   17.543 -117.4567  130.678   46.902   13.950   59.924   28.937 -13.02207 32.12429 
1 1 1   16   33   28 o   60.030   17.080   50.068   26.826   50.068   26.826   0.0000   0.0000   60.030   17.080  ?   ?  0.000000 17.07994 
1 1 1   16   33   29 o   62.468   29.454 -55.3097  119.433   0.0000   0.0000 -55.3097  119.433  ?   ?    62.468   29.454 0.000000 29.45427 
1 1 1   16   33   30 f  105.900   37.629  210.008  125.006   0.0000   0.0000  210.008  125.006  ?   ?   105.900   37.629 0.000000 37.62936 
1 1 1   16   34    0 o   46.586   18.978   24.023   34.756   15.947   35.844  151.027  142.141   44.294   18.753   75.945   34.482 -31.65172 39.25112 
1 1 1   16   34    1 o   55.822   27.414 -78.9148  131.913   0.0000   0.0000 -78.9148  131.913  ?   ?    55.822   27.414 0.000000 27.41448 
1 1 1   16   34    2 o  112.238   19.532  191.096   52.756  196.542   56.626  155.285  145.208  112.401   20.945   79.569   35.596 32.83253 41.30077 
1 1 1   16   34    3 o   65.441   20.842   66.884   38.362   69.422   40.047   38.606  133.670   66.387   21.311   67.408   31.586 -1.020401 38.10299 
1 1 1   16   34    4 o   31.975   14.676 -13.2597   26.671 -15.7578   27.242   44.471  130.962   31.729   14.660   68.765   31.902 -37.03616 35.10875 
1 1 1   16   34    5 o   73.548   33.712   71.908  140.099   0.0000   0.0000   71.908  140.099  ?   ?    73.548   33.712 0.000000 33.71158 
1 1 1   16   34    6 o   43.689   17.973   15.283   31.559   21.905   32.530 -90.6090  130.086   46.489   18.565   57.947   28.190 -11.45818 33.75434 
1 1 1   16   34    7 o   49.829   18.968   29.803   32.683   26.710   33.756   76.187  130.700   48.916   19.102   75.416   33.752 -26.50009 38.78292 
1 1 1   16   34    8 o   41.797   17.473   10.483   30.500   22.210   31.547 -157.5008  119.397   46.576   18.382   51.803   25.564 -5.226849 31.48694 
1 1 1   16   34    9 o   65.443   30.458  -7.4012  120.881   0.0000   0.0000  -7.4012  120.881  ?   ?    65.443   30.458 0.000000 30.45765 
1 1 1   16   34   10 o   46.579   18.317   21.889   31.217   22.889   32.316   7.9163  120.769   47.385   18.635   67.700   31.130 -20.31447 36.28137 
1 1 1   16   34   11 o   67.439   20.502   66.348   37.589   73.741   39.498  -4.6312  122.389   70.752   20.905   66.995   30.995 3.756470 37.38605 
1 1 1   16   34   12 o   91.656   19.998  121.716   44.484  139.388   47.615   0.4456  124.734   98.194   20.095   68.408   31.522 29.78581 37.38288 
1 1 1   16   34   13 o   36.480   15.987  -2.3507   27.848  -2.3507   27.848   0.0000   0.0000   36.480   15.987  ?   ?  0.000000 15.98666 
1 1 1   16   34   14 o  108.132   18.928  164.993   49.247  194.556   53.712   9.0226  123.375  117.601   18.933   69.851   31.872 47.75007 37.07149 
1 1 1   16   34   15 o  108.717   18.664  165.924   48.846  181.412   52.925   76.893  126.892  113.292   19.405   79.969   34.594 33.32316 39.66525 
1 1 1   16   34   16 o   93.928   13.492  117.928   30.737  115.168   31.672  162.631  127.456   92.504   14.162   95.328   37.148 -2.824303 39.75615 
1 1 1   16   34   17 o   94.324   13.384  118.716   30.641  124.866   31.605   22.549  124.978   96.746   13.446   72.440   32.664 24.30552 35.32296 
1 1 1   16   34   18 o   69.693   14.687   66.449   24.755   61.802   25.251  181.392  125.584   66.916   15.427   99.706   37.353 -32.78994 40.41302 
1 1 1   16   34   19 o  149.821   12.423  294.255   46.060  315.646   48.860  123.467  138.057  155.019   12.734   88.860   37.164 66.15839 39.28471 
1 1 1   16   34   20 o  135.372   12.109  239.969   40.501  245.893   42.443  179.654  135.430  136.803   12.564   98.893   38.361 37.91074 40.36592 
1 1 1   16   34   21 o   90.707   12.787  109.290   28.161  109.322   28.904  108.691  124.994   90.563   13.167   85.575   35.539 4.988007 37.89940 
1 1 1   16   34   22 o   72.927   18.395   75.440   33.496   70.916   34.566  145.132  135.666   70.489   19.143   92.276   37.532 -21.78757 42.13218 
1 1 1   16   34   23 o   35.329   13.446   12.270   16.423   12.517   16.568  -1.6187  124.436   35.556   13.512   69.264   31.757 -33.70784 34.51173 
1 1 1   16   34   24 o   28.099   11.867   1.7599   14.297   0.9103   14.390   67.481  126.560   27.768   11.824   78.681   34.291 -50.91244 36.27191 
1 1 1   16   34   25 o   36.479   13.304   14.825   15.747   13.673   15.875   85.298  124.193   35.832   13.309   81.001   34.620 -45.16930 37.08950 
1 1 1   16   34   26 o   88.874   12.222  104.671   26.406  107.896   26.932   24.560  134.234   90.231   12.271   73.672   33.472 16.55988 35.65065 
1 1 1   16   34   27 o   34.106   13.081   11.085   15.617   11.666   15.719 -33.3532  137.453   34.512   13.150   67.795   31.851 -33.28255 34.45910 
1 1 1   16   34   28 o   62.862   19.373   56.053   33.420   58.147   34.387   20.371  141.942   63.895   19.644   74.001   33.924 -10.10675 39.20150 
1 1 1   16   35    0 o   30.595   14.264 -15.5919   26.695 -13.9887   27.162 -60.9859  144.534   31.255   14.510   55.006   27.318 -23.75064 30.93246 
1 1 1   16   35    1 o   39.660   17.084   9.0174   30.681   15.519   31.382 -131.6241  145.958   42.057   17.662   52.574   26.318 -10.51723 31.69544 
1 1 1   16   35    2 o   66.826   31.825   72.426  146.244   0.0000   0.0000   72.426  146.244  ?   ?    66.826   31.825 0.000000 31.82462 
1 1 1   16   35    3 o   81.695   20.582  107.168   41.970   98.884   43.897  195.346  143.221   77.223   21.806   81.730   36.023 -4.507446 42.10852 
1 1 1   16   35    4 o   70.267   32.662   84.672  138.332   0.0000   0.0000   84.672  138.332  ?   ?    70.267   32.662 0.000000 32.66235 
1 1 1   16   35    5 o   67.694   20.745   72.661   38.383   75.174   39.822   39.762  144.087   68.583   21.149   67.300   31.917 1.282661 38.28795 
1 1 1   16   35    6 o   47.974   18.776   27.368   32.671   27.368   32.671   0.0000   0.0000   47.974   18.776  ?   ?  0.000000 18.77642 
1 1 1   16   35    7 o   68.129   20.782   72.251   38.576   87.339   40.230 -100.0017  135.927   74.798   20.789   56.926   27.931 17.87179 34.81846 
1 1 1   16   35    8 o  125.047   19.754  232.490   59.636  282.676   65.677  -3.2756  142.351  138.224   19.575   65.854   31.372 72.36929 36.97783 
1 1 1   16   35    9 o   95.538   20.101  137.123   46.436  143.199   49.426   91.404  135.579   96.920   21.026   75.937   34.151 20.98332 40.10481 
1 1 1   16   35   10 o   93.837   37.953  203.949  137.855   0.0000   0.0000  203.949  137.855  ?   ?    93.837   37.953 0.000000 37.95338 
1 1 1   16   35   11 o   85.613   20.667  110.591   43.682  142.285   46.396 -136.7890  129.621   98.293   19.590   55.017   27.051 43.27584 33.39919 
1 1 1   16   35   12 o   36.954   15.992   1.6659   27.137  -1.1890   27.823   57.386  122.920   36.452   15.977   72.638   32.605 -36.18583 36.30866 
1 1 1   16   35   13 o   48.950   18.427   28.688   30.633   19.897   31.558  172.208  127.508   45.704   18.273   91.797   36.721 -46.09331 41.01628 
1 1 1   16   35   14 o  104.720   19.878  159.870   50.080  159.870   50.080   0.0000   0.0000  104.720   19.878  ?   ?  0.000000 19.87782 
1 1 1   16   35   15 o   46.344   17.747   23.764   28.719   26.690   29.513 -28.4081  124.620   47.888   18.073   64.058   30.168 -16.17071 35.16787 
1 1 1   16   35   16 o   44.171   17.232   19.748   27.447   15.874   28.145   94.885  123.961   42.875   17.216   79.879   34.374 -37.00428 38.44473 
1 1 1   16   35   17 o  111.895   12.705  166.725   34.871  171.979   36.119   94.614  133.817  113.515   12.975   80.789   35.233 32.72681 37.54630 
1 1 1   16   35   18 o   80.719   14.211   88.946   27.599   98.774   28.278 -108.1028  126.622   85.387   13.727   57.907   28.088 27.47944 31.26281 
1 1 1   16   35   19 o  106.314   12.647  150.420   32.917  156.256   33.956   59.398  134.102  108.299   12.803   76.385   34.187 31.91400 36.50596 
1 1 1   16   35   20 o  183.608   12.683  445.283   57.795  470.580   62.151  283.563  157.143  188.259   13.306  112.306   41.840 75.95331 43.90499 
1 1 1   16   35   21 o  121.025   12.306  193.745   36.673  205.515   38.028   37.294  138.642  124.634   12.382   74.361   33.875 50.27343 36.06691 
1 1 1   16   35   22 o  115.340   12.374  176.221   35.084  189.461   36.166 -35.2052  144.520  119.688   12.274   67.819   32.105 51.86920 34.37162 
1 1 1   16   35   23 o   48.872   14.478   32.592   18.925   29.906   19.112  167.860  135.608   47.116   14.672   93.280   37.673 -46.16422 40.42882 
1 1 1   16   35   24 o   91.804   12.194  112.060   27.263  107.625   27.800  223.482  139.352   89.684   12.774  103.448   39.217 -13.76447 41.24500 
1 1 1   16   35   25 o  111.425   11.593  163.488   31.785  151.948   32.554  399.190  147.122  106.981   12.416  140.850   39.973 -33.86869 41.85651 
1 1 1   16   35   26 o   58.527   18.368   48.237   29.890   46.251   30.614   88.743  138.239   57.550   18.649   80.626   35.468 -23.07582 40.07256 
1 1 1   16   35   27 o   51.400   18.370   33.940   29.832   29.981   30.462  126.569  147.342   49.760   18.445   86.192   37.282 -36.43216 41.59545 
1 1 1   16   35   28 o   77.193   35.363   52.225  153.879   0.0000   0.0000   52.225  153.879  ?   ?    77.193   35.363 0.000000 35.36314 
1 1 1   16   36    0 o  115.406   23.282  244.649   64.783  321.423   70.101 -204.5406  169.563  136.056   21.334   48.674   24.804 87.38279 32.71708 
1 1 1   16   36    1 o   52.761   19.645   45.363   34.635   41.867   35.537  111.570  154.653   51.376   19.726   63.582   30.886 -12.20556 36.64808 
1 1 1   16   36    2 o   37.357   16.322   5.7399   28.837   2.7796   29.362   86.255  153.130   36.714   16.239   63.606   30.860 -26.89250 34.87236 
1 1 1   16   36    3 o   52.279   26.177 -118.4599  144.811   0.0000   0.0000 -118.4599  144.811  ?   ?    52.279   26.177 0.000000 26.17699 
1 1 1   16   36    4 o   42.880   17.652   18.741   30.464   23.610   31.138 -90.1135  147.227   44.888   18.079   54.884   27.309 -9.995548 32.75135 
1 1 1   16   36    5 o   35.145   15.646  -1.7011   27.689  -1.1461   28.262 -14.9850  138.271   35.620   15.835   59.408   28.937 -23.78806 32.98635 
1 1 1   16   36    6 o   69.948   21.153   80.306   40.091   85.889   41.841   17.717  140.098   72.002   21.573   62.986   30.301 9.015747 37.19574 
1 1 1   16   36    7 o   44.547   17.824   21.793   30.049   21.793   30.049   0.0000   0.0000   44.547   17.824  ?   ?  0.000000 17.82405 
1 1 1   16   36    8 o   49.784   18.632   33.317   31.231   37.112   32.036 -39.3252  140.169   51.566   18.951   60.229   29.292 -8.663460 34.88746 
1 1 1   16   36    9 o   57.189   19.658   48.823   33.939   57.990   35.048 -89.2252  136.008   61.418   19.958   56.773   27.872 4.645309 34.28097 
1 1 1   16   36   10 o   82.287   19.952  104.218   40.574  104.247   42.383  103.905  140.390   81.665   20.743   74.963   34.125 6.702141 39.93501 
1 1 1   16   36   11 o   59.260   28.680 -54.6727  130.145   0.0000   0.0000 -54.6727  130.145  ?   ?    59.260   28.680 0.000000 28.67972 
1 1 1   16   36   12 o  132.835   18.102  255.888   58.483  263.021   63.632  217.093  148.405  133.013   19.758   91.830   38.478 41.18270 43.25417 
1 1 1   16   36   13 o   53.733   18.676   40.486   30.675   37.484   31.510   94.920  134.167   52.454   18.865   75.895   34.065 -23.44072 38.94033 
1 1 1   16   36   14 o   52.876   18.448   38.656   29.942   37.535   30.737   59.507  132.562   52.467   18.657   72.013   32.929 -19.54575 37.84685 
1 1 1   16   36   15 f   49.616   18.132   31.798   29.270   31.798   29.270   0.0000   0.0000   49.616   18.132  ?   ?  0.000000 18.13218 
1 1 1   16   36   16 o   41.945   16.660   16.797   26.068   16.627   26.606   20.865  130.265   42.107   16.798   68.236   31.711 -26.12962 35.88511 
1 1 1   16   36   17 o  130.514   17.232  240.663   54.788  232.505   59.062  290.988  146.699  126.466   19.314  109.816   40.522 16.64965 44.88956 
1 1 1   16   36   18 o   40.999   14.712   20.493   19.152   18.649   19.351  108.566  133.739   40.020   14.725   80.072   35.063 -40.05180 38.02995 
1 1 1   16   36   19 o   45.700   14.974   27.978   19.714   26.859   19.925   80.121  136.054   45.048   15.066   76.642   34.359 -31.59343 37.51725 
1 1 1   16   36   20 o  115.557   12.630  178.673   35.851  195.301   37.022 -71.7970  143.686  120.984   12.431   62.785   30.325 58.19903 32.77374 
1 1 1   16   36   21 f   48.994   14.808   33.087   19.651   31.085   19.850  131.363  139.094   47.718   14.967   84.217   36.326 -36.49828 39.28869 
1 1 1   16   36   22 o   54.319   14.656   41.222   20.339   44.277   20.565 -95.7178  137.686   56.291   14.531   60.087   29.178 -3.796196 32.59612 
1 1 1   16   36   23 o   90.048   18.487  117.225   40.179  117.225   40.179   0.0000   0.0000   90.048   18.487  ?   ?  0.000000 18.48726 
1 1 1   16   36   24 o   34.374   13.090   11.945   15.571   11.464   15.664   51.980  143.003   34.143   13.099   74.475   34.108 -40.33141 36.53688 
1 1 1   16   36   25 o   24.339   10.758  -3.0785   12.866  -2.5553   12.919 -66.0393  141.717   24.622   10.837   63.129   30.396 -38.50655 32.27050 
1 1 1   16   36   26 o   88.309   11.743  103.966   25.254   97.017   25.615  345.730  151.086   84.940   12.445  122.109   41.485 -37.16969 43.31141 
1 1 1   16   36   27 o   91.979   39.278  189.891  159.613   0.0000   0.0000  189.891  159.613  ?   ?    91.979   39.278 0.000000 39.27758 
1 1 1   16   37    0 o   40.178   17.342   17.372   31.741   17.372   31.741   0.0000   0.0000   40.178   17.342  ?   ?  0.000000 17.34168 
1 1 1   16   37    1 o   89.327   22.778  154.535   50.966  154.535   50.966   0.0000   0.0000   89.327   22.778  ?   ?  0.000000 22.77759 
1 1 1   16   37    2 o   48.989   24.883 -141.0102  160.429   0.0000   0.0000 -141.0102  160.429  ?   ?    48.989   24.883 0.000000 24.88253 
1 1 1   16   37    3 o   65.588   21.123   78.390   39.320   87.735   40.492 -76.0507  164.611   69.321   21.318   52.842   26.650 16.47898 34.12709 
1 1 1   16   37    4 o   56.411   28.179 -20.0862  163.321   0.0000   0.0000 -20.0862  163.321  ?   ?    56.411   28.179 0.000000 28.17898 
1 1 1   16   37    5 o   41.664   17.364   17.435   29.988   25.593   30.610 -177.1856  149.506   44.845   17.973   49.409   24.976 -4.563488 30.77040 
1 1 1   16   37    6 o   61.927   20.290   64.269   36.198   60.435   37.230  130.533  154.765   60.031   20.592   68.441   32.634 -8.410164 38.58725 
1 1 1   16   37    7 o   40.514   16.929   14.231   28.615   14.385   29.161   10.231  148.553   40.780   17.070   60.658   29.643 -19.87843 34.20673 
1 1 1   16   37    8 f   74.482   20.953   92.041   40.610   92.041   40.610   0.0000   0.0000   74.482   20.953  ?   ?  0.000000 20.95315 
1 1 1   16   37    9 o   67.925   20.211   74.670   36.819   73.270   37.982   96.498  149.954   66.981   20.654   69.538   32.854 -2.557373 38.80679 
1 1 1   16   37   10 o  117.293   19.116  210.135   54.062  217.772   57.588  153.435  156.914  118.176   20.242   76.030   35.147 42.14690 40.55951 
1 1 1   16   37   11 f   95.964   20.096  143.535   46.614  158.149   49.029   6.1014  150.359  100.780   20.186   63.978   30.930 36.80275 36.93381 
1 1 1   16   37   12 o   62.919   30.338  -6.3448  142.353   0.0000   0.0000  -6.3448  142.353  ?   ?    62.919   30.338 0.000000 30.33799 
1 1 1   16   37   13 o   40.036   16.558   12.541   26.972   15.062   27.497 -51.5689  138.654   41.238   16.849   59.606   29.021 -18.36757 33.55771 
1 1 1   16   37   14 o   46.417   17.583   26.800   27.998   25.141   28.596   65.231  137.645   45.860   17.672   70.168   32.605 -24.30779 37.08604 
1 1 1   16   37   15 o   49.191   17.848   32.462   28.287   29.262   28.867  109.685  141.794   47.847   17.912   75.863   34.443 -28.01603 38.82153 
1 1 1   16   37   16 o   58.199   19.014   50.200   31.795   50.200   31.795   0.0000   0.0000   58.199   19.014  ?   ?  0.000000 19.01394 
1 1 1   16   37   17 o   68.281   19.526   70.972   34.968   73.897   36.079   25.662  142.001   69.502   19.819   68.025   32.087 1.477699 37.71457 
1 1 1   16   37   18 o  104.410   19.075  161.426   47.901  182.460   50.706 -13.0488  146.041  111.264   18.927   65.420   31.331 45.84438 36.60432 
1 1 1   16   37   19 o   70.848   14.254   70.275   24.344   68.672   24.674  129.042  149.389   69.831   14.618   80.209   35.978 -10.37782 38.83423 
1 1 1   16   37   20 o   86.462   13.113  102.148   27.424   99.978   27.892  165.191  150.319   85.282   13.550   85.177   37.239 0.1044159 39.62812 
1 1 1   16   37   21 o   85.121   13.228   99.125   27.204  103.392   27.652 -29.2731  151.690   87.016   13.135   65.494   31.513 21.52174 34.14101 
1 1 1   16   37   22 o   95.634   12.754  123.919   29.700  133.502   30.290 -114.9383  151.225   99.476   12.468   59.621   29.295 39.85485 31.83753 
1 1 1   16   37   23 o  134.370   11.955  240.917   39.694  249.594   40.972  108.333  160.166  136.653   12.133   78.891   36.118 57.76184 38.10152 
1 1 1   16   37   24 o   53.955   17.363   41.405   26.571   41.405   26.571   0.0000   0.0000   53.955   17.363  ?   ?  0.000000 17.36261 
1 1 1   16   37   25 o   35.682   14.947   6.5758   22.383   6.7909   22.632  -3.0405  151.330   35.917   15.036   67.686   32.273 -31.76937 35.60356 
1 1 1   16   37   26 f   73.713   34.506   59.007  158.847   0.0000   0.0000   59.007  158.847  ?   ?    73.713   34.506 0.000000 34.50623 
1 1 1   16   37   27 o   73.325   35.668   12.249  208.150   0.0000   0.0000   12.249  208.150  ?   ?    73.325   35.668 0.000000 35.66846 
1 1 1   16   38    3 o   36.731   16.232   8.1755   29.267   11.389   29.706 -98.2313  170.950   37.841   16.549   48.717   24.834 -10.87688 29.84258 
1 1 1   16   38    4 o   47.298   18.869   35.640   33.574   42.707   34.311 -123.7481  162.944   50.008   19.333   48.646   24.745 1.361626 31.40208 
1 1 1   16   38    5 o   42.324   17.718   21.297   31.425   22.288   32.042  -3.6839  160.894   42.810   17.904   54.217   27.210 -11.40704 32.57235 
1 1 1   16   38    6 o   54.073   27.118 -32.3105  158.347   0.0000   0.0000 -32.3105  158.347  ?   ?    54.073   27.118 0.000000 27.11811 
1 1 1   16   38    7 o   49.675   18.937   38.223   32.608   29.843   33.292  235.927  161.704   46.511   18.708   72.383   34.173 -25.87191 38.95845 
1 1 1   16   38    8 o   67.722   21.072   80.614   39.433   91.065   40.719 -77.0433  158.150   71.988   21.213   54.126   27.139 17.86115 34.44565 
1 1 1   16   38    9 f   90.592   21.559  140.274   48.066  140.274   48.066   0.0000   0.0000   90.592   21.559  ?   ?  0.000000 21.55901 
1 1 1   16   38   10 o   40.648   16.974   14.908   28.739   16.503   29.232 -31.1864  157.138   41.404   17.190   58.062   28.775 -16.65762 33.51878 
1 1 1   16   38   11 o   69.690   20.467   80.735   37.961   79.474   39.080  101.811  159.775   68.752   20.905   67.700   32.515 1.052673 38.65536 
1 1 1   16   38   12 o   51.502   18.833   39.152   31.585   43.137   32.295 -48.4722  151.431   53.324   19.107   58.100   28.694 -4.775265 34.47330 
1 1 1   16   38   13 o   37.706   15.950   8.9614   25.896   6.9911   26.286   73.951  150.967   37.200   15.914   67.267   32.117 -30.06701 35.84364 
1 1 1   16   38   14 o   87.720   38.700  273.463  165.699   0.0000   0.0000  273.463  165.699  ?   ?    87.720   38.700 0.000000 38.70003 
1 1 1   16   38   15 o   97.045   19.289  145.200   45.099  148.405   47.079  109.489  157.155   97.413   20.023   72.001   33.900 25.41193 39.37129 
1 1 1   16   38   16 o   47.781   17.733   30.613   28.175   26.983   28.669  133.123  152.344   46.275   17.729   75.036   34.668 -28.76165 38.93853 
1 1 1   16   38   17 o   85.530   19.701  113.601   41.211  113.601   41.211   0.0000   0.0000   85.530   19.701  ?   ?  0.000000 19.70106 
1 1 1   16   38   18 o   42.656   16.624   20.568   25.528   24.216   25.896 -104.9723  151.904   44.432   16.891   57.619   28.508 -13.18695 33.13668 
1 1 1   16   38   19 o   44.173   16.713   23.938   25.276   23.393   25.650   42.219  148.530   44.036   16.794   67.823   32.235 -23.78749 36.34700 
1 1 1   16   38   20 o   69.691   13.970   68.530   23.466   68.311   23.729   78.222  158.072   69.474   14.158   71.797   33.863 -2.322784 36.70326 
1 1 1   16   38   21 o   91.878   12.932  116.012   28.850  117.902   29.344   61.299  157.917   92.553   13.059   70.574   33.453 21.97885 35.91196 
1 1 1   16   38   22 o   64.242   14.037   58.423   21.888   58.467   22.106   56.246  156.546   64.202   14.168   70.241   33.299 -6.039459 36.18779 
1 1 1   16   38   23 o   85.999   19.577  113.151   41.100  129.702   42.525 -121.4804  160.116   92.763   18.997   58.626   29.053 34.13690 34.71273 
1 1 1   16   38   24 o   40.092   13.837   20.928   16.824   21.971   16.919 -71.6897  159.406   40.795   13.882   61.389   30.146 -20.59322 33.18860 
1 1 1   16   38   25 o   81.481   39.318  202.629  240.158   0.0000   0.0000  202.629  240.158  ?   ?    81.481   39.318 0.000000 39.31765 
1 1 1   16   38   26 o   98.394   44.545  426.809  235.140   0.0000   0.0000  426.809  235.140  ?   ?    98.394   44.545 0.000000 44.54465 
1 1 1   16   39    7 f   52.039   26.300 -19.3887  165.245   0.0000   0.0000 -19.3887  165.245  ?   ?    52.039   26.300 0.000000 26.29986 
1 1 1   16   39    8 o   42.553   17.442   23.582   29.586   20.684   30.035  118.392  171.788   41.612   17.363   59.382   29.540 -17.76946 34.26466 
1 1 1   16   39    9 o   86.123   20.929  131.628   44.570  128.513   46.074  176.995  175.850   83.741   21.815   63.911   31.440 19.83003 38.26671 
1 1 1   16   39   10 o   34.370   15.102   3.5118   25.000   1.5412   25.290   87.838  165.439   33.895   15.028   60.642   29.957 -26.74678 33.51518 
1 1 1   16   39   11 o   36.315   15.651   7.7203   25.777   8.6212   26.033 -37.5278  184.497   36.740   15.780   56.553   28.482 -19.81327 32.56147 
1 1 1   16   39   12 o   40.609   16.651   17.674   26.975   20.771   27.351 -92.7168  163.310   41.948   16.927   53.806   27.060 -11.85781 31.91755 
1 1 1   16   39   13 o   36.362   15.499   8.3557   24.772   8.8600   25.071 -12.3995  160.828   36.685   15.614   58.101   28.849 -21.41596 32.80305 
1 1 1   16   39   14 o   41.383   16.669   19.222   26.472   13.088   26.823  248.750  164.081   39.128   16.374   78.038   36.028 -38.91020 39.57465 
1 1 1   16   39   15 o   73.354   34.712  189.825  168.602   0.0000   0.0000  189.825  168.602  ?   ?    73.354   34.712 0.000000 34.71161 
1 1 1   16   39   16 o   66.948   19.323   72.673   34.101   69.034   34.844  155.384  166.103   64.932   19.739   71.602   34.047 -6.669830 39.35522 
1 1 1   16   39   17 o   59.168   19.021   55.703   31.895   58.586   32.532 -15.7967  162.017   60.496   19.185   60.494   29.839 0.1380920E-02 35.47477 
1 1 1   16   39   18 o   58.744   18.617   54.208   30.638   55.723   31.208   13.931  160.919   59.429   18.785   62.664   30.672 -3.234577 35.96691 
1 1 1   16   39   19 o   70.472   19.452   79.470   35.353   90.989   36.234 -148.5925  161.229   75.833   19.135   54.499   27.336 21.33398 33.36742 
1 1 1   16   39   20 o   45.208   17.200   26.421   26.867   27.590   27.248 -14.5155  161.277   45.826   17.349   61.666   30.290 -15.84011 34.90682 
1 1 1   16   39   21 o   42.998   14.832   25.324   19.330   22.825   19.446  232.094  176.861   41.543   14.833   80.908   37.371 -39.36515 40.20739 
1 1 1   16   39   22 o   84.181   19.952  112.534   41.303  118.991   42.602   11.495  168.529   86.506   20.104   64.207   31.419 22.29852 37.30036 
1 1 1   16   39   23 o   52.141   14.609   39.542   19.783   41.333   19.974 -52.6361  143.291   53.292   14.585   58.063   28.527 -4.771477 32.03891 
1 1 1   16   39   24 o   61.999   30.065   2.1877  144.846   0.0000   0.0000   2.1877  144.846  ?   ?    61.999   30.065 0.000000 30.06513 
1 1 1   16   39   25 o   85.854   36.653  224.171  138.928   0.0000   0.0000  224.171  138.928  ?   ?    85.854   36.653 0.000000 36.65275 
1 1 1   16   40   11 o   44.562   17.604   29.848   28.960   29.700   29.343   35.441  179.942   44.547   17.681   54.643   27.595 -10.09610 32.77407 
1 1 1   16   40   12 o   63.551   20.168   73.737   35.946   73.737   35.946   0.0000   0.0000   63.551   20.168  ?   ?  0.000000 20.16794 
1 1 1   16   40   13 o   31.332   14.067  -1.8073   22.892  -4.2647   23.088  141.284  176.173   30.707   13.925   61.543   30.495 -30.83636 33.52345 
1 1 1   16   40   14 o   25.838   12.148 -14.9209   20.057 -15.2551   20.192   9.9589  174.242   25.853   12.166   56.451   28.329 -30.59819 30.83093 
1 1 1   16   40   15 o   37.675   15.760   12.985   24.838   16.247   25.096 -143.4824  173.805   39.052   16.042   51.427   26.098 -12.37530 30.63427 
1 1 1   16   40   16 o   51.454   26.076 -147.8255  169.520   0.0000   0.0000 -147.8255  169.520  ?   ?    51.454   26.076 0.000000 26.07553 
1 1 1   16   40   17 o   60.629   20.110   63.201   35.518   69.082   36.271 -74.1287  175.270   63.164   20.282   55.102   27.753 8.062008 34.37368 
1 1 1   16   40   18 o   34.657   15.271   2.2409   25.726   0.8445   26.010   65.086  174.489   34.375   15.241   61.932   30.627 -27.55651 34.20908 
1 1 1   16   40   19 o   34.478   14.543   7.9074   21.432   7.1984   21.606   51.511  169.438   34.284   14.540   61.631   30.422 -27.34674 33.71761 
1 1 1   16   40   20 o   43.063   16.465   24.515   24.695   26.421   25.028 -45.7328  151.951   44.033   16.637   55.848   27.782 -11.81464 32.38256 
1 1 1   16   40   21 o   77.058   19.082   96.412   36.527  104.990   37.633 -43.1161  151.779   80.639   19.000   56.235   27.940 24.40396 33.78846 
1 1 1   16   40   22 o   37.358   13.904   17.449   17.345   14.992   17.449  221.074  158.839   35.999   13.822   75.851   35.169 -39.85186 37.78774 
1 1 1   16   40   23 o   55.670   28.079 -122.5637  183.037   0.0000   0.0000 -122.5637  183.037  ?   ?    55.670   28.079 0.000000 28.07922 
1 1 1   16   40   24 o   66.069   33.203   98.435  243.637   0.0000   0.0000   98.435  243.637  ?   ?    66.069   33.203 0.000000 33.20268 
1 1 1   17  -25    0 o   66.724   25.519   65.139   59.333 -23.9133  151.272   81.330   64.501   67.471   32.197   71.902   26.802 -4.430733 41.89246 
1 1 1   17  -24    0 o   50.120   21.846   7.2771   51.386 -49.7665  130.473   17.750   55.904   63.626   30.232   54.150   23.187 9.476540 38.10006 
1 1 1   17  -24    1 o   72.400   26.134   80.569   60.536  170.034  152.762   63.902   65.933   91.132   38.655   67.825   26.636 23.30723 46.94388 
1 1 1   17  -24    2 o   61.523   24.631   47.396   57.418  128.683  147.868   32.964   62.307   83.926   36.807   58.828   24.805 25.09795 44.38552 
1 1 1   17  -23    0 o   67.105   24.831   61.002   55.160  -0.1037  128.167   74.893   61.109   70.095   32.171   72.282   26.232 -2.187592 41.51036 
1 1 1   17  -23    1 o   59.668   23.853   39.137   53.767   35.400  132.602   39.872   58.819   74.302   33.561   61.094   24.763 13.20769 41.70802 
1 1 1   17  -23    2 o   44.014   20.343 -25.7605   52.524   49.308  142.510 -37.5608   56.502   76.317   34.602   43.817   20.533 32.50002 40.23603 
1 1 1   17  -23    3 o   63.246   24.787   51.615   56.991  149.413  141.819   32.780   62.238   88.803   37.433   59.337   24.893 29.46663 44.95421 
1 1 1   17  -23    4 o  141.527   23.530  305.141   80.241  270.276  163.810  316.148   92.039  104.896   41.732  139.812   27.342 -34.91585 49.89132 
1 1 1   17  -22    0 o   48.345   18.160   25.541   29.722   35.253   49.214   19.964   37.291   58.378   22.985   49.196   19.795 9.182236 30.33406 
1 1 1   17  -22    1 o   69.541   24.998   66.344   55.321   26.556  126.866   75.686   61.474   74.418   33.283   73.303   26.352 1.115311 42.45214 
1 1 1   17  -22    2 o   53.222   22.376   17.954   50.459 -17.9870  126.466   24.759   55.029   68.093   31.505   56.550   23.541 11.54363 39.32825 
1 1 1   17  -22    3 o   56.875   23.367   29.248   53.256   67.988  133.064   21.859   58.113   79.062   34.789   56.442   23.886 22.61983 42.19976 
1 1 1   17  -22    4 o   74.064   25.732   83.014   58.225   82.812  135.247   83.060   64.509   80.254   35.199   74.256   26.952 5.998230 44.33229 
1 1 1   17  -22    5 o   43.900   20.275 -24.3250   52.025 -99.1771  134.286 -11.1059   56.433   60.094   29.095   48.145   21.807 11.94860 36.36018 
1 1 1   17  -22    6 o   57.835   23.956   33.566   56.580   64.492  135.794   27.069   62.240   75.654   34.087   57.684   24.577 17.97035 42.02290 
1 1 1   17  -21    0 o   51.637   18.453   31.708   30.104   10.314   50.251   43.685   37.598   52.251   22.167   58.958   20.666 -6.707748 30.30643 
1 1 1   17  -21    1 o   59.686   18.655   48.067   30.865   36.979   51.099   54.437   38.729   59.911   23.473   63.627   20.995 -3.715839 31.49209 
1 1 1   17  -21    2 o   78.731   17.810   85.936   34.198   35.195   54.528  118.834   43.906   60.064   24.018   92.049   19.696 -31.98458 31.06140 
1 1 1   17  -21    3 o   69.603   18.343   67.952   32.332   83.369   51.445   57.887   41.566   75.742   24.137   64.902   21.761 10.83996 32.49807 
1 1 1   17  -21    4 o   52.220   22.310   12.152   51.539 -16.8990  122.382   18.415   56.824   67.595   31.175   55.638   23.587 11.95636 39.09217 
1 1 1   17  -21    5 o   53.304   22.575   17.047   51.971   38.124  128.898   12.956   56.791   74.721   33.474   53.983   23.249 20.73732 40.75576 
1 1 1   17  -21    6 o   70.490   25.479   72.298   57.563  157.553  131.243   51.991   64.053   92.414   37.153   65.262   26.054 27.15227 45.37817 
1 1 1   17  -21    7 o   80.084   26.273  101.792   60.685  137.888  139.378   93.349   67.409   87.556   37.019   76.995   27.603 10.56124 46.17720 
1 1 1   17  -21    8 o   81.659   26.636  108.608   62.404   74.046  140.052  117.170   69.706   77.305   34.743   83.710   28.179 -6.405510 44.73464 
1 1 1   17  -20    0 f   49.634   18.688   25.402   31.510   40.328   55.417   18.271   38.305   63.139   24.526   49.847   20.061 13.29205 31.68486 
1 1 1   17  -20    1 o   47.633   17.931   23.399   29.006  -6.6387   48.581   40.040   36.159   47.637   20.989   57.317   20.252 -9.680859 29.16613 
1 1 1   17  -20    2 o   89.305   16.187  107.256   34.769   48.483   55.754  144.658   44.477   65.210   24.786  103.334   17.884 -38.12464 30.56397 
1 1 1   17  -20    3 o   54.197   18.612   37.091   30.419  -9.9238   48.969   66.630   38.816   46.737   20.807   69.274   20.783 -22.53689 29.40857 
1 1 1   17  -20    4 o   49.142   18.313   26.742   30.108   52.762   49.768   11.723   37.812   64.616   23.639   46.854   19.510 17.76197 30.65030 
1 1 1   17  -20    5 o  101.299   14.806  137.396   36.347   80.551   56.193  178.287   47.660   74.895   25.301  114.380   17.220 -39.48493 30.60457 
1 1 1   17  -20    6 o   40.010   18.824 -40.5496   48.291 -83.2231  120.740 -32.4235   52.688   60.406   28.809   43.514   20.204 16.89241 35.18702 
1 1 1   17  -20    7 o   48.467   21.499  -3.3605   51.820   28.690  125.177  -9.9894   56.927   72.979   32.818   49.192   22.126 23.78706 39.58020 
1 1 1   17  -20    8 o  133.951   22.626  264.249   72.988  337.244  143.800  238.919   84.710  128.895   40.262  121.922   28.358 6.972427 49.24640 
1 1 1   17  -20    9 o   40.613   19.181 -41.6510   51.028 -164.1699  128.540 -18.7302   55.597   54.287   26.739   46.449   21.271 7.838081 34.16765 
1 1 1   17  -20   10 o   53.675   23.055   17.911   55.573   40.100  134.003   13.302   61.073   72.546   33.147   54.337   23.747 18.20879 40.77521 
1 1 1   17  -19    0 o   92.532   15.629  113.064   34.827  109.069   57.236  115.413   43.886   88.509   24.867   92.250   19.652 -3.741379 31.69526 
1 1 1   17  -19    1 o   79.924   20.550   87.632   41.244   82.867   60.807   91.691   56.129   78.648   26.320   81.525   25.103 -2.876915 36.37191 
1 1 1   17  -19    2 o   72.051   20.922   70.951   39.870   29.453   59.109  105.591   54.005   61.305   24.832   86.702   24.083 -25.39702 34.59249 
1 1 1   17  -19    3 o   49.288   18.024   27.020   28.928 -18.7860   48.015   53.120   36.244   44.760   20.208   63.286   20.269 -18.52603 28.62208 
1 1 1   17  -19    4 o   78.606   17.474   84.330   33.412   68.349   53.205   94.735   42.933   71.573   24.613   82.335   20.858 -10.76113 32.26165 
1 1 1   17  -19    5 o   69.819   18.333   67.333   32.372   69.203   52.560   66.190   41.090   71.426   24.467   69.208   21.506 2.217934 32.57558 
1 1 1   17  -19    6 o  106.868   14.274  151.323   37.141  140.406   57.802  159.000   48.472   98.268   23.806  107.485   18.740 -9.217545 30.29740 
1 1 1   17  -19    7 o   67.056   18.532   62.901   32.065   42.425   49.507   77.697   42.084   60.686   23.287   73.681   21.524 -12.99493 31.71048 
1 1 1   17  -19    8 o   41.914   19.476 -31.7186   49.107 -44.9612  120.040 -29.0569   53.816   64.044   29.985   44.618   20.611 19.42591 36.38587 
1 1 1   17  -19    9 o   91.154   26.265  129.465   63.053  166.904  133.402  118.695   71.550   95.691   37.789   86.374   28.538 9.317696 47.35453 
1 1 1   17  -19   10 o   64.176   24.776   53.072   56.287  175.716  131.614   25.620   62.268   95.766   37.625   58.232   24.689 37.53372 45.00230 
1 1 1   17  -19   11 o   67.847   25.462   65.612   58.404   79.962  131.217   62.067   65.220   78.432   34.528   67.604   26.510 10.82790 43.53142 
1 1 1   17  -19   12 o   76.733   26.629   94.668   62.348  234.941  135.607   57.068   70.209  103.367   38.797   66.336   26.993 37.03115 47.26320 
1 1 1   17  -18    0 o   34.379   15.419 -11.5755   27.434 -29.1670   45.581  -1.5832   34.353   41.876   19.207   41.869   18.056 0.7339478E-02 26.36171 
1 1 1   17  -18    1 o   86.026   15.984   97.953   33.073  148.826   53.779   67.009   41.942  104.765   21.283   70.947   21.676 33.81814 30.37751 
1 1 1   17  -18    2 o   65.756   18.224   58.006   30.960   49.060   51.288   63.135   38.833   65.448   23.989   68.770   20.823 -3.321938 31.76605 
1 1 1   17  -18    3 o  151.230   12.270  293.270   45.937  263.561   71.073  314.585   60.202  139.839   21.002  155.389   15.731 -15.54988 26.24022 
1 1 1   17  -18    4 o  204.647   15.250  543.886   77.375  456.950  110.264  628.223  108.604  181.764   24.951  216.913   20.285 -35.14925 32.15656 
1 1 1   17  -18    5 o   64.430   18.242   56.259   30.678   59.456   50.673   54.410   38.545   68.291   23.989   64.226   20.933 4.064400 31.83789 
1 1 1   17  -18    6 o  129.268   12.741  216.704   40.595  184.100   64.011  238.639   52.503  114.308   23.217  134.348   15.962 -20.03956 28.17482 
1 1 1   17  -18    7 o   66.005   18.475   59.957   31.656   97.270   50.852   36.349   40.449   82.418   23.539   56.695   21.207 25.72305 31.68282 
1 1 1   17  -18    8 o  147.540   12.203  282.604   44.557  279.056   67.446  285.352   59.353  142.585   19.450  145.970   16.577 -3.385147 25.55545 
1 1 1   17  -18    9 o  149.379   12.263  290.747   45.340  272.356   68.575  305.030   60.435  139.739   20.241  150.678   16.322 -10.93878 26.00230 
1 1 1   17  -18   10 o  107.494   24.617  173.036   64.657  114.546  131.186  191.803   74.310   87.587   36.394  111.500   26.980 -23.91290 45.30426 
1 1 1   17  -18   11 o  102.722   25.357  162.088   64.651  215.382  133.251  145.680   73.936  105.209   38.652   94.874   28.734 10.33513 48.16187 
1 1 1   17  -18   12 o  107.993   25.447  181.160   67.499  211.912  135.103  170.930   77.920  102.350   38.659  101.505   29.184 0.8451538 48.43787 
1 1 1   17  -18   13 o   51.261   22.974  -2.8616   60.786   0.0000   0.0000  -2.8616   60.786  ?   ?    51.261   22.974 0.000000 22.97445 
1 1 1   17  -18   14 f   70.544   32.427   30.583  130.892   30.583  130.892   0.0000   0.0000   70.544   32.427  ?   ?  0.000000 32.42678 
1 1 1   17  -17    0 o  130.085   12.398  216.135   39.787  210.639   62.424  219.895   51.634  126.018   20.544  130.205   16.233 -4.186691 26.18354 
1 1 1   17  -17    1 o   69.666   17.941   64.828   31.401   46.591   50.273   76.495   40.209   64.827   23.752   75.470   20.709 -10.64360 31.51252 
1 1 1   17  -17    2 o  154.557   11.727  304.225   44.922  258.183   69.838  336.720   58.671  139.399   20.690  161.780   14.683 -22.38118 25.37051 
1 1 1   17  -17    3 o  186.237   11.460  441.111   53.036  437.978   81.211  443.441   70.033  183.169   17.987  185.438   15.259 -2.269104 23.58722 
1 1 1   17  -17    4 o  253.904   11.932  819.149   75.657  660.225  112.010  952.490  102.599  223.539   20.287  271.957   15.168 -48.41733 25.33004 
1 1 1   17  -17    5 o  109.616   13.600  155.949   36.429  119.018   58.116  179.852   46.754   92.224   24.728  116.865   16.478 -24.64098 29.71546 
1 1 1   17  -17    6 o   95.688   18.756  123.916   43.216  144.612   62.968  105.487   59.418  101.112   25.064   86.625   25.652 14.48766 35.86382 
1 1 1   17  -17    7 o   92.078   15.381  112.597   34.119  133.070   54.155   99.122   43.936   97.437   22.681   84.507   20.929 12.92990 30.86217 
1 1 1   17  -17    8 o   73.433   17.624   73.804   31.908  175.639   51.039   8.4668   40.882  113.837   18.596   47.717   20.105 66.12065 27.38666 
1 1 1   17  -17    9 o   95.413   15.218  121.562   35.041  125.546   53.182  118.506   46.582   93.654   22.925   91.857   20.792 1.797699 30.94936 
1 1 1   17  -17   10 o   61.407   18.374   51.747   30.367   80.149   45.743   29.366   40.605   74.926   22.580   53.862   20.974 21.06437 30.81821 
1 1 1   17  -17   11 o   91.036   15.744  112.524   34.497   97.185   50.324  126.121   47.381   81.326   23.474   93.997   20.741 -12.67182 31.32464 
1 1 1   17  -17   12 o  157.631   21.053  352.432   80.799  282.713  150.672  380.574   95.728  118.565   41.382  160.488   24.676 -41.92298 48.18043 
1 1 1   17  -17   13 o   55.290   23.401   20.426   55.784   33.763  124.803   17.096   62.361   73.101   32.830   56.580   24.364 16.52170 40.88331 
1 1 1   17  -17   14 o   66.764   25.446   60.978   58.863  138.955  128.679   40.344   66.195   88.377   36.318   62.490   25.900 25.88722 44.60701 
1 1 1   17  -17   15 o   77.556   26.771   96.171   62.975  212.044  137.001   65.129   70.911   99.566   38.593   68.777   27.427 30.78882 47.34681 
1 1 1   17  -17   16 f   80.211   27.147  107.336   64.695   37.792  136.780  127.378   73.428   71.527   32.977   85.605   28.922 -14.07887 43.86302 
1 1 1   17  -16    0 o  100.001   22.261  134.567   54.160   84.414  106.299  152.151   62.943   89.159   34.144  105.925   24.311 -16.76647 41.91410 
1 1 1   17  -16    1 o  130.762   19.271  224.428   61.041  263.936  114.833  208.868   72.065  136.404   33.868  124.463   24.057 11.94109 41.54246 
1 1 1   17  -16    2 f  238.518   11.539  718.820   68.728  657.722  101.890  769.828   93.097  225.498   18.251  245.307   15.273 -19.80849 23.79836 
1 1 1   17  -16    3 o   93.027   15.026  112.993   33.716  109.667   53.972  115.121   43.177   89.717   23.727   92.800   19.262 -3.083702 30.56121 
1 1 1   17  -16    4 o  194.779   11.240  481.397   54.441  436.683   82.719  515.567   72.310  183.049   18.343  200.540   14.538 -17.49121 23.40559 
1 1 1   17  -16    5 o   79.210   16.748   83.644   32.092   99.211   52.486   74.349   40.557   85.128   23.776   74.265   20.956 10.86217 31.69328 
1 1 1   17  -16    6 o  134.487   12.241  231.790   40.662  242.935   64.351  224.382   52.462  135.103   19.650  130.983   16.399 4.120514 25.59332 
1 1 1   17  -16    7 o   55.045   18.322   38.012   29.471   7.0821   46.881   58.222   37.896   50.673   21.450   66.269   20.663 -15.59543 29.78367 
1 1 1   17  -16    8 o   77.071   20.440   81.632   39.983  102.442   57.834   62.581   55.336   85.439   25.309   70.559   25.040 14.87934 35.60274 
1 1 1   17  -16    9 o   50.136   18.156   28.601   29.250   42.577   45.785   18.962   38.021   60.985   22.611   49.876   20.016 11.10893 30.19797 
1 1 1   17  -16   10 o  140.604   12.205  255.509   42.428  267.621   64.288  246.163   56.473  140.825   18.747  135.868   17.018 4.957489 25.31887 
1 1 1   17  -16   11 o   99.171   14.806  130.869   35.543   95.787   53.225  159.106   47.750   81.495   24.311  107.895   18.381 -26.39921 30.47820 
1 1 1   17  -16   12 o  132.370   17.538  237.783   56.545   0.0000   0.0000  237.783   56.545  ?   ?   132.370   17.538 0.000000 17.53821 
1 1 1   17  -16   13 o  156.521   17.616  333.870   67.657  333.870   67.657   0.0000   0.0000  156.521   17.616  ?   ?  0.000000 17.61584 
1 1 1   17  -16   14 o   76.807   26.145   88.444   60.009   17.329  127.838  108.543   67.962   72.199   32.750   83.461   27.824 -11.26117 42.97404 
1 1 1   17  -16   15 o  126.793   23.448  239.384   71.508  200.227  136.959  254.058   83.844  100.574   38.698  127.190   27.220 -26.61572 47.31279 
1 1 1   17  -16   16 o   46.373   21.216 -18.1736   55.130   4.8945  127.166 -23.5126   61.177   68.603   31.688   47.861   22.062 20.74156 38.61205 
1 1 1   17  -16   17 o   54.626   23.568   18.383   58.579  142.313  131.636 -12.2197   65.413   86.477   36.237   50.847   23.204 35.62996 43.02969 
1 1 1   17  -16   18 o   47.347   21.754 -16.1460   58.822 -164.1646  138.273   16.560   64.997   54.866   27.156   55.398   24.347 -0.5317612 36.47183 
1 1 1   17  -15    0 o  116.084   12.732  172.205   36.303  185.054   56.842  163.354   47.178  118.566   19.903  111.904   17.452 6.661552 26.47111 
1 1 1   17  -15    1 o  124.526   12.284  197.660   37.703  179.117   58.936  210.505   49.053  116.199   21.087  127.751   15.707 -11.55145 26.29439 
1 1 1   17  -15    2 o  155.150   17.924  311.940   68.168  239.101  117.866  348.549   83.561  129.799   35.390  163.056   21.011 -33.25742 41.15699 
1 1 1   17  -15    3 o  260.776   17.415  874.097  112.753  879.453  174.640  870.268  147.649  256.103   27.751  257.384   23.222 -1.281647 36.18561 
1 1 1   17  -15    4 o  226.095   11.465  647.283   64.522  579.730   96.332  702.245   86.892  211.600   18.414  234.412   14.922 -22.81229 23.70108 
1 1 1   17  -15    5 o  305.509   12.491  1182.63   95.296  1119.17  138.722  1239.33  131.135  293.848   19.007  310.410   16.982 -16.56226 25.48789 
1 1 1   17  -15    6 o   97.362   14.375  123.286   33.900  129.427   54.490  119.409   43.300   97.428   22.801   94.510   19.005 2.918098 29.68275 
1 1 1   17  -15    7 o   76.645   16.860   78.470   31.392   71.534   51.144   82.662   39.764   73.967   24.113   78.134   20.223 -4.166519 31.47041 
1 1 1   17  -15    8 o  245.934   11.554  767.803   70.960  741.753  106.139  788.857   95.420  238.378   17.962  247.207   15.536 -8.829300 23.74892 
1 1 1   17  -15    9 o  250.959   11.814  801.643   74.035  817.970  110.005  788.126  100.097  249.992   17.736  246.205   16.374 3.786621 24.13898 
1 1 1   17  -15   10 o   92.681   18.811  116.670   42.049  107.592   58.539  126.345   60.437   87.289   25.353   94.337   25.184 -7.047813 35.73504 
1 1 1   17  -15   11 o  110.294   13.912  159.209   37.465  163.277   57.260  156.164   49.543  108.318   21.921  107.092   19.232 1.225708 29.16204 
1 1 1   17  -15   12 o  172.876   11.745  384.874   50.403  316.614   75.364  440.113   67.796  152.169   20.342  183.240   14.946 -31.07117 25.24271 
1 1 1   17  -15   13 o  212.087   11.833  580.649   62.422  592.083   91.958  570.878   85.007  210.011   17.700  207.078   16.578 2.932663 24.25064 
1 1 1   17  -15   14 o  138.770   12.468  251.437   42.746  289.911   62.086  216.762   58.941  146.251   17.337  124.928   19.533 21.32298 26.11755 
1 1 1   17  -15   15 f   83.564   16.742   96.550   33.719  111.049   46.166   79.971   49.365   87.471   21.328   73.977   23.651 13.49377 31.84737 
1 1 1   17  -15   16 o  142.516   21.869  293.552   75.343  335.333  141.410  276.990   89.032  131.089   39.746  133.086   27.691 -1.997116 48.44064 
1 1 1   17  -15   17 o  132.722   22.728  260.497   72.619  477.330  145.120  188.064   83.875  161.858   36.744  105.569   30.257 56.28944 47.59845 
1 1 1   17  -15   18 o  104.363   26.215  174.466   68.231  274.726  141.596  144.145   77.868  111.923   40.019   91.608   29.747 20.31538 49.86385 
1 1 1   17  -15   19 o  148.739   23.297  338.018   83.692  413.077  162.120  310.748   97.719  131.317   42.936  134.728   29.832 -3.410797 52.28291 
1 1 1   17  -15   20 o   49.690   22.526  -4.1085   60.359 -43.3234  139.019   5.0012   67.004   62.653   30.152   53.350   23.999 9.303719 38.53689 
1 1 1   17  -14    0 o  363.622   13.428  1671.01  121.928  1617.52  175.000  1721.46  169.973  354.734   19.835  366.599   18.628 -11.86533 27.21074 
1 1 1   17  -14    1 o  241.477   11.322  734.559   68.272  661.558  100.112  798.025   93.345  227.044   17.800  250.434   14.995 -23.38936 23.27417 
1 1 1   17  -14    2 o  211.693   11.084  565.985   58.392  558.236   86.888  572.367   78.853  208.701   16.815  211.893   14.999 -3.192596 22.53218 
1 1 1   17  -14    3 o  174.828   11.169  386.706   48.505  354.705   73.182  411.777   64.777  165.658   17.979  179.621   14.567 -13.96309 23.13964 
1 1 1   17  -14    4 o  118.528   12.691  179.568   36.979  149.047   58.108  200.341   47.938  105.271   22.767  124.533   15.768 -19.26186 27.69421 
1 1 1   17  -14    5 o   67.141   23.294   54.024   47.710  171.486   99.711   19.148   54.333  110.988   33.313   57.973   23.685 53.01501 40.87507 
1 1 1   17  -14    6 o  224.674   17.073  649.897   95.072  660.641  151.374  642.897  122.176  221.089   28.049  221.068   22.442 0.2119446E-01 35.92210 
1 1 1   17  -14    7 o  116.854   12.719  175.063   36.514  255.725   59.123  125.324   46.427  140.175   17.255   96.755   19.880 43.41953 26.32371 
1 1 1   17  -14    8 o   60.486   18.133   47.884   29.556   48.772   48.893   47.372   37.104   65.109   23.489   61.596   20.560 3.512928 31.21639 
1 1 1   17  -14    9 o  164.512   11.638  344.835   47.502  307.690   73.517  371.458   62.239  152.482   19.773  169.741   14.832 -17.25900 24.71745 
1 1 1   17  -14   10 o   49.728   18.098   27.147   29.117   8.2190   47.084   38.867   37.050   51.168   21.569   57.582   20.483 -6.413944 29.74504 
1 1 1   17  -14   11 o  121.342   17.152  194.874   50.523   0.0000   0.0000  194.874   50.523  ?   ?   121.342   17.152 0.000000 17.15155 
1 1 1   17  -14   12 o  101.438   24.409  145.796   61.082  145.796   61.082   0.0000   0.0000  101.438   24.409  ?   ?  0.000000 24.40946 
1 1 1   17  -14   13 o  152.402   12.041  299.404   45.451  389.372   67.856  226.196   61.210  171.974   15.984  128.969   19.625 43.00494 25.31032 
1 1 1   17  -14   14 o  201.935   11.523  524.727   57.868  516.310   85.520  531.836   78.593  196.485   17.617  200.720   15.808 -4.235199 23.66932 
1 1 1   17  -14   15 o  144.779   12.044  272.233   43.149  304.589   62.867  243.417   59.329  150.412   17.038  133.583   18.264 16.82870 24.97725 
1 1 1   17  -14   16 o  180.756   11.652  423.894   52.317  438.852   75.646  410.179   72.433  180.202   17.012  174.299   16.852 5.903015 23.94517 
1 1 1   17  -14   17 o   86.435   15.944  102.556   33.147   98.940   44.018  107.293   50.377   82.339   21.261   84.847   23.138 -2.507774 31.42258 
1 1 1   17  -14   18 o  154.887   21.245  345.022   80.006  371.419  148.218  334.167   95.042  136.307   40.549  146.885   26.903 -10.57817 48.66165 
1 1 1   17  -14   19 o  116.762   24.944  210.617   70.523  244.231  136.923  198.480   82.276  107.684   39.238  108.734   29.536 -1.049248 49.11182 
1 1 1   17  -14   20 o   96.686   27.447  155.763   69.354  269.818  143.952  121.286   79.145  108.618   40.129   83.790   29.923 24.82816 50.05719 
1 1 1   17  -14   21 o   57.886   24.601   31.927   62.071  144.906  142.182   5.3251   68.993   84.120   36.505   54.276   24.390 29.84454 43.90286 
1 1 1   17  -14   22 o   68.970   27.587   76.796   71.960   0.0000   0.0000   76.796   71.960  ?   ?    68.970   27.587 0.000000 27.58740 
1 1 1   17  -13    0 o  271.538   11.415  928.185   77.406  951.728  112.641  907.120  106.550  273.251   16.586  266.918   16.060 6.332703 23.08744 
1 1 1   17  -13    1 o  142.319   11.498  256.681   40.514  247.128   61.765  263.896   53.674  138.055   18.372  143.543   15.205 -5.487823 23.84823 
1 1 1   17  -13    2 o  513.110   16.935  3350.20  216.993  3407.30  309.112  3294.72  304.686  512.516   24.152  503.931   24.212 8.585541 34.19872 
1 1 1   17  -13    3 o  144.379   11.435  264.210   40.891  284.099   63.049  249.770   53.722  148.370   17.344  139.422   15.703 8.947937 23.39704 
1 1 1   17  -13    4 o  197.674   10.933  493.507   53.758  490.267   80.274  496.140   72.387  195.585   16.592  197.275   14.802 -1.690155 22.23509 
1 1 1   17  -13    5 o  256.268   11.546  828.113   73.888  822.299  108.692  833.107  100.746  253.281   17.288  255.464   15.871 -2.183548 23.46829 
1 1 1   17  -13    6 o  186.027   10.808  437.461   49.991  506.890   76.365  385.394   66.131  199.062   15.484  173.435   15.430 25.62787 21.85978 
1 1 1   17  -13    7 o  224.777   17.081  649.562   95.163  597.219  149.310  685.369  123.495  209.774   29.303  228.867   21.875 -19.09290 36.56702 
1 1 1   17  -13    8 f  180.801   17.273  422.496   77.038  413.030  128.586  427.797   96.218  172.627   30.966  180.165   21.832 -7.537659 37.88885 
1 1 1   17  -13    9 o  343.315   13.050  1496.02  111.882  1555.59  162.618  1442.48  154.171  346.566   18.861  333.881   18.564 12.68420 26.46469 
1 1 1   17  -13   10 o  155.742   11.625  308.881   44.887  262.822   68.814  342.992   59.220  140.816   20.143  163.247   14.684 -22.43103 24.92721 
1 1 1   17  -13   11 o   88.956   15.596  104.399   33.382  104.849   52.554  104.094   43.221   87.247   23.566   87.565   20.180 -0.3185883 31.02574 
1 1 1   17  -13   12 o  121.567   12.843  190.574   38.397  167.129   58.234  208.606   51.072  110.543   21.870  125.959   16.645 -15.41550 27.48362 
1 1 1   17  -13   13 o  237.753   11.783  720.704   69.955  685.359  103.221  750.730   95.137  227.933   18.289  240.128   15.956 -12.19427 24.27101 
1 1 1   17  -13   14 o  240.599   15.348  754.770   91.733  660.626  126.746  858.330  132.934  218.890   23.559  251.800   21.342 -32.90967 31.78834 
1 1 1   17  -13   15 o  100.939   14.011  134.286   34.364  171.648   50.129  101.163   47.200  112.358   18.511   84.507   22.111 27.85109 28.83708 
1 1 1   17  -13   16 o  211.821   11.448  578.001   60.331  538.008   87.688  613.948   83.136  200.108   17.732  215.580   15.547 -15.47211 23.58226 
1 1 1   17  -13   17 o  114.115   13.347  171.732   37.316  207.831   52.997  136.236   52.552  123.355   17.713   97.129   22.157 26.22602 28.36658 
1 1 1   17  -13   18 o  147.210   12.287  283.458   44.755  338.805   63.011  227.108   63.579  158.521   16.143  126.443   20.864 32.07778 26.37972 
1 1 1   17  -13   19 o  181.805   15.130  443.297   68.065  474.336  152.368  435.559   76.078  160.668   38.483  178.350   17.299 -17.68213 42.19298 
1 1 1   17  -13   20 o   93.398   26.511  138.968   64.710  130.503  133.664  141.560   73.955   87.284   36.541   92.524   28.869 -5.239960 46.56901 
1 1 1   17  -13   21 o   70.922   25.948   76.000   59.963  205.385  122.811   35.501   68.710  100.154   37.052   61.308   25.960 38.84640 45.24184 
1 1 1   17  -13   22 o  108.575   26.341  193.354   70.688  296.062  137.215  156.248   82.474  113.844   39.504   92.611   30.641 21.23277 49.99454 
1 1 1   17  -13   23 o   56.302   24.050   29.695   59.872  -8.8760  130.189   40.040   67.426   63.890   30.311   60.181   25.609 3.708740 39.68117 
1 1 1   17  -12    0 o   92.814   18.624  113.496   41.664  110.869   56.559  116.613   61.607   91.049   24.387   93.323   25.645 -2.274414 35.38880 
1 1 1   17  -12    1 o  106.455   12.639  144.820   32.943  182.111   51.043  118.199   43.127  118.393   17.817   94.683   18.902 23.71046 25.97563 
1 1 1   17  -12    2 o  285.809   11.628  1028.54   82.994  1033.42  120.666  1024.17  114.334  284.636   17.055  283.644   16.209 0.9916992 23.52870 
1 1 1   17  -12    3 o  466.075   15.779  2755.61  183.650  2749.89  261.816  2761.15  257.675  461.720   22.707  462.934   22.290 -1.214508 31.81908 
1 1 1   17  -12    4 f  212.329   10.736  568.624   56.738  656.287   84.598  496.957   76.491  227.105   15.002  197.319   15.652 29.78542 21.68026 
1 1 1   17  -12    5 o  419.093   14.709  2225.53  153.936  2196.04  220.211  2253.71  215.270  412.421   21.456  418.817   20.583 -6.395752 29.73251 
1 1 1   17  -12    6 o  130.308   11.762  215.786   37.862  216.261   58.951  215.453   49.396  128.721   18.903  129.359   15.607 -0.6376801 24.51282 
1 1 1   17  -12    7 o  255.896   11.541  825.727   73.748  786.836  108.044  859.653  100.911  247.616   17.588  259.592   15.640 -11.97638 23.53552 
1 1 1   17  -12    8 o  167.863   11.216  356.853   46.746  359.729   71.697  354.726   61.651  166.901   17.461  166.445   14.993 0.4552765 23.01502 
1 1 1   17  -12    9 o  307.076   14.297  1197.68  109.636  1297.35  206.378  1158.50  129.407  312.125   26.736  300.360   17.327 11.76474 31.85944 
1 1 1   17  -12   10 o  270.348   23.781  965.964  158.913   0.0000   0.0000  965.964  158.913  ?   ?   270.348   23.781 0.000000 23.78078 
1 1 1   17  -12   11 o  101.618   22.722  140.448   56.213  140.448   56.213   0.0000   0.0000  101.618   22.722  ?   ?  0.000000 22.72214 
1 1 1   17  -12   12 o  146.301   11.530  272.859   41.783  321.566   64.192  237.054   55.038  157.264   16.596  134.750   16.715 22.51369 23.55499 
1 1 1   17  -12   13 o  182.428   11.195  423.653   50.753  372.064   76.343  464.510   67.940  168.132   18.489  189.876   14.437 -21.74428 23.45741 
1 1 1   17  -12   14 o  107.717   13.453  150.743   35.399  145.089   53.406  155.173   47.275  102.782   21.499  107.658   18.236 -4.875191 28.19103 
1 1 1   17  -12   15 f   88.697   15.192  104.448   32.438  133.978   48.764   81.010   43.444   98.714   20.454   76.492   21.726 22.22205 29.83944 
1 1 1   17  -12   16 o  238.065   15.421  741.542   91.183  694.185  125.358  794.749  132.874  224.500   22.671  240.604   22.371 -16.10384 31.85071 
1 1 1   17  -12   17 o  127.644   12.552  211.996   39.492  247.668   56.714  178.419   55.024  135.845   17.097  113.475   20.156 22.37008 26.43068 
1 1 1   17  -12   18 o   73.407   16.984   74.426   30.515   94.702   40.991   49.221   45.702   81.723   20.201   62.342   22.676 19.38107 30.36952 
1 1 1   17  -12   19 o  143.284   12.323  268.302   43.664  292.445   61.028  242.983   62.497  146.831   16.956  132.022   19.548 14.80942 25.87692 
1 1 1   17  -12   20 o  109.944   13.680  161.065   36.747  153.273   48.236  171.840   56.726  104.171   19.252  108.873   21.627 -4.702370 28.95429 
1 1 1   17  -12   21 o  128.016   17.943  228.252   55.785  324.059  132.046  207.437   61.548  129.952   38.174  119.433   21.424 10.51844 43.77437 
1 1 1   17  -12   22 o  100.381   25.149  158.337   62.910  297.483  129.033  114.949   72.053  121.424   38.173   83.405   28.644 38.01817 47.72507 
1 1 1   17  -12   23 o  118.173   24.555  219.095   70.097  348.531  141.995  177.388   80.602  125.501   40.111  100.293   29.917 25.20854 50.03975 
1 1 1   17  -12   24 o   63.119   25.239   55.297   60.208   69.045  133.436   51.783   67.466   73.054   33.261   63.208   26.168 9.846329 42.32132 
1 1 1   17  -11    0 o  101.655   12.611  132.126   31.326  118.880   48.058  141.911   41.308   94.645   20.893  104.632   16.344 -9.986763 26.52618 
1 1 1   17  -11    1 o  164.350   14.603  343.991   59.306  305.459   81.648  387.025   86.287  152.853   22.027  172.893   20.377 -20.04041 30.00653 
1 1 1   17  -11    2 o  208.330   14.723  551.455   76.099  463.532  106.039  644.823  109.274  188.497   23.005  223.884   19.748 -35.38744 30.31812 
1 1 1   17  -11    3 o  184.045   14.575  430.923   66.440  418.896   93.220  443.341   94.719  179.605   21.193  184.936   20.875 -5.331024 29.74732 
1 1 1   17  -11    4 o  338.312   12.727  1443.44  107.524  1431.34  154.598  1454.79  149.647  334.531   18.579  337.591   17.814 -3.059753 25.73979 
1 1 1   17  -11    5 o  484.815   16.290  2984.56  197.223  2904.47  280.770  3062.58  277.099  473.252   23.834  487.246   22.774 -13.99438 32.96542 
1 1 1   17  -11    6 o  186.501   10.590  438.892   49.115  435.416   73.844  441.651   65.774  184.477   16.193  186.305   14.246 -1.827499 21.56758 
1 1 1   17  -11    7 o  103.946   12.940  138.484   32.863  147.043   51.853  132.738   42.485  105.350   20.447  100.682   17.535 4.668121 26.93643 
1 1 1   17  -11    8 o  138.824   11.515  244.533   39.560  262.267   61.578  232.070   51.621  142.324   17.709  134.292   15.689 8.031815 23.65909 
1 1 1   17  -11    9 o  131.800   12.754  221.525   41.452  233.065   73.042  216.043   50.344  132.343   22.932  129.395   15.916 2.948456 27.91431 
1 1 1   17  -11   10 o  338.966   12.839  1453.63  108.675  1449.21  156.852  1457.72  150.712  335.467   18.799  336.889   17.980 -1.421448 26.01309 
1 1 1   17  -11   11 o  208.231   11.133  548.742   57.682  545.294   88.028  551.336   76.361  205.647   17.302  207.660   14.823 -2.013412 22.78338 
1 1 1   17  -11   12 o  134.822   19.933  239.989   65.085  312.124  120.998  210.621   77.205  147.906   33.533  124.012   25.772 23.89392 42.29243 
1 1 1   17  -11   13 o  218.527   11.382  606.075   61.896  595.495   91.879  614.866   83.751  214.350   17.313  218.640   15.439 -4.290131 23.19670 
1 1 1   17  -11   14 o  135.694   11.890  235.508   39.882  266.750   61.261  212.527   52.542  142.581   17.578  127.280   16.953 15.30099 24.42060 
1 1 1   17  -11   15 o   64.999   17.878   56.818   29.925   68.635   44.497   47.060   40.434   71.577   22.403   61.808   21.445 9.769131 31.01218 
1 1 1   17  -11   16 o   90.154   14.906  107.454   32.386  126.240   48.321   92.133   43.638   95.759   20.802   81.588   21.219 14.17172 29.71486 
1 1 1   17  -11   17 o  134.188   12.243  232.554   40.575  224.070   59.170  240.085   55.747  128.810   18.962  134.369   16.994 -5.559494 25.46305 
1 1 1   17  -11   18 o   74.603   19.145   77.355   35.846   84.252   43.937   63.626   61.989   77.246   21.817   70.953   26.309 6.293472 34.17850 
1 1 1   17  -11   19 o   88.625   15.215  105.684   32.460  152.348   44.018   50.055   48.060  105.828   17.251   63.267   23.217 42.56054 28.92441 
1 1 1   17  -11   20 o  190.175   11.484  468.255   54.283  573.551   77.908  368.907   75.676  207.912   15.109  163.863   18.836 44.04883 24.14711 
1 1 1   17  -11   21 o  244.462   12.127  776.849   74.032  854.034  105.705  702.540  103.717  251.205   16.950  226.056   18.536 25.14920 25.11740 
1 1 1   17  -11   22 o  148.079   11.985  287.378   43.939  316.470   59.404  252.235   65.290  152.870   15.789  133.071   20.290 19.79863 25.70900 
1 1 1   17  -11   23 o   50.294   22.054   5.0494   53.070  227.029  119.620 -49.3493   59.216  107.370   36.906   43.193   20.477 64.17774 42.20610 
1 1 1   17  -11   24 o  104.743   25.857  176.537   67.226  134.622  134.317  190.546   77.652   85.048   36.167  106.039   28.648 -20.99101 46.13840 
1 1 1   17  -11   25 o   76.280   26.345   96.916   60.991  205.325  134.997   69.113   68.366   94.089   37.732   67.947   26.983 26.14267 46.38740 
1 1 1   17  -10    0 o  170.493   10.407  366.407   44.097  380.692   65.274  354.414   59.810  172.872   15.278  166.922   14.492 5.949860 21.05794 
1 1 1   17  -10    1 o   96.077   12.867  118.318   30.095   68.032   45.981  156.001   39.804   72.916   22.765  110.153   14.849 -37.23667 27.17999 
1 1 1   17  -10    2 o  380.821   13.273  1828.70  126.224  1891.03  180.615  1769.19  176.473  385.373   18.768  372.188   19.051 13.18536 26.74307 
1 1 1   17  -10    3 o  265.234   11.240  884.739   74.443  932.125  108.215  842.167  102.570  270.773   16.076  257.340   16.041 13.43231 22.71018 
1 1 1   17  -10    4 o  250.777   15.424  799.061   96.121  772.562  135.403  825.981  136.474  244.221   22.454  252.830   21.830 -8.609039 31.31628 
1 1 1   17  -10    5 o  274.460   15.999  958.122  109.175  879.353  153.601  1038.54  155.205  259.952   23.931  283.482   22.099 -23.53046 32.57365 
1 1 1   17  -10    6 o  235.371   11.010  696.913   64.713  642.976   95.216  743.216   88.221  224.278   17.130  241.940   14.671 -17.66231 22.55434 
1 1 1   17  -10    7 o  214.054   10.657  576.252   56.964  590.342   84.709  564.621   76.966  215.154   15.879  210.702   14.720 4.451553 21.65208 
1 1 1   17  -10    8 o  161.923   10.906  331.410   43.842  322.661   66.974  337.972   57.995  158.326   17.217  162.793   14.415 -4.467178 22.45489 
1 1 1   17  -10    9 o  302.834   14.158  1160.94  107.069  1208.14  203.408  1142.84  125.926  302.374   27.231  299.142   16.927 3.232239 32.06280 
1 1 1   17  -10   10 o  135.151   18.171  237.376   59.774  237.376   59.774   0.0000   0.0000  135.151   18.171  ?   ?  0.000000 18.17128 
1 1 1   17  -10   11 o  159.905   11.226  323.903   44.542  256.509   67.471  375.964   59.301  139.956   19.863  171.698   13.951 -31.74231 24.27263 
1 1 1   17  -10   12 o  212.270   11.075  569.841   58.501  559.484   87.694  578.146   78.529  208.548   16.986  212.739   14.876 -4.191315 22.57930 
1 1 1   17  -10   13 o  174.441   11.311  385.933   49.005  343.895   74.994  417.261   64.739  162.366   18.847  180.539   14.482 -18.17282 23.76784 
1 1 1   17  -10   14 o   92.248   23.576  116.392   54.514   24.847  105.193  150.004   63.741   75.877   32.125  104.442   24.808 -28.56573 40.58865 
1 1 1   17  -10   15 o  189.350   11.142  455.573   52.453  521.857   78.551  402.232   70.465  201.010   15.775  176.164   16.199 24.84668 22.61165 
1 1 1   17  -10   16 o   73.791   16.878   73.151   30.425   76.933   45.817   70.168   40.693   75.319   22.576   72.067   21.197 3.251472 30.96791 
1 1 1   17  -10   17 o  200.364   11.315  512.370   56.383  536.528   82.658  491.348   77.107  202.636   16.478  194.085   16.053 8.550659 23.00485 
1 1 1   17  -10   18 o  111.077   12.539  160.016   34.171  134.919   49.126  183.541   47.563   98.882   20.565  117.486   16.680 -18.60439 26.47930 
1 1 1   17  -10   19 o   62.717   17.133   53.652   27.593   60.745   37.322   45.100   40.978   66.612   20.463   60.337   21.533 6.274940 29.70562 
1 1 1   17  -10   20 o   77.882   18.262   84.204   34.900   74.224   40.814  111.349   67.316   72.547   21.198   86.526   27.614 -13.97905 34.81221 
1 1 1   17  -10   21 o  161.504   11.356  337.545   45.509  335.742   63.500  339.449   65.255  158.189   16.309  158.802   16.706 -0.6130981 23.34668 
1 1 1   17  -10   22 f  141.624   12.214  262.255   42.772  284.542   58.283  236.242   62.966  145.050   16.377  129.591   20.109 15.45900 25.93438 
1 1 1   17  -10   23 o   84.722   15.795   98.695   32.188  133.739   40.355   37.416   53.364   98.261   17.065   59.297   23.743 38.96492 29.23969 
1 1 1   17  -10   24 o  131.118   12.868  228.107   41.592  238.620   54.384  213.295   64.554  131.396   16.971  120.083   22.350 11.31258 28.06319 
1 1 1   17  -10   25 o   60.121   24.217   42.434   55.876   26.773  128.273   46.102   62.074   70.315   32.240   62.344   25.376 7.971500 41.02876 
1 1 1   17  -10   26 o   79.573   26.364  105.704   61.050  168.283  137.045   90.211   68.189   88.147   36.957   74.075   27.569 14.07143 46.10723 
1 1 1   17   -9    0 o  133.783   11.017  226.380   36.478  254.111   54.910  204.474   48.803  140.880   15.886  126.200   15.834 14.67967 22.42949 
1 1 1   17   -9    1 o  335.744   12.219  1418.60  102.447  1485.35  146.760  1355.15  143.076  341.810   17.249  326.319   17.623 15.49100 24.66018 
1 1 1   17   -9    2 o  213.667   10.278  573.277   54.842  595.826   80.477  553.726   74.936  216.645   14.967  208.933   14.451 7.711823 20.80537 
1 1 1   17   -9    3 o  346.799   12.604  1514.79  109.151  1563.23  156.472  1468.87  152.336  350.312   17.947  339.516   18.032 10.79617 25.44131 
1 1 1   17   -9    4 o  247.589   10.828  770.419   66.947  772.344   97.392  768.695   92.178  246.479   15.908  246.118   15.071 0.3611908 21.91330 
1 1 1   17   -9    5 o  338.547   12.521  1443.91  105.853  1417.22  151.821  1469.15  147.662  333.247   18.314  339.642   17.469 -6.395172 25.30951 
1 1 1   17   -9    6 o  166.310   10.651  349.042   44.003  365.330   66.030  336.029   59.018  169.110   15.820  162.382   14.714 6.728027 21.60481 
1 1 1   17   -9    7 o  317.192   17.138  1281.98  135.245  1149.14  190.663  1416.51  191.874  296.380   26.025  330.666   23.388 -34.28601 34.98955 
1 1 1   17   -9    8 o  120.589   15.640  187.255   45.988  169.763   65.956  203.805   64.154  112.571   24.184  124.377   21.429 -11.80657 32.31181 
1 1 1   17   -9    9 o   74.892   19.213   74.386   36.107   56.201   46.718  101.361   56.901   68.069   23.069   87.209   24.897 -19.14056 33.94143 
1 1 1   17   -9   10 o  266.516   11.416  894.640   75.978  945.540  111.455  850.453  103.846  272.250   16.471  258.244   16.185 14.00552 23.09236 
1 1 1   17   -9   11 o  283.582   11.688  1013.74   82.768  1014.36  120.388  1013.19  113.977  281.620   17.201  281.810   16.265 -0.1893616 23.67354 
1 1 1   17   -9   12 o  262.270   11.244  866.950   73.643  969.826  108.459  778.950  100.311  275.710   15.819  246.808   16.369 28.90128 22.76341 
1 1 1   17   -9   13 f  261.461   11.517  862.654   75.197  861.721  110.565  863.457  102.574  259.124   17.184  259.897   15.881 -0.7730408 23.39876 
1 1 1   17   -9   14 o  207.726   11.104  546.106   57.390  541.955   86.358  549.388   76.802  205.094   17.015  207.233   14.941 -2.138885 22.64416 
1 1 1   17   -9   15 o  281.836   12.001  1005.77   84.462  945.043  123.166  1059.68  116.047  270.124   18.368  287.211   16.247 -17.08679 24.52228 
1 1 1   17   -9   16 o   99.251   22.831  134.780   55.408  138.856  102.680  133.105   65.812  100.402   34.199   97.814   26.352 2.587883 43.17379 
1 1 1   17   -9   17 o  337.467   13.024  1452.45  109.754  1474.97  158.228  1431.56  152.368  335.699   18.952  331.063   18.504 4.635345 26.48776 
1 1 1   17   -9   18 o  106.404   12.806  146.627   33.344  138.606   49.195  153.443   45.349  100.867   20.235  107.293   17.531 -6.426521 26.77308 
1 1 1   17   -9   19 o   77.234   15.407   79.867   28.673   69.453   40.306   90.536   40.799   71.203   21.137   80.935   20.240 -9.732307 29.26450 
1 1 1   17   -9   20 o   92.040   14.119  111.991   31.414  135.910   43.434   85.755   45.490  100.002   18.058   78.057   22.253 21.94433 28.65789 
1 1 1   17   -9   21 o  202.794   12.182  531.636   61.404  482.404   96.457  565.183   79.622  187.012   21.019  206.954   15.520 -19.94220 26.12732 
1 1 1   17   -9   22 o  141.568   15.531  267.341   54.003  288.653   66.134  224.697   93.552  145.179   18.675  118.729   31.160 26.44936 36.32790 
1 1 1   17   -9   23 o   74.620   16.103   76.731   29.125   88.167   36.260   55.937   48.896   79.049   18.667   64.912   23.479 14.13667 29.99557 
1 1 1   17   -9   24 o  123.815   13.330  203.195   40.566  246.168   53.697  146.063   61.915  134.563   16.313   97.741   25.204 36.82254 30.02273 
1 1 1   17   -9   25 o   94.502   14.441  121.091   32.997  112.238   40.489  138.599   56.939   88.560   18.885   95.255   23.959 -6.695786 30.50722 
1 1 1   17   -9   26 o   66.616   24.250   64.455   52.280   38.806  126.920   69.697   57.373   71.875   32.614   68.748   25.346 3.127266 41.30525 
1 1 1   17   -9   27 o  132.543   23.469  271.454   74.835  353.491  148.559  243.558   86.628  122.336   41.138  118.580   29.401 3.756165 50.56445 
1 1 1   17   -8    0 o   81.676   13.906   86.377   27.346   63.967   41.330  103.827   36.472   70.559   21.508   89.119   17.009 -18.55997 27.42093 
1 1 1   17   -8    1 o   87.073   13.146   97.578   27.694  112.585   42.075   86.107   36.786   92.516   18.852   80.766   18.620 11.74999 26.49718 
1 1 1   17   -8    2 o  337.550   12.381  1433.94  104.365  1474.37  149.473  1395.47  145.785  340.465   17.641  331.189   17.691 9.275879 24.98403 
1 1 1   17   -8    3 o  140.551   10.646  249.524   37.088  277.657   55.854  227.339   49.601  147.432   15.398  133.300   15.171 14.13258 21.61624 
1 1 1   17   -8    4 o  417.571   14.103  2200.42  147.061  2272.95  209.747  2130.29  206.250  422.190   19.895  408.588   20.214 13.60242 28.36216 
1 1 1   17   -8    5 o  258.646   11.029  840.856   71.234  910.726  103.464  777.888   98.221  267.875   15.534  247.380   15.985 20.49474 22.28951 
1 1 1   17   -8    6 o   42.540   16.283   15.745   24.168   36.636   38.441   2.0898   31.078   57.960   20.838   41.356   17.483 16.60380 27.20036 
1 1 1   17   -8    7 o  180.679   10.546  411.573   47.374  398.496   70.769  422.191   63.770  176.610   16.228  182.317   14.117 -5.707016 21.50887 
1 1 1   17   -8    8 o  260.102   12.941  853.039   84.054  976.002  161.984  807.729   98.328  274.078   23.907  252.056   15.700 22.02184 28.60082 
1 1 1   17   -8    9 o  122.183   15.677  192.125   46.729  207.602   65.152  175.729   67.059  125.561   21.555  114.613   24.190 10.94725 32.40029 
1 1 1   17   -8   10 o  165.371   14.320  348.341   58.551  330.626   83.467  365.503   82.156  159.100   21.564  167.906   19.987 -8.805908 29.40186 
1 1 1   17   -8   11 o   97.487   13.229  122.134   31.374  104.934   49.375  133.781   40.631   88.556   22.331  101.346   16.632 -12.79023 27.84429 
1 1 1   17   -8   12 o  276.376   11.492  962.333   79.317  951.565  115.555  971.925  109.067  272.866   17.044  276.196   15.880 -3.330170 23.29546 
1 1 1   17   -8   13 o  442.632   15.229  2487.37  168.336  2566.54  240.443  2411.25  235.753  445.916   21.593  431.486   21.952 14.42966 30.79191 
1 1 1   17   -8   14 o  127.390   11.637  206.407   36.611  229.268   56.906  190.263   47.821  132.847   17.586  121.204   16.206 11.64272 23.91403 
1 1 1   17   -8   15 o  471.587   15.941  2836.90  187.726  2942.19  268.586  2736.34  262.488  475.171   22.635  457.396   23.055 17.77521 32.30916 
1 1 1   17   -8   16 o  231.598   11.250  677.763   65.066  616.465   95.963  729.923   88.521  218.299   17.758  238.839   14.917 -20.53931 23.19133 
1 1 1   17   -8   17 f  262.697   13.762  881.483   89.968  822.987  174.459  902.676  105.008  244.544   29.142  264.829   15.953 -20.28532 33.22308 
1 1 1   17   -8   18 o  184.326   17.579  443.824   79.933  369.474  133.592  485.286   99.761  158.380   34.734  190.919   21.287 -32.53831 40.73784 
1 1 1   17   -8   19 o  272.801   11.966  947.951   81.513  927.523  118.107  966.533  112.642  266.109   17.877  272.518   16.632 -6.408905 24.41720 
1 1 1   17   -8   20 o  103.255   13.153  138.839   33.144  148.918   47.229  129.058   46.524  104.951   18.707   97.096   19.858 7.855942 27.28126 
1 1 1   17   -8   21 o  131.838   11.851  224.329   38.601  215.210   54.792  233.314   54.389  126.585   17.827  132.364   16.836 -5.779327 24.52048 
1 1 1   17   -8   22 f  215.276   11.269  595.663   60.371  556.941   86.347  632.693   84.439  204.415   17.072  219.119   15.532 -14.70424 23.08020 
1 1 1   17   -8   23 o  120.433   14.597  192.520   43.004  320.516   61.430   69.515   60.220  154.849   16.123   71.746   26.040 83.10299 30.62748 
1 1 1   17   -8   24 o   85.859   17.338  102.091   35.893  108.707   39.904   74.056   82.143   88.006   18.732   75.336   29.684 12.67011 35.10062 
1 1 1   17   -8   25 o  153.313   11.759  306.591   44.676  281.132   59.390  339.777   67.806  143.597   16.885  157.496   17.538 -13.89896 24.34501 
1 1 1   17   -8   26 o   30.458   13.515  -5.0025   20.496 -15.4767   22.562   44.442   49.021   28.908   13.351   60.128   23.147 -31.21985 26.72184 
1 1 1   17   -8   27 o  105.904   14.227  152.102   36.673  163.882   44.827  128.262   63.769  108.137   17.174   88.857   26.634 19.27923 31.69142 
1 1 1   17   -8   28 o  130.249   21.185  252.800   66.537  253.503  148.264  252.622   74.455  102.495   40.031  126.993   24.364 -24.49815 46.86288 
1 1 1   17   -7    0 o  105.390   16.859  143.924   42.874  175.949   77.962  130.040   51.333  114.445   27.600   99.155   21.362 15.28965 34.90112 
1 1 1   17   -7    1 o  374.331   13.200  1764.41  123.393  1848.45  175.926  1683.03  173.114  381.613   18.461  363.440   19.142 18.17276 26.59364 
1 1 1   17   -7    2 o  323.895   12.099  1319.38   97.864  1346.90  139.932  1293.03  136.917  325.604   17.272  319.016   17.251 6.588135 24.41111 
1 1 1   17   -7    3 o   69.695   14.955   63.638   25.250   84.362   38.705   48.284   33.314   79.871   19.561   61.849   19.389 18.02150 27.54208 
1 1 1   17   -7    4 o  482.573   15.755  2944.97  189.863  3084.03  270.149  2809.23  266.895  490.871   22.039  468.071   22.834 22.79968 31.73461 
1 1 1   17   -7    5 o  286.067   11.389  1028.77   81.362  1059.15  117.163  1000.47  113.073  288.791   16.313  280.684   16.201 8.107513 22.99102 
1 1 1   17   -7    6 o  118.574   11.326  178.338   33.127  163.590   50.806  189.245   43.693  111.957   18.841  121.556   14.692 -9.599281 23.89267 
1 1 1   17   -7    7 o   98.901   13.697  125.657   32.920   89.162   57.802  143.178   40.050   82.845   25.469  105.266   15.717 -22.42034 29.92804 
1 1 1   17   -7    8 o  302.878   16.593  1166.41  125.021  1166.41  125.021   0.0000   0.0000  302.878   16.593  ?   ?  0.000000 16.59276 
1 1 1   17   -7    9 o  108.556   11.996  150.120   31.977  136.371   49.029  160.298   42.183  101.669   20.024  111.498   15.576 -9.828629 25.36838 
1 1 1   17   -7   10 o  272.800   11.497  936.493   78.323  903.233  113.436  966.796  108.276  266.120   17.161  275.799   15.787 -9.679138 23.31795 
1 1 1   17   -7   11 o   87.862   14.078   99.912   29.845   97.588   46.230  101.572   39.079   85.557   21.627   87.709   18.428 -2.151237 28.41326 
1 1 1   17   -7   12 o   78.998   18.862   82.795   36.697  106.673   53.473   61.539   50.452   89.257   23.622   70.978   23.973 18.27891 33.65621 
1 1 1   17   -7   13 o  263.561   11.532  875.031   75.899  848.938  111.152  897.827  103.891  257.616   17.380  265.524   15.739 -7.908417 23.44683 
1 1 1   17   -7   14 o  160.726   10.683  326.545   42.632  354.026   65.512  306.359   56.148  166.169   15.985  154.798   14.702 11.37027 21.71757 
1 1 1   17   -7   15 o  102.028   12.569  133.440   31.346  183.254   49.530  100.159   40.485  118.673   17.216   86.744   19.198 31.92970 25.78635 
1 1 1   17   -7   16 o   67.438   17.056   60.369   28.743   68.244   45.109   54.986   37.294   72.396   22.540   65.383   20.517 7.013641 30.47911 
1 1 1   17   -7   17 o   65.424   16.631   56.885   27.230   57.767   42.086   56.250   35.713   67.305   21.870   65.630   19.991 1.674911 29.62992 
1 1 1   17   -7   18 o  149.196   11.081  283.012   40.988  248.648   61.775  310.038   54.785  137.586   18.444  155.304   14.287 -17.71753 23.33014 
1 1 1   17   -7   19 o  126.326   14.828  207.079   45.887   32.501  110.559  243.410   50.436   77.900   32.955  137.035   14.983 -59.13489 36.20117 
1 1 1   17   -7   20 o  189.865   17.306  472.080   81.153  478.689  136.472  468.464  100.938  182.408   31.074  186.467   22.108 -4.058807 38.13612 
1 1 1   17   -7   21 o  112.157   12.142  162.479   33.464  126.426   47.215  198.870   47.436   95.940   20.339  122.892   15.825 -26.95228 25.77019 
1 1 1   17   -7   22 o  148.803   11.066  284.114   40.827  211.382   57.343  358.888   58.142  124.927   18.978  165.978   14.163 -41.05081 23.68080 
1 1 1   17   -7   23 o  199.903   11.454  514.115   56.938  567.299   81.660  463.793   79.432  207.254   15.899  186.385   17.262 20.86920 23.46837 
1 1 1   17   -7   24 o  137.599   12.043  246.044   40.966  256.332   55.644  233.869   60.533  138.210   16.445  130.372   19.165 7.837524 25.25376 
1 1 1   17   -7   25 f   71.095   18.475   71.074   33.101   69.875   35.995   77.644   84.257   70.226   19.716   76.618   30.104 -6.392014 35.98586 
1 1 1   17   -7   26 o   42.894   16.322   19.091   24.195   33.187   27.423 -30.4342   51.401   50.940   17.661   43.160   20.010 7.780460 26.68909 
1 1 1   17   -7   27 o   51.362   16.727   35.452   24.613   29.641   27.807   56.479   52.894   49.057   17.712   64.878   24.254 -15.82085 30.03277 
1 1 1   17   -7   28 o  189.479   12.665  475.198   59.580  491.467   79.353  454.176   90.204  188.496   17.043  177.113   20.791 11.38339 26.88306 
1 1 1   17   -7   29 o   58.230   24.297   34.828   58.820   0.0000   0.0000   34.828   58.820  ?   ?    58.230   24.297 0.000000 24.29724 
1 1 1   17   -6    0 o  176.077   14.776  393.636   64.367  413.292  103.695  381.314   82.099  178.159   23.911  172.240   19.427 5.919174 30.80844 
1 1 1   17   -6    1 o  549.091   25.524  3878.79  349.978  3995.35  498.946  3765.90  491.037  547.755   36.689  531.230   37.251 16.52484 52.28476 
1 1 1   17   -6    2 o  459.304   22.473  2697.26  257.758  2564.90  368.104  2824.59  361.047  440.405   33.727  464.007   31.343 -23.60266 46.04259 
1 1 1   17   -6    3 o  143.299   15.409  262.224   54.272  232.256   88.423  280.338   68.745  131.658   27.769  147.374   19.131 -15.71599 33.72072 
1 1 1   17   -6    4 o  438.942   21.547  2460.98  236.178  2444.66  338.606  2476.43  329.588  430.909   31.690  434.484   30.572 -3.575104 44.03262 
1 1 1   17   -6    5 o  140.344   10.552  248.685   36.712  254.360   55.120  244.161   49.217  140.963   15.938  138.381   14.456 2.582504 21.51771 
1 1 1   17   -6    6 o  103.103   11.994  135.480   30.304  141.068   45.826  131.138   40.398  103.934   18.326  100.482   16.685 3.452629 24.78376 
1 1 1   17   -6    7 o  300.412   13.372  1137.47  100.315  1333.31  184.610  1055.42  119.496  321.496   23.150  288.166   16.677 33.32990 28.53124 
1 1 1   17   -6    8 o  154.094   10.512  299.607   40.207  342.795   59.965  264.330   54.195  164.085   14.794  143.808   15.327 20.27707 21.30205 
1 1 1   17   -6    9 o   83.326   14.045   89.962   28.186  101.397   43.667   81.795   36.904   87.425   20.378   78.621   19.007 8.803810 27.86588 
1 1 1   17   -6   10 o  192.542   10.369  467.025   49.671  460.905   73.534  472.161   67.363  190.208   15.619  192.886   14.083 -2.677841 21.03042 
1 1 1   17   -6   11 o  124.537   11.119  196.561   34.214  240.474   52.676  164.517   44.999  136.946   15.686  112.774   16.464 24.17220 22.74018 
1 1 1   17   -6   12 o  197.807   10.456  493.108   51.464  532.216   76.753  461.164   69.367  204.514   15.136  190.402   14.703 14.11273 21.10181 
1 1 1   17   -6   13 o  183.436   10.447  424.357   47.659  453.824   71.617  400.935   63.850  188.667   15.333  177.453   14.536 11.21391 21.12873 
1 1 1   17   -6   14 o   59.557   19.016   44.554   31.920   36.731   45.471   52.153   44.818   60.333   22.501   65.987   22.594 -5.654831 31.88688 
1 1 1   17   -6   15 o  109.781   15.137  155.590   40.394  172.121   59.127  141.121   55.316  113.864   21.584  102.724   22.211 11.14052 30.97096 
1 1 1   17   -6   16 o  340.573   12.510  1465.11  106.395  1539.66  153.920  1396.90  147.233  346.647   17.842  330.103   17.928 16.54425 25.29308 
1 1 1   17   -6   17 o   61.302   17.239   49.404   27.494   29.078   43.290   63.146   35.595   56.574   21.760   69.118   19.678 -12.54443 29.33742 
1 1 1   17   -6   18 o  111.065   12.269  157.944   33.459  187.118   51.506  136.645   44.009  119.517   17.801  101.744   17.979 17.77331 25.30038 
1 1 1   17   -6   19 o  209.293   11.024  555.300   57.413  469.760   84.852  627.531   77.972  189.989   18.104  221.463   14.173 -31.47385 22.99198 
1 1 1   17   -6   20 o  259.358   11.494  853.085   74.442  812.359  108.413  889.417  102.397  250.028   17.474  262.654   15.683 -12.62526 23.47968 
1 1 1   17   -6   21 o   51.869   19.439   27.859   34.021 -38.2949   98.528   36.814   36.250   62.647   28.546   56.381   20.239 6.265682 34.99248 
1 1 1   17   -6   22 o  134.145   19.202  241.598   62.489  209.705  114.017  255.291   74.709  116.360   35.770  136.125   22.783 -19.76517 42.40912 
1 1 1   17   -6   23 o  109.321   12.627  155.382   33.837  146.223   46.776  165.436   49.007  103.631   18.766  110.547   18.399 -6.915901 26.28112 
1 1 1   17   -6   24 o  246.411   11.772  779.817   72.438  710.210  103.147  847.554  101.752  230.285   18.082  253.361   16.167 -23.07642 24.25534 
1 1 1   17   -6   25 o  246.262   11.755  781.326   72.286  654.269  101.564  911.760  102.905  219.629   18.696  262.410   15.777 -42.78137 24.46342 
1 1 1   17   -6   26 o  105.402   13.249  146.794   34.102  151.055   43.609  140.088   54.716  105.057   17.219   98.066   22.779 6.990540 28.55485 
1 1 1   17   -6   27 o  152.962   15.024  312.816   56.646  264.478   63.793  493.023  123.173  137.866   19.037  178.668   28.569 -40.80244 34.33133 
1 1 1   17   -6   28 o  123.905   13.082  203.689   39.865  214.515   50.046  184.893   65.943  125.169   16.406  110.294   24.571 14.87447 29.54515 
1 1 1   17   -6   29 o  145.851   12.705  282.279   45.813  275.231   58.129  293.834   74.432  140.961   16.847  141.304   21.795 -0.3432465 27.54710 
1 1 1   17   -6   30 o   42.728   16.012   20.975   23.081   23.319   25.110   8.2050   58.619   44.612   16.705   52.108   23.002 -7.495575 28.42772 
1 1 1   17   -5    0 o  299.879   11.759  1129.65   88.058  1100.04  125.323  1158.52  123.758  294.454   17.117  302.384   16.451 -7.930176 23.74140 
1 1 1   17   -5    1 o  359.583   12.746  1626.15  114.454  1699.50  163.612  1555.86  160.168  366.326   17.885  349.902   18.395 16.42426 25.65679 
1 1 1   17   -5    2 o  462.168   15.427  2695.90  178.041  2771.29  252.860  2621.76  250.729  466.136   21.723  453.194   22.155 12.94171 31.02776 
1 1 1   17   -5    3 f  186.049   10.297  435.632   47.655  407.141   69.079  461.503   65.827  178.907   15.619  190.906   13.904 -11.99863 20.91075 
1 1 1   17   -5    4 o  320.115   12.277  1288.65   98.143  1323.25  140.327  1255.51  137.314  322.758   17.476  314.336   17.563 8.421570 24.77643 
1 1 1   17   -5    5 o  394.716   18.777  1978.67  185.085  2309.42  268.399  1678.78  255.573  422.718   25.546  358.511   28.790 64.20706 38.48975 
1 1 1   17   -5    6 o  144.060   19.624  268.634   68.759   0.0000   0.0000  268.634   68.759  ?   ?   144.060   19.624 0.000000 19.62392 
1 1 1   17   -5    7 o  503.507   35.697  3383.99  445.923  3383.99  445.923   0.0000   0.0000  503.507   35.697  ?   ?  0.000000 35.69671 
1 1 1   17   -5    8 o   82.976   13.721   89.041   27.438   59.101   41.987  111.355   36.248   68.488   21.804   92.492   16.289 -24.00394 27.21637 
1 1 1   17   -5    9 o  231.074   10.563  670.643   60.950  714.491   89.089  632.060   83.569  237.315   15.112  223.156   15.085 14.15956 21.35237 
1 1 1   17   -5   10 o  254.672   10.790  814.922   68.620  858.575   99.596  775.475   94.678  260.121   15.401  247.165   15.416 12.95615 21.79132 
1 1 1   17   -5   11 o  195.425   10.315  480.985   50.161  460.876   74.464  497.690   67.870  190.173   15.824  198.136   13.803 -7.962692 20.99819 
1 1 1   17   -5   12 o  304.744   11.705  1168.66   89.079  1166.73  128.335  1170.45  123.744  302.719   17.046  303.422   16.392 -0.7033691 23.64908 
1 1 1   17   -5   13 o  130.711   10.779  216.226   34.871  231.146   52.918  204.775   46.360  134.113   16.124  126.378   14.982 7.735718 22.01004 
1 1 1   17   -5   14 o  136.714   10.525  236.326   35.658  240.417   54.842  233.330   46.932  136.706   16.392  135.167   14.112 1.538895 21.62965 
1 1 1   17   -5   15 o  173.534   10.244  379.836   44.197  414.745   66.882  352.773   58.887  180.360   14.985  166.404   14.310 13.95648 20.72075 
1 1 1   17   -5   16 o  308.625   16.806  1215.53  129.033  1243.48  183.142  1187.98  181.824  308.789   23.938  301.560   24.353 7.228149 34.14779 
1 1 1   17   -5   17 o  516.598   24.595  3480.03  317.291  3438.19  448.755  3521.86  448.679  500.367   36.158  507.061   35.661 -6.693939 50.78508 
1 1 1   17   -5   18 o   79.644   14.851   83.080   28.450  103.060   44.635   69.408   36.922   87.668   20.717   72.263   19.851 15.40533 28.69230 
1 1 1   17   -5   19 o  377.067   13.678  1805.19  128.795  1709.26  185.135  1895.16  179.292  362.653   20.527  383.583   18.718 -20.92990 27.77990 
1 1 1   17   -5   20 o  215.978   11.143  591.378   59.893  528.133   88.240  645.406   81.557  201.739   17.694  224.448   14.631 -22.70937 22.95997 
1 1 1   17   -5   21 o  151.827   11.120  293.515   41.866  278.981   61.993  305.701   56.767  145.991   17.344  153.779   14.973 -7.787018 22.91263 
1 1 1   17   -5   22 o  146.974   10.909  275.514   39.751  237.478   57.791  309.670   54.765  134.077   17.693  154.727   14.337 -20.65007 22.77215 
1 1 1   17   -5   23 o   47.040   19.231   13.309   35.848   43.011  101.651   9.0910   38.309   76.120   31.867   46.895   19.592 29.22466 37.40749 
1 1 1   17   -5   24 o  263.217   13.544  895.931   88.723  802.351  110.425  1066.37  149.026  245.736   18.123  280.157   21.465 -34.42088 28.09214 
1 1 1   17   -5   25 o  172.337   11.278  382.012   48.266  364.054   67.890  400.366   68.634  165.407   16.663  173.943   15.980 -8.536285 23.08697 
1 1 1   17   -5   26 o  102.360   13.028  137.799   32.546  115.125   41.250  175.191   52.972   91.038   18.768  112.390   19.586 -21.35159 27.12683 
1 1 1   17   -5   27 o   90.126   13.616  108.136   29.688   85.810   36.316  153.120   51.548   78.077   18.842  103.983   20.580 -25.90552 27.90284 
1 1 1   17   -5   28 o   94.331   15.055  120.386   34.271  117.691   42.701  125.264   57.449   91.100   19.367   91.079   24.655 0.2107239E-01 31.35207 
1 1 1   17   -5   29 o  101.052   17.542  142.458   42.662  148.423   45.320   96.039  126.425  102.710   18.343   82.278   35.041 20.43135 39.55177 
1 1 1   17   -5   30 o   76.720   15.961   82.353   29.582   63.514   34.010  140.904   59.957   66.099   19.361   94.635   24.998 -28.53603 31.61879 
1 1 1   17   -5   31 o  100.099   14.675  137.818   35.594  148.012   42.583  114.181   64.842  102.040   17.332   82.485   27.163 19.55460 32.22135 
1 1 1   17   -4    0 o  116.462   10.598  171.537   30.485  161.617   44.822  180.075   41.584  111.969   16.527  118.747   14.312 -6.777420 21.86255 
1 1 1   17   -4    1 o  236.655   10.551  702.617   62.354  692.084   89.330  712.625   87.078  233.759   15.389  237.350   14.765 -3.590851 21.32652 
1 1 1   17   -4    2 o  247.174   10.700  766.646   66.045  747.107   94.557  785.260   92.289  242.823   15.677  249.142   14.902 -6.319305 21.62998 
1 1 1   17   -4    3 o  222.824   10.180  622.802   56.647  616.923   81.730  628.237   78.584  220.700   14.917  222.872   14.194 -2.172119 20.59081 
1 1 1   17   -4    4 o  126.698   10.714  202.895   33.580  197.954   49.313  207.167   45.855  124.139   16.301  127.366   14.686 -3.227188 21.94140 
1 1 1   17   -4    5 o  111.550   11.266  157.851   30.953  140.532   46.353  171.790   41.584  103.760   18.571  115.814   14.710 -12.05388 23.69135 
1 1 1   17   -4    6 f  211.377   10.452  560.792   55.171  591.867   80.617  533.416   75.666  216.050   15.036  205.087   14.876 10.96329 21.15122 
1 1 1   17   -4    7 o   93.013   12.538  110.772   28.381  135.677   43.308   92.027   37.572  102.078   17.627   83.567   18.494 18.51164 25.54871 
1 1 1   17   -4    8 o  220.193   15.536  615.633   84.879  554.191  127.934  663.942  113.442  205.972   25.412  227.447   20.183 -21.47592 32.45150 
1 1 1   17   -4    9 o  403.858   19.759  2077.27  199.267  2245.33  287.588  1922.07  276.360  415.022   27.911  383.153   29.101 31.86899 40.32262 
1 1 1   17   -4   10 o  157.193   15.510  315.323   60.090  267.362   97.467  344.731   76.321  141.023   28.654  163.574   19.041 -22.55089 34.40338 
1 1 1   17   -4   11 o  210.030   10.185  553.845   53.419  618.156   78.594  498.625   72.828  220.845   14.329  198.140   14.826 22.70485 20.61864 
1 1 1   17   -4   12 o   94.400   11.864  113.848   27.350  105.775   42.730  119.451   35.597   89.418   19.671   96.040   15.360 -6.622452 24.95759 
1 1 1   17   -4   13 o   88.965   12.492  101.589   26.987   82.308   42.501  114.615   34.934   78.843   21.149   94.003   15.416 -15.16010 26.17160 
1 1 1   17   -4   14 o  146.691   10.271  271.631   37.387  265.583   56.520  276.336   49.853  143.926   15.997  147.346   13.706 -3.419830 21.06514 
1 1 1   17   -4   15 o  162.028   10.213  331.156   41.111  311.280   62.139  346.629   54.824  155.854   16.203  165.191   13.406 -9.336578 21.02971 
1 1 1   17   -4   16 o  263.045   11.250  870.890   73.897  829.702  107.749  907.468  101.540  254.905   17.025  267.197   15.281 -12.29211 22.87730 
1 1 1   17   -4   17 o  413.441   14.324  2163.76  147.888  2139.37  211.605  2187.05  206.770  407.516   20.864  412.968   20.050 -5.452026 28.93622 
1 1 1   17   -4   18 o  389.963   19.636  1956.43  190.607  2009.82  269.848  1903.27  269.270  389.486   27.930  378.362   28.713 11.12436 40.05655 
1 1 1   17   -4   19 o  117.488   15.298  178.342   43.819  154.444   61.491  202.998   62.460  106.922   23.656  123.823   20.947 -16.90084 31.59745 
1 1 1   17   -4   20 f  180.056   10.671  410.329   47.767  414.839   72.190  406.817   63.707  179.464   16.286  178.291   14.433 1.172440 21.76070 
1 1 1   17   -4   21 o  189.623   10.889  455.877   51.347  375.646   75.685  524.294   69.891  169.735   18.137  202.459   13.908 -32.72441 22.85589 
1 1 1   17   -4   22 o   54.572   16.924   38.467   25.461   58.563   36.359   19.131   35.665   66.494   20.152   49.355   19.524 17.13881 28.05881 
1 1 1   17   -4   23 o  138.717   11.196  245.876   38.453  221.727   55.218  268.613   53.581  129.549   17.518  143.713   15.159 -14.16386 23.16604 
1 1 1   17   -4   24 o  157.197   10.900  315.749   42.525  273.103   60.795  356.604   59.505  143.654   17.295  165.684   14.529 -22.03027 22.58764 
1 1 1   17   -4   25 o   61.255   21.363   47.355   40.151 -116.0584  105.640   74.946   43.408   55.076   26.448   73.492   21.962 -18.41611 34.37816 
1 1 1   17   -4   26 o   92.410   14.685  113.693   32.753   99.901   39.353  144.782   59.085   84.869   19.037  100.189   23.943 -15.32030 30.58874 
1 1 1   17   -4   27 o   95.455   13.366  120.382   30.986   97.791   38.963  159.254   51.109   83.635   19.078  106.902   19.877 -23.26770 27.55098 
1 1 1   17   -4   28 o  127.957   20.194  228.928   62.387   0.0000   0.0000  228.928   62.387  ?   ?   127.957   20.194 0.000000 20.19415 
1 1 1   17   -4   29 o  100.550   14.808  136.159   36.069  127.109   41.449  164.385   73.204   95.477   18.046  102.255   27.895 -6.777519 33.22295 
1 1 1   17   -4   30 o   75.362   16.527   79.378   30.247   72.229   34.990  100.516   60.165   70.817   19.272   80.537   26.148 -9.719826 32.48234 
1 1 1   17   -4   31 o   52.694   17.773   37.566   27.729   42.837   28.339 -80.9017  134.343   55.504   17.938   61.444   29.588 -5.940819 34.60100 
1 1 1   17   -3    0 o  300.970   11.841  1137.39   88.997  1035.05  126.602  1237.38  125.132  285.558   17.843  312.781   16.075 -27.22308 24.01640 
1 1 1   17   -3    1 o  189.083   10.053  449.501   47.296  446.865   68.414  451.915   65.457  187.790   14.706  188.988   13.969 -1.198074 20.28317 
1 1 1   17   -3    2 o  387.771   13.643  1892.11  132.111  1857.70  187.682  1925.90  185.996  382.134   19.735  389.770   19.109 -7.636169 27.47078 
1 1 1   17   -3    3 o  111.008   10.851  156.090   29.694  129.577   43.802  178.638   40.394   99.656   18.275  118.324   13.938 -18.66850 22.98317 
1 1 1   17   -3    4 o   94.118   11.980  113.060   27.519  117.580   41.064  109.375   37.076   94.859   17.994   91.633   16.823 3.226166 24.63288 
1 1 1   17   -3    5 o  110.947   15.652  158.339   42.161   0.0000   0.0000  158.339   42.161  ?   ?   110.947   15.652 0.000000 15.65225 
1 1 1   17   -3    6 o  459.937   22.366  2702.11  256.887  2702.11  256.887   0.0000   0.0000  459.937   22.366  ?   ?  0.000000 22.36624 
1 1 1   17   -3    7 o  185.192   10.326  431.691   47.564  391.949   69.211  467.261   65.477  175.424   15.974  192.119   13.739 -16.69479 21.06953 
1 1 1   17   -3    8 f  180.555   10.311  410.448   46.296  390.067   67.583  428.469   63.548  175.049   15.625  183.871   13.944 -8.821609 20.94205 
1 1 1   17   -3    9 o  455.589   15.340  2621.78  174.518  2571.60  247.936  2671.05  245.690  448.421   22.141  457.312   21.514 -8.891174 30.87221 
1 1 1   17   -3   10 o  135.176   10.464  230.769   35.048  231.136   52.305  230.469   47.215  134.298   15.905  134.434   14.283 -0.1367798 21.37722 
1 1 1   17   -3   11 o  448.902   21.079  2574.03  236.299  2872.43  340.079  2295.49  328.571  468.600   29.207  416.962   31.796 51.63785 43.17450 
1 1 1   17   -3   12 o  312.137   16.780  1238.01  130.311  1406.04  192.476  1095.82  177.063  330.021   23.509  290.685   24.624 39.33609 34.04414 
1 1 1   17   -3   13 o  124.448   12.603  196.983   38.627  173.199   49.671  233.374   61.439  115.517   17.790  134.194   18.854 -18.67738 25.92237 
1 1 1   17   -3   14 o  216.632   10.201  589.365   55.187  619.345   81.441  563.909   75.043  220.881   14.851  210.839   14.338 10.04211 20.64338 
1 1 1   17   -3   15 o  127.649   10.558  206.132   33.352  226.132   51.609  191.789   43.704  132.708   15.889  122.352   14.592 10.35530 21.57309 
1 1 1   17   -3   16 o  293.410   11.589  1083.60   84.911  1054.48  123.054  1110.07  117.317  287.566   17.215  295.502   15.957 -7.935211 23.47330 
1 1 1   17   -3   17 o  320.767   12.120  1296.58   97.082  1279.12  140.385  1312.58  134.401  316.442   17.838  320.962   16.827 -4.520386 24.52260 
1 1 1   17   -3   18 o   95.586   12.546  117.189   29.224  112.311   46.047  120.479   37.815   91.822   20.590   96.110   16.341 -4.288116 26.28659 
1 1 1   17   -3   19 o  273.084   11.456  939.981   78.123  960.925  114.094  921.495  107.194  274.168   16.745  268.720   16.047 5.448151 23.19299 
1 1 1   17   -3   20 o  277.371   15.951  983.175  110.017  986.890  154.996  979.402  156.187  274.658   22.805  273.453   23.088 1.204742 32.45174 
1 1 1   17   -3   21 o  255.085   15.383  832.633   97.533  808.490  136.782  857.605  139.113  248.068   22.319  255.720   21.999 -7.651825 31.33853 
1 1 1   17   -3   22 f  225.934   10.860  645.164   61.272  522.105   90.104  751.013   83.566  200.330   18.210  242.475   13.859 -42.14450 22.88405 
1 1 1   17   -3   23 o   88.557   13.768  102.327   29.459  103.442   42.538  101.300   40.835   87.354   19.940   86.572   19.373 0.7816315 27.80102 
1 1 1   17   -3   24 o   51.779   16.668   34.136   24.486   9.5264   33.071   63.999   36.430   44.464   18.358   68.865   20.000 -24.40029 27.14778 
1 1 1   17   -3   25 o  122.187   11.722  192.128   35.329  151.754   49.179  235.182   50.785  105.738   19.338  133.919   15.471 -28.18076 24.76466 
1 1 1   17   -3   26 o  132.191   11.022  224.481   36.051  160.770   48.894  300.380   53.367  108.794   18.669  151.709   14.254 -42.91460 23.48874 
1 1 1   17   -3   27 o  124.799   21.160  216.626   63.589   93.342  124.910  259.753   73.879   87.171   35.798  136.011   22.541 -48.84052 42.30326 
1 1 1   17   -3   28 o  158.478   13.355  328.359   52.360  349.375   65.192  290.165   87.887  161.729   16.367  140.630   25.983 21.09883 30.70875 
1 1 1   17   -3   29 o   37.876   14.983   11.698   21.006   15.250   23.273  -3.9127   48.789   40.799   15.881   47.532   20.983 -6.732864 26.31564 
1 1 1   17   -3   30 o   41.928   15.725   18.850   22.268   22.481   24.724   3.2432   51.254   44.772   16.613   49.912   21.785 -5.140533 27.39668 
1 1 1   17   -3   31 o   89.313   14.863  108.674   31.984   99.089   37.691  133.339   60.460   83.359   18.581   92.635   25.384 -9.275406 31.45753 
1 1 1   17   -3   32 o  100.649   17.434  142.766   42.232  136.027   43.955  223.700  152.338   97.344   18.762  100.343   40.138 -2.999626 44.30692 
1 1 1   17   -2    0 o  381.194   13.176  1826.47  125.428  1838.05  178.310  1815.12  176.468  381.108   18.736  378.745   18.658 2.362976 26.44170 
1 1 1   17   -2    1 o  460.836   15.648  2677.13  180.072  2528.50  254.944  2825.10  254.377  444.841   23.029  471.368   21.611 -26.52716 31.58107 
1 1 1   17   -2    2 o  215.815   10.228  583.990   55.123  568.703   79.438  598.187   76.554  211.927   15.109  217.556   14.169 -5.628387 20.71327 
1 1 1   17   -2    3 o  257.505   10.860  831.941   69.834  779.008   99.848  882.627   97.706  247.932   16.216  264.270   14.866 -16.33821 21.99927 
1 1 1   17   -2    4 o  104.683   11.179  139.088   28.770  163.477   43.255  119.738   38.529  112.772   15.793   96.031   16.671 16.74107 22.96390 
1 1 1   17   -2    5 o  347.984   12.511  1522.20  108.719  1589.20  155.354  1457.89  152.198  354.408   17.554  338.864   18.051 15.54385 25.17883 
1 1 1   17   -2    6 o  233.778   10.461  685.693   61.070  672.612   87.859  697.920   84.946  230.400   15.359  234.885   14.554 -4.484894 21.15896 
1 1 1   17   -2    7 o   97.464   11.786  121.062   28.104  103.517   41.613  135.776   38.107   88.636   19.344  102.641   15.338 -14.00471 24.68681 
1 1 1   17   -2    8 o  264.799   11.133  880.559   73.616  847.814  105.348  911.809  102.914  258.459   16.407  268.320   15.424 -9.860931 22.51898 
1 1 1   17   -2    9 o  172.345   10.063  373.917   43.119  338.371   63.042  405.164   59.106  162.939   15.688  178.896   13.326 -15.95773 20.58366 
1 1 1   17   -2   10 o  369.485   13.088  1718.88  120.758  1749.04  172.236  1689.72  169.357  370.676   18.667  364.316   18.678 6.359863 26.40700 
1 1 1   17   -2   11 o  285.060   11.309  1021.11   80.501  1001.36  115.816  1039.58  111.973  280.789   16.591  286.361   15.719 -5.572266 22.85459 
1 1 1   17   -2   12 o  261.647   10.866  859.959   70.993  859.415  102.706  860.456   98.242  260.210   15.882  260.555   15.165 -0.3445740 21.95906 
1 1 1   17   -2   13 o  244.452   12.509  754.152   76.107  812.585  143.430  731.251   89.791  250.626   23.180  240.128   15.050 10.49814 27.63705 
1 1 1   17   -2   14 o  316.641   17.656  1276.57  139.051  1272.32  204.154  1280.26  189.914  312.423   26.415  314.373   24.382 -1.950165 35.94784 
1 1 1   17   -2   15 o   95.509   19.302  120.221   44.452  107.007   83.288  125.484   52.565   92.115   30.804   97.085   22.169 -4.970100 37.95149 
1 1 1   17   -2   16 o  224.325   10.367  632.185   58.072  654.447   85.507  613.127   79.116  226.962   15.174  219.816   14.494 7.145157 20.98437 
1 1 1   17   -2   17 o  153.546   10.462  297.641   39.874  261.279   60.751  325.163   52.852  142.364   17.454  159.988   13.351 -17.62479 21.97464 
1 1 1   17   -2   18 o  178.422   10.266  401.404   45.547  403.418   69.060  399.854   60.594  177.716   15.724  177.384   13.788 0.3318329 20.91243 
1 1 1   17   -2   19 o  207.169   10.304  539.680   53.307  593.656   79.931  496.442   71.539  215.962   14.913  197.480   14.610 18.48195 20.87718 
1 1 1   17   -2   20 f  309.864   11.782  1210.92   91.168  1254.48  132.624  1171.89  125.529  313.265   17.017  302.896   16.660 10.36929 23.81486 
1 1 1   17   -2   21 o  212.326   10.495  567.891   55.646  560.325   82.687  574.155   75.230  209.136   15.953  212.247   14.277 -3.111221 21.40860 
1 1 1   17   -2   22 o  189.439   13.829  458.223   64.968  334.703   89.452  596.114   94.513  158.400   23.312  214.738   17.785 -56.33849 29.32127 
1 1 1   17   -2   23 o  148.479   14.030  283.300   51.403  258.461   68.540  315.230   77.711  139.638   20.246  154.270   20.694 -14.63182 28.95072 
1 1 1   17   -2   24 o  249.559   11.214  789.509   69.887  689.484  101.349  880.189   96.499  230.002   17.784  261.646   14.830 -31.64374 23.15605 
1 1 1   17   -2   25 o   42.945   16.119   18.373   23.408   13.294   30.296   25.896   36.870   44.327   17.840   52.175   20.078 -7.847744 26.85859 
1 1 1   17   -2   26 o   94.053   13.176  115.566   30.096  126.505   40.999  102.783   44.320   96.953   17.582   86.137   20.832 10.81511 27.25982 
1 1 1   17   -2   27 o   86.947   21.032  105.795   45.168   0.0000   0.0000  105.795   45.168  ?   ?    86.947   21.032 0.000000 21.03215 
1 1 1   17   -2   28 o  107.030   14.842  151.994   38.601  124.382   42.848  270.916   88.922   95.030   18.722  135.620   27.203 -40.59078 33.02285 
1 1 1   17   -2   29 o   68.418   23.800   63.349   49.821  120.168  118.090   51.047   54.950   90.380   35.598   65.057   24.635 25.32261 43.29124 
1 1 1   17   -2   30 o  106.670   13.206  150.223   34.425  150.025   42.714  150.590   58.151  104.880   16.882  101.394   23.436 3.486351 28.88330 
1 1 1   17   -2   31 o  129.016   12.814  219.216   40.738  223.165   51.208  212.409   67.235  128.158   16.375  120.341   23.215 7.816536 28.40882 
1 1 1   17   -2   32 o  116.342   13.674  180.953   38.969  186.905   47.793  169.146   67.312  116.298   16.955  104.028   25.987 12.27015 31.02922 
1 1 1   17   -2   33 o  165.934   13.073  366.684   53.732  347.625   68.473  397.229   86.685  157.568   17.709  164.373   21.645 -6.805481 27.96618 
1 1 1   17   -1    0 o  266.102   11.395  888.386   75.717  776.986  107.412  998.424  106.753  247.460   17.495  281.164   15.262 -33.70370 23.21587 
1 1 1   17   -1    1 o  362.916   13.260  1655.40  120.167  1512.78  170.240  1797.02  169.646  344.980   19.845  377.073   18.016 -32.09213 26.80326 
1 1 1   17   -1    2 o  228.818   10.129  656.319   57.876  632.995   82.883  678.515   80.853  223.717   14.922  231.822   14.033 -8.104828 20.48343 
1 1 1   17   -1    3 o  450.395   15.265  2556.12  171.686  2539.76  243.634  2572.26  241.977  446.828   21.835  449.788   21.543 -2.959747 30.67366 
1 1 1   17   -1    4 o  280.605   15.789  996.107  110.188   0.0000   0.0000  996.107  110.188  ?   ?   280.605   15.789 0.000000 15.78908 
1 1 1   17   -1    5 o  172.385   14.025  376.490   59.853  376.490   59.853   0.0000   0.0000  172.385   14.025  ?   ?  0.000000 14.02547 
1 1 1   17   -1    6 o   72.791   13.792   68.861   24.153   74.690   36.554   64.343   32.177   75.326   19.335   70.004   18.228 5.322533 26.57220 
1 1 1   17   -1    7 o  160.924   9.9584  325.981   39.822  326.006   58.493  325.959   54.366  160.155   14.793  160.341   13.710 -0.1862640 20.16891 
1 1 1   17   -1    8 o  121.823   10.492  187.578   31.605  146.449   46.327  223.386   43.227  106.094   18.138  132.591   13.232 -26.49754 22.45162 
1 1 1   17   -1    9 o  147.072   10.204  272.662   37.245  199.850   54.397  336.918   51.101  124.348   18.045  163.186   12.639 -38.83797 22.03087 
1 1 1   17   -1   10 o  339.088   12.484  1446.27  105.714  1430.94  151.080  1460.98  147.972  335.464   18.102  339.167   17.531 -3.702576 25.19925 
1 1 1   17   -1   11 o  388.270   13.564  1899.15  131.511  1912.93  187.437  1885.79  184.566  387.898   19.350  385.194   19.188 2.703979 27.25066 
1 1 1   17   -1   12 o  323.793   12.059  1318.54   97.509  1297.82  139.693  1338.23  136.170  319.487   17.577  324.672   16.853 -5.184967 24.35119 
1 1 1   17   -1   13 o  509.628   16.599  3288.39  211.243  3333.99  300.269  3243.70  297.240  509.560   23.597  502.562   23.685 6.998810 33.43353 
1 1 1   17   -1   14 o  117.580   10.789  175.096   31.325  184.306   48.044  168.286   41.314  119.566   16.533  114.529   14.791 5.037376 22.18392 
1 1 1   17   -1   15 o  131.025   10.426  216.937   33.832  208.419   51.885  223.238   44.624  127.207   16.740  132.365   13.699 -5.158241 21.63059 
1 1 1   17   -1   16 o  372.131   18.829  1767.01  174.408  1935.80  254.239  1616.97  239.703  385.524   26.571  351.677   27.514 33.84738 38.24936 
1 1 1   17   -1   17 o  176.310   15.969  396.843   69.547  322.585  112.513  442.759   88.474  154.421   30.260  185.387   19.398 -30.96623 35.94347 
1 1 1   17   -1   18 o  115.068   11.288  168.135   32.017  103.607   49.205  215.517   42.164   88.122   22.332  130.068   13.163 -41.94548 25.92255 
1 1 1   17   -1   19 o  405.637   13.691  2078.53  138.688  2069.31  198.962  2087.23  193.424  402.197   19.810  404.247   19.161 -2.049805 27.56019 
1 1 1   17   -1   20 o  256.944   10.961  830.958   70.332  778.953  103.171  876.109   96.132  246.900   16.834  262.599   14.719 -15.69872 22.36127 
1 1 1   17   -1   21 o  414.893   13.791  2179.20  142.886  2195.39  205.226  2163.97  199.059  413.384   19.880  410.685   19.410 2.698792 27.78446 
1 1 1   17   -1   22 o  164.745   10.397  343.194   42.552  307.747   63.709  371.743   57.176  154.378   16.797  170.767   13.518 -16.38882 21.56112 
1 1 1   17   -1   23 o  232.905   10.469  684.241   60.890  574.196   89.196  780.277   83.326  210.954   17.079  247.523   13.532 -36.56915 21.78968 
1 1 1   17   -1   24 o  293.537   16.001  1108.50  116.849  965.738  161.539  1265.18  169.227  268.781   24.331  309.668   22.027 -40.88654 32.82089 
1 1 1   17   -1   25 o  197.039   14.059  499.001   68.722  445.842   92.007  566.082  103.355  183.299   20.449  206.865   20.268 -23.56625 28.79172 
1 1 1   17   -1   26 o   57.124   16.291   43.420   24.376   46.550   32.366   39.317   37.053   59.825   19.153   57.594   20.484 2.231026 28.04398 
1 1 1   17   -1   27 o  173.154   14.047  388.925   60.214  296.895  146.499  407.632   66.051  133.943   40.420  176.785   15.107 -42.84183 43.15039 
1 1 1   17   -1   28 o   51.938   16.776   34.924   24.789   51.049   28.585 -13.9734   49.777   61.338   17.688   46.439   20.803 14.89907 27.30654 
1 1 1   17   -1   29 o   27.574   12.366  -7.1595   17.639   2.9906   19.682 -48.5766   39.758   33.213   13.969   34.369   16.430 -1.155964 21.56570 
1 1 1   17   -1   30 o  110.995   12.775  161.449   34.764  171.285   44.923  146.766   54.887  112.707   16.445  101.170   22.324 11.53770 27.72745 
1 1 1   17   -1   31 o   87.997   24.717  115.596   56.553   93.049  132.548  120.614   62.530   85.264   36.078   89.157   26.292 -3.892120 44.64163 
1 1 1   17   -1   32 o  169.583   12.263  376.146   51.583  345.904   67.079  419.910   80.692  159.220   17.141  174.056   18.867 -14.83636 25.49060 
1 1 1   17   -1   33 o  161.631   12.917  345.521   51.702  311.656   65.956  399.495   83.268  149.629   18.014  167.329   20.346 -17.69952 27.17468 
1 1 1   17    0    0 o  181.162   9.9226  412.446   44.718  397.245   64.346  426.647   62.192  177.092   14.683  183.743   13.652 -6.651123 20.04869 
1 1 1   17    0    1 o  626.597   19.855  4972.52  310.680  4932.21  439.799  5012.68  438.938  619.471   28.430  624.687   28.138 -5.215942 40.00027 
1 1 1   17    0    2 o  236.677   10.436  702.235   61.681  705.170   88.389  699.449   86.116  236.189   15.065  235.288   14.731 0.9012756 21.06977 
1 1 1   17    0    3 o  290.657   13.239  1061.85   96.092  1038.27  165.504  1073.83  118.021  284.488   23.507  291.358   16.286 -6.870392 28.59785 
1 1 1   17    0    4 o  302.536   16.709  1158.65  125.747  1158.65  125.747   0.0000   0.0000  302.536   16.709  ?   ?  0.000000 16.70933 
1 1 1   17    0    5 o  147.654   9.8823  274.492   36.228  244.693   52.678  301.232   49.902  138.487   15.498  154.254   13.078 -15.76700 20.27877 
1 1 1   17    0    6 o  246.189   10.471  760.193   64.374  698.122   91.694  820.522   90.398  234.749   15.733  254.893   14.259 -20.14389 21.23321 
1 1 1   17    0    7 o  396.556   13.932  1979.72  137.964  1779.99  195.303  2178.66  194.919  373.514   21.024  414.603   18.827 -41.08878 28.22161 
1 1 1   17    0    8 o  435.428   14.854  2390.15  161.514  2188.88  228.907  2589.69  227.927  413.687   22.240  451.404   20.220 -37.71671 30.05757 
1 1 1   17    0    9 o  325.049   12.338  1328.24  100.147  1220.51  142.487  1433.43  140.787  309.750   18.506  336.714   16.744 -26.96371 24.95619 
1 1 1   17    0   10 o  221.856   10.321  617.575   57.178  583.797   82.640  648.594   79.193  214.500   15.533  226.460   14.073 -11.96019 20.96059 
1 1 1   17    0   11 o  240.974   10.671  728.944   64.211  700.649   92.697  755.045   89.030  234.969   15.892  244.245   14.665 -9.275894 21.62410 
1 1 1   17    0   12 o  403.475   13.946  2051.77  140.511  2026.18  200.034  2076.69  197.418  398.446   20.170  404.096   19.564 -5.650238 28.09907 
1 1 1   17    0   13 o  400.034   13.867  2017.14  138.522  2005.01  197.387  2028.91  194.446  396.335   20.008  399.361   19.498 -3.025269 27.93733 
1 1 1   17    0   14 o  123.984   10.372  194.308   31.817  205.619   48.754  185.918   41.991  126.595   15.764  120.601   14.216 5.993294 21.22711 
1 1 1   17    0   15 o  338.935   12.106  1445.22  102.467  1499.80  147.434  1394.23  142.512  343.970   17.164  331.178   17.292 12.79126 24.36456 
1 1 1   17    0   16 o  282.440   11.184  1002.65   78.882  960.863  114.437  1040.48  108.881  274.879   16.751  286.511   15.273 -11.63141 22.66895 
1 1 1   17    0   17 o  331.339   12.158  1381.89  100.596  1335.10  144.994  1425.31  139.684  323.658   18.011  335.317   16.682 -11.65863 24.54942 
1 1 1   17    0   18 o  142.560   12.447  257.888   43.868  229.172   99.232  264.864   48.907  129.529   31.076  144.240   13.744 -14.71109 33.97993 
1 1 1   17    0   19 o   45.539   18.905   7.1138   35.349 -53.0023   80.873   21.311   39.302   55.631   25.541   52.408   20.570 3.223160 32.79451 
1 1 1   17    0   20 o   78.041   17.280   80.404   32.787   57.023   43.569  110.935   49.786   67.743   22.264   91.111   22.107 -23.36723 31.37509 
1 1 1   17    0   21 o  321.987   12.114  1307.32   97.403  1230.28  140.783  1378.06  134.902  309.921   18.271  329.237   16.408 -19.31592 24.55758 
1 1 1   17    0   22 o  148.874   10.686  280.476   39.461  252.362   59.599  302.423   52.657  139.579   17.482  153.943   13.846 -14.36388 22.30116 
1 1 1   17    0   23 o  388.302   13.143  1909.84  127.442  1920.61  183.569  1899.81  177.069  386.390   19.025  384.637   18.435 1.753082 26.49135 
1 1 1   17    0   24 o  203.222   10.588  522.588   53.549  410.935   78.717  618.765   73.058  177.854   17.970  220.352   13.340 -42.49791 22.38029 
1 1 1   17    0   25 o  152.930   10.658  297.071   40.447  296.575   59.640  297.493   55.039  151.202   16.040  151.892   14.694 -0.6899719 21.75341 
1 1 1   17    0   26 o  149.334   13.460  287.052   49.654  198.441   63.246  429.425   80.168  120.914   21.746  180.957   17.979 -60.04285 28.21548 
1 1 1   17    0   27 f  148.261   12.522  282.705   45.926  175.278   54.595  542.701   84.934  113.776   19.943  203.613   16.856 -89.83746 26.11172 
1 1 1   17    0   28 o   92.959   13.385  113.244   30.176   93.996   39.682  139.637   46.468   82.583   19.546  101.253   19.078 -18.67078 27.31320 
1 1 1   17    0   29 o   54.488   16.062   39.709   23.340   37.176   28.258   45.147   41.403   53.857   17.941   60.489   21.639 -6.631866 28.10907 
1 1 1   17    0   30 o   51.723   15.987   35.442   22.741   30.998   26.705   47.165   43.376   50.140   17.426   61.433   22.130 -11.29262 28.16735 
1 1 1   17    0   31 o   79.141   14.604   84.316   27.798   84.899   33.348   82.990   50.318   78.350   17.488   75.977   23.830 2.373123 29.55826 
1 1 1   17    0   32 f   89.262   23.072  117.164   51.804  103.605  138.697  119.362   55.845   87.238   36.909   89.467   24.346 -2.228638 44.21547 
1 1 1   17    0   33 o   96.719   24.929  142.635   60.591  264.126  147.578  118.003   66.451  114.153   40.851   86.716   27.411 27.43673 49.19519 
1 1 1   17    0   34 o  251.575   13.995  843.358   87.574  819.666  118.842  871.512  129.547  240.361   19.981  245.893   21.308 -5.532074 29.21058 
1 1 1   17    1    0 o  223.171   10.357  624.190   57.721  572.125   82.044  675.217   81.222  212.610   15.561  231.322   14.128 -18.71141 21.01799 
1 1 1   17    1    1 o  120.999   14.824  186.908   43.855  170.793   57.006  210.272   68.642  114.404   20.717  126.851   22.493 -12.44742 30.57948 
1 1 1   17    1    2 o  357.380   18.261  1617.84  162.428  1552.86  226.508  1686.63  233.049  347.453   26.301  362.330   25.928 -14.87625 36.93226 
1 1 1   17    1    3 o  114.927   23.882  174.325   66.302   0.0000   0.0000  174.325   66.302  ?   ?   114.927   23.882 0.000000 23.88190 
1 1 1   17    1    4 o  244.210   14.980  753.685   90.911  724.284  125.232  786.442  132.186  237.920   21.304  247.919   21.566 -9.999420 30.31414 
1 1 1   17    1    5 o  309.175   16.641  1209.71  128.005  1150.20  178.734  1272.38  183.409  299.249   24.123  315.057   23.481 -15.80814 33.66381 
1 1 1   17    1    6 o   89.652   16.214  104.447   34.963   74.712   44.609  151.807   56.297   75.875   22.159  107.404   21.736 -31.52875 31.04017 
1 1 1   17    1    7 o  535.706   24.856  3674.53  332.509  3578.14  468.554  3772.33  471.941  520.318   36.288  534.911   35.533 -14.59302 50.78828 
1 1 1   17    1    8 o  311.077   12.053  1215.71   93.633  1097.97  133.034  1331.29  131.809  293.936   18.214  324.303   16.328 -30.36658 24.46131 
1 1 1   17    1    9 o  114.634   10.542  166.247   29.840  140.779   43.854  188.206   40.721  104.131   17.484  121.535   13.654 -17.40389 22.18394 
1 1 1   17    1   10 o  139.071   10.018  243.814   34.559  211.804   50.886  271.217   47.083  128.508   16.218  146.262   13.027 -17.75365 20.80224 
1 1 1   17    1   11 o  230.222   10.547  665.169   60.636  599.043   87.183  727.123   84.389  217.149   16.194  239.810   14.155 -22.66045 21.50825 
1 1 1   17    1   12 o  266.107   11.145  889.346   74.062  765.140  105.909  1008.22  103.608  245.210   17.409  282.343   14.746 -37.13351 22.81487 
1 1 1   17    1   13 o  155.871   10.091  306.104   39.066  271.699   57.944  334.777   52.896  145.729   16.196  162.549   13.144 -16.81943 20.85866 
1 1 1   17    1   14 o  148.787   9.9944  279.007   36.918  287.098   55.441  272.560   49.486  150.083   14.993  146.449   13.690 3.633759 20.30335 
1 1 1   17    1   15 o  313.646   11.975  1237.17   93.789  1195.26  134.679  1276.64  130.685  306.510   17.671  317.159   16.558 -10.64880 24.21607 
1 1 1   17    1   16 o  135.187   10.181  230.686   34.116  236.402   52.086  226.391   45.150  135.883   15.635  133.316   13.760 2.567139 20.82732 
1 1 1   17    1   17 o  173.555   10.189  379.444   43.964  335.843   65.456  415.280   59.342  162.061   16.400  181.067   13.216 -19.00589 21.06183 
1 1 1   17    1   18 o  200.309   9.9908  503.723   49.975  507.437   74.663  500.709   67.265  199.809   15.075  198.791   13.632 1.017059 20.32471 
1 1 1   17    1   19 o  266.171   10.989  890.681   73.043  799.772  106.464  971.525  100.398  250.447   17.126  276.903   14.571 -26.45543 22.48543 
1 1 1   17    1   20 o  207.215   10.509  541.010   54.199  497.333   80.850  576.657   73.041  197.311   16.562  213.271   13.788 -15.96011 21.55048 
1 1 1   17    1   21 o  212.591   15.861  576.309   83.598  626.080  133.664  544.332  107.139  218.415   24.955  204.883   21.250 13.53152 32.77622 
1 1 1   17    1   22 o   82.302   16.926   89.260   33.626   83.409   45.309   96.434   50.171   79.221   22.078   84.921   23.063 -5.699852 31.92684 
1 1 1   17    1   23 f  211.127   10.395  561.136   54.806  541.111   81.627  577.573   73.953  205.589   16.026  213.059   13.977 -7.470581 21.26499 
1 1 1   17    1   24 o   66.359   15.774   58.358   25.756   38.366   38.270   74.910   34.822   58.247   20.807   74.896   18.681 -16.64962 27.96296 
1 1 1   17    1   25 o  290.034   10.970  1062.91   79.454  939.381  115.602  1173.51  109.385  269.818   17.247  303.437   14.436 -33.61847 22.49135 
1 1 1   17    1   26 o  155.284   14.876  311.326   56.979   0.0000   0.0000  311.326   56.979  ?   ?   155.284   14.876 0.000000 14.87588 
1 1 1   17    1   27 o   40.046   16.547   7.0688   26.901   7.0688   26.901   0.0000   0.0000   40.046   16.547  ?   ?  0.000000 16.54696 
1 1 1   17    1   28 o  353.081   16.547  1622.40  145.895  1243.07  198.803  2065.13  214.774  298.394   26.971  391.770   22.043 -93.37567 34.83298 
1 1 1   17    1   29 o  110.877   13.745  160.754   37.242  105.317   41.896  369.515   81.301   87.369   19.676  165.290   20.111 -77.92097 28.13562 
1 1 1   17    1   30 o  120.397   11.787  187.562   34.984  162.342   46.391  220.815   53.269  109.632   17.536  128.442   17.028 -18.80968 24.44308 
1 1 1   17    1   31 o  136.115   11.951  240.121   40.209  264.209   53.473  208.777   60.996  141.174   15.419  122.535   20.669 18.63939 25.78673 
1 1 1   17    1   32 o   41.562   15.202   19.215   20.581   19.794   23.075   16.963   45.508   42.975   16.029   51.626   21.442 -8.651066 26.77108 
1 1 1   17    1   33 o   82.113   15.043   91.545   29.710  102.249   35.607   67.014   53.905   85.933   17.193   69.513   24.709 16.42013 30.10218 
1 1 1   17    1   34 o  228.621   16.714  709.914   94.760  754.952  198.938  696.696  107.772  199.969   41.209  223.254   19.527 -23.28497 45.60176 
1 1 1   17    1   35 o  126.134   14.589  215.158   45.105  221.059   54.637  202.529   79.926  125.528   17.940  110.805   28.667 14.72291 33.81825 
1 1 1   17    2    0 o  313.039   16.894  1238.94  131.572  1236.80  183.521  1241.20  188.730  310.876   23.821  311.219   24.482 -0.3435059 34.15870 
1 1 1   17    2    1 o  214.602   14.711  581.973   78.360  660.160  108.097  495.390  113.754  227.722   19.188  195.952   23.731 31.77063 30.51747 
1 1 1   17    2    2 o  295.824   23.948  1121.40  175.391   0.0000   0.0000  1121.40  175.391  ?   ?   295.824   23.948 0.000000 23.94774 
1 1 1   17    2    3 o  170.382   19.312  371.793   80.716  371.793   80.716   0.0000   0.0000  170.382   19.312  ?   ?  0.000000 19.31185 
1 1 1   17    2    4 o  212.931   14.283  572.840   75.506  518.305  102.833  636.635  111.221  201.141   20.772  223.281   20.165 -22.13969 28.95008 
1 1 1   17    2    5 o  300.375   16.111  1140.72  120.409  1026.14  166.860  1265.22  173.928  282.722   23.857  314.655   22.279 -31.93271 32.64249 
1 1 1   17    2    6 o  248.793   14.585  781.839   90.217  660.636  124.215  917.156  131.249  226.839   22.213  268.315   19.727 -41.47676 29.70822 
1 1 1   17    2    7 o  203.941   14.083  525.872   71.282  504.822   97.606  549.930  104.348  198.547   19.956  207.187   20.435 -8.639938 28.56279 
1 1 1   17    2    8 o   97.379   16.202  122.784   38.015  112.954   48.477  138.481   61.262   92.442   21.419  102.082   24.369 -9.639526 32.44458 
1 1 1   17    2    9 o   70.824   17.841   65.928   31.539   34.532   39.411  121.848   52.597   57.625   21.043   95.906   22.372 -38.28048 30.71311 
1 1 1   17    2   10 o  249.493   14.722  787.226   91.314  685.889  125.878  899.784  132.663  230.937   22.097  265.371   20.170 -34.43321 29.91872 
1 1 1   17    2   11 o  162.099   13.673  333.126   54.831  289.325   74.422  385.131   81.092  149.516   20.470  173.227   19.062 -23.71065 27.97084 
1 1 1   17    2   12 o   54.368   18.306   35.123   29.416   42.254   38.166   24.688   46.169   60.354   20.841   56.752   22.289 3.601143 30.51422 
1 1 1   17    2   13 o  252.954   10.855  803.369   68.565  764.165   98.928  839.611   95.117  245.350   16.238  257.562   14.852 -12.21219 22.00581 
1 1 1   17    2   14 o  175.979   9.8578  389.689   43.146  406.206   63.812  375.780   58.560  178.912   14.405  172.166   13.735 6.746490 19.90365 
1 1 1   17    2   15 o   88.707   12.064  100.735   26.032   80.026   40.219  115.666   34.150   77.850   20.431   94.611   14.951 -16.76112 25.31685 
1 1 1   17    2   16 o   98.212   11.347  122.796   27.318  153.738   42.300  100.659   35.779  109.154   15.993   87.722   16.947 21.43222 23.30162 
1 1 1   17    2   17 o  152.033   10.196  291.429   38.485  248.301   57.812  325.751   51.573  138.997   17.011  160.313   12.995 -21.31522 21.40615 
1 1 1   17    2   18 o  162.738   9.9695  333.647   40.320  344.187   61.124  325.528   53.646  164.380   15.058  160.134   13.542 4.245804 20.25182 
1 1 1   17    2   19 o  189.814   10.197  453.713   48.158  386.138   71.897  508.701   64.856  173.749   16.779  200.503   13.024 -26.75404 21.24074 
1 1 1   17    2   20 o  283.735   11.170  1012.37   79.147  997.184  115.619  1025.76  108.575  279.930   16.614  284.315   15.349 -4.384369 22.61930 
1 1 1   17    2   21 o  161.162   10.280  327.658   41.158  265.415   62.903  374.253   54.425  143.362   17.965  171.829   12.775 -28.46675 22.04438 
1 1 1   17    2   22 o   58.893   16.057   45.449   24.265   8.0330   39.439   68.238   30.779   48.024   19.955   71.829   17.354 -23.80453 26.44545 
1 1 1   17    2   23 o  103.410   19.923  141.536   49.583   93.595   97.549  158.236   57.576   90.151   33.078  108.952   21.921 -18.80078 39.68242 
1 1 1   17    2   24 f   99.895   20.193  132.852   48.640  153.095  100.773  126.703   55.538  106.001   33.782   96.847   23.257 9.153976 41.01357 
1 1 1   17    2   25 o  229.213   10.643  662.698   60.918  531.379   89.321  776.902   83.297  202.695   17.828  247.050   13.554 -44.35542 22.39493 
1 1 1   17    2   26 o   59.699   16.445   47.185   25.297   59.660   36.374   35.498   35.206   67.205   20.109   55.849   19.956 11.35623 28.33073 
1 1 1   17    2   27 o   81.097   14.126   86.342   27.568   83.468   38.108   89.497   39.930   78.491   19.523   81.214   19.855 -2.722969 27.84569 
1 1 1   17    2   28 o  141.451   10.671  255.154   37.417  230.040   53.274  279.604   52.564  132.355   16.475  146.848   14.524 -14.49377 21.96345 
1 1 1   17    2   29 o   82.349   13.827   89.412   27.426   73.598   35.863  111.691   42.566   73.280   19.322   90.345   19.443 -17.06526 27.41132 
1 1 1   17    2   30 o  181.618   13.159  426.814   59.278  312.096   72.119  665.721  104.075  151.986   19.448  223.162   18.852 -71.17545 27.08542 
1 1 1   17    2   31 o   64.844   15.783   57.201   25.316   66.824   30.326   35.079   45.980   69.734   17.456   57.937   22.386 11.79739 28.38697 
1 1 1   17    2   32 o   99.979   12.757  131.120   31.125  117.104   38.553  157.355   52.744   92.590   17.311  105.964   20.675 -13.37411 26.96494 
1 1 1   17    2   33 o  107.740   12.635  152.364   33.348  120.086   41.033  215.162   57.233   93.031   18.315  124.880   18.948 -31.84850 26.35227 
1 1 1   17    2   34 o   40.829   15.120   18.271   20.459   18.774   22.531   15.904   48.852   42.029   15.806   52.183   21.982 -10.15485 27.07461 
1 1 1   17    2   35 o  152.406   12.951  306.873   48.822  282.244   62.397  345.756   78.402  142.666   17.909  155.615   20.688 -12.94954 27.36305 
1 1 1   17    3    0 o  567.776   26.051  4117.39  369.357  4023.76  520.399  4212.44  524.321  553.308   37.892  566.645   37.262 -13.33722 53.14332 
1 1 1   17    3    1 o  377.294   19.168  1804.02  180.004  1895.62  252.768  1709.77  256.398  384.233   26.506  364.067   28.428 20.16592 38.86759 
1 1 1   17    3    2 o   48.056   15.945   27.591   22.328   41.399   36.997   19.680   28.003   59.769   20.526   46.525   17.594 13.24451 27.03418 
1 1 1   17    3    3 o  342.951   12.322  1476.34  105.528  1501.16  149.876  1451.94  148.611  344.472   17.481  338.725   17.630 5.746887 24.82721 
1 1 1   17    3    4 o   71.872   12.768   66.788   22.077   49.114   32.081   82.685   30.426   62.189   18.948   79.646   15.855 -17.45645 24.70671 
1 1 1   17    3    5 o  123.297   9.6830  191.630   29.574  193.754   42.923  189.710   40.804  123.318   14.198  122.107   13.614 1.211113 19.66975 
1 1 1   17    3    6 o  300.012   10.678  1128.68   79.997  1220.75  114.462  1040.76  111.849  311.406   14.719  286.965   15.667 24.44147 21.49710 
1 1 1   17    3    7 o  244.468   10.584  749.484   64.614  749.322   92.229  749.639   90.551  243.408   15.250  243.517   14.963 -0.1097412 21.36513 
1 1 1   17    3    8 o  249.560   10.290  780.949   64.127  814.717   91.933  748.948   89.495  253.952   14.557  243.405   14.794 10.54683 20.75518 
1 1 1   17    3    9 o  338.328   12.200  1438.07  103.076  1398.92  146.584  1476.37  144.974  332.099   17.740  341.818   16.984 -9.718964 24.55917 
1 1 1   17    3   10 o  115.675   10.402  169.183   29.727  149.205   43.509  186.673   40.710  107.439   16.764  121.031   13.712 -13.59173 21.65743 
1 1 1   17    3   11 o   87.731   11.688   98.353   24.969   99.046   37.491   97.800   33.472   86.914   17.871   86.673   16.056 0.2410202 24.02436 
1 1 1   17    3   12 o  189.833   13.901  456.237   65.439  433.904   89.997  481.291   95.321  183.757   19.932  193.617   20.003 -9.860214 28.23855 
1 1 1   17    3   13 o  173.941   13.667  383.319   58.886  349.659   80.912  421.225   85.862  164.663   20.094  181.153   19.277 -16.49005 27.84522 
1 1 1   17    3   14 o  353.085   18.107  1584.71  159.111  1523.88  223.716  1646.98  226.341  342.859   26.331  356.877   25.567 -14.01791 36.70121 
1 1 1   17    3   15 o  253.998   14.908  816.910   94.145  715.085  131.268  924.761  135.097  235.416   22.607  268.765   20.278 -33.34914 30.36934 
1 1 1   17    3   16 o  183.935   10.291  425.943   47.080  377.439   69.430  467.228   64.055  171.985   16.363  192.131   13.435 -20.14645 21.17243 
1 1 1   17    3   17 o  127.508   10.192  205.347   32.181  245.252   49.773  176.683   42.185  138.667   14.593  117.432   14.708 21.23594 20.71892 
1 1 1   17    3   18 o  181.087   10.157  412.900   45.746  353.247   67.963  462.313   61.856  166.232   16.594  191.153   13.036 -24.92134 21.10211 
1 1 1   17    3   19 o  441.608   14.677  2462.94  161.859  2379.13  231.027  2543.73  226.838  431.257   21.452  446.463   20.346 -15.20624 29.56634 
1 1 1   17    3   20 o  171.836   10.066  371.994   43.003  328.817   65.106  405.409   57.276  160.268   16.503  178.918   12.906 -18.64922 20.95061 
1 1 1   17    3   21 o   69.186   14.730   62.763   24.668   53.503   40.204   68.353   31.240   65.605   21.378   71.946   17.546 -6.341141 27.65660 
1 1 1   17    3   22 o  230.641   10.525  668.681   60.618  584.682   89.819  738.944   82.147  213.892   16.955  241.525   13.676 -27.63271 21.78321 
1 1 1   17    3   23 o   73.535   14.392   70.726   25.482   77.279   40.926   66.578   32.564   76.343   20.870   70.921   18.274 5.421585 27.73949 
1 1 1   17    3   24 o  155.125   10.342  304.110   39.835  309.187   61.384  300.417   52.356  155.125   16.080  153.458   13.810 1.667114 21.19632 
1 1 1   17    3   25 o   90.603   23.736  111.117   54.346   0.0000   0.0000  111.117   54.346  ?   ?    90.603   23.736 0.000000 23.73579 
1 1 1   17    3   26 o  162.138   31.148  367.393  121.531  367.393  121.531   0.0000   0.0000  162.138   31.148  ?   ?  0.000000 31.14783 
1 1 1   17    3   27 o  102.355   11.734  134.428   29.451  115.464   42.055  152.679   41.258   92.866   18.780  108.090   15.748 -15.22312 24.50893 
1 1 1   17    3   28 o   52.087   15.916   35.188   22.614   19.506   29.732   56.711   34.831   46.633   18.006   65.346   19.706 -18.71238 26.69361 
1 1 1   17    3   29 o  106.905   11.764  147.228   30.887  115.149   42.209  184.203   45.316   92.136   18.977  118.420   15.712 -26.28457 24.63753 
1 1 1   17    3   30 o   83.011   13.548   90.749   27.116   89.851   35.127   92.073   42.655   81.271   17.801   81.437   20.877 -0.1665039 27.43593 
1 1 1   17    3   31 o   37.422   14.562   12.010   19.562   11.059   22.680   14.776   38.663   38.843   15.505   48.580   19.929 -9.737556 25.24983 
1 1 1   17    3   32 o   70.740   17.443   68.848   30.620   70.535   32.323   54.097   95.594   71.450   18.096   75.111   31.127 -3.660934 36.00494 
1 1 1   17    3   33 o   67.811   15.517   62.721   25.708   64.314   30.153   58.480   49.193   68.160   17.595   66.575   23.611 1.585304 29.44598 
1 1 1   17    3   34 o   42.656   15.341   21.122   20.837   25.438   23.354   4.2700   46.142   45.940   16.271   48.298   20.877 -2.358437 26.46909 
1 1 1   17    3   35 o   82.826   14.604   93.010   29.103   88.198   34.083  105.959   55.914   79.286   17.666   83.612   24.913 -4.326141 30.54070 
1 1 1   17    3   36 o   81.866   15.387   92.342   30.302  107.180   35.566   53.050   57.876   87.584   16.873   64.435   25.054 23.14832 30.20630 
1 1 1   17    4    0 o  640.463   28.980  5266.85  463.489  5100.61  653.210  5435.42  657.759  619.352   42.491  640.459   41.348 -21.10663 59.28845 
1 1 1   17    4    1 o  225.167   14.724  640.343   82.337   0.0000   0.0000  640.343   82.337  ?   ?   225.167   14.724 0.000000 14.72444 
1 1 1   17    4    2 o   83.080   17.709   90.358   35.618   90.358   35.618   0.0000   0.0000   83.080   17.709  ?   ?  0.000000 17.70941 
1 1 1   17    4    3 o  460.390   15.437  2668.33  177.479  2667.97  251.416  2668.70  250.573  458.443   21.961  458.532   21.883 -0.8944702E-01 31.00286 
1 1 1   17    4    4 o   90.401   11.433  104.120   25.233  107.855   36.606  100.738   34.831   91.100   16.707   88.014   16.452 3.085869 23.44762 
1 1 1   17    4    5 o  122.383   10.010  188.928   30.323  143.766   43.565  231.369   42.233  105.436   17.135  135.152   12.661 -29.71703 21.30489 
1 1 1   17    4    6 o  202.984   10.389  517.855   52.483  415.845   74.489  618.419   73.959  180.818   16.685  221.409   13.440 -40.59126 21.42491 
1 1 1   17    4    7 o  118.638   9.6972  177.537   28.478  187.152   41.334  168.848   39.291  121.204   13.908  115.034   13.964 6.170166 19.70875 
1 1 1   17    4    8 o  386.669   13.098  1879.48  126.475  1880.22  179.504  1878.76  178.227  385.411   18.651  385.298   18.524 0.1135864 26.28650 
1 1 1   17    4    9 o  326.507   11.566  1338.35   94.305  1367.76  134.569  1309.98  132.198  329.177   16.371  321.713   16.511 7.463928 23.25096 
1 1 1   17    4   10 o  272.612   11.211  932.826   76.323  859.230  108.460  1005.02  107.421  260.270   16.777  281.919   15.316 -21.64929 22.71676 
1 1 1   17    4   11 o  244.273   10.366  748.486   63.231  739.489   90.600  757.029   88.289  241.722   15.085  244.703   14.513 -2.981583 20.93266 
1 1 1   17    4   12 o  120.125   10.309  182.334   30.624  122.284   44.887  234.621   41.885   96.525   19.297  136.053   12.467 -39.52789 22.97380 
1 1 1   17    4   13 o  329.696   12.018  1366.13   98.949  1357.90  141.226  1374.07  138.680  327.106   17.351  329.180   16.928 -2.074768 24.24081 
1 1 1   17    4   14 o  252.773   10.585  801.939   66.815  792.515   96.460  810.631   92.638  250.073   15.523  253.112   14.720 -3.038528 21.39260 
1 1 1   17    4   15 o  308.927   11.982  1199.75   92.433  1172.50  132.633  1225.48  128.886  303.732   17.562  310.809   16.667 -7.076508 24.21141 
1 1 1   17    4   16 o  372.234   18.588  1759.09  172.785  1646.67  243.006  1874.04  245.725  355.691   27.574  380.403   26.024 -24.71268 37.91530 
1 1 1   17    4   17 o  101.463   15.171  132.766   37.260   80.235   51.281  191.513   54.231   78.748   23.948  121.524   18.450 -42.77615 30.23087 
1 1 1   17    4   18 o  195.124   13.916  482.396   67.361  467.990   94.889  497.032   95.640  190.630   20.243  196.661   19.741 -6.030441 28.27516 
1 1 1   17    4   19 o  236.619   10.924  703.406   64.549  572.157   94.344  818.916   88.507  211.556   18.030  254.437   13.983 -42.88031 22.81723 
1 1 1   17    4   20 o  109.649   11.105  152.627   29.987  142.472   47.045  159.576   38.918  104.336   18.745  111.559   14.299 -7.222931 23.57656 
1 1 1   17    4   21 o  100.064   11.541  127.580   28.310  139.960   45.018  119.483   36.410  103.508   18.074   95.961   15.740 7.547676 23.96711 
1 1 1   17    4   22 o  137.391   10.567  238.602   35.977  222.180   56.086  250.084   46.897  131.115   17.572  140.137   13.571 -9.022400 22.20255 
1 1 1   17    4   23 o   92.035   12.433  108.659   27.843   74.101   44.414  131.035   35.738   75.197   22.153  100.766   14.630 -25.56882 26.54804 
1 1 1   17    4   24 o  304.685   12.040  1170.56   91.605  987.823  132.790  1336.48  126.534  277.153   19.307  324.482   15.616 -47.32889 24.83170 
1 1 1   17    4   25 o  143.820   13.150  263.745   46.705  239.659  117.812  268.237   50.873  130.188   35.334  144.790   14.255 -14.60214 38.10156 
1 1 1   17    4   26 o  226.981   12.562  654.011   70.923  558.584   89.116  818.878  117.134  208.157   17.301  251.629   18.776 -43.47166 25.53175 
1 1 1   17    4   27 o  198.376   13.119  501.891   64.623  462.912  138.670  512.704   73.038  181.712   31.713  199.970   14.730 -18.25821 34.96725 
1 1 1   17    4   28 f  150.782   17.568  297.489   64.908  229.763  119.261  325.992   77.370  124.418   36.202  156.808   20.230 -32.38995 41.47101 
1 1 1   17    4   29 o  100.567   12.010  130.427   29.564   94.497   40.926  169.638   42.754   83.239   19.949  113.823   15.440 -30.58390 25.22667 
1 1 1   17    4   30 o  157.337   10.609  315.806   41.441  324.240   58.635  307.388   58.578  157.764   15.066  153.389   15.506 4.375168 21.62018 
1 1 1   17    4   31 o   40.258   14.738   17.404   19.349   11.868   22.773   31.775   36.692   39.330   15.587   54.041   20.201 -14.71063 25.51564 
1 1 1   17    4   32 o   62.853   15.803   53.642   24.777   76.142   30.364   8.8090   42.862   74.761   16.687   48.649   20.547 26.11226 26.46920 
1 1 1   17    4   33 o  107.948   12.883  152.486   34.043  151.831   43.583  153.510   54.522  105.974   17.047  104.300   21.643 1.674461 27.54986 
1 1 1   17    4   34 f   37.571   14.818   11.565   20.486   8.8214   20.814   96.341  115.707   36.481   14.750   85.219   34.662 -48.73794 37.66967 
1 1 1   17    4   35 o   84.214   14.630   95.726   29.650   86.788   35.296  117.153   54.651   78.602   18.321   88.725   24.060 -10.12289 30.24085 
1 1 1   17    4   36 o  124.436   13.015  204.839   39.844  194.200   49.521  224.369   67.096  118.734   17.203  123.927   22.510 -5.193253 28.33107 
1 1 1   17    5    0 o  162.974   11.269  334.637   45.579  340.048   77.019  331.720   56.543  162.902   19.309  161.842   14.132 1.059814 23.92824 
1 1 1   17    5    1 o  433.378   20.446  2378.42  221.268  2378.42  221.268   0.0000   0.0000  433.378   20.446  ?   ?  0.000000 20.44566 
1 1 1   17    5    2 o  168.789   9.7918  358.077   41.095  339.652   59.029  375.406   57.246  163.703   14.593  172.357   13.406 -8.653717 19.81587 
1 1 1   17    5    3 o  453.072   14.930  2582.78  168.915  2572.58  239.206  2592.92  238.560  450.410   21.267  452.233   21.124 -1.823029 29.97565 
1 1 1   17    5    4 o  281.060   11.322  990.765   79.464  950.342  112.753  1030.66  112.007  274.085   16.551  285.639   15.764 -11.55441 22.85719 
1 1 1   17    5    5 o  349.132   12.568  1530.58  109.576  1510.42  155.465  1550.48  154.466  345.329   18.091  349.986   17.732 -4.656921 25.33187 
1 1 1   17    5    6 o  378.740   13.238  1802.58  125.198  1770.65  177.411  1834.26  176.705  373.615   19.079  380.871   18.579 -7.255707 26.63051 
1 1 1   17    5    7 o  180.394   8.8559  407.524   39.894  446.158   57.499  371.662   55.397  188.097   12.309  171.493   13.033 16.60378 17.92710 
1 1 1   17    5    8 o  337.095   12.323  1427.22  103.734  1325.09  147.027  1528.45  146.378  323.170   18.294  347.954   16.846 -24.78461 24.86879 
1 1 1   17    5    9 o  348.240   12.098  1523.11  105.207  1598.81  149.763  1449.36  147.827  355.809   16.855  338.170   17.566 17.63873 24.34459 
1 1 1   17    5   10 o  188.362   9.6345  445.860   45.166  442.332   65.004  449.153   62.803  186.944   14.027  188.494   13.430 -1.550171 19.41951 
1 1 1   17    5   11 o  213.080   10.085  569.357   53.663  516.010   76.710  620.484   75.097  201.715   15.344  221.637   13.635 -19.92197 20.52640 
1 1 1   17    5   12 o  228.997   10.479  657.902   59.924  628.544   85.905  685.726   83.631  222.667   15.547  232.852   14.454 -10.18541 21.22801 
1 1 1   17    5   13 o  422.534   14.168  2249.24  149.495  2204.14  212.301  2293.60  210.545  416.280   20.423  424.862   19.845 -8.581604 28.47649 
1 1 1   17    5   14 o  162.408   9.7444  331.940   39.337  323.549   57.646  339.252   53.813  159.543   14.632  163.648   13.283 -4.105087 19.76193 
1 1 1   17    5   15 f  178.792   9.8783  402.166   43.933  353.873   64.158  444.804   60.284  166.698   15.594  187.572   12.950 -20.87344 20.26945 
1 1 1   17    5   16 o  210.455   10.350  555.858   54.393  481.230   78.857  623.590   75.125  194.408   16.396  222.090   13.612 -27.68221 21.31001 
1 1 1   17    5   17 o  283.070   10.973  1006.36   77.565  1061.25  112.192  956.110  107.354  289.424   15.580  274.637   15.719 14.78729 22.13198 
1 1 1   17    5   18 o  161.715   10.105  329.448   40.603  300.513   60.500  353.161   54.770  153.359   16.035  166.943   13.247 -13.58363 20.79877 
1 1 1   17    5   19 o  319.363   16.894  1295.43  134.255  1168.57  188.953  1424.76  190.789  300.043   25.459  332.566   23.117 -32.52328 34.38823 
1 1 1   17    5   20 o   76.911   17.321   77.918   32.468   60.791   45.384   95.873   46.468   69.842   22.712   84.979   21.793 -15.13721 31.47611 
1 1 1   17    5   21 o  177.658   13.630  400.329   60.009  338.313   84.445  463.595   85.291  161.282   21.503  190.167   18.182 -28.88515 28.15949 
1 1 1   17    5   22 o  142.682   10.440  257.103   36.941  189.413   57.077  305.895   48.459  120.399   19.663  155.327   12.602 -34.92857 23.35461 
1 1 1   17    5   23 o  103.506   11.495  136.445   29.209  130.231   47.165  140.311   37.202   99.333   19.710  104.354   14.682 -5.021347 24.57712 
1 1 1   17    5   24 o  179.102   10.458  404.690   46.570  259.219   71.082  514.089   61.642  140.733   20.858  201.564   12.305 -60.83163 24.21695 
1 1 1   17    5   25 o  265.657   11.140  888.966   73.904  847.191  108.456  925.176  100.976  257.331   16.973  269.639   15.056 -12.30887 22.68871 
1 1 1   17    5   26 o  249.134   10.701  782.126   66.574  645.572   98.107  898.672   90.635  223.934   17.688  265.942   13.694 -42.00778 22.36950 
1 1 1   17    5   27 o  165.755   10.439  347.832   42.988  322.883   64.553  367.711   57.623  158.004   16.609  169.614   13.722 -11.60924 21.54452 
1 1 1   17    5   28 o  245.888   10.787  764.273   66.233  700.337   97.138  819.824   90.545  232.796   16.823  253.083   14.386 -20.28635 22.13523 
1 1 1   17    5   29 o   65.927   19.418   57.936   34.127  160.492  106.844   46.285   36.014  105.641   34.872   60.635   20.256 45.00507 40.32782 
1 1 1   17    5   30 o  237.846   17.366  740.066  102.434  739.653  168.451  740.309  129.031  227.660   30.389  234.491   22.304 -6.831406 37.69551 
1 1 1   17    5   31 o  100.488   12.035  130.745   29.600  120.960   39.450  143.351   44.775   94.862   17.291  103.176   18.035 -8.313744 24.98456 
1 1 1   17    5   32 o   95.107   12.469  117.927   28.900  114.493   37.300  123.086   45.714   92.173   16.825   94.376   20.017 -2.203011 26.14943 
1 1 1   17    5   33 o   58.406   15.070   46.158   22.127   28.422   26.022   92.458   42.044   48.712   17.184   81.148   20.686 -32.43633 26.89218 
1 1 1   17    5   34 o   57.028   15.902   44.173   23.498   47.716   27.216   33.798   46.578   59.187   17.315   57.453   22.438 1.733791 28.34175 
1 1 1   17    5   35 o   66.298   15.334   60.112   24.882   49.069   28.847   92.201   49.173   59.787   17.912   79.586   23.271 -19.79932 29.36661 
1 1 1   17    5   36 o   60.859   17.232   51.511   27.375   47.011   27.829  186.190  152.236   58.364   17.617  100.302   40.124 -41.93863 43.82102 
1 1 1   17    5   37 o   94.589   14.139  120.685   32.372  116.900   38.458  129.886   59.961   91.358   17.495   91.495   25.363 -0.1370392 30.81124 
1 1 1   17    6    0 o  239.407   10.533  718.396   62.970  740.917   89.996  696.795   88.137  242.210   14.952  234.831   15.110 7.378845 21.25771 
1 1 1   17    6    1 o  522.878   16.992  3447.70  221.869  3420.08  313.866  3475.28  313.676  518.133   24.258  522.387   24.046 -4.254700 34.15612 
1 1 1   17    6    2 o  619.337   19.413  4851.71  300.241  4806.61  424.714  4896.76  424.496  612.344   27.775  618.220   27.497 -5.875671 39.08329 
1 1 1   17    6    3 o  518.542   16.253  3388.15  210.458  3382.83  297.933  3393.46  297.333  515.729   23.134  516.573   23.049 -0.8442383 32.65650 
1 1 1   17    6    4 o  465.642   15.258  2729.46  177.414  2700.20  251.237  2758.56  250.567  461.183   21.815  466.243   21.521 -5.060028 30.64399 
1 1 1   17    6    5 o  222.484   10.264  620.379   57.025  604.973   81.272  635.319   80.034  218.741   14.969  224.293   14.365 -5.552277 20.74610 
1 1 1   17    6    6 o  140.806   9.7440  249.590   34.051  235.984   48.914  262.383   47.432  136.181   14.612  143.887   13.353 -7.705734 19.79403 
1 1 1   17    6    7 o  255.713   11.001  820.169   70.249  776.651   99.755  862.981   98.943  247.663   16.219  261.327   15.228 -13.66353 22.24745 
1 1 1   17    6    8 o  492.725   16.129  3061.90  198.450  2992.64  281.011  3130.80  280.290  484.530   23.225  495.843   22.637 -11.31281 32.43169 
1 1 1   17    6    9 o   93.092   10.935  110.193   24.935   95.627   36.615  122.791   34.052   85.439   17.742   97.748   14.380 -12.30962 22.83763 
1 1 1   17    6   10 o  178.587   9.5305  400.829   42.349  418.083   60.870  384.642   58.957  181.817   13.503  174.328   13.652 7.489105 19.20196 
1 1 1   17    6   11 o  329.090   11.953  1360.39   98.226  1393.19  140.081  1328.67  137.773  331.605   16.973  323.780   17.100 7.825165 24.09391 
1 1 1   17    6   12 o  132.256   9.9424  220.558   32.596  214.232   47.713  226.095   44.637  129.512   15.033  133.358   13.594 -3.846466 20.26739 
1 1 1   17    6   13 o  239.818   10.134  721.372   60.688  679.609   86.962  761.021   84.734  231.653   15.116  245.452   13.881 -13.79918 20.52241 
1 1 1   17    6   14 o  185.096   9.8710  430.871   45.461  415.618   66.271  444.427   62.478  180.964   14.794  187.427   13.438 -6.463257 19.98639 
1 1 1   17    6   15 o  260.799   10.815  853.854   70.433  832.536  101.054  873.994   98.221  256.253   15.870  262.782   15.030 -6.529022 21.85786 
1 1 1   17    6   16 o   82.432   12.150   87.232   24.261   79.247   37.009   93.250   32.127   77.488   19.219   84.598   15.788 -7.110809 24.87273 
1 1 1   17    6   17 o  117.975   10.410  176.028   30.354  185.240   46.569  169.222   40.026  120.060   15.926  115.006   14.242 5.054680 21.36471 
1 1 1   17    6   18 o  271.223   11.019  923.962   74.632  938.411  107.990  910.751  103.260  272.000   15.969  268.072   15.491 3.928345 22.24809 
1 1 1   17    6   19 o  245.741   10.828  758.439   66.445  698.364   96.766  812.033   91.397  234.311   16.646  253.285   14.511 -18.97409 22.08286 
1 1 1   17    6   20 o   86.759   12.155   96.500   25.611   77.406   40.255  109.484   33.196   76.598   20.598   91.969   14.969 -15.37094 25.46277 
1 1 1   17    6   21 o  254.642   10.851  814.683   68.999  798.609  101.441  828.523   94.129  250.635   16.296  255.699   14.805 -5.064728 22.01704 
1 1 1   17    6   22 o  199.027   13.860  502.176   68.454  423.940   96.389  581.792   97.235  180.707   21.800  213.113   18.453 -32.40538 28.56165 
1 1 1   17    6   23 o  112.621   14.547  162.858   39.956  129.068   56.594  196.439   56.419   98.232   23.404  122.804   19.012 -24.57198 30.15329 
1 1 1   17    6   24 o  258.188   15.512  847.600   99.548   0.0000   0.0000  847.600   99.548  ?   ?   258.188   15.512 0.000000 15.51185 
1 1 1   17    6   25 o  186.777   12.638  442.216   58.600  437.105   74.648  450.422   94.594  184.762   16.348  186.218   20.692 -1.455841 26.37060 
1 1 1   17    6   26 o   99.914   12.231  127.861   29.880   78.343   46.412  162.913   39.049   76.972   22.638  112.524   14.214 -35.55156 26.73006 
1 1 1   17    6   27 o  272.546   11.065  937.255   75.309  807.452  110.497  1049.85  102.914  250.330   17.792  287.436   14.338 -37.10620 22.85008 
1 1 1   17    6   28 o  199.009   10.600  501.370   52.487  495.086   78.092  506.547   70.885  196.019   16.096  198.910   14.367 -2.890213 21.57534 
1 1 1   17    6   29 o  120.929   10.803  186.432   32.280  123.023   46.388  245.960   44.946   95.460   20.095  138.402   13.163 -42.94245 24.02275 
1 1 1   17    6   30 o  384.844   13.469  1893.54  129.436  1671.18  185.554  2104.28  180.645  355.118   21.018  402.019   17.994 -46.90128 27.66812 
1 1 1   17    6   31 o  128.022   15.095  214.298   47.330  273.732  122.408  203.850   51.322  133.005   35.983  124.082   17.011 8.922119 39.80126 
1 1 1   17    6   32 o  131.105   18.238  230.337   58.094  396.617  129.388  188.352   65.016  161.865   33.126  115.931   23.267 45.93311 40.48075 
1 1 1   17    6   33 o  105.709   11.770  144.795   30.543  123.494   38.957  178.776   49.205   95.686   16.923  115.213   17.666 -19.52724 24.46380 
1 1 1   17    6   34 o   70.443   14.800   66.936   25.207   70.335   30.400   59.456   45.096   71.556   17.221   66.681   22.664 4.874702 28.46478 
1 1 1   17    6   35 o   91.931   12.921  111.399   28.844   94.398   35.205  146.114   50.307   82.734   17.582  101.993   20.464 -19.25929 26.97952 
1 1 1   17    6   36 o  100.662   13.097  133.930   32.143  134.937   39.416  131.931   55.534   99.542   16.430   94.613   23.587 4.929047 28.74550 
1 1 1   17    6   37 o  129.681   13.494  222.928   43.057  248.407   55.010  182.633   69.181  134.988   16.673  109.256   25.774 25.73209 30.69662 
1 1 1   17    7    0 o  150.546   14.634  287.769   54.320  287.769   54.320   0.0000   0.0000  150.546   14.634  ?   ?  0.000000 14.63401 
1 1 1   17    7    1 o  169.403   10.243  360.945   43.128  361.896   61.469  360.023   60.527  168.976   14.714  168.569   14.520 0.4071808 20.67245 
1 1 1   17    7    2 o  189.658   9.6925  451.775   45.751  429.360   64.878  473.948   64.528  184.247   14.211  193.760   13.419 -9.513412 19.54501 
1 1 1   17    7    3 o  302.347   11.823  1147.04   89.262  1104.17  126.361  1189.73  126.110  295.347   17.207  306.771   16.523 -11.42456 23.85596 
1 1 1   17    7    4 o  443.833   15.115  2479.66  167.521  2455.90  237.181  2503.32  236.642  439.851   21.594  444.164   21.335 -4.312744 30.35579 
1 1 1   17    7    5 o  303.475   10.812  1154.79   81.934  1190.46  116.422  1119.78  115.330  307.500   15.161  297.770   15.564 9.729980 21.72793 
1 1 1   17    7    6 o  331.965   12.076  1383.37  100.109  1343.96  142.020  1422.29  141.135  325.783   17.521  335.327   16.909 -9.543976 24.34974 
1 1 1   17    7    7 o  458.052   15.066  2642.19  172.334  2658.18  244.199  2626.32  243.238  457.468   21.376  454.702   21.422 2.766174 30.26279 
1 1 1   17    7    8 o  131.297   9.9543  217.297   32.395  218.011   46.796  216.639   44.890  130.811   14.573  130.496   13.994 0.3146515 20.20390 
1 1 1   17    7    9 o  226.971   10.562  646.086   59.865  584.567   85.133  706.264   84.200  214.706   15.993  236.444   14.328 -21.73782 21.47244 
1 1 1   17    7   10 o  220.789   10.113  611.215   55.757  548.231   79.409  672.464   78.307  207.980   15.399  230.798   13.647 -22.81865 20.57625 
1 1 1   17    7   11 f  367.502   12.959  1698.24  118.924  1725.18  168.870  1671.73  167.505  369.114   18.321  362.837   18.549 6.276703 26.07131 
1 1 1   17    7   12 f  225.316   10.349  636.800   58.229  586.779   83.279  684.646   81.449  215.109   15.610  232.758   14.079 -17.64899 21.02104 
1 1 1   17    7   13 o  390.685   13.091  1920.18  127.721  1913.18  181.475  1927.06  179.786  388.456   18.708  389.941   18.463 -1.484467 26.28446 
1 1 1   17    7   14 o  179.546   9.7091  405.381   43.370  392.560   62.703  417.142   60.052  175.922   14.399  181.576   13.337 -5.654770 19.62700 
1 1 1   17    7   15 o   90.952   11.627  105.589   25.803  113.511   39.227   99.547   34.258   93.231   17.491   87.394   16.297 5.837471 23.90691 
1 1 1   17    7   16 o   77.925   12.690   78.322   23.843   78.707   36.546   78.036   31.462   77.234   19.064   77.087   16.817 0.1476746 25.42139 
1 1 1   17    7   17 o  221.163   10.227  613.780   56.484  587.525   82.011  637.474   77.908  215.180   15.363  224.487   13.967 -9.306641 20.76308 
1 1 1   17    7   18 o  137.178   10.103  237.384   34.366  235.526   51.784  238.846   45.940  135.690   15.564  137.037   13.605 -1.346497 20.67182 
1 1 1   17    7   19 o  178.818   10.186  402.585   45.296  368.773   67.212  430.721   61.312  170.056   16.016  184.439   13.403 -14.38300 20.88448 
1 1 1   17    7   20 o  130.712   10.202  215.738   33.038  175.817   50.486  245.640   43.693  116.429   17.940  139.126   12.717 -22.69631 21.99045 
1 1 1   17    7   21 o  347.578   12.687  1521.11  110.116  1467.82  158.165  1571.24  153.400  339.279   18.741  351.951   17.454 -12.67224 25.60968 
1 1 1   17    7   22 o   61.759   14.985   50.109   22.875   44.273   37.693   53.511   28.781   60.994   20.721   63.923   17.513 -2.929050 27.13023 
1 1 1   17    7   23 o  162.024   10.217  330.990   41.126  264.279   63.251  379.849   54.130  143.097   18.106  173.199   12.602 -30.10201 22.05948 
1 1 1   17    7   24 o   36.257   14.750   6.5974   20.956   6.0044   34.688   6.9382   26.298   44.796   18.672   40.021   16.429 4.775089 24.87109 
1 1 1   17    7   25 o   80.615   16.854   85.596   32.838   66.277   46.427  104.936   46.452   72.088   22.925   88.675   21.254 -16.58727 31.26181 
1 1 1   17    7   26 o  147.363   13.605  276.962   49.501  198.340   68.850  361.093   71.221  121.804   23.487  167.451   17.281 -45.64748 29.15898 
1 1 1   17    7   27 o  278.767   11.320  980.362   78.804  910.226  116.207  1040.07  107.226  266.153   17.583  285.621   15.087 -19.46814 23.16880 
1 1 1   17    7   28 o  127.581   10.824  206.864   34.159  194.257   52.068  216.389   45.259  121.842   17.625  129.707   14.205 -7.865005 22.63706 
1 1 1   17    7   29 f  108.319   11.324  150.046   30.178  136.810   44.422  161.391   41.125  101.511   18.193  111.382   15.181 -9.871613 23.69453 
1 1 1   17    7   30 o  251.746   11.416  804.016   71.768  749.472  104.795  852.194   98.489  239.884   17.617  257.095   15.412 -17.21077 23.40703 
1 1 1   17    7   31 o  157.089   10.449  314.207   40.755  283.484   58.430  343.314   56.874  147.189   16.163  162.970   14.114 -15.78101 21.45818 
1 1 1   17    7   32 o   60.701   14.869   49.466   22.360   39.546   27.841   67.492   37.529   55.273   17.771   70.273   20.268 -15.00010 26.95567 
1 1 1   17    7   33 o  111.309   11.931  160.314   32.646  154.759   43.216  167.698   49.823  107.626   16.615  111.261   18.588 -3.635033 24.93125 
1 1 1   17    7   34 o  145.773   18.535  286.714   65.946  321.187  141.365  277.125   74.555  137.749   39.214  141.329   21.828 -3.580017 44.87997 
1 1 1   17    7   35 o   90.897   12.897  108.717   28.454   97.109   34.993  131.369   48.883   84.225   17.219   96.610   20.872 -12.38506 27.05764 
1 1 1   17    7   36 o   74.425   14.609   74.866   26.182   64.638   31.086   99.827   48.563   68.118   18.003   82.925   22.761 -14.80754 29.01999 
1 1 1   17    7   37 o   84.037   14.761   95.582   29.846  101.791   35.833   81.518   53.930   85.626   17.353   74.703   24.780 10.92254 30.25205 
1 1 1   17    7   38 o  172.650   13.331  394.222   57.029  482.801   75.197  274.302   87.495  188.808   16.103  132.595   27.333 56.21269 31.72365 
1 1 1   17    8    0 f  252.830   10.767  801.560   67.980  866.777   96.613  737.610   95.670  262.005   14.827  241.406   15.960 20.59895 21.78477 
1 1 1   17    8    1 o  167.954   9.8722  354.674   41.223  372.086   58.729  337.763   57.877  171.483   13.832  163.246   14.343 8.237610 19.92611 
1 1 1   17    8    2 o   81.807   11.475   85.579   22.796  111.915   33.216   62.126   31.344   93.190   14.765   68.879   18.017 24.31087 23.29425 
1 1 1   17    8    3 o  188.703   9.8493  447.382   46.251  446.032   65.482  448.725   65.337  187.815   14.064  188.397   13.988 -0.5821381 19.83550 
1 1 1   17    8    4 o  240.133   10.539  722.911   63.201  696.841   89.488  748.855   89.271  234.744   15.350  243.497   14.751 -8.753052 21.28897 
1 1 1   17    8    5 o  342.198   12.574  1470.64  107.452  1464.19  152.262  1477.04  151.660  339.954   18.000  341.488   17.847 -1.533722 25.34756 
1 1 1   17    8    6 o  395.507   13.394  1966.27  132.286  1980.48  187.491  1952.19  186.673  395.602   18.979  392.752   19.033 2.850159 26.87864 
1 1 1   17    8    7 o  222.661   9.4032  621.119   52.284  665.789   74.866  578.590   73.050  229.798   13.101  214.063   13.738 15.73523 18.98315 
1 1 1   17    8    8 f  232.735   9.4050  678.648   54.660  716.428   78.134  642.438   76.494  238.373   13.177  225.609   13.642 12.76457 18.96661 
1 1 1   17    8    9 o  450.091   15.365  2553.36  172.691  2534.44  244.677  2572.15  243.770  446.245   21.957  449.649   21.710 -3.403687 30.87744 
1 1 1   17    8   10 o  252.512   10.531  799.761   66.407  768.829   94.575  829.844   93.266  246.469   15.444  256.270   14.635 -9.800980 21.27659 
1 1 1   17    8   11 o  452.903   15.138  2585.87  171.211  2571.14  242.641  2600.47  241.621  449.382   21.622  452.025   21.405 -2.642639 30.42536 
1 1 1   17    8   12 o  203.222   10.343  519.360   52.317  467.870   74.615  569.153   73.375  191.938   15.705  212.173   13.926 -20.23486 20.98987 
1 1 1   17    8   13 o  270.564   10.558  918.516   71.335  903.649  101.997  932.750   99.805  267.213   15.350  271.629   14.769 -4.415802 21.30155 
1 1 1   17    8   14 o  368.767   13.031  1710.92  120.002  1751.93  170.692  1670.83  168.742  371.768   18.386  362.508   18.704 9.259369 26.22777 
1 1 1   17    8   15 o  181.076   9.7690  412.370   44.010  398.693   63.783  424.799   60.803  177.258   14.537  183.223   13.382 -5.964645 19.75868 
1 1 1   17    8   16 o  123.865   10.276  193.816   31.498  218.484   47.205  174.018   42.289  130.823   14.704  116.541   14.870 14.28232 20.91261 
1 1 1   17    8   17 o  253.350   10.919  805.979   69.078  760.417   99.244  848.797   96.208  244.708   16.335  258.939   14.942 -14.23083 22.13784 
1 1 1   17    8   18 o  301.690   11.863  1144.17   89.374  1099.20  127.926  1187.05  124.914  294.037   17.501  305.925   16.411 -11.88870 23.99212 
1 1 1   17    8   19 o  330.790   12.505  1376.74  103.295  1329.20  147.885  1422.04  144.342  323.096   18.405  334.585   17.335 -11.48877 25.28373 
1 1 1   17    8   20 o   83.267   12.394   89.101   24.986   76.732   39.721   97.200   32.141   76.282   20.439   86.454   15.455 -10.17161 25.62428 
1 1 1   17    8   21 o  173.411   9.9017  378.578   42.701  358.939   64.447  393.946   57.010  167.815   15.555  176.386   13.035 -8.570389 20.29523 
1 1 1   17    8   22 o  123.935   10.560  194.295   32.370  155.322   50.594  221.305   42.119  108.927   19.307  131.928   12.952 -23.00092 23.24858 
1 1 1   17    8   23 o  253.758   15.092  816.901   95.205   0.0000   0.0000  816.901   95.205  ?   ?   253.758   15.092 0.000000 15.09222 
1 1 1   17    8   24 o   89.979   20.084  107.362   43.983  107.362   43.983   0.0000   0.0000   89.979   20.084  ?   ?  0.000000 20.08364 
1 1 1   17    8   25 o  230.386   10.595  667.367   60.957  598.856   90.965  723.206   82.123  216.441   16.966  238.864   13.827 -22.42307 21.88668 
1 1 1   17    8   26 o  185.192   10.144  432.491   46.732  392.439   71.610  462.202   61.676  174.908   16.594  190.870   13.017 -15.96202 21.09040 
1 1 1   17    8   27 o  351.436   15.694  1571.22  137.727  1421.09  171.730  1841.86  230.571  331.291   20.865  374.650   24.785 -43.35849 32.39799 
1 1 1   17    8   28 o   37.513   15.820   2.3877   25.351   15.874   32.454 -18.7241   40.604   46.836   18.594   41.351   18.634 5.485481 26.32405 
1 1 1   17    8   29 o   94.410   12.782  115.065   29.360  119.715   45.124  111.652   38.663   94.461   19.764   91.750   17.514 2.710922 26.40765 
1 1 1   17    8   30 o  106.770   11.739  146.258   30.782  144.531   44.742  147.809   42.416  104.388   17.802  105.988   16.568 -1.599281 24.31948 
1 1 1   17    8   31 o   55.503   15.316   40.908   21.921   28.092   28.714   58.814   33.940   49.977   18.005   66.233   19.324 -16.25652 26.41228 
1 1 1   17    8   32 o   43.667   14.891   22.957   19.467   9.5484   23.931   49.186   33.471   39.112   15.815   61.202   19.465 -22.09020 25.08035 
1 1 1   17    8   33 o   92.070   12.741  110.648   28.508  112.189   37.661  108.580   43.626   91.223   17.162   88.645   20.163 2.577286 26.47826 
1 1 1   17    8   34 o  157.963   11.637  321.068   45.579  322.793   62.839  319.152   66.210  156.188   16.354  154.708   17.442 1.480316 23.90990 
1 1 1   17    8   35 o   54.109   15.645   39.335   22.337   39.829   26.388   38.087   41.956   54.833   17.267   57.758   21.599 -2.925045 27.65274 
1 1 1   17    8   36 o  115.289   20.988  186.519   58.199  258.601  149.889  173.722   63.154  118.757   41.284  109.530   23.772 9.227211 47.63894 
1 1 1   17    8   37 o   96.518   13.059  123.211   30.667  106.005   37.190  159.762   54.206   87.473   17.635  105.827   21.250 -18.35367 27.61406 
1 1 1   17    8   38 o  141.036   13.174  262.550   45.861  284.392   59.220  229.828   72.485  144.540   16.715  124.367   24.211 20.17349 29.42037 
1 1 1   17    9    0 o  247.458   15.186  774.220   93.386  787.562  127.205  758.622  137.535  248.280   20.706  243.019   22.934 5.261200 30.89862 
1 1 1   17    9    1 o  322.529   11.727  1305.66   94.448  1279.16  133.501  1332.22  133.638  317.919   16.876  324.547   16.544 -6.627899 23.63291 
1 1 1   17    9    2 o  195.780   9.5838  480.244   46.855  486.952   66.355  473.573   66.172  196.336   13.618  193.580   13.779 2.755310 19.37271 
1 1 1   17    9    3 o  211.499   10.362  560.776   54.728  512.047   77.417  609.455   77.378  201.012   15.544  219.656   14.182 -18.64359 21.04152 
1 1 1   17    9    4 o  278.488   10.923  972.713   75.965  1007.30  107.604  938.345  107.260  282.382   15.317  272.406   15.836 9.976196 22.03142 
1 1 1   17    9    5 o  221.952   10.381  617.606   57.536  602.154   81.560  632.914   81.178  218.161   15.063  223.775   14.607 -5.613358 20.98263 
1 1 1   17    9    6 o  264.560   11.080  878.038   73.202  815.889  103.617  939.964  103.430  253.797   16.437  272.745   15.247 -18.94795 22.42003 
1 1 1   17    9    7 o  477.590   15.885  2875.97  189.452  2883.70  268.167  2868.27  267.686  475.875   22.566  474.592   22.587 1.282898 31.92807 
1 1 1   17    9    8 o  165.186   9.5430  343.058   39.197  341.703   56.252  344.337   54.649  164.235   13.845  164.949   13.383 -0.7136993 19.25551 
1 1 1   17    9    9 o  278.951   11.220  976.540   78.159  950.635  111.107  1001.92  109.969  273.982   16.313  281.441   15.710 -7.459076 22.64768 
1 1 1   17    9   10 o  133.710   9.7310  225.279   32.269  216.186   46.554  233.688   44.768  130.223   14.566  135.658   13.390 -5.435730 19.78485 
1 1 1   17    9   11 o  219.809   9.8180  605.737   53.891  617.265   77.046  594.693   75.407  220.988   14.034  216.901   13.997 4.086807 19.82091 
1 1 1   17    9   12 o  415.071   14.251  2170.04  147.709  2129.18  209.214  2210.66  208.572  408.735   20.563  417.171   20.021 -8.435638 28.70002 
1 1 1   17    9   13 o  411.704   16.400  2141.50  168.607  2102.69  207.508  2216.92  289.250  406.120   20.528  413.319   28.193 -7.199768 34.87424 
1 1 1   17    9   14 o  267.547   12.654  900.204   84.540  892.861  105.202  913.588  142.042  265.434   15.945  266.926   21.492 -1.491608 26.76096 
1 1 1   17    9   15 o  200.082   11.339  504.382   56.421  510.549   71.341  494.083   92.193  200.773   14.323  196.424   19.034 4.349518 23.82138 
1 1 1   17    9   16 o  278.106   12.577  972.838   87.343  1007.58  108.958  910.364  146.102  282.075   15.528  266.118   22.188 15.95660 27.08154 
1 1 1   17    9   17 o  123.310   11.308  192.584   34.433  201.809   45.980  180.805   51.956  125.609   14.953  118.099   18.202 7.509468 23.55610 
1 1 1   17    9   18 o  302.983   11.617  1153.67   87.898  1151.90  125.799  1155.35  122.865  301.243   16.789  301.819   16.363 -0.5752563 23.44416 
1 1 1   17    9   19 o   97.901   11.253  121.970   27.011  145.964   41.652  104.555   35.485  106.274   16.208   89.553   16.475 16.72118 23.11073 
1 1 1   17    9   20 o  154.971   9.6498  302.405   37.159  316.276   55.949  291.457   49.704  157.714   14.363  151.555   13.267 6.159103 19.55286 
1 1 1   17    9   21 o  171.605   10.013  370.814   42.722  375.224   64.288  367.326   57.172  171.706   15.149  170.196   13.564 1.509857 20.33405 
1 1 1   17    9   22 o  183.081   10.203  422.094   46.463  373.734   69.826  460.522   62.244  171.014   16.558  190.743   13.148 -19.72827 21.14304 
1 1 1   17    9   23 o  309.756   11.879  1207.24   91.882  1209.53  133.473  1205.17  126.676  308.235   17.412  307.967   16.532 0.2675476 24.01001 
1 1 1   17    9   24 f  195.775   10.148  482.638   49.440  462.958   74.821  497.891   65.869  190.563   15.867  198.242   13.384 -7.678619 20.75818 
1 1 1   17    9   25 o  161.529   10.233  329.140   41.062  251.677   63.148  385.889   54.049  139.365   18.610  174.543   12.483 -35.17783 22.40848 
1 1 1   17    9   26 o  297.316   11.664  1113.63   86.599  1064.15  126.840  1156.83  118.522  288.463   17.694  301.519   15.796 -13.05640 23.71885 
1 1 1   17    9   27 o  206.456   10.585  537.948   54.389  528.719   82.356  545.087   72.432  203.171   16.371  206.977   14.098 -3.805389 21.60479 
1 1 1   17    9   28 o  116.852   10.857  173.602   31.320  168.892   49.220  176.806   40.600  113.510   17.962  117.214   14.158 -3.704239 22.87083 
1 1 1   17    9   29 o  201.426   10.518  513.293   52.721  462.898   79.202  553.389   70.646  189.274   16.936  208.252   13.660 -18.97836 21.75837 
1 1 1   17    9   30 o   82.459   15.996   90.039   31.751   57.758   38.887  154.592   54.991   66.540   20.962  106.960   21.336 -40.42013 29.91068 
1 1 1   17    9   31 o   85.048   15.758   95.849   32.233   84.595   38.431  122.548   59.195   78.921   19.591   93.772   24.871 -14.85104 31.66072 
1 1 1   17    9   32 o   53.004   15.295   37.127   21.368   47.476   27.271   20.669   34.392   59.670   17.297   49.098   19.251 10.57202 25.88032 
1 1 1   17    9   33 o   50.141   14.967   33.036   20.167   28.399   24.809   42.068   34.627   48.550   16.801   57.949   19.859 -9.399261 26.01250 
1 1 1   17    9   34 o  187.363   10.788  448.906   50.260  385.197   70.398  515.143   71.780  170.690   16.731  198.881   14.554 -28.19090 22.17537 
1 1 1   17    9   35 o   47.635   15.232   29.267   20.474   40.353   24.031  -0.0851   39.103   54.913   16.326   44.293   19.183 10.61950 25.18918 
1 1 1   17    9   36 o   25.362   11.228  -4.0964   14.067  -3.8170   15.231  -5.7188   36.700   26.608   11.736   41.323   18.223 -14.71521 21.67511 
1 1 1   17    9   37 o   54.330   15.477   40.061   22.013   47.922   25.458   16.771   43.824   59.108   16.577   50.870   21.078 8.237514 26.81538 
1 1 1   17    9   38 o   58.466   22.507   39.239   46.345  165.052  159.220   27.593   48.443   97.093   40.199   55.389   22.465 41.70419 46.05004 
1 1 1   17   10    0 o  237.323   15.162  712.609   89.387  751.840  121.579  666.455  131.871  242.570   20.256  227.345   23.571 15.22514 31.07883 
1 1 1   17   10    1 o  292.953   11.659  1077.39   85.293  1067.40  120.675  1087.35  120.568  290.300   16.717  293.052   16.543 -2.752502 23.51881 
1 1 1   17   10    2 o  177.742   8.9918  396.723   39.781  450.250   56.880  345.474   55.657  188.967   12.118  165.188   13.614 23.77916 18.22550 
1 1 1   17   10    3 o  366.543   13.327  1689.23  121.989  1603.18  172.143  1776.04  172.895  355.180   19.483  374.648   18.480 -19.46805 26.85337 
1 1 1   17   10    4 o  326.753   11.998  1340.61   97.896  1307.20  138.386  1374.08  138.505  321.232   17.315  329.484   16.891 -8.251251 24.18906 
1 1 1   17   10    5 o  250.887   10.329  789.215   64.715  793.508   91.616  784.940   91.427  250.613   14.704  249.241   14.755 1.371536 20.83049 
1 1 1   17   10    6 o  293.319   11.862  1080.22   86.885  1034.46  122.922  1125.92  122.827  285.640   17.315  298.232   16.558 -12.59213 23.95738 
1 1 1   17   10    7 o  460.375   15.659  2672.32  180.019  2615.17  254.621  2729.45  254.550  453.084   22.504  463.076   22.013 -9.992828 31.48005 
1 1 1   17   10    8 o  198.559   9.6813  494.144   48.004  513.625   68.480  475.323   67.310  201.601   13.684  193.849   13.999 7.751846 19.57585 
1 1 1   17   10    9 o  286.357   11.316  1029.27   80.921  1042.45  114.982  1016.34  113.904  286.972   16.110  283.330   16.166 3.641907 22.82260 
1 1 1   17   10   10 o  247.761   10.771  770.203   66.639  803.012   94.957  738.363   93.542  251.939   15.164  241.455   15.597 10.48413 21.75347 
1 1 1   17   10   11 o  147.671   14.431  277.257   52.536  189.662   83.139  335.485   67.784  118.921   28.389  162.059   17.003 -43.13877 33.09132 
1 1 1   17   10   12 o  325.361   18.378  1345.34  148.708  1039.44  213.788  1632.10  206.988  281.219   30.956  356.601   23.373 -75.38239 38.78871 
1 1 1   17   10   13 o  341.743   18.350  1484.11  156.029  1356.65  224.808  1602.58  216.731  322.882   28.163  352.684   24.765 -29.80215 37.50349 
1 1 1   17   10   14 o  298.541   17.361  1131.67  128.872  937.211  186.762  1308.43  178.056  267.806   28.358  319.347   22.471 -51.54077 36.18160 
1 1 1   17   10   15 o  382.520   18.605  1856.13  177.723  2012.11  256.763  1712.66  246.243  394.445   26.217  363.226   27.349 31.21902 37.88475 
1 1 1   17   10   16 o  120.953   14.872  187.243   43.974  141.583   75.901  210.312   53.950  102.934   28.536  127.766   17.359 -24.83163 33.40126 
1 1 1   17   10   17 o  199.074   14.807  502.662   73.084  441.681  112.334  547.418   96.235  183.791   25.134  206.833   18.839 -23.04152 31.41085 
1 1 1   17   10   18 o  135.307   14.351  233.374   47.748  263.517   83.395  218.674   58.239  141.378   24.510  130.047   18.451 11.33150 30.67829 
1 1 1   17   10   19 o   91.082   16.065  107.883   35.204  210.434   73.774   77.645   40.060  126.031   24.322   76.741   20.511 49.29047 31.81587 
1 1 1   17   10   20 o  160.822   14.864  329.170   59.019  277.365   97.974  358.676   73.940  143.952   28.264  167.229   17.989 -23.27644 33.50263 
1 1 1   17   10   21 o  417.227   20.140  2218.41  209.837  2373.89  304.489  2077.78  289.580  426.295   28.771  398.375   29.315 27.92010 41.07488 
1 1 1   17   10   22 o   80.752   20.192   86.356   40.610   0.0000   0.0000   86.356   40.610  ?   ?    80.752   20.192 0.000000 20.19188 
1 1 1   17   10   23 o   62.190   20.444   47.497   36.737   47.497   36.737   0.0000   0.0000   62.190   20.444  ?   ?  0.000000 20.44416 
1 1 1   17   10   24 o  163.034   10.009  334.983   40.552  306.728   61.979  356.133   53.624  154.770   16.281  167.619   12.910 -12.84941 20.77822 
1 1 1   17   10   25 o   81.389   12.642   85.412   24.861   77.361   41.119   90.052   31.212   76.486   20.923   83.017   15.630 -6.530472 26.11637 
1 1 1   17   10   26 o  165.480   10.116  345.419   41.603  331.695   65.016  354.935   54.137  160.808   16.421  167.193   13.071 -6.384521 20.98781 
1 1 1   17   10   27 o  238.895   10.964  718.662   65.410  638.845   97.260  784.573   88.383  223.109   17.600  248.479   14.304 -25.37019 22.67954 
1 1 1   17   10   28 o  301.105   11.891  1144.88   89.408  1062.51  130.732  1217.26  122.550  287.333   18.315  308.710   15.951 -21.37698 24.28778 
1 1 1   17   10   29 o  138.025   10.356  241.516   35.434  213.681   54.577  261.799   46.589  127.941   17.544  143.088   13.187 -15.14678 21.94777 
1 1 1   17   10   30 o   89.505   12.250  103.390   26.661  115.735   39.981   93.504   35.776   93.314   17.807   83.705   17.670 9.609268 25.08682 
1 1 1   17   10   31 o   55.687   15.150   41.098   21.629   63.329   30.307   18.024   30.876   68.661   17.595   46.622   18.252 22.03918 25.35195 
1 1 1   17   10   32 o  100.060   14.007  130.666   34.040  122.663   39.699  152.888   66.153   95.877   17.214  104.115   25.619 -8.237419 30.86470 
1 1 1   17   10   33 o   66.815   16.424   60.292   27.209   57.457   30.015   73.358   64.447   65.150   17.899   75.585   27.001 -10.43493 32.39503 
1 1 1   17   10   34 o  141.459   11.865  257.621   41.527  269.475   60.245  246.889   57.321  142.373   17.301  136.236   17.234 6.137589 24.41994 
1 1 1   17   10   35 o   79.474   13.254   83.436   25.377   76.382   31.583   96.289   42.630   74.760   17.266   82.989   20.653 -8.228935 26.91947 
1 1 1   17   10   36 o   38.531   14.056   16.168   17.579   8.3167   19.821   45.101   38.050   35.705   14.409   59.543   20.795 -23.83850 25.29876 
1 1 1   17   10   37 o  110.275   13.030  159.638   35.189  172.144   45.106  140.191   56.247  113.006   16.468   98.357   23.265 14.64922 28.50346 
1 1 1   17   10   38 o   44.265   14.874   24.741   19.421   20.505   21.783   41.160   42.885   42.689   15.636   58.459   21.842 -15.76922 26.86187 
1 1 1   17   10   39 o   82.058   14.615   91.428   28.850   90.983   34.539   92.455   52.472   80.493   17.668   78.509   24.288 1.984131 30.03394 
1 1 1   17   11    0 o   86.276   16.575   97.110   34.413  104.500   41.358   80.481   62.043   89.132   19.152   80.618   26.571 8.513626 32.75427 
1 1 1   17   11    1 o  253.021   11.040  803.449   69.756  807.881   98.722  799.031   98.579  252.581   15.730  251.173   15.797 1.408432 22.29295 
1 1 1   17   11    2 o  463.099   15.748  2705.34  182.117  2749.11  257.670  2661.64  257.435  464.491   22.214  456.897   22.563 7.594513 31.66348 
1 1 1   17   11    3 o  382.862   13.449  1843.85  128.587  1788.07  181.750  1899.76  181.948  375.029   19.474  387.255   18.815 -12.22644 27.07830 
1 1 1   17   11    4 o  284.054   10.546  1012.04   74.804  1024.70  105.731  999.348  105.847  284.801   14.918  281.199   15.129 3.602203 21.24740 
1 1 1   17   11    5 o  332.903   12.246  1392.24  101.807  1327.42  143.738  1457.49  144.218  323.477   17.863  339.226   17.079 -15.74887 24.71452 
1 1 1   17   11    6 o  153.704   9.6519  297.263   36.859  295.316   52.370  299.173   51.885  152.572   13.898  153.611   13.669 -1.039230 19.49327 
1 1 1   17   11    7 o  348.987   11.976  1529.71  104.368  1583.01  147.958  1476.93  147.242  354.021   16.736  341.392   17.328 12.62939 24.09085 
1 1 1   17   11    8 o  110.105   10.281  153.345   27.942  180.990   40.502  128.238   38.598  119.133   13.874   99.588   16.067 19.54446 21.22869 
1 1 1   17   11    9 o  459.700   15.099  2664.09  173.327  2691.26  245.262  2636.99  244.980  459.838   21.359  455.098   21.556 4.740112 30.34588 
1 1 1   17   11   10 o  259.093   15.394  849.611   99.151  836.222  145.714  861.156  135.306  254.894   23.145  259.347   21.075 -4.452698 31.30190 
1 1 1   17   11   11 o  160.248   13.923  325.722   55.160  294.608   87.174  346.498   71.235  149.980   24.091  164.576   17.606 -14.59659 29.83902 
1 1 1   17   11   12 o  304.361   15.371  1171.64  116.447  1420.28  171.614  959.490  158.524  333.505   20.709  272.958   23.485 60.54767 31.31157 
1 1 1   17   11   13 o  271.851   16.319  937.041  110.271  818.879  161.081  1041.25  151.274  251.054   26.074  285.099   21.404 -34.04536 33.73413 
1 1 1   17   11   14 o  428.582   17.552  2325.80  187.845  2143.61  328.049  2414.68  229.128  403.359   32.854  435.359   21.076 -31.99966 39.03273 
1 1 1   17   11   15 o  386.189   13.124  1877.10  126.569  1942.29  179.793  1813.05  178.209  391.340   18.398  377.940   18.882 13.39993 26.36331 
1 1 1   17   11   16 o  199.444   10.065  500.290   49.965  478.250   71.955  520.814   69.435  194.132   14.958  202.871   13.788 -8.739197 20.34314 
1 1 1   17   11   17 o  192.059   10.003  464.009   47.810  410.872   68.740  513.799   66.540  179.734   15.466  201.576   13.293 -21.84247 20.39397 
1 1 1   17   11   18 o  132.956   10.210  223.118   33.639  202.291   49.433  241.083   45.909  125.501   16.148  137.700   13.526 -12.19942 21.06396 
1 1 1   17   11   19 o  121.810   10.909  187.810   32.833  140.018   48.783  227.385   44.392  103.296   19.630  133.694   13.481 -30.39868 23.81276 
1 1 1   17   11   20 o  429.201   14.960  2325.76  160.340  2164.98  227.937  2483.25  225.590  410.777   22.304  441.376   20.467 -30.59875 30.27202 
1 1 1   17   11   21 o  391.421   16.088  1938.17  157.253  1923.69  280.487  1944.81  189.905  383.109   29.547  390.918   19.454 -7.809082 35.37574 
1 1 1   17   11   22 o  260.911   12.561  856.972   81.839  1148.68  156.580  747.332   95.995  299.165   21.094  242.545   15.938 56.61975 26.43825 
1 1 1   17   11   23 o  129.553   15.576  215.222   49.381  240.376   96.223  206.229   57.536  133.218   29.684  126.009   18.865 7.209167 35.17120 
1 1 1   17   11   24 o  183.525   14.963  428.515   67.976  484.915  117.751  400.324   83.249  192.260   25.127  176.270   19.224 15.99004 31.63760 
1 1 1   17   11   25 o  290.227   16.568  1071.99  119.578  1171.77  184.037  999.089  157.309  300.059   24.783  277.771   22.882 22.28748 33.73110 
1 1 1   17   11   26 o  173.008   12.305  379.147   52.814  348.336   68.836  423.239   82.348  164.709   16.979  181.298   18.446 -16.58875 25.07084 
1 1 1   17   11   27 o  180.234   10.201  409.797   45.723  381.773   70.743  429.904   59.921  172.463   16.632  184.010   13.126 -11.54732 21.18808 
1 1 1   17   11   28 o  195.221   10.381  481.167   50.425  463.266   77.211  494.481   66.585  189.969   16.438  197.140   13.609 -7.171112 21.34025 
1 1 1   17   11   29 o   68.025   14.020   60.859   23.024   78.580   36.702   49.360   29.565   76.625   19.215   61.421   18.069 15.20467 26.37635 
1 1 1   17   11   30 o   78.348   12.795   79.827   24.169   57.059   37.152   96.531   31.823   66.098   20.435   85.676   15.442 -19.57897 25.61329 
1 1 1   17   11   31 o   76.222   13.034   75.919   23.918   75.849   34.917   75.980   32.830   75.005   18.705   75.205   17.764 -0.2004547 25.79654 
1 1 1   17   11   32 o   55.747   14.737   41.343   20.827   32.551   28.466   51.471   30.551   52.064   17.997   62.214   18.386 -10.15064 25.72847 
1 1 1   17   11   33 o  115.370   10.944  170.624   31.153  141.573   43.732  200.554   44.389  102.833   17.666  123.982   14.618 -21.14864 22.93020 
1 1 1   17   11   34 o  134.418   11.402  232.065   37.912  233.964   53.573  230.161   53.659  133.012   16.482  131.830   16.672 1.182663 23.44397 
1 1 1   17   11   35 o   74.949   15.764   75.803   28.569   62.650   30.120  193.749   90.196   67.683   17.641  112.828   31.040 -45.14594 35.70252 
1 1 1   17   11   36 o   79.327   16.286   85.361   31.181   81.929   32.706  119.607  103.317   77.334   17.361   90.856   33.911 -13.52257 38.09679 
1 1 1   17   11   37 o  149.417   12.553  290.216   46.402  333.837   62.686  237.344   69.015  158.402   16.070  129.829   22.078 28.57281 27.30685 
1 1 1   17   11   38 o   58.551   15.519   46.932   23.057   60.138   27.139   12.664   43.717   65.994   16.509   49.575   20.834 16.41911 26.58208 
1 1 1   17   11   39 o   58.423   15.429   47.023   22.845   48.187   26.474   43.628   45.202   58.979   17.027   59.627   22.395 -0.6487083 28.13303 
1 1 1   17   12    0 o  143.512   13.736  261.667   48.627  209.549   60.156  359.926   82.599  127.044   19.591  167.097   20.205 -40.05256 28.14384 
1 1 1   17   12    1 o  421.964   20.349  2264.17  214.426  2161.31  298.734  2373.48  307.965  407.246   29.577  427.168   29.043 -19.92188 41.45207 
1 1 1   17   12    2 o  151.057   11.736  288.322   43.922  292.752   51.300  276.159   85.007  151.902   13.670  145.031   24.333 6.870758 27.91046 
1 1 1   17   12    3 o  494.171   16.646  3085.73  205.423  3004.48  290.324  3167.19  290.700  484.534   23.994  497.785   23.386 -13.25085 33.50560 
1 1 1   17   12    4 o  235.840   10.138  697.542   59.708  744.493   84.684  651.127   84.198  242.765   14.029  226.795   14.951 15.97008 20.50191 
1 1 1   17   12    5 o  471.516   15.603  2804.90  183.719  2725.45  259.593  2884.64  260.045  462.227   22.490  475.801   21.886 -13.57449 31.38157 
1 1 1   17   12    6 o  318.631   11.724  1275.11   93.284  1284.64  131.971  1265.60  131.876  318.453   16.653  316.047   16.770 2.406342 23.63353 
1 1 1   17   12    7 o  226.477   10.274  643.333   58.103  611.014   82.151  675.683   82.190  219.643   15.069  231.181   14.307 -11.53735 20.77897 
1 1 1   17   12    8 o  455.374   14.935  2614.16  169.835  2614.29  240.160  2614.03  240.205  453.181   21.222  453.157   21.227 0.2407837E-01 30.01547 
1 1 1   17   12    9 o  566.017   17.444  4053.39  246.558  4066.46  348.677  4040.32  348.693  563.171   24.793  561.308   24.877 1.862366 35.12192 
1 1 1   17   12   10 o  571.503   26.156  4201.37  373.290  4355.48  531.197  4051.00  524.688  572.224   37.379  550.877   38.381 21.34686 53.57540 
1 1 1   17   12   11 o  104.442   14.065  139.810   35.751  180.799   64.637  121.743   42.913  117.059   22.932   96.457   18.489 20.60133 29.45714 
1 1 1   17   12   12 o  172.548   13.508  377.042   57.741  400.005   90.471  361.260   75.003  176.072   20.990  167.911   18.178 8.161301 27.76711 
1 1 1   17   12   13 o  116.698   10.264  172.159   29.606  176.068   43.326  168.734   40.549  117.190   15.161  114.821   14.463 2.368790 20.95273 
1 1 1   17   12   14 o  483.307   16.383  2952.91  197.728  2875.71  279.985  3029.72  279.276  473.788   23.665  486.661   22.980 -12.87360 32.98650 
1 1 1   17   12   15 o  271.941   10.787  928.417   73.256  957.212  104.543  900.640  102.680  274.961   15.286  266.638   15.488 8.323090 21.76072 
1 1 1   17   12   16 o  180.206   9.1846  408.149   41.194  454.333   59.717  366.219   56.900  189.614   12.685  170.000   13.515 19.61427 18.53537 
1 1 1   17   12   17 o  163.160   10.026  335.245   40.653  313.004   58.948  355.415   56.137  156.735   15.254  167.443   13.542 -10.70792 20.39774 
1 1 1   17   12   18 o  269.516   10.755  912.092   72.384  929.342  103.840  895.787  100.955  270.827   15.418  265.915   15.267 4.911621 21.69778 
1 1 1   17   12   19 o  365.399   12.700  1680.36  115.883  1734.43  165.290  1628.09  162.512  369.793   17.899  357.726   18.253 12.06662 25.56467 
1 1 1   17   12   20 o  209.384   10.248  550.285   53.582  508.480   77.814  587.983   73.892  199.975   15.709  215.551   13.800 -15.57555 20.90937 
1 1 1   17   12   21 o  126.860   14.175  205.443   44.137   0.0000   0.0000  205.443   44.137  ?   ?   126.860   14.175 0.000000 14.17482 
1 1 1   17   12   22 o  394.857   19.560  1985.65  192.869  1985.65  192.869   0.0000   0.0000  394.857   19.560  ?   ?  0.000000 19.56016 
1 1 1   17   12   23 o  251.242   10.945  793.232   68.669  760.999  100.209  821.767   94.286  244.557   16.505  254.608   14.894 -10.05066 22.23206 
1 1 1   17   12   24 o  268.432   11.201  905.969   75.081  876.953  109.859  931.401  102.848  262.435   16.853  270.956   15.262 -8.520874 22.73637 
1 1 1   17   12   25 o  229.929   10.423  664.292   59.846  667.677   89.574  661.563   80.432  229.070   15.755  228.422   14.171 0.6476898 21.19000 
1 1 1   17   12   26 o  209.628   12.089  555.483   63.017  615.871  135.683  538.873   71.157  216.385   25.607  206.051   13.911 10.33458 29.14100 
1 1 1   17   12   27 o   98.085   18.140  126.476   42.794   80.157   99.757  136.922   47.374   87.431   33.172  101.854   19.333 -14.42381 38.39480 
1 1 1   17   12   28 o  120.273   16.405  187.479   47.986  234.273  106.781  175.638   53.715  129.333   32.965  115.554   19.295 13.77908 38.19670 
1 1 1   17   12   29 o  131.675   16.697  224.939   53.668  201.825  113.997  231.521   60.831  119.249   35.581  132.954   18.850 -13.70478 40.26545 
1 1 1   17   12   30 o   91.078   11.812  106.670   26.233   81.826   40.826  124.140   34.236   77.942   20.647   97.723   14.466 -19.78063 25.21054 
1 1 1   17   12   31 o  141.823   10.282  255.405   36.168  221.068   54.861  281.803   48.102  129.856   17.352  148.256   13.128 -18.40022 21.75899 
1 1 1   17   12   32 o   34.830   13.697   9.2488   17.456   19.486   23.498  -3.3580   26.076   43.612   16.193   35.820   15.589 7.791992 22.47727 
1 1 1   17   12   33 o   69.326   13.723   63.668   22.917   64.586   31.035   62.568   33.983   69.048   17.863   67.975   19.184 1.073479 26.21270 
1 1 1   17   12   34 o  161.710   11.346  334.901   45.529  428.762   66.965  254.219   62.086  181.498   14.907  137.871   18.500 43.62694 23.75817 
1 1 1   17   12   35 o   39.158   14.031   17.173   17.416   25.443   20.624  -3.3843   32.515   45.436   15.328   39.766   17.354 5.670456 23.15396 
1 1 1   17   12   36 o  144.202   11.835  268.321   42.240  312.172   58.573  220.804   60.973  153.933   15.446  127.036   19.871 26.89747 25.16838 
1 1 1   17   12   37 o  123.765   11.882  198.630   36.271  185.964   47.206  216.884   56.672  117.735   16.510  126.227   18.531 -8.492004 24.81855 
1 1 1   17   12   38 o  107.213   16.936  156.137   43.838  169.200   45.776   11.601  152.265  111.684   16.945   78.125   35.555 33.55869 39.38659 
1 1 1   17   12   39 o   43.285   14.995   23.006   19.766   27.121   22.388   8.4617   42.088   46.486   15.967   47.482   20.220 -0.9951096 25.76404 
1 1 1   17   13    0 o  382.013   16.280  1845.30  155.305  1942.11  189.148  1645.01  272.073  390.884   19.378  353.669   31.123 37.21506 36.66259 
1 1 1   17   13    1 o  127.964   15.331  209.567   48.015  266.628   60.066  108.570   79.912  144.195   17.009   92.465   30.141 51.72969 34.60841 
1 1 1   17   13    2 o  391.061   16.083  1932.34  157.062  1953.71  191.196  1888.00  275.430  392.118   19.526  380.419   29.216 11.69965 35.14061 
1 1 1   17   13    3 o  213.149   12.452  573.197   65.990  612.481   78.862  481.451  120.519  219.975   14.436  191.911   25.802 28.06432 29.56585 
1 1 1   17   13    4 o   91.083   13.986  106.859   30.795  101.416   34.616  127.509   67.425   88.238   16.311   97.887   26.799 -9.648521 31.37246 
1 1 1   17   13    5 o  271.719   11.113  926.968   75.403  953.514  106.622  900.407  106.649  274.413   15.624  266.521   16.100 7.891632 22.43451 
1 1 1   17   13    6 o  263.403   11.251  871.207   74.004  885.548  104.719  856.898  104.597  264.349   15.938  259.962   16.193 4.387146 22.72046 
1 1 1   17   13    7 o  243.046   11.059  741.607   67.119  697.773   94.792  785.682   95.051  234.463   16.291  249.077   15.357 -14.61427 22.38804 
1 1 1   17   13    8 o  158.122   10.058  314.850   39.510  299.085   56.101  330.363   55.652  153.318   14.839  161.371   13.948 -8.053604 20.36458 
1 1 1   17   13    9 o  384.234   13.656  1858.91  131.032  1858.26  185.262  1859.56  185.352  382.047   19.483  382.180   19.486 -0.1329346 27.55559 
1 1 1   17   13   10 o  240.488   13.935  730.871   83.325  878.825  125.706  614.917  111.285  262.408   19.319  218.906   20.600 43.50220 28.24185 
1 1 1   17   13   11 o  344.872   17.071  1504.89  147.021  1675.40  213.562  1351.27  202.701  360.914   23.830  323.357   25.305 37.55664 34.75900 
1 1 1   17   13   12 o  124.559   9.1232  195.496   28.180  237.514   41.320  158.959   38.531  136.918   12.213  111.446   14.165 25.47115 18.70341 
1 1 1   17   13   13 o  348.485   12.618  1527.61  109.804  1511.91  155.694  1543.16  154.883  344.875   18.142  348.527   17.856 -3.651917 25.45516 
1 1 1   17   13   14 o  342.139   12.489  1472.38  106.703  1480.08  151.362  1464.77  150.445  341.295   17.822  339.526   17.806 1.769012 25.19259 
1 1 1   17   13   15 o  406.304   14.104  2080.84  143.098  2080.97  202.877  2080.71  201.870  404.359   20.092  404.372   19.991 -0.1281738E-01 28.34292 
1 1 1   17   13   16 o  166.334   8.5595  347.581   35.433  424.244   52.258  282.344   48.207  183.395   11.468  149.203   13.070 34.19255 17.38816 
1 1 1   17   13   17 o  180.943   9.9239  411.980   44.670  389.741   64.252  432.785   62.146  175.129   14.831  184.864   13.557 -9.734695 20.09333 
1 1 1   17   13   18 o  381.608   13.506  1834.65  128.701  1827.01  182.976  1842.13  181.061  378.543   19.422  380.226   19.130 -1.683197 27.26141 
1 1 1   17   13   19 o  317.297   11.659  1265.57   92.380  1311.55  132.207  1221.70  129.137  321.515   16.522  310.213   16.732 11.30142 23.51492 
1 1 1   17   13   20 o  327.028   11.505  1344.27   93.953  1454.14  135.091  1241.35  130.755  339.091   15.954  312.651   16.809 26.43982 23.17466 
1 1 1   17   13   21 o  198.602   12.723  498.560   62.767  493.550   76.914  508.549  108.601  196.955   15.770  198.134   22.339 -1.179001 27.34514 
1 1 1   17   13   22 o  420.616   14.692  2234.06  154.317  2137.83  219.647  2327.85  216.854  408.269   21.621  427.168   20.329 -18.89944 29.67731 
1 1 1   17   13   23 o  235.820   10.510  698.506   61.895  665.435   90.615  727.430   84.744  228.751   15.963  239.655   14.224 -10.90337 21.38094 
1 1 1   17   13   24 o  129.727   10.621  212.838   34.106  190.729   52.876  228.590   44.632  121.257   18.009  133.963   13.527 -12.70669 22.52361 
1 1 1   17   13   25 o  475.186   15.596  2859.43  185.068  2915.15  264.510  2806.00  259.028  476.358   22.236  467.380   22.194 8.977753 31.41649 
1 1 1   17   13   26 o  297.108   11.772  1111.69   87.342  1107.00  127.607  1115.82  119.802  294.498   17.429  296.087   16.265 -1.588989 23.83984 
1 1 1   17   13   27 o  120.487   10.472  183.952   31.195  208.158   50.589  169.100   39.626  126.991   16.331  114.776   14.123 12.21574 21.59108 
1 1 1   17   13   28 o  168.055   10.313  356.755   43.071  316.280   67.080  385.147   56.182  156.473   17.465  174.059   13.020 -17.58623 21.78419 
1 1 1   17   13   29 o  192.332   10.318  467.350   49.376  399.302   76.355  516.256   64.731  175.713   17.639  201.516   12.932 -25.80327 21.87175 
1 1 1   17   13   30 o  100.300   13.782  130.152   33.606  152.552  106.870  127.694   35.402  105.160   34.884   99.082   14.759 6.078514 37.87738 
1 1 1   17   13   31 o  155.755   16.343  314.867   62.618  276.358  123.877  328.084   72.572  136.904   35.821  158.102   18.747 -21.19791 40.43013 
1 1 1   17   13   32 o   88.383   18.861  105.377   40.359  223.469  116.155   89.163   43.041  122.209   35.776   80.795   21.102 41.41399 41.53550 
1 1 1   17   13   33 o  122.949   10.681  193.183   32.467  209.772   47.647  178.803   44.360  126.666   15.379  116.734   15.608 9.931511 21.91181 
1 1 1   17   13   34 o  100.839   11.849  131.454   29.268  152.275   41.406  110.662   41.377  107.258   15.944   90.088   18.991 17.17026 24.79672 
1 1 1   17   13   35 o  103.995   11.495  139.714   29.352  136.277   39.707  143.854   43.582  101.050   16.289  103.391   17.505 -2.341187 23.91136 
1 1 1   17   13   36 o   38.116   13.591   16.415   16.320   9.5650   18.857   36.857   32.576   35.734   14.177   54.792   19.235 -19.05755 23.89499 
1 1 1   17   13   37 o   35.390   13.379   12.179   16.189   16.803   18.457  -3.2403   33.705   39.342   14.396   40.342   17.636 -1.000706 22.76515 
1 1 1   17   13   38 o  126.109   11.910  206.644   37.063  218.454   49.010  190.867   56.646  127.937   15.668  117.126   20.090 10.81143 25.47743 
1 1 1   17   13   39 o  149.205   11.572  289.003   42.780  242.511   56.281  352.623   65.836  133.513   17.286  161.839   16.522 -28.32567 23.91227 
1 1 1   17   14    0 o   74.145   15.630   72.048   28.028   63.197   30.725  115.917   68.405   69.285   17.695   93.622   27.468 -24.33653 32.67446 
1 1 1   17   14    1 o  236.679   11.933  706.126   70.303  700.518   84.153  719.083  127.911  235.228   14.395  236.232   21.933 -1.004684 26.23544 
1 1 1   17   14    2 o  667.048   30.978  5816.41  516.012  5989.74  726.998  5640.42  732.535  660.527   44.332  638.366   46.266 22.16064 64.07733 
1 1 1   17   14    3 o  394.373   16.232  1966.61  159.853  1952.85  194.396  1995.37  280.914  391.257   19.963  390.979   28.978 0.2771301 35.18882 
1 1 1   17   14    4 o  161.813   12.107  331.011   48.566  353.978   56.963  269.878   92.935  167.068   13.776  142.388   27.128 24.68045 30.42520 
1 1 1   17   14    5 o  180.616   12.275  412.069   55.037  445.595   65.270  329.582  102.381  187.530   14.040  157.796   26.950 29.73331 30.38729 
1 1 1   17   14    6 o  443.390   17.474  2489.88  193.478  2473.29  236.012  2523.88  337.848  440.329   21.464  438.832   31.030 1.497345 37.73003 
1 1 1   17   14    7 o  239.648   9.1759  719.907   54.912  729.763   77.453  709.947   77.865  240.475   12.946  237.128   13.202 3.347229 18.48980 
1 1 1   17   14    8 o  303.924   12.769  1162.12   96.911  1082.01  116.794  1339.19  173.636  292.191   16.068  323.302   21.632 -31.11099 26.94689 
1 1 1   17   14    9 o  123.568   9.5987  192.610   29.386  202.835   42.163  182.951   40.979  126.200   13.594  119.712   13.971 6.487869 19.49280 
1 1 1   17   14   10 o  370.381   18.309  1739.85  169.346  1839.19  244.347  1648.04  234.915  376.982   26.117  356.542   26.575 20.43936 37.26043 
1 1 1   17   14   11 o  398.264   19.327  2015.42  192.219  2113.85  276.284  1923.09  267.600  403.420   27.591  384.449   28.068 18.97150 39.35794 
1 1 1   17   14   12 o  277.706   11.560  969.049   80.165  937.717  113.621  1000.11  113.122  271.720   16.828  280.817   16.200 -9.096405 23.35863 
1 1 1   17   14   13 o  441.493   14.421  2458.01  158.995  2527.75  225.254  2388.77  224.455  445.580   20.244  432.942   20.761 12.63837 28.99721 
1 1 1   17   14   14 o  270.491   10.164  918.106   68.652  994.903   97.943  843.929   96.258  280.958   13.960  258.158   14.996 22.79944 20.48793 
1 1 1   17   14   15 o  266.568   10.547  892.050   70.209  920.599  100.066  864.370   98.532  269.674   14.917  261.221   15.170 8.452698 21.27581 
1 1 1   17   14   16 o  120.523   10.712  183.810   31.904  116.288   46.005  246.372   44.283   93.832   20.229  139.323   12.874 -45.49076 23.97821 
1 1 1   17   14   17 o  247.575   10.974  769.883   67.844  750.382   96.726  788.768   95.185  243.095   16.024  249.428   15.356 -6.333084 22.19394 
1 1 1   17   14   18 o  171.458   10.438  370.407   44.480  307.087   64.071  429.316   61.798  154.857   16.840  184.102   13.537 -29.24506 21.60619 
1 1 1   17   14   19 o  477.837   15.360  2884.87  183.281  2987.42  260.423  2784.22  257.992  483.496   21.569  466.472   22.148 17.02396 30.91534 
1 1 1   17   14   20 o  420.749   18.863  2250.60  198.193   0.0000   0.0000  2250.60  198.193  ?   ?   420.749   18.863 0.000000 18.86313 
1 1 1   17   14   21 o  256.392   13.130  830.252   83.787  782.686  104.919  913.988  139.207  247.944   17.049  266.722   21.072 -18.77840 27.10516 
1 1 1   17   14   22 o  226.089   10.183  641.747   57.493  685.357   84.182  603.623   78.709  232.538   14.570  218.186   14.529 14.35214 20.57639 
1 1 1   17   14   23 o  217.213   10.054  592.355   54.536  628.652   80.690  561.831   73.995  222.635   14.594  210.517   14.158 12.11755 20.33320 
1 1 1   17   14   24 o  340.911   12.494  1463.86  106.366  1478.36  153.236  1450.38  147.762  340.525   18.085  337.463   17.595 3.061432 25.23215 
1 1 1   17   14   25 o  198.220   10.366  495.006   51.134  500.546   76.784  490.591   68.543  198.212   15.640  196.599   14.054 1.613602 21.02672 
1 1 1   17   14   26 o  245.060   10.372  754.869   63.471  869.669   95.063  662.533   85.257  261.789   14.600  228.271   15.041 33.51732 20.96130 
1 1 1   17   14   27 o  343.166   12.643  1486.27  108.348  1483.96  157.321  1488.36  149.437  340.325   18.582  341.279   17.595 -0.9547424 25.59011 
1 1 1   17   14   28 o   53.105   14.766   36.843   20.290   65.341   35.525   23.044   24.719   70.281   19.536   46.291   16.702 23.98945 25.70250 
1 1 1   17   14   29 o   79.877   12.122   82.406   23.421  103.069   39.764   71.430   28.982   88.005   18.672   73.445   16.234 14.56020 24.74251 
1 1 1   17   14   30 o   89.125   11.684  102.113   25.378   43.425   41.207  137.975   32.211   61.084   21.615  103.585   12.720 -42.50076 25.08027 
1 1 1   17   14   31 o  182.827   10.074  423.174   45.816  370.614   70.340  461.906   60.382  168.929   16.901  190.255   12.783 -21.32620 21.19113 
1 1 1   17   14   32 o  180.521   10.156  413.318   45.596  418.899   69.393  409.078   60.486  179.869   15.604  178.471   13.676 1.397903 20.74868 
1 1 1   17   14   33 o  199.792   10.405  507.269   51.731  472.918   77.237  535.214   69.664  190.435   16.402  203.923   13.761 -13.48796 21.40965 
1 1 1   17   14   34 o   70.643   19.829   68.156   36.411  143.952  123.023   60.879   38.119  100.190   37.081   67.247   20.684 32.94249 42.45949 
1 1 1   17   14   35 o   71.428   20.187   70.216   37.603   81.322  127.448   69.158   39.354   87.314   36.042   70.940   20.840 16.37390 41.63385 
1 1 1   17   14   36 o  104.632   11.866  141.921   30.456  157.738   41.316  123.099   45.069  108.993   15.627   94.420   19.750 14.57311 25.18441 
1 1 1   17   14   37 o  103.745   11.679  139.682   29.731  141.022   39.271  137.884   45.508  102.692   15.822  100.189   18.882 2.502419 24.63436 
1 1 1   17   14   38 o   84.899   12.997   95.266   26.677  100.540   33.835   86.602   43.370   85.992   16.354   77.976   21.553 8.015152 27.05563 
1 1 1   17   14   39 o  115.012   20.085  185.376   55.586   0.0000   0.0000  185.376   55.586  ?   ?   115.012   20.085 0.000000 20.08497 
1 1 1   17   14   40 o   97.714   43.415  169.105  212.155   0.0000   0.0000  169.105  212.155  ?   ?    97.714   43.415 0.000000 43.41494 
1 1 1   17   15    0 o  201.582   10.272  511.536   51.539  421.620   59.175  794.035  104.888  182.472   13.073  249.727   16.919 -67.25520 21.38147 
1 1 1   17   15    1 o  228.386   12.394  658.397   70.419  679.399   83.963  608.588  129.303  231.532   14.597  216.195   24.376 15.33757 28.41220 
1 1 1   17   15    2 o  305.355   17.238  1185.62  130.909  1248.94  179.685  1113.99  191.108  311.149   23.295  292.400   26.460 18.74954 35.25257 
1 1 1   17   15    3 o  260.581   16.062  862.055  104.010  921.284  140.917  791.171  154.160  267.799   21.246  246.541   25.404 21.25826 33.11728 
1 1 1   17   15    4 o  205.020   11.041  529.536   56.321  472.752   65.946  682.588  108.267  193.194   13.759  231.014   18.934 -37.81995 23.40530 
1 1 1   17   15    5 o  223.678   12.204  631.142   67.912  645.984   81.038  596.132  124.463  225.844   14.445  214.362   23.644 11.48203 27.70757 
1 1 1   17   15    6 o  150.746   11.726  287.345   43.795  271.086   50.612  335.796   87.371  145.984   14.057  160.596   22.396 -14.61121 26.44191 
1 1 1   17   15    7 o  334.829   14.334  1413.89  119.851  1389.99  145.132  1465.13  212.517  330.694   17.638  336.372   25.490 -5.677765 30.99723 
1 1 1   17   15    8 o  362.859   13.924  1659.54  126.172  1512.90  152.563  1976.87  224.434  345.007   17.768  392.243   23.014 -47.23633 29.07489 
1 1 1   17   15    9 o   80.786   11.523   83.636   22.588   88.429   32.717   79.271   31.224   82.190   16.514   77.719   16.593 4.470421 23.40991 
1 1 1   17   15   10 o  277.995   15.409  978.994  106.551  1054.56  157.121  914.653  144.982  286.420   22.139  266.695   21.965 19.72537 31.18669 
1 1 1   17   15   11 o  337.912   16.030  1443.63  135.268  1752.69  198.311  1174.74  184.978  369.892   21.563  301.301   24.805 68.59100 32.86748 
1 1 1   17   15   12 o  408.405   13.665  2101.70  139.359  2050.76  197.048  2152.67  197.120  401.480   19.654  411.517   19.182 -10.03702 27.46342 
1 1 1   17   15   13 o  212.719   9.8561  567.692   52.356  626.303   74.608  510.826   73.489  222.570   13.487  200.663   14.770 21.90721 20.00109 
1 1 1   17   15   14 o  150.395   9.8210  284.960   36.682  295.299   52.640  275.199   51.144  152.426   13.985  147.082   14.097 5.344147 19.85766 
1 1 1   17   15   15 o   74.418   12.101   71.410   21.716   71.975   32.585   70.959   29.128   73.886   17.858   73.492   16.298 0.3939972 24.17755 
1 1 1   17   15   16 o   85.893   11.019   94.170   23.090  113.884   34.583   78.312   31.017   93.784   15.294   77.226   16.579 16.55830 22.55595 
1 1 1   17   15   17 o  197.229   10.391  489.685   50.998  480.772   72.955  498.203   71.318  194.533   15.137  198.184   14.511 -3.650726 20.96932 
1 1 1   17   15   18 o  100.796   10.879  129.077   26.948  140.605   40.165  119.640   36.342  104.299   15.926   96.090   15.687 8.209290 22.35433 
1 1 1   17   15   19 o  194.546   14.665  480.402   70.721   0.0000   0.0000  480.402   70.721  ?   ?   194.546   14.665 0.000000 14.66490 
1 1 1   17   15   20 o  485.306   18.667  2993.97  226.221  2965.64  276.446  3051.39  393.593  480.780   23.026  479.980   33.039 0.7997437 40.27104 
1 1 1   17   15   21 o  175.434   10.086  387.602   44.000  384.594   64.366  390.240   60.285  173.860   14.972  175.368   13.879 -1.508408 20.41535 
1 1 1   17   15   22 o  421.313   14.027  2239.79  147.577  2328.86  210.593  2153.84  206.866  427.422   19.730  410.861   20.162 16.56122 28.21020 
1 1 1   17   15   23 o  317.172   11.716  1265.58   92.795  1343.38  133.884  1193.66  128.732  325.161   16.543  306.345   16.893 18.81653 23.64413 
1 1 1   17   15   24 o  572.606   18.022  4169.51  257.703  4261.55  366.404  4079.40  362.521  573.637   25.578  561.007   25.877 12.62964 36.38504 
1 1 1   17   15   25 o  374.302   13.361  1767.85  124.886  1777.19  179.454  1759.08  173.907  372.684   19.349  371.012   18.832 1.672638 27.00082 
1 1 1   17   15   26 o   78.426   12.754   79.518   24.119   77.325   40.527   80.721   30.013   76.395   20.720   78.424   15.870 -2.028885 26.09921 
1 1 1   17   15   27 o  256.494   11.245  828.509   72.027  789.825  106.148  861.518   98.056  248.457   17.215  260.229   15.155 -11.77200 22.93496 
1 1 1   17   15   28 o  310.649   12.079  1218.12   93.701  1153.91  136.604  1275.17  128.770  299.724   18.339  316.013   16.374 -16.28973 24.58530 
1 1 1   17   15   29 o  248.785   10.814  780.421   67.181  776.974  100.689  783.187   90.191  246.141   16.476  247.812   14.639 -1.671753 22.04045 
1 1 1   17   15   30 o  118.849   10.217  179.388   30.027  211.333   49.277  160.520   37.871  127.696   15.790  111.553   13.896 16.14259 21.03366 
1 1 1   17   15   31 o  217.528   10.692  598.090   58.080  598.130   88.062  598.060   77.267  215.155   16.516  216.008   14.407 -0.8526764 21.91685 
1 1 1   17   15   32 o  189.274   10.453  454.605   49.217  438.807   74.735  466.704   65.401  183.786   16.458  190.651   13.831 -6.864899 21.49825 
1 1 1   17   15   33 o  136.356   10.323  236.864   34.889  243.404   53.148  231.911   46.250  136.427   15.899  133.791   14.053 2.636230 21.21914 
1 1 1   17   15   34 o  131.861   10.305  221.945   33.663  233.945   49.680  211.759   45.772  133.764   15.139  127.371   14.658 6.392967 21.07270 
1 1 1   17   15   35 o  124.095   10.823  197.510   33.204  217.751   47.870  178.742   46.095  128.771   15.178  116.049   16.360 12.72215 22.31633 
1 1 1   17   15   36 o  194.479   11.175  484.588   54.043  503.711   77.843  466.795   75.087  195.683   16.072  188.302   16.124 7.380539 22.76600 
1 1 1   17   15   37 o   84.427   19.909   99.422   41.292  160.949  146.794   94.136   43.029  101.659   39.797   81.797   20.968 19.86182 44.98282 
1 1 1   17   15   38 o   80.713   20.497   92.015   41.390   86.511  153.211   92.448   42.988   88.685   38.189   80.713   21.094 7.971848 43.62762 
1 1 1   17   15   39 f  119.075   19.988  197.893   57.330   0.0000   0.0000  197.893   57.330  ?   ?   119.075   19.988 0.000000 19.98834 
1 1 1   17   16    0 o   88.783   14.164  101.923   30.348  100.635   33.441  107.937   72.259   87.868   15.822   91.001   28.559 -3.133041 32.64933 
1 1 1   17   16    1 o  167.781   11.873  355.961   49.423  349.125   57.188  376.131   98.236  165.758   13.945  169.405   23.885 -3.647171 27.65765 
1 1 1   17   16    2 o   94.574   13.616  115.045   31.230  112.302   34.560  127.258   72.927   93.052   15.412   97.672   28.277 -4.620102 32.20478 
1 1 1   17   16    3 o  217.538   14.887  600.576   80.388  612.160  106.174  585.015  123.055  218.336   19.685  212.115   23.633 6.220612 30.75769 
1 1 1   17   16    4 o  244.778   12.431  756.109   75.734  767.454   90.474  729.550  138.434  246.075   14.792  237.157   23.692 8.917389 27.93072 
1 1 1   17   16    5 o  272.806   13.132  937.604   89.462  934.639  107.424  944.315  161.609  271.358   15.923  269.917   24.235 1.441040 28.99735 
1 1 1   17   16    6 o  120.927   12.867  186.173   38.259  203.516   43.468  126.539   80.602  126.277   14.021   98.022   30.065 28.25567 33.17416 
1 1 1   17   16    7 o  166.355   11.142  349.266   46.020  315.001   53.192  451.261   91.771  157.508   13.659  187.218   19.936 -29.71005 24.16642 
1 1 1   17   16    8 o  205.937   11.764  534.969   60.247  525.909   71.179  557.856  113.131  203.733   14.077  207.701   22.154 -3.968246 26.24777 
1 1 1   17   16    9 o  199.862   12.544  504.669   62.288  550.664   74.232  395.232  114.504  208.439   14.349  172.751   27.462 35.68774 30.98456 
1 1 1   17   16   10 o  280.360   23.737  1016.01  164.625  1016.01  164.625   0.0000   0.0000  280.360   23.737  ?   ?  0.000000 23.73701 
1 1 1   17   16   11 o  207.495   14.944  546.376   76.914  443.516  115.960  627.175  102.775  183.721   26.001  221.400   18.766 -37.67882 32.06604 
1 1 1   17   16   12 o  455.426   15.263  2620.42  173.584  2578.91  245.309  2662.04  245.661  449.042   21.876  456.381   21.555 -7.338196 30.71179 
1 1 1   17   16   13 o  330.384   12.485  1373.71  103.008  1334.27  145.697  1413.13  145.654  323.727   18.095  333.368   17.558 -9.641907 25.21371 
1 1 1   17   16   14 o  206.737   10.050  536.409   51.885  552.285   73.927  520.997   72.840  208.759   14.266  202.685   14.487 6.074051 20.33203 
1 1 1   17   16   15 o  125.595   9.8203  199.121   30.555  187.548   44.067  209.835   42.403  120.991   14.900  128.364   13.427 -7.372887 20.05725 
1 1 1   17   16   16 o  149.805   10.310  283.050   38.333  248.781   54.891  315.672   53.556  139.345   16.069  157.657   13.741 -18.31163 21.14276 
1 1 1   17   16   17 o  118.735   10.431  178.359   30.615  160.423   44.733  194.162   41.989  111.396   16.587  123.334   13.874 -11.93789 21.62447 
1 1 1   17   16   18 o  401.913   13.887  2037.13  139.380  2083.07  197.945  1991.95  196.292  404.434   19.600  394.871   19.971 9.562592 27.98217 
1 1 1   17   16   19 o  124.534   10.046  195.911   30.975  205.704   45.782  187.643   42.065  126.811   14.732  121.155   14.172 5.656372 20.44144 
1 1 1   17   16   20 o  436.555   14.512  2406.13  158.207  2513.96  224.734  2300.18  222.756  443.905   20.273  424.270   21.025 19.63531 29.20728 
1 1 1   17   16   21 o  259.561   11.073  846.749   71.773  858.453  103.029  835.713  100.042  259.967   15.947  256.558   15.691 3.409088 22.37219 
1 1 1   17   16   22 o  591.298   17.692  4440.47  261.240  4635.84  370.813  4247.94  368.100  599.323   24.777  572.972   25.727 26.35059 35.71749 
1 1 1   17   16   23 f  332.291   12.643  1391.04  104.911  1381.38  150.247  1400.24  146.556  329.033   18.359  331.503   17.768 -2.470032 25.54943 
1 1 1   17   16   24 o  389.321   13.769  1913.26  133.862  1871.93  191.179  1953.01  187.494  382.266   20.098  391.351   19.185 -9.084198 27.78494 
1 1 1   17   16   25 o  249.889   11.131  785.512   69.458  751.325  101.455  815.672   95.292  242.679   16.846  253.414   15.127 -10.73494 22.64092 
1 1 1   17   16   26 o  270.660   10.893  921.631   73.626  949.488  108.224  897.631  100.455  273.107   15.938  265.752   15.200 7.354828 22.02420 
1 1 1   17   16   27 o  224.163   10.314  632.018   57.735  684.260   86.764  590.503   77.344  231.821   15.070  215.456   14.459 16.36497 20.88448 
1 1 1   17   16   28 o  272.243   11.201  934.231   76.151  943.846  112.680  926.147  103.315  271.600   16.695  269.512   15.415 2.088196 22.72287 
1 1 1   17   16   29 o  247.479   10.415  771.769   64.366  788.657   96.800  758.384   86.178  248.271   15.694  243.974   14.206 4.296967 21.16909 
1 1 1   17   16   30 o  265.456   11.427  890.842   75.749  857.134  112.201  919.073  102.681  257.697   17.540  267.866   15.415 -10.16949 23.35135 
1 1 1   17   16   31 o  168.044   10.517  358.143   43.912  316.257   67.970  388.149   57.529  155.600   17.814  174.171   13.328 -18.57133 22.24793 
1 1 1   17   16   32 o  169.075   10.134  362.653   42.588  388.939   66.198  344.092   55.628  173.354   15.454  163.591   13.744 9.763016 20.68173 
1 1 1   17   16   33 o   96.998   10.701  120.709   25.489  131.598   38.878  112.499   33.757   99.742   16.162   92.372   15.161 7.370033 22.15973 
1 1 1   17   16   34 o  108.781   10.401  151.515   27.911  128.503   40.958  171.464   38.136   97.917   17.388  114.840   13.560 -16.92237 22.04988 
1 1 1   17   16   35 o   49.214   13.925   32.093   17.882   31.286   23.255   33.261   27.971   49.655   16.263   51.977   17.847 -2.322018 24.14556 
1 1 1   17   16   36 o   94.863   12.018  117.005   27.832  134.533   37.810   96.277   41.118  100.577   15.556   83.270   20.020 17.30672 25.35383 
1 1 1   17   16   37 o  111.218   10.928  159.492   29.958  143.450   40.039  179.895   45.154  103.574   15.996  116.216   15.982 -12.64252 22.61140 
1 1 1   17   16   38 o   49.852   19.024   25.745   32.929   0.0000   0.0000   25.745   32.929  ?   ?    49.852   19.024 0.000000 19.02426 
1 1 1   17   16   39 o   63.430   30.873 -164.7269  156.550   0.0000   0.0000 -164.7269  156.550  ?   ?    63.430   30.873 0.000000 30.87319 
1 1 1   17   17    0 o  113.543   13.405  164.874   37.274  168.061   41.726  152.282   82.938  114.320   14.976  106.069   29.981 8.251129 33.51344 
1 1 1   17   17    1 o  142.559   13.131  258.413   46.221  289.842   53.170  161.197   93.512  150.810   14.289  109.151   32.142 41.65874 35.17457 
1 1 1   17   17    2 o  305.844   12.796  1178.93   97.731  1093.98  116.730  1378.08  178.722  293.435   15.990  327.019   22.013 -33.58337 27.20821 
1 1 1   17   17    3 f  228.192   12.760  658.137   72.418  677.693   86.066  610.722  134.013  231.040   14.999  215.968   25.330 15.07170 29.43745 
1 1 1   17   17    4 o  319.581   15.726  1292.79  125.506  1022.93  169.200  1622.89  187.136  280.664   24.384  355.526   21.174 -74.86230 32.29416 
1 1 1   17   17    5 o  244.614   12.730  755.746   77.492  753.038   92.362  762.185  142.411  243.568   15.262  242.252   23.850 1.315704 28.31571 
1 1 1   17   17    6 o  204.652   11.630  528.446   59.192  512.728   69.618  569.453  112.448  201.115   13.948  209.833   21.777 -8.717590 25.86099 
1 1 1   17   17    7 o  134.613   12.552  230.098   41.708  251.978   47.968  162.302   84.438  140.680   13.833  109.572   29.987 31.10851 33.02372 
1 1 1   17   17    8 o  241.466   13.047  736.707   78.378  806.175   93.905  577.177  142.303  252.163   14.980  209.071   27.957 43.09193 31.71711 
1 1 1   17   17    9 o  439.442   17.154  2448.86  188.241  2383.85  228.870  2584.79  330.947  431.808   21.225  443.592   30.053 -11.78461 36.79278 
1 1 1   17   17   10 o  225.328   12.503  641.106   70.077  662.950   83.283  588.143  129.681  228.674   14.662  212.262   24.941 16.41171 28.93113 
1 1 1   17   17   11 o  247.930   22.762  794.517  139.354  794.517  139.354   0.0000   0.0000  247.930   22.762  ?   ?  0.000000 22.76224 
1 1 1   17   17   12 o   72.179   17.069   68.652   30.283   91.573   33.878 -22.4656   67.546   83.576   16.815   54.905   24.440 28.67026 29.66612 
1 1 1   17   17   13 o  229.760   11.680  665.546   66.793  625.320   79.399  762.927  123.538  222.129   14.391  243.701   20.490 -21.57214 25.03900 
1 1 1   17   17   14 f  144.832   9.3638  264.205   33.685  284.158   48.327  245.351   46.977  149.631   13.065  138.832   13.730 10.79861 18.95266 
1 1 1   17   17   15 o  126.685   10.300  202.820   32.302  201.510   46.558  204.036   44.853  125.398   15.177  126.337   14.479 -0.9395905 20.97545 
1 1 1   17   17   16 o  374.940   13.677  1772.67  128.060  1785.52  181.563  1759.95  180.648  373.924   19.512  371.211   19.557 2.713257 27.62577 
1 1 1   17   17   17 o  120.961   10.211  184.986   30.556  160.549   44.490  206.805   42.039  111.445   16.484  127.406   13.415 -15.96070 21.25254 
1 1 1   17   17   18 o  339.718   19.132  1473.45  161.645   0.0000   0.0000  1473.45  161.645  ?   ?   339.718   19.132 0.000000 19.13214 
1 1 1   17   17   19 o  208.697   14.452  552.448   74.855  552.448   74.855   0.0000   0.0000  208.697   14.452  ?   ?  0.000000 14.45229 
1 1 1   17   17   20 o  294.822   11.606  1093.21   85.449  1192.14  121.989  997.909  119.728  306.475   15.995  279.961   17.209 26.51392 23.49446 
1 1 1   17   17   21 o  234.858   10.904  693.209   63.947  662.812   91.760  721.912   89.166  228.207   16.207  238.516   15.048 -10.30867 22.11567 
1 1 1   17   17   22 o  426.531   13.917  2296.25  148.239  2372.18  210.937  2222.16  208.369  431.257   19.587  417.211   20.000 14.04675 27.99362 
1 1 1   17   17   23 o  102.005   16.535  135.161   40.677  124.093   49.983  156.871   70.000   96.645   21.286  107.909   26.232 -11.26466 33.78198 
1 1 1   17   17   24 o  339.057   17.998  1466.74  151.845  1507.17  211.886  1424.05  217.717  340.322   25.110  329.917   26.654 10.40475 36.61857 
1 1 1   17   17   25 f  121.757   15.233  190.539   45.303  186.635   58.871  196.208   70.941  119.158   20.526  121.196   24.286 -2.038025 31.79803 
1 1 1   17   17   26 o  273.989   15.858  955.768  108.039  962.886  150.269  948.153  155.442  272.487   22.279  269.921   23.289 2.566406 32.22917 
1 1 1   17   17   27 o  210.975   14.289  566.233   74.836  596.413  104.131  533.995  107.623  214.832   19.627  202.454   21.622 12.37747 29.20166 
1 1 1   17   17   28 o  157.550   13.611  316.611   53.023  352.810   73.803  277.993   76.228  165.064   18.208  145.171   21.693 19.89369 28.32127 
1 1 1   17   17   29 o  254.187   15.061  825.280   95.172  890.571  134.275  759.365  134.915  261.516   20.731  240.354   22.749 21.16135 30.77778 
1 1 1   17   17   30 o  505.212   24.170  3367.67  304.927  3168.59  430.581  3567.96  431.886  472.813   36.757  505.498   34.419 -32.68500 50.35602 
1 1 1   17   17   31 f  243.038   14.575  757.130   88.050  685.307  123.357  831.731  125.720  227.454   21.992  251.865   20.158 -24.41100 29.83283 
1 1 1   17   17   32 o   74.635   16.057   74.327   29.039   83.217   37.924   61.727   45.148   78.340   19.470   68.992   22.663 9.348892 29.87830 
1 1 1   17   17   33 o  269.352   15.129  937.333  101.348  857.588  140.149  1024.75  146.734  252.582   22.454  277.150   21.366 -24.56728 30.99497 
1 1 1   17   17   34 o   35.203   13.134   12.311   15.495   14.621   21.052   9.5799   22.889   39.755   15.202   38.470   15.498 1.285347 21.70910 
1 1 1   17   17   35 o  140.356   10.522  251.914   36.610  226.208   53.705  274.228   50.037  130.564   16.866  145.210   13.971 -14.64539 21.90119 
1 1 1   17   17   36 o  145.553   10.507  271.177   37.935  242.386   54.333  298.560   52.989  135.187   16.433  151.279   14.193 -16.09224 21.71307 
1 1 1   17   17   37 o   90.331   12.091  106.495   26.590  115.233   35.302   95.037   40.424   92.698   15.818   82.579   19.848 10.11818 25.38047 
1 1 1   17   17   38 o  115.228   18.064  180.690   50.269   0.0000   0.0000  180.690   50.269  ?   ?   115.228   18.064 0.000000 18.06380 
1 1 1   17   18    0 o  124.423   13.942  198.012   42.574  226.541   48.118   95.152   91.366  133.012   14.734   89.752   32.140 43.25916 35.35672 
1 1 1   17   18    1 o  217.996   12.496  600.999   67.741  604.963   79.495  590.489  129.450  218.195   14.675  212.154   24.908 6.040283 28.90969 
1 1 1   17   18    2 o  292.569   12.709  1079.24   92.855  1043.04  110.636  1165.53  170.784  286.536   15.520  299.961   22.974 -13.42468 27.72531 
1 1 1   17   18    3 o  219.025   12.196  606.114   66.443  599.159   78.206  624.159  125.971  217.234   14.500  218.910   23.407 -1.676682 27.53385 
1 1 1   17   18    4 o  180.868   13.483  415.025   60.461  319.815   74.857  593.702  102.547  157.183   19.489  214.908   19.314 -57.72530 27.43848 
1 1 1   17   18    5 o  155.098   15.106  307.080   57.765  359.834   72.714  216.833   95.106  167.378   17.664  126.040   30.538 41.33769 35.27835 
1 1 1   17   18    6 o  104.021   13.471  138.704   34.171  153.984   38.288   78.900   75.746  109.510   14.346   82.365   29.289 27.14510 32.61359 
1 1 1   17   18    7 o  152.072   12.371  293.120   46.572  299.930   53.823  272.828   92.905  153.482   14.204  142.791   27.045 10.69092 30.54805 
1 1 1   17   18    8 o  499.706   19.263  3182.66  240.377  3156.19  292.825  3237.34  420.910  495.048   23.687  492.104   34.469 2.944916 41.82352 
1 1 1   17   18    9 o  219.244   12.007  606.747   65.490  581.737   77.040  671.904  124.349  214.130   14.493  227.911   22.128 -13.78151 26.45133 
1 1 1   17   18   10 o  196.947   11.830  489.767   57.910  455.291   67.592  584.914  112.288  189.345   14.403  212.765   21.426 -23.41992 25.81677 
1 1 1   17   18   11 o  227.378   22.382  669.137  125.440  669.137  125.440   0.0000   0.0000  227.378   22.382  ?   ?  0.000000 22.38211 
1 1 1   17   18   12 o  355.866   27.159  1653.49  239.528  1653.49  239.528   0.0000   0.0000  355.866   27.159  ?   ?  0.000000 27.15884 
1 1 1   17   18   13 o  519.627   19.799  3443.68  256.909  3371.62  313.186  3591.91  449.203  511.297   24.529  518.408   34.902 -7.111298 42.65963 
1 1 1   17   18   14 o  205.430   11.170  532.055   57.086  466.134   66.735  711.875  110.219  191.690   14.039  235.780   18.878 -44.08981 23.52604 
1 1 1   17   18   15 o  162.747   12.093  335.140   48.796  350.113   57.200  295.119   93.515  166.011   13.927  149.056   26.073 16.95526 29.55945 
1 1 1   17   18   16 o  443.499   13.926  2481.85  154.229  2625.69  218.554  2339.17  217.674  453.997   19.278  428.018   20.365 25.97906 28.04251 
1 1 1   17   18   17 o   62.933   13.479   51.819   20.544   26.978   31.983   69.267   26.805   51.430   18.930   72.695   15.252 -21.26553 24.30991 
1 1 1   17   18   18 o  220.798   13.065  616.497   71.718  718.966   86.630  393.292  127.857  238.133   14.639  170.715   31.139 67.41733 34.40843 
1 1 1   17   18   19 o  313.392   11.297  1234.95   88.412  1356.38  126.104  1117.56  123.988  327.451   15.422  296.412   16.820 31.03839 22.81979 
1 1 1   17   18   20 o  186.854   9.5048  439.255   44.204  466.160   64.048  414.781   61.085  191.798   13.458  180.831   13.627 10.96687 19.15250 
1 1 1   17   18   21 o  161.199   9.2441  327.073   37.056  418.197   54.880  250.713   50.238  181.857   12.155  140.135   14.569 41.72205 18.97341 
1 1 1   17   18   22 o  176.884   14.260  397.705   62.454  374.099   81.242  431.810   97.650  170.211   19.464  182.270   21.892 -12.05824 29.29320 
1 1 1   17   18   23 o  206.274   14.921  540.923   76.340  572.923  101.913  500.013  115.231  211.000   19.564  195.473   24.118 15.52710 31.05546 
1 1 1   17   18   24 o  180.871   14.550  416.285   65.160  417.827   86.034  414.209   99.789  179.895   19.462  177.972   22.991 1.922775 30.12198 
1 1 1   17   18   25 o  264.106   15.264  886.631  100.243  792.523  137.405  993.708  146.567  247.063   22.519  277.380   21.323 -30.31737 31.01223 
1 1 1   17   18   26 o  190.276   10.550  456.817   49.933  398.511   73.969  505.630   67.681  176.166   17.027  199.532   13.665 -23.36621 21.83230 
1 1 1   17   18   27 f  302.457   11.680  1153.56   88.218  1176.10  128.382  1133.39  121.428  303.282   17.020  297.964   16.382 5.317688 23.62348 
1 1 1   17   18   28 o  537.174   16.977  3686.01  227.732  3919.55  325.429  3461.89  318.797  548.017   23.780  514.021   24.836 33.99634 34.38487 
1 1 1   17   18   29 o  147.358   10.153  274.871   37.132  294.300   59.076  262.182   47.743  151.061   15.899  143.143   13.516 7.917175 20.86800 
1 1 1   17   18   30 o  371.057   12.993  1747.94  120.390  1845.25  175.667  1661.76  165.319  377.980   18.611  358.317   18.539 19.66278 26.26933 
1 1 1   17   18   31 o  101.740   10.677  132.260   26.723  108.943   44.881  145.065   33.261   89.675   20.490  106.096   12.814 -16.42095 24.16697 
1 1 1   17   18   32 o  182.399   10.327  422.238   46.843  388.208   80.444  439.697   57.620  171.538   19.104  185.448   12.516 -13.91071 22.83854 
1 1 1   17   18   33 o  177.318   10.082  399.426   44.459  398.701   68.932  399.942   58.177  174.939   15.955  176.322   13.311 -1.382660 20.77809 
1 1 1   17   18   34 o   59.255   13.334   46.753   19.253   64.835   28.464   31.504   26.140   69.253   16.662   50.650   17.255 18.60223 23.98664 
1 1 1   17   18   35 o  166.536   12.413  357.203   51.253  333.751   62.761  404.156   88.804  159.358   15.987  172.521   21.049 -13.16344 26.43200 
1 1 1   17   18   36 o   70.819   15.470   67.682   26.593   61.924   28.443  107.680   74.966   67.399   16.924   86.640   29.223 -19.24139 33.76960 
1 1 1   17   18   37 o   69.037   15.805   64.718   26.660   58.824   27.901  126.576   90.393   65.590   16.922   92.146   32.058 -26.55536 36.25060 
1 1 1   17   18   38 o   78.381   33.274   55.645  113.338   0.0000   0.0000   55.645  113.338  ?   ?    78.381   33.274 0.000000 33.27422 
1 1 1   17   19    0 o  120.137   12.712  184.109   37.557  182.380   41.432  192.080   88.940  119.256   14.191  118.314   30.047 0.9419937 33.22923 
1 1 1   17   19    1 o  111.687   13.540  159.829   36.991  170.927   40.887  109.768   86.836  115.342   14.517   93.002   31.451 22.33999 34.63970 
1 1 1   17   19    2 o  181.660   13.149  418.705   59.248  476.889   69.072  256.690  115.260  193.640   14.387  135.891   34.038 57.74944 36.95384 
1 1 1   17   19    3 o  104.234   13.482  139.407   34.269  116.635   37.477  255.625   84.663   94.544   16.472  138.348   25.443 -43.80424 30.31010 
1 1 1   17   19    4 o  340.606   15.249  1469.40  129.702  1546.37  156.669  1301.73  231.234  347.967   18.092  313.118   29.938 34.84930 34.97994 
1 1 1   17   19    5 o  392.281   19.736  1971.66  192.714  1925.20  266.067  2022.93  279.506  382.715   28.035  391.840   28.766 -9.124878 40.16751 
1 1 1   17   19    6 o  241.447   12.818  737.093   77.007  738.133   91.379  734.546  143.042  240.992   15.263  237.174   24.505 3.818344 28.86954 
1 1 1   17   19    7 o  152.637   11.900  295.079   44.999  285.532   51.297  326.953   93.730  149.749   13.875  157.315   24.671 -7.565857 28.30488 
1 1 1   17   19    8 o  421.401   17.241  2256.03  181.434  2354.83  220.603  2049.51  318.953  428.958   20.594  391.736   32.910 37.22208 38.82235 
1 1 1   17   19    9 o  173.061   12.145  378.970   52.153  377.972   60.490  381.860  102.945  172.419   14.174  170.217   24.960 2.201965 28.70411 
1 1 1   17   19   10 o  107.418   13.881  148.007   36.364  151.771   40.655  132.947   81.320  108.465   15.446   99.867   30.109 8.598038 33.84003 
1 1 1   17   19   11 o  505.598   19.815  3263.71  250.184  3326.41  304.724  3134.04  438.225  507.804   24.030  481.638   36.712 26.16623 43.87754 
1 1 1   17   19   12 o  375.991   28.201  1854.11  262.858  1854.11  262.858   0.0000   0.0000  375.991   28.201  ?   ?  0.000000 28.20119 
1 1 1   17   19   13 o  364.895   15.504  1685.20  141.276  1700.49  171.015  1652.34  250.702  364.926   18.830  354.670   28.548 10.25574 34.19909 
1 1 1   17   19   14 o  104.766   13.933  140.900   35.548  154.466   39.772   87.022   79.263  109.568   14.924   85.476   30.004 24.09205 33.51072 
1 1 1   17   19   15 o  291.537   13.301  1071.82   96.834  1037.82  116.370  1148.36  174.600  285.701   16.379  297.743   23.678 -12.04263 28.79154 
1 1 1   17   19   16 o  246.298   12.824  766.466   78.604  761.905   93.903  777.143  143.675  244.919   15.432  244.550   23.830 0.3684387 28.39024 
1 1 1   17   19   17 o  382.302   16.057  1851.47  153.295  1946.70  186.766  1654.86  268.354  390.833   19.136  353.649   30.691 37.18417 36.16827 
1 1 1   17   19   18 o  321.998   16.837  1318.79  134.918  1318.79  134.918   0.0000   0.0000  321.998   16.837  ?   ?  0.000000 16.83747 
1 1 1   17   19   19 o  288.215   11.850  1045.50   85.287  1067.19  121.323  1024.31  119.917  289.548   16.852  283.603   17.011 5.945160 23.94505 
1 1 1   17   19   20 o  185.373   9.8768  432.676   45.556  459.101   65.830  408.391   63.108  190.193   13.958  179.269   14.214 10.92398 19.92105 
1 1 1   17   19   21 o  361.270   19.216  1669.21  172.736  1797.09  239.898  1531.53  248.922  371.279   26.040  340.540   29.565 30.73929 39.39715 
1 1 1   17   19   22 o  175.034   14.833  390.197   64.225  404.580   82.754  368.413  101.843  177.166   19.002  166.996   25.206 10.16945 31.56614 
1 1 1   17   19   23 o  107.483   16.802  150.038   43.622  194.468   53.809   64.855   74.506  122.329   18.166   77.886   28.851 44.44350 34.09359 
1 1 1   17   19   24 o  424.151   14.444  2275.78  152.986  2288.35  217.648  2263.51  215.086  422.480   20.630  420.252   20.495 2.227905 29.07998 
1 1 1   17   19   25 o  365.345   12.283  1683.17  112.062  1854.15  160.845  1521.89  156.217  381.788   16.871  344.926   18.201 36.86188 24.81716 
1 1 1   17   19   26 o  162.983   10.024  335.240   40.602  342.077   61.780  330.042   53.868  163.502   15.309  161.008   13.523 2.494354 20.42681 
1 1 1   17   19   27 o  101.629   11.210  131.718   27.976  146.357   45.206  122.631   35.615  105.676   17.760   97.164   15.174 8.511414 23.36002 
1 1 1   17   19   28 o  606.331   19.189  4730.94  290.549  4810.82  413.254  4652.86  408.583  602.090   27.486  591.923   27.642 10.16632 38.98102 
1 1 1   17   19   29 o  152.154   10.147  293.060   38.334  281.705   60.210  300.800   49.712  147.473   16.641  153.472   13.096 -5.999268 21.17609 
1 1 1   17   19   30 o  124.664   9.8704  197.169   30.476  168.475   49.873  214.270   38.501  112.941   18.310  129.506   12.043 -16.56555 21.91570 
1 1 1   17   19   31 o   77.936   11.195   78.427   21.162   88.945   36.818   73.238   25.860   81.293   18.547   74.513   14.419 6.779671 23.49218 
1 1 1   17   19   32 o  131.106   9.3637  218.099   30.454  230.242   49.562  210.733   38.602  133.052   15.189  128.144   12.211 4.907410 19.48868 
1 1 1   17   19   33 o   93.213   10.556  111.558   24.138  120.344   39.122  106.158   30.673   94.904   17.138   89.938   14.123 4.966370 22.20748 
1 1 1   17   19   34 o  106.071   9.9004  143.844   25.921  137.423   40.366  148.350   33.814  101.614   16.472  106.877   12.933 -5.262955 20.94200 
1 1 1   17   19   35 o  107.390   10.897  148.361   28.819  180.635   43.148  122.367   38.722  117.142   15.102   95.459   16.860 21.68318 22.63489 
1 1 1   17   19   36 o  180.474   10.630  416.551   47.697  418.949   69.498  414.416   65.579  178.513   15.752  178.011   14.889 0.5020905 21.67517 
1 1 1   17   19   37 o  195.565   15.748  503.823   76.254   0.0000   0.0000  503.823   76.254  ?   ?   195.565   15.748 0.000000 15.74759 
1 1 1   17   20    0 o  296.475   24.663  1151.31  180.935  1151.31  180.935   0.0000   0.0000  296.475   24.663  ?   ?  0.000000 24.66284 
1 1 1   17   20    1 o  352.868   14.452  1577.09  127.346  1524.39  152.280  1699.69  232.245  345.267   17.722  359.842   26.021 -14.57446 31.48237 
1 1 1   17   20    2 o  235.391   13.255  702.178   77.600  751.238   91.458  576.078  146.627  242.963   15.149  207.275   29.132 35.68822 32.83589 
1 1 1   17   20    3 o  394.475   16.855  1979.59  166.030  2101.94  201.041  1717.15  294.441  405.020   19.877  356.615   33.454 48.40536 38.91412 
1 1 1   17   20    4 o  289.884   14.746  1066.75  106.391  1220.09  128.051  724.934  191.179  309.392   16.635  230.363   34.278 79.02840 38.10123 
1 1 1   17   20    5 o  212.111   12.473  569.272   65.775  591.508   77.173  510.228  125.755  215.759   14.406  196.324   26.313 19.43526 29.99850 
1 1 1   17   20    6 o  176.288   14.799  396.061   64.546  409.741   80.962  372.203  106.922  178.351   18.445  167.205   26.490 11.14616 32.27945 
1 1 1   17   20    7 o   79.346   15.620   82.483   29.847   77.965   32.474  107.075   75.761   76.826   17.338   90.887   29.326 -14.06082 34.06771 
1 1 1   17   20    8 o  248.140   13.411  779.528   82.795  856.902   98.885  598.086  151.425  259.664   15.318  211.575   29.460 48.08916 33.20409 
1 1 1   17   20    9 o  195.320   12.369  482.656   60.020  490.868   70.160  460.248  115.901  196.530   14.396  186.804   25.513 9.726120 29.29413 
1 1 1   17   20   10 o  125.747   12.926  201.461   40.013  209.514   45.018  171.168   87.315  127.976   14.333  112.071   30.420 15.90565 33.62744 
1 1 1   17   20   11 o  237.444   12.997  713.137   76.772  741.414   91.033  643.492  142.866  241.563   15.168  221.080   26.400 20.48264 30.44722 
1 1 1   17   20   12 o  143.855   23.467  273.009   81.395  273.009   81.395   0.0000   0.0000  143.855   23.467  ?   ?  0.000000 23.46706 
1 1 1   17   20   13 o  276.431   23.909  992.861  163.421  992.861  163.421   0.0000   0.0000  276.431   23.909  ?   ?  0.000000 23.90941 
1 1 1   17   20   14 o  311.639   14.451  1227.52  112.463  1252.12  135.344  1172.65  202.142  313.452   17.359  298.847   27.392 14.60507 32.42868 
1 1 1   17   20   15 o  507.164   19.445  3282.85  246.267  3263.15  299.949  3323.60  431.377  502.870   23.886  497.444   34.948 5.425537 42.33120 
1 1 1   17   20   16 o  149.263   26.416  297.067   94.858   0.0000   0.0000  297.067   94.858  ?   ?   149.263   26.416 0.000000 26.41560 
1 1 1   17   20   17 o   78.084   17.401   80.438   33.062   80.438   33.062   0.0000   0.0000   78.084   17.401  ?   ?  0.000000 17.40071 
1 1 1   17   20   18 o   71.834   16.837   68.077   29.676   51.391   32.502  151.689   72.758   63.171   19.033  105.946   27.323 -42.77470 33.29888 
1 1 1   17   20   19 o  475.935   18.387  2884.98  218.525  3001.85  266.758  2646.54  381.024  483.371   22.100  443.785   34.657 39.58578 41.10335 
1 1 1   17   20   20 o  366.277   15.236  1698.41  139.355  1757.18  169.521  1575.92  244.732  371.443   18.276  345.886   28.590 25.55710 33.93249 
1 1 1   17   20   21 o  273.497   16.905  953.593  114.893  1096.14  156.731  788.016  168.918  291.420   21.692  243.993   28.246 47.42741 35.61433 
1 1 1   17   20   22 o  378.939   19.723  1840.59  185.988  1924.95  258.253  1749.69  268.074  383.171   27.166  363.486   29.796 19.68500 40.32081 
1 1 1   17   20   23 o  279.194   12.214  982.471   85.156  1001.87  121.760  963.898  119.140  280.047   17.499  274.683   17.460 5.364349 24.71925 
1 1 1   17   20   24 o  300.053   11.063  1133.17   82.892  1287.08  119.394  989.950  115.174  318.716   15.001  278.585   16.632 40.13123 22.39753 
1 1 1   17   20   25 o  275.198   11.012  953.519   75.678  1002.24  109.103  908.342  105.062  280.547   15.635  266.977   15.829 13.57001 22.24938 
1 1 1   17   20   26 o  242.288   10.409  738.804   62.979  828.492   92.581  661.556   85.922  255.208   14.588  227.779   15.193 27.42961 21.06229 
1 1 1   17   20   27 o  250.339   10.917  789.894   68.246  850.453   99.657  736.413   93.651  258.082   15.536  240.032   15.711 18.04990 22.09482 
1 1 1   17   20   28 o  210.629   11.023  561.283   57.776  497.551   85.514  614.809   78.369  196.250   17.638  219.486   14.378 -23.23590 22.75541 
1 1 1   17   20   29 o  142.543   10.274  257.562   36.327  279.493   57.095  242.646   47.086  147.075   15.793  137.466   13.908 9.608810 21.04401 
1 1 1   17   20   30 o  315.649   11.552  1261.77   91.053  1310.08  133.417  1219.65  124.575  318.732   16.822  307.826   16.264 10.90555 23.39836 
1 1 1   17   20   31 o  185.389   9.5995  434.954   44.288  498.641   69.429  391.259   57.508  197.014   14.207  174.723   13.280 22.29091 19.44749 
1 1 1   17   20   32 o   52.352   13.980   36.328   18.621   24.601   33.701   41.482   22.341   50.451   19.248   55.890   15.477 -5.438847 24.69864 
1 1 1   17   20   33 o  157.265   9.8175  314.366   38.362  324.654   60.703  307.525   49.500  157.746   15.615  154.534   12.946 3.211777 20.28405 
1 1 1   17   20   34 o  116.111   9.7186  172.051   27.920  182.704   43.555  164.621   36.377  117.937   15.139  112.541   13.194 5.395370 20.08145 
1 1 1   17   20   35 o  178.721   10.442  407.779   46.400  358.893   69.531  447.030   62.303  164.567   17.172  185.802   13.521 -21.23517 21.85615 
1 1 1   17   20   36 o  245.023   10.585  765.430   64.766  692.226   95.569  827.606   88.076  228.904   16.837  252.472   14.025 -23.56799 21.91339 
1 1 1   17   20   37 o  269.627   27.643  1053.34  183.490   0.0000   0.0000  1053.34  183.490  ?   ?   269.627   27.643 0.000000 27.64280 
1 1 1   17   21    0 o  201.492   13.823  516.517   69.134  639.418   80.345  166.008  135.685  224.104   14.434  112.166   39.263 111.9378 41.83174 
1 1 1   17   21    1 o  293.460   24.583  1129.70  178.491  1129.70  178.491   0.0000   0.0000  293.460   24.583  ?   ?  0.000000 24.58304 
1 1 1   17   21    2 o  393.830   16.497  1974.45  162.242  2012.26  195.439  1890.62  290.987  395.933   19.767  375.077   31.355 20.85635 37.06552 
1 1 1   17   21    3 o  325.556   15.146  1344.71  123.131  1465.29  147.706  1070.05  222.926  338.504   17.534  281.150   32.341 57.35419 36.78841 
1 1 1   17   21    4 o  294.179   14.595  1096.43  107.215  1210.55  128.302  832.287  195.196  307.978   16.746  247.786   32.315 60.19189 36.39632 
1 1 1   17   21    5 o  538.485   21.010  3728.87  282.519  3818.94  343.905  3541.93  495.473  541.292   25.442  505.378   39.576 35.91382 47.04891 
1 1 1   17   21    6 o  287.135   13.921  1042.73   99.818  1099.02  119.106  909.926  182.957  293.660   16.306  261.693   28.455 31.96677 32.79626 
1 1 1   17   21    7 o  377.926   18.518  1823.54  174.768  1642.64  238.555  2033.10  256.767  353.295   27.250  393.945   26.251 -40.64990 37.83766 
1 1 1   17   21    8 o  407.190   16.811  2108.14  170.934  2123.67  206.919  2074.76  303.324  406.467   20.451  394.507   31.040 11.95947 37.17162 
1 1 1   17   21    9 o  279.587   13.614  987.595   95.047  1031.86  113.424  883.225  174.174  284.715   16.018  258.592   27.389 26.12357 31.72939 
1 1 1   17   21   10 o   61.570   17.102   49.646   27.235   43.166   29.121   94.861   76.922   58.284   18.104   87.177   29.601 -28.89284 34.69813 
1 1 1   17   21   11 o  297.130   14.099  1116.09  104.616  1148.32  125.339  1042.09  189.947  300.176   16.788  281.205   27.397 18.97018 32.13190 
1 1 1   17   21   12 o  204.015   12.676  526.845   64.262  564.187   74.952  423.224  124.857  210.759   14.326  177.505   29.182 33.25397 32.50907 
1 1 1   17   21   13 o  414.109   30.372  2273.22  311.892  2273.22  311.892   0.0000   0.0000  414.109   30.372  ?   ?  0.000000 30.37239 
1 1 1   17   21   14 o  229.133   12.439  663.664   70.905  693.465   83.259  585.000  135.271  233.773   14.331  210.607   26.293 23.16609 29.94545 
1 1 1   17   21   15 o  294.723   14.234  1098.03  104.756  1162.72  125.941  952.752  188.720  302.127   16.758  268.297   28.609 33.83026 33.15586 
1 1 1   17   21   16 o   85.687   15.733   95.876   32.425   96.484   35.214   92.487   83.132   85.700   17.054   87.597   30.729 -1.897217 35.14405 
1 1 1   17   21   17 o   96.435   15.036  120.403   35.029  147.874   38.667  -5.3038   82.716  107.127   14.854   64.268   27.866 42.85872 31.57808 
1 1 1   17   21   18 o  301.795   13.841  1150.64  104.308  1153.13  125.111  1144.97  188.904  300.879   16.717  295.817   25.831 5.061462 30.76893 
1 1 1   17   21   19 o  558.310   20.708  3995.50  288.714  4094.86  352.475  3792.91  503.297  561.786   25.125  526.398   38.556 35.38727 46.01989 
1 1 1   17   21   20 o  197.218   11.907  491.684   58.366  489.849   68.612  496.491  111.020  196.368   14.086  194.895   23.272 1.473557 27.20236 
1 1 1   17   21   21 o  110.373   16.405  157.883   43.841  167.901   52.047  133.412   81.345  113.216   19.088   99.780   30.121 13.43626 35.65996 
1 1 1   17   21   22 o  333.643   19.301  1427.75  160.120  1795.40  222.083  1029.73  231.072  371.620   24.060  275.234   34.369 96.38638 41.95387 
1 1 1   17   21   23 o  295.199   14.117  1102.48  104.063  1204.21  126.258  886.985  183.766  307.362   16.510  258.055   29.020 49.30682 33.38801 
1 1 1   17   21   24 o  226.144   13.220  648.389   74.334  712.285   89.529  506.592  133.370  236.484   15.241  194.432   28.299 42.05276 32.14253 
1 1 1   17   21   25 o  160.357   12.841  326.926   50.988  354.967   60.563  258.673   94.486  166.687   14.700  137.733   28.414 28.95381 31.99172 
1 1 1   17   21   26 o   97.287   11.341  120.923   27.035  106.959   42.664  130.291   34.946   89.578   19.616  100.389   14.348 -10.81108 24.30351 
1 1 1   17   21   27 o  171.053   10.675  370.225   45.370  351.081   67.663  385.864   61.155  164.990   16.650  173.770   14.217 -8.780640 21.89456 
1 1 1   17   21   28 o  127.755   9.8434  206.795   31.161  221.688   49.161  196.792   40.290  131.006   15.316  123.878   13.229 7.128082 20.23821 
1 1 1   17   21   29 o   98.852   10.898  124.919   26.455   95.740   43.109  142.546   33.507   84.153   20.665  105.184   13.036 -21.03081 24.43297 
1 1 1   17   21   30 o  284.136   11.440  1022.84   81.172  1071.01  119.365  981.401  110.711  287.983   16.669  275.922   16.138 12.06055 23.20143 
1 1 1   17   21   31 o   48.274   13.943   30.474   17.749   41.407   34.010   26.382   20.807   57.921   19.682   46.336   15.393 11.58507 24.98711 
1 1 1   17   21   32 o  139.732   9.9465  248.318   34.480  243.666   55.045  251.322   44.234  136.270   16.513  139.748   12.818 -3.477325 20.90423 
1 1 1   17   21   33 o  130.822   11.467  219.546   37.082  216.142   51.924  223.089   52.976  127.955   16.644  129.997   16.706 -2.041626 23.58195 
1 1 1   17   21   34 o  105.365   14.545  145.895   37.250  350.579  109.520  119.119   39.612  155.116   29.349   93.980   17.523 61.13609 34.18233 
1 1 1   17   21   35 o  161.229   16.335  343.111   64.861  209.837  129.666  387.588   74.906  113.621   38.433  170.586   17.849 -56.96468 42.37493 
1 1 1   17   21   36 o  201.114   19.325  545.046   95.857   0.0000   0.0000  545.046   95.857  ?   ?   201.114   19.325 0.000000 19.32458 
1 1 1   17   22    0 o  329.394   15.259  1380.38  125.513  1465.69  149.438  1176.06  231.261  337.874   17.774  293.578   32.066 44.29620 36.66278 
1 1 1   17   22    1 o  371.800   16.340  1762.40  151.705  1902.85  182.074  1443.52  274.345  384.967   18.940  323.862   34.451 61.10492 39.31429 
1 1 1   17   22    2 o  119.728   25.174  193.961   72.880  193.961   72.880   0.0000   0.0000  119.728   25.174  ?   ?  0.000000 25.17448 
1 1 1   17   22    3 o  447.177   17.410  2553.67  194.419  2508.64  234.475  2652.74  347.801  440.784   21.302  443.712   31.595 -2.928070 38.10574 
1 1 1   17   22    4 o  210.676   12.922  563.009   67.654  589.130   78.086  484.373  135.487  215.057   14.627  189.106   29.667 25.95168 33.07680 
1 1 1   17   22    5 o  678.334   25.729  6019.44  435.826  6175.58  531.805  5700.09  760.544  679.636   31.335  622.261   49.349 57.37457 58.45664 
1 1 1   17   22    6 o  200.271   13.318  509.228   66.227  566.111   77.086  348.917  129.410  210.826   14.735  158.367   33.755 52.45917 36.83056 
1 1 1   17   22    7 o  125.724   14.090  202.476   43.477  241.194   48.789   53.158   95.813  137.267   14.450   80.240   31.918 57.02670 35.03714 
1 1 1   17   22    8 o  312.256   17.925  1248.05  139.184  1313.74  188.018  1168.41  207.024  317.422   23.895  296.752   28.279 20.67056 37.02262 
1 1 1   17   22    9 f  281.671   13.950  1003.66   98.122  1094.08  117.243  792.252  179.272  293.043   16.083  243.006   30.193 50.03770 34.20942 
1 1 1   17   22   10 o  131.900   12.212  221.205   39.767  188.702   43.784  374.339   95.036  121.198   14.772  168.753   23.163 -47.55457 27.47281 
1 1 1   17   22   11 o  254.567   13.609  821.303   86.202  929.601  102.479  559.277  159.403  270.378   15.240  202.619   32.610 67.75961 35.99583 
1 1 1   17   22   12 o  150.536   12.413  287.683   46.245  295.982   52.259  257.722   99.293  152.398   13.884  137.361   29.804 15.03748 32.87901 
1 1 1   17   22   13 f  410.196   19.937  2155.26  204.217  2155.26  204.217   0.0000   0.0000  410.196   19.937  ?   ?  0.000000 19.93657 
1 1 1   17   22   14 o  147.755   23.855  288.915   85.019  288.915   85.019   0.0000   0.0000  147.755   23.855  ?   ?  0.000000 23.85477 
1 1 1   17   22   15 o  165.886   12.126  348.644   49.884  321.413   56.418  446.202  106.787  158.762   14.387  184.369   23.746 -25.60716 27.76429 
1 1 1   17   22   16 o  120.711   15.018  187.283   44.291  187.283   44.291   0.0000   0.0000  120.711   15.018  ?   ?  0.000000 15.01795 
1 1 1   17   22   17 o  173.070   12.136  379.341   52.117  369.742   59.186  412.479  109.965  170.450   14.030  176.433   25.715 -5.982605 29.29322 
1 1 1   17   22   18 o  382.057   15.369  1850.42  146.628  1842.45  176.950  1867.88  261.937  379.882   18.653  376.409   28.069 3.472351 33.70135 
1 1 1   17   22   19 o  150.610   12.833  288.266   47.805  331.040   54.601  147.810   98.941  161.289   13.686  105.160   33.469 56.12824 36.15911 
1 1 1   17   22   20 o  117.237   14.009  176.195   40.201  191.419   45.234  118.976   87.694  122.002   15.175   95.778   31.591 26.22460 35.04703 
1 1 1   17   22   21 o  262.187   15.890  875.792  103.544  852.414  137.528  906.386  157.326  256.466   21.677  263.357   24.193 -6.890778 32.48359 
1 1 1   17   22   22 o  262.710   13.808  875.260   90.266  1003.35  109.206  599.022  160.373  280.726   15.640  210.178   31.528 70.54851 35.19447 
1 1 1   17   22   23 o  148.186   13.224  279.676   48.419  317.931   56.095  167.882   95.895  157.797   14.394  110.565   32.546 47.23225 35.58688 
1 1 1   17   22   24 o   82.855   17.262   90.693   34.556  107.526   38.658   23.755   77.089   90.273   17.781   67.854   28.022 22.41918 33.18747 
1 1 1   17   22   25 o  122.904   13.597  193.537   41.033  202.329   47.439  167.417   81.764  125.236   15.500  110.209   29.231 15.02754 33.08603 
1 1 1   17   22   26 o  219.126   12.151  608.677   66.230  650.445   79.522  514.107  119.658  225.943   14.166  196.585   24.935 29.35793 28.67822 
1 1 1   17   22   27 o  250.021   12.661  793.727   78.793  876.328   96.107  624.379  137.611  261.974   14.751  215.841   26.058 46.13329 29.94363 
1 1 1   17   22   28 o  131.651   13.084  222.099   42.445  235.945   51.128  191.399   76.131  135.077   15.435  117.727   26.531 17.34945 30.69441 
1 1 1   17   22   29 o  145.275   12.914  270.243   46.360  280.008   55.758  248.377   83.437  147.141   15.403  134.447   25.790 12.69460 30.03968 
1 1 1   17   22   30 o  107.663   15.248  151.396   39.848  111.653   91.894  160.600   44.223   91.740   32.299  110.539   16.528 -18.79926 36.28198 
1 1 1   17   22   31 o  271.341   15.797  952.280  106.575  1053.79  167.295  882.944  138.261  279.133   24.241  257.326   21.719 21.80731 32.54782 
1 1 1   17   22   32 o  131.069   14.592  223.573   46.949  240.518  101.631  218.975   52.936  127.357   31.997  128.844   16.857 -1.486786 36.16538 
1 1 1   17   22   33 o  102.961   9.4967  135.353   24.142  182.258   40.659  109.812   30.004  118.222   14.047   91.558   13.530 26.66470 19.50384 
1 1 1   17   22   34 o  125.267   9.2984  199.900   28.879  250.787   45.907  166.573   37.151  139.000   13.391  113.035   13.424 25.96439 18.96132 
1 1 1   17   22   35 o   73.501   10.658   70.205   18.991   48.719   28.564   87.228   25.424   60.095   17.783   81.419   12.938 -21.32373 21.99141 
1 1 1   17   22   36 o  122.415   26.765  219.430   79.538   0.0000   0.0000  219.430   79.538  ?   ?   122.415   26.765 0.000000 26.76516 
1 1 1   17   23    0 o   75.076   17.540   75.072   32.292   78.837   34.087   42.113  100.840   76.876   18.062   78.501   32.192 -1.624886 36.91309 
1 1 1   17   23    1 o  587.703   21.568  4484.65  316.538  4327.90  383.630  4818.99  560.275  571.295   26.891  584.192   38.624 -12.89648 47.06259 
1 1 1   17   23    2 o  112.472   14.306  163.073   39.271  178.567   42.371   68.683  104.584  117.660   14.745   85.195   33.518 32.46523 36.61805 
1 1 1   17   23    3 f  212.148   22.285  590.123  116.293  590.123  116.293   0.0000   0.0000  212.148   22.285  ?   ?  0.000000 22.28452 
1 1 1   17   23    4 o  199.029   13.026  503.284   64.382  543.258   73.783  375.712  131.809  206.425   14.404  164.026   33.316 42.39883 36.29671 
1 1 1   17   23    5 o  101.385   14.967  133.212   36.755  159.849   39.767 -22.8998   96.273  111.315   14.663   65.808   29.242 45.50748 32.71228 
1 1 1   17   23    6 o  169.294   13.369  364.857   56.061  416.832   63.976  192.935  116.354  180.783   14.288  117.623   36.131 63.16024 38.85316 
1 1 1   17   23    7 o  206.293   12.462  539.386   63.896  547.793   73.323  512.854  130.258  207.432   14.241  195.707   27.404 11.72475 30.88405 
1 1 1   17   23    8 o  288.508   14.044  1054.29  101.181  1094.23  120.355  958.040  186.845  292.683   16.535  268.006   28.348 24.67679 32.81806 
1 1 1   17   23    9 o  231.773   15.747  685.677   90.597  691.640  116.448  676.533  144.205  231.106   20.387  226.058   26.020 5.047348 33.05514 
1 1 1   17   23   10 o  148.484   12.475  280.224   45.827  278.511   51.219  287.102  102.611  147.678   14.059  145.013   29.343 2.664932 32.53730 
1 1 1   17   23   11 o  236.405   13.064  708.243   76.825  763.990   90.093  559.675  147.076  245.059   14.791  203.730   29.789 41.32875 33.25933 
1 1 1   17   23   12 o  223.478   12.661  632.481   70.369  694.235   82.318  464.870  135.616  233.761   14.169  185.140   30.388 48.62106 33.52864 
1 1 1   17   23   13 o  244.136   13.414  755.616   81.466  839.981   96.117  540.417  153.511  256.954   15.045  199.183   31.942 57.77057 35.30828 
1 1 1   17   23   15 o  275.314   24.049  990.292  163.677  990.292  163.677   0.0000   0.0000  275.314   24.049  ?   ?  0.000000 24.04855 
1 1 1   17   23   16 o   56.479   17.176   40.883   26.379   27.268   27.663  177.364   87.584   49.681   17.696  113.648   30.306 -63.96748 35.09426 
1 1 1   17   23   17 o  197.644   12.400  494.733   60.893  510.507   70.034  445.865  123.270  200.378   14.086  182.409   27.953 17.96837 31.30130 
1 1 1   17   23   18 o  157.389   12.585  314.575   49.050  326.545   55.127  269.081  107.473  160.078   13.929  139.648   31.561 20.42961 34.49827 
1 1 1   17   23   19 o   51.738   17.334   32.222   26.375   29.358   27.782   58.381   83.962   50.749   17.766   78.341   30.256 -27.59201 35.08629 
1 1 1   17   23   20 f  269.373   13.332  917.230   89.684  943.875  106.595  852.670  165.927  272.170   15.751  253.983   26.554 18.18713 30.87417 
1 1 1   17   23   21 o  228.852   16.127  669.107   91.574  741.224  119.583  566.852  142.394  239.432   20.189  205.622   28.497 33.80977 34.92402 
1 1 1   17   23   22 o  273.003   17.142  954.000  116.273  1075.07  156.626  805.367  173.542  287.662   21.970  245.244   28.891 42.41794 36.29580 
1 1 1   17   23   23 o  171.254   12.482  372.389   53.013  408.604   61.444  266.917  104.859  179.096   13.846  138.844   31.025 40.25179 33.97412 
1 1 1   17   23   24 o   83.647   16.699   92.278   33.659   87.553   37.111  114.186   79.915   81.070   18.711   92.937   30.133 -11.86683 35.46946 
1 1 1   17   23   25 o  224.111   12.659  637.471   70.554  705.448   84.121  476.219  129.562  235.247   14.389  187.285   28.611 47.96220 32.02499 
1 1 1   17   23   26 o  313.324   13.816  1246.83  108.103  1337.15  131.349  1057.20  190.318  323.009   16.337  280.508   27.524 42.50076 32.00753 
1 1 1   17   23   27 o   74.919   17.720   74.996   32.631   91.257   36.781   14.893   70.714   82.627   18.308   63.013   26.490 19.61345 32.20092 
1 1 1   17   23   28 f  207.739   12.423  549.498   64.151  574.933   77.891  495.865  113.107  211.649   14.831  192.247   24.089 19.40190 28.28852 
1 1 1   17   23   29 o  300.265   26.766  1226.09  198.594  1226.09  198.594   0.0000   0.0000  300.265   26.766  ?   ?  0.000000 26.76636 
1 1 1   17   23   30 o  106.914   31.597  165.349   90.224  165.349   90.224   0.0000   0.0000  106.914   31.597  ?   ?  0.000000 31.59672 
1 1 1   17   23   31 o  305.733   13.587  1197.19  103.736  1287.74  128.350  1026.61  176.159  314.923   16.377  273.103   26.150 41.81943 30.85507 
1 1 1   17   23   32 o  219.628   12.023  617.345   65.692  668.594   82.736  529.922  108.060  227.262   14.657  197.662   22.281 29.59998 26.66966 
1 1 1   17   23   33 o  112.668   12.093  164.079   33.492  178.248   43.272  142.908   52.895  116.366   15.259  101.495   21.536 14.87125 26.39424 
1 1 1   17   23   34 o  183.154   10.996  429.401   50.062  413.260   63.541  455.818   81.288  178.110   14.410  185.147   17.801 -7.037720 22.90237 
1 1 1   17   23   35 o   42.162   14.210   21.825   17.726   0.0000   0.0000   21.825   17.726  ?   ?    42.162   14.210 0.000000 14.21035 
1 1 1   17   24    0 o  313.025   18.987  1270.80  147.717  1345.22  198.581  1178.61  221.023  317.642   25.243  292.862   30.677 24.77994 39.72812 
1 1 1   17   24    1 o  357.405   20.495  1662.80  182.154  1855.34  249.097  1441.50  267.048  372.139   26.988  321.767   33.737 50.37262 43.20364 
1 1 1   17   24    2 o   96.155   15.923  121.006   36.896  133.028   39.456   37.272  104.132  100.844   16.218   78.338   32.478 22.50553 36.30165 
1 1 1   17   24    3 f   54.787   17.699   37.610   27.590   40.172   28.752   7.8135   98.049   56.411   18.052   71.201   30.604 -14.79053 35.53163 
1 1 1   17   24    4 o  203.518   22.076  544.223  110.397  544.223  110.397   0.0000   0.0000  203.518   22.076  ?   ?  0.000000 22.07628 
1 1 1   17   24    5 o  297.228   13.074  1118.86   97.040  1079.47  113.218  1227.89  188.378  290.667   15.656  304.880   24.962 -14.21320 29.46500 
1 1 1   17   24    6 o  159.789   12.443  324.712   49.260  331.823   54.705  294.229  113.261  161.227   13.718  145.076   32.112 16.15092 34.91949 
1 1 1   17   24    7 o  366.879   14.391  1708.53  131.849  1639.12  156.719  1876.65  243.913  357.936   17.533  376.786   26.084 -18.85040 31.42900 
1 1 1   17   24    8 o  247.432   12.996  776.624   80.021  798.169   93.114  715.762  156.498  250.213   14.971  231.234   27.651 18.97960 31.44352 
1 1 1   17   24    9 o  262.951   17.393  887.082  113.565  1011.97  149.954  719.114  173.906  278.903   21.701  229.948   31.082 48.95515 37.90823 
1 1 1   17   24   10 o  247.470   12.804  776.196   78.854  776.003   92.020  776.727  152.986  246.759   15.005  242.252   25.681 4.506683 29.74290 
1 1 1   17   24   11 o   66.179   17.495   57.934   29.351   53.633   31.097   93.054   88.859   63.981   18.448   88.202   31.685 -24.22081 36.66415 
1 1 1   17   24   12 o  229.495   12.541  667.218   71.601  686.244   82.917  611.434  141.978  232.236   14.368  214.070   27.171 18.16632 30.73610 
1 1 1   17   24   13 o   67.677   28.817   9.0061   85.465   0.0000   0.0000   9.0061   85.465  ?   ?    67.677   28.817 0.000000 28.81651 
1 1 1   17   24   14 o  125.264   12.897  200.317   39.766  200.898   43.197  197.088  101.809  125.191   14.061  118.989   33.072 6.202667 35.93683 
1 1 1   17   24   15 o  226.408   22.686  669.837  126.537  669.837  126.537   0.0000   0.0000  226.408   22.686  ?   ?  0.000000 22.68597 
1 1 1   17   24   16 o   85.324   16.218   95.553   33.293  110.763   35.566 -12.1746   94.652   92.065   16.054   67.118   29.442 24.94639 33.53407 
1 1 1   17   24   17 o  123.272   13.405  194.383   40.601  207.202   44.439  129.633   99.878  127.129   14.243   99.794   33.731 27.33491 36.61432 
1 1 1   17   24   18 o  133.860   13.027  228.555   42.993  229.527   47.357  224.000  102.537  133.838   14.396  126.839   32.289 6.999168 35.35282 
1 1 1   17   24   19 o  115.719   13.482  171.628   38.229  178.820   41.490  131.195   98.376  117.945   14.385  100.003   33.477 17.94159 36.43711 
1 1 1   17   24   20 o   97.045   15.501  122.509   36.301  142.999   39.394   7.1579   93.469  105.016   15.487   70.038   29.986 34.97755 33.74939 
1 1 1   17   24   21 f   86.400   18.037   98.889   37.659   96.874   41.631  107.962   88.338   85.161   19.929   92.189   31.713 -7.028038 37.45558 
1 1 1   17   24   22 o  297.672   18.493  1140.19  136.784  1366.06  185.618  871.767  202.347  323.285   23.145  252.107   32.928 71.17805 40.24858 
1 1 1   17   24   23 o  313.297   13.740  1244.53  107.499  1343.89  129.164  1020.62  193.908  324.712   15.929  275.639   28.587 49.07239 32.72523 
1 1 1   17   24   24 o  106.233   14.457  145.923   37.355  163.325   41.467   70.993   86.044  112.308   15.174   81.404   30.827 30.90461 34.35894 
1 1 1   17   24   25 o  108.067   14.583  151.169   38.350  168.761   42.752   78.707   86.767  114.063   15.403   83.334   31.082 30.72904 34.68900 
1 1 1   17   24   26 o   91.643   15.841  110.285   34.941  107.538   38.688  122.444   81.386   89.943   17.855   94.852   30.373 -4.908279 35.23227 
1 1 1   17   24   27 o  103.038   14.832  138.215   37.064  156.376   41.806   71.505   80.124  109.452   15.749   79.524   29.827 29.92786 33.72976 
1 1 1   17   24   28 o   88.744   29.311  106.441   75.483  106.441   75.483   0.0000   0.0000   88.744   29.311  ?   ?  0.000000 29.31117 
1 1 1   17   24   29 o  191.906   24.730  501.038  115.755  501.038  115.755   0.0000   0.0000  191.906   24.730  ?   ?  0.000000 24.72995 
1 1 1   17   24   30 o  187.369   12.119  448.884   56.399  485.915   68.211  368.856  100.275  194.155   14.167  163.410   25.398 30.74481 29.08171 
1 1 1   17   24   31 o  117.394   12.884  178.283   37.149  193.217   45.272  147.497   65.000  121.449   15.265  101.937   25.577 19.51200 29.78568 
1 1 1   17   24   32 o  215.041   11.513  591.424   61.601  636.604   77.189  512.180  102.228  221.882   14.003  194.497   21.402 27.38490 25.57562 
1 1 1   17   24   33 o   44.551   16.081   22.325   22.921   31.054   29.157   8.2031   37.084   51.203   18.176   45.834   19.221 5.369450 26.45391 
1 1 1   17   24   34 o  174.325   10.341  388.352   44.817  299.742   56.681  536.158   73.205  151.006   15.240  202.755   14.555 -51.74823 21.07373 
1 1 1   17   24   35 o   55.764   21.858   30.126   44.327   0.0000   0.0000   30.126   44.327  ?   ?    55.764   21.858 0.000000 21.85835 
1 1 1   17   25    0 o  163.663   33.351  385.539  131.676   0.0000   0.0000  385.539  131.676  ?   ?   163.663   33.351 0.000000 33.35055 
1 1 1   17   25    1 o  113.177   21.801  172.886   59.378  205.955   70.584   92.828  109.825  122.984   23.844   90.364   34.681 32.62014 42.08712 
1 1 1   17   25    2 o  167.387   17.839  364.788   73.416  366.017   89.811  362.312  127.458  165.847   22.246  159.429   33.098 6.417862 39.87946 
1 1 1   17   25    3 o   84.912   16.169   95.178   33.032   96.889   34.762   79.263  106.041   85.515   16.878   87.115   33.902 -1.599960 37.87049 
1 1 1   17   25    4 o  139.563   13.078  249.180   45.049  241.661   48.759  293.020  117.732  137.057   14.465  143.306   33.499 -6.248352 36.48902 
1 1 1   17   25    5 o  233.321   22.731  717.582  130.761  717.582  130.761   0.0000   0.0000  233.321   22.731  ?   ?  0.000000 22.73137 
1 1 1   17   25    6 o   47.846   17.348   24.616   26.716   27.461   27.839  -8.5287   95.020   49.686   17.747   67.357   29.524 -17.67140 34.44717 
1 1 1   17   25    7 o  157.538   11.862  315.383   46.321  283.471   50.484  485.289  116.489  148.855   13.736  190.632   25.079 -41.77649 28.59421 
1 1 1   17   25    8 o  145.488   12.436  269.647   44.749  260.649   48.963  315.273  110.254  142.664   13.921  150.884   30.314 -8.219727 33.35777 
1 1 1   17   25    9 o  297.912   13.721  1125.62  102.080  1116.82  119.907  1148.80  194.570  295.378   16.319  293.601   26.835 1.776917 31.40737 
1 1 1   17   25   10 o  195.776   15.710  491.219   76.159  502.249   93.548  469.540  131.152  196.714   19.292  185.717   29.247 10.99748 35.03656 
1 1 1   17   25   11 o   67.194   17.054   59.894   28.665   51.016   30.072  148.215   94.852   62.433   18.182  104.161   32.726 -41.72827 37.43761 
1 1 1   17   25   12 o   45.685   16.924   21.037   25.638   19.636   26.719   37.294   91.020   45.548   17.195   75.057   30.660 -29.50844 35.15224 
1 1 1   17   25   13 o   64.100   17.881   54.151   29.706   55.356   31.270   43.006   95.111   64.859   18.436   77.463   31.457 -12.60435 36.46124 
1 1 1   17   25   14 o  135.847   12.504  235.153   41.943  221.612   45.528  311.117  107.837  131.486   14.085  150.496   29.749 -19.00984 32.91450 
1 1 1   17   25   15 o  239.874   12.934  729.884   77.190  775.735   89.231  593.553  153.865  246.810   14.542  208.908   30.385 37.90179 33.68525 
1 1 1   17   25   16 o  236.407   22.789  731.987  132.871  731.987  132.871   0.0000   0.0000  236.407   22.789  ?   ?  0.000000 22.78931 
1 1 1   17   25   17 o  261.812   13.257  869.787   86.389  887.924  100.641  819.007  168.403  263.823   15.342  247.497   27.724 16.32591 31.68602 
1 1 1   17   25   18 o   61.505   17.431   49.653   27.996   53.092   29.254   12.229   96.495   63.497   17.756   71.821   30.601 -8.323669 35.37968 
1 1 1   17   25   19 o  245.866   12.810  766.678   78.375  778.552   90.808  732.002  155.182  247.137   14.782  234.096   27.043 13.04018 30.81975 
1 1 1   17   25   20 o  319.472   13.420  1293.07  107.065  1225.59  126.059  1467.76  202.825  309.533   16.367  334.023   24.487 -24.49026 29.45293 
1 1 1   17   25   21 o  171.844   12.955  375.916   55.186  414.186   62.215  234.661  119.527  180.161   13.937  128.169   35.909 51.99203 38.51902 
1 1 1   17   25   22 o  182.940   16.039  430.200   72.532  493.916   89.942  311.701  122.658  195.154   18.684  148.294   33.866 46.86006 38.67821 
1 1 1   17   25   23 o  238.948   13.076  725.956   77.730  826.978   91.634  466.768  146.777  254.572   14.474  182.232   33.488 72.33969 36.48204 
1 1 1   17   25   24 o   95.224   15.666  118.678   35.956  127.395   39.288   73.728   89.215   98.492   16.562   82.435   31.348 16.05653 35.45423 
1 1 1   17   25   25 o   70.974   17.299   67.298   30.381   65.464   32.779   78.475   80.923   69.953   18.486   81.737   30.107 -11.78450 35.32938 
1 1 1   17   25   26 o   88.321   15.477  102.617   32.891  101.624   35.972  107.676   81.230   87.454   17.084   89.917   30.419 -2.462433 34.88810 
1 1 1   17   25   27 o  132.341   13.028  225.011   42.498  227.326   48.398  217.215   88.816  132.465   14.889  123.708   29.217 8.757607 32.79175 
1 1 1   17   25   28 o   68.168   26.740   44.208   66.378   44.208   66.378   0.0000   0.0000   68.168   26.740  ?   ?  0.000000 26.74018 
1 1 1   17   25   29 o  134.006   13.018  231.387   43.014  230.481   49.610  234.131   86.329  133.003   15.210  128.382   27.738 4.621094 31.63445 
1 1 1   17   25   30 o  266.553   12.790  908.639   85.132  966.885  102.806  781.558  151.855  273.308   15.122  237.564   26.023 35.74332 30.09790 
1 1 1   17   25   31 o  201.165   11.659  517.946   58.317  567.896   70.986  414.245  102.282  209.749   13.626  172.864   24.371 36.88522 27.92139 
1 1 1   17   25   32 o  139.379   11.685  249.923   40.294  234.027   49.573  280.873   69.172  133.522   15.135  144.123   19.738 -10.60168 24.87293 
1 1 1   17   25   33 o  168.444   11.093  363.841   46.399  380.310   58.688  336.384   75.777  170.988   13.864  157.598   19.684 13.39050 24.07613 
1 1 1   17   25   34 o   70.707   21.534   69.347   41.441   0.0000   0.0000   69.347   41.441  ?   ?    70.707   21.534 0.000000 21.53360 
1 1 1   17   26    0 o   71.407   24.029   66.018   50.683   66.184   57.729   65.461  105.862   72.675   25.598   82.557   33.305 -9.881905 42.00624 
1 1 1   17   26    1 o  229.253   29.556  734.748  165.265   0.0000   0.0000  734.748  165.265  ?   ?   229.253   29.556 0.000000 29.55621 
1 1 1   17   26    2 o  112.723   21.506  171.954   58.328  212.158   68.485   65.749  111.308  124.984   22.782   84.442   34.121 40.54202 41.02773 
1 1 1   17   26    3 o  118.306   20.822  187.785   59.269  187.522   69.375  188.497  114.040  116.793   24.565  113.907   35.898 2.886612 43.49881 
1 1 1   17   26    4 o  200.715   17.627  523.252   87.454  575.877  109.858  432.201  144.503  208.801   21.370  173.102   34.638 35.69823 40.70006 
1 1 1   17   26    5 o   90.967   15.446  108.565   33.832  100.085   35.485  193.235  112.133   86.867   16.967  115.790   35.453 -28.92321 39.30372 
1 1 1   17   26    6 o  154.452   22.390  318.093   83.839  318.093   83.839   0.0000   0.0000  154.452   22.390  ?   ?  0.000000 22.38974 
1 1 1   17   26    7 o  294.841   12.494  1101.80   91.993  959.574  105.319  1559.58  188.947  273.666   15.475  344.796   22.060 -71.13055 26.94653 
1 1 1   17   26    8 o  146.428   13.040  274.041   47.184  278.906   51.496  248.590  117.787  147.431   14.162  131.244   35.209 16.18710 37.95067 
1 1 1   17   26    9 o  168.883   12.943  363.626   54.169  404.944   60.402  193.834  122.443  178.059   13.689  116.744   37.241 61.31553 39.67709 
1 1 1   17   26   10 o  119.671   13.417  183.872   39.405  188.801   42.497  153.645  105.242  121.051   14.337  105.720   34.595 15.33076 37.44848 
1 1 1   17   26   11 o  191.994   14.810  471.840   70.458  395.611   83.836  655.167  130.012  174.057   19.631  222.476   23.770 -48.41974 30.82820 
1 1 1   17   26   12 o  146.809   12.481  274.665   45.321  260.701   49.247  351.925  115.838  142.625   14.008  159.535   30.182 -16.90959 33.27452 
1 1 1   17   26   13 o  112.887   14.597  164.583   40.185  164.583   40.185   0.0000   0.0000  112.887   14.597  ?   ?  0.000000 14.59701 
1 1 1   17   26   14 o  173.342   12.863  382.519   55.283  402.200   61.940  305.441  122.579  177.434   14.095  146.680   34.110 30.75362 36.90788 
1 1 1   17   26   15 o  132.577   12.798  224.518   41.842  218.399   45.375  259.283  108.157  130.411   14.161  135.682   32.373 -5.271698 35.33481 
1 1 1   17   26   16 o   78.595   17.426   82.090   33.303   82.090   33.303   0.0000   0.0000   78.595   17.426  ?   ?  0.000000 17.42557 
1 1 1   17   26   17 o  242.706   17.222  757.795  103.701  765.099  135.210  747.361  161.605  241.308   22.705  235.486   28.032 5.821854 36.07387 
1 1 1   17   26   18 o   90.816   16.135  108.247   35.252  128.244   37.544 -40.6885  102.461   99.156   15.684   65.052   29.432 34.10357 33.34975 
1 1 1   17   26   19 o  215.960   12.002  591.497   64.468  547.045   72.463  760.260  141.191  207.048   14.099  239.768   23.900 -32.72017 27.74847 
1 1 1   17   26   20 o  176.112   12.101  394.154   52.897  380.283   58.582  455.386  123.087  172.544   13.709  183.061   27.800 -10.51735 30.99607 
1 1 1   17   26   21 o  307.356   13.244  1198.77  101.654  1154.98  118.841  1318.17  196.237  300.236   15.908  314.947   25.161 -14.71036 29.76825 
1 1 1   17   26   22 o  211.918   16.320  578.263   85.701  632.195  107.419  483.819  142.148  220.125   19.752  186.137   31.719 33.98875 37.36592 
1 1 1   17   26   23 o  158.804   12.612  321.856   49.605  355.096   55.486  189.521  110.711  166.610   13.451  114.910   35.235 51.69964 37.71478 
1 1 1   17   26   24 o  152.744   12.320  297.842   46.592  334.020   52.064  152.373  104.399  161.611   13.011  104.366   34.471 57.24587 36.84514 
1 1 1   17   26   25 o  158.334   12.242  320.118   48.027  330.003   54.072  283.183  104.525  160.354   13.633  141.147   30.542 19.20676 33.44648 
1 1 1   17   26   26 o  176.817   12.431  399.471   54.540  433.364   62.640  293.259  110.889  183.740   13.752  142.483   31.954 41.25758 34.78715 
1 1 1   17   26   27 o  113.703   14.487  168.217   40.199  201.594   44.229   9.6860   96.390  124.623   14.482   69.667   30.145 54.95549 33.44287 
1 1 1   17   26   28 f  120.449   26.129  204.389   76.331  204.389   76.331   0.0000   0.0000  120.449   26.129  ?   ?  0.000000 26.12900 
1 1 1   17   26   29 o   61.084   18.021   49.832   29.372   50.021   31.778   48.723   76.940   61.425   18.884   71.551   28.558 -10.12632 34.23746 
1 1 1   17   26   30 o   66.308   17.802   59.700   30.098   66.087   33.222   30.456   71.091   69.590   18.712   65.218   26.920 4.372147 32.78438 
1 1 1   17   26   31 o  248.087   12.251  788.567   75.896  836.521   91.919  685.839  134.537  253.820   14.563  221.950   24.692 31.86967 28.66684 
1 1 1   17   26   32 o  235.513   11.681  710.158   68.698  739.455   84.052  651.207  119.229  238.559   14.173  217.742   22.240 20.81700 26.37182 
1 1 1   17   26   33 o   72.391   22.687   72.858   45.618   0.0000   0.0000   72.858   45.618  ?   ?    72.391   22.687 0.000000 22.68735 
1 1 1   17   26   34 o   70.833   21.103   70.023   40.122   0.0000   0.0000   70.023   40.122  ?   ?    70.833   21.103 0.000000 21.10284 
1 1 1   17   27    0 o   72.353   23.268   70.760   47.723   57.324   52.736  131.528  112.150   68.035   24.412   96.434   35.455 -28.39803 43.04640 
1 1 1   17   27    1 o  102.886   22.149  146.372   55.222  171.398   63.038   63.814  114.497  110.948   23.485   83.160   34.226 27.78838 41.50844 
1 1 1   17   27    2 o  132.214   36.866  268.819  126.294   0.0000   0.0000  268.819  126.294  ?   ?   132.214   36.866 0.000000 36.86567 
1 1 1   17   27    3 o   69.012   23.573   60.575   48.787   78.982   54.917  -8.3553  106.271   76.875   24.983   69.619   30.839 7.255989 39.68868 
1 1 1   17   27    4 f  114.173   21.413  176.717   58.807  166.314   68.295  206.550  115.657  109.122   25.518  117.765   35.997 -8.642136 44.12431 
1 1 1   17   27    5 o  142.158   19.039  267.169   65.889  278.752   78.013  238.346  123.060  143.766   22.465  126.182   36.791 17.58324 43.10730 
1 1 1   17   27    6 o  157.197   12.795  316.252   49.789  349.018   54.228  140.314  125.659  165.040   13.270  102.527   37.554 62.51300 39.82977 
1 1 1   17   27    7 o  195.477   21.818  507.230  104.686  507.230  104.686   0.0000   0.0000  195.477   21.818  ?   ?  0.000000 21.81800 
1 1 1   17   27    8 o  197.272   12.405  495.738   60.799  485.471   67.337  541.047  141.452  194.704   13.941  197.577   29.579 -2.873077 32.70020 
1 1 1   17   27    9 f   80.706   16.286   86.365   31.690   90.437   33.311   47.561  102.833   82.521   16.737   79.465   32.539 3.055794 36.59132 
1 1 1   17   27   10 o   41.532   16.124   14.387   23.944   9.3039   24.624  102.730  102.658   39.693   16.045   91.719   33.887 -52.02586 37.49397 
1 1 1   17   27   11 o  118.736   21.076  188.565   60.203  167.447   71.584  239.598  111.278  110.008   26.395  128.893   34.060 -18.88470 43.09035 
1 1 1   17   27   12 o  182.952   19.017  436.876   85.612  436.876   85.612   0.0000   0.0000  182.952   19.017  ?   ?  0.000000 19.01699 
1 1 1   17   27   13 o   61.666   17.274   50.269   27.661   48.787   28.734   69.020  102.197   60.940   17.780   84.091   33.118 -23.15035 37.58895 
1 1 1   17   27   14 o  266.113   13.876  902.927   91.892  994.135  107.148  649.291  178.678  278.576   15.463  214.224   34.578 64.35236 37.87804 
1 1 1   17   27   15 o  284.473   13.685  1028.61   97.216  1045.53  113.176  980.999  189.876  285.494   15.938  268.670   28.747 16.82410 32.86963 
1 1 1   17   27   16 o  216.219   12.673  594.676   68.126  590.057   77.021  611.282  146.031  214.786   14.444  211.816   28.317 2.970200 31.78794 
1 1 1   17   27   17 o  124.998   24.055  211.874   72.360  211.874   72.360   0.0000   0.0000  124.998   24.055  ?   ?  0.000000 24.05486 
1 1 1   17   27   18 f  155.310   12.384  307.546   47.632  304.127   51.822  326.162  120.925  154.111   13.605  151.425   32.918 2.686203 35.61906 
1 1 1   17   27   19 o  154.883   12.245  305.800   46.973  315.650   51.100  252.092  119.322  157.131   13.144  131.659   35.488 25.47176 37.84342 
1 1 1   17   27   20 o  250.681   12.833  799.788   80.068  804.140   91.504  785.571  165.398  250.634   14.684  240.100   28.118 10.53381 31.72176 
1 1 1   17   27   21 o  123.117   13.372  194.950   40.451  217.524   43.363   43.614  112.275  130.076   13.549   80.999   33.664 49.07697 36.28808 
1 1 1   17   27   22 o  156.715   12.607  313.892   48.920  318.849   53.629  289.325  119.388  157.610   13.764  140.945   34.256 16.66504 36.91735 
1 1 1   17   27   23 f  128.576   15.325  214.697   48.237  175.769   53.583  381.120  110.790  114.825   19.377  165.889   27.723 -51.06396 33.82306 
1 1 1   17   27   24 o  214.594   12.440  587.550   66.376  637.455   76.010  427.267  136.220  223.044   13.713  172.150   32.886 50.89445 35.63085 
1 1 1   17   27   25 o  243.803   12.936  759.943   78.478  873.480   91.737  450.119  151.543  260.845   14.136  173.881   36.083 86.96393 38.75299 
1 1 1   17   27   26 o   92.908   14.312  113.098   32.140   95.349   34.321  239.575   91.616   84.418   16.871  129.236   29.090 -44.81818 33.62817 
1 1 1   17   27   27 o  194.678   12.726  486.148   61.526  541.441   69.969  297.598  129.205  205.048   13.744  138.894   36.700 66.15440 39.18950 
1 1 1   17   27   28 o  206.765   22.249  579.412  113.068  579.412  113.068   0.0000   0.0000  206.765   22.249  ?   ?  0.000000 22.24864 
1 1 1   17   27   29 o  203.598   12.480  532.724   63.143  599.807   72.652  325.590  127.663  215.533   13.568  144.631   35.589 70.90205 38.08794 
1 1 1   17   27   30 o  181.952   11.884  425.362   53.699  441.298   61.963  377.285  107.627  184.579   13.538  161.828   27.624 22.75148 30.76310 
1 1 1   17   27   31 o  219.154   12.100  617.962   65.963  662.163   78.097  507.936  123.215  225.814   13.917  188.033   27.017 37.78038 30.39089 
1 1 1   17   27   32 o   87.451   14.094  101.460   29.733   90.266   34.023  137.636   61.165   81.269   17.296   97.284   25.032 -16.01432 30.42612 
1 1 1   17   27   33 o  191.977   20.999  506.989   99.029   0.0000   0.0000  506.989   99.029  ?   ?   191.977   20.999 0.000000 20.99922 
1 1 1   17   28    0 o   80.315   23.387   91.765   49.755   84.307   54.567  128.547  121.179   77.366   24.880   94.192   36.356 -16.82596 44.05453 
1 1 1   17   28    1 o   43.233   19.079  -7.0016   40.297  -2.4466   43.073 -38.9724  114.112   45.838   19.990   65.981   30.310 -20.14280 36.30819 
1 1 1   17   28    2 o  217.982   18.405  631.068   99.251  748.698  124.917  429.662  163.455  235.038   21.522  161.555   40.572 73.48361 45.92711 
1 1 1   17   28    3 o  118.600   37.378  221.613  123.633   0.0000   0.0000  221.613  123.633  ?   ?   118.600   37.378 0.000000 37.37794 
1 1 1   17   28    4 o   86.124   23.185  103.524   50.970   76.405   56.986  212.002  113.972   75.733   25.479  117.534   35.692 -41.80111 43.85337 
1 1 1   17   28    5 o  123.478   20.399  205.892   60.704  252.042   71.092   81.678  116.632  136.302   21.607   87.334   35.055 48.96732 41.17906 
1 1 1   17   28    6 o   72.092   23.675   68.481   49.270   93.475   55.475 -24.8781  107.214   82.364   24.877   67.352   30.322 15.01189 39.22098 
1 1 1   17   28    7 o  144.520   12.754  268.190   45.556  275.462   48.778  218.527  127.470  146.238   13.510  119.981   37.968 26.25710 40.30037 
1 1 1   17   28    8 o  195.918   21.893  512.918  105.281  512.918  105.281   0.0000   0.0000  195.918   21.893  ?   ?  0.000000 21.89348 
1 1 1   17   28    9 o   87.128   15.598  100.258   32.691   95.218   34.175  154.543  112.156   84.537   16.781  104.437   35.741 -19.90062 39.48484 
1 1 1   17   28   10 o  192.936   31.584  527.780  146.904   0.0000   0.0000  527.780  146.904  ?   ?   192.936   31.584 0.000000 31.58384 
1 1 1   17   28   11 o   28.977   13.208 -12.9664   21.118 -12.9664   21.118   0.0000   0.0000   28.977   13.208  ?   ?  0.000000 13.20823 
1 1 1   17   28   12 o   52.383   16.995   34.507   25.417   30.946   26.214   90.460  103.916   50.692   17.280   88.473   33.788 -37.78120 37.94989 
1 1 1   17   28   13 o  189.068   16.876  463.771   78.842  534.734   95.187  308.696  140.712  202.094   19.087  143.148   38.518 58.94624 42.98771 
1 1 1   17   28   14 o  108.240   13.528  151.402   35.766  142.858   37.671  229.516  113.908  104.745   14.815  125.114   35.056 -20.36958 38.05770 
1 1 1   17   28   15 o  183.788   12.688  431.148   57.877  465.738   64.337  284.379  132.526  190.749   13.596  138.035   37.481 52.71384 39.87065 
1 1 1   17   28   16 o  261.025   12.898  866.318   84.072  856.724   96.258  897.178  172.633  258.364   14.984  256.586   27.365 1.778381 31.19847 
1 1 1   17   28   17 o  229.641   12.490  671.717   71.357  670.730   80.503  675.335  154.138  228.832   14.157  221.457   28.536 7.375229 31.85489 
1 1 1   17   28   18 o   52.587   21.995   10.532   48.365   10.532   48.365   0.0000   0.0000   52.587   21.995  ?   ?  0.000000 21.99516 
1 1 1   17   28   19 o   77.699   15.880   80.188   29.772   76.799   30.955  121.997  108.734   75.809   16.794   96.485   34.995 -20.67621 38.81638 
1 1 1   17   28   20 o   90.501   14.492  107.199   31.646  101.028   33.008  177.356  111.295   87.473   15.687  110.535   35.531 -23.06174 38.84002 
1 1 1   17   28   21 o   67.205   16.582   60.501   27.658   58.689   28.605   86.520  108.388   66.164   17.166   87.957   34.262 -21.79295 38.32183 
1 1 1   17   28   22 o  168.403   11.986  362.201   50.077  341.577   54.337  478.456  129.008  163.033   13.467  184.773   28.907 -21.73949 31.89010 
1 1 1   17   28   23 o   93.919   17.873  118.102   40.386  121.394   43.594   98.168  107.265   94.862   19.064   89.849   34.324 5.013313 39.26327 
1 1 1   17   28   24 o  197.588   12.205  499.187   59.926  508.121   66.857  462.673  135.164  198.818   13.547  179.148   31.356 19.67014 34.15676 
1 1 1   17   28   25 o  268.196   12.745  919.147   85.356  960.568   99.102  800.122  167.992  272.850   14.598  238.161   28.834 34.68825 32.31861 
1 1 1   17   28   26 o  162.321   11.451  337.112   46.120  322.809   50.787  404.381  110.140  158.288   12.962  169.435   26.932 -11.14650 29.88921 
1 1 1   17   28   27 o   82.313   16.393   91.033   32.512  103.234   34.317 -15.8984  101.592   87.836   16.244   66.097   29.657 21.73889 33.81407 
1 1 1   17   28   28 o  125.683   22.576  219.346   68.252  219.346   68.252   0.0000   0.0000  125.683   22.576  ?   ?  0.000000 22.57629 
1 1 1   17   28   29 o  121.077   13.138  190.804   39.085  214.537   42.782   70.998   96.122  128.297   13.559   79.626   31.872 48.67133 34.63618 
1 1 1   17   28   30 o  172.841   11.872  384.857   50.931  402.233   57.533  321.918  109.498  176.096   13.179  145.713   31.043 30.38268 33.72433 
1 1 1   17   28   31 o   74.658   15.498   75.404   27.948   65.060   30.158  138.320   74.377   68.770   17.514   95.851   28.772 -27.08048 33.68329 
1 1 1   17   28   32 o   57.578   24.194   19.449   58.938   0.0000   0.0000   19.449   58.938  ?   ?    57.578   24.194 0.000000 24.19353 
1 1 1   17   29    0 o  285.770   21.369  1137.45  151.387  1365.56  193.208  774.687  243.648  306.753   25.452  193.367   50.065 113.3864 56.16300 
1 1 1   17   29    1 o   46.961   20.154   4.6643   42.402 -12.1184   45.278  124.321  120.899   44.259   19.833   91.586   36.036 -47.32680 41.13354 
1 1 1   17   29    2 o  162.819   19.099  359.930   76.178  448.610   90.657  146.895  140.513  180.960   20.419   98.052   38.764 82.90804 43.81285 
1 1 1   17   29    3 o  170.865   17.903  390.734   75.254  391.554   88.707  388.629  142.139  168.591   21.565  154.337   37.295 14.25439 43.08110 
1 1 1   17   29    4 o  137.937   37.519  310.015  132.662   0.0000   0.0000  310.015  132.662  ?   ?   137.937   37.519 0.000000 37.51941 
1 1 1   17   29    5 o   90.588   22.858  115.742   51.708  109.449   57.666  141.558  116.805   87.570   25.085   98.229   36.173 -10.65865 44.01962 
1 1 1   17   29    6 f  147.817   19.351  293.489   69.715  383.928   82.459   66.826  130.542  168.994   19.923   85.818   36.030 83.17585 41.17119 
1 1 1   17   29    7 f  110.882   21.295  168.847   56.822  210.725   65.193   36.466  115.908  123.901   21.870   78.273   33.449 45.62834 39.96413 
1 1 1   17   29    8 o  205.292   13.215  542.059   67.388  565.574   74.742  439.894  155.790  209.150   14.398  168.088   38.007 41.06203 40.64262 
1 1 1   17   29   10 o   91.859   15.387  111.485   34.048  121.677   35.514  -4.3912  119.749   96.079   15.316   73.638   32.672 22.44031 36.08421 
1 1 1   17   29   11 f   52.551   17.212   34.838   26.047   41.117   26.848 -65.7327  107.445   56.152   17.373   62.082   28.834 -5.929939 33.66337 
1 1 1   17   29   12 o  163.707   12.332  343.230   50.044  348.482   54.209  312.938  130.189  164.629   13.300  143.614   36.288 21.01440 38.64801 
1 1 1   17   29   13 f   59.858   17.013   47.694   26.631   50.198   27.470   8.5579  108.599   61.321   17.227   72.901   31.768 -11.57982 36.13850 
1 1 1   17   29   14 o  120.251   16.983  190.545   49.578  201.826   54.880  140.476  115.614  123.288   18.388  100.614   36.141 22.67323 40.55028 
1 1 1   17   29   15 o   93.159   14.518  113.721   32.674  119.391   34.153   52.452  112.269   95.411   14.815   81.499   33.750 13.91217 36.85838 
1 1 1   17   29   16 f   91.623   14.258  109.902   31.562  104.636   32.976  167.352  108.921   89.029   15.389  107.099   35.202 -18.07020 38.41905 
1 1 1   17   29   17 o  130.135   13.069  218.164   41.895  214.492   44.818  243.594  117.943  128.674   14.184  127.140   35.688 1.534172 38.40322 
1 1 1   17   29   18 f   85.021   15.626   95.820   31.953  108.401   33.355 -44.4952  111.388   90.664   15.275   66.100   30.209 24.56441 33.85135 
1 1 1   17   29   19 o   61.991   23.040   42.443   47.598   42.443   47.598   0.0000   0.0000   61.991   23.040  ?   ?  0.000000 23.04047 
1 1 1   17   29   20 o  185.647   12.447  441.294   57.372  447.522   63.111  411.652  137.687  186.495   13.646  166.666   34.228 19.82921 36.84801 
1 1 1   17   29   21 o  111.888   13.233  162.204   36.258  164.128   38.080  143.540  118.616  112.364   13.865  100.876   36.557 11.48764 39.09803 
1 1 1   17   29   22 f  166.029   12.117  353.260   49.893  367.207   53.927  270.383  131.458  169.015   12.874  131.436   37.940 37.57892 40.06479 
1 1 1   17   29   23 f   49.148   16.604   29.705   24.202   27.738   24.795   69.375  111.341   48.277   16.790   83.511   33.988 -35.23428 37.90930 
1 1 1   17   29   24 o  104.640   17.271  146.320   43.555  148.531   47.194  133.616  113.121  104.887   18.704   97.162   35.625 7.724899 40.23674 
1 1 1   17   29   25 o  187.741   11.922  452.060   55.604  466.279   61.247  385.387  132.622  190.224   12.971  158.861   34.425 31.36295 36.78762 
1 1 1   17   29   26 o  228.783   11.543  670.195   65.735  634.283   73.823  807.668  144.439  221.597   13.404  241.449   24.285 -19.85275 27.73853 
1 1 1   17   29   27 o  112.785   13.411  166.100   37.031  178.165   39.183   65.245  113.285  116.753   13.700   81.560   33.849 35.19279 36.51654 
1 1 1   17   29   28 o  122.163   21.296  206.921   62.604  206.921   62.604   0.0000   0.0000  122.163   21.296  ?   ?  0.000000 21.29597 
1 1 1   17   29   29 o  138.149   12.450  247.577   42.490  276.261   46.226   91.342  107.883  145.826   12.824   84.846   33.832 60.98059 36.18098 
1 1 1   17   29   30 o  139.604   12.062  252.556   41.636  263.272   45.588  198.659  102.239  142.150   12.986  110.989   33.828 31.16042 36.23455 
1 1 1   17   29   31 o   94.172   30.908  137.141   83.981   0.0000   0.0000  137.141   83.981  ?   ?    94.172   30.908 0.000000 30.90831 
1 1 1   17   29   32 o   70.750   27.892   58.527   72.558   0.0000   0.0000   58.527   72.558  ?   ?    70.750   27.892 0.000000 27.89204 
1 1 1   17   30    0 o  141.517   20.344  284.866   69.829  360.342   79.584   32.382  145.559  159.228   20.490   76.069   34.675 83.15950 40.27657 
1 1 1   17   30    1 o  179.904   21.707  461.287   95.549  461.287   95.549   0.0000   0.0000  179.904   21.707  ?   ?  0.000000 21.70703 
1 1 1   17   30    2 o   68.523   22.580   66.223   44.805   81.296   47.941 -37.8271  125.961   74.796   23.228   66.527   31.005 8.268524 38.74092 
1 1 1   17   30    3 o   93.742   22.230  126.913   51.251  139.577   55.992   61.495  127.261   97.839   23.259   80.320   34.696 17.51924 41.77021 
1 1 1   17   30    4 o   67.950   22.708   63.394   45.260   63.309   48.819   63.911  120.760   68.315   23.571   80.472   34.259 -12.15702 41.58482 
1 1 1   17   30    5 o   74.672   32.666   29.304  115.816   0.0000   0.0000   29.304  115.816  ?   ?    74.672   32.666 0.000000 32.66587 
1 1 1   17   30    6 o   73.141   23.576   74.432   48.974   85.688   54.239   24.752  113.948   77.774   24.784   74.047   32.397 3.726761 40.78937 
1 1 1   17   30    7 o  206.578   18.305  570.576   93.451  669.636  116.082  388.139  157.534  221.433   21.254  150.684   40.843 70.74854 46.04250 
1 1 1   17   30    8 o  111.477   37.798  200.857  125.420   0.0000   0.0000  200.857  125.420  ?   ?   111.477   37.798 0.000000 37.79761 
1 1 1   17   30    9 o   68.108   22.637   61.782   44.995   71.628   48.526   1.4138  120.156   72.472   23.479   73.094   32.563 -0.6219177 40.14456 
1 1 1   17   30   10 o   66.012   23.231   55.136   47.534   55.136   47.534   0.0000   0.0000   66.012   23.231  ?   ?  0.000000 23.23104 
1 1 1   17   30   11 o   64.534   16.939   56.416   27.643   59.059   28.455   12.115  116.514   65.979   17.122   74.205   32.605 -8.226097 36.82738 
1 1 1   17   30   12 o  122.774   13.125  195.421   39.616  203.501   41.916  127.815  121.250  125.133   13.635   96.278   36.562 28.85432 39.02127 
1 1 1   17   30   13 o  144.654   12.476  269.515   44.626  266.333   47.629  292.393  127.708  143.436   13.454  136.560   36.674 6.876434 39.06384 
1 1 1   17   30   14 o  124.996   12.938  202.123   39.801  206.766   42.132  163.609  121.342  126.219   13.581  104.658   37.086 21.56078 39.49438 
1 1 1   17   30   15 o  108.912   17.584  158.497   46.194  168.921   50.235  101.418  117.554  112.099   18.597   90.712   35.585 21.38673 40.15141 
1 1 1   17   30   16 o   99.150   13.847  128.570   33.349  132.559   34.816   84.221  116.101  100.571   14.263   87.076   34.966 13.49514 37.76329 
1 1 1   17   30   17 o  176.093   12.352  398.101   53.975  411.785   58.887  326.202  134.980  178.727   13.289  144.295   37.217 34.43146 39.51816 
1 1 1   17   30   18 o   38.885   15.207   12.449   21.417   14.595   21.853 -39.7860  107.816   40.181   15.459   64.867   29.674 -24.68668 33.45923 
1 1 1   17   30   19 o   77.908   15.770   81.315   29.629   81.315   29.629   0.0000   0.0000   77.908   15.770  ?   ?  0.000000 15.77049 
1 1 1   17   30   20 o  193.255   12.996  480.938   62.351  515.563   68.776  321.148  147.747  199.700   13.878  140.188   40.151 59.51149 42.48195 
1 1 1   17   30   21 o  149.242   12.000  286.378   44.345  268.182   47.145  426.088  130.636  143.931   13.266  169.324   32.070 -25.39250 34.70509 
1 1 1   17   30   22 o  205.632   12.762  544.397   65.212  550.494   71.964  516.407  154.194  206.123   14.065  183.804   34.870 22.31834 37.59945 
1 1 1   17   30   23 o  128.876   12.369  214.704   39.319  198.684   41.296  370.035  128.593  123.486   13.618  155.091   34.129 -31.60494 36.74577 
1 1 1   17   30   24 o   84.578   18.727   98.239   38.509  110.436   40.817  -0.5410  116.160   89.752   18.813   71.633   31.956 18.11966 37.08286 
1 1 1   17   30   25 o   87.908   13.735  102.031   29.164   94.197   30.154  215.596  114.811   84.000   14.922  115.653   35.951 -31.65269 38.92452 
1 1 1   17   30   26 o  181.602   11.882  424.913   53.586  419.882   58.434  451.513  134.354  179.926   13.095  171.622   32.540 8.303986 35.07615 
1 1 1   17   30   27 o   72.748   15.694   71.814   27.674   70.937   28.514   86.060  114.888   72.138   16.222   84.544   34.480 -12.40530 38.10545 
1 1 1   17   30   28 o  151.399   19.510  313.376   72.047  313.376   72.047   0.0000   0.0000  151.399   19.510  ?   ?  0.000000 19.51044 
1 1 1   17   30   29 o  172.243   12.358  384.882   52.799  417.134   57.971  227.937  127.881  178.959   13.062  114.591   38.166 64.36788 40.33951 
1 1 1   17   30   30 o   51.509   16.078   35.245   22.936   40.082   23.675 -38.5862   92.497   54.472   16.206   58.282   26.958 -3.810368 31.45405 
1 1 1   17   30   31 o   62.304   27.732   1.4505   86.953   0.0000   0.0000   1.4505   86.953  ?   ?    62.304   27.732 0.000000 27.73225 
1 1 1   17   31    0 o   38.013   17.188 -10.7597   34.885 -18.8318   36.173   96.517  131.871   36.891   16.991   79.442   34.802 -42.55084 38.72794 
1 1 1   17   31    1 o   63.817   21.943   58.478   42.290   66.555   44.681 -10.9839  131.023   67.221   22.561   67.313   31.455 -0.9259033E-01 38.70986 
1 1 1   17   31    2 o   41.497   18.380  -4.2247   37.736  -4.2247   37.736   0.0000   0.0000   41.497   18.380  ?   ?  0.000000 18.37979 
1 1 1   17   31    3 o   86.798   22.078  111.579   47.967  116.528   51.582   79.935  130.427   88.121   23.143   80.544   34.958 7.577377 41.92437 
1 1 1   17   31    4 o  100.890   21.499  147.517   52.508  150.965   57.007  128.230  134.845  101.055   23.095   89.650   37.046 11.40498 43.65470 
1 1 1   17   31    5 o  143.854   18.828  285.878   66.013  304.561   74.700  219.281  141.038  146.932   20.952  107.985   39.751 38.94736 44.93467 
1 1 1   17   31    6 o   93.858   22.104  127.414   50.952  114.419   55.691  194.175  126.231   87.782   24.482  104.966   37.758 -17.18399 45.00051 
1 1 1   17   31    7 f   94.330   36.856  140.114  125.710   0.0000   0.0000  140.114  125.710  ?   ?    94.330   36.856 0.000000 36.85578 
1 1 1   17   31    8 o   94.977   21.783  128.706   50.564  134.587   55.311   98.793  124.746   96.427   23.243   87.087   35.770 9.339790 42.65801 
1 1 1   17   31    9 o  158.827   18.999  343.061   73.857  430.283   86.669  111.736  141.145  177.381   19.910   91.512   37.865 85.86948 42.78037 
1 1 1   17   31   10 o  157.333   18.700  335.040   72.032  418.354   84.796  119.083  136.521  175.271   19.716   92.884   37.699 82.38748 42.54310 
1 1 1   17   31   11 o  169.317   20.865  393.416   86.354  393.416   86.354   0.0000   0.0000  169.317   20.865  ?   ?  0.000000 20.86508 
1 1 1   17   31   12 o   97.978   14.224  126.845   33.784  138.690   35.139 -17.9210  122.845  102.578   14.090   70.429   32.007 32.14908 34.97141 
1 1 1   17   31   13 o   79.363   15.327   84.616   29.275   77.666   30.159  198.055  121.838   75.615   16.441  110.403   37.255 -34.78793 40.72116 
1 1 1   17   31   14 o   97.717   14.252  126.035   33.755  142.990   35.189 -69.3473  119.456  104.339   13.848   63.824   29.892 40.51559 32.94345 
1 1 1   17   31   15 o  268.707   14.165  937.448   94.713  974.654  108.335  816.777  195.102  272.587   15.985  229.875   35.100 42.71181 38.56898 
1 1 1   17   31   16 o   73.028   18.605   73.440   34.025   66.055   35.495  157.078  119.451   69.260   19.626  101.149   36.681 -31.88884 41.60134 
1 1 1   17   31   17 o   67.472   16.025   61.759   26.600   63.761   27.321   25.313  116.570   68.524   16.218   75.417   32.888 -6.892830 36.66914 
1 1 1   17   31   18 o   86.114   14.615   98.584   30.305   97.354   31.382  115.609  116.717   85.335   15.288   91.823   35.614 -6.487976 38.75639 
1 1 1   17   31   19 o   90.943   14.372  109.534   31.554  107.296   32.746  138.602  118.020   89.715   15.156   96.783   36.220 -7.068588 39.26301 
1 1 1   17   31   20 o  150.630   20.768  310.630   76.042  310.630   76.042   0.0000   0.0000  150.630   20.768  ?   ?  0.000000 20.76809 
1 1 1   17   31   21 o   33.901   14.163   3.8902   20.018   6.5232   20.327 -80.8125  115.292   35.275   14.458   61.275   28.906 -25.99966 32.32019 
1 1 1   17   31   22 o   95.059   13.743  119.152   31.677  110.883   32.718  242.937  126.581   91.236   14.873  120.609   37.791 -29.37320 40.61229 
1 1 1   17   31   23 o  214.393   12.539  594.100   66.838  584.195   73.297  642.988  162.835  211.750   13.939  204.360   33.035 7.389252 35.85569 
1 1 1   17   31   24 f   34.259   13.973   6.6516   18.871   9.4652   19.116 -101.2371  118.371   35.778   14.249   59.698   28.486 -23.92061 31.85080 
1 1 1   17   31   25 o   75.949   18.653   80.273   35.120   76.789   36.601  120.739  124.732   74.063   19.516   91.641   36.429 -17.57863 41.32760 
1 1 1   17   31   26 o   97.800   13.022  125.873   31.012  126.047   32.068  123.363  121.863   97.684   13.507   91.509   36.124 6.175598 38.56705 
1 1 1   17   31   27 o  171.383   12.269  381.298   52.160  387.261   55.921  341.395  144.666  172.270   13.097  138.279   39.767 33.99078 41.86853 
1 1 1   17   31   28 o   74.246   14.767   74.633   26.416   77.275   27.111   25.094  117.398   75.530   14.903   73.275   32.438 2.254944 35.69806 
1 1 1   17   31   29 o   89.102   19.233  111.544   41.539  111.544   41.539   0.0000   0.0000   89.102   19.233  ?   ?  0.000000 19.23264 
1 1 1   17   31   30 o   83.528   33.686   96.735  108.263   0.0000   0.0000   96.735  108.263  ?   ?    83.528   33.686 0.000000 33.68647 
1 1 1   17   32    0 o  145.342   20.231  314.694   71.436  360.808   79.758  127.652  160.631  154.504   21.233   80.171   36.499 74.33369 42.22550 
1 1 1   17   32    1 o   53.340   20.643   35.177   39.150   38.633   40.879  -3.1219  136.067   54.968   21.144   66.280   31.309 -11.31149 37.77963 
1 1 1   17   32    2 o  123.574   20.016  223.689   59.655  230.822   65.206  187.058  147.760  123.845   21.885   91.669   38.401 32.17641 44.19966 
1 1 1   17   32    3 o  100.039   22.418  152.056   54.616  152.056   54.616   0.0000   0.0000  100.039   22.418  ?   ?  0.000000 22.41772 
1 1 1   17   32    4 o  100.042   21.425  148.549   51.912  171.185   56.153   15.443  136.165  107.393   21.686   70.926   32.771 36.46716 39.29654 
1 1 1   17   32    5 o   77.125   22.432   89.389   45.799   97.953   48.918   28.568  130.363   80.324   23.132   72.420   32.935 7.904099 40.24695 
1 1 1   17   32    6 o   62.110   29.468 -59.7018  123.073   0.0000   0.0000 -59.7018  123.073  ?   ?    62.110   29.468 0.000000 29.46792 
1 1 1   17   32    7 o  179.677   18.638  447.234   82.410  502.728   97.290  306.280  155.054  188.089   21.076  121.481   42.003 66.60784 46.99380 
1 1 1   17   32    8 o   64.136   29.977 -39.8560  119.096   0.0000   0.0000 -39.8560  119.096  ?   ?    64.136   29.977 0.000000 29.97696 
1 1 1   17   32    9 o  110.770   20.121  173.287   53.608  186.591   59.237  113.099  125.997  114.085   21.583   87.475   35.941 26.60994 41.92409 
1 1 1   17   32   10 o   84.929   22.118  104.869   47.374  128.238   51.429 -26.0528  121.726   93.969   22.259   67.040   30.979 26.92892 38.14669 
1 1 1   17   32   11 o   53.690   20.386   32.023   37.692   30.967   39.857   40.962  115.946   53.987   20.847   75.126   32.779 -21.13900 38.84657 
1 1 1   17   32   12 f  130.152   21.091  237.924   66.203  237.924   66.203   0.0000   0.0000  130.152   21.091  ?   ?  0.000000 21.09083 
1 1 1   17   32   13 o   49.518   16.468   31.511   23.812   30.667   24.296   52.033  119.814   49.171   16.636   78.119   33.705 -28.94767 37.58722 
1 1 1   17   32   14 o  133.954   12.758  234.207   42.160  235.645   44.423  221.159  133.798  134.049   13.452  112.064   39.002 21.98558 41.25686 
1 1 1   17   32   15 o  235.685   14.594  729.139   85.470  872.661   96.688  216.040  182.816  257.468   15.104  109.020   43.842 148.4483 46.37122 
1 1 1   17   32   16 o  174.500   12.588  395.423   54.487  399.040   58.869  373.804  143.913  174.745   13.598  147.454   38.623 27.29086 40.94686 
1 1 1   17   32   17 o   77.682   19.262   84.476   37.182   97.897   39.049 -45.9046  121.711   83.763   19.093   65.915   30.639 17.84837 36.10084 
1 1 1   17   32   18 o  195.146   12.880  494.863   62.412  518.547   68.280  374.573  153.880  199.202   13.811  144.984   40.788 54.21822 43.06272 
1 1 1   17   32   19 o   87.199   13.982  101.195   29.417  106.602   30.362   18.377  118.829   89.520   14.044   73.300   32.533 16.21996 35.43518 
1 1 1   17   32   20 f  106.770   13.046  149.698   34.060  156.842   35.405   60.949  124.783  109.239   13.250   80.710   34.604 28.52883 37.05366 
1 1 1   17   32   21 o   81.853   21.856   96.034   45.515   96.034   45.515   0.0000   0.0000   81.853   21.856  ?   ?  0.000000 21.85632 
1 1 1   17   32   22 o   30.276   13.104  -1.2006   18.224   0.9440   18.441 -90.6215  119.078   31.331   13.364   60.304   28.718 -28.97270 31.67537 
1 1 1   17   32   23 o   53.118   15.779   38.039   22.457   34.093   22.816  160.486  127.095   50.782   16.063   98.466   37.423 -47.68385 40.72445 
1 1 1   17   32   24 o   96.087   13.065  121.939   30.537  124.524   31.349   74.005  134.983   97.029   13.287   83.257   35.849 13.77142 38.23228 
1 1 1   17   32   25 o   43.243   16.608   18.479   25.195   22.086   25.752 -62.1141  121.728   45.175   16.916   63.348   29.829 -18.17368 34.29155 
1 1 1   17   32   26 o   80.991   13.769   87.869   26.850   89.495   27.446   51.651  129.543   81.682   13.957   78.611   34.464 3.070610 37.18303 
1 1 1   17   32   27 o  202.917   12.408  536.473   62.574  514.108   67.496  673.247  166.917  197.690   13.758  202.832   34.169 -5.142853 36.83456 
1 1 1   17   32   28 o   30.376   12.982   0.7572   17.464   0.8511   17.634  -4.0330  125.903   30.554   13.052   70.114   32.071 -39.55988 34.62534 
1 1 1   17   32   30 o  106.609   37.680  210.163  125.184   0.0000   0.0000  210.163  125.184  ?   ?   106.609   37.680 0.000000 37.68013 
1 1 1   17   33    0 o   50.310   25.240 -205.6735  137.781   0.0000   0.0000 -205.6735  137.781  ?   ?    50.310   25.240 0.000000 25.23988 
1 1 1   17   33    1 o   71.701   22.078   82.744   43.417   79.086   45.366  122.588  149.720   69.828   22.707   77.010   35.128 -7.182289 41.82841 
1 1 1   17   33    2 f   44.388   18.786   13.039   35.951   4.5605   37.141  138.933  143.124   42.439   18.534   80.431   35.701 -37.99237 40.22532 
1 1 1   17   33    3 o   53.053   20.468   35.579   38.393   45.014   39.975 -76.6089  137.845   56.909   21.122   59.730   29.049 -2.821651 35.91630 
1 1 1   17   33    4 o   57.858   21.368   46.397   40.809   46.397   40.809   0.0000   0.0000   57.858   21.368  ?   ?  0.000000 21.36781 
1 1 1   17   33    5 f   57.677   28.105 -103.6918  130.781   0.0000   0.0000 -103.6918  130.781  ?   ?    57.677   28.105 0.000000 28.10475 
1 1 1   17   33    6 o  120.538   20.719  213.872   60.117  263.654   66.432 -11.2718  141.276  134.286   20.457   67.839   32.001 66.44723 37.98108 
1 1 1   17   33    7 o   80.183   22.279   97.923   46.211  115.955   49.173 -38.3314  135.173   87.226   22.445   65.006   30.854 22.21989 38.15387 
1 1 1   17   33    8 o   49.539   19.741   24.323   36.710   18.635   38.250   90.687  130.655   48.181   19.800   80.110   34.879 -31.92941 40.10750 
1 1 1   17   33    9 o   63.121   29.608 -33.4328  117.975   0.0000   0.0000 -33.4328  117.975  ?   ?    63.121   29.608 0.000000 29.60833 
1 1 1   17   33   10 o   84.077   21.618  104.692   45.641  117.975   48.941   16.015  126.450   89.050   22.110   70.837   32.301 18.21273 39.14349 
1 1 1   17   33   11 o   63.131   21.147   55.886   39.254   56.883   41.380   46.916  124.077   63.742   21.710   74.956   33.257 -11.21440 39.71638 
1 1 1   17   33   12 o  142.173   18.220  279.927   63.198  293.162   70.861  228.466  139.721  143.923   20.278  107.733   39.579 36.18925 44.47141 
1 1 1   17   33   13 o   72.607   21.957   76.777   43.197   76.777   43.197   0.0000   0.0000   72.607   21.957  ?   ?  0.000000 21.95686 
1 1 1   17   33   14 o  105.785   13.545  148.821   34.960  157.143   36.247   37.825  132.374  108.689   13.656   76.044   34.005 32.64499 36.64482 
1 1 1   17   33   15 o  174.459   13.184  399.956   57.012  439.260   61.673  169.044  149.485  182.564   13.626   97.443   39.483 85.12093 41.76842 
1 1 1   17   33   16 o  198.919   13.426  520.008   66.300  571.300   72.744  268.366  161.124  208.018   14.087  115.066   42.466 92.95187 44.74131 
1 1 1   17   33   17 o  181.399   12.586  429.991   56.659  422.418   60.895  478.821  154.629  179.041   13.724  164.384   38.368 14.65733 40.74855 
1 1 1   17   33   18 o  174.795   12.789  399.875   55.435  425.770   59.775  240.746  148.178  179.997   13.395  111.559   40.793 68.43793 42.93587 
1 1 1   17   33   19 o  110.438   12.517  160.358   33.910  150.671   35.028  304.866  135.292  106.602   13.458  128.597   38.851 -21.99542 41.11596 
1 1 1   17   33   20 o  129.010   12.303  217.883   39.157  212.814   40.933  272.509  134.360  127.111   13.083  120.814   39.061 6.297104 41.19361 
1 1 1   17   33   21 o   93.513   13.383  116.361   30.362  116.043   31.236  121.816  129.204   93.189   13.844   89.095   36.477 4.093254 39.01543 
1 1 1   17   33   22 o   41.188   17.257   7.7317   29.845   7.7317   29.845   0.0000   0.0000   41.188   17.257  ?   ?  0.000000 17.25661 
1 1 1   17   33   23 o  115.676   12.588  176.073   35.776  181.063   37.084  109.055  135.907  117.180   12.886   87.021   36.661 30.15895 38.85945 
1 1 1   17   33   24 o   87.819   13.104  102.733   27.857   96.810   28.436  243.874  138.806   84.881   13.897  112.423   39.683 -27.54173 42.04631 
1 1 1   17   33   25 o   66.109   14.454   59.744   23.197   56.676   23.541  162.359  136.144   64.205   14.960   95.743   38.060 -31.53811 40.89420 
1 1 1   17   33   26 o   33.686   14.561  -0.2652   22.446  -1.5446   22.776   42.921  132.324   33.459   14.565   76.345   34.079 -42.88625 37.06141 
1 1 1   17   33   27 o  106.670   12.289  149.955   32.137  144.553   33.003  248.902  141.252  104.421   12.933  112.087   39.982 -7.665947 42.02129 
1 1 1   17   33   28 f   73.041   19.930   76.963   37.363   74.708   38.724  107.376  142.195   71.818   20.551   85.968   36.901 -14.15014 42.23780 
1 1 1   17   33   29 o   90.383   37.437  138.911  138.181   0.0000   0.0000  138.911  138.181  ?   ?    90.383   37.437 0.000000 37.43697 
1 1 1   17   34    0 o   48.007   19.574   27.273   37.015   32.087   38.141 -50.6368  153.444   49.894   20.039   58.561   28.915 -8.667404 35.17986 
1 1 1   17   34    1 o   58.884   21.816   54.403   42.604   59.969   44.367 -11.4797  152.637   60.980   22.318   62.051   30.264 -1.070850 37.60284 
1 1 1   17   34    2 o   78.135   22.469  101.380   46.184  100.951   48.413  105.712  153.957   77.274   23.217   72.748   34.028 4.525833 41.19398 
1 1 1   17   34    3 o   70.599   21.590   80.296   41.599   63.088   43.220  296.898  153.340   63.131   22.156   99.281   40.073 -36.15027 45.78987 
1 1 1   17   34    4 o   65.929   31.483   10.276  145.165   0.0000   0.0000   10.276  145.165  ?   ?    65.929   31.483 0.000000 31.48289 
1 1 1   17   34    5 o   40.976   17.879   3.6835   34.496   3.6835   34.496   0.0000   0.0000   40.976   17.879  ?   ?  0.000000 17.87893 
1 1 1   17   34    6 o   44.721   18.555   15.964   34.029   17.032   34.990  -2.6954  146.224   45.451   18.833   66.586   31.741 -21.13422 36.90791 
1 1 1   17   34    7 o   58.377   20.920   48.618   38.714   53.628   40.370  -8.7276  136.580   60.565   21.399   65.546   31.082 -4.981255 37.73582 
1 1 1   17   34    8 o   91.882   20.914  127.727   46.910  118.011   49.778  204.829  140.221   86.854   22.698   94.247   38.222 -7.392662 44.45387 
1 1 1   17   34    9 o  130.471   19.068  245.673   60.290  254.408   66.284  203.817  145.092  131.046   20.961   94.727   38.704 36.31953 44.01547 
1 1 1   17   34   10 o   48.530   24.211 -209.6762  118.929   0.0000   0.0000 -209.6762  118.929  ?   ?    48.530   24.211 0.000000 24.21131 
1 1 1   17   34   11 o  138.229   19.022  272.894   63.920  303.282   71.205  146.769  145.064  144.623   20.273   87.606   37.428 57.01771 42.56618 
1 1 1   17   34   12 o   92.153   21.318  126.641   48.081  153.770   51.574 -53.5462  132.914  102.109   20.929   63.404   30.235 38.70550 36.77202 
1 1 1   17   34   13 o   47.009   18.834   20.521   33.602   29.458   34.873 -95.4481  125.624   50.838   19.535   58.610   28.319 -7.772129 34.40392 
1 1 1   17   34   14 o   66.401   21.348   64.256   40.176   64.256   40.176   0.0000   0.0000   66.401   21.348  ?   ?  0.000000 21.34801 
1 1 1   17   34   15 o   80.634   14.710   89.064   28.528   90.742   29.211   54.384  132.779   81.302   14.938   76.010   34.019 5.292007 37.15409 
1 1 1   17   34   16 o   80.904   14.824   89.666   28.845   95.756   29.563 -31.0954  131.648   83.738   14.672   66.302   31.157 17.43626 34.43875 
1 1 1   17   34   17 o   78.512   14.740   84.415   27.838   82.467   28.456  127.813  134.342   77.346   15.275   87.414   36.618 -10.06831 39.67587 
1 1 1   17   34   18 o  167.337   12.779  369.326   52.998  382.853   56.536  271.281  152.206  169.920   13.433  112.720   41.325 57.19987 43.45323 
1 1 1   17   34   19 o   58.226   15.923   47.209   23.818   49.430   24.214 -19.0872  132.290   59.535   15.961   67.982   31.714 -8.447723 35.50381 
1 1 1   17   34   20 o   95.914   13.013  122.717   30.363  119.869   31.110  179.881  139.359   94.522   13.569   96.820   38.501 -2.298264 40.82172 
1 1 1   17   34   21 o   95.473   13.164  121.774   30.549  126.579   31.350   31.313  136.019   97.328   13.243   74.284   33.729 23.04358 36.23531 
1 1 1   17   34   22 o   31.934   13.274   4.5250   17.462   5.0320   17.620 -23.3559  130.660   32.286   13.370   67.244   31.419 -34.95893 34.14576 
1 1 1   17   34   23 o   83.473   19.402  100.370   39.675   96.213   41.127  156.156  150.660   81.226   20.325   92.446   38.754 -11.22051 43.76093 
1 1 1   17   34   24 o   59.887   15.049   49.715   22.478   47.946   22.773  116.769  140.213   58.752   15.352   86.080   36.787 -27.32808 39.86221 
1 1 1   17   34   25 o   84.717   13.061   96.243   26.743   93.074   27.186  191.091  148.730   83.062   13.576   97.953   39.491 -14.89149 41.75906 
1 1 1   17   34   26 o   54.864   14.665   41.558   20.478   41.558   20.688   41.553  144.092   54.850   14.774   76.212   34.647 -21.36206 37.66528 
1 1 1   17   34   27 o   60.750   14.852   51.153   22.343   50.439   22.617   80.074  143.918   60.264   15.069   80.717   35.815 -20.45256 38.85617 
1 1 1   17   34   28 o  107.286   42.157  260.153  165.249   0.0000   0.0000  260.153  165.249  ?   ?   107.286   42.157 0.000000 42.15724 
1 1 1   17   35    0 o   39.984   17.471   8.7733   33.043   11.401   33.741 -52.7341  163.254   41.006   17.789   55.966   27.989 -14.95997 33.16391 
1 1 1   17   35    1 o   48.971   19.498   32.849   35.782   33.142   36.670   27.025  163.576   49.227   19.692   61.535   30.281 -12.30793 36.12093 
1 1 1   17   35    2 o   35.204   16.097  -8.9824   31.674  -4.5974   32.362 -108.8329  154.429   36.634   16.561   54.786   27.372 -18.15204 31.99221 
1 1 1   17   35    3 o   59.502   29.238 -33.4924  150.723   0.0000   0.0000 -33.4924  150.723  ?   ?    59.502   29.238 0.000000 29.23846 
1 1 1   17   35    4 o   53.024   20.297   39.865   37.554   48.456   38.732 -94.9445  153.431   56.463   20.824   57.164   28.348 -0.7007637 35.17490 
1 1 1   17   35    5 o   89.388   22.144  130.438   49.173  142.506   51.400   0.1634  168.877   93.400   22.339   65.220   31.814 28.18018 38.87376 
1 1 1   17   35    6 o   36.193   16.178  -3.9580   29.930   0.2374   30.537 -106.5098  150.974   37.701   16.624   57.649   28.505 -19.94880 32.99834 
1 1 1   17   35    7 o   65.080   21.378   66.671   40.172   74.898   41.617 -45.6965  153.809   68.502   21.697   62.460   30.445 6.041836 37.38484 
1 1 1   17   35    8 o   49.795   19.453   30.028   35.018   26.913   36.086   80.300  144.975   48.940   19.550   73.051   33.775 -24.11129 39.02494 
1 1 1   17   35    9 f  174.090   18.622  441.608   79.701  459.501   90.404  379.180  168.862  174.023   21.244  114.162   43.196 59.86078 48.13764 
1 1 1   17   35   10 o   39.035   17.006   2.2635   31.098   7.2985   31.950 -88.4169  135.589   41.017   17.546   58.459   28.514 -17.44197 33.47995 
1 1 1   17   35   11 o   75.568   34.256   84.602  139.599   0.0000   0.0000   84.602  139.599  ?   ?    75.568   34.256 0.000000 34.25637 
1 1 1   17   35   12 o   55.961   19.926   43.560   35.071   43.371   36.305   46.201  135.673   56.047   20.238   71.440   32.903 -15.39338 38.62918 
1 1 1   17   35   13 o   53.670   19.668   38.144   34.474   39.544   35.640   17.794  135.889   54.475   19.993   68.913   32.146 -14.43821 37.85614 
1 1 1   17   35   14 o   72.648   20.803   79.796   39.666   82.707   41.418   47.562  137.833   73.696   21.303   72.775   33.387 0.9211502 39.60435 
1 1 1   17   35   15 o   90.690   21.172  123.920   47.077  123.920   47.077   0.0000   0.0000   90.690   21.172  ?   ?  0.000000 21.17215 
1 1 1   17   35   16 o   69.546   15.479   67.964   26.190   72.965   26.657 -71.1658  140.607   72.218   15.259   62.601   30.176 9.617386 33.81490 
1 1 1   17   35   17 o   46.609   15.569   28.817   21.275   28.006   21.525   63.183  140.107   46.188   15.659   75.859   34.360 -29.67039 37.75963 
1 1 1   17   35   18 o   59.060   15.591   49.093   23.331   45.521   23.663  173.966  139.906   56.852   15.995   92.021   37.849 -35.16911 41.08956 
1 1 1   17   35   19 o   52.010   17.837   36.337   27.935   31.798   28.518  143.867  138.807   49.906   17.947   87.414   36.950 -37.50751 41.07815 
1 1 1   17   35   20 o   47.069   15.418   29.586   20.901   30.965   21.137 -30.9262  140.035   47.943   15.492   66.539   31.530 -18.59671 35.13017 
1 1 1   17   35   21 o  128.758   12.518  220.199   39.740  227.145   41.113  121.414  155.048  130.635   12.766   84.820   37.427 45.81518 39.54457 
1 1 1   17   35   22 o   35.233   13.816   11.090   17.716   11.955   17.861 -41.5151  139.261   35.782   13.917   65.595   31.186 -29.81266 34.15056 
1 1 1   17   35   23 o   56.777   15.130   45.026   21.840   45.026   21.840   0.0000   0.0000   56.777   15.130  ?   ?  0.000000 15.13001 
1 1 1   17   35   24 o   62.878   14.725   55.016   22.715   59.021   22.992 -108.2294  146.793   65.257   14.487   61.699   29.999 3.557980 33.31417 
1 1 1   17   35   25 o  125.754   12.062  209.231   37.413  211.177   38.478  175.528  160.126  126.160   12.373   92.139   39.343 34.02172 41.24277 
1 1 1   17   35   26 f   66.407   14.170   60.905   22.783   57.579   23.023  217.783  158.132   64.346   14.656   98.382   40.325 -34.03613 42.90587 
1 1 1   17   35   27 o  109.664   42.757  297.176  168.919   0.0000   0.0000  297.176  168.919  ?   ?   109.664   42.757 0.000000 42.75726 
1 1 1   17   36    0 o   53.816   20.832   51.881   39.874   51.881   39.874   0.0000   0.0000   53.816   20.832  ?   ?  0.000000 20.83184 
1 1 1   17   36    1 f   40.103   17.490   11.476   32.977   13.086   33.624 -29.1403  168.841   40.788   17.726   54.915   27.603 -14.12691 32.80486 
1 1 1   17   36    2 o   56.210   28.150 -30.6466  167.790   0.0000   0.0000 -30.6466  167.790  ?   ?    56.210   28.150 0.000000 28.14970 
1 1 1   17   36    3 o   50.198   19.773   37.065   36.437   33.981   37.292  102.035  171.159   49.221   19.799   64.762   31.685 -15.54087 37.36205 
1 1 1   17   36    4 o   61.229   30.308   12.449  172.400   0.0000   0.0000   12.449  172.400  ?   ?    61.229   30.308 0.000000 30.30794 
1 1 1   17   36    5 o   94.315   22.653  152.096   52.683  186.594   55.611 -149.8949  164.536  106.153   21.711   54.050   27.180 52.10289 34.78639 
1 1 1   17   36    6 o   71.767   21.723   86.865   42.266   90.826   43.943   37.913  154.473   73.001   22.161   64.342   31.165 8.659081 38.24074 
1 1 1   17   36    7 o   36.507   16.311  -2.5110   30.387   1.5790   31.024 -99.0623  150.736   37.974   16.750   56.366   27.977 -18.39119 32.60804 
1 1 1   17   36    8 o   56.479   20.594   48.108   37.728   48.108   37.728   0.0000   0.0000   56.479   20.594  ?   ?  0.000000 20.59431 
1 1 1   17   36    9 o   72.050   21.193   83.686   40.676   81.393   42.220  113.324  151.803   70.660   21.774   73.951   34.321 -3.291161 40.64550 
1 1 1   17   36   10 o   66.272   20.685   69.251   37.964   53.230   38.874  399.537  176.506   59.173   20.989  109.150   43.353 -49.97704 48.16593 
1 1 1   17   36   11 f   53.403   19.850   39.482   35.330   40.955   36.393   15.367  147.285   54.159   20.143   66.378   31.701 -12.21920 37.55969 
1 1 1   17   36   12 o   66.371   31.609   11.655  144.284   0.0000   0.0000   11.655  144.284  ?   ?    66.371   31.609 0.000000 31.60862 
1 1 1   17   36   13 o   85.479   20.737  112.922   43.813  116.248   45.927   79.282  146.071   86.198   21.429   73.559   33.972 12.63890 40.16560 
1 1 1   17   36   14 o   47.199   18.400   25.532   31.280   23.599   32.080   62.851  140.953   46.698   18.503   72.078   33.317 -25.37999 38.11033 
1 1 1   17   36   15 f   55.237   19.582   42.922   33.836   38.997   34.802  110.696  144.612   53.683   19.748   78.229   35.218 -24.54609 40.37701 
1 1 1   17   36   16 o   49.049   18.821   28.902   32.341   28.902   32.341   0.0000   0.0000   49.049   18.821  ?   ?  0.000000 18.82131 
1 1 1   17   36   17 o   87.792   14.218  106.436   30.106  117.465   30.714 -163.8358  152.046   92.614   13.693   57.173   28.329 35.44103 31.46506 
1 1 1   17   36   18 o   81.601   14.029   91.875   27.556   88.839   28.018  181.716  152.411   79.921   14.576   88.954   38.193 -9.033043 40.88031 
1 1 1   17   36   19 o   69.525   14.981   67.960   25.243   74.252   25.600 -152.8132  151.647   72.959   14.561   58.067   28.684 14.89241 32.16856 
1 1 1   17   36   20 o   54.922   18.260   42.524   29.277   40.916   29.875   81.494  147.073   54.179   18.447   76.720   34.926 -22.54113 39.49865 
1 1 1   17   36   21 f   71.598   14.485   71.398   25.008   77.147   25.369 -126.5266  148.845   74.673   14.122   59.372   29.151 15.30037 32.39105 
1 1 1   17   36   22 o   40.986   14.522   20.832   18.606   21.773   18.744 -42.5534  153.812   41.595   14.591   66.071   31.776 -24.47594 34.96614 
1 1 1   17   36   23 o   64.843   14.230   58.606   22.410   53.614   22.656  285.016  152.578   61.721   14.874  107.354   40.955 -45.63243 43.57229 
1 1 1   17   36   24 o  101.223   18.786  148.923   45.737  148.923   45.737   0.0000   0.0000  101.223   18.786  ?   ?  0.000000 18.78581 
1 1 1   17   36   25 f   80.690   13.079   88.640   25.452   84.517   25.772  251.601  162.032   78.476   13.646   99.508   40.807 -21.03140 43.02810 
1 1 1   17   36   26 o   86.779   38.838  165.677  173.059   0.0000   0.0000  165.677  173.059  ?   ?    86.779   38.838 0.000000 38.83814 
1 1 1   17   36   27 o   95.981   40.510  237.251  166.431   0.0000   0.0000  237.251  166.431  ?   ?    95.981   40.510 0.000000 40.50953 
1 1 1   17   37    2 o   46.163   18.818   32.263   34.202   35.034   34.806 -45.5459  184.424   47.196   19.077   52.324   26.587 -5.127739 32.72281 
1 1 1   17   37    3 o   50.996   19.839   43.596   36.303   51.449   37.052 -144.8864  181.518   53.983   20.276   50.537   25.746 3.446198 32.77147 
1 1 1   17   37    4 o   47.577   19.203   32.908   35.210   45.117   35.961 -250.0649  173.129   52.164   19.887   47.928   24.480 4.235950 31.53949 
1 1 1   17   37    5 o   55.849   28.020 -40.3714  169.910   0.0000   0.0000 -40.3714  169.910  ?   ?    55.849   28.020 0.000000 28.01991 
1 1 1   17   37    6 o   46.092   18.679   27.301   33.460   30.051   34.170 -36.8728  165.077   47.228   18.968   56.851   28.388 -9.622387 34.14194 
1 1 1   17   37    7 o  121.216   21.791  246.499   63.537  292.895   68.044 -69.3011  177.523  133.208   21.163   57.325   28.744 75.88281 35.69456 
1 1 1   17   37    8 o   46.850   18.691   28.004   32.944   27.307   33.611   45.030  166.206   46.751   18.800   63.561   31.124 -16.81050 36.36100 
1 1 1   17   37    9 o   72.837   21.537   89.737   41.909   89.737   41.909   0.0000   0.0000   72.837   21.537  ?   ?  0.000000 21.53708 
1 1 1   17   37   10 o  109.872   19.913  189.520   52.625  188.696   55.335  197.315  170.241  108.091   21.258   77.649   36.140 30.44213 41.92886 
1 1 1   17   37   11 o   50.512   19.065   35.509   32.840   34.884   33.550   49.815  160.485   50.378   19.208   66.656   32.158 -16.27796 37.45793 
1 1 1   17   37   12 o   80.961   20.906  105.541   42.561  114.519   44.239  -6.0808  155.996   84.306   21.072   63.201   30.774 21.10477 37.29695 
1 1 1   17   37   13 o   73.416   34.275  112.003  155.006   0.0000   0.0000  112.003  155.006  ?   ?    73.416   34.275 0.000000 34.27548 
1 1 1   17   37   14 o   48.150   18.478   29.435   31.172   36.284   31.845 -127.5927  152.476   51.198   18.882   56.527   28.071 -5.328930 33.83073 
1 1 1   17   37   15 o   38.047   16.248   6.5391   27.315   3.9086   27.778   83.548  150.298   37.411   16.185   71.996   33.659 -34.58484 37.34776 
1 1 1   17   37   16 f   47.055   18.079   27.124   29.862   27.968   30.463   6.3649  151.117   47.574   18.264   65.842   31.622 -18.26807 36.51767 
1 1 1   17   37   17 o   56.344   19.350   46.649   32.879   46.649   32.879   0.0000   0.0000   56.344   19.350  ?   ?  0.000000 19.34954 
1 1 1   17   37   18 o  101.452   13.268  141.163   32.809  146.436   33.503   17.866  162.002  103.335   13.292   68.455   32.841 34.88023 35.42873 
1 1 1   17   37   19 o   68.563   14.845   66.807   24.680   65.438   24.987  121.350  157.738   67.676   15.162   77.895   35.729 -10.21833 38.81243 
1 1 1   17   37   20 o   92.481   13.276  117.360   29.780  120.318   30.299   33.220  161.607   93.618   13.338   70.173   33.429 23.44518 35.99114 
1 1 1   17   37   21 f   59.380   18.995   52.398   31.838   57.290   32.514 -61.5876  156.952   61.784   19.119   62.895   30.678 -1.110905 36.14817 
1 1 1   17   37   22 o   85.875   13.682  101.865   28.356  112.344   28.802 -229.2389  161.893   90.597   13.112   54.678   27.421 35.91829 30.39491 
1 1 1   17   37   23 o   54.151   14.928   41.758   20.836   41.238   21.000   74.628  166.999   53.798   15.044   74.345   34.986 -20.54726 38.08314 
1 1 1   17   37   24 o   45.055   14.537   27.775   18.616   25.379   18.739  208.999  162.953   43.546   14.611   88.728   38.783 -45.18275 41.44382 
1 1 1   17   37   26 o   70.890   33.785   38.411  165.465   0.0000   0.0000   38.411  165.465  ?   ?    70.890   33.785 0.000000 33.78520 
1 1 1   17   38    5 o   70.137   21.995   96.557   42.870   97.395   44.024   81.212  188.428   69.903   22.334   56.602   28.542 13.30075 36.24141 
1 1 1   17   38    6 o   64.239   31.791  217.331  189.307   0.0000   0.0000  217.331  189.307  ?   ?    64.239   31.791 0.000000 31.79096 
1 1 1   17   38    7 o  120.453   21.635  254.709   62.685  269.651   66.538  136.783  186.924  122.398   22.602   62.221   30.930 60.17723 38.30769 
1 1 1   17   38    8 o   38.363   16.668   9.0342   29.714   3.7451   30.125  198.732  180.414   36.967   16.395   67.542   32.933 -30.57496 36.78867 
1 1 1   17   38    9 o   73.814   21.268   96.040   41.344   95.866   42.529   99.029  176.380   73.203   21.708   63.381   31.238 9.822411 38.04034 
1 1 1   17   38   10 o   74.375   21.747   97.563   42.941   97.563   42.941   0.0000   0.0000   74.375   21.747  ?   ?  0.000000 21.74660 
1 1 1   17   38   11 o   86.932   20.669  125.895   44.213  116.437   45.667  267.403  176.636   81.999   21.891   78.231   36.545 3.768692 42.60043 
1 1 1   17   38   12 o   33.314   14.978  -3.9542   26.053  -2.3598   26.384 -66.2704  164.948   33.970   15.187   57.282   28.568 -23.31198 32.35339 
1 1 1   17   38   13 o   76.753   21.172   98.795   41.898  115.756   43.222 -165.3934  170.582   83.842   20.755   54.156   27.289 29.68538 34.28504 
1 1 1   17   38   14 o   68.787   33.086   99.548  166.843   0.0000   0.0000   99.548  166.843  ?   ?    68.787   33.086 0.000000 33.08566 
1 1 1   17   38   15 o   69.591   20.534   79.195   38.131   85.498   39.187 -33.0719  165.385   72.229   20.675   60.893   30.057 11.33610 36.48150 
1 1 1   17   38   16 o   47.152   18.218   28.676   30.450   38.223   31.007 -230.0387  161.418   51.380   18.680   51.736   26.128 -0.3563499 32.11885 
1 1 1   17   38   17 o   52.457   18.737   40.314   31.034   42.737   31.602 -25.2561  164.377   53.609   18.934   62.215   30.564 -8.605358 35.95313 
1 1 1   17   38   18 o   90.193   20.576  129.160   45.318  129.160   45.318   0.0000   0.0000   90.193   20.576  ?   ?  0.000000 20.57578 
1 1 1   17   38   19 o   44.924   15.186   27.935   20.244   27.610   20.391   50.282  168.908   44.751   15.240   68.186   32.920 -23.43538 36.27691 
1 1 1   17   38   20 o   45.038   15.177   28.068   20.220   27.472   20.360   70.897  172.646   44.702   15.229   70.136   33.715 -25.43396 36.99433 
1 1 1   17   38   21 o   29.944   12.689   3.2116   16.437   2.3287   16.513   98.586  171.628   29.607   12.638   72.468   34.502 -42.86075 36.74357 
1 1 1   17   38   22 o   63.440   19.360   62.527   33.473   69.455   34.162 -104.0964  167.529   66.765   19.361   59.369   29.472 7.396049 35.26278 
1 1 1   17   38   23 o   38.860   14.116   18.725   17.702   19.752   17.797 -76.4722  171.335   39.507   14.181   61.279   30.312 -21.77206 33.46482 
1 1 1   17   38   24 o   85.680   39.213  252.504  188.568   0.0000   0.0000  252.504  188.568  ?   ?    85.680   39.213 0.000000 39.21278 
1 1 1   17   38   25 o   64.366   31.599 -25.3465  174.756   0.0000   0.0000 -25.3465  174.756  ?   ?    64.366   31.599 0.000000 31.59893 
1 1 1   17   39    9 f   61.941   21.011   72.703   38.755   82.089   39.576 -146.6478  191.313   65.751   21.193   50.293   25.691 15.45844 33.30423 
1 1 1   17   39   10 o  102.982   21.499  189.098   53.502  194.233   55.632  125.841  195.243  103.279   22.229   60.381   30.257 42.89718 37.54521 
1 1 1   17   39   11 o   65.635   21.251   79.185   39.758   79.185   39.758   0.0000   0.0000   65.635   21.251  ?   ?  0.000000 21.25096 
1 1 1   17   39   12 o   50.859   19.069   41.372   32.742   39.432   33.283   99.596  182.325   50.080   19.123   61.840   30.707 -11.75991 36.17475 
1 1 1   17   39   13 o   59.187   20.192   60.312   35.794   66.198   36.535 -80.4215  178.647   61.691   20.393   54.937   27.713 6.753937 34.40802 
1 1 1   17   39   14 o   36.178   15.791   5.0909   26.929   0.3676   27.247  203.863  176.753   34.884   15.526   70.475   33.937 -35.59092 37.31964 
1 1 1   17   39   15 o   62.050   20.411   65.597   36.615   62.462   37.398  138.139  179.895   60.496   20.639   67.050   32.736 -6.554642 38.69868 
1 1 1   17   39   16 o   32.280   14.563  -4.6795   24.879 -11.1527   25.128  316.769  177.075   30.665   14.137   82.366   37.807 -51.70154 40.36397 
1 1 1   17   39   17 o   39.701   16.413   14.760   26.484   16.500   26.794 -59.2550  174.787   40.494   16.599   57.913   28.962 -17.41849 33.38170 
1 1 1   17   39   18 o   43.381   17.114   22.963   27.333   18.653   27.660  202.319  178.430   41.730   16.957   74.014   35.222 -32.28409 39.09108 
1 1 1   17   39   19 o   44.062   17.271   24.165   27.675   24.165   27.675   0.0000   0.0000   44.062   17.271  ?   ?  0.000000 17.27143 
1 1 1   17   39   20 o   37.049   14.182   15.874   18.333   14.893   18.426  112.063  182.475   36.563   14.159   68.629   33.387 -32.06571 36.26524 
1 1 1   17   39   21 o   58.135   15.224   50.251   22.362   50.399   22.529   40.428  183.896   58.179   15.302   64.792   31.927 -6.612808 35.40441 
1 1 1   17   39   22 o   69.641   14.324   70.278   24.079   69.451   24.278  120.051  188.319   69.080   14.534   69.692   33.907 -0.6123505 36.89104 
1 1 1   17   39   23 o   60.515   30.198 -54.2640  185.459   0.0000   0.0000 -54.2640  185.459  ?   ?    60.515   30.198 0.000000 30.19756 
1 1 1   17   39   24 o   61.165   30.519 -45.9914  189.202   0.0000   0.0000 -45.9914  189.202  ?   ?    61.165   30.519 0.000000 30.51851 
1 1 1   18  -24    0 o   80.932   36.290  103.386  151.856  103.386  151.856   0.0000   0.0000   80.932   36.290  ?   ?  0.000000 36.28971 
1 1 1   18  -23    0 o   62.140   24.293   47.947   54.644 -59.9847  140.914   67.050   59.282   65.094   31.066   68.719   25.679 -3.624931 40.30529 
1 1 1   18  -23    1 o   74.812   25.780   86.856   58.388  184.220  144.511   67.861   63.830   94.631   38.641   69.005   26.450 25.62590 46.82671 
1 1 1   18  -23    2 f   71.613   25.926   78.834   59.639  181.372  150.846   59.836   64.930   92.324   38.744   66.398   26.319 25.92509 46.83809 
1 1 1   18  -22    0 o   71.698   25.206   73.967   55.952 -14.8780  135.479   92.237   61.437   70.021   32.471   78.217   26.455 -8.196251 41.88334 
1 1 1   18  -22    1 o   73.915   25.679   81.184   57.987   91.896  139.838   78.959   63.724   83.041   36.120   73.469   26.769 9.571869 44.95757 
1 1 1   18  -22    2 o   50.540   22.104   5.3454   53.005 -23.7534  136.510   10.511   57.519   67.937   31.862   53.313   23.177 14.62387 39.39970 
1 1 1   18  -22    3 o   76.639   26.154   91.655   60.054  150.292  145.075   79.529   65.971   89.692   37.836   72.826   27.114 16.86577 46.54855 
1 1 1   18  -22    4 f   67.828   25.607   66.449   59.260   49.073  148.503   69.740   64.628   75.474   34.636   69.305   26.603 6.169365 43.67384 
1 1 1   18  -21    0 o   38.715   16.700   0.5680   29.399  -2.5667   51.074   2.1212   35.952   48.944   21.544   42.895   18.485 6.048920 28.38786 
1 1 1   18  -21    1 o  119.204   23.082  206.200   66.227  294.965  143.644  182.237   74.633  124.874   40.389  108.751   27.473 16.12374 48.84737 
1 1 1   18  -21    2 o   59.218   23.479   37.495   51.687  160.651  131.106   14.832   56.242   95.820   37.583   54.541   23.304 41.27833 44.22126 
1 1 1   18  -21    3 o   44.873   20.374 -15.9988   49.626 -53.5045  127.932  -9.3555   53.842   64.199   30.336   48.044   21.571 16.15492 37.22314 
1 1 1   18  -21    4 o   71.697   25.662   75.445   58.240  125.608  140.054   64.958   64.039   87.377   37.035   68.986   26.482 18.39163 45.52872 
1 1 1   18  -21    5 o   58.374   24.127   32.767   57.214   33.480  149.842   32.645   61.905   75.242   34.627   59.545   24.893 15.69699 42.64569 
1 1 1   18  -21    6 o   60.896   24.962   40.921   60.601   70.961  158.467   35.776   65.587   78.963   36.066   60.736   25.521 18.22683 44.18224 
1 1 1   18  -20    0 o   72.397   18.396   72.416   33.325   66.523   55.613   75.717   41.627   70.937   25.110   73.548   21.384 -2.610535 32.98187 
1 1 1   18  -20    1 o  165.096   12.213  352.979   49.993  254.640   78.050  421.394   65.101  133.149   24.372  179.078   14.687 -45.92950 28.45518 
1 1 1   18  -20    2 o   41.130   17.193   7.3917   29.526  -5.9379   50.787   14.197   36.290   48.172   21.330   46.888   19.280 1.283466 28.75200 
1 1 1   18  -20    3 o   70.941   24.989   69.907   55.014  157.221  130.230   50.941   60.695   96.869   37.605   65.807   25.638 31.06160 45.51329 
1 1 1   18  -20    4 o   52.599   22.288   14.722   50.698 -121.5359  127.232   40.440   55.276   58.751   28.415   61.124   24.266 -2.372749 37.36636 
1 1 1   18  -20    5 o   92.330   26.066  132.100   62.732  -1.7028  138.366  166.719   70.381   71.748   33.110  103.208   26.999 -31.46027 42.72256 
1 1 1   18  -20    6 o   67.534   25.527   62.074   58.935  167.049  151.084   43.234   64.006   94.250   39.101   63.147   25.743 31.10248 46.81432 
1 1 1   18  -20    7 o   48.521   21.691  -4.8323   53.811   80.878  146.352 -18.2311   57.865   80.506   35.896   47.574   21.754 32.93244 41.97324 
1 1 1   18  -20    8 o   62.247   24.911   47.290   58.710   16.120  145.716   53.330   64.147   71.969   33.477   64.849   26.008 7.120613 42.39256 
1 1 1   18  -19    0 o   65.469   18.673   58.149   32.023   61.177   52.967   56.404   40.202   69.360   24.510   65.366   21.381 3.993690 32.52582 
1 1 1   18  -19    1 o   49.110   18.454   25.254   30.697   24.536   51.075   25.659   38.409   56.739   23.048   52.317   20.391 4.422600 30.77344 
1 1 1   18  -19    2 o   84.472   16.711   96.684   34.001   93.219   56.496   98.651   42.575   80.912   25.230   84.019   20.479 -3.106773 32.49495 
1 1 1   18  -19    3 o  171.254   12.070  379.009   51.288  322.210   80.314  418.124   66.648  152.231   21.745  178.244   15.116 -26.01277 26.48260 
1 1 1   18  -19    4 o   83.453   16.871   95.361   33.949   79.614   55.349  104.859   42.984   74.971   25.111   86.162   20.309 -11.19091 32.29604 
1 1 1   18  -19    5 o  105.180   24.792  164.024   64.055   41.886  135.173  199.393   72.740   78.491   34.774  115.504   25.863 -37.01334 43.33751 
1 1 1   18  -19    6 o   47.759   21.168  -4.7193   50.141   27.723  127.914 -10.6091   54.502   74.447   33.349   48.398   21.718 26.04898 39.79796 
1 1 1   18  -19    7 o   92.350   26.405  132.610   63.954   26.915  146.090  157.668   71.132   76.235   34.746   99.913   27.597 -23.67820 44.37200 
1 1 1   18  -19    8 o  108.809   25.320  182.139   67.507  190.982  142.918  179.600   76.590   98.689   39.069  105.327   28.449 -6.638535 48.32973 
1 1 1   18  -19    9 o  156.588   21.603  356.959   82.225  466.684  167.228  321.973   94.428  148.362   42.782  142.615   27.511 5.746689 50.86416 
1 1 1   18  -19   10 o   74.151   26.911   85.543   64.314  348.232  153.786   29.863   70.803  124.177   41.855   60.628   26.032 63.54894 49.29029 
1 1 1   18  -18    0 o   35.818   16.607 -27.8310   35.417 -14.2661   50.764 -40.6953   49.436   47.437   21.147   41.669   19.421 5.768150 28.71172 
1 1 1   18  -18    1 o  162.795   15.550  345.340   62.448  332.609   88.867  357.760   87.773  155.683   23.598  162.341   22.235 -6.658035 32.42362 
1 1 1   18  -18    2 o  128.178   12.877  212.442   40.658  146.604   64.993  254.777   52.116  101.346   25.656  139.589   15.196 -38.24241 29.81908 
1 1 1   18  -18    3 o   45.841   17.910   18.451   29.686   55.527   50.308  -1.3562   36.771   66.682   23.853   42.874   18.585 23.80735 30.23817 
1 1 1   18  -18    4 o  200.568   11.822  517.083   58.947  430.389   90.002  582.208   78.007  177.778   20.658  211.131   14.891 -33.35229 25.46583 
1 1 1   18  -18    5 o   50.667   18.531   29.409   30.582 -12.2243   50.567   53.419   38.401   47.013   21.021   63.238   20.907 -16.22478 29.64773 
1 1 1   18  -18    6 o  131.253   13.240  225.557   42.803  154.960   67.189  273.777   55.529  101.911   26.243  143.400   15.767 -41.48840 30.61545 
1 1 1   18  -18    7 o   55.500   22.853   23.761   51.079 -92.8319  125.985   46.696   55.877   61.541   29.371   63.582   24.647 -2.040443 38.34233 
1 1 1   18  -18    8 o   73.509   25.581   77.728   57.556  103.420  139.559   72.462   63.179   86.755   36.879   72.271   26.605 14.48402 45.47390 
1 1 1   18  -18    9 o   76.989   25.708   89.046   58.010   41.204  133.834  100.113   64.371   76.137   34.109   80.737   27.080 -4.599777 43.55185 
1 1 1   18  -18   10 o   66.030   25.123   57.997   57.320   52.659  138.849   59.093   62.934   77.215   34.657   67.215   26.128 10.00057 43.40239 
1 1 1   18  -18   11 o   48.682   21.837  -6.2281   55.041 -136.9955  141.336   17.150   59.759   59.137   28.903   55.307   23.833 3.830254 37.46216 
1 1 1   18  -18   12 o   72.125   26.657   79.534   63.537  106.837  158.706   74.323   69.336   82.710   37.092   70.973   27.471 11.73731 46.15733 
1 1 1   18  -17    0 o  263.958   12.120  884.367   79.892  783.300  118.237  969.278  108.375  244.585   19.521  274.319   15.889 -29.73410 25.16986 
1 1 1   18  -17    1 o   50.163   18.334   27.276   29.926   70.147   50.058   3.4322   37.332   73.116   23.856   44.972   19.094 28.14424 30.55669 
1 1 1   18  -17    2 f   60.702   21.036   45.121   38.902   27.345   55.806   61.923   54.258   60.009   24.191   70.546   24.820 -10.53728 34.65926 
1 1 1   18  -17    3 o  115.363   17.778  177.049   49.569  158.558   71.936  193.768   68.399  105.365   27.166  118.086   24.013 -12.72126 36.25782 
1 1 1   18  -17    4 o   94.584   15.461  118.473   35.255  137.989   58.417  107.293   44.215   99.040   23.895   88.279   20.457 10.76118 31.45567 
1 1 1   18  -17    5 o   81.459   16.866   89.676   33.178   60.095   54.140  107.467   41.986   69.092   24.741   88.425   19.535 -19.33218 31.52389 
1 1 1   18  -17    6 o   56.154   18.560   40.759   30.263   37.649   50.330   42.521   37.875   60.345   23.392   58.661   20.727 1.684113 31.25326 
1 1 1   18  -17    7 o   61.858   18.759   52.040   31.499   65.208   51.108   43.975   39.998   69.720   24.114   59.525   21.271 10.19502 32.15509 
1 1 1   18  -17    8 o   70.764   18.371   69.719   32.748   64.130   52.746   73.225   41.774   69.136   24.456   72.002   21.551 -2.865829 32.59713 
1 1 1   18  -17    9 o  132.193   22.436  249.663   71.414  389.904  150.228  208.719   81.172  146.757   39.929  116.382   28.221 30.37512 48.89587 
1 1 1   18  -17   10 o   70.899   25.279   70.607   56.460  224.435  132.658   36.578   62.393  109.492   38.779   61.885   25.344 47.60680 46.32628 
1 1 1   18  -17   11 o   59.466   23.950   36.651   54.647  -1.3789  135.910   43.985   59.685   71.227   32.851   62.741   25.114 8.486019 41.35098 
1 1 1   18  -17   12 o   73.794   27.341   80.452   66.922   0.0000   0.0000   80.452   66.922  ?   ?    73.794   27.341 0.000000 27.34129 
1 1 1   18  -17   13 o  128.941   43.259  378.385  164.269  378.385  164.269   0.0000   0.0000  128.941   43.259  ?   ?  0.000000 43.25950 
1 1 1   18  -17   14 o   70.221   26.017   74.550   60.593  171.307  149.297   55.469   66.299   90.690   38.327   65.384   26.364 25.30534 46.51913 
1 1 1   18  -16    0 o  153.563   12.017  300.216   45.713  245.668   70.839  339.140   59.840  135.840   21.607  162.461   14.917 -26.62091 26.25554 
1 1 1   18  -16    1 o  189.113   11.711  454.398   55.031  380.516   84.055  509.825   72.804  170.059   20.187  199.383   14.727 -29.32458 24.98808 
1 1 1   18  -16    2 o   79.481   17.328   84.405   33.422   99.901   54.433   75.028   42.343   85.484   24.332   74.690   21.525 10.79401 32.48666 
1 1 1   18  -16    3 o   61.612   18.573   49.953   30.945   15.651   50.021   71.220   39.387   54.659   22.573   72.692   20.700 -18.03263 30.62746 
1 1 1   18  -16    4 o   68.117   18.465   62.496   32.195   40.642   52.773   75.452   40.633   63.034   24.077   74.533   20.956 -11.49982 31.91942 
1 1 1   18  -16    5 o  154.647   15.523  311.436   59.138  270.366   85.022  349.929   82.311  139.354   25.367  161.448   20.907 -22.09380 32.87215 
1 1 1   18  -16    6 o   82.683   17.399   92.331   34.786   88.386   61.195   94.215   42.282   80.319   26.385   82.665   20.566 -2.345993 33.45373 
1 1 1   18  -16    7 o  115.105   13.364  172.497   37.698  104.697   59.840  217.110   48.541   85.789   25.820  128.484   15.438 -42.69555 30.08354 
1 1 1   18  -16    8 o   92.279   15.788  113.963   35.074  131.945   56.526  102.704   44.726   96.101   23.702   85.612   21.064 10.48952 31.70962 
1 1 1   18  -16    9 o  144.022   12.500  269.225   44.511  229.798   69.723  296.347   57.828  127.615   22.711  149.558   15.719 -21.94274 27.62051 
1 1 1   18  -16   10 f   56.188   18.815   41.358   31.074   83.260   49.886   14.792   39.722   76.146   23.702   48.636   20.103 27.50981 31.07922 
1 1 1   18  -16   11 o   64.428   21.613   56.950   41.002 -93.0348  137.068   71.690   42.970   63.989   30.566   70.889   21.987 -6.899700 37.65263 
1 1 1   18  -16   12 o   94.013   26.099  135.878   63.443  232.226  139.786  110.883   71.199  109.822   39.703   84.490   28.479 25.33223 48.86073 
1 1 1   18  -16   13 o   62.075   24.605   44.325   56.753  210.964  137.589   10.160   62.300  103.807   39.056   55.175   24.052 48.63196 45.86841 
1 1 1   18  -16   14 o   64.960   25.079   55.057   57.673  147.365  140.313   36.292   63.265   90.336   37.596   60.999   25.304 29.33632 45.31855 
1 1 1   18  -16   15 o   67.873   25.705   65.656   59.834   80.002  144.676   62.696   65.717   79.241   35.484   67.697   26.590 11.54398 44.34167 
1 1 1   18  -16   16 o   57.362   24.347   28.671   60.666  195.331  150.367  -3.7310   66.302   93.383   38.897   52.412   23.698 40.97060 45.54705 
1 1 1   18  -15    0 o  181.717   11.566  418.465   52.211  349.675   79.098  471.578   69.503  163.673   19.752  192.139   14.595 -28.46518 24.55891 
1 1 1   18  -15    1 o   81.502   16.878   87.949   33.221   93.815   53.113   84.180   42.577   83.535   24.117   79.195   21.136 4.340370 32.06776 
1 1 1   18  -15    2 o  160.719   11.721  328.269   46.716  350.531   72.822  312.700   60.897  164.204   18.058  155.701   15.885 8.503128 24.05016 
1 1 1   18  -15    3 o  172.941   11.597  380.028   49.793  372.874   76.767  385.223   65.422  169.078   18.483  173.030   15.299 -3.952118 23.99299 
1 1 1   18  -15    4 f   90.297   15.785  107.316   34.297  118.404   55.476  100.457   43.636   92.871   23.809   86.131   20.571 6.740082 31.46449 
1 1 1   18  -15    5 o  155.059   11.819  306.777   45.419  286.044   71.067  321.093   59.054  146.860   19.890  157.582   15.195 -10.72232 25.03017 
1 1 1   18  -15    6 o  172.289   11.660  378.703   49.872  375.996   77.718  380.598   65.026  168.883   18.744  171.400   15.355 -2.517349 24.23096 
1 1 1   18  -15    7 o  265.612   16.339  917.024  107.850  813.576  152.880  1019.51  152.169  243.366   25.537  275.542   22.306 -32.17575 33.90710 
1 1 1   18  -15    8 o  130.179   16.146  223.083   51.361  205.704   74.381  238.920   71.007  120.571   25.501  131.871   22.362 -11.30004 33.91642 
1 1 1   18  -15    9 o  170.486   11.872  373.414   50.227  302.866   76.723  426.323   66.443  148.910   21.234  180.827   14.845 -31.91740 25.90864 
1 1 1   18  -15   10 o  125.443   13.138  204.981   40.545  217.773   64.847  196.771   51.951  125.279   21.503  120.881   17.738 4.397499 27.87471 
1 1 1   18  -15   11 o  164.888   15.996  360.870   65.038   0.0000   0.0000  360.870   65.038  ?   ?   164.888   15.996 0.000000 15.99640 
1 1 1   18  -15   12 o  124.506   21.060  217.917   63.144  217.917   63.144   0.0000   0.0000  124.506   21.060  ?   ?  0.000000 21.06013 
1 1 1   18  -15   13 f  183.782   14.325  446.544   65.224  614.240  159.170  412.703   71.502  193.544   34.183  175.033   16.555 18.51053 37.98096 
1 1 1   18  -15   14 o   89.084   25.908  122.182   61.095  159.636  135.220  112.575   68.484   95.043   37.883   84.922   27.913 10.12064 47.05608 
1 1 1   18  -15   15 o   50.782   22.163   5.5803   53.037   32.705  133.918   0.5343   57.760   74.305   33.630   51.460   22.769 22.84523 40.61265 
1 1 1   18  -15   16 o   65.300   25.390   55.965   59.440  106.006  142.620   45.445   65.389   83.495   36.395   63.526   25.972 19.96914 44.71158 
1 1 1   18  -15   17 o  168.343   21.505  416.855   88.338  489.527  171.792  390.732  102.999  147.003   43.637  156.014   27.439 -9.010437 51.54713 
1 1 1   18  -15   18 o   96.809   29.951  168.012   79.795   0.0000   0.0000  168.012   79.795  ?   ?    96.809   29.951 0.000000 29.95119 
1 1 1   18  -14    0 o  214.255   16.851  588.487   89.428  625.891  149.064  567.454  111.778  216.122   28.300  208.567   21.783 7.554977 35.71251 
1 1 1   18  -14    1 o  100.017   22.032  134.230   53.542  274.974  112.800   93.296   60.832  140.225   32.798   84.127   26.172 56.09806 41.96013 
1 1 1   18  -14    2 o  313.517   18.928  1266.82  147.493  1177.76  222.653  1336.47  196.888  294.931   30.680  318.449   24.959 -23.51797 39.55014 
1 1 1   18  -14    3 o  168.512   11.579  360.232   48.427  388.999   74.933  339.599   63.461  173.434   17.543  162.471   15.843 10.96365 23.63812 
1 1 1   18  -14    4 o  215.464   11.304  587.945   60.609  570.508   91.092  601.796   81.189  210.177   17.515  216.813   15.089 -6.636551 23.11877 
1 1 1   18  -14    5 o  175.383   11.557  390.707   50.333  341.873   77.098  426.979   66.447  161.444   19.520  182.443   14.710 -20.99947 24.44199 
1 1 1   18  -14    6 o  236.008   11.441  705.212   67.427  673.462  101.242  730.521   90.390  227.715   17.950  238.477   15.258 -10.76195 23.55855 
1 1 1   18  -14    7 o   93.379   15.220  114.470   34.269  121.621   55.801  110.139   43.422   93.867   23.778   90.248   19.811 3.618614 30.94944 
1 1 1   18  -14    8 o   81.775   16.386   89.205   32.295  123.228   53.237   69.393   40.624   94.443   22.826   71.726   21.203 22.71735 31.15458 
1 1 1   18  -14    9 o  225.245   15.397  657.800   86.085  674.709  123.305  641.722  120.238  223.665   22.377  218.073   22.398 5.592850 31.66035 
1 1 1   18  -14   10 o   76.604   20.973   81.041   41.296  101.599   58.624   60.795   58.180   84.884   25.559   70.311   25.584 14.57355 36.16312 
1 1 1   18  -14   11 o  226.926   12.167  661.752   68.695  544.335  103.402  754.517   91.908  200.205   20.995  240.342   15.394 -40.13748 26.03414 
1 1 1   18  -14   12 o  204.983   11.607  540.394   59.170  591.153   90.191  502.038   78.401  210.777   17.287  194.844   16.262 15.93344 23.73401 
1 1 1   18  -14   13 o  162.474   11.919  341.710   48.023  306.909   72.698  368.652   63.966  149.280   20.005  166.779   15.538 -17.49939 25.33005 
1 1 1   18  -14   14 o   60.831   18.714   50.899   31.201   98.196   45.895   10.254   42.545   82.406   21.921   48.361   20.450 34.04462 29.97876 
1 1 1   18  -14   15 o   68.621   22.090   67.073   43.008   55.087  133.494   68.461   45.430   78.862   34.767   69.295   22.732 9.567024 41.53931 
1 1 1   18  -14   16 o   59.103   24.150   33.543   56.497   81.725  132.567   22.850   62.453   81.416   35.290   58.129   24.689 23.28757 43.06908 
1 1 1   18  -14   17 o  109.788   25.408  186.303   68.279  301.703  146.340  154.191   77.196  120.007   40.828   96.396   29.397 23.61023 50.31013 
1 1 1   18  -14   18 o   79.919   26.986  102.493   63.931  262.528  148.095   65.840   70.875  108.554   40.583   69.235   27.480 39.31909 49.01177 
1 1 1   18  -14   19 o   72.514   27.062   82.512   65.793  126.495  149.576   71.961   73.260   83.480   36.802   70.059   27.897 13.42139 46.18081 
1 1 1   18  -14   20 o   50.549   23.093  -8.3719   65.012   0.0000   0.0000  -8.3719   65.012  ?   ?    50.549   23.093 0.000000 23.09304 
1 1 1   18  -13    0 o  284.131   11.782  1017.41   83.593  1005.55  122.068  1027.88  114.713  280.392   17.521  283.971   16.244 -3.578949 23.89276 
1 1 1   18  -13    1 o  314.178   12.292  1245.40   96.440  1238.02  140.150  1252.03  132.911  310.862   18.133  313.074   17.065 -2.211761 24.90006 
1 1 1   18  -13    2 o  114.828   13.259  168.845   37.320  167.903   58.973  169.475   48.198  112.293   21.817  114.026   17.485 -1.733299 27.95863 
1 1 1   18  -13    3 o  257.938   17.350  853.144  111.105  877.762  174.079  836.223  144.324  256.645   27.596  252.814   23.116 3.831131 35.99841 
1 1 1   18  -13    4 o  235.749   17.696  714.908  103.417  571.012  162.858  812.141  133.873  203.135   33.256  249.567   21.697 -46.43245 39.70811 
1 1 1   18  -13    5 o  165.090   11.747  345.950   48.111  293.029   74.078  384.557   63.271  149.359   20.394  173.312   14.760 -23.95300 25.17519 
1 1 1   18  -13    6 o  320.805   12.667  1303.77  101.475  1291.28  147.790  1314.91  139.576  316.030   18.812  319.622   17.555 -3.591980 25.73036 
1 1 1   18  -13    7 o  154.470   11.645  303.561   44.589  184.999   68.619  390.209   58.661  116.437   24.381  174.705   13.552 -58.26864 27.89457 
1 1 1   18  -13    8 o   47.336   17.878   21.751   28.891 -30.3871   48.374   50.660   36.020   43.189   19.801   62.827   20.215 -19.63765 28.29749 
1 1 1   18  -13    9 o  163.596   11.485  341.061   46.621  418.938   73.866  289.496   60.106  179.501   16.669  149.055   16.420 30.44559 23.39846 
1 1 1   18  -13   10 o   66.911   20.360   59.714   37.057  119.628  116.080   52.915   39.103   95.644   35.896   64.079   21.093 31.56463 41.63459 
1 1 1   18  -13   11 o  340.786   22.567  1565.65  190.958  1565.65  190.958   0.0000   0.0000  340.786   22.567  ?   ?  0.000000 22.56678 
1 1 1   18  -13   12 o   88.032   19.744  106.636   42.334   92.442   59.925  120.778   59.814   81.332   26.064   91.932   25.271 -10.59979 36.30399 
1 1 1   18  -13   13 o  190.793   11.576  467.562   54.895  451.060   83.528  480.109   72.833  183.507   18.479  191.342   15.373 -7.835327 24.03724 
1 1 1   18  -13   14 o   81.732   16.727   91.085   32.989  150.583   50.874   47.916   43.334  103.955   20.326   61.747   22.132 42.20820 30.04974 
1 1 1   18  -13   15 o  153.187   11.994  304.547   45.513  236.109   67.725  360.910   61.461  129.312   21.745  165.088   15.075 -35.77527 26.45897 
1 1 1   18  -13   16 o  226.079   12.156  664.249   68.374  742.902  101.805  599.619   92.285  234.287   17.528  210.176   17.749 24.11125 24.94517 
1 1 1   18  -13   17 o   83.274   21.794  101.611   45.848   96.106  137.225  102.303   48.643   84.652   36.291   83.117   22.765 1.534302 42.84009 
1 1 1   18  -13   18 o   77.472   26.374   91.575   61.068   59.567  137.189   99.485   68.197   78.228   34.826   80.016   27.845 -1.788307 44.58931 
1 1 1   18  -13   19 o  136.371   23.393  278.306   76.796  412.008  158.536  237.314   87.782  139.293   42.050  119.592   29.562 19.70144 51.40180 
1 1 1   18  -13   20 o  198.755   20.816  575.444  101.782  801.886  188.550  482.325  120.912  204.313   38.364  170.631   29.440 33.68231 48.35866 
1 1 1   18  -13   21 o   96.448   27.546  158.916   69.637  365.401  152.105  104.159   78.328  122.918   41.625   77.791   29.423 45.12716 50.97431 
1 1 1   18  -12    0 o  268.933   11.361  910.362   76.295  935.685  111.793  888.284  104.384  270.932   16.604  264.182   15.897 6.749542 22.98663 
1 1 1   18  -12    1 o  290.991   11.881  1066.88   86.335  1091.63  125.970  1044.96  118.560  292.382   17.330  286.285   16.656 6.097076 24.03671 
1 1 1   18  -12    2 o  215.017   11.048  583.427   59.121  572.399   88.150  592.443   79.706  211.500   16.829  215.756   14.885 -4.255463 22.46748 
1 1 1   18  -12    3 o  263.951   11.539  877.855   76.057  881.066  111.988  875.106  103.621  262.463   17.181  262.013   15.912 0.4504395 23.41791 
1 1 1   18  -12    4 o  483.121   16.509  2971.17  199.174  2925.58  284.110  3015.23  279.300  473.772   24.094  482.215   23.194 -8.443695 33.44357 
1 1 1   18  -12    5 f  110.395   13.667  156.546   36.870  132.857   59.242  171.522   47.105   99.109   24.157  114.825   16.936 -15.71604 29.50237 
1 1 1   18  -12    6 o  267.962   17.484  921.966  116.352  945.831  180.274  904.927  152.327  266.154   27.521  262.599   23.477 3.555054 36.17416 
1 1 1   18  -12    7 o  156.332   18.095  317.464   69.335  341.448  123.840  306.513   83.680  155.960   32.836  151.911   22.760 4.049133 39.95237 
1 1 1   18  -12    8 o   75.727   17.223   76.353   31.833   93.041   51.898   66.287   40.306   83.052   23.799   70.846   21.161 12.20554 31.84662 
1 1 1   18  -12    9 o   88.859   16.496  104.299   35.256   80.008   63.833  114.962   42.292   79.154   26.965   92.739   18.903 -13.58509 32.93058 
1 1 1   18  -12   10 o   98.041   18.692  128.431   44.092  146.474   57.053  101.673   69.479  103.544   22.692   86.759   28.093 16.78512 36.11258 
1 1 1   18  -12   11 o  356.089   13.566  1619.79  120.627  1533.31  174.333  1699.22  167.084  340.968   20.571  360.725   18.612 -19.75641 27.74101 
1 1 1   18  -12   12 o  274.174   12.234  958.325   83.759  929.770  123.103  982.938  114.294  265.899   18.658  274.772   16.737 -8.872375 25.06463 
1 1 1   18  -12   13 o   87.597   18.577  104.373   39.376  148.455   53.154   50.761   58.619  103.817   21.219   67.260   25.450 36.55656 33.13579 
1 1 1   18  -12   14 o  176.063   15.039  405.166   65.486  388.982   91.532  422.137   93.729  168.111   22.358  175.562   21.852 -7.451355 31.26331 
1 1 1   18  -12   15 o   54.023   18.419   36.938   29.785   89.460   45.103  -3.6816   39.664   79.507   21.981   43.594   19.092 35.91267 29.11515 
1 1 1   18  -12   16 o  130.420   12.726  221.927   40.918  306.027   61.649  155.707   54.704  151.217   16.599  104.816   21.618 46.40115 27.25521 
1 1 1   18  -12   17 o  249.836   11.928  806.861   74.418  802.737  110.061  810.334  101.007  243.181   18.257  246.102   16.532 -2.921066 24.62961 
1 1 1   18  -12   18 o  146.741   12.029  281.032   43.692  221.812   62.495  337.653   61.108  125.092   20.732  158.665   15.626 -33.57271 25.96122 
1 1 1   18  -12   19 o  112.820   24.949  192.791   68.424  259.084  146.338  174.242   77.406  113.035   40.655  103.973   28.816 9.063034 49.83134 
1 1 1   18  -12   20 o  229.363   19.601  741.396  111.187  876.724  189.689  670.564  137.235  224.561   34.964  207.957   27.068 16.60396 44.21749 
1 1 1   18  -12   21 o  105.052   26.089  176.392   68.128  242.242  149.364  159.093   76.555  103.826   40.283   96.668   29.229 7.158058 49.76984 
1 1 1   18  -12   22 o   50.391   22.302   5.1317   55.458  224.183  142.254 -34.1286   60.224   98.347   38.964   45.177   21.180 53.16993 44.34861 
1 1 1   18  -12   23 o   54.011   23.556   19.135   59.820   91.099  150.102   5.5468   65.224   76.057   34.874   52.808   23.724 23.24818 42.17803 
1 1 1   18  -11    0 o  243.503   11.352  745.972   69.030  718.524  101.025  770.010   94.542  237.245   17.168  246.138   15.460 -8.893692 23.10327 
1 1 1   18  -11    1 o  123.261   11.930  193.074   36.261  230.018   56.038  166.462   47.561  133.496   17.211  113.199   17.381 20.29748 24.45999 
1 1 1   18  -11    2 o  262.696   11.568  868.805   75.887  865.333  110.822  871.871  104.131  260.359   17.141  261.708   16.011 -1.349091 23.45536 
1 1 1   18  -11    3 o  148.850   11.334  280.487   41.813  326.386   64.106  246.500   55.163  159.538   16.321  138.441   16.266 21.09723 23.04259 
1 1 1   18  -11    4 o  335.074   12.751  1416.89  106.693  1376.34  154.221  1454.11  147.759  327.651   18.929  337.400   17.598 -9.748596 25.84590 
1 1 1   18  -11    5 o  139.141   11.846  245.769   40.770  262.834   63.348  233.702   53.268  142.397   18.234  134.701   16.159 7.696426 24.36319 
1 1 1   18  -11    6 o  272.358   11.683  935.256   79.460  901.404  116.599  964.609  108.576  265.173   17.710  275.042   15.876 -9.869324 23.78418 
1 1 1   18  -11    7 o   77.926   16.929   80.334   32.002   63.520   52.388   90.343   40.419   71.895   24.428   82.247   19.896 -10.35279 31.50549 
1 1 1   18  -11    8 o   75.486   23.779   74.105   50.043   43.552  102.749   83.607   57.298   79.625   32.556   80.061   25.469 -0.4364014 41.33454 
1 1 1   18  -11    9 o  238.169   17.558  730.902  103.692  698.455  165.344  751.936  133.124  226.304   29.997  239.235   22.549 -12.93050 37.52755 
1 1 1   18  -11   10 o  208.591   11.286  551.420   58.570  548.208   87.045  554.077   79.174  206.042   17.071  207.796   15.367 -1.753830 22.96887 
1 1 1   18  -11   11 o  256.639   11.584  834.081   74.242  811.704  110.012  852.795  100.605  250.271   17.717  257.547   15.718 -7.276291 23.68448 
1 1 1   18  -11   12 f  165.781   11.402  350.003   46.916  311.229   72.014  378.595   61.840  153.531   19.203  171.411   14.586 -17.87997 24.11452 
1 1 1   18  -11   13 o  196.588   11.299  492.259   55.237  541.843   84.220  454.828   73.174  203.975   16.680  187.178   15.803 16.79707 22.97722 
1 1 1   18  -11   14 o  147.264   11.816  278.095   43.086  392.120   67.341  199.062   56.064  173.401   15.723  121.778   19.061 51.62300 24.70864 
1 1 1   18  -11   15 o  178.011   14.779  412.757   65.102  338.685   90.126  493.579   94.142  156.061   23.886  191.637   19.965 -35.57549 31.13150 
1 1 1   18  -11   16 o   45.883   18.743   13.404   34.015   23.469   44.750  -0.3680   52.348   53.862   21.680   50.608   22.055 3.254345 30.92659 
1 1 1   18  -11   17 o  166.257   11.819  357.115   48.750  395.221   73.154  326.673   65.384  171.777   17.289  156.196   17.039 15.58093 24.27432 
1 1 1   18  -11   18 o  106.706   14.097  151.074   36.643  146.676   52.740  155.177   50.948  101.431   21.490  105.168   20.133 -3.736275 29.44738 
1 1 1   18  -11   19 o  120.170   13.278  190.568   39.180  230.156   56.082  152.824   54.759  129.599   17.799  102.823   21.992 26.77563 28.29203 
1 1 1   18  -11   20 f   91.055   15.182  112.640   33.306  109.192   45.707  116.542   48.632   86.559   21.292   89.097   21.991 -2.537605 30.60997 
1 1 1   18  -11   21 o  170.506   20.185  412.393   84.277  466.076  160.093  391.813   99.124  153.924   40.939  160.716   25.554 -6.792145 48.25950 
1 1 1   18  -11   22 o   50.354   22.032   6.3307   52.712   94.818  134.916  -9.6102   57.264   80.842   35.314   48.769   22.039 32.07307 41.62662 
1 1 1   18  -11   23 o  104.352   26.253  177.314   68.352  299.425  154.318  147.510   76.238  111.213   41.457   91.873   29.394 19.34002 50.81993 
1 1 1   18  -11   24 o   99.928   26.682  168.882   67.834  371.051  153.799  120.056   75.582  121.407   41.841   81.794   29.239 39.61338 51.04457 
1 1 1   18  -10    0 o  522.795   16.594  3465.31  216.639  3668.72  309.719  3270.45  303.136  534.040   23.224  503.650   24.102 30.38959 33.47073 
1 1 1   18  -10    1 o  242.089   10.963  736.801   66.276  733.477   97.131  739.697   90.660  240.024   16.302  241.368   15.118 -1.344528 22.23261 
1 1 1   18  -10    2 o  242.791   11.242  741.462   68.159  694.233   99.512  783.198   93.547  233.182   17.211  248.343   15.157 -15.16049 22.93373 
1 1 1   18  -10    3 o  221.655   10.938  617.857   60.544  611.377   89.389  623.349   82.293  218.914   16.472  221.466   14.968 -2.551559 22.25714 
1 1 1   18  -10    4 o  113.616   12.533  164.655   34.968  231.739   54.726  118.371   45.457  134.104   16.704   94.532   19.886 39.57131 25.97097 
1 1 1   18  -10    5 o  231.863   11.163  676.585   64.636  696.206   95.677  660.113   87.666  233.559   16.511  227.687   15.511 5.871735 22.65380 
1 1 1   18  -10    6 o  275.899   11.608  958.883   79.974  941.225  116.975  974.382  109.587  271.354   17.353  276.609   15.932 -5.254730 23.55802 
1 1 1   18  -10    7 o  234.244   11.043  690.858   64.598  735.271   96.562  654.881   86.909  239.991   16.207  226.665   15.446 13.32652 22.38902 
1 1 1   18  -10    8 o  296.735   13.624  1114.19  100.953  1031.81  175.276  1155.08  123.494  280.045   25.338  300.776   16.505 -20.73065 30.23959 
1 1 1   18  -10    9 o  162.466   17.265  340.643   68.972  340.643   68.972   0.0000   0.0000  162.466   17.265  ?   ?  0.000000 17.26506 
1 1 1   18  -10   10 o   99.191   17.367  129.319   41.450  120.600  106.964  130.859   44.964   97.736   34.800   99.414   18.801 -1.677231 39.55345 
1 1 1   18  -10   11 o  211.065   16.962  574.091   88.647  623.806  145.335  544.638  111.866  214.755   27.749  203.217   22.417 11.53806 35.67275 
1 1 1   18  -10   12 o  169.798   11.134  365.977   46.950  358.445   72.129  371.514   61.847  165.997   17.672  170.060   14.708 -4.062485 22.99196 
1 1 1   18  -10   13 o  145.139   11.695  268.714   42.029  259.011   65.125  275.639   55.020  140.045   19.122  145.923   15.328 -5.878265 24.50687 
1 1 1   18  -10   14 o  164.520   11.416  345.097   46.611  391.443   71.745  311.249   61.314  173.269   16.792  154.609   16.118 18.66066 23.27566 
1 1 1   18  -10   15 o   44.650   17.498   16.621   28.402   34.988   45.075   4.5262   36.576   58.452   22.269   44.713   18.937 13.73890 29.23269 
1 1 1   18  -10   16 o   78.407   16.787   83.018   31.877   75.450   48.714   88.685   42.155   74.295   23.468   80.026   20.876 -5.731384 31.40913 
1 1 1   18  -10   17 o   46.847   18.883   15.977   33.996 -10.0154   44.147   53.851   53.289   44.535   19.795   66.486   24.440 -21.95135 31.45092 
1 1 1   18  -10   18 o  178.378   13.973  415.572   61.744  437.369   79.197  381.792   98.593  180.622   17.789  163.482   24.940 17.14000 30.63449 
1 1 1   18  -10   19 o  230.458   11.364  682.944   65.399  705.450   96.362  663.725   89.047  229.716   16.917  223.515   16.061 6.200760 23.32693 
1 1 1   18  -10   20 o  209.876   11.345  569.449   59.239  555.440   86.897  581.611   80.969  202.745   17.330  208.959   15.630 -6.213638 23.33725 
1 1 1   18  -10   21 o  165.818   11.774  358.022   48.438  407.239   70.063  312.960   67.040  173.703   16.344  150.809   18.167 22.89401 24.43732 
1 1 1   18  -10   22 o  136.384   12.726  245.393   42.840  270.214   59.206  218.115   62.067  140.148   17.283  123.186   20.925 16.96230 27.13979 
1 1 1   18  -10   23 o  166.830   20.590  400.143   83.960  443.888  161.204  383.860   98.353  145.417   42.025  157.754   25.863 -12.33662 49.34555 
1 1 1   18  -10   24 o   72.639   26.144   82.300   60.525  142.048  144.598   69.608   66.643   86.271   37.125   69.145   26.885 17.12559 45.83768 
1 1 1   18  -10   25 o   49.044   21.898   1.4376   54.666 -103.1993  141.728   19.725   59.250   59.158   28.919   54.371   23.580 4.786636 37.31419 
1 1 1   18   -9    0 o  624.985   28.864  5095.23  450.479  4864.12  635.272  5328.99  638.891  594.104   43.114  624.463   41.202 -30.35901 59.63534 
1 1 1   18   -9    1 o  377.250   19.293  1817.54  181.141  1781.12  254.057  1855.19  258.340  369.079   27.769  376.785   27.650 -7.706024 39.18676 
1 1 1   18   -9    2 o  361.745   18.725  1669.98  168.573  1586.80  236.560  1755.81  240.281  348.329   27.417  367.107   26.387 -18.77734 38.05210 
1 1 1   18   -9    3 o  149.138   15.316  284.250   56.230  264.493   76.806  307.071   82.547  141.951   22.411  153.232   22.221 -11.28131 31.55986 
1 1 1   18   -9    4 o  321.475   12.392  1301.93   99.483  1297.20  143.479  1306.32  138.057  318.808   18.097  320.217   17.329 -1.409607 25.05597 
1 1 1   18   -9    5 o  157.957   10.890  315.200   42.692  330.167   64.897  303.781   56.685  160.525   16.420  154.268   14.900 6.256500 22.17287 
1 1 1   18   -9    6 o  622.469   19.830  4955.62  308.246  5094.35  438.258  4819.80  433.629  623.657   28.141  606.102   28.650 17.55475 40.15852 
1 1 1   18   -9    7 o  179.133   11.004  405.246   48.984  410.174   74.241  401.446   65.187  178.891   16.816  177.468   14.845 1.422699 22.43170 
1 1 1   18   -9    8 o  297.389   14.257  1119.18  105.880  1037.83  199.307  1151.17  124.973  279.357   28.992  300.418   16.725 -21.06134 33.47055 
1 1 1   18   -9    9 o   76.578   16.872   77.487   31.393   97.035   49.198   64.061   40.773   85.140   22.718   70.224   21.353 14.91553 31.17823 
1 1 1   18   -9   10 o   71.021   17.196   66.866   30.172   59.220   48.788   71.601   38.395   69.538   23.574   73.462   20.269 -3.923973 31.08989 
1 1 1   18   -9   11 o  148.501   11.420  279.792   42.025  283.939   65.260  276.854   54.930  147.887   18.045  146.821   15.202 1.066757 23.59543 
1 1 1   18   -9   12 o  135.579   12.066  234.175   40.423  209.319   64.974  249.872   51.633  125.419   21.520  139.331   15.081 -13.91263 26.27838 
1 1 1   18   -9   13 o   95.657   23.001  124.535   54.267  193.646  106.597  100.357   63.049  116.450   34.324   86.326   26.610 30.12391 43.43073 
1 1 1   18   -9   14 o  230.214   11.296  670.856   64.941  625.672   96.269  708.585   87.971  219.525   17.712  234.910   15.076 -15.38557 23.25935 
1 1 1   18   -9   15 o   39.479   16.595   3.9106   27.749  -5.0530   43.575   10.025   35.989   46.019   20.087   46.318   19.139 -0.2987709 27.74470 
1 1 1   18   -9   16 o   76.182   17.027   78.099   31.577  130.431   49.432   42.022   41.042   97.667   20.899   59.900   21.532 37.76749 30.00669 
1 1 1   18   -9   17 o  105.298   13.584  144.558   34.885  117.116   54.525  163.577   45.392   91.237   23.714  110.907   16.926 -19.67019 29.13444 
1 1 1   18   -9   18 o  174.426   11.247  389.927   48.728  418.886   72.989  366.642   65.449  178.188   16.594  166.996   15.886 11.19200 22.97217 
1 1 1   18   -9   19 o  270.615   16.425  966.965  110.473  949.636  152.685  986.003  160.038  260.700   23.713  264.758   24.483 -4.058044 34.08410 
1 1 1   18   -9   20 o   71.160   19.168   70.812   34.824  101.440   41.891   2.2955   62.655   84.853   20.082   54.879   24.016 29.97366 31.30620 
1 1 1   18   -9   21 o   74.880   16.577   77.296   30.179   94.638   41.324   57.475   44.179   81.483   20.365   65.109   22.426 16.37363 30.29264 
1 1 1   18   -9   22 o  225.592   11.669  660.291   65.514  670.718   94.957  650.820   90.504  222.540   17.221  219.792   16.612 2.747604 23.92767 
1 1 1   18   -9   23 o  246.300   12.286  791.218   75.567  857.626  108.786  729.294  105.049  250.549   17.497  229.871   18.456 20.67799 25.43157 
1 1 1   18   -9   24 o   48.216   20.546   11.248   43.507 -43.8458  130.038   18.193   46.168   64.532   30.521   51.150   21.448 13.38253 37.30364 
1 1 1   18   -9   25 o   58.256   24.283   32.984   58.668   5.1589  145.992   38.343   64.069   70.479   33.020   60.826   25.367 9.653130 41.63956 
1 1 1   18   -9   26 o  114.565   25.412  211.822   70.797  577.277  166.710  131.413   78.198  163.616   40.911   85.501   29.814 78.11507 50.62138 
1 1 1   18   -8    0 o   69.683   15.970   63.835   27.194   91.373   42.049   44.037   35.654   83.040   20.420   60.361   20.154 22.67884 28.69090 
1 1 1   18   -8    1 o  170.111   10.809  364.969   45.678  366.711   67.422  363.490   62.103  169.489   16.124  169.015   14.865 0.4742889 21.93088 
1 1 1   18   -8    2 o  185.628   10.718  434.292   49.473  390.696   72.569  472.147   67.623  174.804   16.833  192.932   14.134 -18.12766 21.97973 
1 1 1   18   -8    3 o  211.188   10.759  561.810   56.554  610.790   83.428  520.168   76.925  219.261   15.334  202.257   15.345 17.00337 21.69285 
1 1 1   18   -8    4 o  162.207   14.905  335.262   59.700  318.062   81.974  354.687   87.117  156.239   21.587  165.113   21.650 -8.873672 30.57361 
1 1 1   18   -8    5 o  270.776   16.028  931.934  107.897  895.299  150.790  970.371  154.455  262.851   23.211  273.900   22.789 -11.04886 32.52818 
1 1 1   18   -8    6 o  316.873   17.366  1279.37  136.889  1282.96  192.945  1275.74  194.243  314.086   24.802  313.068   25.056 1.018341 35.25523 
1 1 1   18   -8    7 o  474.306   18.425  2866.32  218.229  2639.05  378.017  2979.94  267.264  443.146   34.430  481.422   22.231 -38.27640 40.98353 
1 1 1   18   -8    8 o  192.782   16.132  474.677   76.946  474.677   76.946   0.0000   0.0000  192.782   16.132  ?   ?  0.000000 16.13155 
1 1 1   18   -8    9 o  296.909   12.054  1111.03   89.375  1067.71  129.846  1150.03  123.205  288.857   18.092  300.434   16.485 -11.57712 24.47627 
1 1 1   18   -8   10 o  126.208   11.934  202.531   37.165  231.333   57.845  182.283   48.501  133.599   17.780  118.581   16.853 15.01865 24.49797 
1 1 1   18   -8   11 o  283.832   11.752  1015.83   83.296  1016.99  121.635  1014.80  114.302  281.867   17.365  281.972   16.303 -0.1051941 23.81862 
1 1 1   18   -8   12 f  170.768   11.217  369.167   47.566  322.912   72.568  404.010   62.984  157.667   18.802  177.942   14.295 -20.27585 23.61899 
1 1 1   18   -8   13 o  253.935   11.353  813.817   71.991  840.974  107.019  791.370   97.294  255.992   16.835  248.720   15.746 7.272339 23.05126 
1 1 1   18   -8   14 o  216.336   11.012  592.396   59.292  606.953   89.052  580.805   79.466  217.159   16.546  212.959   15.040 4.199509 22.35986 
1 1 1   18   -8   15 o  150.580   17.309  295.378   63.904  381.546  115.562  257.421   76.698  165.892   28.949  138.269   23.023 27.62383 36.98751 
1 1 1   18   -8   16 o  106.128   16.166  147.919   41.489  127.398   54.831  175.406   63.458   96.237   23.108  113.202   23.227 -16.96498 32.76368 
1 1 1   18   -8   17 o  137.764   11.623  242.858   39.614  285.155   61.465  212.806   51.810  147.442   17.006  127.237   16.710 20.20444 23.84138 
1 1 1   18   -8   18 o  197.230   11.242  496.538   55.141  508.036   82.987  487.449   73.783  196.769   17.058  193.586   15.390 3.183350 22.97412 
1 1 1   18   -8   19 o  287.494   12.390  1059.48   88.949  1027.65  129.815  1087.65  122.124  277.960   18.813  287.521   17.086 -9.561127 25.41369 
1 1 1   18   -8   20 o  195.685   11.489  492.067   55.895  521.398   83.023  467.749   75.594  198.238   16.934  188.139   16.250 10.09914 23.46902 
1 1 1   18   -8   21 o  185.033   15.028  451.171   68.839  460.742   91.573  438.734  104.386  183.108   20.372  175.204   24.531 7.904373 31.88747 
1 1 1   18   -8   22 o  123.670   13.074  200.773   39.764  226.389   55.963  174.654   56.510  128.824   17.878  111.057   21.149 17.76777 27.69299 
1 1 1   18   -8   23 o  165.760   12.063  357.880   49.589  405.006   70.988  312.968   69.301  173.287   16.608  150.593   18.841 22.69392 25.11563 
1 1 1   18   -8   24 o   81.881   16.300   92.684   32.157  109.847   41.380   66.519   51.092   87.739   19.402   68.582   24.088 19.15691 30.93003 
1 1 1   18   -8   25 o  114.618   13.110  174.923   36.848  182.186   48.407  164.916   56.821  114.365   17.507  105.447   22.277 8.918755 28.33277 
1 1 1   18   -8   26 o  113.724   21.825  192.690   59.726  247.274  155.061  183.181   64.720  103.565   40.792  108.532   24.465 -4.967262 47.56559 
1 1 1   18   -8   27 o   62.041   25.302   48.090   61.866 -67.7208  151.766   71.169   67.750   63.754   30.883   68.871   27.015 -5.116875 41.03141 
1 1 1   18   -7    0 o  317.741   12.440  1270.34   98.703  1253.04  141.199  1286.86  138.028  313.732   18.100  318.169   17.439 -4.436798 25.13379 
1 1 1   18   -7    1 o  201.392   10.473  510.588   52.490  503.961   76.562  516.466   72.104  199.108   15.521  201.824   14.401 -2.716064 21.17284 
1 1 1   18   -7    2 o  198.298   10.775  495.344   53.157  473.223   77.720  514.788   72.865  192.704   16.304  201.439   14.584 -8.734848 21.87457 
1 1 1   18   -7    3 o  146.673   10.997  271.797   39.987  273.873   59.219  270.058   54.212  146.174   16.513  145.439   15.149 0.7354736 22.40914 
1 1 1   18   -7    4 o  309.366   11.980  1204.13   92.547  1260.80  133.505  1151.71  128.406  314.903   17.041  300.893   17.160 14.01001 24.18397 
1 1 1   18   -7    5 o  312.408   12.059  1228.25   94.077  1241.58  135.896  1215.98  130.367  312.283   17.497  309.223   16.947 3.060425 24.35884 
1 1 1   18   -7    6 o  348.884   12.680  1533.38  110.474  1573.33  159.292  1496.35  153.344  351.302   18.220  342.669   17.983 8.633087 25.60015 
1 1 1   18   -7    7 o  212.736   21.950  586.196  114.934   0.0000   0.0000  586.196  114.934  ?   ?   212.736   21.950 0.000000 21.95047 
1 1 1   18   -7    8 o  126.350   16.123  205.483   49.712  215.708   69.168  194.559   71.496  127.829   22.490  120.695   24.557 7.134224 33.29906 
1 1 1   18   -7    9 o  189.169   10.965  451.549   51.573  489.043   78.150  422.623   68.643  195.732   16.132  182.087   15.236 13.64491 22.19000 
1 1 1   18   -7   10 o  115.128   12.515  169.036   35.400  190.277   54.757  153.783   46.401  120.786   18.763  108.589   17.723 12.19790 25.80992 
1 1 1   18   -7   11 f  287.161   11.620  1038.77   83.326  1107.01  122.086  979.257  114.010  294.632   16.662  277.094   16.552 17.53775 23.48585 
1 1 1   18   -7   12 f  371.075   13.261  1740.34  122.886  1870.81  177.331  1619.80  170.447  382.519   18.564  355.122   19.293 27.39719 26.77402 
1 1 1   18   -7   13 o   59.903   17.879   46.493   28.780   56.620   45.965   39.964   36.910   67.893   22.883   58.641   20.481 9.251537 30.70962 
1 1 1   18   -7   14 o  308.203   11.926  1199.74   91.788  1313.22  134.631  1101.19  125.468  320.198   16.897  292.992   17.224 27.20511 24.12868 
1 1 1   18   -7   15 o  258.502   11.395  844.099   73.558  818.716  108.043  866.030  100.426  252.166   17.262  260.121   15.531 -7.954987 23.22037 
1 1 1   18   -7   16 o  300.813   12.085  1146.56   90.780  1158.61  132.625  1135.93  124.522  299.359   17.822  296.936   16.863 2.422363 24.53504 
1 1 1   18   -7   17 o  120.806   19.297  194.060   56.255  231.051  108.291  180.389   65.835  125.735   33.773  114.711   23.764 11.02428 41.29545 
1 1 1   18   -7   18 o  116.445   14.908  176.764   42.354  165.055   54.781  194.163   66.779  110.425   20.625  118.841   23.335 -8.415726 31.14301 
1 1 1   18   -7   19 o  331.695   12.485  1405.59  103.417  1445.82  151.113  1370.14  141.836  331.679   18.316  323.454   17.626 8.224823 25.41950 
1 1 1   18   -7   20 o   75.896   15.854   77.510   29.078   91.979   43.654   65.971   38.985   81.269   21.265   69.484   20.825 11.78469 29.76323 
1 1 1   18   -7   21 o   40.882   16.406   11.986   25.541   36.627   35.532 -14.3575   36.739   55.473   20.023   39.330   17.724 16.14359 26.74048 
1 1 1   18   -7   22 o  113.160   12.670  167.246   35.189  188.701   50.069  146.305   49.466  118.068   17.513  102.490   20.046 15.57846 26.61819 
1 1 1   18   -7   23 o  180.043   15.269  429.700   68.003  465.011   88.561  378.968  106.152  184.022   19.572  159.091   27.728 24.93166 33.93967 
1 1 1   18   -7   24 o  162.921   12.203  345.895   49.285  356.830   69.539  334.859   69.860  162.054   17.459  156.384   18.231 5.670563 25.24310 
1 1 1   18   -7   25 o  137.262   12.142  246.775   41.189  207.126   55.368  295.905   61.634  121.810   18.808  147.206   17.084 -25.39613 25.40878 
1 1 1   18   -7   26 o   61.295   17.386   52.996   27.840   55.097   33.508   48.314   50.028   62.290   19.432   61.595   23.462 0.6955795 30.46433 
1 1 1   18   -7   27 o   43.553   16.574   20.721   24.948   24.850   28.395   6.7477   52.237   46.715   17.704   50.137   21.935 -3.421967 28.18864 
1 1 1   18   -7   28 o   53.267   23.661   7.7835   62.978   0.0000   0.0000   7.7835   62.978  ?   ?    53.267   23.661 0.000000 23.66113 
1 1 1   18   -6    0 o  211.803   10.484  563.105   55.454  603.444   80.789  527.168   76.254  218.175   14.918  203.816   15.089 14.35854 21.21871 
1 1 1   18   -6    1 o  238.794   10.680  715.970   63.687  705.206   92.271  725.764   88.015  235.712   15.767  239.367   14.797 -3.655579 21.62282 
1 1 1   18   -6    2 o  448.766   15.278  2543.82  171.209  2622.04  243.559  2467.42  240.717  453.052   21.528  439.298   21.943 13.75397 30.74016 
1 1 1   18   -6    3 o  381.867   13.489  1837.51  128.633  1884.34  183.667  1792.43  180.210  384.937   19.107  374.891   19.315 10.04572 27.16908 
1 1 1   18   -6    4 o  243.218   10.817  743.055   65.699  741.859   95.259  744.140   90.731  241.691   15.871  242.264   15.072 -0.5727539 21.88765 
1 1 1   18   -6    5 o  279.001   11.534  978.686   80.358  982.857  116.173  974.860  111.273  278.032   16.812  277.085   16.152 0.9464111 23.31310 
1 1 1   18   -6    6 o   99.170   17.484  128.309   41.715   0.0000   0.0000  128.309   41.715  ?   ?    99.170   17.484 0.000000 17.48363 
1 1 1   18   -6    7 o  235.586   15.744  705.345   92.090  705.345   92.090   0.0000   0.0000  235.586   15.744  ?   ?  0.000000 15.74413 
1 1 1   18   -6    8 o  440.782   14.800  2455.60  162.906  2560.51  232.843  2355.02  228.000  447.446   20.839  428.894   21.288 18.55212 29.78979 
1 1 1   18   -6    9 f  176.287   10.731  392.014   47.015  423.615   70.700  366.960   62.952  182.262   15.686  169.700   15.010 12.56195 21.71084 
1 1 1   18   -6   10 o  187.447   14.719  446.987   68.346  454.396   95.996  439.371   97.329  187.287   20.881  183.898   21.606 3.388687 30.04706 
1 1 1   18   -6   11 o  208.761   14.812  554.169   76.717  456.594  107.556  655.225  109.457  186.727   23.593  225.621   19.623 -38.89388 30.68656 
1 1 1   18   -6   12 o  191.677   10.883  463.690   51.879  431.078   77.373  490.328   69.927  183.340   17.097  196.363   14.360 -13.02309 22.32758 
1 1 1   18   -6   13 o  159.603   10.939  322.112   43.337  338.599   66.941  310.216   56.861  162.320   16.756  155.798   14.792 6.521805 22.35113 
1 1 1   18   -6   14 o  200.954   10.829  509.964   54.139  476.215   81.013  537.199   72.776  192.566   17.022  205.428   14.275 -12.86147 22.21589 
1 1 1   18   -6   15 o  163.266   10.867  337.387   44.053  348.253   67.942  329.505   57.865  164.382   16.787  160.469   14.600 3.912506 22.24771 
1 1 1   18   -6   16 o  188.464   10.603  449.248   49.698  526.134   76.046  391.929   65.660  202.712   15.132  174.784   15.195 27.92850 21.44397 
1 1 1   18   -6   17 o  218.961   10.819  605.583   59.158  678.669   88.640  546.886   79.437  229.916   15.530  206.284   15.535 23.63197 21.96599 
1 1 1   18   -6   18 o   49.124   17.260   27.902   26.231   33.605   42.585   24.415   33.298   57.518   21.710   50.389   19.154 7.129559 28.95132 
1 1 1   18   -6   19 f  277.190   17.302  999.594  119.163  1171.07  186.390  881.056  154.970  293.218   25.715  254.973   24.646 38.24527 35.61905 
1 1 1   18   -6   20 f  100.117   16.091  132.757   38.868  171.511   50.200   74.753   61.415  113.191   18.391   75.833   26.422 37.35771 32.19274 
1 1 1   18   -6   21 o  145.780   11.582  272.908   41.815  279.356   62.304  267.623   56.406  144.979   17.568  142.535   16.131 2.444702 23.85055 
1 1 1   18   -6   22 o  262.702   11.542  883.574   75.718  772.097  110.408  982.561  104.039  240.343   18.539  274.134   15.258 -33.79095 24.01059 
1 1 1   18   -6   23 o  172.923   10.758  383.931   46.225  245.522   66.109  516.333   64.658  133.237   20.529  199.379   13.059 -66.14200 24.33007 
1 1 1   18   -6   24 o   57.894   17.662   45.553   27.860   69.115   36.923   14.403   42.454   70.079   20.072   49.658   20.675 20.42131 28.81547 
1 1 1   18   -6   25 o  183.764   15.013  448.374   68.293  421.290   85.679  495.562  113.091  174.134   20.071  183.845   25.304 -9.710999 32.29747 
1 1 1   18   -6   26 o  102.620   13.698  140.445   34.226  134.047   44.145  150.084   54.191   97.622   18.791  101.439   22.024 -3.817947 28.95070 
1 1 1   18   -6   27 o   81.346   15.782   91.481   30.903   84.455   37.995  105.214   53.119   76.279   19.780   82.948   24.168 -6.669235 31.23056 
1 1 1   18   -6   28 o   67.175   24.198   65.818   51.862 -140.0923  158.874   90.377   54.868   61.820   30.305   76.120   24.983 -14.29978 39.27476 
1 1 1   18   -6   29 o   49.672   17.236   32.964   26.120   35.444   28.501   19.957   65.282   51.358   17.994   56.393   24.601 -5.035000 30.47914 
1 1 1   18   -5    0 o  349.969   12.979  1541.33  113.430  1473.87  161.246  1607.41  159.595  340.182   19.058  355.665   18.028 -15.48242 26.23389 
1 1 1   18   -5    1 o  256.973   10.691  828.989   68.604  896.903   99.271  766.902   94.918  266.189   14.995  245.954   15.534 20.23509 21.59079 
1 1 1   18   -5    2 o  303.984   11.760  1161.48   89.275  1183.08  128.502  1141.33  124.119  305.267   16.923  299.899   16.639 5.368286 23.73265 
1 1 1   18   -5    3 o  313.220   12.251  1233.97   95.825  1220.51  136.753  1246.96  134.316  309.782   17.752  313.293   17.235 -3.510895 24.74178 
1 1 1   18   -5    4 o  207.072   10.528  539.706   54.260  521.953   78.878  555.652   74.758  202.630   15.711  209.400   14.384 -6.770355 21.30110 
1 1 1   18   -5    5 f  109.587   11.984  152.797   32.262  174.763   48.869  135.829   42.952  116.204   17.374  102.146   17.466 14.05837 24.63604 
1 1 1   18   -5    6 o  139.859   11.211  247.361   38.827  263.339   58.245  234.583   52.089  143.301   16.583  135.339   15.704 7.961990 22.83896 
1 1 1   18   -5    7 o  396.135   13.927  1979.28  137.774  2013.57  196.829  1946.34  192.913  397.500   19.829  390.327   19.857 7.172699 28.06240 
1 1 1   18   -5    8 o  234.775   10.902  692.602   63.919  713.764   93.580  674.094   87.514  236.978   15.906  230.424   15.296 6.553970 22.06693 
1 1 1   18   -5    9 o  308.963   11.905  1201.17   91.850  1272.70  132.975  1135.91  127.019  316.363   16.893  298.764   17.096 17.59952 24.03439 
1 1 1   18   -5   10 o  213.870   10.794  576.311   57.462  549.028   84.864  599.409   78.086  207.473   16.517  217.357   14.469 -9.883911 21.95799 
1 1 1   18   -5   11 o  268.837   11.083  908.883   74.402  958.814  108.938  865.229  101.860  274.634   15.953  260.915   15.707 13.71930 22.38764 
1 1 1   18   -5   12 o  107.444   17.057  150.090   44.236  139.535   62.268  160.844   62.855  101.884   24.725  109.686   23.644 -7.802055 34.21062 
1 1 1   18   -5   13 o   78.038   19.019   80.803   36.724   51.463   50.049  115.027   54.055   67.132   23.815   92.634   23.369 -25.50171 33.36554 
1 1 1   18   -5   14 o   46.226   16.809   22.463   25.108   26.976   40.187   19.574   32.156   54.753   20.988   48.304   18.705 6.448513 28.11313 
1 1 1   18   -5   15 o  285.365   11.849  1027.00   84.437  1031.26  123.456  1023.25  115.741  283.786   17.506  283.093   16.443 0.6932373 24.01766 
1 1 1   18   -5   16 o  287.379   11.799  1042.39   84.672  1043.40  124.123  1041.51  115.798  285.181   17.514  285.427   16.314 -0.2452698 23.93510 
1 1 1   18   -5   17 f  327.193   12.341  1354.34  100.831  1400.66  146.839  1313.01  138.702  329.938   17.889  319.653   17.442 10.28528 24.98476 
1 1 1   18   -5   18 o  261.246   11.226  862.689   73.236  931.370  108.341  804.898   99.381  269.230   16.190  250.311   15.983 18.91919 22.74971 
1 1 1   18   -5   19 o  194.964   10.712  482.062   51.951  468.226   77.983  493.103   69.660  190.097   16.594  196.008   14.331 -5.911026 21.92569 
1 1 1   18   -5   20 o  266.578   11.602  902.498   77.235  836.000  113.225  960.369  105.625  253.009   18.039  272.757   15.572 -19.74753 23.83036 
1 1 1   18   -5   21 o   51.613   21.259   15.055   44.216 -83.9899  108.169   34.925   48.449   59.994   28.209   59.510   22.983 0.4846611 36.38608 
1 1 1   18   -5   22 o  259.220   13.806  867.899   89.047  939.609  112.473  747.447  145.769  267.540   16.922  231.324   25.667 36.21695 30.74339 
1 1 1   18   -5   23 o  142.933   11.462  262.973   40.567  210.171   59.053  310.156   55.823  124.058   19.722  153.872   14.707 -29.81388 24.60188 
1 1 1   18   -5   24 o   63.358   17.020   55.029   27.502   54.494   36.344   55.747   42.069   63.404   20.296   64.666   21.891 -1.261547 29.85208 
1 1 1   18   -5   25 o  115.709   12.669  175.214   36.008  142.471   49.452  212.163   52.533  100.646   20.375  125.162   17.267 -24.51610 26.70779 
1 1 1   18   -5   26 o   94.491   14.357  119.499   32.811  134.429   42.778   98.167   51.135   98.561   18.046   81.669   23.688 16.89240 29.77880 
1 1 1   18   -5   27 o   53.478   18.413   37.243   29.781   41.675   31.812   5.8173   84.706   55.999   19.036   61.443   27.359 -5.444378 33.32956 
1 1 1   18   -5   28 o   39.976   15.881   13.669   23.692   14.555   27.221   10.901   48.107   42.133   16.927   50.102   21.484 -7.969765 27.35068 
1 1 1   18   -5   29 o   37.926   15.408   10.490   22.831   1.2387   25.360   50.061   52.451   35.892   15.496   61.992   23.921 -26.10008 28.50203 
1 1 1   18   -4    0 o  173.629   15.866  383.778   68.033  216.585  107.434  495.713   87.905  126.261   33.515  197.005   18.070 -70.74373 38.07599 
1 1 1   18   -4    1 o  165.847   14.289  349.148   58.599  506.425   98.590  263.237   72.866  198.580   20.161  142.290   21.150 56.29037 29.21999 
1 1 1   18   -4    2 o  145.157   15.070  268.638   53.829  298.783   91.587  252.730   66.534  150.604   25.246  139.736   19.607 10.86781 31.96555 
1 1 1   18   -4    3 o  182.451   10.371  419.088   47.055  419.258   68.576  418.936   64.685  181.623   15.262  181.734   14.371 -0.1113892 20.96260 
1 1 1   18   -4    4 o  349.311   12.473  1534.95  108.802  1561.40  155.266  1509.44  152.509  350.526   17.796  344.634   17.781 5.891785 25.15739 
1 1 1   18   -4    5 f  184.893   14.437  433.740   66.127   0.0000   0.0000  433.740   66.127  ?   ?   184.893   14.437 0.000000 14.43662 
1 1 1   18   -4    6 o  164.547   15.388  344.937   62.495  344.937   62.495   0.0000   0.0000  164.547   15.388  ?   ?  0.000000 15.38776 
1 1 1   18   -4    7 o  413.600   14.416  2158.48  148.893  2172.21  212.296  2145.19  208.878  412.671   20.601  410.183   20.392 2.487610 28.98687 
1 1 1   18   -4    8 o  410.907   14.349  2130.64  147.238  2114.58  209.957  2146.18  206.536  406.531   20.751  410.303   20.158 -3.771667 28.92969 
1 1 1   18   -4    9 o  370.533   13.292  1730.27  122.985  1717.10  175.958  1742.85  171.965  366.775   19.279  369.765   18.684 -2.990479 26.84726 
1 1 1   18   -4   10 o  290.095   11.671  1058.51   84.546  1014.25  122.211  1099.13  117.086  282.187   17.428  294.248   15.995 -12.06100 23.65527 
1 1 1   18   -4   11 o  212.073   10.418  564.953   55.174  567.375   81.198  562.875   75.203  211.214   15.503  210.638   14.383 0.5758820 21.14755 
1 1 1   18   -4   12 o   53.216   16.755   35.539   24.848   36.464   39.444   34.931   31.994   58.220   21.084   55.005   19.076 3.214943 28.43259 
1 1 1   18   -4   13 o  137.661   10.900  239.755   37.164  266.417   57.143  220.210   48.925  144.094   16.159  131.052   15.234 13.04201 22.20770 
1 1 1   18   -4   14 o   80.962   14.594   85.377   28.421   81.149   45.368   88.109   36.463   78.351   22.184   81.595   18.341 -3.244095 28.78408 
1 1 1   18   -4   15 o   95.929   16.780  120.257   38.734  112.844   54.544  127.798   55.015   91.685   23.663   97.619   22.954 -5.934372 32.96693 
1 1 1   18   -4   16 o   81.759   18.876   88.849   37.758   57.951   53.781  118.883   53.023   70.278   24.712   94.053   22.810 -23.77527 33.63054 
1 1 1   18   -4   17 o  117.254   11.768  175.180   33.993  216.097   53.953  148.246   43.773  129.042   17.169  106.541   17.026 22.50121 24.18002 
1 1 1   18   -4   18 o  154.010   10.904  300.633   41.663  266.309   64.295  325.480   54.703  142.891   18.449  159.568   13.866 -16.67754 23.07917 
1 1 1   18   -4   19 o  328.110   12.328  1364.12  101.008  1489.20  147.258  1252.99  138.809  339.961   17.404  311.472   17.922 28.48917 24.98209 
1 1 1   18   -4   20 o  138.125   11.196  243.045   38.286  202.155   58.461  273.752   50.661  123.297   19.647  145.838   14.086 -22.54158 24.17473 
1 1 1   18   -4   21 o   90.549   13.833  107.071   30.286   81.755   46.283  126.029   40.052   77.475   22.555   97.399   17.090 -19.92403 28.29868 
1 1 1   18   -4   22 o  157.793   10.824  317.591   42.393  298.425   63.554  332.955   56.901  150.533   17.216  160.322   14.365 -9.788315 22.42231 
1 1 1   18   -4   23 o   70.299   23.641   65.526   49.060   86.646  118.947   61.196   53.854   87.302   35.274   69.472   24.697 17.82996 43.06052 
1 1 1   18   -4   24 o  208.600   11.059  557.332   57.402  422.642   82.686  682.630   79.752  177.239   18.977  229.226   13.999 -51.98689 23.58197 
1 1 1   18   -4   25 o  116.314   12.172  175.898   34.829  134.125   47.723  223.508   50.948   98.059   20.162  129.471   16.106 -31.41187 25.80561 
1 1 1   18   -4   26 o  132.351   11.655  227.144   38.128  185.669   51.713  276.546   56.439  116.383   18.406  143.915   15.974 -27.53210 24.37082 
1 1 1   18   -4   27 o   45.011   19.739  -2.0797   42.523   0.0000   0.0000  -2.0797   42.523  ?   ?    45.011   19.739 0.000000 19.73918 
1 1 1   18   -4   28 o   54.080   18.527   38.331   30.137   40.627   31.702   16.781   97.125   55.479   19.002   66.329   29.427 -10.84958 35.02915 
1 1 1   18   -4   29 o   51.384   18.034   34.031   28.634   31.934   29.647   63.174  110.497   50.637   18.288   75.066   32.378 -24.42842 37.18561 
1 1 1   18   -4   30 o  105.732   14.179  151.524   36.493  146.434   44.697  161.704   63.204  101.368   18.332  101.368   25.101 0.8392334E-04 31.08232 
1 1 1   18   -3    0 o  138.621   15.947  245.702   54.197   99.646   88.876  332.165   68.382   91.370   31.788  161.164   17.260 -69.79430 36.17159 
1 1 1   18   -3    1 o   99.255   17.596  128.279   42.016   81.858   77.770  147.412   49.929   84.092   29.702  106.151   19.556 -22.05868 35.56169 
1 1 1   18   -3    2 o  141.661   14.841  255.746   51.720  329.197   88.859  218.114   63.604  158.941   23.061  129.487   20.340 29.45358 30.75009 
1 1 1   18   -3    3 o  178.712   14.927  405.583   66.005  395.885  105.498  411.820   84.611  173.958   25.004  179.120   19.216 -5.162094 31.53541 
1 1 1   18   -3    4 o  271.620   16.433  936.095  110.935  931.991  166.485  939.373  148.775  268.194   25.152  270.328   22.236 -2.134125 33.57204 
1 1 1   18   -3    5 o  170.514   15.293  369.911   64.428  346.525  103.819  384.558   82.164  161.985   26.588  172.942   19.357 -10.95694 32.88820 
1 1 1   18   -3    6 o   64.395   20.068   52.530   35.750   54.097   73.088   52.037   40.988   74.874   28.397   65.276   21.601 9.597733 35.67936 
1 1 1   18   -3    7 o  150.222   12.040  285.564   44.788  290.892   58.590  278.073   69.470  150.919   15.780  146.665   19.447 4.254181 25.04386 
1 1 1   18   -3    8 o  347.769   12.875  1522.68  111.813  1478.22  159.308  1565.84  156.973  340.573   18.805  350.853   17.977 -10.28036 26.01491 
1 1 1   18   -3    9 o  135.090   11.085  230.804   37.066  187.828   55.775  264.796   49.604  120.103   19.247  144.261   13.943 -24.15763 23.76645 
1 1 1   18   -3   10 o  200.837   10.731  508.076   53.624  484.439   78.527  528.728   73.403  194.979   16.277  204.167   14.491 -9.188232 21.79289 
1 1 1   18   -3   11 o  155.478   10.495  304.963   40.511  287.667   61.049  318.571   54.152  149.811   16.597  158.338   13.834 -8.527557 21.60704 
1 1 1   18   -3   12 f  249.244   10.868  780.706   67.646  801.012   99.381  763.176   92.338  251.051   15.935  245.234   15.152 5.816742 21.98891 
1 1 1   18   -3   13 o  115.228   11.600  168.698   32.925  147.726   50.511  184.193   43.417  105.980   19.814  119.835   14.825 -13.85440 24.74650 
1 1 1   18   -3   14 o  137.464   10.894  239.049   37.091  245.931   57.308  234.088   48.656  138.194   16.963  135.311   14.633 2.882568 22.40182 
1 1 1   18   -3   15 o  220.113   10.480  609.040   57.607  629.552   86.357  592.593   77.327  222.346   15.653  216.011   14.418 6.334961 21.28137 
1 1 1   18   -3   16 o  174.871   10.517  385.932   45.713  393.375   69.626  380.293   60.605  175.324   16.082  172.836   14.166 2.487961 21.43176 
1 1 1   18   -3   17 o  340.766   17.951  1486.52  152.214  1455.38  215.214  1517.69  215.313  332.653   26.118  340.108   25.538 -7.454803 36.52823 
1 1 1   18   -3   18 o  190.245   14.168  461.299   66.828  517.178   95.599  407.898   93.454  199.787   19.407  176.409   21.670 23.37772 29.08956 
1 1 1   18   -3   19 o  425.703   14.739  2305.04  156.680  2387.38  225.027  2227.56  218.284  429.205   20.995  413.981   21.186 15.22455 29.82689 
1 1 1   18   -3   20 o  292.106   11.680  1079.59   85.196  1138.17  125.140  1028.98  116.314  297.343   16.923  282.869   16.538 14.47412 23.66260 
1 1 1   18   -3   21 o  226.217   10.856  647.357   61.328  623.222   91.193  667.285   82.866  219.418   16.770  228.035   14.629 -8.617538 22.25430 
1 1 1   18   -3   22 o  220.803   10.652  617.571   58.734  572.246   87.163  655.268   79.491  209.741   16.782  225.796   14.170 -16.05521 21.96412 
1 1 1   18   -3   23 o   70.427   16.048   66.658   27.594   94.755   40.555   42.438   37.654   83.197   19.806   59.048   20.683 24.14845 28.63620 
1 1 1   18   -3   24 o   48.969   17.392   28.034   26.700   27.789   37.317   28.291   38.219   52.782   20.226   53.308   20.459 -0.5258675 28.76928 
1 1 1   18   -3   25 o   73.916   23.764   75.675   49.784   16.063  122.377   87.497   54.498   75.108   33.191   78.737   24.816 -3.629486 41.44261 
1 1 1   18   -3   26 o  131.663   11.865  224.506   38.593  202.757   54.211  246.854   54.953  122.108   18.346  135.920   16.531 -13.81181 24.69477 
1 1 1   18   -3   27 o  223.208   14.602  654.997   80.944  633.013  190.377  659.848   89.430  189.427   41.402  222.770   16.187 -33.34297 44.45351 
1 1 1   18   -3   28 o   68.697   17.563   65.819   30.245   72.891   35.059   45.237   59.806   71.835   19.183   63.938   25.286 7.896538 31.73859 
1 1 1   18   -3   29 o  116.370   13.104  179.118   37.418  191.406   48.538  161.119   58.745  118.245   16.920  104.477   23.127 13.76826 28.65613 
1 1 1   18   -3   30 o   53.386   18.141   38.004   28.892   36.394   29.839   62.168  115.599   52.777   18.416   75.478   32.835 -22.70106 37.64676 
1 1 1   18   -3   31 o  105.770   16.996  156.656   43.371  161.036   45.680  116.591  138.156  106.755   17.759   83.512   36.112 23.24288 40.24274 
1 1 1   18   -2    0 o   68.241   14.585   60.884   24.100   60.021   36.305   61.564   32.224   68.148   20.016   68.555   18.427 -0.4071579 27.20611 
1 1 1   18   -2    1 o   99.434   11.587  125.824   28.231  109.192   42.460  139.002   37.794   91.120   19.263  103.968   14.990 -12.84801 24.40840 
1 1 1   18   -2    2 o  146.517   10.342  270.624   37.597  268.478   55.297  272.470   51.271  145.071   15.504  146.404   14.203 -1.332809 21.02597 
1 1 1   18   -2    3 o  164.873   10.416  342.396   42.665  304.690   61.978  376.359   58.821  154.467   16.314  172.347   13.783 -17.88045 21.35687 
1 1 1   18   -2    4 o  262.571   12.932  867.381   84.796  1022.13  160.220  807.168   99.940  281.887   22.961  252.315   15.944 29.57262 27.95325 
1 1 1   18   -2    5 o  184.180   12.289  428.370   56.196  424.572   68.070  436.499   99.583  182.848   15.041  183.662   22.161 -0.8143616 26.78298 
1 1 1   18   -2    6 o  176.759   10.686  393.617   46.945  365.569   69.541  417.100   63.632  169.218   16.673  181.381   14.161 -12.16269 21.87533 
1 1 1   18   -2    7 o  246.220   15.546  768.671   95.095  815.351  144.005  732.574  126.633  251.325   23.207  238.693   21.475 12.63284 31.61880 
1 1 1   18   -2    8 f  212.779   14.605  573.795   77.131  704.508  122.007  486.776   99.548  234.117   21.096  194.356   20.836 39.76041 29.65050 
1 1 1   18   -2    9 o  376.730   19.272  1809.28  180.696  1860.60  262.195  1762.86  249.371  377.809   27.990  368.068   27.326 9.741760 39.11720 
1 1 1   18   -2   10 o  235.384   12.725  699.450   74.517  666.937   94.061  754.246  122.111  228.959   16.563  242.447   20.358 -13.48865 26.24441 
1 1 1   18   -2   11 o   56.674   16.311   41.572   24.330   17.977   37.945   58.046   31.706   50.674   20.109   66.591   18.437 -15.91665 27.28195 
1 1 1   18   -2   12 o  215.452   10.303  582.852   55.435  629.025   82.159  544.265   75.108  222.674   14.861  207.115   14.616 15.55846 20.84353 
1 1 1   18   -2   13 o   83.242   13.786   89.664   27.653   97.927   43.370   84.004   35.896   85.907   20.502   79.742   18.401 6.165352 27.54839 
1 1 1   18   -2   14 o  222.642   10.636  622.870   59.134  605.994   87.391  637.122   80.312  218.132   16.158  224.132   14.426 -6.000290 21.66092 
1 1 1   18   -2   15 o  168.680   10.492  358.902   43.974  373.018   67.036  348.240   58.261  170.881   15.892  165.435   14.241 5.445755 21.33918 
1 1 1   18   -2   16 o  237.940   10.836  711.983   64.385  750.287   95.699  680.307   87.025  242.773   15.873  231.327   15.149 11.44571 21.94145 
1 1 1   18   -2   17 o  451.819   15.212  2587.22  171.629  2573.94  245.692  2599.88  239.852  447.051   22.008  449.697   21.359 -2.645966 30.66838 
1 1 1   18   -2   18 o  190.350   10.663  457.405   50.482  467.759   76.771  449.517   67.006  191.143   16.237  187.854   14.393 3.288620 21.69836 
1 1 1   18   -2   19 o  165.759   14.173  350.799   58.103  305.846   82.445  395.158   81.899  152.175   22.363  174.507   19.106 -22.33214 29.41291 
1 1 1   18   -2   20 o  428.682   21.153  2383.61  226.443  2279.43  320.011  2488.09  320.467  409.034   31.574  429.037   30.102 -20.00247 43.62394 
1 1 1   18   -2   21 o  226.471   10.873  647.868   61.492  628.862   91.735  663.376   82.865  220.797   16.763  227.656   14.654 -6.858780 22.26493 
1 1 1   18   -2   22 o   59.917   16.675   47.619   25.864   10.537   39.512   75.421   34.212   48.368   20.025   74.865   18.425 -26.49710 27.21172 
1 1 1   18   -2   23 o  158.390   10.681  319.239   42.001  314.219   62.871  323.284   56.444  155.154   16.479  158.181   14.449 -3.026947 21.91657 
1 1 1   18   -2   24 o  173.650   10.695  384.286   46.152  294.786   67.811  461.519   62.992  148.873   18.649  189.302   13.412 -40.42908 22.97152 
1 1 1   18   -2   25 o   35.223   14.884   2.5269   22.509 -15.0690   29.607   26.625   34.648   34.706   15.750   51.292   19.529 -16.58657 25.08829 
1 1 1   18   -2   26 o   43.013   16.835   16.052   26.263  -0.4158   35.467   36.045   39.078   42.266   18.287   56.298   20.886 -14.03182 27.76057 
1 1 1   18   -2   27 o  117.463   22.452  195.173   63.456   64.911  139.967  228.874   71.193   84.317   36.404  126.867   23.332 -42.54951 43.23928 
1 1 1   18   -2   28 o   82.368   15.204   91.620   30.121   90.117   38.279   94.064   48.808   80.096   19.354   80.634   23.072 -0.5376358 30.11463 
1 1 1   18   -2   29 o  128.113   12.139  214.278   38.373  192.561   51.169  242.186   58.006  118.483   17.848  133.051   17.914 -14.56774 25.28745 
1 1 1   18   -2   30 o   74.727   16.620   77.677   30.212  102.544   37.347   30.592   51.392   85.436   18.070   56.974   23.128 28.46181 29.34982 
1 1 1   18   -2   31 f  140.873   12.851  262.631   44.711  231.888   57.612  309.188   70.897  128.578   18.474  147.651   19.721 -19.07230 27.02228 
1 1 1   18   -2   32 o  111.551   17.376  174.967   46.827  171.965   49.427  201.274  146.314  109.618   18.729   96.454   39.069 13.16493 43.32655 
1 1 1   18   -1    0 o  292.886   11.771  1077.31   86.089  1042.80  122.674  1110.80  120.843  286.717   17.213  296.158   16.404 -9.441437 23.77790 
1 1 1   18   -1    1 o  236.389   10.295  700.853   60.770  697.318   87.400  704.161   84.553  234.741   14.988  236.010   14.416 -1.269424 20.79546 
1 1 1   18   -1    2 o  247.177   10.596  766.532   65.401  727.753   93.795  803.226   91.239  239.646   15.761  252.079   14.556 -12.43332 21.45452 
1 1 1   18   -1    3 o  412.655   16.390  2151.07  168.891  2160.58  292.012  2146.28  207.031  407.727   28.867  410.972   20.173 -3.244629 35.21703 
1 1 1   18   -1    4 o  306.343   16.791  1189.82  127.958  1189.82  127.958   0.0000   0.0000  306.343   16.791  ?   ?  0.000000 16.79060 
1 1 1   18   -1    5 o   71.459   14.811   66.728   25.562   37.302   38.491   89.946   34.191   58.386   20.866   82.852   17.093 -24.46598 26.97340 
1 1 1   18   -1    6 o  198.214   10.479  494.384   51.685  450.702   74.331  535.274   71.917  188.242   15.963  205.646   14.089 -17.40491 21.29138 
1 1 1   18   -1    7 o  165.235   10.454  343.990   42.915  303.639   62.812  379.315   58.771  154.101   16.583  173.010   13.716 -18.90814 21.52047 
1 1 1   18   -1    8 o   98.165   12.216  123.002   29.297   94.239   43.890  146.117   39.346   84.367   20.933  106.553   15.220 -22.18568 25.88072 
1 1 1   18   -1    9 o  264.323   10.941  877.419   72.219  851.139  104.033  901.864  100.334  258.967   16.168  266.867   15.118 -7.900452 22.13482 
1 1 1   18   -1   10 o  111.335   13.694  158.484   37.269  216.566   83.462  144.018   41.653  127.168   27.110  105.516   16.336 21.65169 31.65184 
1 1 1   18   -1   11 o  182.896   14.960  425.078   67.728  493.870  112.162  385.601   84.966  194.902   23.521  172.911   20.050 21.99103 30.90662 
1 1 1   18   -1   12 o  187.657   15.250  447.766   70.847  471.229  114.531  433.224   90.167  189.866   24.744  183.374   20.016 6.491104 31.82618 
1 1 1   18   -1   13 o   36.448   15.663  -1.6703   25.674   1.6702   38.198  -4.4228   34.674   45.516   19.319   41.627   18.046 3.888622 26.43653 
1 1 1   18   -1   14 o   81.734   14.051   86.617   27.646   85.914   43.808   87.083   35.639   80.537   21.413   81.256   18.035 -0.7185898 27.99572 
1 1 1   18   -1   15 o  158.018   10.509  315.060   41.231  320.794   62.340  310.601   54.972  158.390   15.980  156.209   14.249 2.180984 21.40993 
1 1 1   18   -1   16 o  347.266   12.707  1519.89  110.191  1538.45  159.231  1502.83  152.645  347.140   18.434  343.315   17.867 3.824432 25.67192 
1 1 1   18   -1   17 o  386.704   13.551  1888.08  130.862  1846.11  188.299  1927.30  181.995  379.453   19.942  388.734   18.748 -9.280731 27.37092 
1 1 1   18   -1   18 o  159.055   10.615  319.575   41.919  351.163   64.588  296.586   55.101  165.648   15.806  152.387   14.661 13.26036 21.55818 
1 1 1   18   -1   19 o  158.530   10.718  317.743   42.179  325.735   65.736  312.149   54.992  159.112   16.798  156.382   14.238 2.730042 22.02052 
1 1 1   18   -1   20 o  574.798   18.202  4231.79  261.266  4318.91  372.647  4147.57  366.405  573.188   26.035  561.604   26.126 11.58411 36.88341 
1 1 1   18   -1   21 o  226.777   14.784  657.094   83.264  775.876  117.879  538.819  117.627  244.534   19.465  201.570   23.830 42.96419 30.76923 
1 1 1   18   -1   22 o   58.985   19.209   43.883   32.461   43.456   43.683   44.409   48.510   61.734   22.211   63.502   23.322 -1.768242 32.20662 
1 1 1   18   -1   23 o  173.256   10.690  381.106   46.024  312.893   68.718  436.595   61.979  154.462   18.162  184.594   13.540 -30.13132 22.65398 
1 1 1   18   -1   24 o  392.411   13.446  1968.60  131.760  1965.67  190.113  1971.32  182.777  386.497   19.764  388.334   18.848 -1.837036 27.31035 
1 1 1   18   -1   25 o  186.277   10.453  441.756   48.426  431.070   71.618  450.757   65.729  181.714   15.944  186.670   14.207 -4.956161 21.35532 
1 1 1   18   -1   26 o   53.442   19.997   30.857   35.971   0.0000   0.0000   30.857   35.971  ?   ?    53.442   19.997 0.000000 19.99672 
1 1 1   18   -1   27 o  128.626   17.310  221.719   54.189  221.719   54.189   0.0000   0.0000  128.626   17.310  ?   ?  0.000000 17.30997 
1 1 1   18   -1   28 o   66.950   21.904   61.191   42.189  -7.7152  133.747   68.804   44.459   73.458   33.389   70.358   22.440 3.100426 40.22935 
1 1 1   18   -1   29 o  104.113   23.460  157.279   59.531  204.418  142.051  147.236   65.566  107.460   39.831   99.158   26.117 8.302811 47.62933 
1 1 1   18   -1   30 o  156.925   11.640  319.744   45.287  300.317   61.929  342.075   66.396  148.930   16.954  159.020   16.983 -10.08937 23.99685 
1 1 1   18   -1   31 o  133.028   12.256  232.183   40.256  210.147   51.831  265.688   63.910  123.664   17.254  137.949   19.062 -14.28554 25.71084 
1 1 1   18   -1   32 o  116.386   14.017  181.945   39.919  186.317   50.027  174.283   66.230  115.331   17.955  105.926   25.372 9.404900 31.08259 
1 1 1   18    0    0 o  257.100   11.135  829.550   71.492  806.574  101.966  851.765  100.264  252.281   16.272  259.443   15.547 -7.162720 22.50569 
1 1 1   18    0    1 o  356.377   13.083  1597.07  116.433  1540.95  165.430  1652.16  163.902  348.170   19.100  360.824   18.250 -12.65408 26.41696 
1 1 1   18    0    2 f  347.866   12.621  1521.06  109.633  1477.21  155.914  1563.95  154.189  341.072   18.374  351.642   17.559 -10.56976 25.41473 
1 1 1   18    0    3 o  246.773   10.971  764.260   67.608  747.126   97.020  780.435   94.264  242.764   16.095  248.322   15.275 -5.558594 22.18992 
1 1 1   18    0    4 o  183.764   10.409  424.954   47.571  358.465   68.548  486.724   66.071  167.653   16.591  196.200   13.569 -28.54762 21.43277 
1 1 1   18    0    5 o  199.044   10.577  498.490   52.385  462.263   75.360  532.364   72.871  190.699   15.972  205.078   14.319 -14.37872 21.45099 
1 1 1   18    0    6 o  265.626   11.204  885.924   74.316  799.681  106.016  969.247  104.205  250.895   17.022  276.799   15.133 -25.90390 22.77604 
1 1 1   18    0    7 o   95.107   11.895  115.406   27.634   82.249   40.545  144.169   37.763   78.948   20.414  105.961   14.664 -27.01340 25.13548 
1 1 1   18    0    8 o  172.940   10.184  376.517   43.788  347.643   63.563  402.596   60.408  165.222   15.590  178.283   13.673 -13.06097 20.73636 
1 1 1   18    0    9 o  290.892   11.440  1063.09   83.101  1055.74  119.251  1070.04  115.867  288.437   16.627  290.553   16.031 -2.116028 23.09653 
1 1 1   18    0   10 o  178.243   10.317  400.034   45.723  360.817   67.044  434.134   62.518  168.192   16.162  185.153   13.617 -16.96115 21.13327 
1 1 1   18    0   11 o  269.535   11.116  912.600   74.818  842.901  107.442  978.214  104.247  257.518   16.800  277.959   15.075 -20.44092 22.57190 
1 1 1   18    0   12 o  279.744   11.348  983.393   79.277  932.425  114.207  1030.79  110.132  270.821   16.973  285.206   15.522 -14.38477 23.00019 
1 1 1   18    0   13 o   67.321   17.857   59.541   30.512   88.460   78.985   54.469   33.080   86.056   29.966   64.896   19.119 21.16019 35.54547 
1 1 1   18    0   14 o  241.673   16.274  742.557   97.643  668.932  148.829  798.196  129.380  225.806   26.925  249.158   20.990 -23.35266 34.13948 
1 1 1   18    0   15 o  424.822   20.504  2304.49  217.515  2517.82  316.071  2112.55  299.799  438.366   29.038  400.632   30.188 37.73398 41.88696 
1 1 1   18    0   16 o  170.942   12.022  369.569   50.992  353.063   66.073  393.880   80.187  166.208   16.122  174.990   18.637 -8.782150 24.64255 
1 1 1   18    0   17 o  458.228   15.304  2657.41  175.126  2730.84  250.449  2587.16  244.973  461.373   21.738  449.010   21.848 12.36270 30.81996 
1 1 1   18    0   18 o  207.247   10.495  541.253   54.140  546.583   81.723  537.084   72.275  207.043   15.929  205.674   14.158 1.368622 21.31150 
1 1 1   18    0   19 o  175.354   10.545  388.089   45.960  389.274   70.759  387.223   60.447  174.300   16.451  174.451   13.993 -0.1503143 21.59764 
1 1 1   18    0   20 o  279.948   11.528  987.808   80.590  936.156  118.476  1032.29  109.943  270.294   17.650  284.696   15.523 -14.40182 23.50476 
1 1 1   18    0   21 o  299.238   11.878  1130.55   88.758  1080.89  130.160  1173.70  121.348  289.978   18.064  303.100   16.090 -13.12231 24.19114 
1 1 1   18    0   22 o  283.403   11.585  1014.96   81.987  848.284  120.084  1160.51  112.212  255.923   18.924  301.871   14.886 -45.94797 24.07701 
1 1 1   18    0   23 o  217.859   10.782  599.707   58.657  574.689   87.895  619.795   78.761  210.872   16.832  220.016   14.415 -9.144211 22.16069 
1 1 1   18    0   24 o  348.407   17.777  1575.79  154.154  1271.92  215.498  1894.22  220.604  303.718   28.756  376.742   23.567 -73.02463 37.17934 
1 1 1   18    0   25 o  212.752   10.801  575.507   57.194  395.098   83.961  731.703   78.123  172.374   19.869  238.956   13.143 -66.58136 23.82252 
1 1 1   18    0   26 o   55.823   17.209   40.934   26.369   31.449   37.668   50.049   36.926   54.452   20.446   62.130   20.500 -7.677765 28.95294 
1 1 1   18    0   27 o  179.316   10.741  411.032   47.875  349.862   68.621  469.043   66.826  162.448   17.176  189.994   14.187 -27.54585 22.27786 
1 1 1   18    0   28 o  165.167   10.805  349.822   44.321  293.899   62.899  404.970   62.461  148.288   17.312  176.058   14.331 -27.77039 22.47411 
1 1 1   18    0   29 o  137.042   11.347  242.488   38.482  223.574   52.463  264.516   56.618  129.145   16.656  140.742   16.418 -11.59778 23.38728 
1 1 1   18    0   30 o   77.941   22.584   87.537   46.500   19.107  145.441   95.328   49.076   77.861   35.160   81.051   23.116 -3.189850 42.07853 
1 1 1   18    0   31 o   56.820   22.946   30.049   50.303 -123.1808  141.972   52.047   53.793   62.406   30.142   64.514   24.388 -2.107811 38.77257 
1 1 1   18    0   32 o   60.521   16.698   51.109   26.059   55.184   30.301   39.534   51.070   62.595   18.258   59.400   23.406 3.194908 29.68436 
1 1 1   18    0   33 o  137.023   13.265  249.990   44.822  236.315   56.827  272.503   72.914  129.936   17.997  136.049   22.230 -6.113052 28.60137 
1 1 1   18    1    0 o  580.993   17.658  4268.03  256.196  4495.31  363.614  4043.97  361.031  592.806   24.563  561.599   25.743 31.20728 35.58168 
1 1 1   18    1    1 o  189.027   10.519  449.529   49.458  437.929   71.140  460.379   68.806  185.747   15.478  190.653   14.562 -4.905930 21.25155 
1 1 1   18    1    2 f  250.845   14.904  795.582   92.942   0.0000   0.0000  795.582   92.942  ?   ?   250.845   14.904 0.000000 14.90426 
1 1 1   18    1    3 o  205.314   15.379  534.423   78.274  534.423   78.274   0.0000   0.0000  205.314   15.379  ?   ?  0.000000 15.37863 
1 1 1   18    1    4 f  358.623   13.109  1617.53  117.395  1578.07  166.749  1656.31  165.304  352.326   19.023  361.187   18.388 -8.860962 26.45756 
1 1 1   18    1    5 o  171.551   10.164  370.370   43.348  354.654   62.880  384.604   59.841  167.028   15.243  174.249   13.867 -7.221222 20.60724 
1 1 1   18    1    6 o  234.112   10.563  687.683   61.755  656.424   88.527  717.313   86.190  227.543   15.675  238.149   14.563 -10.60547 21.39612 
1 1 1   18    1    7 o  233.120   10.384  681.813   60.448  610.879   86.486  749.558   84.520  219.401   15.893  243.569   13.954 -24.16747 21.14954 
1 1 1   18    1    8 o  245.013   10.816  753.538   66.178  696.522   94.607  808.166   92.605  234.236   16.275  252.750   14.736 -18.51465 21.95518 
1 1 1   18    1    9 o  274.719   11.055  947.656   75.843  867.335  108.403  1024.67  106.149  261.367   16.696  284.611   14.988 -23.24347 22.43664 
1 1 1   18    1   10 o  416.754   14.365  2189.75  149.499  2184.48  212.981  2194.87  209.898  414.147   20.594  415.269   20.241 -1.122192 28.87554 
1 1 1   18    1   11 o  372.378   13.361  1746.22  124.242  1616.24  176.832  1872.95  174.598  355.855   19.980  384.257   18.196 -28.40204 27.02372 
1 1 1   18    1   12 o   66.804   15.485   58.602   25.329   33.795   38.836   76.964   33.413   57.040   20.880   76.421   17.834 -19.38062 27.45962 
1 1 1   18    1   13 o  135.951   10.634  233.465   35.814  196.991   54.044  262.024   47.821  123.366   18.079  143.598   13.494 -20.23148 22.56015 
1 1 1   18    1   14 o  285.326   11.649  1023.52   83.003  964.448  120.028  1077.65  114.907  275.242   17.554  291.512   15.844 -16.26999 23.64742 
1 1 1   18    1   15 o  390.466   13.379  1921.45  130.455  1895.69  186.842  1945.96  182.227  385.383   19.478  391.241   18.652 -5.858246 26.96797 
1 1 1   18    1   16 o  332.948   14.256  1399.29  118.531  1501.06  218.383  1356.79  141.127  339.738   25.937  326.559   17.368 13.17917 31.21516 
1 1 1   18    1   17 o  321.449   17.827  1316.88  142.536  1384.54  213.005  1262.02  191.811  325.762   26.411  311.702   24.849 14.06036 36.26333 
1 1 1   18    1   18 o  365.817   19.232  1711.27  175.066  1772.39  257.726  1658.91  238.546  367.344   28.314  356.111   27.026 11.23370 39.14195 
1 1 1   18    1   19 o  332.218   12.185  1390.66  101.089  1372.28  146.772  1407.25  139.434  327.802   17.999  332.418   16.852 -4.616760 24.65678 
1 1 1   18    1   20 o  187.114   10.425  441.638   48.516  415.841   73.491  461.566   64.591  180.159   16.519  190.622   13.660 -10.46263 21.43541 
1 1 1   18    1   21 o  160.036   10.679  323.834   42.432  294.363   66.302  344.278   55.222  150.798   17.960  164.417   13.571 -13.61987 22.51094 
1 1 1   18    1   22 o   84.709   14.001   93.314   28.583   74.605   46.191  104.923   36.386   75.248   22.694   89.243   16.947 -13.99453 28.32305 
1 1 1   18    1   23 o   54.452   16.951   37.904   25.514   8.5717   40.808   56.729   32.691   48.618   20.258   65.545   18.920 -16.92662 27.71933 
1 1 1   18    1   24 f  423.745   14.280  2290.55  151.111  2196.88  217.573  2377.83  210.032  409.175   21.368  427.696   19.665 -18.52090 29.03949 
1 1 1   18    1   25 o   86.291   14.638   97.828   30.415   15.625   47.646  154.365   39.514   53.577   22.068  108.789   14.940 -55.21164 26.64926 
1 1 1   18    1   26 o  156.471   14.061  316.484   54.356  264.875   71.257  388.307   84.063  140.116   21.013  170.594   20.120 -30.47784 29.09250 
1 1 1   18    1   27 o  248.971   10.925  788.812   67.923  644.996   99.245  915.530   93.159  220.879   18.154  266.249   14.061 -45.37016 22.96261 
1 1 1   18    1   28 o  121.170   11.257  189.013   33.672  153.617   46.926  226.582   48.345  106.493   18.306  131.312   15.013 -24.81883 23.67490 
1 1 1   18    1   29 o  156.108   10.586  312.428   41.025  288.291   57.553  337.362   58.495  147.559   15.868  160.319   14.777 -12.75995 21.68363 
1 1 1   18    1   30 o   51.738   16.349   35.286   23.641   32.533   28.770   41.009   41.485   51.455   18.076   58.553   21.558 -7.098484 28.13334 
1 1 1   18    1   31 o   32.095   13.747   0.5467   19.659   1.4383   22.223  -2.6623   42.159   34.331   14.658   44.798   19.650 -10.46779 24.51499 
1 1 1   18    1   32 o   44.239   19.668  -6.8939   43.611 -80.1795  152.852  -0.3996   45.502   67.955   32.410   46.685   20.448 21.26982 38.32118 
1 1 1   18    1   33 o   35.922   14.980   5.8862   22.341   10.692   24.820 -14.6209   51.274   39.370   16.038   45.825   20.768 -6.455711 26.24012 
1 1 1   18    2    0 o  224.517   9.5449  631.690   53.515  661.411   76.803  603.645   74.606  228.932   13.494  218.629   13.735 10.30313 19.25474 
1 1 1   18    2    1 o  174.339   10.011  382.273   43.401  378.662   62.802  385.575   60.047  172.787   14.694  174.510   13.894 -1.723373 20.22305 
1 1 1   18    2    2 o  446.512   14.744  2511.41  164.400  2533.36  233.205  2489.72  231.794  446.479   20.916  442.596   20.972 3.882782 29.61973 
1 1 1   18    2    3 o  202.222   10.204  514.078   51.361  505.382   73.202  522.509   72.081  199.757   14.780  203.224   14.294 -3.466690 20.56141 
1 1 1   18    2    4 o  488.872   16.397  3017.59  200.171  2768.84  283.110  3266.25  283.059  464.530   24.492  506.190   22.393 -41.66095 33.18609 
1 1 1   18    2    5 o  157.471   10.150  312.240   39.701  292.418   57.294  330.549   55.064  151.527   15.354  161.484   13.787 -9.956909 20.63524 
1 1 1   18    2    6 o  336.369   11.975  1421.43  100.589  1371.23  143.057  1470.52  141.464  328.789   17.487  341.163   16.605 -12.37338 24.11435 
1 1 1   18    2    7 o  300.911   11.437  1137.05   85.945  1124.44  122.659  1149.21  120.459  297.866   16.556  301.267   16.070 -3.401031 23.07213 
1 1 1   18    2    8 o  226.999   10.195  646.368   57.794  602.468   83.043  687.602   80.482  217.995   15.353  233.266   13.879 -15.27100 20.69639 
1 1 1   18    2    9 o  328.904   12.189  1359.83  100.115  1292.78  142.574  1425.05  140.615  318.955   17.974  335.694   16.774 -16.73862 24.58489 
1 1 1   18    2   10 o  361.327   12.878  1642.64  116.196  1561.59  165.423  1721.58  163.250  350.249   18.984  368.650   17.733 -18.40051 25.97829 
1 1 1   18    2   11 o  417.094   14.600  2194.00  152.068  2080.88  215.991  2305.19  214.136  403.313   21.524  425.618   20.147 -22.30505 29.48189 
1 1 1   18    2   12 o  150.247   10.400  284.655   38.779  269.261   57.366  297.609   52.623  145.091   16.105  153.063   13.920 -7.971542 21.28651 
1 1 1   18    2   13 o  472.612   15.887  2823.26  187.501  2674.83  266.033  2969.78  264.310  456.219   23.430  482.058   21.957 -25.83893 32.11029 
1 1 1   18    2   14 f  335.433   12.673  1416.08  106.153  1290.16  151.839  1536.47  148.463  317.993   19.211  348.278   17.070 -30.28497 25.69968 
1 1 1   18    2   15 o  165.653   10.263  345.761   42.246  311.154   63.176  373.753   56.818  155.957   16.471  171.732   13.354 -15.77460 21.20420 
1 1 1   18    2   16 o  227.124   10.651  647.913   60.411  582.185   88.840  704.447   82.392  213.735   16.780  235.906   14.050 -22.17078 21.88492 
1 1 1   18    2   17 o  212.774   10.716  570.192   56.753  473.892   83.409  653.215   77.445  192.466   17.547  227.173   13.716 -34.70769 22.27173 
1 1 1   18    2   18 o  141.516   10.824  253.136   37.960  210.060   58.600  284.281   49.829  127.104   19.049  149.541   13.489 -22.43680 23.34137 
1 1 1   18    2   19 o   67.130   21.653   56.514   41.305 -36.1910   92.048   79.888   46.220   62.689   28.171   77.929   22.497 -15.23962 36.05221 
1 1 1   18    2   20 o  148.393   16.745  283.099   60.967  310.265  111.547  271.527   72.803  150.906   30.647  144.169   20.826 6.737518 37.05310 
1 1 1   18    2   21 o  416.636   16.468  2207.10  171.337  2128.61  212.065  2354.68  290.766  406.405   20.967  422.676   27.701 -16.27066 34.74139 
1 1 1   18    2   22 o  241.291   10.697  733.164   64.453  669.692   96.739  783.830   86.430  228.522   17.075  248.366   13.993 -19.84373 22.07626 
1 1 1   18    2   23 o  196.155   10.597  486.347   51.714  408.066   78.272  546.988   68.891  177.570   17.896  207.331   13.377 -29.76062 22.34300 
1 1 1   18    2   24 o  186.350   10.741  439.820   49.771  389.762   75.744  477.856   66.026  173.243   17.759  193.411   13.760 -20.16794 22.46625 
1 1 1   18    2   25 o  103.194   16.671  140.172   41.496   0.0000   0.0000  140.172   41.496  ?   ?   103.194   16.671 0.000000 16.67113 
1 1 1   18    2   26 o  133.176   13.291  228.494   43.609  190.726   55.253  290.893   71.019  119.555   19.154  147.925   19.717 -28.36949 27.48841 
1 1 1   18    2   27 o  128.267   11.271  210.749   35.734  149.451   51.645  267.053   49.496  104.701   20.486  143.589   13.981 -38.88853 24.80232 
1 1 1   18    2   28 o   65.908   18.397   59.048   31.433   54.035   36.963   72.144   59.740   63.831   20.472   74.221   26.048 -10.38963 33.13036 
1 1 1   18    2   29 o  106.533   12.111  147.267   31.648   91.321   43.167  212.289   46.536   80.749   21.154  127.017   14.958 -46.26745 25.90840 
1 1 1   18    2   30 o  121.890   11.977  192.577   35.984  162.911   48.874  227.699   53.177  109.238   18.582  130.513   16.699 -21.27569 24.98288 
1 1 1   18    2   31 o   58.069   16.972   45.866   26.160   39.512   30.325   64.352   51.724   55.217   18.586   69.158   24.240 -13.94065 30.54539 
1 1 1   18    2   32 o   72.867   15.305   72.393   26.963   65.756   32.421   87.279   48.554   68.521   18.510   77.518   23.242 -8.996841 29.71220 
1 1 1   18    2   33 o   40.333   15.145   17.175   20.670   10.854   23.060   43.015   46.624   38.571   15.550   59.739   22.675 -21.16807 27.49493 
1 1 1   18    2   34 o   42.034   19.475 -27.6648   48.573 -128.4490  168.639 -18.5475   50.722   65.741   32.008   44.723   20.418 21.01760 37.96559 
1 1 1   18    3    0 o  523.206   16.837  3456.63  219.986  3567.72  311.853  3346.60  310.367  528.691   23.621  511.727   24.288 16.96411 33.87978 
1 1 1   18    3    1 o  300.366   16.427  1141.93  122.750   0.0000   0.0000  1141.93  122.750  ?   ?   300.366   16.427 0.000000 16.42738 
1 1 1   18    3    2 o  534.399   24.785  3654.14  330.760  3654.14  330.760   0.0000   0.0000  534.399   24.785  ?   ?  0.000000 24.78547 
1 1 1   18    3    3 o  202.806   9.7304  515.532   49.279  556.917   71.107  477.286   68.357  209.969   13.635  194.213   14.193 15.75601 19.68146 
1 1 1   18    3    4 o  439.236   15.172  2431.77  166.413  2314.83  235.518  2548.35  235.168  425.711   22.232  447.704   21.035 -21.99283 30.60555 
1 1 1   18    3    5 o  154.502   10.040  300.555   38.525  242.983   55.179  355.314   53.814  137.798   16.355  167.614   12.957 -29.81613 20.86538 
1 1 1   18    3    6 o  273.069   10.527  935.417   71.786  1009.45  103.265  866.183   99.863  282.675   14.680  261.644   15.351 21.03082 21.24045 
1 1 1   18    3    7 o  245.397   10.314  755.351   63.206  829.813   91.068  686.144   87.796  256.283   14.287  232.784   15.186 23.49852 20.85031 
1 1 1   18    3    8 o  225.010   10.459  635.193   58.770  592.886   84.360  675.089   81.921  216.182   15.735  231.065   14.267 -14.88318 21.23995 
1 1 1   18    3    9 o   94.391   11.851  113.669   27.318  108.645   40.762  117.766   36.807   90.984   18.569   95.315   16.033 -4.330383 24.53321 
1 1 1   18    3   10 o  161.394   9.7838  327.836   39.245  320.626   57.415  334.159   53.767  158.818   14.642  162.395   13.378 -3.576691 19.83269 
1 1 1   18    3   11 o  183.880   10.172  425.479   46.526  413.044   67.538  436.710   64.184  180.309   15.140  185.673   13.945 -5.364487 20.58326 
1 1 1   18    3   12 o  274.173   10.994  943.940   75.271  924.314  108.469  962.170  104.538  269.953   16.165  275.679   15.244 -5.726257 22.21915 
1 1 1   18    3   13 o  121.740   10.889  187.564   32.752  146.497   48.931  220.897   44.085  105.823   19.225  131.744   13.595 -25.92165 23.54611 
1 1 1   18    3   14 o  315.923   12.060  1255.04   95.141  1159.35  136.281  1346.01  132.883  301.774   18.169  325.808   16.385 -24.03345 24.46596 
1 1 1   18    3   15 o  132.659   10.717  222.407   35.199  171.576   53.119  262.197   46.998  114.703   19.225  143.691   13.247 -28.98783 23.34723 
1 1 1   18    3   16 o  188.462   10.372  447.234   48.624  412.929   71.820  476.265   66.069  179.967   16.153  193.902   13.733 -13.93515 21.20198 
1 1 1   18    3   17 o  191.408   10.410  461.386   49.571  430.231   74.160  486.548   66.647  183.648   16.342  195.973   13.705 -12.32509 21.32781 
1 1 1   18    3   18 o  284.230   11.423  1015.85   81.078  984.896  118.205  1043.36  111.418  278.154   17.101  286.768   15.618 -8.614105 23.15902 
1 1 1   18    3   19 o  142.891   10.763  258.029   38.125  233.938   58.776  275.526   50.092  134.543   17.941  147.136   13.794 -12.59264 22.63114 
1 1 1   18    3   20 o   45.646   16.288   22.709   23.444   38.471   38.891   13.711   29.383   58.826   20.980   44.560   17.691 14.26664 27.44318 
1 1 1   18    3   21 o  128.091   13.438  209.401   42.344  146.727  106.852  221.077   46.120  105.602   34.874  131.471   14.277 -25.86941 37.68309 
1 1 1   18    3   22 o  226.993   16.396  658.561   92.313  727.122  152.471  618.885  115.988  234.392   26.515  218.176   21.571 16.21523 34.18187 
1 1 1   18    3   23 o  174.351   12.697  386.249   54.902  312.779   71.569  491.312   85.584  155.104   18.866  195.252   17.747 -40.14861 25.90142 
1 1 1   18    3   24 o  155.740   10.884  307.455   42.065  252.817   65.073  346.674   55.132  138.844   19.289  164.779   13.517 -25.93480 23.55412 
1 1 1   18    3   25 o  110.084   11.886  155.166   32.156  118.317   49.910  181.319   42.046   93.383   21.799  118.426   14.522 -25.04365 26.19345 
1 1 1   18    3   26 o   44.230   16.228   20.581   23.479   20.319   35.181   20.791   31.528   49.591   19.463   48.093   18.550 1.498394 26.88667 
1 1 1   18    3   27 o  147.675   10.883  278.008   39.852  214.116   59.116  331.229   53.955  126.624   19.307  160.379   13.600 -33.75552 23.61578 
1 1 1   18    3   28 o  145.189   10.737  269.210   38.651  238.315   56.332  296.692   53.130  134.215   17.204  151.222   14.237 -17.00668 22.33050 
1 1 1   18    3   29 o   57.978   16.254   45.180   24.481   39.875   32.358   52.281   37.436   56.313   19.198   63.021   20.634 -6.707787 28.18386 
1 1 1   18    3   30 o   80.328   17.766   88.351   34.693  102.287   39.795   44.222   70.815   86.109   19.015   67.779   27.276 18.32960 33.25004 
1 1 1   18    3   31 o   42.403   15.511   19.804   21.428   18.208   25.615   23.525   39.108   43.555   16.741   51.504   20.422 -7.949066 26.40724 
1 1 1   18    3   32 f  113.507   12.498  168.368   34.839  162.010   45.757  177.138   53.740  109.145   17.370  112.936   19.776 -3.791481 26.32135 
1 1 1   18    3   33 f   51.580   15.834   35.703   22.352   13.307   25.617  107.138   45.751   41.140   16.458   86.213   21.360 -45.07230 26.96567 
1 1 1   18    3   34 o   93.751   13.892  117.817   31.540  118.293   38.714  116.877   54.391   92.228   17.448   88.096   24.050 4.131638 29.71247 
1 1 1   18    3   35 o   43.344   15.687   22.327   21.831   19.488   24.255   34.435   50.089   42.875   16.336   57.151   22.961 -14.27641 28.17900 
1 1 1   18    4    0 o  733.509   26.257  6902.77  480.955  6688.25  831.727  7010.54  589.512  699.340   47.915  734.321   32.148 -34.98108 57.70021 
1 1 1   18    4    1 o  339.516   16.444  1454.82  139.420  1454.82  139.420   0.0000   0.0000  339.516   16.444  ?   ?  0.000000 16.44424 
1 1 1   18    4    2 o  435.461   14.334  2387.21  155.871  2430.18  221.217  2344.83  219.661  437.585   20.244  429.755   20.468 7.829742 28.78867 
1 1 1   18    4    3 o  246.925   10.652  764.793   65.685  765.134   93.745  764.464   92.062  245.913   15.342  245.861   15.067 0.5160522E-01 21.50382 
1 1 1   18    4    4 o  373.770   13.082  1756.56  122.102  1759.57  173.379  1753.60  171.987  372.760   18.626  372.161   18.506 0.5992737 26.25638 
1 1 1   18    4    5 o  365.332   13.213  1678.53  120.546  1600.31  171.001  1755.80  169.960  354.750   19.376  372.426   18.275 -17.67587 26.63481 
1 1 1   18    4    6 o  519.947   16.883  3415.98  219.207  3351.09  310.475  3480.49  309.537  511.749   24.295  521.813   23.755 -10.06458 33.97840 
1 1 1   18    4    7 o  180.863   10.243  411.560   46.074  348.156   65.966  471.951   64.379  165.298   16.189  193.221   13.426 -27.92293 21.03174 
1 1 1   18    4    8 o  129.985   10.358  213.272   33.344  151.738   48.313  269.242   46.077  107.969   18.590  145.782   12.786 -37.81250 22.56229 
1 1 1   18    4    9 o  227.035   10.307  646.606   58.436  568.446   83.657  721.080   81.660  211.604   15.949  238.934   13.744 -27.32997 21.05394 
1 1 1   18    4   10 o  177.294   9.8375  395.382   43.383  396.382   62.855  394.472   59.953  176.789   14.362  176.481   13.712 0.3078461 19.85618 
1 1 1   18    4   11 o  160.020   10.102  322.473   40.159  306.504   58.654  336.565   55.100  155.111   15.344  162.927   13.669 -7.816055 20.54964 
1 1 1   18    4   12 o  313.763   11.696  1237.05   91.639  1212.41  130.995  1260.66  128.244  309.074   17.038  315.387   16.339 -6.312439 23.60662 
1 1 1   18    4   13 o   93.786   11.971  112.325   27.396  112.770   41.581  111.984   36.418   92.688   18.611   92.806   16.309 -0.1184158 24.74636 
1 1 1   18    4   14 o  200.945   10.469  508.181   52.351  456.352   76.326  554.224   71.940  189.296   16.306  209.275   13.844 -19.97861 21.38993 
1 1 1   18    4   15 o  160.290   10.464  323.873   41.655  297.339   61.710  346.082   56.457  152.456   16.471  165.155   13.816 -12.69872 21.49824 
1 1 1   18    4   16 o   88.787   12.948  101.285   27.863   87.583   43.095  111.128   36.525   81.347   21.052   92.390   16.434 -11.04303 26.70694 
1 1 1   18    4   17 o  120.316   11.092  183.398   32.950  164.573   50.949  196.934   43.202  112.351   18.826  124.167   14.188 -11.81643 23.57320 
1 1 1   18    4   18 o  285.528   11.768  1025.39   83.909  931.074  121.575  1111.18  115.956  270.162   18.126  295.983   15.745 -25.82141 24.00920 
1 1 1   18    4   19 o  137.297   10.638  238.220   36.187  188.744   56.017  273.656   47.407  120.315   19.297  146.794   13.069 -26.47938 23.30586 
1 1 1   18    4   20 o  102.363   12.010  133.668   30.116  132.291   48.186  134.551   38.579  100.123   19.973  101.968   15.651 -1.845551 25.37436 
1 1 1   18    4   21 o  140.398   10.742  249.258   37.376  220.280   58.210  269.585   48.753  130.290   18.403  145.518   13.573 -15.22760 22.86726 
1 1 1   18    4   22 o  229.229   10.776  661.073   61.685  571.218   92.242  733.765   82.966  211.051   17.665  240.523   13.872 -29.47234 22.46035 
1 1 1   18    4   23 o  144.151   10.855  263.099   38.789  212.733   61.340  296.658   50.070  127.320   19.948  152.619   13.270 -25.29964 23.95863 
1 1 1   18    4   24 o  255.553   22.388  854.289  141.431   0.0000   0.0000  854.289  141.431  ?   ?   255.553   22.388 0.000000 22.38788 
1 1 1   18    4   25 o  104.203   35.521  146.992  110.772  146.992  110.772   0.0000   0.0000  104.203   35.521  ?   ?  0.000000 35.52100 
1 1 1   18    4   26 o  154.298   10.512  302.094   40.261  237.543   61.229  351.265   53.439  134.293   18.771  165.760   13.015 -31.46739 22.84138 
1 1 1   18    4   27 f  209.685   10.701  558.031   55.846  459.661   83.413  637.943   75.181  187.422   18.045  223.166   13.555 -35.74420 22.56919 
1 1 1   18    4   28 o  145.450   10.589  269.650   38.196  221.691   56.816  309.199   51.594  129.236   18.101  154.864   13.476 -25.62703 22.56680 
1 1 1   18    4   29 o   66.183   15.604   58.963   25.369   56.386   34.923   61.843   36.916   64.800   19.775   67.577   20.267 -2.777458 28.31603 
1 1 1   18    4   30 o  123.713   11.401  197.058   34.827  162.436   48.991  232.429   49.518  109.489   18.583  132.976   15.184 -23.48724 23.99739 
1 1 1   18    4   31 o   31.194   13.437  -0.6983   18.981 -13.2439   22.337   31.902   36.006   29.685   13.552   53.640   20.019 -23.95445 24.17465 
1 1 1   18    4   32 o   41.657   16.133   15.959   23.925   19.516   25.145 -18.0527   77.754   43.913   16.656   56.816   25.678 -12.90339 30.60686 
1 1 1   18    4   33 o  131.120   11.990  223.579   38.825  210.644   50.796  241.755   60.212  124.966   16.695  132.829   18.668 -7.863426 25.04401 
1 1 1   18    4   34 o   91.463   14.019  111.947   30.998  119.080   37.961   97.670   53.702   93.039   16.964   81.043   24.476 11.99589 29.77959 
1 1 1   18    4   35 o   40.437   15.213   17.377   20.873   20.465   23.284   4.7395   47.102   43.084   16.095   48.338   20.994 -5.253902 26.45330 
1 1 1   18    5    0 o  495.244   15.125  3090.54  187.049  3149.76  265.199  3031.91  263.859  497.727   21.337  488.200   21.643 9.526550 30.39234 
1 1 1   18    5    1 o  195.731   10.179  481.619   49.583  498.620   71.317  465.712   68.984  198.486   14.489  191.786   14.511 6.699768 20.50598 
1 1 1   18    5    2 o  161.467   9.5876  327.870   38.485  384.985   56.000  276.754   52.977  174.537   12.941  147.552   14.568 26.98543 19.48559 
1 1 1   18    5    3 o  304.296   11.326  1162.15   86.065  1168.93  122.569  1155.56  120.876  303.942   16.207  302.227   16.074 1.715057 22.82643 
1 1 1   18    5    4 o  373.644   13.384  1755.92  124.876  1644.51  176.949  1866.45  176.257  359.534   19.785  383.991   18.381 -24.45642 27.00570 
1 1 1   18    5    5 o  356.691   14.509  1602.39  129.236  1604.10  158.301  1598.97  223.790  356.106   17.801  352.257   25.616 3.849457 31.19418 
1 1 1   18    5    6 o  238.995   14.330  721.816   85.130  593.247  115.387  875.394  126.111  214.808   21.813  262.041   19.410 -47.23241 29.19908 
1 1 1   18    5    7 o  388.260   19.268  1911.86  186.810  1861.47  261.379  1964.47  267.093  379.028   27.809  389.506   27.639 -10.47830 39.20833 
1 1 1   18    5    8 o  143.276   14.187  260.994   50.091  251.908   65.302  273.984   78.075  139.686   19.230  145.023   22.271 -5.336655 29.42440 
1 1 1   18    5    9 o  213.284   14.033  575.299   74.326  480.596   99.744  693.547  111.455  193.260   21.006  233.021   19.328 -39.76051 28.54530 
1 1 1   18    5   10 o  234.794   14.673  697.560   85.600  643.279  116.994  760.095  125.574  223.813   21.185  243.542   20.849 -19.72868 29.72326 
1 1 1   18    5   11 o  247.600   14.964  775.960   92.087  695.323  126.300  867.480  134.553  232.472   22.019  260.237   20.881 -27.76476 30.34521 
1 1 1   18    5   12 o  115.821   15.331  172.154   43.252  172.939   55.956  170.990   68.172  115.009   20.222  113.342   24.777 1.666878 31.98149 
1 1 1   18    5   13 o  180.950   14.194  415.149   63.622  407.386   85.423  424.820   95.344  178.035   19.535  181.323   21.474 -3.287735 29.03003 
1 1 1   18    5   14 o  228.645   14.700  662.101   83.488  615.005  114.842  714.888  121.585  218.616   21.307  235.988   20.846 -17.37206 29.80873 
1 1 1   18    5   15 o  154.873   10.292  302.323   39.577  257.673   58.553  339.883   53.703  141.725   16.876  163.774   13.245 -22.04892 21.45285 
1 1 1   18    5   16 o  208.777   10.411  547.139   54.277  493.545   79.467  594.002   74.310  196.882   16.310  216.672   13.806 -19.79002 21.36875 
1 1 1   18    5   17 o  191.036   10.448  459.520   49.651  427.436   73.522  486.422   67.323  183.118   16.247  195.958   13.847 -12.83963 21.34705 
1 1 1   18    5   18 o  313.877   12.306  1239.74   96.456  1116.62  138.976  1354.17  133.980  295.753   18.916  326.640   16.479 -30.88712 25.08748 
1 1 1   18    5   19 o   85.053   13.467   93.370   27.651   36.525   44.031  130.386   35.530   59.919   22.182  100.614   14.565 -40.69534 26.53646 
1 1 1   18    5   20 o   89.218   12.935  102.334   27.978   75.721   44.273  120.029   36.100   76.016   22.040   96.230   15.553 -20.21329 26.97507 
1 1 1   18    5   21 o   94.926   12.541  115.458   29.001  117.307   46.663  114.293   37.019   94.051   20.451   93.630   16.432 0.4215469 26.23498 
1 1 1   18    5   22 f  159.534   10.672  321.438   42.270  287.480   65.541  345.620   55.310  149.240   17.946  164.896   13.552 -15.65620 22.48830 
1 1 1   18    5   23 o  118.550   11.446  178.640   33.462  140.553   53.878  202.557   42.695  102.658   21.696  125.829   13.815 -23.17146 25.72098 
1 1 1   18    5   24 o  184.881   10.468  431.664   48.133  367.980   74.519  477.253   63.049  168.742   17.961  193.825   13.103 -25.08369 22.23236 
1 1 1   18    5   25 o  167.019   10.638  353.074   44.140  303.136   68.118  389.219   57.952  152.658   18.229  174.726   13.384 -22.06815 22.61475 
1 1 1   18    5   26 o  220.647   12.959  619.930   71.092  681.830  156.024  603.711   79.865  223.496   28.613  217.085   14.821 6.410889 32.22335 
1 1 1   18    5   27 o   88.250   21.444  106.096   46.792  159.183  113.078   95.128   51.399  106.184   35.890   83.454   23.607 22.73021 42.95791 
1 1 1   18    5   28 o  210.833   10.502  562.929   55.292  493.769   82.331  619.747   74.624  194.538   17.122  219.756   13.666 -25.21756 21.90726 
1 1 1   18    5   29 o   76.882   14.298   78.268   26.440   34.122   37.336  122.681   37.449   55.484   20.448   96.114   16.177 -40.63004 26.07342 
1 1 1   18    5   30 o   70.415   15.097   66.515   25.749   75.218   35.129   56.411   37.853   74.049   18.926   65.024   20.702 9.024612 28.04980 
1 1 1   18    5   31 o   53.325   16.014   37.742   23.037   32.039   29.149   47.229   37.599   51.599   18.188   60.639   20.695 -9.040825 27.55145 
1 1 1   18    5   32 o  198.688   10.706  505.628   52.925  438.753   75.599  569.911   74.119  181.691   16.854  208.967   14.289 -27.27571 22.09625 
1 1 1   18    5   33 o  240.695   11.452  744.295   68.833  726.585   98.882  760.943   95.875  233.324   17.090  239.649   16.114 -6.324768 23.48903 
1 1 1   18    5   34 o   46.360   16.433   25.854   23.827   20.793   24.433  124.170  107.690   44.020   16.479   89.793   34.371 -45.77222 38.11702 
1 1 1   18    5   35 o   90.099   14.408  109.307   31.325  108.649   38.361  110.624   54.269   88.128   18.038   85.856   24.247 2.272385 30.22052 
1 1 1   18    5   36 o   76.305   15.369   80.301   28.273   77.020   33.167   89.023   54.078   73.519   18.170   76.605   24.782 -3.086151 30.72983 
1 1 1   18    6    0 o  158.348   13.806  317.843   54.048  317.843   54.048   0.0000   0.0000  158.348   13.806  ?   ?  0.000000 13.80632 
1 1 1   18    6    1 o  109.207   10.661  151.002   28.702  117.103   41.380  182.435   39.846   94.678   18.163  119.680   13.573 -25.00137 22.67379 
1 1 1   18    6    2 o  328.321   12.276  1354.15  100.651  1373.32  142.892  1335.27  141.798  329.175   17.445  324.538   17.562 4.636688 24.75409 
1 1 1   18    6    3 o  440.854   14.537  2447.55  160.035  2395.05  226.698  2499.72  225.950  434.123   20.911  443.698   20.393 -9.575012 29.20875 
1 1 1   18    6    4 o  411.323   19.701  2146.08  202.355  1955.00  282.754  2346.70  289.721  387.881   29.411  426.236   27.364 -38.35489 40.17177 
1 1 1   18    6    5 o  109.308   15.074  153.339   40.052  132.328   50.148  190.348   66.555  100.287   20.710  120.264   23.000 -19.97738 30.94988 
1 1 1   18    6    6 o  165.212   13.534  345.658   55.346  283.562   72.512  432.324   85.664  148.166   20.118  183.774   18.938 -35.60789 27.62924 
1 1 1   18    6    7 o  247.894   15.132  777.519   93.224  764.942  127.888  791.779  136.181  244.343   21.169  248.315   22.195 -3.971909 30.67154 
1 1 1   18    6    8 o  354.077   18.186  1591.60  160.260  1545.85  223.237  1640.24  230.206  345.969   26.030  356.420   26.045 -10.45132 36.82240 
1 1 1   18    6    9 o  139.956   14.029  249.072   48.371  205.883   62.290  314.676   76.771  125.716   20.552  156.153   20.158 -30.43652 28.78795 
1 1 1   18    6   10 o  119.731   11.744  181.784   34.661  184.139   57.067  180.408   43.630  118.870   19.930  118.689   15.059 0.1811371 24.98001 
1 1 1   18    6   11 o  247.282   12.141  768.565   74.972  676.571  127.311  817.403   92.762  229.144   22.540  254.221   14.674 -25.07634 26.89623 
1 1 1   18    6   12 o  150.815   14.222  289.091   52.929  270.743   69.518  314.398   81.642  144.704   19.754  155.647   21.586 -10.94272 29.26063 
1 1 1   18    6   13 o   84.193   17.553   93.023   35.709   77.668   44.734  119.995   59.287   77.064   22.099   94.946   24.752 -17.88232 33.18169 
1 1 1   18    6   14 o  175.567   14.007  390.829   60.898  345.948   80.967  449.294   92.409  163.710   20.236  186.899   20.117 -23.18915 28.53375 
1 1 1   18    6   15 o  196.198   14.223  487.755   69.213  454.745   94.145  526.581  102.102  187.943   20.386  202.366   20.487 -14.42259 28.90173 
1 1 1   18    6   16 o   92.358   17.033  111.303   37.838   89.746   48.920  143.402   59.695   82.488   22.924  103.799   23.568 -21.31144 32.87820 
1 1 1   18    6   17 o   49.159   18.602   22.283   31.316   31.307   39.970   7.9396   50.393   56.494   21.091   53.658   22.448 2.835838 30.80164 
1 1 1   18    6   18 o  325.640   17.440  1348.18  141.307  1350.85  198.091  1345.40  201.633  323.068   24.742  322.171   25.265 0.8968506 35.36223 
1 1 1   18    6   19 o  193.066   10.677  469.589   51.274  432.469   76.679  499.610   68.958  184.002   16.876  198.539   13.998 -14.53699 21.92613 
1 1 1   18    6   20 o  194.826   10.412  478.054   50.474  418.812   75.799  525.251   67.656  180.980   16.970  203.691   13.375 -22.71036 21.60749 
1 1 1   18    6   21 o  170.972   10.474  368.599   44.505  330.271   67.987  397.338   58.871  160.419   17.242  176.997   13.419 -16.57841 21.84884 
1 1 1   18    6   22 o  131.224   10.892  217.991   35.370  179.535   55.693  243.987   45.790  117.054   19.757  138.415   13.416 -21.36192 23.88116 
1 1 1   18    6   23 o  243.339   15.020  752.869   90.827   0.0000   0.0000  752.869   90.827  ?   ?   243.339   15.020 0.000000 15.02040 
1 1 1   18    6   24 o  165.043   16.335  349.759   66.441  349.759   66.441   0.0000   0.0000  165.043   16.335  ?   ?  0.000000 16.33525 
1 1 1   18    6   25 o  255.397   11.103  822.519   70.814  719.144  105.320  907.810   95.666  236.302   17.983  267.051   14.399 -30.74881 23.03726 
1 1 1   18    6   26 o  149.441   10.631  283.110   39.415  240.099   61.303  313.421   51.463  135.392   18.625  156.639   13.282 -21.24643 22.87543 
1 1 1   18    6   27 o  162.360   10.406  334.193   41.967  237.394   64.496  405.270   55.267  133.866   19.899  178.292   12.492 -44.42624 23.49508 
1 1 1   18    6   28 o  133.709   13.505  230.270   44.475  381.958  128.450  209.608   47.407  162.640   32.760  126.969   15.257 35.67111 36.13829 
1 1 1   18    6   29 o   86.576   21.708  103.335   46.846  144.539  117.549   95.555   51.078  101.201   36.433   83.082   23.544 18.11861 43.37829 
1 1 1   18    6   30 f   28.613   13.095 -13.5599   21.027 -30.8464   25.337   24.684   37.687   27.913   13.280   51.891   20.206 -23.97765 24.17930 
1 1 1   18    6   31 o   53.792   15.891   38.447   22.826   39.079   29.764   37.546   35.567   55.311   18.413   56.077   20.056 -0.7656631 27.22634 
1 1 1   18    6   32 o  231.699   10.919  685.574   63.177  635.491   91.841  730.562   87.044  219.146   16.913  236.578   14.808 -17.43227 22.47986 
1 1 1   18    6   33 f  160.060   11.614  330.424   46.105  331.001   64.690  329.828   65.726  157.588   16.693  157.110   17.025 0.4774628 23.84315 
1 1 1   18    6   34 o   57.502   15.674   45.066   23.124   29.844   27.180   84.969   44.004   49.579   17.554   77.093   21.855 -27.51343 28.03162 
1 1 1   18    6   35 o  121.383   12.290  192.793   36.739  161.997   46.949  241.443   59.009  108.410   17.972  132.551   18.317 -24.14100 25.66097 
1 1 1   18    6   36 o  104.336   17.294  150.493   43.480  156.205   45.683   95.520  141.718  105.985   17.898   84.533   36.564 21.45195 40.70992 
1 1 1   18    7    0 o  301.125   11.303  1138.18   84.998  1155.53  120.500  1121.00  119.912  302.196   16.025  297.592   16.197 4.604523 22.78469 
1 1 1   18    7    1 o  312.701   11.834  1227.95   92.406  1177.99  130.736  1277.84  130.629  304.822   17.246  317.709   16.522 -12.88666 23.88279 
1 1 1   18    7    2 o  261.082   10.666  855.073   69.541  835.984   98.684  873.903   98.011  257.045   15.446  262.929   14.990 -5.883514 21.52332 
1 1 1   18    7    3 o   51.848   17.770   31.165   27.725   27.507   32.060   42.017   55.213   51.817   18.971   65.892   24.751 -14.07571 31.18483 
1 1 1   18    7    4 o  265.707   15.500  893.209  102.397  861.991  140.476  928.602  149.574  259.319   21.898  269.036   22.469 -9.717682 31.37478 
1 1 1   18    7    5 o  269.369   15.398  917.819  103.144  842.885  141.398  1003.04  150.790  256.263   22.319  279.892   21.745 -23.62909 31.16014 
1 1 1   18    7    6 o  153.863   14.160  300.537   53.796  322.208   70.895  271.122   82.596  158.536   18.240  143.878   23.822 14.65717 30.00329 
1 1 1   18    7    7 o  137.963   10.294  240.035   35.210  179.507   50.635  296.705   48.995  117.856   17.756  153.074   12.938 -35.21784 21.96970 
1 1 1   18    7    8 o  257.721   11.382  833.943   73.252  769.314  104.241  896.993  102.960  246.116   17.066  266.207   15.556 -20.09073 23.09200 
1 1 1   18    7    9 o  214.046   10.153  574.623   54.266  547.034   77.571  601.067   75.944  207.760   15.054  218.034   14.022 -10.27437 20.57285 
1 1 1   18    7   10 o  235.995   10.851  699.011   63.950  640.054   91.156  756.150   89.739  224.507   16.372  244.478   14.768 -19.97171 22.04894 
1 1 1   18    7   11 o  558.433   18.080  3950.93  252.129  3787.81  356.872  4113.47  356.256  542.388   26.348  565.949   25.208 -23.56122 36.46453 
1 1 1   18    7   12 o   46.630   15.209   26.444   20.345   24.951   31.541   27.508   26.624   50.440   18.754   49.550   17.390 0.8899918 25.57570 
1 1 1   18    7   13 o  140.982   10.072  250.591   35.227  234.008   51.818  264.839   48.033  135.268   15.628  144.421   13.474 -9.153442 20.63469 
1 1 1   18    7   14 o  305.449   11.458  1172.12   87.396  1138.62  124.829  1204.33  122.399  299.559   16.754  308.335   15.951 -8.775055 23.13326 
1 1 1   18    7   15 o  178.228   10.174  399.855   45.095  388.784   65.931  409.587   61.815  174.849   15.253  179.774   13.877 -4.924576 20.62063 
1 1 1   18    7   16 o  120.374   10.678  183.323   31.763  208.051   47.996  164.055   42.368  127.465   15.390  112.972   15.421 14.49305 21.78688 
1 1 1   18    7   17 o   98.695   11.594  124.073   28.031  118.294   43.066  128.320   36.923   94.914   18.835   99.687   15.323 -4.773308 24.28026 
1 1 1   18    7   18 o  146.090   14.392  271.769   51.821  241.779   70.031  308.061   77.040  136.094   21.305  154.186   20.518 -18.09251 29.57887 
1 1 1   18    7   19 o  114.303   15.708  168.171   43.651  156.314   58.529  183.032   65.525  108.624   22.323  117.551   23.145 -8.927147 32.15664 
1 1 1   18    7   20 o  508.156   23.677  3320.56  300.447  3039.71  423.193  3605.98  426.621  476.280   35.844  521.680   32.917 -45.39996 48.66568 
1 1 1   18    7   21 f  250.991   15.207  799.433   94.864  724.434  132.865  877.424  135.488  236.505   22.778  261.159   20.952 -24.65414 30.94881 
1 1 1   18    7   22 o  116.799   11.539  173.283   33.216  149.728   53.101  188.425   42.573  106.473   20.717  121.310   14.330 -14.83693 25.19051 
1 1 1   18    7   23 o   88.215   13.182  100.306   28.149   86.138   46.846  108.312   35.215   80.588   22.446   91.124   16.062 -10.53651 27.60134 
1 1 1   18    7   24 o  109.149   11.652  151.783   31.269  124.367   50.226  169.136   39.958   96.520   21.399  114.754   14.251 -18.23429 25.71033 
1 1 1   18    7   25 o  171.121   10.486  370.021   44.592  348.440   69.580  385.063   58.090  164.378   17.206  173.914   13.481 -9.535828 21.85810 
1 1 1   18    7   26 o  208.092   10.587  547.269   54.831  442.938   83.228  627.279   72.884  184.882   18.266  222.100   13.200 -37.21822 22.53654 
1 1 1   18    7   27 o   88.572   12.854  101.504   27.601   96.353   43.742  104.911   35.577   84.444   20.864   89.134   16.594 -4.689835 26.65883 
1 1 1   18    7   28 o   71.545   14.678   67.720   25.344   34.356   39.341   91.388   33.135   56.671   20.970   82.914   16.583 -26.24215 26.73453 
1 1 1   18    7   29 o  106.896   12.021  147.052   31.532  139.188   48.072  152.990   41.774  101.560   19.666  107.877   15.991 -6.316765 25.34665 
1 1 1   18    7   30 o  202.980   10.612  524.325   53.604  424.665   79.848  606.085   72.323  179.380   18.072  217.082   13.407 -37.70224 22.50183 
1 1 1   18    7   31 o   79.539   21.963   88.089   45.060  131.260  124.900   81.629   48.314   97.042   37.047   76.752   23.223 20.29035 43.72370 
1 1 1   18    7   32 o  113.480   13.401  168.097   37.242  168.212   47.480  167.913   60.041  111.843   17.580  109.300   22.738 2.542458 28.74178 
1 1 1   18    7   33 o   40.249   15.033   16.693   20.311   29.450   24.410 -12.0169   36.619   48.763   16.674   39.795   17.834 8.968842 24.41461 
1 1 1   18    7   34 o  126.591   11.607  207.498   36.284  176.829   47.889  248.831   55.595  114.312   17.319  136.287   16.684 -21.97565 24.04778 
1 1 1   18    7   35 o   63.687   15.605   55.601   24.624   55.460   29.399   55.931   45.072   63.270   17.838   64.725   22.631 -1.455051 28.81577 
1 1 1   18    7   36 o   65.380   15.714   59.002   25.338   54.017   29.700   72.330   48.564   62.211   18.056   70.991   23.514 -8.779903 29.64651 
1 1 1   18    8    0 o  301.081   11.423  1138.13   85.883  1154.93  121.746  1121.49  121.171  302.033   16.201  297.573   16.369 4.460632 23.03073 
1 1 1   18    8    1 o  315.897   11.609  1253.07   91.578  1260.88  129.693  1245.31  129.328  315.550   16.516  313.575   16.575 1.975189 23.39884 
1 1 1   18    8    2 o  178.664   10.316  401.660   45.828  388.084   64.936  415.132   64.686  174.847   15.018  180.989   14.432 -6.142349 20.82847 
1 1 1   18    8    3 o  281.866   16.091  1005.92  112.791  995.456  155.089  1017.67  164.335  278.569   22.486  281.298   23.613 -2.728912 32.60659 
1 1 1   18    8    4 o  191.036   14.274  462.069   67.603  468.441   89.766  453.719  102.754  191.340   19.040  187.414   22.399 3.925720 29.39810 
1 1 1   18    8    5 o  356.740   17.688  1610.00  157.571  1436.05  218.597  1798.13  227.337  333.279   26.484  374.049   24.473 -40.77017 36.06015 
1 1 1   18    8    6 o  193.048   9.6377  467.156   46.461  467.032   66.674  467.273   64.779  192.107   13.994  192.232   13.582 -0.1242371 19.50172 
1 1 1   18    8    7 o  283.892   11.033  1011.55   78.214  1015.64  111.371  1007.57  109.867  283.266   15.808  282.171   15.654 1.094543 22.24663 
1 1 1   18    8    8 o  439.229   15.141  2432.73  166.070  2326.62  235.128  2538.35  234.589  426.624   22.147  446.625   21.034 -20.00174 30.54310 
1 1 1   18    8    9 o  144.827   9.8331  264.196   35.352  231.821   51.146  293.813   48.918  134.695   15.488  152.296   12.987 -17.60181 20.21198 
1 1 1   18    8   10 o  121.726   10.590  187.315   31.870  132.376   46.138  237.452   44.075  100.564   19.070  136.778   13.063 -36.21314 23.11513 
1 1 1   18    8   11 o  340.127   12.830  1455.16  108.972  1330.13  154.586  1578.66  153.637  323.161   19.243  353.172   17.420 -30.01102 25.95695 
1 1 1   18    8   12 o  271.188   11.363  923.662   76.949  811.274  109.340  1033.94  108.311  252.577   17.442  285.863   15.228 -33.28548 23.15417 
1 1 1   18    8   13 o  120.673   10.274  184.014   30.665  180.462   45.201  187.043   41.739  118.560   15.650  121.048   14.071 -2.487663 21.04515 
1 1 1   18    8   14 o  378.894   13.222  1807.21  125.106  1796.72  178.069  1817.43  175.807  375.697   19.042  378.459   18.602 -2.761871 26.62062 
1 1 1   18    8   15 f  110.338   10.939  154.349   29.743  130.786   44.391  173.545   40.067  100.023   18.452  116.530   14.052 -16.50706 23.19386 
1 1 1   18    8   16 o  137.891   10.474  240.013   35.796  222.362   53.163  254.653   48.416  131.594   16.544  141.497   13.881 -9.902908 21.59549 
1 1 1   18    8   17 o   98.101   11.738  122.662   28.184  107.170   43.189  134.153   37.196   90.099   19.741  102.034   15.050 -11.93494 24.82393 
1 1 1   18    8   18 o  242.185   10.680  736.509   64.589  685.017   94.093  782.393   88.821  232.138   16.336  248.645   14.366 -16.50693 21.75401 
1 1 1   18    8   19 f  282.770   11.439  1005.03   80.772  959.992  116.836  1046.27  111.788  274.727   17.115  287.275   15.642 -12.54770 23.18624 
1 1 1   18    8   20 f  206.692   10.400  537.785   53.507  520.159   79.471  552.400   72.367  202.173   15.869  208.816   13.958 -6.643127 21.13400 
1 1 1   18    8   21 o  137.589   10.672  239.235   36.380  219.473   56.678  253.083   47.443  130.300   17.891  141.020   13.643 -10.71973 22.49919 
1 1 1   18    8   22 o   65.924   19.695   56.176   34.913   39.506   48.730   73.759   50.045   62.576   23.302   75.830   23.762 -13.25383 33.28110 
1 1 1   18    8   23 o   80.877   23.093   86.479   48.948   86.479   48.948   0.0000   0.0000   80.877   23.093  ?   ?  0.000000 23.09256 
1 1 1   18    8   24 o  213.940   14.315  581.643   76.035  497.971  106.511  668.594  108.578  195.435   22.219  227.895   19.259 -32.46074 29.40443 
1 1 1   18    8   25 o  356.910   13.262  1610.80  118.202  1447.71  171.871  1757.17  162.823  334.790   20.659  371.011   17.574 -36.22125 27.12279 
1 1 1   18    8   26 o  170.764   10.463  368.698   44.403  301.474   69.364  415.371   57.797  152.200   18.640  180.726   12.891 -28.52585 22.66335 
1 1 1   18    8   27 o   60.653   15.595   48.731   23.752   85.959   39.238   27.201   29.840   79.996   19.759   50.323   18.320 29.67270 26.94525 
1 1 1   18    8   28 o   66.896   15.187   59.427   24.790   40.118   39.223   72.271   31.990   59.018   21.067   73.456   17.658 -14.43814 27.48811 
1 1 1   18    8   29 o  171.486   10.543  373.488   44.929  339.522   68.943  398.561   59.234  161.122   17.412  176.214   13.565 -15.09184 22.07235 
1 1 1   18    8   30 o  168.685   10.470  362.024   43.884  314.911   66.244  398.871   58.583  154.712   17.451  176.063   13.426 -21.35092 22.01818 
1 1 1   18    8   31 o  112.398   11.450  162.539   31.689  151.697   46.159  172.204   43.581  106.288   18.036  114.316   15.680 -8.027344 23.89841 
1 1 1   18    8   32 o  127.081   10.955  207.272   34.424  170.692   48.828  243.419   48.539  112.641   17.962  136.484   14.462 -23.84312 23.06064 
1 1 1   18    8   33 o   56.321   21.068   35.366   39.923  203.339  133.075   18.752   41.851  111.212   38.886   51.231   20.843 59.98081 44.11959 
1 1 1   18    8   34 o  124.121   20.389  212.818   61.002  195.789  152.014  216.087   66.599  107.701   40.929  123.951   22.338 -16.25001 46.62771 
1 1 1   18    8   35 o   64.990   15.459   57.665   24.724   63.715   29.782   44.250   44.346   67.852   17.472   60.340   22.277 7.512470 28.31102 
1 1 1   18    8   36 o  160.004   12.045  333.111   47.773  318.077   64.342  351.580   71.316  153.266   17.103  160.473   18.114 -7.206192 24.91199 
1 1 1   18    8   37 o  103.103   13.190  141.219   33.181  134.686   41.035  153.558   56.396   98.622   17.293  102.096   22.707 -3.474220 28.54196 
1 1 1   18    9    0 f  321.181   11.404  1295.35   91.466  1237.26  129.091  1353.90  129.614  312.483   16.603  327.497   15.849 -15.01361 22.95285 
1 1 1   18    9    1 o  326.997   11.252  1342.42   91.883  1398.63  130.239  1286.72  129.647  332.921   15.666  318.773   16.342 14.14764 22.63754 
1 1 1   18    9    2 o  283.075   11.366  1006.09   80.349  952.351  113.575  1059.93  113.685  274.051   16.675  289.390   15.791 -15.33987 22.96568 
1 1 1   18    9    3 o  191.222   14.741  463.474   69.848  520.966   92.722  388.048  106.204  201.954   18.594  172.215   25.463 29.73955 31.53003 
1 1 1   18    9    4 o  338.865   17.394  1456.02  146.697  1338.85  202.814  1584.59  212.442  322.102   25.421  351.010   24.388 -28.90799 35.22805 
1 1 1   18    9    5 o  302.322   11.877  1148.11   89.663  1165.09  127.686  1131.60  125.938  303.151   16.935  298.745   16.951 4.406555 23.96078 
1 1 1   18    9    6 o  282.129   11.071  999.101   77.995  994.928  110.725  1003.21  109.885  280.325   15.883  281.539   15.692 -1.213440 22.32696 
1 1 1   18    9    7 o  277.696   10.636  967.588   73.758  993.277  104.923  942.491  103.707  280.282   15.046  272.949   15.277 7.332855 21.44170 
1 1 1   18    9    8 o  295.832   11.811  1099.40   87.255  1093.24  124.049  1105.44  122.756  293.578   16.993  295.290   16.716 -1.712555 23.83689 
1 1 1   18    9    9 f  178.505   9.8557  400.764   43.763  394.563   62.842  406.602   60.979  176.389   14.392  179.199   13.731 -2.809967 19.89195 
1 1 1   18    9   10 o  469.175   15.698  2778.78  183.919  2767.49  260.682  2789.97  259.524  465.587   22.421  467.562   22.227 -1.975739 31.57159 
1 1 1   18    9   11 o  233.106   9.7165  681.364   56.560  693.607   81.162  669.805   78.865  234.260   13.937  230.223   13.781 4.037003 19.59989 
1 1 1   18    9   12 o  575.078   18.465  4193.83  265.174  4101.93  375.523  4285.22  374.505  564.053   26.660  576.968   25.993 -12.91479 37.23449 
1 1 1   18    9   13 o  335.004   12.027  1410.68  100.612  1371.24  143.172  1449.17  141.417  328.616   17.510  338.489   16.730 -9.873077 24.21794 
1 1 1   18    9   14 o  140.473   10.145  248.843   35.347  250.152   51.699  247.694   48.437  140.026   15.020  139.505   14.097 0.5205383 20.59912 
1 1 1   18    9   15 o  195.614   10.160  481.393   49.461  479.577   71.669  483.045   68.346  194.411   14.875  195.273   14.111 -0.8621368 20.50345 
1 1 1   18    9   16 o  223.441   10.339  626.578   57.686  590.255   83.333  660.000   79.935  215.627   15.581  228.402   14.083 -12.77542 21.00265 
1 1 1   18    9   17 o  210.948   10.359  558.522   54.570  549.946   79.477  566.172   75.061  208.118   15.402  211.421   14.301 -3.303055 21.01778 
1 1 1   18    9   18 o  213.342   9.9529  571.091   53.024  560.323   77.715  580.469   72.529  210.174   14.904  214.208   13.630 -4.034058 20.19656 
1 1 1   18    9   19 o  443.340   15.012  2482.19  166.195  2545.33  237.100  2421.22  233.022  446.406   21.269  435.310   21.436 11.09647 30.19756 
1 1 1   18    9   20 o   90.872   12.570  105.876   27.760  154.558   44.499   74.861   35.518  109.235   16.855   75.284   18.916 33.95084 25.33639 
1 1 1   18    9   21 o  231.263   10.643  671.850   61.462  673.565   91.230  670.425   83.168  230.156   15.972  229.967   14.558 0.1890564 21.61084 
1 1 1   18    9   22 o  174.213   10.505  382.651   45.488  374.602   70.313  388.444   59.652  171.112   16.667  174.931   13.767 -3.819031 21.61728 
1 1 1   18    9   23 o   68.841   14.979   62.228   25.019   53.651   40.666   67.451   31.736   65.747   21.504   71.450   17.841 -5.702263 27.94183 
1 1 1   18    9   24 o  274.711   11.225  949.829   77.007  902.767  113.936  989.408  104.486  265.854   17.255  279.105   15.047 -13.25073 22.89440 
1 1 1   18    9   25 o  188.943   13.911  454.106   65.175  384.769   91.430  525.736   92.930  171.469   21.849  201.966   18.636 -30.49669 28.71736 
1 1 1   18    9   26 o  103.795   15.250  139.710   38.350  163.369   54.645  116.748   53.834  110.973   20.473   92.978   23.248 17.99523 30.97749 
1 1 1   18    9   27 o   76.794   17.174   78.402   32.108   83.764   45.065   72.873   45.759   79.006   22.019   74.334   22.625 4.672798 31.57113 
1 1 1   18    9   28 f   52.436   15.837   35.542   22.483  -5.7421   36.982   59.744   28.316   42.314   18.486   66.935   16.929 -24.62085 25.06660 
1 1 1   18    9   29 o  131.728   10.680  220.895   34.829  236.109   54.678  210.507   45.181  134.457   16.640  127.562   14.438 6.895699 22.03030 
1 1 1   18    9   30 o   67.327   15.017   60.451   24.605   78.619   37.333   46.500   32.716   76.036   19.552   59.985   19.262 16.05048 27.44679 
1 1 1   18    9   31 o  157.330   10.467  315.447   40.889  268.638   61.304  352.960   54.880  142.487   17.603  165.423   13.400 -22.93610 22.12345 
1 1 1   18    9   32 o   97.172   12.224  122.575   29.006  110.508   41.465  134.139   40.591   89.897   19.062  100.135   16.830 -10.23843 25.42851 
1 1 1   18    9   33 f   43.042   15.117   21.721   20.122   17.450   25.159   29.304   33.523   43.136   16.589   51.852   19.324 -8.716743 25.46754 
1 1 1   18    9   34 o   71.009   14.209   67.556   24.316   45.050   30.721  105.305   39.787   58.284   18.660   87.384   18.791 -29.10028 26.48258 
1 1 1   18    9   35 o   45.527   19.110   8.9483   36.708  225.136  151.165  -4.5984   37.840  112.502   41.193   42.236   18.569 70.26532 45.18448 
1 1 1   18    9   36 o  101.997   22.726  150.451   56.403  121.541  163.073  154.380   60.113   92.958   39.698  102.652   23.897 -9.694885 46.33625 
1 1 1   18    9   37 o  107.887   12.761  153.531   33.713  141.749   42.477  173.586   55.418  101.374   17.406  110.289   20.886 -8.915176 27.18867 
1 1 1   18   10    0 o  372.111   12.880  1741.86  119.688  1807.20  169.663  1677.15  168.868  377.690   17.989  363.186   18.683 14.50412 25.93531 
1 1 1   18   10    1 o  401.832   13.483  2032.50  135.297  2130.66  191.569  1934.81  191.109  409.890   18.716  389.805   19.697 20.08514 27.17059 
1 1 1   18   10    2 o  344.231   12.551  1489.86  107.891  1415.94  152.222  1564.48  152.942  333.791   18.332  351.617   17.418 -17.82584 25.28781 
1 1 1   18   10    3 o  628.136   28.647  5104.87  449.345  4925.77  632.038  5287.90  638.958  603.690   42.191  626.833   41.046 -23.14313 58.86314 
1 1 1   18   10    4 o  122.747   14.948  192.691   44.873  203.058   55.916  173.935   75.210  125.322   18.416  114.038   26.854 11.28390 32.56259 
1 1 1   18   10    5 o  245.109   10.951  754.093   67.027  760.903   95.125  747.378   94.461  245.068   15.625  242.863   15.659 2.204453 22.12118 
1 1 1   18   10    6 o  347.453   12.802  1518.23  111.076  1493.34  157.189  1543.06  156.981  342.805   18.430  348.590   18.096 -5.784790 25.82859 
1 1 1   18   10    7 o  249.565   10.148  781.202   63.241  812.778   89.911  750.284   88.969  253.610   14.255  243.541   14.698 10.06923 20.47497 
1 1 1   18   10    8 o  141.668   10.339  253.103   36.325  207.574   52.190  295.884   50.590  127.066   16.864  152.758   13.397 -25.69225 21.53815 
1 1 1   18   10    9 o  390.107   13.366  1915.38  130.207  1976.32  184.821  1855.33  183.468  394.748   18.749  381.835   19.304 12.91290 26.91044 
1 1 1   18   10   10 o  119.549   9.8366  180.428   29.105  201.914   42.840  162.008   39.665  125.880   13.858  112.481   14.456 13.39902 20.02539 
1 1 1   18   10   11 o  294.880   11.668  1092.47   85.921  1054.74  122.279  1129.26  120.756  288.246   17.064  298.509   16.261 -10.26352 23.57084 
1 1 1   18   10   12 o  372.098   12.730  1741.72  118.288  1740.93  167.987  1742.49  166.591  370.593   18.152  370.808   17.991 -0.2151184 25.55718 
1 1 1   18   10   13 o  318.320   11.813  1273.43   93.906  1302.33  133.908  1245.46  131.724  320.433   16.793  313.307   16.899 7.125610 23.82384 
1 1 1   18   10   14 o  258.721   10.745  840.327   69.422  843.038   99.381  837.744   97.017  257.933   15.501  257.197   15.173 0.7362366 21.69101 
1 1 1   18   10   15 o  342.645   12.419  1476.72  106.259  1468.37  151.445  1484.83  149.129  339.885   17.906  341.918   17.525 -2.032379 25.05501 
1 1 1   18   10   16 o  343.903   12.225  1487.35  104.983  1503.18  149.766  1472.06  147.205  344.017   17.491  340.467   17.372 3.550323 24.65184 
1 1 1   18   10   17 o  154.011   10.162  298.929   38.863  303.581   57.350  294.979   52.847  154.365   15.070  152.343   14.050 2.022141 20.60345 
1 1 1   18   10   18 o  168.232   10.527  356.685   44.000  341.953   64.356  369.616   60.293  163.715   15.944  170.613   14.283 -6.897949 21.40597 
1 1 1   18   10   19 f  403.496   13.979  2052.95  140.849  2047.86  201.063  2057.85  197.370  400.402   20.174  402.055   19.658 -1.652863 28.16771 
1 1 1   18   10   20 o  164.788   10.489  342.348   42.939  321.863   64.367  358.774   57.639  158.621   16.491  168.123   13.852 -9.502045 21.53684 
1 1 1   18   10   21 o  122.445   11.856  190.329   35.799  166.323   63.611  201.457   43.308  111.799   23.529  125.604   14.048 -13.80478 27.40412 
1 1 1   18   10   22 o  304.822   16.725  1181.51  126.826  1181.51  126.826   0.0000   0.0000  304.822   16.725  ?   ?  0.000000 16.72527 
1 1 1   18   10   23 o  204.350   10.586  526.187   53.836  502.957   81.105  544.484   71.981  198.479   16.514  207.189   13.994 -8.710007 21.64585 
1 1 1   18   10   24 o  239.237   10.801  719.827   64.528  687.082   96.258  746.552   86.960  231.995   16.728  242.542   14.423 -10.54684 22.08681 
1 1 1   18   10   25 o  183.840   10.500  426.504   48.003  357.892   73.722  477.007   63.249  166.570   18.010  193.892   13.141 -27.32169 22.29439 
1 1 1   18   10   26 f   93.669   12.182  112.575   27.820  139.557   46.228   97.254   34.834  102.894   18.679   85.931   16.835 16.96294 25.14634 
1 1 1   18   10   27 o  133.698   10.661  226.748   35.297  208.803   56.702  238.100   45.100  126.256   18.536  136.419   13.412 -10.16383 22.87981 
1 1 1   18   10   28 o   91.198   15.297  108.882   33.603   80.358   44.813  145.520   50.789   77.358   22.098  104.299   20.230 -26.94145 29.96010 
1 1 1   18   10   29 o  163.399   13.851  342.714   55.986  304.891   77.836  383.259   80.588  151.312   21.180  170.797   19.229 -19.48465 28.60676 
1 1 1   18   10   30 o  107.576   14.818  151.025   38.749  131.037   51.227  177.758   59.242   97.902   21.539  114.427   21.522 -16.52499 30.44868 
1 1 1   18   10   31 o  113.491   11.292  165.286   31.578  140.773   47.521  184.669   42.257  102.015   19.362  119.029   14.518 -17.01378 24.20041 
1 1 1   18   10   32 o  153.563   10.642  301.141   40.557  268.556   60.268  328.109   54.829  142.385   17.306  159.090   13.942 -16.70544 22.22314 
1 1 1   18   10   33 o   93.923   12.094  114.684   27.706   81.718   38.261  151.030   40.174   76.859   19.810  106.771   15.522 -29.91167 25.16689 
1 1 1   18   10   34 o   93.957   12.564  115.349   28.740  122.208   38.605  106.820   43.044   95.183   16.859   87.628   20.099 7.555122 26.23307 
1 1 1   18   10   35 o   59.386   14.842   47.784   21.949   31.988   26.658   81.022   38.672   50.668   17.422   76.036   20.072 -25.36808 26.57837 
1 1 1   18   10   36 o   36.253   14.030   11.794   18.085   13.660   20.640   5.6245   37.525   38.707   14.987   44.814   19.088 -6.107117 24.26861 
1 1 1   18   10   37 o   84.789   14.118   96.476   28.842   99.038   35.847   91.772   48.569   84.459   17.568   79.166   23.122 5.293587 29.03939 
1 1 1   18   10   38 o   70.351   23.386   71.673   48.023  369.665  180.911   49.083   49.810  128.620   45.315   62.261   23.484 66.35873 51.03841 
1 1 1   18   11    0 o  271.157   11.065  923.316   74.923  917.922  105.926  928.715  105.987  269.112   15.832  270.716   15.746 -1.604553 22.32908 
1 1 1   18   11    1 o  196.520   9.4640  484.211   46.444  467.065   65.814  501.221   65.552  192.079   13.813  199.117   13.259 -7.037796 19.14711 
1 1 1   18   11    2 o  242.156   11.098  736.306   67.113  694.401   94.771  778.460   95.053  233.852   16.331  247.880   15.432 -14.02757 22.46936 
1 1 1   18   11    3 o  208.268   14.123  548.942   73.018  479.336   95.186  648.472  113.821  193.201   20.020  224.878   20.494 -31.67656 28.64932 
1 1 1   18   11    4 o  511.803   24.164  3357.10  308.829  3364.35  433.277  3349.60  440.310  504.594   34.594  502.933   35.282 1.660675 49.41246 
1 1 1   18   11    5 f  301.512   12.080  1142.57   90.951  1098.02  128.607  1187.14  128.642  293.993   17.599  305.930   16.904 -11.93723 24.40215 
1 1 1   18   11    6 f  131.911   9.8497  219.413   32.212  229.107   46.003  210.087   45.119  134.169   13.933  128.348   14.321 5.821442 19.98109 
1 1 1   18   11    7 o  186.162   10.788  436.431   49.938  432.762   71.112  440.000   70.145  184.526   15.578  186.147   15.223 -1.620880 21.78126 
1 1 1   18   11    8 o  191.849   10.300  463.081   49.165  449.180   69.820  476.753   69.242  188.135   14.986  193.975   14.397 -5.840286 20.78123 
1 1 1   18   11    9 o  148.297   9.9217  277.043   36.530  295.069   52.649  260.309   50.728  152.423   13.988  143.010   14.401 9.412613 20.07601 
1 1 1   18   11   10 o  330.169   12.298  1370.58  101.394  1361.40  143.901  1379.64  142.889  327.404   17.666  329.673   17.418 -2.268463 24.80906 
1 1 1   18   11   11 o  271.764   11.110  927.436   75.395  970.101  107.585  886.261  105.691  276.748   15.631  264.368   16.086 12.38004 22.42984 
1 1 1   18   11   12 o  307.188   11.567  1185.60   88.732  1245.34  126.535  1127.81  124.463  313.486   16.219  298.130   16.786 15.35672 23.34183 
1 1 1   18   11   13 o  605.615   19.519  4661.93  295.199  4642.68  417.960  4681.09  416.991  598.825   27.950  601.439   27.764 -2.614563 39.39617 
1 1 1   18   11   14 o  160.885   10.360  326.167   41.400  307.615   59.773  343.272   57.395  155.303   15.625  164.441   14.114 -9.137756 21.05539 
1 1 1   18   11   15 f  368.108   13.490  1706.71  124.001  1641.58  176.076  1770.80  174.662  358.734   19.731  372.979   18.813 -14.24484 27.26263 
1 1 1   18   11   16 o  219.923   10.546  607.158   57.919  589.480   83.557  623.506   80.355  215.460   15.636  221.858   14.585 -6.397873 21.38288 
1 1 1   18   11   17 o  214.783   10.968  580.883   58.633  501.615   84.104  655.839   81.785  198.300   17.153  227.574   14.466 -29.27432 22.43880 
1 1 1   18   11   18 o  171.718   9.8264  371.136   41.962  349.109   61.564  390.248   57.346  165.622   15.050  175.551   13.177 -9.929001 20.00331 
1 1 1   18   11   19 o   96.499   12.010  118.886   28.315   96.005   43.633  135.530   37.215   85.106   20.724  102.565   14.971 -17.45878 25.56594 
1 1 1   18   11   20 o  151.640   10.399  290.057   39.139  300.314   58.744  281.869   52.486  153.370   15.553  148.798   14.301 4.572021 21.12900 
1 1 1   18   11   21 o  184.262   10.579  427.843   48.474  399.069   72.655  450.927   65.075  176.724   16.660  188.568   13.918 -11.84366 21.70859 
1 1 1   18   11   22 o  299.172   11.864  1126.22   88.634  1118.18  128.487  1133.52  122.428  296.292   17.443  298.639   16.480 -2.347290 23.99677 
1 1 1   18   11   23 o  281.467   11.338  996.529   79.689  966.826  116.692  1022.49  109.086  275.463   17.048  283.811   15.450 -8.348328 23.00709 
1 1 1   18   11   24 o  302.916   11.915  1155.70   90.133  1104.76  131.624  1200.67  123.681  294.016   18.014  307.230   16.178 -13.21420 24.21226 
1 1 1   18   11   25 o  333.768   12.423  1405.27  103.540  1364.17  151.005  1441.73  142.243  326.297   18.609  336.176   16.999 -9.878998 25.20473 
1 1 1   18   11   26 o  140.658   10.324  250.279   36.010  277.730   57.816  232.880   46.028  146.939   16.016  134.939   13.856 12.00005 21.17802 
1 1 1   18   11   27 o   69.537   14.264   63.557   23.938   33.752   40.594   79.446   29.639   57.248   21.278   77.619   15.828 -20.37138 26.51936 
1 1 1   18   11   28 o  166.563   10.240  351.096   42.386  349.425   66.898  352.217   54.785  164.430   16.515  166.067   13.323 -1.636703 21.21933 
1 1 1   18   11   29 f  176.648   10.484  395.530   46.038  368.139   71.795  414.659   59.998  168.223   17.339  180.033   13.442 -11.80963 21.93943 
1 1 1   18   11   30 o  119.081   10.904  181.048   32.064  130.188   50.448  215.519   41.532   97.755   21.271  129.438   13.026 -31.68349 24.94209 
1 1 1   18   11   31 o   59.399   17.692   46.735   28.203   44.148   34.641   51.824   48.574   59.182   19.865   65.550   23.439 -6.367779 30.72478 
1 1 1   18   11   32 o   59.032   17.699   46.337   28.156   49.168   33.070   38.878   53.679   61.107   19.339   62.272   24.152 -1.165543 30.94080 
1 1 1   18   11   33 o  162.644   14.265  344.103   57.352  357.746   73.406  322.725   91.888  163.828   18.253  151.370   25.195 12.45789 31.11213 
1 1 1   18   11   34 o   94.100   12.634  115.657   28.938  126.493   39.692  103.362   42.278   96.874   17.029   86.292   20.009 10.58245 26.27441 
1 1 1   18   11   35 o   93.968   12.127  115.204   27.793   96.503   36.470  141.109   42.924   83.834   17.961  102.036   17.475 -18.20157 25.05944 
1 1 1   18   11   36 o   97.867   12.608  125.602   30.096  122.698   38.994  129.881   47.330   94.913   17.080   96.187   20.340 -1.273697 26.56056 
1 1 1   18   11   37 o   46.494   15.140   27.961   20.166   32.848   23.472   14.185   39.406   50.115   16.335   48.154   19.973 1.961178 25.80201 
1 1 1   18   11   38 o   37.814   14.257   14.682   18.354   19.361   20.461  -4.5937   41.530   41.411   15.156   43.690   19.320 -2.279530 24.55536 
1 1 1   18   12    0 o  411.049   16.722  2138.42  171.647  2145.84  208.725  2122.93  301.683  410.429   20.365  402.478   30.237 7.950836 36.45586 
1 1 1   18   12    1 o  140.271   12.458  249.412   43.183  230.534   49.497  309.578   88.363  134.346   15.010  153.731   23.785 -19.38478 28.12569 
1 1 1   18   12    2 o  526.075   17.166  3503.99  225.515  3431.91  318.680  3576.28  319.174  516.831   24.692  527.876   24.213 -11.04510 34.58255 
1 1 1   18   12    3 o  239.202   11.189  718.633   66.835  670.107   94.493  767.213   94.544  229.605   16.592  246.030   15.467 -16.42453 22.68325 
1 1 1   18   12    4 o  263.040   16.569  878.322  108.279  1041.58  148.090  690.785  158.722  285.192   20.940  229.418   28.305 55.77322 35.20916 
1 1 1   18   12    5 o  456.745   15.040  2632.23  171.539  2707.37  243.444  2558.12  241.751  460.874   21.153  447.786   21.620 13.08755 30.24636 
1 1 1   18   12    6 o  418.732   14.447  2210.48  151.068  2172.61  213.546  2248.41  213.740  412.519   20.797  420.321   20.364 -7.801727 29.10635 
1 1 1   18   12    7 o  362.092   13.601  1651.12  122.977  1584.89  173.844  1717.45  173.988  352.543   19.827  367.331   19.033 -14.78732 27.48403 
1 1 1   18   12    8 o   98.716   10.576  123.685   25.666  118.539   37.016  128.450   35.618   95.605   16.075   99.888   14.721 -4.282631 21.79682 
1 1 1   18   12    9 o  423.180   14.670  2258.48  155.022  2248.66  219.401  2268.27  219.067  420.104   20.914  421.982   20.789 -1.877808 29.48831 
1 1 1   18   12   10 o  195.583   9.9598  481.073   48.483  469.140   69.232  492.557   67.918  192.358   14.520  197.253   13.877 -4.895462 20.08443 
1 1 1   18   12   11 o  383.893   12.928  1854.63  123.936  1923.42  175.868  1786.76  174.680  389.493   18.082  375.221   18.643 14.27164 25.97096 
1 1 1   18   12   12 o  376.567   12.807  1784.35  120.429  1847.85  171.013  1721.89  169.620  381.791   17.937  367.925   18.521 13.86563 25.78297 
1 1 1   18   12   13 o  369.473   13.137  1718.56  121.209  1727.66  172.148  1709.62  170.692  368.424   18.774  366.512   18.712 1.911346 26.50638 
1 1 1   18   12   14 o  440.602   15.165  2450.82  166.852  2382.80  236.308  2518.45  235.622  431.307   22.013  444.299   21.237 -12.99152 30.58751 
1 1 1   18   12   15 o  530.016   16.565  3554.37  219.252  3653.01  311.037  3456.94  309.111  533.870   23.331  519.045   23.848 14.82574 33.36257 
1 1 1   18   12   16 o  271.995   11.294  929.500   76.713  934.988  109.637  924.236  107.377  271.429   16.250  269.925   16.001 1.504242 22.80581 
1 1 1   18   12   17 o  358.652   12.649  1618.80  113.288  1595.99  161.361  1640.97  159.091  354.147   18.308  359.745   17.709 -5.597809 25.47190 
1 1 1   18   12   18 o  366.293   12.664  1688.73  115.837  1755.00  165.234  1624.68  162.437  371.970   17.789  357.300   18.267 14.66983 25.49708 
1 1 1   18   12   19 o  110.916   11.181  156.123   30.547  136.892   45.895  171.417   40.929  102.286   18.655  115.679   14.486 -13.39335 23.61942 
1 1 1   18   12   20 o  210.651   14.915  563.174   77.950   0.0000   0.0000  563.174   77.950  ?   ?   210.651   14.915 0.000000 14.91477 
1 1 1   18   12   21 o  161.769   15.387  333.753   61.410  333.753   61.410   0.0000   0.0000  161.769   15.387  ?   ?  0.000000 15.38698 
1 1 1   18   12   22 o  131.499   11.330  219.010   36.841  141.327   55.904  278.645   48.981  103.090   22.359  148.070   13.392 -44.97917 26.06286 
1 1 1   18   12   23 o  282.871   11.314  1006.45   79.918  1051.43  117.142  967.285  109.308  287.527   16.383  275.883   15.934 11.64386 22.85364 
1 1 1   18   12   24 o  141.724   10.843  254.034   38.084  198.063   59.233  293.476   49.723  122.998   19.970  151.943   13.237 -28.94470 23.95839 
1 1 1   18   12   25 o  341.373   12.527  1470.12  106.793  1448.54  155.278  1489.48  147.109  336.330   18.560  341.619   17.301 -5.288605 25.37302 
1 1 1   18   12   26 o  401.938   14.094  2046.24  141.464  2055.93  204.237  2037.31  196.129  399.225   20.556  398.360   19.716 0.8648071 28.48280 
1 1 1   18   12   27 o  206.139   10.483  536.661   53.785  500.614   82.875  562.891   70.695  197.252   16.991  210.347   13.530 -13.09511 21.71989 
1 1 1   18   12   28 o  249.437   10.940  785.409   68.146  737.315  102.698  823.244   91.090  239.159   17.313  253.973   14.422 -14.81351 22.53295 
1 1 1   18   12   29 o  191.626   10.546  465.149   50.271  467.554   78.391  463.470   65.516  190.111   16.681  190.288   13.883 -0.1767273 21.70263 
1 1 1   18   12   30 o   49.313   15.499   31.008   21.272   35.410   34.885   28.403   26.839   55.555   19.864   49.558   17.454 5.996571 26.44271 
1 1 1   18   12   31 o   90.643   11.953  106.245   26.395   95.297   41.753  113.533   34.065   83.519   20.233   92.823   15.224 -9.303764 25.32099 
1 1 1   18   12   32 o  127.152   10.902  206.908   34.281  206.118   52.655  207.489   45.163  124.640   17.391  126.136   14.609 -1.495422 22.71251 
1 1 1   18   12   33 o   67.005   14.110   59.932   22.863   33.053   31.966   88.084   32.714   53.105   19.012   80.774   16.767 -27.66894 25.34935 
1 1 1   18   12   34 o   94.131   16.123  118.605   36.535  136.220   42.120   65.078   73.423  100.514   17.411   74.064   28.373 26.45042 33.28974 
1 1 1   18   12   35 o  153.705   14.901  310.267   56.474  330.565   68.503  267.203   99.780  157.114   17.772  132.530   30.745 24.58388 35.51189 
1 1 1   18   12   36 o  137.087   11.362  242.652   38.545  197.157   53.286  292.585   55.825  120.335   18.310  148.752   15.244 -28.41718 23.82479 
1 1 1   18   12   37 f   40.068   14.423   18.289   18.422   22.252   21.372   6.8385   36.333   43.565   15.551   44.520   18.866 -0.9552002 24.44909 
1 1 1   18   12   38 o   49.673   14.892   33.181   19.933   19.930   23.011   73.025   39.901   42.866   16.003   71.364   20.990 -28.49859 26.39436 
1 1 1   18   13    0 o  444.192   16.861  2499.19  187.030  2359.89  226.889  2794.54  330.373  429.888   21.135  462.691   28.735 -32.80310 35.67091 
1 1 1   18   13    1 f  144.534   12.477  264.773   44.591  231.060   51.012  373.986   91.814  134.374   15.485  169.652   22.205 -35.27878 27.07135 
1 1 1   18   13    2 o  204.915   11.902  529.702   60.639  508.602   71.394  584.344  114.888  200.306   14.368  212.767   21.938 -12.46100 26.22445 
1 1 1   18   13    3 o  533.634   18.854  3617.49  251.242  3335.44  305.775  4203.61  440.788  509.695   24.024  566.056   31.305 -56.36115 39.46041 
1 1 1   18   13    4 o  317.780   17.646  1283.70  139.477  1358.48  192.033  1200.21  202.918  324.589   23.859  303.620   27.046 20.96838 36.06584 
1 1 1   18   13    5 o  368.229   18.700  1725.76  171.391  1663.62  236.914  1793.99  248.250  358.026   26.691  371.733   26.925 -13.70657 37.91249 
1 1 1   18   13    6 o  169.504   10.735  362.149   45.207  301.654   63.882  422.834   63.982  153.483   16.950  182.617   14.141 -29.13379 22.07409 
1 1 1   18   13    7 o  417.891   13.447  2199.35  140.324  2240.19  198.517  2158.58  198.379  419.985   18.928  412.135   19.276 7.849945 27.01531 
1 1 1   18   13    8 o  373.318   13.424  1755.14  125.144  1688.04  176.829  1822.48  177.133  363.882   19.531  378.883   18.722 -15.00034 27.05504 
1 1 1   18   13    9 o  320.981   12.396  1295.89   99.362  1240.68  140.628  1350.93  140.410  312.276   18.111  326.159   17.301 -13.88336 25.04701 
1 1 1   18   13   10 o  222.985   10.380  624.047   57.801  618.464   82.104  629.533   81.386  220.880   14.974  222.917   14.703 -2.036316 20.98545 
1 1 1   18   13   11 o   89.058   11.644  101.340   25.276   72.591   36.944  126.638   34.656   74.239   19.629   99.212   14.410 -24.97319 24.34994 
1 1 1   18   13   12 f  137.858   10.383  239.865   35.481  215.314   51.051  262.804   49.349  129.543   16.131  143.751   13.922 -14.20845 21.30750 
1 1 1   18   13   13 o  459.785   15.179  2669.24  174.282  2728.13  246.997  2610.84  245.951  462.300   21.395  452.071   21.787 10.22870 30.53553 
1 1 1   18   13   14 o  242.133   11.102  736.458   67.127  724.541   95.835  747.935   94.054  238.839   16.163  242.822   15.593 -3.983231 22.45908 
1 1 1   18   13   15 o  278.287   11.304  973.059   78.558  1020.65  112.060  927.066  110.159  283.721   15.880  270.220   16.403 13.50098 22.83034 
1 1 1   18   13   16 o  308.674   13.725  1200.78  105.794  1181.61  131.497  1235.94  178.130  304.889   17.343  309.712   23.200 -4.822540 28.96615 
1 1 1   18   13   17 o  350.203   16.188  1551.41  141.570  1978.91  210.957  1201.13  190.955  392.999   21.578  304.344   25.356 88.65506 33.29506 
1 1 1   18   13   18 o  123.964   15.448  197.078   46.783  145.202   86.544  218.495   55.607  104.349   30.972  130.153   17.557 -25.80478 35.60184 
1 1 1   18   13   19 o  184.441   15.277  432.692   69.728  349.801  113.674  482.696   88.290  161.670   29.233  194.099   18.437 -32.42929 34.56107 
1 1 1   18   13   20 o  189.656   14.974  457.125   70.340  456.793  117.698  457.310   87.732  186.395   25.994  188.735   18.867 -2.340164 32.11939 
1 1 1   18   13   21 o  205.782   16.069  539.200   81.921  407.559  131.600  622.483  104.675  173.797   31.481  220.313   19.219 -46.51607 36.88413 
1 1 1   18   13   22 o  189.674   14.051  456.519   66.079  661.089  117.818  362.639   79.814  226.421   21.080  167.627   19.427 58.79443 28.66646 
1 1 1   18   13   23 o  206.989   16.312  546.375   83.632  392.185  134.788  642.893  106.642  169.502   33.031  223.749   19.274 -54.24693 38.24325 
1 1 1   18   13   24 o  324.044   18.422  1342.30  148.454  1274.73  222.937  1396.13  198.991  310.441   29.097  327.618   24.500 -17.17703 38.03811 
1 1 1   18   13   25 o  201.600   15.504  518.363   77.455  562.798  135.298  496.701   94.467  205.958   26.953  196.105   19.551 9.853180 33.29742 
1 1 1   18   13   26 o  597.921   22.007  4619.49  328.592  4737.93  405.007  4391.38  562.082  600.435   27.011  559.993   40.467 40.44250 48.65373 
1 1 1   18   13   27 o  225.168   10.375  638.529   58.336  707.242   88.810  586.381   77.368  235.359   15.192  214.426   14.535 20.93242 21.02491 
1 1 1   18   13   28 o  162.507   10.402  334.284   41.991  326.215   66.115  339.740   54.363  158.760   16.938  163.091   13.469 -4.331604 21.64037 
1 1 1   18   13   29 o  247.655   10.848  775.015   67.086  763.877  102.111  783.474   88.986  243.275   16.913  247.468   14.462 -4.192825 22.25375 
1 1 1   18   13   30 o   96.382   11.492  119.344   27.115  121.443   44.760  118.128   34.079   94.977   19.525   95.016   14.849 -0.3917694E-01 24.52954 
1 1 1   18   13   31 o  167.072   10.245  354.593   42.536  371.041   66.702  343.319   55.221  168.886   16.007  163.299   13.667 5.587097 21.04797 
1 1 1   18   13   32 o  135.577   10.058  234.152   33.811  222.191   52.267  242.760   44.337  129.912   16.482  137.131   13.107 -7.219299 21.05819 
1 1 1   18   13   33 o   93.963   11.854  114.411   27.195  132.723   40.304   99.106   36.847   99.652   16.793   85.480   17.839 14.17184 24.49961 
1 1 1   18   13   34 o   53.612   14.824   38.453   20.511   37.058   27.410   40.227   30.918   53.739   17.659   56.104   18.768 -2.365520 25.76963 
1 1 1   18   13   35 o  139.753   11.500  251.586   39.776  286.026   57.917  220.840   54.723  147.037   16.033  128.297   17.540 18.74007 23.76375 
1 1 1   18   13   36 o   98.825   12.071  127.328   29.169  133.547   38.885  119.324   44.111   99.661   16.180   92.604   19.682 7.057045 25.47833 
1 1 1   18   13   37 o   84.352   15.636   96.355   31.722   76.472   33.105  319.503  110.905   74.146   18.049  142.210   32.003 -68.06433 36.74199 
1 1 1   18   13   38 o   42.132   15.289   20.277   20.757   17.390   21.054  120.552  124.067   40.713   15.286   89.214   36.033 -48.50100 39.14103 
1 1 1   18   14    0 o  105.244   13.764  141.988   35.308  139.695   39.286  151.625   80.530  103.997   15.609  106.107   29.385 -2.109970 33.27393 
1 1 1   18   14    1 o  424.918   16.367  2286.01  173.672  2209.80  210.633  2447.83  306.937  416.246   20.264  432.809   28.559 -16.56332 35.01820 
1 1 1   18   14    2 o  440.772   17.745  2465.21  195.318  2501.99  237.705  2388.78  342.698  442.386   21.517  424.889   32.546 17.49692 39.01596 
1 1 1   18   14    3 o  359.712   15.247  1634.75  136.963  1616.27  165.672  1674.67  243.438  356.162   18.693  358.501   27.400 -2.338562 33.16877 
1 1 1   18   14    4 o  232.679   11.352  680.381   65.959  613.541   77.918  849.384  123.898  220.099   14.253  257.695   19.396 -37.59630 24.06948 
1 1 1   18   14    5 o  278.059   16.263  981.362  112.430  990.384  152.529  970.628  166.373  277.410   22.204  273.691   24.606 3.718872 33.14315 
1 1 1   18   14    6 o  140.093   9.9938  247.500   34.733  263.557   49.401  231.804   48.842  143.943   13.917  134.748   14.757 9.195328 20.28403 
1 1 1   18   14    7 o  339.183   11.628  1446.08   98.493  1483.63  139.224  1408.45  139.355  342.466   16.280  333.131   16.806 9.335205 23.39795 
1 1 1   18   14    8 o  245.512   11.567  757.582   70.917  685.259  100.297  829.890  100.287  231.904   17.447  255.771   15.779 -23.86674 23.52372 
1 1 1   18   14    9 o  531.488   16.531  3574.63  219.403  3644.53  310.357  3504.80  310.207  533.162   23.311  522.568   23.772 10.59375 33.29369 
1 1 1   18   14   10 o  413.845   14.587  2160.93  150.754  2114.19  213.241  2207.64  213.156  406.543   21.077  416.184   20.510 -9.640869 29.40896 
1 1 1   18   14   11 o  249.031   10.061  778.216   62.565  823.169   89.011  734.320   87.958  255.150   14.024  240.792   14.698 14.35759 20.31517 
1 1 1   18   14   12 o  138.538   10.153  242.140   34.880  223.668   50.102  259.513   48.588  132.190   15.470  142.850   13.792 -10.65993 20.72557 
1 1 1   18   14   13 o  243.507   10.374  744.335   63.083  743.204   89.789  745.437   88.647  242.190   14.919  242.606   14.702 -0.4158478 20.94541 
1 1 1   18   14   14 o  112.449   10.058  159.926   27.945  194.077   41.265  130.996   37.980  123.374   13.621  100.675   15.613 22.69879 20.71941 
1 1 1   18   14   15 o  337.336   14.197  1435.22  119.593  1473.70  148.412  1363.96  201.963  340.512   17.513  324.535   25.116 15.97678 30.61896 
1 1 1   18   14   16 o  401.728   19.974  2055.60  200.376  2059.10  289.196  2052.38  277.891  396.586   29.411  396.648   28.240 -0.6286621E-01 40.77378 
1 1 1   18   14   17 o  217.101   14.582  597.451   78.594  635.796  123.563  571.396  101.854  221.724   22.634  211.031   19.550 10.69298 29.90794 
1 1 1   18   14   18 o  222.834   14.252  628.933   78.889  759.692  126.221  545.110  101.060  243.080   21.000  205.959   19.897 37.12091 28.92904 
1 1 1   18   14   19 o  211.543   14.816  567.822   77.772   0.0000   0.0000  567.822   77.772  ?   ?   211.543   14.816 0.000000 14.81578 
1 1 1   18   14   20 o  109.781   31.040  162.731   88.886  162.731   88.886   0.0000   0.0000  109.781   31.040  ?   ?  0.000000 31.04005 
1 1 1   18   14   21 o  221.387   13.444  620.189   73.974  485.009  140.104  672.441   87.105  190.307   30.512  230.131   15.244 -39.82411 34.10800 
1 1 1   18   14   22 o  231.130   10.171  670.879   58.705  764.516   87.363  593.789   79.269  245.641   14.304  216.273   14.766 29.36760 20.55809 
1 1 1   18   14   23 o  239.217   10.862  719.419   64.887  699.842   95.913  735.940   88.110  234.347   16.495  240.829   14.722 -6.482437 22.10891 
1 1 1   18   14   24 o  556.264   21.148  3969.80  293.768  4108.75  517.907  3903.88  356.703  548.789   38.026  547.826   26.074 0.9628906 46.10699 
1 1 1   18   14   25 o  126.037   13.105  202.673   40.644  273.790  105.697  190.333   44.029  141.292   30.824  121.736   14.787 19.55572 34.18716 
1 1 1   18   14   26 o  283.438   13.779  1016.80   97.528  1045.19  188.792  1006.47  113.904  280.798   27.268  280.790   16.315 0.8239746E-02 31.77583 
1 1 1   18   14   27 o  389.958   19.273  1955.29  187.683  2189.14  281.263  1767.58  251.991  405.423   27.952  364.164   27.923 41.25891 39.50949 
1 1 1   18   14   28 o   72.072   19.009   69.357   34.704  101.687  108.619   65.681   36.623   93.055   34.762   70.315   19.939 22.74040 40.07500 
1 1 1   18   14   29 o  245.767   16.048  776.839   97.948  910.156  167.024  706.960  120.924  260.164   26.059  231.949   21.108 28.21420 33.53556 
1 1 1   18   14   30 o  102.370   18.255  139.435   44.954   45.416  118.809  155.145   48.565   82.448   34.478  107.966   18.690 -25.51801 39.21796 
1 1 1   18   14   31 o  313.521   14.050  1258.68  110.001  1239.82  139.463  1289.73  178.946  308.102   18.207  310.004   23.286 -1.901978 29.55891 
1 1 1   18   14   32 o   76.390   13.072   76.605   24.040  126.232   38.775   45.617   30.639   97.440   16.526   59.062   18.607 38.37862 24.88607 
1 1 1   18   14   33 o   51.164   14.930   34.577   20.258   39.142   29.800   30.655   27.622   55.475   18.421   50.636   17.716 4.838619 25.55764 
1 1 1   18   14   34 o   71.914   12.877   68.281   22.276   37.186   31.224  100.511   31.789   54.731   18.853   86.857   15.210 -32.12584 24.22372 
1 1 1   18   14   35 o   80.401   13.227   85.326   25.634  114.052   35.765   54.982   36.758   92.185   16.123   63.965   20.405 28.22054 26.00613 
1 1 1   18   14   36 o   59.468   14.365   47.763   21.092   46.277   26.971   50.102   33.845   58.482   17.273   61.122   19.588 -2.640488 26.11607 
1 1 1   18   14   37 o  130.329   11.538  219.985   37.162  187.130   50.816  257.757   54.486  117.196   17.934  138.973   15.992 -21.77794 24.02836 
1 1 1   18   14   38 o   67.501   20.965   64.104   39.052   0.0000   0.0000   64.104   39.052  ?   ?    67.501   20.965 0.000000 20.96464 
1 1 1   18   14   39 o  106.088   41.905  226.366  164.081   0.0000   0.0000  226.366  164.081  ?   ?   106.088   41.905 0.000000 41.90540 
1 1 1   18   15    0 o  180.846   11.532  413.004   51.807  368.270   59.464  553.939  105.546  170.234   14.115  207.228   20.672 -36.99336 25.03118 
1 1 1   18   15    1 o  474.468   17.987  2860.57  213.115  2720.07  258.827  3156.36  375.546  460.407   22.512  489.355   30.890 -28.94833 38.22317 
1 1 1   18   15    2 o  363.158   15.295  1667.46  138.702  1672.92  167.850  1655.70  246.291  362.217   18.620  355.776   27.947 6.441162 33.58144 
1 1 1   18   15    3 o  154.795   12.734  303.749   48.788  333.575   56.675  218.390   95.878  161.991   14.152  126.723   30.636 35.26837 33.74678 
1 1 1   18   15    4 o  328.504   13.678  1360.69  112.203  1254.24  134.916  1599.46  202.060  314.033   17.271  352.308   23.095 -38.27545 28.83835 
1 1 1   18   15    5 o  165.025   15.232  346.956   62.063  412.856   79.114  241.504  100.078  179.504   17.888  133.371   30.687 46.13342 35.51949 
1 1 1   18   15    6 o  448.861   22.396  2580.88  251.033  2802.91  351.028  2348.47  359.138  461.873   30.608  419.754   34.570 42.11917 46.17272 
1 1 1   18   15    7 o  234.099   12.898  692.148   75.108  743.640   89.873  572.908  136.763  242.217   14.931  208.857   26.844 33.35994 30.71680 
1 1 1   18   15    8 o  161.273   9.7118  327.481   38.930  335.405   55.368  319.734   54.747  162.546   13.770  158.639   13.962 3.907166 19.61002 
1 1 1   18   15    9 o  214.936   9.8855  579.696   53.059  632.340   75.401  528.058   74.677  223.596   13.568  204.006   14.758 19.58980 20.04760 
1 1 1   18   15   10 o  151.782   9.2134  289.942   34.756  346.695   50.193  237.660   48.175  165.563   12.227  136.523   14.345 29.03995 18.84884 
1 1 1   18   15   11 o  292.259   11.722  1073.96   85.554  1139.61  121.469  1009.33  120.519  299.666   16.293  281.697   17.215 17.96942 23.70315 
1 1 1   18   15   12 o   89.217   11.737  101.769   25.515   93.184   37.137  109.445   35.115   84.112   18.208   91.768   15.899 -7.655594 24.17307 
1 1 1   18   15   13 o  387.977   13.684  1897.43  132.580  1926.31  187.794  1868.72  187.199  389.090   19.328  382.636   19.658 6.454254 27.56799 
1 1 1   18   15   14 o  173.966   9.3069  380.621   40.285  422.944   57.677  340.308   56.292  182.863   12.710  163.713   13.901 19.15056 18.83523 
1 1 1   18   15   15 o  382.062   17.776  1852.09  169.596  2180.64  247.897  1563.02  232.531  411.106   24.255  346.418   27.096 64.68875 36.36581 
1 1 1   18   15   16 o  177.573   14.575  400.595   64.061  339.236  102.100  440.434   82.270  160.081   26.466  185.449   17.991 -25.36757 32.00178 
1 1 1   18   15   17 o  144.319   14.890  265.736   52.891  185.208   90.255  307.855   65.274  116.857   30.576  154.941   17.158 -38.08436 35.06150 
1 1 1   18   15   18 o  104.727   11.226  139.394   28.902  124.877   43.754  150.632   38.496   97.571   18.637  108.288   14.609 -10.71723 23.68006 
1 1 1   18   15   19 o  322.011   12.406  1305.27   99.759  1255.78  142.000  1353.50  140.179  313.888   18.194  326.234   17.268 -12.34705 25.08426 
1 1 1   18   15   20 o  201.673   10.326  512.071   51.829  528.628   75.620  497.403   71.176  204.004   14.948  197.956   14.499 6.047760 20.82469 
1 1 1   18   15   21 o  174.006   10.639  381.812   46.008  362.593   67.586  398.409   62.808  168.433   16.271  177.067   14.327 -8.633743 21.67989 
1 1 1   18   15   22 o  251.307   11.512  794.490   72.243  785.584  104.710  802.581   99.802  248.251   16.993  251.226   15.992 -2.974915 23.33414 
1 1 1   18   15   23 o   96.083   12.209  118.098   28.632  103.479   45.542  127.653   36.817   88.184   20.985   99.312   15.340 -11.12844 25.99376 
1 1 1   18   15   24 o  373.962   12.978  1764.45  121.196  1883.65  174.769  1654.03  168.212  384.461   18.204  359.570   18.799 24.89108 26.16831 
1 1 1   18   15   25 o  258.048   11.765  839.100   75.814  712.102  110.630  951.551  104.102  235.292   18.990  273.526   15.302 -38.23405 24.38828 
1 1 1   18   15   26 o  117.268   10.960  174.670   31.722  160.522   50.838  183.692   40.595  110.468   19.121  119.700   13.836 -9.232346 23.60189 
1 1 1   18   15   27 o  320.201   12.198  1295.53   97.534  1306.44  142.615  1285.93  133.684  318.870   17.984  316.846   16.957 2.023895 24.71769 
1 1 1   18   15   28 o   74.060   13.309   71.600   23.708   56.749   40.906   79.111   29.093   66.694   21.552   77.441   15.584 -10.74747 26.59559 
1 1 1   18   15   29 o   92.828   11.816  110.786   26.770  103.363   45.147  114.811   33.244   87.402   20.956   93.830   14.668 -6.427261 25.57983 
1 1 1   18   15   30 o  254.414   10.871  819.050   69.065  786.478  104.756  844.095   91.857  246.354   17.135  256.622   14.392 -10.26738 22.37701 
1 1 1   18   15   31 o  252.759   13.076  817.239   82.249  912.992  179.105  791.650   92.590  256.314   28.463  247.810   15.033 8.503830 32.18914 
1 1 1   18   15   32 o  164.496   16.712  354.583   67.697  277.210  140.491  377.981   77.258  132.183   39.513  168.952   18.621 -36.76889 43.68100 
1 1 1   18   15   33 o  117.008   17.202  182.203   48.763  335.712  137.574  160.145   52.149  145.755   37.562  108.422   19.998 37.33367 42.55363 
1 1 1   18   15   34 o   80.955   19.168   90.198   38.150  213.135  138.185   80.055   39.692  114.541   39.649   76.016   20.459 38.52555 44.61646 
1 1 1   18   15   35 o   66.004   13.996   58.341   22.353   79.689   31.141   35.650   32.105   76.564   16.753   54.142   19.088 22.42213 25.39716 
1 1 1   18   15   36 o   57.888   13.901   45.122   19.842   33.589   25.787   61.859   31.066   51.335   17.140   67.029   18.124 -15.69376 24.94563 
1 1 1   18   15   37 o   51.548   14.478   35.740   19.406   49.319   24.399   12.363   32.014   60.096   15.981   44.290   18.148 15.80556 24.18173 
1 1 1   18   15   38 o  122.550   18.044  205.654   53.568   0.0000   0.0000  205.654   53.568  ?   ?   122.550   18.044 0.000000 18.04436 
1 1 1   18   16    0 o  172.622   11.611  376.631   49.760  339.100   56.531  505.750  104.856  163.291   13.999  197.516   21.611 -34.22484 25.74930 
1 1 1   18   16    1 o  361.138   14.634  1648.40  131.974  1636.35  159.060  1675.02  236.432  358.791   17.753  358.200   26.622 0.5912170 31.99861 
1 1 1   18   16    2 o  395.246   16.012  1978.77  158.034  1974.80  191.402  1987.27  280.121  393.504   19.478  388.861   29.057 4.643738 34.98153 
1 1 1   18   16    3 o  116.949   13.244  174.576   37.996  171.960   42.638  184.667   83.740  115.678   15.122  116.713   28.887 -1.034706 32.60609 
1 1 1   18   16    4 o  260.901   12.452  857.152   81.125  831.559   96.383  919.342  150.244  256.029   15.142  266.682   22.779 -10.65323 27.35302 
1 1 1   18   16    5 o  265.864   13.520  893.554   89.467  926.235  107.308  819.039  162.032  270.041   15.984  250.226   26.326 19.81480 30.79837 
1 1 1   18   16    6 o  432.551   20.365  2388.32  219.975  2159.38  304.509  2638.18  318.122  404.984   30.330  449.148   28.511 -44.16385 41.62689 
1 1 1   18   16    7 o  206.500   12.432  538.722   63.810  551.572   75.270  505.891  120.307  208.513   14.547  196.588   25.078 11.92479 28.99155 
1 1 1   18   16    8 f  156.241   12.033  308.918   46.585  280.409   53.481  398.576   94.843  148.324   14.630  175.111   22.187 -26.78735 26.57595 
1 1 1   18   16    9 o  228.112   12.554  657.055   71.240  630.115   84.491  723.310  132.503  222.771   15.280  236.484   22.717 -13.71324 27.37794 
1 1 1   18   16   10 o  106.592   10.718  144.132   28.141  156.932   40.538  132.227   39.097  110.465   15.090  101.035   16.031 9.430176 22.01637 
1 1 1   18   16   11 o  177.312   9.6623  395.631   42.622  421.900   60.586  369.894   59.970  182.487   13.389  170.646   14.202 11.84102 19.51802 
1 1 1   18   16   12 o  164.512   10.410  341.179   42.547  319.805   60.476  362.125   59.869  158.319   15.495  168.805   14.338 -10.48586 21.11138 
1 1 1   18   16   13 o  458.567   14.944  2656.33  171.124  2743.93  242.371  2569.25  241.641  463.490   20.941  448.177   21.591 15.31293 30.07783 
1 1 1   18   16   14 o  178.177   10.797  400.249   47.815  449.742   62.016  327.700   75.084  188.469   13.261  159.376   19.256 29.09323 23.38078 
1 1 1   18   16   15 o  266.171   15.534  898.725  102.804  933.099  154.166  871.200  137.955  268.686   23.205  260.216   21.420 8.469574 31.57997 
1 1 1   18   16   16 o   96.835   15.765  121.549   36.811   78.596   74.462  135.442   42.347   82.151   29.058  102.017   17.237 -19.86626 33.78574 
1 1 1   18   16   17 o   67.695   13.145   59.679   21.421   75.085   34.009   49.548   27.579   75.405   18.256   61.633   17.242 13.77282 25.11146 
1 1 1   18   16   18 o  276.346   16.736  971.204  114.948   0.0000   0.0000  971.204  114.948  ?   ?   276.346   16.736 0.000000 16.73590 
1 1 1   18   16   19 o   89.332   12.810  102.519   27.758  111.837   39.400   93.337   39.113   92.373   17.725   84.016   19.078 8.357338 26.04126 
1 1 1   18   16   20 o  281.036   11.002  992.758   77.210  1016.77  110.629  969.959  107.809  283.019   15.715  276.418   15.683 6.600861 22.20181 
1 1 1   18   16   21 o  342.184   12.076  1474.01  103.186  1573.48  147.806  1379.44  144.119  352.198   16.806  329.074   17.602 23.12411 24.33612 
1 1 1   18   16   22 o   95.327   11.783  116.070   27.452  123.163   43.275  111.293   35.513   96.812   18.576   92.472   15.955 4.340675 24.48739 
1 1 1   18   16   23 o  146.442   10.842  271.106   39.365  285.212   59.297  259.991   52.638  149.132   16.182  142.581   15.009 6.551132 22.07121 
1 1 1   18   16   24 o  335.989   12.145  1422.72  101.896  1521.87  147.347  1331.85  141.063  345.942   17.056  323.005   17.554 22.93628 24.47611 
1 1 1   18   16   25 o  207.849   11.087  545.415   57.340  483.452   85.176  596.768   77.543  193.939   17.786  216.639   14.416 -22.69928 22.89420 
1 1 1   18   16   26 o  217.295   10.820  594.646   58.714  573.739   87.808  611.554   78.964  211.557   16.758  219.157   14.511 -7.599716 22.16739 
1 1 1   18   16   27 o  258.501   10.993  842.597   70.961  852.862  105.623  834.152   95.801  258.013   16.479  255.686   15.071 2.326874 22.33160 
1 1 1   18   16   28 o  191.457   10.333  463.440   49.221  485.571   76.242  447.625   64.453  194.392   15.844  187.217   13.885 7.175797 21.06721 
1 1 1   18   16   29 o  129.707   10.484  213.752   33.668  187.603   54.648  229.750   42.744  119.088   19.016  133.919   12.943 -14.83156 23.00255 
1 1 1   18   16   30 o  164.043   10.169  341.228   41.450  355.608   66.451  332.069   53.032  165.546   16.285  160.940   13.315 4.605621 21.03568 
1 1 1   18   16   31 f   90.879   11.927  106.695   26.414   88.108   44.485  116.817   32.827   80.218   21.688   94.495   14.364 -14.27690 26.01284 
1 1 1   18   16   32 o  228.511   10.861  663.056   61.977  658.663   94.710  666.346   81.961  224.478   17.022  227.168   14.524 -2.689713 22.37652 
1 1 1   18   16   33 o   84.908   12.082   93.803   24.894   87.310   39.115   98.223   32.275   79.689   19.755   85.849   15.631 -6.160202 25.19052 
1 1 1   18   16   34 o   71.204   13.266   67.146   22.721  107.043   34.267   35.844   30.352   89.476   15.920   53.880   18.586 35.59631 24.47207 
1 1 1   18   16   35 o   53.868   14.456   38.929   19.852   48.967   27.899   28.633   28.255   60.196   17.508   49.670   17.864 10.52629 25.01321 
1 1 1   18   16   36 o   84.785   19.601  100.013   40.669  244.240  153.734   89.160   42.172  117.881   41.747   79.622   20.933 38.25920 46.70081 
1 1 1   18   16   37 o   54.945   19.215   37.857   32.495 -59.0315  159.009   42.080   33.196   73.073   34.308   57.056   19.445 16.01711 39.43504 
1 1 1   18   16   38 o   45.439   17.904   18.484   29.880   0.0000   0.0000   18.484   29.880  ?   ?    45.439   17.904 0.000000 17.90351 
1 1 1   18   17    0 o  181.410   12.353  416.592   55.629  408.833   63.818  441.136  113.508  179.271   14.377  182.809   25.564 -3.537537 29.32909 
1 1 1   18   17    1 o  255.796   12.043  824.087   76.925  766.690   90.300  975.948  146.880  245.766   14.782  274.995   21.562 -29.22862 26.14230 
1 1 1   18   17    2 o  224.288   11.724  634.891   65.437  555.512   75.908  864.549  129.114  209.120   14.628  259.342   20.093 -50.22234 24.85410 
1 1 1   18   17    3 o  255.853   12.590  824.885   80.439  813.003   95.319  854.282  149.928  253.051   15.154  256.435   23.680 -3.383392 28.11398 
1 1 1   18   17    4 o  213.616   11.758  575.978   62.479  553.631   72.782  638.572  121.810  208.938   14.031  221.993   22.273 -13.05424 26.32432 
1 1 1   18   17    5 o  223.873   12.837  633.647   71.464  613.942   84.273  684.094  134.837  219.739   15.456  229.264   23.903 -9.525192 28.46511 
1 1 1   18   17    6 o  158.340   14.660  319.421   57.309  313.174   70.301  331.796   98.949  155.876   18.416  158.221   25.943 -2.344376 31.81502 
1 1 1   18   17    7 o  235.558   15.506  704.985   90.702  713.038  119.464  694.026  139.368  235.396   20.528  230.753   24.564 4.643127 32.01225 
1 1 1   18   17    8 o  396.808   16.089  1994.08  159.426  1978.82  193.230  2026.60  282.142  393.928   19.643  392.970   28.955 0.9582520 34.98932 
1 1 1   18   17    9 o  187.590   11.714  444.370   54.601  422.012   63.384  508.690  107.507  182.342   14.028  198.079   22.112 -15.73688 26.18607 
1 1 1   18   17   10 o  245.745   11.860  759.819   72.779  701.232   85.953  908.217  136.796  235.157   14.711  265.839   20.771 -30.68253 25.45319 
1 1 1   18   17   11 o  248.858   12.055  779.363   74.915  740.150   88.717  876.804  139.851  241.608   14.775  260.863   21.665 -19.25566 26.22339 
1 1 1   18   17   12 o  129.261   12.966  212.566   41.289  218.406   47.034  192.945   86.207  130.710   14.663  119.319   29.176 11.39068 32.65277 
1 1 1   18   17   13 o  148.845   10.010  279.355   36.991  266.811   52.522  291.703   52.108  144.611   14.751  151.436   13.936 -6.825531 20.29249 
1 1 1   18   17   14 o  266.584   11.221  893.363   74.699  1050.34   94.824  636.601  121.272  288.694   13.153  221.857   22.187 66.83725 25.79282 
1 1 1   18   17   15 o  211.075   15.281  566.125   80.000  470.526  123.650  634.955  104.919  188.768   27.000  222.565   19.061 -33.79691 33.05075 
1 1 1   18   17   16 o  287.092   12.916  1038.43   92.595  1126.66  166.490  998.914  111.416  295.475   22.739  280.478   15.973 14.99713 27.78848 
1 1 1   18   17   17 o  100.848   16.485  132.060   40.080   0.0000   0.0000  132.060   40.080  ?   ?   100.848   16.485 0.000000 16.48480 
1 1 1   18   17   18 o  159.258   13.039  321.720   51.401  338.522   60.321  277.169   98.221  162.990   14.988  143.592   28.398 19.39790 32.11049 
1 1 1   18   17   19 o  146.765   9.7638  271.552   35.580  320.736   52.417  229.529   48.452  158.946   13.329  134.000   14.722 24.94614 19.85975 
1 1 1   18   17   20 o  307.320   12.130  1189.09   93.092  1194.95  132.940  1183.44  130.400  306.252   17.455  304.859   17.199 1.393494 24.50501 
1 1 1   18   17   21 o  229.390   10.309  661.044   59.052  682.531   85.328  641.294   81.807  231.882   14.813  224.778   14.654 7.103653 20.83702 
1 1 1   18   17   22 o  305.396   11.950  1174.41   91.130  1146.11  130.396  1201.42  127.412  299.772   17.495  307.238   16.669 -7.465240 24.16465 
1 1 1   18   17   23 o  138.833   10.296  243.545   35.442  280.982   53.697  214.646   47.178  148.329   14.690  129.418   14.868 18.91109 20.90094 
1 1 1   18   17   24 o  229.385   10.751  661.929   61.585  669.441   90.336  655.407   84.180  229.150   15.885  226.996   14.934 2.154480 21.80226 
1 1 1   18   17   25 o  175.005   10.865  386.998   47.249  350.546   70.807  416.260   63.440  164.952   17.455  180.796   14.165 -15.84399 22.47912 
1 1 1   18   17   26 o  327.543   12.086  1354.37   98.854  1394.48  143.618  1318.26  136.271  329.957   17.493  320.986   17.062 8.971497 24.43568 
1 1 1   18   17   27 o  359.005   12.580  1630.55  112.776  1774.83  164.231  1501.81  155.136  372.193   17.670  341.638   18.250 30.55417 25.40278 
1 1 1   18   17   28 o  128.531   10.434  209.685   33.200  222.129   53.595  201.937   42.292  130.688   16.812  125.371   13.733 5.317078 21.70834 
1 1 1   18   17   29 o  247.182   11.343  773.040   70.017  760.238  104.732  783.385   94.149  242.409   17.417  247.050   15.337 -4.641296 23.20736 
1 1 1   18   17   30 o  196.577   10.061  489.379   49.222  490.257   77.064  488.773   63.972  194.692   15.992  195.478   13.182 -0.7855377 20.72482 
1 1 1   18   17   31 o  354.115   12.930  1599.72  114.336  1571.95  167.931  1623.71  156.106  345.890   19.522  353.057   17.763 -7.167816 26.39361 
1 1 1   18   17   32 o  189.093   10.473  454.865   49.262  427.470   76.730  474.076   64.253  180.471   17.235  191.904   13.494 -11.43263 21.88911 
1 1 1   18   17   33 o   58.919   14.079   46.431   20.431   34.154   33.917   53.422   25.596   54.273   19.567   62.934   16.193 -8.661057 25.39827 
1 1 1   18   17   34 o  110.299   10.838  156.379   29.466  140.062   45.597  168.081   38.612  101.549   18.669  113.372   13.932 -11.82388 23.29417 
1 1 1   18   17   35 o   97.337   11.571  122.797   27.575  136.470   40.409  110.881   37.723  100.869   16.621   90.448   17.332 10.42136 24.01429 
1 1 1   18   17   36 o   89.114   11.821  103.533   25.657   92.539   35.169  116.040   37.513   82.181   17.663   92.597   16.843 -10.41528 24.40649 
1 1 1   18   17   37 o   41.941   17.161   10.796   28.576   0.0000   0.0000   10.796   28.576  ?   ?    41.941   17.161 0.000000 17.16097 
1 1 1   18   17   38 o  103.566   34.734  179.021  105.898   0.0000   0.0000  179.021  105.898  ?   ?   103.566   34.734 0.000000 34.73355 
1 1 1   18   18    0 o   88.638   27.432  103.281   66.932  103.281   66.932   0.0000   0.0000   88.638   27.432  ?   ?  0.000000 27.43237 
1 1 1   18   18    1 o  252.022   12.994  803.527   81.499  781.001   95.771  862.663  155.175  247.755   15.559  257.023   24.472 -9.268143 28.99937 
1 1 1   18   18    2 o  140.774   13.259  252.265   46.062  265.318   52.117  205.682   98.457  144.096   14.689  122.308   31.903 21.78775 35.12201 
1 1 1   18   18    3 o  416.406   15.500  2196.68  161.174  2040.05  194.133  2544.12  289.137  399.632   19.453  441.469   26.347 -41.83679 32.75068 
1 1 1   18   18    4 o  433.993   17.409  2394.55  188.673  2438.19  229.011  2302.37  332.875  436.144   21.027  415.541   32.333 20.60300 38.56914 
1 1 1   18   18    5 o  435.587   16.333  2406.52  177.657  2291.86  214.997  2653.34  315.445  423.270   20.341  449.712   28.232 -26.44205 34.79663 
1 1 1   18   18    6 f  203.207   13.415  523.214   67.691  569.139   80.025  407.709  126.911  211.536   15.251  173.940   30.320 37.59586 33.93998 
1 1 1   18   18    7 o  232.567   16.452  689.186   94.930  819.202  125.657  516.321  144.891  252.460   20.098  196.159   30.576 56.30107 36.58952 
1 1 1   18   18    8 o  270.544   13.279  923.154   89.713  925.571  106.918  917.404  164.910  269.853   15.937  265.202   25.204 4.651337 29.82002 
1 1 1   18   18    9 o  177.021   12.217  396.416   53.673  365.577   61.617  493.422  109.282  169.456   14.707  194.684   22.917 -25.22751 27.23051 
1 1 1   18   18   10 o  210.226   12.709  558.831   66.406  555.283   78.024  568.155  126.483  209.031   15.048  208.416   24.789 0.6149902 28.99869 
1 1 1   18   18   11 o  174.947   13.196  388.015   57.228  435.892   67.133  260.725  109.464  185.175   14.637  137.952   32.338 47.22238 35.49648 
1 1 1   18   18   12 f  129.122   12.407  211.847   39.514  191.411   44.196  293.250   88.210  122.214   14.782  148.994   24.564 -26.78046 28.66900 
1 1 1   18   18   13 o  171.611   12.590  372.901   53.579  371.120   62.014  378.145  106.407  170.771   14.685  169.123   26.030 1.647903 29.88628 
1 1 1   18   18   14 o  518.946   24.128  3471.73  312.681  3471.73  312.681   0.0000   0.0000  518.946   24.128  ?   ?  0.000000 24.12840 
1 1 1   18   18   15 o  366.621   18.168  1709.17  166.335  1860.56  242.872  1575.44  228.273  378.234   25.869  347.573   26.500 30.66107 37.03298 
1 1 1   18   18   16 o  404.506   15.401  2070.16  155.569  2483.15  275.872  1877.59  188.379  437.487   25.361  383.141   19.756 54.34598 32.14760 
1 1 1   18   18   17 o  102.316   11.293  133.214   28.372  127.230   42.370  138.079   38.202   98.616   17.863  103.421   15.249 -4.804741 23.48667 
1 1 1   18   18   18 o  289.842   10.706  1055.76   77.492  1116.95  110.440  996.423  108.758  296.852   14.946  280.144   15.608 16.70728 21.61043 
1 1 1   18   18   19 o  209.826   10.900  554.937   56.915  563.994   81.593  546.352   79.430  210.501   15.634  207.209   15.462 3.292542 21.98822 
1 1 1   18   18   20 o  117.064   10.646  173.632   30.783  160.117   45.947  184.639   41.464  111.070   17.115  120.117   14.091 -9.046997 22.16966 
1 1 1   18   18   21 o  188.305   9.8399  446.488   46.110  495.707   67.458  403.325   63.172  197.678   13.751  178.087   14.326 19.59059 19.85773 
1 1 1   18   18   22 o  475.871   15.945  2871.63  189.478  2900.77  269.052  2842.95  266.886  474.545   22.704  469.762   22.751 4.782928 32.14167 
1 1 1   18   18   23 o  187.504   9.8583  442.905   45.998  475.823   67.986  415.117   62.465  193.477   14.170  180.697   13.951 12.78050 19.88527 
1 1 1   18   18   24 o  190.232   10.483  456.544   49.606  462.008   73.062  451.872   67.568  190.220   15.516  188.380   14.474 1.840179 21.21908 
1 1 1   18   18   25 o  202.684   11.109  519.005   56.011  486.153   82.249  547.416   76.487  194.578   17.101  207.229   14.880 -12.65089 22.66796 
1 1 1   18   18   26 o  156.585   10.315  309.998   40.110  322.401   61.196  300.656   53.107  158.443   15.672  153.389   14.020 5.054153 21.02799 
1 1 1   18   18   27 o  185.770   10.230  436.071   47.274  459.185   72.206  418.729   62.543  189.251   15.413  181.107   13.936 8.143906 20.77884 
1 1 1   18   18   28 o  348.830   12.480  1541.94  108.715  1607.35  158.269  1483.50  149.590  352.941   18.017  339.219   17.721 13.72256 25.27152 
1 1 1   18   18   29 o  198.128   10.523  497.241   51.875  533.216   79.844  470.962   68.241  203.393   15.845  191.624   14.365 11.76907 21.38767 
1 1 1   18   18   30 o  212.776   10.309  572.394   54.777  614.068   84.623  542.338   71.865  218.121   15.640  205.565   14.085 12.55563 21.04713 
1 1 1   18   18   31 o  145.091   10.143  267.666   36.518  259.212   59.899  272.668   46.071  140.334   17.471  145.685   12.793 -5.350586 21.65408 
1 1 1   18   18   32 o  152.282   10.213  295.238   38.613  252.533   62.370  321.778   49.169  137.704   18.614  158.253   12.545 -20.54871 22.44691 
1 1 1   18   18   33 o  104.662   10.763  140.703   27.730  105.296   45.355  161.839   35.042   87.150   21.072  111.716   12.791 -24.56637 24.65071 
1 1 1   18   18   34 o  198.143   10.474  500.896   51.641  462.432   80.276  528.051   67.450  186.895   17.400  202.083   13.443 -15.18839 21.98812 
1 1 1   18   18   35 o  158.361   10.292  320.566   40.479  301.354   62.402  334.522   53.187  150.619   16.881  160.520   13.391 -9.900330 21.54739 
1 1 1   18   18   36 o   89.676   11.649  104.707   25.471   99.740   36.517  109.414   35.546   85.364   17.711   90.011   16.419 -4.646835 24.15102 
1 1 1   18   18   37 o  118.874   15.938  188.899   46.121   0.0000   0.0000  188.899   46.121  ?   ?   118.874   15.938 0.000000 15.93811 
1 1 1   18   19    0 o  227.418   12.001  653.828   67.913  590.152   77.824  857.150  139.064  215.392   14.554  257.030   21.874 -41.63808 26.27356 
1 1 1   18   19    1 o  214.117   22.800  598.107  120.033  598.107  120.033   0.0000   0.0000  214.117   22.800  ?   ?  0.000000 22.79974 
1 1 1   18   19    2 o  194.714   12.607  480.222   60.972  476.062   70.228  492.958  122.877  193.384   14.651  192.917   26.183 0.4661713 30.00338 
1 1 1   18   19    3 o  346.505   14.922  1520.52  129.118  1495.90  154.675  1577.11  234.508  342.079   18.172  346.283   27.342 -4.204041 32.82965 
1 1 1   18   19    4 o   80.459   16.488   85.104   32.014   90.899   34.710   52.084   82.851   83.062   17.296   76.678   29.931 6.384048 34.56924 
1 1 1   18   19    5 o  293.662   12.978  1088.02   95.168  1006.91  112.858  1287.64  177.052  281.273   16.135  315.422   22.628 -34.14929 27.79188 
1 1 1   18   19    6 o  247.993   13.828  779.217   85.293  844.953  101.429  620.495  157.607  257.702   15.838  215.285   30.143 42.41638 34.05061 
1 1 1   18   19    7 o  202.540   14.589  521.380   73.293  468.206   92.096  613.236  121.044  190.495   19.642  217.204   22.650 -26.70886 29.97997 
1 1 1   18   19    8 o  213.152   15.649  578.554   82.716  632.274  107.257  499.715  129.934  221.697   19.575  194.016   27.596 27.68100 33.83393 
1 1 1   18   19    9 o  235.638   13.218  702.609   77.467  741.917   91.678  604.469  144.859  241.633   15.272  213.639   27.812 27.99367 31.72932 
1 1 1   18   19   10 o  217.654   12.870  599.294   69.640  601.885   81.788  592.463  132.799  217.585   15.147  212.443   25.545 5.142166 29.69765 
1 1 1   18   19   11 o  169.011   12.941  362.194   54.202  394.828   62.658  265.167  108.041  176.200   14.365  139.150   31.789 37.05067 34.88392 
1 1 1   18   19   12 o  189.733   12.722  455.689   59.929  465.717   69.636  427.054  117.673  191.391   14.682  179.394   27.113 11.99675 30.83322 
1 1 1   18   19   13 o  272.012   13.830  936.414   93.633  975.687  111.862  844.496  171.134  276.974   16.244  253.285   27.499 23.68916 31.93812 
1 1 1   18   19   14 o  367.877   15.753  1714.06  144.716  1802.02  175.140  1524.77  256.931  376.130   18.646  339.180   30.666 36.95074 35.89008 
1 1 1   18   19   15 o   90.564   28.771  106.485   73.140  106.485   73.140   0.0000   0.0000   90.564   28.771  ?   ?  0.000000 28.77127 
1 1 1   18   19   16 o  321.510   27.139  1354.12  215.854   0.0000   0.0000  1354.12  215.854  ?   ?   321.510   27.139 0.000000 27.13894 
1 1 1   18   19   17 o   77.945   18.564   80.412   35.617   80.412   35.617   0.0000   0.0000   77.945   18.564  ?   ?  0.000000 18.56427 
1 1 1   18   19   18 o  331.185   12.155  1381.44  100.526  1482.70  142.943  1282.35  141.399  341.784   16.748  317.002   17.936 24.78262 24.53939 
1 1 1   18   19   19 o  228.701   11.398  658.130   65.095  681.726   92.965  635.431   91.179  231.322   16.196  223.213   16.474 8.108902 23.10194 
1 1 1   18   19   20 o  206.686   11.437  539.218   58.802  514.745   84.306  562.401   82.055  200.616   16.988  210.095   15.755 -9.479095 23.16911 
1 1 1   18   19   21 o  298.225   11.275  1119.22   83.965  1198.52  120.103  1043.41  117.431  307.099   15.714  286.225   16.499 20.87387 22.78500 
1 1 1   18   19   22 o  383.120   14.400  1856.97  137.768  1874.02  195.752  1840.25  193.929  381.758   20.610  378.296   20.606 3.462219 29.14439 
1 1 1   18   19   23 o  316.113   12.764  1261.24  100.756  1253.01  143.936  1269.14  141.087  312.724   18.514  314.950   18.014 -2.226013 25.83121 
1 1 1   18   19   24 o   57.504   14.985   43.481   21.736   43.544   36.816   43.447   26.930   60.233   20.478   57.991   17.291 2.242672 26.80211 
1 1 1   18   19   25 f  172.634   10.624  376.654   45.579  370.085   67.365  382.199   61.897  169.804   16.078  173.027   14.458 -3.222946 21.62278 
1 1 1   18   19   26 o  130.725   10.914  216.908   35.303  210.867   54.691  221.223   46.222  127.212   17.696  131.268   14.333 -4.056320 22.77233 
1 1 1   18   19   27 o  291.357   11.608  1072.76   84.457  1111.07  122.900  1038.48  116.256  294.151   16.801  284.521   16.433 9.630402 23.50112 
1 1 1   18   19   28 o  252.189   11.102  803.800   69.915  824.428  104.027  786.806   94.420  253.049   16.554  247.715   15.339 5.334900 22.56791 
1 1 1   18   19   29 o  114.429   14.810  169.984   41.328  171.247   55.605  168.426   61.773  113.023   20.454  111.162   23.011 1.860878 30.78786 
1 1 1   18   19   30 o  149.319   13.651  286.906   50.338  310.404   69.845  261.509   72.614  153.492   18.602  139.481   21.542 14.01118 28.46180 
1 1 1   18   19   31 o  167.376   13.462  360.514   55.790  329.458   77.774  393.434   80.073  157.026   20.310  172.503   18.898 -15.47684 27.74190 
1 1 1   18   19   32 o  190.496   13.603  467.827   64.285  415.363   90.052  522.348   91.800  175.716   20.935  198.635   18.728 -22.91890 28.08915 
1 1 1   18   19   33 o  153.880   13.511  306.607   51.394  342.161   70.926  267.298   74.576  160.489   18.008  139.511   22.146 20.97787 28.54380 
1 1 1   18   19   34 o   48.802   16.823   29.007   24.864   16.168   29.951   57.475   44.599   45.013   17.865   66.294   22.539 -21.28075 28.76038 
1 1 1   18   19   35 o  160.461   13.318  334.257   52.883  311.077   68.640  368.110   82.951  152.151   18.442  164.240   20.684 -12.08882 27.71199 
1 1 1   18   19   36 o   67.870   26.147   52.949   62.586   0.0000   0.0000   52.949   62.586  ?   ?    67.870   26.147 0.000000 26.14716 
1 1 1   18   19   37 o   89.271   31.217  120.076   85.762   0.0000   0.0000  120.076   85.762  ?   ?    89.271   31.217 0.000000 31.21682 
1 1 1   18   20    0 o  282.190   12.163  1004.92   85.711  902.113   99.373  1303.61  169.377  266.227   15.009  317.189   21.511 -50.96143 26.22945 
1 1 1   18   20    1 o  185.645   13.263  437.800   61.081  488.053   69.673  270.903  126.973  195.783   14.351  138.447   36.286 57.33693 39.02076 
1 1 1   18   20    2 o  254.364   23.686  845.508  148.721  845.508  148.721   0.0000   0.0000  254.364   23.686  ?   ?  0.000000 23.68569 
1 1 1   18   20    3 o   40.588   16.039   11.789   24.046   2.3600   25.075  119.610   84.793   37.406   15.752   95.558   31.042 -58.15216 34.81039 
1 1 1   18   20    4 o  166.801   13.578  353.890   56.065  410.159   64.384  177.393  114.029  179.434   14.493  114.061   35.889 65.37308 38.70501 
1 1 1   18   20    5 o  154.543   12.483  303.152   47.765  312.407   53.844  268.967  103.482  156.595   13.914  140.176   30.435 16.41939 33.46468 
1 1 1   18   20    6 o  150.672   12.016  287.861   44.836  261.864   49.862  397.652  102.470  143.233   14.124  173.704   24.287 -30.47107 28.09560 
1 1 1   18   20    7 o  106.149   14.269  144.958   36.866  167.930   40.745   41.254   86.570  114.309   14.608   75.180   30.192 39.12946 33.54044 
1 1 1   18   20    8 o  102.330   16.141  135.951   39.878  107.796   44.853  242.160   87.116   90.029   20.420  134.093   26.951 -44.06392 33.81342 
1 1 1   18   20    9 o  444.723   17.717  2517.70  196.757  2518.36  238.730  2516.30  347.428  442.727   21.593  434.096   32.281 8.631317 38.83724 
1 1 1   18   20   10 o  219.156   12.903  607.883   70.301  616.301   82.155  584.865  135.856  220.149   15.034  210.515   26.425 9.634109 30.40269 
1 1 1   18   20   11 o  242.981   12.341  745.901   74.634  684.255   87.083  916.457  144.849  232.010   15.113  266.184   21.988 -34.17407 26.68121 
1 1 1   18   20   12 o  317.547   13.646  1273.31  108.209  1217.10  128.991  1406.83  198.801  309.146   16.772  328.967   24.373 -19.82095 29.58635 
1 1 1   18   20   13 o  132.265   12.978  222.710   42.314  225.923   47.255  209.707   95.056  132.918   14.471  123.739   30.865 9.178726 34.08911 
1 1 1   18   20   14 o  187.109   13.465  444.130   62.492  511.605   72.719  253.575  122.205  200.616   14.616  134.946   35.709 65.67065 38.58448 
1 1 1   18   20   16 o  177.603   24.471  414.850  105.647  414.850  105.647   0.0000   0.0000  177.603   24.471  ?   ?  0.000000 24.47053 
1 1 1   18   20   17 o  293.469   13.820  1087.88  101.281  1148.98  121.647  949.827  182.849  300.513   16.271  268.385   27.680 32.12811 32.10778 
1 1 1   18   20   18 o  261.199   13.728  864.019   89.227  923.496  106.891  727.321  162.048  269.408   15.959  234.224   28.277 35.18382 32.47024 
1 1 1   18   20   19 o  176.066   12.811  393.003   55.939  449.118   65.634  244.025  106.943  187.994   14.083  133.016   32.478 54.97771 35.39983 
1 1 1   18   20   20 o  205.044   13.161  532.797   67.033  595.142   79.657  381.517  124.084  216.336   14.835  167.640   30.775 48.69612 34.16348 
1 1 1   18   20   21 o  328.343   13.269  1361.44  108.795  1448.22  155.048  1277.28  152.699  336.373   18.530  315.428   19.481 20.94431 26.88626 
1 1 1   18   20   22 o  323.947   12.473  1323.95  100.899  1318.25  143.763  1329.48  141.645  320.989   18.008  322.508   17.655 -1.518921 25.21861 
1 1 1   18   20   23 o  467.846   15.660  2779.84  182.961  2892.15  260.034  2669.74  257.477  473.329   22.000  454.286   22.696 19.04227 31.60877 
1 1 1   18   20   24 o  181.105   11.419  415.069   51.378  364.277   74.888  460.235   70.618  167.864   18.154  189.848   15.018 -21.98331 23.56106 
1 1 1   18   20   25 o  261.970   11.362  865.670   74.326  896.955  107.577  837.097  102.810  264.756   16.351  255.804   16.178 8.952652 23.00194 
1 1 1   18   20   26 o  228.492   15.312  667.854   86.862  660.399  116.140  677.319  130.855  224.912   20.918  226.545   23.471 -1.633392 31.43975 
1 1 1   18   20   27 o  254.589   15.831  831.371  100.147  859.174  137.100  799.565  146.639  255.922   21.656  245.342   24.252 10.58035 32.51366 
1 1 1   18   20   28 o   77.858   18.772   81.444   36.072   68.763   44.726  105.039   61.011   72.217   22.437   87.728   25.997 -15.51107 34.34032 
1 1 1   18   20   29 o  141.553   14.317  258.456   49.912  294.607   67.307  214.286   74.397  149.752   18.385  124.880   24.732 24.87135 30.81634 
1 1 1   18   20   30 o  194.314   10.183  478.884   49.240  498.380   76.107  464.848   64.576  196.196   15.665  190.251   13.684 5.945328 20.79967 
1 1 1   18   20   31 o  218.534   10.627  605.742   57.991  582.241   88.551  623.389   76.736  211.138   16.937  220.011   14.040 -8.872894 22.00003 
1 1 1   18   20   32 o  147.035   9.6503  274.935   35.237  294.565   57.693  263.256   44.501  150.079   15.623  142.952   12.595 7.126495 20.06753 
1 1 1   18   20   33 o  245.933   10.644  769.540   65.367  795.149  100.236  750.590   86.223  246.399   16.384  240.639   14.415 5.760040 21.82254 
1 1 1   18   20   34 o   46.415   13.877   28.235   17.327   33.978   30.132   25.398   21.178   52.860   18.503   45.584   15.532 7.275684 24.15733 
1 1 1   18   20   35 o  147.479   9.9854  277.941   36.558  238.401   57.330  305.037   47.458  133.314   17.655  153.566   12.484 -20.25230 21.62304 
1 1 1   18   20   36 o  137.267   13.966  246.865   47.207   0.0000   0.0000  246.865   47.207  ?   ?   137.267   13.966 0.000000 13.96619 
1 1 1   18   21    0 o  285.793   13.318  1033.95   95.049  992.983  110.999  1146.56  184.037  278.798   16.010  294.869   25.237 -16.07095 29.88675 
1 1 1   18   21    1 o  390.331   14.617  1933.20  142.479  1801.84  169.284  2252.29  263.847  375.260   18.065  413.823   25.659 -38.56244 31.37995 
1 1 1   18   21    2 o  382.248   15.569  1857.10  148.616  1818.98  176.053  1951.62  277.215  376.833   18.709  382.525   29.242 -5.692078 34.71486 
1 1 1   18   21    3 o  204.483   23.036  548.074  115.582  548.074  115.582   0.0000   0.0000  204.483   23.036  ?   ?  0.000000 23.03642 
1 1 1   18   21    4 o  135.257   13.711  233.738   45.669  245.353   50.625  182.973  105.836  138.336   14.889  115.058   34.273 23.27810 37.36734 
1 1 1   18   21    5 o   99.428   14.785  127.910   35.593  134.962   38.456   85.763   94.007  101.998   15.593   87.527   32.410 14.47095 35.96619 
1 1 1   18   21    6 o  239.568   12.544  726.232   74.783  666.077   86.763  900.063  147.490  228.661   15.283  263.030   22.676 -34.36876 27.34541 
1 1 1   18   21    7 o  175.417   12.340  390.002   53.710  353.801   60.436  526.014  117.146  166.509   14.685  200.183   23.907 -33.67397 28.05721 
1 1 1   18   21    8 o  229.597   12.557  667.008   71.722  650.067   83.459  714.857  140.262  226.053   14.868  233.579   24.407 -7.526566 28.57887 
1 1 1   18   21    9 o  214.875   15.365  588.267   81.903  582.825  104.125  597.099  132.640  212.464   19.856  212.883   25.456 -0.4187317 32.28368 
1 1 1   18   21   10 o  164.672   13.646  344.936   55.608  388.560   63.982  210.227  112.433  174.565   14.817  123.073   34.949 51.49191 37.96069 
1 1 1   18   21   11 o  207.175   13.234  544.093   68.111  581.471   79.236  438.313  133.296  213.768   14.937  179.862   30.784 33.90616 34.21689 
1 1 1   18   21   12 o  380.550   15.883  1837.43  150.934  1872.73  181.818  1759.16  270.704  382.871   19.017  363.943   30.055 18.92841 35.56585 
1 1 1   18   21   13 o  232.538   11.581  680.941   67.252  621.623   77.458  862.601  135.550  221.299   14.090  258.374   21.195 -37.07410 25.45123 
1 1 1   18   21   14 o  365.766   14.879  1693.95  135.906  1636.61  163.041  1824.50  246.021  357.811   18.308  373.154   26.575 -15.34323 32.27144 
1 1 1   18   21   15 o  178.795   14.817  407.367   65.559  407.367   65.559   0.0000   0.0000  178.795   14.817  ?   ?  0.000000 14.81689 
1 1 1   18   21   16 o   75.414   28.049   60.037   70.565   60.037   70.565   0.0000   0.0000   75.414   28.049  ?   ?  0.000000 28.04911 
1 1 1   18   21   17 o  321.846   14.392  1310.51  115.668  1335.96  138.370  1251.46  210.749  323.629   17.183  308.059   27.692 15.57037 32.58960 
1 1 1   18   21   18 o   70.809   17.865   66.337   31.588   78.214   34.226  -1.9340   82.055   76.837   18.130   64.573   27.877 12.26421 33.25367 
1 1 1   18   21   19 o  184.878   11.813  432.358   54.254  392.198   62.224  559.698  110.802  175.500   14.323  207.532   21.701 -32.03198 26.00166 
1 1 1   18   21   20 o  147.627   13.474  277.600   49.125  287.836   56.383  245.341  100.094  149.932   15.272  133.643   30.646 16.28896 34.24042 
1 1 1   18   21   21 o  299.496   14.553  1136.19  108.841  1285.30  131.635  813.919  193.517  317.429   16.665  245.006   32.426 72.42296 36.45766 
1 1 1   18   21   22 f  222.453   13.004  627.331   71.926  667.925   85.422  528.442  133.326  228.995   15.021  198.853   27.593 30.14258 31.41663 
1 1 1   18   21   23 o   87.570   17.332  101.119   36.560  120.703   40.699   19.271   83.202   95.796   17.664   68.955   28.846 26.84032 33.82447 
1 1 1   18   21   24 o  358.802   12.559  1627.38  112.528  1832.21  161.124  1432.33  157.225  378.768   17.035  333.520   18.956 45.24823 25.48548 
1 1 1   18   21   25 o   70.376   20.079   65.615   37.022   57.724   42.297   91.465   76.554   67.447   21.925   85.318   29.513 -17.87162 36.76569 
1 1 1   18   21   26 o  444.010   21.896  2569.85  242.777  2528.47  338.663  2613.61  348.214  429.664   31.789  436.394   32.180 -6.729462 45.23431 
1 1 1   18   21   27 o   62.789   19.823   50.820   34.761   32.574   40.933   98.014   65.831   56.711   21.310   85.601   27.307 -28.89023 34.63748 
1 1 1   18   21   28 o   83.271   12.360   89.833   24.922   83.470   41.652   93.381   31.104   78.513   20.882   84.179   15.363 -5.666161 25.92414 
1 1 1   18   21   29 o  194.341   10.025  478.495   48.485  537.877   73.990  433.805   64.187  204.474   14.586  183.711   14.099 20.76355 20.28627 
1 1 1   18   21   30 o  103.566   10.509  137.214   26.802  209.530   44.882   97.133   33.413  127.063   14.399   85.425   16.257 41.63736 21.71708 
1 1 1   18   21   31 o  206.733   10.482  543.520   53.934  497.098   82.307  578.453   71.400  194.762   17.096  212.013   13.557 -17.25102 21.81907 
1 1 1   18   21   32 o   73.364   11.652   70.231   20.633   89.020   37.770   62.238   24.634   80.630   19.059   68.169   14.888 12.46069 24.18500 
1 1 1   18   21   33 o  174.219   10.459  387.434   45.293  381.816   71.666  391.169   58.444  169.895   17.126  173.778   13.575 -3.883362 21.85372 
1 1 1   18   21   34 o  159.385   10.311  324.666   40.819  274.284   64.705  357.970   52.607  142.775   18.589  166.399   12.757 -23.62404 22.54567 
1 1 1   18   21   35 o   61.552   16.492   51.546   25.860   0.0000   0.0000   51.546   25.860  ?   ?    61.552   16.492 0.000000 16.49150 
1 1 1   18   21   36 o  103.346   27.383  159.714   71.801   0.0000   0.0000  159.714   71.801  ?   ?   103.346   27.383 0.000000 27.38322 
1 1 1   18   22    0 o  374.883   16.090  1793.26  150.630  1773.51  179.443  1840.38  277.162  370.517   19.462  368.819   30.363 1.698364 36.06514 
1 1 1   18   22    1 o  162.911   12.753  337.768   51.466  351.448   56.993  277.329  119.797  165.911   13.884  139.791   34.522 26.11937 37.20955 
1 1 1   18   22    2 f  318.867   14.198  1289.98  113.055  1304.85  133.543  1252.36  212.409  319.274   16.809  306.148   28.097 13.12589 32.74135 
1 1 1   18   22    3 o  110.103   16.042  157.413   42.812  157.413   42.812   0.0000   0.0000  110.103   16.042  ?   ?  0.000000 16.04247 
1 1 1   18   22    4 o  230.199   17.902  681.555  102.103  729.463  132.495  611.507  160.212  236.138   22.750  211.832   31.223 24.30640 38.63244 
1 1 1   18   22    5 o  139.542   12.837  248.107   44.230  254.688   48.473  215.369  108.109  141.148   13.934  123.973   33.932 17.17487 36.68145 
1 1 1   18   22    6 o  285.723   13.052  1032.02   93.124  1026.67  109.446  1046.07  177.252  283.866   15.498  281.860   25.458 2.006714 29.80419 
1 1 1   18   22    7 o  156.035   13.197  309.905   50.941  347.669   57.242  166.134  111.688  165.138   14.013  110.598   35.598 54.53979 38.25693 
1 1 1   18   22    8 f  113.135   13.805  164.265   38.192  161.353   41.436  180.710   98.469  111.785   15.241  114.368   32.785 -2.583038 36.15452 
1 1 1   18   22    9 o  124.455   13.626  198.141   41.656  185.967   45.745  257.247  100.801  120.066   15.627  136.835   30.299 -16.76846 34.09185 
1 1 1   18   22   10 o   51.046   18.120   29.046   28.978   27.088   30.781   44.312   85.936   50.855   18.593   75.501   30.166 -24.64576 35.43561 
1 1 1   18   22   11 o  209.668   12.536  556.706   65.336  552.434   75.155  569.928  132.206  208.358   14.535  207.476   26.094 0.8817291 29.86954 
1 1 1   18   22   12 o  279.573   13.125  987.332   91.629  957.032  107.797  1066.23  173.953  274.103   15.816  285.466   24.644 -11.36362 29.28216 
1 1 1   18   22   13 o  348.768   13.398  1537.19  116.684  1418.55  138.222  1831.43  217.669  333.978   16.573  375.501   23.329 -41.52225 28.61633 
1 1 1   18   22   14 f  436.664   33.049  2566.94  357.705   0.0000   0.0000  2566.94  357.705  ?   ?   436.664   33.049 0.000000 33.04886 
1 1 1   18   22   15 o  150.677   14.841  290.318   55.116  290.318   55.116   0.0000   0.0000  150.677   14.841  ?   ?  0.000000 14.84069 
1 1 1   18   22   16 o  217.889   23.648  621.372  126.605  621.372  126.605   0.0000   0.0000  217.889   23.648  ?   ?  0.000000 23.64798 
1 1 1   18   22   17 o   62.251   24.349   32.287   54.916   32.907   69.369   31.247   89.883   67.548   27.062   73.866   30.354 -6.317619 40.66597 
1 1 1   18   22   18 o  139.732   13.232  248.819   45.620  236.713   50.720  300.099  104.388  135.813   15.216  148.559   29.180 -12.74580 32.90874 
1 1 1   18   22   19 o  192.049   13.082  468.053   62.366  513.916   72.494  337.447  122.335  200.908   14.548  156.368   32.395 44.53987 35.51143 
1 1 1   18   22   20 f  365.862   14.625  1696.62  133.617  1674.34  160.857  1746.20  239.981  362.159   17.786  364.148   26.574 -1.988861 31.97706 
1 1 1   18   22   21 o  273.142   13.942  947.091   94.779  1078.51  113.842  650.234  171.098  290.884   15.731  218.197   32.384 72.68687 36.00231 
1 1 1   18   22   22 o  123.014   14.231  194.272   42.908  188.655   48.196  215.742   94.225  120.654   16.423  124.794   30.495 -4.140274 34.63574 
1 1 1   18   22   23 f  191.445   12.814  465.597   60.906  512.358   71.388  340.503  116.762  200.442   14.357  157.049   30.873 43.39304 34.04808 
1 1 1   18   22   24 o  330.040   14.938  1385.73  123.114  1505.18  150.101  1140.19  215.207  342.317   17.619  290.035   30.154 52.28207 34.92446 
1 1 1   18   22   25 o  187.688   15.648  452.526   72.671  517.784   93.633  353.668  115.244  199.566   19.019  159.837   29.974 39.72932 35.49861 
1 1 1   18   22   26 o  173.822   15.394  388.828   66.128  414.707   84.162  347.075  106.903  178.118   19.226  158.887   27.964 19.23080 33.93619 
1 1 1   18   22   27 o  384.052   16.044  1892.24  153.866  1968.03  188.119  1739.06  267.440  389.306   19.350  355.112   30.453 34.19504 36.08095 
1 1 1   18   22   28 o  250.398   10.750  793.398   67.221  875.665   98.792  722.471   91.731  260.914   15.229  236.742   15.604 24.17220 21.80348 
1 1 1   18   22   29 o   81.801   11.402   86.477   22.657  136.678   39.554   61.960   27.642  101.842   16.087   67.971   16.460 33.87127 23.01599 
1 1 1   18   22   30 o   88.783   11.369  101.734   24.627  127.826   42.041   88.104   30.387   97.667   17.897   81.404   15.515 16.26301 23.68583 
1 1 1   18   22   31 o  189.548   9.6516  456.130   45.534  490.491   71.446  432.628   59.088  194.444   14.826  183.363   12.988 11.08090 19.71045 
1 1 1   18   22   32 f  183.439   10.018  428.363   45.716  436.640   71.493  422.638   59.461  182.638   15.832  180.916   13.254 1.721634 20.64745 
1 1 1   18   22   33 o  169.419   9.8402  365.740   41.452  367.225   65.761  364.760   53.395  167.085   15.955  168.025   12.822 -0.9398651 20.46874 
1 1 1   18   22   34 o   77.719   12.206   79.245   22.908   58.387   39.680   89.672   28.056   65.816   21.222   82.149   14.190 -16.33377 25.52869 
1 1 1   18   22   35 o   96.416   13.638  122.481   31.920   0.0000   0.0000  122.481   31.920  ?   ?    96.416   13.638 0.000000 13.63809 
1 1 1   18   23    0 o  426.023   17.395  2330.63  185.056  2391.59  221.999  2191.80  335.013  429.081   20.719  396.798   34.142 32.28238 39.93681 
1 1 1   18   23    1 o  187.520   13.310  448.202   61.921  466.859   69.468  376.056  136.605  190.987   14.678  162.477   34.722 28.50975 37.69677 
1 1 1   18   23    2 o   98.393   15.638  126.291   37.138  139.662   39.640   30.304  106.210  103.526   15.837   77.746   32.563 25.77951 36.20971 
1 1 1   18   23    3 o  138.535   12.927  245.031   44.205  233.977   47.786  310.591  116.376  134.988   14.398  148.908   32.231 -13.92014 35.30112 
1 1 1   18   23    4 o  358.775   18.335  1655.62  163.718  1655.62  163.718   0.0000   0.0000  358.775   18.335  ?   ?  0.000000 18.33478 
1 1 1   18   23    5 o  276.978   18.191  987.237  125.123  1056.14  167.559  900.390  188.123  283.534   23.888  258.190   29.720 25.34381 38.13016 
1 1 1   18   23    6 o  241.059   13.664  738.471   81.918  763.481   95.091  666.496  161.315  244.458   15.659  221.812   29.884 22.64566 33.73792 
1 1 1   18   23    7 o  164.887   12.823  345.769   52.385  361.976   58.678  282.141  116.265  168.419   14.081  141.798   33.387 26.62134 36.23479 
1 1 1   18   23    8 o  348.309   14.945  1540.49  129.989  1526.08  154.803  1574.94  239.373  344.931   18.035  344.038   28.108 0.8931885 33.39613 
1 1 1   18   23    9 o  394.815   15.590  1981.71  153.710  1948.00  184.230  2058.94  278.839  389.796   18.927  393.380   28.580 -3.583893 34.27902 
1 1 1   18   23   10 o  109.083   16.687  154.878   44.012  146.030   48.955  192.173  100.503  105.163   19.355  117.541   32.927 -12.37767 38.19381 
1 1 1   18   23   11 o  263.878   15.693  888.011  102.944  779.130  131.850  1058.03  164.757  244.717   21.804  284.617   23.388 -39.90018 31.97526 
1 1 1   18   23   12 o  155.440   13.462  307.830   51.738  333.724   58.107  208.766  113.655  161.627   14.553  122.134   35.284 39.49328 38.16753 
1 1 1   18   23   13 o  188.550   28.755  478.871  131.105   0.0000   0.0000  478.871  131.105  ?   ?   188.550   28.755 0.000000 28.75466 
1 1 1   18   23   14 o  129.024   13.712  212.923   43.503  209.922   47.217  229.777  111.893  127.783   15.088  128.067   34.300 -0.2835846 37.47223 
1 1 1   18   23   15 o  188.840   13.002  452.692   60.938  446.727   69.176  473.359  128.756  187.098   14.930  187.651   28.362 -0.5532837 32.05145 
1 1 1   18   23   16 o   58.253   18.489   42.826   30.211   42.826   30.211   0.0000   0.0000   58.253   18.489  ?   ?  0.000000 18.48948 
1 1 1   18   23   17 o  128.717   27.537  225.492   85.834  225.492   85.834   0.0000   0.0000  128.717   27.537  ?   ?  0.000000 27.53653 
1 1 1   18   23   18 o  222.030   13.343  625.683   73.636  642.004   85.525  578.913  144.776  224.331   15.359  207.575   28.698 16.75635 32.54934 
1 1 1   18   23   19 o   98.708   15.852  126.852   37.751  131.003   40.822  102.344   99.196  100.074   16.940   92.450   33.442 7.623756 37.48737 
1 1 1   18   23   20 o  249.109   13.243  787.307   82.084  818.896   96.600  705.243  155.696  253.393   15.338  229.673   27.706 23.72037 31.66861 
1 1 1   18   23   21 o  250.568   13.978  798.342   87.117  903.033  103.628  546.073  160.863  265.933   15.674  198.407   33.671 67.52597 37.14065 
1 1 1   18   23   22 o  130.269   14.168  217.779   45.345  234.579   50.835  152.349  100.320  134.947   15.359  105.574   33.712 29.37275 37.04608 
1 1 1   18   23   23 o   83.738   17.928   93.216   36.358  126.471   40.144 -58.5320   85.755   98.119   17.000   56.330   26.020 41.78818 31.08148 
1 1 1   18   23   24 o  160.130   15.886  330.571   62.687  372.871   77.361  249.689  106.975  169.208   18.616  132.667   32.537 36.54005 37.48677 
1 1 1   18   23   25 o  137.869   15.977  246.290   53.988  255.838   64.756  224.524   97.774  139.507   19.089  125.855   31.253 13.65229 36.62125 
1 1 1   18   23   26 o  399.412   16.504  2049.60  164.615  2237.67  201.106  1667.75  286.565  415.109   19.400  344.119   33.783 70.98975 38.95734 
1 1 1   18   23   27 o  159.676   13.244  326.853   52.334  364.372   61.574  229.217   99.330  168.116   14.818  126.140   31.600 41.97578 34.90202 
1 1 1   18   23   28 f  125.657   14.267  204.533   43.973  237.532   51.916  120.750   82.722  135.046   15.687   93.311   30.678 41.73467 34.45605 
1 1 1   18   23   29 o  124.351   13.735  200.234   41.940  200.479   49.876  199.642   77.494  123.441   16.601  118.796   26.764 4.644371 31.49499 
1 1 1   18   23   30 o  140.700   12.874  255.213   44.731  266.451   55.322  233.993   76.020  142.687   15.791  129.644   24.376 13.04324 29.04405 
1 1 1   18   23   31 o  117.214   14.020  179.238   40.223  180.252   48.957  177.133   70.556  116.255   17.399  111.335   25.871 4.919922 31.17705 
1 1 1   18   23   32 o  112.754   13.867  166.233   38.222  157.817   47.947  180.906   63.309  108.024   18.436  113.570   23.109 -5.545784 29.56209 
1 1 1   18   23   33 o  155.117   10.318  307.630   39.739  250.367   63.207  345.061   51.102  136.004   19.140  163.397   12.622 -27.39314 22.92740 
1 1 1   18   23   34 o   59.552   16.601   48.110   25.612   0.0000   0.0000   48.110   25.612  ?   ?    59.552   16.601 0.000000 16.60057 
1 1 1   18   24    0 o   54.563   19.404   34.108   33.245   31.944   34.867   55.747  110.269   54.184   19.792   82.733   33.765 -28.54871 39.13815 
1 1 1   18   24    1 o  172.524   12.988  380.038   55.544  394.037   61.092  313.297  133.389  175.358   14.070  146.105   36.629 29.25333 39.23799 
1 1 1   18   24    2 o   92.670   16.149  112.888   36.013  113.461   38.000  107.841  112.868   92.671   17.049   94.717   35.425 -2.046440 39.31440 
1 1 1   18   24    3 o  110.066   14.571  156.781   39.065  152.664   41.612  187.370  113.414  108.242   15.866  114.827   35.738 -6.585175 39.10100 
1 1 1   18   24    4 o  153.245   12.650  299.407   47.977  304.165   52.286  274.061  120.685  154.188   13.723  138.155   34.954 16.03314 37.55148 
1 1 1   18   24    5 o  202.661   23.091  542.729  114.770  542.729  114.770   0.0000   0.0000  202.661   23.091  ?   ?  0.000000 23.09051 
1 1 1   18   24    6 o   61.306   23.917   32.672   52.881   34.765   62.060   27.126  101.032   65.133   25.758   75.733   31.741 -10.59944 40.87764 
1 1 1   18   24    7 o  177.097   12.900  399.083   56.658  410.282   63.336  354.213  126.773  179.207   14.271  158.930   33.021 20.27684 35.97295 
1 1 1   18   24    8 o   91.955   15.948  110.688   35.295  107.341   37.560  135.950  103.181   90.195   17.306  101.292   34.283 -11.09627 38.40356 
1 1 1   18   24    9 o  247.441   13.242  777.438   81.528  766.572   94.194  809.891  162.779  244.956   15.478  246.374   26.895 -1.418747 31.03061 
1 1 1   18   24   10 o   74.812   17.200   74.279   31.462   79.154   33.280   33.286   96.503   77.188   17.650   75.845   31.340 1.342896 35.96815 
1 1 1   18   24   11 o  125.432   16.194  203.593   49.539  198.460   55.989  222.101  106.316  123.078   18.814  125.698   33.328 -2.619484 38.27206 
1 1 1   18   24   12 o   84.286   17.701   94.097   36.072   97.673   38.751   70.883   98.732   85.717   18.635   84.594   32.771 1.122726 37.69841 
1 1 1   18   24   13 o   69.368   17.801   63.863   30.989   60.309   32.596   97.255   99.917   67.547   18.692   91.144   33.472 -23.59695 38.33725 
1 1 1   18   24   14 o  226.608   15.023  655.049   84.530  655.049   84.530   0.0000   0.0000  226.608   15.023  ?   ?  0.000000 15.02299 
1 1 1   18   24   15 o  141.946   13.112  256.993   45.954  271.286   50.416  186.808  111.720  145.655   14.035  115.786   35.377 29.86866 38.05898 
1 1 1   18   24   16 o  205.784   11.793  536.143   60.348  479.131   67.447  765.027  135.141  193.936   14.021  241.835   22.641 -47.89929 26.63132 
1 1 1   18   24   17 o  196.728   23.877  511.053  114.895  511.053  114.895   0.0000   0.0000  196.728   23.877  ?   ?  0.000000 23.87692 
1 1 1   18   24   18 o   74.846   17.975   74.520   33.174   76.377   34.961   57.742  105.085   75.712   18.621   83.179   33.314 -7.467194 38.16480 
1 1 1   18   24   19 o  117.515   13.941  177.471   40.113  162.188   43.415  266.617  104.854  111.756   16.015  138.417   31.094 -26.66171 34.97598 
1 1 1   18   24   20 o  294.876   13.668  1102.56  100.647  1141.85  118.881  1003.15  189.117  298.844   15.988  273.451   28.094 25.39258 32.32505 
1 1 1   18   24   21 o  135.832   13.883  236.504   46.430  248.723   51.551  184.004  106.854  139.012   15.093  114.378   34.521 24.63354 37.67598 
1 1 1   18   24   22 o  136.246   13.664  237.905   45.863  265.932   51.231  124.789  102.922  143.910   14.451   97.897   34.200 46.01289 37.12729 
1 1 1   18   24   23 o  141.540   13.412  256.573   46.840  267.978   52.738  213.965  101.936  144.279   14.850  122.579   32.698 21.70010 35.91216 
1 1 1   18   24   24 o  110.774   18.052  161.909   48.216  220.642   56.219  -1.4691   93.763  129.775   17.818   67.766   29.525 62.00965 34.48459 
1 1 1   18   24   25 o   70.611   19.830   66.795   36.404   74.517   40.258   32.159   85.260   74.401   20.838   71.324   29.464 3.076973 36.08804 
1 1 1   18   24   26 o  180.252   12.761  415.277   57.069  434.277   66.377  361.422  111.749  183.709   14.589  160.718   28.907 22.99088 32.37956 
1 1 1   18   24   27 o  152.324   13.283  298.174   50.020  333.712   57.751  191.466  100.073  160.769   14.542  114.338   33.131 46.43081 36.18216 
1 1 1   18   24   28 o  106.544   14.954  148.572   38.691  143.512   44.023  165.744   81.108  103.793   17.615  107.199   29.411 -3.405670 34.28254 
1 1 1   18   24   29 o  109.256   14.994  156.502   39.829  181.523   46.890   91.671   75.477  117.262   16.467   83.065   29.269 34.19778 33.58300 
1 1 1   18   24   30 o  270.563   13.421  940.213   90.680  1014.34  110.578  787.995  158.454  279.044   15.935  236.555   27.327 42.48885 31.63331 
1 1 1   18   24   31 o  177.646   12.734  406.862   56.115  464.596   68.529  289.374   97.759  188.957   14.637  140.790   28.777 48.16696 32.28588 
1 1 1   18   24   32 o  138.832   32.394  294.948  110.253  294.948  110.253   0.0000   0.0000  138.832   32.394  ?   ?  0.000000 32.39384 
1 1 1   18   24   33 o  117.426   35.000  221.240  110.351  221.240  110.351   0.0000   0.0000  117.426   35.000  ?   ?  0.000000 35.00050 
1 1 1   18   24   34 o   56.693   21.445   35.453   41.613   0.0000   0.0000   35.453   41.613  ?   ?    56.693   21.445 0.000000 21.44531 
1 1 1   18   25    0 o   53.132   18.049   34.482   28.600   27.951   29.535  132.827  114.609   50.288   18.239   99.040   35.928 -48.75227 40.29206 
1 1 1   18   25    1 o   45.107   17.840   15.576   29.775   15.544   30.962   15.977  108.572   45.707   18.156   74.637   32.144 -28.93025 36.91734 
1 1 1   18   25    2 o  153.224   13.041  300.741   49.425  309.352   53.567  251.432  128.182  155.130   13.978  129.784   37.465 25.34607 39.98740 
1 1 1   18   25    3 o   85.003   16.569   95.802   33.907   86.267   35.512  194.199  114.077   80.220   18.151  115.756   35.812 -35.53644 40.14882 
1 1 1   18   25    4 o   52.425   17.804   33.171   27.829   28.234   28.829  100.691  106.616   50.334   18.051   91.819   34.413 -41.48559 38.85978 
1 1 1   18   25    5 o  156.767   12.604  313.578   48.925  297.219   52.866  411.178  129.132  152.194   14.069  171.348   31.334 -19.15456 34.34725 
1 1 1   18   25    6 o  134.554   25.320  246.397   81.956  246.397   81.956   0.0000   0.0000  134.554   25.320  ?   ?  0.000000 25.32042 
1 1 1   18   25    7 o  157.777   13.596  318.383   53.044  370.642   58.526   77.996  125.523  170.233   13.889   91.018   36.425 79.21549 38.98314 
1 1 1   18   25    8 o  186.853   12.490  444.010   57.944  440.210   64.299  460.434  133.673  185.626   13.974  182.674   30.369 2.952209 33.43010 
1 1 1   18   25    9 o  161.229   12.724  331.210   50.814  324.017   55.619  367.520  124.970  159.083   14.148  162.091   32.010 -3.008759 34.99744 
1 1 1   18   25   10 o  213.066   12.242  576.096   64.864  535.942   72.846  729.797  142.520  204.869   14.329  234.476   24.712 -29.60751 28.56629 
1 1 1   18   25   11 f  261.459   12.981  866.001   84.757  845.787   97.716  927.412  170.322  257.254   15.279  263.744   26.208 -6.489685 30.33632 
1 1 1   18   25   12 o  214.302   15.705  588.455   83.459  550.187  101.782  666.983  145.803  205.516   20.089  223.124   26.698 -17.60800 33.41231 
1 1 1   18   25   13 o  305.249   17.025  1195.50  129.257  1195.50  129.257   0.0000   0.0000  305.249   17.025  ?   ?  0.000000 17.02481 
1 1 1   18   25   14 f  265.489   13.685  896.295   90.421  963.361  105.503  710.735  175.491  274.595   15.449  227.436   31.766 47.15915 35.32345 
1 1 1   18   25   15 o  195.283   13.375  485.539   64.830  529.201   73.503  332.591  137.572  203.559   14.556  152.077   36.656 51.48187 39.43990 
1 1 1   18   25   16 o  216.553   13.140  596.234   70.719  601.123   80.506  579.713  147.988  216.870   14.957  206.302   29.572 10.56830 33.13889 
1 1 1   18   25   17 o  251.114   13.421  801.737   83.855  856.062   97.356  645.598  165.050  258.885   15.125  216.693   31.418 42.19218 34.86887 
1 1 1   18   25   18 o  227.175   23.835  682.620  133.201  682.620  133.201   0.0000   0.0000  227.175   23.835  ?   ?  0.000000 23.83492 
1 1 1   18   25   19 o  267.252   13.119  905.557   87.555  893.832  101.362  940.018  173.771  264.331   15.423  265.019   26.617 -0.6880798 30.76250 
1 1 1   18   25   20 o   72.925   17.790   70.974   32.108   60.286   33.735  173.827  104.652   67.438   19.142  111.138   34.287 -43.70026 39.26817 
1 1 1   18   25   21 o  339.243   15.090  1468.36  127.838  1539.82  152.249  1297.57  235.383  345.605   17.700  307.286   31.103 38.31909 35.78704 
1 1 1   18   25   22 o  148.961   13.548  284.352   49.844  316.488   55.822  157.955  110.707  156.962   14.402  106.526   35.513 50.43542 38.32183 
1 1 1   18   25   23 o  111.424   15.081  161.399   40.883  185.124   44.885   45.845   99.058  119.359   15.419   78.081   31.950 41.27738 35.47620 
1 1 1   18   25   24 o   74.599   19.694   75.086   37.228   89.947   40.998   5.2541   88.873   81.476   20.241   67.026   28.974 14.44993 35.34347 
1 1 1   18   25   25 o   55.678   19.263   37.251   32.614   34.568   35.301   52.890   85.227   55.315   19.959   75.596   30.093 -20.28124 36.11049 
1 1 1   18   25   26 o   41.861   16.921   10.889   27.385   4.8268   29.001   60.789   83.203   40.552   17.002   76.721   29.982 -36.16887 34.46695 
1 1 1   18   25   27 o   90.541   16.463  109.078   35.851  118.145   39.645   68.400   83.978   93.967   17.540   78.452   30.270 15.51575 34.98466 
1 1 1   18   25   28 o  165.997   13.028  354.643   53.572  393.823   62.645  248.013  103.347  174.364   14.519  129.148   32.166 45.21626 35.29114 
1 1 1   18   25   29 o  222.187   12.799  634.365   70.715  674.826   83.742  533.810  132.017  228.124   14.780  193.709   28.113 34.41422 31.76106 
1 1 1   18   25   30 o  132.852   13.640  229.504   44.611  255.384   51.271  148.851   90.511  139.681   14.930   99.785   32.039 39.89613 35.34648 
1 1 1   18   25   31 o  109.444   31.914  183.497   92.592  183.497   92.592   0.0000   0.0000  109.444   31.914  ?   ?  0.000000 31.91360 
1 1 1   18   25   32 o  191.517   27.633  531.180  128.332  531.180  128.332   0.0000   0.0000  191.517   27.633  ?   ?  0.000000 27.63303 
1 1 1   18   25   33 o   55.185   22.192   25.697   46.841   0.0000   0.0000   25.697   46.841  ?   ?    55.185   22.192 0.000000 22.19233 
1 1 1   18   26    0 o   50.613   21.576   5.5362   48.016  -7.2675   53.143   62.446  112.039   49.918   21.975   82.302   33.863 -32.38432 40.36820 
1 1 1   18   26    1 o   64.607   18.440   56.089   31.217   55.278   32.345   67.115  119.257   64.253   18.898   85.085   34.964 -20.83244 39.74441 
1 1 1   18   26    2 o  136.163   17.218  243.866   57.238  249.251   63.827  221.745  129.355  136.862   19.204  120.466   38.262 16.39591 42.81050 
1 1 1   18   26    3 o   79.479   17.605   84.890   34.021   88.374   35.598   48.161  115.583   81.014   18.057   81.684   34.070 -0.6706009 38.55916 
1 1 1   18   26    4 o   89.574   16.070  106.103   34.626  101.009   36.202  160.826  118.652   87.014   17.270  106.442   36.746 -19.42788 40.60225 
1 1 1   18   26    5 o  107.523   14.568  150.312   38.108  150.290   40.296  150.497  117.252  107.243   15.496  104.191   36.497 3.052406 39.65045 
1 1 1   18   26    6 o  200.205   12.481  510.869   62.086  515.409   68.831  491.052  143.806  200.636   13.822  186.283   32.071 14.35263 34.92281 
1 1 1   18   26    7 o  178.721   23.045  426.890  100.455  426.890  100.455   0.0000   0.0000  178.721   23.045  ?   ?  0.000000 23.04540 
1 1 1   18   26    8 o   99.362   15.325  128.966   36.802  126.921   38.832  147.006  115.335   98.255   16.405  103.911   36.209 -5.655846 39.75172 
1 1 1   18   26    9 o  304.183   13.782  1177.39  104.686  1143.76  121.683  1273.18  205.361  298.233   16.402  307.289   27.037 -9.056458 31.62348 
1 1 1   18   26   10 o  280.341   13.084  997.867   91.593  948.115  105.067  1155.39  186.951  271.929   15.537  293.836   25.738 -21.90674 30.06383 
1 1 1   18   26   11 o  151.421   19.917  301.740   73.485  332.374   91.804  247.107  122.601  157.258   24.150  130.265   36.323 26.99280 43.61808 
1 1 1   18   26   12 o  242.645   14.809  753.209   89.304  753.209   89.304   0.0000   0.0000  242.645   14.809  ?   ?  0.000000 14.80925 
1 1 1   18   26   13 f  345.648   19.155  1548.06  164.688  1541.03  218.858  1557.25  250.053  339.742   25.994  338.035   29.932 1.707611 39.64337 
1 1 1   18   26   14 o   89.537   15.976  105.383   34.410  124.701   36.368 -59.6309  106.291   97.734   15.412   63.620   29.236 34.11384 33.04922 
1 1 1   18   26   15 o  330.563   14.457  1391.46  119.336  1398.52  140.555  1373.24  225.869  329.700   17.131  318.401   28.716 11.29956 33.43800 
1 1 1   18   26   16 o  192.478   12.923  471.969   61.755  504.086   69.264  347.464  136.375  198.591   14.058  154.937   35.943 43.65417 38.59456 
1 1 1   18   26   17 o  142.033   13.178  258.188   46.208  267.189   49.971  205.075  121.385  144.270   14.049  119.275   36.948 24.99534 39.52840 
1 1 1   18   26   18 o  148.983   24.774  300.183   88.933  300.183   88.933   0.0000   0.0000  148.983   24.774  ?   ?  0.000000 24.77436 
1 1 1   18   26   19 o  340.272   14.403  1475.97  122.385  1467.41  143.696  1498.58  233.539  337.473   17.107  332.236   28.422 5.237335 33.17365 
1 1 1   18   26   20 o  139.126   13.677  248.608   46.903  243.963   50.806  275.407  122.026  137.406   15.053  137.304   35.371 0.1019287 38.44115 
1 1 1   18   26   21 o  295.343   14.337  1113.37  105.740  1184.12  124.298  928.070  201.160  303.116   16.483  257.437   31.980 45.67856 35.97791 
1 1 1   18   26   22 o   71.309   17.637   68.228   31.233   66.065   32.778   89.545  102.918   70.133   18.463   88.083   33.628 -17.95020 38.36330 
1 1 1   18   26   23 o  218.202   12.797  607.987   69.424  660.535   79.891  445.942  140.293  226.906   14.170  175.914   33.152 50.99197 36.05396 
1 1 1   18   26   24 o  113.658   16.871  170.224   46.432  167.328   52.444  180.727   99.875  111.731   19.506  111.213   33.332 0.5182800 38.61954 
1 1 1   18   26   25 o  105.859   17.130  148.588   43.736  133.930   48.925  206.903   97.582   99.260   20.419  118.667   32.137 -19.40724 38.07568 
1 1 1   18   26   26 o   79.666   17.555   85.636   33.982   90.912   36.611   52.820   91.308   81.916   18.353   76.289   30.877 5.626793 35.91952 
1 1 1   18   26   27 o  155.335   13.078  311.043   50.258  335.857   57.100  225.710  105.887  160.947   14.358  122.115   33.647 38.83192 36.58215 
1 1 1   18   26   28 o   63.425   19.201   53.982   33.021   39.294   36.039  130.827   82.432   57.102   20.214   94.848   30.588 -37.74578 36.66362 
1 1 1   18   26   29 o  274.741   13.918  976.245   95.177  1031.59  113.452  844.751  174.873  280.693   16.255  241.459   29.623 39.23380 33.79021 
1 1 1   18   26   30 o  215.861   14.655  607.193   78.530  607.193   78.530   0.0000   0.0000  215.861   14.655  ?   ?  0.000000 14.65522 
1 1 1   18   26   31 o  236.110   25.734  791.187  149.271  791.187  149.271   0.0000   0.0000  236.110   25.734  ?   ?  0.000000 25.73368 
1 1 1   18   26   32 o   75.695   17.809   78.925   33.100   60.351   38.313  133.594   65.731   66.375   20.790   95.054   26.628 -28.67869 33.78301 
1 1 1   18   26   33 o  194.645   22.382  528.122  106.812   0.0000   0.0000  528.122  106.812  ?   ?   194.645   22.382 0.000000 22.38223 
1 1 1   18   27    0 o  109.239   22.879  168.085   60.411  185.550   68.957  110.429  125.288  113.784   24.955   91.711   36.494 22.07323 44.21031 
1 1 1   18   27    1 o   82.559   24.715   96.217   54.936  116.660   61.724   18.309  120.496   90.149   25.990   75.815   33.239 14.33343 42.19370 
1 1 1   18   27    2 o  155.391   19.592  324.011   74.335  371.338   88.938  214.319  135.398  164.980   22.147  116.064   39.273 48.91579 45.08696 
1 1 1   18   27    3 o   93.566   15.827  116.179   35.661  118.587   37.342   91.229  120.204   94.344   16.448   89.286   35.676 5.058067 39.28492 
1 1 1   18   27    4 o  245.996   13.447  777.135   82.294  795.700   93.301  712.082  174.648  248.014   15.137  221.396   32.562 26.61874 35.90865 
1 1 1   18   27    5 o  138.960   12.962  248.555   44.461  242.794   47.455  289.946  127.191  136.963   14.075  137.952   36.395 -0.9898071 39.02164 
1 1 1   18   27    6 o   68.068   17.371   62.342   29.626   57.987   30.684  122.239  113.800   65.715   18.115   96.271   35.657 -30.55543 39.99460 
1 1 1   18   27    7 o   38.304   15.886   5.6771   24.925   10.130   25.561 -80.5210  112.461   40.496   16.355   62.363   29.142 -21.86686 33.41797 
1 1 1   18   27    8 o  109.682   26.363  168.480   71.313  168.480   71.313   0.0000   0.0000  109.682   26.363  ?   ?  0.000000 26.36286 
1 1 1   18   27    9 f  215.155   12.319  590.024   65.910  554.747   72.995  745.752  153.366  207.927   14.142  233.700   26.762 -25.77321 30.26895 
1 1 1   18   27   10 o   90.952   35.184   94.364  113.684   0.0000   0.0000   94.364  113.684  ?   ?    90.952   35.184 0.000000 35.18363 
1 1 1   18   27   11 o   87.085   16.846  100.726   35.310  100.726   35.310   0.0000   0.0000   87.085   16.846  ?   ?  0.000000 16.84608 
1 1 1   18   27   12 o  267.268   13.575  912.183   90.307  931.257  103.912  853.317  182.549  269.139   15.527  248.095   30.080 21.04445 33.85140 
1 1 1   18   27   13 o  111.795   14.265  161.899   38.917  153.178   41.329  230.155  115.620  108.272   15.747  125.270   35.395 -16.99795 38.74008 
1 1 1   18   27   14 o  188.790   16.748  461.806   78.135  515.681   93.682  338.668  141.631  198.510   19.135  150.777   37.712 47.73250 42.28917 
1 1 1   18   27   15 o  290.962   13.198  1077.07   95.892  1050.92  110.777  1155.26  191.525  285.980   15.571  292.271   26.531 -6.291260 30.76215 
1 1 1   18   27   16 o  182.120   12.720  423.395   57.484  426.120   63.592  411.219  134.423  182.262   14.081  169.621   32.923 12.64098 35.80756 
1 1 1   18   27   17 o   41.078   16.193   12.854   24.453   10.787   25.115   50.507  107.212   40.573   16.273   80.816   33.174 -40.24352 36.95014 
1 1 1   18   27   18 f   91.846   16.037  111.257   35.444  123.086   37.294   0.7876  113.968   96.728   15.999   73.917   32.368 22.81114 36.10616 
1 1 1   18   27   19 o  256.387   23.942  881.139  151.516  881.139  151.516   0.0000   0.0000  256.387   23.942  ?   ?  0.000000 23.94232 
1 1 1   18   27   20 o   67.267   17.604   60.701   29.914   60.682   31.069   60.943  110.772   67.254   18.100   83.275   33.898 -16.02155 38.42745 
1 1 1   18   27   21 o  203.914   13.656  533.318   69.138  598.717   77.991  293.300  149.411  215.722   14.563  137.253   40.685 78.46843 43.21252 
1 1 1   18   27   22 o  129.968   13.931  218.420   44.510  243.634   47.979   62.727  119.226  137.248   14.205   84.940   34.938 52.30803 37.71534 
1 1 1   18   27   23 o  168.951   12.368  365.525   51.817  358.407   56.967  399.633  124.707  166.781   13.802  166.606   31.119 0.1753387 34.04220 
1 1 1   18   27   24 o   64.140   18.101   55.277   30.258   59.559   31.802   14.375   98.293   66.446   18.489   70.649   30.505 -4.203133 35.67109 
1 1 1   18   27   25 o  183.133   16.029  437.632   72.565  460.282   88.372  390.748  127.144  186.089   19.298  162.783   32.417 23.30585 37.72597 
1 1 1   18   27   26 o   61.025   18.174   49.796   29.762   44.493   31.375   97.449   94.051   58.499   18.871   86.566   32.346 -28.06665 37.44820 
1 1 1   18   27   27 o  123.439   13.818  198.513   41.862  217.916   46.098  107.252   99.976  129.112   14.551   89.201   33.345 39.91087 36.38191 
1 1 1   18   27   28 o  222.232   13.118  637.505   72.474  692.845   83.758  472.629  144.572  230.814   14.607  175.565   34.205 55.24908 37.19377 
1 1 1   18   27   29 o  210.003   13.315  571.063   69.467  640.302   79.973  358.244  140.208  221.673   14.527  148.029   37.797 73.64386 40.49313 
1 1 1   18   27   30 o   44.239   20.894 -56.1020   60.561 -56.1020   60.561   0.0000   0.0000   44.239   20.894  ?   ?  0.000000 20.89423 
1 1 1   18   27   31 o  261.557   12.577  882.327   82.150  913.787   97.818  807.028  151.331  264.136   14.891  237.305   25.960 26.83131 29.92785 
1 1 1   18   28    0 o   69.551   24.185   65.704   51.444   70.846   55.368   33.233  139.129   71.852   25.085   79.044   35.137 -7.191704 43.17244 
1 1 1   18   28    1 o   92.588   23.993  124.175   55.926  135.999   62.292   75.036  126.988   96.225   25.510   84.127   35.439 12.09758 43.66585 
1 1 1   18   28    2 o  157.896   19.617  338.522   75.681  401.510   89.757  183.610  140.761  170.784   21.524  106.297   39.600 64.48709 45.07144 
1 1 1   18   28    3 o  172.265   19.150  399.182   80.987  474.174   97.433  231.556  145.669  186.365   21.319  117.372   40.704 68.99203 45.94960 
1 1 1   18   28    4 o  104.231   15.666  144.081   39.516  157.667   41.579   17.270  127.030  109.100   15.715   77.072   33.950 32.02783 37.41034 
1 1 1   18   28    5 o   63.536   18.021   54.583   29.913   59.662   30.935 -18.4849  117.332   66.259   18.157   70.146   31.637 -3.886436 36.47754 
1 1 1   18   28    6 o  114.347   13.981  170.466   39.091  161.033   41.049  262.299  128.087  110.654   15.262  128.877   37.523 -18.22252 40.50761 
1 1 1   18   28    7 o  111.081   14.629  161.415   39.591  171.331   41.790   74.547  123.688  114.366   14.994   86.819   35.634 27.54697 38.65996 
1 1 1   18   28    8 o  162.268   13.243  339.084   53.193  358.921   57.711  227.069  137.138  166.684   13.994  120.443   39.495 46.24127 41.90125 
1 1 1   18   28   10 o  174.799   12.807  391.880   55.513  402.765   60.209  330.156  143.378  176.872   13.740  145.759   38.731 31.11366 41.09571 
1 1 1   18   28   11 o  167.322   12.960  359.298   53.730  380.288   58.391  243.339  137.241  171.893   13.717  125.360   39.362 46.53271 41.68333 
1 1 1   18   28   12 o   88.751   15.312  103.946   32.709   98.070   34.075  172.876  116.704   85.806   16.502  108.621   36.462 -22.81523 40.02275 
1 1 1   18   28   13 o  128.138   13.635  212.074   42.959  229.446   45.959   91.896  120.879  133.210   14.027   90.816   35.938 42.39437 38.57810 
1 1 1   18   28   14 o  166.236   12.805  354.192   52.748  343.851   57.502  409.092  132.492  163.279   14.245  167.920   32.773 -4.641876 35.73473 
1 1 1   18   28   15 o   66.227   19.010   58.757   33.086   57.455   34.609   72.586  112.771   65.682   19.606   85.584   34.428 -19.90262 39.61953 
1 1 1   18   28   16 o  173.668   12.449  385.885   53.631  375.633   58.581  438.975  133.309  170.846   13.850  174.816   31.705 -3.970337 34.59779 
1 1 1   18   28   17 o  106.753   13.855  148.050   36.063  135.731   37.869  268.047  118.192  101.683   15.395  133.854   34.974 -32.17104 38.21222 
1 1 1   18   28   18 o  273.742   13.035  956.464   89.105  924.905  101.500  1062.53  186.072  267.727   15.245  277.636   27.187 -9.909180 31.16958 
1 1 1   18   28   19 o  201.081   13.036  518.328   65.106  546.698   71.846  388.046  153.962  206.108   14.043  158.116   39.190 47.99179 41.63027 
1 1 1   18   28   20 o  248.807   23.679  837.975  145.346  837.975  145.346   0.0000   0.0000  248.807   23.679  ?   ?  0.000000 23.67888 
1 1 1   18   28   21 o  285.393   13.266  1042.29   94.544  994.910  108.055  1196.99  195.259  277.107   15.679  294.100   26.884 -16.99377 31.12231 
1 1 1   18   28   22 o   88.131   15.777  103.219   33.448  108.376   34.933   46.412  115.950   90.258   16.089   80.433   33.873 9.825111 37.49929 
1 1 1   18   28   23 o  179.022   12.511  411.556   55.577  410.400   60.780  417.453  137.291  178.255   13.761  166.723   34.125 11.53188 36.79502 
1 1 1   18   28   24 o  195.977   12.655  493.683   61.602  526.544   68.977  364.202  136.920  201.898   13.763  153.039   36.364 48.85982 38.88177 
1 1 1   18   28   25 o   70.271   19.611   67.676   35.722   73.573   38.153   25.768  101.710   73.089   20.221   72.612   31.190 0.4770203 37.17087 
1 1 1   18   28   26 o  222.913   12.272  638.709   68.050  656.271   77.497  579.563  142.221  225.090   13.854  199.553   29.423 25.53705 32.52158 
1 1 1   18   28   27 o  121.753   13.965  194.007   41.692  213.021   45.480   93.923  104.344  127.400   14.557   85.746   33.557 41.65425 36.57818 
1 1 1   18   28   28 o  159.323   13.446  330.220   52.994  365.371   58.561  171.253  124.536  167.286   14.151  103.662   37.475 63.62440 40.05746 
1 1 1   18   28   29 o  166.170   12.938  358.529   53.262  396.426   59.629  208.950  118.464  174.320   13.811  112.378   36.701 61.94187 39.21355 
1 1 1   18   28   30 o  123.147   25.851  221.968   76.964  221.968   76.964   0.0000   0.0000  123.147   25.851  ?   ?  0.000000 25.85086 
1 1 1   18   28   31 o   75.352   30.111   66.637   85.635   0.0000   0.0000   66.637   85.635  ?   ?    75.352   30.111 0.000000 30.11083 
1 1 1   18   28   32 o   73.629   28.838   66.612   77.107   0.0000   0.0000   66.612   77.107  ?   ?    73.629   28.838 0.000000 28.83788 
1 1 1   18   29    0 o   46.297   20.093   2.8719   43.085   10.653   45.735 -58.4996  128.441   49.495   21.077   64.376   30.412 -14.88100 37.00193 
1 1 1   18   29    1 o  162.447   22.602  376.944   89.204  376.944   89.204   0.0000   0.0000  162.447   22.602  ?   ?  0.000000 22.60226 
1 1 1   18   29    2 o   81.203   23.577   96.211   50.631   79.585   55.111  186.184  128.205   74.664   25.057  103.744   37.943 -29.07996 45.46984 
1 1 1   18   29    3 f  152.909   19.449  320.346   72.584  341.647   84.595  260.906  141.317  155.841   22.380  120.583   40.119 35.25738 45.93914 
1 1 1   18   29    4 o  113.441   22.225  181.863   60.708  219.812   69.046   52.597  127.433  124.469   23.063   80.542   34.755 43.92667 41.71165 
1 1 1   18   29    5 o   58.544   23.082   33.234   49.692   39.049   54.315   3.3764  123.079   61.718   24.195   73.115   32.736 -11.39633 40.70656 
1 1 1   18   29    6 o  166.536   16.816  367.846   68.973  371.612   78.647  355.300  143.544  165.863   19.352  146.415   38.681 19.44829 43.25177 
1 1 1   18   29    7 o  161.987   12.893  339.380   51.722  335.536   55.459  365.051  143.314  160.583   13.969  149.759   38.200 10.82457 40.67413 
1 1 1   18   29    8 o  170.239   17.129  383.426   71.828  394.991   82.654  347.749  145.177  171.316   19.678  145.829   39.076 25.48703 43.75052 
1 1 1   18   29    9 o  132.784   13.042  228.370   42.686  237.830   45.116  147.572  131.852  135.348   13.530  100.805   38.163 34.54274 40.49071 
1 1 1   18   29   10 o   65.738   24.499   49.920   53.883   49.920   53.883   0.0000   0.0000   65.738   24.499  ?   ?  0.000000 24.49854 
1 1 1   18   29   11 f  119.612   13.390  185.760   39.308  184.860   41.352  194.202  126.613  119.040   14.190  111.778   37.977 7.262352 40.54119 
1 1 1   18   29   12 o   97.710   14.839  125.736   35.068  137.390   36.627  -2.4859  121.495  102.242   14.774   73.754   32.808 28.48736 35.98108 
1 1 1   18   29   13 o  213.286   12.776  584.046   67.733  596.583   75.458  532.050  153.673  214.914   14.139  189.081   33.786 25.83261 36.62522 
1 1 1   18   29   14 o   53.503   17.043   36.924   25.651   38.737   26.326   2.9212  113.992   54.635   17.251   72.748   32.097 -18.11364 36.43902 
1 1 1   18   29   15 o   83.904   19.011   95.982   38.910  114.920   41.336 -51.3026  115.273   92.109   18.611   65.844   30.327 26.26520 35.58265 
1 1 1   18   29   16 o   81.342   15.833   88.367   31.004   83.369   32.065  160.152  121.520   78.680   16.829  104.236   37.094 -25.55579 40.73328 
1 1 1   18   29   17 o  197.639   12.563  501.220   61.680  505.744   67.855  479.699  147.986  197.981   13.811  178.937   34.368 19.04425 37.03886 
1 1 1   18   29   18 f   78.672   16.767   83.374   31.934   87.265   33.166   33.923  118.236   80.447   17.040   78.537   33.678 1.910164 37.74355 
1 1 1   18   29   19 o  219.830   13.523  622.684   73.875  660.485   82.757  474.390  163.914  225.765   14.760  173.454   38.812 52.31108 41.52425 
1 1 1   18   29   20 o  106.426   25.664  161.608   67.412  161.608   67.412   0.0000   0.0000  106.426   25.664  ?   ?  0.000000 25.66375 
1 1 1   18   29   21 o  295.412   13.318  1121.21   98.245  1096.94  111.945  1202.56  204.948  290.395   15.493  290.663   28.607 -0.2680969 32.53259 
1 1 1   18   29   22 o   88.167   15.540  103.616   32.964  111.192   34.266   9.5740  120.729   91.395   15.572   74.704   32.992 16.69070 36.48236 
1 1 1   18   29   23 o  136.439   13.332  241.699   44.843  245.942   47.682  209.212  131.932  137.334   14.104  113.800   38.766 23.53458 41.25155 
1 1 1   18   29   24 o  155.862   12.201  313.276   47.110  288.995   50.291  487.258  134.619  149.063   13.662  181.132   30.869 -32.06889 33.75692 
1 1 1   18   29   25 o   96.248   17.950  126.005   41.556  122.258   44.618  150.525  114.142   94.082   19.626   99.174   35.873 -5.091911 40.89082 
1 1 1   18   29   26 f   84.028   15.890   95.189   32.121   85.953   33.696  187.127  106.313   79.211   17.501  108.215   34.720 -29.00328 38.88199 
1 1 1   18   29   27 o  130.317   12.879  221.215   41.364  208.886   44.388  302.571  114.023  125.970   14.368  138.355   33.385 -12.38490 36.34582 
1 1 1   18   29   28 o  115.558   14.212  176.215   40.146  178.332   42.557  159.106  120.987  115.886   15.062   99.594   36.790 16.29169 39.75375 
1 1 1   18   29   29 o   92.636   15.836  115.769   35.317  108.398   37.372  177.330  108.006   88.901   17.457  103.913   35.076 -15.01216 39.18036 
1 1 1   18   29   30 o  230.501   23.383  751.958  132.729  751.958  132.729   0.0000   0.0000  230.501   23.383  ?   ?  0.000000 23.38278 
1 1 1   18   29   31 o   57.727   26.492 -28.6664   86.878   0.0000   0.0000 -28.6664   86.878  ?   ?    57.727   26.492 0.000000 26.49188 
1 1 1   18   30    0 o   92.564   23.419  131.124   54.173  120.192   58.593  195.498  142.180   87.254   25.371   97.374   38.835 -10.12008 46.38842 
1 1 1   18   30    1 o  105.749   23.685  168.798   60.993  224.793   67.814 -68.3112  139.546  123.192   22.886   64.566   30.842 58.62654 38.40557 
1 1 1   18   30    2 o   51.153   21.432   17.030   46.032   17.030   46.032   0.0000   0.0000   51.153   21.432  ?   ?  0.000000 21.43158 
1 1 1   18   30    3 o   96.293   23.028  136.967   54.628  126.861   59.836  187.557  133.878   91.278   25.348  101.092   38.412 -9.813927 46.02149 
1 1 1   18   30    4 o   79.346   23.690   92.636   50.523   94.861   54.731   79.816  131.395   79.983   24.815   82.814   35.507 -2.830627 43.31924 
1 1 1   18   30    5 f  156.274   18.911  334.972   72.299  340.608   83.729  318.453  143.341  155.043   22.265  131.882   40.023 23.16141 45.79902 
1 1 1   18   30    6 o  133.931   20.320  249.147   65.828  219.841   74.584  352.444  140.027  122.421   25.236  142.397   38.469 -19.97619 46.00798 
1 1 1   18   30    7 o  157.060   17.524  331.967   67.560  349.596   75.989  265.477  147.582  159.943   19.424  121.159   41.002 38.78426 45.36997 
1 1 1   18   30    8 o  195.633   12.974  496.730   63.023  507.804   68.732  438.254  157.945  197.171   14.051  160.156   39.693 37.01488 42.10651 
1 1 1   18   30    9 o   58.737   17.639   46.577   27.951   51.463   28.682 -45.6197  124.592   61.447   17.717   67.327   31.192 -5.879131 35.87294 
1 1 1   18   30   10 o  121.678   13.332  193.306   39.845  180.085   41.759  327.673  133.127  116.881   14.628  141.270   37.217 -24.38915 39.98864 
1 1 1   18   30   11 o   47.532   20.802  -3.1335   47.010  -3.1335   47.010   0.0000   0.0000   47.532   20.802  ?   ?  0.000000 20.80196 
1 1 1   18   30   12 o   84.438   15.512   95.545   31.503   94.143   32.588  115.553  123.111   83.565   16.201   92.388   36.361 -8.823112 39.80662 
1 1 1   18   30   13 o  121.884   13.379  193.590   40.052  191.566   42.060  213.269  131.172  120.926   14.199  114.175   38.655 6.751373 41.18010 
1 1 1   18   30   14 f  108.408   13.952  154.082   36.893  153.551   38.682  159.421  122.717  107.929   14.737  102.065   37.153 5.864777 39.96955 
1 1 1   18   30   15 o   85.399   15.328   97.397   31.486   95.698   32.638  120.204  119.560   84.381   16.076   93.430   36.099 -9.049286 39.51640 
1 1 1   18   30   16 f  219.690   16.315  634.146   88.868  590.947  105.545  739.369  164.725  209.101   20.476  224.839   30.093 -15.73796 36.39879 
1 1 1   18   30   17 o   94.350   14.283  117.474   32.600  105.855   33.762  277.496  125.297   88.958   15.776  131.329   36.756 -42.37160 39.99823 
1 1 1   18   30   18 o  187.100   13.066  452.501   60.665  493.062   66.607  255.099  146.939  194.981   13.768  122.799   40.912 72.18253 43.16661 
1 1 1   18   30   19 o  230.098   13.129  683.853   75.125  710.553   84.004  577.195  167.895  233.737   14.463  191.697   36.404 42.03911 39.17199 
1 1 1   18   30   20 o   43.192   16.104   19.470   23.289   19.245   23.740   25.233  120.107   43.288   16.236   76.137   33.287 -32.84876 37.03571 
1 1 1   18   30   21 o   76.509   25.156   81.440   55.620   81.440   55.620   0.0000   0.0000   76.509   25.156  ?   ?  0.000000 25.15563 
1 1 1   18   30   22 o  236.854   12.353  723.105   72.814  690.062   80.218  877.706  173.517  230.337   14.013  245.006   28.918 -14.66924 32.13427 
1 1 1   18   30   23 o   98.396   14.840  128.640   35.330  140.604   36.708 -21.7663  130.154  103.010   14.686   71.473   32.661 31.53662 35.81073 
1 1 1   18   30   24 o   89.764   15.102  107.813   32.651  108.745   33.794   94.738  126.620   89.966   15.608   87.552   36.008 2.414551 39.24519 
1 1 1   18   30   25 f   86.771   15.236  101.148   31.809   95.751   32.920  177.076  123.482   83.977   16.286  103.657   37.339 -19.67899 40.73578 
1 1 1   18   30   26 o   51.076   18.215   31.475   29.315   30.551   30.409   43.629  110.294   50.985   18.505   75.478   32.451 -24.49297 37.35647 
1 1 1   18   30   27 o  140.531   12.554  257.299   43.594  265.308   46.815  205.049  119.581  142.347   13.325  109.548   36.908 32.79990 39.24022 
1 1 1   18   30   28 o   60.255   17.953   49.818   29.037   49.509   29.911   54.885  121.059   60.133   18.290   78.591   33.894 -18.45760 38.51419 
1 1 1   18   30   29 o   99.484   14.874  132.574   35.818  136.955   37.539   88.042  119.678  100.915   15.383   83.629   34.756 17.28568 38.00840 
1 1 1   18   31    0 o   43.363   19.070   1.4544   39.934   10.266   41.622 -100.6580  141.689   46.404   19.943   59.739   29.141 -13.33488 35.31160 
1 1 1   18   31    1 o  115.776   21.243  199.438   59.153  191.380   64.416  242.799  149.423  110.938   23.953  101.824   40.063 9.113663 46.67787 
1 1 1   18   31    2 o   77.353   23.552   92.527   49.578  102.135   53.137   27.931  137.778   80.719   24.339   72.059   33.177 8.659668 41.14762 
1 1 1   18   31    3 o   92.754   24.703  134.087   58.240  134.087   58.240   0.0000   0.0000   92.754   24.703  ?   ?  0.000000 24.70275 
1 1 1   18   31    4 o  105.814   22.191  165.588   56.764  178.653   62.156   99.937  139.327  108.988   23.527   83.342   36.152 25.64587 43.13312 
1 1 1   18   31    5 o  114.041   21.943  189.693   60.220  174.341   66.297  262.111  143.990  106.711   25.269  113.574   40.383 -6.862984 47.63698 
1 1 1   18   31    6 o  243.580   19.500  824.245  117.619  868.798  146.089  742.150  198.307  243.449   24.357  200.120   41.059 43.32884 47.74012 
1 1 1   18   31    7 f  149.167   19.530  309.819   71.002  304.562   81.383  326.572  145.282  144.899   23.280  130.788   40.406 14.11082 46.63255 
1 1 1   18   31    8 o  133.985   17.684  245.240   57.722  244.368   62.369  250.446  152.393  132.630   19.405  113.768   41.404 18.86162 45.72625 
1 1 1   18   31    9 o   55.966   17.227   42.446   26.436   40.764   27.024   79.778  127.321   55.104   17.487   82.961   35.245 -27.85656 39.34431 
1 1 1   18   31   10 o   85.739   16.081  100.042   33.165  114.796   34.331 -106.0683  128.316   92.261   15.447   61.198   29.325 31.06218 33.14454 
1 1 1   18   31   11 o  131.987   13.231  228.248   43.021  230.668   45.355  206.530  135.884  132.358   13.931  108.443   39.154 23.91505 41.55827 
1 1 1   18   31   12 o   65.893   23.485   56.755   48.728   56.755   48.728   0.0000   0.0000   65.893   23.485  ?   ?  0.000000 23.48504 
1 1 1   18   31   13 o   75.323   15.631   77.049   28.438   64.338   29.152  326.973  129.264   68.333   17.120  139.914   36.584 -71.58051 40.39123 
1 1 1   18   31   14 o   49.381   16.720   30.735   24.542   28.179   25.044   92.647  123.258   48.160   16.868   86.312   35.516 -38.15163 39.31781 
1 1 1   18   31   15 o   80.789   15.486   88.131   30.105   84.961   30.992  141.153  126.747   79.018   16.249   96.027   37.149 -17.00828 40.54745 
1 1 1   18   31   16 o  123.445   12.940  198.936   39.295  199.202   41.085  196.076  134.590  123.264   13.572  107.684   38.953 15.57994 41.25017 
1 1 1   18   31   17 o   39.541   16.074   9.9472   24.868   10.697   25.439  -6.1924  118.026   40.182   16.286   70.153   31.677 -29.97115 35.61853 
1 1 1   18   31   18 o  132.886   13.248  230.719   43.376  234.204   45.786  200.203  135.478  133.589   13.930  108.482   39.106 25.10699 41.51321 
1 1 1   18   31   19 o   60.908   16.540   50.695   25.806   47.980   26.370  112.129  125.423   59.339   16.952   90.195   36.299 -30.85589 40.06244 
1 1 1   18   31   20 o  151.009   12.474  296.165   46.620  310.340   49.545  186.671  137.704  154.363   12.973  105.166   39.169 49.19672 41.26210 
1 1 1   18   31   21 o   30.415   13.399  -4.2872   19.792  -5.9050   20.059   55.260  121.695   30.064   13.354   79.468   34.125 -49.40456 36.64474 
1 1 1   18   31   22 o   79.735   24.306   92.117   52.782   92.117   52.782   0.0000   0.0000   79.735   24.306  ?   ?  0.000000 24.30631 
1 1 1   18   31   23 o   52.035   16.608   35.741   24.348   30.904   24.761  177.205  133.902   49.433   16.794  102.292   38.521 -52.85918 42.02306 
1 1 1   18   31   24 f  111.162   13.221  162.606   35.981  154.627   37.234  275.203  139.872  107.973   14.150  123.051   39.861 -15.07832 42.29839 
1 1 1   18   31   25 o   61.307   16.617   51.766   26.076   49.919   26.634   94.499  128.088   60.230   16.978   85.744   35.823 -25.51413 39.64244 
1 1 1   18   31   26 o  102.913   18.219  146.311   45.108  149.515   48.092  122.867  130.097  103.466   19.324   90.527   36.780 12.93963 41.54698 
1 1 1   18   31   27 o  112.850   12.879  167.546   35.644  155.648   37.175  303.175  125.509  108.188   14.095  131.807   36.750 -23.61950 39.36063 
1 1 1   18   31   28 o  114.286   13.357  172.579   37.400  174.493   38.959  150.102  133.535  114.676   13.888   94.956   37.710 19.71908 40.18609 
1 1 1   18   31   29 o  102.181   38.046  187.855  129.898   0.0000   0.0000  187.855  129.898  ?   ?   102.181   38.046 0.000000 38.04601 
1 1 1   18   32    0 o   77.825   35.747  119.594  158.656   0.0000   0.0000  119.594  158.656  ?   ?    77.825   35.747 0.000000 35.74678 
1 1 1   18   32    1 o  124.053   21.521  234.934   64.252  251.606   70.265  149.845  158.736  126.821   23.035   82.589   37.063 44.23141 43.63825 
1 1 1   18   32    2 o   96.714   23.143  147.463   55.147  161.891   59.088   50.012  153.569  100.835   23.841   73.030   34.102 27.80448 41.60995 
1 1 1   18   32    3 o   54.538   21.346   35.948   42.226   25.665   44.143  146.644  144.833   51.750   21.270   85.217   36.912 -33.46717 42.60152 
1 1 1   18   32    4 o   74.110   23.978   85.884   50.624   85.884   50.624   0.0000   0.0000   74.110   23.978  ?   ?  0.000000 23.97803 
1 1 1   18   32    5 o  179.004   19.842  460.169   87.203  517.097  100.990  293.315  172.896  187.091   22.039  108.395   42.953 78.69666 48.27675 
1 1 1   18   32    6 o   68.484   23.340   69.424   47.826   78.337   51.169   7.8226  134.520   71.926   24.144   69.994   32.422 1.931740 40.42431 
1 1 1   18   32    7 o  104.512   24.125  166.875   61.686  166.875   61.686   0.0000   0.0000  104.512   24.125  ?   ?  0.000000 24.12476 
1 1 1   18   32    8 o   28.987   14.164 -57.6194   33.894 -41.0799   35.249 -260.3235  123.402   32.379   15.476   47.986   24.047 -15.60714 28.59708 
1 1 1   18   32    9 o  125.909   18.198  220.643   55.559  239.751   60.467  117.078  140.773  130.677   19.093   86.959   37.004 43.71826 41.63953 
1 1 1   18   32   10 o   39.798   15.707   13.784   23.031   9.4292   23.383  155.285  133.298   38.082   15.546   93.910   37.553 -55.82748 40.64342 
1 1 1   18   32   11 o   58.448   17.288   47.313   27.000   50.974   27.604 -33.5912  129.767   60.494   17.364   67.104   31.340 -6.610794 35.82834 
1 1 1   18   32   12 o   47.031   16.727   26.901   24.707   27.903   25.185   1.2904  127.336   47.697   16.896   70.823   32.341 -23.12660 36.48877 
1 1 1   18   32   13 o   61.891   23.219   47.562   48.562   47.562   48.562   0.0000   0.0000   61.891   23.219  ?   ?  0.000000 23.21947 
1 1 1   18   32   14 o   91.641   14.217  112.516   31.480  110.206   32.402  151.367  132.871   90.397   14.871   95.114   37.666 -4.717148 40.49520 
1 1 1   18   32   15 o   87.373   14.914  103.065   31.372  104.222   32.262   82.957  134.518   87.715   15.284   83.786   35.925 3.929489 39.04160 
1 1 1   18   32   16 o  155.717   12.916  317.454   49.772  309.652   52.823  379.199  148.601  153.191   13.962  144.074   39.924 9.117111 42.29478 
1 1 1   18   32   17 o   50.056   16.608   32.532   24.224   31.351   24.678   63.726  126.811   49.511   16.766   80.090   34.615 -30.57901 38.46204 
1 1 1   18   32   18 o   60.508   18.739   50.359   31.225   55.765   32.242 -31.3189  125.325   63.310   18.930   67.363   31.236 -4.053181 36.52405 
1 1 1   18   32   19 o   72.500   16.453   72.554   29.104   81.945   29.880 -101.2444  128.544   77.318   16.003   61.250   29.350 16.06808 33.42914 
1 1 1   18   32   20 o   34.599   14.419   4.9313   20.677   8.0526   20.965 -106.5672  125.301   36.149   14.734   59.923   28.784 -23.77417 32.33566 
1 1 1   18   32   21 o  108.579   12.907  155.336   34.309  142.173   35.386  361.876  140.165  103.310   14.083  142.227   38.516 -38.91630 41.00972 
1 1 1   18   32   22 o   97.863   23.366  140.906   56.312  140.906   56.312   0.0000   0.0000   97.863   23.366  ?   ?  0.000000 23.36552 
1 1 1   18   32   23 o   46.542   16.276   26.706   23.313   24.743   23.642   95.611  140.061   45.604   16.348   85.903   36.741 -40.29942 40.21371 
1 1 1   18   32   24 o  125.052   13.136  206.145   40.407  220.501   42.057   33.937  145.665  129.335   13.207   78.082   35.231 51.25273 37.62488 
1 1 1   18   32   25 o   73.921   15.676   75.106   28.040   82.512   28.623 -100.9876  139.566   77.718   15.293   63.327   30.408 14.39154 34.03680 
1 1 1   18   32   26 o  115.665   12.800  176.377   36.350  171.389   37.623  246.382  140.953  113.660   13.521  112.846   39.972 0.8132172 42.19732 
1 1 1   18   32   27 o   69.635   19.396   69.115   34.979   68.278   36.276   80.197  131.986   69.128   19.923   81.869   35.349 -12.74114 40.57726 
1 1 1   18   32   28 o   90.377   37.954  131.437  144.919   0.0000   0.0000  131.437  144.919  ?   ?    90.377   37.954 0.000000 37.95409 
1 1 1   18   32   29 o   72.978   33.274   15.763  134.145   0.0000   0.0000   15.763  134.145  ?   ?    72.978   33.274 0.000000 33.27422 
1 1 1   18   33    0 o   77.012   23.703  101.794   50.048  103.629   52.432   82.979  167.884   77.088   24.346   70.752   33.805 6.336113 41.66004 
1 1 1   18   33    1 o   60.856   29.863 -62.8746  155.527   0.0000   0.0000 -62.8746  155.527  ?   ?    60.856   29.863 0.000000 29.86252 
1 1 1   18   33    2 o   91.381   22.823  135.182   51.926  129.300   54.755  187.745  163.674   87.929   24.182   84.002   37.670 3.927010 44.76419 
1 1 1   18   33    3 o   44.439   19.019   11.054   37.574   22.210   38.852 -150.1627  147.691   48.297   19.915   56.042   27.796 -7.745022 34.19346 
1 1 1   18   33    4 o   55.289   21.543   39.385   42.862   57.966   44.858 -155.6038  145.315   62.250   22.493   55.862   27.682 6.388676 35.66861 
1 1 1   18   33    5 o   83.509   24.081  112.962   52.983  112.962   52.983   0.0000   0.0000   83.509   24.081  ?   ?  0.000000 24.08113 
1 1 1   18   33    6 o   65.374   23.012   64.319   46.644   64.319   46.644   0.0000   0.0000   65.374   23.012  ?   ?  0.000000 23.01172 
1 1 1   18   33    7 o   64.476   22.336   61.512   43.856   60.542   46.167   70.485  140.392   64.216   22.863   75.789   34.356 -11.57297 41.26741 
1 1 1   18   33    8 o   98.813   22.009  147.758   52.916  143.484   56.976  174.575  142.738   95.805   23.895   91.349   37.961 4.456108 44.85534 
1 1 1   18   33    9 o   61.974   22.084   54.152   43.083   54.909   45.567   47.770  132.307   62.536   22.659   73.648   33.371 -11.11173 40.33665 
1 1 1   18   33   10 o   58.090   19.608   46.980   33.753   57.937   34.821 -123.3941  137.306   63.340   19.817   58.925   28.731 4.414883 34.90264 
1 1 1   18   33   11 f   61.956   16.983   54.338   27.058   56.730   27.611  -3.6184  135.925   63.248   17.081   69.348   32.282 -6.099808 36.52256 
1 1 1   18   33   12 o   50.270   16.636   33.744   24.310   34.541   24.717   10.136  134.498   50.781   16.773   70.981   32.717 -20.20011 36.76615 
1 1 1   18   33   13 o   80.909   15.368   90.151   29.915   88.631   30.601  122.948  142.146   79.971   15.883   86.919   37.090 -6.947853 40.34803 
1 1 1   18   33   14 o   69.930   23.140   71.591   47.038   71.591   47.038   0.0000   0.0000   69.930   23.140  ?   ?  0.000000 23.14043 
1 1 1   18   33   15 o   57.317   16.589   45.675   25.102   48.910   25.561 -42.1483  133.165   59.191   16.614   66.092   31.144 -6.901031 35.29819 
1 1 1   18   33   16 o  109.870   13.381  160.735   35.955  160.131   37.210  169.238  139.616  109.379   13.940   95.635   38.365 13.74412 40.81920 
1 1 1   18   33   17 o  110.681   13.418  163.060   36.328  167.459   37.595  101.085  141.105  112.025   13.726   84.807   36.584 27.21808 39.07435 
1 1 1   18   33   18 o   38.053   14.903   12.952   20.590   15.882   20.856 -99.5000  129.196   39.667   15.140   60.366   29.055 -20.69965 32.76301 
1 1 1   18   33   19 o   65.590   18.847   61.104   32.507   61.935   33.511   47.860  133.791   65.962   19.189   76.818   34.281 -10.85593 39.28617 
1 1 1   18   33   20 o   40.527   15.300   17.270   21.153   15.966   21.407   71.352  137.862   39.987   15.320   80.477   35.411 -40.48974 38.58300 
1 1 1   18   33   21 o   43.040   15.514   21.856   21.321   21.776   21.601   24.903  132.934   43.105   15.603   73.758   33.433 -30.65329 36.89484 
1 1 1   18   33   22 f  142.784   12.770  268.605   45.052  282.538   47.231  127.967  150.054  146.288   13.067   89.357   38.119 56.93085 40.29616 
1 1 1   18   33   23 o   85.597   22.424  108.831   48.505  108.831   48.505   0.0000   0.0000   85.597   22.424  ?   ?  0.000000 22.42373 
1 1 1   18   33   24 o  109.022   13.198  158.005   35.199  156.001   36.174  193.692  152.673  108.067   13.713   99.524   40.051 8.543015 42.33322 
1 1 1   18   33   25 o   56.909   15.864   44.885   23.390   45.650   23.690   15.337  147.257   57.361   15.957   74.537   34.311 -17.17528 37.83998 
1 1 1   18   33   26 o   70.198   15.220   68.026   25.912   66.979   26.301  102.607  151.196   69.525   15.540   85.272   37.313 -15.74692 40.41923 
1 1 1   18   33   27 o   36.254   15.619   1.1987   25.652   1.8352   26.074 -18.0105  143.237   36.739   15.786   70.124   32.808 -33.38585 36.40804 
1 1 1   18   33   28 o   68.709   32.523 -39.4924  148.203   0.0000   0.0000 -39.4924  148.203  ?   ?    68.709   32.523 0.000000 32.52261 
1 1 1   18   34    0 o   43.921   19.144   12.512   39.454   19.538   40.590 -107.7689  167.948   46.191   19.768   55.992   28.059 -9.801125 34.32285 
1 1 1   18   34    1 o   56.277   21.683   48.600   43.040   49.451   44.555   36.713  166.473   56.681   21.998   64.835   31.618 -8.153843 38.51783 
1 1 1   18   34    2 o   65.646   31.833   31.679  162.355   0.0000   0.0000   31.679  162.355  ?   ?    65.646   31.833 0.000000 31.83322 
1 1 1   18   34    3 o   35.250   16.526 -23.5231   36.673 -20.4963   37.680 -77.9090  159.722   36.356   16.949   59.658   29.464 -23.30129 33.99104 
1 1 1   18   34    4 o   76.651   23.250   98.151   48.381   96.716   50.711  112.694  161.447   75.509   23.954   74.752   34.927 0.7564926 42.35149 
1 1 1   18   34    5 o   70.305   23.292   81.051   47.652   81.051   47.652   0.0000   0.0000   70.305   23.292  ?   ?  0.000000 23.29225 
1 1 1   18   34    6 o   58.130   21.914   48.212   43.358   48.212   43.358   0.0000   0.0000   58.130   21.914  ?   ?  0.000000 21.91408 
1 1 1   18   34    7 o   57.940   21.548   47.528   41.645   49.029   43.396   30.056  148.089   58.707   21.964   69.423   32.753 -10.71554 39.43607 
1 1 1   18   34    8 o  139.663   19.966  288.659   67.651  300.495   74.491  232.934  161.625  140.326   21.979   94.090   39.827 46.23680 45.48941 
1 1 1   18   34    9 o   52.629   20.565   33.250   39.143   30.868   40.640   63.793  145.530   52.188   20.779   73.994   34.079 -21.80555 39.91418 
1 1 1   18   34   10 o   80.144   22.478  100.248   46.810  113.071   49.527  -7.0758  143.286   84.913   22.853   67.380   31.918 17.53265 39.25597 
1 1 1   18   34   11 o   87.362   37.660  158.452  149.314   0.0000   0.0000  158.452  149.314  ?   ?    87.362   37.660 0.000000 37.65994 
1 1 1   18   34   12 o  131.792   13.350  233.477   43.329  245.678   45.182   93.866  152.842  135.055   13.581   79.802   36.040 55.25304 38.51383 
1 1 1   18   34   13 o  123.042   13.100  202.880   39.633  196.684   40.965  293.521  156.683  120.661   13.846  110.707   41.673 9.954376 43.91352 
1 1 1   18   34   14 o   75.345   15.717   79.505   28.615   82.571   29.200   5.1497  143.787   76.803   15.753   70.307   32.886 6.495842 36.46423 
1 1 1   18   34   15 o   41.804   18.200   1.9246   35.574   1.9246   35.574   0.0000   0.0000   41.804   18.200  ?   ?  0.000000 18.20040 
1 1 1   18   34   16 o   95.083   14.016  122.612   32.282  126.516   33.105   46.961  145.745   96.538   14.152   75.538   34.535 20.99973 37.32248 
1 1 1   18   34   17 o   72.953   18.925   77.272   34.771   63.964   35.780  303.249  147.436   66.247   19.972  117.596   40.941 -51.34913 45.55242 
1 1 1   18   34   18 o  101.097   13.794  137.827   33.916  143.179   34.858   42.763  146.917  103.008   13.907   75.637   34.615 27.37077 37.30403 
1 1 1   18   34   19 o   32.646   13.705   3.9706   18.886   3.6103   19.059   23.539  140.454   32.616   13.734   72.847   33.524 -40.23123 36.22848 
1 1 1   18   34   20 o   34.831   14.281   7.4058   19.840   5.0576   20.035  126.710  142.804   33.925   14.170   86.409   37.032 -52.48412 39.65044 
1 1 1   18   34   21 o   60.606   15.930   51.510   24.426   42.144   24.749  403.503  151.719   55.047   16.614  140.171   40.845 -85.12389 44.09489 
1 1 1   18   34   22 o   97.925   13.504  128.887   32.145  125.600   32.893  198.652  151.524   96.358   14.086   97.775   39.705 -1.416756 42.12941 
1 1 1   18   34   23 o   94.578   13.674  120.568   31.357  126.182   32.035  -7.9725  153.285   96.812   13.628   71.670   33.660 25.14239 36.31443 
1 1 1   18   34   24 o  108.125   20.737  170.418   53.956  170.418   53.956   0.0000   0.0000  108.125   20.737  ?   ?  0.000000 20.73744 
1 1 1   18   34   25 o   56.283   15.674   44.202   22.845   42.327   23.086  132.368  158.289   55.124   15.896   87.502   38.236 -32.37732 41.40845 
1 1 1   18   34   26 o   62.769   15.345   55.055   23.851   52.373   24.130  169.203  157.418   61.108   15.722   92.295   39.199 -31.18715 42.23473 
1 1 1   18   34   27 o   76.521   35.329   43.011  157.795   0.0000   0.0000   43.011  157.795  ?   ?    76.521   35.329 0.000000 35.32920 
1 1 1   18   35    0 o   53.027   21.166   45.890   42.268   45.890   42.268   0.0000   0.0000   53.027   21.166  ?   ?  0.000000 21.16643 
1 1 1   18   35    1 o   93.535   23.647  159.454   55.265  166.108   57.726   86.366  191.316   94.590   24.307   63.633   31.573 30.95633 39.84617 
1 1 1   18   35    2 o   30.300   14.636 -38.2664   33.485 -40.5141   34.108   21.583  176.003   30.298   14.668   61.705   30.558 -31.40686 33.89575 
1 1 1   18   35    3 o   33.340   15.782 -25.9730   34.905 -22.8018   35.662 -98.2804  170.292   34.326   16.157   56.813   28.438 -22.48703 32.70765 
1 1 1   18   35    4 o   81.173   24.953  120.372   55.486  120.372   55.486   0.0000   0.0000   81.173   24.953  ?   ?  0.000000 24.95301 
1 1 1   18   35    5 o   44.433   18.893   15.433   36.646   4.4197   37.602  223.903  163.598   41.725   18.420   82.558   37.285 -40.83290 41.58733 
1 1 1   18   35    6 o   50.727   20.270   32.201   38.806   30.791   40.008   54.593  159.470   50.528   20.443   68.208   32.686 -17.68074 38.55219 
1 1 1   18   35    7 o   60.575   22.058   56.922   43.259   56.922   43.259   0.0000   0.0000   60.575   22.058  ?   ?  0.000000 22.05766 
1 1 1   18   35    8 o  171.727   22.235  462.782   93.112  629.677  107.332 -44.8750  187.195  201.376   21.686   65.629   32.314 135.7468 38.91650 
1 1 1   18   35    9 o   77.322   22.440   96.682   45.876  100.058   48.092   62.559  152.884   78.182   23.058   71.381   33.554 6.801712 40.71280 
1 1 1   18   35   10 o   73.733   22.372   87.055   44.790   89.458   46.793   60.780  154.757   74.367   22.924   72.109   33.852 2.257614 40.88374 
1 1 1   18   35   11 o   41.210   17.941   4.0196   34.564  -5.2168   35.546  164.338  148.091   39.228   17.576   84.461   36.943 -45.23307 40.91132 
1 1 1   18   35   12 o   56.421   27.912 -149.4963  145.452   0.0000   0.0000 -149.4963  145.452  ?   ?    56.421   27.912 0.000000 27.91211 
1 1 1   18   35   13 o   40.146   15.570   16.713   22.309   16.235   22.561   37.728  149.691   40.032   15.621   71.398   33.446 -31.36656 36.91453 
1 1 1   18   35   14 o   55.571   16.614   44.086   24.838   46.301   25.181 -35.5093  150.958   56.842   16.662   65.649   31.550 -8.806995 35.67925 
1 1 1   18   35   15 o   70.814   16.101   71.464   27.827   73.707   28.317   8.2854  150.265   71.911   16.162   69.585   32.880 2.325409 36.63727 
1 1 1   18   35   16 o   48.544   19.539   23.420   36.345   23.420   36.345   0.0000   0.0000   48.544   19.539  ?   ?  0.000000 19.53908 
1 1 1   18   35   17 o   27.055   12.212  -7.2212   17.520  -8.5630   17.645   86.589  147.539   26.709   12.135   78.063   35.318 -51.35386 37.34442 
1 1 1   18   35   18 o   59.494   16.217   50.366   24.752   52.833   25.093 -38.6120  150.687   60.909   16.212   66.463   31.829 -5.554028 35.71999 
1 1 1   18   35   19 o   31.083   13.351   1.0252   18.634  -2.1635   18.780  203.283  149.573   29.947   13.126   94.923   39.099 -64.97628 41.24361 
1 1 1   18   35   20 o   32.539   14.229  -1.5732   21.956  -5.2206   22.198  163.223  149.206   31.474   14.011   88.980   37.986 -57.50599 40.48717 
1 1 1   18   35   21 o   65.784   15.546   60.996   25.134   58.031   25.469  171.360  155.389   63.980   15.986   90.120   38.626 -26.13958 41.80344 
1 1 1   18   35   22 o   37.116   14.565   12.712   19.699   10.480   19.862  147.070  154.096   36.120   14.477   86.841   37.843 -50.72116 40.51736 
1 1 1   18   35   23 o   69.114   15.198   66.906   25.516   68.990   25.870  -7.6892  154.786   70.206   15.197   70.036   33.175 0.1706619 36.49039 
1 1 1   18   35   24 o   92.025   13.742  115.185   30.613  115.185   30.613   0.0000   0.0000   92.025   13.742  ?   ?  0.000000 13.74228 
1 1 1   18   35   25 o   78.689   14.451   85.490   27.350   89.159   27.708 -53.8087  170.721   80.468   14.313   68.326   33.014 12.14137 35.98336 
1 1 1   18   35   26 o   77.182   36.083   58.109  172.725   0.0000   0.0000   58.109  172.725  ?   ?    77.182   36.083 0.000000 36.08311 
1 1 1   18   35   27 o   86.805   38.286  155.758  162.057   0.0000   0.0000  155.758  162.057  ?   ?    86.805   38.286 0.000000 38.28572 
1 1 1   18   36    1 o   33.060   15.713 -22.2614   35.299 -22.2614   35.299   0.0000   0.0000   33.060   15.713  ?   ?  0.000000 15.71323 
1 1 1   18   36    2 o   43.619   18.785   19.450   37.081   14.403   37.767  154.749  195.548   42.417   18.602   63.204   31.453 -20.78640 36.54250 
1 1 1   18   36    3 o   37.828   17.180  -1.9469   35.319  -1.9469   35.319   0.0000   0.0000   37.828   17.180  ?   ?  0.000000 17.18022 
1 1 1   18   36    4 o   59.746   21.943   62.768   42.944   74.490   44.243 -128.1431  178.546   64.076   22.421   54.162   27.369 9.913689 35.37962 
1 1 1   18   36    5 o   68.848   33.473  147.064  182.664   0.0000   0.0000  147.064  182.664  ?   ?    68.848   33.473 0.000000 33.47275 
1 1 1   18   36    6 o   43.959   18.646   17.169   35.541   24.100   36.349 -133.5808  169.526   46.394   19.208   55.041   27.666 -8.647564 33.67974 
1 1 1   18   36    7 f   76.872   23.042  103.281   47.729  119.600   49.657 -94.6632  172.943   82.945   23.112   57.915   28.940 25.03019 37.03681 
1 1 1   18   36    8 f  121.922   21.980  241.506   64.458  284.156   68.934 -55.3114  181.852  133.081   21.474   61.394   30.517 71.68742 37.31462 
1 1 1   18   36    9 o   86.532   22.711  125.409   49.696  137.660   51.653 -27.1801  182.295   90.748   22.817   63.732   31.476 27.01648 38.87653 
1 1 1   18   36   10 o   74.386   22.524   92.260   45.436  110.827   47.362 -122.2331  160.978   81.743   22.494   57.420   28.569 24.32210 36.36205 
1 1 1   18   36   11 o   49.338   19.840   28.366   37.432   40.675   38.549 -174.9006  156.648   54.013   20.590   54.768   27.394 -0.7550430 34.26942 
1 1 1   18   36   12 o   45.341   18.758   18.670   34.634   18.457   35.518   22.787  156.182   45.586   18.939   67.222   32.249 -21.63634 37.39859 
1 1 1   18   36   13 o   81.117   37.257  165.960  172.312   0.0000   0.0000  165.960  172.312  ?   ?    81.117   37.257 0.000000 37.25679 
1 1 1   18   36   14 o   72.892   15.869   76.579   28.067   74.043   28.492  159.611  163.018   71.374   16.339   81.568   36.993 -10.19442 40.44071 
1 1 1   18   36   15 f   41.401   15.507   20.196   21.643   18.392   21.840  119.184  161.789   40.561   15.490   77.977   35.920 -37.41556 39.11779 
1 1 1   18   36   16 o   33.585   14.053   5.7046   19.756   5.4708   19.909   20.735  159.614   33.585   14.084   69.414   33.110 -35.82930 35.98057 
1 1 1   18   36   17 o   79.460   21.852   99.400   44.713   99.400   44.713   0.0000   0.0000   79.460   21.852  ?   ?  0.000000 21.85248 
1 1 1   18   36   18 o   34.916   14.234   8.8299   19.568   7.3056   19.719  106.966  158.218   34.316   14.172   78.049   35.793 -43.73391 38.49699 
1 1 1   18   36   19 o   46.830   15.721   29.705   21.695   34.527   21.902 -221.8104  158.183   49.720   15.739   54.958   27.495 -5.238132 31.68087 
1 1 1   18   36   20 o   29.896   12.957  -0.1041   17.865  -0.2129   17.975   8.6731  161.470   29.937   12.986   69.687   33.257 -39.74992 35.70222 
1 1 1   18   36   21 f   57.861   18.747   48.668   30.938   51.797   31.541 -30.8245  158.990   59.431   18.895   66.487   32.059 -7.055771 37.21312 
1 1 1   18   36   22 o   54.371   15.755   42.062   22.629   43.106   22.844 -12.5614  165.270   54.996   15.799   68.598   32.978 -13.60190 36.56729 
1 1 1   18   36   23 o   68.103   15.000   65.532   24.821   61.382   25.089  256.318  170.117   65.613   15.550   96.768   40.905 -31.15572 43.76102 
1 1 1   18   36   24 o  106.252   12.830  152.697   33.354  148.155   33.973  273.949  175.536  104.323   13.347   98.305   41.553 6.017548 43.64359 
1 1 1   18   36   26 o   86.679   39.581  192.422  190.713   0.0000   0.0000  192.422  190.713  ?   ?    86.679   39.581 0.000000 39.58057 
1 1 1   18   37    4 o   41.848   18.270   15.706   36.065   19.844   36.709 -99.0705  193.328   43.179   18.643   52.415   26.690 -9.235531 32.55627 
1 1 1   18   37    5 o   61.560   21.901   71.153   42.356   72.195   43.483   51.821  187.262   61.714   22.165   58.711   29.450 3.003590 36.85913 
1 1 1   18   37    6 o   53.700   27.180 -107.8792  180.605   0.0000   0.0000 -107.8792  180.605  ?   ?    53.700   27.180 0.000000 27.18046 
1 1 1   18   37    7 o   44.782   18.815   22.161   35.639   24.883   36.316 -48.8800  185.506   45.815   19.102   57.229   28.789 -11.41369 34.55005 
1 1 1   18   37    8 o   95.155   22.895  159.532   53.743  182.704   56.231 -85.0443  182.683  102.677   22.548   56.672   28.517 46.00489 36.35390 
1 1 1   18   37    9 o   40.656   17.559   10.336   32.586   9.0757   33.133   47.537  180.043   40.494   17.597   63.612   31.392 -23.11789 35.98779 
1 1 1   18   37   10 o   62.919   21.752   67.239   41.585   67.239   41.585   0.0000   0.0000   62.919   21.752  ?   ?  0.000000 21.75248 
1 1 1   18   37   11 o   39.759   17.365   6.0592   32.615   8.7821   33.243 -63.8884  168.492   40.825   17.684   58.963   29.319 -18.13769 34.23904 
1 1 1   18   37   12 o   72.333   21.815   87.967   42.682   85.716   44.057  122.344  172.175   70.973   22.304   71.489   34.179 -0.5161209 40.81292 
1 1 1   18   37   13 f   98.517   21.833  158.259   52.302  174.747   54.833  -8.0436  174.143  103.659   21.871   63.763   31.351 39.89648 38.22605 
1 1 1   18   37   14 o   78.380   36.700  185.399  179.866   0.0000   0.0000  185.399  179.866  ?   ?    78.380   36.700 0.000000 36.69981 
1 1 1   18   37   15 o  107.698   13.728  161.660   36.082  162.384   36.831  144.396  179.815  107.705   14.027   75.780   35.856 31.92471 38.50193 
1 1 1   18   37   16 o   26.644   12.140  -8.2869   17.821 -10.6988   17.915  220.111  174.335   25.959   11.956   83.849   38.115 -57.88909 39.94652 
1 1 1   18   37   17 o   47.609   16.026   31.731   22.546   33.147   22.749 -46.7026  169.359   48.440   16.096   63.129   31.015 -14.68954 34.94296 
1 1 1   18   37   18 o  120.777   20.630  224.849   59.986  224.849   59.986   0.0000   0.0000  120.777   20.630  ?   ?  0.000000 20.62976 
1 1 1   18   37   19 o   43.763   15.414   25.326   20.932   24.783   21.090   61.265  171.552   43.498   15.456   71.142   34.041 -27.64400 37.38569 
1 1 1   18   37   20 o   38.194   14.713   15.748   19.815   16.087   19.950  -9.0355  170.691   38.429   14.774   66.374   32.290 -27.94587 35.50961 
1 1 1   18   37   21 o   53.719   15.809   41.741   22.629   40.121   22.817  138.947  176.724   52.722   15.961   78.116   36.513 -25.39362 39.84891 
1 1 1   18   37   22 o   72.233   19.835   80.838   36.871   85.757   37.716 -25.2514  175.155   74.377   19.912   65.961   32.225 8.415833 37.88030 
1 1 1   18   37   23 o  102.558   13.358  144.768   33.398  154.813   33.989 -136.5581  179.870  106.290   13.082   60.479   30.109 45.81067 32.82758 
1 1 1   18   37   24 f   55.519   27.966 -246.7556  178.205   0.0000   0.0000 -246.7556  178.205  ?   ?    55.519   27.966 0.000000 27.96552 
1 1 1   18   37   25 o   85.432   39.323  228.163  193.371   0.0000   0.0000  228.163  193.371  ?   ?    85.432   39.323 0.000000 39.32330 
1 1 1   18   38    8 o   69.845   22.086   92.655   43.137   90.282   44.177  141.255  199.962   68.403   22.416   61.596   30.830 6.806328 38.11773 
1 1 1   18   38    9 o   71.751   22.600   97.529   45.205  112.207   46.427 -170.3281  198.329   77.406   22.606   52.357   26.694 25.04899 34.98003 
1 1 1   18   38   10 o   88.555   22.705  142.283   50.446  157.978   52.205 -79.0109  196.026   93.870   22.552   55.844   28.272 38.02622 36.16463 
1 1 1   18   38   11 o   29.531   13.959 -20.8148   27.136 -20.8148   27.136   0.0000   0.0000   29.531   13.959  ?   ?  0.000000 13.95928 
1 1 1   18   38   12 o   84.410   21.689  123.321   45.962  120.760   47.362  164.744  190.490   82.555   22.402   68.549   33.514 14.00521 40.31204 
1 1 1   18   38   13 o   35.474   15.873  -1.4230   28.887   2.6930   29.277 -152.9413  177.630   36.846   16.261   54.182   27.369 -17.33627 31.83531 
1 1 1   18   38   14 o   72.581   21.575   90.596   41.974   94.238   43.125   25.081  182.906   73.781   21.855   62.831   31.122 10.95018 38.02910 
1 1 1   18   38   15 o   77.607   36.933  254.720  196.257   0.0000   0.0000  254.720  196.257  ?   ?    77.607   36.933 0.000000 36.93346 
1 1 1   18   38   16 o   26.380   12.056  -8.2336   17.737  -9.5299   17.821  128.406  182.957   26.042   11.968   70.289   34.014 -44.24691 36.05809 
1 1 1   18   38   17 o  127.372   13.186  226.271   41.333  228.019   42.304  189.480  194.078  127.569   13.484   74.846   35.917 52.72308 38.36485 
1 1 1   18   38   18 o   47.793   15.865   32.974   22.104   32.674   22.260   54.057  186.785   47.627   15.925   66.908   32.811 -19.28110 36.47124 
1 1 1   18   38   19 o   66.047   20.609   71.176   37.689   71.176   37.689   0.0000   0.0000   66.047   20.609  ?   ?  0.000000 20.60907 
1 1 1   18   38   20 o   80.629   14.634   93.364   28.379   96.166   28.700 -29.9138  190.382   81.905   14.566   63.359   31.447 18.54598 34.65678 
1 1 1   18   38   21 o   51.657   15.591   39.152   21.797   39.488   21.945   14.539  187.901   51.851   15.643   65.681   32.347 -13.83027 35.93090 
1 1 1   18   38   22 o   46.101   15.429   30.011   20.895   28.147   21.014  192.869  196.440   45.017   15.469   77.121   36.771 -32.10408 39.89195 
1 1 1   18   38   23 o   85.136   39.450  294.420  199.397   0.0000   0.0000  294.420  199.397  ?   ?    85.136   39.450 0.000000 39.44956 
1 1 1   18   38   24 o   74.666   36.072  159.947  203.622   0.0000   0.0000  159.947  203.622  ?   ?    74.666   36.072 0.000000 36.07210 
1 1 1   18   39   15 o   67.621   21.045   81.262   39.329   74.972   40.113  237.513  199.933   64.569   21.369   69.413   34.020 -4.843414 40.17495 
1 1 1   18   39   16 o   74.271   21.765   98.587   42.971  103.586   43.987  -5.9207  201.128   76.015   21.948   59.262   29.833 16.75331 37.03637 
1 1 1   18   39   17 o  102.825   13.788  152.360   34.512  151.868   35.030  168.578  201.282  102.384   14.073   67.508   33.292 34.87589 36.14411 
1 1 1   18   39   18 o   56.766   16.136   49.682   23.954   45.136   24.122  373.076  203.436   54.027   16.423   81.050   38.284 -27.02273 41.65841 
1 1 1   18   39   19 f   56.187   15.870   48.262   23.248   46.351   23.404  189.857  201.465   54.990   16.048   69.945   34.254 -14.95527 37.82630 
1 1 1   19  -22    0 o   76.085   25.712   88.628   58.037  295.561  153.348   54.032   62.701  116.698   41.655   65.543   25.900 51.15503 49.05031 
1 1 1   19  -22    1 o   70.469   25.532   73.498   57.856  198.517  154.033   52.963   62.427   97.071   39.795   64.812   25.770 32.25840 47.40981 
1 1 1   19  -21    0 o   57.440   23.020   33.231   50.211   93.972  143.471   24.753   53.600   84.877   36.751   56.080   23.280 28.79750 43.50406 
1 1 1   19  -21    1 o   47.553   21.102  -3.8359   49.966 -82.9197  137.757   8.1446   53.618   63.605   30.453   51.727   22.432 11.87770 37.82322 
1 1 1   19  -21    2 o  102.996   25.968  165.597   66.772  122.121  154.264  175.620   74.071   87.548   38.008  104.538   27.867 -16.99003 47.12928 
1 1 1   19  -21    3 o   51.241   22.240   9.3422   52.787 -65.7917  144.433   20.925   56.710   65.200   31.208   55.304   23.509 9.895763 39.07161 
1 1 1   19  -20    0 o   57.110   23.028   29.739   50.579 -18.4302  134.691   37.647   54.573   71.196   32.788   60.618   24.097 10.57754 40.69068 
1 1 1   19  -20    1 o   43.433   19.700 -16.8838   46.247  173.793  137.909 -41.0429   49.089   99.574   38.686   40.437   19.010 59.13763 43.10468 
1 1 1   19  -20    2 o   64.725   24.302   53.708   53.214   81.911  139.027   48.867   57.600   83.169   36.095   64.079   24.972 19.08951 43.89118 
1 1 1   19  -20    3 o   47.636   21.174  -4.8515   50.515  183.676  137.590 -34.2233   54.308   99.087   38.601   43.775   20.387 55.31203 43.65441 
1 1 1   19  -20    4 o   69.461   25.376   68.437   57.320  170.665  146.316   49.903   62.300   95.195   38.878   64.633   25.729 30.56168 46.62038 
1 1 1   19  -20    5 o   65.080   25.004   55.995   57.123 -28.6814  146.916   71.076   62.001   69.040   32.588   70.303   26.264 -1.263206 41.85395 
1 1 1   19  -20    6 o   88.844   38.244  148.667  153.530  148.667  153.530   0.0000   0.0000   88.844   38.244  ?   ?  0.000000 38.24366 
1 1 1   19  -19    0 o   46.830   18.364   19.679   31.299   34.009   53.062   12.032   38.761   59.749   23.758   47.593   19.780 12.15554 30.91391 
1 1 1   19  -19    1 o   84.218   17.311   97.268   35.189  102.512   59.619   94.465   43.593   83.670   25.890   81.552   21.207 2.118591 33.46660 
1 1 1   19  -19    2 o   61.145   23.787   41.074   52.189 -94.1561  130.786   66.685   56.916   62.974   30.019   70.411   25.351 -7.436821 39.29169 
1 1 1   19  -19    3 o   42.017   19.401 -27.9082   47.608 -13.1396  129.868 -30.2011   51.171   70.446   32.351   43.363   20.055 27.08313 38.06313 
1 1 1   19  -19    4 o   65.214   24.605   54.097   54.687  -5.3917  136.658   65.440   59.673   71.957   33.097   69.627   25.814 2.329552 41.97372 
1 1 1   19  -19    5 o   49.433   21.608   2.7843   50.592   78.125  140.228  -8.4902   54.246   82.059   35.920   48.495   21.721 33.56389 41.97660 
1 1 1   19  -19    6 o   66.710   25.024   60.102   56.402  139.816  141.725   45.101   61.480   90.323   37.704   63.230   25.426 27.09343 45.47611 
1 1 1   19  -19    7 f   86.835   26.732  120.209   63.655 -131.5847  143.172  182.245   71.065   60.192   29.347  107.279   26.647 -47.08778 39.63937 
1 1 1   19  -19    8 o   78.171   35.419   66.685  149.028   66.685  149.028   0.0000   0.0000   78.171   35.419  ?   ?  0.000000 35.41912 
1 1 1   19  -18    0 o  172.652   12.126  383.228   51.948  373.844   81.374  389.683   67.490  166.534   19.965  172.376   15.857 -5.842361 25.49598 
1 1 1   19  -18    1 o   76.382   18.095   80.029   33.984   98.437   56.101   69.358   42.712   83.126   24.996   70.995   21.905 12.13094 33.23592 
1 1 1   19  -18    2 o  180.647   12.053  420.837   54.059  367.800   84.467  457.631   70.354  163.548   21.180  186.684   15.224 -23.13675 26.08336 
1 1 1   19  -18    3 o  127.263   13.270  211.798   41.553  200.299   67.778  218.722   52.597  118.178   23.790  127.612   16.922 -9.433830 29.19484 
1 1 1   19  -18    4 o   60.322   23.657   38.408   51.944   64.421  135.535   33.929   56.238   82.596   35.742   60.247   24.285 22.34885 43.21188 
1 1 1   19  -18    5 o   77.451   25.423   87.527   56.816  127.998  134.600   78.753   62.673   91.723   37.355   74.728   26.634 16.99512 45.87761 
1 1 1   19  -18    6 o   83.695   26.060  106.073   60.300   5.4616  142.598  127.982   66.543   74.332   34.049   90.991   27.192 -16.65909 43.57467 
1 1 1   19  -18    7 o  142.018   23.063  293.953   78.984   56.939  156.103  375.511   91.571   81.184   36.565  160.275   23.584 -79.09127 43.51136 
1 1 1   19  -18    8 o   67.376   25.372   61.433   58.090 -133.7313  142.139  100.567   63.648   60.412   29.407   80.529   26.928 -20.11734 39.87335 
1 1 1   19  -18    9 o   54.819   23.378   18.866   56.411 -133.5470  144.182   46.414   61.298   60.250   29.391   63.123   25.386 -2.873470 38.83710 
1 1 1   19  -18   10 o   67.764   25.507   65.642   58.694 -113.2215  149.594   98.186   63.810   61.958   30.162   78.430   26.955 -16.47150 40.45112 
1 1 1   19  -17    0 o   34.385   15.615 -15.6108   29.167 -48.5472   48.513   3.0335   36.500   39.815   18.773   44.230   18.832 -4.414551 26.59099 
1 1 1   19  -17    1 o   77.864   17.857   82.273   33.982   26.184   55.562  115.793   42.953   59.218   24.045   92.209   19.274 -32.99067 30.81636 
1 1 1   19  -17    2 o  141.557   12.603  258.578   44.086  204.533   69.966  294.163   56.774  120.715   24.055  149.911   15.384 -29.19646 28.55322 
1 1 1   19  -17    3 o   73.330   18.177   73.716   33.118  143.875   55.700   35.352   41.189  101.144   22.620   56.852   21.373 44.29223 31.12046 
1 1 1   19  -17    4 o  127.350   13.098  211.174   41.059  207.321   66.861  213.507   52.023  121.365   22.901  126.392   16.906 -5.026283 28.46514 
1 1 1   19  -17    5 f  126.846   13.279  210.334   41.438  192.551   66.822  221.445   52.820  115.830   23.895  128.489   16.870 -12.65870 29.24990 
1 1 1   19  -17    6 o  192.487   20.151  509.345   95.425  263.297  167.641  627.279  116.062  117.590   43.330  211.673   22.292 -94.08353 48.72830 
1 1 1   19  -17    7 o   94.183   25.460  133.043   61.311  117.979  137.136  136.806   68.543   90.195   37.322   94.472   27.432 -4.277260 46.31915 
1 1 1   19  -17    8 o   53.030   22.443   15.309   51.306   17.741  131.318   14.871   55.736   73.808   33.363   54.521   23.244 19.28704 40.66159 
1 1 1   19  -17    9 o   53.581   22.678   16.976   52.391   32.981  135.725   14.173   56.793   75.566   34.060   54.429   23.341 21.13684 41.28980 
1 1 1   19  -17   10 o   73.351   25.831   79.663   58.779   92.337  144.436   77.147   64.349   83.323   36.464   72.874   26.847 10.44946 45.28102 
1 1 1   19  -17   11 o  109.671   29.217  199.138   81.456   0.0000   0.0000  199.138   81.456  ?   ?   109.671   29.217 0.000000 29.21724 
1 1 1   19  -16    0 o   62.775   21.501   48.723   40.588   64.367   54.145   28.657   61.322   71.650   24.818   62.532   25.306 9.117634 35.44446 
1 1 1   19  -16    1 o   64.866   22.100   52.849   42.880   34.289   59.640   72.710   61.694   63.333   25.186   75.681   26.476 -12.34835 36.54175 
1 1 1   19  -16    2 o  101.435   16.077  135.901   39.366  130.112   66.909  138.967   48.684   95.844   26.872  101.232   19.968 -5.388130 33.47845 
1 1 1   19  -16    3 o   73.395   17.986   73.131   32.708   53.501   54.337   84.286   40.960   67.306   24.689   78.301   20.651 -10.99538 32.18713 
1 1 1   19  -16    4 o   36.975   16.168  -4.1680   28.348 -24.0641   47.804   6.6235   35.207   43.645   19.886   44.483   18.695 -0.8376617 27.29399 
1 1 1   19  -16    5 o   37.896   16.469  -2.3930   29.025 -20.1345   48.846   7.2907   36.087   44.833   20.299   45.041   18.929 -0.2082024 27.75508 
1 1 1   19  -16    6 o   91.539   16.013  112.495   35.271   94.520   58.060  123.008   44.403   81.402   25.609   94.405   19.481 -13.00301 32.17647 
1 1 1   19  -16    7 f   74.994   18.070   77.771   33.441   45.168   54.875   97.033   42.178   63.538   24.482   83.039   20.471 -19.50068 31.91257 
1 1 1   19  -16    8 o   35.733   15.915  -7.9621   28.682 -35.7904   47.506   8.0004   35.979   40.728   19.001   44.771   18.862 -4.043369 26.77369 
1 1 1   19  -16    9 o   93.289   25.593  130.880   61.419 -13.5792  137.767  166.715   68.616   72.065   33.178  105.039   26.236 -32.97476 42.29818 
1 1 1   19  -16   10 o   82.034   26.038  101.696   59.912 -56.8577  138.640  138.105   66.436   67.052   31.652   94.532   26.873 -27.47931 41.52089 
1 1 1   19  -16   11 o   97.096   26.132  145.970   64.760   43.301  145.765  171.218   72.286   78.092   35.238  104.369   27.390 -26.27749 44.63125 
1 1 1   19  -16   12 o   64.548   25.375   51.463   59.895  159.805  159.394   33.650   64.631   93.156   39.498   60.943   25.453 32.21353 46.98886 
1 1 1   19  -16   13 o   60.453   24.517   40.206   57.696   81.984  156.459   33.631   62.070   81.227   36.594   59.805   24.957 21.42215 44.29429 
1 1 1   19  -15    0 o  187.303   11.587  445.571   53.929  479.358   83.799  421.685   70.458  192.217   17.655  180.897   15.755 11.31992 23.66258 
1 1 1   19  -15    1 o  160.068   12.057  326.647   47.839  322.156   74.380  329.816   62.475  156.429   19.462  159.657   15.881 -3.227905 25.11896 
1 1 1   19  -15    2 o  147.491   12.332  278.191   45.005  242.601   70.652  302.492   58.382  134.319   21.812  152.825   15.513 -18.50612 26.76618 
1 1 1   19  -15    3 o   42.880   18.726  -5.0123   37.912 -28.5525   53.973   17.916   53.266   46.317   21.114   56.534   23.315 -10.21705 31.45442 
1 1 1   19  -15    4 o  121.946   17.300  196.469   51.207  209.982   72.770  183.216   72.069  123.014   24.549  114.142   25.881 8.872467 35.67171 
1 1 1   19  -15    5 o   71.390   18.078   69.168   32.263   61.219   53.516   73.706   40.437   69.827   24.641   73.443   20.996 -3.616463 32.37288 
1 1 1   19  -15    6 o   63.284   18.776   53.871   31.810   21.550   53.023   72.044   39.760   56.878   23.336   72.461   20.851 -15.58271 31.29444 
1 1 1   19  -15    7 o   69.566   18.409   66.306   32.477   56.279   53.732   72.077   40.766   67.558   24.586   72.251   21.207 -4.692986 32.46827 
1 1 1   19  -15    8 o   47.778   18.069   23.579   29.536 -31.9055   49.749   53.784   36.706   42.870   19.808   63.328   20.410 -20.45827 28.44184 
1 1 1   19  -15    9 o   73.057   18.182   73.950   33.038   95.830   55.216   61.748   41.233   81.403   24.870   67.099   21.633 14.30422 32.96247 
1 1 1   19  -15   10 o  121.136   14.823  194.982   43.904  183.260   78.169  200.383   53.064  109.285   28.388  121.115   18.100 -11.83054 33.66738 
1 1 1   19  -15   11 o   66.890   31.215 -41.4298  128.345 -41.4298  128.345   0.0000   0.0000   66.890   31.215  ?   ?  0.000000 31.21542 
1 1 1   19  -15   12 o   44.961   20.323 -14.5299   48.724 -52.6093  131.662  -8.4873   52.448   65.794   30.993   47.880   21.408 17.91403 37.66778 
1 1 1   19  -15   13 o   68.496   25.797   63.524   60.057   2.8913  155.077   74.222   65.140   74.725   34.683   72.347   26.941 2.377617 43.91777 
1 1 1   19  -15   14 o   57.833   24.097   29.017   57.733   23.256  149.096   30.033   62.618   74.841   34.478   59.410   24.949 15.43127 42.55837 
1 1 1   19  -15   15 o   97.530   26.869  154.095   67.528  503.689  166.529   85.297   73.875  155.222   41.960   74.705   28.498 80.51727 50.72235 
1 1 1   19  -14    0 o   38.260   16.598  -3.5087   29.376 -13.5877   49.312   2.0361   36.575   47.389   20.999   44.418   18.881 2.970249 28.23885 
1 1 1   19  -14    1 o   94.511   15.626  116.814   35.591  105.741   57.482  123.699   45.324   88.250   24.965   96.275   19.520 -8.024467 31.69048 
1 1 1   19  -14    2 o   99.908   15.115  130.056   36.531  122.997   58.015  134.694   47.025   94.781   24.374  100.476   19.445 -5.695763 31.18030 
1 1 1   19  -14    3 o  203.781   11.638  527.498   58.976  505.779   89.950  543.874   78.108  196.986   18.503  205.664   15.318 -8.678329 24.02086 
1 1 1   19  -14    4 o   78.298   17.496   82.118   33.347  100.466   54.635   71.225   42.099   85.606   24.381   72.897   21.593 12.70866 32.56863 
1 1 1   19  -14    5 o   56.426   18.907   39.614   31.378   63.728   51.372   25.264   39.629   70.817   24.190   53.253   20.724 17.56479 31.85340 
1 1 1   19  -14    6 o   54.357   20.718   29.278   39.023   69.363   56.056  -8.4136   54.356   73.427   25.262   50.440   22.214 22.98665 33.63982 
1 1 1   19  -14    7 o  140.854   13.170  256.093   45.787  175.924   78.128  298.031   56.507  110.349   28.236  151.270   15.163 -40.92111 32.04980 
1 1 1   19  -14    8 o   94.980   15.243  119.460   34.931  201.544   58.490   73.952   43.551  121.906   19.900   73.377   22.014 48.52818 29.67577 
1 1 1   19  -14    9 o  101.116   14.815  135.131   36.298   76.799   58.911  170.830   46.086   75.375   25.900  113.081   16.834 -37.70559 30.88974 
1 1 1   19  -14   10 o   60.530   20.683   47.406   37.558   25.357  124.503   49.613   39.394   76.488   33.654   61.820   21.182 14.66774 39.76527 
1 1 1   19  -14   11 o   92.064   16.221  114.645   35.930   91.069   57.471  129.772   46.035   79.451   25.532   96.461   19.775 -17.01012 32.29459 
1 1 1   19  -14   12 o  112.139   13.969  166.493   38.269  137.859   59.755  186.405   49.829   96.489   24.696  116.903   17.616 -20.41441 30.33502 
1 1 1   19  -14   13 o   78.902   25.624   92.344   57.776  179.632  137.876   73.753   63.632  100.478   38.781   72.906   26.721 27.57185 47.09526 
1 1 1   19  -14   14 o   56.526   23.644   23.638   55.895   34.506  150.702   21.905   60.188   78.149   35.491   57.450   24.310 20.69906 43.01843 
1 1 1   19  -14   15 o  100.855   25.963  158.084   65.776  100.843  154.682  170.720   72.674   85.378   37.540  103.588   27.598 -18.20995 46.59261 
1 1 1   19  -14   16 o   51.109   22.561   2.7597   56.396   13.976  153.089   0.9985   60.663   73.868   34.344   52.264   23.219 21.60331 41.45629 
1 1 1   19  -14   17 o  129.161   24.731  258.269   76.861  537.619  174.157  190.699   85.654  156.970   43.110  104.183   30.785 52.78728 52.97358 
1 1 1   19  -13    0 o  126.412   13.280  204.320   41.295  185.012   65.289  217.194   53.313  117.541   23.067  129.477   16.891 -11.93597 28.59019 
1 1 1   19  -13    1 o  224.874   11.517  639.667   64.459  583.406   96.581  684.856   86.557  212.596   18.373  231.663   15.044 -19.06697 23.74602 
1 1 1   19  -13    2 o  151.679   12.014  292.489   45.135  261.394   70.231  314.367   58.911  140.893   20.567  156.449   15.274 -15.55646 25.61846 
1 1 1   19  -13    3 o  196.746   11.565  490.721   56.569  463.400   85.862  511.676   75.195  188.988   18.428  199.846   15.181 -10.85857 23.87576 
1 1 1   19  -13    4 o   71.389   18.477   68.143   33.193   5.9112   53.928  106.099   42.116   54.113   22.961   88.953   19.498 -34.84072 30.12265 
1 1 1   19  -13    5 o  137.103   12.575  240.465   42.574  209.254   67.627  260.957   54.796  124.545   22.576  141.951   15.722 -17.40680 27.51076 
1 1 1   19  -13    6 o   73.211   18.020   72.032   32.722   71.098   53.754   72.583   41.245   74.159   24.747   73.462   21.265 0.6973572 32.62813 
1 1 1   19  -13    7 o  109.008   13.976  154.250   37.168  121.062   59.265  175.768   47.720   93.252   24.957  115.472   17.063 -22.21995 30.23266 
1 1 1   19  -13    8 o   90.264   20.297  111.254   44.641   72.886   64.885  145.738   61.513   76.037   27.100  102.083   24.452 -26.04560 36.50129 
1 1 1   19  -13    9 o  125.329   17.477  208.497   53.211  205.906   81.459  210.426   70.276  119.600   27.802  123.040   23.732 -3.440186 36.55384 
1 1 1   19  -13   10 o  228.917   18.087  693.704  102.552  693.704  102.552   0.0000   0.0000  228.917   18.087  ?   ?  0.000000 18.08707 
1 1 1   19  -13   11 o   63.294   18.522   54.473   31.139   88.450   51.152   34.468   39.250   79.151   23.884   55.802   20.887 23.34947 31.72829 
1 1 1   19  -13   12 o   65.724   18.681   59.513   32.108   58.010   52.112   60.433   40.765   67.253   24.252   66.584   21.514 0.6695557 32.41961 
1 1 1   19  -13   13 o   93.296   15.590  117.224   35.040  131.995   55.537  107.455   45.164   95.307   23.486   86.932   21.033 8.375175 31.52784 
1 1 1   19  -13   14 o  137.810   12.752  248.529   43.388  209.937   67.321  275.948   56.745  120.468   23.220  143.377   16.129 -22.90833 28.27223 
1 1 1   19  -13   15 o  121.561   23.975  217.535   70.191  251.772  157.979  209.114   78.350  112.293   41.928  116.409   27.407 -4.116554 50.09107 
1 1 1   19  -13   16 o  129.374   23.218  245.728   72.255  318.088  160.959  227.466   80.861  122.900   42.778  120.783   27.434 2.116615 50.81896 
1 1 1   19  -13   17 o  132.164   24.025  261.793   76.371  389.561  170.740  229.837   85.389  132.231   44.103  118.942   29.008 13.28883 52.78814 
1 1 1   19  -13   18 o   77.919   27.135   96.424   64.768   24.057  157.452  111.163   71.058   74.613   34.737   82.326   28.436 -7.712173 44.89200 
1 1 1   19  -13   19 o   76.725   27.377   96.043   66.234   50.612  165.220  104.743   72.298   76.076   35.474   79.117   28.561 -3.040894 45.54214 
1 1 1   19  -12    0 f  156.202   16.838  313.926   64.643  573.002  127.483  224.258   74.999  208.524   24.979  129.618   24.057 78.90556 34.67958 
1 1 1   19  -12    1 f  341.836   18.313  1497.76  155.755  1764.98  238.430  1298.84  205.715  366.306   26.239  313.834   26.497 52.47235 37.29049 
1 1 1   19  -12    2 o  315.780   18.341  1280.16  144.009  1363.77  220.853  1218.32  189.944  320.353   27.885  304.358   25.219 15.99454 37.59748 
1 1 1   19  -12    3 o  308.206   12.368  1200.26   95.188  1216.79  139.549  1185.88  130.173  307.690   18.243  304.225   17.205 3.465515 25.07660 
1 1 1   19  -12    4 o  275.708   11.902  960.298   81.945  953.333  121.301  966.145  111.140  272.153   17.949  274.711   16.274 -2.557892 24.22816 
1 1 1   19  -12    5 o  155.592   11.834  307.734   45.633  308.656   71.011  307.086   59.559  153.763   18.891  154.409   15.663 -0.6454468 24.53993 
1 1 1   19  -12    6 o   42.784   17.487   9.3971   29.632 -10.8514   49.729   20.544   36.897   48.101   21.212   50.646   19.914 -2.545258 29.09517 
1 1 1   19  -12    7 o   98.042   14.922  125.412   35.380   93.848   57.119  145.061   45.067   83.298   25.261  104.716   17.876 -21.41785 30.94657 
1 1 1   19  -12    8 o   98.044   14.888  125.649   35.305  138.704   57.212  117.621   44.867  100.469   23.262   93.342   19.859 7.127075 30.58603 
1 1 1   19  -12    9 o  156.945   14.399  318.099   55.803  200.699  135.093  342.252   61.275  115.686   39.228  162.508   15.279 -46.82205 42.09848 
1 1 1   19  -12   10 o  416.426   21.519  2311.76  223.007  2169.29  315.268  2454.43  315.491  387.456   32.895  416.021   30.583 -28.56494 44.91541 
1 1 1   19  -12   11 o  131.514   16.322  227.946   52.453  224.115   75.985  231.433   72.497  126.217   24.992  129.205   23.328 -2.988205 34.18760 
1 1 1   19  -12   12 o  192.960   11.635  477.526   55.800  393.298   85.610  539.738   73.576  170.339   20.540  203.697   14.560 -33.35771 25.17769 
1 1 1   19  -12   13 o   53.930   18.831   35.904   31.202   37.756   50.969   34.794   39.460   60.418   23.506   55.884   20.937 4.533302 31.47880 
1 1 1   19  -12   14 o  168.819   12.019  368.634   50.336  369.158   77.762  368.256   66.039  164.604   19.284  166.495   16.084 -1.891220 25.11068 
1 1 1   19  -12   15 f  108.753   14.301  157.065   37.897  186.200   58.972  136.567   49.463  114.716   21.372   98.166   20.823 16.55086 29.83911 
1 1 1   19  -12   16 o  160.555   12.364  336.293   49.192  328.390   75.756  342.056   64.684  153.335   20.282  159.339   16.495 -6.004242 26.14327 
1 1 1   19  -12   17 o   69.857   25.717   67.149   59.031  215.906  149.064   39.482   64.287  105.403   40.416   62.941   25.745 42.46174 47.91951 
1 1 1   19  -12   18 o  130.685   23.774  253.833   74.726  336.851  162.541  231.584   84.146  124.999   43.017  120.481   28.427 4.518257 51.56137 
1 1 1   19  -12   19 o   72.860   26.759   79.446   63.862  260.311  161.873   46.106   69.500  107.289   41.849   64.508   26.621 42.78087 49.59859 
1 1 1   19  -12   20 o   73.413   26.921   84.099   64.599   54.750  155.593   90.212   71.008   76.403   35.207   75.345   28.115 1.057541 45.05473 
1 1 1   19  -12   21 o  100.084   26.963  168.368   68.902  209.974  165.676  159.667   75.765   92.474   39.766   94.959   29.153 -2.484497 49.30782 
1 1 1   19  -11    0 o  212.091   11.188  567.627   59.044  567.112   88.260  568.045   79.437  210.579   16.927  211.246   15.159 -0.6673431 22.72298 
1 1 1   19  -11    1 o  198.421   11.230  497.163   55.418  530.000   82.876  470.605   74.532  203.617   16.439  192.001   15.682 11.61569 22.71933 
1 1 1   19  -11    2 o  125.566   12.766  201.008   39.472  162.483   60.900  228.915   51.833  110.262   22.868  133.382   15.874 -23.11972 27.83719 
1 1 1   19  -11    3 o  113.850   20.509  171.269   56.163  186.870  115.490  166.437   64.274  116.380   36.037  111.295   23.844 5.085518 43.21168 
1 1 1   19  -11    4 o  294.293   17.581  1109.71  128.615  1243.52  200.205  1015.67  167.826  306.841   26.385  278.237   24.401 28.60455 35.93832 
1 1 1   19  -11    5 o  176.669   17.405  402.484   75.789  455.375  134.935  378.109   91.604  182.409   30.714  169.529   22.169 12.88022 37.87909 
1 1 1   19  -11    6 o  109.477   14.010  154.440   37.422  151.202   59.285  156.585   48.250  105.831   23.083  109.095   18.363 -3.263397 29.49593 
1 1 1   19  -11    7 o  156.757   11.861  312.402   46.086  302.816   71.962  319.067   60.005  152.079   19.390  157.463   15.460 -5.383514 24.79866 
1 1 1   19  -11    8 o  149.106   15.701  287.224   57.585   0.0000   0.0000  287.224   57.585  ?   ?   149.106   15.701 0.000000 15.70134 
1 1 1   19  -11    9 o   68.104   24.065   55.755   51.058   55.755   51.058   0.0000   0.0000   68.104   24.065  ?   ?  0.000000 24.06497 
1 1 1   19  -11   10 o   70.364   17.917   66.596   31.567   90.721   51.557   52.128   39.926   81.502   23.828   64.077   21.325 17.42542 31.97672 
1 1 1   19  -11   11 o  233.373   11.499  691.986   67.016  713.297  101.300  675.401   89.366  233.734   17.482  228.341   15.769 5.393509 23.54338 
1 1 1   19  -11   12 o  312.750   13.223  1252.98  103.275  1186.05  150.992  1311.82  141.568  298.577   20.373  316.177   18.005 -17.59998 27.18847 
1 1 1   19  -11   13 o   86.626   19.862  103.349   42.048   91.841   60.406  114.167   58.567   81.177   26.185   89.528   25.155 -8.351204 36.31020 
1 1 1   19  -11   14 o   48.822   18.245   25.450   29.925   12.196   48.231   33.745   38.157   52.047   21.879   55.179   20.605 -3.131447 30.05417 
1 1 1   19  -11   15 o  268.667   12.322  929.581   82.669  961.787  123.148  903.161  111.536  267.679   18.537  260.590   17.237 7.089508 25.31305 
1 1 1   19  -11   16 o   81.208   17.278   90.770   33.962   99.581   52.910   84.595   44.291   82.659   24.131   76.937   21.966 5.721848 32.63112 
1 1 1   19  -11   17 o  148.735   12.291  288.318   45.243  236.599   68.245  328.874   60.432  128.923   21.986  156.958   15.626 -28.03580 26.97355 
1 1 1   19  -11   18 o   60.471   21.800   47.397   42.102  124.715  137.359   39.380   44.231   89.954   37.298   57.977   22.067 31.97679 43.33678 
1 1 1   19  -11   19 o  241.976   19.704  817.589  118.029  920.429  202.613  764.765  145.212  230.526   36.405  225.073   26.334 5.452988 44.93088 
1 1 1   19  -11   20 o   44.411   20.199 -15.7190   49.041  101.572  143.232 -31.2952   52.196   83.605   36.457   43.007   20.015 40.59879 41.58972 
1 1 1   19  -11   21 o   98.466   25.973  155.357   64.783  223.560  158.627  141.704   70.972   99.437   40.530   92.068   28.208 7.368744 49.37980 
1 1 1   19  -11   22 o   44.321   20.343 -17.4296   51.255 -46.9988  153.112 -13.6978   54.394   65.806   31.663   46.280   21.135 19.52652 38.06846 
1 1 1   19  -10    0 o  108.825   13.499  151.677   35.897  118.600   55.238  175.859   47.231   94.123   23.557  116.595   16.698 -22.47248 28.87513 
1 1 1   19  -10    1 o  130.411   12.300  216.149   39.583  202.682   60.440  226.263   52.378  124.415   20.142  132.637   16.147 -8.222076 25.81517 
1 1 1   19  -10    2 o   92.968   14.936  112.051   33.502  125.655   53.011  103.005   43.228   96.968   22.350   88.037   20.105 8.931183 30.06213 
1 1 1   19  -10    3 o  177.165   11.319  396.707   49.816  412.420   75.867  384.798   66.049  179.276   17.156  173.578   15.398 5.698151 23.05243 
1 1 1   19  -10    4 o  118.365   12.907  178.907   37.531  234.501   59.271  141.696   48.491  134.445   18.115  103.647   19.450 30.79828 26.57901 
1 1 1   19  -10    5 o  230.713   11.317  670.583   65.202  678.570   97.746  664.180   87.519  230.168   17.129  228.238   15.446 1.930099 23.06483 
1 1 1   19  -10    6 o  383.930   19.855  1898.80  189.708  2120.80  282.892  1717.38  255.734  399.408   28.551  359.085   28.761 40.32300 40.52607 
1 1 1   19  -10    7 o  194.269   17.005  485.386   81.663  633.177  145.868  417.918   98.556  217.397   27.483  178.121   22.671 39.27594 35.62743 
1 1 1   19  -10    8 o  140.458   15.230  253.936   52.562  212.692  122.317  263.277   58.210  122.154   36.949  142.639   16.656 -20.48505 40.52975 
1 1 1   19  -10    9 o   87.808   16.173  101.508   34.156  176.382   55.363   55.494   43.401  115.269   19.956   66.594   22.236 48.67503 29.87811 
1 1 1   19  -10   10 f   90.905   15.529  108.460   33.986   93.543   55.035  117.655   43.210   83.148   24.703   93.778   19.100 -10.63023 31.22554 
1 1 1   19  -10   11 o  146.494   11.934  273.991   43.278  258.888   67.901  284.324   56.165  139.626   20.049  148.189   15.403 -8.562988 25.28271 
1 1 1   19  -10   12 o  148.481   11.830  281.806   43.499  245.986   68.583  305.913   56.264  135.334   20.972  153.752   14.838 -18.41826 25.69066 
1 1 1   19  -10   13 o  253.798   11.708  819.823   74.203  828.565  111.451  812.863   99.449  251.454   17.865  250.216   16.000 1.238235 23.98258 
1 1 1   19  -10   14 o   67.373   18.203   61.673   31.351   50.331   50.083   68.981   40.201   65.024   23.725   71.092   21.111 -6.068771 31.75758 
1 1 1   19  -10   15 o   89.103   19.580  109.438   42.377  157.066   60.692   64.128   59.196  105.286   23.660   71.195   25.821 34.09126 35.02222 
1 1 1   19  -10   16 o   35.013   15.673  -9.8524   28.197   20.817   44.811 -29.9565   36.280   52.969   21.560   35.604   16.609 17.36441 27.21597 
1 1 1   19  -10   17 o  101.675   14.635  137.481   36.087  147.318   55.549  130.299   47.468  101.496   22.507   96.365   20.363 5.130775 30.35162 
1 1 1   19  -10   18 o  150.111   12.079  292.901   44.897  252.143   68.494  323.607   59.451  133.936   21.183  155.921   15.473 -21.98523 26.23247 
1 1 1   19  -10   19 o  140.432   12.413  257.867   43.084  289.081   64.990  233.394   57.546  145.081   18.349  130.295   18.182 14.78578 25.83121 
1 1 1   19  -10   20 o   57.783   21.511   41.205   41.522  192.384  139.661   26.547   43.489  101.160   39.035   53.246   21.394 47.91372 44.51297 
1 1 1   19  -10   21 o   60.419   23.799   42.502   52.786 -34.6036  142.256   54.814   56.845   68.270   32.176   64.972   24.948 3.297707 40.71494 
1 1 1   19  -10   22 o   57.748   23.566   34.471   53.706   66.200  149.592   29.776   57.543   78.294   35.479   57.508   24.017 20.78521 42.84408 
1 1 1   19  -10   23 o   61.618   24.559   48.297   56.823   70.771  159.768   45.042   60.799   77.507   35.701   61.455   25.075 16.05227 43.62709 
1 1 1   19   -9    0 o  233.044   10.972  682.697   63.851  698.060   93.985  669.528   87.015  234.198   16.169  229.578   15.265 4.619827 22.23668 
1 1 1   19   -9    1 o  323.981   12.176  1321.74   98.507  1339.89  142.384  1305.09  136.426  324.237   17.652  320.179   17.125 4.058105 24.59359 
1 1 1   19   -9    2 f  197.102   10.852  489.884   53.206  518.129   79.453  466.920   71.642  201.611   15.911  191.526   15.102 10.08492 21.93648 
1 1 1   19   -9    3 o  179.152   11.080  405.222   49.327  440.538   74.656  377.859   65.715  185.682   16.265  172.060   15.459 13.62170 22.43949 
1 1 1   19   -9    4 o  237.644   11.290  710.735   67.002  669.405   98.972  745.702   91.036  228.755   17.458  242.212   15.127 -13.45671 23.09936 
1 1 1   19   -9    5 o  241.715   11.246  735.456   67.883  762.756  100.821  712.818   91.811  244.460   16.614  236.586   15.628 7.874725 22.80943 
1 1 1   19   -9    6 o  237.827   11.098  712.084   65.909  737.990   98.677  691.218   88.559  240.375   16.540  232.977   15.307 7.397903 22.53597 
1 1 1   19   -9    7 o  280.367   16.419  1003.43  114.455   0.0000   0.0000  1003.43  114.455  ?   ?   280.367   16.419 0.000000 16.41927 
1 1 1   19   -9    8 o  147.691   18.843  283.744   67.913  283.744   67.913   0.0000   0.0000  147.691   18.843  ?   ?  0.000000 18.84341 
1 1 1   19   -9    9 f  235.443   17.048  711.848   99.552  767.412  161.066  677.499  126.638  239.456   27.431  227.299   22.611 12.15662 35.54845 
1 1 1   19   -9   10 f  112.817   20.959  169.762   56.872  232.406  116.490  150.158   65.166  127.371   35.367  104.797   25.209 22.57381 43.43164 
1 1 1   19   -9   11 o  312.546   12.456  1238.11   97.221  1283.10  142.471  1198.90  132.999  315.061   18.186  304.876   17.543 10.18466 25.26828 
1 1 1   19   -9   12 o  109.722   13.447  155.395   36.074  122.984   57.215  176.781   46.476   94.547   24.147  116.250   16.470 -21.70344 29.22951 
1 1 1   19   -9   13 f  172.226   11.431  377.758   48.882  330.701   75.638  411.506   64.055  158.103   19.577  178.758   14.474 -20.65434 24.34611 
1 1 1   19   -9   14 o   67.370   17.950   61.205   30.743   51.737   50.378   66.823   38.807   66.004   23.839   70.365   20.702 -4.361397 31.57289 
1 1 1   19   -9   15 o  111.084   13.267  160.234   36.074  152.839   56.772  165.243   46.718  105.035   22.332  111.380   17.363 -6.344208 28.28749 
1 1 1   19   -9   16 f   33.983   15.267 -10.9556   27.012 -54.1112   42.942   17.301   34.748   35.601   17.034   47.785   19.150 -12.18353 25.62992 
1 1 1   19   -9   17 o  111.538   17.526  167.686   47.205  142.847   65.207  195.036   68.424   98.882   26.045  116.907   24.234 -18.02460 35.57575 
1 1 1   19   -9   18 o   93.074   15.057  115.817   33.800  160.424   51.311   81.625   44.924  107.602   19.826   75.866   22.260 31.73540 29.80946 
1 1 1   19   -9   19 o   50.394   17.891   30.911   28.253   11.260   42.209   46.863   38.028   48.636   20.457   59.953   20.797 -11.31651 29.17210 
1 1 1   19   -9   20 o  118.585   13.342  185.477   38.825  251.402   58.051  132.123   52.223  135.848   17.520   95.406   22.317 40.44251 28.37284 
1 1 1   19   -9   21 o  110.108   13.859  161.456   37.264  144.891   52.794  177.902   52.604   99.893   21.778  112.512   19.425 -12.61883 29.18254 
1 1 1   19   -9   22 o  106.715   20.000  162.894   51.340  192.273  152.166  159.120   54.537   98.928   39.923  104.342   21.640 -5.414825 45.41087 
1 1 1   19   -9   23 o  118.928   24.796  217.531   71.254   15.105  159.748  267.807   79.612   74.493   34.784  132.053   25.059 -57.56030 42.87077 
1 1 1   19   -9   24 o   76.681   26.401   94.641   61.227   97.260  158.323   94.180   66.393   80.768   36.560   76.322   27.391 4.446190 45.68231 
1 1 1   19   -8    0 o  175.819   11.185  390.103   48.852  360.889   72.364  414.565   66.218  167.764   17.532  180.569   14.816 -12.80441 22.95401 
1 1 1   19   -8    1 o  105.906   13.105  143.448   33.919  140.834   51.981  145.387   44.762  103.223   20.883  105.677   17.580 -2.454491 27.29750 
1 1 1   19   -8    2 o  235.969   11.064  699.991   65.198  699.801   95.495  700.157   89.232  234.436   16.416  234.792   15.303 -0.3566589 22.44190 
1 1 1   19   -8    3 o  469.188   15.260  2785.24  178.793  2895.51  255.380  2679.23  250.397  475.307   21.516  456.976   21.942 18.33170 30.73126 
1 1 1   19   -8    4 o  273.806   11.656  943.537   79.700  962.612  116.438  926.722  109.324  274.822   17.051  269.868   16.299 4.953583 23.58758 
1 1 1   19   -8    5 o  217.001   11.084  593.830   59.862  638.040   89.655  558.265   80.412  223.743   16.155  209.391   15.488 14.35243 22.38011 
1 1 1   19   -8    6 o  552.118   17.627  3879.98  243.027  4015.11  346.882  3749.72  340.587  556.347   24.968  537.308   25.384 19.03888 35.60527 
1 1 1   19   -8    7 o  254.669   11.532  816.789   73.341  811.256  108.042  821.517   99.877  251.908   17.280  253.979   15.826 -2.070786 23.43201 
1 1 1   19   -8    8 o  614.559   19.646  4840.00  301.506  4890.98  429.002  4790.24  423.832  609.563   28.183  603.309   28.132 6.253967 39.82095 
1 1 1   19   -8    9 o  190.805   10.993  460.026   52.159  542.665   79.481  397.518   69.125  206.122   15.556  176.151   15.885 29.97044 22.23370 
1 1 1   19   -8   10 o  176.796   11.322  395.723   49.725  406.702   76.686  387.757   65.317  177.574   17.522  174.048   15.180 3.525375 23.18321 
1 1 1   19   -8   11 o  180.544   17.196  420.613   76.590  522.805  135.367  372.495   92.887  196.432   28.422  167.771   22.759 28.66158 36.41134 
1 1 1   19   -8   12 o  253.322   17.428  827.472  109.580  862.893  173.807  804.104  141.173  252.593   28.027  246.741   23.184 5.852173 36.37310 
1 1 1   19   -8   13 o  168.141   11.346  359.265   47.359  354.349   73.564  362.745   61.891  164.765   18.182  167.903   14.916 -3.138641 23.51788 
1 1 1   19   -8   14 o  165.490   11.366  348.633   46.686  361.422   72.289  339.482   61.148  166.314   17.677  162.046   15.292 4.268021 23.37316 
1 1 1   19   -8   15 f  261.610   11.738  869.885   76.685  839.318  113.904  895.227  103.711  253.337   18.125  263.055   15.862 -9.717987 24.08540 
1 1 1   19   -8   16 o   50.684   17.891   30.141   28.215   44.147   46.537   22.001   35.479   62.092   22.837   50.065   19.575 12.02732 30.07832 
1 1 1   19   -8   17 o  120.563   12.324  187.837   36.583  206.311   56.921  174.837   47.750  123.703   19.037  114.462   17.241 9.241211 25.68333 
1 1 1   19   -8   18 o  132.974   12.097  228.508   39.729  246.678   61.030  215.145   52.337  135.268   18.556  126.981   16.927 8.286377 25.11666 
1 1 1   19   -8   19 o   68.486   20.317   65.058   37.248   62.400   48.623   68.834   57.948   68.288   23.526   71.878   25.612 -3.590874 34.77703 
1 1 1   19   -8   20 o  125.251   12.754  204.997   39.334  254.992   59.730  166.713   52.268  137.096   17.872  109.439   19.857 27.65681 26.71528 
1 1 1   19   -8   21 o  246.961   12.075  789.078   74.468  872.544  111.250  721.322  100.235  254.252   17.631  231.226   17.489 23.02655 24.83357 
1 1 1   19   -8   22 o   91.673   15.400  114.062   34.004  195.791   49.318   40.006   46.946  119.754   16.966   58.870   22.655 60.88353 28.30416 
1 1 1   19   -8   23 o  140.902   12.720  261.589   44.273  287.940   62.896  235.709   62.330  144.417   17.818  128.956   20.004 15.46112 26.78853 
1 1 1   19   -8   24 o  129.983   18.485  237.710   58.309  326.820  163.518  224.728   62.412  119.743   42.985  124.549   20.800 -4.806129 47.75315 
1 1 1   19   -8   25 o   94.941   26.440  147.066   65.006  176.536  167.672  141.852   70.521   90.974   39.561   91.746   28.119 -0.7717285 48.53600 
1 1 1   19   -7    0 o  150.125   15.695  287.957   57.970  280.646   76.552  297.784   88.759  146.735   21.532  150.367   24.480 -3.631744 32.60221 
1 1 1   19   -7    1 o  345.175   18.012  1516.87  154.722  1348.98  214.933  1697.45  222.906  321.589   27.014  362.147   24.797 -40.55838 36.66996 
1 1 1   19   -7    2 o   89.863   20.268  106.972   44.398   96.232   57.113  123.375   70.581   85.515   25.101   96.259   27.804 -10.74380 37.45874 
1 1 1   19   -7    3 o  621.949   19.586  4930.84  304.187  5207.26  432.521  4660.31  427.887  633.002   27.362  597.691   28.668 35.31110 39.63026 
1 1 1   19   -7    4 o  149.582   11.250  282.898   41.717  271.240   63.139  291.929   55.574  145.086   17.800  151.268   14.906 -6.182037 23.21725 
1 1 1   19   -7    5 o  207.212   11.013  541.319   56.781  477.593   84.068  594.775   76.997  193.108   17.628  216.532   14.321 -23.42339 22.71155 
1 1 1   19   -7    6 o  483.768   22.910  3012.42  276.772   0.0000   0.0000  3012.42  276.772  ?   ?   483.768   22.910 0.000000 22.91048 
1 1 1   19   -7    7 o  299.568   17.402  1144.74  129.618  1144.74  129.618   0.0000   0.0000  299.568   17.402  ?   ?  0.000000 17.40180 
1 1 1   19   -7    8 o  267.275   11.516  899.409   76.860  926.670  113.265  876.141  104.640  269.503   16.916  262.304   16.052 7.198822 23.31991 
1 1 1   19   -7    9 o  220.639   10.874  612.588   59.913  698.182   90.800  546.584   79.735  234.090   15.623  207.025   15.537 27.06453 22.03296 
1 1 1   19   -7   10 o  428.388   14.636  2325.77  156.566  2444.09  225.371  2215.41  217.664  435.934   20.703  414.319   21.108 21.61499 29.56584 
1 1 1   19   -7   11 o  294.668   11.848  1095.58   87.185  1114.01  128.262  1079.76  118.869  294.842   17.499  290.697   16.442 4.145264 24.01151 
1 1 1   19   -7   12 o  113.258   13.088  164.462   36.333  173.378   57.985  158.698   46.621  114.139   21.122  110.106   17.545 4.032890 27.45803 
1 1 1   19   -7   13 o   89.683   18.228  106.897   39.431  194.883  106.484   92.915   42.449  117.200   34.238   83.106   20.566 34.09422 39.93999 
1 1 1   19   -7   14 o  134.323   18.798  237.247   61.328  241.763  118.187  235.582   71.743  128.887   35.562  132.470   22.492 -3.583542 42.07743 
1 1 1   19   -7   15 o  349.735   13.216  1557.24  115.420  1607.73  167.059  1511.13  159.651  351.223   19.119  340.690   18.839 10.53351 26.84118 
1 1 1   19   -7   16 o   86.286   14.526   97.831   30.187  143.891   49.297   70.199   38.183  103.290   19.833   72.053   20.334 31.23672 28.40487 
1 1 1   19   -7   17 o  120.691   12.257  187.557   36.430  217.380   57.156  167.152   47.277  127.756   18.450  112.136   17.451 15.61961 25.39557 
1 1 1   19   -7   18 o   99.445   13.455  129.174   32.555  128.837   52.051  129.391   41.723   96.135   22.139   98.048   17.692 -1.912903 28.33954 
1 1 1   19   -7   19 o   67.995   17.320   63.134   29.491   66.209   45.651   60.932   38.634   69.888   22.781   66.963   20.861 2.925377 30.88925 
1 1 1   19   -7   20 o  120.820   12.461  189.807   37.056  136.653   55.739  231.907   49.606   97.690   23.195  132.423   15.282 -34.73228 27.77635 
1 1 1   19   -7   21 o  150.685   15.287  300.875   56.726  278.068   74.929  331.497   86.824  140.614   22.065  152.617   23.539 -12.00331 32.26349 
1 1 1   19   -7   22 o   54.114   18.155   38.228   28.931   37.667   40.335   38.823   41.521   56.654   21.180   57.409   21.484 -0.7549706 30.16820 
1 1 1   19   -7   23 o  164.903   12.107  354.384   49.508  352.296   72.831  356.177   67.501  160.040   18.569  162.176   16.917 -2.135101 25.11927 
1 1 1   19   -7   24 o  258.165   12.492  870.178   80.535  859.237  117.558  879.854  110.551  248.932   19.056  253.819   17.549 -4.887100 25.90582 
1 1 1   19   -7   25 o  142.109   12.616  266.944   44.306  255.845   60.856  279.463   64.631  134.959   18.548  140.878   18.844 -5.919174 26.44057 
1 1 1   19   -7   26 o   51.449   22.427   10.045   54.163 -40.9154  157.444   16.886   57.684   68.132   32.604   54.150   23.375 13.98188 40.11740 
1 1 1   19   -6    0 o   56.533   17.210   40.692   26.474   27.059   41.416   50.112   34.426   55.499   21.298   62.966   19.705 -7.466999 29.01546 
1 1 1   19   -6    1 o  362.781   13.227  1657.85  119.828  1645.66  171.572  1669.46  167.429  359.221   19.196  362.054   18.581 -2.833588 26.71595 
1 1 1   19   -6    2 o  375.378   15.495  1781.11  145.246  1632.03  248.794  1858.19  178.897  353.260   28.444  382.338   18.737 -29.07800 34.06090 
1 1 1   19   -6    3 o  369.042   19.211  1737.72  176.427  1789.65  247.187  1683.81  251.889  370.785   26.879  358.784   28.345 12.00116 39.06297 
1 1 1   19   -6    4 o  236.944   15.543  712.950   91.459  671.052  125.904  759.760  133.079  227.782   22.425  242.567   22.217 -14.78496 31.56684 
1 1 1   19   -6    5 o   78.102   21.499   80.532   43.256   95.216   56.340   59.448   67.511   85.037   24.922   74.686   27.501 10.35065 37.11355 
1 1 1   19   -6    6 o  201.589   15.667  517.332   78.251  481.120  105.113  562.351  117.199  192.469   22.282  208.036   22.941 -15.56715 31.98087 
1 1 1   19   -6    7 o  211.834   11.009  565.691   58.034  603.106   86.393  534.924   78.342  217.616   16.010  205.029   15.414 12.58611 22.22435 
1 1 1   19   -6    8 o  325.114   12.376  1331.76  100.477  1334.91  145.711  1328.89  138.737  323.361   18.118  322.954   17.265 0.4067688 25.02699 
1 1 1   19   -6    9 o  543.764   17.235  3759.40  234.037  3951.06  334.013  3574.54  328.025  552.648   24.203  525.029   25.019 27.61853 34.80993 
1 1 1   19   -6   10 o  375.031   13.247  1775.99  124.061  1862.32  179.618  1697.23  171.557  381.861   18.836  364.045   18.937 17.81598 26.70952 
1 1 1   19   -6   11 o  205.041   11.057  530.807   56.405  535.637   84.321  526.896   75.882  204.557   16.652  203.328   15.052 1.229095 22.44629 
1 1 1   19   -6   12 o  311.447   12.347  1224.62   96.030  1212.97  140.097  1234.94  131.888  307.425   18.332  310.768   17.060 -3.342987 25.04249 
1 1 1   19   -6   13 f  306.082   12.196  1183.57   93.217  1168.12  136.506  1197.07  127.602  301.413   18.221  305.809   16.773 -4.395691 24.76621 
1 1 1   19   -6   14 o  187.643   11.004  445.762   51.338  469.096   77.976  427.908   68.207  190.900   16.520  182.729   15.083 8.170853 22.36937 
1 1 1   19   -6   15 o  100.978   13.481  131.733   33.146  142.325   54.053  125.349   41.961  102.651   21.762   97.266   17.937 5.385345 28.20111 
1 1 1   19   -6   16 o  216.111   17.275  605.698   92.450  568.862  152.395  627.149  116.293  201.238   31.347  217.651   21.685 -16.41335 38.11630 
1 1 1   19   -6   17 o   84.196   18.071   95.306   36.859   54.564   49.730  144.971   54.906   67.078   23.745  102.970   22.020 -35.89214 32.38315 
1 1 1   19   -6   18 o   57.295   17.795   42.900   28.136   59.554   45.244   32.398   35.928   67.832   22.703   54.393   20.057 13.43823 30.29399 
1 1 1   19   -6   19 o  172.528   10.964  380.201   46.993  380.868   71.778  379.701   62.168  169.980   17.144  170.899   14.711 -0.9181824 22.59040 
1 1 1   19   -6   20 f  134.927   11.851  234.689   39.524  232.610   60.510  236.236   52.198  131.202   19.023  133.715   15.947 -2.513290 24.82331 
1 1 1   19   -6   21 o  222.015   11.012  630.412   61.054  603.512   91.260  652.206   82.144  212.968   17.310  223.259   14.818 -10.29048 22.78593 
1 1 1   19   -6   22 o  230.083   11.768  682.798   67.388  660.342   99.437  701.871   91.642  221.487   18.137  230.176   16.044 -8.688980 24.21504 
1 1 1   19   -6   23 o  179.211   15.086  425.334   66.884  409.182   87.524  448.005  103.695  171.432   20.876  176.531   24.156 -5.099442 31.92694 
1 1 1   19   -6   24 o  216.676   11.434  607.751   61.646  489.568   90.269  711.037   84.388  188.170   19.493  231.825   14.652 -43.65468 24.38600 
1 1 1   19   -6   25 o   91.673   15.356  114.451   33.910  127.724   45.393   97.690   51.007   94.526   19.862   80.733   23.728 13.79339 30.94382 
1 1 1   19   -6   26 o   94.105   15.275  121.180   34.665  103.799   45.146  146.149   54.110   83.631   21.499   98.990   22.411 -15.35862 31.05577 
1 1 1   19   -6   27 f   98.741   24.344  152.365   59.644   0.0000   0.0000  152.365   59.644  ?   ?    98.741   24.344 0.000000 24.34356 
1 1 1   19   -5    0 o  121.140   11.932  186.245   35.628  140.830   52.935  223.855   48.172  103.275   21.235  132.392   14.825 -29.11694 25.89811 
1 1 1   19   -5    1 o  275.593   11.638  954.642   80.091  977.249  115.568  933.750  111.097  277.367   16.764  271.180   16.484 6.187317 23.51059 
1 1 1   19   -5    2 o  310.090   12.023  1209.24   93.098  1204.11  133.876  1214.05  129.552  307.731   17.494  309.205   16.842 -1.473938 24.28312 
1 1 1   19   -5    3 o  240.863   11.142  728.919   67.016  684.968   97.141  768.834   92.573  231.965   16.886  246.276   15.126 -14.31052 22.66982 
1 1 1   19   -5    4 o  176.869   10.958  394.483   48.162  390.693   71.339  397.658   65.284  174.922   16.528  176.844   14.923 -1.922348 22.26762 
1 1 1   19   -5    5 o  362.292   15.319  1659.00  138.591  1840.42  257.530  1585.04  164.432  375.578   27.653  352.592   18.742 22.98615 33.40608 
1 1 1   19   -5    6 o  248.089   22.241  794.607  136.327  794.607  136.327   0.0000   0.0000  248.089   22.241  ?   ?  0.000000 22.24126 
1 1 1   19   -5    7 o  333.466   17.988  1416.96  149.238  1416.14  209.076  1417.81  213.089  330.023   25.569  329.960   26.074 0.6243896E-01 36.51857 
1 1 1   19   -5    8 o  157.756   15.376  317.741   59.805  273.138   80.710  372.049   89.059  144.075   23.222  169.156   21.575 -25.08086 31.69775 
1 1 1   19   -5    9 o  145.679   15.850  271.878   56.731  261.784   77.618  283.456   83.123  141.044   22.817  146.680   23.486 -5.636642 32.74410 
1 1 1   19   -5   10 o  384.414   13.674  1865.92  131.260  1863.08  188.635  1868.58  182.763  381.279   19.881  382.651   19.127 -1.371552 27.58750 
1 1 1   19   -5   11 o   81.888   15.889   87.850   31.319   77.777   50.380   94.195   39.985   77.367   23.776   84.239   19.407 -6.871902 30.69118 
1 1 1   19   -5   12 o  105.861   13.403  143.767   34.638  100.530   54.486  173.093   44.872   86.737   24.225  115.733   15.950 -28.99593 29.00406 
1 1 1   19   -5   13 o  441.506   15.010  2473.07  165.488  2500.72  237.270  2446.87  230.930  440.258   21.582  435.723   21.224 4.535522 30.26901 
1 1 1   19   -5   14 o  213.660   10.956  576.773   58.261  548.914   87.804  598.688   77.874  206.655   17.170  216.756   14.470 -10.10110 22.45429 
1 1 1   19   -5   15 o  159.280   11.161  321.672   44.113  268.686   67.722  360.722   58.139  143.214   19.439  168.016   13.984 -24.80144 23.94592 
1 1 1   19   -5   16 o   96.716   13.722  121.129   32.212   95.948   51.796  137.009   41.134   84.155   23.660  102.173   16.699 -18.01785 28.95938 
1 1 1   19   -5   17 o   87.897   14.501  101.072   30.719  118.879   50.251   90.448   38.816   93.431   21.917   81.919   19.293 11.51202 29.19869 
1 1 1   19   -5   18 o  156.379   17.583  320.353   67.472  472.547  129.114  263.176   79.138  183.689   29.119  138.951   23.655 44.73795 37.51592 
1 1 1   19   -5   19 o  213.046   13.201  582.464   69.885  517.936   89.249  684.737  112.360  198.437   18.214  227.227   20.006 -28.78915 27.05499 
1 1 1   19   -5   20 o   34.431   15.039  -3.6922   24.462   41.545   39.093 -32.8041   31.360   58.920   21.032   31.972   15.081 26.94805 25.87958 
1 1 1   19   -5   21 o  190.340   10.994  463.525   52.032  401.648   78.479  512.059   69.505  173.405   18.405  198.575   14.108 -25.16914 23.19014 
1 1 1   19   -5   22 o  185.220   11.311  440.730   52.066  450.853   78.145  432.648   69.822  184.030   17.204  181.259   15.577 2.770859 23.20804 
1 1 1   19   -5   23 o  213.213   11.553  585.704   61.283  581.783   90.707  588.997   83.123  208.333   17.600  210.949   15.896 -2.615921 23.71613 
1 1 1   19   -5   24 o   39.122   16.206   7.6843   25.898   27.101   33.902 -19.5254   40.133   50.574   19.302   39.820   18.173 10.75420 26.51114 
1 1 1   19   -5   25 o   92.203   18.365  118.574   40.799   88.577   47.807  198.991   78.275   77.848   22.998  113.459   27.837 -35.61096 36.10785 
1 1 1   19   -5   26 o   33.095   14.662  -5.2992   24.030 -11.4434   28.995   8.1771   42.941   34.718   15.687   47.554   20.342 -12.83641 25.68748 
1 1 1   19   -5   27 o   86.463   23.191  113.297   51.107   58.977  163.294  119.196   53.810   80.146   36.608   88.306   23.844 -8.160217 43.68846 
1 1 1   19   -5   28 o   71.440   18.217   73.848   32.600   89.999   37.997   28.794   63.463   78.299   19.505   58.553   24.879 19.74624 31.61379 
1 1 1   19   -4    0 o  707.799   22.641  6407.69  400.190  6169.63  566.398  6645.01  565.510  685.318   33.096  712.609   31.779 -27.29016 45.88308 
1 1 1   19   -4    1 o  264.547   11.399  879.283   75.304  850.965  108.242  905.844  104.831  258.780   16.842  267.307   15.775 -8.526855 23.07554 
1 1 1   19   -4    2 o  113.186   12.014  162.851   33.437  170.799   50.407  156.606   44.683  114.697   18.207  110.037   16.793 4.659912 24.76939 
1 1 1   19   -4    3 o  224.007   10.654  630.030   59.599  686.878   87.296  580.401   81.566  232.773   15.100  213.830   15.378 18.94315 21.55179 
1 1 1   19   -4    4 o  276.408   13.253  962.296   91.477  906.317  156.542  991.325  112.726  264.676   23.944  279.492   16.221 -14.81613 28.92097 
1 1 1   19   -4    5 o  414.242   20.685  2189.02  213.974  2189.02  213.974   0.0000   0.0000  414.242   20.685  ?   ?  0.000000 20.68508 
1 1 1   19   -4    6 o   91.039   14.110  106.933   31.040  105.390   48.334  108.016   40.493   89.052   21.890   90.628   18.518 -1.575935 28.67191 
1 1 1   19   -4    7 o  189.384   10.975  452.150   51.680  391.877   76.040  503.891   70.452  174.884   17.653  199.333   14.247 -24.44948 22.68535 
1 1 1   19   -4    8 o  266.569   11.575  893.661   77.049  850.674  111.495  932.953  106.596  258.363   17.382  271.082   15.815 -12.71866 23.50054 
1 1 1   19   -4    9 o  171.551   11.253  371.596   47.939  349.547   72.231  388.954   64.088  164.961   17.817  174.830   14.819 -9.869125 23.17463 
1 1 1   19   -4   10 o  198.602   15.120  501.698   74.423  472.447  102.646  534.118  108.063  190.755   21.949  203.064   21.644 -12.30852 30.82539 
1 1 1   19   -4   11 f  215.602   15.203  591.153   81.331  545.806  113.029  639.839  117.117  204.921   22.456  222.446   21.346 -17.52505 30.98227 
1 1 1   19   -4   12 o  105.225   13.143  141.825   33.781  195.468   53.073  105.291   43.799  122.712   17.842   89.017   20.170 33.69546 26.92904 
1 1 1   19   -4   13 o  230.757   11.070  670.211   63.790  618.966   94.692  712.790   86.314  219.832   17.391  236.828   14.667 -16.99562 22.75029 
1 1 1   19   -4   14 o  266.336   11.431  893.834   76.028  978.613  112.412  822.359  103.216  276.918   16.328  253.756   16.376 23.16222 23.12529 
1 1 1   19   -4   15 o  148.812   11.086  280.602   40.903  283.017   63.361  278.876   53.557  147.875   17.498  147.531   14.734 0.3441620 22.87502 
1 1 1   19   -4   16 o  142.497   11.186  257.745   39.486  221.814   61.277  283.259   51.636  129.917   19.489  148.747   14.068 -18.83018 24.03595 
1 1 1   19   -4   17 o  189.170   10.883  453.291   51.194  444.948   78.445  459.481   67.566  185.480   17.130  189.461   14.389 -3.981201 22.37090 
1 1 1   19   -4   18 o  266.794   11.485  901.321   76.519  897.265  113.940  904.654  103.274  263.292   17.428  265.277   15.659 -1.984802 23.42969 
1 1 1   19   -4   19 o  193.769   10.767  476.806   51.893  474.309   79.442  478.665   68.536  190.981   16.829  192.913   14.329 -1.931412 22.10321 
1 1 1   19   -4   20 o   81.695   22.744   92.112   48.108  180.560  112.862   72.473   53.181  110.022   35.817   74.073   24.610 35.94897 43.45714 
1 1 1   19   -4   21 o  171.013   13.158  377.105   55.761  356.698   72.353  406.957   87.508  164.093   17.950  173.899   20.548 -9.805649 27.28405 
1 1 1   19   -4   22 o  143.929   11.320  266.044   40.359  255.446   61.450  274.084   53.521  138.023   18.278  144.602   15.042 -6.579086 23.67189 
1 1 1   19   -4   23 o  141.714   11.558  258.930   40.547  209.290   60.363  299.742   54.733  123.307   20.311  151.132   14.688 -27.82470 25.06520 
1 1 1   19   -4   24 o  179.317   11.198  413.856   49.890  414.260   74.283  413.524   67.338  175.969   17.121  176.931   15.394 -0.9616852 23.02432 
1 1 1   19   -4   25 o   97.527   13.924  126.292   32.949   98.231   45.863  156.224   47.367   82.643   21.879  106.469   18.486 -23.82591 28.64322 
1 1 1   19   -4   26 o  131.908   15.139  232.512   48.964  142.891   58.361  445.573   89.985   98.216   23.999  178.633   20.547 -80.41707 31.59307 
1 1 1   19   -4   27 o  153.013   15.648  315.337   58.952  295.262   69.800  365.285  110.102  144.973   19.798  151.218   30.214 -6.244705 36.12252 
1 1 1   19   -4   28 o   77.519   16.534   84.095   31.030  101.503   39.099   54.471   51.004   84.025   19.071   63.767   23.821 20.25738 30.51451 
1 1 1   19   -4   29 o   33.849   14.613   0.7482   22.550   8.1252   25.791 -23.1950   46.465   38.596   16.096   41.430   19.143 -2.833797 25.01044 
1 1 1   19   -3    0 o  226.061   11.031  641.690   62.271  596.232   89.771  683.848   86.452  216.495   16.735  232.351   14.980 -15.85596 22.45993 
1 1 1   19   -3    1 o  359.877   12.941  1629.79  116.300  1564.23  165.826  1693.26  163.154  350.494   19.017  365.525   17.874 -15.03073 26.09888 
1 1 1   19   -3    2 o  304.765   12.361  1168.12   94.076  1076.20  134.426  1256.36  131.703  290.638   18.620  314.672   16.821 -24.03442 25.09282 
1 1 1   19   -3    3 o  119.872   11.362  182.115   33.605  178.853   50.455  184.715   45.052  117.546   17.741  120.002   15.388 -2.456268 23.48495 
1 1 1   19   -3    4 f  231.520   13.187  677.051   75.927  597.588  144.961  707.093   89.131  213.178   27.900  236.179   15.193 -23.00110 31.76868 
1 1 1   19   -3    5 o  316.704   12.401  1261.84   98.074  1250.76  140.473  1272.37  136.989  313.513   18.018  316.416   17.404 -2.903625 25.05118 
1 1 1   19   -3    6 o  249.022   11.359  779.276   70.638  791.049  102.318  768.555   97.641  249.482   16.517  246.034   15.979 3.448441 22.98102 
1 1 1   19   -3    7 o  230.827   10.977  669.347   63.275  676.663   92.359  662.877   86.864  230.730   16.131  228.557   15.308 2.172729 22.23823 
1 1 1   19   -3    8 o  186.439   10.842  438.112   50.259  448.039   74.421  429.787   68.147  187.518   16.047  183.873   14.971 3.644577 21.94681 
1 1 1   19   -3    9 o  341.148   12.680  1465.60  108.020  1458.22  155.407  1472.49  150.249  338.204   18.471  340.126   17.751 -1.922302 25.61798 
1 1 1   19   -3   10 o  207.220   11.014  541.207   56.789  553.214   84.586  531.353   76.627  208.348   16.390  204.477   15.114 3.870529 22.29493 
1 1 1   19   -3   11 o   98.986   13.354  125.736   32.166  160.273   50.468  102.107   41.744  110.719   18.934   87.827   19.538 22.89166 27.20681 
1 1 1   19   -3   12 o  432.744   14.841  2368.40  160.376  2362.61  230.295  2373.84  223.470  428.683   21.582  430.612   20.782 -1.928406 29.96102 
1 1 1   19   -3   13 o  115.811   16.078  173.195   45.242  175.119   62.712  171.108   65.333  114.779   22.684  113.125   23.877 1.653580 32.93444 
1 1 1   19   -3   14 o  333.155   17.809  1418.12  147.629  1360.18  208.135  1476.79  209.429  322.096   26.101  336.273   25.121 -14.17706 36.22626 
1 1 1   19   -3   15 o  266.319   11.372  893.552   75.631  904.951  111.754  883.918  102.732  266.075   16.907  263.376   15.691 2.698792 23.06632 
1 1 1   19   -3   16 o  152.333   10.998  293.878   41.554  261.665   64.530  316.699   54.314  141.776   18.682  157.511   13.953 -15.73564 23.31711 
1 1 1   19   -3   17 o  234.123   10.908  691.264   63.771  636.302   95.759  735.064   85.485  222.303   17.388  240.161   14.319 -17.85825 22.52522 
1 1 1   19   -3   18 o  217.458   10.962  598.623   59.335  571.328   89.721  619.840   79.102  210.323   17.234  220.185   14.467 -9.861923 22.50113 
1 1 1   19   -3   19 o  262.322   11.311  870.976   74.092  918.777  110.592  832.048   99.801  266.840   16.680  254.316   15.793 12.52386 22.97061 
1 1 1   19   -3   20 o  241.881   11.211  741.674   67.719  750.963  101.562  734.238   90.866  240.505   17.020  238.662   15.328 1.843063 22.90478 
1 1 1   19   -3   21 o  253.844   11.204  818.531   71.024  846.947  106.349  795.653   95.424  255.027   16.793  247.916   15.491 7.111237 22.84697 
1 1 1   19   -3   22 o   63.481   22.627   49.212   45.233   76.328  112.520   43.986   49.400   84.751   34.285   62.652   23.436 22.09871 41.52956 
1 1 1   19   -3   23 o  102.341   15.653  139.137   38.731  104.706   50.127  190.143   61.011   86.085   22.914  117.168   21.649 -31.08357 31.52347 
1 1 1   19   -3   24 o  307.271   12.397  1214.65   95.126  1150.62  138.863  1271.26  130.575  292.712   19.102  310.046   16.929 -17.33411 25.52415 
1 1 1   19   -3   25 o  105.019   13.232  144.875   33.932  105.873   48.751  181.525   47.257   85.933   22.466  116.120   16.784 -30.18752 28.04295 
1 1 1   19   -3   26 o  270.662   17.070  980.324  114.787   0.0000   0.0000  980.324  114.787  ?   ?   270.662   17.070 0.000000 17.07042 
1 1 1   19   -3   27 o  135.837   18.033  252.863   59.658  252.863   59.658   0.0000   0.0000  135.837   18.033  ?   ?  0.000000 18.03298 
1 1 1   19   -3   28 o   48.161   18.177   25.823   29.853   46.615   31.971 -115.6950   83.412   58.342   19.067   45.816   22.351 12.52657 29.37893 
1 1 1   19   -3   29 o   70.222   17.330   69.909   30.204   82.270   36.895   44.793   52.592   75.316   19.473   60.901   23.826 14.41525 30.77182 
1 1 1   19   -2    0 o  244.171   11.099  748.588   67.677  712.275   97.263  782.669   94.228  236.812   16.551  248.599   15.252 -11.78728 22.50727 
1 1 1   19   -2    1 o  340.645   12.593  1459.43  107.124  1434.16  153.115  1483.66  149.928  335.849   18.326  341.842   17.623 -5.992615 25.42483 
1 1 1   19   -2    2 o  258.530   11.229  839.420   72.492  801.817  104.427  874.397  100.714  251.245   16.740  262.747   15.417 -11.50282 22.75788 
1 1 1   19   -2    3 o  222.344   14.735  626.209   81.351   0.0000   0.0000  626.209   81.351  ?   ?   222.344   14.735 0.000000 14.73506 
1 1 1   19   -2    4 o  295.364   16.644  1106.97  122.260  1106.97  122.260   0.0000   0.0000  295.364   16.644  ?   ?  0.000000 16.64366 
1 1 1   19   -2    5 o  267.168   11.342  896.750   75.667  908.928  109.289  885.537  104.868  267.588   16.435  264.231   15.968 3.357117 22.91472 
1 1 1   19   -2    6 o  215.450   10.642  582.781   57.256  585.137   83.652  580.705   78.535  214.637   15.716  214.027   14.785 0.6100464 21.57753 
1 1 1   19   -2    7 o  210.182   10.774  556.186   56.357  542.817   82.600  567.830   77.086  206.571   16.141  211.637   14.677 -5.065613 21.81587 
1 1 1   19   -2    8 o  237.050   10.783  705.730   63.828  708.969   93.383  702.889   87.443  236.268   15.920  235.483   14.948 0.7850647 21.83776 
1 1 1   19   -2    9 o  107.460   12.375  147.193   32.602  151.604   50.304  143.998   42.811  107.585   19.439  105.371   16.837 2.213234 25.71696 
1 1 1   19   -2   10 o  306.400   12.199  1181.40   93.340  1126.70  134.405  1232.35  129.725  297.284   18.192  311.439   16.742 -14.15500 24.72330 
1 1 1   19   -2   11 o  329.698   12.517  1368.76  103.050  1346.04  148.969  1389.61  142.703  324.859   18.439  330.486   17.352 -5.626434 25.32001 
1 1 1   19   -2   12 o  173.975   11.020  381.978   47.631  341.093   71.752  414.189   63.687  162.891   17.937  180.568   14.240 -17.67764 22.90176 
1 1 1   19   -2   13 o  213.644   10.805  575.204   57.456  577.130   85.660  573.629   77.467  212.778   16.244  212.526   14.687 0.2522736 21.89898 
1 1 1   19   -2   14 o  327.711   12.299  1353.25  100.646  1395.32  146.475  1315.62  138.527  330.670   17.804  321.243   17.332 9.427521 24.84751 
1 1 1   19   -2   15 f  170.569   14.585  370.810   61.526  362.435   86.547  379.367   87.482  166.736   21.271  170.742   20.958 -4.006668 29.86069 
1 1 1   19   -2   16 o  310.346   16.997  1230.10  131.223  1147.75  184.571  1314.27  186.602  295.797   25.228  317.529   23.704 -21.73157 34.61737 
1 1 1   19   -2   17 o  174.304   10.977  384.284   47.536  372.474   73.528  392.765   62.309  169.893   17.586  175.437   14.348 -5.544220 22.69644 
1 1 1   19   -2   18 o  183.537   10.953  426.329   49.973  411.964   76.822  436.867   65.796  178.574   17.450  184.918   14.361 -6.344803 22.59987 
1 1 1   19   -2   19 f  175.519   10.868  390.420   47.401  343.174   73.066  424.756   62.288  162.269   18.354  182.307   13.784 -20.03798 22.95355 
1 1 1   19   -2   20 o  181.681   10.816  418.754   48.848  404.411   75.128  429.258   64.294  176.392   17.278  182.928   14.186 -6.536163 22.35503 
1 1 1   19   -2   21 o  164.585   10.935  344.616   44.687  297.089   68.582  379.681   58.908  150.062   18.708  171.856   13.844 -21.79381 23.27312 
1 1 1   19   -2   22 f   71.097   16.395   67.934   28.513   59.722   44.874   73.493   36.925   67.850   22.609   73.463   19.716 -5.612900 29.99825 
1 1 1   19   -2   23 o  151.879   11.077  295.099   41.724  236.179   63.353  340.231   55.447  132.301   19.783  162.089   13.831 -29.78813 24.13853 
1 1 1   19   -2   24 o   72.358   23.218   71.664   47.541   65.228  116.415   72.952   52.082   82.309   34.250   73.272   24.355 9.037010 42.02588 
1 1 1   19   -2   25 o  112.761   14.886  168.161   40.893  156.971   52.760  184.998   64.716  106.293   20.621  114.032   23.508 -7.739220 31.27052 
1 1 1   19   -2   26 o  129.950   12.245  219.397   39.267  190.009   57.511  245.060   53.743  116.920   20.442  135.510   16.203 -18.59065 26.08465 
1 1 1   19   -2   27 f   63.952   18.251   56.670   30.582   61.569   36.623   45.387   55.586   66.456   20.244   63.320   24.572 3.135880 31.83728 
1 1 1   19   -2   28 o   35.646   15.153   2.6967   23.563   7.2225   28.731  -6.6015   41.182   40.458   16.940   43.165   19.155 -2.706745 25.57137 
1 1 1   19   -2   29 o  102.334   13.763  139.933   34.278  104.267   44.094  194.410   54.495   84.633   20.971  117.597   19.221 -32.96426 28.44694 
1 1 1   19   -2   30 o  114.562   16.738  181.417   46.472  158.237   51.224  289.250  110.483  104.525   20.357  127.415   34.066 -22.88987 39.68468 
1 1 1   19   -1    0 o  128.115   11.083  207.580   35.108  156.915   51.493  251.592   47.993  109.607   19.529  140.688   13.840 -31.08057 23.93559 
1 1 1   19   -1    1 o  381.270   13.661  1830.33  130.063  1705.28  184.651  1953.46  183.230  365.642   20.303  392.457   18.696 -26.81491 27.59989 
1 1 1   19   -1    2 o  248.013   11.045  772.289   68.405  770.469   98.703  773.971   94.888  246.443   16.127  247.164   15.451 -0.7207489 22.33442 
1 1 1   19   -1    3 o  154.750   11.000  302.167   42.230  293.193   62.125  309.876   57.578  151.382   16.712  156.041   14.960 -4.658295 22.42990 
1 1 1   19   -1    4 o  127.221   11.497  204.959   36.130  191.697   53.251  216.273   49.182  121.725   18.067  130.005   15.452 -8.280006 23.77329 
1 1 1   19   -1    5 o  336.300   12.774  1423.00  107.278  1390.18  153.080  1454.68  150.383  330.483   18.625  338.341   17.862 -7.857697 25.80590 
1 1 1   19   -1    6 o  168.040   10.646  355.880   44.444  357.620   65.326  354.382   60.641  167.525   15.802  166.987   14.692 0.5386353 21.57685 
1 1 1   19   -1    7 o  314.394   12.534  1243.54   98.407  1207.28  140.832  1278.13  137.564  307.916   18.400  317.162   17.436 -9.246338 25.34867 
1 1 1   19   -1    8 o  157.822   10.769  314.197   42.187  282.735   61.952  341.400   57.607  148.500   17.013  163.947   14.211 -15.44720 22.16785 
1 1 1   19   -1    9 o   55.863   16.659   39.995   24.994   10.713   39.025   60.358   32.544   48.791   20.020   67.872   18.634 -19.08107 27.34963 
1 1 1   19   -1   10 o  182.336   10.599  418.880   48.050  370.442   71.239  459.310   65.084  170.187   16.990  190.392   13.782 -20.20450 21.87691 
1 1 1   19   -1   11 o   98.059   12.693  123.036   30.351  136.229   47.209  113.740   39.627  101.877   19.262   93.210   17.671 8.666901 26.14013 
1 1 1   19   -1   12 o  292.002   11.789  1072.58   85.964  1038.28  124.497  1103.84  118.844  285.498   17.547  294.828   16.204 -9.329742 23.88488 
1 1 1   19   -1   13 o  218.886   10.889  602.163   59.519  614.929   88.632  591.677   80.324  219.735   16.268  215.840   14.996 3.895645 22.12521 
1 1 1   19   -1   14 o  265.182   11.259  884.451   74.558  878.638  109.472  889.481  101.825  262.640   16.779  264.649   15.475 -2.009003 22.82553 
1 1 1   19   -1   15 o  267.090   11.178  897.445   74.554  919.811  110.465  878.736  101.036  268.718   16.542  262.960   15.454 5.758453 22.63802 
1 1 1   19   -1   16 o  251.580   11.350  796.814   71.305  725.349  105.716  856.463   96.582  237.946   17.923  259.629   14.960 -21.68315 23.34615 
1 1 1   19   -1   17 o  205.472   10.881  532.927   55.633  540.739   84.453  526.939   73.943  205.517   16.597  203.417   14.655 2.100067 22.14121 
1 1 1   19   -1   18 o  203.190   14.504  526.287   73.110  455.599  102.716  598.866  104.082  186.252   22.544  215.068   19.595 -28.81570 29.86917 
1 1 1   19   -1   19 o   97.494   17.155  124.972   40.242  152.786   57.917   99.011   55.954  106.513   22.481   85.735   24.754 20.77821 33.43866 
1 1 1   19   -1   20 o  190.490   10.784  459.564   51.090  493.239   78.861  435.209   67.067  195.643   16.290  184.238   14.700 11.40506 21.94161 
1 1 1   19   -1   21 o  105.862   12.440  144.138   32.259  118.011   51.089  161.463   41.601   92.976   22.293  111.321   15.375 -18.34548 27.08071 
1 1 1   19   -1   22 o  205.453   10.899  536.268   55.718  541.501   84.934  532.315   73.823  204.071   16.816  203.299   14.639 0.7721252 22.29579 
1 1 1   19   -1   23 o  191.065   10.867  464.872   51.635  405.512   77.920  511.347   68.946  175.408   18.046  199.189   13.949 -23.78012 22.80881 
1 1 1   19   -1   24 o   49.237   17.167   28.985   25.926   37.118   38.943   22.510   34.746   57.043   20.904   49.809   19.400 7.233841 28.51932 
1 1 1   19   -1   25 o  159.445   11.695  326.877   46.240  188.457   74.394  414.020   59.027  113.858   26.638  178.805   13.315 -64.94660 29.78082 
1 1 1   19   -1   26 o   71.120   31.929  -2.3743  117.936  -2.3743  117.936   0.0000   0.0000   71.120   31.929  ?   ?  0.000000 31.92924 
1 1 1   19   -1   27 o   98.167   15.067  128.678   35.755   44.264   43.974  293.379   61.423   60.422   22.203  147.979   16.926 -87.55663 27.91908 
1 1 1   19   -1   28 o  113.101   12.585  167.498   34.942  135.408   47.993  203.698   50.974   98.035   20.273  122.612   17.115 -24.57631 26.53132 
1 1 1   19   -1   29 o   81.244   15.646   90.143   30.590   70.807   39.359  119.642   48.614   70.407   20.884   90.845   21.723 -20.43762 30.13358 
1 1 1   19   -1   30 o  132.597   12.393  231.122   40.558  233.129   54.241  228.577   61.083  130.363   17.072  127.122   19.894 3.241295 26.21528 
1 1 1   19   -1   31 o   83.104   16.009   95.955   32.017  100.728   39.244   86.454   55.369   83.486   19.221   75.156   25.116 8.330643 31.62696 
1 1 1   19    0    0 o  357.279   19.095  1623.86  169.749  1516.76  246.256  1720.82  234.311  341.066   29.195  365.048   25.871 -23.98160 39.00818 
1 1 1   19    0    1 o  274.952   15.449  956.846  105.646  1142.35  160.364  814.604  140.426  298.642   21.650  251.643   22.587 46.99980 31.28763 
1 1 1   19    0    2 f  169.919   19.061  370.714   79.486   0.0000   0.0000  370.714   79.486  ?   ?   169.919   19.061 0.000000 19.06119 
1 1 1   19    0    3 o   76.431   29.035   55.872   76.483   55.872   76.483   0.0000   0.0000   76.431   29.035  ?   ?  0.000000 29.03479 
1 1 1   19    0    4 o   81.490   19.036   87.597   38.038   81.500   79.066   89.433   43.389   84.227   29.927   82.251   21.040 1.975906 36.58269 
1 1 1   19    0    5 o  131.344   15.439  220.662   49.672  236.730   87.877  213.117   60.214  133.156   27.343  128.163   19.423 4.992844 33.53953 
1 1 1   19    0    6 o  235.805   15.112  704.480   88.519  803.798  138.042  635.120  115.358  249.886   22.358  222.314   21.029 27.57179 30.69369 
1 1 1   19    0    7 o  156.919   15.816  314.133   61.130  197.933  100.715  381.913   76.920  120.804   32.621  172.651   18.111 -51.84679 37.31126 
1 1 1   19    0    8 o  239.972   16.435  731.638   97.892  575.188  147.505  854.779  130.864  208.669   29.099  258.299   20.456 -49.63080 35.56965 
1 1 1   19    0    9 o   82.715   14.174   88.627   28.224   74.689   42.667   99.471   37.635   75.536   21.557   87.035   17.913 -11.49950 28.02863 
1 1 1   19    0   10 o  100.671   12.474  129.420   30.688  120.617   46.700  136.111   40.712   95.593   20.196  102.486   16.465 -6.893074 26.05740 
1 1 1   19    0   11 o  295.156   11.946  1095.63   88.048  1051.67  127.051  1136.24  122.132  287.395   17.791  299.193   16.409 -11.79843 24.20255 
1 1 1   19    0   12 o  306.827   12.095  1184.42   92.669  1197.89  133.769  1171.99  128.497  306.817   17.532  303.637   17.015 3.179596 24.43137 
1 1 1   19    0   13 o  220.617   10.770  611.493   59.335  522.495   87.378  687.651   80.829  202.198   17.477  233.060   13.952 -30.86223 22.36328 
1 1 1   19    0   14 o  234.739   11.070  692.676   64.888  690.074   96.300  694.840   87.818  232.734   16.680  233.957   15.112 -1.222977 22.50798 
1 1 1   19    0   15 o  280.506   11.445  989.845   80.168  998.087  117.649  982.701  109.535  279.951   16.908  278.110   15.838 1.840240 23.16717 
1 1 1   19    0   16 o  340.145   12.525  1458.32  106.391  1499.56  154.818  1421.42  146.449  342.700   18.155  333.838   17.630 8.862457 25.30662 
1 1 1   19    0   17 o  346.930   12.833  1518.80  111.177  1492.44  161.298  1542.65  153.452  341.280   19.002  347.558   17.740 -6.277527 25.99537 
1 1 1   19    0   18 o  355.862   13.078  1600.13  116.215  1497.02  168.306  1694.10  160.665  341.057   19.847  364.392   17.656 -23.33469 26.56440 
1 1 1   19    0   19 o  107.439   12.495  147.755   32.897   89.228   52.140  186.459   42.401   81.851   23.972  120.430   14.384 -38.57965 27.95588 
1 1 1   19    0   20 o  150.182   14.415  289.180   53.399  238.061   75.391  340.640   75.643  133.208   23.524  161.611   19.114 -28.40344 30.31044 
1 1 1   19    0   21 o   72.761   19.094   70.940   35.130   13.646   50.692  123.885   48.730   54.673   22.663   95.848   20.945 -41.17455 30.85896 
1 1 1   19    0   22 o  164.884   10.934  345.432   44.767  287.950   69.405  386.383   58.581  147.742   19.271  173.622   13.621 -25.87956 23.59867 
1 1 1   19    0   23 o  107.132   12.444  147.963   32.670  130.757   52.202  159.041   41.888   97.648   21.943  110.160   15.669 -12.51128 26.96264 
1 1 1   19    0   24 o   37.955   15.768   5.5592   24.619 -23.0433   38.183   25.909   32.207   38.526   17.637   50.261   18.899 -11.73484 25.85033 
1 1 1   19    0   25 o  318.457   17.850  1336.11  141.381   0.0000   0.0000  1336.11  141.381  ?   ?   318.457   17.850 0.000000 17.85021 
1 1 1   19    0   26 o   49.834   19.745   21.087   36.533   21.087   36.533   0.0000   0.0000   49.834   19.745  ?   ?  0.000000 19.74537 
1 1 1   19    0   27 o   62.076   17.173   52.597   27.519   49.354   38.377   56.028   39.482   61.504   20.908   64.589   21.192 -3.084763 29.76997 
1 1 1   19    0   28 o   70.673   23.654   68.973   49.114  171.528  132.306   52.582   52.894  102.036   38.317   65.320   24.286 36.71565 45.36547 
1 1 1   19    0   29 f   64.587   17.902   57.910   29.874   43.725   35.871   90.015   53.967   58.107   20.196   78.566   24.685 -20.45876 31.89428 
1 1 1   19    0   30 o   50.968   17.091   33.825   25.640   31.652   31.102   38.435   45.298   51.314   18.700   57.954   22.266 -6.639854 29.07714 
1 1 1   19    0   31 o  103.246   14.371  143.454   36.047  170.557   46.661  103.336   56.770  110.981   17.409   82.127   25.239 28.85335 30.66095 
1 1 1   19    1    0 o  254.604   17.011  823.124  107.535  541.152  158.650  1062.77  146.259  201.321   32.678  288.442   20.438 -87.12071 38.54278 
1 1 1   19    1    1 o  215.385   15.588  588.371   83.276  523.877  129.798  633.493  108.567  200.152   26.630  222.519   19.743 -22.36705 33.15031 
1 1 1   19    1    2 o   93.898   14.617  113.688   33.160   78.900   45.921  151.593   47.934   77.742   22.419  107.931   18.447 -30.18861 29.03295 
1 1 1   19    1    3 o  352.542   13.007  1563.55  114.507  1451.34  162.671  1673.76  161.213  337.590   19.377  363.580   17.756 -25.99002 26.28235 
1 1 1   19    1    4 o  195.571   10.469  481.273   50.943  447.188   73.126  513.413   71.010  187.562   15.759  201.376   14.212 -13.81400 21.22063 
1 1 1   19    1    5 o  269.649   11.710  913.538   78.851  813.844  112.671  1009.23  110.387  252.842   17.962  282.294   15.721 -29.45200 23.87016 
1 1 1   19    1    6 o  262.189   11.395  863.464   74.606  799.340  107.083  923.953  104.003  250.746   17.206  270.108   15.484 -19.36263 23.14690 
1 1 1   19    1    7 o  163.137   12.477  336.627   50.446  355.667  101.645  330.405   58.107  164.521   25.571  161.232   14.590 3.288727 29.44065 
1 1 1   19    1    8 o  227.838   15.125  657.947   85.568  726.549  133.378  609.963  111.549  237.315   22.787  217.889   20.752 19.42662 30.82009 
1 1 1   19    1    9 o  141.951   16.455  258.126   57.248  101.124   96.650  342.984   71.055   93.003   33.083  163.610   17.672 -70.60764 37.50707 
1 1 1   19    1   10 o  167.931   15.712  359.336   65.122  263.128  107.129  415.723   82.014  139.284   31.534  180.076   18.501 -40.79205 36.56067 
1 1 1   19    1   11 o  182.155   15.872  422.512   71.475  340.932  117.435  470.514   90.082  159.205   30.651  191.503   19.091 -32.29773 36.11040 
1 1 1   19    1   12 o  201.745   15.602  517.411   77.989  521.159  127.547  515.173   98.561  199.318   26.265  200.177   19.984 -0.8593597 33.00337 
1 1 1   19    1   13 o  232.973   10.866  681.849   63.213  687.075   92.367  677.246   86.697  232.508   16.006  231.054   15.109 1.454849 22.01074 
1 1 1   19    1   14 o   80.280   14.948   83.975   28.865   69.453   45.181   93.990   37.521   73.432   22.507   84.430   18.322 -10.99837 29.02229 
1 1 1   19    1   15 o  178.372   10.735  401.210   47.592  391.534   72.063  408.695   63.380  174.979   16.695  179.365   14.268 -4.386566 21.96128 
1 1 1   19    1   16 o  320.065   12.344  1290.32   98.658  1225.66  143.145  1348.83  136.165  309.714   18.594  325.622   16.803 -15.90875 25.06164 
1 1 1   19    1   17 o  325.831   12.347  1337.88  100.464  1238.64  145.857  1427.46  138.577  311.078   18.865  335.337   16.549 -24.25916 25.09497 
1 1 1   19    1   18 o  141.565   11.289  253.869   39.577  214.312   62.439  280.436   51.169  127.882   20.225  148.292   13.983 -20.41010 24.58792 
1 1 1   19    1   19 o  103.288   12.717  136.693   32.109  130.805   52.137  140.291   40.754   98.900   21.706  103.858   16.246 -4.958366 27.11275 
1 1 1   19    1   20 o  277.796   11.526  973.658   79.955  953.571  118.436  990.479  108.379  272.559   17.493  278.557   15.644 -5.998871 23.46793 
1 1 1   19    1   21 o   68.763   16.238   62.773   27.437   34.965   45.311   78.872   34.477   59.295   22.390   76.862   18.237 -17.56686 28.87757 
1 1 1   19    1   22 o  206.203   14.469  544.596   74.031  518.918  104.426  570.542  104.968  198.327   21.425  208.548   20.418 -10.22119 29.59622 
1 1 1   19    1   23 f   83.222   18.108   92.935   36.563   58.811   51.375  127.959   52.047   69.164   24.162   96.811   22.025 -27.64699 32.69450 
1 1 1   19    1   24 o   38.801   15.768   8.5888   23.920   17.132   37.132   2.5280   31.275   49.207   19.769   41.136   17.472 8.071644 26.38338 
1 1 1   19    1   25 o   99.353   13.442  128.666   32.493  106.057   49.829  145.392   42.859   87.263   22.664  104.502   17.009 -17.23894 28.33622 
1 1 1   19    1   26 o   91.487   13.955  110.127   30.873  117.139   46.498  104.599   41.287   91.974   20.740   87.261   19.445 4.713074 28.42959 
1 1 1   19    1   27 o   39.869   16.011   11.135   24.345  -6.2378   33.527   30.512   35.409   39.522   17.424   52.968   19.836 -13.44602 26.40166 
1 1 1   19    1   28 o   32.265   14.256  -5.4416   22.570 -17.4005   29.051   12.770   35.850   33.585   15.378   46.455   19.139 -12.87054 24.55197 
1 1 1   19    1   29 o  126.241   11.915  206.879   37.119  165.352   52.043  249.877   52.957  109.121   19.829  136.990   15.768 -27.86870 25.33406 
1 1 1   19    1   30 o  174.113   19.253  416.367   82.311  428.151  166.518  412.557   94.689  150.975   42.414  170.297   22.842 -19.32161 48.17370 
1 1 1   19    1   31 o  147.656   13.278  287.247   48.436  281.403   60.812  297.389   80.106  143.596   17.308  143.116   23.209 0.4799194 28.95212 
1 1 1   19    1   32 o   38.329   15.423   11.176   22.636   17.095   26.170  -6.4128   45.112   42.733   16.781   44.717   19.934 -1.984524 26.05750 
1 1 1   19    2    0 o  464.591   15.687  2723.82  181.991  2703.35  258.033  2744.07  256.720  460.299   22.448  463.879   22.162 -3.579987 31.54475 
1 1 1   19    2    1 o  269.793   16.731  923.312  112.163   0.0000   0.0000  923.312  112.163  ?   ?   269.793   16.731 0.000000 16.73077 
1 1 1   19    2    2 o  249.732   11.175  782.963   69.690  743.235   99.087  821.850   98.034  241.998   16.495  254.768   15.483 -12.76994 22.62294 
1 1 1   19    2    3 o  203.037   10.294  518.442   52.022  518.383   75.017  518.496   72.203  202.223   14.961  202.361   14.382 -0.1380920 20.75287 
1 1 1   19    2    4 o  475.044   16.025  2849.90  190.105  2561.67  268.932  3137.78  268.766  446.553   24.207  496.128   21.694 -49.57541 32.50531 
1 1 1   19    2    5 o  277.825   11.785  969.774   81.759  853.240  116.309  1083.61  114.952  258.904   18.104  292.544   15.794 -33.64063 24.02468 
1 1 1   19    2    6 o  324.371   12.319  1322.81   99.789  1231.33  142.045  1411.95  140.218  311.135   18.363  333.708   16.881 -22.57275 24.94369 
1 1 1   19    2    7 o  247.712   10.948  770.388   67.720  662.276   96.773  874.137   94.800  228.157   17.110  262.934   14.494 -34.77699 22.42364 
1 1 1   19    2    8 o  135.208   10.806  230.943   36.181  172.856   52.699  282.737   49.762  115.260   18.969  149.253   13.497 -33.99335 23.28127 
1 1 1   19    2    9 o  210.762   10.698  559.044   56.119  492.636   80.963  620.454   77.857  196.675   16.641  221.433   14.154 -24.75761 21.84632 
1 1 1   19    2   10 o  136.660   10.735  235.894   36.340  195.978   53.529  270.017   49.493  123.111   17.939  145.768   13.760 -22.65641 22.60826 
1 1 1   19    2   11 o  250.357   11.299  787.459   70.638  702.177  101.739  866.835   98.153  234.786   17.478  261.621   15.088 -26.83421 23.08921 
1 1 1   19    2   12 o  127.590   13.337  207.223   41.867  227.774   94.256  202.172   46.730  129.838   29.713  125.647   15.202 4.191025 33.37657 
1 1 1   19    2   13 o  305.151   17.907  1185.38  135.857  1097.32  202.970  1256.86  182.862  289.359   28.458  312.068   23.641 -22.70905 36.99613 
1 1 1   19    2   14 o  283.436   17.671  1023.10  124.454  873.033  187.105  1142.19  166.672  257.135   29.684  297.741   22.585 -40.60596 37.29924 
1 1 1   19    2   15 o  276.246   17.224  971.551  118.228  892.950  179.394  1031.90  157.196  260.696   27.995  282.869   22.438 -22.17358 35.87728 
1 1 1   19    2   16 o  281.761   13.842  1001.79   97.391  912.263  122.062  1158.64  161.559  267.202   18.405  300.000   21.712 -32.79739 28.46373 
1 1 1   19    2   17 o  106.607   12.612  145.152   32.924   92.161   51.657  181.404   42.726   83.437   23.688  118.924   14.700 -35.48727 27.87873 
1 1 1   19    2   18 o  168.990   10.682  360.474   44.846  319.083   68.936  390.844   59.049  157.374   17.857  175.424   13.585 -18.04942 22.43763 
1 1 1   19    2   19 o  131.838   11.341  220.445   36.974  207.087   58.677  229.242   47.617  125.904   19.276  133.823   14.480 -7.919212 24.10910 
1 1 1   19    2   20 o  261.429   11.375  861.387   74.260  804.063  110.676  908.324  100.149  250.301   17.823  267.113   15.076 -16.81248 23.34408 
1 1 1   19    2   21 o  144.158   11.026  263.528   39.390  222.833   61.837  291.316   51.098  130.256   19.619  151.005   13.700 -20.74927 23.92925 
1 1 1   19    2   22 o  347.767   12.589  1532.11  109.326  1496.37  160.293  1563.19  149.491  340.133   18.947  349.137   17.146 -9.003296 25.55361 
1 1 1   19    2   23 o   73.326   15.446   71.254   27.391   85.840   45.500   62.964   34.303   79.642   22.100   68.676   19.236 10.96648 29.29855 
1 1 1   19    2   24 o  110.657   16.470  160.892   44.125   0.0000   0.0000  160.892   44.125  ?   ?   110.657   16.470 0.000000 16.47024 
1 1 1   19    2   25 f  112.395   22.190  173.110   60.071  173.110   60.071   0.0000   0.0000  112.395   22.190  ?   ?  0.000000 22.19034 
1 1 1   19    2   26 o   43.423   16.497   18.205   24.691   24.513   37.075   13.177   33.098   51.603   20.056   45.636   18.547 5.967274 27.31752 
1 1 1   19    2   27 o  251.872   10.947  808.519   68.853  766.587  103.106  842.270   92.502  241.144   17.236  254.698   14.605 -13.55348 22.59121 
1 1 1   19    2   28 o  100.620   12.880  132.299   31.621  110.588   45.269  152.987   44.189   88.944   20.760  106.617   17.181 -17.67315 26.94730 
1 1 1   19    2   29 f  104.882   12.833  143.893   32.910  106.215   45.601  184.852   47.545   86.694   21.232  117.380   16.690 -30.68514 27.00702 
1 1 1   19    2   30 o  112.854   12.776  166.734   35.370  180.369   48.826  151.678   51.308  115.225   17.521  103.983   20.488 11.24174 26.95818 
1 1 1   19    2   31 o  162.377   11.287  341.189   45.483  316.692   63.063  367.746   65.661  153.243   16.752  165.711   16.069 -12.46735 23.21340 
1 1 1   19    2   32 o   65.783   23.939   58.259   50.941 -15.3820  153.984   67.309   53.981   73.437   34.244   69.322   24.717 4.114555 42.23258 
1 1 1   19    2   33 o  102.880   14.922  143.678   37.218  154.059   45.187  121.779   65.629  104.856   17.900   87.388   27.184 17.46804 32.54768 
1 1 1   19    3    0 o  168.443   11.429  357.878   47.791  322.240   81.610  376.477   58.957  157.780   21.254  172.393   13.811 -14.61314 25.34681 
1 1 1   19    3    1 f  295.062   16.464  1103.13  120.829  1103.13  120.829   0.0000   0.0000  295.062   16.464  ?   ?  0.000000 16.46431 
1 1 1   19    3    2 f  174.068   9.9941  381.202   43.260  393.744   62.742  369.835   59.727  176.217   14.383  170.794   14.131 5.423691 20.16351 
1 1 1   19    3    3 o  105.699   11.522  141.943   29.919  128.703   44.077  153.256   40.744   99.258   18.462  109.189   15.368 -9.930565 24.02147 
1 1 1   19    3    4 o  401.984   14.016  2035.14  140.699  1941.20  199.439  2128.22  198.520  390.164   20.542  409.458   19.415 -19.29330 28.26538 
1 1 1   19    3    5 o  125.636   10.477  199.401   32.571  197.688   47.719  200.896   44.567  124.188   15.741  125.448   14.493 -1.260223 21.39666 
1 1 1   19    3    6 o  271.977   11.118  928.744   75.507  912.714  108.013  944.065  105.595  268.316   16.196  273.061   15.550 -4.744904 22.45289 
1 1 1   19    3    7 o  309.546   11.764  1203.93   90.932  1159.92  129.828  1246.32  127.401  302.268   17.272  313.630   16.323 -11.36163 23.76462 
1 1 1   19    3    8 o  217.880   10.648  595.827   57.934  546.570   83.428  641.700   80.512  207.354   16.242  225.182   14.393 -17.82852 21.70153 
1 1 1   19    3    9 o  198.956   10.233  497.945   50.668  478.274   73.313  515.932   70.104  194.086   15.249  201.884   13.992 -7.798019 20.69571 
1 1 1   19    3   10 o  170.863   10.414  367.726   44.222  310.723   64.451  418.435   60.789  155.843   16.828  181.797   13.486 -25.95383 21.56565 
1 1 1   19    3   11 o  204.988   10.693  528.942   54.549  462.489   79.128  589.123   75.302  190.465   16.809  215.754   14.053 -25.28848 21.90969 
1 1 1   19    3   12 o  204.057   10.484  524.044   53.244  483.349   77.718  560.037   73.091  194.883   16.114  210.334   13.995 -15.45041 21.34353 
1 1 1   19    3   13 o   92.738   13.050  110.360   29.387   93.734   45.237  122.500   38.654   84.098   21.467   97.095   16.534 -12.99676 27.09672 
1 1 1   19    3   14 o  318.848   12.464  1279.38   99.238  1202.05  142.748  1351.72  138.057  307.021   18.708  326.216   17.006 -19.19495 25.28253 
1 1 1   19    3   15 o  140.550   11.249  249.839   39.152  224.593   59.674  268.921   51.879  131.693   18.669  145.266   14.495 -13.57292 23.63513 
1 1 1   19    3   16 o  238.089   13.395  716.820   79.319  751.342  155.348  704.646   92.250  239.563   26.406  235.479   15.779 4.084671 30.76167 
1 1 1   19    3   17 o  135.279   17.073  235.695   56.391  224.683  109.169  239.703   65.858  127.825   33.715  135.684   20.040 -7.858917 39.22163 
1 1 1   19    3   18 o  379.122   20.343  1843.14  191.890  1746.96  281.826  1926.27  262.004  362.545   31.441  383.467   27.544 -20.92133 41.79950 
1 1 1   19    3   19 o   85.843   17.093   96.852   35.353   48.230   48.745  150.812   51.351   65.595   23.478  106.963   19.959 -41.36791 30.81488 
1 1 1   19    3   20 o  208.685   10.920  549.625   56.707  528.342   85.958  566.026   75.456  203.016   17.115  210.961   14.410 -7.944534 22.37310 
1 1 1   19    3   21 o  184.691   10.802  431.066   49.603  375.731   76.106  471.932   65.403  170.482   18.156  192.598   13.688 -22.11642 22.73779 
1 1 1   19    3   22 o  156.886   10.960  311.908   42.670  235.227   66.706  365.015   55.513  133.468   20.683  169.234   13.241 -35.76694 24.55879 
1 1 1   19    3   23 o   68.726   15.902   62.727   26.750   58.457   44.879   65.080   33.314   68.058   22.607   69.822   18.723 -1.763489 29.35333 
1 1 1   19    3   24 o  126.190   13.956  205.340   43.241  154.699  123.859  212.369   46.145  106.008   37.479  128.145   14.685 -22.13631 40.25325 
1 1 1   19    3   25 o  156.115   11.015  310.352   42.666  267.203   66.019  341.301   55.912  142.014   19.100  162.847   13.882 -20.83250 23.61185 
1 1 1   19    3   26 o  127.761   11.576  209.269   36.531  198.790   56.728  216.692   47.748  121.750   19.303  128.872   15.125 -7.122131 24.52244 
1 1 1   19    3   27 o  225.829   14.585  660.872   81.810  529.167  112.234  810.185  119.502  196.477   23.331  246.658   19.562 -50.18112 30.44662 
1 1 1   19    3   28 o  128.431   12.289  213.238   38.930  177.061   59.970  239.587   51.180  112.745   22.090  134.915   15.471 -22.17027 26.96919 
1 1 1   19    3   29 o   39.842   15.728   12.784   23.098   17.934   30.619   5.9838   35.187   45.908   18.113   44.012   18.604 1.896179 25.96469 
1 1 1   19    3   30 o  155.187   11.095  309.949   42.713  271.925   61.298  345.834   59.550  142.108   17.654  162.097   14.877 -19.98943 23.08658 
1 1 1   19    3   31 o   57.935   17.000   45.765   26.201   73.513   33.190  -0.1324   42.685   72.604   18.309   45.766   19.931 26.83743 27.06426 
1 1 1   19    3   32 o   35.047   14.607   5.1447   21.223   12.034   24.827 -13.5503   40.899   40.156   16.154   41.403   18.676 -1.246975 24.69288 
1 1 1   19    3   33 o   95.057   14.665  122.060   33.692  144.632   43.100   86.598   54.023  102.097   17.537   76.153   24.780 25.94332 30.35761 
1 1 1   19    4    0 o  477.649   14.848  2875.89  177.104  2905.89  251.252  2846.26  249.682  477.851   21.055  472.886   21.144 4.965302 29.83934 
1 1 1   19    4    1 o  391.606   13.155  1929.17  128.641  2011.73  182.974  1848.47  180.894  398.484   18.388  381.794   18.973 16.68948 26.42156 
1 1 1   19    4    2 o  117.422   10.237  174.235   29.717  207.165   44.495  147.717   39.928  127.480   14.219  107.166   15.359 20.31473 20.93063 
1 1 1   19    4    3 o  236.193   11.139  700.334   65.698  617.584   93.640  780.557   92.199  220.348   17.153  248.386   14.934 -28.03836 22.74302 
1 1 1   19    4    4 o  411.508   14.267  2133.29  146.611  2056.73  207.935  2208.98  206.749  401.546   20.808  417.014   19.854 -15.46817 28.76025 
1 1 1   19    4    5 o  164.509   10.313  340.819   42.153  317.085   60.639  363.011   58.637  157.767   15.596  169.211   14.003 -11.44484 20.95969 
1 1 1   19    4    6 o  154.092   10.250  299.161   39.215  247.725   56.526  346.886   54.449  139.050   16.607  165.507   13.286 -26.45691 21.26802 
1 1 1   19    4    7 o  164.978   10.441  342.861   42.794  289.147   61.868  392.137   59.256  150.329   16.766  175.973   13.590 -25.64409 21.58207 
1 1 1   19    4    8 o  157.018   10.288  310.631   40.115  217.342   57.954  396.441   55.583  129.705   18.409  177.099   12.651 -47.39380 22.33751 
1 1 1   19    4    9 o  499.734   15.968  3154.94  199.273  3073.70  282.792  3235.06  280.848  490.143   23.104  503.235   22.349 -13.09119 32.14453 
1 1 1   19    4   10 o  126.956   10.931  203.845   34.317  164.202   50.377  238.166   46.874  112.353   18.607  136.805   13.914 -24.45267 23.23410 
1 1 1   19    4   11 o   66.902   15.243   58.720   24.897   44.883   38.433   68.725   32.682   61.550   20.923   72.238   18.142 -10.68741 27.69344 
1 1 1   19    4   12 o  190.750   10.329  457.951   49.015  397.762   71.573  511.109   67.264  176.615   16.416  201.008   13.478 -24.39383 21.24053 
1 1 1   19    4   13 o   62.596   15.979   51.417   25.062   53.888   39.153   49.701   32.620   65.682   21.070   62.444   19.122 3.238148 28.45356 
1 1 1   19    4   14 o  126.855   11.345  203.797   35.561  179.807   53.678  222.561   47.473  117.557   18.928  132.022   14.646 -14.46502 23.93266 
1 1 1   19    4   15 o  179.297   10.924  405.304   48.676  329.808   71.743  469.703   66.261  160.184   18.262  192.526   13.875 -32.34253 22.93495 
1 1 1   19    4   16 o   86.546   13.980   96.809   29.183  100.935   46.205   94.071   37.641   87.175   21.386   84.473   18.368 2.702545 28.19105 
1 1 1   19    4   17 o  124.426   11.411  196.272   35.061  201.004   54.055  192.834   46.066  124.601   17.885  122.565   15.390 2.035698 23.59534 
1 1 1   19    4   18 o  362.260   13.599  1655.71  123.018  1439.39  176.655  1859.38  171.411  334.656   21.249  382.427   17.949 -47.77014 27.81499 
1 1 1   19    4   19 o  225.526   13.199  643.804   74.008  573.878  151.309  665.793   84.850  207.029   30.153  228.930   14.924 -21.90132 33.64392 
1 1 1   19    4   20 o  182.702   16.181  426.929   73.061  493.713  132.272  397.607   87.645  192.186   28.418  175.026   20.438 17.16016 35.00391 
1 1 1   19    4   21 o  200.697   16.148  515.248   80.245  605.714  141.618  472.466   97.388  213.332   27.203  190.624   20.796 22.70807 34.24115 
1 1 1   19    4   22 o  109.130   12.176  152.223   32.617  143.226   52.525  157.870   41.612  103.597   21.022  110.389   15.524 -6.792053 26.13292 
1 1 1   19    4   23 o  101.175   13.248  131.893   32.668   99.567   58.141  146.807   39.491   85.960   25.353  106.314   15.317 -20.35371 29.62075 
1 1 1   19    4   24 o   56.183   18.818   38.820   31.084   21.932   40.795   62.197   47.996   52.838   20.888   70.057   23.384 -17.21872 31.35437 
1 1 1   19    4   25 o  177.047   10.573  397.735   46.530  362.033   72.209  423.086   60.847  166.517   17.634  181.724   13.505 -15.20760 22.21095 
1 1 1   19    4   26 o  105.255   12.367  142.889   31.885   68.541   50.078  193.579   41.350   72.312   23.874  122.294   13.780 -49.98209 27.56550 
1 1 1   19    4   27 f  118.915   11.657  181.725   34.171  162.085   53.102  195.606   44.642  109.216   20.215  122.350   14.920 -13.13393 25.12480 
1 1 1   19    4   28 o  232.144   10.791  685.892   62.555  570.799   94.027  777.281   83.787  207.421   18.342  245.345   13.731 -37.92400 22.91218 
1 1 1   19    4   29 o   30.479   14.078 -18.5339   25.099 -29.1418   28.660   16.383   51.996   30.702   14.462   54.744   22.844 -24.04209 27.03656 
1 1 1   19    4   30 o   78.618   18.207   85.172   35.040   84.864   41.113   85.991   66.990   77.774   20.775   78.776   27.587 -1.002480 34.53485 
1 1 1   19    4   31 o  140.989   11.345  256.616   39.606  236.597   55.930  276.751   56.092  132.519   17.315  144.291   15.827 -11.77164 23.45864 
1 1 1   19    4   32 o   68.317   16.401   64.295   27.626   78.403   34.877   40.535   45.262   74.773   18.721   59.063   22.360 15.71054 29.16226 
1 1 1   19    4   33 o   40.130   15.608   14.899   22.468   33.792   26.186 -37.8204   43.743   51.063   17.271   38.097   17.921 12.96647 24.88886 
1 1 1   19    4   34 o  169.202   11.869  374.202   49.834  378.337   67.226  369.157   74.250  166.885   16.341  162.964   18.577 3.921051 24.74146 
1 1 1   19    5    0 o  526.173   23.653  3541.21  310.783  3541.21  310.783   0.0000   0.0000  526.173   23.653  ?   ?  0.000000 23.65256 
1 1 1   19    5    1 o  324.850   11.437  1325.13   92.780  1303.87  131.905  1345.94  130.526  320.838   16.520  326.506   16.009 -5.667297 23.00388 
1 1 1   19    5    2 o  264.810   11.309  880.450   74.782  887.046  106.800  874.106  104.744  264.540   16.246  262.643   16.047 1.896606 22.83495 
1 1 1   19    5    3 o  405.327   13.333  2067.27  134.953  2095.48  191.817  2039.63  189.901  406.503   18.896  401.027   18.963 5.476074 26.77033 
1 1 1   19    5    4 o  251.418   10.378  792.987   65.156  796.560   93.410  789.601   90.930  250.911   14.976  249.883   14.636 1.027771 20.94044 
1 1 1   19    5    5 o  170.138   10.095  364.321   42.699  346.893   61.715  380.324   59.139  165.175   15.130  173.268   13.782 -8.092163 20.46615 
1 1 1   19    5    6 o  298.246   11.732  1117.45   87.380  1091.64  124.431  1142.56  122.735  293.309   17.062  300.266   16.431 -6.957397 23.68737 
1 1 1   19    5    7 o  138.324   10.420  241.410   35.728  224.177   51.978  256.843   49.190  132.291   16.064  142.121   14.044 -9.830032 21.33704 
1 1 1   19    5    8 o  448.179   14.809  2533.00  165.745  2530.89  235.364  2535.09  233.445  445.709   21.146  446.160   20.953 -0.4505920 29.76904 
1 1 1   19    5    9 o  324.413   11.523  1322.09   93.348  1361.28  133.535  1284.63  130.543  328.192   16.294  318.366   16.476 9.825623 23.17229 
1 1 1   19    5   10 o  202.198   9.9894  512.843   50.439  542.837   73.702  486.420   69.176  207.039   14.344  195.953   14.234 11.08595 20.20757 
1 1 1   19    5   11 o  196.304   10.346  484.894   50.537  502.129   73.426  469.381   69.663  198.965   14.886  192.388   14.609 6.577072 20.85733 
1 1 1   19    5   12 o  190.329   10.200  455.827   48.303  428.103   70.225  480.720   66.545  183.497   15.470  194.868   13.763 -11.37154 20.70612 
1 1 1   19    5   13 o  166.086   10.591  347.665   43.697  288.493   64.100  399.035   59.725  149.941   17.446  177.476   13.579 -27.53496 22.10753 
1 1 1   19    5   14 o  207.741   10.628  543.231   54.953  536.430   80.482  549.169   75.214  205.432   15.810  208.146   14.562 -2.715042 21.49443 
1 1 1   19    5   15 f  155.811   10.791  306.324   41.729  263.289   62.373  341.194   56.144  143.019   17.853  163.952   13.843 -20.93320 22.59098 
1 1 1   19    5   16 o  136.798   10.918  236.561   36.985  181.372   56.024  279.194   49.240  117.848   19.735  148.254   13.447 -30.40612 23.88062 
1 1 1   19    5   17 o  179.193   10.783  404.832   48.026  369.227   71.598  433.955   64.755  169.827   17.116  184.927   14.129 -15.09981 22.19448 
1 1 1   19    5   18 o  176.124   10.829  391.251   47.397  345.506   71.681  426.788   63.180  164.015   17.786  183.401   13.898 -19.38547 22.57254 
1 1 1   19    5   19 o  151.157   10.934  288.718   40.993  274.392   63.635  298.880   53.595  145.885   17.839  153.201   14.170 -7.315369 22.78199 
1 1 1   19    5   20 o  169.081   11.108  361.170   46.639  269.596   71.339  429.526   61.635  143.787   20.444  183.966   13.511 -40.17970 24.50523 
1 1 1   19    5   21 o  127.137   11.638  205.293   36.540  201.523   58.213  207.744   46.938  124.125   19.417  127.183   15.072 -3.058250 24.58037 
1 1 1   19    5   22 o  178.967   13.375  407.330   59.345  283.661  138.085  435.347   65.724  140.822   38.268  184.803   14.354 -43.98122 40.87166 
1 1 1   19    5   23 o   35.870   16.397 -21.0747   32.838   77.307  117.521 -29.4067   34.201   89.870   35.476   34.949   16.244 54.92037 39.01784 
1 1 1   19    5   24 o   87.799   16.572  101.728   35.002   62.696   47.907  146.422   51.264   70.368   23.357  104.667   20.346 -34.29848 30.97570 
1 1 1   19    5   25 o  119.046   11.473  181.003   33.685  129.762   53.835  213.972   43.182   97.550   22.551  128.974   13.613 -31.42419 26.34116 
1 1 1   19    5   26 o   68.195   15.861   62.112   26.501   79.582   43.143   51.525   33.585   76.565   21.617   62.719   19.436 13.84674 29.06950 
1 1 1   19    5   27 o  178.831   10.614  406.852   47.187  340.661   72.791  454.826   61.971  160.534   18.496  188.156   13.274 -27.62201 22.76640 
1 1 1   19    5   28 o  104.134   12.348  140.387   31.485  132.342   48.326  146.320   41.501   98.271   20.362  105.006   16.360 -6.734955 26.11999 
1 1 1   19    5   29 o   96.611   13.155  121.998   30.912  133.760   46.219  112.477   41.581   98.894   19.408   90.663   18.975 8.230919 27.14307 
1 1 1   19    5   30 o   70.721   15.776   67.710   27.152   38.070   37.861   99.095   38.961   56.790   20.642   84.809   18.882 -28.01881 27.97537 
1 1 1   19    5   31 o  167.185   14.426  366.143   59.638  328.136   75.236  430.399   97.826  155.016   19.895  175.539   22.859 -20.52272 30.30404 
1 1 1   19    5   32 o   52.145   18.145   33.939   28.959   21.161   31.241  111.968   77.199   47.247   18.397   86.568   29.653 -39.32040 34.89612 
1 1 1   19    5   33 o  113.259   12.228  167.819   34.034  128.779   44.513  222.762   52.806   95.866   19.262  128.219   16.905 -32.35233 25.62801 
1 1 1   19    5   34 o  102.052   13.432  138.526   33.398  134.871   42.661  144.311   53.679   98.389   18.028   99.371   22.193 -0.9822769 28.59216 
1 1 1   19    6    0 o  638.772   19.537  5180.33  311.635  5216.48  441.024  5144.28  440.414  635.643   27.784  631.107   27.945 4.535034 39.40682 
1 1 1   19    6    1 o  175.839   10.060  389.023   43.991  363.689   62.942  413.216   61.508  169.179   15.056  180.662   13.737 -11.48271 20.38086 
1 1 1   19    6    2 o  233.448   10.434  683.714   60.828  695.675   87.038  672.296   85.044  234.434   14.945  230.464   14.856 3.970276 21.07307 
1 1 1   19    6    3 o  182.876   9.1436  419.112   41.757  424.326   60.231  414.287   57.940  183.174   13.257  181.045   12.900 2.129105 18.49784 
1 1 1   19    6    4 o  145.393   10.184  266.432   36.740  244.128   52.955  287.133   51.017  138.237   15.614  150.411   13.734 -12.17401 20.79478 
1 1 1   19    6    5 o  225.664   10.702  639.066   60.310  557.947   85.979  717.636   84.618  209.488   16.571  238.247   14.289 -28.75975 21.88061 
1 1 1   19    6    6 o  200.736   10.231  506.765   51.116  450.875   73.167  560.051   71.442  188.363   15.698  210.481   13.666 -22.11722 20.81324 
1 1 1   19    6    7 o  380.610   13.263  1823.08  126.056  1764.60  178.984  1880.63  177.564  372.346   19.316  385.156   18.462 -12.80939 26.71941 
1 1 1   19    6    8 o  325.658   11.821  1332.57   96.131  1300.53  137.018  1363.63  134.906  320.150   17.202  328.047   16.521 -7.897339 23.85030 
1 1 1   19    6    9 o  240.586   10.553  726.398   63.401  718.716   90.907  733.673   88.468  238.155   15.368  240.760   14.786 -2.605042 21.32611 
1 1 1   19    6   10 o  191.782   10.651  463.050   50.807  359.653   72.807  561.194   70.934  167.626   17.659  210.686   13.554 -43.05933 22.26112 
1 1 1   19    6   11 o  251.558   11.400  794.935   71.614  627.065  102.026  957.968  100.545  221.569   18.612  275.225   14.682 -53.65613 23.70603 
1 1 1   19    6   12 o  284.999   11.399  1020.39   81.123  969.127  116.076  1069.34  113.421  276.241   16.908  290.553   15.690 -14.31198 23.06674 
1 1 1   19    6   13 o   94.832   12.508  115.043   28.897   67.829   43.584  152.080   38.602   72.611   22.077  108.877   14.563 -36.26530 26.44712 
1 1 1   19    6   14 o  277.049   11.388  964.417   78.785  900.536  113.320  1024.19  109.611  266.135   17.142  284.340   15.495 -18.20483 23.10773 
1 1 1   19    6   15 o  134.104   11.039  227.404   36.639  199.633   55.145  249.352   49.023  124.148   18.339  139.916   14.229 -15.76811 23.21195 
1 1 1   19    6   16 o  235.943   11.010  699.360   64.871  656.773   94.674  737.052   89.066  227.130   16.811  241.171   14.861 -14.04128 22.43832 
1 1 1   19    6   17 o  125.276   11.592  198.980   35.853  175.577   54.987  216.287   47.286  115.899   19.704  130.058   14.824 -14.15864 24.65797 
1 1 1   19    6   18 o  199.191   10.728  499.897   53.164  459.607   79.593  532.353   71.438  189.668   16.985  204.933   14.044 -15.26550 22.03883 
1 1 1   19    6   19 o  207.395   11.127  542.306   57.417  476.211   85.421  596.779   77.548  192.770   17.951  216.904   14.399 -24.13374 23.01247 
1 1 1   19    6   20 o  152.040   10.945  292.146   41.278  276.953   64.124  302.895   53.940  146.525   17.897  154.211   14.165 -7.686935 22.82459 
1 1 1   19    6   21 o  396.158   14.152  1984.54  139.999  1813.01  201.600  2144.31  194.565  374.948   21.623  409.724   19.016 -34.77600 28.79527 
1 1 1   19    6   22 o  233.050   11.318  684.184   65.868  488.125   98.404  843.339   88.660  193.873   20.643  257.828   13.821 -63.95479 24.84257 
1 1 1   19    6   23 o   95.273   13.226  116.968   30.617  106.647   49.435  123.391   38.996   89.023   22.288   97.081   16.687 -8.057602 27.84273 
1 1 1   19    6   24 o   42.006   16.302   14.605   24.469   5.4291   45.057   18.443   29.140   49.909   21.072   46.181   17.827 3.728844 27.60140 
1 1 1   19    6   25 o   82.013   21.453   90.979   44.439  100.754  116.952   89.330   48.042   93.709   35.831   81.281   22.764 12.42780 42.45023 
1 1 1   19    6   26 o   90.953   20.641  112.166   45.807  211.522  123.604   96.348   49.318  119.671   37.319   83.974   22.891 35.69729 43.78006 
1 1 1   19    6   27 o  138.844   11.074  245.962   38.076  234.129   60.007  253.938   49.263  132.912   18.588  140.122   14.278 -7.209702 23.43906 
1 1 1   19    6   28 o   88.432   13.462  102.298   28.789   78.771   45.060  118.527   37.424   75.819   22.307   94.366   16.481 -18.54622 27.73523 
1 1 1   19    6   29 o   42.883   16.164   18.319   23.586 -35.5717   35.140   62.503   31.818   33.964   16.003   67.755   18.352 -33.79062 24.34915 
1 1 1   19    6   30 o   71.422   15.609   68.817   27.062  106.922   39.356   34.641   37.272   88.459   18.415   55.328   20.423 33.13158 27.49979 
1 1 1   19    6   31 o   73.961   15.415   73.814   27.547   63.166   38.075   85.508   39.903   67.807   20.638   78.253   20.261 -10.44579 28.92109 
1 1 1   19    6   32 o   69.410   15.831   65.623   26.832   52.339   35.152   84.168   41.533   62.267   19.964   77.218   20.989 -14.95034 28.96670 
1 1 1   19    6   33 o  174.080   14.110  398.181   60.809  310.731   72.280  610.005  112.493  150.122   19.761  208.878   21.892 -58.75633 29.49155 
1 1 1   19    6   34 o   56.796   18.074   43.740   28.854   33.108   30.303  147.012   94.440   51.805   18.514   94.725   32.779 -42.92014 37.64604 
1 1 1   19    6   35 o   65.441   16.533   59.840   27.028   74.101   32.313   26.623   49.316   72.364   17.965   55.064   22.539 17.29995 28.82263 
1 1 1   19    7    0 o  504.102   15.385  3206.50  193.666  3268.37  274.135  3144.85  273.636  506.334   21.681  496.489   22.071 9.845245 30.93816 
1 1 1   19    7    1 o  160.002   10.384  322.515   41.267  288.147   59.107  355.202   57.643  150.239   16.001  167.383   13.917 -17.14340 21.20610 
1 1 1   19    7    2 o  175.164   10.156  386.129   44.234  393.549   63.467  379.121   61.685  176.124   14.561  172.871   14.421 3.252945 20.49342 
1 1 1   19    7    3 o  416.106   13.133  2178.43  136.461  2185.12  193.476  2171.80  192.497  415.139   18.663  413.884   18.625 1.254578 26.36657 
1 1 1   19    7    4 o  170.251   9.4315  364.445   39.941  399.053   57.930  333.086   55.144  177.615   13.154  162.082   13.754 15.53383 19.03200 
1 1 1   19    7    5 o  503.409   16.084  3200.74  202.196  3298.62  286.796  3104.00  285.108  508.230   22.598  492.727   23.171 15.50327 32.36607 
1 1 1   19    7    6 o  352.832   12.742  1565.70  112.264  1521.03  159.546  1609.50  157.996  345.897   18.538  356.523   17.746 -10.62628 25.66321 
1 1 1   19    7    7 o  376.428   12.790  1782.30  120.225  1797.20  171.009  1767.74  169.055  376.591   18.184  373.509   18.125 3.081299 25.67463 
1 1 1   19    7    8 o  288.999   11.599  1049.21   83.705  953.742  119.024  1142.62  117.739  273.946   17.490  300.422   15.749 -26.47638 23.53576 
1 1 1   19    7    9 o  133.088   10.603  223.687   34.946  178.340   50.674  264.813   48.258  117.384   17.850  144.408   13.540 -27.02401 22.40411 
1 1 1   19    7   10 o  440.332   14.935  2445.94  164.228  2384.69  232.961  2506.45  231.552  432.387   21.576  443.575   20.904 -11.18878 30.04133 
1 1 1   19    7   11 o  418.873   14.297  2211.65  149.551  2176.07  212.445  2246.59  210.560  413.399   20.579  420.246   20.064 -6.847565 28.74147 
1 1 1   19    7   12 o  169.480   9.7803  361.439   41.217  388.147   60.530  338.350   56.280  174.968   13.970  163.292   13.935 11.67641 19.73205 
1 1 1   19    7   13 o  192.127   10.151  464.428   48.527  473.894   70.691  455.993   66.735  193.271   14.759  189.679   14.192 3.591949 20.47507 
1 1 1   19    7   14 o  113.850   11.264  164.395   31.604  154.544   47.398  172.280   42.406  109.023   18.040  115.902   15.004 -6.879471 23.46426 
1 1 1   19    7   15 o  210.515   10.267  556.204   53.975  530.456   78.871  578.884   74.024  204.329   15.575  213.860   13.937 -9.530746 20.90002 
1 1 1   19    7   16 o   81.366   14.089   85.813   27.590   82.892   42.966   87.862   35.991   79.225   21.270   81.660   18.123 -2.435066 27.94390 
1 1 1   19    7   17 o  159.747   10.547  321.826   41.838  328.844   62.995  316.288   55.963  160.483   15.930  157.690   14.369 2.793243 21.45291 
1 1 1   19    7   18 o  231.592   10.997  673.981   63.598  646.878   93.706  697.129   86.598  225.344   16.772  234.464   14.867 -9.120346 22.41302 
1 1 1   19    7   19 o  195.449   10.660  481.346   51.834  438.121   77.683  516.036   69.592  185.115   16.995  201.765   13.897 -16.64906 21.95321 
1 1 1   19    7   20 o  164.089   10.654  339.782   43.421  349.838   66.788  332.420   57.145  165.338   16.392  161.605   14.308 3.732620 21.75843 
1 1 1   19    7   21 o  322.697   12.849  1313.40  103.539  1139.61  150.493  1469.60  142.673  297.696   20.366  340.138   16.797 -42.44107 26.39932 
1 1 1   19    7   22 o  226.744   14.753  653.870   83.081   0.0000   0.0000  653.870   83.081  ?   ?   226.744   14.753 0.000000 14.75326 
1 1 1   19    7   23 o  249.463   17.043  797.060  105.532  797.060  105.532   0.0000   0.0000  249.463   17.043  ?   ?  0.000000 17.04255 
1 1 1   19    7   24 o  133.754   11.073  227.136   36.654  175.296   58.290  261.039   47.140  114.757   21.119  142.944   13.361 -28.18620 24.99039 
1 1 1   19    7   25 o  164.508   10.740  342.953   43.879  293.943   68.660  376.789   57.049  149.945   18.746  171.784   13.405 -21.83847 23.04593 
1 1 1   19    7   26 o   47.691   16.331   27.025   23.415  -0.6126   40.214   41.201   28.800   45.520   19.584   56.806   18.055 -11.28625 26.63642 
1 1 1   19    7   27 o   53.073   18.152   34.097   28.930  101.491  117.746   29.767   29.845   92.733   35.825   51.286   18.369 41.44633 40.25992 
1 1 1   19    7   28 o  188.073   17.025  462.435   79.089  519.729  152.904  441.507   92.412  188.154   33.785  181.806   20.725 6.348221 39.63500 
1 1 1   19    7   29 o  129.711   13.149  217.680   42.004  162.338   55.879  289.575   63.689  108.706   21.346  147.920   17.587 -39.21439 27.65793 
1 1 1   19    7   30 o   62.420   16.111   52.664   25.283   51.391   37.453   53.730   34.269   62.645   20.645   63.320   19.634 -0.6755486 28.49056 
1 1 1   19    7   31 o   71.747   15.214   69.320   26.413   52.349   37.092   86.778   37.621   62.835   20.537   79.225   19.214 -16.38971 28.12378 
1 1 1   19    7   32 o   37.196   15.155   8.1787   22.170   10.354   28.660   4.9382   34.981   41.926   17.174   43.523   18.482 -1.596447 25.22938 
1 1 1   19    7   33 o   90.676   13.787  109.052   30.235  108.790   40.425  109.385   45.550   88.506   18.867   87.831   21.044 0.6754456 28.26326 
1 1 1   19    7   34 o   71.941   15.588   70.772   27.196   74.505   34.423   64.572   44.361   72.811   18.802   68.058   22.470 4.753006 29.29855 
1 1 1   19    7   35 o  119.075   14.684  189.758   42.737  162.077   45.584  390.834  122.858  108.487   17.415  154.103   32.925 -45.61606 37.24731 
1 1 1   19    8    0 o  171.584   9.9358  370.474   42.390  390.699   60.661  351.170   59.262  175.577   13.950  166.314   14.412 9.263046 20.05754 
1 1 1   19    8    1 o   94.985   11.424  114.918   26.555  106.096   38.904  122.614   36.336   89.992   17.941   97.413   15.453 -7.421509 23.67863 
1 1 1   19    8    2 o  235.554   10.390  696.166   61.118  695.924   87.016  696.401   85.863  234.447   14.941  234.572   14.733 -0.1249390 20.98312 
1 1 1   19    8    3 o   86.895   11.789   96.572   24.921   76.749   36.147  114.530   34.404   76.305   19.033   94.141   15.149 -17.83616 24.32597 
1 1 1   19    8    4 o  109.682   10.477  152.305   28.348  158.775   41.298  146.540   38.983  111.178   15.279  106.777   15.036 4.400414 21.43688 
1 1 1   19    8    5 o  236.682   10.214  702.737   60.372  699.697   86.173  705.668   84.605  235.124   14.751  236.201   14.413 -1.076401 20.62345 
1 1 1   19    8    6 o   89.071   11.860  101.414   25.725  116.907   38.193   88.548   34.804   94.810   16.744   82.127   17.506 12.68293 24.22402 
1 1 1   19    8    7 o  236.921   10.520  704.384   62.239  729.721   89.211  680.357   86.874  240.082   14.954  231.757   15.093 8.325500 21.24703 
1 1 1   19    8    8 o  328.185   12.209  1353.97  100.060  1351.67  142.527  1356.20  140.505  326.277   17.557  326.912   17.273 -0.6349487 24.62936 
1 1 1   19    8    9 o  423.166   14.206  2256.66  150.122  2248.31  213.112  2264.89  211.505  420.367   20.302  422.003   20.070 -1.636719 28.54771 
1 1 1   19    8   10 o  350.344   12.867  1544.32  112.573  1455.93  159.892  1631.20  158.520  338.139   19.013  358.846   17.690 -20.70694 25.96957 
1 1 1   19    8   11 f  356.951   13.167  1603.80  117.370  1441.27  166.611  1763.93  165.369  336.076   19.942  373.119   17.748 -37.04291 26.69588 
1 1 1   19    8   12 o  194.072   10.015  473.738   48.371  444.648   69.732  500.718   67.155  187.128   15.050  198.937   13.600 -11.80899 20.28413 
1 1 1   19    8   13 o   89.791   12.769  103.432   27.825   72.215   40.354  131.728   38.420   74.250   20.887  100.960   15.753 -26.71017 26.16143 
1 1 1   19    8   14 o  344.904   15.399  1502.31  132.628  1433.48  162.106  1641.67  230.657  335.254   19.447  355.921   26.134 -20.66766 32.57563 
1 1 1   19    8   15 o   61.855   15.691   50.201   24.275   63.801   38.244   41.026   31.414   70.103   20.530   57.849   18.900 12.25336 27.90480 
1 1 1   19    8   16 o  195.190   10.486  479.671   50.925  478.940   74.952  480.298   69.405  194.075   15.597  194.613   14.383 -0.5379486 21.21692 
1 1 1   19    8   17 o  221.295   10.512  614.902   58.091  638.277   85.458  594.823   79.204  224.245   15.353  216.583   14.732 7.661377 21.27800 
1 1 1   19    8   18 o  202.825   10.444  517.930   52.717  558.890   78.705  484.601   70.996  209.789   15.125  195.377   14.658 14.41170 21.06250 
1 1 1   19    8   19 o  225.195   10.858  637.237   61.058  568.405   90.082  695.734   83.045  211.000   17.247  234.348   14.258 -23.34796 22.37791 
1 1 1   19    8   20 o  150.871   10.938  287.596   40.928  275.372   63.210  296.421   53.707  146.219   17.670  152.562   14.263 -6.342545 22.70778 
1 1 1   19    8   21 o  214.941   11.280  582.800   60.332  443.359   90.213  695.631   81.150  185.297   19.803  234.278   13.934 -48.98141 24.21375 
1 1 1   19    8   22 o  246.290   11.364  763.685   69.891  624.572  102.986  882.455   95.159  220.382   18.896  263.684   14.507 -43.30202 23.82282 
1 1 1   19    8   23 o  187.849   10.659  445.519   49.793  388.562   76.632  487.137   65.506  173.588   17.937  195.825   13.478 -22.23613 22.43614 
1 1 1   19    8   24 o  118.521   11.486  178.824   33.569  156.119   54.232  192.926   42.741  108.321   20.805  122.545   14.232 -14.22402 25.20726 
1 1 1   19    8   25 o  215.466   10.619  585.474   57.137  488.356   87.342  658.126   75.544  194.146   18.229  227.414   13.361 -33.26877 22.60108 
1 1 1   19    8   26 o  114.261   11.448  166.736   32.226  144.235   52.955  179.971   40.612  103.466   21.208  118.113   14.045 -14.64655 25.43668 
1 1 1   19    8   27 o  125.381   11.016  200.460   34.140  192.603   55.431  205.262   43.335  120.442   19.065  126.094   13.999 -5.652565 23.65233 
1 1 1   19    8   28 o  166.160   10.985  351.564   45.324  221.492   71.017  440.957   58.874  127.210   23.211  185.559   12.783 -58.34984 26.49854 
1 1 1   19    8   29 o   59.507   16.518   47.392   25.414   39.827   41.602   51.896   32.099   59.090   21.614   62.449   18.937 -3.358425 28.73594 
1 1 1   19    8   30 o   70.236   21.926   66.884   42.655 -31.4312  131.775   78.391   45.083   72.303   32.971   75.353   22.351 -3.050819 39.83310 
1 1 1   19    8   31 o   38.037   17.087 -12.7452   33.826 -80.9464  133.408  -8.0593   34.969   66.759   31.369   39.958   17.696 26.80106 36.01616 
1 1 1   19    8   32 f   87.466   13.506  100.910   28.549   84.034   40.122  118.219   40.632   77.567   20.430   93.052   18.138 -15.48463 27.31964 
1 1 1   19    8   33 o   85.078   13.801   96.078   28.316   99.268   38.170   92.174   42.225   84.720   18.555   80.832   20.798 3.888412 27.87250 
1 1 1   19    8   34 o  122.865   11.804  196.173   35.769  159.030   48.498  240.480   52.968  107.343   18.776  133.995   16.156 -26.65201 24.77008 
1 1 1   19    8   35 o   70.729   15.465   68.568   26.554   70.471   32.995   65.069   44.736   70.766   18.473   68.067   22.569 2.699348 29.16547 
1 1 1   19    8   36 o   50.348   16.102   33.893   22.880   30.028   26.554   45.032   45.084   49.052   17.352   59.889   22.391 -10.83649 28.32801 
1 1 1   19    9    0 o  453.168   14.165  2588.11  160.302  2723.76  227.111  2453.44  226.295  462.915   19.647  438.939   20.645 23.97571 28.49935 
1 1 1   19    9    1 o  232.068   9.9019  675.490   57.384  721.819   81.698  630.377   80.618  239.010   13.746  223.143   14.547 15.86749 20.01440 
1 1 1   19    9    2 o  439.905   14.866  2440.81  163.303  2357.61  230.773  2524.26  231.118  429.989   21.492  445.226   20.788 -15.23660 29.90027 
1 1 1   19    9    3 o  129.238   10.197  210.823   32.640  207.704   46.758  213.788   45.585  127.476   14.974  129.473   14.340 -1.997284 20.73264 
1 1 1   19    9    4 o  240.541   10.569  726.131   63.488  691.797   89.934  760.238   89.637  233.606   15.505  245.115   14.712 -11.50885 21.37408 
1 1 1   19    9    5 o  233.462   10.248  683.813   59.747  684.821   84.947  682.826   84.049  232.597   14.700  232.286   14.563 0.3115997 20.69292 
1 1 1   19    9    6 o  268.786   11.416  907.447   76.627  883.423  108.794  931.098  107.946  263.832   16.598  271.031   16.020 -7.198547 23.06796 
1 1 1   19    9    7 o   98.283   10.677  122.647   25.783  129.047   38.000  117.187   35.099   99.923   15.750   95.215   15.279 4.708107 21.94330 
1 1 1   19    9    8 o  303.850   11.957  1160.38   90.729  1134.17  129.200  1185.87  127.438  298.825   17.389  305.766   16.754 -6.941040 24.14697 
1 1 1   19    9    9 o  304.242   11.450  1162.78   86.993  1192.35  124.234  1134.33  121.852  306.724   16.278  299.121   16.375 7.602478 23.08944 
1 1 1   19    9   10 o  379.776   18.744  1830.44  177.763  1689.83  246.827  1981.95  256.226  360.561   27.624  391.298   26.376 -30.73669 38.19357 
1 1 1   19    9   11 o  544.139   24.766  3803.76  336.525  3457.62  472.017  4161.59  479.919  508.611   37.427  560.993   34.424 -52.38235 50.85071 
1 1 1   19    9   12 f  222.009   14.494  624.101   79.915  530.841  106.207  745.812  121.330  202.990   21.268  241.242   20.330 -38.25291 29.42146 
1 1 1   19    9   13 o   73.207   19.288   70.549   35.754   49.786   42.398  121.665   66.526   64.688   21.976   95.673   26.784 -30.98513 34.64602 
1 1 1   19    9   14 o  344.651   17.800  1509.65  152.673  1397.43  211.532  1631.67  220.576  328.293   26.016  355.366   25.016 -27.07300 36.09147 
1 1 1   19    9   15 o  281.840   16.049  1007.43  112.484  916.517  153.795  1112.00  164.942  266.461   23.349  293.957   22.644 -27.49539 32.52557 
1 1 1   19    9   16 o  188.568   14.356  451.042   67.093  371.324   88.258  560.184  103.270  169.297   21.351  208.833   20.049 -39.53523 29.28878 
1 1 1   19    9   17 o   76.759   19.954   77.818   38.602   37.300   47.159  160.098   67.202   61.355   22.908  109.415   25.126 -48.05996 34.00127 
1 1 1   19    9   18 o  315.185   17.244  1263.18  135.210  1239.64  187.577  1288.65  195.077  309.417   24.476  315.277   24.982 -5.859863 34.97431 
1 1 1   19    9   19 o  233.672   15.352  693.239   89.082  690.570  121.804  696.307  130.619  231.464   21.313  231.896   22.853 -0.4323730 31.24889 
1 1 1   19    9   20 o   90.045   19.277  107.111   42.037  147.250   55.067   51.051   65.078  105.411   21.644   71.467   26.866 33.94462 34.50040 
1 1 1   19    9   21 o  181.873   14.373  420.521   64.748   0.0000   0.0000  420.521   64.748  ?   ?   181.873   14.373 0.000000 14.37345 
1 1 1   19    9   22 o  159.286   16.595  325.561   65.040  325.561   65.040   0.0000   0.0000  159.286   16.595  ?   ?  0.000000 16.59498 
1 1 1   19    9   23 o   90.176   12.979  104.730   28.386   69.831   45.965  126.243   36.090   73.437   22.734   98.700   15.124 -25.26298 27.30556 
1 1 1   19    9   24 o  125.367   11.182  199.626   34.638  159.181   55.773  225.021   44.194  109.358   21.188  132.668   13.529 -23.30984 25.13928 
1 1 1   19    9   25 o  270.868   11.145  925.784   75.386  896.246  113.313  949.239  100.975  264.059   17.279  272.782   14.880 -8.722473 22.80309 
1 1 1   19    9   26 o   99.130   12.130  126.197   29.400  131.137   49.198  123.453   36.667   98.808   20.606   97.163   15.643 1.644318 25.87117 
1 1 1   19    9   27 o   41.616   15.576   17.010   21.829   8.1853   37.708   21.457   26.770   46.745   19.475   46.231   17.260 0.5141411 26.02307 
1 1 1   19    9   28 o   46.541   16.045   25.650   22.619  -4.6040   38.049   42.185   28.130   43.075   18.786   57.054   17.805 -13.97913 25.88333 
1 1 1   19    9   29 o  159.992   10.806  326.218   42.919  239.292   67.701  384.627   55.496  133.046   21.080  173.053   12.936 -40.00752 24.73228 
1 1 1   19    9   30 o   86.831   13.380   98.808   28.079   39.963   44.056  139.064   36.439   59.731   22.174  102.927   14.585 -43.19674 26.54041 
1 1 1   19    9   31 o  102.547   12.098  136.298   30.385  109.915   46.076  156.599   40.419   88.882   21.079  108.905   15.283 -20.02282 26.03621 
1 1 1   19    9   32 o   82.120   19.028   93.032   38.257 -35.0247  143.592  102.816   39.691   73.731   33.918   86.446   18.912 -12.71519 38.83460 
1 1 1   19    9   33 o   76.748   22.661   83.248   46.428   61.858  151.969   85.450   48.759   86.285   37.591   77.641   23.294 8.644012 44.22295 
1 1 1   19    9   34 o   81.893   14.271   89.685   28.124   79.766   37.070  103.137   43.169   75.417   19.529   85.463   20.493 -10.04639 28.30777 
1 1 1   19    9   35 o  170.510   11.062  375.334   46.847  336.221   65.719  415.739   66.796  157.923   16.928  176.934   15.267 -19.01067 22.79614 
1 1 1   19    9   36 o  103.637   12.591  141.692   31.916  105.204   40.382  202.412   52.092   86.093   19.265  121.259   17.727 -35.16610 26.17937 
1 1 1   19   10    0 o  373.912   13.674  1761.28  127.681  1654.99  180.448  1867.85  180.690  360.061   20.150  383.525   18.866 -23.46405 27.60358 
1 1 1   19   10    1 o  284.457   11.692  1016.85   83.052  981.434  117.296  1052.47  117.611  277.971   16.979  288.045   16.419 -10.07440 23.61931 
1 1 1   19   10    2 o  349.344   13.325  1536.54  116.240  1410.65  163.938  1663.83  164.842  332.497   19.835  361.756   18.307 -29.25909 26.99178 
1 1 1   19   10    3 o  214.660   10.354  578.230   55.504  584.335   78.839  572.231   78.154  214.740   14.792  212.488   14.822 2.252197 20.94020 
1 1 1   19   10    4 o  415.786   13.227  2176.17  137.336  2191.19  194.348  2161.19  194.098  415.530   18.730  412.637   18.837 2.892944 26.56337 
1 1 1   19   10    5 o  201.644   10.945  511.997   54.907  500.651   77.889  523.204   77.412  198.474   15.848  203.024   15.383 -4.549957 22.08603 
1 1 1   19   10    6 o  387.990   13.406  1895.34  129.888  1904.74  183.986  1885.99  183.393  387.324   19.022  385.403   19.055 1.921295 26.92491 
1 1 1   19   10    7 o  249.347   10.422  780.236   64.896  776.014   92.452  784.336   91.115  247.559   15.026  248.956   14.721 -1.396790 21.03584 
1 1 1   19   10    8 o  201.913   10.186  512.790   51.192  449.182   72.992  574.365   71.815  187.958   15.695  213.141   13.563 -25.18376 20.74331 
1 1 1   19   10    9 o  107.621   16.009  149.430   41.713  157.999   51.417  132.932   71.345  109.970   19.434   99.844   27.662 10.12637 33.80619 
1 1 1   19   10   10 o  466.504   21.395  2776.06  249.239  2424.79  347.676  3147.42  357.483  428.914   32.707  491.460   29.261 -62.54538 43.88553 
1 1 1   19   10   11 o  216.364   14.756  593.210   79.253  573.986  105.840  617.747  119.575  211.434   20.295  218.843   22.187 -7.409027 30.06928 
1 1 1   19   10   12 o  238.504   15.301  721.041   90.648  721.910  122.530  719.989  134.726  237.128   20.906  236.086   23.150 1.041885 31.19305 
1 1 1   19   10   13 o  238.476   12.035  716.812   71.442  652.856  119.747  752.157   89.020  225.202   21.557  243.748   14.694 -18.54546 26.08811 
1 1 1   19   10   14 o  302.141   11.419  1147.05   86.157  1129.69  123.609  1163.44  120.154  298.345   16.658  302.988   15.936 -4.643280 23.05320 
1 1 1   19   10   15 o  318.121   12.327  1273.02   97.923  1152.02  139.893  1389.27  137.118  300.621   18.728  330.921   16.646 -30.30035 25.05637 
1 1 1   19   10   16 f  221.024   10.533  613.334   58.134  536.044   84.069  684.161   80.478  205.164   16.550  232.556   13.922 -27.39201 21.62668 
1 1 1   19   10   17 o  103.050   12.262  135.447   30.934   76.803   46.642  181.497   41.332   76.788   22.725  119.146   14.170 -42.35770 26.78048 
1 1 1   19   10   18 o  125.553   11.520  199.814   35.716  157.984   54.070  232.191   47.571  109.618   20.507  134.912   14.340 -25.29356 25.02303 
1 1 1   19   10   19 o  312.018   12.493  1225.71   97.340  1142.74  140.842  1301.58  134.684  299.102   18.955  320.003   16.914 -20.90137 25.40417 
1 1 1   19   10   20 o   41.560   17.928  -2.9002   33.885   2.1855   41.696 -12.7913   58.149   47.587   20.191   52.382   23.025 -4.794838 30.62345 
1 1 1   19   10   21 o  259.529   15.950  856.469  102.868  854.197  141.708  858.999  149.566  256.993   22.302  257.216   23.547 -0.2229614 32.43208 
1 1 1   19   10   22 o  150.576   14.865  289.621   55.164  251.191   73.695  338.596   83.195  138.206   22.097  161.196   21.180 -22.99028 30.60891 
1 1 1   19   10   23 o  105.397   16.714  144.552   42.522  141.363   56.688  148.655   64.300  102.763   22.696  104.961   24.907 -2.198555 33.69666 
1 1 1   19   10   24 o  102.216   16.572  136.273   40.853  128.100   55.107  146.245   60.870   97.549   22.997  104.109   23.916 -6.560509 33.17947 
1 1 1   19   10   25 o  200.647   10.864  509.005   54.234  408.917   83.909  580.815   71.074  177.336   19.257  213.706   13.386 -36.37061 23.45266 
1 1 1   19   10   26 o   59.292   15.733   46.486   23.680   33.201   40.729   53.270   29.105   56.968   21.286   63.458   17.699 -6.490112 27.68257 
1 1 1   19   10   27 o   91.179   12.764  107.504   28.265   43.358   47.227  143.306   35.283   62.679   23.013  105.260   13.752 -42.58131 26.80858 
1 1 1   19   10   28 o  194.548   10.626  480.260   51.426  413.882   80.085  526.838   67.085  177.748   18.304  202.886   13.315 -25.13759 22.63467 
1 1 1   19   10   29 o  221.962   11.011  625.146   61.034  616.277   94.005  631.609   80.249  217.144   17.484  221.331   14.601 -4.186157 22.77947 
1 1 1   19   10   30 o   50.932   16.117   33.385   22.967   13.152   36.817   46.276   29.387   47.527   19.467   59.185   18.154 -11.65773 26.61785 
1 1 1   19   10   31 o  112.715   11.704  163.836   32.462  159.947   51.121  166.463   42.022  108.406   19.606  112.371   15.379 -3.965538 24.91781 
1 1 1   19   10   32 o   86.261   13.437   97.946   28.001   77.026   41.349  115.666   38.055   74.461   21.212   92.588   17.089 -18.12676 27.23920 
1 1 1   19   10   33 o   50.556   16.045   33.280   22.750   23.108   30.712   45.648   33.865   48.068   18.366   59.119   19.638 -11.05161 26.88778 
1 1 1   19   10   34 o  125.327   11.543  203.207   35.721  167.046   50.810  238.544   50.228  110.212   19.157  134.211   15.258 -23.99957 24.49077 
1 1 1   19   10   35 o  203.100   18.581  560.190   93.196  642.746  201.874  537.829  105.062  186.352   44.072  196.064   21.829 -9.713074 49.18197 
1 1 1   19   10   36 o   53.165   16.399   38.150   23.941   30.163   28.651   56.632   43.583   49.937   17.986   64.480   22.270 -14.54261 28.62619 
1 1 1   19   11    0 o  177.339   10.925  396.452   48.145  324.343   68.080  468.595   68.096  159.081   17.422  192.248   14.286 -33.16631 22.53087 
1 1 1   19   11    1 o  573.338   18.024  4169.40  258.059  4183.43  364.829  4155.34  365.072  569.769   25.641  567.779   25.748 1.990112 36.33804 
1 1 1   19   11    2 o  126.056   9.9511  200.578   31.070  245.934   45.062  159.475   42.897  139.165   13.122  111.257   15.892 27.90796 20.60871 
1 1 1   19   11    3 o  202.369   10.778  515.626   54.272  508.900   76.862  522.313   76.642  200.154   15.499  202.846   15.242 -2.691895 21.73767 
1 1 1   19   11    4 o  219.178   9.6948  602.508   53.063  614.125   75.167  590.968   74.917  220.372   13.727  216.114   13.956 4.257477 19.57599 
1 1 1   19   11    5 o  158.292   9.9261  315.541   39.038  318.798   55.660  312.387   54.767  158.408   14.222  156.810   14.138 1.597733 20.05386 
1 1 1   19   11    6 o  322.051   11.698  1303.43   94.076  1357.26  133.420  1250.19  132.671  327.637   16.307  313.842   16.992 13.79492 23.55082 
1 1 1   19   11    7 o  173.522   10.166  379.076   43.860  360.218   62.511  397.361   61.554  168.302   15.032  177.026   14.039 -8.723999 20.56839 
1 1 1   19   11    8 o  282.082   15.295  1007.43  107.340  830.646  144.753  1223.39  159.991  253.754   23.096  309.177   20.844 -55.42235 31.11123 
1 1 1   19   11    9 o  182.405   14.538  422.198   65.672  433.315   85.890  406.552  101.897  183.787   18.988  176.649   23.697 7.137802 30.36573 
1 1 1   19   11   10 o  430.343   21.143  2361.83  227.208  2398.61  317.728  2323.34  325.037  428.319   29.893  420.702   31.161 7.617218 43.18081 
1 1 1   19   11   11 o  256.822   12.678  829.907   81.306  811.560  137.484  839.775  100.828  251.095   22.153  257.341   15.766 -6.246307 27.19061 
1 1 1   19   11   12 o  367.637   13.370  1702.12  122.746  1697.68  174.572  1706.47  172.622  365.017   19.220  366.065   18.949 -1.048798 26.98967 
1 1 1   19   11   13 o  317.543   12.267  1268.19   97.273  1228.42  138.490  1306.91  136.659  310.757   17.922  320.818   17.120 -10.06061 24.78499 
1 1 1   19   11   14 o  369.854   13.281  1722.73  122.662  1754.95  174.622  1691.34  172.342  371.217   18.900  364.370   19.007 6.846680 26.80407 
1 1 1   19   11   15 o  278.637   11.480  975.713   79.877  923.687  114.345  1025.30  111.631  269.534   17.077  284.390   15.781 -14.85626 23.25177 
1 1 1   19   11   16 o  255.832   10.500  821.721   67.077  834.656   97.146  809.936   92.731  256.625   15.227  252.899   14.747 3.725693 21.19801 
1 1 1   19   11   17 o  280.569   11.465  989.472   80.328  947.239  115.364  1029.22  111.917  272.921   17.012  284.877   15.794 -11.95657 23.21311 
1 1 1   19   11   18 o  152.212   10.671  292.402   40.303  322.447   60.127  267.889   54.310  159.020   15.331  144.830   15.246 14.19009 21.62119 
1 1 1   19   11   19 o  406.998   14.095  2090.24  143.253  2053.11  204.568  2125.97  200.670  400.528   20.522  408.430   19.675 -7.902039 28.42968 
1 1 1   19   11   20 o   90.482   17.688  107.421   38.533   0.0000   0.0000  107.421   38.533  ?   ?    90.482   17.688 0.000000 17.68788 
1 1 1   19   11   21 o  206.205   15.965  541.782   81.567  541.782   81.567   0.0000   0.0000  206.205   15.965  ?   ?  0.000000 15.96484 
1 1 1   19   11   22 o  121.928   11.594  188.792   34.877  184.016   54.782  192.047   45.226  118.680   19.135  122.277   15.135 -3.596329 24.39710 
1 1 1   19   11   23 o  254.405   11.086  814.648   70.426  782.352  104.571  841.454   95.272  247.414   17.029  257.317   14.890 -9.902985 22.62101 
1 1 1   19   11   24 o  139.310   10.928  245.866   37.711  196.716   59.856  278.218   48.562  122.226   20.325  147.758   13.304 -25.53252 24.29149 
1 1 1   19   11   25 o  292.761   16.391  1096.45  119.353  1015.74  167.109  1180.48  170.524  277.774   24.337  300.451   22.901 -22.67715 33.41716 
1 1 1   19   11   26 f  137.494   14.276  242.802   48.303  161.916   66.416  333.626   70.378  108.871   24.962  160.262   17.891 -51.39066 30.71127 
1 1 1   19   11   27 o   69.154   18.607   63.915   32.839   41.526   44.935   89.578   48.108   61.369   22.460   81.341   22.779 -19.97213 31.98977 
1 1 1   19   11   28 o  144.761   14.010  269.840   50.012  227.025   70.242  313.861   71.224  129.569   22.527  154.432   18.861 -24.86279 29.38013 
1 1 1   19   11   29 o  181.574   10.851  419.345   48.975  297.627   76.583  503.566   63.704  148.901   21.194  198.293   12.936 -49.39114 24.82995 
1 1 1   19   11   30 o   62.058   15.558   51.661   24.065   61.668   39.811   45.899   30.210   67.928   21.179   59.145   18.451 8.782864 28.08850 
1 1 1   19   11   31 o   59.190   15.702   47.081   23.591   44.970   37.559   48.457   30.318   59.946   20.676   60.341   18.428 -0.3954582 27.69586 
1 1 1   19   11   32 o  118.000   11.387  179.318   33.136  180.672   51.098  178.336   43.529  115.797   18.277  116.256   15.371 -0.4583130 23.88128 
1 1 1   19   11   33 o   86.305   13.287   98.080   27.718  116.723   40.760   82.042   37.805   92.435   18.306   76.887   19.624 15.54784 26.83627 
1 1 1   19   11   34 o  158.804   11.066  324.221   43.611  311.247   64.445  335.182   59.234  152.528   17.221  159.575   15.042 -7.047211 22.86557 
1 1 1   19   11   35 o   86.492   13.859   99.541   28.922  116.218   39.098   79.384   42.982   92.019   17.657   74.735   21.730 17.28376 27.99902 
1 1 1   19   11   36 o   78.876   14.215   83.730   26.970   81.281   34.634   87.503   42.986   76.116   18.420   77.958   21.421 -1.841789 28.25162 
1 1 1   19   11   37 o   52.503   20.504   28.790   38.892   40.639  189.806   28.271   39.735   83.436   38.601   52.596   20.671 30.84001 43.78711 
1 1 1   19   12    0 o  120.059   13.754  184.009   40.491  183.160   46.090  186.882   84.759  119.350   15.857  117.599   29.036 1.751732 33.08369 
1 1 1   19   12    1 o  302.595   11.352  1150.68   85.782  1156.14  121.187  1145.19  121.441  301.908   16.133  300.438   16.247 1.469971 22.89607 
1 1 1   19   12    2 o  155.686   9.9156  305.332   38.349  318.526   54.490  292.384   53.980  158.365   13.920  151.576   14.436 6.789215 20.05377 
1 1 1   19   12    3 o  253.100   11.330  804.923   71.609  805.357  101.290  804.489  101.251  251.842   16.192  251.705   16.195 0.1371155 22.90061 
1 1 1   19   12    4 o  116.040   10.282  170.305   29.485  162.234   42.379  177.876   41.048  112.301   15.527  117.945   14.224 -5.643829 21.05739 
1 1 1   19   12    5 o  114.243   10.774  165.313   30.374  150.917   43.545  178.956   42.389  107.997   16.684  118.221   14.674 -10.22395 22.21892 
1 1 1   19   12    6 o  353.355   11.822  1569.62  104.314  1617.02  147.674  1522.41  147.372  357.494   16.542  346.745   17.020 10.74899 23.73410 
1 1 1   19   12    7 o  223.797   10.487  628.708   58.611  650.702   83.412  607.258   82.374  226.609   14.822  218.805   15.170 7.804352 21.20841 
1 1 1   19   12    8 o  238.093   15.533  719.041   91.848  757.857  123.293  670.637  137.682  243.083   20.502  227.206   24.662 15.87692 32.07150 
1 1 1   19   12    9 o  224.994   14.469  641.056   80.861  546.915  106.564  768.831  124.149  206.094   20.999  244.852   20.493 -38.75793 29.34162 
1 1 1   19   12   10 o  471.978   22.657  2851.01  267.039  2850.64  373.654  2851.38  381.779  465.129   32.371  464.626   33.121 0.5026245 46.31348 
1 1 1   19   12   11 o  146.235   9.9478  269.522   36.111  284.515   52.594  256.151   49.669  149.554   14.255  141.844   14.214 7.709610 20.13067 
1 1 1   19   12   12 o  436.051   14.298  2397.85  155.696  2377.94  220.814  2417.53  219.566  431.996   20.469  435.701   20.180 -3.704346 28.74402 
1 1 1   19   12   13 o  276.395   11.487  960.041   79.283  987.810  113.213  933.317  111.065  278.991   16.321  271.118   16.483 7.873596 23.19623 
1 1 1   19   12   14 o  279.962   11.709  985.279   81.856  906.666  116.584  1061.72  114.958  266.879   17.592  289.356   15.971 -22.47696 23.76046 
1 1 1   19   12   15 o  456.808   15.189  2635.54  173.262  2708.86  246.420  2563.85  243.662  460.525   21.428  447.859   21.787 12.66605 30.55828 
1 1 1   19   12   16 o  309.723   11.709  1206.07   90.561  1257.17  129.803  1157.61  126.409  314.711   16.575  301.879   16.836 12.83246 23.62563 
1 1 1   19   12   17 o  161.318   10.232  327.970   41.004  351.646   60.900  308.337   55.457  166.245   14.825  155.669   14.430 10.57565 20.68863 
1 1 1   19   12   18 o  280.327   10.853  987.258   75.977  1066.72  110.198  915.260  104.895  290.133   15.263  268.569   15.709 21.56430 21.90296 
1 1 1   19   12   19 o  466.353   15.119  2748.87  176.067  2821.69  251.391  2678.76  246.668  469.618   21.437  457.490   21.591 12.12796 30.42549 
1 1 1   19   12   20 o   25.692   12.606 -55.5515   27.700 -64.8846   30.938 -17.8386   62.190   26.750   13.164   53.278   23.597 -26.52822 27.02037 
1 1 1   19   12   21 o  260.503   11.527  853.812   74.987  790.638  109.129  910.323  103.214  248.812   17.679  267.734   15.504 -18.92213 23.51422 
1 1 1   19   12   22 o  268.655   11.749  908.756   78.819  843.698  114.855  966.667  108.362  256.822   18.023  275.722   15.804 -18.89990 23.97075 
1 1 1   19   12   23 o  385.628   13.374  1878.47  128.787  1974.16  186.310  1790.89  178.225  393.031   18.983  373.814   19.157 19.21750 26.96897 
1 1 1   19   12   24 o  110.014   11.829  154.327   31.986  123.776   51.497  173.516   40.813   96.118   21.938  116.190   14.373 -20.07232 26.22723 
1 1 1   19   12   25 o  284.606   11.664  1022.26   82.899  975.856  122.520  1061.44  112.584  275.554   17.902  288.365   15.693 -12.81146 23.80716 
1 1 1   19   12   26 o  296.586   11.872  1111.99   87.928  1110.90  130.379  1112.90  119.084  293.671   17.863  294.716   16.244 -1.044403 24.14439 
1 1 1   19   12   27 o  138.997   10.728  245.384   36.950  206.970   58.452  270.950   47.686  125.156   19.325  145.473   13.273 -20.31705 23.44397 
1 1 1   19   12   28 o  185.420   10.547  435.956   48.632  414.272   76.826  450.453   62.820  178.370   17.472  187.583   13.501 -9.212601 22.08069 
1 1 1   19   12   29 o  137.175   14.002  243.047   47.291  223.554   66.535  262.949   67.230  128.692   21.459  140.567   19.693 -11.87474 29.12611 
1 1 1   19   12   30 o  162.775   13.837  342.016   55.709  272.478   76.704  419.647   81.045  141.388   22.477  178.260   18.475 -36.87173 29.09521 
1 1 1   19   12   31 o  201.538   13.997  524.979   70.009  403.852   96.016  662.472  102.297  171.759   22.961  223.796   18.470 -52.03778 29.46731 
1 1 1   19   12   32 o   78.368   14.082   81.448   26.546  114.351   41.992   59.545   34.261   91.442   19.010   66.180   19.446 25.26189 27.19379 
1 1 1   19   12   33 o   42.756   15.398   20.589   20.997   60.056   30.500 -14.9670   28.949   66.271   17.975   34.216   15.545 32.05496 23.76470 
1 1 1   19   12   34 o   71.996   14.649   69.671   25.441   82.961   35.978   56.380   35.979   77.392   18.802   64.409   20.142 12.98323 27.55416 
1 1 1   19   12   35 f   64.076   14.976   55.764   23.533   54.061   30.809   58.150   36.463   62.742   18.441   65.041   20.267 -2.298775 27.40145 
1 1 1   19   12   36 o  111.885   12.125  163.531   33.336  155.989   45.396  172.357   49.111  106.721   17.651  111.999   18.183 -5.278564 25.34134 
1 1 1   19   12   37 o   77.452   14.291   81.125   26.622   78.125   33.431   86.326   44.014   74.499   18.140   77.005   21.867 -2.506088 28.41121 
1 1 1   19   13    0 o  490.123   19.370  3058.66  237.080  3063.08  288.439  3049.47  416.244  488.154   23.662  477.870   35.127 10.28433 42.35319 
1 1 1   19   13    1 o  314.197   13.178  1243.76  103.399  1116.80  123.214  1546.06  190.124  296.473   16.711  346.868   22.064 -50.39505 27.67798 
1 1 1   19   13    2 o  344.672   14.630  1499.68  125.924  1413.43  151.606  1691.56  226.128  333.116   18.295  361.405   25.214 -28.28821 31.15211 
1 1 1   19   13    3 o  264.627   11.964  880.746   79.061  812.744  111.261  950.105  112.366  252.514   17.757  273.470   16.532 -20.95616 24.26159 
1 1 1   19   13    4 o  336.362   13.348  1425.40  112.116  1329.23  158.224  1522.38  158.889  322.542   19.739  345.738   18.470 -23.19635 27.03299 
1 1 1   19   13    5 o  173.140   10.382  377.654   44.679  388.496   63.563  367.066   62.814  174.848   14.694  169.870   14.960 4.978607 20.96975 
1 1 1   19   13    6 o  320.427   10.774  1289.43   86.206  1330.14  121.943  1248.76  121.884  324.555   15.046  314.356   15.527 10.19901 21.62065 
1 1 1   19   13    7 o  118.808   11.362  178.966   33.298  151.382   47.409  205.822   46.779  107.800   18.263  126.814   15.067 -19.01398 23.67601 
1 1 1   19   13    8 o  178.376   15.393  404.832   67.893  495.366   88.323  274.074  106.145  196.775   18.180  142.350   30.758 54.42490 35.72917 
1 1 1   19   13    9 o  428.182   19.391  2331.98  207.339  1914.82  286.332  2791.85  300.633  381.971   30.266  464.447   26.026 -82.47632 39.91716 
1 1 1   19   13   10 o  181.941   10.125  416.689   45.819  438.625   65.960  396.233   63.695  185.950   14.315  176.630   14.571 9.320267 20.42615 
1 1 1   19   13   11 o  151.880   9.7752  290.568   36.878  283.473   53.139  297.160   51.220  149.229   14.440  152.992   13.547 -3.762360 19.79980 
1 1 1   19   13   12 o  360.002   12.879  1631.56  115.782  1672.49  164.514  1591.39  162.977  363.027   18.147  353.539   18.525 9.488007 25.93244 
1 1 1   19   13   13 o  186.081   10.540  436.112   48.775  408.172   69.848  462.702   68.141  179.024   15.786  190.992   14.393 -11.96803 21.36204 
1 1 1   19   13   14 o  208.402   10.233  545.137   53.255  549.467   76.716  541.109   73.985  208.113   14.859  206.609   14.430 1.504364 20.71324 
1 1 1   19   13   15 o  261.309   11.427  858.216   74.567  834.180  106.540  881.295  104.399  256.135   16.749  263.518   15.940 -7.382935 23.12162 
1 1 1   19   13   16 o  159.061   9.7511  318.614   38.545  376.433   56.933  269.688   52.373  172.347   13.332  145.464   14.615 26.88260 19.78285 
1 1 1   19   13   17 o  213.778   9.9043  573.536   52.873  630.437   77.322  523.562   72.463  223.153   13.945  203.191   14.374 19.96278 20.02703 
1 1 1   19   13   18 o  295.352   11.356  1096.64   83.752  1134.29  120.615  1061.59  116.385  298.903   16.220  289.148   16.184 9.754456 22.91278 
1 1 1   19   13   19 o  240.695   15.111  735.090   90.363   0.0000   0.0000  735.090   90.363  ?   ?   240.695   15.111 0.000000 15.11051 
1 1 1   19   13   20 o  152.826   12.244  295.895   46.334  256.246   61.957  346.205   69.791  140.905   18.021  164.296   17.269 -23.39026 24.95961 
1 1 1   19   13   21 o   90.642   13.155  105.704   28.906  106.284   45.381  105.308   37.498   89.429   20.726   89.592   17.387 -0.1626816 27.05347 
1 1 1   19   13   22 o  260.049   11.015  850.630   71.530  860.984  104.980  841.658   97.727  260.021   16.249  257.368   15.274 2.653351 22.30102 
1 1 1   19   13   23 o  227.332   10.519  649.937   59.714  660.784   89.538  641.247   80.139  227.662   15.848  224.674   14.359 2.988800 21.38549 
1 1 1   19   13   24 o  149.717   11.121  283.843   41.280  216.163   63.453  333.505   54.355  128.223   20.508  161.831   13.576 -33.60738 24.59422 
1 1 1   19   13   25 o  147.246   10.872  274.669   39.695  245.016   62.403  294.823   51.444  137.051   18.723  151.956   13.705 -14.90581 23.20312 
1 1 1   19   13   26 o  275.762   11.741  960.935   80.855  874.175  120.100  1032.86  109.347  260.082   18.615  284.262   15.462 -24.18002 24.19918 
1 1 1   19   13   27 o  257.527   10.901  837.700   70.100  844.490  106.197  832.456   93.320  256.098   16.697  255.123   14.710 0.9745026 22.25269 
1 1 1   19   13   28 o  281.216   11.596  1002.01   81.434  930.816  122.313  1058.69  109.140  267.531   18.421  287.155   15.275 -19.62354 23.92994 
1 1 1   19   13   29 o  123.822   10.812  195.607   33.095  224.810   55.042  179.072   41.418  130.788   17.276  117.445   14.426 13.34299 22.50669 
1 1 1   19   13   30 o  132.010   10.683  222.404   34.914  188.992   57.197  242.246   44.078  118.397   20.062  137.109   13.030 -18.71201 23.92227 
1 1 1   19   13   31 o   60.701   15.378   49.469   23.338   40.161   39.167   54.593   29.059   58.421   21.031   63.613   17.665 -5.191833 27.46502 
1 1 1   19   13   32 o  144.420   10.843  266.960   38.819  210.084   60.916  305.849   50.371  124.183   20.348  153.742   13.250 -29.55875 24.28181 
1 1 1   19   13   33 o  132.068   13.812  227.451   44.878  156.140   56.674  347.337   73.484  105.601   22.196  160.953   18.627 -55.35133 28.97664 
1 1 1   19   13   34 o   87.351   16.600  103.208   34.885   89.240   40.892  140.551   66.864   79.873   20.422   97.743   26.657 -17.86932 33.58101 
1 1 1   19   13   35 o  117.951   11.704  180.364   34.019  158.036   49.279  200.693   47.020  107.140   19.120  122.765   15.697 -15.62431 24.73797 
1 1 1   19   13   36 o  104.132   12.508  142.127   31.874  149.771   44.017  133.700   46.217  104.731   17.444   97.769   19.612 6.961891 26.24748 
1 1 1   19   13   37 o  121.997   12.049  194.516   36.228  203.919   49.477  183.646   53.194  122.601   16.587  114.727   19.249 7.874405 25.40934 
1 1 1   19   14    0 o  357.426   27.694  1670.56  245.252  1670.56  245.252   0.0000   0.0000  357.426   27.694  ?   ?  0.000000 27.69356 
1 1 1   19   14    1 o  294.895   14.131  1097.52  104.063  1095.03  124.477  1103.30  189.645  293.374   17.065  290.779   26.405 2.594086 31.43936 
1 1 1   19   14    2 o  548.305   20.962  3841.78  287.019  3737.60  349.508  4057.56  502.989  537.485   26.040  549.503   36.869 -12.01862 45.13762 
1 1 1   19   14    3 o  165.445   11.801  345.986   48.436  325.499   55.093  415.716  101.642  160.056   13.923  178.535   23.358 -18.47888 27.19274 
1 1 1   19   14    4 o  144.401   13.461  265.031   47.980  266.639   55.084  259.975   97.680  144.428   15.516  138.896   29.094 5.532486 32.97280 
1 1 1   19   14    5 o  635.672   19.750  5147.45  313.506  5182.65  443.247  5112.21  443.481  631.447   28.110  626.951   28.326 4.496460 39.90671 
1 1 1   19   14    6 o  407.544   14.070  2094.99  143.191  2006.74  202.071  2184.00  202.937  396.133   20.498  414.138   19.623 -18.00485 28.37625 
1 1 1   19   14    7 o  226.827   9.4400  645.345   53.471  680.271   75.961  611.040   75.282  232.022   13.164  219.730   13.790 12.29254 19.06467 
1 1 1   19   14    8 o   75.918   18.790   76.110   35.431   90.687   40.478   28.353   73.268   82.777   19.841   68.188   27.638 14.58931 34.02194 
1 1 1   19   14    9 o  102.112   16.435  135.166   40.485  118.339   46.999  183.563   79.707   94.597   20.489  116.750   27.748 -22.15336 34.49266 
1 1 1   19   14   10 o  162.876   9.4583  333.848   38.304  365.556   55.325  304.655   53.085  169.866   13.145  154.846   13.876 15.02055 19.11338 
1 1 1   19   14   11 o  105.913   11.290  142.536   29.400  121.385   42.614  161.748   40.614   96.238   18.403  112.247   14.854 -16.00894 23.64971 
1 1 1   19   14   12 o  109.417   11.134  151.949   29.998  153.397   43.920  150.683   41.070  108.871   16.687  108.104   15.671 0.7672119 22.89150 
1 1 1   19   14   13 o  225.570   9.8673  638.466   55.582  647.419   79.687  629.982   77.565  226.120   14.184  223.084   13.994 3.036087 19.92555 
1 1 1   19   14   14 o  168.848   10.513  359.347   44.109  316.084   63.385  399.971   61.421  157.213   16.386  177.561   13.965 -20.34854 21.52965 
1 1 1   19   14   15 o  232.205   10.503  677.068   60.901  659.583   87.096  693.796   85.190  227.947   15.391  233.986   14.654 -6.038635 21.25104 
1 1 1   19   14   16 o  228.423   9.3443  654.449   53.301  757.487   77.445  561.716   73.470  244.956   12.704  210.566   14.053 34.39034 18.94444 
1 1 1   19   14   17 f  362.809   12.371  1656.85  112.080  1710.53  159.973  1605.09  157.078  367.183   17.447  355.608   17.689 11.57471 24.84499 
1 1 1   19   14   18 o   84.726   14.222   92.995   29.025   77.565   50.771  100.485   35.376   77.520   23.876   87.639   16.775 -10.11883 29.18007 
1 1 1   19   14   19 f  105.235   16.381  143.483   41.647  139.493   47.856  155.936   84.545  103.064   19.304  107.479   30.232 -4.415192 35.86903 
1 1 1   19   14   20 o  193.400   11.267  471.930   54.179  447.569   79.474  493.081   74.054  187.020   17.210  196.883   15.179 -9.862976 22.94783 
1 1 1   19   14   21 o   96.513   12.566  119.298   29.567  106.376   45.969  128.417   38.614   89.426   20.952   99.452   16.098 -10.02610 26.42218 
1 1 1   19   14   22 o  118.260   11.762  177.807   34.276  164.328   53.085  187.443   44.886  111.845   19.728  120.752   15.224 -8.906525 24.91897 
1 1 1   19   14   23 o  277.589   11.577  970.605   80.252  968.631  117.451  972.333  109.911  275.365   17.166  276.301   15.998 -0.9357605 23.46514 
1 1 1   19   14   24 o  343.383   12.605  1488.93  108.083  1475.40  156.983  1501.12  149.033  339.115   18.609  342.603   17.478 -3.488647 25.52956 
1 1 1   19   14   25 o   82.471   13.858   88.447   27.527   52.979   45.605  108.776   34.526   66.294   22.787   91.233   15.722 -24.93871 27.68509 
1 1 1   19   14   26 o  270.171   11.579  922.048   78.119  922.431  115.918  921.729  105.737  267.753   17.432  268.335   15.850 -0.5826111 23.56039 
1 1 1   19   14   27 o  328.792   12.507  1370.34  102.687  1334.56  150.842  1401.24  140.184  320.896   18.907  329.947   17.072 -9.051147 25.47456 
1 1 1   19   14   28 o  226.996   11.009  651.865   62.405  588.487   95.332  699.390   82.551  212.635   18.127  233.711   14.212 -21.07558 23.03388 
1 1 1   19   14   29 o  162.293   10.553  334.695   42.535  274.581   68.043  373.252   54.494  143.893   19.433  170.719   12.877 -26.82573 23.31263 
1 1 1   19   14   30 o   78.950   13.050   81.592   24.829   57.847   43.317   93.211   30.301   66.865   22.210   83.960   15.003 -17.09471 26.80266 
1 1 1   19   14   31 o   74.470   13.638   73.248   24.427   32.134   41.792   94.582   30.105   56.205   21.436   84.522   14.803 -28.31793 26.05028 
1 1 1   19   14   32 o  152.904   10.601  298.692   40.226  217.426   63.699  352.597   51.879  126.124   20.961  165.418   12.655 -39.29453 24.48463 
1 1 1   19   14   33 o  154.175   10.479  303.910   40.103  268.676   62.766  328.218   52.133  141.635   18.165  159.166   13.236 -17.53043 22.47560 
1 1 1   19   14   34 o   82.352   12.793   89.182   25.455   69.315   37.727  105.786   34.490   70.732   20.298   88.651   16.176 -17.91944 25.95510 
1 1 1   19   14   35 o  203.295   11.242  531.136   56.848  551.894   86.103  515.095   75.690  203.525   17.100  197.723   15.452 5.802002 23.04743 
1 1 1   19   14   36 o   98.473   15.775  130.589   37.482  117.114   41.661  187.833   85.867   91.811   18.804  109.433   30.357 -17.62239 35.70884 
1 1 1   19   14   37 o  101.809   16.129  140.628   39.640  135.371   42.964  170.707  102.774   98.893   18.063  100.802   34.215 -1.909416 38.69068 
1 1 1   19   15    0 o  335.979   26.782  1474.86  222.835  1474.86  222.835   0.0000   0.0000  335.979   26.782  ?   ?  0.000000 26.78205 
1 1 1   19   15    1 o  406.078   17.157  2092.88  173.978  2165.73  210.765  1937.07  308.221  411.659   20.503  381.491   32.669 30.16797 38.56983 
1 1 1   19   15    2 o  278.361   13.580  977.343   94.399  971.065  112.250  992.507  174.465  276.382   16.337  275.923   25.613 0.4596863 30.37902 
1 1 1   19   15    3 o  442.332   16.253  2478.28  179.529  2358.70  217.319  2735.29  318.590  429.842   20.246  457.576   28.017 -27.73434 34.56623 
1 1 1   19   15    4 o   87.022   16.050   98.798   33.593   79.527   36.590  202.178   84.748   77.540   19.037  122.330   28.304 -44.78977 34.11067 
1 1 1   19   15    5 o  503.312   18.447  3220.76  231.857  3062.67  281.721  3552.61  408.169  488.320   23.103  518.825   31.656 -30.50534 39.18953 
1 1 1   19   15    6 o  234.499   12.710  694.484   74.149  691.563   87.737  701.786  138.709  233.454   15.131  232.321   24.267 1.132813 28.59826 
1 1 1   19   15    7 o  455.110   14.919  2616.61  169.559  2594.82  239.495  2638.50  240.090  450.502   21.289  454.342   21.161 -3.840149 30.01674 
1 1 1   19   15    8 o  279.805   16.707  995.249  116.201  1030.27  156.444  952.149  173.552  282.754   22.338  270.257   26.038 12.49738 34.30717 
1 1 1   19   15    9 o  365.500   18.668  1702.61  169.819  1620.97  233.063  1795.01  247.949  352.918   26.642  371.312   26.924 -18.39395 37.87693 
1 1 1   19   15   10 o  349.737   12.772  1540.24  111.546  1556.81  158.215  1523.86  157.287  349.655   18.183  345.891   18.275 3.763428 25.77933 
1 1 1   19   15   11 o  202.028   11.115  514.420   55.861  492.394   79.287  536.130   78.716  196.581   16.298  205.380   15.461 -8.799728 22.46531 
1 1 1   19   15   12 o   80.585   12.329   83.563   24.022   85.419   35.925   82.062   32.307   80.456   18.294   79.024   16.884 1.432175 24.89478 
1 1 1   19   15   13 o  445.458   14.449  2504.65  160.726  2596.79  227.954  2413.56  226.654  451.246   20.229  434.738   20.878 16.50775 29.07082 
1 1 1   19   15   14 o  283.404   11.988  1010.41   84.840  967.756  120.585  1052.22  119.389  275.634   17.611  287.739   16.687 -12.10568 24.26131 
1 1 1   19   15   15 o  282.581   10.229  1002.54   72.178  1086.23  103.451  923.155  100.753  293.409   14.119  269.906   15.008 23.50348 20.60540 
1 1 1   19   15   16 f  259.520   9.9035  845.335   64.181  927.375   92.280  768.468   89.324  270.845   13.688  246.273   14.589 24.57129 20.00553 
1 1 1   19   15   17 o  197.209   10.275  489.669   50.425  493.301   72.642  486.292   70.053  197.052   14.872  195.736   14.434 1.315643 20.72449 
1 1 1   19   15   18 o  160.539   10.922  325.373   43.524  285.936   63.438  360.447   59.826  149.145   17.358  168.362   14.367 -19.21758 22.53219 
1 1 1   19   15   19 o  111.546   11.295  158.033   31.027  174.105   47.300  145.894   41.108  116.025   16.815  106.206   15.996 9.818748 23.20811 
1 1 1   19   15   20 o  199.223   10.997  500.500   54.497  490.530   79.558  509.313   74.802  196.042   16.402  200.117   15.079 -4.074219 22.28015 
1 1 1   19   15   21 o   99.390   12.054  126.184   29.305  144.206   45.968  113.844   38.036  105.017   18.187   93.312   16.947 11.70446 24.85944 
1 1 1   19   15   22 o  197.473   11.235  492.306   55.175  456.886   81.188  522.704   75.214  188.744   17.422  202.655   14.968 -13.91125 22.96902 
1 1 1   19   15   23 o  244.153   10.989  750.305   66.998  745.894   98.411  754.117   91.469  241.724   16.400  243.457   15.120 -1.732758 22.30661 
1 1 1   19   15   24 o  338.643   12.578  1448.25  106.370  1501.08  154.193  1400.28  146.930  342.254   18.106  330.646   17.861 11.60825 25.43290 
1 1 1   19   15   25 o  150.355   10.740  286.258   40.058  327.444   62.569  257.651   52.146  159.601   15.911  141.648   14.969 17.95256 21.84557 
1 1 1   19   15   26 o  294.435   12.212  1096.62   89.791  1025.24  131.723  1158.58  122.721  281.619   18.839  300.662   16.407 -19.04346 24.98214 
1 1 1   19   15   27 o  215.564   10.994  588.514   58.983  577.330   89.596  597.068   78.357  211.393   17.120  215.970   14.615 -4.577576 22.50950 
1 1 1   19   15   28 o  229.148   10.968  664.222   62.764  641.940   95.493  681.168   83.279  222.526   17.321  230.500   14.543 -7.974304 22.61664 
1 1 1   19   15   29 o  130.946   10.632  218.414   34.466  199.643   56.446  229.574   43.521  122.506   19.072  133.569   13.222 -11.06324 23.20651 
1 1 1   19   15   30 o  104.448   11.377  140.161   29.194  111.336   49.221  155.805   36.261   89.802   22.099  109.579   13.540 -19.77645 25.91679 
1 1 1   19   15   31 o   97.799   11.575  123.421   27.720   87.546   46.736  142.891   34.429   79.523   22.516  104.765   13.472 -25.24212 26.23851 
1 1 1   19   15   32 o  134.390   10.633  231.049   35.391  206.595   57.702  245.796   44.810  123.691   19.312  137.772   13.186 -14.08134 23.38411 
1 1 1   19   15   33 o   92.014   12.077  110.136   27.081   95.053   43.638  119.584   34.536   82.526   21.094   94.949   15.069 -12.42249 25.92391 
1 1 1   19   15   34 o  142.657   10.622  260.880   37.569  220.938   57.922  289.887   49.360  127.771   18.708  149.317   13.380 -21.54560 22.99982 
1 1 1   19   15   35 o  125.534   11.192  203.307   34.718  195.645   52.041  209.453   46.605  120.235   17.877  125.808   15.138 -5.573792 23.42537 
1 1 1   19   15   36 o  181.373   11.255  423.971   50.727  448.551   76.253  404.458   67.941  183.116   16.865  174.559   15.756 8.557068 23.07998 
1 1 1   19   15   37 o  102.854   17.752  145.538   43.946   0.0000   0.0000  145.538   43.946  ?   ?   102.854   17.752 0.000000 17.75151 
1 1 1   19   16    0 o  188.661   11.639  449.646   54.568  396.177   61.368  651.605  119.267  176.561   14.034  224.427   21.546 -47.86546 25.71365 
1 1 1   19   16    1 o   86.430   28.267   95.109   70.262   95.109   70.262   0.0000   0.0000   86.430   28.267  ?   ?  0.000000 28.26657 
1 1 1   19   16    2 o  301.419   14.056  1147.29  105.796  1149.96  126.255  1140.99  193.861  300.570   16.889  295.304   26.573 5.266724 31.48641 
1 1 1   19   16    3 o  129.062   13.711  212.484   43.511  224.532   48.815  165.904   95.983  132.436   15.026  110.730   32.551 21.70671 35.85218 
1 1 1   19   16    4 o  275.752   12.797  958.151   88.119  912.272  104.183  1073.47  165.174  268.032   15.633  288.062   23.157 -20.03027 27.94042 
1 1 1   19   16    5 o  163.590   12.626  339.055   51.182  322.360   58.230  395.763  107.318  159.044   14.833  173.264   25.572 -14.21988 29.56249 
1 1 1   19   16    6 f  192.186   13.105  467.633   62.520  492.166   72.958  399.822  121.295  196.782   14.959  172.910   29.126 23.87164 32.74317 
1 1 1   19   16    7 o  345.214   14.536  1505.17  125.310  1491.72  151.091  1534.80  224.289  342.280   17.738  343.245   26.369 -0.9645081 31.77934 
1 1 1   19   16    8 o  425.856   17.110  2300.37  181.960  2218.16  220.590  2475.41  321.876  415.885   21.312  433.981   29.883 -18.09546 36.70406 
1 1 1   19   16    9 o  440.860   20.256  2480.54  223.004  2137.45  307.450  2861.44  323.947  402.548   30.819  468.298   27.826 -65.74936 41.52249 
1 1 1   19   16   10 f  247.552   12.361  771.453   76.411  738.019  126.764  790.534   95.764  239.292   21.441  249.566   15.442 -10.27435 26.42301 
1 1 1   19   16   11 o  380.634   14.000  1828.05  133.076  1839.13  188.195  1816.96  188.201  379.269   19.941  376.914   20.068 2.355408 28.29022 
1 1 1   19   16   12 o  449.272   15.298  2551.88  171.630  2602.17  243.093  2501.90  242.351  450.912   21.589  441.952   21.959 8.959351 30.79434 
1 1 1   19   16   13 o  373.921   12.494  1760.39  116.659  1802.67  165.358  1718.49  164.608  376.854   17.571  367.829   17.921 9.024780 25.09771 
1 1 1   19   16   14 o  115.871   10.155  169.839   29.088  181.711   43.032  159.851   39.471  119.055   14.793  111.613   14.504 7.441467 20.71728 
1 1 1   19   16   15 o  205.715   10.483  532.896   53.672  516.576   76.777  548.495   75.060  201.550   15.370  207.910   14.549 -6.359467 21.16404 
1 1 1   19   16   16 o  220.752   10.950  612.454   60.363  613.634   86.389  611.328   84.380  219.633   15.858  219.305   15.508 0.3280487 22.18005 
1 1 1   19   16   17 o  108.010   14.906  150.129   39.134   0.0000   0.0000  150.129   39.134  ?   ?   108.010   14.906 0.000000 14.90606 
1 1 1   19   16   18 o  176.861   15.036  398.263   65.777  398.263   65.777   0.0000   0.0000  176.861   15.036  ?   ?  0.000000 15.03604 
1 1 1   19   16   19 o  282.862   11.262  1006.28   79.552  1058.72  114.209  956.863  110.873  288.685   15.904  274.298   16.259 14.38666 22.74393 
1 1 1   19   16   20 f  107.403   11.584  146.814   30.576  146.283   46.726  147.211   40.436  105.759   18.358  106.738   15.634 -0.9785080 24.11328 
1 1 1   19   16   21 o  136.682   12.429  237.350   41.960  190.688   57.261  291.463   61.664  120.712   19.674  150.636   16.672 -29.92410 25.78789 
1 1 1   19   16   22 o   78.091   17.574   80.625   33.444  127.815   92.557   73.539   35.867   98.942   32.447   74.477   19.172 24.46469 37.68745 
1 1 1   19   16   23 o  136.821   15.008  240.038   50.437  329.013  109.147  215.880   56.873  155.726   29.138  128.863   18.179 26.86234 34.34394 
1 1 1   19   16   24 o  251.355   16.927  808.929  105.627  716.617  169.008  868.098  135.308  230.448   30.087  258.670   21.132 -28.22224 36.76622 
1 1 1   19   16   25 o  367.052   19.452  1738.12  177.656  1790.35  267.152  1696.71  237.875  365.021   29.562  357.514   26.840 7.507721 39.92890 
1 1 1   19   16   26 o  293.156   17.690  1106.67  128.894  1088.80  202.459  1118.85  167.144  283.709   28.984  291.672   23.138 -7.963196 37.08668 
1 1 1   19   16   27 o  126.458   17.173  208.877   52.827   38.353  116.522  252.995   59.268   81.403   34.101  139.288   17.421 -57.88498 38.29327 
1 1 1   19   16   28 o  130.982   16.126  223.334   51.633  252.771  123.223  217.065   56.866  130.686   36.406  128.385   18.251 2.301422 40.72441 
1 1 1   19   16   29 o  178.409   16.105  413.055   70.976  421.437  142.741  410.301   81.806  169.346   34.914  176.602   18.841 -7.256027 39.67326 
1 1 1   19   16   30 o   47.729   17.493   24.585   27.271   82.819  116.279   21.196   28.054   87.750   35.079   46.506   17.604 41.24434 39.24873 
1 1 1   19   16   31 o   71.122   15.834   67.934   27.398   54.513   42.573   77.422   35.796   65.140   22.022   75.297   19.029 -10.15699 29.10442 
1 1 1   19   16   32 o  128.390   12.889  213.365   40.766  175.785   57.011  252.685   58.315  113.181   20.943  137.988   17.304 -24.80698 27.16658 
1 1 1   19   16   33 o   92.406   12.365  111.259   27.817  110.998   45.189  111.419   35.297   89.379   20.660   91.228   16.081 -1.849823 26.18115 
1 1 1   19   16   34 o  149.534   10.386  286.165   38.542  223.219   60.046  330.271   50.263  128.112   19.374  159.760   12.704 -31.64883 23.16784 
1 1 1   19   16   35 f   98.287   11.491  125.408   27.672  152.590   41.575  103.787   37.079  106.759   16.095   87.090   17.654 19.66853 23.88910 
1 1 1   19   16   36 o  106.215   11.744  146.790   30.628  149.655   44.714  144.258   42.037  104.706   17.734  103.151   16.905 1.555450 24.50095 
1 1 1   19   16   37 o  139.305   16.384  261.081   55.905   0.0000   0.0000  261.081   55.905  ?   ?   139.305   16.384 0.000000 16.38372 
1 1 1   19   17    0 o   79.683   17.651   83.877   34.197   84.295   36.807   81.240   92.445   79.738   18.793   86.377   32.109 -6.639114 37.20407 
1 1 1   19   17    1 o  189.679   15.531  458.755   72.919  458.755   72.919   0.0000   0.0000  189.679   15.531  ?   ?  0.000000 15.53081 
1 1 1   19   17    2 f  325.397   26.393  1385.32  212.617  1385.32  212.617   0.0000   0.0000  325.397   26.393  ?   ?  0.000000 26.39324 
1 1 1   19   17    3 o  229.311   12.800  664.944   73.006  664.623   85.508  665.808  140.230  228.705   15.056  225.405   25.353 3.300049 29.48680 
1 1 1   19   17    4 o   92.278   15.701  110.731   34.884  107.390   37.888  129.330   89.390   90.486   17.399   99.345   31.833 -8.858917 36.27827 
1 1 1   19   17    5 o  223.680   12.819  632.660   71.306  617.080   83.248  675.578  138.169  220.332   15.224  227.421   24.728 -7.089523 29.03830 
1 1 1   19   17    6 o  276.802   13.683  966.936   94.582  988.174  112.565  915.935  174.437  278.771   16.240  264.271   26.803 14.49997 31.33948 
1 1 1   19   17    7 o  202.915   10.993  519.115   55.496  429.693   62.797  837.969  118.581  184.024   13.765  255.894   18.686 -71.86948 23.20857 
1 1 1   19   17    8 o  192.848   13.030  470.873   62.380  494.495   72.792  405.560  121.039  197.239   14.889  174.201   28.833 23.03732 32.44987 
1 1 1   19   17    9 o  185.684   15.342  439.020   70.503  465.199   88.591  393.799  116.433  190.249   18.897  171.898   28.095 18.35121 33.85899 
1 1 1   19   17   10 o  396.239   19.547  2002.11  193.413  1877.93  265.241  2143.12  282.640  378.569   28.261  404.608   28.149 -26.03830 39.88791 
1 1 1   19   17   11 o   88.229   16.249  101.617   34.481  106.392   37.877   78.519   83.309   90.077   17.469   83.945   30.604 6.131210 35.23885 
1 1 1   19   17   12 o  337.527   11.673  1433.21   98.391  1470.19  139.159  1396.25  139.134  340.622   16.360  331.386   16.869 9.236298 23.49921 
1 1 1   19   17   13 o  196.285   11.411  486.135   55.689  393.359   78.770  578.845   78.741  174.975   18.298  213.509   14.861 -38.53372 23.57266 
1 1 1   19   17   14 o  153.972   10.065  298.930   38.486  312.214   55.496  286.621   53.419  156.600   14.351  149.973   14.442 6.627319 20.35986 
1 1 1   19   17   15 f  123.546   10.688  193.207   32.651  210.865   48.152  178.178   44.423  128.235   15.342  117.698   15.491 10.53651 21.80179 
1 1 1   19   17   16 o  463.191   15.866  2716.92  183.523  2693.31  260.155  2740.31  258.931  457.791   22.757  461.946   22.446 -4.154999 31.96421 
1 1 1   19   17   17 o  413.531   12.883  2155.44  133.042  2339.32  189.279  1975.88  187.041  429.038   17.667  393.754   19.022 35.28406 25.96069 
1 1 1   19   17   18 o  220.702   11.541  614.512   63.386  633.512   90.863  596.500   88.468  222.935   16.437  216.271   16.505 6.663513 23.29414 
1 1 1   19   17   19 o  207.673   10.057  541.713   52.154  563.318   75.176  521.665   72.417  210.651   14.377  202.671   14.402 7.979568 20.35001 
1 1 1   19   17   20 o  100.070   15.633  129.778   37.787  221.400   90.000  110.170   41.635  127.629   28.909   91.346   18.876 36.28211 34.52616 
1 1 1   19   17   21 o  244.659   16.683  763.846  101.320  627.060  157.471  860.480  132.356  216.370   29.947  258.288   20.694 -41.91754 36.40165 
1 1 1   19   17   22 f  140.749   14.868  253.634   51.465  292.763  103.679  240.841   59.284  146.744   29.319  136.372   17.836 10.37273 34.31784 
1 1 1   19   17   23 o  205.412   15.205  538.198   77.440  558.820  132.086  527.396   95.593  205.145   26.396  202.082   19.172 3.063477 32.62407 
1 1 1   19   17   24 o  290.312   13.947  1067.90  101.110  1257.69  192.133  995.215  118.907  309.179   25.102  278.723   17.167 30.45599 30.41095 
1 1 1   19   17   25 o  343.845   14.900  1503.49  127.939  1653.61  237.907  1442.41  151.750  352.331   27.252  334.838   18.217 17.49359 32.77999 
1 1 1   19   17   26 o  383.729   13.964  1871.34  133.808  1803.33  192.781  1934.58  185.876  372.209   20.824  387.130   19.227 -14.92081 28.34322 
1 1 1   19   17   27 o  113.277   11.641  164.041   32.461  181.394   53.030  153.642   41.050  117.163   18.758  108.583   15.586 8.579697 24.38824 
1 1 1   19   17   28 o  138.443   10.803  243.844   37.051  228.622   59.663  253.399   47.270  131.622   18.676  140.380   13.657 -8.758087 23.13660 
1 1 1   19   17   29 o  129.079   10.730  212.400   34.272  226.292   56.797  204.446   42.978  131.005   17.824  125.742   13.921 5.262955 22.61620 
1 1 1   19   17   30 o  157.653   10.480  316.364   41.023  312.794   66.859  318.520   51.951  154.100   17.695  157.267   13.355 -3.167068 22.16905 
1 1 1   19   17   31 o  191.928   12.331  472.367   58.789  720.295  156.114  431.398   63.461  225.698   28.323  182.679   14.018 43.01947 31.60197 
1 1 1   19   17   32 o  121.199   13.312  190.822   39.627   93.671  138.094  199.540   41.366   91.440   37.605  123.864   13.597 -32.42366 39.98824 
1 1 1   19   17   33 o   71.013   16.574   68.470   28.855   80.835  137.872   67.903   29.509   88.512   37.087   70.634   16.947 17.87765 40.77584 
1 1 1   19   17   34 o   63.864   18.961   55.524   32.433   43.559  144.591   56.158   33.281   83.339   36.477   64.230   19.239 19.10835 41.23957 
1 1 1   19   17   35 o  184.105   17.301  452.234   78.608  461.182  179.250  450.104   87.468  159.976   43.654  182.098   19.540 -22.12155 47.82751 
1 1 1   19   17   36 o  143.193   19.114  280.385   66.641   0.0000   0.0000  280.385   66.641  ?   ?   143.193   19.114 0.000000 19.11393 
1 1 1   19   18    0 o  329.103   14.306  1370.62  117.572  1387.11  140.141  1331.42  216.042  329.730   17.078  317.698   27.503 12.03171 32.37407 
1 1 1   19   18    1 o  295.469   13.883  1103.64  102.437  1125.10  121.289  1050.26  191.315  297.174   16.408  282.060   27.512 15.11429 32.03309 
1 1 1   19   18    2 o  180.478   24.041  428.092  105.654  428.092  105.654   0.0000   0.0000  180.478   24.041  ?   ?  0.000000 24.04092 
1 1 1   19   18    3 o  177.833   13.477  401.543   59.405  477.205   68.306  166.643  120.354  193.778   14.215  111.989   37.013 81.78961 39.64862 
1 1 1   19   18    4 o  242.284   13.296  743.059   80.139  740.438   94.024  750.020  153.223  241.212   15.695  238.898   26.109 2.313965 30.46319 
1 1 1   19   18    5 o  199.697   13.233  505.347   65.615  510.374   76.134  490.833  129.367  200.190   15.346  192.134   27.769 8.056381 31.72714 
1 1 1   19   18    6 o  337.550   13.922  1439.17  117.355  1384.05  139.941  1569.80  215.430  329.659   17.058  347.330   25.005 -17.67166 30.26910 
1 1 1   19   18    7 o  185.802   12.041  436.523   55.569  387.714   63.039  606.626  117.684  174.529   14.598  216.282   22.100 -41.75339 26.48606 
1 1 1   19   18    8 o   83.317   16.832   91.165   33.814   75.176   36.559  185.820   88.953   75.355   19.333  116.733   30.263 -41.37832 35.91143 
1 1 1   19   18    9 o   87.087   15.760   98.911   33.013   93.686   35.575  131.315   88.593   84.378   17.459   99.876   31.658 -15.49834 36.15354 
1 1 1   19   18   10 o  250.440   15.446  796.845   96.126  722.000  124.396  907.777  151.445  236.495   21.292  264.635   23.150 -28.14050 31.45264 
1 1 1   19   18   11 o  116.169   14.493  173.083   41.128  190.990   45.625   95.450   95.000  121.936   15.322   90.738   32.742 31.19843 36.14933 
1 1 1   19   18   12 o  395.697   15.446  1981.93  152.629  1897.17  184.218  2167.48  272.572  385.750   19.124  407.416   26.943 -21.66602 33.04035 
1 1 1   19   18   13 o  277.649   13.625  972.842   94.469  982.741  112.640  949.366  173.458  277.971   16.298  269.384   26.113 8.587402 30.78214 
1 1 1   19   18   14 o  230.379   12.624  670.738   72.348  600.016   85.036  856.113  137.673  217.105   15.793  257.565   21.604 -40.46024 26.76143 
1 1 1   19   18   15 o  322.821   12.253  1312.56   98.775  1262.06  139.856  1362.81  139.524  314.539   17.879  327.168   17.137 -12.62900 24.76605 
1 1 1   19   18   16 o  284.657   14.392  1026.52  101.970  998.628  188.108  1038.12  121.346  275.477   27.721  285.425   17.104 -9.948639 32.57292 
1 1 1   19   18   17 o  581.143   21.949  4336.98  318.524  4290.64  391.733  4427.40  547.198  573.658   27.345  569.817   38.685 3.841064 47.37376 
1 1 1   19   18   18 o  170.096   10.000  364.650   42.289  397.563   61.685  335.463   58.089  176.850   14.084  162.273   14.487 14.57678 20.20534 
1 1 1   19   18   19 o  350.574   17.876  1568.40  155.978  1710.93  232.268  1451.32  210.508  362.019   25.863  333.514   25.468 28.50452 36.29755 
1 1 1   19   18   20 o   96.403   16.773  121.329   38.912   47.834   90.424  138.032   43.107   77.817   30.991  102.825   17.409 -25.00788 35.54626 
1 1 1   19   18   21 o  287.434   18.133  1057.70  129.490  833.423  194.300  1236.92  173.684  248.491   32.060  308.829   22.680 -60.33795 39.27077 
1 1 1   19   18   22 o  282.734   12.579  1009.00   88.810  1362.32  170.999  878.497  103.926  324.690   21.206  262.508   15.929 62.18253 26.52244 
1 1 1   19   18   23 o  175.016   11.112  387.422   48.312  343.255   70.845  425.818   66.054  163.057   17.682  182.693   14.601 -19.63658 22.93105 
1 1 1   19   18   24 o  310.948   11.776  1220.51   91.442  1300.29  131.710  1146.27  127.052  318.843   16.600  299.103   17.081 19.73993 23.81820 
1 1 1   19   18   25 o   99.301   12.160  126.475   29.524  143.283   47.748  116.072   37.566  104.003   19.088   94.005   16.610 9.998444 25.30333 
1 1 1   19   18   26 f  422.753   14.672  2276.92  154.890  2307.90  222.081  2247.58  216.136  420.604   21.212  415.314   20.907 5.290253 29.78370 
1 1 1   19   18   27 o  264.692   11.056  885.911   73.081  1000.45  108.783  791.701   98.661  279.115   15.671  248.046   16.014 31.06914 22.40541 
1 1 1   19   18   28 o  276.008   11.199  964.890   77.188  1033.03  115.221  909.412  103.964  282.879   16.381  265.697   15.739 17.18198 22.71711 
1 1 1   19   18   29 o  212.206   10.111  569.581   53.582  627.633   83.281  528.575   69.993  220.497   15.218  202.829   13.903 17.66808 20.61257 
1 1 1   19   18   30 o  221.297   10.455  620.880   57.774  631.493   89.567  613.318   75.606  220.216   16.405  218.255   13.945 1.961136 21.53099 
1 1 1   19   18   31 o  154.961   10.392  306.115   39.979  286.821   64.879  317.926   50.762  146.981   18.056  157.016   13.065 -10.03487 22.28715 
1 1 1   19   18   32 o  158.005   10.530  318.819   41.309  294.848   67.072  333.469   52.434  148.548   18.481  160.612   13.190 -12.06436 22.70470 
1 1 1   19   18   33 o  149.791   10.660  287.190   39.615  234.082   64.326  319.638   50.280  130.971   20.327  157.186   12.924 -26.21445 24.08760 
1 1 1   19   18   34 o   66.571   13.975   59.360   22.492   36.380   37.470   72.305   28.122   55.964   20.506   73.080   15.865 -17.11606 25.92651 
1 1 1   19   18   35 o  122.940   10.914  194.724   33.158  201.754   52.274  189.991   42.892  122.270   17.630  119.988   14.617 2.281982 22.90141 
1 1 1   19   18   36 o  198.746   15.414  521.920   75.901   0.0000   0.0000  521.920   75.901  ?   ?   198.746   15.414 0.000000 15.41387 
1 1 1   19   19    0 o   54.927   18.101   36.999   28.792   33.193   30.197   75.060   95.490   53.462   18.533   85.174   32.422 -31.71154 37.34519 
1 1 1   19   19    1 o   84.952   16.817   94.925   34.414   80.560   36.724  198.456   98.589   77.847   19.047  119.747   32.249 -41.89981 37.45414 
1 1 1   19   19    2 o  367.829   15.392  1716.28  141.382  1722.95  169.195  1700.85  257.377  366.817   18.531  358.079   29.033 8.737518 34.44299 
1 1 1   19   19    3 o   86.513   28.753   95.135   72.593   95.135   72.593   0.0000   0.0000   86.513   28.753  ?   ?  0.000000 28.75281 
1 1 1   19   19    4 o  366.243   16.131  1703.08  147.533  1784.48  177.634  1522.06  264.892  373.186   19.125  337.018   31.853 36.16840 37.15335 
1 1 1   19   19    5 o  264.065   13.583  883.163   89.266  891.739  105.110  860.972  169.073  264.633   15.981  255.536   26.899 9.096405 31.28833 
1 1 1   19   19    6 o  204.976   12.435  531.600   63.347  503.297   72.617  621.719  129.578  198.892   14.725  217.960   24.216 -19.06801 28.34186 
1 1 1   19   19    7 o  228.636   13.192  661.893   74.998  660.041   87.353  667.088  146.275  227.729   15.452  224.903   26.557 2.825241 30.72568 
1 1 1   19   19    8 o  100.321   14.990  130.082   36.402  127.211   39.491  146.308   93.881   98.826   16.590  104.568   32.510 -5.742554 36.49830 
1 1 1   19   19    9 o  114.510   15.058  168.718   42.014  184.657   46.441   96.861   98.606  119.682   15.935   91.618   33.311 28.06422 36.92638 
1 1 1   19   19   10 o  186.218   15.391  442.063   70.929  447.816   87.505  431.042  121.112  186.428   19.064  179.796   27.877 6.632568 33.77271 
1 1 1   19   19   11 o  358.413   18.437  1640.94  164.460  1529.56  222.483  1775.12  244.192  342.070   26.245  368.336   26.730 -26.26505 37.46119 
1 1 1   19   19   12 o  295.084   13.684  1099.49  100.835  1112.05  119.938  1069.19  186.225  295.646   16.309  285.621   26.408 10.02460 31.03830 
1 1 1   19   19   13 o  237.570   13.389  714.496   79.108  709.108   93.142  728.448  149.867  236.011   15.896  235.580   25.903 0.4307098 30.39177 
1 1 1   19   19   14 o  152.848   13.989  297.522   52.801  333.881   60.291  177.846  109.382  161.740   15.102  114.402   35.013 47.33872 38.13136 
1 1 1   19   19   15 o  142.069   29.868  274.346  102.601   0.0000   0.0000  274.346  102.601  ?   ?   142.069   29.868 0.000000 29.86811 
1 1 1   19   19   16 o  111.830   14.983  160.977   40.789  168.803   45.085  125.680   95.742  114.270   16.258   98.851   33.027 15.41935 36.81151 
1 1 1   19   19   17 o  213.241   10.370  571.519   55.222  589.510   79.310  554.590   76.934  215.341   14.839  208.835   14.849 6.506714 20.99299 
1 1 1   19   19   18 o  282.355   12.032  1004.45   84.836  1092.33  121.110  919.789  118.874  292.806   16.632  268.195   17.851 24.61093 24.39867 
1 1 1   19   19   19 o  275.310   19.216  973.096  131.285  509.839  194.728  1359.13  177.759  188.467   42.401  324.222   22.087 -135.7549 47.80908 
1 1 1   19   19   20 o  126.140   15.294  204.536   47.190  171.122   97.503  214.758   53.927  111.800   32.792  128.829   17.192 -17.02905 37.02501 
1 1 1   19   19   21 o  302.022   13.719  1153.67  103.466  1409.95  191.538  1048.07  122.947  329.132   23.458  286.312   17.277 42.82071 29.13342 
1 1 1   19   19   22 o  250.638   11.118  791.371   69.585  837.547  100.158  748.287   96.747  256.257   15.728  242.044   16.098 14.21312 22.50585 
1 1 1   19   19   23 o  191.027   9.1916  458.589   43.846  574.581   65.545  364.640   58.989  212.918   12.381  169.042   14.103 43.87590 18.76634 
1 1 1   19   19   24 o  241.335   10.709  734.148   64.538  759.900   94.058  711.237   88.716  243.802   15.530  235.975   15.135 7.826904 21.68536 
1 1 1   19   19   25 o   50.235   15.503   32.200   21.394   22.625   38.829   36.374   25.636   52.329   20.473   53.638   17.033 -1.309189 26.63192 
1 1 1   19   19   26 o  181.459   10.863  417.342   48.999  403.776   73.316  428.292   65.870  176.650   16.823  182.767   14.553 -6.117691 22.24449 
1 1 1   19   19   27 o  313.064   12.092  1243.08   94.533  1301.48  137.513  1190.74  130.168  317.260   17.424  303.532   17.244 13.72827 24.51442 
1 1 1   19   19   28 o  288.924   11.375  1058.33   82.071  1161.03  121.455  972.029  111.335  299.847   16.282  274.260   16.330 25.58698 23.05998 
1 1 1   19   19   29 o  190.379   10.251  460.057   48.554  513.995   75.563  422.125   63.367  199.322   15.298  181.005   14.131 18.31732 20.82585 
1 1 1   19   19   30 o  202.460   10.507  521.288   52.939  545.390   82.234  504.230   69.182  204.571   16.231  197.675   14.107 6.895920 21.50475 
1 1 1   19   19   31 o  190.900   10.338  463.963   49.097  474.536   77.468  456.866   63.472  190.308   16.463  188.115   13.603 2.193512 21.35617 
1 1 1   19   19   32 o  272.853   10.949  948.511   74.600  977.149  114.780  927.566   98.161  272.727   16.937  267.288   14.764 5.438904 22.46843 
1 1 1   19   19   33 o  197.339   10.814  497.928   53.089  425.629   83.891  546.225   68.566  177.972   19.179  205.425   13.440 -27.45337 23.41957 
1 1 1   19   19   34 o   65.877   13.811   58.104   21.994   58.214   37.934   58.048   26.995   65.519   20.710   65.257   16.543 0.2617645 26.50634 
1 1 1   19   19   35 o  118.329   11.014  180.636   32.171  127.703   51.670  214.146   41.111   94.746   22.223  128.137   13.029 -33.39027 25.76078 
1 1 1   19   19   36 o  104.888   28.030  167.341   74.822   0.0000   0.0000  167.341   74.822  ?   ?   104.888   28.030 0.000000 28.03028 
1 1 1   19   20    0 o  174.947   13.294  389.398   57.645  381.933   64.392  419.522  129.358  172.795   15.074  175.112   30.701 -2.316635 34.20217 
1 1 1   19   20    1 o  164.761   13.423  345.626   54.748  359.458   61.148  289.724  122.927  167.718   14.750  143.484   34.690 24.23410 37.69578 
1 1 1   19   20    2 o  164.462   13.398  344.253   54.545  354.335   61.173  305.145  120.480  166.510   14.868  147.942   33.402 18.56770 36.56209 
1 1 1   19   20    3 o  249.121   13.407  786.887   83.098  774.510   96.139  823.454  165.243  246.453   15.703  249.268   26.977 -2.814957 31.21425 
1 1 1   19   20    4 o  229.620   23.952  690.831  135.319  690.831  135.319   0.0000   0.0000  229.620   23.952  ?   ?  0.000000 23.95173 
1 1 1   19   20    5 o  111.823   14.635  160.965   39.885  181.972   43.561   52.013   99.206  118.922   15.002   80.966   32.390 37.95599 35.69529 
1 1 1   19   20    6 o   98.481   15.078  125.626   35.901  113.688   38.652  200.660   96.901   93.091   17.262  120.580   31.745 -27.48927 36.13536 
1 1 1   19   20    7 o  264.364   13.513  885.341   88.912  908.888  104.684  824.377  168.443  267.180   15.760  249.536   27.487 17.64450 31.68487 
1 1 1   19   20    8 o  185.397   13.305  436.266   61.188  468.960   69.975  330.056  126.121  191.913   14.713  154.397   33.661 37.51619 36.73590 
1 1 1   19   20    9 o  244.581   12.890  756.936   78.448  784.740   91.610  680.493  151.901  248.517   14.829  226.631   27.397 21.88594 31.15251 
1 1 1   19   20   10 o  220.319   13.029  614.731   71.365  569.632   82.297  751.466  143.298  211.375   15.703  239.762   24.268 -28.38667 28.90560 
1 1 1   19   20   11 o  424.780   21.496  2324.58  227.280  2341.44  312.550  2305.66  331.096  420.302   29.975  415.246   32.181 5.056122 43.97903 
1 1 1   19   20   12 o  123.525   14.264  195.431   43.190  177.875   47.739  274.613  101.384  117.189   16.793  142.097   29.535 -24.90768 33.97570 
1 1 1   19   20   13 o  570.846   21.126  4183.70  301.148  4053.02  366.134  4457.00  529.484  557.671   26.291  571.931   37.277 -14.26025 45.61572 
1 1 1   19   20   14 o  270.802   13.152  925.670   88.942  890.823  104.689  1016.08  168.628  264.535   15.922  279.092   24.442 -14.55624 29.17027 
1 1 1   19   20   15 o   91.891   16.351  110.272   36.146   97.981   38.981  185.674   96.545   86.043   18.678  116.272   32.166 -30.22883 37.19526 
1 1 1   19   20   16 o  259.398   14.021  853.087   90.485  927.906  107.493  671.163  167.617  269.952   16.017  223.434   30.865 46.51854 34.77401 
1 1 1   19   20   17 o  126.005   14.493  203.464   44.774  192.102   50.160  248.012   99.321  121.811   16.949  134.595   30.283 -12.78427 34.70354 
1 1 1   19   20   18 o  248.038   13.589  779.747   83.847  872.732   99.462  551.362  155.878  261.951   15.271  201.449   32.061 60.50191 35.51183 
1 1 1   19   20   19 o  142.608   29.929  277.933  103.184  277.933  103.184   0.0000   0.0000  142.608   29.929  ?   ?  0.000000 29.92871 
1 1 1   19   20   20 o   89.237   15.983  104.105   34.308  180.279   92.072   91.824   36.970  114.371   31.318   83.237   18.286 31.13372 36.26585 
1 1 1   19   20   21 o  218.134   10.322  598.715   56.226  668.861   81.498  535.003   77.671  229.325   14.303  204.720   15.304 24.60493 20.94683 
1 1 1   19   20   22 o  154.866   10.419  303.273   40.060  352.450   59.618  262.790   54.092  166.072   14.522  143.005   15.390 23.06799 21.15940 
1 1 1   19   20   23 o  184.745   10.536  431.376   48.404  408.824   70.827  451.139   66.303  178.401   16.071  188.025   14.226 -9.624664 21.46307 
1 1 1   19   20   24 o  118.797   11.680  179.975   34.203  142.786   51.789  208.742   45.549  103.304   20.795  127.329   14.589 -24.02460 25.40216 
1 1 1   19   20   25 o  153.697   10.453  299.353   39.881  312.393   60.130  289.111   53.288  155.630   15.686  150.045   14.399 5.585800 21.29256 
1 1 1   19   20   26 o   92.650   12.559  110.809   28.309   90.847   45.754  123.191   36.034   81.847   21.939   97.046   15.382 -15.19836 26.79425 
1 1 1   19   20   27 o   82.399   13.159   88.451   26.166   63.420   43.914  102.230   32.582   69.683   22.310   88.136   15.362 -18.45340 27.08767 
1 1 1   19   20   28 o  242.083   11.573  743.894   69.963  738.643  103.524  748.308   94.921  238.152   17.531  240.593   15.888 -2.441406 23.65943 
1 1 1   19   20   29 o  151.786   10.361  293.170   39.038  343.388   61.990  260.164   50.255  162.547   15.458  141.689   14.404 20.85773 21.12849 
1 1 1   19   20   30 o  244.688   10.929  760.894   66.781  809.592  101.439  723.644   88.719  249.212   16.391  236.311   15.113 12.90048 22.29563 
1 1 1   19   20   31 o  167.889   10.238  359.171   42.720  386.884   68.703  341.701   54.547  171.745   16.211  162.510   13.565 9.234589 21.13793 
1 1 1   19   20   32 o  212.182   10.439  572.788   55.312  611.109   86.981  546.772   71.669  215.797   16.260  205.329   14.062 10.46785 21.49768 
1 1 1   19   20   33 o  128.906   10.441  212.946   33.322  184.911   55.848  228.443   41.522  116.195   19.967  132.756   12.679 -16.56100 23.65240 
1 1 1   19   20   34 o  117.996   11.038  179.426   32.146  188.688   53.696  174.252   40.133  117.706   18.908  115.089   14.270 2.616951 23.68861 
1 1 1   19   20   35 o  204.972   14.364  549.666   73.060   0.0000   0.0000  549.666   73.060  ?   ?   204.972   14.364 0.000000 14.36447 
1 1 1   19   21    0 o  300.134   13.658  1142.03  102.362  1122.07  119.390  1197.42  198.877  296.176   16.204  299.921   26.838 -3.744995 31.34995 
1 1 1   19   21    1 o  111.990   15.416  162.363   41.969  184.073   45.263   29.296  112.061  119.325   15.561   79.517   33.383 39.80839 36.83174 
1 1 1   19   21    2 o  250.836   13.580  799.055   84.749  804.373   98.114  783.427  168.197  250.953   15.736  241.703   28.409 9.249771 32.47562 
1 1 1   19   21    3 o  276.940   13.695  971.201   94.713  922.661  110.465  1105.93  184.035  268.592   16.550  289.486   25.726 -20.89417 30.58977 
1 1 1   19   21    4 o  107.269   16.812  149.956   43.554  149.956   43.554   0.0000   0.0000  107.269   16.812  ?   ?  0.000000 16.81173 
1 1 1   19   21    5 o   67.762   27.330   31.669   71.267   31.669   71.267   0.0000   0.0000   67.762   27.330  ?   ?  0.000000 27.33012 
1 1 1   19   21    6 o  134.926   14.037  232.874   46.602  255.260   51.360  128.557  110.871  141.150   14.791  100.901   35.482 40.24886 38.44119 
1 1 1   19   21    7 o  164.779   13.065  345.150   53.320  340.135   59.704  364.911  118.513  163.157   14.815  163.681   30.104 -0.5238800 33.55193 
1 1 1   19   21    8 o  269.527   13.469  918.437   90.653  874.563  106.061  1037.40  174.645  261.779   16.305  281.183   25.137 -19.40469 29.96257 
1 1 1   19   21    9 o  350.153   14.143  1551.84  123.667  1462.81  146.689  1770.60  229.936  338.361   17.420  367.918   25.178 -29.55673 30.61679 
1 1 1   19   21   10 o   88.727   16.796  103.311   35.851  114.901   38.441   25.889   99.354   93.628   17.070   75.693   31.581 17.93452 35.89893 
1 1 1   19   21   11 o  357.236   19.260  1637.61  171.183  1645.87  231.060  1627.56  254.866  354.054   26.322  349.946   29.438 4.107788 39.49014 
1 1 1   19   21   12 o  207.399   14.872  547.697   76.511  460.679   93.098  728.766  134.294  188.574   20.079  236.423   23.039 -47.84930 30.56098 
1 1 1   19   21   13 o  151.325   13.048  291.237   48.825  290.632   54.258  293.812  111.946  150.824   14.588  146.139   31.596 4.685516 34.80121 
1 1 1   19   21   14 o  194.281   13.293  478.995   64.106  470.606   73.149  506.772  133.104  192.041   15.382  194.669   28.202 -2.627762 32.12439 
1 1 1   19   21   15 o   87.459   18.116  101.037   38.265  101.037   38.265   0.0000   0.0000   87.459   18.116  ?   ?  0.000000 18.11641 
1 1 1   19   21   16 o  361.451   15.811  1658.87  142.716  1690.34  171.546  1588.12  257.209  363.073   18.987  345.104   30.149 17.96884 35.62904 
1 1 1   19   21   17 o  195.808   13.548  486.970   65.839  530.568   76.571  363.311  128.957  204.005   15.138  162.189   32.964 41.81590 36.27356 
1 1 1   19   21   18 o  104.502   15.958  141.780   40.324  163.127   44.418   41.734   96.158  112.152   16.340   77.853   31.624 34.29934 35.59628 
1 1 1   19   21   19 o  147.945   28.847  297.960  102.746  297.960  102.746   0.0000   0.0000  147.945   28.847  ?   ?  0.000000 28.84725 
1 1 1   19   21   20 o  256.712   25.891  871.153  163.708  871.153  163.708   0.0000   0.0000  256.712   25.891  ?   ?  0.000000 25.89073 
1 1 1   19   21   21 o  217.979   12.271  602.039   66.524  580.861   77.746  659.928  128.538  213.429   14.677  224.166   23.303 -10.73692 27.53934 
1 1 1   19   21   22 o   54.542   19.217   34.052   32.535   48.335   35.136 -51.8114   86.150   61.886   19.971   57.524   26.392 4.361862 33.09699 
1 1 1   19   21   23 o   84.315   12.147   91.678   24.838  125.248   40.360   71.214   31.511   97.567   17.193   73.130   17.491 24.43730 24.52643 
1 1 1   19   21   24 o  287.197   11.529  1042.73   82.683  1164.95  119.435  930.246  114.579  301.492   15.920  268.757   17.162 32.73434 23.40913 
1 1 1   19   21   25 o  162.884   10.186  336.014   41.224  378.944   62.129  302.247   55.101  171.778   14.623  153.299   14.569 18.47890 20.64165 
1 1 1   19   21   26 o  221.688   11.719  624.540   64.643  620.978   94.375  627.687   88.723  218.771   17.419  220.501   16.227 -1.730042 23.80649 
1 1 1   19   21   27 o  104.581   11.896  140.560   30.515  111.030   48.490  159.921   39.264   90.081   21.793  110.912   14.525 -20.83196 26.18998 
1 1 1   19   21   28 o  361.338   13.775  1670.63  124.291  1719.58  179.205  1625.25  172.534  361.382   19.935  351.484   19.737 9.898254 28.05264 
1 1 1   19   21   29 o  170.192   10.788  369.067   45.612  314.811   69.881  409.338   60.204  154.113   18.530  178.233   13.630 -24.12004 23.00254 
1 1 1   19   21   30 o  176.377   10.270  396.053   45.039  391.141   70.623  399.420   58.474  172.651   16.584  175.947   13.409 -3.295853 21.32743 
1 1 1   19   21   31 o  117.322   11.123  176.887   32.197  124.593   53.123  207.251   40.479   94.146   22.831  126.448   13.005 -32.30187 26.27507 
1 1 1   19   21   32 o  101.976   15.567  138.114   38.384  158.991   52.168  113.471   56.679  107.580   20.160   89.056   24.649 18.52368 31.84322 
1 1 1   19   21   33 o   53.333   17.815   36.273   27.858   49.044   37.941   21.336   41.035   61.447   20.789   51.737   20.784 9.709652 29.39654 
1 1 1   19   21   34 o   66.908   18.073   61.594   30.908   60.808   41.224   62.604   46.710   66.878   21.638   68.246   23.067 -1.367569 31.62725 
1 1 1   19   21   35 o  160.400   21.877  358.605   85.342   0.0000   0.0000  358.605   85.342  ?   ?   160.400   21.877 0.000000 21.87684 
1 1 1   19   22    0 o  162.690   15.557  340.663   62.432  290.316   70.735  518.153  132.811  148.778   19.509  195.247   28.044 -46.46904 34.16291 
1 1 1   19   22    1 o  222.245   14.099  629.884   77.842  665.586   89.005  513.727  160.543  227.904   15.735  190.658   35.010 37.24580 38.38360 
1 1 1   19   22    2 o  227.296   13.842  657.870   78.193  714.260   89.892  482.538  158.508  236.367   15.312  184.540   35.687 51.82681 38.83310 
1 1 1   19   22    3 o  382.557   16.657  1869.09  159.123  1954.53  190.290  1670.45  290.154  389.059   19.650  348.598   33.754 40.46066 39.05708 
1 1 1   19   22    4 o  198.198   13.360  499.647   65.739  509.189   74.467  465.947  139.944  199.602   15.051  183.945   31.605 15.65701 35.00568 
1 1 1   19   22    5 o  155.426   25.838  324.417   96.763  324.417   96.763   0.0000   0.0000  155.426   25.838  ?   ?  0.000000 25.83804 
1 1 1   19   22    6 o  201.701   18.553  525.400   92.403  597.751  119.359  417.176  145.980  213.548   22.732  172.337   35.113 41.21039 41.82864 
1 1 1   19   22    7 o  445.517   17.903  2538.16  199.178  2530.84  240.024  2554.35  356.937  442.414   21.726  433.669   33.212 8.744446 39.68688 
1 1 1   19   22    8 o  388.825   15.776  1922.56  153.178  1914.51  183.420  1941.13  278.477  386.430   19.007  381.264   29.478 5.166412 35.07484 
1 1 1   19   22    9 o  142.597   13.730  259.663   48.287  257.416   53.212  270.144  114.927  141.596   15.292  138.942   33.512 2.653610 36.83567 
1 1 1   19   22   10 o  198.361   13.203  499.607   65.028  524.708   74.052  415.035  135.929  202.902   14.715  173.500   32.570 29.40225 35.73955 
1 1 1   19   22   11 o  168.368   13.924  361.226   58.016  387.889   65.460  263.592  125.262  174.184   15.202  136.525   36.165 37.65936 39.23045 
1 1 1   19   22   12 o   80.070   19.177   85.334   37.838   75.336   40.724  148.453  102.322   75.350   20.907  105.219   34.094 -29.86862 39.99431 
1 1 1   19   22   13 o  144.901   33.206  292.479  117.581   0.0000   0.0000  292.479  117.581  ?   ?   144.901   33.206 0.000000 33.20600 
1 1 1   19   22   14 o  105.312   16.257  144.186   41.376  144.186   41.376   0.0000   0.0000  105.312   16.257  ?   ?  0.000000 16.25674 
1 1 1   19   22   15 o   67.490   18.526   60.122   32.172   65.920   33.931   8.5091  101.232   70.540   18.886   72.923   31.214 -2.382210 36.48271 
1 1 1   19   22   16 o  173.521   12.887  382.491   55.444  389.070   62.366  357.691  121.088  174.640   14.430  161.399   31.172 13.24063 34.34981 
1 1 1   19   22   17 o  173.801   13.046  383.952   56.206  381.245   63.173  394.234  123.127  172.751   14.786  170.050   30.096 2.701859 33.53260 
1 1 1   19   22   18 o  136.829   13.762  239.371   46.384  253.751   51.368  175.875  107.939  140.654   14.849  112.845   34.822 27.80865 37.85631 
1 1 1   19   22   19 o  203.190   25.386  548.173  126.001  548.173  126.001   0.0000   0.0000  203.190   25.386  ?   ?  0.000000 25.38641 
1 1 1   19   22   20 o   76.002   29.720   52.881   81.798   52.881   81.798   0.0000   0.0000   76.002   29.720  ?   ?  0.000000 29.72010 
1 1 1   19   22   21 o  250.839   12.499  795.934   78.296  766.907   91.892  872.835  149.569  245.063   15.089  257.560   23.514 -12.49731 27.93909 
1 1 1   19   22   22 o  165.990   13.419  351.685   55.145  373.685   63.501  284.203  111.214  170.665   15.054  142.091   32.100 28.57399 35.45503 
1 1 1   19   22   23 o   89.285   17.907  105.927   38.536  121.916   42.394   29.876   92.458   95.816   18.387   73.438   30.538 22.37730 35.64578 
1 1 1   19   22   24 o  306.794   14.595  1200.55  111.816  1307.83  135.105  967.300  199.216  318.576   17.045  264.732   30.705 53.84348 35.11845 
1 1 1   19   22   25 o  250.957   14.215  806.021   88.716  908.060  107.082  582.703  158.415  265.448   16.232  203.139   32.311 62.30870 36.15895 
1 1 1   19   22   26 o  197.475   13.542  499.564   66.375  502.854   78.867  491.574  122.896  197.079   16.168  189.242   26.751 7.837646 31.25752 
1 1 1   19   22   27 o  196.752   10.949  492.169   53.584  495.533   79.381  489.354   72.628  195.268   16.432  194.648   15.059 0.6201324 22.28852 
1 1 1   19   22   28 o  197.389   11.580  497.119   56.830  419.636   84.111  562.202   77.088  177.950   19.234  208.529   14.902 -30.57918 24.33110 
1 1 1   19   22   29 o  140.630   14.164  256.697   49.065  253.639   59.570  263.148   86.518  138.369   17.642  136.498   26.336 1.870407 31.69899 
1 1 1   19   22   30 o  176.073   14.922  403.619   64.993  444.445   86.805  351.534   98.047  182.361   19.358  158.116   25.716 24.24538 32.18711 
1 1 1   19   22   31 o  181.134   13.965  425.802   62.678  344.888   84.443  525.078   93.534  158.594   21.907  198.098   19.147 -39.50374 29.09455 
1 1 1   19   22   32 o  103.507   15.508  142.336   38.851  149.186   52.335  133.927   57.985  103.664   20.938   96.741   24.093 6.923409 31.91989 
1 1 1   19   22   33 o   71.714   12.813   68.071   22.104   62.674   42.838   70.030   25.805   67.929   22.064   72.168   14.815 -4.239693 26.57654 
1 1 1   19   22   34 o  128.676   13.721  216.886   43.408   0.0000   0.0000  216.886   43.408  ?   ?   128.676   13.721 0.000000 13.72055 
1 1 1   19   23    0 o  109.260   14.937  155.128   39.687  143.835   42.014  248.653  120.911  104.652   16.633  130.227   35.985 -25.57439 39.64287 
1 1 1   19   23    1 o  304.697   18.289  1201.57  138.515  1205.82  179.388  1195.30  217.984  301.437   24.031  295.390   29.966 6.047058 38.41158 
1 1 1   19   23    2 o  188.514   13.645  453.803   63.799  486.702   71.230  320.347  143.465  194.905   14.744  147.369   38.545 47.53627 41.26841 
1 1 1   19   23    3 o  282.600   14.435  1018.69  101.529  1078.66  118.337  851.413  197.639  289.934   16.412  247.740   32.749 42.19472 36.63163 
1 1 1   19   23    4 o  227.380   13.815  658.750   78.069  692.694   89.129  546.876  161.807  232.615   15.431  197.379   34.059 35.23624 37.39168 
1 1 1   19   23    5 o  189.516   13.049  457.079   61.378  489.933   68.753  328.100  136.224  195.922   14.148  150.978   36.528 44.94421 39.17217 
1 1 1   19   23    6 o  223.773   24.092  662.039  132.504  662.039  132.504   0.0000   0.0000  223.773   24.092  ?   ?  0.000000 24.09175 
1 1 1   19   23    7 o  203.619   13.825  528.112   69.881  592.940   79.574  309.570  146.103  215.480   14.879  145.811   39.255 69.66866 41.98003 
1 1 1   19   23    8 o  539.119   20.576  3753.17  277.007  3800.04  335.691  3653.14  490.399  538.278   24.974  509.811   38.812 28.46735 46.15239 
1 1 1   19   23    9 o  203.362   13.318  525.798   67.260  552.059   76.455  435.900  141.458  207.964   14.819  176.997   33.225 30.96687 36.37970 
1 1 1   19   23   10 o  195.055   13.677  484.285   66.199  508.466   75.212  401.150  139.458  199.443   15.216  169.223   34.178 30.21970 37.41246 
1 1 1   19   23   11 f  208.847   13.073  553.918   67.836  544.437   77.129  586.304  142.552  206.478   15.063  208.884   28.036 -2.406113 31.82632 
1 1 1   19   23   12 f  316.117   16.949  1278.89  133.307  1078.00  173.119  1571.51  208.941  286.379   24.442  346.185   24.324 -59.80646 34.48255 
1 1 1   19   23   13 o  297.178   17.237  1131.53  127.370  1058.02  164.437  1241.80  201.387  284.316   23.367  306.130   26.608 -21.81354 35.41220 
1 1 1   19   23   14 o   92.274   16.232  111.479   36.036  103.464   38.150  177.860  109.786   88.438   17.889  113.298   35.145 -24.85983 39.43568 
1 1 1   19   23   15 o  243.827   14.098  756.202   85.475  789.074   99.279  662.029  168.037  248.406   16.091  220.243   31.446 28.16359 35.32355 
1 1 1   19   23   16 o  316.712   14.677  1273.69  116.081  1283.43  137.267  1249.26  217.488  316.390   17.441  305.350   28.865 11.03943 33.72493 
1 1 1   19   23   17 o   77.793   17.951   80.482   34.164   71.769   36.144  153.559  104.674   73.403   19.418  106.270   34.489 -32.86726 39.57953 
1 1 1   19   23   18 o  150.537   14.365  290.205   53.345  316.723   59.449  180.607  120.856  157.052   15.355  114.096   37.060 42.95592 40.11527 
1 1 1   19   23   19 o  163.415   27.190  361.806  107.059  361.806  107.059   0.0000   0.0000  163.415   27.190  ?   ?  0.000000 27.19039 
1 1 1   19   23   20 o  236.173   25.404  742.757  147.470  742.757  147.470   0.0000   0.0000  236.173   25.404  ?   ?  0.000000 25.40421 
1 1 1   19   23   21 o  213.506   13.438  580.800   71.279  647.396   83.208  397.196  138.160  224.954   14.896  167.214   34.239 57.74060 37.33948 
1 1 1   19   23   22 o  125.744   14.690  204.107   45.257  215.215   50.348  157.367  103.277  128.783   16.001  106.234   34.235 22.54880 37.78990 
1 1 1   19   23   23 o  124.067   15.189  199.459   46.074  228.932   51.801   87.825  100.813  132.806   15.938   87.792   33.338 45.01378 36.95220 
1 1 1   19   23   24 o   59.095   19.329   44.134   32.855   31.130   35.248  130.254   90.709   53.948   19.870   97.282   32.132 -43.33362 37.77937 
1 1 1   19   23   25 o  248.774   14.155  793.322   87.575  890.388  104.587  565.601  160.194  262.657   16.022  198.400   33.528 64.25664 37.15980 
1 1 1   19   23   26 o  149.807   13.813  289.217   51.092  303.759   59.032  245.802  102.000  152.887   15.684  129.981   31.707 22.90575 35.37408 
1 1 1   19   23   27 o   66.000   19.569   58.336   34.563   67.127   38.144   17.998   81.709   70.456   20.466   66.456   28.234 4.000542 34.87098 
1 1 1   19   23   28 o  104.000   18.290  145.259   45.766  163.704   54.676  102.091   83.645  109.555   20.745   86.970   30.794 22.58516 37.12972 
1 1 1   19   23   29 o  135.126   15.884  239.963   52.574  248.620   65.847  224.740   87.319  135.659   20.041  124.199   28.726 11.45998 35.02592 
1 1 1   19   23   30 o   97.899   17.568  129.193   41.372  116.011   50.900  154.854   71.019   90.847   22.544  103.132   27.190 -12.28551 35.31969 
1 1 1   19   23   31 o  186.349   9.6037  441.969   44.539  550.477   70.377  369.476   57.524  206.040   13.757  168.629   13.781 37.41188 19.47243 
1 1 1   19   23   32 o   68.336   12.404   61.723   20.387   99.712   40.981   49.229   23.502   84.727   19.736   60.291   15.519 24.43679 25.10652 
1 1 1   19   23   33 o   88.369   12.026  102.007   25.849   96.885   46.724  104.267   31.030   82.590   22.184   88.501   14.546 -5.910057 26.52753 
1 1 1   19   23   34 o   82.489   25.130   98.763   56.431   0.0000   0.0000   98.763   56.431  ?   ?    82.489   25.130 0.000000 25.12954 
1 1 1   19   24    0 f   62.012   19.027   50.491   32.280   62.536   33.522 -103.0229  119.676   68.227   18.982   62.356   29.427 5.871231 35.01779 
1 1 1   19   24    1 o  263.451   13.559  887.109   88.900  876.069  101.303  924.094  185.421  260.820   15.626  258.480   29.241 2.340302 33.15377 
1 1 1   19   24    2 o  122.105   17.581  195.934   52.063  211.953   57.424  121.956  123.401  126.688   18.715   98.588   37.009 28.10006 41.47131 
1 1 1   19   24    3 o  118.410   14.546  181.413   42.107  165.971   44.829  297.123  122.711  112.644   16.420  143.014   34.711 -30.37061 38.39866 
1 1 1   19   24    4 o  143.516   13.866  264.411   49.074  271.831   53.182  221.860  127.351  145.240   14.873  123.207   37.792 22.03349 40.61306 
1 1 1   19   24    5 o  377.925   15.553  1825.12  146.783  1830.74  173.737  1811.12  274.368  376.742   18.467  363.905   30.473 12.83691 35.63167 
1 1 1   19   24    6 o  221.055   12.984  621.824   71.357  619.880   80.252  629.166  155.941  220.135   14.683  214.071   29.994 6.063248 33.39542 
1 1 1   19   24    7 o  149.777   26.090  304.495   94.037  304.495   94.037   0.0000   0.0000  149.777   26.090  ?   ?  0.000000 26.09034 
1 1 1   19   24    8 o  143.762   13.441  264.399   47.694  273.390   51.644  212.281  124.345  145.967   14.354  121.668   37.347 24.29917 40.01036 
1 1 1   19   24    9 o  364.184   15.666  1691.81  142.476  1725.49  169.278  1609.98  263.846  365.788   18.593  343.719   31.076 22.06866 36.21314 
1 1 1   19   24   10 o  319.796   14.270  1299.51  113.956  1296.62  134.020  1307.05  216.514  317.895   16.944  312.029   28.088 5.865295 32.80271 
1 1 1   19   24   11 o   62.916   18.571   51.789   31.186   49.678   32.569   75.070  108.149   62.028   19.126   87.228   34.156 -25.19963 39.14630 
1 1 1   19   24   12 o  153.761   13.469  301.946   51.197  306.712   56.177  278.585  124.376  154.645   14.725  139.449   35.596 15.19545 38.52096 
1 1 1   19   24   13 o  224.290   20.463  655.269  113.352  655.269  113.352   0.0000   0.0000  224.290   20.463  ?   ?  0.000000 20.46326 
1 1 1   19   24   14 o  165.304   13.624  348.815   55.736  377.363   61.890  226.298  128.214  171.715   14.571  125.567   37.795 46.14840 40.50667 
1 1 1   19   24   15 o  326.321   14.946  1355.09  121.795  1411.39  144.043  1213.89  228.123  331.471   17.463  298.466   31.062 33.00494 35.63478 
1 1 1   19   24   16 o  117.283   14.601  177.460   41.838  171.143   44.840  219.953  116.302  114.753   16.090  124.075   35.649 -9.321625 39.11163 
1 1 1   19   24   17 o  213.183   12.009  576.443   63.673  520.696   71.056  803.648  143.449  201.952   14.180  246.750   23.567 -44.79811 27.50373 
1 1 1   19   24   18 o   89.901   16.652  106.513   36.007   94.345   38.218  202.647  107.423   84.044   18.693  119.325   34.254 -35.28104 39.02273 
1 1 1   19   24   19 o  168.000   13.313  360.372   55.392  376.229   62.083  298.464  122.668  171.283   14.656  144.231   34.519 27.05208 37.50098 
1 1 1   19   24   20 o  245.125   25.411  804.206  153.285  804.206  153.285   0.0000   0.0000  245.125   25.411  ?   ?  0.000000 25.41067 
1 1 1   19   24   21 o  159.820   13.629  327.178   53.872  338.999   60.528  282.116  118.174  162.241   15.114  139.736   34.154 22.50534 37.34869 
1 1 1   19   24   22 o  133.102   13.930  228.094   45.615  240.023   50.666  177.049  104.808  136.205   15.153  111.123   34.317 25.08242 37.51374 
1 1 1   19   24   23 o  124.535   14.419  200.639   44.010  210.358   48.567  156.022  104.062  127.180   15.621  104.951   34.404 22.22934 37.78396 
1 1 1   19   24   24 f  143.403   13.371  264.402   47.331  274.624   53.045  224.479  104.829  145.714   14.783  123.830   33.215 21.88383 36.35569 
1 1 1   19   24   25 o   37.336   16.195  -2.7169   27.961  -6.6594   29.492   32.322   87.923   37.151   16.362   71.498   29.759 -34.34632 33.96037 
1 1 1   19   24   26 o  153.675   13.812  304.829   52.439  357.459   60.301  141.564  106.208  166.164   14.684   99.821   34.749 66.34324 37.72358 
1 1 1   19   24   27 o   81.263   18.780   89.908   37.344   95.019   41.213   66.457   88.282   83.233   20.064   78.462   30.819 4.771088 36.77437 
1 1 1   19   24   28 o  131.596   16.369  228.387   52.629  221.544   62.999  244.191   95.748  127.758   20.435  128.650   30.303 -0.8914566 36.54955 
1 1 1   19   24   29 o   66.247   19.678   59.594   34.926   70.252   39.492   21.334   74.825   71.490   20.841   64.139   27.121 7.351082 34.20394 
1 1 1   19   24   30 o  102.385   16.654  140.396   41.116  150.699   48.057  112.255   79.420  105.155   19.000   88.349   30.077 16.80582 35.57596 
1 1 1   19   24   31 o  157.794   13.732  324.218   53.569  371.107   65.691  231.140   92.553  167.777   15.868  123.599   30.235 44.17722 34.14600 
1 1 1   19   24   32 o  176.688   13.031  404.975   57.088  402.120   70.149  410.574   98.237  174.242   16.312  170.966   23.642 3.275665 28.72349 
1 1 1   19   24   33 o   82.858   26.494   99.717   61.942   0.0000   0.0000   99.717   61.942  ?   ?    82.858   26.494 0.000000 26.49373 
1 1 1   19   25    0 f   78.530   17.699   83.439   33.877   83.576   35.191   81.709  125.135   78.450   18.299   88.530   36.032 -10.07988 40.41186 
1 1 1   19   25    1 o  131.364   14.165  223.708   45.733  230.794   48.694  170.697  133.182  133.199   14.894  108.079   38.794 25.11906 41.55481 
1 1 1   19   25    2 o  194.453   12.775  483.976   61.689  459.206   67.656  606.103  150.229  188.739   14.465  207.339   29.877 -18.60081 33.19477 
1 1 1   19   25    3 o   36.843   15.843  -0.8636   26.298   0.1455   27.044 -18.3926  112.721   37.700   16.135   70.376   31.432 -32.67617 35.33117 
1 1 1   19   25    4 o  154.236   12.790  304.620   48.817  314.487   52.660  244.329  130.176  156.475   13.612  127.450   38.021 29.02588 40.38402 
1 1 1   19   25    5 o  141.927   12.868  258.123   45.112  224.445   47.985  514.360  132.357  131.693   14.850  193.048   28.295 -61.35507 31.95571 
1 1 1   19   25    6 o   42.252   16.781   12.876   26.444   16.801   27.211 -53.8074  112.152   44.354   17.198   65.933   30.200 -21.57953 34.75306 
1 1 1   19   25    7 o  135.594   13.664  236.247   45.635  221.587   48.681  342.526  131.071  130.841   15.181  153.653   34.948 -22.81201 38.10341 
1 1 1   19   25    8 o  198.043   24.095  524.702  116.706  524.702  116.706   0.0000   0.0000  198.043   24.095  ?   ?  0.000000 24.09494 
1 1 1   19   25    9 o  274.050   13.841  957.899   94.418  969.934  109.261  922.411  187.622  274.809   15.991  259.590   29.465 15.21967 33.52446 
1 1 1   19   25   10 o   91.290   16.340  109.751   35.883  107.559   37.739  130.417  115.872   90.073   17.408  100.310   36.165 -10.23769 40.13678 
1 1 1   19   25   11 o   74.344   26.497   66.095   62.029  127.464   75.436 -62.0303  108.999   96.261   28.994   64.192   29.538 32.06890 41.39048 
1 1 1   19   25   12 o  277.584   15.807  988.069  109.119  988.069  109.119   0.0000   0.0000  277.584   15.807  ?   ?  0.000000 15.80731 
1 1 1   19   25   13 o  186.918   12.517  444.657   58.089  426.325   64.126  528.500  137.140  182.517   14.181  196.523   28.799 -14.00536 32.10126 
1 1 1   19   25   14 o  167.911   15.561  363.031   64.507  320.363   73.378  508.175  135.337  156.406   19.190  192.490   29.060 -36.08467 34.82439 
1 1 1   19   25   15 o   78.422   17.323   81.927   33.019   69.541   34.524  214.793  113.071   72.088   18.934  122.115   35.169 -50.02753 39.94183 
1 1 1   19   25   16 o  176.179   13.534  396.666   59.090  418.259   65.508  302.383  136.883  180.586   14.653  143.329   37.729 37.25777 40.47399 
1 1 1   19   25   17 o  104.480   15.127  142.065   38.320  136.348   40.654  187.598  114.736  101.924   16.540  114.500   35.996 -12.57555 39.61406 
1 1 1   19   25   18 o   61.634   18.562   49.696   30.920   55.492   32.228 -17.4010  109.655   64.771   18.811   70.299   31.224 -5.528008 36.45290 
1 1 1   19   25   19 o  196.620   13.328  493.846   65.051  502.991   73.119  459.129  142.466  197.886   14.906  179.776   32.949 18.10963 36.16349 
1 1 1   19   25   20 o  154.685   27.322  330.293  101.681  330.293  101.681   0.0000   0.0000  154.685   27.322  ?   ?  0.000000 27.32249 
1 1 1   19   25   21 o  115.907   15.142  174.778   42.780  179.340   46.132  146.757  114.325  117.101   16.211  103.074   36.042 14.02727 39.51998 
1 1 1   19   25   22 o  155.370   13.657  310.308   52.449  320.454   58.391  267.930  119.334  157.437   15.035  134.429   35.151 23.00771 38.23138 
1 1 1   19   25   23 o  209.155   13.286  560.405   69.031  600.873   79.788  439.941  137.661  215.915   14.889  174.396   32.814 41.51912 36.03412 
1 1 1   19   25   24 o  100.038   16.139  132.174   38.946  123.222   42.151  184.425  101.831   95.821   18.282  111.738   33.694 -15.91613 38.33471 
1 1 1   19   25   25 f   72.161   19.057   70.778   34.850   68.534   37.386   85.657   96.253   71.043   20.146   84.743   32.481 -13.70057 38.22176 
1 1 1   19   25   26 o   62.241   19.188   51.426   32.782   45.068   35.100   94.858   91.733   59.570   19.997   85.909   31.975 -26.33893 37.71291 
1 1 1   19   25   27 o  214.931   16.778  606.020   89.337  709.256  115.517  452.389  140.920  230.103   20.312  173.398   33.759 56.70461 39.39838 
1 1 1   19   25   28 o  147.620   16.049  286.936   58.209  283.321   70.119  294.950  104.399  144.723   19.931  140.902   30.551 3.820801 36.47757 
1 1 1   19   25   29 o  170.174   13.517  375.677   56.968  391.973   66.650  331.490  109.752  172.783   15.616  149.064   30.512 23.71907 34.27563 
1 1 1   19   25   30 o  251.408   13.679  819.627   85.556  938.625  104.463  577.182  149.107  267.531   15.705  196.005   31.533 71.52582 35.22755 
1 1 1   19   25   31 o   62.295   20.036   52.073   35.386   42.754   39.500   89.958   79.641   58.971   21.131   81.172   29.872 -22.20043 36.59064 
1 1 1   19   25   32 o  335.488   29.573  1668.82  245.220   0.0000   0.0000  1668.82  245.220  ?   ?   335.488   29.573 0.000000 29.57294 
1 1 1   19   25   33 o  125.265   25.619  229.606   77.435   0.0000   0.0000  229.606   77.435  ?   ?   125.265   25.619 0.000000 25.61869 
1 1 1   19   26    0 f   58.524   18.293   45.399   29.680   48.153   30.525  -2.3274  127.057   60.060   18.515   74.244   33.250 -14.18440 38.05722 
1 1 1   19   26    1 o   49.724   17.998   28.046   28.737   26.890   29.546   48.290  123.630   49.489   18.197   81.478   34.675 -31.98885 39.15990 
1 1 1   19   26    2 o  181.873   12.320  424.475   55.622  400.631   59.873  574.720  150.294  176.097   13.724  198.664   31.334 -22.56696 34.20715 
1 1 1   19   26    3 o  200.532   13.194  516.881   65.700  523.659   72.277  484.641  157.631  201.267   14.477  178.405   36.609 22.86140 39.36806 
1 1 1   19   26    4 o   99.548   18.326  133.008   43.878  120.623   46.558  231.390  131.220   93.993   20.420  122.236   38.506 -28.24259 43.58529 
1 1 1   19   26    5 o   94.140   16.312  117.461   36.958  121.446   38.759   77.536  122.680   95.587   16.854   88.139   35.749 7.448029 39.52285 
1 1 1   19   26    6 o  130.105   14.192  219.081   45.361  229.682   48.569  146.695  126.917  133.024   14.876  103.178   37.750 29.84607 40.57480 
1 1 1   19   26    7 o   93.560   16.251  115.736   36.590  119.288   38.370   80.103  121.528   94.847   16.816   88.987   35.760 5.859528 39.51643 
1 1 1   19   26    8 o  262.457   13.210  879.877   86.302  887.579   97.619  852.315  184.658  262.787   14.937  246.701   30.633 16.08559 34.08136 
1 1 1   19   26    9 o  149.421   25.761  306.540   92.651  306.540   92.651   0.0000   0.0000  149.421   25.761  ?   ?  0.000000 25.76086 
1 1 1   19   26   10 o  159.648   35.709  374.427  138.795   0.0000   0.0000  374.427  138.795  ?   ?   159.648   35.709 0.000000 35.70860 
1 1 1   19   26   11 o   57.017   18.566   41.073   30.325   41.073   30.325   0.0000   0.0000   57.017   18.566  ?   ?  0.000000 18.56634 
1 1 1   19   26   12 f  162.594   12.788  337.977   51.503  324.842   55.835  412.904  133.355  158.947   14.217  170.162   32.569 -11.21410 35.53730 
1 1 1   19   26   13 o  137.083   14.018  242.001   47.312  250.087   50.963  191.549  127.299  139.108   14.903  114.904   38.070 24.20361 40.88310 
1 1 1   19   26   14 f  165.254   12.945  349.241   52.992  331.499   57.793  442.918  132.798  160.466   14.582  177.316   31.127 -16.84967 34.37287 
1 1 1   19   26   15 o  285.901   17.047  1056.68  121.150  961.623  152.901  1217.01  198.583  268.975   22.985  299.614   26.826 -30.63855 35.32580 
1 1 1   19   26   16 o  124.570   14.308  200.582   43.701  205.998   46.673  162.070  124.462  126.012   15.135  107.571   37.607 18.44068 40.53802 
1 1 1   19   26   17 o  204.923   12.475  535.458   63.536  476.906   70.105  804.712  150.334  192.571   14.689  244.349   24.989 -51.77765 28.98654 
1 1 1   19   26   18 o   84.142   17.271   94.526   35.073   98.963   36.869   52.298  113.740   86.011   17.754   82.432   34.040 3.579483 38.39161 
1 1 1   19   26   19 o  194.357   13.181  483.501   63.594  490.467   70.622  453.635  146.233  195.225   14.592  176.509   34.413 18.71657 37.37853 
1 1 1   19   26   20 o  159.901   14.662  330.220   57.894  330.220   57.894   0.0000   0.0000  159.901   14.662  ?   ?  0.000000 14.66208 
1 1 1   19   26   21 o  160.907   26.259  358.328  101.871  358.328  101.871   0.0000   0.0000  160.907   26.259  ?   ?  0.000000 26.25866 
1 1 1   19   26   22 o   70.786   18.229   67.747   32.416   72.662   34.052   20.231  105.873   73.232   18.588   74.007   31.806 -0.7745285 36.83929 
1 1 1   19   26   23 o  149.085   13.441  286.661   49.501  283.941   54.437  299.650  118.967  147.818   14.953  141.447   34.083 6.370728 37.21882 
1 1 1   19   26   24 o   95.738   16.281  121.818   37.530  102.898   40.204  250.027  104.656   86.952   19.043  129.492   32.434 -42.53983 37.61137 
1 1 1   19   26   25 o  216.242   13.801  603.440   74.136  697.439   86.245  337.414  145.090  231.880   14.974  145.060   39.146 86.82005 41.91238 
1 1 1   19   26   26 f  111.622   15.992  164.973   43.302  194.188   47.626   25.651  104.004  121.199   16.137   73.238   31.501 47.96075 35.39379 
1 1 1   19   26   27 o  286.301   18.737  1090.22  133.223  1246.07  177.388  888.586  201.770  300.620   23.825  241.933   34.363 58.68660 41.81425 
1 1 1   19   26   28 o   51.154   19.335   27.436   33.807   9.9092   36.612  128.862   88.074   46.058   19.190   93.301   31.674 -47.24284 37.03355 
1 1 1   19   26   29 o  168.010   13.085  366.157   54.464  383.271   62.728  313.737  109.783  171.015   14.836  143.357   31.524 27.65814 34.84079 
1 1 1   19   26   30 o  136.509   14.574  245.094   48.915  233.534   55.208  287.304  105.495  131.960   17.160  136.457   31.584 -4.497162 35.94408 
1 1 1   19   26   31 o  260.808   13.669  885.050   88.714  910.900  106.201  825.364  161.376  262.399   16.288  237.652   27.713 24.74629 32.14489 
1 1 1   19   26   32 o  221.973   26.036  712.481  141.576   0.0000   0.0000  712.481  141.576  ?   ?   221.973   26.036 0.000000 26.03562 
1 1 1   19   27    0 o  164.028   23.917  381.722   95.084  381.722   95.084   0.0000   0.0000  164.028   23.917  ?   ?  0.000000 23.91695 
1 1 1   19   27    1 o  159.963   13.626  333.409   53.910  329.447   57.654  360.977  152.071  158.449   14.740  144.722   40.489 13.72702 43.08826 
1 1 1   19   27    2 o  168.709   12.941  368.410   54.104  358.611   57.907  435.763  151.815  165.887   14.113  164.075   37.827 1.811874 40.37402 
1 1 1   19   27    3 f  160.201   13.418  332.638   53.186  335.334   57.173  315.306  144.978  160.400   14.428  137.710   39.870 22.69060 42.40036 
1 1 1   19   27    4 o   73.399   18.200   73.602   33.194   81.009   34.451 -22.3738  124.018   77.017   18.201   71.297   32.307 5.720215 37.08148 
1 1 1   19   27    5 o  157.481   17.072  327.105   66.060  350.623   74.827  244.012  140.652  162.197   18.824  122.892   39.983 39.30496 44.19308 
1 1 1   19   27    6 o   77.455   17.603   81.261   33.274   79.508   34.529  104.079  124.576   76.441   18.326   92.415   36.511 -15.97488 40.85220 
1 1 1   19   27    7 o   67.716   17.988   62.049   30.933   57.919   31.994  121.238  121.110   65.552   18.653   95.869   36.508 -30.31639 40.99760 
1 1 1   19   27    8 o  165.875   13.272  354.094   54.516  353.482   59.142  357.552  140.609  165.270   14.476  152.503   37.244 12.76668 39.95799 
1 1 1   19   27    9 o  174.630   36.672  460.560  154.831   0.0000   0.0000  460.560  154.831  ?   ?   174.630   36.672 0.000000 36.67209 
1 1 1   19   27   10 o  220.684   23.747  659.313  128.809  659.313  128.809   0.0000   0.0000  220.684   23.747  ?   ?  0.000000 23.74745 
1 1 1   19   27   11 o  125.142   14.643  203.484   44.894  241.595   48.041 -59.0941  126.101  136.608   14.294   68.775   31.693 67.83317 34.76730 
1 1 1   19   27   12 o  106.393   15.438  148.383   39.818  157.829   42.128   69.271  121.915  109.654   15.845   86.645   35.449 23.00942 38.82851 
1 1 1   19   27   13 o  119.944   13.790  186.217   40.553  191.564   42.936  142.014  123.451  121.472   14.437  101.758   37.230 19.71478 39.93168 
1 1 1   19   27   14 o  243.627   13.595  760.736   82.380  811.653   94.018  592.428  170.937  250.938   15.073  200.676   35.405 50.26210 38.48004 
1 1 1   19   27   15 o  114.117   17.556  172.410   48.425  180.654   52.783  128.577  121.705  116.408   18.798   98.612   36.805 17.79646 41.32769 
1 1 1   19   27   16 o  205.858   16.526  550.867   84.237  551.850  100.188  548.494  155.601  204.267   19.894  194.560   33.219 9.706360 38.72022 
1 1 1   19   27   17 o  276.812   13.294  978.854   91.898  925.897  104.681  1156.83  191.904  267.598   15.734  290.185   26.785 -22.58710 31.06433 
1 1 1   19   27   18 o   53.523   17.785   35.809   27.775   31.507   28.562  110.677  119.152   51.576   18.016   94.114   36.123 -42.53725 40.36678 
1 1 1   19   27   19 o  174.723   13.080  392.084   56.656  377.751   61.879  466.396  140.898  170.884   14.642  178.880   32.749 -7.996399 35.87325 
1 1 1   19   27   20 o  161.415   12.629  334.488   50.499  300.373   54.217  557.952  138.760  152.269   14.431  198.804   28.788 -46.53452 32.20270 
1 1 1   19   27   21 o  238.765   24.775  781.177  145.566  781.177  145.566   0.0000   0.0000  238.765   24.775  ?   ?  0.000000 24.77467 
1 1 1   19   27   22 o   42.754   16.911   14.269   26.755   8.2448   27.512  119.306  114.878   40.765   16.777   94.417   35.652 -53.65216 39.40208 
1 1 1   19   27   23 o  106.486   14.837  148.979   38.382  148.392   40.804  153.483  113.096  105.888   15.924  101.866   35.835 4.022301 39.21397 
1 1 1   19   27   24 f   76.285   18.494   79.617   34.864   86.082   36.852   24.476  107.620   79.245   18.889   73.955   31.926 5.290398 37.09566 
1 1 1   19   27   25 o  177.418   13.568  407.733   59.657  452.192   67.221  242.859  129.449  186.393   14.557  122.218   38.204 64.17528 40.88342 
1 1 1   19   27   26 o  317.240   15.092  1308.95  119.557  1593.40  143.235  655.531  217.094  348.708   16.449  192.801   45.774 155.9072 48.64016 
1 1 1   19   27   27 o  325.677   19.767  1427.56  160.004  1541.64  214.483  1284.42  240.263  329.579   26.279  289.759   33.842 39.82019 42.84717 
1 1 1   19   27   28 o  128.019   14.833  216.089   46.540  230.188   51.497  153.250  108.720  131.627   15.996   99.150   35.107 32.47724 38.57974 
1 1 1   19   27   29 o  157.729   14.095  325.754   54.931  361.204   62.411  203.891  115.715  165.493   15.274  111.087   36.272 54.40656 39.35709 
1 1 1   19   27   30 o   59.739   20.024   47.040   35.196   35.221   37.802  123.990   96.453   55.297   20.537   90.732   32.952 -35.43505 38.82812 
1 1 1   19   27   31 o  115.669   33.533  217.648  102.493   0.0000   0.0000  217.648  102.493  ?   ?   115.669   33.533 0.000000 33.53308 
1 1 1   19   28    0 o  166.905   20.927  391.254   85.306  467.079  100.562  196.662  161.098  180.733   22.788  102.937   41.241 77.79588 47.11776 
1 1 1   19   28    1 o  124.341   26.144  230.355   78.603  230.355   78.603   0.0000   0.0000  124.341   26.144  ?   ?  0.000000 26.14421 
1 1 1   19   28    2 o  190.411   12.568  470.688   59.424  465.912   63.909  501.173  161.464  188.799   13.647  171.724   38.592 17.07494 40.93444 
1 1 1   19   28    3 o   55.711   17.972   40.986   28.456   34.149   29.147  179.985  131.420   52.394   18.206  104.285   38.374 -51.89059 42.47372 
1 1 1   19   28    4 o   71.464   17.853   70.341   31.767   73.827   32.757   15.244  130.237   73.169   18.042   76.194   33.926 -3.025513 38.42452 
1 1 1   19   28    5 o   44.105   16.878   18.812   25.962   19.451   26.528   4.3138  126.374   44.661   17.068   74.360   33.241 -29.69836 37.36647 
1 1 1   19   28    6 o  108.661   18.266  159.779   47.807  159.063   51.210  164.635  133.363  107.741   19.762  103.370   38.538 4.370728 43.30951 
1 1 1   19   28    7 o  152.787   13.147  302.221   49.671  297.979   53.076  332.144  140.955  151.251   14.219  142.778   38.607 8.473373 41.14213 
1 1 1   19   28    8 o  202.597   18.022  543.847   90.226  632.023  108.353  344.432  162.947  216.924   20.236  142.354   42.554 74.57025 47.12071 
1 1 1   19   28    9 o   90.535   16.457  109.711   35.835  124.636   37.327 -65.8320  128.017   96.800   16.001   67.432   31.370 29.36739 35.21528 
1 1 1   19   28   10 o   93.989   16.034  117.567   36.282  126.648   37.711   4.4695  133.080   97.634   16.023   77.370   34.380 20.26356 37.93074 
1 1 1   19   28   11 o  142.084   25.108  282.381   85.827  282.381   85.827   0.0000   0.0000  142.084   25.108  ?   ?  0.000000 25.10788 
1 1 1   19   28   12 o  146.796   13.451  278.560   48.761  287.414   52.201  217.956  136.574  148.836   14.218  117.571   39.445 31.26486 41.92880 
1 1 1   19   28   13 o   71.194   17.712   68.752   31.362   77.202   32.525 -43.0500  118.310   75.483   17.582   67.740   31.024 7.742928 35.65958 
1 1 1   19   28   14 f  184.607   12.861  437.970   58.917  464.734   64.443  301.693  145.417  189.837   13.686  137.010   40.006 52.82689 42.28242 
1 1 1   19   28   15 o  117.471   14.405  180.012   41.370  185.055   43.843  139.052  124.949  118.880   15.110   99.769   37.281 19.11156 40.22705 
1 1 1   19   28   16 o  133.098   17.194  234.247   55.813  249.125   61.778  168.171  130.191  136.707   18.578  106.383   38.338 30.32466 42.60170 
1 1 1   19   28   17 o  175.543   12.532  395.763   54.576  381.413   58.983  481.169  143.899  171.781   13.868  180.181   33.205 -8.400101 35.98458 
1 1 1   19   28   18 o   97.488   15.231  125.485   35.866  106.384   37.314  357.361  130.011   88.884   17.434  153.310   34.760 -64.42583 38.88745 
1 1 1   19   28   19 o  186.387   13.052  447.353   60.364  449.220   65.843  437.518  151.149  186.231   14.267  167.845   37.053 18.38574 39.70463 
1 1 1   19   28   20 o  245.142   12.528  771.153   76.436  698.433   84.887  1082.81  175.731  232.074   14.724  279.452   25.461 -47.37833 29.41209 
1 1 1   19   28   21 o  208.878   14.721  566.826   76.296  566.826   76.296   0.0000   0.0000  208.878   14.721  ?   ?  0.000000 14.72122 
1 1 1   19   28   22 o   94.584   28.877  130.894   74.458  130.894   74.458   0.0000   0.0000   94.584   28.877  ?   ?  0.000000 28.87708 
1 1 1   19   28   23 o  122.260   13.969  195.351   41.884  196.757   44.322  183.614  128.044  122.376   14.805  107.696   38.104 14.68069 40.87850 
1 1 1   19   28   24 o   53.312   17.993   35.920   28.420   32.156   29.381   90.613  111.994   51.716   18.257   86.078   34.421 -34.36181 38.96334 
1 1 1   19   28   25 o  104.616   14.905  144.970   37.837  140.792   40.093  178.983  114.402  102.558   16.192  105.875   36.098 -3.317169 39.56356 
1 1 1   19   28   26 o  240.756   13.274  751.476   79.496  856.651   91.589  430.207  160.074  256.295   14.368  158.704   40.313 97.59169 42.79663 
1 1 1   19   28   27 o  140.740   17.137  265.609   58.986  276.868   67.968  231.254  118.726  142.249   19.659  117.798   36.549 24.45108 41.50093 
1 1 1   19   28   28 o   98.859   16.144  131.660   38.478  127.419   41.177  160.868  108.058   96.526   17.737  100.075   35.038 -3.548172 39.27142 
1 1 1   19   28   29 o   34.190   15.586 -15.6282   29.413 -11.7191   30.658 -60.8755  104.304   36.028   16.218   59.374   27.847 -23.34639 32.22567 
1 1 1   19   28   30 o  122.616   35.931  254.479  117.115   0.0000   0.0000  254.479  117.115  ?   ?   122.616   35.931 0.000000 35.93114 
1 1 1   19   28   31 o   97.750   34.392  156.405  104.175   0.0000   0.0000  156.405  104.175  ?   ?    97.750   34.392 0.000000 34.39206 
1 1 1   19   29    0 o   80.385   24.982   99.433   55.443   96.594   60.253  115.112  141.605   78.999   26.192   85.845   36.836 -6.845840 45.19850 
1 1 1   19   29    1 o   49.897   21.439   9.2807   48.084   31.632   51.440 -145.4474  135.344   57.126   23.156   58.301   28.449 -1.175598 36.68163 
1 1 1   19   29    2 o  234.040   24.598  802.309  141.609  802.309  141.609   0.0000   0.0000  234.040   24.598  ?   ?  0.000000 24.59785 
1 1 1   19   29    3 o   99.752   14.889  133.691   35.953  120.749   37.100  333.320  145.716   94.025   16.397  133.368   40.326 -39.34345 43.53225 
1 1 1   19   29    4 o  227.421   13.278  675.533   75.082  670.827   82.255  699.040  183.839  225.527   14.686  203.557   37.550 21.97060 40.31918 
1 1 1   19   29    5 o  118.903   14.139  186.858   41.159  180.927   42.983  252.347  142.829  116.523   15.129  117.849   40.334 -1.325554 43.07777 
1 1 1   19   29    6 o  141.049   13.778  260.870   47.911  268.481   50.756  198.629  145.140  142.783   14.433  107.275   40.162 35.50829 42.67698 
1 1 1   19   29    7 o  254.715   17.621  866.092  111.396  818.660  135.053  967.042  197.026  242.739   22.537  251.717   32.073 -8.978256 39.19964 
1 1 1   19   29    8 o   60.071   17.740   48.944   28.450   40.659   29.137  218.303  131.738   55.754   18.201  113.776   38.737 -58.02190 42.80021 
1 1 1   19   29    9 o  121.934   13.525  194.314   40.488  195.497   42.384  181.982  136.874  122.048   14.170  106.043   39.139 16.00520 41.62542 
1 1 1   19   29   10 o  135.470   13.040  238.443   43.570  237.114   45.866  250.734  139.452  134.767   13.824  121.741   39.823 13.02651 42.15382 
1 1 1   19   29   11 o   60.764   17.551   49.955   28.125   43.749   28.724  193.981  138.370   57.454   18.002  109.414   39.509 -51.96091 43.41745 
1 1 1   19   29   12 f  107.318   24.474  164.460   64.134  181.369   71.586   95.688  144.369  111.958   26.088   91.598   38.130 20.36037 46.20040 
1 1 1   19   29   13 f  101.838   14.837  137.004   36.624  148.617   38.237   7.9942  127.444  106.141   14.831   75.632   33.624 30.50847 36.75002 
1 1 1   19   29   14 o  145.386   13.249  274.106   47.573  288.909   50.817  169.128  135.324  149.055   13.809  104.744   38.866 44.31057 41.24610 
1 1 1   19   29   15 o  248.024   12.701  791.730   78.402  758.235   87.051  935.610  180.420  241.622   14.494  254.802   28.864 -13.17973 32.29910 
1 1 1   19   29   16 f   66.578   17.877   60.472   30.348   62.453   31.316   29.926  122.956   67.602   18.163   77.899   33.876 -10.29683 38.43803 
1 1 1   19   29   17 f   99.910   18.170  135.297   43.663  132.086   46.520  159.058  126.538   98.072   19.679  102.291   37.652 -4.218918 42.48509 
1 1 1   19   29   18 o  168.804   13.203  368.897   55.212  376.193   59.503  323.707  148.083  170.035   14.142  138.800   40.326 31.23506 42.73421 
1 1 1   19   29   19 o  172.417   13.374  385.314   57.134  398.042   61.744  309.508  150.682  174.821   14.268  134.665   41.072 40.15514 43.47974 
1 1 1   19   29   20 o   78.787   16.619   84.189   31.668   80.679   32.649  139.972  130.157   76.855   17.415   97.826   37.702 -20.97159 41.52918 
1 1 1   19   29   21 o  312.667   14.174  1267.42  110.672  1276.54  127.040  1238.72  225.401  311.498   16.389  287.473   31.938 24.02466 35.89804 
1 1 1   19   29   22 o   94.520   27.971  132.651   70.666  132.651   70.666   0.0000   0.0000   94.520   27.971  ?   ?  0.000000 27.97108 
1 1 1   19   29   23 o  101.462   14.897  136.722   36.621  132.728   38.133  184.129  131.369   99.553   15.872  105.973   38.461 -6.419640 41.60769 
1 1 1   19   29   24 o   76.051   17.277   79.416   32.065   80.567   33.161   62.842  125.787   76.473   17.713   81.991   34.937 -5.517952 39.17037 
1 1 1   19   29   25 o   63.137   18.288   54.762   30.496   65.886   31.598 -96.5082  116.521   68.982   18.112   59.478   28.348 9.504066 33.63989 
1 1 1   19   29   26 o   40.908   16.647   10.862   26.706   7.9910   27.520   57.197  110.568   40.268   16.696   77.854   32.947 -37.58584 36.93595 
1 1 1   19   29   27 o   37.558   16.303  -1.2697   28.376  -0.4108   29.424 -12.6921  107.301   38.487   16.654   66.058   29.980 -27.57132 34.29493 
1 1 1   19   29   28 o  133.737   14.157  236.049   46.561  247.826   50.622  171.348  118.651  136.573   15.095  101.129   36.575 35.44405 39.56812 
1 1 1   19   29   29 o  122.695   14.766  200.206   44.334  197.457   47.440  219.158  124.560  121.172   16.075  111.550   37.669 9.622490 40.95514 
1 1 1   19   29   30 o   72.380   31.682   32.543  109.092   0.0000   0.0000   32.543  109.092  ?   ?    72.380   31.682 0.000000 31.68226 
1 1 1   19   30    0 o  109.448   23.627  184.808   62.684  183.555   68.709  191.033  153.085  106.818   26.003   93.374   39.100 13.44389 46.95667 
1 1 1   19   30    1 o   63.339   23.766   54.910   50.879   54.461   54.476   57.979  142.368   63.713   24.432   76.321   34.596 -12.60731 42.35387 
1 1 1   19   30    2 o   58.710   23.043   40.607   49.317   46.559   52.617  -2.4346  141.490   61.290   23.873   70.496   32.857 -9.206890 40.61378 
1 1 1   19   30    3 o  171.413   23.553  434.151   98.152  434.151   98.152   0.0000   0.0000  171.413   23.553  ?   ?  0.000000 23.55252 
1 1 1   19   30    4 o  216.357   13.668  618.774   73.467  648.323   80.413  469.554  180.703  220.546   14.685  148.380   44.917 72.16685 47.25601 
1 1 1   19   30    5 o  173.140   13.437  395.210   57.641  398.715   61.836  371.971  159.223  173.221   14.426  136.176   42.338 37.04590 44.72843 
1 1 1   19   30    6 o  139.816   13.442  257.807   46.353  260.688   48.680  229.815  151.745  140.240   14.091  108.918   41.009 31.32149 43.36261 
1 1 1   19   30    7 o  113.935   14.819  173.449   41.165  174.655   42.999  160.200  142.482  113.991   15.508   97.269   38.850 16.72213 41.83094 
1 1 1   19   30    8 o   74.091   20.276   77.964   38.605   77.964   38.605   0.0000   0.0000   74.091   20.276  ?   ?  0.000000 20.27580 
1 1 1   19   30    9 o  117.255   14.116  181.861   40.503  189.903   42.301   93.232  140.424  119.697   14.444   87.282   37.044 32.41460 39.76053 
1 1 1   19   30   10 o   97.020   14.826  125.743   34.780  117.603   35.947  245.042  137.612   93.279   16.009  117.217   39.593 -23.93743 42.70691 
1 1 1   19   30   11 o  108.982   14.179  157.078   37.674  153.937   39.172  195.797  137.525  107.522   14.997  106.855   39.265 0.6676788 42.03175 
1 1 1   19   30   12 o   72.761   17.494   73.033   31.396   73.033   31.396   0.0000   0.0000   72.761   17.494  ?   ?  0.000000 17.49442 
1 1 1   19   30   13 o  132.386   22.021  245.672   70.243  289.983   80.208   99.835  145.510  143.207   23.224   90.288   37.980 52.91879 44.51783 
1 1 1   19   30   14 o  134.552   13.386  236.551   44.379  249.809   46.892  122.714  137.410  138.124   13.779   93.496   37.865 44.62852 40.29428 
1 1 1   19   30   15 o  365.404   15.092  1746.10  137.714  1701.55  159.708  1875.24  271.930  356.997   17.972  352.916   31.176 4.081055 35.98566 
1 1 1   19   30   16 o  175.884   12.671  400.958   55.281  382.001   59.150  531.834  155.417  170.982   13.975  182.792   35.326 -11.80997 37.99037 
1 1 1   19   30   17 o  202.584   13.110  532.693   65.965  542.050   72.271  485.979  161.477  203.632   14.303  170.460   38.805 33.17195 41.35743 
1 1 1   19   30   18 o  209.687   16.431  582.929   85.351  527.867   98.785  745.077  169.520  196.416   20.440  221.419   31.551 -25.00290 37.59337 
1 1 1   19   30   19 o   89.689   15.305  107.904   33.049  104.778   34.066  157.962  136.328   88.051   16.086   99.841   38.555 -11.79036 41.77594 
1 1 1   19   30   20 o  111.644   14.041  164.403   38.279  157.755   39.792  246.908  140.185  108.920   15.030  118.390   39.961 -9.470154 42.69452 
1 1 1   19   30   21 o  178.309   12.546  412.456   55.506  404.698   59.308  467.208  157.557  176.045   13.596  166.089   38.705 9.955414 41.02319 
1 1 1   19   30   22 o   52.784   17.225   36.431   26.097   34.262   26.612   90.829  133.276   51.733   17.412   86.777   36.418 -35.04387 40.36586 
1 1 1   19   30   23 o  179.722   23.470  458.517  102.819  458.517  102.819   0.0000   0.0000  179.722   23.470  ?   ?  0.000000 23.47025 
1 1 1   19   30   24 o  149.045   13.066  290.344   48.140  281.550   50.847  366.386  149.523  146.224   14.100  142.910   40.207 3.314896 42.60747 
1 1 1   19   30   25 o   89.858   16.133  109.728   34.870  110.461   36.189  100.213  130.326   89.903   16.735   87.122   36.244 2.781013 39.92119 
1 1 1   19   30   26 o   64.499   17.840   57.808   29.701   54.188   30.630  114.757  121.488   62.549   18.389   88.676   35.712 -26.12655 40.16830 
1 1 1   19   30   27 o   55.000   18.240   39.978   29.221   48.625   30.228 -83.3487  114.153   59.572   18.435   59.202   28.173 0.3703728 33.66816 
1 1 1   19   30   28 o  163.622   16.541  360.425   66.658  335.417   76.146  442.440  137.894  155.189   20.122  163.160   34.900 -7.970078 40.28528 
1 1 1   19   30   29 o   70.377   32.154  -3.4390  126.069   0.0000   0.0000  -3.4390  126.069  ?   ?    70.377   32.154 0.000000 32.15383 
1 1 1   19   30   30 o   82.734   33.628   96.514  108.816   0.0000   0.0000   96.514  108.816  ?   ?    82.734   33.628 0.000000 33.62814 
1 1 1   19   31    0 o   66.447   31.790 -15.4046  149.499   0.0000   0.0000 -15.4046  149.499  ?   ?    66.447   31.790 0.000000 31.79030 
1 1 1   19   31    1 o  116.264   23.812  211.888   66.810  259.719   73.970   0.0780  155.658  129.020   23.837   69.329   32.965 59.69056 40.67988 
1 1 1   19   31    2 o   40.978   18.766 -16.4530   43.284  -7.5809   45.447 -103.0613  141.995   43.838   19.738   60.056   29.268 -16.21837 35.30227 
1 1 1   19   31    3 o   82.837   24.670  108.971   54.841  106.431   58.851  125.731  151.166   81.234   25.808   84.296   37.086 -3.062576 45.18261 
1 1 1   19   31    4 o  193.569   23.475  561.967  111.152  561.967  111.152   0.0000   0.0000  193.569   23.475  ?   ?  0.000000 23.47496 
1 1 1   19   31    5 o   60.740   17.866   52.372   28.908   50.908   29.483   88.809  147.106   59.943   18.142   81.398   36.159 -21.45407 40.45530 
1 1 1   19   31    6 o   80.575   17.014   91.190   33.160   86.287   34.018  184.801  148.635   77.928   17.863   96.605   39.288 -18.67738 43.15828 
1 1 1   19   31    7 o   71.568   17.745   72.590   31.557   72.590   31.557   0.0000   0.0000   71.568   17.745  ?   ?  0.000000 17.74527 
1 1 1   19   31    8 o   79.635   16.629   88.178   32.001   82.688   32.839  191.686  142.582   76.673   17.532  100.130   39.215 -23.45749 42.95627 
1 1 1   19   31    9 o   58.058   19.245   45.791   32.530   48.842   33.542  -2.4646  133.407   59.638   19.532   71.129   32.711 -11.49088 38.09834 
1 1 1   19   31   10 o   41.117   16.049   15.589   23.821   10.977   24.195  161.424  136.043   39.282   15.896   96.171   38.104 -56.88961 41.28642 
1 1 1   19   31   11 o   74.165   16.702   76.260   30.188   75.439   30.952   92.260  136.709   73.592   17.159   84.976   36.320 -11.38390 40.16956 
1 1 1   19   31   12 o   38.087   15.501   9.4212   23.158   11.207   23.523 -46.6673  131.851   39.072   15.722   66.979   31.381 -27.90755 35.09881 
1 1 1   19   31   13 o   63.703   17.508   56.407   28.711   56.407   28.711   0.0000   0.0000   63.703   17.508  ?   ?  0.000000 17.50755 
1 1 1   19   31   14 o   76.754   25.003   85.788   54.994  123.852   59.750 -125.1844  140.667   90.887   25.362   62.343   30.085 28.54423 39.34913 
1 1 1   19   31   15 o  165.473   12.922  357.806   52.971  366.899   56.419  290.173  153.872  167.157   13.635  123.007   41.865 44.14985 44.02959 
1 1 1   19   31   16 o  107.206   14.457  153.077   37.717  146.826   39.137  234.573  141.311  104.504   15.464  112.897   40.020 -8.393120 42.90348 
1 1 1   19   31   17 o  201.851   12.828  530.990   64.327  545.690   69.759  447.469  166.276  203.988   13.775  155.592   41.873 48.39671 44.08025 
1 1 1   19   31   18 o   81.934   16.292   91.853   32.160   83.311   33.076  239.606  137.566   77.483   17.507  114.499   39.565 -37.01657 43.26501 
1 1 1   19   31   19 o  102.408   14.675  140.150   36.455  139.682   37.759  146.584  139.945  101.953   15.303   95.434   38.366 6.519196 41.30535 
1 1 1   19   31   20 o  240.242   12.547  750.467   75.014  694.629   81.810  1045.26  187.978  229.726   14.332  262.399   29.182 -32.67285 32.51164 
1 1 1   19   31   21 o   94.776   15.094  120.912   34.525  115.887   35.538  205.309  145.635   92.355   15.988  106.037   40.117 -13.68216 43.18568 
1 1 1   19   31   22 o   65.052   17.251   58.816   28.482   56.588   29.076  111.671  141.607   63.786   17.654   89.144   37.481 -25.35760 41.43092 
1 1 1   19   31   23 o   92.922   26.046  131.044   62.870  131.044   62.870   0.0000   0.0000   92.922   26.046  ?   ?  0.000000 26.04638 
1 1 1   19   31   24 o   82.420   16.135   93.116   32.019   94.035   32.839   75.404  144.179   82.690   16.482   83.588   36.510 -0.8987122 40.05770 
1 1 1   19   31   25 o  176.714   13.124  409.539   57.500  427.124   61.536  288.524  161.429  180.040   13.792  119.555   42.731 60.48514 44.90206 
1 1 1   19   31   26 o   50.025   17.559   31.323   27.145   30.775   27.745   43.604  131.286   49.922   17.729   77.114   34.213 -27.19209 38.53332 
1 1 1   19   31   27 o   54.884   17.998   40.369   28.478   35.253   29.222  137.000  126.994   52.450   18.229   91.490   36.630 -39.03993 40.91469 
1 1 1   19   31   28 o   69.401   31.707  -0.4711  122.579   0.0000   0.0000  -0.4711  122.579  ?   ?    69.401   31.707 0.000000 31.70710 
1 1 1   19   31   29 o   66.174   31.174 -47.4925  133.255   0.0000   0.0000 -47.4925  133.255  ?   ?    66.174   31.174 0.000000 31.17435 
1 1 1   19   32    0 o   59.334   23.026   51.203   48.810   56.912   51.198  -5.7387  161.702   61.389   23.649   65.894   31.909 -4.504536 39.71745 
1 1 1   19   32    1 o  109.286   43.960  389.100  183.842   0.0000   0.0000  389.100  183.842  ?   ?   109.286   43.960 0.000000 43.95966 
1 1 1   19   32    2 o   57.989   22.767   44.842   48.157   56.822   50.615 -69.5661  156.413   62.208   23.623   62.762   30.616 -0.5539474 38.67008 
1 1 1   19   32    3 o   65.099   23.567   64.383   49.276   62.470   52.010   81.158  153.989   64.581   24.069   75.900   34.993 -11.31950 42.47100 
1 1 1   19   32    4 o  104.316   23.542  170.895   59.871  171.896   64.811  165.072  156.340  102.807   25.394   86.913   37.989 15.89384 45.69481 
1 1 1   19   32    5 o   70.896   25.443   78.434   57.283   78.434   57.283   0.0000   0.0000   70.896   25.443  ?   ?  0.000000 25.44270 
1 1 1   19   32    6 o   55.890   18.293   43.864   29.425   43.864   29.425   0.0000   0.0000   55.890   18.293  ?   ?  0.000000 18.29291 
1 1 1   19   32    7 o   56.458   17.528   44.897   27.301   39.356   27.763  207.240  150.272   53.534   17.781   97.141   39.505 -43.60768 43.32198 
1 1 1   19   32    8 o   94.436   15.367  122.752   34.993  125.841   36.001   69.891  148.926   95.487   15.640   78.598   35.528 16.88873 38.81833 
1 1 1   19   32    9 o   35.349   14.920   4.4060   22.576  -0.4213   22.872  186.972  140.659   33.747   14.643   96.343   38.558 -62.59599 41.24474 
1 1 1   19   32   10 o   56.301   18.905   43.303   31.371   40.243   32.195  100.811  139.571   54.975   19.132   83.158   36.128 -28.18238 40.88068 
1 1 1   19   32   11 o   65.245   16.981   60.026   27.934   57.538   28.494  121.497  141.648   63.796   17.403   86.883   37.049 -23.08709 40.93262 
1 1 1   19   32   12 o   65.347   16.723   59.952   27.403   55.243   27.915  184.676  143.669   62.644   17.282   97.870   39.037 -35.22666 42.69128 
1 1 1   19   32   13 f  109.060   13.863  159.048   36.902  146.232   38.121  349.889  147.103  103.866   15.143  132.852   40.595 -28.98603 43.32702 
1 1 1   19   32   14 o  104.062   15.312  146.857   38.600  146.857   38.600   0.0000   0.0000  104.062   15.312  ?   ?  0.000000 15.31195 
1 1 1   19   32   15 o   72.864   17.099   74.376   30.577   77.307   31.282   11.582  144.805   74.269   17.205   74.357   34.153 -0.8826447E-01 38.24130 
1 1 1   19   32   16 o   45.638   16.570   24.556   24.388   27.393   24.782 -62.6075  137.360   47.225   16.757   65.694   31.157 -18.46870 35.37767 
1 1 1   19   32   17 o  103.733   14.038  143.931   35.431  142.217   36.539  170.935  145.016  102.813   14.645   97.062   39.043 5.751167 41.69911 
1 1 1   19   32   18 o  127.370   13.218  214.434   41.429  209.856   43.121  269.335  149.332  125.582   13.988  115.835   41.131 9.747314 43.44482 
1 1 1   19   32   19 f   78.328   19.005   87.318   36.795   82.723   38.131  149.444  140.211   75.886   19.883   93.448   38.099 -17.56167 42.97497 
1 1 1   19   32   20 o   39.572   15.694   13.122   23.099   10.697   23.409  102.931  142.476   38.674   15.641   86.091   36.945 -47.41739 40.11935 
1 1 1   19   32   21 o   58.900   17.233   48.152   26.959   48.022   27.424   51.884  146.983   58.830   17.429   79.622   35.703 -20.79243 39.72954 
1 1 1   19   32   22 o   54.653   17.108   40.684   25.948   42.696   26.368 -20.8764  145.846   55.811   17.209   71.346   33.288 -15.53473 37.47363 
1 1 1   19   32   23 o   37.674   15.274   9.8140   22.386   9.7103   22.655   14.104  145.739   37.786   15.350   74.905   34.352 -37.11834 37.62532 
1 1 1   19   32   24 o  105.910   24.864  169.815   64.633  169.815   64.633   0.0000   0.0000  105.910   24.864  ?   ?  0.000000 24.86372 
1 1 1   19   32   25 o   79.627   16.019   87.535   30.749   82.658   31.401  201.282  151.657   76.989   16.805  101.541   40.231 -24.55141 43.59955 
1 1 1   19   32   26 o   40.513   16.126   13.763   24.470   19.261   24.818 -178.2301  146.661   43.165   16.505   58.684   28.837 -15.51878 33.22684 
1 1 1   19   32   27 o  118.330   13.869  186.982   40.204  187.769   41.840  177.506  145.162  118.249   14.471   96.863   39.027 21.38571 41.62379 
1 1 1   19   32   28 o   59.176   28.594 -106.3575  128.110   0.0000   0.0000 -106.3575  128.110  ?   ?    59.176   28.594 0.000000 28.59433 
1 1 1   19   33    0 o   32.562   15.702 -42.6044   38.147 -34.2913   39.109 -205.4413  173.088   34.361   16.390   54.160   27.316 -19.79807 31.85567 
1 1 1   19   33    1 o  117.493   23.416  228.027   66.293  244.732   71.200  119.209  181.719  120.395   24.515   73.449   35.116 46.94538 42.82633 
1 1 1   19   33    2 o   74.419   35.046  112.127  168.128   0.0000   0.0000  112.127  168.128  ?   ?    74.419   35.046 0.000000 35.04578 
1 1 1   19   33    3 o   88.766   24.330  132.435   55.534  125.801   58.665  189.655  172.301   85.140   25.552   83.354   37.891 1.785645 45.70170 
1 1 1   19   33    4 o  131.676   22.575  271.540   71.560  303.962   78.574  113.858  173.278  138.138   23.627   77.369   36.161 60.76958 43.19522 
1 1 1   19   33    5 o   65.025   23.980   65.149   51.361   65.149   51.361   0.0000   0.0000   65.025   23.980  ?   ?  0.000000 23.98029 
1 1 1   19   33    6 o   90.769   25.331  136.772   59.601  136.772   59.601   0.0000   0.0000   90.769   25.331  ?   ?  0.000000 25.33095 
1 1 1   19   33    7 o   49.469   20.885   18.289   44.255   24.207   46.109 -50.9036  157.655   51.732   21.543   65.388   31.626 -13.65533 38.26614 
1 1 1   19   33    8 o   60.421   17.392   52.733   27.658   52.856   28.114   49.051  154.100   60.448   17.574   74.026   34.431 -13.57833 38.65670 
1 1 1   19   33    9 o  106.142   14.411  154.061   37.211  159.672   38.343   63.196  154.296  107.967   14.595   76.146   35.077 31.82121 37.99285 
1 1 1   19   33   10 o   53.934   17.375   40.560   26.602   44.557   27.051 -76.6646  146.507   56.139   17.451   63.211   30.552 -7.072727 35.18494 
1 1 1   19   33   11 o   40.372   16.651   10.927   27.171   5.9539   27.648  151.430  146.959   38.815   16.454   88.206   37.678 -49.39067 41.11386 
1 1 1   19   33   12 o   56.171   17.431   44.308   27.003   45.674   27.476   5.6164  146.268   56.932   17.569   71.003   33.198 -14.07080 37.55986 
1 1 1   19   33   13 o   93.779   15.035  120.621   34.021  114.855   34.876  233.928  154.597   90.983   15.931  102.394   40.603 -11.41127 43.61659 
1 1 1   19   33   14 o   39.988   15.778   14.502   23.238   17.375   23.539 -95.7214  145.792   41.463   16.018   62.847   30.401 -21.38330 34.36253 
1 1 1   19   33   15 o  100.825   25.165  158.592   63.159  158.592   63.159   0.0000   0.0000  100.825   25.165  ?   ?  0.000000 25.16463 
1 1 1   19   33   16 o   48.657   16.752   30.709   24.651   29.492   24.982   75.738  151.929   48.093   16.847   80.537   36.192 -32.44407 39.92108 
1 1 1   19   33   17 o   31.180   13.619  -1.9646   20.063  -1.3680   20.257 -32.5811  145.125   31.546   13.734   68.472   32.341 -36.92547 35.13639 
1 1 1   19   33   18 o   70.500   16.831   70.066   29.222   67.936   29.808  122.614  148.065   69.236   17.292   86.828   37.466 -17.59244 41.26368 
1 1 1   19   33   19 o   48.128   16.520   29.922   23.966   27.957   24.280  104.439  149.530   47.155   16.602   84.536   37.045 -37.38081 40.59550 
1 1 1   19   33   20 o  101.255   19.193  146.187   46.753  161.025   49.104   2.2593  152.936  106.386   19.189   73.276   34.155 33.11009 39.17639 
1 1 1   19   33   21 o   78.879   16.159   86.555   30.760   84.363   31.400  138.646  153.071   77.603   16.698   89.579   38.364 -11.97638 41.84050 
1 1 1   19   33   22 o   61.693   17.122   53.641   27.310   50.718   27.727  148.708  158.138   60.035   17.452   91.099   39.004 -31.06301 42.72985 
1 1 1   19   33   23 o   46.249   16.560   26.224   24.253   28.408   24.538 -66.0082  159.443   47.471   16.692   68.319   32.724 -20.84794 36.73552 
1 1 1   19   33   24 o   48.470   20.667   11.060   44.076   11.060   44.076   0.0000   0.0000   48.470   20.667  ?   ?  0.000000 20.66750 
1 1 1   19   33   25 o   70.582   16.720   70.189   29.017   65.384   29.461  225.915  167.707   67.882   17.322  101.737   41.594 -33.85464 45.05724 
1 1 1   19   33   26 o   43.411   16.230   21.155   23.688   16.630   23.944  229.135  162.335   41.359   16.106  102.252   41.246 -60.89313 44.27860 
1 1 1   19   33   27 o   78.160   35.909   51.123  160.228   0.0000   0.0000   51.123  160.228  ?   ?    78.160   35.909 0.000000 35.90899 
1 1 1   19   34    0 o  120.022   23.948  255.507   69.261  277.775   73.827   92.016  200.041  124.098   24.692   65.077   32.289 59.02036 40.64830 
1 1 1   19   34    1 o   84.977   24.330  131.875   54.258  106.837   56.568  419.802  191.829   74.571   25.384   92.686   41.227 -18.11449 48.41499 
1 1 1   19   34    2 o   55.601   22.110   46.133   45.961   44.710   47.615   65.562  175.917   55.337   22.332   66.723   32.531 -11.38571 39.45839 
1 1 1   19   34    3 o   64.233   31.537   2.9202  174.195   0.0000   0.0000   2.9202  174.195  ?   ?    64.233   31.537 0.000000 31.53665 
1 1 1   19   34    4 o   50.188   21.337   24.135   46.728   24.135   46.728   0.0000   0.0000   50.188   21.337  ?   ?  0.000000 21.33725 
1 1 1   19   34    5 o   41.840   18.634   0.3977   39.321  -7.6508   40.498  132.816  164.268   40.493   18.393   76.165   35.467 -35.67216 39.95250 
1 1 1   19   34    6 f   72.107   23.678   86.637   49.286   89.405   51.753   59.668  161.546   72.790   24.281   70.811   33.644 1.978218 41.49097 
1 1 1   19   34    7 o   56.183   22.349   41.228   46.973   41.228   46.973   0.0000   0.0000   56.183   22.349  ?   ?  0.000000 22.34880 
1 1 1   19   34    8 f   67.620   23.324   72.747   47.796   78.213   49.998   14.768  162.843   69.566   23.863   69.072   33.081 0.4941254 40.78963 
1 1 1   19   34    9 o   53.288   17.246   40.423   26.186   35.399   26.541  224.324  160.583   50.648   17.386   92.201   39.385 -41.55315 43.05173 
1 1 1   19   34   10 o   57.474   17.503   47.832   27.379   50.016   27.794 -23.7534  159.108   58.653   17.584   67.032   32.259 -8.378857 36.74002 
1 1 1   19   34   11 o   65.863   17.325   63.133   28.877   72.158   29.398 -184.6564  154.046   70.677   16.887   56.557   28.108 14.11980 32.79100 
1 1 1   19   34   12 o   67.425   20.086   68.166   36.351   66.133   37.325  105.618  160.201   66.362   20.477   80.042   36.444 -13.68011 41.80247 
1 1 1   19   34   13 o   92.244   15.048  117.923   33.468  116.841   34.242  141.057  158.339   91.523   15.538   84.744   37.586 6.779205 40.67122 
1 1 1   19   34   14 o   43.254   16.154   21.674   23.452   18.798   23.726  143.926  154.713   41.960   16.116   85.681   37.611 -43.72064 40.91858 
1 1 1   19   34   15 o   98.409   14.402  132.473   34.345  129.576   35.137  194.543  162.644   96.967   14.995   92.861   39.651 4.106415 42.39177 
1 1 1   19   34   16 o  133.504   22.485  267.788   72.298  267.788   72.298   0.0000   0.0000  133.504   22.485  ?   ?  0.000000 22.48498 
1 1 1   19   34   17 o   90.036   14.770  111.456   32.057  107.896   32.669  203.860  166.448   88.225   15.388   94.877   40.302 -6.651657 43.13997 
1 1 1   19   34   18 o   31.486   13.694  -0.8937   20.096   1.8426   20.276 -153.4029  151.371   32.675   13.977   59.313   29.176 -26.63836 32.35152 
1 1 1   19   34   19 o   46.625   16.392   27.750   23.663   20.968   23.927  329.485  159.597   43.238   16.283  118.192   42.462 -74.95412 45.47757 
1 1 1   19   34   20 o   19.571   9.6016 -30.7519   16.049 -30.2986   16.138 -71.6659  153.317   19.743   9.6742   65.379   31.514 -45.63525 32.96551 
1 1 1   19   34   21 o  176.223   17.919  434.967   77.757  433.335   85.441  442.834  187.605  173.563   20.084  131.933   46.168 41.62965 50.34789 
1 1 1   19   34   22 o   72.110   16.329   73.425   28.721   74.925   29.188   27.640  161.225   72.806   16.442   74.888   34.961 -2.081757 38.63411 
1 1 1   19   34   23 o   48.444   16.543   30.924   24.027   29.729   24.276   88.479  168.471   47.854   16.615   81.460   37.199 -33.60580 40.74100 
1 1 1   19   34   24 o   32.219   13.855   0.9756   20.112   0.9561   20.255   2.3443  169.361   32.315   13.901   73.344   34.731 -41.02883 37.40936 
1 1 1   19   34   25 o   89.053   23.359  122.883   52.592  122.883   52.592   0.0000   0.0000   89.053   23.359  ?   ?  0.000000 23.35912 
1 1 1   19   34   26 f   67.094   32.668 -88.8295  175.730   0.0000   0.0000 -88.8295  175.730  ?   ?    67.094   32.668 0.000000 32.66809 
1 1 1   19   34   27 o  104.210   42.317  276.672  172.113   0.0000   0.0000  276.672  172.113  ?   ?   104.210   42.317 0.000000 42.31708 
1 1 1   19   35    0 o   44.382   19.601   17.831   42.619   17.831   42.619   0.0000   0.0000   44.382   19.601  ?   ?  0.000000 19.60127 
1 1 1   19   35    1 o   37.880   17.653 -11.8242   40.818 -11.8242   40.818   0.0000   0.0000   37.880   17.653  ?   ?  0.000000 17.65284 
1 1 1   19   35    2 o   64.290   23.426   77.855   48.804   68.329   50.449  216.878  192.721   60.832   23.464   70.304   34.226 -9.471596 41.49718 
1 1 1   19   35    3 o   86.173   25.280  142.130   57.944  142.130   57.944   0.0000   0.0000   86.173   25.280  ?   ?  0.000000 25.28004 
1 1 1   19   35    4 o   60.516   23.128   62.669   48.711   64.100   50.632   44.865  178.567   60.933   23.506   64.097   31.560 -3.163879 39.35177 
1 1 1   19   35    5 o   56.214   22.342   47.921   46.905   42.872   48.705  112.458  174.126   54.878   22.424   69.688   33.589 -14.80919 40.38649 
1 1 1   19   35    6 o   60.802   22.601   60.237   45.804   62.818   47.459   25.162  174.967   61.700   22.992   65.320   31.974 -3.619568 39.38243 
1 1 1   19   35    7 o   70.172   23.588   84.645   48.840   91.967   50.844  -2.8036  175.713   72.624   24.060   64.761   31.771 7.862694 39.85314 
1 1 1   19   35    8 o   41.691   18.620  -0.2025   39.561  -0.2025   39.561   0.0000   0.0000   41.691   18.620  ?   ?  0.000000 18.62045 
1 1 1   19   35    9 o   67.672   23.067   75.307   46.712   80.635   48.546   8.7512  171.582   69.545   23.516   66.987   32.539 2.557228 40.14704 
1 1 1   19   35   10 o   46.517   16.712   28.745   24.723   32.388   24.992 -137.5027  168.822   48.462   16.857   58.981   29.331 -10.51896 33.83004 
1 1 1   19   35   11 o   75.721   16.477   83.332   30.271   83.773   30.769   70.001  169.029   75.781   16.709   72.948   34.588 2.833717 38.41204 
1 1 1   19   35   12 o   98.866   14.564  136.172   34.879  130.669   35.630  262.671  170.827   96.298   15.330   94.374   40.476 1.924263 43.28165 
1 1 1   19   35   13 o   50.153   18.562   32.883   30.828   34.930   31.403 -21.5384  161.880   51.177   18.769   66.555   32.156 -15.37783 37.23280 
1 1 1   19   35   14 o  112.481   13.635  172.891   37.516  167.211   38.397  292.337  176.080  110.140   14.298   99.723   41.855 10.41746 44.23001 
1 1 1   19   35   15 o   51.063   16.814   36.389   24.846   38.617   25.139 -57.3603  163.071   52.322   16.894   65.008   31.611 -12.68612 35.84191 
1 1 1   19   35   16 f  108.287   13.836  160.269   36.559  157.358   37.378  224.464  175.536  106.943   14.359   92.250   40.289 14.69389 42.77143 
1 1 1   19   35   17 o   48.827   20.265   20.445   40.606   20.445   40.606   0.0000   0.0000   48.827   20.265  ?   ?  0.000000 20.26508 
1 1 1   19   35   18 o  169.406   13.298  386.472   55.803  416.341   58.445   78.364  187.715  175.744   13.419   78.211   36.892 97.53296 39.25669 
1 1 1   19   35   19 f   41.780   15.685   19.967   22.166   16.005   22.354  252.480  171.244   39.911   15.556   97.813   41.177 -57.90199 44.01698 
1 1 1   19   35   20 o   41.551   15.695   19.407   22.269   20.251   22.473 -26.4835  165.769   42.057   15.792   68.576   32.983 -26.51816 36.56835 
1 1 1   19   35   21 o  127.730   13.256  220.074   41.665  217.272   42.830  269.487  179.869  126.539   13.777   99.438   42.049 27.10097 44.24815 
1 1 1   19   35   22 o   39.228   15.355   15.037   21.852   14.713   22.042   33.581  166.841   39.167   15.395   73.525   34.712 -34.35748 37.97242 
1 1 1   19   35   23 o   39.972   15.507   16.320   22.132   17.197   22.308 -38.4647  176.352   40.473   15.605   68.951   33.373 -28.47789 36.84171 
1 1 1   19   35   24 o   33.819   14.220   4.8762   20.386   3.7712   20.515   91.998  182.152   33.449   14.176   79.325   37.075 -45.87560 39.69260 
1 1 1   19   35   25 o  120.472   46.412  441.274  197.192   0.0000   0.0000  441.274  197.192  ?   ?   120.472   46.412 0.000000 46.41215 
1 1 1   19   35   26 o   77.706   37.048   69.858  199.370   0.0000   0.0000   69.858  199.370  ?   ?    77.706   37.048 0.000000 37.04807 
1 1 1   19   36    3 o   53.783   21.782   50.231   45.472   65.933   46.741 -227.3448  196.524   58.777   22.610   50.192   25.671 8.585793 34.20831 
1 1 1   19   36    4 o   40.611   18.313   3.8805   39.296   8.6419   40.140 -105.8404  192.688   42.009   18.760   54.442   27.612 -12.43301 33.38213 
1 1 1   19   36    5 o   46.059   19.814   21.812   41.157   21.942   42.180   19.210  188.069   46.345   19.997   60.101   30.055 -13.75624 36.09937 
1 1 1   19   36    6 o   57.318   28.794 -69.7217  182.306   0.0000   0.0000 -69.7217  182.306  ?   ?    57.318   28.794 0.000000 28.79367 
1 1 1   19   36    7 o   50.648   20.689   34.490   41.444   28.035   42.530  155.991  184.524   48.906   20.551   70.247   34.034 -21.34144 39.75736 
1 1 1   19   36    8 o   35.613   16.617 -18.1274   36.346 -13.1872   37.135 -130.5935  177.185   37.000   17.102   56.277   28.287 -19.27763 33.05468 
1 1 1   19   36    9 o   84.354   23.861  125.515   52.513  124.165   54.635  141.884  190.289   82.929   24.607   72.041   34.820 10.88729 42.63736 
1 1 1   19   36   10 o   41.430   18.372   3.2087   37.815   9.2437   38.659 -130.4758  181.951   43.332   18.916   58.189   29.166 -14.85754 34.76353 
1 1 1   19   36   11 o   50.222   17.112   36.476   25.707   38.039   25.963 -41.3683  183.244   51.067   17.198   63.118   31.244 -12.05096 35.66445 
1 1 1   19   36   12 o   36.461   15.033   9.9952   22.137   8.2670   22.304  123.934  181.101   35.838   14.959   74.176   35.350 -38.33815 38.38427 
1 1 1   19   36   13 o  104.000   14.422  151.949   36.447  159.072   37.191 -20.5707  183.033  106.494   14.351   65.541   32.209 40.95215 35.26123 
1 1 1   19   36   14 o   55.116   19.463   44.528   33.393   51.764   33.989 -156.1277  178.992   58.443   19.677   58.861   29.417 -0.4175720 35.39181 
1 1 1   19   36   15 o   63.827   16.675   60.113   26.870   58.758   27.184  117.820  177.387   62.982   16.923   75.998   35.853 -13.01559 39.64575 
1 1 1   19   36   16 o   64.084   16.589   60.355   26.754   61.125   27.069   27.848  175.960   64.445   16.688   69.615   33.608 -5.169609 37.52302 
1 1 1   19   36   17 o   58.274   16.719   49.770   25.599   51.783   25.877 -42.4390  175.130   59.399   16.732   65.378   32.000 -5.978645 36.10983 
1 1 1   19   36   18 o   95.090   23.122  146.028   54.375  146.028   54.375   0.0000   0.0000   95.090   23.122  ?   ?  0.000000 23.12222 
1 1 1   19   36   19 o   31.873   13.740   1.4362   19.878  -0.4635   20.002  153.487  178.949   31.236   13.622   81.011   37.480 -49.77496 39.87833 
1 1 1   19   36   20 o   37.780   15.030   13.218   21.245   11.547   21.398  128.826  177.978   37.091   14.970   78.975   36.823 -41.88370 39.74940 
1 1 1   19   36   21 o   49.817   16.421   34.762   23.696   34.504   23.901   49.613  181.158   49.691   16.498   72.762   34.860 -23.07138 38.56664 
1 1 1   19   36   22 o   55.524   18.744   44.648   30.842   36.667   31.279  324.117  185.098   51.826   18.774  100.289   42.546 -48.46333 46.50373 
1 1 1   19   36   23 o   48.600   16.284   32.699   23.277   29.885   23.462  208.730  185.584   47.069   16.335   86.555   39.338 -39.48613 42.59472 
1 1 1   19   36   24 o   81.957   38.377  165.547  196.725   0.0000   0.0000  165.547  196.725  ?   ?    81.957   38.377 0.000000 38.37674 
1 1 1   19   36   25 o   69.948   34.240  -7.8666  200.650   0.0000   0.0000  -7.8666  200.650  ?   ?    69.948   34.240 0.000000 34.23967 
1 1 1   19   37    7 o   70.265   34.560  298.909  212.192   0.0000   0.0000  298.909  212.192  ?   ?    70.265   34.560 0.000000 34.56001 
1 1 1   19   37    8 f   41.258   18.293   8.3891   37.476   11.162   38.191 -63.6567  194.665   42.205   18.602   56.571   28.585 -14.36670 34.10444 
1 1 1   19   37    9 o   62.509   22.411   70.552   44.436   75.177   45.685 -10.6353  191.401   64.061   22.750   59.437   29.809 4.624290 37.49817 
1 1 1   19   37   10 o   48.804   20.006   31.120   38.924   36.392   39.753 -91.3509  191.604   50.671   20.421   57.275   28.868 -6.604172 35.36081 
1 1 1   19   37   11 o   91.652   24.033  151.358   55.683  151.358   55.683   0.0000   0.0000   91.652   24.033  ?   ?  0.000000 24.03344 
1 1 1   19   37   12 o   41.982   15.998   22.197   23.265   24.499   23.438 -132.3640  192.039   43.159   16.143   57.279   28.874 -14.11912 33.08051 
1 1 1   19   37   13 o   76.479   16.191   87.304   29.958   84.957   30.333  180.639  191.273   75.088   16.617   73.843   35.494 1.244270 39.19133 
1 1 1   19   37   14 o   59.233   16.916   53.386   26.264   52.792   26.515   84.324  191.386   58.842   17.055   68.645   33.568 -9.803074 37.65164 
1 1 1   19   37   15 o   53.280   19.282   42.220   32.985   44.056   33.504 -15.6738  188.136   54.117   19.454   63.781   31.587 -9.663685 37.09741 
1 1 1   19   37   16 o   62.288   16.926   58.616   27.014   61.252   27.295 -67.6836  188.933   63.707   16.885   61.833   30.795 1.873756 35.12011 
1 1 1   19   37   17 o   62.716   16.716   59.027   26.654   62.642   26.923 -119.1139  188.997   64.706   16.585   59.951   30.002 4.754410 34.28098 
1 1 1   19   37   18 o   42.461   15.856   22.565   22.596   22.499   22.757   27.180  190.225   42.476   15.903   67.535   33.117 -25.05982 36.73746 
1 1 1   19   37   19 o   58.227   21.302   52.022   40.415   52.022   40.415   0.0000   0.0000   58.227   21.302  ?   ?  0.000000 21.30243 
1 1 1   19   37   20 o  143.759   13.221  284.644   46.929  288.336   48.200  217.365  205.758  144.384   13.526   80.644   38.215 63.73951 40.53800 
1 1 1   19   37   21 o   45.535   16.053   28.176   22.708   30.272   22.866 -122.3834  193.797   46.717   16.131   61.089   30.543 -14.37188 34.54080 
1 1 1   19   37   22 o   23.312   11.014 -16.6375   16.851 -17.3142   16.914   73.896  195.627   23.188   10.979   71.299   34.659 -48.11066 36.35630 
1 1 1   19   37   23 o   69.594   34.040   44.449  197.178   0.0000   0.0000   44.449  197.178  ?   ?    69.594   34.040 0.000000 34.04013 
1 1 1   19   37   24 o   69.332   34.029   37.918  202.308   0.0000   0.0000   37.918  202.308  ?   ?    69.332   34.029 0.000000 34.02935 
1 1 1   19   38   13 o   41.799   15.932   23.061   23.076   24.331   23.222 -77.2527  206.367   42.452   16.029   57.224   28.974 -14.77221 33.11281 
1 1 1   19   38   14 o   29.181   13.126  -4.2916   20.037  -2.3172   20.137 -202.1532  201.585   29.909   13.327   53.803   27.383 -23.89417 30.45399 
1 1 1   19   38   15 o   40.667   15.676   20.569   22.505   18.063   22.641  227.745  205.868   39.527   15.581   72.044   35.139 -32.51607 38.43895 
1 1 1   19   38   16 o   46.689   18.115   29.588   30.205   29.691   30.559   25.212  199.158   46.799   18.203   62.745   31.308 -15.94569 36.21496 
1 1 1   19   38   17 f  100.074   14.126  143.689   34.320  141.113   34.792  236.812  209.205   98.801   14.536   74.125   35.989 24.67512 38.81330 
1 1 1   19   38   18 o   47.783   16.201   33.438   23.041   33.388   23.190   37.369  203.766   47.761   16.253   64.446   32.077 -16.68497 35.95985 
1 1 1   19   38   19 o   56.335   16.491   48.353   24.682   50.436   24.859 -96.0735  206.999   57.520   16.468   59.652   30.059 -2.131691 34.27440 
1 1 1   20  -21    0 o   90.253   39.252  141.522  165.108  141.522  165.108   0.0000   0.0000   90.253   39.252  ?   ?  0.000000 39.25198 
1 1 1   20  -20    0 o  102.463   25.705  160.288   65.661   37.327  162.449  184.299   71.786   80.126   36.566  109.435   26.541 -29.30811 45.18301 
1 1 1   20  -20    1 o  109.620   25.488  183.554   68.449 -20.1144  164.321  226.314   75.292   74.047   34.800  122.080   25.519 -48.03314 43.15437 
1 1 1   20  -20    2 o   73.608   25.530   80.726   57.303   45.857  157.443   86.050   61.523   78.791   35.972   75.521   26.438 3.269257 44.64297 
1 1 1   20  -19    0 o   37.183   17.689 -48.3428   44.941   76.036  141.415 -62.3154   47.398   84.259   36.485   36.479   17.568 47.78070 40.49468 
1 1 1   20  -19    1 o   77.492   25.461   88.288   56.984   64.287  150.732   92.290   61.552   83.014   36.753   78.954   26.480 4.059753 45.29864 
1 1 1   20  -19    2 o   34.361   16.671 -66.0578   44.690 -192.6993  143.421 -52.4395   47.031   57.654   28.368   37.509   17.914 20.14493 33.55077 
1 1 1   20  -19    3 o   74.104   25.883   80.502   58.950   76.910  154.707   81.113   63.760   83.347   37.051   74.568   26.834 8.779030 45.74734 
1 1 1   20  -19    4 o   61.294   24.277   43.076   55.209   59.100  154.605   40.734   59.106   80.251   36.244   61.538   24.865 18.71304 43.95360 
1 1 1   20  -19    5 o   85.310   37.827  107.117  160.267  107.117  160.267   0.0000   0.0000   85.310   37.827  ?   ?  0.000000 37.82692 
1 1 1   20  -18    0 f  114.654   23.103  187.286   63.862  146.831  148.483  196.468   70.738   98.355   39.526  116.268   25.099 -17.91354 46.82193 
1 1 1   20  -18    1 o   53.654   22.329   18.034   49.489   26.490  143.359   16.889   52.730   79.015   35.357   54.566   22.904 24.44888 42.12704 
1 1 1   20  -18    2 o   96.757   24.933  138.820   60.621   87.725  144.650  149.706   66.767   86.719   37.220   99.682   26.403 -12.96285 45.63400 
1 1 1   20  -18    3 o   57.005   23.271   27.897   52.398 -226.1869  146.197   65.346   56.127   56.794   28.076   69.477   25.151 -12.68258 37.69426 
1 1 1   20  -18    4 o   70.501   25.003   69.596   55.163  224.877  150.405   45.462   59.295  107.982   40.789   63.590   25.168 44.39251 47.92891 
1 1 1   20  -18    5 o  126.224   24.009  235.733   72.911   44.434  158.373  287.183   82.133   80.138   36.390  139.143   24.534 -59.00491 43.88800 
1 1 1   20  -18    6 o   49.945   22.005   0.8520   53.395  106.286  151.716 -14.0538   57.045   86.058   37.524   48.388   21.920 37.66957 43.45729 
1 1 1   20  -18    7 o   77.272   26.286   92.118   60.658  107.985  157.897   89.371   65.699   85.388   37.719   76.359   27.264 9.029343 46.54095 
1 1 1   20  -17    0 o   59.919   19.314   47.318   32.870   59.039   55.846   41.105   40.658   68.867   25.064   58.892   21.394 9.975044 32.95308 
1 1 1   20  -17    1 o  129.298   13.602  218.219   43.260  156.415   69.531  257.250   55.256  103.185   26.759  139.300   16.186 -36.11547 31.27383 
1 1 1   20  -17    2 o   71.355   18.884   70.618   34.174  108.911   57.650   49.871   42.434   86.567   25.165   62.429   21.951 24.13747 33.39318 
1 1 1   20  -17    3 o  176.602   20.115  427.722   87.127  309.107  167.185  471.948  102.085  127.858   43.638  183.366   22.785 -55.50829 49.22860 
1 1 1   20  -17    4 o   52.938   22.190   16.059   49.384 -95.1462  135.105   33.208   53.055   63.981   30.502   59.028   23.661 4.952953 38.60334 
1 1 1   20  -17    5 o  107.864   24.899  172.704   65.707   21.428  151.737  207.617   72.896   78.448   35.621  118.152   25.458 -39.70471 43.78305 
1 1 1   20  -17    6 o   58.572   23.485   34.186   52.287 -46.4265  140.579   47.129   56.328   68.588   32.220   63.446   24.704 5.142220 40.60033 
1 1 1   20  -17    7 o   69.566   25.669   66.519   58.865 -50.8377  151.401   87.419   63.892   69.630   32.932   76.731   26.938 -7.101326 42.54605 
1 1 1   20  -17    8 o  101.378   25.891  159.283   65.779  404.558  161.283  110.344   72.043  140.544   42.410   83.510   28.644 57.03411 51.17702 
1 1 1   20  -17    9 o   74.572   26.108   84.313   59.996  140.546  154.629   74.348   65.096   89.518   38.454   71.677   26.885 17.84161 46.92022 
1 1 1   20  -16    0 o   42.493   17.552   8.6033   30.255   4.5817   52.025   10.658   37.191   52.183   22.358   46.890   19.422 5.292995 29.61559 
1 1 1   20  -16    1 o  126.984   13.432  209.268   41.946  191.927   67.849  219.997   53.366  116.945   24.037  128.820   17.005 -11.87413 29.44362 
1 1 1   20  -16    2 o   57.844   19.341   42.905   32.833   3.1245   54.454   65.630   41.156   52.580   22.704   69.411   21.516 -16.83097 31.27985 
1 1 1   20  -16    3 o  113.359   14.340  168.894   39.687  168.738   64.907  168.988   50.155  108.547   24.524  111.550   18.664 -3.003052 30.81837 
1 1 1   20  -16    4 f   59.558   19.309   47.074   32.816   47.400   55.390   46.897   40.734   64.550   24.664   60.934   21.499 3.615978 32.71862 
1 1 1   20  -16    5 o  110.108   23.592  174.358   62.917  168.183  142.410  175.856   70.133  101.614   39.359  109.076   26.098 -7.461250 47.22525 
1 1 1   20  -16    6 o   47.251   20.835  -4.3298   47.968   44.411  133.806 -11.5175   51.383   79.336   34.898   47.247   21.153 32.08927 40.80852 
1 1 1   20  -16    7 o  152.130   21.305  325.524   78.716  258.643  159.078  347.210   90.583  115.455   42.259  154.765   24.233 -39.30968 48.71464 
1 1 1   20  -16    8 o  105.914   25.623  169.631   67.034   71.555  150.932  193.731   74.818   83.509   36.884  112.338   27.004 -28.82864 45.71272 
1 1 1   20  -16    9 o  124.880   23.876  230.452   71.742  170.786  158.542  245.816   80.450   96.916   40.118  127.082   26.221 -30.16569 47.92712 
1 1 1   20  -16   10 o   65.613   25.838   53.147   62.200   0.0000   0.0000   53.147   62.200  ?   ?    65.613   25.838 0.000000 25.83802 
1 1 1   20  -16   11 o   77.724   35.570   47.316  155.126   47.316  155.126   0.0000   0.0000   77.724   35.570  ?   ?  0.000000 35.56979 
1 1 1   20  -15    0 o  228.252   11.715  663.518   66.548  687.748  102.357  645.777   87.586  229.381   18.014  223.389   15.803 5.992294 23.96330 
1 1 1   20  -15    1 o  126.157   13.314  205.587   41.311  208.706   66.230  203.601   52.854  123.642   22.269  124.058   17.551 -0.4161987 28.35397 
1 1 1   20  -15    2 o   52.493   18.902   31.519   31.642   43.687   53.491   24.969   39.244   63.905   24.280   52.737   20.596 11.16799 31.83907 
1 1 1   20  -15    3 o  116.011   14.167  175.635   40.188  241.201   65.648  136.338   50.824  133.499   20.335   99.446   21.118 34.05391 29.31681 
1 1 1   20  -15    4 o   46.715   18.332   18.815   31.210 -61.3241   51.769   64.572   39.118   39.429   18.821   68.844   20.911 -29.41534 28.13356 
1 1 1   20  -15    5 o   48.033   18.429   22.556   31.005 -40.9066   51.955   57.659   38.640   42.527   19.851   65.448   20.925 -22.92058 28.84295 
1 1 1   20  -15    6 o   79.625   18.055   87.268   35.074   81.762   57.990   90.443   44.043   76.557   25.703   80.036   21.555 -3.478722 33.54480 
1 1 1   20  -15    7 o   81.639   20.509   94.044   41.757   67.265  138.789   96.709   43.786   84.231   36.309   82.576   21.143 1.654396 42.01639 
1 1 1   20  -15    8 o   60.474   23.678   39.058   51.967   76.813  137.510   32.768   56.130   84.508   36.281   59.828   24.211 24.68080 43.61782 
1 1 1   20  -15    9 o   95.448   25.888  137.582   63.265   77.663  154.290  149.693   69.365   85.578   37.563   98.779   27.239 -13.20130 46.40000 
1 1 1   20  -15   10 o   51.031   22.131   5.8956   52.190 -33.1544  141.954   11.999   56.120   70.059   32.739   53.948   23.170 16.11014 40.10872 
1 1 1   20  -15   11 o  100.731   25.867  156.073   65.404   39.955  150.737  183.004   72.593   78.471   35.582  108.474   26.925 -30.00332 44.62130 
1 1 1   20  -15   12 o   83.673   26.696  109.810   62.916  105.949  156.874  110.550   68.681   85.837   37.772   83.486   27.972 2.351852 47.00166 
1 1 1   20  -15   13 o   91.713   26.566  134.858   64.352   85.519  158.775  144.556   70.393   81.875   36.877   93.901   27.947 -12.02578 46.26987 
1 1 1   20  -14    0 f  112.615   14.422  164.356   39.626  141.223   62.926  179.557   51.009  101.074   25.056  116.641   18.099 -15.56745 30.90939 
1 1 1   20  -14    1 f  164.223   16.596  350.607   67.124  349.800   92.024  351.524   98.125  160.914   23.603  160.429   25.334 0.4848938 34.62512 
1 1 1   20  -14    2 o  218.574   16.027  618.394   86.871  565.852  120.592  675.073  125.249  204.593   24.063  224.599   22.640 -20.00592 33.03975 
1 1 1   20  -14    3 o  170.158   12.041  370.206   50.834  303.478   79.235  416.886   66.271  149.984   21.793  179.525   14.918 -29.54153 26.40975 
1 1 1   20  -14    4 o   80.298   17.628   87.074   34.378  109.999   56.525   73.616   43.310   88.594   24.649   73.538   21.929 15.05588 32.99167 
1 1 1   20  -14    5 o  207.161   11.935  549.426   61.479  428.007   94.306  639.166   81.076  177.719   21.701  222.106   14.701 -44.38672 26.21131 
1 1 1   20  -14    6 o  123.421   13.434  198.096   40.736  204.736   66.345  194.078   51.609  121.310   22.736  120.448   17.685 0.8614197 28.80444 
1 1 1   20  -14    7 f   53.900   18.811   35.679   31.136   7.7875   51.725   51.528   38.991   52.384   22.364   62.761   21.076 -10.37693 30.73025 
1 1 1   20  -14    8 o   95.215   15.947  121.695   36.576   98.656   61.256  134.459   45.596   82.699   26.336   98.788   19.174 -16.08913 32.57713 
1 1 1   20  -14    9 o  144.967   16.379  280.659   58.253   0.0000   0.0000  280.659   58.253  ?   ?   144.967   16.379 0.000000 16.37885 
1 1 1   20  -14   10 o   85.198   36.716   79.238  141.835   79.238  141.835   0.0000   0.0000   85.198   36.716  ?   ?  0.000000 36.71594 
1 1 1   20  -14   11 o   48.170   21.167  -1.5319   49.113   29.653  135.057  -6.2841   52.722   76.488   34.265   48.685   21.636 27.80310 40.52467 
1 1 1   20  -14   12 o   61.069   23.868   42.478   52.733  272.025  144.756   7.3547   56.623  118.086   40.598   53.001   23.019 65.08496 46.66945 
1 1 1   20  -14   13 o   66.398   25.270   57.566   58.002   11.810  150.024   65.607   62.892   74.964   34.553   69.549   26.351 5.414948 43.45473 
1 1 1   20  -14   14 o   53.944   23.021   16.976   54.771 -139.6142  149.929   41.092   58.837   61.240   29.896   61.298   24.794 -0.5817032E-01 38.83958 
1 1 1   20  -14   15 o   77.074   26.526   93.609   61.806   7.4197  161.079  108.490   66.929   73.481   34.509   81.762   27.612 -8.281075 44.19611 
1 1 1   20  -13    0 o  126.403   13.361  204.947   41.534  182.091   65.901  220.008   53.496  115.949   23.563  130.034   16.872 -14.08491 28.98130 
1 1 1   20  -13    1 o  164.987   12.108  346.561   49.538  296.586   76.915  381.987   64.758  149.565   21.186  172.329   15.204 -22.76402 26.07698 
1 1 1   20  -13    2 o  131.607   13.106  222.223   42.500  192.537   67.322  241.893   54.801  118.976   23.493  136.367   16.423 -17.39104 28.66421 
1 1 1   20  -13    3 o  134.967   12.946  233.746   43.096  224.265   67.836  240.162   55.804  129.091   21.821  135.594   16.843 -6.503357 27.56558 
1 1 1   20  -13    4 f   76.771   22.215   79.995   45.020   93.218   61.517   64.747   66.063   82.928   26.391   74.125   27.218 8.803192 37.91137 
1 1 1   20  -13    5 o  159.954   16.261  333.616   64.049  303.255   89.452  365.556   91.749  148.268   25.052  164.214   23.005 -15.94586 34.01262 
1 1 1   20  -13    6 o   96.135   15.624  122.154   36.220  107.423   59.078  131.027   45.848   87.523   25.483   98.336   19.360 -10.81221 32.00321 
1 1 1   20  -13    7 o   50.367   18.565   27.678   30.776   23.088   51.562   30.217   38.359   56.811   23.126   54.213   20.570 2.598591 30.95080 
1 1 1   20  -13    8 o   80.118   17.930   87.561   34.978   93.605   58.010   84.108   43.844   81.567   25.587   77.706   21.741 3.861519 33.57631 
1 1 1   20  -13    9 o  131.762   13.212  225.913   42.887  176.449   69.059  256.966   54.717  110.427   25.551  139.342   16.016 -28.91544 30.15547 
1 1 1   20  -13   10 f   39.320   16.900   0.9099   29.896   64.200   51.740 -30.8105   36.629   69.417   24.248   35.611   16.638 33.80568 29.40749 
1 1 1   20  -13   11 o   63.201   19.120   54.934   32.751   0.6623   53.469   87.521   41.432   50.906   22.234   78.560   20.794 -27.65435 30.44271 
1 1 1   20  -13   12 o  132.330   22.133  248.786   70.556  237.319  148.760  252.114   80.143  112.861   40.933  130.767   25.458 -17.90608 48.20434 
1 1 1   20  -13   13 o   55.763   23.007   24.479   51.896  131.833  138.684   6.9988   55.962   91.781   37.709   52.848   22.918 38.93301 44.12683 
1 1 1   20  -13   14 o   94.738   26.124  138.260   63.804  226.333  151.769  119.353   70.320  107.084   40.848   87.205   28.265 19.87891 49.67327 
1 1 1   20  -13   15 o   87.746   26.256  120.331   62.012  329.142  158.724   82.717   67.366  124.385   42.519   74.861   27.485 49.52465 50.62923 
1 1 1   20  -13   16 o   62.215   24.803   45.991   57.970  -1.4053  158.899   53.268   62.262   73.156   34.330   65.059   25.777 8.097710 42.93067 
1 1 1   20  -13   17 o  145.290   23.727  320.780   83.114  423.494  186.823  295.435   92.804  127.618   45.932  133.959   28.612 -6.341248 54.11440 
1 1 1   20  -12    0 o  193.266   11.836  473.360   56.848  475.885   85.979  471.398   75.775  191.899   18.158  191.715   15.973 0.1842957 24.18365 
1 1 1   20  -12    1 o  207.819   11.544  546.998   59.673  558.277   90.247  538.235   79.544  208.065   17.533  204.931   15.662 3.134277 23.50962 
1 1 1   20  -12    2 o  182.577   11.637  422.957   52.779  462.842   81.939  394.674   69.000  189.170   17.545  175.108   15.955 14.06242 23.71457 
1 1 1   20  -12    3 o  197.421   11.550  494.547   56.691  446.318   86.759  530.482   74.890  184.964   19.056  203.454   14.843 -18.49057 24.15481 
1 1 1   20  -12    4 o  198.479   11.463  500.194   56.572  544.468   87.575  468.488   74.110  205.002   17.268  190.673   15.704 14.32875 23.34084 
1 1 1   20  -12    5 o  120.669   13.369  187.583   39.607  151.746   63.127  210.849   50.864  104.827   24.547  127.083   16.411 -22.25636 29.52789 
1 1 1   20  -12    6 o  111.983   18.721  167.074   50.504  180.590   70.613  152.920   72.261  113.883   25.468  104.083   27.420 9.800980 37.42278 
1 1 1   20  -12    7 o  120.961   17.902  194.011   52.441  139.577   73.797  249.537   74.534   98.972   28.385  135.234   22.887 -36.26237 36.46314 
1 1 1   20  -12    8 o   74.285   21.620   75.452   42.530   0.0000   0.0000   75.452   42.530  ?   ?    74.285   21.620 0.000000 21.61970 
1 1 1   20  -12    9 o  218.276   18.177  630.072   98.177  630.072   98.177   0.0000   0.0000  218.276   18.177  ?   ?  0.000000 18.17684 
1 1 1   20  -12   10 o  112.319   13.964  165.172   38.320  121.953   62.523  191.174   48.496   91.893   26.051  119.854   16.653 -27.96169 30.91900 
1 1 1   20  -12   11 o  129.610   13.016  218.610   41.559  139.634   66.892  268.260   53.038   97.406   26.704  142.745   15.109 -45.33932 30.68143 
1 1 1   20  -12   12 o   61.424   19.082   51.214   32.350   27.501   54.441   64.158   40.222   58.183   23.733   68.099   21.297 -9.916111 31.88747 
1 1 1   20  -12   13 o  103.027   15.091  141.941   37.675  109.384   60.339  162.743   48.232   85.848   25.948  108.816   18.406 -22.96798 31.81310 
1 1 1   20  -12   14 o   66.340   24.979   55.522   56.301   48.044  144.458   56.861   61.135   80.551   35.805   67.655   25.897 12.89606 44.18920 
1 1 1   20  -12   15 o   72.450   25.555   74.686   57.550 -103.4648  142.122  109.626   62.941   63.788   30.644   84.740   26.664 -20.95277 40.62040 
1 1 1   20  -12   16 o   95.013   26.726  141.083   66.073  113.182  155.363  147.243   73.004   87.892   38.150   95.905   28.441 -8.013062 47.58535 
1 1 1   20  -12   17 o   94.697   27.017  143.116   67.027  275.979  159.743  114.727   73.841  112.024   42.096   84.245   28.994 27.77914 51.11492 
1 1 1   20  -12   18 o   61.283   24.831   42.967   59.122  161.295  163.214   25.096   63.429   90.590   39.212   57.927   24.749 32.66301 46.36903 
1 1 1   20  -12   19 o   71.470   26.775   79.135   64.525 -45.3863  165.317  101.515   70.084   68.057   32.785   78.189   28.134 -10.13170 43.20116 
1 1 1   20  -11    0 o  147.588   12.394  276.849   45.255  281.241   70.054  273.703   59.285  146.883   19.587  145.737   16.586 1.146072 25.66589 
1 1 1   20  -11    1 o  143.368   12.328  261.420   43.706  233.816   67.428  281.422   57.396  133.211   20.962  147.961   15.777 -14.75043 26.23634 
1 1 1   20  -11    2 f  174.298   11.715  385.107   50.694  383.410   77.811  386.359   66.821  172.048   18.396  173.591   15.581 -1.542953 24.10750 
1 1 1   20  -11    3 o  183.467   11.635  426.693   53.031  499.793   82.526  375.274   69.214  197.041   16.937  170.708   16.440 26.33333 23.60305 
1 1 1   20  -11    4 o  263.807   11.756  879.731   77.446  911.250  115.688  854.135  104.252  265.985   17.515  258.029   16.263 7.956451 23.90113 
1 1 1   20  -11    5 o   87.503   16.562  101.135   34.865   92.430   57.179  106.287   43.988   82.977   25.299   88.853   20.273 -5.876198 32.41982 
1 1 1   20  -11    6 o  270.528   11.878  927.295   80.245  902.283  119.899  947.589  107.999  263.652   18.325  271.433   16.004 -7.781036 24.32967 
1 1 1   20  -11    7 o  122.264   13.404  192.592   40.253  190.697   65.052  193.767   51.240  118.408   22.828  121.396   17.400 -2.987732 28.70344 
1 1 1   20  -11    8 o   70.947   19.158   67.953   34.737   95.689   56.554   51.149   44.020   83.501   25.094   64.469   22.375 19.03212 33.62096 
1 1 1   20  -11    9 o  135.796   16.618  242.058   55.178  205.784   77.222  279.896   78.870  120.825   26.337  143.312   22.802 -22.48749 34.83679 
1 1 1   20  -11   10 o   72.259   21.387   71.216   41.312   31.687   58.259  111.196   58.590   61.694   24.771   88.778   25.236 -27.08400 35.36165 
1 1 1   20  -11   11 o  112.082   13.687  163.912   37.513  170.039   61.230  160.231   47.464  110.249   22.985  109.136   18.046 1.113480 29.22300 
1 1 1   20  -11   12 o  206.976   11.898  550.551   61.236  467.252   94.142  611.643   80.622  185.374   20.690  216.407   15.012 -31.03342 25.56189 
1 1 1   20  -11   13 o   57.626   19.069   43.440   31.941   89.811   53.983   18.461   39.620   79.323   24.651   50.044   20.310 29.27906 31.93967 
1 1 1   20  -11   14 o  303.951   12.847  1195.81   97.510  1182.00  145.056  1207.19  131.707  294.584   19.834  300.324   17.639 -5.740601 26.54308 
1 1 1   20  -11   15 o   66.224   19.052   61.237   33.199  108.335   54.415   33.310   41.901   85.741   24.302   55.544   21.396 30.19713 32.37829 
1 1 1   20  -11   16 o  184.729   20.120  474.292   91.312  421.033  171.883  495.233  107.779  145.922   43.725  185.144   23.867 -39.22203 49.81460 
1 1 1   20  -11   17 o   89.057   26.368  122.369   62.786   30.133  151.102  141.617   69.027   77.791   35.409   95.021   27.511 -17.23019 44.84035 
1 1 1   20  -11   18 o  100.807   26.292  158.897   66.873   18.266  149.759  193.923   74.739   75.030   34.561  110.925   27.192 -35.89493 43.97592 
1 1 1   20  -11   19 o   77.720   26.544   94.654   61.856  192.583  151.409   75.035   67.770   96.557   39.504   71.756   27.314 24.80067 48.02734 
1 1 1   20  -11   20 o   59.785   24.402   40.190   57.600   50.588  175.382   38.933   60.983   77.524   36.280   60.191   24.896 17.33361 44.00046 
1 1 1   20  -11   21 o   78.695   28.065  105.846   69.597   0.0000   0.0000  105.846   69.597  ?   ?    78.695   28.065 0.000000 28.06511 
1 1 1   20  -10    0 o  144.227   17.686  268.737   62.364  330.144  124.674  248.244   72.022  154.540   33.289  137.378   21.716 17.16174 39.74594 
1 1 1   20  -10    1 o   90.722   22.026  110.219   49.399  182.305  114.215   93.632   54.789  115.292   35.861   83.988   24.566 31.30396 43.46793 
1 1 1   20  -10    2 o  184.394   17.463  437.292   79.452  378.464  141.700  464.269   95.955  164.259   35.575  188.973   20.671 -24.71465 41.14437 
1 1 1   20  -10    3 o  355.891   13.170  1601.83  117.049  1593.29  169.832  1609.57  161.544  351.841   19.405  354.210   18.326 -2.368317 26.69053 
1 1 1   20  -10    4 o  126.225   13.148  203.721   40.834  198.629   64.633  207.103   52.680  122.156   21.997  126.267   17.151 -4.110649 27.89300 
1 1 1   20  -10    5 o  215.604   11.435  588.360   61.347  587.292   93.001  589.182   81.624  213.454   17.605  214.608   15.332 -1.153839 23.34481 
1 1 1   20  -10    6 o  109.196   14.277  154.036   37.999  128.526   61.052  170.168   48.549   96.949   25.042  113.930   17.634 -16.98172 30.62747 
1 1 1   20  -10    7 o  261.758   16.182  880.562  105.256   0.0000   0.0000  880.562  105.256  ?   ?   261.758   16.182 0.000000 16.18190 
1 1 1   20  -10    8 o  113.877   22.925  176.262   62.935  176.262   62.935   0.0000   0.0000  113.877   22.925  ?   ?  0.000000 22.92473 
1 1 1   20  -10    9 o   94.703   15.434  117.814   35.244  151.035   57.464   97.783   44.621  105.108   22.568   84.696   21.159 20.41148 30.93521 
1 1 1   20  -10   10 o   75.590   17.880   77.090   33.222   92.202   54.585   68.199   41.871   81.969   24.658   71.278   21.631 10.69106 32.80125 
1 1 1   20  -10   11 o  262.569   16.258  896.371  106.079  710.612  149.125  1086.65  150.928  226.011   26.954  285.210   21.346 -59.19897 34.38260 
1 1 1   20  -10   12 o  197.787   15.415  509.567   75.535  476.864  107.406  541.568  106.248  186.266   23.622  200.073   21.609 -13.80707 32.01479 
1 1 1   20  -10   13 o  137.034   12.345  242.546   41.791  223.543   68.011  254.073   52.971  126.959   22.264  138.971   15.529 -12.01245 27.14458 
1 1 1   20  -10   14 o  143.495   12.369  266.523   43.889  273.767   70.843  262.011   55.912  141.180   20.710  140.511   16.234 0.6683197 26.31402 
1 1 1   20  -10   15 o   62.227   19.427   52.643   33.485   9.0819   53.407   80.857   42.982   53.009   22.680   75.594   21.658 -22.58498 31.36008 
1 1 1   20  -10   16 o  156.183   12.351  317.093   47.780  317.484   75.513  316.832   61.701  151.273   20.520  153.919   16.301 -2.646973 26.20628 
1 1 1   20  -10   17 o  166.217   12.160  359.389   50.121  364.335   77.182  355.781   65.910  162.524   19.401  162.732   16.445 -0.2079468 25.43242 
1 1 1   20  -10   18 o  229.715   19.920  733.111  113.136  614.612  196.392  791.968  138.411  176.864   44.503  233.546   24.078 -56.68230 50.59925 
1 1 1   20  -10   19 o   95.926   25.398  141.554   61.799  128.005  147.868  144.421   68.024   89.290   37.959   95.672   27.190 -6.381752 46.69263 
1 1 1   20  -10   20 o   69.496   25.026   70.135   55.466  236.730  153.797   45.227   59.468  104.865   40.823   62.428   25.040 42.43734 47.89081 
1 1 1   20  -10   21 o   50.622   22.180   6.9920   53.585   19.592  167.903   5.5632   56.541   74.699   35.130   51.345   22.632 23.35403 41.78880 
1 1 1   20  -10   22 o   48.230   21.705  -4.1524   54.872 -31.6908  182.410  -1.4125   57.537   70.374   34.033   49.717   22.312 20.65736 40.69506 
1 1 1   20   -9    0 o  164.356   11.511  341.618   46.945  367.680   71.678  322.042   62.124  169.266   17.197  158.631   15.897 10.63470 23.41841 
1 1 1   20   -9    1 o  166.075   11.484  348.824   47.334  344.297   71.675  352.325   63.035  163.527   17.841  166.082   15.373 -2.554184 23.55108 
1 1 1   20   -9    2 o  315.000   12.262  1250.96   96.452  1254.06  140.621  1248.20  132.545  313.148   18.059  312.820   17.032 0.3271484 24.82356 
1 1 1   20   -9    3 o  295.263   17.756  1115.34  130.313  1210.68  203.524  1049.10  169.648  302.910   27.196  283.427   24.201 19.48352 36.40496 
1 1 1   20   -9    4 o  206.523   16.368  545.782   83.721  749.489  149.513  452.732  101.049  238.434   25.507  186.045   22.188 52.38876 33.80667 
1 1 1   20   -9    5 o  182.456   16.850  427.789   75.906  623.817  144.141  352.566   89.290  216.191   27.308  163.659   22.439 52.53191 35.34470 
1 1 1   20   -9    6 o  182.012   12.803  420.986   57.820  347.914  100.229  457.432   70.785  161.046   25.793  189.130   15.114 -28.08427 29.89497 
1 1 1   20   -9    7 o  211.770   13.457  570.763   70.794  587.711   92.424  546.703  110.122  213.535   17.486  204.073   21.955 9.461472 28.06707 
1 1 1   20   -9    8 o  150.972   12.142  290.255   45.390  245.177   70.253  322.556   59.468  135.833   21.421  158.353   15.226 -22.52014 26.28121 
1 1 1   20   -9    9 f  171.091   11.725  372.244   49.792  334.147   76.294  400.509   65.716  159.475   19.568  176.486   15.055 -17.01132 24.68967 
1 1 1   20   -9   10 o  167.081   11.669  355.483   48.381  349.199   75.356  359.889   63.105  163.084   18.851  166.964   15.306 -3.880096 24.28211 
1 1 1   20   -9   11 o  122.396   12.991  192.927   39.099  170.005   62.066  208.008   50.344  111.324   23.084  126.061   16.380 -14.73740 28.30463 
1 1 1   20   -9   12 o  291.613   12.162  1083.20   88.564  1127.47  132.325  1047.28  119.198  293.495   18.144  283.695   16.902 9.800018 24.79668 
1 1 1   20   -9   13 o  256.992   14.344  852.759   91.687  817.663  118.005  906.220  145.645  248.452   19.168  258.642   22.783 -10.18947 29.77340 
1 1 1   20   -9   14 o  164.308   15.337  353.141   62.202  321.041   88.844  384.003   87.114  151.628   24.283  168.060   21.231 -16.43219 32.25580 
1 1 1   20   -9   15 o  132.320   12.574  226.921   41.050  253.021   66.003  210.457   52.421  136.221   19.998  125.434   17.188 10.78682 26.36946 
1 1 1   20   -9   16 o  318.067   13.093  1307.87  103.994  1268.60  153.346  1341.31  141.507  305.625   20.206  316.974   17.951 -11.34894 27.02853 
1 1 1   20   -9   17 o   93.344   15.651  117.346   35.190  159.641   58.137   92.891   44.208  105.517   22.735   80.675   21.539 24.84161 31.31796 
1 1 1   20   -9   18 o  158.671   12.085  327.166   47.525  284.867   73.079  358.165   62.560  142.439   21.191  164.079   15.450 -21.63893 26.22520 
1 1 1   20   -9   19 o  114.015   13.546  172.124   37.812  235.879   58.718  126.953   49.424  130.764   18.498   93.728   21.565 37.03552 28.41137 
1 1 1   20   -9   20 o  166.906   20.206  392.036   82.504  439.044  168.178  377.137   94.680  147.527   43.008  159.642   24.535 -12.11497 49.51436 
1 1 1   20   -9   21 o   52.097   22.343   13.161   52.054 -139.1711  149.039   34.325   55.552   61.138   29.837   58.676   23.958 2.461315 38.26577 
1 1 1   20   -9   22 o   55.231   23.187   24.996   54.059   62.815  163.346   20.345   57.288   78.867   36.242   55.050   23.520 23.81704 43.20515 
1 1 1   20   -9   23 o   78.895   26.825  102.734   63.171  128.969  187.812   99.388   67.079   84.138   38.737   77.519   27.563 6.619606 47.54247 
1 1 1   20   -8    0 o  297.297   11.764  1112.32   87.337  1182.19  127.282  1050.16  120.061  304.813   16.786  287.230   16.812 17.58337 23.75769 
1 1 1   20   -8    1 o  222.702   11.554  625.732   64.032  617.301   94.758  632.817   86.867  219.758   17.410  222.996   15.700 -3.238342 23.44295 
1 1 1   20   -8    2 o  536.757   17.244  3661.62  231.141  3743.91  329.616  3582.01  324.217  537.934   24.537  526.068   24.680 11.86676 34.80206 
1 1 1   20   -8    3 o  198.387   11.376  496.948   56.123  470.984   84.046  517.841   75.395  191.579   17.770  201.694   15.078 -10.11520 23.30536 
1 1 1   20   -8    4 o  360.028   12.947  1635.91  116.403  1743.89  168.870  1538.16  160.672  369.758   18.289  346.664   18.628 23.09448 26.10553 
1 1 1   20   -8    5 f  314.940   12.472  1251.42   98.086  1217.27  143.609  1281.29  134.288  308.076   18.756  316.827   17.036 -8.751221 25.33812 
1 1 1   20   -8    6 o  219.232   17.105  616.030   92.902  688.408  162.182  580.681  113.341  226.446   29.372  211.110   21.814 15.33635 36.58670 
1 1 1   20   -8    7 o  539.484   40.624  4100.72  543.270  4100.72  543.270   0.0000   0.0000  539.484   40.624  ?   ?  0.000000 40.62424 
1 1 1   20   -8    8 o  482.078   22.992  3026.04  276.787  3383.52  404.609  2711.59  379.471  498.641   32.674  444.146   34.484 54.49481 47.50549 
1 1 1   20   -8    9 o   94.025   15.606  115.551   35.359  109.214   57.854  119.330   44.673   89.676   24.933   94.561   19.563 -4.885101 31.69175 
1 1 1   20   -8   10 o   91.761   15.770  110.475   34.833  142.872   56.464   90.570   44.258  102.628   22.640   81.878   21.405 20.75026 31.15691 
1 1 1   20   -8   11 o  237.962   11.434  716.874   67.947  758.122  102.766  684.836   90.570  242.118   17.107  230.645   15.821 11.47375 23.30112 
1 1 1   20   -8   12 o  238.959   11.542  724.151   68.874  749.212  104.364  704.816   91.671  240.081   17.529  233.690   15.802 6.390823 23.59983 
1 1 1   20   -8   13 o  242.470   11.504  746.787   69.653  743.307  105.834  749.446   92.513  238.450   17.904  240.804   15.466 -2.353973 23.65959 
1 1 1   20   -8   14 o  268.392   11.936  918.132   79.999  982.571  119.888  866.411  107.409  273.891   17.622  257.694   16.783 16.19672 24.33513 
1 1 1   20   -8   15 o  240.608   11.742  739.122   70.554  796.566  106.971  694.891   93.866  245.951   17.531  230.382   16.423 15.56898 24.02239 
1 1 1   20   -8   16 o  146.955   15.843  284.702   57.222  205.719   81.311  362.199   80.542  118.248   27.974  163.436   20.162 -45.18789 34.48236 
1 1 1   20   -8   17 f   94.433   15.326  119.109   34.901  188.957   56.437   75.856   44.412  117.140   20.012   73.589   22.266 43.55083 29.93724 
1 1 1   20   -8   18 o  238.887   11.682  733.844   69.688  813.212  105.942  673.310   92.521  246.751   17.303  225.036   16.581 21.71449 23.96489 
1 1 1   20   -8   19 o  151.309   11.921  297.106   44.678  268.771   69.275  317.285   58.461  138.856   20.603  154.521   15.354 -15.66412 25.69521 
1 1 1   20   -8   20 o   86.403   16.408  102.295   34.108  118.074   51.837   90.247   45.295   89.700   23.025   78.843   22.111 10.85741 31.92241 
1 1 1   20   -8   21 o  107.968   14.419  156.200   37.905  191.708   56.473  127.086   51.136  116.317   20.174   93.028   22.302 23.28931 30.07216 
1 1 1   20   -8   22 o   50.771   21.817   10.787   49.805 -94.8601  144.672   24.991   53.047   63.685   30.676   55.555   23.119 8.129654 38.41207 
1 1 1   20   -8   23 o  133.429   23.326  267.376   74.893  211.024  174.614  280.079   82.905   97.428   41.327  134.314   25.653 -36.88538 48.64190 
1 1 1   20   -8   24 o   37.640   18.120 -57.9314   50.310 -252.1972  176.112 -40.6690   52.498   58.081   29.050   41.101   19.425 16.98010 34.94616 
1 1 1   20   -7    0 o  235.245   10.989  695.529   64.553  750.387   95.336  649.085   87.721  243.007   15.796  225.979   15.641 17.02766 22.22970 
1 1 1   20   -7    1 o  289.892   11.847  1057.48   85.764  1083.15  124.964  1034.63  117.920  291.647   17.235  285.210   16.629 6.436615 23.94910 
1 1 1   20   -7    2 o  101.675   14.312  133.047   35.333  119.951   54.895  142.310   46.168   94.732   23.354  104.304   18.398 -9.572250 29.73000 
1 1 1   20   -7    3 o  239.965   11.313  724.340   67.794  712.861   99.618  734.243   92.524  236.382   16.989  240.344   15.499 -3.961273 22.99665 
1 1 1   20   -7    4 o  137.042   12.245  238.432   41.464  265.453   63.974  218.858   54.449  143.288   18.297  130.185   17.167 13.10236 25.08965 
1 1 1   20   -7    5 o  294.289   13.644  1093.88  100.268  946.453  171.944  1169.84  123.426  268.660   25.952  303.158   16.364 -34.49728 30.68073 
1 1 1   20   -7    6 f  232.049   13.592  682.629   78.416  652.099  100.299  730.633  125.769  225.513   17.959  237.506   21.436 -11.99294 27.96524 
1 1 1   20   -7    7 o  348.526   12.821  1533.70  111.587  1542.75  162.051  1525.54  153.880  346.886   18.777  345.350   17.905 1.536194 25.94545 
1 1 1   20   -7    8 o  433.723   14.800  2386.11  160.292  2412.75  230.368  2361.10  223.177  432.511   21.329  428.146   20.874 4.364868 29.84392 
1 1 1   20   -7    9 o  244.556   16.987  766.918  103.095  890.776  170.525  695.566  129.427  258.836   26.769  230.429   22.791 28.40665 35.15716 
1 1 1   20   -7   10 o  178.755   17.466  412.802   76.967  434.370  140.851  403.620   91.902  176.280   33.215  175.275   21.444 1.004471 39.53601 
1 1 1   20   -7   11 o   76.253   20.101   78.013   38.819   86.192   54.297   69.462   55.520   80.452   24.676   74.311   25.148 6.140755 35.23294 
1 1 1   20   -7   12 o  146.166   12.099  272.516   43.765  314.574   69.637  245.059   56.266  155.117   18.332  137.204   16.771 17.91234 24.84634 
1 1 1   20   -7   13 o  323.579   12.767  1331.53  103.160  1286.69  151.196  1370.58  141.106  313.862   19.386  325.328   17.432 -11.46664 26.07088 
1 1 1   20   -7   14 o  307.698   12.280  1204.71   94.356  1250.03  140.093  1167.10  127.652  309.512   18.206  299.784   17.123 9.727081 24.99265 
1 1 1   20   -7   15 o  166.687   11.530  355.027   47.699  364.118   75.595  349.013   61.485  165.892   18.566  163.901   15.195 1.991333 23.99165 
1 1 1   20   -7   16 o  285.061   12.280  1038.88   87.415  1077.41  129.886  1006.98  118.188  285.765   18.297  277.128   17.163 8.637543 25.08689 
1 1 1   20   -7   17 o  178.795   11.550  410.143   51.295  387.711   79.670  426.025   67.038  169.952   19.103  180.607   15.000 -10.65427 24.28842 
1 1 1   20   -7   18 o  182.852   15.122  438.695   68.430  465.618   96.622  411.600   96.929  184.119   21.415  171.687   23.203 12.43201 31.57458 
1 1 1   20   -7   19 f  112.432   13.324  165.830   36.680   98.965   57.193  212.549   47.807   82.535   25.328  126.484   15.457 -43.94910 29.67189 
1 1 1   20   -7   20 o  281.024   12.393  1021.20   86.971  1156.30  130.448  913.096  116.690  293.184   17.903  260.266   18.066 32.91827 25.43444 
1 1 1   20   -7   21 o   92.757   15.488  116.360   34.610  144.752   52.506   94.546   46.023  100.465   21.573   80.731   22.157 19.73384 30.92465 
1 1 1   20   -7   22 o  124.125   13.248  203.557   40.429  192.906   60.347  212.231   54.455  115.788   21.667  123.955   18.128 -8.167397 28.25075 
1 1 1   20   -7   23 o   56.284   18.544   43.179   30.219   30.476   41.762   57.140   43.780   53.748   21.170   64.068   22.310 -10.31979 30.75506 
1 1 1   20   -7   24 o   70.906   25.304   74.849   56.587  127.469  162.436   67.581   60.369   86.955   38.342   68.825   25.875 18.13077 46.25649 
1 1 1   20   -7   25 o   70.747   26.083   76.627   60.757  227.609  182.120   57.719   64.449   96.226   41.536   65.576   26.149 30.65029 49.08166 
1 1 1   20   -6    0 o  139.339   11.722  245.853   40.408  251.600   61.152  241.399   53.837  139.693   17.945  137.235   16.010 2.458054 24.04908 
1 1 1   20   -6    1 o   81.147   16.078   86.181   31.429   64.119   48.525  102.124   41.251   71.791   23.491   87.916   19.317 -16.12537 30.41348 
1 1 1   20   -6    2 o  382.485   13.671  1845.17  130.575  1900.64  187.530  1792.97  181.921  385.716   19.533  374.612   19.514 11.10370 27.61072 
1 1 1   20   -6    3 o  211.604   11.408  564.707   60.059  508.194   88.811  612.330   81.527  199.182   18.051  219.605   14.956 -20.42332 23.44192 
1 1 1   20   -6    4 o  281.254   11.762  995.447   82.612  990.502  120.658  999.810  113.346  278.746   17.421  280.429   16.255 -1.682343 23.82737 
1 1 1   20   -6    5 o  198.758   13.715  500.958   67.658  480.222  141.403  507.115   77.050  188.800   31.073  199.539   15.587 -10.73917 34.76350 
1 1 1   20   -6    6 f  327.000   12.652  1348.02  103.314  1392.33  149.322  1307.33  143.092  330.182   18.180  319.994   17.980 10.18771 25.56934 
1 1 1   20   -6    7 f  445.218   14.979  2509.90  166.531  2540.17  238.658  2481.18  232.484  444.626   21.495  439.615   21.177 5.011200 30.17442 
1 1 1   20   -6    8 o  454.741   15.258  2621.71  173.270  2605.26  248.553  2637.26  241.674  449.559   22.140  452.796   21.374 -3.237030 30.77369 
1 1 1   20   -6    9 o  248.219   11.336  776.227   70.265  819.325  105.012  741.289   94.549  253.179   16.704  241.070   15.793 12.10907 22.98773 
1 1 1   20   -6   10 o  160.435   11.576  326.250   46.067  330.882   72.024  323.042   59.929  159.801   18.384  158.761   15.306 1.040009 23.92141 
1 1 1   20   -6   11 o  129.681   12.739  214.716   40.722  153.725   65.826  252.530   51.831  106.243   25.193  140.167   15.043 -33.92419 29.34269 
1 1 1   20   -6   12 o  174.048   17.610  392.362   75.487  416.118  138.057  382.231   90.157  171.941   33.357  170.208   21.705 1.732178 39.79726 
1 1 1   20   -6   13 o  337.425   18.982  1476.60  159.297  1616.50  243.798  1372.38  210.429  345.220   28.536  319.607   26.607 25.61316 39.01617 
1 1 1   20   -6   14 o  138.859   11.819  246.144   40.592  259.719   63.524  236.776   52.772  140.506   18.559  134.963   15.967 5.542709 24.48267 
1 1 1   20   -6   15 o  221.036   11.320  621.201   62.272  644.672   95.111  603.591   82.386  222.587   17.246  216.248   15.356 6.338196 23.09182 
1 1 1   20   -6   16 o  321.811   12.813  1322.41  102.966  1343.14  151.389  1304.56  140.456  319.577   19.057  315.897   17.878 3.679657 26.13037 
1 1 1   20   -6   17 o   95.722   14.111  120.202   32.720  122.455   54.001  118.896   41.129   93.463   23.237   93.797   18.216 -0.3339539 29.52562 
1 1 1   20   -6   18 o   51.994   17.597   33.767   27.182   42.340   45.037   28.854   34.092   60.620   22.436   51.954   19.462 8.666069 29.70068 
1 1 1   20   -6   19 o   97.118   14.441  124.789   33.956  140.645   54.566  114.770   43.377   99.742   22.450   91.048   19.654 8.694382 29.83748 
1 1 1   20   -6   20 o  251.672   16.058  836.570  100.393  791.845  140.067  883.820  143.967  237.098   23.987  251.487   23.185 -14.38901 33.36072 
1 1 1   20   -6   21 o   97.969   14.722  128.080   34.903  109.748   53.138  141.989   46.288   86.743   23.809  101.251   19.005 -14.50806 30.46383 
1 1 1   20   -6   22 o  154.437   12.026  310.078   46.012  316.797   70.198  305.018   60.925  151.861   18.921  150.622   16.466 1.238220 25.08268 
1 1 1   20   -6   23 o   97.406   14.978  127.976   35.266   85.532   51.426  165.654   48.453   76.209   24.116  109.170   18.429 -32.96085 30.35182 
1 1 1   20   -6   24 o  108.951   14.092  159.099   37.443  161.593   53.425  156.691   52.491  105.713   20.978  104.094   20.919 1.619125 29.62600 
1 1 1   20   -6   25 o  185.342   15.679  466.510   71.889  424.217  186.070  473.931   77.941  131.999   45.991  185.518   17.013 -53.51930 49.03712 
1 1 1   20   -6   26 o   63.147   25.357   50.317   61.053   0.0000   0.0000   50.317   61.053  ?   ?    63.147   25.357 0.000000 25.35668 
1 1 1   20   -5    0 o  406.847   13.866  2086.83  140.876  2129.22  202.080  2046.74  196.494  408.922   19.789  400.988   19.623 7.933380 27.86903 
1 1 1   20   -5    1 o  178.323   10.814  400.865   47.928  380.087   71.019  418.242   64.948  172.473   16.698  181.496   14.450 -9.022812 22.08250 
1 1 1   20   -5    2 o  115.960   12.750  171.303   36.311  173.796   55.046  169.383   48.313  115.268   19.839  114.317   17.479 0.9511795 26.44081 
1 1 1   20   -5    3 o  128.834   12.244  210.731   38.919  226.514   59.163  198.692   51.674  132.307   18.405  124.068   17.136 8.238678 25.14731 
1 1 1   20   -5    4 o  374.918   15.174  1777.03  142.069  1641.88  244.486  1845.93  174.567  354.276   27.860  381.032   18.346 -26.75626 33.35810 
1 1 1   20   -5    5 o  128.480   19.186  214.632   59.670  214.632   59.670   0.0000   0.0000  128.480   19.186  ?   ?  0.000000 19.18600 
1 1 1   20   -5    6 o  631.583   20.076  5095.27  316.635  5133.10  449.825  5058.11  445.783  626.558   28.750  622.013   28.699 4.544678 40.62260 
1 1 1   20   -5    7 o  260.113   11.577  851.462   75.197  841.825  109.964  859.928  103.061  256.866   17.243  260.023   15.949 -3.157410 23.48830 
1 1 1   20   -5    8 o  273.154   11.624  939.343   79.286  927.299  115.985  949.909  108.631  269.523   17.325  273.241   15.990 -3.718109 23.57606 
1 1 1   20   -5    9 o  165.630   11.625  347.163   47.777  336.418   73.085  355.182   63.136  161.402   18.465  166.730   15.336 -5.328049 24.00318 
1 1 1   20   -5   10 o   86.293   16.215   97.585   33.659  148.664   54.538   66.160   42.778  105.709   21.395   71.440   21.901 34.26928 30.61698 
1 1 1   20   -5   11 o  282.071   11.716  1003.42   82.523  967.951  121.657  1033.65  112.313  274.712   17.831  284.694   15.861 -9.982300 23.86416 
1 1 1   20   -5   12 o  195.606   11.200  484.024   54.479  470.668   83.343  493.989   71.988  191.045   17.670  196.684   14.765 -5.639557 23.02626 
1 1 1   20   -5   13 o  261.558   11.609  864.277   75.826  894.757  112.955  839.274  102.302  263.764   17.244  255.907   16.090 7.856827 23.58510 
1 1 1   20   -5   14 o  275.590   17.163  978.833  117.530  1184.98  190.061  851.192  149.553  297.679   25.824  253.212   23.935 44.46645 35.21038 
1 1 1   20   -5   15 o  113.658   20.394  172.961   55.756  174.747  118.789  172.457   63.144  110.650   36.781  112.473   23.250 -1.822845 43.51358 
1 1 1   20   -5   16 o  253.485   11.446  814.998   72.452  887.422  109.493  758.586   96.634  261.655   16.847  242.249   16.065 19.40523 23.27896 
1 1 1   20   -5   17 o   96.628   13.754  121.761   32.251  133.598   52.894  114.757   40.690   98.507   22.052   92.351   18.291 6.156853 28.65030 
1 1 1   20   -5   18 o   83.662   15.032   92.877   30.251  101.624   49.479   87.655   38.228   85.358   22.786   80.024   19.344 5.333984 29.88964 
1 1 1   20   -5   19 o   90.767   14.327  108.770   31.397  172.902   51.565   70.987   39.579  112.999   18.944   71.814   20.843 41.18513 28.16634 
1 1 1   20   -5   20 o  150.434   11.746  291.565   43.776  234.391   68.643  330.757   56.832  129.889   21.945  159.054   14.467 -29.16478 26.28414 
1 1 1   20   -5   21 o  146.952   11.753  278.977   42.770  348.677   67.163  231.429   55.473  161.667   16.885  131.178   17.361 30.48874 24.21802 
1 1 1   20   -5   22 o  231.282   15.143  704.834   86.976  515.341  118.590  925.409  127.947  188.499   25.876  260.414   19.824 -71.91508 32.59697 
1 1 1   20   -5   23 o  139.026   12.517  252.327   42.990  251.558   65.233  252.917   57.159  134.472   20.038  136.688   17.121 -2.215347 26.35627 
1 1 1   20   -5   24 o  104.187   14.325  145.155   36.284   85.904   52.154  200.732   50.511   76.396   24.298  121.187   17.171 -44.79080 29.75313 
1 1 1   20   -5   25 o  150.012   12.241  295.142   45.457  269.531   65.821  318.497   62.854  138.351   19.600  152.794   16.748 -14.44302 25.78033 
1 1 1   20   -5   26 o  101.859   22.152  154.496   54.742   0.0000   0.0000  154.496   54.742  ?   ?   101.859   22.152 0.000000 22.15222 
1 1 1   20   -4    0 o  105.427   18.514  145.053   46.963  128.415   58.695  174.658   78.293   98.124   24.123  113.946   27.769 -15.82177 36.78393 
1 1 1   20   -4    1 o  528.939   23.794  3591.64  314.291  3019.00  439.205  4192.60  449.937  474.348   37.381  564.456   32.053 -90.10754 49.24163 
1 1 1   20   -4    2 o  202.736   15.409  522.219   77.425  476.757  103.384  580.281  116.836  191.928   21.966  211.817   22.430 -19.88885 31.39435 
1 1 1   20   -4    3 o  180.055   15.691  412.880   69.846  448.932   93.462  367.277  105.116  186.604   20.389  166.844   26.083 19.75999 33.10656 
1 1 1   20   -4    4 f  167.165   26.211  369.067  105.817   0.0000   0.0000  369.067  105.817  ?   ?   167.165   26.211 0.000000 26.21062 
1 1 1   20   -4    5 o  103.176   13.827  136.587   34.729  206.892   53.586   85.667   45.603  126.579   17.414   80.499   22.040 46.08048 28.08942 
1 1 1   20   -4    6 o  232.723   11.088  680.783   64.438  709.148   94.841  656.463   87.820  236.104   16.183  227.283   15.567 8.820984 22.45508 
1 1 1   20   -4    7 o  211.646   11.011  564.588   57.996  601.700   86.309  534.035   78.311  217.402   16.011  204.893   15.418 12.50827 22.22763 
1 1 1   20   -4    8 o  225.237   11.390  639.781   63.856  609.216   94.033  665.940   86.990  218.331   17.391  228.906   15.306 -10.57516 23.16771 
1 1 1   20   -4    9 f  171.237   11.277  370.475   47.954  372.467   72.201  368.903   64.145  170.386   17.205  170.044   15.269 0.3423157 23.00307 
1 1 1   20   -4   10 o  224.352   11.541  635.376   64.439  625.334   96.483  643.461   86.581  220.973   17.632  224.800   15.518 -3.826767 23.48804 
1 1 1   20   -4   11 o  268.494   11.425  907.960   76.602  966.460  113.840  859.554  103.554  275.201   16.643  259.679   16.048 15.52252 23.11987 
1 1 1   20   -4   12 o  324.303   12.525  1327.96  101.437  1330.51  147.757  1325.69  139.505  322.038   18.450  321.918   17.419 0.1195068 25.37359 
1 1 1   20   -4   13 o  468.560   15.891  2795.22  185.939  2841.23  266.604  2751.65  259.457  467.621   22.831  460.397   22.567 7.224396 32.10195 
1 1 1   20   -4   14 o  249.850   11.510  788.318   71.814  736.788  107.214  830.249   96.715  238.947   18.102  254.894   15.265 -15.94722 23.67928 
1 1 1   20   -4   15 o   57.020   17.733   41.750   27.930   53.288   46.431   35.208   34.963   66.333   22.982   55.733   19.890 10.60016 30.39383 
1 1 1   20   -4   16 o  162.258   13.329  337.066   53.532  449.154  134.952  316.136   58.316  178.642   31.397  156.555   15.104 22.08638 34.84140 
1 1 1   20   -4   17 o  244.495   16.927  775.223  102.712  976.594  174.305  668.105  127.129  267.750   26.414  223.322   23.132 44.42831 35.11053 
1 1 1   20   -4   18 o   97.591   16.983  126.665   39.884   98.560   54.158  159.968   58.955   84.352   24.353  107.805   22.621 -23.45341 33.23812 
1 1 1   20   -4   19 o   57.707   17.580   43.973   27.617   64.559   45.956   32.336   34.552   69.784   22.862   53.785   19.694 15.99894 30.17475 
1 1 1   20   -4   20 o   60.377   17.939   48.914   29.022   48.444   47.812   49.188   36.520   63.608   23.185   61.498   20.392 2.110207 30.87682 
1 1 1   20   -4   21 o  152.702   11.465  299.891   43.399  327.124   68.371  281.514   56.165  156.428   17.821  146.115   15.636 10.31346 23.70772 
1 1 1   20   -4   22 o  258.975   11.604  860.651   75.046  867.649  113.159  855.156  100.269  254.829   17.896  254.786   15.838 0.4362488E-01 23.89761 
1 1 1   20   -4   23 o   96.058   14.769  123.149   34.292  149.837   52.196  102.881   45.487  103.138   20.980   84.961   21.439 18.17724 29.99665 
1 1 1   20   -4   24 o  156.710   15.178  326.210   58.654  258.378   75.966  426.341   92.297  133.855   23.588  174.251   21.680 -40.39626 32.03788 
1 1 1   20   -4   25 o  161.221   12.090  338.834   48.318  313.385   71.404  360.330   65.626  150.126   19.507  163.557   16.284 -13.43036 25.41096 
1 1 1   20   -4   26 o   77.238   17.772   84.169   33.565   27.921   46.508  145.318   48.492   54.508   22.045  100.811   19.969 -46.30311 29.74447 
1 1 1   20   -4   27 o   99.656   15.328  135.931   36.922  126.062   49.591  148.208   55.307   91.922   21.913   99.248   22.796 -7.325447 31.62015 
1 1 1   20   -3    0 o  230.943   11.119  669.886   64.122  643.532   93.413  693.369   88.177  224.919   16.751  233.886   15.179 -8.967865 22.60594 
1 1 1   20   -3    1 o  413.369   13.940  2153.61  143.902  2126.96  205.727  2179.15  201.360  408.729   20.156  413.978   19.478 -5.248962 28.02956 
1 1 1   20   -3    2 o  318.078   12.750  1273.32  101.271  1138.06  145.149  1401.61  141.363  298.508   19.580  332.251   17.096 -33.74237 25.99344 
1 1 1   20   -3    3 o  156.437   15.615  312.218   60.186   0.0000   0.0000  312.218   60.186  ?   ?   156.437   15.615 0.000000 15.61509 
1 1 1   20   -3    4 o  190.061   20.956  466.206   97.808  466.206   97.808   0.0000   0.0000  190.061   20.956  ?   ?  0.000000 20.95611 
1 1 1   20   -3    5 o  138.030   16.491  244.483   55.717  210.273   72.759  292.985   86.635  125.983   24.004  149.262   24.061 -23.27879 33.98705 
1 1 1   20   -3    6 o  101.599   19.513  135.650   47.708  110.617   60.596  176.466   77.378   91.231   25.571  114.454   27.431 -23.22277 37.50071 
1 1 1   20   -3    7 o  377.819   19.522  1823.42  183.555  1809.51  256.600  1838.01  262.679  372.106   27.816  374.763   28.277 -2.657593 39.66470 
1 1 1   20   -3    8 o  103.263   19.716  140.275   48.986  156.154   63.664  117.232   76.693  108.082   24.191   94.545   29.382 13.53714 38.05952 
1 1 1   20   -3    9 o  322.737   12.551  1312.19  101.155  1221.38  146.102  1395.81  140.189  309.043   19.024  331.218   17.007 -22.17520 25.51740 
1 1 1   20   -3   10 o  264.129   11.661  878.088   76.915  857.223  112.745  896.252  105.195  259.113   17.527  265.472   15.942 -6.358948 23.69300 
1 1 1   20   -3   11 o  252.649   11.400  803.434   71.925  794.722  106.642  810.704   97.417  249.437   17.226  252.472   15.527 -3.035278 23.19085 
1 1 1   20   -3   12 o  393.537   13.840  1958.13  136.008  2050.77  196.283  1872.56  188.635  400.218   19.640  381.861   19.850 18.35687 27.92403 
1 1 1   20   -3   13 o  342.327   12.969  1480.61  110.867  1411.17  160.684  1543.70  153.165  331.223   19.513  347.360   17.716 -16.13651 26.35575 
1 1 1   20   -3   14 o  110.406   13.057  156.249   35.301  143.681   56.377  164.354   45.274  103.427   22.471  112.407   16.631 -8.980545 27.95585 
1 1 1   20   -3   15 o  125.812   12.051  201.838   37.398  181.981   59.713  214.653   47.971  116.879   21.241  129.023   15.179 -12.14369 26.10750 
1 1 1   20   -3   16 o  278.261   11.796  979.526   81.964  1009.49  121.757  954.696  110.840  279.802   17.514  272.629   16.356 7.172943 23.96396 
1 1 1   20   -3   17 o  211.353   11.136  566.581   58.569  494.140   88.413  623.230   78.185  194.701   18.403  220.617   14.268 -25.91679 23.28585 
1 1 1   20   -3   18 o  235.310   11.128  701.551   65.390  771.984  100.639  650.091   86.023  244.167   16.604  224.530   15.436 19.63716 22.67084 
1 1 1   20   -3   19 o  154.899   17.915  316.029   68.018  440.567  136.609  274.977   78.432  173.997   32.639  142.078   22.883 31.91916 39.86169 
1 1 1   20   -3   20 f  234.712   13.479  708.891   78.672  686.386  101.240  743.197  124.996  228.391   17.894  235.081   21.532 -6.690399 27.99668 
1 1 1   20   -3   21 o  200.681   11.265  515.166   56.225  480.294   85.988  541.212   74.313  190.050   18.346  204.029   14.684 -13.97884 23.49901 
1 1 1   20   -3   22 o  128.274   12.186  212.893   38.565  217.457   60.642  209.794   49.972  126.170   19.907  125.638   16.313 0.5324860 25.73722 
1 1 1   20   -3   23 o  109.977   13.383  158.576   35.995   96.716   55.428  203.689   47.335   81.945   24.892  123.821   15.659 -41.87626 29.40775 
1 1 1   20   -3   24 o  195.222   11.421  491.140   55.437  423.078   83.990  543.681   73.794  176.059   19.427  203.451   14.622 -27.39189 24.31530 
1 1 1   20   -3   25 o   72.079   18.215   72.605   32.800   75.738   49.825   70.209   43.574   72.927   23.801   70.446   22.189 2.480927 32.53973 
1 1 1   20   -3   26 o   80.135   20.149   91.987   40.278   99.284   47.534   73.406   75.850   82.288   22.490   74.129   28.721 8.158615 36.47921 
1 1 1   20   -3   27 o   84.151   16.336   97.966   33.090   84.939   45.074  113.195   48.734   75.832   22.311   87.417   22.264 -11.58487 31.51906 
1 1 1   20   -3   28 o   61.698   17.895   54.104   29.183   37.707   37.135   80.585   47.191   54.823   20.356   73.188   23.096 -18.36472 30.78620 
1 1 1   20   -2    0 o  187.891   10.906  444.727   50.953  353.875   73.585  528.410   70.622  166.155   18.024  204.328   13.924 -38.17245 22.77566 
1 1 1   20   -2    1 o  371.978   13.122  1741.77  121.886  1743.63  174.478  1739.99  170.343  370.096   18.942  370.334   18.420 -0.2388611 26.42143 
1 1 1   20   -2    2 f  286.115   12.019  1029.20   85.872  919.112  123.618  1131.87  119.377  268.500   18.551  298.827   16.056 -30.32712 24.53420 
1 1 1   20   -2    3 o  236.957   10.941  705.137   64.742  672.864   94.045  734.210   89.260  230.065   16.479  240.750   14.921 -10.68430 22.22990 
1 1 1   20   -2    4 o  194.338   11.181  475.999   54.031  453.566   79.587  495.177   73.588  188.505   17.093  197.498   15.034 -8.992340 22.76364 
1 1 1   20   -2    5 o  157.299   11.020  312.306   43.013  279.339   64.003  339.457   58.085  147.410   17.743  163.432   14.379 -16.02226 22.83784 
1 1 1   20   -2    6 o   98.685   13.638  125.001   32.711  117.583   50.348  130.419   43.030   94.089   21.848   99.948   17.898 -5.858742 28.24284 
1 1 1   20   -2    7 o  310.991   12.499  1217.38   97.064  1201.55  139.812  1232.10  134.861  307.032   18.319  311.225   17.422 -4.192932 25.28067 
1 1 1   20   -2    8 o  149.307   12.786  282.766   47.211  249.680   78.477  301.532   59.102  137.588   23.696  153.646   15.621 -16.05780 28.38148 
1 1 1   20   -2    9 o  278.151   16.285  983.207  112.619  861.108  154.708  1120.85  164.257  257.440   24.354  294.784   22.483 -37.34381 33.14550 
1 1 1   20   -2   10 o  215.803   15.290  591.965   81.866  514.156  110.795  685.531  121.496  198.880   22.717  230.466   21.353 -31.58632 31.17708 
1 1 1   20   -2   11 o  279.090   16.546  991.417  114.804  998.893  159.582  983.397  165.283  277.613   23.233  274.958   24.323 2.654633 33.63587 
1 1 1   20   -2   12 o  370.652   13.418  1734.34  124.197  1647.36  178.898  1815.27  172.555  358.298   20.075  377.425   18.308 -19.12671 27.16998 
1 1 1   20   -2   13 o  258.754   11.468  843.155   74.098  762.685  109.498  911.133  100.642  243.926   18.105  267.737   15.115 -23.81168 23.58514 
1 1 1   20   -2   14 o  155.637   11.306  306.722   43.641  343.301   67.986  281.086   56.916  163.364   16.910  147.995   15.637 15.36967 23.03208 
1 1 1   20   -2   15 o  149.314   11.297  282.646   41.811  237.539   64.782  314.851   54.739  134.599   19.871  156.999   14.113 -22.40005 24.37287 
1 1 1   20   -2   16 o  154.462   11.283  302.664   43.218  308.700   67.902  298.553   56.033  154.183   17.973  152.516   14.903 1.667526 23.34770 
1 1 1   20   -2   17 o  224.205   11.073  634.928   61.993  665.461   94.198  611.601   82.337  227.309   16.712  218.455   15.188 8.854233 22.58235 
1 1 1   20   -2   18 o  209.862   11.130  558.632   58.120  519.459   88.274  588.607   77.219  199.895   17.873  214.279   14.516 -14.38460 23.02517 
1 1 1   20   -2   19 f   72.265   16.335   69.799   28.785   78.368   47.959   64.973   35.988   76.266   23.152   69.559   19.780 6.707230 30.45054 
1 1 1   20   -2   20 o   81.114   15.440   87.355   30.133   88.283   50.507   86.842   37.548   80.164   23.626   79.950   19.073 0.2145462 30.36434 
1 1 1   20   -2   21 o  224.290   17.549  660.949   97.506  761.903  171.889  613.051  118.399  229.929   30.704  212.516   22.660 17.41260 38.16004 
1 1 1   20   -2   22 o  226.160   13.397  660.216   75.324  705.894   98.202  594.935  117.398  231.538   17.105  208.227   22.959 23.31055 28.63058 
1 1 1   20   -2   23 f  146.908   11.731  278.051   42.676  265.518   66.719  286.730   55.520  139.779   19.658  147.651   15.279 -7.872452 24.89702 
1 1 1   20   -2   24 o  129.393   12.162  217.083   38.837  178.385   59.012  246.651   51.583  112.734   21.750  136.538   15.398 -23.80424 26.64883 
1 1 1   20   -2   25 o  128.997   17.286  224.571   54.282   0.0000   0.0000  224.571   54.282  ?   ?   128.997   17.286 0.000000 17.28567 
1 1 1   20   -2   26 o   73.899   22.282   78.227   44.534   78.227   44.534   0.0000   0.0000   73.899   22.282  ?   ?  0.000000 22.28193 
1 1 1   20   -2   27 o   87.640   15.750  104.761   33.203   89.778   45.505  121.820   48.556   78.404   22.224   91.668   21.571 -13.26448 30.97102 
1 1 1   20   -2   28 o   29.421   13.957 -29.7918   27.593 -33.2142   29.664  -7.8272   75.151   30.202   14.369   55.992   25.281 -25.79040 29.07899 
1 1 1   20   -2   29 o   60.231   17.987   51.429   29.122   47.178   36.343   59.057   48.678   58.616   20.331   64.812   23.429 -6.196095 31.02087 
1 1 1   20   -1    0 o  266.964   11.787  895.601   78.577  801.476  112.749  984.492  109.570  250.831   18.122  278.756   15.805 -27.92448 24.04642 
1 1 1   20   -1    1 o  476.911   16.161  2874.48  192.463  2738.22  273.108  3008.91  271.269  461.687   23.769  485.258   22.386 -23.57117 32.65119 
1 1 1   20   -1    2 o  112.994   15.792  164.292   43.342   0.0000   0.0000  164.292   43.342  ?   ?   112.994   15.792 0.000000 15.79204 
1 1 1   20   -1    3 o  169.248   16.626  365.693   69.361  365.693   69.361   0.0000   0.0000  169.248   16.626  ?   ?  0.000000 16.62576 
1 1 1   20   -1    4 o  165.964   10.858  347.314   44.753  289.893   66.036  396.086   60.860  150.194   17.963  176.758   13.900 -26.56363 22.71309 
1 1 1   20   -1    5 o  211.988   10.804  565.736   57.004  508.350   83.056  616.841   78.379  199.729   16.809  220.723   14.297 -20.99413 22.06665 
1 1 1   20   -1    6 o  146.016   11.246  269.431   40.692  255.989   60.844  280.310   54.734  141.053   17.661  148.281   14.987 -7.227249 23.16305 
1 1 1   20   -1    7 o   81.283   15.338   86.134   29.992   82.222   46.649   88.890   39.157   79.117   22.528   81.994   19.423 -2.877304 29.74445 
1 1 1   20   -1    8 o   96.688   13.667  120.107   32.078  139.339   50.066  106.713   41.781  102.870   20.211   89.954   19.185 12.91584 27.86641 
1 1 1   20   -1    9 o  141.064   11.294  251.698   39.452  219.810   59.073  277.372   53.006  130.235   18.701  147.527   14.579 -17.29176 23.71184 
1 1 1   20   -1   10 o  205.364   10.950  531.481   55.951  515.933   83.071  544.392   75.696  201.103   16.693  207.088   14.734 -5.985275 22.26485 
1 1 1   20   -1   11 o  330.979   12.733  1380.19  105.238  1310.74  152.251  1443.73  145.628  320.207   19.128  336.786   17.375 -16.57883 25.84117 
1 1 1   20   -1   12 o   99.916   18.908  131.197   45.449   82.701   58.874  202.721   71.498   80.501   25.839  123.415   24.064 -42.91364 35.30877 
1 1 1   20   -1   13 o  104.253   18.557  142.453   46.540  132.785   61.406  155.501   71.340   99.375   24.819  107.240   26.733 -7.865402 36.47784 
1 1 1   20   -1   14 o  199.299   14.979  505.880   74.002  474.383  102.257  540.516  107.230  190.854   21.849  204.046   21.361 -13.19128 30.55639 
1 1 1   20   -1   15 o  137.477   11.778  239.974   40.046  246.955   62.833  235.198   51.968  137.781   18.749  135.229   15.680 2.551819 24.44156 
1 1 1   20   -1   16 o  208.535   10.845  549.315   56.279  556.221   85.652  544.067   74.658  208.251   16.608  206.582   14.565 1.669189 22.09047 
1 1 1   20   -1   17 o  329.052   12.551  1370.09  103.134  1432.34  151.347  1316.13  140.918  333.540   18.240  319.966   17.705 13.57379 25.42004 
1 1 1   20   -1   18 o   82.970   15.103   90.382   30.139   84.014   48.973   94.264   38.237   79.150   23.247   83.940   18.719 -4.790100 29.84621 
1 1 1   20   -1   19 o   50.362   17.270   30.254   26.188   33.177   43.544   28.598   32.778   57.784   21.918   51.975   19.159 5.809162 29.11114 
1 1 1   20   -1   20 o  179.322   11.124  408.987   49.568  388.973   77.023  423.136   64.761  172.261   18.180  181.298   14.424 -9.037460 23.20670 
1 1 1   20   -1   21 o  231.119   11.142  678.241   64.304  676.109   98.217  679.841   85.071  227.454   17.424  229.438   14.929 -1.984726 22.94537 
1 1 1   20   -1   22 o  227.745   11.029  659.738   62.723  675.705   96.119  647.895   82.777  227.036   17.079  223.554   14.913 3.482040 22.67361 
1 1 1   20   -1   23 o  130.204   19.497  229.354   61.443  349.510  136.969  199.083   68.748  148.199   37.097  118.876   23.986 29.32286 44.17572 
1 1 1   20   -1   24 o  105.942   16.741  150.523   42.819  140.543   59.230  161.449   61.973   98.991   24.170  106.369   23.913 -7.377518 34.00034 
1 1 1   20   -1   25 o  181.031   11.220  421.234   50.471  440.517   77.634  407.119   66.423  181.649   17.325  175.841   15.279 5.808289 23.09946 
1 1 1   20   -1   26 o   53.906   18.143   37.478   28.895   21.337   41.190   53.117   40.544   51.430   20.766   63.185   21.490 -11.75489 29.88367 
1 1 1   20   -1   27 o  181.605   11.411  426.381   51.486  406.536   76.471  442.835   69.632  173.048   17.958  182.563   15.418 -9.514893 23.66822 
1 1 1   20   -1   28 o  100.756   14.142  135.734   34.603   60.025   47.178  223.880   50.906   66.100   23.151  128.620   16.209 -62.51978 28.26143 
1 1 1   20   -1   29 o   99.749   14.731  134.591   35.591  130.229   47.547  140.150   53.674   94.775   20.672   97.194   22.550 -2.419159 30.59165 
1 1 1   20    0    0 o  678.947   21.869  5882.03  370.777  5671.54  524.893  6091.66  523.826  658.745   31.908  683.868   30.674 -25.12256 44.26059 
1 1 1   20    0    1 o  382.203   14.160  1840.81  135.148  1656.90  192.842  2018.33  189.460  359.838   21.560  398.737   19.027 -38.89908 28.75550 
1 1 1   20    0    2 o  186.387   15.736  441.754   72.557  441.754   72.557   0.0000   0.0000  186.387   15.736  ?   ?  0.000000 15.73606 
1 1 1   20    0    3 o  108.336   12.419  149.487   32.990   94.858   49.501  193.141   44.250   84.702   22.869  122.903   14.710 -38.20090 27.19116 
1 1 1   20    0    4 o  265.030   11.573  882.570   76.594  817.549  110.381  942.952  106.371  253.469   17.547  272.796   15.681 -19.32622 23.53241 
1 1 1   20    0    5 o  254.877   11.411  816.165   72.626  757.523  104.626  870.697  100.893  243.991   17.284  262.133   15.482 -18.14143 23.20366 
1 1 1   20    0    6 o  235.281   11.218  695.399   65.910  637.811   95.288  748.227   91.265  223.790   17.182  243.003   15.115 -19.21280 22.88395 
1 1 1   20    0    7 o  226.958   11.104  647.051   62.932  650.250   91.820  644.217   86.424  226.154   16.369  225.315   15.453 0.8388062 22.51129 
1 1 1   20    0    8 o  288.380   11.844  1045.66   85.292  970.570  122.612  1116.07  118.725  276.053   17.883  296.638   16.088 -20.58484 24.05408 
1 1 1   20    0    9 o  144.966   11.219  265.632   40.296  267.518   60.616  264.138   53.942  144.324   17.155  143.816   15.253 0.5078888 22.95512 
1 1 1   20    0   10 o  126.580   11.882  203.271   37.118  173.685   56.144  226.244   49.473  115.116   20.271  132.980   15.170 -17.86399 25.31849 
1 1 1   20    0   11 o   42.902   16.660   14.793   25.564   3.4846   40.811   22.096   32.795   47.498   20.054   49.742   18.985 -2.243866 27.61487 
1 1 1   20    0   12 o  166.460   11.014  349.800   45.524  362.216   69.331  340.390   60.360  168.228   16.725  163.441   14.955 4.787689 22.43615 
1 1 1   20    0   13 o   86.575   15.072   97.456   31.402   49.223   49.487  129.967   40.629   66.255   23.662   99.894   16.889 -33.63931 29.07094 
1 1 1   20    0   14 o  309.852   12.373  1209.96   95.735  1182.71  139.390  1234.29  131.714  304.106   18.442  311.232   17.012 -7.126556 25.09006 
1 1 1   20    0   15 o  180.462   14.965  415.254   66.830  456.555   92.447  370.044   96.723  187.806   20.021  167.623   23.773 20.18330 31.08050 
1 1 1   20    0   16 o  403.089   19.976  2085.79  201.079  1874.02  282.288  2303.93  286.496  374.368   30.460  417.705   27.622 -43.33676 41.11899 
1 1 1   20    0   17 o  124.077   16.032  199.083   48.512  168.302   66.970  233.067   70.367  111.490   24.704  132.587   22.026 -21.09677 33.09730 
1 1 1   20    0   18 o  181.199   10.941  415.651   49.275  378.024   75.941  443.012   64.757  170.732   18.087  186.288   14.023 -15.55583 22.88682 
1 1 1   20    0   19 o  137.776   11.407  241.570   38.893  186.607   61.330  278.542   50.301  117.989   21.612  147.391   13.828 -29.40274 25.65705 
1 1 1   20    0   20 f  236.779   11.133  709.453   65.829  715.306  100.030  704.982   87.429  235.049   17.161  234.313   15.021 0.7359314 22.80613 
1 1 1   20    0   21 o  166.750   11.125  353.943   46.061  313.213   72.478  381.538   59.658  153.879   19.285  172.222   13.993 -18.34305 23.82656 
1 1 1   20    0   22 o   54.717   17.290   38.680   26.441   43.078   44.645   36.304   32.816   61.301   22.395   55.104   19.308 6.196877 29.56900 
1 1 1   20    0   23 o  164.245   11.183  344.898   45.595  357.183   71.965  336.660   58.931  164.285   17.828  160.847   14.839 3.438019 23.19557 
1 1 1   20    0   24 o   77.560   17.069   81.674   32.163   54.685   56.514   94.603   39.115   67.674   25.115   82.900   19.262 -15.22578 31.65122 
1 1 1   20    0   25 o  185.558   37.894  555.622  169.651  555.622  169.651   0.0000   0.0000  185.558   37.894  ?   ?  0.000000 37.89358 
1 1 1   20    0   26 o  124.212   20.672  213.645   61.865  367.465  151.906  183.059   67.737  145.516   40.380  112.443   24.791 33.07298 47.38317 
1 1 1   20    0   27 o   86.986   15.542  102.102   32.522  135.048   47.544   73.127   44.586   98.221   20.062   72.010   22.407 26.21150 30.07546 
1 1 1   20    0   28 o   66.885   17.718   62.317   30.066   90.190   41.993   33.000   43.067   79.353   20.901   55.712   21.626 23.64022 30.07579 
1 1 1   20    0   29 o   88.118   15.645  105.920   33.165  116.036   45.133   94.045   48.897   89.837   20.563   79.747   23.174 10.08969 30.98133 
1 1 1   20    0   30 o  216.008   11.790  609.043   63.356  579.387   91.941  635.857   87.426  204.702   18.175  216.542   16.287 -11.83990 24.40507 
1 1 1   20    1    0 o  683.621   22.067  5964.66  376.706  5691.87  532.967  6236.99  532.518  659.620   32.356  691.948   30.818 -32.32837 44.68431 
1 1 1   20    1    1 o  157.507   14.037  314.954   54.631  185.395  109.492  357.900   63.038  117.460   34.831  167.752   15.214 -50.29156 38.00833 
1 1 1   20    1    2 o  368.946   13.261  1713.34  122.178  1660.28  173.786  1765.21  171.804  361.067   19.344  373.093   18.440 -12.02567 26.72545 
1 1 1   20    1    3 o  296.052   12.352  1102.07   91.320  1008.50  130.363  1192.23  127.962  281.356   18.660  306.578   16.778 -25.22202 25.09398 
1 1 1   20    1    4 f  445.236   15.400  2502.51  171.222  2403.57  243.303  2599.59  241.001  433.089   22.575  451.509   21.375 -18.41937 31.08874 
1 1 1   20    1    5 o  190.915   10.759  459.004   51.082  447.426   74.832  469.108   69.903  187.486   16.141  192.319   14.666 -4.832764 21.80848 
1 1 1   20    1    6 o  219.599   10.703  605.401   58.694  625.833   85.979  587.571   80.320  222.070   15.603  215.266   15.036 6.804062 21.66907 
1 1 1   20    1    7 o  129.694   11.540  213.007   36.984  168.203   54.585  251.033   50.287  113.392   20.008  140.347   14.560 -26.95449 24.74534 
1 1 1   20    1    8 o  148.636   11.100  279.030   40.904  262.971   60.826  292.288   55.267  143.067   17.383  151.492   14.798 -8.425354 22.82842 
1 1 1   20    1    9 o  265.681   11.523  887.173   76.450  778.220  110.047  988.805  106.285  247.053   17.961  279.384   15.292 -32.33110 23.58882 
1 1 1   20    1   10 o   59.942   16.842   46.768   26.253   73.827   42.475   30.041   33.396   75.098   21.534   53.375   19.389 21.72249 28.97662 
1 1 1   20    1   11 o   70.708   16.282   65.771   28.155   67.046   44.268   64.905   36.485   72.295   22.299   70.418   19.878 1.877121 29.87301 
1 1 1   20    1   12 o   63.995   16.966   53.763   27.553   58.667   43.434   50.460   35.644   68.548   22.213   63.328   20.081 5.219398 29.94498 
1 1 1   20    1   13 o  217.049   11.103  593.764   59.979  577.729   89.097  607.054   81.110  212.783   16.907  218.653   14.944 -5.869965 22.56523 
1 1 1   20    1   14 o  360.020   13.550  1635.61  121.816  1613.30  175.710  1656.25  169.033  354.878   19.908  360.046   18.866 -5.168213 27.42705 
1 1 1   20    1   15 o  159.717   11.298  322.569   44.769  295.957   69.190  341.734   58.717  151.269   18.716  163.766   14.508 -12.49767 23.68068 
1 1 1   20    1   16 o  163.041   11.009  336.033   44.562  300.830   68.635  361.685   58.590  152.509   18.393  168.548   14.048 -16.03857 23.14437 
1 1 1   20    1   17 o   76.480   16.015   77.043   29.605   96.905   48.655   65.367   37.306   85.052   22.544   70.454   20.175 14.59870 30.25348 
1 1 1   20    1   18 o  226.125   15.060  652.565   84.552  555.037  117.137  758.655  122.171  205.366   23.251  241.773   20.426 -36.40747 30.94888 
1 1 1   20    1   19 o   59.399   20.177   42.786   35.741   39.567   48.333   46.671   53.092   61.953   23.180   65.850   24.362 -3.896690 33.62765 
1 1 1   20    1   20 o   92.261   14.112  110.701   31.479  101.242   51.201  116.450   39.914   86.274   23.243   93.717   17.704 -7.442917 29.21784 
1 1 1   20    1   21 o  128.394   11.639  210.564   36.913  211.260   58.789  210.110   47.429  126.237   19.259  127.256   15.227 -1.018555 24.55149 
1 1 1   20    1   22 o   88.598   14.067  102.720   30.082   95.802   48.998  106.905   38.109   83.481   22.841   89.367   17.703 -5.886223 28.89825 
1 1 1   20    1   23 o  153.685   11.206  301.679   42.711  263.446   67.322  327.433   55.254  140.268   19.768  159.151   14.047 -18.88383 24.25066 
1 1 1   20    1   24 o  109.598   15.970  158.895   42.423  176.360  137.026  157.044   44.616  107.634   39.248  108.547   17.019 -0.9136047 42.77889 
1 1 1   20    1   25 o  213.685   13.277  589.921   70.499  570.203   91.737  618.363  110.179  207.271   17.899  213.647   20.920 -6.376038 27.53237 
1 1 1   20    1   26 o  223.374   11.055  637.685   61.667  572.377   93.776  687.444   81.854  206.844   18.345  229.738   14.340 -22.89345 23.28463 
1 1 1   20    1   27 o   62.070   20.704   51.136   37.626  271.277  144.787   35.192   38.965  123.981   40.578   55.732   20.820 68.24883 45.60791 
1 1 1   20    1   28 o   48.272   20.623   6.7772   44.043   38.569  146.112   3.5997   46.192   80.773   35.951   48.410   20.907 32.36303 41.58849 
1 1 1   20    1   29 o  181.784   11.303  427.346   51.058  311.433   74.045  532.421   70.498  149.377   20.382  201.084   14.129 -51.70673 24.80046 
1 1 1   20    1   30 o  131.584   12.460  227.320   40.454  200.750   56.216  255.856   58.259  119.515   19.509  136.597   17.480 -17.08232 26.19477 
1 1 1   20    1   31 o  146.099   12.367  281.008   44.694  267.720   61.366  296.019   65.224  138.605   18.167  145.688   18.334 -7.083221 25.81035 
1 1 1   20    2    0 o  719.231   33.339  6784.71  598.781   0.0000   0.0000  6784.71  598.781  ?   ?   719.231   33.339 0.000000 33.33869 
1 1 1   20    2    1 o  135.358   17.187  235.388   56.784  235.388   56.784   0.0000   0.0000  135.358   17.187  ?   ?  0.000000 17.18669 
1 1 1   20    2    2 o  230.036   10.893  664.295   62.572  638.845   89.881  688.229   87.162  224.303   16.155  233.103   15.054 -8.799362 22.08161 
1 1 1   20    2    3 o  384.307   13.884  1860.40  133.244  1702.85  189.151  2015.59  187.729  365.118   20.832  398.539   18.863 -33.42090 28.10301 
1 1 1   20    2    4 o  149.532   10.887  282.175   40.372  264.495   59.206  297.541   55.195  143.668   16.821  152.937   14.631 -9.268936 22.29360 
1 1 1   20    2    5 o  339.451   13.041  1450.10  110.548  1306.82  156.908  1591.32  155.775  320.057   19.728  354.455   17.599 -34.39740 26.43727 
1 1 1   20    2    6 o  157.721   10.365  313.493   40.596  292.865   59.596  331.351   55.451  151.431   16.002  161.596   13.876 -10.16537 21.18030 
1 1 1   20    2    7 o   91.184   12.878  106.650   28.507  150.270   43.381   73.498   37.819  107.786   16.654   74.717   19.910 33.06875 25.95672 
1 1 1   20    2    8 o  140.702   11.343  250.299   39.516  202.837   58.446  290.265   53.632  124.947   19.358  151.055   14.392 -26.10770 24.12170 
1 1 1   20    2    9 o   92.826   13.624  110.808   30.642   85.175   46.540  130.422   40.711   80.410   22.364  100.195   16.870 -19.78465 28.01368 
1 1 1   20    2   10 o  144.885   11.165  265.263   40.083  244.258   59.835  282.363   53.987  137.691   17.820  148.878   14.714 -11.18645 23.10968 
1 1 1   20    2   11 o  126.155   11.933  201.899   37.145  148.138   55.997  244.144   49.638  105.786   21.918  138.344   14.588 -32.55804 26.32906 
1 1 1   20    2   12 o  153.972   11.244  299.521   42.933  244.358   64.228  344.076   57.724  137.312   19.261  164.549   14.187 -27.23639 23.92172 
1 1 1   20    2   13 o  118.456   12.116  178.381   35.335  116.212   54.181  224.392   46.611   93.329   23.315  132.586   14.305 -39.25630 27.35370 
1 1 1   20    2   14 o  175.745   11.381  390.019   49.681  265.787   74.583  489.110   66.610  142.571   21.628  196.441   13.664 -53.86961 25.58217 
1 1 1   20    2   15 o  233.881   11.152  687.945   65.133  671.644   96.554  701.558   88.232  229.411   16.975  235.010   15.115 -5.598251 22.72864 
1 1 1   20    2   16 o  161.849   11.286  331.215   45.330  281.961   69.685  367.344   59.682  147.387   19.405  169.896   14.197 -22.50879 24.04435 
1 1 1   20    2   17 o  109.507   12.759  153.329   34.237  125.438   54.082  171.983   44.229   96.721   22.769  115.400   15.760 -18.67900 27.69118 
1 1 1   20    2   18 o   74.241   16.112   72.731   29.012   86.481   46.788   64.142   36.980   80.536   22.433   69.821   20.114 10.71554 30.12939 
1 1 1   20    2   19 o   94.792   13.759  116.161   31.618   74.807   50.790  142.327   40.401   75.861   23.963  104.569   15.979 -28.70788 28.80146 
1 1 1   20    2   20 o  153.213   11.371  298.095   43.196  235.819   67.176  341.999   56.404  133.432   20.842  163.505   13.948 -30.07343 25.07851 
1 1 1   20    2   21 o  133.215   15.157  229.447   49.525  215.697   69.201  243.883   70.906  126.501   22.742  135.088   21.758 -8.587090 31.47435 
1 1 1   20    2   22 o   88.745   18.384  105.571   39.401   74.026   55.730  137.095   55.712   75.508   25.198  100.032   22.809 -24.52426 33.98783 
1 1 1   20    2   23 o  224.333   11.357  640.428   63.416  594.935   97.831  673.398   83.284  212.859   18.591  228.632   14.665 -15.77315 23.67897 
1 1 1   20    2   24 o   38.277   15.942   5.3327   25.257   1.6963   40.647   7.6198   32.236   46.026   19.742   43.295   18.020 2.730938 26.72925 
1 1 1   20    2   25 o  154.786   11.341  306.965   43.530  250.775   68.587  344.865   56.329  135.713   20.910  163.070   13.968 -27.35713 25.14571 
1 1 1   20    2   26 o  156.071   11.303  312.638   43.755  216.578   67.820  381.130   57.268  124.627   22.625  171.449   13.485 -46.82227 26.33896 
1 1 1   20    2   27 o  143.476   11.583  265.330   41.145  226.722   63.230  293.682   54.186  128.436   20.396  149.615   14.693 -21.17923 25.13744 
1 1 1   20    2   28 o   40.017   16.338   9.7238   25.830   34.849   36.649 -15.0737   36.409   54.857   20.252   38.843   17.562 16.01422 26.80554 
1 1 1   20    2   29 o   89.655   20.486  113.776   44.863 -155.9048  156.932  137.777   46.816   64.359   31.229   99.349   19.567 -34.99010 36.85263 
1 1 1   20    2   30 o  126.784   21.514  228.574   65.678  514.419  176.331  182.529   70.770  165.245   42.493  109.818   26.177 55.42733 49.90885 
1 1 1   20    2   31 o   78.835   16.215   85.961   30.856   78.014   40.092   97.508   48.325   73.331   20.886   81.009   22.881 -7.677391 30.98000 
1 1 1   20    3    0 o  316.499   11.928  1258.79   94.270  1343.11  135.425  1179.53  131.307  325.512   16.717  304.821   17.322 20.69110 24.07250 
1 1 1   20    3    1 o  169.415   10.615  361.589   44.680  323.196   64.512  396.982   61.941  159.090   16.477  176.960   14.135 -17.86943 21.70943 
1 1 1   20    3    2 o  187.247   10.586  441.391   49.296  433.381   71.213  448.762   68.307  184.650   15.590  188.111   14.657 -3.460922 21.39783 
1 1 1   20    3    3 o  270.382   11.448  918.270   77.296  860.148  110.454  974.052  108.208  260.197   17.094  277.322   15.689 -17.12485 23.20288 
1 1 1   20    3    4 o  266.740   11.722  893.984   78.079  776.467  110.917  1009.42  109.931  246.885   18.117  282.327   15.654 -35.44179 23.94338 
1 1 1   20    3    5 o  345.372   13.419  1501.74  115.730  1440.54  163.696  1562.89  163.639  336.158   19.585  350.480   18.765 -14.32144 27.12403 
1 1 1   20    3    6 o  187.051   11.987  441.544   55.698  388.136   71.702  522.804   88.444  174.424   16.665  202.422   17.674 -27.99786 24.29153 
1 1 1   20    3    7 o  154.119   12.422  300.615   47.401  240.163   61.965  385.891   73.596  136.371   18.687  173.787   17.184 -37.41649 25.38694 
1 1 1   20    3    8 o   63.258   17.020   52.368   27.475   46.701   40.115   57.376   37.708   62.790   21.376   67.031   20.565 -4.240463 29.66232 
1 1 1   20    3    9 o   67.370   16.874   59.675   28.327   79.154   40.958   41.814   39.220   77.484   20.752   60.461   21.112 17.02320 29.60354 
1 1 1   20    3   10 f  375.032   13.457  1771.71  126.028  1773.66  179.877  1769.83  176.628  373.008   19.378  372.736   19.040 0.2722168 27.16633 
1 1 1   20    3   11 o  240.494   11.411  726.850   68.528  722.404   99.370  730.882   94.630  238.293   16.807  239.930   15.884 -1.636703 23.12507 
1 1 1   20    3   12 o  136.904   11.467  237.210   38.843  195.207   58.564  270.199   51.902  122.340   19.850  145.636   14.463 -23.29549 24.55972 
1 1 1   20    3   13 o  245.692   11.090  758.571   68.039  743.665   99.662  771.583   93.115  241.760   16.609  246.649   15.192 -4.888382 22.50862 
1 1 1   20    3   14 o   97.496   13.480  122.051   31.942   91.524   49.820  143.359   41.623   83.167   23.142  105.202   16.377 -22.03471 28.35030 
1 1 1   20    3   15 o  108.059   12.712  149.087   33.648  119.282   52.570  169.773   43.794   94.565   22.574  114.798   15.687 -20.23273 27.48968 
1 1 1   20    3   16 o  201.988   11.091  514.630   55.728  472.578   83.741  548.056   74.661  192.019   17.662  207.738   14.483 -15.71944 22.84073 
1 1 1   20    3   17 o  187.268   11.082  442.770   51.592  375.904   78.398  493.848   68.521  170.691   18.699  197.184   14.007 -26.49318 23.36294 
1 1 1   20    3   18 o   55.190   17.482   38.309   27.018   23.274   43.818   47.531   34.317   54.988   21.676   61.494   19.726 -6.506012 29.30824 
1 1 1   20    3   19 f  303.569   12.218  1163.50   92.622  1094.23  136.307  1222.92  126.246  291.634   18.817  309.452   16.396 -17.81735 24.95784 
1 1 1   20    3   20 o  131.866   11.736  221.283   38.242  230.476   61.327  215.434   48.917  132.638   19.063  129.204   15.469 3.433273 24.54977 
1 1 1   20    3   21 o  213.882   10.919  579.010   58.125  530.466   89.245  614.772   76.599  202.409   17.839  219.449   14.052 -17.03978 22.70845 
1 1 1   20    3   22 o   84.276   14.424   92.998   29.264   99.131   48.363   89.456   36.756   85.319   22.410   81.663   18.458 3.656410 29.03325 
1 1 1   20    3   23 o  122.515   22.499  203.847   66.297   0.0000   0.0000  203.847   66.297  ?   ?   122.515   22.499 0.000000 22.49889 
1 1 1   20    3   24 o   95.076   23.840  125.921   56.497  125.921   56.497   0.0000   0.0000   95.076   23.840  ?   ?  0.000000 23.83967 
1 1 1   20    3   25 f  286.230   11.984  1045.21   85.659  1036.68  128.950  1051.96  114.596  280.431   18.518  284.245   16.212 -3.814514 24.61182 
1 1 1   20    3   26 o  128.865   11.882  213.926   37.804  174.881   59.996  239.636   48.685  112.208   22.198  135.419   14.629 -23.21194 26.58499 
1 1 1   20    3   27 o   60.421   17.369   49.375   27.603   41.822   42.963   54.685   36.021   59.716   21.946   63.799   20.183 -4.082649 29.81570 
1 1 1   20    3   28 o   75.842   16.275   78.153   29.900  103.293   45.314   58.766   39.793   85.601   21.288   65.867   21.254 19.73491 30.08115 
1 1 1   20    3   29 o   41.734   16.518   14.293   25.541   4.5148   35.425   24.879   36.858   43.515   18.541   51.020   19.950 -7.505424 27.23573 
1 1 1   20    3   30 o  128.957   12.325  216.892   39.207  202.587   56.527  230.153   54.427  120.970   19.365  130.404   17.128 -9.434036 25.85318 
1 1 1   20    3   31 o   36.775   17.097 -27.2400   37.922   41.180  168.793 -30.8771   38.917   82.091   37.389   36.648   17.131 45.44218 41.12670 
1 1 1   20    3   32 o   77.873   25.057   91.709   55.339  106.281  178.469   90.159   58.208   87.985   39.405   77.215   25.751 10.77019 47.07277 
1 1 1   20    4    0 o  572.818   26.360  4226.12  377.056  4226.12  377.056   0.0000   0.0000  572.818   26.360  ?   ?  0.000000 26.35961 
1 1 1   20    4    1 o  258.721   11.093  840.433   71.668  861.364  102.732  820.589  100.030  260.704   15.855  254.445   15.821 6.259705 22.39875 
1 1 1   20    4    2 o  106.649   12.149  144.782   31.779  143.067   47.523  146.169   42.741  104.667   18.877  106.303   16.647 -1.636589 25.16847 
1 1 1   20    4    3 o  350.182   18.566  1559.35  161.774  1555.16  236.915  1563.01  221.434  345.943   27.656  347.751   25.681 -1.807770 37.74035 
1 1 1   20    4    4 o  377.541   18.858  1808.71  177.787  1940.04  260.391  1694.03  243.333  386.857   27.126  361.364   27.164 25.49319 38.38861 
1 1 1   20    4    5 o  410.262   21.604  2152.27  220.556  1825.55  317.619  2456.53  306.504  370.878   34.698  434.738   28.389 -63.86084 44.83154 
1 1 1   20    4    6 o  243.750   14.227  751.270   86.220  1066.22  138.640  552.640  110.101  289.123   19.314  207.106   21.607 82.01625 28.98038 
1 1 1   20    4    7 f  365.285   18.207  1691.80  166.081  1887.47  244.939  1525.29  225.955  382.115   25.821  342.976   26.590 39.13846 37.06390 
1 1 1   20    4    8 o  327.396   19.279  1366.23  156.926  1014.28  228.889  1678.40  215.563  275.903   33.937  361.016   24.049 -85.11279 41.59376 
1 1 1   20    4    9 o  129.553   15.800  215.077   50.057  280.540   96.695  191.111   58.507  145.072   27.702  121.048   20.058 24.02415 34.20070 
1 1 1   20    4   10 o  367.969   18.957  1724.29  173.604  1824.73  256.908  1639.87  235.512  374.510   27.666  355.417   26.731 19.09323 38.47031 
1 1 1   20    4   11 o  390.680   20.245  1949.03  196.835  1915.54  287.694  1978.50  269.890  382.046   30.407  389.783   27.912 -7.736877 41.27583 
1 1 1   20    4   12 o  122.425   16.874  193.214   50.216  190.567  101.904  194.063   57.710  118.483   33.143  122.058   19.597 -3.574371 38.50280 
1 1 1   20    4   13 o  231.458   15.566  680.176   89.450  812.882  148.263  604.226  112.164  250.427   24.002  216.594   21.001 33.83278 31.89311 
1 1 1   20    4   14 f  242.759   13.177  744.692   79.581  689.766  101.884  830.642  127.450  232.489   17.682  254.442   20.225 -21.95357 26.86460 
1 1 1   20    4   15 o  183.057   11.502  423.046   52.312  376.163   77.491  462.303   70.908  171.058   18.432  190.683   15.013 -19.62451 23.77217 
1 1 1   20    4   16 o  102.069   13.241  133.506   32.955  118.981   52.017  143.245   42.593   94.450   22.395  105.022   16.808 -10.57134 28.00033 
1 1 1   20    4   17 o  144.001   11.480  262.582   40.937  220.807   62.748  293.539   54.016  130.039   19.961  151.720   14.431 -21.68080 24.63082 
1 1 1   20    4   18 o  143.831   11.534  262.149   41.079  218.418   63.518  293.591   53.859  129.099   20.379  151.677   14.392 -22.57834 24.94847 
1 1 1   20    4   19 o  269.915   11.664  918.348   78.619  827.749  116.442  994.249  106.580  253.819   18.498  279.490   15.329 -25.67067 24.02448 
1 1 1   20    4   20 o  144.548   11.395  265.102   40.799  214.481   63.897  299.946   53.013  127.455   20.793  153.216   14.011 -25.76078 25.07269 
1 1 1   20    4   21 o  283.290   12.009  1014.61   84.957  880.720  125.884  1126.60  115.130  260.663   19.480  296.878   15.584 -36.21500 24.94669 
1 1 1   20    4   22 o  225.033   11.352  641.804   63.587  518.632   96.852  735.120   84.301  199.194   19.730  239.922   14.133 -40.72830 24.26984 
1 1 1   20    4   23 o   74.965   15.939   74.701   28.920  -6.6610   48.508  119.571   36.023   48.301   21.135   95.434   15.659 -47.13286 26.30357 
1 1 1   20    4   24 o   67.560   16.204   61.107   26.985   90.225   45.947   45.775   33.341   81.189   22.079   59.831   19.467 21.35806 29.43571 
1 1 1   20    4   25 o  136.961   14.042  242.995   47.347  207.646   63.270  287.982   71.377  123.660   21.255  146.681   20.008 -23.02113 29.19098 
1 1 1   20    4   26 o  127.387   15.344  212.751   47.829  154.277   65.436  279.828   70.084  104.122   25.394  144.132   20.012 -40.01036 32.33163 
1 1 1   20    4   27 o  157.667   11.407  318.914   44.608  279.089   70.555  345.433   57.575  143.390   20.269  162.913   14.297 -19.52344 24.80392 
1 1 1   20    4   28 o  102.676   13.016  137.751   32.625   59.134   49.834  196.720   43.159   67.608   23.787  122.420   14.393 -54.81208 27.80237 
1 1 1   20    4   29 o   83.565   15.156   93.687   30.462   40.618   44.454  140.663   41.824   59.404   22.230  102.048   17.011 -42.64415 27.99176 
1 1 1   20    4   30 o   57.374   17.495   44.495   27.342   28.212   37.887   62.194   39.498   52.570   20.318   67.037   21.127 -14.46632 29.31174 
1 1 1   20    4   31 o   71.622   16.667   70.861   29.250   80.651   39.408   58.851   43.649   75.244   20.442   65.620   22.298 9.623520 30.25007 
1 1 1   20    4   32 o   50.474   17.179   32.891   25.909   21.365   32.464   53.110   42.998   47.431   18.670   62.791   22.095 -15.35949 28.92687 
1 1 1   20    5    0 o  720.784   22.793  6640.67  410.264  6592.72  580.601  6688.50  579.801  709.458   32.772  714.892   32.478 -5.433533 46.13898 
1 1 1   20    5    1 o  163.078   10.337  334.994   41.877  342.208   60.427  328.328   58.087  164.067   14.912  160.732   14.632 3.334152 20.89169 
1 1 1   20    5    2 o  268.098   17.163  913.059  114.299  699.799  169.565  1090.65  154.737  230.284   30.216  291.790   21.385 -61.50542 37.01761 
1 1 1   20    5    3 o  135.546   15.090  234.557   50.211  281.019   93.084  215.491   59.630  145.617   26.578  128.981   19.090 16.63588 32.72316 
1 1 1   20    5    4 o  211.518   15.078  567.206   79.122  584.286  125.626  555.976  101.865  212.254   24.130  208.258   19.827 3.996368 31.23080 
1 1 1   20    5    5 o  431.699   21.202  2375.08  228.565  2389.53  329.993  2361.75  316.885  427.043   31.159  425.248   30.034 1.794617 43.27751 
1 1 1   20    5    6 o  227.565   14.204  655.090   80.314  424.823  146.708  753.630   95.972  177.047   34.423  243.770   15.852 -66.72278 37.89713 
1 1 1   20    5    7 o  274.839   11.240  948.683   77.145  1026.16  111.073  876.481  107.227  284.637   15.687  262.812   16.421 21.82535 22.70955 
1 1 1   20    5    8 o  308.078   12.160  1193.28   93.549  1144.47  133.581  1240.26  131.051  299.996   17.913  312.661   16.847 -12.66589 24.59048 
1 1 1   20    5    9 o  203.492   10.748  521.288   54.425  426.001   78.512  609.437   75.514  182.608   17.429  219.511   13.847 -36.90280 22.25986 
1 1 1   20    5   10 o  195.923   10.853  483.442   52.893  448.920   76.869  514.486   72.894  187.682   16.571  201.454   14.589 -13.77214 22.07804 
1 1 1   20    5   11 o  587.045   18.330  4373.26  268.717  4163.18  380.985  4581.23  379.069  567.543   26.882  596.406   25.452 -28.86316 37.01957 
1 1 1   20    5   12 o  226.681   11.330  645.660   64.137  553.090   92.964  729.746   88.601  208.046   18.073  240.002   14.856 -31.95534 23.39581 
1 1 1   20    5   13 o  361.829   14.657  1652.43  132.436  2008.06  243.053  1502.26  157.943  394.227   24.816  343.438   18.484 50.78973 30.94326 
1 1 1   20    5   14 o  223.672   13.660  632.986   75.930  539.705  146.136  667.481   88.867  201.388   29.972  229.254   15.616 -27.86610 33.79620 
1 1 1   20    5   15 o  250.420   16.598  797.823  103.207  801.851  164.993  795.234  132.282  247.288   27.166  248.451   21.534 -1.162949 34.66579 
1 1 1   20    5   16 o  213.531   16.301  580.875   86.262  550.001  143.539  598.328  107.925  203.416   29.086  215.578   20.286 -12.16139 35.46136 
1 1 1   20    5   17 o   87.807   19.910  102.246   42.652  120.217  106.916   98.845   46.514   99.053   34.843   86.160   21.646 12.89294 41.01896 
1 1 1   20    5   18 o  172.993   13.215  379.819   56.657  299.886   75.169  484.957   86.210  151.806   20.340  194.372   17.964 -42.56604 27.13762 
1 1 1   20    5   19 o  236.801   11.478  706.299   67.872  646.714  101.069  755.242   91.600  224.435   18.190  243.641   15.130 -19.20552 23.65997 
1 1 1   20    5   20 o  322.779   12.859  1316.59  103.650  1142.51  150.902  1472.08  142.614  297.346   20.447  339.873   16.803 -42.52762 26.46568 
1 1 1   20    5   21 o  129.449   11.713  213.232   37.452  143.769   59.682  258.355   48.102  103.058   23.687  142.130   13.724 -39.07196 27.37520 
1 1 1   20    5   22 o  179.561   14.508  412.808   64.498   0.0000   0.0000  412.808   64.498  ?   ?   179.561   14.508 0.000000 14.50815 
1 1 1   20    5   23 o   64.544   22.333   50.590   43.839   50.590   43.839   0.0000   0.0000   64.544   22.333  ?   ?  0.000000 22.33292 
1 1 1   20    5   24 o   52.587   16.932   34.973   25.265   21.052   43.394   42.112   31.076   53.482   21.412   57.659   18.796 -4.177719 28.49124 
1 1 1   20    5   25 o   78.463   14.732   81.422   27.805   82.672   47.015   80.749   34.482   77.816   22.755   77.302   18.170 0.5135880 29.11936 
1 1 1   20    5   26 o  150.023   11.237  287.746   41.791  223.781   66.489  329.519   53.732  128.175   21.537  159.764   13.597 -31.58922 25.46992 
1 1 1   20    5   27 o  138.042   11.545  244.675   39.432  186.519   62.741  282.644   50.695  115.955   22.479  147.548   13.924 -31.59239 26.44200 
1 1 1   20    5   28 o  101.070   16.938  137.105   41.237  122.852   54.732  155.818   62.714   92.983   23.547  104.461   24.470 -11.47800 33.95953 
1 1 1   20    5   29 o  115.129   15.895  176.271   44.479  143.236   57.827  224.130   69.602  100.163   23.521  126.320   22.908 -26.15742 32.83321 
1 1 1   20    5   30 o   45.838   16.915   23.119   25.564   10.533   35.683   36.391   36.642   45.595   18.966   55.516   20.288 -9.921566 27.77250 
1 1 1   20    5   31 o  167.770   11.142  362.938   46.415  291.355   68.323  424.286   63.250  145.732   19.245  179.721   14.209 -33.98831 23.92220 
1 1 1   20    5   32 o   75.499   16.053   78.311   29.334   73.519   39.220   84.395   44.193   71.773   20.725   76.376   21.984 -4.602547 30.21265 
1 1 1   20    5   33 o   75.130   16.720   78.627   30.561  107.795   39.663   36.003   47.947   87.273   18.758   57.592   22.683 29.68045 29.43443 
1 1 1   20    6    0 o  460.867   16.100  2683.65  185.291  2508.26  261.901  2859.43  262.181  441.872   23.823  473.217   22.187 -31.34497 32.55432 
1 1 1   20    6    1 o  179.042   14.509  406.689   64.310  445.116  106.478  384.621   80.690  185.090   23.572  173.101   18.978 11.98851 30.26213 
1 1 1   20    6    2 o  127.350   14.991  207.314   46.761  230.303   86.702  197.884   55.529  131.319   27.329  123.614   18.562 7.705032 33.03650 
1 1 1   20    6    3 o  130.024   14.760  215.856   47.077  293.589   89.712  186.316   55.303  149.387   24.927  119.738   19.140 29.64966 31.42744 
1 1 1   20    6    4 o  110.111   11.592  153.975   31.396  194.867   47.549  122.367   41.804  123.247   15.814   96.795   17.956 26.45160 23.92712 
1 1 1   20    6    5 o  215.513   10.506  582.873   56.541  570.402   81.243  594.588   78.738  212.028   15.450  216.673   14.638 -4.645142 21.28353 
1 1 1   20    6    6 o  340.296   12.863  1456.97  109.310  1356.74  155.298  1555.38  153.889  326.348   19.140  349.999   17.664 -23.65054 26.04526 
1 1 1   20    6    7 o  155.129   10.445  303.345   40.225  284.409   58.308  320.542   55.565  149.237   15.890  158.875   14.154 -9.637878 21.27971 
1 1 1   20    6    8 o  169.000   10.051  359.546   42.227  313.207   61.340  401.287   58.217  156.681   15.898  178.074   13.186 -21.39311 20.65422 
1 1 1   20    6    9 o  443.116   14.700  2476.65  162.661  2339.12  231.066  2611.76  229.022  427.582   21.712  452.996   20.246 -25.41422 29.68647 
1 1 1   20    6   10 o  423.511   14.427  2261.72  152.581  2123.58  216.789  2397.33  214.790  407.463   21.380  434.137   19.812 -26.67422 29.14881 
1 1 1   20    6   11 o  299.103   11.737  1124.46   87.666  1155.76  126.107  1095.19  121.954  301.744   16.803  293.738   16.695 8.006073 23.68645 
1 1 1   20    6   12 o  261.437   11.015  858.488   71.913  889.336  104.063  830.290   99.491  264.809   15.809  255.877   15.646 8.931580 22.24199 
1 1 1   20    6   13 o  157.193   11.191  311.996   43.644  291.409   64.672  329.212   59.143  150.652   17.518  160.823   14.896 -10.17125 22.99450 
1 1 1   20    6   14 o  167.707   10.954  354.808   45.621  347.544   67.430  360.940   61.952  164.880   16.603  168.436   14.882 -3.555267 22.29649 
1 1 1   20    6   15 o  126.341   11.607  202.366   36.211  221.803   55.549  188.003   47.750  131.157   17.389  120.839   16.235 10.31738 23.78970 
1 1 1   20    6   16 o  155.752   11.024  306.382   42.600  303.192   64.230  308.887   56.922  153.733   17.016  155.682   14.820 -1.949310 22.56538 
1 1 1   20    6   17 o  135.307   11.757  232.075   39.330  159.264   60.655  284.901   51.664  109.404   22.935  149.598   13.992 -40.19368 26.86584 
1 1 1   20    6   18 o  302.724   14.726  1159.05  111.319  1030.37  209.850  1209.44  131.318  278.135   30.727  308.088   17.136 -29.95251 35.18226 
1 1 1   20    6   19 o  230.434   17.308  679.268   98.871  529.473  161.716  768.683  124.943  196.465   34.205  243.996   20.701 -47.53091 39.98153 
1 1 1   20    6   20 o  262.443   18.356  884.088  119.540  647.687  188.306  1043.66  154.711  215.980   36.195  283.608   22.018 -67.62740 42.36539 
1 1 1   20    6   21 o  142.036   17.173  261.068   59.675  375.581  132.406  231.878   66.849  164.099   33.446  132.628   20.874 31.47110 39.42523 
1 1 1   20    6   22 o  293.076   12.036  1085.81   88.087  951.026  130.518  1198.56  119.373  271.002   19.415  306.240   15.662 -35.23810 24.94472 
1 1 1   20    6   23 o  108.031   12.439  149.748   32.945  138.747   53.517  156.461   41.806  101.352   21.793  109.612   15.723 -8.259911 26.87271 
1 1 1   20    6   24 o   92.702   13.167  111.360   29.624   63.418   48.597  139.710   37.370   70.494   23.530  103.566   14.877 -33.07211 27.83831 
1 1 1   20    6   25 o   65.664   15.969   57.650   25.933   35.159   43.824   69.771   32.171   58.377   22.026   71.973   17.958 -13.59568 28.41869 
1 1 1   20    6   26 o  121.333   11.798  189.004   35.295  121.639   57.560  229.596   44.681   93.222   24.430  133.268   13.617 -40.04516 27.96904 
1 1 1   20    6   27 o  147.229   11.114  277.269   40.560  259.796   65.092  288.360   51.858  139.253   19.232  149.102   14.095 -9.848984 23.84394 
1 1 1   20    6   28 o  216.180   11.264  597.567   60.599  518.219   93.606  654.815   79.509  196.848   19.290  224.772   14.239 -27.92354 23.97607 
1 1 1   20    6   29 f   72.293   16.205   70.852   28.530   24.973   44.746  102.281   37.035   54.434   21.761   86.669   17.710 -32.23475 28.05677 
1 1 1   20    6   30 o  112.686   16.292  169.721   44.514  142.414   56.517  214.337   72.242   99.931   23.109  122.343   24.500 -22.41273 33.67923 
1 1 1   20    6   31 o  139.196   14.821  255.862   50.724  200.122   63.151  357.200   85.151  119.091   22.047  160.013   21.884 -40.92186 31.06376 
1 1 1   20    6   32 o   47.035   16.981   25.950   25.557   32.051   33.835   17.844   38.999   52.557   19.447   49.212   20.082 3.345139 27.95499 
1 1 1   20    6   33 o   42.973   16.366   18.962   24.340   17.899   29.991   21.013   41.662   45.073   17.880   51.011   20.779 -5.938351 27.41310 
1 1 1   20    7    0 o  135.216   11.204  231.168   37.492  200.362   53.782  260.289   52.291  124.561   17.796  142.900   14.871 -18.33981 23.19214 
1 1 1   20    7    1 o  448.753   22.061  2571.28  247.219  2487.82  355.211  2649.68  344.284  434.462   32.987  449.920   30.829 -15.45801 45.15021 
1 1 1   20    7    2 f  247.777   16.492  779.510  101.459  607.193  151.858  918.450  136.360  214.641   29.081  267.869   20.542 -53.22833 35.60399 
1 1 1   20    7    3 o  300.146   13.536  1134.38  101.456  1165.90  182.118  1120.19  122.170  300.520   24.480  297.209   16.526 3.310608 29.53651 
1 1 1   20    7    4 o  313.154   11.964  1232.56   93.558  1210.47  133.053  1254.17  131.581  308.754   17.327  314.446   16.818 -5.691986 24.14666 
1 1 1   20    7    5 f  460.285   15.361  2674.27  176.559  2574.01  250.250  2773.64  249.138  448.877   22.325  466.391   21.391 -17.51349 30.91936 
1 1 1   20    7    6 o  193.859   10.414  472.947   50.229  470.547   72.297  475.186   69.835  192.525   15.161  193.602   14.551 -1.076981 21.01381 
1 1 1   20    7    7 o  112.857   11.280  161.541   31.365  129.033   45.963  189.870   42.907   99.183   19.252  121.911   14.370 -22.72855 24.02354 
1 1 1   20    7    8 f  257.062   10.149  829.065   65.150  909.699   94.269  755.337   90.141  268.309   14.119  244.261   14.849 24.04825 20.48980 
1 1 1   20    7    9 o  402.592   13.443  2040.99  135.153  2019.13  192.310  2062.34  189.982  398.637   19.319  403.038   18.876 -4.401245 27.00957 
1 1 1   20    7   10 o  330.055   12.182  1369.79  100.406  1323.99  143.614  1413.58  140.430  322.710   17.891  333.796   16.902 -11.08630 24.61265 
1 1 1   20    7   11 o  114.451   11.516  166.228   32.466  178.622   48.686  156.304   43.566  117.613   17.076  110.029   16.353 7.584259 23.64335 
1 1 1   20    7   12 o   93.732   12.979  112.649   29.564   70.232   44.221  146.928   39.754   73.726   22.198  106.814   15.345 -33.08792 26.98520 
1 1 1   20    7   13 o  107.108   12.463  146.249   32.711  104.885   49.536  178.232   43.558   88.856   22.347  117.872   15.149 -29.01604 26.99740 
1 1 1   20    7   14 o   88.916   13.634  101.882   29.307   66.244   44.561  129.045   38.905   72.022   22.399   99.781   16.167 -27.75851 27.62378 
1 1 1   20    7   15 o  179.822   10.929  407.715   48.844  367.653   71.965  441.933   66.508  169.458   17.247  186.598   14.384 -17.14001 22.45775 
1 1 1   20    7   16 o  188.926   10.607  449.724   49.840  423.046   74.577  471.257   66.999  182.017   16.590  192.774   14.014 -10.75716 21.71650 
1 1 1   20    7   17 o  114.456   12.331  166.806   34.688  178.250   54.197  158.865   45.146  116.848   19.244  110.730   16.859 6.117935 25.58426 
1 1 1   20    7   18 o  334.615   13.080  1411.93  109.300  1335.04  157.868  1482.72  151.477  322.817   19.677  341.016   17.850 -18.19913 26.56709 
1 1 1   20    7   19 o  121.714   11.831  188.283   35.504  174.968   56.145  197.155   45.830  115.359   20.227  123.906   15.126 -8.546280 25.25750 
1 1 1   20    7   20 o  143.530   11.436  261.068   40.648  163.327   63.156  330.188   53.110  110.381   23.626  161.136   13.318 -50.75450 27.12110 
1 1 1   20    7   21 o  156.952   14.485  314.828   56.132   0.0000   0.0000  314.828   56.132  ?   ?   156.952   14.485 0.000000 14.48523 
1 1 1   20    7   22 o  336.387   30.632  1530.47  254.492  1530.47  254.492   0.0000   0.0000  336.387   30.632  ?   ?  0.000000 30.63157 
1 1 1   20    7   23 o  121.712   18.792  194.903   55.276   87.975  127.293  219.751   61.363   93.404   36.905  129.098   19.655 -35.69415 41.81271 
1 1 1   20    7   24 o   80.835   20.771   88.337   42.155  184.049  123.450   75.703   44.851  113.523   37.484   75.234   22.288 38.28857 43.61017 
1 1 1   20    7   25 o   78.042   15.184   80.557   28.526   66.017   47.587   88.712   35.638   71.240   23.261   81.290   18.028 -10.05003 29.42934 
1 1 1   20    7   26 o   94.162   13.069  115.166   29.901   65.314   50.020  142.886   37.300   71.056   23.871  104.584   14.687 -33.52805 28.02736 
1 1 1   20    7   27 o  112.374   11.834  162.551   32.709   89.682   53.075  207.174   41.534   80.550   24.334  126.531   13.346 -45.98116 27.75322 
1 1 1   20    7   28 o  127.664   11.781  209.693   37.134  133.822   59.589  257.862   47.480   97.114   24.557  141.002   13.656 -43.88848 28.09813 
1 1 1   20    7   29 o   48.598   16.759   28.726   24.676   6.4769   39.483   42.986   31.610   46.526   19.689   57.616   18.965 -11.08957 27.33726 
1 1 1   20    7   30 o  190.038   10.876  462.432   51.401  340.482   79.303  550.782   67.499  157.901   20.603  206.284   13.172 -48.38321 24.45366 
1 1 1   20    7   31 o   83.451   14.871   93.260   29.853   81.836   44.102  102.922   40.558   76.111   21.977   86.044   19.346 -9.932098 29.27876 
1 1 1   20    7   32 o   51.304   18.584   31.171   30.648   19.914   34.413   74.330   67.384   48.104   19.131   74.418   27.463 -26.31364 33.46931 
1 1 1   20    7   33 o  106.838   16.079  154.417   41.568  104.019   47.003  335.286   89.044   84.693   22.020  151.904   24.292 -67.21137 32.78695 
1 1 1   20    7   34 o  166.988   11.911  363.645   49.343  311.065   70.055  415.410   69.510  149.438   19.218  175.600   16.028 -26.16190 25.02485 
1 1 1   20    8    0 o  158.488   10.670  316.721   41.983  282.995   59.795  349.511   58.961  148.744   16.369  165.895   14.374 -17.15048 21.78471 
1 1 1   20    8    1 o  102.429   15.727  135.485   38.942  150.327   78.449  130.632   44.859  105.903   28.871   99.923   18.664 5.980347 34.37865 
1 1 1   20    8    2 o  673.562   29.867  5902.25  502.366  6460.99  716.472  5361.90  704.583  690.664   41.738  624.448   45.497 66.21613 61.74141 
1 1 1   20    8    3 o  273.697   10.800  940.438   73.812  962.997  104.955  918.362  103.826  275.796   15.299  269.258   15.507 6.538086 21.78385 
1 1 1   20    8    4 o  173.442   9.8519  378.513   42.494  400.525   61.254  358.091   59.001  177.771   13.909  167.977   14.199 9.794434 19.87625 
1 1 1   20    8    5 o  399.691   14.070  2013.17  140.435  1967.94  199.150  2057.91  198.066  392.704   20.378  402.332   19.714 -9.627563 28.35311 
1 1 1   20    8    6 o  151.638   10.294  289.839   38.751  287.556   56.338  291.890   53.385  150.197   15.231  151.522   14.277 -1.325134 20.87667 
1 1 1   20    8    7 o  171.012   9.9584  368.081   42.343  381.292   61.609  356.255   58.293  173.335   14.363  167.565   14.061 5.769226 20.09982 
1 1 1   20    8    8 o  200.702   10.575  506.980   52.811  452.242   76.149  557.705   73.305  188.452   16.343  209.910   14.066 -21.45795 21.56274 
1 1 1   20    8    9 o  182.260   10.420  418.244   47.229  392.861   68.444  441.316   65.253  175.667   15.771  186.607   14.107 -10.94054 21.15953 
1 1 1   20    8   10 o  126.425   11.139  202.278   34.808  179.794   51.149  221.670   47.504  117.815   17.953  131.775   14.686 -13.96025 23.19452 
1 1 1   20    8   11 o  142.255   10.857  255.564   38.277  226.302   56.230  280.831   52.252  132.579   17.405  148.583   14.258 -16.00452 22.49891 
1 1 1   20    8   12 o  113.212   11.693  162.781   32.580  147.212   48.450  175.632   44.019  106.131   18.978  116.944   15.452 -10.81258 24.47248 
1 1 1   20    8   13 o  223.160   11.017  625.540   61.393  566.989   88.619  679.573   85.131  210.945   16.967  231.587   14.798 -20.64120 22.51316 
1 1 1   20    8   14 o  243.110   10.842  742.328   65.820  698.224   95.263  782.616   91.047  234.345   16.382  248.579   14.733 -14.23428 22.03235 
1 1 1   20    8   15 o  140.915   11.537  251.270   40.241  146.572   59.218  341.094   54.851  104.944   23.212  163.970   13.516 -59.02618 26.86083 
1 1 1   20    8   16 o  141.108   11.525  251.990   40.257  211.313   60.214  284.866   54.133  127.431   19.546  149.501   14.690 -22.06966 24.45075 
1 1 1   20    8   17 o  112.160   12.363  160.253   34.052  123.668   52.797  186.310   44.558   96.359   22.371  120.491   15.143 -24.13190 27.01476 
1 1 1   20    8   18 o  175.003   11.057  386.566   48.073  357.644   72.286  409.502   64.372  166.897   17.610  179.464   14.487 -12.56770 22.80353 
1 1 1   20    8   19 o  268.310   11.559  906.122   77.448  902.662  114.176  909.071  105.404  265.955   17.285  267.357   15.858 -1.401489 23.45799 
1 1 1   20    8   20 o  188.645   11.075  449.371   51.943  415.449   79.037  475.162   68.917  179.736   17.845  193.275   14.382 -13.53899 22.91922 
1 1 1   20    8   21 o  144.683   11.552  265.463   41.390  206.807   65.841  303.790   53.221  124.949   21.900  154.320   13.962 -29.37108 25.97172 
1 1 1   20    8   22 o  205.846   10.944  535.483   56.055  461.152   85.235  592.133   74.410  188.910   18.297  215.722   13.887 -26.81261 22.97036 
1 1 1   20    8   23 o   82.059   14.428   87.986   28.487   35.702   47.169  118.003   35.741   60.237   22.821   95.049   15.599 -34.81221 27.64307 
1 1 1   20    8   24 o  137.145   11.115  239.177   37.740  199.887   61.387  263.051   47.851  122.470   20.817  143.269   13.535 -20.79822 24.83051 
1 1 1   20    8   25 o  176.392   12.886  397.548   56.366  488.960  149.579  382.418   60.852  184.802   33.652  172.547   14.250 12.25490 36.54517 
1 1 1   20    8   26 o  107.207   19.458  154.219   50.173  132.168  131.952  157.946   54.248  100.757   38.170  108.014   20.867 -7.256554 43.50171 
1 1 1   20    8   27 o   32.180   14.567 -12.8681   25.139  -2.1124   39.964 -19.9112   32.339   44.690   19.374   35.523   16.251 9.167236 25.28675 
1 1 1   20    8   28 o   88.897   13.602  103.599   29.234  100.940   48.978  105.070   36.437   85.074   22.652   88.420   17.121 -3.346123 28.39402 
1 1 1   20    8   29 o   95.832   13.156  120.002   30.653   58.699   49.593  157.900   38.994   67.756   23.736  109.641   14.605 -41.88503 27.86949 
1 1 1   20    8   30 o   51.626   16.964   34.072   25.295  -5.5978   39.459   61.748   32.959   43.134   18.963   67.138   18.873 -24.00391 26.75399 
1 1 1   20    8   31 o  132.395   11.785  226.461   38.556  234.546   59.782  220.702   50.450  131.554   18.726  128.899   16.019 2.655029 24.64276 
1 1 1   20    8   32 o   80.443   15.002   87.065   29.028   94.170   41.903   80.510   40.251   81.691   20.557   75.563   20.714 6.128044 29.18355 
1 1 1   20    8   33 o  115.232   12.342  173.529   34.963  157.462   49.932  188.984   48.972  106.298   19.530  118.016   17.117 -11.71821 25.96938 
1 1 1   20    8   34 o   47.035   16.513   27.249   24.008   25.106   30.231   30.908   39.503   48.165   18.264   53.638   20.743 -5.472916 27.63770 
1 1 1   20    9    0 o  177.488   9.2020  395.988   40.645  466.440   58.514  330.302   56.501  192.202   12.255  161.262   14.174 30.94006 18.73777 
1 1 1   20    9    1 o  123.521   15.082  195.342   45.554  199.206   85.867  193.828   53.740  121.606   28.732  122.372   18.135 -0.7654877 33.97683 
1 1 1   20    9    2 o  245.481   15.832  764.463   96.537  708.023  146.329  807.958  128.457  233.266   25.538  251.031   20.676 -17.76563 32.85822 
1 1 1   20    9    3 o  452.434   13.988  2579.63  158.042  2677.91  223.790  2481.84  223.223  458.968   19.526  441.551   20.245 17.41705 28.12642 
1 1 1   20    9    4 o  136.003   10.392  233.468   35.026  239.855   50.754  227.661   48.399  137.062   15.078  133.554   14.759 3.508362 21.09890 
1 1 1   20    9    5 o  334.909   12.052  1410.12  100.796  1432.97  143.040  1387.59  142.060  336.031   17.103  330.602   17.267 5.428772 24.30357 
1 1 1   20    9    6 o  542.723   16.312  3724.12  221.066  3782.56  313.147  3666.05  312.125  543.588   23.069  534.980   23.364 8.607117 32.83347 
1 1 1   20    9    7 o  135.353   10.804  231.456   36.215  182.174   52.766  275.342   49.794  118.507   18.429  147.226   13.701 -28.71916 22.96423 
1 1 1   20    9    8 o  157.059   10.237  310.827   39.932  318.907   58.045  303.567   55.021  158.313   14.856  154.510   14.427 3.803543 20.70841 
1 1 1   20    9    9 o  285.760   11.680  1026.23   83.349  982.128  118.948  1068.78  116.827  277.988   17.220  290.328   16.178 -12.34030 23.62736 
1 1 1   20    9   10 o  319.545   12.260  1284.14   97.831  1262.66  139.838  1304.73  136.916  315.119   17.844  320.556   17.166 -5.437012 24.76059 
1 1 1   20    9   11 o  152.294   10.343  292.414   39.103  266.046   57.045  315.786   53.706  144.204   16.117  157.725   13.774 -13.52051 21.20066 
1 1 1   20    9   12 o   98.219   12.668  123.361   30.347   62.399   45.236  173.249   40.922   70.543   22.650  116.349   14.392 -45.80600 26.83539 
1 1 1   20    9   13 o  122.613   11.433  190.537   34.603  156.905   51.396  218.422   46.799  109.516   19.508  130.791   14.577 -21.27460 24.35281 
1 1 1   20    9   14 o  195.501   10.229  481.033   49.766  499.998   73.061  464.617   67.973  198.475   14.849  191.394   14.326 7.080246 20.63273 
1 1 1   20    9   15 o  377.866   13.280  1798.97  125.307  1715.96  178.697  1879.28  175.761  366.618   19.590  384.655   18.298 -18.03644 26.80614 
1 1 1   20    9   16 o  208.141   11.578  546.396   59.943  426.136   87.126  654.488   82.600  181.958   19.477  227.216   14.636 -45.25812 24.36298 
1 1 1   20    9   17 o  106.490   12.518  144.706   32.652  118.824   50.481  163.325   42.815   94.523   21.827  112.592   15.651 -18.06919 26.85878 
1 1 1   20    9   18 o  154.119   11.359  300.317   43.408  251.400   65.474  338.681   57.983  139.186   19.362  163.137   14.380 -23.95062 24.11769 
1 1 1   20    9   19 o  185.766   10.956  435.424   50.598  458.850   76.665  417.344   67.350  189.530   16.358  181.016   15.035 8.514664 22.21855 
1 1 1   20    9   20 o  156.809   14.948  314.056   57.823   0.0000   0.0000  314.056   57.823  ?   ?   156.809   14.948 0.000000 14.94751 
1 1 1   20    9   21 o  122.402   18.979  195.831   56.134  195.831   56.134   0.0000   0.0000  122.402   18.979  ?   ?  0.000000 18.97909 
1 1 1   20    9   22 o  131.907   11.785  221.217   38.411  162.048   60.748  260.630   49.580  109.899   22.879  142.748   14.093 -32.84900 26.87126 
1 1 1   20    9   23 o  202.743   11.026  519.956   55.612  485.232   85.359  545.566   73.305  193.808   17.837  206.800   14.282 -12.99161 22.85073 
1 1 1   20    9   24 o   62.552   16.219   51.906   25.547   61.599   44.239   47.056   31.292   69.280   22.415   60.413   18.767 8.867737 29.23409 
1 1 1   20    9   25 o  264.807   11.575  887.884   76.539  738.041  114.591  1008.58  102.845  237.731   19.473  280.672   14.725 -42.94112 24.41384 
1 1 1   20    9   26 o  144.362   10.997  265.391   39.346  206.622   63.146  302.689   50.306  123.933   21.163  153.581   13.246 -29.64828 24.96721 
1 1 1   20    9   27 o   46.639   16.367   25.280   23.587  -0.5095   43.715   35.872   28.014   47.148   20.351   53.617   17.864 -6.468952 27.07879 
1 1 1   20    9   28 o  184.441   13.070  437.497   59.808  604.165  165.956  412.620   64.117  201.778   34.154  178.492   14.510 23.28665 37.10900 
1 1 1   20    9   29 o   47.631   19.023   17.441   34.159 -87.4228  136.854   24.408   35.275   67.579   31.760   50.744   19.607 16.83519 37.32506 
1 1 1   20    9   30 o   63.869   18.140   55.419   30.288   30.576   43.601   78.587   42.106   55.973   21.751   75.209   21.398 -19.23628 30.51195 
1 1 1   20    9   31 o   48.323   16.706   28.464   24.528  -2.7174   38.127   50.481   32.038   43.107   18.803   61.273   18.982 -18.16537 26.71836 
1 1 1   20    9   32 o   74.351   15.486   74.815   27.819   50.287   40.965   95.808   37.899   62.296   21.587   83.193   18.698 -20.89780 28.55849 
1 1 1   20    9   33 o  113.345   12.556  167.936   34.941  137.391   50.997  194.963   47.969   98.376   21.370  120.450   16.372 -22.07425 26.92086 
1 1 1   20    9   34 o  112.015   12.510  164.591   34.396  140.962   47.712  190.160   49.631  100.081   19.792  118.048   17.354 -17.96783 26.32292 
1 1 1   20    9   35 o   81.049   14.824   89.314   28.897   82.088   37.611   99.724   45.146   75.659   19.710   82.573   21.634 -6.913528 29.26637 
1 1 1   20   10    0 o  318.374   12.743  1275.75  101.308  1331.33  143.595  1220.67  142.950  323.534   17.842  309.516   18.581 14.01773 25.76035 
1 1 1   20   10    1 o  449.499   21.253  2578.65  238.559  2751.21  344.205  2419.15  330.932  458.379   30.241  429.151   31.091 29.22708 43.37197 
1 1 1   20   10    2 o  398.179   19.081  2014.74  189.733  2231.67  276.250  1821.04  261.041  414.789   26.814  373.799   28.172 40.99030 38.89278 
1 1 1   20   10    3 o  248.343   10.742  774.373   66.617  776.600   94.235  772.147   94.188  247.532   15.320  246.811   15.358 0.7212067 21.69298 
1 1 1   20   10    4 o  107.480   11.094  146.610   29.347  135.700   42.508  156.546   40.567  102.169   17.277  110.374   15.115 -8.204582 22.95564 
1 1 1   20   10    5 f  260.056   10.409  848.824   67.599  898.959   96.129  799.777   95.080  266.595   14.494  251.244   15.226 15.35146 21.02180 
1 1 1   20   10    6 o  262.723   10.638  866.512   69.796  896.858   99.561  837.187   97.872  266.155   15.041  257.053   15.316 9.101532 21.46713 
1 1 1   20   10    7 o  479.423   15.352  2902.38  183.799  2925.75  260.403  2879.17  259.463  478.638   21.787  474.765   21.885 3.872955 30.88052 
1 1 1   20   10    8 o  491.781   14.690  3051.08  180.402  3161.48  256.127  2942.39  254.137  498.135   20.590  480.281   21.190 17.85431 29.54570 
1 1 1   20   10    9 o  324.649   12.324  1325.63   99.914  1306.08  142.132  1344.73  140.483  320.501   17.829  325.376   17.352 -4.875244 24.87944 
1 1 1   20   10   10 o  149.343   10.563  281.362   39.138  247.685   57.115  311.176   53.739  138.926   16.805  156.537   13.892 -17.61087 21.80328 
1 1 1   20   10   11 o   69.801   14.392   63.665   24.252   67.350   37.492   61.014   31.802   71.724   20.117   68.183   18.297 3.540771 27.19321 
1 1 1   20   10   12 o  193.072   10.807  469.556   51.895  396.680   74.665  537.663   72.180  176.161   17.192  206.033   14.114 -29.87195 22.24341 
1 1 1   20   10   13 o  151.470   10.527  289.417   39.570  276.383   58.363  300.505   53.832  146.973   16.169  153.734   14.182 -6.760834 21.50774 
1 1 1   20   10   14 f  143.820   10.935  261.297   38.980  214.971   57.562  300.534   52.974  128.882   18.408  153.776   13.947 -24.89420 23.09492 
1 1 1   20   10   15 o  284.693   10.966  1018.27   77.964  1017.24  112.874  1019.20  107.814  283.124   16.031  283.605   15.280 -0.4806824 22.14624 
1 1 1   20   10   16 o  433.714   14.635  2375.21  158.504  2266.99  225.688  2480.55  222.661  420.468   21.567  440.996   20.219 -20.52765 29.56243 
1 1 1   20   10   17 o  116.318   12.331  172.184   35.271  119.095   53.510  212.973   46.903   94.499   22.912  129.020   14.827 -34.52025 27.29141 
1 1 1   20   10   18 o  126.060   11.949  201.751   37.164  140.395   57.264  246.400   48.849  102.617   22.925  138.980   14.278 -36.36307 27.00748 
1 1 1   20   10   19 o  147.988   11.745  277.356   43.048  187.394   64.878  348.116   57.539  118.897   22.679  165.439   14.061 -46.54259 26.68419 
1 1 1   20   10   20 o  155.923   11.236  307.496   43.455  288.189   66.975  321.533   57.108  149.315   18.348  158.784   14.565 -9.469208 23.42642 
1 1 1   20   10   21 o  142.334   11.174  256.607   39.396  276.177   61.349  242.874   51.391  146.355   17.109  137.604   15.210 8.751266 22.89244 
1 1 1   20   10   22 o  122.952   11.729  192.342   35.576  164.365   56.492  210.729   45.798  111.239   21.109  128.128   14.573 -16.88900 25.65079 
1 1 1   20   10   23 o  177.897   10.995  400.521   48.603  291.465   74.588  481.001   64.075  148.969   20.602  194.446   13.275 -45.47754 24.50842 
1 1 1   20   10   24 o  124.703   11.547  198.131   35.549  141.315   57.207  233.873   45.373  102.098   22.991  135.072   13.639 -32.97361 26.73212 
1 1 1   20   10   25 o  227.511   11.075  654.344   62.922  507.746   95.649  766.186   83.544  196.941   19.714  245.028   13.709 -48.08662 24.01152 
1 1 1   20   10   26 o  126.804   11.223  205.163   35.172  207.880   57.861  203.571   44.295  125.204   19.112  125.451   14.400 -0.2478485 23.92969 
1 1 1   20   10   27 o  102.729   12.016  135.915   30.242  109.480   50.603  150.603   37.719   89.086   22.686  107.529   14.409 -18.44302 26.87511 
1 1 1   20   10   28 o  167.823   10.738  358.836   44.766  325.398   72.238  379.683   57.038  156.556   18.857  171.707   13.409 -15.15128 23.13814 
1 1 1   20   10   29 o  138.946   10.953  247.034   37.695  204.560   61.753  272.258   47.589  122.459   20.947  145.109   13.280 -22.65008 24.80186 
1 1 1   20   10   30 o  168.085   11.149  361.734   46.529  259.474   75.027  425.645   59.313  136.868   22.750  181.523   13.175 -44.65456 26.28959 
1 1 1   20   10   31 o   68.171   21.440   63.287   40.699  145.035  154.775   57.215   42.183  100.551   40.374   65.707   21.922 34.84415 45.94168 
1 1 1   20   10   32 o  155.275   18.782  325.737   71.346  255.172  176.587  339.503   77.995  118.668   44.325  157.597   20.290 -38.92861 48.74822 
1 1 1   20   10   33 o  130.943   11.648  221.986   37.689  172.619   55.720  263.619   51.170  111.056   20.858  141.352   14.712 -30.29636 25.52432 
1 1 1   20   10   34 o  138.436   11.503  248.434   39.405  203.342   57.424  288.562   54.171  120.962   19.688  147.492   14.913 -26.53033 24.69819 
1 1 1   20   10   35 o   76.474   15.111   79.757   27.834   70.444   36.868   92.100   42.445   70.286   20.032   79.820   21.008 -9.534477 29.02797 
1 1 1   20   11    0 o  186.900   10.778  440.151   50.088  426.798   71.239  453.205   70.439  183.091   15.734  188.857   15.061 -5.766098 21.78056 
1 1 1   20   11    1 o  146.163   14.225  271.917   51.263  340.282   93.831  242.829   61.205  161.154   24.053  137.155   18.329 23.99924 30.24006 
1 1 1   20   11    2 o   75.433   17.329   74.927   31.955  172.700   75.720   53.741   35.248  113.375   27.111   64.872   19.879 48.50349 33.61860 
1 1 1   20   11    3 o  481.765   16.080  2935.06  193.449  2848.76  273.224  3021.81  273.933  471.411   23.210  485.857   22.578 -14.44650 32.37981 
1 1 1   20   11    4 o  234.874   10.354  692.435   60.727  684.192   85.829  700.697   85.934  232.366   14.869  235.200   14.705 -2.833969 20.91256 
1 1 1   20   11    5 o  245.719   10.882  758.257   66.770  721.555   94.579  794.724   94.276  238.389   15.980  250.439   15.146 -12.05063 22.01724 
1 1 1   20   11    6 o  229.610   10.334  661.708   59.252  656.463   84.573  666.764   83.037  227.575   14.965  229.450   14.568 -1.875000 20.88490 
1 1 1   20   11    7 o   77.419   13.028   77.473   24.292   62.585   36.027   89.885   32.895   69.289   19.821   82.887   16.473 -13.59801 25.77249 
1 1 1   20   11    8 o  241.269   10.587  730.802   63.788  747.799   90.951  714.347   89.486  242.930   15.067  237.389   15.175 5.540497 21.38418 
1 1 1   20   11    9 o  372.384   13.538  1746.98  125.891  1698.17  178.572  1795.22  177.506  364.845   19.673  375.420   18.996 -10.57544 27.34700 
1 1 1   20   11   10 o  197.799   10.528  492.537   51.816  512.159   74.680  474.320   71.954  200.883   14.995  193.271   15.027 7.611389 21.22875 
1 1 1   20   11   11 o  317.518   12.296  1268.21   97.493  1245.64  138.830  1290.18  136.941  312.914   17.841  318.660   17.273 -5.745758 24.83268 
1 1 1   20   11   12 o  237.850   11.250  710.820   66.820  651.650   95.884  766.686   93.169  226.193   17.102  245.921   15.247 -19.72775 22.91123 
1 1 1   20   11   13 o  213.313   9.9941  571.002   53.237  608.664   77.539  537.416   73.223  219.223   14.241  205.919   14.329 13.30418 20.20218 
1 1 1   20   11   14 o  246.628   11.130  764.268   68.549  724.886   98.650  801.037   95.321  238.708   16.654  251.353   15.259 -12.64484 22.58699 
1 1 1   20   11   15 o  323.238   12.405  1314.99  100.130  1303.16  143.613  1326.19  139.679  319.883   18.052  322.933   17.385 -3.050415 25.06221 
1 1 1   20   11   16 o  345.056   12.512  1498.95  107.809  1488.16  154.717  1509.12  150.309  341.793   18.192  344.440   17.533 -2.647369 25.26602 
1 1 1   20   11   17 o  295.343   11.928  1097.53   87.969  1003.91  126.631  1184.84  122.295  280.495   18.176  305.504   16.087 -25.00891 24.27284 
1 1 1   20   11   18 o  202.693   11.328  518.247   57.108  470.349   83.934  559.533   77.925  191.628   17.741  209.863   14.967 -18.23505 23.21158 
1 1 1   20   11   19 o  389.262   19.665  1939.40  190.534   0.0000   0.0000  1939.40  190.534  ?   ?   389.262   19.665 0.000000 19.66474 
1 1 1   20   11   20 o  210.762   15.937  566.417   83.259  566.417   83.259   0.0000   0.0000  210.762   15.937  ?   ?  0.000000 15.93697 
1 1 1   20   11   21 o   95.925   13.390  118.421   31.201  100.604   49.612  130.079   40.131   86.709   22.660   99.878   16.678 -13.16956 28.13645 
1 1 1   20   11   22 o  133.765   11.285  227.028   37.343  279.569   59.006  191.924   48.231  147.376   16.306  121.807   16.263 25.56903 23.02987 
1 1 1   20   11   23 o  173.249   10.801  379.691   46.497  368.922   72.387  387.255   60.669  169.030   17.398  174.197   14.067 -5.167130 22.37312 
1 1 1   20   11   24 o  188.484   10.613  449.394   49.750  454.539   77.777  445.831   64.724  187.779   16.763  186.853   13.972 0.9258423 21.82217 
1 1 1   20   11   25 o   88.029   13.099  100.426   27.917   84.598   47.185  108.950   34.628   79.244   22.689   91.078   15.798 -11.83407 27.64702 
1 1 1   20   11   26 o  292.844   12.114  1088.17   88.589  922.314  131.654  1225.40  119.757  265.310   20.019  308.792   15.581 -43.48218 25.36759 
1 1 1   20   11   27 o  100.964   12.210  131.404   30.159  121.562   51.115  136.659   37.353   94.111   22.123  102.181   15.093 -8.069496 26.78102 
1 1 1   20   11   28 o  194.634   10.669  481.830   51.655  450.466   81.978  502.483   66.523  185.094   17.962  197.675   13.558 -12.58096 22.50472 
1 1 1   20   11   29 o  207.313   10.793  547.595   55.684  515.683   88.438  568.557   71.676  197.614   18.123  209.965   13.746 -12.35049 22.74661 
1 1 1   20   11   30 o   89.329   13.171  104.497   28.498   88.641   48.383  112.920   35.265   79.657   23.024   92.016   15.924 -12.35921 27.99407 
1 1 1   20   11   31 o  115.880   11.936  173.604   34.047  130.086   54.965  200.697   43.368   95.815   23.216  123.809   14.290 -27.99471 27.26130 
1 1 1   20   11   32 f  130.039   11.615  218.213   37.322  173.697   59.240  247.510   48.059  111.289   22.095  137.497   14.201 -26.20818 26.26575 
1 1 1   20   11   33 o  167.374   13.894  366.172   57.546  354.483  188.919  367.368   60.417  134.540   46.372  167.257   14.612 -32.71747 48.61965 
1 1 1   20   11   34 o   74.701   21.971   79.605   43.717  234.758  179.238   69.791   45.078  111.378   43.861   70.490   22.608 40.88794 49.34437 
1 1 1   20   11   35 o   75.413   22.596   82.474   45.904 -109.3936  186.365   94.867   47.363   72.327   34.833   80.599   22.613 -8.272484 41.52932 
1 1 1   20   12    0 o  148.319   13.681  279.633   50.099  305.847   57.715  199.499  100.910  154.880   15.115  120.987   32.645 33.89310 35.97461 
1 1 1   20   12    1 o   96.371   12.089  118.624   28.452  164.217   40.316   73.386   40.159  113.155   14.609   74.720   20.772 38.43543 25.39468 
1 1 1   20   12    2 o  258.190   14.306  843.539   91.878  1139.73  146.162  650.039  118.138  298.563   19.715  224.638   21.315 73.92462 29.03472 
1 1 1   20   12    3 o  222.234   9.8305  619.677   54.555  648.916   77.391  590.797   76.916  226.484   13.749  215.939   14.345 10.54555 19.87001 
1 1 1   20   12    4 o  201.517   10.946  511.583   54.878  512.550   77.808  510.626   77.411  200.788   15.641  200.420   15.590 0.3683014 22.08395 
1 1 1   20   12    5 o  207.500   11.083  542.421   57.220  475.879   80.850  609.195   80.992  193.133   16.935  219.181   14.886 -26.04839 22.54717 
1 1 1   20   12    6 o   93.570   12.372  112.026   28.199   84.519   40.881  136.995   38.949   79.935   20.409  102.997   15.635 -23.06203 25.70945 
1 1 1   20   12    7 o  117.126   10.926  173.780   31.589  171.977   45.725  175.425   43.690  115.506   16.306  116.883   15.339 -1.377998 22.38694 
1 1 1   20   12    8 o  147.761   10.779  275.621   39.498  276.178   56.823  275.100   54.942  147.016   15.722  146.832   15.204 0.1838989 21.87101 
1 1 1   20   12    9 o  222.895   10.250  623.582   57.052  666.317   81.547  582.610   79.847  229.408   14.306  214.302   15.015 15.10683 20.73933 
1 1 1   20   12   10 o  499.080   15.785  3148.78  196.731  3206.75  278.896  3091.38  277.548  500.587   22.311  491.332   22.621 9.254761 31.77226 
1 1 1   20   12   11 o  191.911   10.555  463.806   50.391  464.915   72.731  462.782   69.881  191.239   15.359  190.924   14.772 0.3152161 21.31019 
1 1 1   20   12   12 o  516.759   16.998  3382.99  219.349  3318.49  310.912  3446.92  309.506  507.872   24.515  517.968   23.929 -10.09555 34.25727 
1 1 1   20   12   13 o  166.138   10.966  348.232   45.240  321.186   65.552  372.828   62.514  158.392   16.831  171.236   14.764 -12.84389 22.38864 
1 1 1   20   12   14 o  196.151   10.619  484.587   51.822  481.098   75.245  487.735   71.474  194.467   15.627  196.016   14.709 -1.549927 21.46033 
1 1 1   20   12   15 o  342.151   13.088  1474.85  111.823  1412.62  159.594  1534.86  156.727  332.593   19.299  347.172   18.141 -14.57904 26.48632 
1 1 1   20   12   16 o  328.737   13.765  1363.00  113.001  1331.95  138.180  1425.67  196.344  323.644   17.159  332.129   23.832 -8.484833 29.36625 
1 1 1   20   12   17 o  115.189   17.395  171.981   48.479  159.540   58.675  198.743   86.057  109.720   22.177  121.137   28.859 -11.41709 36.39654 
1 1 1   20   12   18 o  175.635   15.291  393.071   66.397  335.347   84.076  488.732  108.233  160.487   21.521  193.811   22.799 -33.32404 31.35171 
1 1 1   20   12   19 o  260.482   15.569  862.189  100.812  696.792  133.913  1078.53  153.154  231.432   23.497  289.326   21.349 -57.89420 31.74708 
1 1 1   20   12   20 o  251.259   16.434  804.695  102.547  862.898  138.338  733.702  152.783  258.332   21.644  236.101   26.364 22.23119 34.11005 
1 1 1   20   12   21 o  209.362   15.203  558.456   78.942  518.000  104.947  611.178  119.805  199.644   21.383  216.601   22.477 -16.95737 31.02328 
1 1 1   20   12   22 o   78.218   20.902   81.524   41.606  104.816   51.408   37.295   70.839   88.332   23.058   69.055   27.453 19.27640 35.85172 
1 1 1   20   12   23 o  366.294   18.926  1726.91  172.522  1616.29  240.264  1844.67  247.880  348.342   27.854  373.124   26.782 -24.78104 38.64029 
1 1 1   20   12   24 o   99.632   12.788  127.679   31.081  124.262   51.666  129.617   38.909   95.950   22.028   99.555   16.209 -3.605179 27.34914 
1 1 1   20   12   25 o  110.874   11.937  157.333   32.530  155.340   53.731  158.487   40.871  107.685   20.734  110.462   15.221 -2.777596 25.72090 
1 1 1   20   12   26 o   54.145   16.242   38.122   23.708   33.295   41.233   40.507   28.978   56.981   21.392   56.458   18.128 0.5231667 28.04025 
1 1 1   20   12   27 o  175.088   10.794  389.586   46.965  343.448   74.248  420.360   60.638  161.495   18.760  181.019   13.512 -19.52377 23.11964 
1 1 1   20   12   28 o  117.813   11.470  177.963   33.316  177.964   55.395  177.963   41.702  114.893   20.036  116.882   14.606 -1.989746 24.79494 
1 1 1   20   12   29 o  174.353   10.813  387.601   46.848  363.201   75.569  402.831   59.705  165.440   18.615  176.693   13.637 -11.25266 23.07560 
1 1 1   20   12   30 f  107.318   11.792  148.699   31.080  158.649   53.189  143.541   38.300  107.591   20.546  104.326   15.144 3.264252 25.52403 
1 1 1   20   12   31 o  215.964   11.124  596.477   59.787  487.574   93.453  671.931   77.788  190.236   19.970  227.862   13.735 -37.62563 24.23739 
1 1 1   20   12   32 o  102.570   12.213  136.777   30.666  110.900   49.603  152.786   39.016   88.507   22.418  107.488   14.939 -18.98102 26.93977 
1 1 1   20   12   33 o  133.056   11.399  228.449   37.508  198.616   58.551  249.212   48.847  119.923   20.274  137.722   14.417 -17.79883 24.87741 
1 1 1   20   12   34 o   55.842   16.392   42.217   24.356   49.454   35.134   35.522   33.794   60.757   19.994   54.180   19.531 6.576946 27.95041 
1 1 1   20   12   35 o   94.225   13.314  117.673   30.454  136.466   43.898  100.237   42.284   99.219   18.395   83.859   20.389 15.35952 27.46065 
1 1 1   20   13    0 o  394.867   16.013  1973.73  157.901  1926.85  190.413  2076.95  282.536  388.326   19.700  398.271   28.599 -9.944672 34.72733 
1 1 1   20   13    1 o  140.237   13.333  250.050   46.131  242.063   51.448  282.810  104.197  137.579   15.231  144.726   29.823 -7.146667 33.48681 
1 1 1   20   13    2 o   98.108   30.292  126.674   81.668  126.674   81.668   0.0000   0.0000   98.108   30.292  ?   ?  0.000000 30.29210 
1 1 1   20   13    3 o  168.240   13.093  358.669   54.574  390.568  104.984  346.857   63.884  172.424   25.120  164.896   15.704 7.528946 29.62512 
1 1 1   20   13    4 o  450.637   14.008  2561.37  157.638  2629.28  222.840  2493.33  223.029  454.367   19.640  442.215   20.197 12.15240 28.17125 
1 1 1   20   13    5 o  332.913   12.042  1394.17  100.107  1389.44  141.613  1398.89  141.534  330.645   17.210  331.793   17.141 -1.148560 24.29001 
1 1 1   20   13    6 o   99.786   11.646  126.854   28.474  168.907   42.012   91.126   38.724  114.703   15.029   83.048   19.074 31.65439 24.28368 
1 1 1   20   13    7 o  328.961   12.997  1362.84  106.771  1318.24  150.830  1407.65  151.164  321.488   18.870  332.459   18.278 -10.97107 26.27126 
1 1 1   20   13    8 o  332.272   12.292  1389.14  101.996  1373.59  144.453  1404.60  144.037  328.618   17.668  332.404   17.413 -3.786133 24.80642 
1 1 1   20   13    9 o  193.628   10.482  472.100   50.496  454.649   71.970  489.019   70.866  189.082   15.375  196.322   14.559 -7.239639 21.17450 
1 1 1   20   13   10 o  468.895   16.314  2782.52  191.018  2751.20  270.480  2813.68  269.802  462.381   23.503  468.384   23.067 -6.002380 32.93116 
1 1 1   20   13   11 o  466.395   15.147  2747.95  176.413  2755.93  250.021  2740.03  248.954  464.307   21.564  462.982   21.533 1.325745 30.47387 
1 1 1   20   13   12 o  223.734   11.026  628.926   61.604  563.742   87.724  692.348   86.530  210.307   16.845  233.685   14.906 -23.37779 22.49309 
1 1 1   20   13   13 o  450.644   15.564  2567.58  175.154  2545.94  248.475  2588.95  246.942  445.257   22.419  449.739   21.988 -4.481812 31.40181 
1 1 1   20   13   14 o  194.049   12.646  476.069   60.943  477.561   72.688  472.537  111.816  193.838   15.137  190.296   24.068 3.542130 28.43223 
1 1 1   20   13   15 o  544.634   25.079  3827.86  341.089  3562.53  476.906  4105.72  488.032  514.271   37.391  554.261   35.446 -39.99017 51.52200 
1 1 1   20   13   16 o  367.847   18.320  1720.21  168.287  1527.83  231.024  1937.70  245.635  342.025   27.276  386.382   25.603 -44.35760 37.40960 
1 1 1   20   13   17 o  413.102   20.552  2180.61  212.018  2140.65  294.511  2223.61  305.465  403.575   29.426  410.977   29.971 -7.401123 42.00158 
1 1 1   20   13   18 o  293.124   25.720  1120.76  186.364   0.0000   0.0000  1120.76  186.364  ?   ?   293.124   25.720 0.000000 25.72007 
1 1 1   20   13   19 o  366.268   27.194  1756.79  246.948  1756.79  246.948   0.0000   0.0000  366.268   27.194  ?   ?  0.000000 27.19363 
1 1 1   20   13   20 o  285.555   16.601  1038.96  117.869  966.063  159.044  1127.79  175.562  272.541   23.602  294.372   24.094 -21.83148 33.72766 
1 1 1   20   13   21 o  288.865   16.675  1064.48  119.773  1002.56  163.251  1136.67  176.267  277.272   23.809  295.185   24.123 -17.91315 33.89376 
1 1 1   20   13   22 o   81.132   20.594   87.890   41.797  101.041   51.118   61.361   72.601   86.772   23.159   76.078   28.420 10.69419 36.66130 
1 1 1   20   13   23 o  408.380   20.301  2150.11  207.025  2021.49  288.721  2286.21  297.010  387.864   30.043  413.631   28.937 -25.76724 41.71275 
1 1 1   20   13   24 o  334.103   17.660  1435.22  146.818  1269.02  203.297  1616.40  212.256  308.470   26.654  350.099   24.431 -41.62881 36.15673 
1 1 1   20   13   25 o  132.662   15.659  227.806   50.875  216.956   66.976  242.604   78.221  127.365   21.844  133.884   24.291 -6.519363 32.66824 
1 1 1   20   13   26 o  220.155   15.013  622.441   82.044  555.326  113.257  696.550  119.012  204.352   22.571  230.026   20.948 -25.67447 30.79403 
1 1 1   20   13   27 o  150.197   14.683  291.446   54.365  302.533   74.868  279.079   79.072  150.794   20.406  143.669   22.802 7.124939 30.59954 
1 1 1   20   13   28 o   99.376   16.748  130.998   40.083  148.115   54.648  111.067   58.970  103.998   21.742   89.189   25.305 14.80954 33.36282 
1 1 1   20   13   29 o  223.995   10.924  637.478   61.101  545.806   95.868  700.193   79.294  202.917   19.146  233.251   13.673 -30.33365 23.52667 
1 1 1   20   13   30 o  119.705   11.350  184.144   33.523  188.538   56.943  181.813   41.472  117.787   20.080  117.945   14.378 -0.1574097 24.69674 
1 1 1   20   13   31 o  161.587   10.959  334.216   43.961  270.803   71.184  373.312   55.893  140.888   20.864  169.867   13.282 -28.97847 24.73260 
1 1 1   20   13   32 o  123.398   11.494  196.326   35.012  141.228   57.014  229.686   44.363   99.711   23.314  132.763   13.572 -33.05217 26.97687 
1 1 1   20   13   33 o   83.829   13.929   93.276   28.135   95.638   45.507   91.815   35.796   82.189   21.811   81.717   18.026 0.4721832 28.29557 
1 1 1   20   13   34 o   72.278   14.959   70.651   26.109   58.757   39.063   80.256   35.102   65.511   21.049   75.920   18.650 -10.40932 28.12244 
1 1 1   20   13   35 o  109.132   12.273  155.815   32.866  143.150   48.583  166.502   44.627  100.947   19.980  110.858   16.634 -9.910637 25.99771 
1 1 1   20   13   36 o   87.430   13.459  102.018   28.442   82.217   38.787  125.052   41.832   75.743   20.153   94.629   18.365 -18.88644 27.26579 
1 1 1   20   14    0 o  229.784   13.188  667.813   75.357  651.371   88.040  712.871  145.740  226.333   15.673  233.536   25.400 -7.203674 29.84646 
1 1 1   20   14    1 o  224.370   12.837  636.300   71.626  615.926   83.160  694.845  140.968  220.193   15.217  230.803   24.850 -10.61021 29.13918 
1 1 1   20   14    2 o  243.330   24.492  770.347  146.801  770.347  146.801   0.0000   0.0000  243.330   24.492  ?   ?  0.000000 24.49204 
1 1 1   20   14    3 o  112.848   30.155  172.617   86.599  172.617   86.599   0.0000   0.0000  112.848   30.155  ?   ?  0.000000 30.15478 
1 1 1   20   14    4 o  573.776   21.729  4214.57  311.345  4100.83  379.204  4449.86  545.399  562.213   27.010  573.907   38.275 -11.69379 46.84591 
1 1 1   20   14    5 f  212.828   9.9508  568.539   52.886  565.870   74.440  571.259   75.148  211.297   14.190  212.290   14.258 -0.9930878 20.11613 
1 1 1   20   14    6 o  430.816   14.117  2341.82  151.879  2359.78  214.731  2323.84  214.848  430.219   19.987  426.856   20.156 3.362762 28.38567 
1 1 1   20   14    7 o  143.083   10.191  258.294   36.174  264.386   52.221  252.675   50.158  143.970   14.733  140.765   14.475 3.205673 20.65399 
1 1 1   20   14    8 o  393.331   12.836  1948.38  126.081  1957.19  178.198  1939.54  178.413  392.532   18.179  390.719   18.286 1.813141 25.78475 
1 1 1   20   14    9 f  305.683   12.327  1175.99   94.094  1144.09  133.183  1207.79  132.956  299.700   17.877  308.133   17.350 -8.433075 24.91171 
1 1 1   20   14   10 o  157.407   10.921  312.762   42.661  301.707   61.163  323.236   59.534  153.579   16.192  159.248   15.153 -5.668655 22.17668 
1 1 1   20   14   11 o  274.134   11.872  945.257   81.270  879.228  115.144  1010.81  114.725  262.656   17.658  282.097   16.356 -19.44110 24.06883 
1 1 1   20   14   12 o  323.380   11.410  1314.68   92.137  1395.79  131.352  1236.12  129.277  332.158   15.836  311.944   16.656 20.21378 22.98239 
1 1 1   20   14   13 o  428.625   17.686  2332.03  189.305  2374.17  231.030  2245.95  330.242  430.812   21.475  411.745   32.380 19.06769 38.85374 
1 1 1   20   14   14 o   99.917   18.129  130.580   43.568  132.781   51.071  124.696   83.501  100.144   21.088   97.604   30.712 2.540154 37.25491 
1 1 1   20   14   15 o  291.323   16.744  1079.19  121.299  1032.37  163.606  1136.33  180.760  282.490   23.403  295.890   24.689 -13.39990 34.01853 
1 1 1   20   14   16 o  280.328   16.771  999.805  116.862  1005.51  157.314  992.777  174.564  278.965   22.781  275.967   25.623 2.997986 34.28583 
1 1 1   20   14   17 o  241.330   11.102  732.235   66.906  676.438   97.860  781.207   91.680  230.253   17.142  248.165   14.862 -17.91232 22.68809 
1 1 1   20   14   18 o  475.799   15.847  2867.82  188.290  2835.11  267.871  2899.78  264.721  469.452   22.850  475.100   22.313 -5.648651 31.93705 
1 1 1   20   14   19 o  205.707   10.853  533.550   55.554  527.935   81.466  538.430   75.953  203.416   16.171  205.775   14.881 -2.358810 21.97627 
1 1 1   20   14   20 o  251.504   10.998  795.847   69.076  799.824  100.839  792.332   94.816  250.523   16.206  249.619   15.284 0.9035187 22.27627 
1 1 1   20   14   21 o  235.927   11.128  700.792   65.563  663.625   96.131  733.115   89.649  227.728   17.028  240.041   15.032 -12.31334 22.71309 
1 1 1   20   14   22 o  157.501   11.266  314.137   44.017  297.185   67.051  326.975   58.351  151.493   18.081  159.913   14.779 -8.419296 23.35289 
1 1 1   20   14   23 o  234.818   11.266  695.413   66.061  709.272   98.329  684.011   89.187  235.136   16.858  231.359   15.527 3.776169 22.91889 
1 1 1   20   14   24 o  310.315   12.145  1217.82   94.111  1105.50  137.805  1316.00  128.834  292.438   18.973  320.646   16.142 -28.20847 24.91027 
1 1 1   20   14   25 o  204.217   10.595  527.719   53.844  524.297   82.324  530.278   71.179  201.671   16.491  203.687   14.080 -2.016342 21.68436 
1 1 1   20   14   26 o   81.356   13.721   86.472   26.885   49.415   45.403  106.481   33.363   64.397   22.700   90.046   15.390 -25.64949 27.42482 
1 1 1   20   14   27 o  208.915   11.056  554.342   57.475  519.273   88.688  579.734   75.467  199.411   18.004  212.464   14.307 -13.05301 22.99675 
1 1 1   20   14   28 o   58.068   15.505   44.950   22.906   81.539   41.400   28.808   27.498   77.271   20.935   49.895   17.657 27.37584 27.38751 
1 1 1   20   14   29 o  160.671   14.214  334.164   56.441  307.589   78.374  362.794   81.348  150.802   21.414  164.617   20.213 -13.81499 29.44699 
1 1 1   20   14   30 o   72.153   18.865   71.155   34.375   50.559   47.411   93.983   49.913   64.462   23.145   82.012   23.285 -17.54970 32.83140 
1 1 1   20   14   31 o   72.299   18.428   71.601   33.369   65.633   45.739   78.393   48.792   69.856   22.804   75.321   23.440 -5.465424 32.70297 
1 1 1   20   14   32 o  212.659   14.466  588.664   76.366  441.604  104.932  754.260  111.349  177.611   24.296  237.505   18.932 -59.89372 30.80070 
1 1 1   20   14   33 o   80.919   14.299   87.260   27.838   38.786   44.914  117.499   35.474   58.961   22.285   93.659   15.725 -34.69795 27.27441 
1 1 1   20   14   34 o   49.805   16.113   32.189   22.860   49.871   35.558   19.732   29.845   61.122   20.114   46.126   17.976 14.99516 26.97620 
1 1 1   20   14   35 o  142.559   11.257  262.815   39.748  227.808   60.481  289.430   52.736  128.387   19.476  148.044   14.449 -19.65659 24.25038 
1 1 1   20   14   36 o   79.860   13.947   85.725   26.801   62.414   37.160  110.997   38.691   66.531   20.415   89.298   17.973 -22.76685 27.19949 
1 1 1   20   15    0 o  338.692   15.394  1452.17  130.203  1499.86  156.186  1343.52  235.745  342.779   18.313  318.562   29.987 24.21643 35.13680 
1 1 1   20   15    1 f  143.310   13.547  261.373   47.906  256.584   53.279  281.586  109.463  141.607   15.311  143.649   31.392 -2.042465 34.92672 
1 1 1   20   15    2 o  169.069   12.877  362.294   53.956  352.401   60.779  399.084  117.207  166.337   14.787  173.024   28.090 -6.687729 31.74412 
1 1 1   20   15    3 o  121.168   29.485  199.468   88.369  199.468   88.369   0.0000   0.0000  121.168   29.485  ?   ?  0.000000 29.48501 
1 1 1   20   15    4 o  122.260   14.773  191.533   44.189  212.275   49.208  105.128  100.432  128.609   15.644   94.329   33.706 34.27988 37.15958 
1 1 1   20   15    5 o  115.044   14.363  169.629   40.365  140.169   44.412  309.557   96.792  103.665   17.797  152.633   26.347 -48.96734 31.79431 
1 1 1   20   15    6 o  321.205   13.794  1301.60  110.644  1226.95  131.862  1479.21  203.388  310.565   17.068  338.015   24.257 -27.45087 29.66007 
1 1 1   20   15    7 o  306.759   11.301  1183.10   86.573  1191.44  122.057  1174.66  122.812  306.377   16.009  304.138   16.229 2.239624 22.79629 
1 1 1   20   15    8 o  378.415   13.254  1804.97  125.243  1830.39  177.106  1779.54  177.133  379.305   18.698  373.410   19.060 5.895538 26.69981 
1 1 1   20   15    9 o  191.866   10.067  463.404   48.063  511.274   68.863  417.935   67.113  200.864   13.813  181.268   14.960 19.59550 20.36169 
1 1 1   20   15   10 o  221.644   10.664  617.148   59.021  621.097   83.920  613.282   83.025  221.134   15.291  219.748   15.224 1.385300 21.57702 
1 1 1   20   15   11 o  345.350   12.222  1501.18  105.399  1490.64  149.264  1511.65  148.851  342.268   17.523  344.743   17.346 -2.475159 24.65606 
1 1 1   20   15   12 o  528.020   16.726  3533.97  220.549  3588.34  312.426  3479.96  311.384  528.110   23.690  519.880   23.985 8.229492 33.71231 
1 1 1   20   15   13 o  371.644   19.383  1764.37  179.263  1768.33  246.588  1759.94  261.064  368.203   27.007  366.276   28.774 1.926910 39.46271 
1 1 1   20   15   14 f  321.471   17.078  1314.57  136.606  1172.09  184.413  1487.83  203.352  300.419   24.804  339.003   24.180 -38.58362 34.63922 
1 1 1   20   15   15 o  192.040   15.525  469.560   73.813  486.039   94.434  443.679  118.342  194.269   19.740  183.245   26.642 11.02342 33.15826 
1 1 1   20   15   16 o  336.117   12.430  1422.91  104.332  1511.66  149.258  1338.11  145.894  344.598   17.401  323.902   18.110 20.69586 25.11525 
1 1 1   20   15   17 o  110.058   16.424  156.792   43.758   0.0000   0.0000  156.792   43.758  ?   ?   110.058   16.424 0.000000 16.42427 
1 1 1   20   15   18 o  160.933   12.426  328.230   49.552  269.873   65.752  404.944   75.387  144.408   18.671  177.749   17.199 -33.34041 25.38493 
1 1 1   20   15   19 o  228.574   11.515  659.300   65.513  642.084   95.123  674.835   90.360  224.132   17.125  230.193   15.815 -6.061127 23.31061 
1 1 1   20   15   20 o  234.324   10.625  690.584   62.170  734.160   91.254  652.838   84.929  240.208   15.292  226.513   15.101 13.69496 21.49193 
1 1 1   20   15   21 o  256.646   11.508  829.899   73.756  831.964  107.742  828.078  101.180  255.072   17.012  254.826   15.981 0.2468414 23.34133 
1 1 1   20   15   22 o  323.416   12.114  1320.18   97.838  1389.49  142.108  1257.73  134.902  329.527   17.330  313.485   17.300 16.04147 24.48695 
1 1 1   20   15   23 o  118.539   11.841  179.131   34.582  184.726   54.517  175.363   44.734  118.552   19.061  116.346   15.806 2.205490 24.76188 
1 1 1   20   15   24 o  147.733   11.307  277.138   41.398  241.604   64.316  302.272   54.092  135.584   19.562  153.593   14.266 -18.00897 24.21129 
1 1 1   20   15   25 o  160.705   10.616  327.366   42.364  356.085   66.223  307.473   55.117  166.051   16.176  154.736   14.430 11.31464 21.67715 
1 1 1   20   15   26 o  102.735   12.509  135.865   31.430   86.946   51.485  164.926   39.682   80.237   23.905  112.827   14.414 -32.58936 27.91424 
1 1 1   20   15   27 o  165.176   10.964  346.980   44.967  290.027   71.033  385.067   58.089  147.907   19.723  173.241   13.535 -25.33446 23.92073 
1 1 1   20   15   28 o   77.879   13.798   79.768   25.851   72.893   44.833   83.192   31.640   73.503   22.400   78.832   16.597 -5.329208 27.87909 
1 1 1   20   15   29 o  173.201   10.611  382.050   45.673  367.019   73.345  391.570   58.371  166.790   17.889  174.306   13.516 -7.516144 22.42078 
1 1 1   20   15   30 o   94.575   12.241  116.081   28.231   99.022   48.650  124.742   34.665   84.198   22.645   97.317   14.725 -13.11902 27.01151 
1 1 1   20   15   31 f   57.494   15.597   44.422   22.962   47.096   41.412   43.235   27.592   61.577   21.682   57.144   17.601 4.433086 27.92682 
1 1 1   20   15   32 o  137.410   11.004  242.378   37.443  191.462   61.855  271.826   47.041  117.342   21.915  144.747   13.158 -27.40535 25.56162 
1 1 1   20   15   33 o   87.662   13.114  101.108   27.825  121.952   46.406   89.409   34.768   93.534   20.439   80.778   17.723 12.75698 27.05310 
1 1 1   20   15   34 o   54.888   18.969   38.044   31.623   42.822   38.302   27.812   56.049   58.573   20.827   58.811   24.045 -0.2386742 31.81135 
1 1 1   20   15   35 o   65.587   18.898   59.803   32.641   61.004   37.680   56.191   65.334   66.265   20.595   68.669   26.642 -2.404160 33.67417 
1 1 1   20   15   36 o  105.449   30.669  179.060   85.608   0.0000   0.0000  179.060   85.608  ?   ?   105.449   30.669 0.000000 30.66871 
1 1 1   20   16    0 o   82.416   17.215   89.453   34.288   78.147   36.521  173.529   99.591   76.773   19.121  112.804   33.156 -36.03192 38.27497 
1 1 1   20   16    1 o  155.286   12.519  305.844   48.135  246.724   53.022  582.915  114.785  138.726   15.575  211.951   22.008 -73.22485 26.96128 
1 1 1   20   16    2 o   95.490   16.451  118.807   37.811  114.184   40.844  146.520  100.000   93.188   18.204  105.195   33.666 -12.00699 38.27233 
1 1 1   20   16    3 o   74.361   19.551   73.132   36.787   73.132   36.787   0.0000   0.0000   74.361   19.551  ?   ?  0.000000 19.55145 
1 1 1   20   16    4 o  396.643   30.198  2078.06  296.858  2078.06  296.858   0.0000   0.0000  396.643   30.198  ?   ?  0.000000 30.19768 
1 1 1   20   16    5 o  264.253   13.368  883.006   87.930  871.924  103.561  911.631  166.446  261.903   15.910  264.218   25.545 -2.315552 30.09471 
1 1 1   20   16    6 o  464.769   18.745  2750.98  217.558  2709.08  263.858  2839.94  384.500  458.353   23.127  461.345   33.606 -2.992157 40.79491 
1 1 1   20   16    7 o  126.236   14.104  203.615   43.700  196.663   48.240  235.412  103.173  123.629   16.001  131.141   31.827 -7.512337 35.62300 
1 1 1   20   16    8 f  185.994   12.460  437.600   57.539  412.952   65.801  517.684  118.608  180.183   14.753  198.997   24.378 -18.81418 28.49452 
1 1 1   20   16    9 o  134.775   10.743  229.683   35.856  227.298   51.607  231.910   49.854  133.094   15.838  134.622   15.089 -1.527390 21.87574 
1 1 1   20   16   10 o  415.686   13.627  2179.88  141.458  2186.80  199.834  2172.93  200.271  414.204   19.320  412.842   19.426 1.362335 27.39758 
1 1 1   20   16   11 o  494.607   15.623  3096.16  192.966  3179.80  273.282  3012.98  272.510  497.977   21.976  484.415   22.528 13.56186 31.47130 
1 1 1   20   16   12 o  110.499   11.233  155.082   30.565  179.763   45.562  134.888   41.214  118.154   15.841  101.860   16.788 16.29386 23.08161 
1 1 1   20   16   13 o   76.944   19.600   78.379   37.764   54.528   42.067  177.397   85.713   66.471   21.878  114.279   29.746 -47.80843 36.92536 
1 1 1   20   16   14 o  391.416   19.563  1954.46  191.212  1854.62  262.665  2067.01  278.892  376.118   28.170  397.076   28.312 -20.95798 39.93911 
1 1 1   20   16   15 o  155.439   11.253  305.416   43.385  325.006   64.031  288.790   58.989  159.331   16.324  150.179   15.974 9.152100 22.83949 
1 1 1   20   16   16 o  321.335   13.736  1303.40  110.219  1367.32  187.394  1269.58  136.285  325.105   23.236  315.668   17.355 9.436249 29.00179 
1 1 1   20   16   17 o  177.688   13.341  400.555   58.763  419.311   68.494  348.256  114.375  181.389   15.263  160.693   29.593 20.69649 33.29731 
1 1 1   20   16   18 o  212.348   10.945  568.607   57.842  578.134   83.639  559.873   80.079  212.992   15.838  209.699   15.400 3.292450 22.09106 
1 1 1   20   16   19 o  201.309   10.687  511.073   53.532  544.463   78.085  481.464   73.531  206.766   15.230  194.360   15.273 12.40646 21.56902 
1 1 1   20   16   20 o   99.930   12.751  128.005   31.093  110.205   48.227  140.667   40.675   90.797   21.586  104.074   16.176 -13.27665 26.97477 
1 1 1   20   16   21 o  208.133   11.302  547.331   58.523  577.685   86.135  521.304   79.760  212.503   16.357  201.929   15.947 10.57455 22.84472 
1 1 1   20   16   22 o  198.795   10.980  499.433   54.296  492.240   80.326  505.485   73.677  195.862   16.579  198.996   14.935 -3.133179 22.31417 
1 1 1   20   16   23 o  174.222   10.829  384.089   46.882  359.542   70.575  403.476   62.720  166.854   17.184  177.735   14.251 -10.88132 22.32442 
1 1 1   20   16   24 f   84.081   13.400   91.809   27.192  122.468   45.505   74.782   33.912   95.759   19.687   74.823   18.301 20.93671 26.87981 
1 1 1   20   16   25 o  148.963   11.202  282.020   41.366  306.754   64.842  265.046   53.716  153.641   17.195  143.308   15.244 10.33290 22.97961 
1 1 1   20   16   26 o  182.105   10.792  420.720   48.859  404.459   75.391  432.496   64.155  176.351   17.344  183.633   14.098 -7.281342 22.35087 
1 1 1   20   16   27 o  124.311   11.690  197.757   35.863  127.343   57.596  242.343   45.832   95.905   24.083  137.186   13.556 -41.28046 27.63620 
1 1 1   20   16   28 o  100.879   12.111  131.278   29.898   94.856   50.301  151.175   37.178   82.910   23.318  107.759   14.159 -24.84888 27.28021 
1 1 1   20   16   29 o   73.510   14.121   71.585   24.980   96.506   43.956   59.697   30.359   83.678   21.053   66.457   17.895 17.22139 27.63109 
1 1 1   20   16   30 o  120.739   11.189  187.120   33.353  153.946   55.997  205.359   41.521  105.417   21.984  125.808   13.424 -20.39102 25.75796 
1 1 1   20   16   31 o   81.863   13.164   88.105   25.999   33.876   45.571  114.272   31.656   57.839   22.303   93.182   14.040 -35.34291 26.35468 
1 1 1   20   16   32 o   47.238   15.360   28.389   20.757   10.300   38.075   36.039   24.761   46.936   19.564   52.615   16.743 -5.678856 25.75001 
1 1 1   20   16   33 o  155.247   10.876  309.252   41.896  291.521   67.974  320.113   53.203  146.781   18.990  156.733   13.732 -9.952698 23.43481 
1 1 1   20   16   34 o  123.748   11.399  197.957   34.829  188.115   56.333  204.047   44.315  116.638   20.064  124.362   14.544 -7.724358 24.78126 
1 1 1   20   16   35 o   70.839   14.718   67.930   25.186   73.654   38.589   63.683   33.242   72.234   20.462   67.581   18.938 4.652695 27.88113 
1 1 1   20   16   36 o  134.906   15.489  243.564   51.234   0.0000   0.0000  243.564   51.234  ?   ?   134.906   15.489 0.000000 15.48893 
1 1 1   20   17    0 o  180.727   11.622  413.059   52.174  335.644   57.466  776.267  124.474  162.268   14.329  245.216   20.516 -82.94774 25.02424 
1 1 1   20   17    1 o  101.367   15.100  132.876   37.056  111.579   39.587  283.604  105.316   92.110   17.855  144.197   30.215 -52.08699 35.09603 
1 1 1   20   17    2 o  171.228   13.570  372.531   57.548  392.936   65.180  300.383  122.563  175.549   15.013  147.220   34.021 28.32852 37.18624 
1 1 1   20   17    3 f  262.393   13.834  872.122   90.327  896.518  105.926  807.104  172.927  265.396   16.059  246.711   28.599 18.68501 32.79936 
1 1 1   20   17    4 o  102.965   30.138  142.833   82.438  142.833   82.438   0.0000   0.0000  102.965   30.138  ?   ?  0.000000 30.13832 
1 1 1   20   17    5 o  152.989   20.198  304.151   75.280  226.587   97.450  418.931  118.546  128.698   30.744  177.326   27.675 -48.62788 41.36523 
1 1 1   20   17    6 o  384.255   16.129  1872.08  154.769  1855.65  185.989  1909.07  279.080  380.704   19.630  380.258   29.624 0.4460754 35.53759 
1 1 1   20   17    7 o  305.006   13.830  1174.64  105.338  1094.72  124.733  1373.38  196.696  293.109   17.116  325.179   24.401 -32.07019 29.80496 
1 1 1   20   17    8 o  582.166   18.447  4315.96  268.172  3774.51  324.443  5483.65  476.457  540.761   24.026  646.437   29.515 -105.6763 38.05787 
1 1 1   20   17    9 o  127.403   13.607  207.099   42.620  180.521   46.672  340.510  104.568  118.287   16.228  159.796   27.178 -41.50859 31.65428 
1 1 1   20   17   10 o   87.417   17.564  100.446   37.010  112.589   40.381   36.694   92.527   92.556   18.120   76.169   30.990 16.38750 35.89851 
1 1 1   20   17   11 o  327.594   13.177  1353.48  107.798  1261.20  152.016  1446.82  152.887  313.809   19.495  336.697   18.252 -22.88751 26.70553 
1 1 1   20   17   12 o  305.048   11.496  1170.80   87.573  1242.53  124.418  1100.37  123.284  312.753   15.984  293.983   16.864 18.76971 23.23514 
1 1 1   20   17   13 o  372.154   19.380  1771.64  179.486  1743.94  245.190  1803.61  263.455  365.117   27.085  370.308   28.715 -5.191010 39.47300 
1 1 1   20   17   14 f  443.229   21.570  2519.91  238.739  2426.37  330.040  2622.58  345.764  427.900   31.099  444.746   31.333 -16.84558 44.14673 
1 1 1   20   17   15 o  287.793   11.220  1041.87   80.636  1107.90  115.718  979.550  112.425  295.311   15.749  277.458   16.298 17.85254 22.66346 
1 1 1   20   17   16 o  265.386   11.140  885.959   73.824  929.549  106.011  844.917  102.865  270.392   15.769  257.660   16.067 12.73260 22.51228 
1 1 1   20   17   17 o  192.424   10.487  466.805   50.201  459.569   72.193  473.579   69.855  189.883   15.356  192.960   14.605 -3.076569 21.19285 
1 1 1   20   17   18 o  100.578   11.567  129.012   28.524  143.845   44.406  118.594   37.217  104.977   17.560   95.409   16.200 9.567581 23.89111 
1 1 1   20   17   19 o  211.428   10.228  561.995   54.003  627.871   78.903  503.942   74.071  222.314   14.288  198.884   15.025 23.42979 20.73414 
1 1 1   20   17   20 o  187.582   10.841  444.354   50.567  462.520   74.001  428.442   69.258  190.232   15.718  183.162   15.282 7.070465 21.92260 
1 1 1   20   17   21 o  283.537   11.338  1013.24   80.276  1097.67  116.264  936.317  110.975  293.376   15.929  270.684   16.496 22.69208 22.93207 
1 1 1   20   17   22 o  199.267   11.064  502.059   54.839  442.324   80.456  553.893   74.946  185.195   17.609  208.426   14.490 -23.23109 22.80403 
1 1 1   20   17   23 o   53.035   15.559   36.499   21.949   45.369   38.840   32.337   26.605   61.376   21.033   51.749   17.409 9.627029 27.30320 
1 1 1   20   17   24 o  122.585   11.443  191.493   34.625  210.960   54.583  178.384   44.790  127.045   17.684  117.229   15.694 9.816223 23.64400 
1 1 1   20   17   25 o  125.171   11.705  199.997   36.161  198.279   57.039  201.152   46.759  122.410   19.299  124.575   15.356 -2.165154 24.66281 
1 1 1   20   17   26 o  140.984   10.968  252.951   38.309  218.166   60.420  276.335   49.539  128.241   19.480  146.649   13.686 -18.40788 23.80667 
1 1 1   20   17   27 o  141.497   10.990  255.143   38.527  240.897   61.401  264.393   49.479  134.916   18.730  143.168   14.019 -8.252029 23.39575 
1 1 1   20   17   28 o  181.613   11.058  420.098   49.910  377.958   77.855  449.498   65.030  169.129   18.750  186.778   14.045 -17.64946 23.42677 
1 1 1   20   17   29 o  111.694   11.387  160.295   31.315  153.250   52.536  164.178   39.002  105.980   20.593  112.186   14.243 -6.206154 25.03847 
1 1 1   20   17   30 o  145.822   10.659  271.691   38.547  218.895   62.947  303.370   48.758  126.880   20.571  153.364   12.850 -26.48337 24.25476 
1 1 1   20   17   31 o  138.809   10.702  246.674   36.810  215.283   61.148  264.516   46.099  125.752   20.153  142.929   13.060 -17.17713 24.01471 
1 1 1   20   17   32 o   75.402   13.571   75.387   24.615   59.880   44.083   82.412   29.671   67.103   22.410   78.244   15.731 -11.14080 27.38043 
1 1 1   20   17   33 o  135.467   10.943  235.891   36.702  204.030   61.436  253.572   45.767  121.385   21.030  139.557   13.293 -18.17240 24.87885 
1 1 1   20   17   34 o   87.221   12.973  100.241   27.395   78.302   46.034  112.270   34.089   74.469   22.699   91.468   15.476 -16.99906 27.47308 
1 1 1   20   17   35 o  111.340   11.880  161.414   32.520   81.524   51.451  214.564   41.966   75.489   24.147  127.896   13.336 -52.40680 27.58499 
1 1 1   20   17   36 o  145.781   26.637  317.759   93.396   0.0000   0.0000  317.759   93.396  ?   ?   145.781   26.637 0.000000 26.63677 
1 1 1   20   18    0 o  220.686   12.056  615.992   66.187  569.486   74.671  786.466  142.965  211.632   14.212  245.271   23.634 -33.63911 27.57800 
1 1 1   20   18    1 o  307.862   13.318  1197.62  102.385  1124.46  120.088  1392.35  195.921  297.032   16.252  326.738   24.184 -29.70612 29.13716 
1 1 1   20   18    2 o  200.683   13.246  510.844   66.007  504.821   75.086  531.331  138.477  198.994   15.226  199.236   28.658 -0.2419586 32.45123 
1 1 1   20   18    3 o  111.807   15.623  161.473   42.427  167.500   46.353  130.350  105.334  113.616   16.848  101.026   34.637 12.59016 38.51743 
1 1 1   20   18    4 o  208.730   13.053  552.010   67.695  547.099   76.542  569.648  145.048  207.346   14.882  206.453   28.929 0.8927155 32.53225 
1 1 1   20   18    5 o  410.411   30.983  2241.01  315.195  2241.01  315.195   0.0000   0.0000  410.411   30.983  ?   ?  0.000000 30.98291 
1 1 1   20   18    6 o  191.767   12.436  465.488   59.232  408.761   66.394  686.724  131.116  179.083   14.984  229.647   23.181 -50.56412 27.60209 
1 1 1   20   18    7 o  199.900   12.919  506.121   64.147  472.451   72.909  621.497  134.963  192.554   15.288  217.544   25.317 -24.99017 29.57538 
1 1 1   20   18    8 o  223.683   13.019  633.292   72.409  630.570   83.730  641.366  144.206  222.670   15.148  220.461   26.741 2.209106 30.73353 
1 1 1   20   18    9 o  166.628   13.028  352.326   53.780  350.354   60.695  359.531  116.017  165.770   14.818  163.247   29.547 2.523315 33.05487 
1 1 1   20   18   10 o  538.222   20.633  3710.51  277.309  3620.98  336.865  3898.74  488.442  528.155   25.541  536.335   36.689 -8.180176 44.70432 
1 1 1   20   18   11 o  327.743   14.969  1359.41  122.513  1336.86  146.617  1411.58  223.018  323.489   18.224  327.808   27.498 -4.318848 32.98873 
1 1 1   20   18   12 o  139.680   13.970  248.854   48.074  236.954   53.610  297.704  108.624  135.786   16.126  147.939   30.419 -12.15387 34.42878 
1 1 1   20   18   13 o  249.148   16.649  791.452  102.989  839.351  134.130  722.651  160.753  254.983   21.259  233.594   28.123 21.38943 35.25418 
1 1 1   20   18   14 o  294.557   17.443  1107.14  127.733  1136.16  170.570  1070.08  192.738  295.966   23.266  285.137   27.406 10.82898 35.95016 
1 1 1   20   18   15 o  166.851   15.905  356.080   65.466   0.0000   0.0000  356.080   65.466  ?   ?   166.851   15.905 0.000000 15.90469 
1 1 1   20   18   16 o  194.798   15.740  484.158   75.913  484.158   75.913   0.0000   0.0000  194.798   15.740  ?   ?  0.000000 15.74002 
1 1 1   20   18   17 o  261.556   11.884  861.954   77.621  917.070  111.152  809.492  108.443  268.130   16.683  251.626   17.364 16.50409 24.08014 
1 1 1   20   18   18 o  170.564   11.068  367.694   46.888  390.130   68.336  347.733   64.455  174.635   15.842  164.791   15.859 9.843231 22.41600 
1 1 1   20   18   19 o  324.478   12.411  1328.56  100.562  1387.26  143.654  1272.16  140.820  329.416   17.526  315.231   17.963 14.18494 25.09677 
1 1 1   20   18   20 o  403.639   14.216  2064.01  143.288  2122.42  204.126  2007.26  201.185  406.387   20.114  394.518   20.492 11.86844 28.71407 
1 1 1   20   18   21 o  153.180   11.287  297.391   42.870  289.769   63.275  303.858   58.287  149.725   17.238  153.887   15.373 -4.162643 23.09749 
1 1 1   20   18   22 o   81.309   13.774   86.043   26.969   80.535   43.573   89.463   34.335   77.647   21.655   82.178   17.280 -4.530830 27.70452 
1 1 1   20   18   23 o   41.047   15.015   17.486   20.077   19.094   36.475   16.787   24.048   50.001   19.755   42.789   16.275 7.211788 25.59576 
1 1 1   20   18   24 o  174.186   10.929  384.643   47.298  412.214   70.704  362.310   63.633  178.845   16.000  167.796   15.356 11.04927 22.17719 
1 1 1   20   18   25 o  224.859   11.239  639.678   63.108  608.225   93.096  666.419   85.841  216.684   17.351  227.821   15.176 -11.13705 23.05073 
1 1 1   20   18   26 o  140.541   11.197  251.679   38.969  244.627   61.048  256.529   50.625  136.263   18.412  140.926   14.597 -4.663025 23.49667 
1 1 1   20   18   27 o  211.702   10.553  567.446   55.791  662.526   85.315  496.408   73.744  226.629   15.163  196.029   15.183 30.59953 21.45750 
1 1 1   20   18   28 o  149.042   11.573  284.089   42.736  214.711   66.937  331.829   55.526  125.428   22.182  160.299   14.012 -34.87109 26.23713 
1 1 1   20   18   29 f  114.632   12.822  170.050   36.075  144.496   53.447  191.434   48.892  102.392   21.583  120.314   16.726 -17.92282 27.30539 
1 1 1   20   18   30 o  133.666   12.733  230.851   41.987  206.652   60.352  253.551   58.452  123.280   20.312  138.260   17.309 -14.97978 26.68646 
1 1 1   20   18   31 o   66.222   15.949   59.329   26.060   53.896   41.777   62.789   33.343   64.405   21.815   67.765   18.959 -3.360283 28.90199 
1 1 1   20   18   32 o   86.002   14.900   98.526   30.841   65.402   47.566  122.551   40.510   69.745   23.279   95.062   17.717 -25.31705 29.25392 
1 1 1   20   18   33 o  139.547   13.193  253.439   45.428  198.738   64.667  306.733   63.830  118.852   22.615  151.614   17.161 -32.76214 28.38901 
1 1 1   20   18   34 o  134.304   11.210  232.678   37.253  145.528   61.061  284.350   47.017   99.945   24.625  147.838   12.864 -47.89357 27.78285 
1 1 1   20   18   35 o  237.917   15.455  748.241   91.326   0.0000   0.0000  748.241   91.326  ?   ?   237.917   15.455 0.000000 15.45536 
1 1 1   20   19    0 o  220.417   13.012  616.336   71.301  588.564   81.353  708.349  148.079  214.738   15.271  231.134   26.113 -16.39574 30.25065 
1 1 1   20   19    1 o  376.593   14.423  1797.52  135.637  1625.59  160.238  2232.07  254.748  356.199   18.074  413.031   24.814 -56.83246 30.69844 
1 1 1   20   19    2 o  141.258   13.427  254.505   46.793  234.343   51.069  360.013  116.822  135.034   15.422  162.613   29.869 -27.57893 33.61553 
1 1 1   20   19    3 o  362.678   15.736  1670.55  142.516  1678.95  170.282  1650.90  260.400  361.778   18.914  351.823   29.923 9.954895 35.39980 
1 1 1   20   19    4 o  248.952   13.683  785.979   84.735  757.441   98.298  868.526  167.179  243.605   16.252  256.525   26.478 -12.91940 31.06824 
1 1 1   20   19    5 o   85.450   30.125   87.799   79.967   87.799   79.967   0.0000   0.0000   85.450   30.125  ?   ?  0.000000 30.12495 
1 1 1   20   19    6 o  162.740   26.887  354.201  105.452  354.201  105.452   0.0000   0.0000  162.740   26.887  ?   ?  0.000000 26.88738 
1 1 1   20   19    7 o  402.705   17.210  2064.04  173.071  2114.75  208.363  1951.22  310.809  405.456   20.647  380.869   33.005 24.58710 38.93146 
1 1 1   20   19    8 o  500.321   18.632  3195.70  232.793  2941.09  281.082  3751.75  415.385  476.817   23.606  530.644   31.488 -53.82660 39.35424 
1 1 1   20   19    9 o  255.977   13.060  829.169   83.207  811.307   96.939  879.161  162.175  252.529   15.446  258.955   25.406 -6.426025 29.73326 
1 1 1   20   19   10 o  220.277   13.488  615.093   73.835  621.286   85.127  596.284  148.353  220.851   15.534  211.353   28.863 9.497787 32.77798 
1 1 1   20   19   11 o  238.930   13.257  722.906   78.785  673.734   90.982  870.305  157.522  229.912   15.945  257.981   24.755 -28.06918 29.44629 
1 1 1   20   19   12 o  268.763   13.351  912.144   89.604  852.989  105.099  1069.57  171.450  258.689   16.354  286.483   24.192 -27.79410 29.20074 
1 1 1   20   19   13 o  298.824   16.985  1138.94  126.224  1051.56  165.676  1259.83  194.873  284.342   23.545  310.425   25.360 -26.08255 34.60481 
1 1 1   20   19   14 o  161.020   15.602  331.720   61.949  293.188   73.410  427.032  115.457  150.075   20.093  179.226   26.604 -29.15152 33.33934 
1 1 1   20   19   15 o  568.596   21.487  4158.16  305.091  4166.94  371.724  4140.04  534.032  565.059   26.344  547.929   39.290 17.12915 47.30449 
1 1 1   20   19   16 o  199.868   10.616  503.888   52.793  515.586   75.735  492.831   73.630  201.128   15.191  196.636   15.110 4.491806 21.42653 
1 1 1   20   19   17 o  249.354   11.617  783.455   72.337  786.108  103.263  780.899  101.363  248.025   16.771  247.286   16.510 0.7393036 23.53364 
1 1 1   20   19   18 o  129.151   11.269  211.669   35.980  212.894   53.512  210.659   48.609  128.202   17.144  127.924   15.535 0.2780075 23.13583 
1 1 1   20   19   19 o  373.717   13.568  1767.22  126.619  1861.01  180.565  1676.48  177.603  381.104   18.973  360.823   19.786 20.28091 27.41316 
1 1 1   20   19   20 f  107.056   11.162  145.981   29.402  183.023   45.878  120.164   38.301  118.953   15.838   95.805   16.611 23.14784 22.95184 
1 1 1   20   19   21 o  274.595   11.792  952.100   80.857  946.040  116.078  957.812  112.695  271.509   17.209  273.464   16.581 -1.954224 23.89755 
1 1 1   20   19   22 o  107.065   11.926  146.613   31.343  153.539   48.348  141.593   41.164  107.877   18.620  104.116   16.373 3.761230 24.79497 
1 1 1   20   19   23 o  128.013   11.276  208.581   35.677  233.497   54.543  189.948   47.167  134.082   16.648  120.927   16.013 13.15509 23.09928 
1 1 1   20   19   24 o  232.627   11.016  683.952   63.991  715.700   93.487  655.963   87.778  235.905   15.963  225.931   15.655 9.974396 22.35838 
1 1 1   20   19   25 f  174.629   12.369  388.975   53.591  357.761   72.619  426.302   79.412  165.552   17.848  180.880   17.812 -15.32738 25.21563 
1 1 1   20   19   26 o  201.888   15.013  525.225   75.148  653.354  138.490  471.756   89.464  219.066   25.811  189.427   19.177 29.63881 32.15572 
1 1 1   20   19   27 o  208.515   15.855  563.560   81.939  585.299  147.671  553.889   98.493  203.526   29.951  204.818   19.492 -1.291763 35.73499 
1 1 1   20   19   28 o  187.635   15.021  456.315   69.794  617.852  139.620  402.501   80.586  210.450   27.204  174.350   18.807 36.09978 33.07204 
1 1 1   20   19   29 o  166.934   14.687  362.000   60.601  659.358  141.336  295.016   67.081  217.140   26.623  148.908   18.434 68.23242 32.38186 
1 1 1   20   19   30 o   96.331   17.616  125.061   40.814   19.806  126.994  137.185   43.101   77.745   34.103  100.948   17.745 -23.20338 38.44356 
1 1 1   20   19   31 o  219.747   12.409  621.130   67.814  865.088  170.912  575.548   73.878  245.347   28.422  210.591   14.130 34.75655 31.74089 
1 1 1   20   19   32 o   93.474   14.371  115.591   32.472   35.216  139.671  120.183   33.387   81.449   35.745   95.309   14.484 -13.85971 38.56820 
1 1 1   20   19   33 o  155.871   13.116  315.711   50.580  217.302  160.359  326.583   53.301  112.301   42.182  158.313   13.615 -46.01192 44.32449 
1 1 1   20   19   34 o  143.251   13.276  267.887   46.951  517.173  177.579  249.150   48.684  171.454   41.844  137.595   14.381 33.85806 44.24608 
1 1 1   20   19   35 o   81.534   19.007   93.081   37.986   0.0000   0.0000   93.081   37.986  ?   ?    81.534   19.007 0.000000 19.00731 
1 1 1   20   20    0 o  181.320   16.269  422.514   72.882  422.439   85.521  422.712  139.300  180.280   19.296  174.034   33.265 6.245483 38.45697 
1 1 1   20   20    1 o  364.965   14.903  1692.33  135.822  1582.71  160.650  1967.05  254.327  350.926   18.396  385.528   26.579 -34.60257 32.32477 
1 1 1   20   20    2 o  297.297   13.357  1118.69   99.166  1035.68  114.874  1361.46  196.460  284.710   16.225  321.998   24.619 -37.28726 29.48462 
1 1 1   20   20    3 o  135.475   14.689  235.440   48.897  261.488   53.784  111.333  117.400  142.689   15.335   97.584   36.202 45.10531 39.31605 
1 1 1   20   20    4 o  240.597   13.899  735.310   83.151  734.665   96.188  737.217  165.409  239.778   16.159  234.528   28.852 5.249710 33.06830 
1 1 1   20   20    5 o  278.899   14.035  987.304   97.434  999.745  113.935  953.442  187.974  279.836   16.376  267.357   28.599 12.47919 32.95518 
1 1 1   20   20    6 o  259.505   25.445  886.362  162.771  886.362  162.771   0.0000   0.0000  259.505   25.445  ?   ?  0.000000 25.44516 
1 1 1   20   20    7 o  240.374   14.445  734.419   86.303  790.679  100.131  571.881  170.196  248.885   16.199  203.475   34.743 45.40973 38.33379 
1 1 1   20   20    8 o  223.538   13.352  633.727   74.193  578.302   84.631  817.755  154.212  212.763   16.047  249.479   25.094 -36.71606 29.78583 
1 1 1   20   20    9 o  466.818   17.738  2779.31  206.777  2684.10  249.194  2989.79  370.510  456.265   21.871  472.692   31.570 -16.42715 38.40591 
1 1 1   20   20   10 o  195.457   14.111  485.846   68.413  536.378   78.502  326.276  139.499  205.060   15.444  151.950   37.089 53.11031 40.17561 
1 1 1   20   20   11 o  213.101   13.012  575.555   68.909  537.874   78.534  701.647  143.660  205.357   15.427  230.903   25.331 -25.54599 29.65865 
1 1 1   20   20   12 o  320.608   14.203  1300.93  113.715  1264.70  134.507  1391.69  212.912  314.695   17.181  325.341   26.435 -10.64575 31.52789 
1 1 1   20   20   13 o  450.748   17.335  2588.54  195.126  2460.63  235.324  2869.99  349.073  437.089   21.560  464.415   30.265 -27.32593 37.15896 
1 1 1   20   20   14 o  208.490   15.642  554.752   80.847  509.757   98.830  645.769  140.564  198.356   20.236  221.087   25.954 -22.73119 32.91019 
1 1 1   20   20   15 o  434.852   21.589  2437.27  234.439  2437.27  234.439   0.0000   0.0000  434.852   21.589  ?   ?  0.000000 21.58926 
1 1 1   20   20   16 o  135.815   14.613  236.344   48.782  254.409   54.438  162.716  109.901  140.683   15.767  109.667   35.314 31.01603 38.67354 
1 1 1   20   20   17 o  277.663   14.478  979.739  100.041  1077.62  119.596  751.649  182.563  290.471   16.556  235.196   31.907 55.27507 35.94706 
1 1 1   20   20   18 o  188.185   13.203  450.032   61.654  470.411   71.192  388.897  123.307  191.949   14.971  168.669   30.393 23.28009 33.88045 
1 1 1   20   20   19 o  231.412   11.856  677.650   68.284  659.801   97.805  694.623   95.378  226.601   17.417  232.865   16.509 -6.263916 23.99810 
1 1 1   20   20   20 o  272.522   11.928  938.079   81.171  1008.43  116.539  871.792  113.124  280.548   16.710  260.461   17.494 20.08646 24.19251 
1 1 1   20   20   21 o  204.094   11.013  527.038   55.919  572.521   81.677  486.908   76.720  211.384   15.583  194.744   15.915 16.63965 22.27361 
1 1 1   20   20   22 o  141.115   10.515  252.521   36.787  301.942   55.600  214.041   49.061  153.323   14.702  128.618   15.594 24.70564 21.43177 
1 1 1   20   20   23 o  162.926   11.662  337.542   47.135  298.022   69.023  372.074   64.521  150.869   18.723  170.005   15.364 -19.13612 24.22009 
1 1 1   20   20   24 o  153.889   15.954  306.665   60.418  204.528  118.644  342.425   70.203  118.434   36.502  162.084   17.629 -43.65037 40.53592 
1 1 1   20   20   25 o  111.599   15.512  162.585   42.061  227.598  109.443  151.318   45.561  124.619   34.154  106.914   17.683 17.70552 38.45986 
1 1 1   20   20   26 f  293.386   18.127  1122.60  132.154  1043.07  206.328  1177.93  172.086  272.101   30.914  296.390   23.442 -24.28958 38.79675 
1 1 1   20   20   27 o  105.004   13.715  143.375   35.104  247.564  111.146  131.830   36.998  128.611   34.066  100.141   15.279 28.47041 37.33504 
1 1 1   20   20   28 o   41.135   14.768   18.780   19.300   19.094   39.531   18.681   22.115   50.800   20.402   42.430   15.718 8.370045 25.75440 
1 1 1   20   20   29 o  211.801   10.436  569.839   55.196  658.642   85.053  505.230   72.547  225.097   15.220  197.224   14.839 27.87286 21.25689 
1 1 1   20   20   30 o   76.176   13.676   76.818   25.060   35.485   44.387   96.157   30.361   58.017   22.100   85.075   14.830 -27.05747 26.61482 
1 1 1   20   20   31 o  104.329   11.400  140.617   29.217  140.551   50.405  140.651   35.855  100.720   20.731  103.389   14.268 -2.668678 25.16657 
1 1 1   20   20   32 o   69.370   13.883   64.295   23.209   68.623   43.099   62.527   27.544   70.573   22.041   67.756   16.445 2.816910 27.50027 
1 1 1   20   20   33 o  194.185   10.784  483.298   52.085  465.081   84.189  494.595   66.296  186.020   18.363  194.919   13.707 -8.899048 22.91507 
1 1 1   20   20   34 o  114.739   14.555  174.280   40.766   0.0000   0.0000  174.280   40.766  ?   ?   114.739   14.555 0.000000 14.55521 
1 1 1   20   21    0 o   95.674   16.349  120.115   37.658  117.354   39.707  144.802  118.751   94.236   17.518  104.447   36.722 -10.21082 40.68615 
1 1 1   20   21    1 o  220.394   17.203  625.676   93.932  689.692  115.805  502.558  160.600  230.077   20.366  188.286   35.458 41.79089 40.89055 
1 1 1   20   21    2 o  109.860   15.639  156.680   41.693  150.156   44.600  201.896  117.420  107.071   17.268  119.372   36.223 -12.30144 40.12837 
1 1 1   20   21    3 o  176.359   13.329  396.135   58.268  376.986   64.251  484.820  138.273  171.523   15.157  188.168   30.468 -16.64510 34.02995 
1 1 1   20   21    4 o  140.494   13.638  252.347   47.245  240.461   51.183  320.810  122.837  136.714   15.252  151.195   33.423 -14.48116 36.73862 
1 1 1   20   21    5 o  104.864   16.091  143.093   40.791  145.524   43.748  126.912  112.879  105.481   17.201  100.364   35.747 5.117546 39.67064 
1 1 1   20   21    6 o  143.545   13.547  263.091   47.985  254.311   51.986  313.639  124.730  140.751   15.023  149.383   34.177 -8.632187 37.33299 
1 1 1   20   21    7 o  243.789   25.260  784.625  151.551  784.625  151.551   0.0000   0.0000  243.789   25.260  ?   ?  0.000000 25.26048 
1 1 1   20   21    8 o  204.564   13.374  531.580   67.942  525.119   76.792  554.867  145.784  202.786   15.277  202.575   29.701 0.2104340 33.39927 
1 1 1   20   21    9 o  116.299   15.070  174.396   42.736  172.475   45.998  186.516  115.546  115.306   16.440  116.070   36.063 -0.7637253 39.63397 
1 1 1   20   21   10 o  383.462   16.386  1871.90  156.908  1950.00  188.006  1692.63  284.838  389.930   19.308  353.575   32.628 36.35434 37.91296 
1 1 1   20   21   11 o  184.314   13.682  432.192   62.524  431.782   70.499  433.704  135.325  183.744   15.510  177.904   31.619 5.839355 35.21831 
1 1 1   20   21   12 o  131.827   14.686  222.966   47.525  218.903   52.133  242.947  115.615  130.179   16.401  131.462   34.707 -1.282715 38.38721 
1 1 1   20   21   13 o  154.153   34.316  332.653  128.700   0.0000   0.0000  332.653  128.700  ?   ?   154.153   34.316 0.000000 34.31557 
1 1 1   20   21   14 o  140.047   19.117  255.683   65.111  255.683   65.111   0.0000   0.0000  140.047   19.117  ?   ?  0.000000 19.11740 
1 1 1   20   21   15 o  156.227   16.342  313.961   62.812  324.157   73.251  285.640  122.084  157.993   18.944  142.412   34.657 15.58116 39.49709 
1 1 1   20   21   16 o  340.008   15.099  1468.43  128.203  1499.26  153.167  1396.29  234.294  341.898   18.003  322.927   29.375 18.97156 34.45319 
1 1 1   20   21   17 o  135.827   14.350  236.514   47.936  216.863   53.118  322.754  111.276  129.356   16.843  153.227   30.155 -23.87131 34.54039 
1 1 1   20   21   18 o  366.090   16.523  1710.15  151.051  1905.37  182.811  1290.07  268.164  385.083   19.011  304.547   35.954 80.53577 40.67098 
1 1 1   20   21   19 o  239.399   13.385  728.497   79.697  724.372   93.787  739.216  151.186  237.865   15.880  235.467   26.153 2.397049 30.59731 
1 1 1   20   21   20 o  271.473   15.011  941.156  101.370  1040.76  121.477  712.736  183.962  284.553   17.176  226.219   33.584 58.33487 37.72163 
1 1 1   20   21   21 o  205.870   13.449  540.280   68.760  513.814   80.247  613.387  133.372  199.811   16.223  214.048   25.451 -14.23726 30.18141 
1 1 1   20   21   22 f  184.857   10.757  432.968   49.441  467.869   72.118  402.021   67.911  190.818   15.262  176.700   15.549 14.11795 21.78773 
1 1 1   20   21   23 f   79.394   16.737   83.885   32.138  146.156  100.706   76.824   33.912  102.549   33.856   75.674   18.174 26.87458 38.42503 
1 1 1   20   21   24 o   98.429   16.310  127.604   38.685  108.458  104.336  130.656   41.654   92.733   34.182   99.281   17.438 -6.548111 38.37262 
1 1 1   20   21   25 o  129.210   14.200  215.949   45.063  280.289  116.384  204.603   48.875  137.958   34.001  125.147   16.006 12.81020 37.58033 
1 1 1   20   21   26 o  396.690   14.137  2016.77  140.044  2047.04  200.568  1987.98  195.629  393.692   20.472  388.185   20.251 5.507507 28.79591 
1 1 1   20   21   27 o  136.265   11.765  238.080   39.643  195.443   60.909  269.415   52.216  119.890   21.116  143.992   14.729 -24.10278 25.74541 
1 1 1   20   21   28 o   38.116   14.304   14.315   18.433 -23.3613   37.766   26.099   21.120   38.147   17.492   46.112   15.511 -7.965042 23.37840 
1 1 1   20   21   29 f  157.009   10.725  315.032   41.799  350.346   65.674  290.985   54.193  163.239   16.330  149.359   14.721 13.87993 21.98592 
1 1 1   20   21   30 o  120.588   10.636  186.524   31.700  218.799   52.580  168.094   39.733  128.297   16.817  113.182   14.383 15.11509 22.12852 
1 1 1   20   21   31 o   80.042   12.873   84.319   24.859   79.704   44.711   86.384   29.908   75.518   22.221   80.200   15.494 -4.681984 27.08983 
1 1 1   20   21   32 o  127.461   10.820  208.876   34.114  210.400   57.568  208.051   42.352  124.290   19.164  126.146   13.663 -1.855759 23.53582 
1 1 1   20   21   33 o  191.370   10.687  469.479   50.869  432.213   82.169  492.637   64.774  178.924   18.665  194.615   13.410 -15.69081 22.98310 
1 1 1   20   21   34 o  246.045   15.223  797.519   93.076   0.0000   0.0000  797.519   93.076  ?   ?   246.045   15.223 0.000000 15.22331 
1 1 1   20   22    0 o  220.572   14.431  623.132   79.052  695.760   89.980  377.437  165.498  232.648   15.578  157.341   41.518 75.30667 44.34408 
1 1 1   20   22    1 o   99.674   17.019  130.863   40.841  134.700   43.353  100.595  121.758  100.916   17.856   94.451   36.447 6.464272 40.58607 
1 1 1   20   22    2 f  246.984   16.140  783.574   98.998  680.337  120.327  999.866  174.167  227.642   21.419  273.472   25.809 -45.83031 33.53896 
1 1 1   20   22    3 o  283.338   13.453  1018.99   95.186  946.168  109.441  1245.16  192.879  271.581   16.211  305.961   25.476 -34.38046 30.19661 
1 1 1   20   22    4 o  163.656   13.679  342.200   55.392  348.626   60.870  311.241  133.605  164.837   14.950  146.761   36.584 18.07520 39.52092 
1 1 1   20   22    5 o  133.139   14.740  228.050   48.183  215.163   52.127  303.670  126.275  128.768   16.597  145.807   35.102 -17.03799 38.82831 
1 1 1   20   22    6 o  119.791   14.527  184.862   42.568  172.391   45.579  269.980  119.078  115.161   16.305  137.720   34.653 -22.55894 38.29756 
1 1 1   20   22    7 o   58.056   19.307   41.449   32.729   41.449   32.729   0.0000   0.0000   58.056   19.307  ?   ?  0.000000 19.30685 
1 1 1   20   22    8 o  227.409   25.304  686.149  141.261  686.149  141.261   0.0000   0.0000  227.409   25.304  ?   ?  0.000000 25.30412 
1 1 1   20   22    9 o  154.954   13.716  306.582   52.528  299.050   57.575  343.973  128.283  152.612   15.314  156.464   33.819 -3.851883 37.12453 
1 1 1   20   22   10 o  178.961   14.509  409.100   64.281  436.755   72.209  303.487  141.113  184.565   15.820  144.983   38.376 39.58215 41.50879 
1 1 1   20   22   11 o  225.203   13.379  644.370   74.904  638.299   85.394  664.626  155.989  223.515   15.393  222.066   28.808 1.448303 32.66274 
1 1 1   20   22   12 o  204.214   30.697  568.783  151.700   0.0000   0.0000  568.783  151.700  ?   ?   204.214   30.697 0.000000 30.69703 
1 1 1   20   22   13 o  374.992   16.516  1793.77  154.657  1890.10  184.962  1569.89  281.969  382.945   19.405  338.332   33.827 44.61331 38.99804 
1 1 1   20   22   14 o  281.512   13.789  1004.56   96.936  951.413  112.595  1156.77  190.544  272.570   16.621  295.471   26.093 -22.90042 30.93689 
1 1 1   20   22   15 o  262.918   16.875  886.399  110.206  859.864  139.667  930.179  179.400  256.597   22.010  263.713   27.654 -7.115356 35.34323 
1 1 1   20   22   16 o  259.472   13.143  854.726   84.884  770.748   97.925  1108.52  170.237  245.353   16.072  290.470   23.675 -45.11761 28.61499 
1 1 1   20   22   17 o  138.711   14.355  246.902   49.004  232.101   53.980  316.250  116.843  133.865   16.497  150.331   32.101 -16.46556 36.09163 
1 1 1   20   22   18 o  185.699   13.856  440.132   63.793  435.797   72.603  454.813  133.608  184.133   15.947  181.667   30.535 2.465866 34.44821 
1 1 1   20   22   19 o  319.291   14.964  1299.04  119.312  1388.06  142.781  1093.02  217.213  328.429   17.472  282.163   31.358 46.26627 35.89676 
1 1 1   20   22   20 f  132.664   14.415  226.597   46.985  228.317   52.435  219.589  105.836  132.667   16.161  123.888   33.434 8.778854 37.13555 
1 1 1   20   22   21 o   79.571   19.095   85.092   37.458  102.183   40.621 -12.0163   96.825   87.270   19.164   67.026   29.576 20.24406 35.24215 
1 1 1   20   22   22 o  215.155   13.714  591.876   73.299  655.244   85.780  420.401  141.109  225.785   15.304  170.876   34.262 54.90987 37.52451 
1 1 1   20   22   23 o   60.738   27.581 -37.3036   90.990 -37.3036   90.990   0.0000   0.0000   60.738   27.581  ?   ?  0.000000 27.58140 
1 1 1   20   22   24 o  101.855   34.485  146.273  104.399  146.273  104.399   0.0000   0.0000  101.855   34.485  ?   ?  0.000000 34.48525 
1 1 1   20   22   25 o  280.522   14.426  1011.72  100.716  1090.27  121.760  841.542  179.228  289.694   16.905  244.458   29.989 45.23643 34.42503 
1 1 1   20   22   26 o  173.334   11.097  383.117   47.782  364.296   70.884  398.792   64.689  166.557   17.295  175.417   14.909 -8.859421 22.83367 
1 1 1   20   22   27 o  167.969   10.591  359.603   44.198  415.342   67.410  317.571   58.537  178.681   15.254  156.107   15.209 22.57359 21.54063 
1 1 1   20   22   28 o   69.658   13.854   64.493   23.250   57.165   41.967   67.739   27.927   65.979   21.859   70.855   16.144 -4.875038 27.17386 
1 1 1   20   22   29 o  112.235   11.374  162.321   31.438  167.432   51.926  159.363   39.501  110.901   19.460  110.064   14.742 0.8367844 24.41334 
1 1 1   20   22   30 o  203.445   10.713  528.994   54.233  573.294   83.908  497.207   71.074  208.778   16.221  195.256   14.684 13.52203 21.88063 
1 1 1   20   22   31 o  102.318   11.737  135.765   29.447  114.633   50.701  146.522   36.174   89.857   22.613  105.521   14.079 -15.66352 26.63772 
1 1 1   20   22   32 o  122.076   10.950  191.983   33.025  180.818   55.741  198.022   40.995  114.383   20.256  123.007   13.572 -8.623802 24.38243 
1 1 1   20   22   33 o  148.929   13.671  290.141   50.277   0.0000   0.0000  290.141   50.277  ?   ?   148.929   13.671 0.000000 13.67148 
1 1 1   20   23    0 o  140.723   13.964  255.436   48.425  275.257   51.988  125.531  133.093  145.968   14.452   99.646   38.194 46.32188 40.83722 
1 1 1   20   23    1 o  103.732   15.898  141.139   39.868  126.801   41.856  281.415  130.920   97.631   17.825  136.994   37.276 -39.36270 41.31865 
1 1 1   20   23    2 o  196.609   13.408  494.268   65.436  508.815   72.640  431.638  150.721  199.019   14.720  171.648   36.297 27.37091 39.16850 
1 1 1   20   23    3 o  329.199   19.411  1410.63  158.864  1456.44  207.840  1346.27  246.379  329.790   25.434  310.828   32.209 18.96155 41.04038 
1 1 1   20   23    4 o  300.258   14.382  1149.07  107.835  1144.12  125.172  1163.33  212.368  298.029   16.888  291.590   29.575 6.439636 34.05684 
1 1 1   20   23    5 o  176.762   13.551  399.274   59.359  387.414   65.259  456.109  142.863  173.588   15.208  179.780   33.039 -6.192169 36.37151 
1 1 1   20   23    6 o  143.445   14.086  264.089   49.806  268.206   54.017  240.723  128.677  144.244   15.226  128.477   37.667 15.76712 40.62833 
1 1 1   20   23    7 o  114.370   15.734  169.935   43.748  188.086   46.967   50.967  120.243  120.337   16.028   84.900   35.024 35.43719 38.51690 
1 1 1   20   23    8 o  523.417   39.284  3910.57  509.721  3910.57  509.721   0.0000   0.0000  523.417   39.284  ?   ?  0.000000 39.28374 
1 1 1   20   23    9 o  184.229   20.425  444.224   92.384  594.064  118.906  216.022  146.741  212.222   22.794  122.862   40.882 89.36034 46.80715 
1 1 1   20   23   10 o  315.352   14.057  1263.32  110.698  1236.06  129.082  1339.10  215.217  310.420   16.714  316.134   27.537 -5.714417 32.21202 
1 1 1   20   23   11 o   81.755   18.903   89.332   37.822  107.521   39.999 -64.2250  116.218   89.935   18.430   66.619   30.598 23.31668 35.71917 
1 1 1   20   23   12 o  184.947   13.645  436.274   62.575  402.918   69.353  582.337  145.128  177.040   15.855  207.012   28.859 -29.97137 32.92748 
1 1 1   20   23   13 o  453.191   17.626  2634.29  199.470  2601.83  239.182  2708.45  361.481  447.583   21.400  444.356   32.809 3.227173 39.17064 
1 1 1   20   23   14 o  166.261   14.424  353.979   59.294  388.287   66.146  213.631  133.785  173.896   15.391  122.121   38.924 51.77470 41.85696 
1 1 1   20   23   15 o  211.390   16.674  575.110   87.304  594.329  105.875  534.276  154.322  213.501   20.095  195.764   32.723 17.73769 38.40038 
1 1 1   20   23   16 o  344.162   17.672  1524.83  151.367  1282.70  197.141  1872.58  236.261  310.427   25.661  375.684   25.332 -65.25656 36.05815 
1 1 1   20   23   17 o  182.790   13.227  426.146   59.967  415.552   67.074  468.341  133.857  179.930   15.067  184.161   30.150 -4.230850 33.70542 
1 1 1   20   23   18 o  229.189   13.194  669.058   75.193  658.661   86.469  701.301  152.280  226.602   15.372  227.596   27.340 -0.9947968 31.36546 
1 1 1   20   23   19 o  301.163   14.854  1157.73  111.708  1287.03  133.094  849.554  205.477  316.100   16.922  244.958   34.550 71.14207 38.47196 
1 1 1   20   23   20 o  169.521   13.926  368.458   58.433  394.513   66.052  274.666  125.323  174.997   15.268  136.650   36.163 38.34763 39.25346 
1 1 1   20   23   21 o  172.753   13.434  382.219   57.497  380.139   65.213  389.481  121.858  171.618   15.380  166.372   30.453 5.246246 34.11638 
1 1 1   20   23   22 o  187.384   15.605  453.717   72.358  453.717   72.358   0.0000   0.0000  187.384   15.605  ?   ?  0.000000 15.60522 
1 1 1   20   23   23 o   98.130   33.440  134.104   98.171  134.104   98.171   0.0000   0.0000   98.130   33.440  ?   ?  0.000000 33.43966 
1 1 1   20   23   24 o   89.916   28.144  112.787   70.227  154.261  100.680   73.487   98.005  103.316   33.839   82.660   32.471 20.65547 46.89777 
1 1 1   20   23   25 o  229.570   13.758  677.812   78.506  709.261   92.441  596.445  148.691  233.704   15.935  204.635   29.987 29.06889 33.95797 
1 1 1   20   23   26 o   63.748   20.008   53.870   35.465   71.340   38.653 -39.1031   89.170   72.260   20.482   58.955   26.976 13.30473 33.87070 
1 1 1   20   23   27 o  122.935   15.399  198.568   46.238  201.949   52.273  186.411   99.126  123.139   17.491  110.828   33.204 12.31009 37.52920 
1 1 1   20   23   28 f  137.611   14.683  247.612   49.676  224.502   57.038  320.208  101.092  129.451   18.143  148.648   28.267 -19.19695 33.58830 
1 1 1   20   23   29 o   51.229   19.499   26.838   34.536   22.225   38.723   44.777   76.356   51.177   20.312   69.559   28.207 -18.38263 34.75938 
1 1 1   20   23   30 o   96.519   12.414  121.501   29.228  103.809   49.317  131.079   36.287   85.520   22.711   99.350   15.102 -13.83020 27.27363 
1 1 1   20   23   31 o  156.148   10.410  312.285   40.358  356.541   65.072  284.621   51.448  164.147   16.081  147.477   14.143 16.66930 21.41608 
1 1 1   20   23   32 o   96.639   11.732  121.556   27.732  134.488   48.744  115.367   33.722   98.023   20.569   92.928   15.046 5.094559 25.48481 
1 1 1   20   23   33 o   35.559   13.827   10.978   17.627   0.0000   0.0000   10.978   17.627  ?   ?    35.559   13.827 0.000000 13.82657 
1 1 1   20   24    0 o  134.727   14.279  235.665   47.308  237.245   50.274  223.447  139.811  134.847   15.194  119.381   39.910 15.46647 42.70455 
1 1 1   20   24    1 o  126.214   14.058  206.536   43.556  193.259   45.928  325.241  137.329  121.568   15.480  145.397   37.558 -23.82978 40.62302 
1 1 1   20   24    2 o  119.815   14.464  186.484   42.400  177.415   44.752  266.018  132.528  116.390   15.806  131.689   38.118 -15.29878 41.26492 
1 1 1   20   24    3 o  411.627   17.878  2198.20  183.770  2307.25  219.325  1941.23  336.672  418.233   21.068  363.098   37.679 55.13428 43.16906 
1 1 1   20   24    4 o  173.637   15.952  390.568   68.397  345.828   77.441  549.241  145.840  161.839   19.559  197.704   30.523 -35.86465 36.25175 
1 1 1   20   24    5 o  461.179   17.700  2748.88  203.846  2752.91  243.802  2739.52  371.603  458.031   21.315  439.786   34.103 18.24454 40.21664 
1 1 1   20   24    6 o  346.686   14.824  1536.42  128.337  1507.14  150.469  1614.59  245.831  341.262   17.718  343.478   28.930 -2.215729 33.92439 
1 1 1   20   24    7 o  187.473   13.746  449.801   63.904  464.886   70.791  383.390  148.534  190.159   15.030  161.033   37.616 29.12570 40.50809 
1 1 1   20   24    8 o  304.888   13.727  1183.14  104.515  1186.92  121.106  1172.10  206.877  303.949   16.012  293.251   28.615 10.69824 32.79021 
1 1 1   20   24    9 o  203.705   25.407  558.495  126.432  558.495  126.432   0.0000   0.0000  203.705   25.407  ?   ?  0.000000 25.40685 
1 1 1   20   24   10 o  101.515   17.268  135.832   42.207  151.603   44.986   19.873  121.983  107.345   17.376   79.677   34.189 27.66725 38.35075 
1 1 1   20   24   11 o  352.017   16.700  1589.84  146.800  1728.81  174.763  1256.77  270.554  365.035   19.240  296.067   37.430 68.96744 42.08575 
1 1 1   20   24   12 o  257.076   15.296  846.947   97.750  846.947   97.750   0.0000   0.0000  257.076   15.296  ?   ?  0.000000 15.29575 
1 1 1   20   24   13 o  111.451   15.765  161.777   42.652  169.785   45.367  100.809  125.173  114.037   16.403   95.107   36.883 18.93020 40.36594 
1 1 1   20   24   14 o  172.538   13.457  380.557   57.524  388.991   63.317  340.693  137.665  174.062   14.704  152.702   36.582 21.35983 39.42698 
1 1 1   20   24   15 o  206.559   13.699  545.059   70.263  588.998   79.521  388.629  150.044  214.301   14.953  162.523   37.701 51.77893 40.55788 
1 1 1   20   24   16 o  143.551   17.410  268.789   61.134  304.831   69.019  137.535  131.712  152.596   18.490  103.368   38.346 49.22824 42.57076 
1 1 1   20   24   17 o  144.878   14.540  270.398   51.895  285.137   56.831  196.426  127.317  148.488   15.558  116.425   38.049 32.06202 41.10651 
1 1 1   20   24   18 o  248.435   14.069  789.530   86.923  796.414  100.151  768.514  174.996  248.545   16.225  235.131   30.524 13.41339 34.56804 
1 1 1   20   24   19 o  406.522   17.621  2135.48  178.883  2286.54  215.510  1800.85  320.751  418.035   20.645  352.574   36.981 65.46085 42.35344 
1 1 1   20   24   20 o  235.482   13.587  709.503   79.559  728.786   91.901  651.825  158.942  237.785   15.563  215.752   30.339 22.03369 34.09771 
1 1 1   20   24   21 o  143.579   14.174  266.071   50.158  272.944   55.446  235.109  117.683  144.964   15.560  125.471   35.800 19.49330 39.03514 
1 1 1   20   24   22 o   58.637   19.384   43.519   33.008   44.798   34.886   32.585  101.988   59.646   19.936   75.378   31.757 -15.73175 37.49603 
1 1 1   20   24   23 o   97.106   32.795  133.330   94.416  133.330   94.416   0.0000   0.0000   97.106   32.795  ?   ?  0.000000 32.79544 
1 1 1   20   24   24 o   90.116   18.436  109.762   40.089  122.187   43.480   39.303  103.542   95.008   18.991   76.410   32.085 18.59815 37.28360 
1 1 1   20   24   25 o  137.270   14.336  245.028   48.416  233.524   53.740  294.613  111.570  133.119   16.521  140.507   32.452 -7.388123 36.41588 
1 1 1   20   24   26 o   32.802   15.120 -20.3360   28.725 -28.0520   30.241   50.880   91.874   32.142   15.049   75.234   30.776 -43.09183 34.25809 
1 1 1   20   24   27 o  143.427   14.876  269.133   52.504  273.951   59.767  252.847  109.891  143.754   16.977  127.808   33.882 15.94607 37.89750 
1 1 1   20   24   28 o  239.593   13.647  743.157   81.313  787.821   97.311  639.822  148.018  245.111   15.986  209.796   29.031 35.31424 33.14124 
1 1 1   20   24   29 o  127.295   15.390  214.060   47.928  227.474   55.529  174.876   94.906  130.262   17.515  106.180   32.634 24.08186 37.03659 
1 1 1   20   24   30 o   74.409   20.373   77.352   38.963   65.902   44.447  115.355   80.977   69.371   22.470   88.619   30.370 -19.24854 37.77854 
1 1 1   20   24   31 o   50.161   19.333   25.087   34.225   28.177   39.359   15.505   69.305   53.246   20.673   60.286   25.816 -7.040882 33.07339 
1 1 1   20   24   32 o   90.656   27.737  123.283   68.651   0.0000   0.0000  123.283   68.651  ?   ?    90.656   27.737 0.000000 27.73726 
1 1 1   20   25    0 o  136.573   13.963  242.934   46.950  228.899   49.563  365.595  146.523  131.979   15.324  150.010   38.817 -18.03110 41.73209 
1 1 1   20   25    1 o  120.375   13.795  188.664   40.719  165.751   42.558  436.821  140.057  112.080   15.631  169.880   34.199 -57.79981 37.60140 
1 1 1   20   25    2 o   79.496   17.709   85.621   34.255   79.141   35.529  171.125  129.060   76.149   18.797  106.844   38.206 -30.69507 42.57966 
1 1 1   20   25    3 o  173.681   13.647  388.941   58.713  404.826   63.713  299.488  151.192  176.833   14.558  136.273   41.048 40.56013 43.55309 
1 1 1   20   25    4 o  245.536   13.890  774.980   84.817  793.170   95.924  709.800  181.582  247.490   15.601  220.051   34.151 27.43871 37.54599 
1 1 1   20   25    5 o  457.617   22.567  2790.22  257.884  2545.81  346.484  3093.77  386.137  421.208   33.210  463.833   33.564 -42.62494 47.21724 
1 1 1   20   25    6 o  195.990   13.246  492.356   64.448  478.504   70.772  559.640  155.975  192.572   14.831  197.033   32.858 -4.461273 36.04973 
1 1 1   20   25    7 o  135.691   13.844  237.549   46.252  219.906   49.167  373.248  136.357  129.989   15.449  158.847   35.292 -28.85747 38.52564 
1 1 1   20   25    8 o   88.480   17.358  104.440   36.984  109.635   38.820   53.399  121.679   90.579   17.797   84.241   35.031 6.337257 39.29298 
1 1 1   20   25    9 o  116.041   15.209  175.348   43.010  172.640   45.565  197.488  130.273  114.765   16.362  115.781   38.520 -1.016724 41.85075 
1 1 1   20   25   11 o  342.825   17.379  1521.33  148.293  1521.33  148.293   0.0000   0.0000  342.825   17.379  ?   ?  0.000000 17.37882 
1 1 1   20   25   12 o  181.194   13.387  420.362   60.143  419.793   66.032  423.132  145.686  180.589   14.772  170.155   35.438 10.43398 38.39297 
1 1 1   20   25   13 o  255.330   13.758  833.660   87.399  833.670   99.388  833.626  183.562  254.422   15.720  244.357   30.764 10.06448 34.54771 
1 1 1   20   25   14 o  181.778   13.562  423.372   61.121  395.026   67.031  563.199  148.875  174.865   15.512  200.336   30.740 -25.47046 34.43217 
1 1 1   20   25   15 o  220.401   13.338  621.018   73.064  621.820   82.041  617.943  160.641  219.856   15.033  209.150   31.755 10.70566 35.13413 
1 1 1   20   25   16 o  209.040   17.546  568.675   90.743  647.713  109.784  398.224  161.221  221.857   20.032  161.268   40.180 60.58922 44.89708 
1 1 1   20   25   17 o  260.142   17.305  878.493  111.775  857.308  138.684  917.765  188.824  253.971   22.087  256.504   30.048 -2.533096 37.29263 
1 1 1   20   25   18 o  158.809   13.541  324.112   53.187  322.284   58.062  333.646  132.601  157.890   14.902  149.582   35.946 8.307846 38.91248 
1 1 1   20   25   19 o  414.905   17.545  2232.79  181.784  2307.41  217.814  2061.53  329.986  418.584   20.838  376.616   35.506 41.96814 41.16910 
1 1 1   20   25   20 o  116.213   15.973  177.132   45.130  203.520   48.686   16.046  120.290  124.687   16.006   77.209   33.541 47.47784 37.16449 
1 1 1   20   25   21 o  113.504   15.420  168.765   42.575  182.018   45.888   86.799  114.118  117.735   16.024   88.231   34.917 29.50489 38.41841 
1 1 1   20   25   22 o  106.955   16.550  151.428   42.776  144.280   46.198  194.386  113.249  103.638   18.531  113.359   35.779 -9.720695 40.29292 
1 1 1   20   25   23 o   86.915   31.991   98.894   91.342   98.894   91.342   0.0000   0.0000   86.915   31.991  ?   ?  0.000000 31.99059 
1 1 1   20   25   24 o   36.990   16.196  -4.5476   28.523   6.9016   29.775 -132.2108   99.424   41.564   17.310   51.935   25.118 -10.37070 30.50527 
1 1 1   20   25   25 o   90.290   18.198  110.715   39.614  117.952   42.845   68.076  103.994   92.931   19.101   81.133   32.912 11.79849 38.05296 
1 1 1   20   25   26 o  194.844   14.855  494.897   71.736  633.563   83.907  118.207  138.295  220.275   15.350   95.063   38.166 125.2121 41.13743 
1 1 1   20   25   27 o   46.394   18.556   16.632   32.556   24.367   34.702 -40.1819   94.049   50.288   19.443   59.690   27.456 -9.402065 33.64283 
1 1 1   20   25   28 o   78.556   20.009   86.023   39.359   88.092   43.082   75.578   96.787   79.174   21.317   80.321   32.039 -1.146835 38.48277 
1 1 1   20   25   29 o   86.839   19.741  105.001   41.838  129.902   46.599   1.4795   95.014   96.720   19.956   65.669   29.121 31.05107 35.30286 
1 1 1   20   25   30 o   41.682   17.759   3.5830   32.500   7.2297   35.608 -14.6098   79.534   44.505   18.758   58.069   26.132 -13.56430 32.16775 
1 1 1   20   25   31 o  198.079   16.154  520.633   79.208  560.112  103.740  465.443  122.656  201.609   20.910  176.602   28.806 25.00726 35.59475 
1 1 1   20   25   32 o   57.960   26.250 -17.1543   81.746   0.0000   0.0000 -17.1543   81.746  ?   ?    57.960   26.250 0.000000 26.24953 
1 1 1   20   26    0 o  124.823   27.744  231.628   84.237  231.628   84.237   0.0000   0.0000  124.823   27.744  ?   ?  0.000000 27.74396 
1 1 1   20   26    1 o  104.237   15.649  144.729   39.476  158.594   41.111 -19.2226  141.371  109.263   15.502   74.629   34.078 34.63430 37.43834 
1 1 1   20   26    2 o   57.157   18.391   42.824   29.813   43.664   30.588   26.897  133.266   57.712   18.635   79.310   34.859 -21.59864 39.52720 
1 1 1   20   26    3 o  159.833   13.029  330.248   51.552  317.843   54.936  421.729  149.185  156.272   14.234  162.993   37.441 -6.721054 40.05494 
1 1 1   20   26    4 o   88.278   17.532  105.302   37.286  114.462   38.866  -0.5224  132.100   92.126   17.535   76.226   34.037 15.89999 38.28784 
1 1 1   20   26    5 o  129.677   14.717  219.520   46.815  214.420   49.719  259.391  139.015  127.673   15.942  126.889   39.578 0.7833099 42.66842 
1 1 1   20   26    6 o   85.675   19.074  100.028   39.760   69.325   41.647  416.052  133.615   71.450   21.549  167.463   33.124 -96.01328 39.51651 
1 1 1   20   26    7 o  166.169   13.316  355.672   54.792  367.021   59.263  288.858  143.793  168.458   14.221  134.602   39.916 33.85616 42.37320 
1 1 1   20   26    8 o  170.764   13.540  375.589   57.266  388.039   62.393  309.036  144.254  173.176   14.563  139.898   39.539 33.27863 42.13536 
1 1 1   20   26    9 o  145.395   38.567  328.737  142.327   0.0000   0.0000  328.737  142.327  ?   ?   145.395   38.567 0.000000 38.56716 
1 1 1   20   26   10 o  268.651   14.006  927.142   93.638  960.256  105.569  804.981  202.766  272.522   15.577  233.141   35.986 39.38167 39.21309 
1 1 1   20   26   11 o   82.724   29.600   87.887   77.481   87.887   77.481   0.0000   0.0000   82.724   29.600  ?   ?  0.000000 29.60032 
1 1 1   20   26   12 o  220.132   13.053  620.553   71.433  596.571   79.322  723.460  164.312  215.028   14.863  226.689   29.744 -11.66083 33.25080 
1 1 1   20   26   13 o   97.259   16.921  125.643   39.604  135.037   41.657   37.346  127.715  100.832   17.159   82.322   35.144 18.50990 39.10871 
1 1 1   20   26   14 o  101.466   16.291  135.957   39.882  148.860   41.951   14.742  128.577  106.254   16.334   79.058   34.506 27.19538 38.17648 
1 1 1   20   26   15 o  206.905   13.762  550.045   70.698  566.370   78.674  481.556  161.141  209.346   15.152  178.577   37.337 30.76947 40.29392 
1 1 1   20   26   16 o  319.589   13.996  1308.52  111.694  1258.18  129.053  1458.79  222.977  311.346   16.659  324.733   27.764 -13.38791 32.37821 
1 1 1   20   26   17 o  218.321   16.496  620.138   89.271  583.678  105.886  709.752  166.001  209.501   20.502  223.446   30.550 -13.94482 36.79227 
1 1 1   20   26   18 o  159.807   14.050  329.878   55.498  323.803   60.172  364.487  143.627  157.764   15.473  153.822   37.687 3.941589 40.73970 
1 1 1   20   26   19 o  255.958   14.209  843.870   90.466  842.701  103.668  847.605  185.252  254.497   16.399  243.048   31.246 11.44951 35.28824 
1 1 1   20   26   20 o  264.872   13.624  902.047   89.809  865.894  102.498  1021.55  186.352  258.101   15.981  269.885   28.061 -11.78430 32.29271 
1 1 1   20   26   21 o  258.489   13.880  861.025   89.265  928.305  103.052  658.827  178.649  267.410   15.499  209.126   35.477 58.28404 38.71470 
1 1 1   20   26   22 o  173.556   13.810  389.707   59.358  413.365   65.964  289.020  136.085  178.247   14.958  134.267   38.557 43.97917 41.35692 
1 1 1   20   26   23 o   68.266   28.768   27.973   83.728   27.973   83.728   0.0000   0.0000   68.266   28.768  ?   ?  0.000000 28.76822 
1 1 1   20   26   24 o   97.613   17.695  128.696   41.544  142.796   44.709   39.535  112.428  102.785   18.079   77.248   32.975 25.53664 37.60596 
1 1 1   20   26   25 o   94.920   17.113  121.539   39.071  107.099   41.763  222.813  110.600   88.094   19.500  118.602   34.964 -30.50810 40.03395 
1 1 1   20   26   26 o  185.466   13.960  447.638   64.181  502.842   72.947  258.465  135.038  196.013   15.017  123.968   39.063 72.04478 41.85031 
1 1 1   20   26   27 o  128.480   15.966  219.278   50.121  261.739   55.544   33.101  116.307  140.428   16.132   75.985   32.995 64.44233 36.72789 
1 1 1   20   26   28 o  197.125   13.568  505.680   66.381  546.744   76.905  385.681  131.466  203.964   15.208  155.598   34.716 48.36629 37.90139 
1 1 1   20   26   29 o  159.265   13.724  331.546   54.049  294.192   61.130  465.359  115.700  148.325   16.800  178.834   26.728 -30.50934 31.56937 
1 1 1   20   26   30 o  145.200   17.085  283.262   60.762  296.152   73.379  255.142  108.382  146.221   20.672  125.438   33.826 20.78323 39.64301 
1 1 1   20   26   31 o   72.311   29.636   54.556   85.394   0.0000   0.0000   54.556   85.394  ?   ?    72.311   29.636 0.000000 29.63560 
1 1 1   20   27    0 o  234.484   14.467  724.574   84.297  777.716   93.933  504.692  191.070  241.905   15.633  159.017   45.694 82.88806 48.29428 
1 1 1   20   27    1 o  160.623   25.423  375.391   98.579  375.391   98.579   0.0000   0.0000  160.623   25.423  ?   ?  0.000000 25.42307 
1 1 1   20   27    2 o   67.705   18.313   63.527   31.709   56.683   32.567  188.383  139.101   64.145   18.990  105.450   39.350 -41.30524 43.69216 
1 1 1   20   27    3 o   87.460   16.791  103.898   35.339  114.957   36.595 -49.0085  136.071   92.225   16.495   69.636   32.378 22.58881 36.33735 
1 1 1   20   27    4 o   89.368   16.508  107.836   35.483  115.488   36.746   2.1548  136.552   92.560   16.503   76.069   34.236 16.49058 38.00602 
1 1 1   20   27    5 o   39.471   16.123   8.9969   25.169   11.881   25.681 -61.2142  126.712   40.956   16.446   66.746   31.104 -25.79026 35.18387 
1 1 1   20   27    6 o   33.171   14.696  -6.5897   24.143  -8.5274   24.590   45.165  127.086   32.900   14.688   80.979   34.826 -48.07872 37.79666 
1 1 1   20   27    7 o   66.038   18.398   59.396   31.467   60.367   32.474   44.456  127.380   66.548   18.743   81.270   34.906 -14.72163 39.61969 
1 1 1   20   27    8 o   60.520   19.819   47.707   34.536   48.371   35.919   39.577  125.671   61.070   20.222   80.443   34.614 -19.37255 40.08796 
1 1 1   20   27    9 o  177.855   13.313  408.289   58.699  418.835   63.651  348.317  151.790  179.703   14.302  145.968   40.312 33.73474 42.77412 
1 1 1   20   27   10 o  283.903   14.341  1041.31  101.341  1105.14  116.129  837.472  207.525  291.290   16.026  234.262   36.678 57.02812 40.02662 
1 1 1   20   27   11 o   71.795   18.175   70.154   32.615   70.154   32.615   0.0000   0.0000   71.795   18.175  ?   ?  0.000000 18.17453 
1 1 1   20   27   12 o   93.450   27.451  124.984   68.282  134.411   78.437   95.481  138.756   96.374   29.675   92.677   37.856 3.696930 48.10073 
1 1 1   20   27   13 o  140.259   14.084  255.297   48.663  254.213   52.111  262.681  136.030  139.528   15.202  128.399   38.994 11.12938 41.85238 
1 1 1   20   27   14 o   96.649   15.679  123.686   36.544  121.397   38.049  150.922  131.242   95.431   16.567  102.609   38.235 -7.177910 41.67004 
1 1 1   20   27   15 o   75.483   17.582   77.235   32.524   82.568   33.616  -0.8613  128.646   78.060   17.658   75.876   33.755 2.184357 38.09498 
1 1 1   20   27   16 o  146.509   13.644  277.806   49.345  273.948   52.615  305.986  142.188  145.062   14.729  138.139   39.329 6.922363 41.99651 
1 1 1   20   27   17 o  194.689   16.280  495.701   78.421  456.407   89.962  620.051  160.037  184.786   19.804  205.570   32.235 -20.78366 37.83280 
1 1 1   20   27   18 o  107.461   18.266  155.296   47.261  169.372   50.750   63.349  129.708  112.108   18.793   85.445   35.896 26.66396 40.51803 
1 1 1   20   27   19 o  190.262   14.099  468.821   66.510  503.081   73.166  305.794  159.603  196.660   15.012  134.749   42.469 61.91043 45.04386 
1 1 1   20   27   20 o  276.535   14.244  989.430   98.031  1031.25  112.644  858.895  199.017  280.964   16.122  238.803   34.363 42.16138 37.95704 
1 1 1   20   27   21 o   99.860   16.497  133.260   39.703  134.993   41.781  117.125  127.493  100.202   17.324   93.987   36.998 6.215782 40.85313 
1 1 1   20   27   22 o  134.982   14.450  238.318   47.952  247.424   51.661  181.661  128.869  137.174   15.344  107.265   38.196 29.91006 41.16328 
1 1 1   20   27   23 o  151.053   28.827  335.159  104.772  335.159  104.772   0.0000   0.0000  151.053   28.827  ?   ?  0.000000 28.82738 
1 1 1   20   27   24 o  150.758   23.017  317.417   83.905  319.150  105.072  314.368  139.391  146.201   29.791  136.880   38.930 9.320816 49.02061 
1 1 1   20   27   25 o  185.538   13.479  447.455   62.027  499.049   69.645  249.592  136.389  195.476   14.368  120.868   39.375 74.60837 41.91476 
1 1 1   20   27   26 o  115.698   15.897  178.554   44.715  187.914   48.421  124.333  116.538  118.278   16.872   92.422   35.659 25.85607 39.44897 
1 1 1   20   27   27 o  114.814   16.455  176.942   45.828  172.793   49.752  200.174  117.730  112.525   18.337  109.642   36.623 2.882950 40.95756 
1 1 1   20   27   28 o  217.427   13.660  616.599   73.790  667.644   84.953  459.759  148.915  225.150   15.199  167.018   36.706 58.13228 39.72816 
1 1 1   20   27   29 o   40.304   17.375   0.8496   31.789   10.635   33.460 -89.8436  101.864   44.377   18.405   55.465   26.454 -11.08801 32.22691 
1 1 1   20   27   30 o  111.327   34.940  208.003  108.155   0.0000   0.0000  208.003  108.155  ?   ?   111.327   34.940 0.000000 34.94030 
1 1 1   20   27   31 o  133.562   34.896  299.452  117.671   0.0000   0.0000  299.452  117.671  ?   ?   133.562   34.896 0.000000 34.89579 
1 1 1   20   28    0 o  141.451   14.556  267.758   50.680  299.192   53.599   2.4919  155.704  149.604   14.530   74.658   34.686 74.94650 37.60695 
1 1 1   20   28    1 o  188.151   13.791  467.547   64.347  504.382   69.450  244.155  171.029  195.010   14.362  108.630   42.823 86.38008 45.16777 
1 1 1   20   28    2 o   56.283   24.044   16.076   59.859   16.076   59.859   0.0000   0.0000   56.283   24.044  ?   ?  0.000000 24.04448 
1 1 1   20   28    3 o  248.875   13.649  811.158   84.503  832.290   93.181  713.302  200.518  250.959   14.936  199.091   41.670 51.86812 44.26559 
1 1 1   20   28    4 o  124.860   14.168  206.015   43.392  202.337   45.303  246.874  151.007  123.316   15.022  115.359   41.319 7.957077 43.96477 
1 1 1   20   28    5 f  164.197   13.265  351.821   53.928  358.125   57.474  305.410  155.936  165.235   14.063  128.436   42.115 36.79865 44.40100 
1 1 1   20   28    6 o  182.093   13.350  431.724   60.282  460.504   65.191  261.955  158.335  187.708   14.009  119.876   42.376 67.83218 44.63139 
1 1 1   20   28    7 o   98.548   18.996  133.701   45.053  127.228   47.496  191.819  142.320   95.382   20.547  107.239   39.845 -11.85642 44.83048 
1 1 1   20   28    8 o   87.040   16.929  102.826   35.471   98.513   36.695  164.230  138.461   84.798   17.891  102.248   39.013 -17.45007 42.91953 
1 1 1   20   28    9 o  123.389   14.517  200.090   43.876  231.607   46.183 -91.9297  140.579  133.027   14.118   67.081   31.729 65.94643 34.72807 
1 1 1   20   28   10 o  151.377   13.764  298.351   51.463  290.530   54.925  354.600  147.294  148.807   14.985  145.703   39.494 3.103745 42.24081 
1 1 1   20   28   11 o   86.521   17.265  101.533   35.995  122.345   37.433 -153.8139  131.117   95.566   16.268   59.569   28.819 35.99687 33.09357 
1 1 1   20   28   12 o   53.820   24.004 -12.3655   65.497 -12.3655   65.497   0.0000   0.0000   53.820   24.004  ?   ?  0.000000 24.00405 
1 1 1   20   28   13 o  108.981   25.866  171.387   69.337  198.653   80.703   94.519  135.505  116.237   28.111   90.454   37.232 25.78262 46.65212 
1 1 1   20   28   14 o  127.876   13.689  213.062   43.033  207.273   45.250  267.840  139.195  125.716   14.691  126.976   39.604 -1.259956 42.24058 
1 1 1   20   28   15 o  165.777   13.448  356.175   55.193  365.098   59.308  298.486  150.804  167.448   14.321  132.659   41.197 34.78900 43.61511 
1 1 1   20   28   16 o   69.155   18.326   65.506   32.157   62.549   33.110  114.688  135.034   67.602   18.885   93.975   37.719 -26.37290 42.18292 
1 1 1   20   28   17 o   69.331   17.879   65.767   31.154   55.819   32.023  241.618  134.640   64.106   18.790  120.931   39.102 -56.82491 43.38214 
1 1 1   20   28   18 o   92.879   18.889  118.172   42.319  121.618   44.579   86.752  134.612   93.958   19.632   88.753   36.872 5.204971 41.77243 
1 1 1   20   28   19 o   50.709   17.678   31.254   27.492   28.514   28.110   91.591  131.917   49.563   17.819   88.987   36.694 -39.42351 40.79189 
1 1 1   20   28   20 o  170.546   13.421  377.632   56.696  382.202   60.994  348.586  153.765  171.086   14.411  142.452   41.008 28.63364 43.46633 
1 1 1   20   28   21 o  168.891   13.621  371.115   56.960  378.516   61.748  328.868  147.520  170.028   14.687  138.524   40.251 31.50385 42.84647 
1 1 1   20   28   22 o   95.503   16.638  123.063   38.238  130.122   39.891   43.126  134.236   98.165   16.882   80.880   35.280 17.28484 39.11119 
1 1 1   20   28   23 f  200.923   13.381  524.662   66.756  571.144   73.970  320.603  154.985  209.126   14.249  133.908   41.794 75.21768 44.15590 
1 1 1   20   28   24 o  175.400   27.048  448.941  114.662  448.941  114.662   0.0000   0.0000  175.400   27.048  ?   ?  0.000000 27.04775 
1 1 1   20   28   25 o   89.782   17.815  110.695   38.532  103.250   40.642  176.848  121.146   85.999   19.388  103.483   37.015 -17.48433 41.78502 
1 1 1   20   28   26 o   68.351   19.503   65.173   34.926   69.682   36.616   19.692  116.288   70.509   19.918   72.911   32.281 -2.402161 37.93086 
1 1 1   20   28   27 o  143.616   14.341  271.947   50.744  276.674   55.245  246.432  128.347  144.189   15.591  118.648   38.158 25.54151 41.22011 
1 1 1   20   28   28 o   74.441   19.614   78.145   36.972   65.296   39.122  185.522  113.093   68.247   20.948  104.847   35.891 -36.60007 41.55673 
1 1 1   20   28   29 o   97.978   17.630  131.980   41.550  133.956   44.966  120.432  108.676   98.009   19.059   89.078   34.416 8.931747 39.34114 
1 1 1   20   28   30 o   94.852   34.909  148.094  108.763   0.0000   0.0000  148.094  108.763  ?   ?    94.852   34.909 0.000000 34.90889 
1 1 1   20   29    0 o   41.011   16.590   13.373   26.343   19.983   26.760 -193.5940  149.740   43.995   17.056   57.028   28.232 -13.03257 32.98368 
1 1 1   20   29    1 o   98.906   16.001  134.901   38.170  132.994   39.314  166.269  159.427   97.796   16.697   92.668   39.405 5.127457 42.79699 
1 1 1   20   29    2 o   60.324   18.418   51.211   30.289   45.843   30.921  178.611  150.627   57.611   18.747   96.080   39.366 -38.46892 43.60230 
1 1 1   20   29    3 o  224.719   25.199  752.789  138.972  752.789  138.972   0.0000   0.0000  224.719   25.199  ?   ?  0.000000 25.19893 
1 1 1   20   29    4 o   73.090   17.979   75.336   32.589   73.529   33.439  109.526  145.447   72.029   18.495   87.349   37.402 -15.32005 41.72528 
1 1 1   20   29    5 o  117.105   15.071  183.978   43.050  181.870   44.940  207.469  150.015  115.964   15.941  104.743   40.445 11.22051 43.47307 
1 1 1   20   29    6 o   87.747   17.159  106.199   36.252  120.759   37.462 -108.3778  143.808   93.992   16.566   64.201   30.838 29.79141 35.00549 
1 1 1   20   29    7 o  238.400   13.746  744.525   81.486  782.749   90.158  574.008  190.424  243.473   14.900  174.768   43.737 68.70474 46.20555 
1 1 1   20   29    8 o   68.847   20.097   66.560   36.701   66.560   36.701   0.0000   0.0000   68.847   20.097  ?   ?  0.000000 20.09711 
1 1 1   20   29    9 o   75.776   17.687   79.517   32.859   78.096   33.876  102.130  135.133   74.902   18.273   88.596   36.886 -13.69375 41.16410 
1 1 1   20   29   10 o   45.910   17.066   22.955   26.116   24.320   26.633 -11.1918  133.186   46.762   17.264   72.591   33.120 -25.82951 37.34930 
1 1 1   20   29   11 o  141.902   13.409  263.200   46.952  265.381   49.656  244.791  144.245  142.122   14.181  117.371   40.516 24.75169 42.92611 
1 1 1   20   29   12 o  188.908   12.580  462.333   59.006  440.557   63.372  604.208  161.756  183.643   13.922  195.871   34.321 -12.22749 37.03772 
1 1 1   20   29   13 o  121.106   27.881  219.053   82.572  219.053   82.572   0.0000   0.0000  121.106   27.881  ?   ?  0.000000 27.88051 
1 1 1   20   29   14 o  132.552   14.100  230.629   45.955  239.745   48.506  150.742  143.589  134.924   14.631   99.086   39.182 35.83865 41.82426 
1 1 1   20   29   15 o   91.536   16.762  113.556   36.903  116.096   38.321   81.123  136.934   92.379   17.246   86.677   36.673 5.702538 40.52516 
1 1 1   20   29   16 o   80.893   17.525   89.779   34.379   82.472   35.461  203.992  140.194   77.127   18.623  109.644   39.742 -32.51686 43.88866 
1 1 1   20   29   17 o  149.852   13.725  293.462   50.790  313.989   54.004  136.259  149.447  154.844   14.122   96.836   39.390 58.00747 41.84514 
1 1 1   20   29   18 o  131.462   13.881  226.646   44.881  211.348   47.040  381.976  149.886  126.300   15.221  149.188   39.580 -22.88754 42.40612 
1 1 1   20   29   19 o  176.076   17.159  414.352   74.487  417.702   83.769  401.698  162.808  175.175   19.480  150.065   41.862 25.10948 46.17207 
1 1 1   20   29   20 o  110.119   15.826  162.229   42.270  172.465   44.292   57.724  141.523  113.480   16.080   83.314   36.287 30.16625 39.68980 
1 1 1   20   29   21 o  146.456   13.734  280.998   49.641  272.727   52.375  354.095  155.701  143.730   14.804  139.979   41.541 3.751251 44.10043 
1 1 1   20   29   22 o   56.306   18.243   42.063   29.297   40.615   30.010   71.429  135.182   55.692   18.486   83.946   36.005 -28.25396 40.47304 
1 1 1   20   29   23 o  110.867   15.136  163.943   40.811  155.839   42.590  254.887  142.668  107.476   16.388  118.679   40.313 -11.20271 43.51615 
1 1 1   20   29   24 o  162.223   27.034  389.586  105.660  389.586  105.660   0.0000   0.0000  162.223   27.034  ?   ?  0.000000 27.03361 
1 1 1   20   29   25 o   75.589   18.789   80.109   35.313   73.586   36.721  160.276  128.733   72.220   19.780   98.372   37.597 -26.15258 42.48277 
1 1 1   20   29   26 o   58.660   19.188   46.237   32.377   46.584   33.593   41.709  121.430   58.995   19.557   76.379   33.430 -17.38453 38.73018 
1 1 1   20   29   27 o  123.992   15.345  205.647   46.499  216.425   49.795  132.229  129.963  126.838   16.082   92.237   37.010 34.60169 40.35361 
1 1 1   20   29   28 o   53.187   19.184   34.672   32.607   37.535   33.991   1.6333  115.465   54.810   19.606   69.056   31.243 -14.24583 36.88543 
1 1 1   20   29   29 o   89.730   35.873  126.021  121.607   0.0000   0.0000  126.021  121.607  ?   ?    89.730   35.873 0.000000 35.87275 
1 1 1   20   30    0 o   55.924   19.733   43.375   34.318   46.015   35.086 -14.9473  164.900   57.188   19.969   69.596   33.321 -12.40804 38.84629 
1 1 1   20   30    1 o   70.929   17.907   72.986   31.722   73.870   32.342   50.558  162.903   71.257   18.131   75.921   35.342 -4.663872 39.72131 
1 1 1   20   30    2 f   34.106   14.920  -1.5920   24.162   2.3457   24.448 -166.9375  158.422   35.652   15.302   59.804   29.500 -24.15177 33.23267 
1 1 1   20   30    3 o   35.866   15.358   2.5942   24.525   1.2884   24.846   52.181  153.104   35.607   15.356   77.013   35.278 -41.40519 38.47544 
1 1 1   20   30    4 o   56.979   23.976   26.106   58.018   26.106   58.018   0.0000   0.0000   56.979   23.976  ?   ?  0.000000 23.97613 
1 1 1   20   30    5 o  119.899   15.459  195.402   45.209  200.370   47.116  137.726  160.524  121.114   15.968   89.724   38.862 31.39000 42.01464 
1 1 1   20   30    6 f  171.838   20.799  420.344   87.433  421.290  101.835  417.690  170.541  167.606   25.103  140.004   43.864 27.60115 50.53979 
1 1 1   20   30    7 o  164.825   14.561  362.295   59.317  362.295   59.317   0.0000   0.0000  164.825   14.561  ?   ?  0.000000 14.56118 
1 1 1   20   30    8 o   57.230   17.828   44.972   28.217   42.607   28.795  102.018  141.432   56.034   18.079   86.021   36.859 -29.98694 41.05449 
1 1 1   20   30    9 o   78.701   19.967   88.685   39.304   99.252   40.884 -40.1230  142.741   83.334   19.917   69.460   32.577 13.87411 38.18366 
1 1 1   20   30   10 o   75.235   17.198   78.761   31.606   62.063   32.366  421.892  146.721   66.440   18.711  154.264   38.271 -87.82407 42.60007 
1 1 1   20   30   11 o   35.078   14.983   1.7105   23.235  -0.7042   23.564   86.377  139.534   34.430   14.901   84.920   36.505 -50.48988 39.42955 
1 1 1   20   30   12 o   56.426   17.613   43.136   27.525   34.712   28.089  246.680  138.074   52.103   17.885  115.529   39.654 -63.42625 43.50057 
1 1 1   20   30   13 o   61.128   18.069   51.567   29.503   61.809   30.235 -152.2612  134.884   66.614   17.826   58.984   28.697 7.629372 33.78289 
1 1 1   20   30   14 o  156.397   25.079  356.614   94.637  356.614   94.637   0.0000   0.0000  156.397   25.079  ?   ?  0.000000 25.07921 
1 1 1   20   30   15 o   81.108   17.129   90.707   33.606   81.618   34.602  241.839  141.093   76.414   18.362  114.867   40.047 -38.45295 44.05603 
1 1 1   20   30   16 o  280.391   13.693  1025.72   95.878  1016.76  107.509  1060.52  211.929  277.036   15.604  257.976   33.703 19.06033 37.13978 
1 1 1   20   30   17 o  183.811   13.438  442.097   61.256  437.837   65.677  470.574  169.816  182.204   14.556  160.249   41.946 21.95549 44.39988 
1 1 1   20   30   18 o   73.748   18.205   75.953   33.325   77.832   34.248   42.492  144.535   74.573   18.484   80.374   35.767 -5.801361 40.26033 
1 1 1   20   30   19 o  164.808   17.651  367.758   71.514  385.420   79.386  291.715  164.722  167.492   19.335  122.109   43.216 45.38258 47.34429 
1 1 1   20   30   20 o   66.117   18.330   60.966   31.317   71.966   32.069 -165.3689  145.468   71.822   17.935   60.713   29.596 11.10914 34.60639 
1 1 1   20   30   21 o  134.053   13.460  236.375   44.450  220.337   46.349  420.161  156.897  128.775   14.675  152.083   40.565 -23.30811 43.13823 
1 1 1   20   30   22 o   51.177   17.965   32.670   28.415   35.983   28.969 -51.3884  145.923   52.947   18.164   69.849   32.817 -16.90232 37.50849 
1 1 1   20   30   23 o   81.278   17.376   91.569   34.199   94.040   35.219   50.763  143.120   82.268   17.671   80.583   35.738 1.684685 39.86782 
1 1 1   20   30   24 f  117.142   28.862  214.195   83.878  214.195   83.878   0.0000   0.0000  117.142   28.862  ?   ?  0.000000 28.86153 
1 1 1   20   30   25 o  171.881   21.955  418.941   92.084  550.673  110.991  128.023  164.941  196.071   23.113   92.647   39.755 103.4246 45.98499 
1 1 1   20   30   26 o   89.616   17.160  110.906   37.003  113.929   38.476   73.703  134.988   90.626   17.636   82.047   35.587 8.578979 39.71735 
1 1 1   20   30   27 o  158.099   14.012  330.785   54.746  342.252   59.060  260.781  145.921  160.231   14.932  115.611   40.701 44.62039 43.35360 
1 1 1   20   30   28 f   95.494   37.916  159.856  134.976   0.0000   0.0000  159.856  134.976  ?   ?    95.494   37.916 0.000000 37.91644 
1 1 1   20   30   29 o   80.430   34.589   78.502  125.365   0.0000   0.0000   78.502  125.365  ?   ?    80.430   34.589 0.000000 34.58941 
1 1 1   20   31    0 o   39.267   18.598 -37.0455   48.608 -29.6590   50.822 -116.3472  166.521   41.409   19.427   60.937   30.094 -19.52816 35.81968 
1 1 1   20   31    1 o   67.150   32.565 -35.5411  170.006   0.0000   0.0000 -35.5411  170.006  ?   ?    67.150   32.565 0.000000 32.56524 
1 1 1   20   31    2 o   50.479   17.701   34.303   27.583   28.924   27.971  223.918  166.074   47.975   17.696   93.769   40.054 -45.79424 43.78879 
1 1 1   20   31    3 f   37.611   15.658   8.1616   24.348   0.8917   24.633  316.815  160.507   35.111   15.216  111.511   42.133 -76.39965 44.79625 
1 1 1   20   31    4 o   62.792   18.095   57.130   29.925   59.712   30.460 -14.3834  160.327   64.114   18.186   69.925   33.306 -5.810898 37.94765 
1 1 1   20   31    5 o  104.050   27.847  179.844   73.782  179.844   73.782   0.0000   0.0000  104.050   27.847  ?   ?  0.000000 27.84688 
1 1 1   20   31    6 o   63.913   18.753   58.982   31.884   58.982   31.884   0.0000   0.0000   63.913   18.753  ?   ?  0.000000 18.75349 
1 1 1   20   31    7 o   85.646   16.605  102.689   34.233   94.959   35.070  258.700  157.556   81.711   17.699  107.126   41.426 -25.41460 45.04827 
1 1 1   20   31    8 f   73.899   17.257   77.342   31.269   72.427   31.921  193.986  155.506   71.195   17.957   97.257   39.941 -26.06203 43.79197 
1 1 1   20   31    9 o  108.875   14.970  160.727   39.623  163.198   41.039  126.751  152.169  109.451   15.444   87.928   37.961 21.52282 40.98220 
1 1 1   20   31   10 o   51.894   18.580   34.019   30.533   36.965   31.249 -28.0920  143.467   53.423   18.832   69.310   32.556 -15.88690 37.61044 
1 1 1   20   31   11 o  124.636   14.474  208.258   44.210  200.253   46.154  297.346  153.972  121.560   15.562  119.238   41.820 2.321358 44.62166 
1 1 1   20   31   12 o  170.645   13.447  384.701   56.836  393.407   60.335  316.124  169.344  172.062   14.168  120.616   43.685 51.44565 45.92479 
1 1 1   20   31   13 o   43.576   16.535   20.042   24.788   18.711   25.172   62.769  142.608   43.119   16.591   80.303   35.641 -37.18317 39.31298 
1 1 1   20   31   14 o   94.799   15.999  122.825   36.526  121.733   37.659  140.156  150.014   94.049   16.644   92.166   38.656 1.882988 42.08677 
1 1 1   20   31   15 o   74.178   26.773   79.213   63.528   79.213   63.528   0.0000   0.0000   74.178   26.773  ?   ?  0.000000 26.77308 
1 1 1   20   31   16 o  149.258   13.191  293.388   48.661  282.788   51.073  397.724  160.240  145.929   14.195  142.320   42.121 3.608932 44.44870 
1 1 1   20   31   17 o  129.802   13.883  223.533   44.304  230.068   46.238  150.272  154.806  131.464   14.316   94.410   39.408 37.05305 41.92755 
1 1 1   20   31   18 o  118.033   14.481  186.113   41.787  186.031   43.378  187.165  155.709  117.674   15.111  100.433   40.436 17.24160 43.16734 
1 1 1   20   31   19 o  154.642   13.446  315.293   51.407  320.895   54.011  261.360  167.587  155.648   14.047  112.614   42.931 43.03407 45.17115 
1 1 1   20   31   20 o  220.889   17.758  664.812   97.128  624.841  111.837  787.491  195.930  209.975   21.639  211.742   38.472 -1.766754 44.13968 
1 1 1   20   31   21 o  141.155   13.051  262.276   45.481  234.383   47.200  624.491  170.090  132.594   14.491  189.802   37.216 -57.20786 39.93804 
1 1 1   20   31   22 o   64.872   18.115   59.145   30.471   58.242   31.085   81.342  154.086   64.362   18.411   84.499   37.297 -20.13763 41.59398 
1 1 1   20   31   23 f   84.294   17.190   98.771   34.957   93.799   35.836  196.418  158.811   81.709   18.045  101.487   40.845 -19.77787 44.65368 
1 1 1   20   31   24 o   80.426   17.382   90.365   33.891   84.707   34.730  203.214  155.104   77.447   18.256  102.544   40.667 -25.09706 44.57720 
1 1 1   20   31   25 o   66.518   26.423   52.662   65.578   52.662   65.578   0.0000   0.0000   66.518   26.423  ?   ?  0.000000 26.42334 
1 1 1   20   31   26 o  106.642   15.487  154.303   40.038  152.908   41.565  172.241  149.044  105.734   16.263   96.654   39.329 9.079941 42.55897 
1 1 1   20   31   27 o   41.277   17.634   4.6782   32.198   0.6349   33.134   73.214  136.416   40.550   17.610   80.370   35.298 -39.81984 39.44658 
1 1 1   20   31   28 f  111.190   40.940  258.247  149.613   0.0000   0.0000  258.247  149.613  ?   ?   111.190   40.940 0.000000 40.93971 
1 1 1   20   32    0 o   41.788   19.412 -18.2015   48.731 -23.9738   50.708   51.532  176.247   41.597   19.480   69.191   33.459 -27.59496 38.71655 
1 1 1   20   32    1 o   59.606   24.227   49.600   56.476   34.731   59.509  184.408  179.184   56.339   24.019   81.611   37.668 -25.27182 44.67428 
1 1 1   20   32    2 o   93.884   40.912  278.928  180.108   0.0000   0.0000  278.928  180.108  ?   ?    93.884   40.912 0.000000 40.91183 
1 1 1   20   32    3 o   86.517   16.765  107.950   34.912  110.832   35.570   32.130  182.440   87.623   16.868   72.009   34.626 15.61334 38.51611 
1 1 1   20   32    4 o   67.845   25.627   71.998   59.368   74.074   63.389   57.174  169.389   68.618   26.345   74.146   34.996 -5.528259 43.80421 
1 1 1   20   32    5 o   97.515   16.155  134.064   37.962  134.064   37.962   0.0000   0.0000   97.515   16.155  ?   ?  0.000000 16.15486 
1 1 1   20   32    6 o   45.148   17.363   22.733   27.562   22.733   27.562   0.0000   0.0000   45.148   17.363  ?   ?  0.000000 17.36324 
1 1 1   20   32    7 o   53.101   18.187   38.632   29.041   49.642   29.531 -284.7365  160.051   58.775   18.227   53.647   26.954 5.128456 32.53792 
1 1 1   20   32    8 o   72.539   18.033   76.273   32.525   76.606   33.234   68.702  158.406   72.553   18.335   77.727   35.708 -5.173103 40.13989 
1 1 1   20   32    9 o   60.870   17.638   53.028   28.361   44.540   28.800  325.210  163.087   56.309   18.072  116.021   42.740 -59.71191 46.40339 
1 1 1   20   32   10 o   83.676   16.375   98.168   32.991   99.917   33.744   60.264  157.108   84.304   16.619   77.929   35.712 6.375671 39.38975 
1 1 1   20   32   11 o   57.187   19.127   45.369   32.114   49.079   32.843 -35.3387  153.183   59.041   19.327   68.787   32.705 -9.746029 37.98883 
1 1 1   20   32   12 o  144.111   14.012  278.412   49.788  290.662   52.248  157.404  164.210  146.978   14.421   91.023   39.365 55.95502 41.92359 
1 1 1   20   32   13 o   44.962   16.716   23.233   25.058   21.120   25.390  102.632  155.624   44.081   16.733   84.134   37.292 -40.05303 40.87380 
1 1 1   20   32   14 o   62.468   17.597   55.286   28.623   57.688   29.148  -9.5608  151.446   63.741   17.688   71.732   33.615 -7.991055 37.98506 
1 1 1   20   32   15 o   98.063   15.259  131.229   36.151  129.975   37.153  153.549  156.754   97.275   15.840   91.774   39.051 5.500191 42.14076 
1 1 1   20   32   16 o   69.282   26.161   66.710   61.857   66.710   61.857   0.0000   0.0000   69.282   26.161  ?   ?  0.000000 26.16113 
1 1 1   20   32   17 o   88.649   16.372  108.820   34.908  113.820   35.842   16.641  153.899   90.674   16.434   75.226   34.787 15.44869 38.47358 
1 1 1   20   32   18 o   64.281   17.782   58.483   29.506   60.888   30.055  -5.5268  155.064   65.531   17.872   73.312   34.245 -7.781166 38.62860 
1 1 1   20   32   19 o  136.182   13.822  247.098   46.352  240.862   48.167  325.170  170.435  133.936   14.640  120.557   43.800 13.37988 46.18209 
1 1 1   20   32   20 o   45.441   16.967   23.300   25.869   18.202   26.210  215.692  161.004   43.249   16.848  102.290   41.141 -59.04134 44.45713 
1 1 1   20   32   21 o   54.901   18.892   40.031   31.349   37.094   31.947  116.231  162.722   53.653   19.027   87.740   38.542 -34.08662 42.98320 
1 1 1   20   32   22 o  103.694   15.290  146.188   38.403  139.544   39.434  268.287  169.045  100.774   16.221  110.333   42.841 -9.558838 45.80916 
1 1 1   20   32   23 o  101.390   15.271  139.892   37.465  136.676   38.423  201.966  168.808   99.836   15.949   99.411   41.294 0.4249268 44.26681 
1 1 1   20   32   24 o   52.807   17.904   37.053   28.141   40.561   28.581 -74.2389  160.998   54.672   18.035   68.210   32.728 -13.53839 37.36826 
1 1 1   20   32   25 o  130.331   25.808  261.206   81.023  261.206   81.023   0.0000   0.0000  130.331   25.808  ?   ?  0.000000 25.80799 
1 1 1   20   32   26 o   44.553   17.369   19.814   27.873   23.526   28.345 -88.8024  153.330   46.347   17.659   65.330   31.497 -18.98212 36.10942 
1 1 1   20   32   27 o   82.119   36.681   88.768  153.574   0.0000   0.0000   88.768  153.574  ?   ?    82.119   36.681 0.000000 36.68130 
1 1 1   20   33    0 o   63.334   24.304   71.045   53.931   87.441   56.125 -126.3947  194.760   68.418   25.093   57.940   29.191 10.47807 38.49376 
1 1 1   20   33    1 o   67.993   25.083   83.581   56.200   84.263   58.874   76.579  188.597   67.943   25.551   68.471   33.449 -0.5280380 42.09126 
1 1 1   20   33    2 o   48.005   21.138   13.134   49.198   24.624   51.129 -130.4246  180.730   51.243   22.064   58.695   29.368 -7.451126 36.73270 
1 1 1   20   33    3 o   62.579   30.869 -56.0761  173.444   0.0000   0.0000 -56.0761  173.444  ?   ?    62.579   30.869 0.000000 30.86882 
1 1 1   20   33    4 o   39.047   16.212   11.082   26.004   11.082   26.004   0.0000   0.0000   39.047   16.212  ?   ?  0.000000 16.21245 
1 1 1   20   33    5 o   58.642   18.455   51.220   30.152   51.730   30.604   34.375  175.957   58.879   18.601   70.484   33.921 -11.60521 38.68623 
1 1 1   20   33    6 o  137.494   14.087  259.824   47.685  269.494   49.403  128.016  182.399  139.807   14.354   79.234   37.054 60.57341 39.73737 
1 1 1   20   33    7 o  118.207   15.110  194.377   43.583  194.377   43.583   0.0000   0.0000  118.207   15.110  ?   ?  0.000000 15.11029 
1 1 1   20   33    8 o   57.910   23.238   41.697   51.235   50.012   53.773 -40.2001  168.756   60.820   24.001   67.055   32.502 -6.235115 40.40310 
1 1 1   20   33    9 o   42.851   16.671   19.361   25.638   19.812   25.955   1.2609  164.438   43.179   16.781   70.226   33.527 -27.04698 37.49230 
1 1 1   20   33   10 f   96.340   15.501  129.312   36.026  131.439   36.856   83.663  170.718   96.978   15.760   78.516   36.424 18.46165 39.68792 
1 1 1   20   33   11 o   75.926   17.279   82.918   32.025   79.747   32.658  162.327  163.431   74.128   17.855   87.717   38.577 -13.58951 42.50868 
1 1 1   20   33   12 o   94.719   19.465  131.295   44.501  132.490   46.215  116.071  164.963   94.657   20.168   82.892   37.438 11.76482 42.52496 
1 1 1   20   33   13 o  136.498   13.976  251.540   46.968  274.505   48.839 -31.1252  171.345  142.711   13.880   70.437   33.788 72.27319 36.52742 
1 1 1   20   33   14 o  130.427   13.640  228.725   43.767  225.556   45.161  277.706  177.548  129.103   14.245  104.905   42.833 24.19793 45.13953 
1 1 1   20   33   15 o  118.949   14.718  192.506   42.785  209.935   44.282 -52.3066  165.960  124.399   14.529   68.746   33.049 55.65327 36.10116 
1 1 1   20   33   16 o   54.300   17.516   40.826   27.031   41.551   27.430   16.429  159.119   54.724   17.644   73.795   34.542 -19.07131 38.78741 
1 1 1   20   33   17 o  167.328   24.124  423.717   97.888  423.717   97.888   0.0000   0.0000  167.328   24.124  ?   ?  0.000000 24.12369 
1 1 1   20   33   18 o   68.964   17.517   67.999   30.226   66.416   30.758  112.590  163.233   68.025   17.874   84.677   37.821 -16.65201 41.83178 
1 1 1   20   33   19 o   65.842   17.631   61.990   29.568   64.034   30.074   2.7665  161.913   66.876   17.723   73.359   34.499 -6.483109 38.78502 
1 1 1   20   33   20 o  139.774   13.711  261.562   47.242  269.875   48.963  149.516  179.759  141.786   14.012   89.676   39.898 52.11066 42.28655 
1 1 1   20   33   21 o   50.430   17.614   33.150   27.300   34.113   27.664  -2.7434  168.898   50.992   17.735   73.800   34.867 -22.80796 39.11856 
1 1 1   20   33   22 o  190.669   13.198  482.907   62.455  462.705   65.581  679.783  204.728  185.707   14.250  174.088   46.292 11.61960 48.43572 
1 1 1   20   33   23 f  125.022   13.558  209.478   41.651  206.889   42.763  257.338  183.857  123.923   14.068  102.986   42.963 20.93745 45.20793 
1 1 1   20   33   24 o   56.459   17.844   44.663   28.162   42.627   28.516  125.043  179.139   55.409   18.002   86.378   39.013 -30.96905 42.96609 
1 1 1   20   33   25 o   49.533   17.645   31.445   27.502   32.161   27.863   4.4201  171.264   49.969   17.764   74.024   35.015 -24.05476 39.26374 
1 1 1   20   34    0 o   82.319   26.754  144.008   62.981  144.008   62.981   0.0000   0.0000   82.319   26.754  ?   ?  0.000000 26.75404 
1 1 1   20   34    1 o  101.680   25.813  197.493   65.660  189.153   69.021  276.946  213.030   96.480   27.378   73.633   35.877 22.84732 45.13020 
1 1 1   20   34    2 o   72.324   25.898  103.429   59.322  125.670   62.170 -122.8070  198.283   78.999   26.612   57.377   28.975 21.62122 39.34183 
1 1 1   20   34    3 o   65.388   24.789   77.536   55.678   77.536   55.678   0.0000   0.0000   65.388   24.789  ?   ?  0.000000 24.78891 
1 1 1   20   34    4 o   77.042   26.205  112.524   60.285  110.745   63.527  128.629  191.137   75.663   26.832   71.759   34.735 3.904305 43.89149 
1 1 1   20   34    5 o   45.291   20.398   1.8031   48.568  -0.3145   50.334   30.408  184.994   45.454   20.591   66.993   32.811 -21.53843 38.73682 
1 1 1   20   34    6 o   62.860   18.055   60.229   29.837   62.046   30.237  -7.1970  184.190   63.747   18.132   65.900   32.370 -2.152100 37.10208 
1 1 1   20   34    7 o   80.535   16.743   95.184   32.573   97.375   33.101   28.112  183.167   81.415   16.837   68.945   33.520 12.46935 37.51090 
1 1 1   20   34    8 o   92.128   16.025  121.789   35.529  121.683   36.061  125.311  207.703   91.877   16.315   77.115   37.046 14.76191 40.47948 
1 1 1   20   34    9 o   65.294   24.190   67.406   52.380   70.878   54.682   28.761  182.449   66.481   24.698   70.757   34.174 -4.275925 42.16491 
1 1 1   20   34   10 o   62.424   17.853   57.762   29.231   54.754   29.636  165.733  177.553   60.755   18.145   82.854   37.967 -22.09869 42.08043 
1 1 1   20   34   11 o  144.154   13.769  283.538   48.961  300.375   50.795   62.918  183.867  148.301   13.877   74.838   35.652 73.46313 38.25788 
1 1 1   20   34   12 o   64.738   17.869   61.727   29.833   62.986   30.298   21.622  171.011   65.333   17.997   71.448   34.133 -6.114937 38.58667 
1 1 1   20   34   13 f  129.541   18.592  243.050   58.420  245.197   61.660  224.218  182.621  129.010   19.769   91.715   40.537 37.29534 45.10067 
1 1 1   20   34   14 o   69.658   17.797   70.988   31.070   71.984   31.592   41.582  171.627   70.065   17.970   74.085   35.046 -4.019882 39.38487 
1 1 1   20   34   15 f   97.130   15.644  131.809   36.655  132.642   37.484  113.584  175.295   97.213   15.997   81.233   37.409 15.97959 40.68597 
1 1 1   20   34   16 o   37.744   15.422   10.313   23.037   8.6873   23.242  101.126  173.701   37.180   15.373   80.376   37.094 -43.19573 40.15361 
1 1 1   20   34   17 o   63.383   19.838   59.257   34.892   59.257   34.892   0.0000   0.0000   63.383   19.838  ?   ?  0.000000 19.83819 
1 1 1   20   34   18 o   45.968   20.354   0.4869   46.248   7.3007   47.952 -90.3220  175.055   48.240   21.063   66.075   32.267 -17.83563 38.53308 
1 1 1   20   34   19 f   53.884   17.219   40.706   26.168   40.268   26.479   59.033  171.176   53.664   17.339   76.977   35.965 -23.31288 39.92665 
1 1 1   20   34   20 o   86.649   16.150  105.612   33.660  104.257   34.289  141.531  176.576   85.816   16.601   85.448   38.650 0.3675919 42.06427 
1 1 1   20   34   21 f  154.297   13.211  319.221   50.411  319.205   52.162  319.440  196.234  153.886   13.718  105.701   44.266 48.18436 46.34246 
1 1 1   20   34   22 o  114.601   18.861  189.512   52.099  179.953   54.065  313.825  194.971  110.434   20.355  105.016   44.058 5.417274 48.53316 
1 1 1   20   34   23 o   38.710   15.770   11.258   24.002   9.8176   24.205   95.912  185.580   38.226   15.735   80.993   37.709 -42.76679 40.86040 
1 1 1   20   34   24 o   80.082   16.464   91.080   31.825   89.385   32.297  147.911  187.023   79.089   16.867   85.631   39.139 -6.542740 42.61860 
1 1 1   20   34   25 o   76.624   36.537   43.246  194.028   0.0000   0.0000   43.246  194.028  ?   ?    76.624   36.537 0.000000 36.53671 
1 1 1   20   35    3 f   58.872   23.251   63.066   50.508   73.056   52.129 -90.1098  204.120   61.871   23.855   56.384   28.578 5.486897 37.22638 
1 1 1   20   35    4 o   92.360   25.204  162.291   59.750  140.398   62.458  398.436  205.129   82.808   26.617   83.019   38.974 -0.2108383 47.19566 
1 1 1   20   35    5 o   51.494   21.702   34.064   47.655   9.9805   49.041  442.333  201.914   46.023   20.631   90.684   41.144 -44.66095 46.02670 
1 1 1   20   35    6 o   76.869   36.895  250.019  204.990   0.0000   0.0000  250.019  204.990  ?   ?    76.869   36.895 0.000000 36.89466 
1 1 1   20   35    7 o   44.534   16.990   25.432   26.260   20.910   26.483  289.945  202.555   42.606   16.834   81.971   38.561 -39.36475 42.07516 
1 1 1   20   35    8 o   71.329   17.596   77.637   31.148   79.521   31.557   6.3650  194.095   72.169   17.655   65.473   32.363 6.695915 36.86592 
1 1 1   20   35    9 o   37.776   15.761   10.107   24.746   14.484   24.942 -264.3500  197.519   39.613   16.100   55.646   28.194 -16.03265 32.46748 
1 1 1   20   35   10 o   66.677   23.902   74.683   50.545   76.859   52.232   42.623  200.484   67.325   24.280   69.605   34.104 -2.279732 41.86428 
1 1 1   20   35   11 o   99.411   15.418  140.872   37.034  141.359   37.760  128.565  189.860   99.326   15.749   75.837   36.156 23.48878 39.43725 
1 1 1   20   35   12 o   68.083   17.138   68.853   29.117   67.045   29.478  141.260  186.559   66.995   17.447   77.760   36.709 -10.76463 40.64468 
1 1 1   20   35   13 o   81.530   16.146   95.968   31.710   92.387   32.183  215.227  185.734   79.568   16.728   85.322   39.000 -5.754158 42.43591 
1 1 1   20   35   14 o   43.852   17.384   20.277   28.330   21.986   28.689 -46.7142  179.650   44.679   17.563   65.717   32.217 -21.03790 36.69312 
1 1 1   20   35   15 o   41.837   16.257   18.983   24.356   17.298   24.581  109.645  180.268   41.168   16.233   77.215   36.340 -36.04718 39.80096 
1 1 1   20   35   16 o   70.982   17.077   73.799   29.901   70.735   30.277  194.883  190.312   69.230   17.503   85.307   39.171 -16.07661 42.90394 
1 1 1   20   35   17 o  110.213   14.301  167.798   38.431  156.589   39.232  433.744  191.096  105.710   15.308  116.093   45.418 -10.38305 47.92842 
1 1 1   20   35   18 o   46.063   16.758   27.097   24.960   27.097   24.960   0.0000   0.0000   46.063   16.758  ?   ?  0.000000 16.75771 
1 1 1   20   35   19 o   74.325   16.964   80.285   30.791   81.333   31.204   41.458  189.904   74.746   17.090   73.735   35.423 1.011101 39.32962 
1 1 1   20   35   20 o   85.195   15.980  103.205   32.748  100.370   33.262  192.899  187.121   83.659   16.508   86.591   39.410 -2.931953 42.72810 
1 1 1   20   35   21 o   48.619   17.044   31.754   25.573   29.084   25.808  176.258  189.875   47.313   17.066   84.923   39.043 -37.61037 42.61044 
1 1 1   20   35   22 o   46.302   16.672   27.673   24.617   30.047   24.823 -113.6436  191.516   47.577   16.783   64.790   32.048 -17.21308 36.17658 
1 1 1   20   35   23 o   62.084   19.937   57.831   35.048   60.716   35.610 -31.3897  198.048   63.417   20.068   69.745   34.114 -6.328098 39.57915 
1 1 1   20   35   24 o   89.495   41.196  242.836  212.263   0.0000   0.0000  242.836  212.263  ?   ?    89.495   41.196 0.000000 41.19569 
1 1 1   20   35   25 o   83.074   39.116  169.678  209.317   0.0000   0.0000  169.678  209.317  ?   ?    83.074   39.116 0.000000 39.11607 
1 1 1   20   36    7 o   63.065   31.552   67.969  208.396   0.0000   0.0000   67.969  208.396  ?   ?    63.065   31.552 0.000000 31.55211 
1 1 1   20   36    8 o   51.705   17.602   41.190   27.201   44.007   27.436 -121.1837  208.293   53.155   17.677   57.419   29.077 -4.264809 34.02879 
1 1 1   20   36    9 o   34.522   14.880   4.6900   23.307   4.9394   23.462 -13.9768  202.990   34.696   14.943   61.933   31.008 -27.23674 34.42058 
1 1 1   20   36   10 o   87.994   16.447  115.677   34.812  115.760   35.302  112.733  209.625   87.796   16.712   68.867   33.964 18.92827 37.85339 
1 1 1   20   36   11 o   49.955   21.141   27.195   45.522   27.195   45.522   0.0000   0.0000   49.955   21.141  ?   ?  0.000000 21.14053 
1 1 1   20   36   12 o   27.979   12.882 -11.1116   20.771  -8.5909   20.889 -231.6531  195.395   28.805   13.132   55.587   28.151 -26.78187 31.06319 
1 1 1   20   36   13 o   45.242   16.680   27.180   24.846   31.838   25.065 -236.4472  188.567   47.641   16.858   55.150   27.898 -7.509239 32.59604 
1 1 1   20   36   14 o   40.374   15.872   17.688   23.433   17.871   23.602   5.0733  196.093   40.524   15.929   66.453   32.788 -25.92895 36.45242 
1 1 1   20   36   15 o   73.209   35.385  111.103  196.529   0.0000   0.0000  111.103  196.529  ?   ?    73.209   35.385 0.000000 35.38516 
1 1 1   20   36   16 o   73.437   16.922   80.152   30.394   82.230   30.756  -6.5317  198.651   74.397   16.935   67.020   33.055 7.377434 37.14079 
1 1 1   20   36   17 o   53.506   17.387   42.032   26.599   44.040   26.842 -67.6525  198.386   54.592   17.439   64.384   31.981 -9.792133 36.42639 
1 1 1   20   36   18 o   44.430   16.494   25.051   24.380   24.566   24.578   54.820  192.531   44.249   16.535   70.926   34.456 -26.67698 38.21766 
1 1 1   20   36   19 o   41.619   18.677  -2.6086   40.309  -2.6086   40.309   0.0000   0.0000   41.619   18.677  ?   ?  0.000000 18.67707 
1 1 1   20   36   20 o   51.509   17.327   38.070   26.353   39.325   26.587 -32.5375  199.355   52.185   17.403   66.813   32.983 -14.62786 37.29293 
1 1 1   20   36   21 o   62.562   17.312   58.425   27.962   61.673   28.241 -103.5748  199.452   64.309   17.236   63.515   31.634 0.7946701 36.02440 
1 1 1   20   36   22 o   45.550   16.595   27.101   24.489   25.187   24.660  163.580  208.251   44.642   16.586   78.898   37.685 -34.25598 41.17315 
1 1 1   20   36   23 o   69.982   34.370   19.265  207.397   0.0000   0.0000   19.265  207.397  ?   ?    69.982   34.370 0.000000 34.36983 
1 1 1   20   36   24 o   88.387   41.374  313.038  228.337   0.0000   0.0000  313.038  228.337  ?   ?    88.387   41.374 0.000000 41.37423 
1 1 1   20   37   12 o   52.158   21.587   38.804   45.891   38.804   45.891   0.0000   0.0000   52.158   21.587  ?   ?  0.000000 21.58679 
1 1 1   20   37   13 o   54.144   17.297   45.482   26.406   47.598   26.625 -81.8692  206.528   55.275   17.334   58.972   29.755 -3.696751 34.43590 
1 1 1   20   37   14 o   63.852   17.501   63.722   28.735   65.811   29.018 -41.7971  206.271   64.906   17.503   61.056   30.665 3.850079 35.30890 
1 1 1   20   37   15 o   36.067   15.000   9.8630   22.315   9.2221   22.450   63.046  204.509   35.872   14.993   66.066   32.757 -30.19489 36.02547 
1 1 1   20   37   16 o   47.368   18.124   30.332   29.935   27.894   30.250  145.527  207.908   46.419   18.095   70.925   34.747 -24.50664 39.17630 
1 1 1   20   37   17 o   46.697   16.802   30.586   24.997   30.668   25.180   25.024  207.493   46.766   16.859   65.497   32.563 -18.73191 36.66854 
1 1 1   20   37   18 o  150.371   13.362  315.295   49.650  301.664   50.838  596.897  231.067  146.222   14.097  104.086   45.821 42.13561 47.94065 
1 1 1   20   37   19 o   77.968   16.430   90.600   30.979   87.405   31.308  240.267  214.285   76.184   16.899   77.979   37.504 -1.794197 41.13534 
1 1 1   21  -19    0 o   41.909   19.243 -22.8736   45.926 -125.8158  155.870 -13.0871   48.059   64.710   31.334   44.919   20.255 19.79131 37.31050 
1 1 1   21  -19    1 o   90.047   39.683  122.676  173.745  122.676  173.745   0.0000   0.0000   90.047   39.683  ?   ?  0.000000 39.68259 
1 1 1   21  -18    0 o   53.557   22.039   21.433   47.466   62.754  157.313   17.295   49.787   84.309   37.426   53.256   22.299 31.05373 43.56503 
1 1 1   21  -18    1 o   58.129   23.209   33.731   50.832   7.5163  156.663   36.815   53.740   77.261   35.500   59.872   23.877 17.38939 42.78254 
1 1 1   21  -18    2 o   67.003   24.788   59.562   54.966 -20.8529  161.404   70.111   58.461   74.570   34.868   70.940   25.671 3.630455 43.29856 
1 1 1   21  -18    3 o   84.492   25.840  109.449   59.588   61.160  171.523  116.077   63.546   83.279   37.837   86.508   26.722 -3.229042 46.32208 
1 1 1   21  -17    0 o   72.757   24.293   73.738   51.799   93.024  152.199   71.211   55.088   89.654   38.321   72.141   25.031 17.51295 45.77183 
1 1 1   21  -17    1 o   65.967   23.965   56.063   51.019   31.880  149.957   59.229   54.255   80.510   36.084   67.622   24.690 12.88834 43.72278 
1 1 1   21  -17    2 o   76.860   24.815   85.599   54.240   66.446  153.708   88.323   57.969   84.664   37.317   77.927   25.684 6.736526 45.30130 
1 1 1   21  -17    3 o   59.495   23.676   36.213   52.737   70.830  158.230   31.887   55.935   84.985   37.639   59.180   24.088 25.80571 44.68734 
1 1 1   21  -17    4 o   58.392   23.498   33.371   52.556  196.729  159.088   13.359   55.682  102.448   41.004   54.135   23.160 48.31276 47.09310 
1 1 1   21  -17    5 o   73.522   25.651   78.665   57.889  244.165  165.437   55.574   61.796  108.838   42.348   66.684   25.900 42.15412 49.63999 
1 1 1   21  -17    6 o   80.120   36.620   47.463  163.723   47.463  163.723   0.0000   0.0000   80.120   36.620  ?   ?  0.000000 36.61966 
1 1 1   21  -16    0 o   71.734   23.907   69.961   50.173   58.942  139.602   71.595   53.766   84.718   36.468   72.742   24.747 11.97546 44.07163 
1 1 1   21  -16    1 o   96.088   23.938  132.943   57.227  117.219  150.501  135.600   61.874   94.383   39.080   96.422   25.359 -2.038185 46.58668 
1 1 1   21  -16    2 o   63.597   23.492   49.416   49.330  123.417  148.092   40.181   52.318   94.310   38.883   61.295   23.824 33.01517 45.60097 
1 1 1   21  -16    3 o   63.304   23.886   47.732   51.541   13.550  149.509   52.343   54.907   78.490   35.528   65.552   24.671 12.93819 43.25368 
1 1 1   21  -16    4 o   85.007   24.991  106.825   56.573  225.773  155.118   88.575   60.758  110.511   41.491   78.178   26.309 32.33324 49.12913 
1 1 1   21  -16    5 o   84.724   25.808  107.604   59.520  103.848  158.955  108.216   64.190   89.526   38.724   84.667   26.959 4.859184 47.18429 
1 1 1   21  -16    6 o   72.891   25.596   75.740   57.686 -68.4717  159.699   97.379   61.863   70.348   33.432   80.539   26.532 -10.19108 42.68055 
1 1 1   21  -16    7 o   57.865   23.679   30.419   54.413 -82.7743  158.819   45.472   57.918   68.356   32.720   63.009   24.894 5.347713 41.11382 
1 1 1   21  -16    8 o   90.592   26.556  128.762   63.964 -40.1010  167.786  157.476   69.189   72.483   34.394   99.879   27.066 -27.39650 43.76659 
1 1 1   21  -15    0 o  147.865   12.778  282.111   46.719  276.264   74.774  285.856   59.837  142.149   21.757  147.276   16.557 -5.127151 27.34051 
1 1 1   21  -15    1 o   64.470   19.402   56.190   33.790   52.533   57.088   58.161   41.922   67.147   25.179   66.249   21.842 0.8981628 33.33218 
1 1 1   21  -15    2 o   67.773   19.236   63.028   34.069 -14.7512   56.247  108.101   42.818   49.369   22.115   88.353   19.887 -38.98421 29.74147 
1 1 1   21  -15    3 o  142.237   20.563  277.570   70.919  278.560  157.932  277.320   79.371  125.232   42.415  140.349   23.476 -15.11658 48.47825 
1 1 1   21  -15    4 o   83.597   25.156  101.340   56.806 -17.5820  146.261  122.466   61.645   75.137   34.442   91.262   25.866 -16.12572 43.07273 
1 1 1   21  -15    5 o   44.343   20.059 -17.2347   47.569   21.049  144.735 -21.8708   50.367   78.652   35.337   44.792   20.410 33.86024 40.80746 
1 1 1   21  -15    6 o   84.309   25.572  105.291   58.528   27.675  153.159  118.564   63.335   80.099   36.134   88.860   26.523 -8.761215 44.82359 
1 1 1   21  -15    7 o  108.998   24.657  175.839   65.544  136.422  160.173  183.767   71.833   94.256   39.759  110.243   26.435 -15.98725 47.74474 
1 1 1   21  -15    8 o   99.479   25.440  149.712   63.447  181.055  161.711  144.010   68.978   99.933   40.849   96.336   27.381 3.597427 49.17661 
1 1 1   21  -15    9 o   61.704   24.311   43.343   55.089  190.356  167.061   25.407   58.353   99.819   41.240   57.696   24.148 42.12303 47.78969 
1 1 1   21  -15   10 o   78.116   35.882   34.560  159.892   34.560  159.892   0.0000   0.0000   78.116   35.882  ?   ?  0.000000 35.88211 
1 1 1   21  -14    0 o  218.135   12.011  607.690   65.176  548.567   99.783  651.683   86.074  203.296   19.911  224.300   15.462 -21.00417 25.20915 
1 1 1   21  -14    1 o  130.356   13.443  219.911   43.132  181.407   70.122  243.344   54.704  113.386   25.396  136.064   16.433 -22.67776 30.24923 
1 1 1   21  -14    2 o   85.026   17.659   97.785   36.268   91.970   59.535  101.216   45.734   81.413   25.968   85.400   21.469 -3.987053 33.69318 
1 1 1   21  -14    3 o  214.847   12.056  592.167   64.423  539.576   99.120  630.633   84.770  200.389   20.078  219.825   15.543 -19.43591 25.39081 
1 1 1   21  -14    4 o   94.047   16.639  118.873   37.648  130.482   63.215  112.492   46.866   94.902   25.935   89.703   21.248 5.199066 33.52805 
1 1 1   21  -14    5 o   65.095   19.407   57.934   33.924   72.590   57.149   49.959   42.155   73.378   25.493   62.562   21.886 10.81561 33.59835 
1 1 1   21  -14    6 o   65.643   24.192   53.346   52.261  155.184  146.250   38.439   55.956   99.943   39.536   61.853   24.459 38.09007 46.49031 
1 1 1   21  -14    7 o   77.329   25.186   85.651   55.803  -1.1663  150.393   99.512   60.092   77.070   35.176   82.464   26.066 -5.393982 43.78101 
1 1 1   21  -14    8 o  115.793   26.026  199.720   73.425   0.0000   0.0000  199.720   73.425  ?   ?   115.793   26.026 0.000000 26.02636 
1 1 1   21  -14    9 o  106.054   25.589  168.758   66.992  212.427  162.645  159.835   73.518  106.321   41.809  101.528   28.061 4.792313 50.35319 
1 1 1   21  -14   10 o  112.306   24.765  188.261   67.586  126.303  162.771  201.168   74.294   91.609   39.406  114.902   26.442 -23.29277 47.45492 
1 1 1   21  -14   11 o   43.076   19.854 -25.5053   49.516 -36.6001  156.176 -24.2654   52.210   71.496   33.702   44.564   20.483 26.93167 39.43805 
1 1 1   21  -14   12 o   96.175   26.785  146.489   66.710   78.391  173.853  158.247   72.239   83.708   38.056   99.088   27.971 -15.38047 47.22926 
1 1 1   21  -13    0 o  105.432   15.229  145.281   38.932  125.103   63.217  157.609   49.415   94.748   25.953  108.694   18.891 -13.94563 32.10074 
1 1 1   21  -13    1 o  123.493   13.788  197.202   41.793  215.732   67.212  185.521   53.365  126.071   22.158  118.057   18.727 8.013435 29.01137 
1 1 1   21  -13    2 o  182.977   12.182  428.137   55.345  370.367   85.933  469.087   72.349  166.197   21.187  190.274   15.357 -24.07724 26.16787 
1 1 1   21  -13    3 o  213.818   11.922  584.213   63.401  558.853   97.981  602.479   83.157  205.343   19.336  215.436   15.562 -10.09311 24.82007 
1 1 1   21  -13    4 o  251.684   12.057  808.750   75.779  786.588  115.164  825.673  100.635  243.587   19.085  251.695   16.095 -8.108444 24.96634 
1 1 1   21  -13    5 o  161.993   12.244  337.629   49.163  320.771   78.528  348.496   63.048  153.603   21.025  163.088   15.674 -9.485733 26.22415 
1 1 1   21  -13    6 o   98.901   15.719  130.259   37.522  116.288   62.410  138.168   46.956   89.706   26.213  100.403   19.430 -10.69769 32.62941 
1 1 1   21  -13    7 o   68.761   19.152   65.257   34.106   49.616   57.246   73.865   42.465   65.805   25.090   72.788   21.716 -6.982872 33.18286 
1 1 1   21  -13    8 o   69.735   24.840   64.148   54.504 -48.7696  149.979   81.330   58.504   72.611   33.838   76.208   25.815 -3.597374 42.56073 
1 1 1   21  -13    9 o   80.541   35.837   36.851  145.059   36.851  145.059   0.0000   0.0000   80.541   35.837  ?   ?  0.000000 35.83670 
1 1 1   21  -13   10 o   51.963   22.218   9.8861   51.187   30.893  146.341   6.9578   54.638   79.197   35.560   52.617   22.731 26.57969 42.20485 
1 1 1   21  -13   11 o  110.414   24.752  180.977   66.559  113.711  160.757  194.894   73.121   90.679   39.083  113.558   26.302 -22.87954 47.10931 
1 1 1   21  -13   12 o   98.958   25.483  148.904   63.353 -21.4354  161.523  179.874   68.872   74.399   34.817  108.830   25.745 -34.43086 43.30175 
1 1 1   21  -13   13 o   60.178   24.402   37.002   57.146  179.655  162.704   16.928   61.035   97.257   40.482   56.313   24.174 40.94455 47.15017 
1 1 1   21  -13   14 o  114.414   25.872  203.510   72.186   83.568  176.251  227.685   79.127   83.772   38.174  120.139   27.029 -36.36686 46.77446 
1 1 1   21  -12    0 o   59.778   22.648   35.769   46.458   24.110   59.403   54.131   74.548   60.948   24.818   73.685   28.495 -12.73701 37.78730 
1 1 1   21  -12    1 o  194.005   16.358  486.713   78.508  456.242  105.801  524.049  117.113  184.489   23.499  197.460   24.261 -12.97046 33.77551 
1 1 1   21  -12    2 o  245.335   16.621  778.719  101.228  687.505  138.551  883.162  148.258  225.551   25.021  257.116   23.345 -31.56535 34.22028 
1 1 1   21  -12    3 o   98.549   16.135  128.080   38.332  167.789   62.606  104.267   48.482  110.427   23.429   87.133   22.214 23.29398 32.28615 
1 1 1   21  -12    4 o  338.591   13.254  1464.85  112.063  1456.88  165.175  1471.65  152.539  332.367   19.994  335.517   18.275 -3.149567 27.08760 
1 1 1   21  -12    5 f   90.868   16.553  110.090   36.178   77.061   59.456  129.509   45.589   76.430   26.024   97.757   19.360 -21.32781 32.43502 
1 1 1   21  -12    6 o  166.585   12.379  356.541   51.127  297.181   80.547  396.596   66.166  147.234   22.632  174.461   15.343 -27.22693 27.34275 
1 1 1   21  -12    7 o   67.066   19.651   61.221   35.032 -22.8311   63.066   98.730   42.129   51.044   23.092   84.488   20.235 -33.44400 30.70377 
1 1 1   21  -12    8 o  156.920   15.259  323.150   59.036  228.096   77.775  452.364   90.681  126.140   25.566  182.769   20.206 -56.62894 32.58732 
1 1 1   21  -12    9 o   85.076   17.332   98.706   35.571  114.451   59.447   89.925   44.396   88.720   25.486   79.809   21.703 8.910568 33.47452 
1 1 1   21  -12   10 o  166.945   14.967  367.107   61.736  262.539  165.547  383.998   66.535  119.215   43.190  170.252   15.831 -51.03669 45.99982 
1 1 1   21  -12   11 o   53.300   22.284   16.847   49.617  123.270  143.059   2.2946   52.901   92.666   38.212   50.974   22.194 41.69288 44.18953 
1 1 1   21  -12   12 o   42.386   19.561 -28.0954   48.299 -201.6665  141.446  -5.1858   51.388   57.305   28.191   48.463   21.458 8.841675 35.42865 
1 1 1   21  -12   13 o   59.574   23.664   37.073   52.594  139.025  151.964   23.199   56.059   93.431   39.025   56.775   23.708 36.65586 45.66220 
1 1 1   21  -12   14 o  103.967   25.776  165.390   66.589  287.274  170.732  143.523   72.316  115.936   43.529   95.041   28.335 20.89536 51.93883 
1 1 1   21  -12   15 o   90.078   26.517  127.706   63.657  315.609  173.000   98.280   68.460  118.106   43.920   79.590   27.887 38.51595 52.02602 
1 1 1   21  -12   16 o   53.336   23.115   12.531   56.855 -169.7064  168.708   35.879   60.387   62.389   30.711   59.961   24.785 2.428192 39.46493 
1 1 1   21  -11    0 o  237.800   11.426  714.318   67.854  786.064  102.513  658.377   90.521  247.321   16.696  226.480   16.111 20.84108 23.20165 
1 1 1   21  -11    1 o  114.557   14.134  169.313   39.575  141.784   62.677  187.565   51.034  101.712   24.882  119.665   17.604 -17.95307 30.47958 
1 1 1   21  -11    2 f  259.215   12.017  851.100   77.785  781.808  115.569  908.488  105.174  245.164   19.026  265.950   15.910 -20.78552 24.80123 
1 1 1   21  -11    3 o  161.399   12.285  332.314   49.144  324.425   77.424  337.637   63.597  156.667   20.265  161.531   15.976 -4.863449 25.80500 
1 1 1   21  -11    4 o  195.706   16.019  495.239   77.602  385.988  105.271  625.263  114.844  167.970   25.932  217.241   21.450 -49.27087 33.65402 
1 1 1   21  -11    5 o  263.317   16.601  898.307  108.602  761.957  150.066  1048.25  157.367  236.432   25.838  280.245   22.681 -43.81317 34.38057 
1 1 1   21  -11    6 o  152.417   12.536  298.007   47.290  211.230   74.562  356.405   61.167  123.171   25.093  165.892   14.925 -42.72096 29.19638 
1 1 1   21  -11    7 o  142.042   15.373  263.240   53.658   45.533  147.073  296.667   57.630   86.696   37.374  150.817   15.524 -64.12137 40.47020 
1 1 1   21  -11    8 o   55.632   21.323   31.077   41.483   63.360   53.863 -15.9874   65.036   70.415   24.733   53.293   23.833 17.12212 34.34709 
1 1 1   21  -11    9 o   92.883   16.365  115.547   36.571  139.394   60.347  101.706   45.975   98.833   24.559   85.304   21.570 13.52914 32.68644 
1 1 1   21  -11   10 o  214.699   11.953  592.674   63.831  482.766   98.437  672.423   83.850  187.847   21.365  226.966   14.877 -39.11926 26.03390 
1 1 1   21  -11   11 o   84.793   17.366   98.231   35.534   85.538   59.941  105.108   44.122   77.937   26.132   86.486   20.705 -8.548882 33.33982 
1 1 1   21  -11   12 o  131.032   13.372  224.798   43.140  167.839   69.989  259.696   54.784  106.166   26.486  139.591   16.005 -33.42468 30.94679 
1 1 1   21  -11   13 o  102.430   24.907  155.032   63.093   22.139  150.703  183.275   69.475   79.117   35.753  111.170   25.560 -32.05278 43.95032 
1 1 1   21  -11   14 o  133.349   22.517  254.523   72.311  202.266  162.204  267.485   80.783  104.634   41.559  134.934   24.892 -30.29946 48.44310 
1 1 1   21  -11   15 o  124.395   23.589  226.697   70.593  340.125  166.831  201.958   77.912  128.301   43.593  114.069   27.642 14.23185 51.61769 
1 1 1   21  -11   16 o  116.538   24.956  205.372   70.437  209.635  175.283  204.551   76.921  101.481   42.110  114.279   27.324 -12.79743 50.19809 
1 1 1   21  -11   17 o  106.401   26.528  178.782   70.242  183.136  179.460  177.994   76.331   95.311   41.186  104.391   28.487 -9.079498 50.07816 
1 1 1   21  -11   18 o   76.027   26.570   91.098   62.127  301.201  171.524   59.371   66.653  110.728   43.110   66.855   26.613 43.87290 50.66274 
1 1 1   21  -10    0 o   84.462   17.181   94.263   35.003  106.666   56.148   86.378   44.767   88.911   24.503   80.333   21.772 8.577713 32.77821 
1 1 1   21  -10    1 o  112.887   14.292  164.231   39.388  119.530   62.185  194.179   50.900   93.753   25.766  122.125   17.164 -28.37184 30.95909 
1 1 1   21  -10    2 o  162.765   12.230  336.922   49.348  329.565   76.446  342.177   64.613  158.700   19.715  162.972   16.087 -4.271759 25.44480 
1 1 1   21  -10    3 f  140.326   12.588  251.398   43.643  290.357   68.696  225.030   56.514  148.976   18.890  131.276   17.690 17.70042 25.87968 
1 1 1   21  -10    4 o  171.947   11.861  376.020   50.617  386.711   79.240  368.651   65.788  172.100   18.741  169.074   15.764 3.025955 24.48903 
1 1 1   21  -10    5 o  325.192   12.727  1343.24  103.348  1334.37  152.496  1350.78  140.547  320.181   19.161  323.253   17.476 -3.071899 25.93350 
1 1 1   21  -10    6 f   97.758   16.938  126.440   39.851  100.525   69.686  139.033   48.577   86.307   28.147  101.684   19.843 -15.37623 34.43821 
1 1 1   21  -10    7 o  108.553   26.715  165.976   71.926  165.976   71.926   0.0000   0.0000  108.553   26.715  ?   ?  0.000000 26.71468 
1 1 1   21  -10    8 o  124.058   18.297  204.570   54.982  201.446   75.271  208.144   80.507  119.735   25.925  121.105   27.276 -1.370445 37.63123 
1 1 1   21  -10    9 o  131.012   13.126  221.826   42.367  172.090   67.828  253.643   54.251  110.416   25.160  139.130   15.901 -28.71317 29.76364 
1 1 1   21  -10   10 o  149.126   12.340  286.371   45.542  246.971   72.910  311.577   58.317  133.746   22.638  154.358   15.332 -20.61182 27.34140 
1 1 1   21  -10   11 o   57.782   19.013   43.325   31.770   64.809   54.221   32.092   39.205   70.558   24.813   54.969   20.810 15.58894 32.38443 
1 1 1   21  -10   12 o   58.077   19.176   44.056   32.308   36.706   54.746   47.983   40.019   61.230   24.199   61.317   21.331 -0.8692551E-01 32.25865 
1 1 1   21  -10   13 o   89.937   16.579  109.655   35.864  161.124   60.910   82.343   44.370  105.844   23.642   76.240   22.052 29.60397 32.32977 
1 1 1   21  -10   14 o   73.423   18.373   75.096   33.606  104.525   57.767   60.041   41.317   84.307   25.368   66.170   21.677 18.13629 33.36823 
1 1 1   21  -10   15 o   54.488   22.611   20.605   50.539 -48.9337  144.478   30.300   53.947   70.041   32.826   58.314   23.687 11.72692 40.47985 
1 1 1   21  -10   16 o  146.621   22.177  306.894   78.661  228.003  171.032  328.058   88.587  107.672   42.703  149.645   24.558 -41.97298 49.26138 
1 1 1   21  -10   17 o  119.611   24.911  214.828   71.989  133.058  162.593  234.766   80.287   91.393   39.349  123.569   26.791 -32.17587 47.60312 
1 1 1   21  -10   18 o  119.499   24.230  215.170   69.830  126.403  169.303  233.367   76.654   88.886   39.171  123.237   25.739 -34.35114 46.87080 
1 1 1   21  -10   19 o   94.320   26.335  142.647   64.401  106.094  170.704  148.713   69.540   84.459   38.120   95.277   27.621 -10.81804 47.07532 
1 1 1   21  -10   20 o   84.646   26.889  118.628   63.882   22.097  176.543  133.172   68.526   74.810   35.435   88.866   27.799 -14.05605 45.03827 
1 1 1   21   -9    0 o  103.022   14.770  137.158   36.911  125.381   58.442  144.974   47.608   96.393   24.289  104.959   18.857 -8.565659 30.74951 
1 1 1   21   -9    1 o  167.381   11.812  355.104   49.056  365.767   75.313  347.246   64.652  168.202   18.222  164.509   15.938 3.693176 24.20825 
1 1 1   21   -9    2 o   87.040   17.064   99.872   35.763  108.871   57.826   94.299   45.510   89.828   24.909   83.845   21.602 5.983101 32.97169 
1 1 1   21   -9    3 o  166.152   12.049  350.539   49.652  384.827   77.039  326.176   64.938  172.374   18.171  159.046   16.595 13.32828 24.60855 
1 1 1   21   -9    4 o  156.804   12.279  312.848   47.697  297.704   74.100  323.562   62.326  150.561   20.220  158.482   15.966 -7.921631 25.76308 
1 1 1   21   -9    5 o  287.964   12.324  1050.04   88.619  1012.00  131.676  1081.54  119.815  279.458   18.981  290.169   16.604 -10.71091 25.21871 
1 1 1   21   -9    6 o  134.013   15.636  232.598   51.341  244.740  139.375  230.692   55.225  128.535   39.554  133.024   17.015 -4.489594 43.05820 
1 1 1   21   -9    7 o  131.473   13.413  222.173   43.419  222.559   67.803  221.904   56.531  128.686   21.883  129.988   17.889 -1.301895 28.26450 
1 1 1   21   -9    8 o  118.203   13.692  180.522   39.668  138.440   63.134  207.972   50.990   99.734   25.308  126.048   16.604 -26.31389 30.26817 
1 1 1   21   -9    9 o  153.174   16.476  306.286   62.032  275.724   86.398  338.803   89.118  141.149   25.448  157.964   23.291 -16.81444 34.49731 
1 1 1   21   -9   10 o   55.801   21.281   31.258   41.187   36.110   55.765   25.434   61.093   62.329   24.490   61.169   25.068 1.160446 35.04515 
1 1 1   21   -9   11 o  209.970   11.710  563.855   61.156  550.803   95.264  573.005   79.761  203.684   18.946  209.922   15.321 -6.238007 24.36604 
1 1 1   21   -9   12 o  154.738   12.170  308.274   46.647  323.406   74.563  298.543   59.794  154.875   19.727  150.557   16.156 4.317596 25.49888 
1 1 1   21   -9   13 o  113.838   14.106  170.064   39.240  178.202   65.053  165.410   49.199  111.884   24.003  110.400   18.500 1.484230 30.30474 
1 1 1   21   -9   14 o  201.194   11.845  521.487   59.248  509.388   93.563  529.588   76.552  193.788   19.604  200.659   15.395 -6.871704 24.92604 
1 1 1   21   -9   15 o   90.047   16.425  109.992   35.572  108.128   59.451  111.032   44.396   85.756   25.719   88.771   20.449 -3.014191 32.85786 
1 1 1   21   -9   16 o  124.217   13.575  203.047   41.423  167.927   67.024  224.751   52.690  106.288   25.565  129.121   16.735 -22.83297 30.55487 
1 1 1   21   -9   17 o   80.999   25.228   97.376   56.504   68.669  147.664  102.300   61.158   83.474   36.691   82.623   26.316 0.8505478 45.15255 
1 1 1   21   -9   18 o   97.211   25.303  143.583   62.022   70.580  158.245  156.833   67.415   83.607   37.298  100.902   26.437 -17.29578 45.71759 
1 1 1   21   -9   19 o  179.074   20.472  454.457   89.900  478.214  186.935  447.309  102.536  147.026   45.902  173.633   24.315 -26.60678 51.94394 
1 1 1   21   -9   20 o  147.772   22.542  322.142   80.550  324.305  182.198  321.616   89.803  115.003   44.526  144.290   25.874 -29.28712 51.49804 
1 1 1   21   -9   21 o   75.070   25.950   89.060   59.183  211.155  172.051   72.675   63.029   95.489   40.778   69.872   26.402 25.61713 48.57897 
1 1 1   21   -8    0 o  131.656   18.301  225.024   58.540  298.805  124.833  204.225   66.279  146.457   34.670  124.232   22.178 22.22532 41.15693 
1 1 1   21   -8    1 o  102.052   20.678  138.238   50.892  257.033  120.932  112.671   56.102  135.438   35.371   91.576   24.177 43.86267 42.84433 
1 1 1   21   -8    2 o   95.363   15.875  118.460   36.476  137.061   57.884  106.209   46.976  100.955   23.415   89.104   21.384 11.85078 31.71015 
1 1 1   21   -8    3 o  387.556   13.689  1901.00  132.486  1909.89  191.379  1892.82  183.590  385.074   19.971  384.260   19.133 0.8144531 27.65653 
1 1 1   21   -8    4 o  139.243   12.774  247.097   43.920  244.958   68.970  248.556   56.964  136.378   20.920  138.651   16.795 -2.272980 26.82706 
1 1 1   21   -8    5 o  147.303   13.334  277.009   48.515  257.191   84.772  286.662   59.161  137.992   25.541  149.122   16.145 -11.12907 30.21621 
1 1 1   21   -8    6 o  240.666   17.711  746.815  105.692  746.815  105.692   0.0000   0.0000  240.666   17.711  ?   ?  0.000000 17.71090 
1 1 1   21   -8    7 o  290.290   12.166  1066.97   88.193  1067.87  130.647  1066.21  119.540  287.383   18.300  287.987   16.694 -0.6038513 24.77051 
1 1 1   21   -8    8 o  107.047   14.291  148.486   37.249  208.241   61.100  113.142   46.991  125.138   20.244   91.431   21.021 33.70701 29.18358 
1 1 1   21   -8    9 o  106.721   14.483  148.002   37.600   90.140   60.575  184.270   47.957   81.998   26.198  118.606   16.651 -36.60812 31.04121 
1 1 1   21   -8   10 o   66.790   18.616   59.833   32.210   80.642   54.516   48.672   39.924   77.647   24.858   62.552   21.325 15.09520 32.75159 
1 1 1   21   -8   11 o   46.579   18.174   18.594   30.537   33.863   51.552   10.341   37.902   60.375   23.598   47.286   19.598 13.08809 30.67527 
1 1 1   21   -8   12 o  146.730   16.390  282.587   59.030  279.439   82.465  285.895   84.535  142.091   24.102  143.556   24.458 -1.465225 34.33795 
1 1 1   21   -8   13 o  235.076   16.039  722.086   93.591  628.903  131.843  816.739  132.879  212.447   25.352  245.496   21.905 -33.04967 33.50495 
1 1 1   21   -8   14 o   78.359   17.720   83.890   33.861   60.001   57.048   96.883   42.073   69.379   25.320   83.464   20.366 -14.08490 32.49449 
1 1 1   21   -8   15 o   31.234   14.586 -24.5724   28.096  -0.1041   49.139 -36.4566   34.246   49.169   21.399   33.056   15.643 16.11390 26.50693 
1 1 1   21   -8   16 o   60.842   18.829   50.206   31.533   66.607   54.544   41.973   38.645   70.520   24.878   58.288   20.900 12.23289 32.49158 
1 1 1   21   -8   17 o  179.586   11.931  417.454   53.201  385.178   83.543  439.472   69.001  166.926   20.471  182.243   15.304 -15.31737 25.55886 
1 1 1   21   -8   18 o  107.901   14.411  155.039   37.860  188.536   61.755  134.868   47.922  114.606   22.381   97.650   20.314 16.95636 30.22530 
1 1 1   21   -8   19 o  150.248   21.197  319.563   77.321  385.477  169.308  302.193   86.914  137.656   43.779  142.622   25.331 -4.965439 50.57941 
1 1 1   21   -8   20 o   67.042   24.356   61.938   52.698  132.418  158.816   53.218   55.863   90.444   38.914   64.664   24.754 25.78024 46.12066 
1 1 1   21   -8   21 o   79.625   25.672   98.623   58.068  130.043  164.282   94.137   62.075   88.224   38.741   77.835   26.590 10.38857 46.98878 
1 1 1   21   -8   22 o   60.806   24.256   44.714   55.475   3.6672  168.249   49.721   58.761   73.380   34.709   62.856   24.999 10.52419 42.77436 
1 1 1   21   -7    0 o  167.406   12.079  354.759   50.156  359.089   75.981  351.415   66.770  166.912   18.543  165.675   16.352 1.236679 24.72305 
1 1 1   21   -7    1 o  334.954   18.117  1433.11  150.971  1671.81  233.624  1261.96  197.825  357.488   26.356  310.700   25.729 46.78812 36.83202 
1 1 1   21   -7    2 o  201.650   17.211  520.835   85.838  473.899  151.434  543.055  104.193  185.804   33.886  204.830   20.652 -19.02658 39.68344 
1 1 1   21   -7    3 o  352.902   19.263  1597.63  169.118  1727.60  259.337  1501.47  223.076  361.060   29.008  338.003   26.645 23.05643 39.38802 
1 1 1   21   -7    4 o  260.790   17.748  871.482  114.892  871.685  188.985  871.362  144.704  254.786   30.297  258.733   22.624 -3.946793 37.81202 
1 1 1   21   -7    5 o  129.063   19.061  217.695   59.584  291.491  129.113  197.725   67.164  143.459   36.076  121.722   22.937 21.73705 42.75081 
1 1 1   21   -7    6 o  309.606   12.702  1211.90   98.205  1184.59  143.096  1236.21  135.021  303.238   18.993  310.522   17.484 -7.283112 25.81481 
1 1 1   21   -7    7 o  174.124   11.825  384.697   51.115  375.380   78.129  391.670   67.586  169.980   18.716  174.670   15.661 -4.689728 24.40444 
1 1 1   21   -7    8 o  179.821   11.714  410.422   52.315  422.217   81.156  402.036   68.429  180.343   18.273  176.842   15.657 3.501526 24.06351 
1 1 1   21   -7    9 o  296.010   12.383  1110.56   91.535  1108.35  135.464  1112.42  124.172  292.441   18.647  293.887   16.992 -1.445923 25.22780 
1 1 1   21   -7   10 o  274.276   11.871  953.522   81.304  959.592  121.571  948.611  109.359  271.992   18.000  271.382   16.211 0.6106567 24.22433 
1 1 1   21   -7   11 o   69.062   18.554   64.100   32.680   47.632   54.811   73.183   40.707   66.083   24.692   73.645   21.070 -7.562157 32.46018 
1 1 1   21   -7   12 o  106.118   14.284  146.693   36.890  122.299   60.983  160.771   46.327   93.474   25.443  110.134   17.424 -16.65922 30.83797 
1 1 1   21   -7   13 o  176.648   11.681  398.896   51.236  413.269   80.759  389.213   66.284  176.770   18.573  172.964   15.511 3.805206 24.19793 
1 1 1   21   -7   14 o   82.810   21.179   95.074   43.971   64.077   62.562  125.332   61.812   72.246   26.493   93.731   25.659 -21.48451 36.88144 
1 1 1   21   -7   15 o  175.729   15.647  404.870   67.946  378.395   96.508  430.892   95.679  164.626   24.197  177.325   22.086 -12.69913 32.76115 
1 1 1   21   -7   16 o  133.403   12.352  230.475   40.682  241.548   65.610  223.559   51.853  132.688   20.459  129.648   16.382 3.040970 26.20908 
1 1 1   21   -7   17 o  132.066   12.380  226.485   40.352  238.962   66.336  219.157   50.839  131.291   20.936  128.160   16.250 3.131149 26.50294 
1 1 1   21   -7   18 f  111.598   13.776  164.201   37.575  130.768   60.558  185.130   47.914   94.096   25.247  117.129   16.868 -23.03271 30.36353 
1 1 1   21   -7   19 o  161.029   12.082  336.824   48.229  399.761   77.236  296.601   61.746  171.386   18.331  148.296   16.980 23.09039 24.98659 
1 1 1   21   -7   20 o  130.929   13.075  225.526   42.179  251.675   67.247  208.567   54.156  133.511   20.852  123.052   18.171 10.45860 27.65817 
1 1 1   21   -7   21 o   88.939   24.855  120.474   57.339  345.153  164.174   89.260   61.192  128.053   43.246   77.124   26.400 50.92824 50.66718 
1 1 1   21   -7   22 o   38.254   18.040 -38.3568   44.828   79.204  159.472 -48.4433   46.711   82.187   36.993   37.636   17.941 44.55064 41.11374 
1 1 1   21   -7   23 f  103.747   26.497  173.163   68.891  -8.5417  174.344  206.783   74.994   73.406   34.898  113.363   26.897 -39.95722 44.06046 
1 1 1   21   -6    0 o  461.042   14.823  2687.00  170.659  2908.82  245.352  2479.08  237.534  476.977   20.599  439.809   21.628 37.16797 29.86750 
1 1 1   21   -6    1 o   84.749   16.178   93.956   32.988  154.333   52.590   54.788   42.358  108.271   20.194   66.621   21.955 41.64957 29.82980 
1 1 1   21   -6    2 o   59.070   18.857   43.691   31.390   83.810   50.660   18.688   39.993   79.922   23.690   51.820   20.619 28.10188 31.40665 
1 1 1   21   -6    3 o  392.821   14.352  1951.06  140.790  1869.75  202.234  2027.53  196.122  381.135   21.334  398.242   19.721 -17.10623 29.05263 
1 1 1   21   -6    4 o  218.131   15.871  606.667   85.860   0.0000   0.0000  606.667   85.860  ?   ?   218.131   15.871 0.000000 15.87128 
1 1 1   21   -6    5 o  338.785   30.268  1530.30  253.371  1530.30  253.371   0.0000   0.0000  338.785   30.268  ?   ?  0.000000 30.26759 
1 1 1   21   -6    6 o  231.657   17.314  687.729   99.438  667.599  165.321  699.140  124.472  222.383   30.579  231.890   21.749 -9.506348 37.52458 
1 1 1   21   -6    7 o  407.881   19.985  2139.25  203.561  2518.14  305.772  1837.67  272.799  435.516   28.268  370.642   29.724 64.87350 41.01951 
1 1 1   21   -6    8 o  217.656   16.465  607.581   88.831  817.834  157.411  509.335  107.602  248.284   25.764  196.990   22.265 51.29367 34.05110 
1 1 1   21   -6    9 o  323.442   12.656  1324.43  102.223  1403.12  150.248  1256.60  139.483  329.983   18.305  312.414   17.954 17.56891 25.64052 
1 1 1   21   -6   10 o  401.509   14.170  2051.18  142.079  2074.19  205.882  2030.26  196.318  399.055   20.732  395.403   19.947 3.652069 28.76929 
1 1 1   21   -6   11 o  295.783   12.178  1109.18   89.952  1131.99  133.415  1090.17  121.799  295.581   18.163  290.789   16.845 4.792694 24.77213 
1 1 1   21   -6   12 o  178.288   11.490  404.456   50.881  413.646   79.483  398.075   66.230  177.882   18.147  175.628   15.253 2.253662 23.70600 
1 1 1   21   -6   13 o  179.613   11.506  411.116   51.335  382.754   80.553  430.512   66.614  170.204   19.293  182.661   14.729 -12.45758 24.27279 
1 1 1   21   -6   14 o   32.582   14.779 -13.8185   26.026   4.3223   42.742 -24.5088   32.811   47.887   20.384   34.788   16.078 13.09960 25.96192 
1 1 1   21   -6   15 o  124.795   12.280  200.773   37.773  234.298   61.019  179.944   48.097  132.201   19.032  116.392   17.054 15.80943 25.55463 
1 1 1   21   -6   16 o  186.831   13.791  452.230   63.889  437.983   84.762  470.972   97.219  180.939   19.045  186.192   21.292 -5.252487 28.56722 
1 1 1   21   -6   17 o   90.654   19.487  113.476   42.802  101.229   61.488  124.989   59.617   84.010   26.341   93.006   25.091 -8.995651 36.37895 
1 1 1   21   -6   18 o  109.478   13.624  157.399   36.441  134.577   59.861  170.836   45.932   96.198   24.770  112.740   16.831 -16.54171 29.94682 
1 1 1   21   -6   19 o   98.191   14.842  128.573   35.257  172.202   58.481  103.661   44.190  110.238   22.015   85.558   20.869 24.67984 30.33436 
1 1 1   21   -6   20 o  101.830   14.593  138.281   36.048   72.444   57.797  180.196   46.117   72.425   25.602  115.564   16.444 -43.13959 30.42846 
1 1 1   21   -6   21 o  105.012   14.585  147.491   37.214  122.943   58.465  164.210   48.250   90.492   25.030  108.904   18.398 -18.41128 31.06361 
1 1 1   21   -6   22 o   64.786   18.966   59.318   32.643   81.028   48.890   41.852   43.850   74.219   23.517   58.565   22.046 15.65429 32.23466 
1 1 1   21   -6   23 o   62.632   24.277   48.834   54.208   71.286  168.000   46.225   57.272   82.308   37.416   62.473   24.732 19.83492 44.85092 
1 1 1   21   -6   24 o   61.317   24.297   45.861   55.319  192.886  177.130   29.971   58.232   94.437   40.863   57.687   24.132 36.75043 47.45676 
1 1 1   21   -5    0 o  227.208   11.491  650.790   64.984  605.320   95.334  690.253   88.813  217.667   17.692  233.159   15.339 -15.49254 23.41593 
1 1 1   21   -5    1 o  233.837   11.077  687.334   64.684  722.051   96.182  658.667   87.401  238.219   16.266  227.682   15.464 10.53716 22.44330 
1 1 1   21   -5    2 o  113.982   13.786  166.255   38.442  115.469   58.787  204.197   50.812   92.942   24.849  125.884   16.566 -32.94234 29.86506 
1 1 1   21   -5    3 o  346.239   13.457  1512.47  116.353  1474.05  167.344  1548.43  161.889  339.221   19.841  348.194   18.687 -8.973175 27.25578 
1 1 1   21   -5    4 o  145.658   12.372  269.187   44.577  277.355   68.340  263.139   58.810  146.288   19.169  143.049   16.782 3.238617 25.47704 
1 1 1   21   -5    5 o  301.874   12.037  1148.00   90.741  1160.83  132.689  1136.73  124.368  301.518   17.700  298.709   16.740 2.808289 24.36264 
1 1 1   21   -5    6 o  420.458   14.678  2238.03  154.114  2270.88  221.503  2207.21  214.563  419.934   21.191  414.739   20.717 5.195129 29.63537 
1 1 1   21   -5    7 o  504.762   16.504  3240.15  208.029  3275.23  297.445  3206.56  291.055  502.657   23.696  497.569   23.425 5.088135 33.32016 
1 1 1   21   -5    8 o  269.737   11.956  917.838   80.536  879.614  119.166  949.976  109.268  261.660   18.354  272.837   16.109 -11.17691 24.42037 
1 1 1   21   -5    9 f  220.293   17.092  623.101   93.292  666.794  159.775  600.499  114.915  222.164   29.531  214.422   21.763 7.741943 36.68394 
1 1 1   21   -5   10 o  351.733   19.086  1596.32  167.010  1820.27  258.644  1436.17  218.719  368.708   28.307  328.383   26.908 40.32526 39.05570 
1 1 1   21   -5   11 o  277.643   13.816  979.383   95.788  1079.80  123.588  828.319  151.588  289.712   17.159  249.686   24.633 40.02592 30.02042 
1 1 1   21   -5   12 o  217.227   11.456  598.573   61.924  626.923   94.320  577.095   82.095  220.160   17.295  211.858   15.628 8.302063 23.30983 
1 1 1   21   -5   13 o  253.705   11.440  815.375   72.481  836.125  108.951  798.900   97.080  254.065   17.275  249.112   15.686 4.952881 23.33415 
1 1 1   21   -5   14 f  202.577   11.223  521.851   56.550  528.281   87.695  517.274   73.989  201.198   17.632  200.314   14.898 0.8844757 23.08326 
1 1 1   21   -5   15 o   47.745   17.495   24.616   27.275   45.500   45.359   12.788   34.135   62.431   22.609   46.172   18.809 16.25888 29.40970 
1 1 1   21   -5   16 o  269.689   11.802  927.387   79.482  924.735  119.706  929.478  106.295  265.012   18.199  267.258   16.000 -2.246033 24.23238 
1 1 1   21   -5   17 f  212.488   11.349  577.508   60.003  643.839   93.883  531.703   78.017  221.110   17.137  201.731   15.608 19.37837 23.17969 
1 1 1   21   -5   18 o  140.444   11.833  254.290   41.112  253.096   66.037  255.046   52.534  136.310   19.995  139.181   15.372 -2.871170 25.22050 
1 1 1   21   -5   19 o   97.712   18.521  130.814   43.537  157.899   62.002  104.469   61.149  104.710   24.197   84.836   26.215 19.87462 35.67542 
1 1 1   21   -5   20 o  125.880   13.200  207.268   40.877  218.567   66.037  200.250   52.047  124.609   22.028  121.606   17.655 3.003639 28.23002 
1 1 1   21   -5   21 o  224.717   11.743  652.406   65.667  637.876  101.348  662.919   86.213  216.521   18.934  223.759   15.525 -7.238083 24.48551 
1 1 1   21   -5   22 o  174.111   11.924  393.829   51.532  405.344   80.392  385.798   67.139  171.636   19.080  169.705   16.033 1.930771 24.92134 
1 1 1   21   -5   23 o   99.660   15.133  134.308   36.478  144.241   55.466  126.737   48.423   98.868   22.914   93.518   21.221 5.350212 31.23112 
1 1 1   21   -5   24 o  130.216   13.465  225.558   43.151  269.226   65.081  191.300   57.644  138.124   19.403  115.134   20.816 22.99001 28.45668 
1 1 1   21   -5   25 o   56.202   23.569   26.581   55.761   0.0000   0.0000   26.581   55.761  ?   ?    56.202   23.569 0.000000 23.56945 
1 1 1   21   -4    0 o   63.208   17.824   52.083   29.348   48.592   47.292   54.269   37.427   65.491   23.158   65.474   20.555 0.1754761E-01 30.96477 
1 1 1   21   -4    1 o  229.641   11.297  662.891   64.785  656.755   95.418  668.138   88.242  227.023   16.953  229.369   15.497 -2.345840 22.96886 
1 1 1   21   -4    2 o  174.493   11.725  384.671   50.795  376.898   76.466  390.811   67.955  171.321   18.150  175.084   15.710 -3.762451 24.00438 
1 1 1   21   -4    3 o  402.825   20.866  2079.65  209.174   0.0000   0.0000  2079.65  209.174  ?   ?   402.825   20.866 0.000000 20.86568 
1 1 1   21   -4    4 o  407.890   20.653  2132.27  209.679  2132.27  209.679   0.0000   0.0000  407.890   20.653  ?   ?  0.000000 20.65279 
1 1 1   21   -4    5 o  250.606   11.678  790.370   73.082  811.765  107.432  771.940   99.707  252.279   17.155  246.237   16.308 6.041962 23.66910 
1 1 1   21   -4    6 o  213.237   11.418  573.789   60.579  557.241   90.323  587.319   81.672  208.650   17.497  214.848   15.323 -6.198059 23.25806 
1 1 1   21   -4    7 o  350.935   13.300  1554.82  116.558  1463.24  168.074  1639.67  161.781  337.550   20.029  358.262   18.142 -20.71204 27.02413 
1 1 1   21   -4    8 o  252.922   11.354  805.536   71.714  872.188  106.862  750.922   96.731  261.477   16.450  242.672   16.053 18.80516 22.98464 
1 1 1   21   -4    9 o  288.267   11.818  1047.75   85.069  1134.02  125.826  975.113  115.454  297.906   16.984  276.241   16.817 21.66476 23.90118 
1 1 1   21   -4   10 f  300.837   12.002  1142.31   90.167  1141.54  132.544  1142.97  123.019  298.291   17.876  299.055   16.537 -0.7635193 24.35238 
1 1 1   21   -4   11 o  127.373   13.053  207.455   40.930  153.936   66.975  239.359   51.711  106.219   25.560  136.302   15.466 -30.08333 29.87461 
1 1 1   21   -4   12 o  235.992   16.788  716.277   98.290  875.104  168.661  634.596  120.952  255.471   26.839  219.578   22.371 35.89279 34.93954 
1 1 1   21   -4   13 o  182.206   16.699  429.184   75.135  626.210  145.240  357.192   87.795  214.567   27.757  164.022   21.988 50.54471 35.41101 
1 1 1   21   -4   14 o  173.546   11.211  382.727   48.325  355.148   74.786  402.498   63.321  164.687   18.505  176.989   14.453 -12.30153 23.48052 
1 1 1   21   -4   15 o   93.045   14.604  113.329   32.814   93.696   53.490  125.176   41.552   82.719   24.295   96.908   17.827 -14.18900 30.13423 
1 1 1   21   -4   16 o  127.767   12.227  209.705   38.536  212.535   62.094  207.932   49.145  125.607   20.504  126.001   15.978 -0.3942947 25.99454 
1 1 1   21   -4   17 o  151.582   11.658  294.362   43.789  266.614   69.826  312.348   56.217  140.574   20.494  155.042   14.696 -14.46812 25.21828 
1 1 1   21   -4   18 o  139.204   11.819  249.219   40.696  277.261   65.890  231.925   51.745  143.854   18.791  132.688   15.935 11.16606 24.63822 
1 1 1   21   -4   19 o  245.121   11.595  768.654   70.973  770.058  108.916  767.619   93.567  240.543   18.269  242.217   15.551 -1.674194 23.99130 
1 1 1   21   -4   20 o   43.565   17.175   15.965   27.512   8.9026   45.368   20.072   34.600   49.756   21.083   48.491   19.215 1.265045 28.52581 
1 1 1   21   -4   21 o   75.955   21.183   81.516   41.694   58.448   57.043  107.976   61.094   68.162   25.245   85.768   26.151 -17.60601 36.34850 
1 1 1   21   -4   22 o  184.323   12.057  440.133   55.193  469.332   87.265  420.665   71.255  185.467   19.116  177.605   16.246 7.862427 25.08658 
1 1 1   21   -4   23 o  170.645   11.947  378.325   50.587  347.891   78.772  399.685   65.994  157.889   20.460  173.227   15.417 -15.33722 25.61829 
1 1 1   21   -4   24 o   43.700   17.596   15.190   29.486   19.140   43.662   11.878   39.981   51.069   21.090   47.399   19.922 3.670544 29.01123 
1 1 1   21   -4   25 o  106.612   19.886  162.623   50.996  338.378  177.714  146.852   53.234  121.098   44.614   99.822   21.953 21.27663 49.72305 
1 1 1   21   -4   26 o   45.260   18.422   16.757   32.714   9.7628   40.138   30.596   56.460   46.231   19.718   57.447   23.874 -11.21611 30.96360 
1 1 1   21   -3    0 o   95.181   14.252  116.720   32.832   80.160   51.122  142.384   42.832   78.676   23.907  104.753   16.953 -26.07706 29.30812 
1 1 1   21   -3    1 o  270.771   11.674  921.824   78.936  834.198  114.959  999.994  108.580  255.726   18.119  280.854   15.542 -25.12743 23.87180 
1 1 1   21   -3    2 o  164.029   11.822  340.094   48.100  294.019   72.573  376.191   64.235  150.727   19.757  171.920   15.116 -21.19308 24.87614 
1 1 1   21   -3    3 o  397.942   14.905  2000.47  148.113  2071.91  211.745  1932.03  207.255  402.106   21.162  388.115   21.468 13.99130 30.14440 
1 1 1   21   -3    4 o  451.870   15.337  2581.81  173.066  2665.26  247.690  2502.22  241.915  456.238   21.740  441.972   21.919 14.26547 30.87196 
1 1 1   21   -3    5 o  292.263   12.228  1075.33   89.246  1078.19  129.658  1072.75  123.029  290.757   17.945  290.317   17.045 0.4402771 24.74975 
1 1 1   21   -3    6 o  239.759   11.665  723.307   69.844  677.352  102.306  763.420   95.584  230.156   17.942  245.075   15.701 -14.91867 23.84193 
1 1 1   21   -3    7 o  148.835   12.280  280.893   45.232  252.102   69.138  302.437   59.807  138.995   20.537  153.732   15.804 -14.73695 25.91422 
1 1 1   21   -3    8 o  230.303   11.283  667.442   64.889  710.960   97.013  632.209   87.290  236.086   16.560  222.780   15.793 13.30583 22.88348 
1 1 1   21   -3    9 o  366.153   13.109  1692.63  119.859  1768.55  173.956  1624.01  165.382  371.672   18.804  356.193   18.658 15.47922 26.48970 
1 1 1   21   -3   10 o   97.724   15.000  123.752   35.435   96.320   56.763  141.268   45.358   85.135   25.034  103.777   18.164 -18.64220 30.92973 
1 1 1   21   -3   11 o  215.157   11.621  585.438   62.205  605.923   93.026  568.870   83.661  217.257   17.290  210.885   16.006 6.371735 23.56095 
1 1 1   21   -3   12 o  217.105   11.334  596.189   61.234  561.897   92.013  623.449   82.038  208.778   17.819  220.991   14.954 -12.21292 23.26260 
1 1 1   21   -3   13 o   83.472   16.060   91.800   32.261   87.674   52.877   94.246   40.718   81.027   24.246   83.835   19.771 -2.807632 31.28471 
1 1 1   21   -3   14 o  168.626   13.706  363.779   57.216  397.681  140.081  356.991   62.683  166.542   34.804  166.566   15.239 -0.2464294E-01 37.99389 
1 1 1   21   -3   15 o  205.736   16.977  548.252   86.441  669.164  158.169  496.759  103.219  219.982   29.539  193.569   21.729 26.41350 36.67023 
1 1 1   21   -3   16 o   89.601   18.288  107.677   39.535   60.061   56.151  154.486   55.674   70.528   25.203  106.591   21.655 -36.06303 33.22827 
1 1 1   21   -3   17 o  186.934   11.262  445.234   52.325  407.691   81.174  471.923   68.441  175.741   18.788  191.266   14.436 -15.52484 23.69319 
1 1 1   21   -3   18 o  213.791   11.291  583.076   60.068  530.314   92.809  621.109   78.797  200.139   18.790  219.197   14.477 -19.05753 23.71997 
1 1 1   21   -3   19 f  180.240   11.339  415.775   50.777  377.294   80.198  441.522   65.601  167.716   19.513  184.426   14.357 -16.70952 24.22606 
1 1 1   21   -3   20 o  231.042   11.511  682.555   66.414  738.859  102.590  641.936   87.137  236.221   17.516  221.240   15.878 14.98085 23.64143 
1 1 1   21   -3   21 o   74.407   16.896   75.622   30.678   44.154   49.908   94.733   38.893   62.175   23.494   82.656   19.208 -20.48183 30.34656 
1 1 1   21   -3   22 o  184.434   11.579  438.376   53.057  431.369   83.381  443.143   68.779  178.375   19.012  183.438   15.150 -5.063110 24.31024 
1 1 1   21   -3   23 o  178.237   15.407  420.870   67.900  361.686   92.482  490.081  100.011  158.865   24.066  187.307   21.789 -28.44167 32.46389 
1 1 1   21   -3   24 o  102.239   15.303  140.646   37.869   92.801   59.273  173.644   49.225   79.281   25.964  112.269   18.179 -32.98814 31.69547 
1 1 1   21   -3   25 o   70.731   18.669   70.940   33.458   44.868   49.979   92.111   45.038   61.092   23.408   79.296   21.981 -18.20430 32.11087 
1 1 1   21   -3   26 o   42.062   17.308   11.674   29.272   18.399   40.000   3.9211   42.951   49.102   20.222   46.213   20.059 2.889584 28.48311 
1 1 1   21   -2    0 o  194.689   11.376  477.879   55.066  420.701   80.399  528.399   75.574  181.268   18.000  204.070   14.934 -22.80179 23.38801 
1 1 1   21   -2    1 o  141.628   11.723  253.855   41.087  231.822   61.941  271.166   54.904  133.781   19.082  145.746   15.314 -11.96472 24.46726 
1 1 1   21   -2    2 o  168.839   15.232  362.919   63.529   0.0000   0.0000  362.919   63.529  ?   ?   168.839   15.232 0.000000 15.23186 
1 1 1   21   -2    3 o  111.323   17.711  160.912   47.587  203.212   56.903   62.509   86.790  125.137   18.790   80.760   30.870 44.37679 36.13860 
1 1 1   21   -2    4 o  468.385   15.867  2775.20  185.582  2789.98  264.744  2760.92  260.219  466.461   22.728  464.173   22.450 2.287659 31.94596 
1 1 1   21   -2    5 o  318.196   12.339  1274.42   98.044  1324.46  142.277  1229.18  135.297  322.543   17.732  310.767   17.505 11.77582 24.91747 
1 1 1   21   -2    6 o  245.036   11.694  755.274   71.554  737.928  105.228  770.194   97.589  240.462   17.647  246.167   15.961 -5.704971 23.79480 
1 1 1   21   -2    7 o  166.846   11.406  351.710   47.239  411.821   72.099  306.493   62.531  179.585   16.253  154.676   16.441 24.90898 23.11880 
1 1 1   21   -2    8 o  211.287   11.496  563.302   60.427  581.079   89.673  548.515   81.785  213.308   16.975  207.494   15.905 5.814178 23.26204 
1 1 1   21   -2    9 o  116.928   13.302  174.693   38.150  175.845   59.953  173.910   49.454  115.316   21.614  115.677   17.681 -0.3610382 27.92471 
1 1 1   21   -2   10 o  215.427   11.402  585.866   61.119  616.231   91.258  561.166   82.305  219.586   16.769  209.758   15.829 9.828018 23.06036 
1 1 1   21   -2   11 o   58.089   18.309   42.669   29.664   68.403   48.667   27.456   37.418   73.251   23.490   53.769   20.337 19.48128 31.07047 
1 1 1   21   -2   12 o  262.746   11.689  870.594   76.692  838.806  113.901  896.957  103.729  255.606   17.959  265.191   15.734 -9.585114 23.87601 
1 1 1   21   -2   13 o  166.334   11.507  350.712   47.504  261.522   72.578  417.559   62.833  140.788   21.310  180.941   14.015 -40.15311 25.50600 
1 1 1   21   -2   14 o  328.276   12.447  1363.85  102.038  1453.20  151.132  1289.00  138.323  335.921   18.083  316.596   17.565 19.32510 25.20955 
1 1 1   21   -2   15 o  114.149   12.732  167.188   35.673  175.449   57.172  161.921   45.650  114.611   20.739  111.171   16.982 3.439888 26.80531 
1 1 1   21   -2   16 o  145.341   11.756  269.335   42.302  252.429   67.699  280.164   54.181  137.911   20.262  147.339   14.932 -9.428299 25.16945 
1 1 1   21   -2   17 o  115.517   20.245  179.114   56.272  278.393  132.396  157.226   62.166  135.653   37.718  106.753   23.914 28.90022 44.65963 
1 1 1   21   -2   18 o  205.720   17.700  554.044   90.042  539.127  162.617  560.640  108.130  190.600   35.471  204.775   21.465 -14.17436 41.46016 
1 1 1   21   -2   19 o  132.960   12.028  227.208   39.504  173.019   63.888  260.751   50.265  111.371   23.700  141.669   14.409 -30.29835 27.73604 
1 1 1   21   -2   20 o  222.258   11.583  632.066   64.065  582.047   98.635  668.566   84.258  208.971   19.113  226.798   14.961 -17.82748 24.27242 
1 1 1   21   -2   21 o  135.244   11.974  235.995   40.021  285.450   65.556  206.614   50.529  145.849   18.410  124.611   16.655 21.23855 24.82541 
1 1 1   21   -2   22 o   53.007   18.046   35.409   28.590   58.386   46.793   21.722   36.115   66.674   23.073   49.761   19.659 16.91222 30.31213 
1 1 1   21   -2   23 o   50.556   18.114   30.391   29.024   30.810   46.520   30.123   37.139   56.563   22.323   53.151   20.223 3.412495 30.12064 
1 1 1   21   -2   24 o  128.467   13.596  216.877   42.953  186.030   72.546  233.527   53.299  111.596   26.438  131.837   16.555 -20.24102 31.19348 
1 1 1   21   -2   25 o  103.104   24.032  156.744   60.733  156.744   60.733   0.0000   0.0000  103.104   24.032  ?   ?  0.000000 24.03222 
1 1 1   21   -2   26 o   62.158   19.102   54.044   32.520   21.779   46.926   83.858   45.108   53.036   21.879   75.666   22.335 -22.62965 31.26619 
1 1 1   21   -2   27 o   89.176   16.376  110.122   35.123  115.068   49.938  105.281   49.409   87.656   22.651   83.655   22.957 4.001266 32.25048 
1 1 1   21   -1    0 o  108.663   17.563  153.253   46.032  155.508   53.788  147.083   88.981  108.802   20.550  105.178   31.447 3.623970 37.56663 
1 1 1   21   -1    1 o  253.466   16.156  815.523  101.727  713.596  134.814  950.291  155.018  234.919   23.288  271.469   23.086 -36.54970 32.79172 
1 1 1   21   -1    2 o  112.280   23.609  167.436   64.097  167.436   64.097   0.0000   0.0000  112.280   23.609  ?   ?  0.000000 23.60921 
1 1 1   21   -1    3 o  254.395   16.124  821.690  101.899  764.319  137.350  891.926  151.970  243.266   22.878  262.746   23.407 -19.47975 32.73083 
1 1 1   21   -1    4 o  454.161   18.097  2618.17  205.239  2408.27  251.371  3037.91  355.470  432.656   23.352  481.812   29.689 -49.15646 37.77259 
1 1 1   21   -1    5 o  431.999   15.020  2357.28  162.028  2286.43  231.337  2425.51  227.008  422.143   22.021  435.884   20.855 -13.74100 30.32964 
1 1 1   21   -1    6 o  235.300   11.485  696.096   67.483  641.222   98.651  744.355   92.515  224.094   17.775  242.191   15.377 -18.09659 23.50267 
1 1 1   21   -1    7 o  141.240   11.918  252.727   41.641  267.720   63.238  241.250   55.329  144.129   17.960  137.059   16.497 7.070236 24.38666 
1 1 1   21   -1    8 o  312.937   12.231  1232.89   95.577  1236.51  138.604  1229.61  131.972  311.451   17.896  310.868   17.066 0.5833435 24.72880 
1 1 1   21   -1    9 o  222.763   11.135  624.012   61.944  614.612   91.478  631.973   84.181  219.475   16.819  223.001   15.207 -3.526657 22.67471 
1 1 1   21   -1   10 o  268.423   11.520  906.798   77.220  908.177  113.233  905.599  105.579  266.848   17.082  266.835   15.917 0.1327515E-01 23.34859 
1 1 1   21   -1   11 o  100.290   14.390  129.714   35.005  119.541   55.883  136.284   44.907   94.379   23.734  101.937   18.315 -7.557587 29.97911 
1 1 1   21   -1   12 f  136.924   12.162  238.231   41.153  233.209   64.121  241.749   53.663  133.574   19.825  137.091   15.975 -3.517578 25.46033 
1 1 1   21   -1   13 o  152.746   11.779  295.948   44.582  257.606   68.376  324.302   58.799  140.298   20.090  159.201   14.966 -18.90280 25.05165 
1 1 1   21   -1   14 o  418.493   14.302  2222.39  149.468  2359.15  216.277  2097.36  206.801  427.746   20.248  402.599   20.639 25.14703 28.91271 
1 1 1   21   -1   15 o  126.387   12.226  203.866   38.106  169.434   60.680  226.286   48.965  112.255   22.431  132.508   15.065 -20.25340 27.02082 
1 1 1   21   -1   16 o   71.863   17.272   68.906   30.611   50.188   49.941   80.169   38.741   66.025   23.750   77.218   19.949 -11.19337 31.01656 
1 1 1   21   -1   17 o  212.661   11.204  573.836   59.292  590.104   91.101  561.882   78.095  213.372   17.245  209.091   15.058 4.281265 22.89363 
1 1 1   21   -1   18 o  266.335   11.563  899.927   76.901  951.006  116.317  860.264  102.497  270.659   17.300  258.100   15.981 12.55936 23.55206 
1 1 1   21   -1   19 o   70.551   19.312   67.402   35.017  103.887  124.622   64.275   36.487   93.378   36.636   69.047   20.005 24.33092 41.74212 
1 1 1   21   -1   20 o  156.538   18.566  325.507   71.161  306.589  147.153  331.282   81.300  137.860   40.242  156.472   21.365 -18.61198 45.56139 
1 1 1   21   -1   21 o  159.194   13.903  328.813   54.714  303.101   73.507  360.754   81.930  149.761   20.168  163.342   20.540 -13.58124 28.78627 
1 1 1   21   -1   22 o   70.798   16.915   68.285   29.495   97.623   48.580   51.156   37.120   83.139   22.742   62.340   20.553 20.79871 30.65349 
1 1 1   21   -1   23 o   74.366   17.155   75.674   31.208   50.117   49.964   92.025   39.963   64.238   23.658   81.248   19.863 -17.00954 30.89069 
1 1 1   21   -1   24 o   64.233   20.584   56.076   37.373  -4.0859  153.876   59.847   38.526   77.916   35.569   66.055   20.870 11.86073 41.23998 
1 1 1   21   -1   25 o   46.723   18.669   18.062   32.917 -18.9767   43.575   67.291   50.236   41.856   19.038   69.904   23.920 -28.04741 30.57175 
1 1 1   21   -1   26 o   32.517   14.861 -15.0150   26.962  -1.6579   39.336 -26.8513   37.029   43.515   19.037   36.386   16.909 7.129532 25.46158 
1 1 1   21   -1   27 o   59.118   21.022   45.853   39.020   40.639   46.466   58.324   71.864   58.795   22.560   69.216   27.608 -10.42043 35.65374 
1 1 1   21   -1   28 o   94.129   16.515  122.699   37.404  132.536   53.580  113.348   52.239   93.890   23.028   86.398   23.562 7.491364 32.94604 
1 1 1   21    0    0 o  330.055   17.614  1384.00  144.649  1228.82  197.111  1565.10  212.933  307.859   25.879  348.249   24.644 -40.38968 35.73638 
1 1 1   21    0    1 o  277.036   17.052  975.154  117.395  986.113  159.677  962.263  173.189  276.532   23.341  272.202   25.786 4.329895 34.78131 
1 1 1   21    0    2 o  237.958   16.053  718.937   94.835  709.944  126.441  730.502  143.387  234.826   21.811  237.289   24.553 -2.463623 32.84202 
1 1 1   21    0    3 o  262.494   15.921  874.054  103.869  755.215  139.385  1022.46  155.760  241.689   23.387  281.935   22.306 -40.24596 32.31860 
1 1 1   21    0    4 o  156.876   16.123  314.374   62.261  329.766   80.270  291.128   98.646  159.605   20.622  147.734   27.758 11.87111 34.58027 
1 1 1   21    0    5 o  283.030   16.474  1017.14  115.934  906.898  157.145  1148.81  171.735  264.693   24.036  298.476   23.224 -33.78305 33.42288 
1 1 1   21    0    6 o  139.169   17.235  249.061   58.617  256.567   74.544  236.902   94.881  140.047   22.044  132.432   29.452 7.615356 36.78768 
1 1 1   21    0    7 o  272.682   16.800  945.486  113.838  964.763  155.122  922.988  167.581  273.357   22.936  266.302   25.512 7.055023 34.30682 
1 1 1   21    0    8 o  252.625   16.154  811.112  101.374  775.717  136.431  854.744  151.475  244.991   22.554  256.741   23.901 -11.75008 32.86206 
1 1 1   21    0    9 o  176.960   15.694  399.273   68.634  384.956   90.319  418.841  105.587  172.188   21.472  178.805   24.275 -6.616501 32.40830 
1 1 1   21    0   10 o  169.913   14.485  367.344   60.875  365.025   75.151  371.771  103.813  168.484   18.148  167.747   25.593 0.7378387 31.37471 
1 1 1   21    0   11 o  255.798   11.521  823.476   73.592  852.960  108.427  798.293  100.208  258.651   16.880  250.424   16.110 8.227203 23.33331 
1 1 1   21    0   12 f  139.355   12.006  246.444   41.372  283.002   64.900  221.419   53.696  148.045   17.920  130.991   16.803 17.05391 24.56530 
1 1 1   21    0   13 f  154.204   11.678  301.301   44.636  290.627   68.645  309.121   58.753  149.710   18.774  155.396   15.341 -5.685974 24.24475 
1 1 1   21    0   14 o  298.358   12.084  1123.32   90.033  1150.42  132.652  1100.17  122.595  299.598   17.811  293.377   16.804 6.220978 24.48659 
1 1 1   21    0   15 f   63.927   17.748   53.890   29.338   52.816   48.499   54.510   36.844   66.920   23.471   65.126   20.386 1.793991 31.08799 
1 1 1   21    0   16 o  106.045   13.343  144.747   34.551  137.518   55.446  149.335   44.177  100.861   22.577  106.750   17.153 -5.889153 28.35379 
1 1 1   21    0   17 o  278.291   11.741  980.034   81.591  939.772  122.361  1012.27  109.483  269.407   18.296  280.971   15.666 -11.56345 24.08720 
1 1 1   21    0   18 o  186.413   11.107  441.209   51.469  402.874   79.790  468.528   67.357  175.531   18.481  191.126   14.214 -15.59506 23.31491 
1 1 1   21    0   19 o   64.511   17.504   55.699   28.916   58.254   48.297   54.271   36.101   68.195   23.450   64.378   20.184 3.817505 30.93994 
1 1 1   21    0   20 o  141.775   11.567  257.147   40.596  230.770   64.916  274.087   52.024  130.939   20.528  145.424   14.520 -14.48479 25.14417 
1 1 1   21    0   21 o  151.461   11.667  293.976   43.787  266.764   72.591  309.540   54.899  140.091   21.432  154.428   14.402 -14.33768 25.82135 
1 1 1   21    0   22 o  129.825   19.812  228.299   62.196  265.534  144.603  219.847   68.894  126.634   40.479  125.850   22.760 0.7846222 46.43846 
1 1 1   21    0   23 o   47.122   18.743   17.932   33.037 -16.8593   48.613   47.789   45.035   45.318   20.409   62.493   22.544 -17.17558 30.40968 
1 1 1   21    0   24 o   56.930   18.465   42.602   30.007   46.425   49.840   40.428   37.581   62.927   23.540   57.577   20.614 5.350086 31.28959 
1 1 1   21    0   25 o   85.118   16.057   98.075   32.878   85.454   52.885  106.026   41.975   77.394   24.452   87.087   19.755 -9.693558 31.43515 
1 1 1   21    0   26 o   52.486   18.148   34.790   28.944   61.409   43.578   13.777   38.718   66.868   22.280   47.850   19.818 19.01736 29.81883 
1 1 1   21    0   27 o   56.004   18.429   41.888   29.850   12.987   43.498   67.613   41.039   49.444   20.780   69.022   21.500 -19.57803 29.90133 
1 1 1   21    0   28 o  150.599   12.333  297.172   45.975  255.023   68.275  332.141   62.188  133.596   21.171  156.745   16.117 -23.14928 26.60811 
1 1 1   21    1    0 o  283.550   17.290  1021.63  121.845   0.0000   0.0000  1021.63  121.845  ?   ?   283.550   17.290 0.000000 17.29046 
1 1 1   21    1    1 o  301.339   17.585  1154.13  131.753  1154.13  131.753   0.0000   0.0000  301.339   17.585  ?   ?  0.000000 17.58503 
1 1 1   21    1    2 o  221.743   11.014  617.483   60.985  548.048   88.588  680.034   84.082  207.351   17.266  231.754   14.603 -24.40245 22.61317 
1 1 1   21    1    3 o  291.049   12.379  1065.48   89.970  978.032  129.264  1147.65  125.301  276.922   18.804  300.701   16.753 -23.77881 25.18451 
1 1 1   21    1    4 o   91.406   14.240  107.778   31.445   69.982   48.836  134.544   41.098   74.286   23.500  101.833   16.743 -27.54726 28.85498 
1 1 1   21    1    5 o  309.387   12.200  1203.93   94.260  1125.02  135.663  1277.58  131.063  297.169   18.371  317.313   16.598 -20.14407 24.75879 
1 1 1   21    1    6 o  182.384   11.088  419.399   50.261  409.945   74.060  427.472   68.434  179.196   16.744  183.391   15.077 -4.195786 22.53161 
1 1 1   21    1    7 o   71.572   16.454   67.384   28.794   47.053   44.303   82.253   37.886   64.058   22.435   78.875   19.375 -14.81744 29.64295 
1 1 1   21    1    8 o  112.448   12.665  161.156   34.943  151.635   53.387  168.293   46.219  107.304   20.673  114.119   16.714 -6.814423 26.58470 
1 1 1   21    1    9 o  275.896   13.099  959.103   90.248  798.931  151.644  1046.94  112.300  247.797   24.841  287.271   15.714 -39.47418 29.39384 
1 1 1   21    1   10 o  113.920   18.553  169.105   50.962  169.733   64.129  168.027   83.954  112.929   23.505  111.367   29.659 1.562225 37.84324 
1 1 1   21    1   11 o  161.718   15.943  334.333   63.547  325.877   83.199  346.174   98.454  158.109   21.640  161.906   25.169 -3.797089 33.19269 
1 1 1   21    1   12 o  263.161   16.250  881.538  106.267  843.367  145.204  925.563  155.939  254.928   23.059  266.897   23.642 -11.96837 33.02475 
1 1 1   21    1   13 o   70.514   21.841   63.982   42.418   61.972   53.508   67.382   69.586   71.816   24.683   77.350   28.005 -5.533745 37.33004 
1 1 1   21    1   14 o  151.559   12.028  291.385   45.148  322.158   70.094  269.567   59.021  157.921   18.101  144.683   16.639 13.23778 24.58663 
1 1 1   21    1   15 o  150.099   11.693  285.803   43.481  253.386   67.712  308.551   56.721  139.107   20.073  155.280   14.807 -16.17281 24.94367 
1 1 1   21    1   16 o  102.915   13.548  136.410   33.972  129.321   54.595  140.890   43.397   97.889   22.765  103.660   17.380 -5.770409 28.64059 
1 1 1   21    1   17 o  231.405   11.353  676.324   65.604  614.250   99.074  724.797   87.548  217.820   18.386  238.177   14.793 -20.35663 23.59808 
1 1 1   21    1   18 o  176.088   10.996  393.275   48.109  385.335   74.951  398.838   62.739  172.198   17.681  176.374   14.370 -4.176193 22.78380 
1 1 1   21    1   19 o   66.498   17.093   59.121   28.541   85.787   47.884   44.427   35.545   79.542   22.880   59.829   20.123 19.71223 30.47020 
1 1 1   21    1   20 o   67.369   17.006   60.915   28.614   48.615   47.289   68.019   35.939   64.294   23.112   70.991   19.619 -6.697990 30.31666 
1 1 1   21    1   21 o  169.298   11.216  365.639   47.150  382.267   75.147  354.843   60.552  170.393   17.930  165.474   14.810 4.918625 23.25577 
1 1 1   21    1   22 o  203.857   11.196  530.442   56.777  555.702   89.321  513.316   73.547  205.467   17.578  198.863   14.919 6.604675 23.05535 
1 1 1   21    1   23 o  149.137   14.799  290.535   54.389   0.0000   0.0000  290.535   54.389  ?   ?   149.137   14.799 0.000000 14.79941 
1 1 1   21    1   24 o  197.703   39.057  633.431  185.986  633.431  185.986   0.0000   0.0000  197.703   39.057  ?   ?  0.000000 39.05702 
1 1 1   21    1   25 o   70.298   20.304   68.610   37.638   63.638   54.694   73.082   51.875   69.808   24.881   72.882   24.310 -3.074402 34.78569 
1 1 1   21    1   26 o  130.938   12.466  223.025   40.270  168.842   63.001  260.455   52.363  108.098   23.968  140.282   15.190 -32.18350 28.37575 
1 1 1   21    1   27 o   85.001   16.228   98.470   33.189   70.005   51.007  119.372   43.708   70.893   24.104   92.247   19.580 -21.35404 31.05414 
1 1 1   21    1   28 o  154.202   12.053  309.818   46.044  251.223   69.323  356.073   61.592  132.834   21.644  163.376   15.274 -30.54234 26.49068 
1 1 1   21    1   29 o  104.110   14.725  146.108   37.214  147.389   53.829  144.934   51.506  100.269   22.094   99.925   21.293 0.3440552 30.68410 
1 1 1   21    2    0 o  144.797   11.719  265.154   42.011  221.388   61.060  304.497   57.892  130.697   19.288  154.612   15.190 -23.91507 24.55166 
1 1 1   21    2    1 o   98.504   13.523  124.413   32.385  105.169   49.101  139.232   43.086   89.037   22.169  103.543   17.272 -14.50608 28.10294 
1 1 1   21    2    2 o  497.347   16.528  3128.31  205.273  2965.23  291.073  3289.67  289.533  480.074   24.359  507.068   22.866 -26.99326 33.40979 
1 1 1   21    2    3 o  197.694   11.449  492.641   56.279  357.055   81.240  617.745   78.037  166.418   19.946  220.926   14.221 -54.50780 24.49652 
1 1 1   21    2    4 o  176.558   11.186  393.101   49.063  321.114   71.589  456.862   67.375  158.055   18.487  189.829   14.318 -31.77495 23.38365 
1 1 1   21    2    5 o   86.496   14.507   96.857   30.226   95.431   46.947   97.867   39.503   84.863   21.978   86.167   18.880 -1.304634 28.97440 
1 1 1   21    2    6 o  153.975   10.972  299.250   41.910  273.193   62.016  321.153   56.858  145.858   17.368  158.922   14.486 -13.06422 22.61629 
1 1 1   21    2    7 o  287.518   11.871  1039.44   85.235  1004.20  122.995  1072.00  118.227  280.896   17.624  290.633   16.356 -9.737000 24.04435 
1 1 1   21    2    8 o  208.255   11.253  546.569   58.302  477.264   84.835  608.596   80.257  193.182   17.785  219.086   14.756 -25.90384 23.10944 
1 1 1   21    2    9 o  186.958   11.113  440.746   51.649  391.959   76.080  482.451   70.342  174.921   17.659  194.975   14.552 -20.05408 22.88234 
1 1 1   21    2   10 o  117.636   12.154  175.954   35.190  238.851   54.641  131.379   45.999  136.405   16.368  100.022   19.113 36.38280 25.16390 
1 1 1   21    2   11 o  285.019   11.724  1021.98   83.447  1015.98  121.890  1027.27  114.483  282.412   17.368  284.350   16.190 -1.937927 23.74326 
1 1 1   21    2   12 o  184.492   11.144  429.540   51.102  379.128   76.587  469.993   68.607  171.744   18.132  192.359   14.387 -20.61494 23.14603 
1 1 1   21    2   13 o  108.477   13.249  150.608   35.143  100.161   54.701  186.063   45.858   86.753   24.288  120.226   15.645 -33.47362 28.89067 
1 1 1   21    2   14 o   74.631   21.903   73.061   43.490   62.162   54.397   92.368   72.401   72.076   24.881   85.668   28.720 -13.59167 37.99831 
1 1 1   21    2   15 o  102.088   19.605  137.734   48.163  111.464   62.130  177.294   76.243   91.143   26.014  114.153   27.143 -23.00983 37.59652 
1 1 1   21    2   16 o   76.585   21.459   77.973   42.684   43.369   54.527  132.732   68.593   65.447   24.594   98.779   27.025 -33.33263 36.54060 
1 1 1   21    2   17 o  151.803   14.282  295.022   53.502  273.875   68.561  327.956   85.559  144.680   19.471  157.467   22.389 -12.78722 29.67102 
1 1 1   21    2   18 o  218.578   11.298  605.059   61.458  579.898   93.739  624.028   81.391  211.735   17.896  220.872   14.843 -9.136276 23.25051 
1 1 1   21    2   19 o  157.758   11.189  316.224   43.794  321.155   68.970  312.893   56.689  156.915   17.923  155.940   14.732 0.9752502 23.20064 
1 1 1   21    2   20 o  137.547   11.658  241.507   39.665  229.841   63.609  248.929   50.737  131.428   20.013  138.727   14.878 -7.300064 24.93760 
1 1 1   21    2   21 o  268.683   11.777  917.311   79.017  845.535  119.114  973.721  105.597  253.888   18.923  274.710   15.456 -20.82167 24.43324 
1 1 1   21    2   22 o  363.457   13.446  1691.95  122.043  1710.18  180.402  1676.56  165.721  359.326   20.187  357.276   18.639 2.050842 27.47591 
1 1 1   21    2   23 o   88.681   15.119  104.253   32.280   74.975   54.933  119.694   39.895   74.780   25.017   94.306   17.587 -19.52589 30.58010 
1 1 1   21    2   24 f  150.081   11.445  289.160   42.570  276.102   69.065  297.161   54.061  142.804   19.909  150.920   14.524 -8.116608 24.64348 
1 1 1   21    2   25 o   75.633   16.725   77.796   30.751   61.288   50.649   87.434   38.700   68.553   23.989   79.384   19.632 -10.83085 30.99788 
1 1 1   21    2   26 o  107.802   16.435  155.859   42.843  532.632  158.808  126.284   44.493  182.535   36.119   95.614   19.300 86.92110 40.95169 
1 1 1   21    2   27 o  142.136   20.282  278.884   69.948  395.903  176.957  257.214   76.150  144.191   44.601  134.255   23.574 9.935730 50.44810 
1 1 1   21    2   28 o   37.284   16.089   0.1675   27.309   12.477   41.468  -9.2600   36.290   48.585   20.348   40.001   17.852 8.584045 27.06907 
1 1 1   21    2   29 o   62.385   18.313   54.310   30.398   34.377   43.460   73.402   42.533   56.042   21.733   71.415   21.830 -15.37307 30.80338 
1 1 1   21    2   30 o   47.852   17.828   26.350   28.531   37.807   38.111   11.740   43.034   55.473   20.617   48.457   20.533 7.015583 29.09794 
1 1 1   21    3    0 o  147.483   16.655  278.452   60.266  278.452   60.266   0.0000   0.0000  147.483   16.655  ?   ?  0.000000 16.65543 
1 1 1   21    3    1 o  166.943   11.379  351.684   47.156  309.875   68.463  389.422   65.044  155.378   17.977  175.057   15.025 -19.67949 23.42883 
1 1 1   21    3    2 o  309.190   12.249  1202.05   94.577  1198.54  135.298  1205.41  132.259  307.078   17.719  308.099   17.260 -1.021210 24.73591 
1 1 1   21    3    3 o  145.977   11.445  269.326   41.385  224.770   60.362  308.847   56.850  131.799   18.879  155.793   14.790 -23.99483 23.98294 
1 1 1   21    3    4 o  240.488   11.378  726.562   68.328  596.076   98.205  849.000   95.128  216.022   18.379  259.013   14.769 -42.99078 23.57787 
1 1 1   21    3    5 o  153.263   10.877  296.413   41.359  237.327   60.306  348.885   56.830  135.624   18.271  165.835   13.850 -30.21078 22.92705 
1 1 1   21    3    6 o  213.832   10.918  575.681   58.107  564.362   83.937  586.097   80.520  210.694   16.075  214.960   15.096 -4.265884 22.05161 
1 1 1   21    3    7 o  266.890   11.355  895.018   75.675  856.071  109.317  930.855  104.863  259.483   16.964  271.001   15.561 -11.51825 23.01960 
1 1 1   21    3    8 o  200.935   11.258  508.874   56.263  349.097   81.189  656.494   78.039  164.383   20.204  227.815   13.783 -63.43155 24.45693 
1 1 1   21    3    9 o   53.308   17.313   34.903   26.374   54.625   42.401   22.457   33.684   66.666   21.966   50.329   19.233 16.33744 29.19586 
1 1 1   21    3   10 o   55.287   17.335   38.419   26.628   24.124   42.234   47.851   34.307   54.791   21.375   61.827   19.711 -7.035877 29.07630 
1 1 1   21    3   11 o  163.689   11.186  338.324   45.449  326.213   67.960  348.123   61.131  159.464   17.346  165.336   14.969 -5.872330 22.91171 
1 1 1   21    3   12 o  154.261   11.495  300.912   43.961  271.145   66.694  323.780   58.458  144.791   18.896  159.396   14.858 -14.60475 24.03769 
1 1 1   21    3   13 o  202.182   11.369  515.797   57.168  519.190   85.489  513.053   76.889  201.519   17.151  200.757   15.456 0.7621002 23.08782 
1 1 1   21    3   14 o  370.947   13.391  1736.86  124.045  1698.39  179.189  1772.25  171.892  363.997   19.788  372.897   18.459 -8.900177 27.06110 
1 1 1   21    3   15 o  143.415   11.920  260.915   42.303  237.149   65.380  278.031   55.483  134.718   20.045  147.350   15.302 -12.63161 25.21777 
1 1 1   21    3   16 o  227.380   11.173  651.202   63.443  600.667   95.164  691.631   85.119  216.267   17.778  233.155   14.695 -16.88800 23.06525 
1 1 1   21    3   17 o  249.221   12.810  787.303   79.452  680.281  134.943  844.089   98.296  227.268   24.147  257.241   15.372 -29.97350 28.62506 
1 1 1   21    3   18 o  107.074   18.072  150.804   46.600   96.561   60.954  227.106   72.293   85.105   26.152  130.261   23.069 -45.15585 34.87274 
1 1 1   21    3   19 o  160.265   15.209  330.425   60.140  275.760   82.064  393.842   88.391  143.238   23.776  172.988   20.884 -29.75089 31.64595 
1 1 1   21    3   20 o  201.264   11.228  513.997   56.208  476.228   87.105  540.944   73.576  191.102   18.484  205.435   14.434 -14.33241 23.45148 
1 1 1   21    3   21 o  283.346   11.885  1019.08   84.092  944.808  125.952  1078.81  112.956  268.930   18.874  289.396   15.689 -20.46634 24.54352 
1 1 1   21    3   22 o  156.500   12.207  313.577   47.328  266.013   84.178  335.561   57.230  138.581   25.255  161.172   14.370 -22.59059 29.05730 
1 1 1   21    3   23 o  182.529   17.991  439.304   80.940  439.304   80.940   0.0000   0.0000  182.529   17.991  ?   ?  0.000000 17.99143 
1 1 1   21    3   24 o  111.474   12.520  160.920   34.248  173.038   57.299  154.185   42.719  112.192   21.229  107.743   16.395 4.449478 26.82294 
1 1 1   21    3   25 o   97.795   13.613  125.422   32.343   81.554   53.245  151.072   40.714   76.704   24.567  106.693   15.755 -29.98859 29.18554 
1 1 1   21    3   26 o  188.252   11.235  454.592   52.576  468.319   83.694  445.644   67.574  187.197   18.131  184.609   14.782 2.588303 23.39321 
1 1 1   21    3   27 o  134.451   12.201  234.325   40.520  223.572   64.479  241.343   52.091  126.898   21.087  134.856   15.766 -7.957680 26.32945 
1 1 1   21    3   28 f   91.491   19.091  116.462   42.206  162.290  164.992  113.253   43.659  100.473   41.187   89.797   19.984 10.67560 45.77967 
1 1 1   21    3   29 o   72.060   24.368   73.474   52.126 -165.2475  172.636   97.421   54.678   66.490   32.375   81.240   24.733 -14.74937 40.74173 
1 1 1   21    3   30 o   69.025   17.756   66.972   30.782   62.294   43.288   71.756   43.780   66.549   22.207   70.562   22.243 -4.012596 31.43117 
1 1 1   21    4    0 o  108.641   12.158  150.199   32.419  154.785   48.625  146.529   43.499  109.028   18.522  106.355   16.947 2.672523 25.10511 
1 1 1   21    4    1 o  272.178   11.624  930.817   79.008  871.645  112.565  988.274  110.923  261.837   17.313  279.235   15.974 -17.39792 23.55652 
1 1 1   21    4    2 o  226.321   10.967  643.153   61.982  602.193   89.323  681.191   86.078  217.611   16.562  231.896   14.944 -14.28471 22.30729 
1 1 1   21    4    3 o  176.538   11.353  393.082   49.785  366.160   72.517  417.083   68.471  169.189   17.413  181.152   15.279 -11.96309 23.16536 
1 1 1   21    4    4 o  230.865   12.042  671.834   69.182  645.734   99.021  696.723   96.696  225.069   17.762  234.122   16.648 -9.053253 24.34448 
1 1 1   21    4    5 o  302.447   12.211  1150.27   92.224  1039.93  131.528  1256.97  129.347  285.694   18.536  314.832   16.510 -29.13806 24.82268 
1 1 1   21    4    6 o  153.955   11.007  299.161   42.039  315.432   61.880  285.215   57.290  157.197   15.986  149.487   15.576 7.710480 22.31950 
1 1 1   21    4    7 o  205.081   11.220  529.903   57.242  480.469   82.456  575.889   79.528  194.044   17.195  213.078   15.043 -19.03351 22.84605 
1 1 1   21    4    8 o  215.523   10.913  584.857   58.541  531.982   85.003  632.562   80.741  204.331   16.808  223.458   14.549 -19.12718 22.23010 
1 1 1   21    4    9 o  211.637   11.192  564.312   58.937  456.650   85.602  661.340   81.265  188.794   18.391  228.537   14.312 -39.74263 23.30319 
1 1 1   21    4   10 o  125.164   11.944  198.785   36.878  181.565   55.789  212.148   49.146  117.945   19.632  128.640   15.619 -10.69463 25.08730 
1 1 1   21    4   11 o  228.560   11.251  656.586   64.218  662.431   94.138  651.500   87.826  228.105   16.641  226.464   15.626 1.640915 22.82746 
1 1 1   21    4   12 o   92.302   14.533  110.107   32.391   57.500   49.760  148.789   42.669   69.472   23.807  107.196   16.466 -37.72438 28.94655 
1 1 1   21    4   13 o  244.368   11.650  751.268   71.094  664.493  103.855  827.790   97.527  227.841   18.411  255.358   15.366 -27.51649 23.98046 
1 1 1   21    4   14 o  153.157   11.268  296.620   42.792  267.197   65.691  318.308   56.399  143.676   18.757  158.067   14.448 -14.39142 23.67624 
1 1 1   21    4   15 o  307.517   12.557  1192.31   96.432  1126.16  140.428  1251.34  132.655  296.423   19.072  313.334   17.018 -16.91010 25.56067 
1 1 1   21    4   16 o  233.279   11.259  685.206   65.586  642.503   97.632  720.325   88.540  223.898   17.604  237.971   14.976 -14.07219 23.11196 
1 1 1   21    4   17 o   92.279   14.472  110.404   32.251  104.819   52.295  113.831   40.971   88.317   23.355   92.837   18.323 -4.520439 29.68460 
1 1 1   21    4   18 o  293.910   12.589  1092.17   92.400  982.033  135.706  1187.37  126.161  275.512   19.858  304.611   16.649 -29.09958 25.91344 
1 1 1   21    4   19 o  242.688   11.444  743.872   69.354  622.960  104.169  840.145   92.950  219.068   19.237  256.622   14.565 -37.55429 24.12834 
1 1 1   21    4   20 o  222.398   11.388  626.968   63.032  550.315   96.888  683.219   82.998  205.516   19.097  231.147   14.452 -25.63091 23.94879 
1 1 1   21    4   21 o  167.064   15.098  359.827   62.306  309.705   85.265  417.254   91.268  151.646   23.258  177.534   20.993 -25.88766 31.33125 
1 1 1   21    4   22 o  153.432   22.553  317.438   83.832   0.0000   0.0000  317.438   83.832  ?   ?   153.432   22.553 0.000000 22.55265 
1 1 1   21    4   23 o  113.033   12.669  164.916   35.146  153.744   57.067  171.742   44.610  105.703   22.320  114.283   16.076 -8.579872 27.50674 
1 1 1   21    4   24 f  275.818   11.751  969.781   80.935  985.363  124.537  958.387  106.490  273.506   18.340  271.565   15.771 1.940796 24.18851 
1 1 1   21    4   25 o   62.868   17.089   53.475   27.532   55.304   47.194   52.531   33.899   66.073   23.154   62.739   19.540 3.333809 30.29741 
1 1 1   21    4   26 o  193.944   11.086  481.511   53.467  473.841   84.631  486.606   68.976  188.538   18.202  193.363   14.388 -4.824051 23.20150 
1 1 1   21    4   27 o   47.076   17.278   24.601   26.616 -14.6177   43.790   47.579   33.518   43.214   19.424   59.981   19.519 -16.76711 27.53679 
1 1 1   21    4   28 o  118.378   12.797  182.864   37.227  127.814   58.665  219.977   48.168   93.600   24.729  128.844   15.268 -35.24450 29.06223 
1 1 1   21    4   29 o  109.190   13.333  156.953   35.600   88.562   54.625  207.449   46.938   78.212   24.866  124.744   15.394 -46.53229 29.24580 
1 1 1   21    4   30 o  157.812   15.527  332.651   60.397  286.533  192.578  337.682   63.606  116.198   45.557  158.491   16.304 -42.29290 48.38610 
1 1 1   21    4   31 o   56.286   22.660   30.830   48.893   84.963  190.632   27.019   50.585   87.462   39.796   55.696   22.816 31.76594 45.87238 
1 1 1   21    5    0 o  210.760   10.725  559.037   56.261  591.704   81.213  528.894   78.014  216.016   15.151  204.115   15.419 11.90163 21.61728 
1 1 1   21    5    1 o  234.938   10.743  692.903   63.026  683.109   90.902  701.969   87.461  232.031   15.782  235.416   14.955 -3.384949 21.74238 
1 1 1   21    5    2 o  162.750   10.787  333.967   43.593  296.323   63.866  366.804   59.650  152.091   17.113  170.023   14.178 -17.93190 22.22343 
1 1 1   21    5    3 o  384.176   13.393  1858.38  128.486  1886.51  183.161  1831.13  180.285  385.430   19.030  379.256   19.097 6.174011 26.96004 
1 1 1   21    5    4 o  229.461   11.008  661.180   63.078  639.653   90.946  681.134   87.561  224.354   16.345  231.817   15.210 -7.463226 22.32755 
1 1 1   21    5    5 o  384.594   14.188  1864.52  136.266  1708.87  193.592  2017.36  191.839  365.442   21.306  398.450   19.280 -33.00754 28.73461 
1 1 1   21    5    6 o  167.562   10.986  354.082   45.716  306.492   66.325  397.159   63.101  154.604   17.487  176.902   14.409 -22.29822 22.65861 
1 1 1   21    5    7 o  340.931   13.276  1463.67  113.025  1320.62  160.956  1602.83  158.750  321.481   20.151  355.092   17.961 -33.61139 26.99409 
1 1 1   21    5    8 o  308.299   12.541  1195.92   96.553  1072.27  137.660  1315.65  135.459  289.865   19.125  321.934   16.909 -32.06949 25.52823 
1 1 1   21    5    9 o  202.509   10.696  516.374   53.901  484.818   78.591  544.399   74.064  195.118   16.278  207.258   14.400 -12.13974 21.73318 
1 1 1   21    5   10 o  237.450   10.399  707.842   61.663  726.502   90.186  691.461   84.499  239.363   15.166  233.640   14.555 5.723404 21.02078 
1 1 1   21    5   11 o  337.587   12.825  1435.04  108.118  1339.84  155.007  1525.25  150.882  323.956   19.247  346.360   17.501 -22.40479 26.01443 
1 1 1   21    5   12 o  152.381   11.499  293.573   43.432  262.757   65.060  318.348   58.335  142.599   18.723  158.063   14.957 -15.46393 23.96352 
1 1 1   21    5   13 o  172.276   11.438  374.825   48.927  285.340   72.380  450.122   66.394  148.297   20.060  188.313   14.224 -40.01595 24.59079 
1 1 1   21    5   14 o  238.447   11.385  715.149   67.793  631.568   99.421  787.784   92.682  222.155   18.078  249.170   14.965 -27.01559 23.46825 
1 1 1   21    5   15 o  132.732   12.030  223.648   39.441  162.792   60.892  267.632   51.767  110.582   22.808  144.799   14.512 -34.21715 27.03355 
1 1 1   21    5   16 o  263.098   12.060  872.290   79.233  739.620  116.440  986.694  108.127  239.721   19.623  278.543   15.608 -38.82185 25.07329 
1 1 1   21    5   17 o  139.578   11.881  247.328   41.017  200.368   63.859  280.307   53.515  123.095   21.560  148.051   14.668 -24.95547 26.07663 
1 1 1   21    5   18 o  295.630   12.242  1103.52   90.378  966.656  132.628  1222.17  123.488  273.713   19.532  309.499   16.033 -35.78543 25.26964 
1 1 1   21    5   19 o  220.059   11.245  612.519   61.588  556.580   93.554  655.302   81.817  207.559   18.235  226.677   14.530 -19.11726 23.31600 
1 1 1   21    5   20 o   50.602   17.390   30.264   26.559   24.664   45.340   33.190   32.769   55.777   22.030   54.140   19.263 1.637276 29.26370 
1 1 1   21    5   21 o  211.519   12.287  569.058   64.620  392.107  111.074  659.591   79.449  169.284   27.196  227.142   14.076 -57.85814 30.62296 
1 1 1   21    5   22 f   95.983   18.255  122.942   42.156  109.006   53.159  146.555   69.199   89.050   23.546  102.355   26.769 -13.30469 35.65057 
1 1 1   21    5   23 o  141.577   15.189  260.305   52.861  208.630   72.459  319.095   77.287  122.861   24.477  154.630   20.522 -31.76869 31.94190 
1 1 1   21    5   24 o  279.748   16.304  1017.17  113.405  808.284  158.535  1236.07  162.289  241.398   26.749  304.159   21.505 -62.76169 34.32161 
1 1 1   21    5   25 o  171.851   14.728  383.798   62.596  301.842   87.709  468.871   89.361  147.103   24.756  187.516   19.362 -40.41364 31.42850 
1 1 1   21    5   26 o   77.031   15.604   79.669   28.986   55.028   48.801   93.101   36.031   66.205   23.513   82.660   17.968 -16.45489 29.59222 
1 1 1   21    5   27 o  104.662   13.334  143.276   34.059  107.715   56.062  164.080   42.879   86.707   24.699  111.109   15.908 -24.40280 29.37841 
1 1 1   21    5   28 o  105.093   13.374  144.820   34.303  128.230   55.199  155.258   43.784   94.568   23.482  107.436   16.876 -12.86831 28.91709 
1 1 1   21    5   29 o   91.535   18.482  115.645   40.791   79.761   51.410  176.629   67.020   75.058   24.151  109.982   24.972 -34.92396 34.74036 
1 1 1   21    5   30 o   75.314   17.079   78.382   31.381   65.224   47.734   88.397   41.647   68.714   23.318   78.706   20.855 -9.992020 31.28366 
1 1 1   21    5   31 o   72.615   17.240   73.541   30.795   83.409   43.848   63.936   43.259   75.808   21.920   67.394   22.186 8.413742 31.18852 
1 1 1   21    6    0 o  174.834   10.610  385.078   46.103  329.997   66.396  436.357   64.064  160.662   16.798  185.585   13.925 -24.92291 21.81904 
1 1 1   21    6    1 o  164.439   10.800  340.923   44.102  324.687   64.019  355.587   60.841  159.459   16.307  167.277   14.715 -7.817810 21.96416 
1 1 1   21    6    2 o  175.470   10.722  387.946   46.756  395.873   68.254  380.938   64.180  176.370   15.660  173.124   14.993 3.246658 21.68045 
1 1 1   21    6    3 o  428.828   14.687  2319.53  157.282  2277.23  223.406  2361.09  221.468  422.069   21.265  430.555   20.598 -8.485687 29.60533 
1 1 1   21    6    4 o  229.071   11.287  659.142   64.563  555.253   92.272  758.790   90.369  208.571   17.889  244.805   14.853 -36.23434 23.25130 
1 1 1   21    6    5 o  247.104   10.791  766.629   66.590  727.750   95.855  802.892   92.574  239.423   16.126  251.853   14.784 -12.42990 21.87770 
1 1 1   21    6    6 o  324.562   12.700  1325.44  102.930  1229.37  146.568  1418.93  144.582  310.561   18.990  334.264   17.381 -23.70380 25.74369 
1 1 1   21    6    7 o  238.152   11.209  712.459   66.663  644.045   95.887  776.461   92.743  224.883   17.205  247.573   15.073 -22.69069 22.87393 
1 1 1   21    6    8 o  338.673   12.443  1442.95  105.232  1409.88  150.744  1474.39  146.970  332.877   18.203  340.722   17.330 -7.845856 25.13389 
1 1 1   21    6    9 o  111.201   12.452  157.478   33.986  124.737   50.461  184.659   45.978   97.039   21.399  119.892   15.737 -22.85342 26.56253 
1 1 1   21    6   10 o  144.077   11.219  262.373   40.048  237.872   59.147  283.114   54.420  135.830   17.872  149.050   14.817 -13.21996 23.21530 
1 1 1   21    6   11 o  112.228   12.359  160.363   34.064  146.967   51.822  170.554   45.201  105.685   20.374  115.026   16.184 -9.341141 26.01987 
1 1 1   21    6   12 o  159.230   11.383  320.303   44.965  275.798   66.449  357.895   61.071  146.191   18.625  167.733   14.729 -21.54158 23.74539 
1 1 1   21    6   13 o  119.997   11.993  182.938   35.456  218.793   54.380  156.424   46.763  130.288   17.129  109.699   17.671 20.58932 24.61029 
1 1 1   21    6   14 o  241.822   11.730  735.745   70.836  679.604  103.398  785.398   97.241  230.536   18.106  248.617   15.744 -18.08115 23.99403 
1 1 1   21    6   15 o  275.827   11.928  957.805   82.161  943.377  120.031  970.523  112.701  271.833   17.780  276.176   16.415 -4.342987 24.19924 
1 1 1   21    6   16 o  263.729   12.038  876.181   79.281  723.766  115.909  1010.18  108.681  237.170   19.750  281.955   15.495 -44.78488 25.10317 
1 1 1   21    6   17 o  167.831   11.398  356.298   47.486  330.071   72.818  375.703   62.637  159.776   18.599  171.631   14.758 -11.85487 23.74242 
1 1 1   21    6   18 o  249.752   11.779  786.547   73.462  765.280  109.484  803.963   99.075  244.108   18.089  251.020   15.887 -6.911972 24.07548 
1 1 1   21    6   19 o  182.346   11.389  420.972   51.602  386.941   78.979  446.319   68.163  172.792   18.597  186.929   14.721 -14.13765 23.71816 
1 1 1   21    6   20 o   54.904   17.374   38.191   26.690   46.385   45.623   33.928   32.909   63.617   22.719   54.567   19.316 9.050198 29.82061 
1 1 1   21    6   21 o  261.928   13.971  875.070   91.054  929.566  199.845  860.793  102.289  259.377   31.500  258.977   15.893 0.4000549 35.28286 
1 1 1   21    6   22 o   73.939   18.216   73.389   33.416   75.671   48.309   71.296   46.270   75.408   23.301   73.389   22.824 2.019295 32.61704 
1 1 1   21    6   23 o  178.195   11.003  403.700   48.720  347.496   76.842  441.481   63.003  162.227   19.350  185.486   13.699 -23.25845 23.70815 
1 1 1   21    6   24 o  107.664   12.512  149.623   33.012  145.128   55.107  152.139   41.228  102.759   22.129  107.563   15.822 -4.804359 27.20364 
1 1 1   21    6   25 o   93.025   13.731  113.241   30.939  112.405   52.504  113.686   38.294   89.685   23.250   92.067   17.291 -2.381310 28.97531 
1 1 1   21    6   26 o   78.893   19.187   85.416   37.435   63.711   52.504  107.860   53.390   70.216   24.432   87.447   23.809 -17.23052 34.11448 
1 1 1   21    6   27 o  114.068   16.368  173.037   45.288  173.147   63.143  172.921   64.992  110.766   23.553  110.338   24.249 0.4278488 33.80470 
1 1 1   21    6   28 o   45.567   16.992   21.966   25.929   51.673   43.938   6.0923   32.118   63.662   22.339   42.415   17.843 21.24632 28.59045 
1 1 1   21    6   29 o   59.524   17.672   48.035   28.174   31.459   46.087   57.926   35.600   56.714   22.271   65.044   19.986 -8.329876 29.92372 
1 1 1   21    6   30 o   55.493   17.770   40.946   27.858   35.672   43.532   44.604   36.254   57.071   21.851   58.740   20.310 -1.668926 29.83245 
1 1 1   21    6   31 o   77.104   16.566   81.873   30.946   92.384   46.278   73.372   41.621   79.804   22.339   71.719   21.522 8.084503 31.01976 
1 1 1   21    6   32 o   61.955   17.839   53.637   29.095   50.388   40.740   57.019   41.566   61.328   21.512   64.182   21.760 -2.853775 30.59787 
1 1 1   21    7    0 o  240.224   10.833  724.588   64.987  691.236   92.636  756.906   91.191  233.333   15.995  244.449   15.011 -11.11522 21.93577 
1 1 1   21    7    1 o  361.092   13.632  1642.48  122.920  1497.71  174.004  1786.69  173.666  342.361   20.446  375.211   18.535 -32.85040 27.59688 
1 1 1   21    7    2 o  169.997   10.781  364.264   45.531  357.242   65.848  370.696   63.027  167.406   15.944  170.768   14.930 -3.361984 21.84291 
1 1 1   21    7    3 o  412.402   14.328  2144.35  147.558  2021.21  209.185  2266.31  208.177  397.596   21.145  422.129   19.749 -24.53323 28.93278 
1 1 1   21    7    4 o  293.395   11.795  1081.93   86.420  1066.07  123.455  1097.18  121.015  289.690   17.142  294.069   16.547 -4.379791 23.82511 
1 1 1   21    7    5 o  287.741   12.400  1041.38   89.101  952.361  126.939  1127.84  125.096  273.288   18.713  298.063   16.876 -24.77530 25.19880 
1 1 1   21    7    6 o  158.619   10.565  317.210   41.608  274.606   60.554  355.317   57.268  146.373   16.876  167.370   13.826 -20.99670 21.81593 
1 1 1   21    7    7 o  189.470   10.439  451.941   49.198  461.103   71.387  443.652   67.898  190.538   15.128  186.973   14.660 3.565750 21.06544 
1 1 1   21    7    8 o  263.447   11.557  872.229   76.032  827.316  108.934  914.891  106.169  255.018   17.206  268.585   15.900 -13.56686 23.42818 
1 1 1   21    7    9 o  242.988   11.855  742.326   71.933  643.788  102.322  838.611  101.145  224.483   18.415  257.106   15.831 -32.62291 24.28433 
1 1 1   21    7   10 o  247.538   13.107  773.761   80.732  685.651  102.523  917.568  130.979  231.842   17.846  267.807   19.724 -35.96469 26.59899 
1 1 1   21    7   11 o  174.136   15.809  386.448   67.994  350.129  119.812  403.702   82.580  161.223   30.884  177.248   18.951 -16.02530 36.23459 
1 1 1   21    7   12 o   87.710   18.651  101.365   39.593  202.463   99.887   82.520   43.126  121.895   32.298   79.036   21.348 42.85927 38.71524 
1 1 1   21    7   13 o  134.718   13.245  230.856   43.984  192.177   60.870  273.117   63.626  121.060   20.890  145.635   17.870 -24.57480 27.49043 
1 1 1   21    7   14 o  281.879   14.015  1002.76   98.652  870.121  124.830  1223.42  161.003  260.662   19.315  308.646   21.014 -47.98434 28.54238 
1 1 1   21    7   15 o  293.435   13.915  1086.97  101.961  985.830  129.071  1254.85  166.289  277.632   18.726  312.264   21.455 -34.63205 28.47816 
1 1 1   21    7   16 o   83.639   16.794   91.868   33.858   43.196   50.100  132.784   45.935   64.253   23.686  100.480   19.003 -36.22704 30.36674 
1 1 1   21    7   17 o  150.991   11.906  288.968   44.527  237.881   67.735  327.845   59.088  134.740   20.801  160.237   14.939 -25.49762 25.60949 
1 1 1   21    7   18 o  315.212   12.879  1254.74  101.378  1155.62  147.216  1344.14  139.810  299.616   19.788  324.337   17.325 -24.72156 26.30008 
1 1 1   21    7   19 o  172.844   11.553  378.395   49.580  294.653   75.937  440.619   65.458  149.895   20.852  185.928   14.206 -36.03319 25.23089 
1 1 1   21    7   20 o  169.725   11.632  365.360   49.001  269.825   76.096  433.038   64.048  142.686   22.069  184.225   14.028 -41.53954 26.14960 
1 1 1   21    7   21 o   99.697   17.969  131.344   43.090  144.612   53.487  106.810   72.732  103.741   21.358   89.444   28.720 14.29700 35.79140 
1 1 1   21    7   22 o  217.128   11.245  597.772   60.762  497.988   92.966  672.187   80.282  195.179   19.328  229.307   14.088 -34.12796 23.91756 
1 1 1   21    7   23 o   63.604   16.810   53.991   27.103   40.963   46.852   60.544   33.227   61.562   22.864   67.296   18.961 -5.733311 29.70293 
1 1 1   21    7   24 o  149.230   11.330  284.140   41.908  164.790   66.789  361.643   53.821  108.678   25.114  167.944   12.933 -59.26590 28.24851 
1 1 1   21    7   25 o  145.626   11.220  271.010   40.487  231.799   65.451  295.313   51.529  131.038   20.689  151.190   13.800 -20.15181 24.86894 
1 1 1   21    7   26 o   92.968   13.650  113.173   30.746   73.906   52.208  134.023   38.043   74.132   24.372  100.655   15.643 -26.52337 28.96002 
1 1 1   21    7   27 o  175.785   11.261  395.597   49.171  303.520   78.643  454.695   63.004  148.858   21.803  187.499   13.547 -38.64108 25.66863 
1 1 1   21    7   28 o   49.825   17.202   30.349   26.001   24.133   44.050   33.673   32.211   53.927   21.579   53.322   19.085 0.6052666 28.80788 
1 1 1   21    7   29 o   56.645   19.913   39.784   34.920   39.996   46.035   39.496   53.590   59.727   22.565   61.714   24.077 -1.986580 32.99832 
1 1 1   21    7   30 o  133.252   15.348  235.402   50.137   92.072   64.465  454.809   79.759   80.170   27.099  184.219   17.550 -104.0481 32.28553 
1 1 1   21    7   31 o  133.529   12.184  232.082   40.179  173.570   61.866  274.768   52.840  109.531   23.333  143.979   14.913 -34.44872 27.69136 
1 1 1   21    7   32 o   73.138   16.904   74.261   30.255   96.213   43.934   54.461   41.726   81.575   21.327   63.370   21.796 18.20452 30.49448 
1 1 1   21    8    0 o  286.437   10.620  1030.06   75.966  1068.89  108.160  992.244  106.720  290.636   14.953  279.899   15.327 10.73700 21.41284 
1 1 1   21    8    1 o  377.862   15.555  1803.66  146.775  1745.28  177.759  1928.74  260.184  370.064   19.302  385.310   27.216 -15.24579 33.36599 
1 1 1   21    8    2 o  197.608   10.786  491.741   53.022  489.039   75.858  494.322   74.140  196.154   15.616  197.317   15.163 -1.162186 21.76593 
1 1 1   21    8    3 o  132.588   10.414  221.985   34.204  259.302   50.423  190.176   46.553  142.706   14.344  121.727   15.679 20.97881 21.25030 
1 1 1   21    8    4 f  159.553   10.675  321.011   42.287  323.788   61.340  318.496   58.376  159.364   15.614  158.180   14.956 1.183853 21.62130 
1 1 1   21    8    5 o  126.740   11.458  203.450   35.873  157.347   52.212  244.672   49.371  109.630   19.800  138.553   14.483 -28.92376 24.53209 
1 1 1   21    8    6 o   61.608   15.601   49.794   24.026   47.943   37.625   51.068   31.220   62.676   20.694   62.926   18.584 -0.2495766 27.81343 
1 1 1   21    8    7 o   94.272   14.159  114.461   32.303   82.506   46.054  145.410   45.322   79.231   22.322  105.724   17.799 -26.49332 28.54959 
1 1 1   21    8    8 o  271.183   16.758  934.258  112.926  908.095  174.095  953.261  148.373  263.866   26.793  272.267   22.011 -8.401062 34.67479 
1 1 1   21    8    9 f  210.178   15.492  561.034   80.740  586.933  134.329  546.385  101.025  211.899   25.927  206.288   19.856 5.610657 32.65674 
1 1 1   21    8   10 o  251.168   16.828  802.278  104.940  698.458  163.911  874.389  136.607  230.063   29.187  260.924   21.147 -30.86096 36.04309 
1 1 1   21    8   11 o  142.931   15.313  260.957   53.804  396.189  109.628  218.048   61.753  173.422   26.125  129.490   19.720 43.93266 32.73223 
1 1 1   21    8   12 o  130.981   17.040  220.895   54.415  118.494  109.181  254.737   62.767   99.352   35.181  140.498   18.326 -41.14655 39.66846 
1 1 1   21    8   13 o  255.715   16.029  830.643  101.841  947.358  164.916  758.699  129.479  270.107   24.724  242.646   21.594 27.46094 32.82679 
1 1 1   21    8   14 o  397.873   20.836  2028.28  206.295  1966.79  303.839  2080.86  280.990  385.305   31.864  398.713   28.407 -13.40802 42.68835 
1 1 1   21    8   15 o   92.317   18.951  112.353   42.224  129.751  105.341  109.022   46.088  101.387   34.639   90.603   20.809 10.78407 40.40866 
1 1 1   21    8   16 o  163.895   16.785  344.329   67.730  250.981  127.476  381.046   79.948  134.203   36.893  171.913   18.937 -37.70998 41.46945 
1 1 1   21    8   17 o  278.994   17.908  995.143  124.107  912.622  196.999  1049.45  159.808  261.262   30.786  284.566   22.677 -23.30402 38.23666 
1 1 1   21    8   18 o  455.799   21.838  2676.74  248.562  2935.96  367.825  2458.87  337.207  468.645   31.615  428.632   31.729 40.01367 44.79110 
1 1 1   21    8   19 o  153.461   16.933  303.564   63.810  269.614  131.300  314.062   73.011  137.689   37.274  155.443   19.219 -17.75417 41.93687 
1 1 1   21    8   20 o  271.757   22.618  965.506  152.095   0.0000   0.0000  965.506  152.095  ?   ?   271.757   22.618 0.000000 22.61757 
1 1 1   21    8   21 o  236.297   13.502  710.558   79.341  642.365  102.794  811.053  124.787  222.720   18.654  249.695   20.185 -26.97464 27.48507 
1 1 1   21    8   22 f  283.607   12.083  1018.60   85.572  913.398  127.009  1106.06  115.801  265.052   19.322  293.653   15.850 -28.60004 24.99153 
1 1 1   21    8   23 o  126.869   11.902  205.766   37.266  209.881   60.412  203.239   47.347  125.629   19.922  125.087   15.489 0.5416794 25.23421 
1 1 1   21    8   24 o   66.825   16.340   59.770   27.040   56.329   47.192   61.453   32.994   67.240   23.177   67.667   18.834 -0.4276199 29.86426 
1 1 1   21    8   25 o   96.956   13.050  122.063   30.793  114.146   52.013  126.336   38.209   90.745   22.941   97.701   16.230 -6.955780 28.10147 
1 1 1   21    8   26 o  123.718   11.848  196.774   36.157  174.017   59.935  209.796   45.337  112.400   22.141  126.879   14.574 -14.47906 26.50670 
1 1 1   21    8   27 f  181.277   10.982  419.794   49.478  346.874   79.608  465.693   63.159  160.356   20.337  189.937   13.402 -29.58171 24.35606 
1 1 1   21    8   28 o  139.291   11.399  249.298   39.301  217.999   64.911  267.411   49.381  125.819   21.427  143.302   13.977 -17.48347 25.58311 
1 1 1   21    8   29 o  136.277   11.540  239.247   38.903  162.489   63.048  286.440   49.436  106.574   24.238  148.396   13.488 -41.82264 27.73784 
1 1 1   21    8   30 o   65.936   16.977   59.571   28.122   28.569   46.937   76.932   35.124   56.096   22.332   74.448   18.869 -18.35218 29.23602 
1 1 1   21    8   31 o  135.504   15.518  244.177   51.563  184.753   67.103  329.855   80.575  112.626   24.552  153.702   21.588 -41.07626 32.69298 
1 1 1   21    8   32 o   71.013   20.604   71.568   38.681   66.896   46.142   82.614   70.948   69.105   22.922   76.704   28.200 -7.598679 36.34040 
1 1 1   21    8   33 o   51.332   17.524   34.076   26.962   7.4154   37.128   63.824   39.218   44.786   19.030   67.038   21.040 -22.25190 28.36914 
1 1 1   21    9    0 o  194.790   10.690  477.858   51.798  429.560   73.826  524.688   72.695  183.585   16.272  203.453   14.401 -19.86803 21.72977 
1 1 1   21    9    1 f  266.098   11.006  889.394   73.134  899.554  103.841  879.395  103.019  266.354   15.681  263.328   15.738 3.025787 22.21702 
1 1 1   21    9    2 o  177.928   10.783  398.977   47.684  366.934   68.048  429.891   66.838  169.580   16.269  184.016   14.667 -14.43620 21.90409 
1 1 1   21    9    3 o  396.616   14.180  1983.45  140.442  1918.66  198.858  2047.93  198.373  387.467   20.626  401.155   19.803 -13.68817 28.59352 
1 1 1   21    9    4 f  208.702   9.9953  546.501   52.092  548.621   74.512  544.475   72.855  208.075   14.429  207.340   14.156 0.7344055 20.21359 
1 1 1   21    9    5 f  224.632   10.455  633.408   58.649  627.606   83.775  638.984   82.135  222.449   15.172  224.566   14.728 -2.116653 21.14466 
1 1 1   21    9    6 o  195.000   12.648  480.459   61.257  390.635   78.464  620.659   98.027  174.551   18.272  220.522   17.957 -45.97067 25.61857 
1 1 1   21    9    7 o  515.667   23.245  3408.48  299.329  3805.85  432.851  3044.29  414.384  537.557   32.396  478.581   34.914 58.97601 47.62913 
1 1 1   21    9    8 f  179.362   15.154  409.033   67.238  430.039  117.695  398.856   81.922  180.621   26.916  176.221   18.912 4.399933 32.89581 
1 1 1   21    9    9 o  224.581   16.690  641.853   92.929  467.000  146.500  759.580  120.209  186.171   32.705  243.477   19.946 -57.30629 38.30775 
1 1 1   21    9   10 o  199.858   12.900  504.946   64.036  607.033  128.740  471.386   73.815  216.073   24.280  192.543   15.483 23.52974 28.79647 
1 1 1   21    9   11 o  147.239   11.327  274.039   41.327  213.784   61.381  324.003   55.894  128.163   19.818  159.663   14.166 -31.50017 24.36041 
1 1 1   21    9   12 o  112.935   12.646  162.520   35.051  142.294   53.227  178.005   46.575  103.750   21.259  117.520   16.310 -13.76986 26.79500 
1 1 1   21    9   13 o  273.611   11.460  941.213   78.300  871.507  112.929  1005.75  108.660  261.566   17.388  281.619   15.511 -20.05331 23.30104 
1 1 1   21    9   14 o  446.629   14.860  2520.45  165.731  2474.01  236.652  2565.14  232.170  439.637   21.556  448.064   20.750 -8.427185 29.92009 
1 1 1   21    9   15 o  144.656   11.615  264.901   41.605  232.257   62.681  290.609   55.625  133.704   19.335  150.907   14.958 -17.20276 24.44506 
1 1 1   21    9   16 f  271.656   11.605  928.670   78.726  912.163  114.368  943.535  108.533  267.458   17.215  272.411   16.025 -4.952545 23.51955 
1 1 1   21    9   17 o  167.349   11.462  354.112   47.612  290.243   71.624  404.680   63.731  149.509   19.661  178.329   14.435 -28.82042 24.39108 
1 1 1   21    9   18 o  252.040   11.956  800.595   75.249  674.360  110.260  910.648  102.951  228.802   19.483  267.543   15.475 -38.74121 24.88153 
1 1 1   21    9   19 o  134.279   14.921  231.349   49.186  272.219  133.988  224.984   52.877  138.386   37.733  132.033   16.390 6.353561 41.13933 
1 1 1   21    9   20 o  342.665   15.393  1493.04  131.715  2030.51  254.399  1296.20  153.957  392.287   26.119  316.988   19.545 75.29959 32.62175 
1 1 1   21    9   21 o  169.383   16.384  369.585   68.433  458.406  144.214  343.773   77.744  181.200   33.091  162.241   19.585 18.95940 38.45223 
1 1 1   21    9   22 o  146.898   17.407  280.625   62.613  187.594  136.422  305.451   70.474  115.526   39.419  152.830   18.866 -37.30443 43.70149 
1 1 1   21    9   23 o   67.634   20.886   60.007   38.824  133.483  130.020   52.814   40.680  102.187   38.061   64.737   21.524 37.45049 43.72556 
1 1 1   21    9   24 o  264.604   13.594  895.208   89.519  811.173  116.758  1015.06  139.439  249.122   18.909  277.945   20.228 -28.82321 27.69035 
1 1 1   21    9   25 o  161.310   11.219  331.718   44.911  288.368   71.057  360.555   57.955  147.140   19.845  167.274   14.003 -20.13370 24.28791 
1 1 1   21    9   26 o  115.418   12.047  171.510   34.211  115.582   57.085  202.854   42.735   90.750   24.582  125.027   13.924 -34.27685 28.25135 
1 1 1   21    9   27 o  220.546   11.199  620.786   61.474  524.146   95.997  687.965   80.038  198.163   19.659  230.845   13.950 -32.68163 24.10523 
1 1 1   21    9   28 o  197.133   11.119  496.879   54.512  421.795   86.955  545.495   69.969  176.973   20.029  205.344   13.724 -28.37082 24.27942 
1 1 1   21    9   29 o  105.015   12.446  143.365   32.005  108.770   53.819  162.292   39.808   87.345   23.955  110.990   14.726 -23.64486 28.11983 
1 1 1   21    9   30 o   39.923   15.930   11.928   23.933   21.481   41.545   7.1834   29.279   51.912   20.892   41.141   17.152 10.77159 27.03087 
1 1 1   21    9   31 o   49.394   16.970   30.356   25.290  -8.4451   41.399   53.456   31.943   43.209   19.189   62.521   18.875 -19.31282 26.91654 
1 1 1   21    9   32 o   85.013   15.155   97.502   30.994   91.010   48.890  101.864   40.077   79.263   23.212   85.207   19.285 -5.944145 30.17773 
1 1 1   21    9   33 o   92.263   14.526  114.354   32.361   97.017   47.383  129.511   44.303   81.445   22.535   96.032   19.146 -14.58656 29.57033 
1 1 1   21   10    0 o  647.583   21.143  5355.37  341.918  5269.52  483.616  5441.17  483.474  634.771   30.509  645.517   29.993 -10.74628 42.78294 
1 1 1   21   10    1 o  304.467   11.456  1165.12   87.099  1160.64  123.275  1169.60  123.077  302.415   16.385  303.611   16.293 -1.195618 23.10690 
1 1 1   21   10    2 o  218.843   11.354  603.437   61.834  556.031   87.466  650.802   87.427  208.877   16.914  226.417   15.557 -17.53992 22.98046 
1 1 1   21   10    3 o  444.657   14.875  2496.03  165.175  2402.41  233.417  2589.93  233.769  433.636   21.555  450.606   20.775 -16.96945 29.93715 
1 1 1   21   10    4 o  396.717   13.711  1983.51  135.832  2023.68  192.618  1943.78  191.578  398.886   19.337  390.325   19.719 8.561554 27.61810 
1 1 1   21   10    5 o  308.027   12.307  1193.60   94.663  1168.73  134.049  1218.34  133.699  303.072   17.790  309.594   17.364 -6.521667 24.85919 
1 1 1   21   10    6 o  329.634   17.691  1381.61  145.093  1447.43  216.361  1327.81  195.592  333.919   26.156  320.441   24.631 13.47815 35.92836 
1 1 1   21   10    7 o  462.202   20.626  2724.01  238.065  3208.70  347.601  2295.82  326.717  496.508   28.151  417.531   31.568 78.97702 42.29711 
1 1 1   21   10    8 o  211.137   15.931  566.757   83.377  471.944  133.811  626.931  106.601  188.436   29.396  221.172   19.501 -32.73523 35.27605 
1 1 1   21   10    9 o  418.069   15.734  2209.56  164.262  2661.60  295.227  2006.88  197.686  453.246   26.196  396.444   20.033 56.80130 32.97789 
1 1 1   21   10   10 o  379.224   13.042  1811.16  123.510  1781.88  175.877  1839.65  173.486  373.937   18.896  380.633   18.252 -6.696014 26.27146 
1 1 1   21   10   11 o  141.987   10.706  254.617   37.680  259.003   55.869  250.958   51.034  142.230   16.008  140.231   14.797 1.998352 21.79947 
1 1 1   21   10   12 o  122.414   11.728  190.133   35.412  167.201   52.939  208.705   47.640  113.103   19.444  127.642   15.248 -14.53918 24.70984 
1 1 1   21   10   13 o  170.115   11.465  365.465   48.422  287.203   70.779  434.322   66.390  148.984   19.492  184.931   14.492 -35.94719 24.28913 
1 1 1   21   10   14 o  199.730   11.097  502.935   55.129  430.477   80.588  566.671   75.582  183.284   17.833  211.376   14.405 -28.09193 22.92434 
1 1 1   21   10   15 o  307.723   11.921  1191.74   91.608  1206.76  132.504  1177.98  126.790  307.853   17.306  304.337   16.748 3.516296 24.08289 
1 1 1   21   10   16 o  110.540   12.922  156.080   34.997  136.793   53.623  170.392   46.191  101.436   21.817  114.776   16.598 -13.34030 27.41314 
1 1 1   21   10   17 o  129.455   12.244  212.992   39.113  111.618   58.485  295.014   52.608   91.324   24.942  152.185   14.000 -60.86111 28.60214 
1 1 1   21   10   18 o  342.843   13.283  1484.40  113.718  1464.38  163.987  1502.95  157.833  337.793   19.524  342.692   18.512 -4.899506 26.90505 
1 1 1   21   10   19 f  156.533   15.970  314.416   61.553   0.0000   0.0000  314.416   61.553  ?   ?   156.533   15.970 0.000000 15.97049 
1 1 1   21   10   20 o  127.723   13.344  208.587   41.932  149.328   58.956  269.252   59.651  105.357   23.049  144.382   16.862 -39.02488 28.55900 
1 1 1   21   10   21 o  107.491   13.000  148.329   34.187   69.884   54.724  198.540   43.782   74.532   24.969  124.249   14.376 -49.71684 28.81162 
1 1 1   21   10   22 o  275.113   11.831  957.165   81.277  928.940  120.964  980.394  109.739  268.168   18.171  276.572   15.957 -8.403809 24.18258 
1 1 1   21   10   23 o  159.345   11.388  322.772   45.014  323.258   71.473  322.453   57.952  157.202   18.565  158.296   14.833 -1.093994 23.76328 
1 1 1   21   10   24 o  257.394   13.899  847.531   89.008  946.697  195.102  821.467  100.023  260.768   30.539  252.441   15.949 8.326965 34.45317 
1 1 1   21   10   25 o  227.562   17.269  674.169   97.401  738.558  180.667  647.787  115.647  226.945   32.834  220.762   21.240 6.182465 39.10469 
1 1 1   21   10   26 o   98.752   20.060  132.567   47.782  -5.9232  142.373  150.146   50.724   79.098   35.326  105.263   20.029 -26.16486 40.60872 
1 1 1   21   10   27 o  160.096   17.830  338.990   70.072  252.149  161.913  359.003   77.728  124.011   42.919  164.014   19.350 -40.00291 47.07959 
1 1 1   21   10   28 o   78.111   17.150   82.683   32.537   82.608   49.362   82.740   43.266   77.187   23.500   77.234   21.593 -0.4649353E-01 31.91419 
1 1 1   21   10   29 o   74.879   15.178   75.220   27.409   63.465   47.786   80.982   33.460   69.145   23.331   77.001   17.763 -7.855804 29.32381 
1 1 1   21   10   30 o   45.026   16.601   22.024   24.612   15.252   42.954   25.335   30.031   50.612   20.911   48.781   18.268 1.831177 27.76629 
1 1 1   21   10   31 o   42.650   16.324   17.614   24.289   33.513   41.459   9.3047   29.970   55.906   21.344   42.222   17.458 13.68344 27.57375 
1 1 1   21   10   32 o   51.541   17.237   34.172   26.081   16.354   41.631   45.682   33.461   49.986   20.613   58.721   19.521 -8.735485 28.38962 
1 1 1   21   10   33 o   74.112   16.075   75.433   28.894   86.202   44.304   67.462   38.116   77.271   21.938   69.060   20.567 8.211060 30.07094 
1 1 1   21   11    0 o  365.005   14.487  1681.78  132.043  1601.78  186.577  1762.06  186.897  353.425   21.239  371.183   20.240 -17.75812 29.33834 
1 1 1   21   11    1 o  240.801   10.679  728.282   64.217  766.962   91.310  690.426   90.331  245.986   14.935  233.180   15.603 12.80545 21.59912 
1 1 1   21   11    2 o  229.766   11.821  665.620   67.596  601.211   95.709  729.722   95.481  216.972   17.822  239.651   16.047 -22.67946 23.98203 
1 1 1   21   11    3 o  343.471   12.543  1484.85  107.583  1476.46  151.928  1493.29  152.364  340.637   17.924  342.596   17.871 -1.959686 25.31092 
1 1 1   21   11    4 o  427.791   15.064  2311.41  160.920  2216.06  227.437  2406.98  227.713  415.661   21.990  434.211   21.001 -18.54990 30.40688 
1 1 1   21   11    5 o  370.507   13.318  1729.47  123.220  1683.41  173.880  1775.93  174.641  363.304   19.234  373.357   18.792 -10.05286 26.89024 
1 1 1   21   11    6 o  577.294   24.097  4283.85  347.383  5194.10  502.188  3448.64  481.041  628.034   32.128  505.852   38.367 122.1817 50.04236 
1 1 1   21   11    7 o  274.436   16.784  957.237  114.469  901.940  173.999  999.430  151.991  262.766   26.896  278.705   22.018 -15.93958 34.75897 
1 1 1   21   11    8 o  121.651   13.835  188.914   41.280  137.951   94.283  201.000   45.915  102.713   32.670  125.305   14.970 -22.59189 35.93636 
1 1 1   21   11    9 o  133.833   11.223  226.632   37.163  218.249   54.474  233.931   50.828  130.156   17.180  135.234   15.321 -5.077240 23.01926 
1 1 1   21   11   10 o  224.222   11.431  633.577   63.791  591.241   91.225  674.086   89.236  215.339   17.105  230.401   15.602 -15.06209 23.15182 
1 1 1   21   11   11 o  255.679   11.284  821.640   72.045  832.479  103.601  811.490  100.257  255.951   16.294  252.780   15.965 3.171066 22.81129 
1 1 1   21   11   12 o  130.929   11.431  217.118   36.999  203.855   55.183  227.951   49.870  125.467   18.139  133.469   15.236 -8.001869 23.68867 
1 1 1   21   11   13 o  308.603   12.934  1199.75   99.672  1075.83  142.289  1319.15  139.664  289.886   19.774  321.981   17.435 -32.09531 26.36270 
1 1 1   21   11   14 o   98.392   13.218  124.152   31.656   72.407   48.330  163.028   41.892   75.084   23.323  112.558   15.301 -37.47340 27.89389 
1 1 1   21   11   15 o  106.363   12.649  144.478   32.939  137.780   50.311  149.503   43.576  102.140   20.439  107.351   16.806 -5.210793 26.46110 
1 1 1   21   11   16 o  289.626   13.023  1057.72   94.191  830.997  134.611  1275.22  131.844  253.770   21.442  316.585   16.736 -62.81538 27.20092 
1 1 1   21   11   17 o  272.605   11.964  935.983   81.444  925.726  118.319  945.220  112.278  269.178   17.701  272.384   16.586 -3.205475 24.25703 
1 1 1   21   11   18 o  327.028   12.372  1348.54  101.040  1304.88  147.293  1387.34  138.863  319.242   18.556  329.892   16.913 -10.65024 25.10757 
1 1 1   21   11   19 o  271.009   13.926  931.676   93.924  909.141  113.630  980.282  166.880  266.621   17.158  273.517   24.699 -6.896301 30.07379 
1 1 1   21   11   20 o  123.144   12.289  193.323   37.286  127.829   57.829  239.920   48.779   97.250   23.967  136.814   14.498 -39.56334 28.01088 
1 1 1   21   11   21 o   75.527   15.719   75.247   28.682   58.194   47.947   84.750   35.792   68.814   23.370   79.766   18.350 -10.95183 29.71357 
1 1 1   21   11   22 o  105.582   12.967  143.310   33.469   88.215   53.441  178.866   42.931   81.244   24.389  117.624   14.954 -36.38037 28.60844 
1 1 1   21   11   23 o  291.452   12.028  1075.87   87.540  996.266  129.961  1141.99  118.441  277.018   18.900  298.278   15.959 -21.25980 24.73638 
1 1 1   21   11   24 f  114.873   12.221  169.258   34.520  152.775   56.179  179.256   43.754  106.111   21.926  117.411   15.285 -11.29961 26.72846 
1 1 1   21   11   25 o  277.495   11.686  977.521   80.975  965.360  122.299  987.014  108.052  272.127   18.100  276.608   15.708 -4.480927 23.96567 
1 1 1   21   11   26 o  118.972   12.003  181.888   35.172   94.722   57.891  232.886   44.281   82.912   25.488  134.337   13.378 -51.42503 28.78575 
1 1 1   21   11   27 o   94.789   13.496  117.317   31.043   66.835   52.825  143.948   38.367   71.699   24.529  104.643   15.121 -32.94387 28.81533 
1 1 1   21   11   28 o   55.427   18.168   39.387   29.019   10.292  146.983   40.567   29.602   80.973   36.048   56.150   18.346 24.82354 40.44820 
1 1 1   21   11   29 o   78.278   20.478   84.992   40.489  170.940  151.472   78.379   42.018  105.899   40.709   75.169   21.372 30.73057 45.97855 
1 1 1   21   11   30 o  115.013   19.684  180.851   54.501   76.214  165.632  193.556   57.715   91.204   39.489  118.821   20.173 -27.61729 44.34328 
1 1 1   21   11   31 o   79.382   17.247   86.177   33.212   81.300   50.253   89.960   44.254   75.976   23.812   79.800   21.655 -3.824341 32.18626 
1 1 1   21   11   32 o   70.207   16.334   67.489   28.097   46.712   45.800   80.028   35.579   61.727   22.663   75.753   18.876 -14.02591 29.49438 
1 1 1   21   11   33 f   50.541   17.231   32.486   26.066   37.193   40.721   29.218   33.927   56.614   21.258   51.403   19.383 5.211239 28.76820 
1 1 1   21   11   34 o   96.594   13.795  124.443   32.330  113.864   48.530  132.884   43.349   88.344   22.064   97.586   18.465 -9.241699 28.77081 
1 1 1   21   12    0 o  364.058   13.424  1671.01  122.038  1595.69  172.374  1746.70  172.802  353.318   19.614  370.065   18.760 -16.74802 27.14157 
1 1 1   21   12    1 o  233.135   9.9184  682.206   57.743  698.769   81.672  665.651   81.650  234.938   13.984  229.203   14.338 5.735199 20.02806 
1 1 1   21   12    2 o  217.800   10.525  595.773   57.244  600.901   81.135  590.691   80.777  217.579   15.025  215.698   15.092 1.880783 21.29561 
1 1 1   21   12    3 o  306.171   12.094  1179.45   92.468  1172.71  130.661  1186.21  130.878  303.613   17.305  305.386   17.232 -1.772827 24.42169 
1 1 1   21   12    4 o  280.752   12.355  992.021   86.618  889.330  122.367  1095.15  122.625  263.857   18.692  293.542   16.798 -29.68494 25.13146 
1 1 1   21   12    5 o  111.618   12.009  158.494   32.947  126.462   47.456  188.300   45.778   97.910   20.083  121.102   15.493 -23.19183 25.36444 
1 1 1   21   12    6 o  193.481   15.477  476.133   74.152  412.653  122.401  512.939   93.203  176.032   28.844  200.001   18.885 -23.96901 34.47632 
1 1 1   21   12    7 o  418.556   19.693  2231.49  205.839  2515.88  301.688  1983.79  281.553  439.487   27.630  389.131   29.187 50.35599 40.19065 
1 1 1   21   12    8 o  382.984   12.922  1847.30  123.585  1884.27  175.475  1810.92  174.085  385.153   18.244  377.502   18.467 7.650452 25.95926 
1 1 1   21   12    9 o  321.281   11.390  1297.55   91.382  1348.56  130.166  1247.97  128.320  326.477   15.966  313.528   16.447 12.94876 22.92193 
1 1 1   21   12   10 o  335.982   12.983  1421.94  108.927  1468.57  155.078  1376.54  153.035  339.489   18.361  328.513   18.732 10.97595 26.23008 
1 1 1   21   12   11 o  242.508   10.507  738.594   63.632  782.611   91.781  697.854   88.298  248.480   14.860  234.519   15.158 13.96153 21.22692 
1 1 1   21   12   12 o  419.905   13.861  2224.16  145.348  2252.15  206.958  2196.92  204.175  420.356   19.716  415.179   19.693 5.176849 27.86638 
1 1 1   21   12   13 o  156.841   11.030  310.666   42.925  272.828   62.944  343.561   58.689  145.578   17.677  164.338   14.448 -18.76030 22.83005 
1 1 1   21   12   14 o  335.307   12.390  1415.74  103.743  1407.96  148.467  1423.17  145.024  332.390   17.953  334.379   17.428 -1.989319 25.02137 
1 1 1   21   12   15 o  244.126   11.552  749.781   70.424  704.056  101.698  791.911   97.618  234.818   17.468  249.615   15.741 -14.79697 23.51435 
1 1 1   21   12   16 o  384.072   14.242  1863.81  136.594  1712.85  195.205  2008.64  191.204  364.857   21.520  396.763   19.298 -31.90616 28.90554 
1 1 1   21   12   17 o  189.974   11.355  455.773   53.622  395.845   79.154  506.602   72.897  175.354   18.348  199.581   14.731 -24.22670 23.52939 
1 1 1   21   12   18 o  164.282   13.605  343.269   55.313  436.920  138.391  325.464   60.342  178.938   32.153  159.538   15.335 19.40015 35.62258 
1 1 1   21   12   19 o  241.174   12.158  735.469   72.986  858.532   96.377  569.987  111.759  259.820   14.917  209.267   21.702 50.55324 26.33370 
1 1 1   21   12   20 o  184.111   11.115  428.658   50.865  374.262   76.496  471.770   68.101  170.109   18.295  192.414   14.275 -22.30560 23.20545 
1 1 1   21   12   21 o  133.365   11.777  226.274   38.818  199.794   60.423  244.883   50.653  122.960   20.393  138.034   14.933 -15.07480 25.27598 
1 1 1   21   12   22 o  119.215   12.241  181.635   35.926  152.015   56.992  201.165   46.278  106.228   22.200  124.798   15.161 -18.56961 26.88286 
1 1 1   21   12   23 o  102.540   13.146  135.570   32.886  128.994   53.542  139.553   41.674   97.451   22.462  103.093   16.764 -5.641701 28.02808 
1 1 1   21   12   24 o  245.599   11.826  764.558   72.527  666.842  108.988  842.223   97.165  225.743   19.526  256.082   15.264 -30.33971 24.78373 
1 1 1   21   12   25 o  167.025   11.045  354.901   45.807  296.642   72.394  393.800   59.155  149.510   19.883  175.155   13.632 -25.64507 24.10748 
1 1 1   21   12   26 o  109.446   12.258  154.324   32.928  139.107   54.851  162.897   41.172  100.489   22.427  111.603   15.166 -11.11402 27.07339 
1 1 1   21   12   27 o  133.504   11.408  228.317   37.668  197.499   62.245  246.124   47.315  120.295   21.510  137.817   13.940 -17.52173 25.63234 
1 1 1   21   12   28 o  147.442   11.262  278.394   41.151  265.758   67.675  285.807   51.834  140.458   19.847  148.346   14.164 -7.887375 24.38340 
1 1 1   21   12   29 o   55.854   16.585   41.513   24.814   19.069   44.669   51.530   29.841   52.731   21.502   61.835   18.142 -9.103508 28.13335 
1 1 1   21   12   30 o   53.616   16.632   37.840   24.588   23.653   44.446   44.096   29.516   53.930   21.642   57.771   18.269 -3.840740 28.32235 
1 1 1   21   12   31 o  207.261   13.573  557.766   69.862  717.757  206.581  537.105   74.236  206.322   41.533  202.658   14.771 3.663193 44.08113 
1 1 1   21   12   32 o   69.033   20.950   66.281   39.276  157.315  179.844   61.722   40.247  101.395   42.412   67.022   21.348 34.37283 47.48183 
1 1 1   21   12   33 o   59.566   20.728   46.039   37.791   44.191  190.024   46.115   38.562   87.060   39.659   59.744   20.930 27.31580 44.84343 
1 1 1   21   12   34 o   92.159   15.742  115.331   34.928   83.298   49.304  147.602   49.487   75.633   23.567  102.192   20.108 -26.55851 30.97974 
1 1 1   21   13    0 o  189.842   13.536  456.857   63.748  464.108   73.217  434.134  129.606  190.909   15.492  179.960   29.889 10.94936 33.66492 
1 1 1   21   13    1 o  234.443   12.931  694.681   75.410  698.289   87.740  684.481  147.522  234.551   15.060  228.449   26.342 6.101471 30.34291 
1 1 1   21   13    2 f  268.858   12.031  909.711   80.777  873.702  113.719  946.381  114.759  261.782   17.496  272.671   16.938 -10.88898 24.35170 
1 1 1   21   13    3 o  363.882   12.246  1666.75  111.276  1622.51  156.794  1711.65  157.950  357.496   17.563  367.302   17.221 -9.805878 24.59712 
1 1 1   21   13    4 o  362.078   13.155  1652.20  118.947  1610.40  168.063  1694.16  168.371  355.205   19.016  364.535   18.557 -9.330383 26.57035 
1 1 1   21   13    5 o  128.115   10.826  207.668   34.311  183.968   49.775  229.125   47.361  119.273   17.210  133.980   14.380 -14.70687 22.42699 
1 1 1   21   13    6 o  105.209   15.629  142.929   39.813  319.671   94.031  104.324   43.946  155.662   25.039   88.730   20.277 66.93217 32.21960 
1 1 1   21   13    7 o  404.485   18.358  2079.54  185.430  2539.91  275.168  1696.57  250.973  443.076   24.971  360.134   28.130 82.94254 37.61487 
1 1 1   21   13    8 o  134.324   11.184  228.324   37.175  229.945   54.005  226.864   51.251  133.769   16.518  133.029   15.732 0.7396393 22.81097 
1 1 1   21   13    9 o  114.776   11.900  167.466   33.610  147.624   49.133  184.919   46.079  106.137   19.246  119.913   15.771 -13.77643 24.88243 
1 1 1   21   13   10 o  189.077   10.182  450.141   47.897  500.483   69.705  405.109   65.925  198.658   14.143  178.458   14.931 20.20026 20.56590 
1 1 1   21   13   11 f  261.930   11.054  862.288   72.305  879.885  103.336  845.409  101.207  263.238   15.793  258.013   15.784 5.225342 22.32829 
1 1 1   21   13   12 o  212.784   11.318  570.857   59.921  527.093   86.008  612.136   83.530  203.159   17.112  219.498   15.336 -16.33928 22.97861 
1 1 1   21   13   13 o  116.971   11.712  173.811   33.750  173.810   50.410  173.811   45.436  115.647   18.045  116.098   16.106 -0.4504852 24.18691 
1 1 1   21   13   14 o  321.884   12.236  1304.58   98.350  1325.89  140.529  1284.13  137.691  322.641   17.507  317.533   17.431 5.108826 24.70557 
1 1 1   21   13   15 o  320.737   12.333  1295.75   98.779  1276.48  141.376  1314.13  138.072  316.316   17.972  321.219   17.276 -4.902649 24.92930 
1 1 1   21   13   16 o  149.466   11.603  282.833   42.967  281.445   64.068  283.967   57.925  147.761   17.717  148.897   15.821 -1.136337 23.75256 
1 1 1   21   13   17 o  275.607   16.440  967.631  112.633   0.0000   0.0000  967.631  112.633  ?   ?   275.607   16.440 0.000000 16.44027 
1 1 1   21   13   18 o  240.244   16.324  736.437   97.351  736.437   97.351   0.0000   0.0000  240.244   16.324  ?   ?  0.000000 16.32373 
1 1 1   21   13   19 o  238.050   11.057  713.584   65.727  694.807   96.398  729.897   89.850  233.086   16.672  239.429   15.105 -6.342590 22.49684 
1 1 1   21   13   20 o  147.071   11.433  274.318   41.660  264.973   63.404  281.418   55.263  142.849   18.187  148.122   15.154 -5.273529 23.67255 
1 1 1   21   13   21 o  180.541   11.191  412.672   50.207  353.188   75.559  459.700   67.183  164.890   18.680  189.793   14.280 -24.90314 23.51282 
1 1 1   21   13   22 o  194.089   11.365  477.343   54.841  472.664   82.781  481.002   73.211  191.225   17.531  193.709   15.258 -2.483673 23.24096 
1 1 1   21   13   23 o  221.893   11.209  623.839   61.909  617.559   93.310  628.777   82.745  218.626   17.231  221.490   15.049 -2.864487 22.87778 
1 1 1   21   13   24 o  384.409   13.965  1883.80  134.059  1770.55  194.463  1986.36  185.063  367.178   21.300  391.375   18.935 -24.19727 28.49991 
1 1 1   21   13   25 o  140.494   11.624  252.037   40.417  195.229   64.375  288.998   51.926  119.914   22.319  149.779   14.047 -29.86544 26.37197 
1 1 1   21   13   26 o   90.680   13.715  107.375   30.087   65.266   50.240  130.921   37.568   71.052   23.923   99.742   15.594 -28.69007 28.55672 
1 1 1   21   13   27 o  139.562   11.475  249.376   39.639  174.126   64.240  295.643   50.372  111.864   23.732  151.361   13.467 -39.49655 27.28664 
1 1 1   21   13   28 o  194.593   10.920  483.042   52.852  491.572   84.943  477.654   67.511  192.980   17.828  192.121   14.172 0.8593597 22.77451 
1 1 1   21   13   29 o  119.954   11.553  185.258   34.179  153.455   57.711  202.441   42.419  104.712   22.723  124.644   13.863 -19.93105 26.61797 
1 1 1   21   13   30 o   86.787   13.450   99.123   28.206  123.757   50.828   88.161   33.906   93.879   22.056   80.493   17.377 13.38601 28.07866 
1 1 1   21   13   31 o  171.252   11.313  376.679   48.109  318.437   78.780  411.315   60.753  152.115   21.325  177.806   13.790 -25.69122 25.39580 
1 1 1   21   13   32 o  102.328   12.716  136.976   31.793  133.823   53.735  138.674   39.437   96.820   22.631  101.650   16.070 -4.829887 27.75655 
1 1 1   21   13   33 o  140.738   11.561  256.376   40.272  181.952   64.826  303.149   51.391  112.051   23.897  152.076   13.679 -40.02515 27.53500 
1 1 1   21   13   34 o   87.502   14.476  102.827   30.525   63.990   49.820  126.169   38.623   68.256   23.797   96.109   16.699 -27.85265 29.07148 
1 1 1   21   14    0 o  244.322   13.625  755.716   82.800  744.649   96.188  787.378  162.698  241.890   16.015  244.606   27.091 -2.716614 31.47018 
1 1 1   21   14    1 f  179.020   13.347  406.445   59.237  414.100   66.958  378.870  127.076  180.344   15.004  167.085   31.614 13.25903 34.99391 
1 1 1   21   14    2 o  422.518   16.341  2262.99  172.414  2151.90  207.497  2510.78  309.885  410.370   20.248  437.584   28.515 -27.21420 34.97242 
1 1 1   21   14    3 o  139.974   14.629  250.176   50.379  261.110   56.426  207.208  111.854  142.702   16.117  122.839   34.851 19.86280 38.39734 
1 1 1   21   14    4 o  524.963   16.367  3492.51  214.560  3454.41  302.746  3530.96  304.127  518.113   23.399  523.924   23.245 -5.811157 32.98291 
1 1 1   21   14    5 o  213.637   10.611  573.434   56.611  596.659   80.131  550.290   79.990  216.777   14.893  207.995   15.512 8.781570 21.50381 
1 1 1   21   14    6 o  109.784   15.690  155.479   41.790  225.397   95.698  139.005   46.453  128.723   30.278  103.000   18.751 25.72226 35.61415 
1 1 1   21   14    7 o  160.425   16.001  328.956   63.247  187.135  111.162  396.842   76.909  117.375   35.161  175.912   17.750 -58.53704 39.38787 
1 1 1   21   14    8 o  435.319   12.793  2387.43  139.071  2476.42  197.025  2299.06  196.330  441.486   17.871  425.124   18.494 16.36285 25.71753 
1 1 1   21   14    9 o  199.490   10.596  501.346   52.595  474.989   75.183  526.609   73.605  193.119   15.726  203.680   14.567 -10.56068 21.43667 
1 1 1   21   14   10 o  457.084   13.034  2633.11  148.774  2811.58  211.351  2457.82  209.459  470.345   17.994  439.274   19.095 31.07025 26.23750 
1 1 1   21   14   11 o  246.268   11.338  762.651   69.729  735.756   99.455  788.653   97.789  240.350   16.673  249.122   15.801 -8.772202 22.97105 
1 1 1   21   14   12 o  321.082   12.121  1297.81   97.186  1372.72  139.036  1226.23  135.901  328.506   17.007  310.226   17.615 18.28012 24.48530 
1 1 1   21   14   13 f  237.900   10.341  710.947   61.433  809.554   88.868  620.697   85.019  252.822   14.133  220.938   15.508 31.88354 20.98170 
1 1 1   21   14   14 o  238.656   10.556  715.733   62.910  748.099   90.783  685.833   87.257  242.744   15.051  232.366   15.120 10.37833 21.33376 
1 1 1   21   14   15 o  459.048   15.408  2668.09  176.631  2642.86  250.861  2692.89  248.742  453.532   22.150  458.038   21.747 -4.505951 31.04109 
1 1 1   21   14   16 o  390.193   13.616  1922.53  132.674  1937.91  189.354  1907.70  185.952  389.478   19.469  386.522   19.265 2.955841 27.38963 
1 1 1   21   14   17 o   65.080   16.329   55.854   26.494   22.037   43.878   75.260   33.238   54.664   21.646   75.397   17.918 -20.73343 28.09925 
1 1 1   21   14   18 o  335.871   12.848  1424.07  107.761  1469.87  154.933  1381.16  149.981  338.836   18.379  328.433   18.360 10.40280 25.97896 
1 1 1   21   14   19 o  191.492   10.980  463.241   52.286  426.984   77.579  493.417   70.775  182.248   17.252  196.817   14.502 -14.56888 22.53753 
1 1 1   21   14   20 o  197.699   10.634  493.610   52.307  510.438   78.294  480.044   70.297  199.699   15.830  193.979   14.620 5.720810 21.54786 
1 1 1   21   14   21 o  131.153   12.036  219.099   38.981  179.334   59.592  248.837   51.535  116.032   21.354  139.102   15.077 -23.07061 26.13999 
1 1 1   21   14   22 o  224.857   11.111  638.303   62.386  642.565   93.270  634.853   83.924  223.438   16.840  222.708   15.181 0.7299957 22.67239 
1 1 1   21   14   23 o   89.499   13.716  104.070   29.679   84.268   48.581  115.860   37.487   79.179   23.125   93.777   16.616 -14.59797 28.47526 
1 1 1   21   14   24 f  249.438   11.490  787.920   71.568  701.833  106.815  858.050   96.409  232.145   18.581  258.630   14.992 -26.48534 23.87515 
1 1 1   21   14   25 o  190.150   11.215  459.711   53.019  446.218   82.119  469.356   69.428  184.738   18.031  190.939   14.673 -6.201050 23.24659 
1 1 1   21   14   26 o  146.567   11.266  274.195   40.919  234.234   65.438  299.851   52.434  132.086   20.504  152.460   13.926 -20.37350 24.78606 
1 1 1   21   14   27 o  108.344   12.055  151.332   32.062  127.902   53.958  164.120   39.863   95.930   22.851  112.103   14.585 -16.17227 27.10859 
1 1 1   21   14   28 o  204.694   10.768  533.968   54.847  519.880   86.841  543.317   70.743  198.606   17.695  205.119   13.893 -6.512680 22.49742 
1 1 1   21   14   29 o  217.665   11.318  605.719   61.306  512.028   96.464  669.203   79.405  195.231   20.072  227.402   14.052 -32.17096 24.50211 
1 1 1   21   14   30 o  152.131   11.348  297.088   42.799  229.467   69.928  337.591   54.120  128.438   22.629  161.307   13.561 -32.86893 26.38163 
1 1 1   21   14   31 f  153.498   11.081  302.486   42.189  285.077   70.475  312.210   52.670  144.636   20.052  154.826   13.766 -10.18935 24.32265 
1 1 1   21   14   32 o   59.722   16.360   48.519   25.118   37.198   46.178   53.276   29.934   58.666   22.495   62.437   18.128 -3.771385 28.89053 
1 1 1   21   14   33 o  195.416   11.194  491.621   54.397  375.540   87.603  564.466   69.396  163.840   21.965  208.088   13.427 -44.24811 25.74330 
1 1 1   21   14   34 f   48.909   16.609   30.372   24.217 -10.7470   40.278   53.652   30.306   41.817   18.725   62.254   18.288 -20.43695 26.17386 
1 1 1   21   15    0 o  148.342   15.033  281.304   54.918  309.663   61.462  168.999  122.309  155.464   16.063  112.795   37.314 42.66910 40.62454 
1 1 1   21   15    1 o  443.247   17.320  2497.66  191.714  2419.86  230.975  2669.96  343.737  434.310   21.297  448.783   30.859 -14.47333 37.49474 
1 1 1   21   15    2 o  316.078   14.281  1262.59  112.718  1290.56  133.784  1194.17  209.267  318.375   16.888  301.089   28.160 17.28574 32.83545 
1 1 1   21   15    3 o  399.556   15.485  2021.47  154.507  1885.84  184.960  2334.67  281.066  383.967   19.352  422.852   26.756 -38.88507 33.02082 
1 1 1   21   15    4 f  112.177   15.757  162.359   42.922  157.443   46.821  188.246  107.439  109.998   17.641  117.377   34.420 -7.379135 38.67796 
1 1 1   21   15    5 o   97.141   16.900  123.057   39.508  106.959   42.502  225.400  107.163   89.910   19.492  127.977   33.236 -38.06703 38.53009 
1 1 1   21   15    6 o  183.744   14.723  429.417   66.988  491.240  118.191  400.159   81.308  193.470   25.052  176.318   18.754 17.15166 31.29425 
1 1 1   21   15    7 o  123.229   15.864  195.349   47.684  151.657   97.690  209.014   54.635  106.621   33.165  127.100   17.694 -20.47875 37.58988 
1 1 1   21   15    8 o  133.377   11.273  225.284   37.196  206.900   53.692  242.248   51.578  126.505   17.462  137.568   15.272 -11.06299 23.19796 
1 1 1   21   15    9 o  476.462   14.695  2869.33  174.838  2958.57  247.508  2780.46  247.008  481.001   20.606  465.961   21.228 15.03983 29.58443 
1 1 1   21   15   10 o  329.816   11.204  1367.92   92.276  1451.48  131.388  1286.59  129.626  338.632   15.537  318.180   16.370 20.45160 22.56943 
1 1 1   21   15   11 f  143.004   11.010  258.603   39.016  234.905   56.732  279.870   53.744  134.986   17.223  148.095   14.728 -13.10870 22.66125 
1 1 1   21   15   12 o  162.257   10.862  332.413   43.758  296.281   63.418  365.246   60.454  151.879   17.013  169.427   14.426 -17.54808 22.30615 
1 1 1   21   15   13 o  196.267   10.422  485.359   50.896  526.324   73.858  448.314   70.235  203.537   14.629  187.654   15.116 15.88246 21.03566 
1 1 1   21   15   14 o  288.009   11.649  1044.07   83.782  1063.94  119.833  1025.06  117.183  289.069   16.671  283.742   16.611 5.327087 23.53405 
1 1 1   21   15   15 o  499.364   16.961  3168.20  211.506  3039.05  299.757  3296.24  298.476  483.721   24.900  505.253   23.656 -21.53214 34.34591 
1 1 1   21   15   16 f  429.621   20.344  2364.61  218.259   0.0000   0.0000  2364.61  218.259  ?   ?   429.621   20.344 0.000000 20.34394 
1 1 1   21   15   17 o  184.307   16.421  434.837   74.785  434.837   74.785   0.0000   0.0000  184.307   16.421  ?   ?  0.000000 16.42078 
1 1 1   21   15   18 o  274.026   11.626  946.277   79.556  959.744  114.592  933.747  110.535  274.110   16.822  270.496   16.442 3.614563 23.52290 
1 1 1   21   15   19 o  123.106   11.700  192.779   35.535  216.471   54.597  175.365   46.807  129.183   17.364  116.254   16.594 12.92836 24.01826 
1 1 1   21   15   20 o  114.282   11.855  166.570   33.340  157.162   52.145  173.074   43.359  108.961   19.898  115.712   15.387 -6.751335 25.15306 
1 1 1   21   15   21 o  381.721   13.138  1845.81  125.231  1913.32  180.636  1783.33  173.769  385.782   18.750  372.012   18.766 13.76959 26.52804 
1 1 1   21   15   22 o  127.622   11.660  207.534   36.749  182.123   57.006  225.603   48.071  117.116   20.223  132.328   14.801 -15.21236 25.06066 
1 1 1   21   15   23 o  191.737   13.926  470.188   66.224  472.820   80.813  464.806  115.551  191.135   17.112  185.584   25.616 5.551132 30.80638 
1 1 1   21   15   24 o  123.619   17.557  200.685   52.677  209.219   65.529  185.097   88.561  124.695   21.840  114.047   30.503 10.64776 37.51545 
1 1 1   21   15   25 o   67.723   21.270   60.325   40.073   34.081   48.332  118.044   71.677   59.595   22.972   92.166   28.366 -32.57164 36.50130 
1 1 1   21   15   26 o  120.900   17.101  192.765   50.191  178.843   63.721  215.519   81.464  113.988   23.175  123.539   27.147 -9.550713 35.69427 
1 1 1   21   15   27 o  143.603   20.841  277.993   72.555  451.799  153.880  228.309   82.274  172.032   36.924  126.944   26.795 45.08820 45.62211 
1 1 1   21   15   28 o  179.509   11.211  411.686   50.002  273.349   78.276  507.046   64.990  140.879   23.047  198.453   13.189 -57.57341 26.55432 
1 1 1   21   15   29 o   76.590   14.332   77.963   26.404  125.051   47.387   56.762   31.797   95.204   20.536   64.718   18.653 30.48582 27.74253 
1 1 1   21   15   30 o  188.288   11.338  454.229   53.062  379.310   85.159  501.776   67.842  166.993   20.878  196.695   13.901 -29.70193 25.08228 
1 1 1   21   15   31 f   80.449   14.160   86.044   27.408   43.371   48.541  106.015   33.207   61.696   23.201   89.029   15.500 -27.33395 27.90205 
1 1 1   21   15   32 o   83.315   13.724   92.057   27.558   73.313   48.390  101.054   33.527   72.629   23.437   86.511   16.112 -13.88219 28.44120 
1 1 1   21   15   33 o   94.747   13.271  118.406   30.537  147.962   52.600  103.380   37.505  102.359   21.273   86.612   17.931 15.74773 27.82180 
1 1 1   21   15   34 o  145.029   11.271  272.153   40.500  215.504   65.823  306.664   51.375  122.920   22.264  152.812   13.605 -29.89228 26.09164 
1 1 1   21   15   35 o   61.229   16.423   51.911   25.630   25.794   40.914   68.780   32.882   52.310   20.842   69.822   18.545 -17.51221 27.89843 
1 1 1   21   16    0 o  308.430   18.777  1219.22  143.930  1321.08  189.768  1081.28  220.843  318.531   24.034  283.715   31.714 34.81610 39.79191 
1 1 1   21   16    1 o  460.056   17.654  2695.26  202.813  2600.12  244.237  2906.58  364.002  449.595   21.754  467.156   31.385 -17.56039 38.18699 
1 1 1   21   16    2 o  120.150   15.390  185.765   45.116  181.179   49.045  210.998  115.041  118.226   17.110  123.429   35.453 -5.202621 39.36536 
1 1 1   21   16    3 o  123.786   15.270  196.872   46.200  189.244   50.491  236.119  114.524  120.867   17.215  130.420   34.596 -9.552231 38.64237 
1 1 1   21   16    4 o  233.670   13.506  691.557   78.476  687.574   90.748  703.367  156.271  232.409   15.729  230.600   27.691 1.809723 31.84649 
1 1 1   21   16    5 o  334.716   15.341  1418.74  128.230  1405.83  153.197  1448.94  234.357  331.625   18.574  331.528   28.587 0.9765625E-01 34.09144 
1 1 1   21   16    6 o  284.029   13.372  1018.05   94.846  919.849  109.634  1310.19  189.097  268.788   16.412  317.685   24.014 -48.89783 29.08638 
1 1 1   21   16    7 o  477.205   34.981  3062.81  413.956  3062.81  413.956   0.0000   0.0000  477.205   34.981  ?   ?  0.000000 34.98125 
1 1 1   21   16    8 o  177.469   14.145  400.340   62.168  352.651  122.186  416.998   72.215  161.001   31.519  180.665   16.178 -19.66408 35.42846 
1 1 1   21   16    9 o  481.060   15.080  2928.35  181.149  3020.56  255.994  2835.86  256.374  485.488   21.115  469.987   21.844 15.50110 30.38144 
1 1 1   21   16   10 o  151.275   10.379  288.881   38.970  337.188   57.019  246.538   53.384  162.774   14.169  138.664   15.693 24.10974 21.14323 
1 1 1   21   16   11 o  260.990   10.818  856.409   70.505  878.905  100.537  834.640   98.901  263.041   15.373  256.265   15.528 6.775757 21.85024 
1 1 1   21   16   12 o  328.000   13.141  1357.20  107.637  1285.13  152.441  1428.86  152.003  316.725   19.367  334.486   18.267 -17.76053 26.62263 
1 1 1   21   16   13 o  314.260   11.700  1243.36   91.821  1319.92  130.937  1169.27  128.799  322.142   16.330  302.883   17.099 19.25854 23.64393 
1 1 1   21   16   14 o  169.013   9.9539  360.071   41.826  443.477   62.082  290.749   56.598  186.967   13.385  150.784   15.241 36.18292 20.28419 
1 1 1   21   16   15 o  163.340   12.292  338.156   49.768  253.021   71.391  418.649   69.417  138.925   21.254  181.106   15.498 -42.18161 26.30480 
1 1 1   21   16   16 o  133.715   11.563  226.829   38.230  211.632   56.379  239.764   52.015  127.620   18.207  136.668   15.516 -9.048302 23.92168 
1 1 1   21   16   17 o  194.560   11.176  478.172   54.071  517.721   78.615  442.667   74.487  201.354   15.761  185.975   16.201 15.37877 22.60234 
1 1 1   21   16   18 o  126.546   11.824  203.639   36.932  183.871   54.967  219.907   49.865  118.401   19.252  130.712   15.584 -12.31075 24.76893 
1 1 1   21   16   19 o  309.956   12.719  1214.18   98.450  1212.93  141.034  1215.37  137.492  307.243   18.468  307.784   17.967 -0.5409851 25.76553 
1 1 1   21   16   20 o  195.176   15.387  487.536   74.387  422.867   93.467  599.273  122.859  179.682   21.242  213.290   23.454 -33.60744 31.64335 
1 1 1   21   16   21 o  321.017   17.382  1323.94  138.824  1155.32  186.553  1533.19  207.818  295.016   25.575  340.856   24.580 -45.84003 35.47239 
1 1 1   21   16   22 o  140.857   16.702  257.443   57.603  254.053   69.892  264.624  101.713  138.503   20.854  137.448   30.437 1.055222 36.89576 
1 1 1   21   16   23 o  220.475   15.782  625.224   86.317  559.931  110.964  725.269  137.356  205.802   21.929  233.318   23.913 -27.51508 32.44546 
1 1 1   21   16   24 o   97.027   19.504  126.404   45.619  108.265   54.857  167.072   82.140   88.770   24.119  108.620   29.514 -19.85025 38.11530 
1 1 1   21   16   25 o  225.030   15.680  653.970   87.560  589.382  116.053  739.324  133.412  209.947   22.486  234.987   23.031 -25.03969 32.18768 
1 1 1   21   16   26 o  234.756   15.772  713.696   91.924  663.530  123.126  776.870  138.170  222.272   22.492  240.012   23.349 -17.73903 32.42014 
1 1 1   21   16   27 o   91.742   19.828  114.809   44.100  124.451   55.926   98.956   71.709   94.308   23.759   85.012   28.582 9.296738 37.16700 
1 1 1   21   16   28 o  114.542   16.917  174.252   46.931  167.524   61.387  183.715   72.805  109.614   23.152  113.432   26.226 -3.817604 34.98346 
1 1 1   21   16   29 o   90.587   18.778  111.936   41.085   92.477   53.546  139.789   64.062   81.188   24.422   98.671   25.732 -17.48283 35.47665 
1 1 1   21   16   30 o  158.477   14.724  328.061   57.604  305.954   78.298  354.144   85.049  149.322   21.628  160.736   21.747 -11.41409 30.67092 
1 1 1   21   16   31 o   68.055   20.136   63.653   36.625   64.977   49.142   62.000   54.932   69.701   23.659   69.502   24.918 0.1990738 34.36087 
1 1 1   21   16   32 o   79.001   19.322   86.852   37.802   66.147   51.372  111.302   55.826   70.158   24.181   87.686   24.532 -17.52814 34.44624 
1 1 1   21   16   33 f   67.830   20.093   64.026   36.451   43.877   47.717   92.258   56.483   61.160   23.003   79.879   25.274 -18.71980 34.17430 
1 1 1   21   16   34 o  150.354   14.909  299.695   55.239  230.114   73.266  391.345   84.086  125.806   24.200  167.939   20.474 -42.13287 31.69910 
1 1 1   21   16   35 o   82.733   17.975   95.667   36.075   0.0000   0.0000   95.667   36.075  ?   ?    82.733   17.975 0.000000 17.97498 
1 1 1   21   17    0 o  354.456   18.460  1610.05  162.834  1435.66  214.415  1847.67  250.287  330.376   26.204  374.487   26.944 -44.11084 37.58536 
1 1 1   21   17    1 o  237.627   12.967  715.151   76.654  664.621   87.418  883.273  159.455  228.380   15.418  259.508   24.912 -31.12839 29.29725 
1 1 1   21   17    2 o  122.681   15.895  194.091   47.550  204.653   51.840  138.086  119.376  125.766   16.937  104.596   36.814 21.16982 40.52352 
1 1 1   21   17    3 o  126.091   15.159  204.246   46.775  200.578   50.859  224.370  119.129  124.547   16.780  126.815   35.962 -2.268524 39.68410 
1 1 1   21   17    4 o  402.584   16.611  2059.61  166.995  2018.49  200.330  2153.25  302.323  396.362   20.308  402.608   30.292 -6.245667 36.46968 
1 1 1   21   17    5 o  135.921   14.296  236.138   47.797  239.409   52.322  219.642  117.491  136.568   15.623  125.698   35.738 10.87045 39.00380 
1 1 1   21   17    6 o  230.035   13.933  671.135   79.657  703.660   92.182  575.252  158.274  235.050   15.797  206.270   31.745 28.78038 35.45840 
1 1 1   21   17    7 o  335.236   28.144  1481.28  233.426  1481.28  233.426   0.0000   0.0000  335.236   28.144  ?   ?  0.000000 28.14397 
1 1 1   21   17    8 o   57.550   26.109 -41.0763   81.289 -41.0763   81.289   0.0000   0.0000   57.550   26.109  ?   ?  0.000000 26.10898 
1 1 1   21   17    9 o  130.730   15.009  219.076   48.109  223.929   53.162  197.123  113.059  131.836   16.510  119.677   35.370 12.15881 39.03381 
1 1 1   21   17   10 o   66.322   19.552   57.195   34.585   46.862   36.819  134.672  100.820   61.822   20.474  101.845   33.887 -40.02262 39.59139 
1 1 1   21   17   11 o  314.922   12.922  1251.18  101.619  1184.68  143.488  1318.10  143.934  304.078   18.991  321.204   18.017 -17.12589 26.17820 
1 1 1   21   17   12 o  335.499   13.244  1420.89  110.957  1345.11  156.948  1496.60  156.885  323.835   19.499  342.117   18.432 -18.28207 26.83156 
1 1 1   21   17   13 o  558.289   16.604  3959.91  231.491  4054.16  327.895  3866.26  326.862  560.122   23.442  546.587   23.947 13.53540 33.51138 
1 1 1   21   17   14 o  219.566   11.724  608.968   64.049  544.198   91.408  671.441   89.772  205.900   17.957  229.544   15.757 -23.64471 23.89014 
1 1 1   21   17   15 o  167.096   16.394  358.030   67.526   0.0000   0.0000  358.030   67.526  ?   ?   167.096   16.394 0.000000 16.39379 
1 1 1   21   17   16 o  223.850   12.508  634.247   69.638  613.344   90.037  665.367  109.861  218.997   16.587  227.122   19.561 -8.125259 25.64686 
1 1 1   21   17   17 o  299.256   12.477  1130.52   93.239  1169.77  133.323  1092.95  130.443  302.240   17.742  292.018   17.975 10.22180 25.25665 
1 1 1   21   17   18 o  179.527   14.322  411.021   63.673  408.516   74.091  418.100  124.524  178.269   16.843  175.482   29.461 2.786987 33.93526 
1 1 1   21   17   19 o  168.418   16.106  364.464   66.911  360.748   81.820  371.967  116.264  166.259   20.116  165.124   29.267 1.134857 35.51400 
1 1 1   21   17   20 o  421.762   21.049  2303.67  221.688  2198.43  304.909  2421.68  322.892  403.267   30.504  423.042   30.776 -19.77536 43.33154 
1 1 1   21   17   21 f  136.391   16.233  240.859   54.202  191.893   64.106  363.639  101.512  119.631   22.279  164.296   25.574 -44.66540 33.91726 
1 1 1   21   17   22 o  165.930   11.361  349.635   46.793  346.742   77.166  351.317   58.847  162.695   19.374  165.505   14.382 -2.809479 24.12869 
1 1 1   21   17   23 o   59.605   15.484   47.147   23.255   52.146   40.783   44.739   28.307   64.468   21.555   58.619   17.785 5.849255 27.94510 
1 1 1   21   17   24 o  242.170   11.263  742.831   68.112  761.568  101.110  727.265   92.160  242.580   16.795  237.595   15.620 4.985413 22.93556 
1 1 1   21   17   25 o  206.087   10.496  538.885   53.838  559.388   82.126  523.435   71.294  207.855   15.944  201.759   14.242 6.096329 21.37840 
1 1 1   21   17   26 o  158.970   11.832  323.186   46.632  238.846   71.862  384.532   61.289  132.345   22.553  172.554   14.354 -40.20975 26.73308 
1 1 1   21   17   27 o   86.293   13.080   97.282   27.302  120.091   47.885   86.295   33.233   93.430   21.031   80.027   17.146 13.40258 27.13464 
1 1 1   21   17   28 o  112.885   11.930  164.363   33.120  154.254   55.275  170.026   41.368  105.676   21.673  113.848   14.909 -8.171738 26.30639 
1 1 1   21   17   29 o  171.887   10.809  377.556   46.158  337.896   73.906  402.919   59.103  158.815   19.013  176.470   13.514 -17.65485 23.32711 
1 1 1   21   17   30 o  110.241   12.162  157.466   32.924  143.911   55.980  164.634   40.709  101.099   22.726  111.750   14.964 -10.65114 27.21026 
1 1 1   21   17   31 o   60.017   15.355   48.722   23.107   12.962   43.117   63.131   27.369   50.012   20.830   68.125   16.305 -18.11345 26.45276 
1 1 1   21   17   32 o  178.744   10.979  410.103   48.770  356.473   80.109  441.687   61.475  161.385   20.329  184.287   13.451 -22.90215 24.37620 
1 1 1   21   17   33 o   52.940   16.015   37.485   22.977   55.822   42.498   29.910   27.314   64.637   22.002   49.728   17.598 14.90940 28.17382 
1 1 1   21   17   34 o   69.992   15.227   66.764   25.858   50.926   46.736   73.751   31.042   63.146   22.937   72.948   17.302 -9.802071 28.73113 
1 1 1   21   17   35 o  170.396   24.176  422.272   99.988   0.0000   0.0000  422.272   99.988  ?   ?   170.396   24.176 0.000000 24.17644 
1 1 1   21   18    0 o  202.055   13.591  519.117   68.179  491.176   76.782  623.274  148.244  195.884   15.832  215.524   28.222 -19.64003 32.35974 
1 1 1   21   18    1 o  370.042   18.908  1758.82  174.135  1565.13  229.928  2019.36  266.664  344.077   26.976  390.627   27.513 -46.54999 38.53141 
1 1 1   21   18    2 o  217.462   14.178  601.382   76.570  628.229   87.613  514.567  157.549  221.764   15.927  193.022   33.924 28.74214 37.47656 
1 1 1   21   18    3 o  319.118   14.431  1290.07  115.000  1306.21  135.403  1248.31  217.848  319.788   17.017  306.290   28.821 13.49780 33.46964 
1 1 1   21   18    4 o  227.945   13.976  659.826   79.172  642.995   90.624  714.082  162.708  224.335   16.288  231.173   28.810 -6.838257 33.09595 
1 1 1   21   18    5 o  203.314   14.049  525.407   70.892  551.174   80.640  437.746  148.737  207.827   15.653  177.645   34.773 30.18304 38.13407 
1 1 1   21   18    6 o  134.962   14.630  233.257   48.518  216.282   53.014  320.782  120.380  129.378   16.806  152.456   32.607 -23.07794 36.68282 
1 1 1   21   18    7 o  212.828   14.956  576.626   78.982  576.626   78.982   0.0000   0.0000  212.828   14.956  ?   ?  0.000000 14.95598 
1 1 1   21   18    8 o  227.019   26.414  680.670  146.941  680.670  146.941   0.0000   0.0000  227.019   26.414  ?   ?  0.000000 26.41352 
1 1 1   21   18    9 o  142.954   14.864  261.516   52.286  278.447   57.613  182.439  124.507  147.302   15.915  115.990   37.612 31.31212 40.84058 
1 1 1   21   18   10 o  197.835   14.176  497.549   69.567  504.108   79.885  476.963  141.526  198.592   16.251  187.454   31.340 11.13777 35.30278 
1 1 1   21   18   11 o  282.978   13.563  1011.93   95.842  943.049  112.205  1197.79  184.314  271.889   16.606  302.887   24.580 -30.99707 29.66390 
1 1 1   21   18   12 o  306.276   14.730  1188.09  112.659  1189.91  134.020  1183.72  207.994  305.086   17.667  299.012   28.188 6.074585 33.26701 
1 1 1   21   18   13 o  234.724   11.441  693.964   67.062  637.782   95.168  749.379   94.516  223.178   17.209  242.508   15.691 -19.33026 23.28881 
1 1 1   21   18   14 o  173.557   14.842  384.410   63.706   0.0000   0.0000  384.410   63.706  ?   ?   173.557   14.842 0.000000 14.84172 
1 1 1   21   18   15 o  217.394   13.183  599.365   71.228  568.550   82.011  693.988  143.708  211.032   15.674  229.374   25.522 -18.34105 29.95071 
1 1 1   21   18   16 o  136.867   11.344  237.635   38.424  250.245   56.961  227.106   52.049  139.239   16.716  132.736   16.027 6.503342 23.15821 
1 1 1   21   18   17 o  290.806   12.043  1067.38   87.459  1100.69  125.198  1035.62  122.226  293.220   17.173  284.342   17.296 8.877441 24.37346 
1 1 1   21   18   18 o  425.496   22.024  2352.07  233.211  2445.00  321.715  2249.17  338.548  426.462   30.408  405.675   33.725 20.78671 45.40947 
1 1 1   21   18   19 o  191.308   16.360  470.276   77.403  512.027   96.862  396.512  128.749  198.410   19.815  169.161   31.642 29.24829 37.33389 
1 1 1   21   18   20 o  217.399   16.130  606.717   86.942  600.026  110.371  617.658  141.132  214.233   20.897  214.298   26.970 -0.6559753E-01 34.11863 
1 1 1   21   18   21 o   96.150   12.747  119.140   29.851  117.205   47.118  120.437   38.582   93.307   20.758   95.662   16.762 -2.355537 26.68027 
1 1 1   21   18   22 o  133.127   11.578  225.902   38.108  217.835   57.739  232.128   50.726  128.707   18.496  133.921   15.451 -5.214798 24.10089 
1 1 1   21   18   23 o   64.063   15.507   54.621   24.541   47.113   42.231   58.450   30.155   62.656   21.906   66.152   17.844 -3.495884 28.25400 
1 1 1   21   18   24 o  280.865   11.480  1000.27   80.519  1016.42  117.502  985.963  110.558  280.194   16.872  276.396   16.088 3.798859 23.31253 
1 1 1   21   18   25 o  133.673   11.141  228.139   36.849  271.095   58.477  199.848   47.457  143.996   16.564  123.677   15.721 20.31847 22.83702 
1 1 1   21   18   26 o  179.623   11.508  411.850   51.348  401.541   78.700  419.491   67.756  174.474   18.338  179.836   15.231 -5.361786 23.83789 
1 1 1   21   18   27 o  102.928   12.151  136.946   30.629  174.252   51.881  116.986   37.949  113.840   18.914   93.555   16.864 20.28514 25.33990 
1 1 1   21   18   28 o  116.408   11.879  174.698   34.048  162.796   56.714  181.405   42.574  108.565   21.678  117.647   14.820 -9.081909 26.26008 
1 1 1   21   18   29 o  158.984   10.961  323.510   43.251  361.971   70.236  300.017   54.893  165.339   17.266  151.607   14.683 13.73126 22.66510 
1 1 1   21   18   30 o   74.231   14.217   73.457   25.394   66.960   46.023   76.300   30.448   70.269   22.872   74.961   16.694 -4.692574 28.31640 
1 1 1   21   18   31 o  100.199   12.700  131.066   31.064   65.412   53.656  164.168   38.099   70.429   24.688  111.839   13.945 -41.40936 28.35400 
1 1 1   21   18   32 o  130.117   11.306  218.423   36.372  193.322   62.335  231.380   44.787  117.266   22.097  132.982   13.682 -15.71626 25.99026 
1 1 1   21   18   33 o   78.447   14.111   82.341   26.627   40.598   49.354   99.480   31.625   60.454   23.238   85.964   15.293 -25.50906 27.81852 
1 1 1   21   18   34 o  162.204   14.672  347.832   58.787   0.0000   0.0000  347.832   58.787  ?   ?   162.204   14.672 0.000000 14.67220 
1 1 1   21   18   35 o  108.555   25.897  178.287   69.222   0.0000   0.0000  178.287   69.222  ?   ?   108.555   25.897 0.000000 25.89729 
1 1 1   21   19    0 o   61.390   19.320   48.186   33.044   47.001   34.505   61.293  114.739   61.104   19.799   86.009   34.682 -24.90509 39.93551 
1 1 1   21   19    1 o  149.702   15.398  287.980   56.743  323.385   62.868  132.381  131.796  158.521   16.105  103.927   38.397 54.59481 41.63738 
1 1 1   21   19    2 o  359.424   20.253  1669.41  181.035  1755.35  241.846  1559.88  273.025  364.059   26.790  338.408   32.716 25.65103 42.28562 
1 1 1   21   19    3 o  250.475   13.845  797.067   86.264  779.888   99.133  850.647  175.074  246.984   16.162  252.168   28.290 -5.184250 32.58152 
1 1 1   21   19    4 o  211.474   14.011  568.903   73.573  598.497   83.574  466.975  155.100  216.467   15.565  182.731   35.267 33.73691 38.54930 
1 1 1   21   19    5 o  268.778   14.720  918.865   98.426  936.685  114.800  869.417  191.230  270.527   17.081  253.775   30.807 16.75273 35.22584 
1 1 1   21   19    6 o  101.446   16.825  134.371   41.128  127.796   43.890  181.745  117.812   98.455   18.531  115.004   36.513 -16.54908 40.94666 
1 1 1   21   19    7 o  201.831   14.241  518.397   71.315  544.002   80.916  429.298  150.941  206.331   15.825  175.104   35.729 31.22667 39.07656 
1 1 1   21   19    8 o  281.664   26.635  1047.77  185.118  1047.77  185.118   0.0000   0.0000  281.664   26.635  ?   ?  0.000000 26.63501 
1 1 1   21   19    9 o  139.132   24.511  258.336   82.051  222.549  103.690  318.278  134.197  126.529   32.611  150.186   36.205 -23.65727 48.72705 
1 1 1   21   19   10 o  125.388   15.351  202.359   47.062  186.277   50.863  298.065  124.081  119.679   17.539  145.881   34.587 -26.20185 38.77990 
1 1 1   21   19   11 o  297.276   14.454  1119.62  107.299  1031.69  126.018  1351.40  204.600  283.759   17.875  320.707   25.765 -36.94800 31.35853 
1 1 1   21   19   12 o  359.839   14.979  1642.40  134.600  1543.88  160.190  1879.02  248.250  346.977   18.555  377.883   26.475 -30.90631 32.32959 
1 1 1   21   19   13 o  273.243   14.577  948.962   99.106  968.440  116.847  899.026  187.092  275.140   17.091  259.064   29.443 16.07568 34.04385 
1 1 1   21   19   14 o  288.951   13.990  1057.35  100.947  1034.58  119.252  1114.94  189.613  284.452   16.863  290.509   26.426 -6.056946 31.34824 
1 1 1   21   19   15 o  408.042   15.849  2117.86  161.496  2144.11  194.865  2060.26  288.590  408.875   19.085  392.634   29.652 16.24121 35.26325 
1 1 1   21   19   16 o  251.617   11.654  798.750   73.228  738.457  104.293  857.378  102.843  239.779   17.539  259.052   15.976 -19.27286 23.72461 
1 1 1   21   19   17 o  366.895   13.096  1703.77  119.988  1834.81  171.543  1578.26  167.892  378.393   18.154  349.885   19.290 28.50754 26.48940 
1 1 1   21   19   18 o  239.119   16.920  734.394  100.382  787.988  129.128  652.536  159.585  245.803   21.246  218.965   29.972 26.83760 36.73846 
1 1 1   21   19   19 o  219.361   16.957  619.420   92.169  714.377  117.972  470.652  147.663  234.156   20.379  183.165   33.519 50.99063 39.22725 
1 1 1   21   19   20 o  181.327   11.213  416.877   50.522  382.337   73.754  447.412   69.348  171.761   17.437  186.783   14.994 -15.02136 22.99738 
1 1 1   21   19   21 o   63.387   15.423   53.349   24.181   21.896   39.680   71.932   30.499   52.348   20.630   73.452   16.969 -21.10368 26.71222 
1 1 1   21   19   22 o  194.218   11.263  478.863   54.393  507.508   79.974  454.207   74.196  198.216   16.302  187.570   15.993 10.64635 22.83684 
1 1 1   21   19   23 o   94.774   12.591  116.059   29.061  116.586   47.001  115.733   36.975   92.682   20.817   93.595   16.419 -0.9137573 26.51250 
1 1 1   21   19   24 o  202.301   10.951  519.989   55.118  540.080   81.742  503.238   74.639  204.141   16.167  197.409   15.259 6.731964 22.23094 
1 1 1   21   19   25 o  154.808   11.171  305.701   42.894  332.585   66.143  286.188   56.349  159.425   16.870  148.335   15.438 11.08986 22.86805 
1 1 1   21   19   26 o  130.580   11.290  218.323   36.454  247.272   57.883  199.294   46.929  136.861   17.324  123.330   15.586 13.53068 23.30353 
1 1 1   21   19   27 o   61.286   15.435   50.456   23.608   55.324   43.824   48.466   28.022   65.642   22.342   60.194   17.558 5.448467 28.41573 
1 1 1   21   19   28 o  127.988   11.547  210.604   36.507  236.673   59.373  194.757   46.291  132.989   18.369  121.603   15.604 11.38578 24.10183 
1 1 1   21   19   29 o  113.433   11.584  165.997   32.354  130.388   54.112  185.810   40.363   96.166   22.868  119.306   13.803 -23.14079 26.71027 
1 1 1   21   19   30 o   90.144   13.681  107.049   29.829   58.603   51.532  131.461   36.580   67.799   24.153   99.526   15.200 -31.72796 28.53780 
1 1 1   21   19   31 o  167.529   11.046  360.186   45.952  319.194   74.902  384.926   58.190  153.001   20.090  172.003   13.660 -19.00166 24.29400 
1 1 1   21   19   32 o  145.329   10.892  271.608   39.240  245.544   66.303  285.659   48.680  133.345   20.574  148.021   13.312 -14.67563 24.50480 
1 1 1   21   19   33 o   80.359   13.821   86.134   26.735   68.711   49.568   93.282   31.750   70.518   23.763   82.922   15.911 -12.40378 28.59775 
1 1 1   21   19   34 f  181.769   14.616  436.250   65.785   0.0000   0.0000  436.250   65.785  ?   ?   181.769   14.616 0.000000 14.61640 
1 1 1   21   20    0 o   47.551   18.237   20.394   30.355   27.309   31.323 -86.3241  123.057   50.959   18.737   66.074   30.744 -15.11560 36.00409 
1 1 1   21   20    1 o  130.651   14.376  219.547   46.127  213.251   49.477  261.369  127.521  128.365   15.766  134.284   36.893 -5.919250 40.12095 
1 1 1   21   20    2 o  116.283   17.763  177.055   49.945  168.174   54.515  223.459  124.613  112.564   20.133  124.800   37.192 -12.23649 42.29195 
1 1 1   21   20    3 o  264.343   17.222  897.666  113.061  870.947  141.303  945.210  188.489  258.024   22.145  264.729   28.986 -6.705078 36.47719 
1 1 1   21   20    4 o  277.546   13.111  975.313   90.870  892.628  104.180  1238.31  185.800  264.231   15.862  306.685   24.464 -42.45468 29.15657 
1 1 1   21   20    5 o  137.827   14.754  243.898   49.990  239.638   54.277  267.716  128.344  136.199   16.281  136.751   36.782 -0.5526581 40.22385 
1 1 1   21   20    6 o   76.938   19.021   78.924   36.338   75.585   38.128  111.993  119.983   75.299   19.956   97.924   36.545 -22.62572 41.63836 
1 1 1   21   20    7 o  153.021   13.918  299.062   52.603  289.837   57.413  347.306  131.295  150.210   15.530  157.194   34.403 -6.983994 37.74554 
1 1 1   21   20    8 o  281.162   14.963  1006.61  104.680  1139.60  122.991  657.059  199.401  298.566   16.561  215.268   38.507 83.29790 41.91742 
1 1 1   21   20    9 o   75.913   30.288   46.395   86.513   46.395   86.513   0.0000   0.0000   75.913   30.288  ?   ?  0.000000 30.28807 
1 1 1   21   20   10 o  185.164   13.273  435.928   60.966  410.624   67.687  544.702  140.335  179.155   15.275  201.018   28.777 -21.86343 32.58027 
1 1 1   21   20   11 o  202.949   14.110  524.439   71.067  535.304   80.365  485.469  152.201  204.535   15.858  187.019   33.835 17.51587 37.36741 
1 1 1   21   20   12 o  287.145   14.134  1045.20  101.350  1004.87  118.421  1155.64  195.950  280.130   17.009  295.177   26.878 -15.04657 31.80773 
1 1 1   21   20   13 o  283.323   28.878  1075.52  201.458   0.0000   0.0000  1075.52  201.458  ?   ?   283.323   28.878 0.000000 28.87791 
1 1 1   21   20   14 o  200.494   17.054  516.806   84.572  516.806   84.572   0.0000   0.0000  200.494   17.054  ?   ?  0.000000 17.05383 
1 1 1   21   20   15 o  348.426   14.842  1542.67  129.136  1531.76  153.909  1568.59  237.354  345.401   17.905  342.894   27.963 2.507050 33.20441 
1 1 1   21   20   16 o  408.581   16.660  2132.39  169.987  2181.10  205.176  2025.76  303.549  411.197   19.981  385.968   31.776 25.22900 37.53650 
1 1 1   21   20   17 o  195.991   13.895  489.912   67.564  508.841   78.143  433.856  134.474  199.141   15.845  176.908   31.599 22.23268 35.34920 
1 1 1   21   20   18 o  263.677   18.267  898.027  119.535  1099.08  157.795  627.277  183.112  289.733   21.973  210.076   36.213 79.65753 42.35775 
1 1 1   21   20   19 o  355.787   19.436  1641.29  172.032  1635.01  232.076  1648.95  256.305  349.371   26.805  348.155   29.767 1.215790 40.05691 
1 1 1   21   20   20 o   71.553   14.341   67.445   24.731   63.850   40.799   69.533   31.096   69.683   21.393   72.141   17.451 -2.458351 27.60818 
1 1 1   21   20   21 o  295.840   12.244  1110.12   90.452  1150.54  128.295  1070.18  127.544  298.418   17.290  287.455   17.856 10.96371 24.85561 
1 1 1   21   20   22 o  229.645   11.382  668.090   65.273  694.554   95.028  644.451   89.813  231.777   16.527  223.365   16.212 8.411819 23.15097 
1 1 1   21   20   23 o   72.761   14.250   69.914   24.965   46.863   41.763   82.730   31.141   62.269   21.783   78.777   16.365 -16.50850 27.24558 
1 1 1   21   20   24 o  145.141   11.240  268.853   40.422  298.758   61.650  246.302   53.536  151.198   16.601  137.393   15.897 13.80531 22.98528 
1 1 1   21   20   25 o  184.918   11.305  436.103   51.951  396.068   77.153  469.312   70.269  173.379   18.086  190.418   14.896 -17.03911 23.43093 
1 1 1   21   20   26 o  225.694   11.436  650.032   64.245  642.272   94.910  656.595   87.280  221.300   17.312  224.744   15.649 -3.443909 23.33706 
1 1 1   21   20   27 o  131.577   11.406  222.207   37.107  250.840   58.927  203.393   47.767  137.437   17.572  124.323   15.739 13.11406 23.58963 
1 1 1   21   20   28 o  170.561   11.543  373.029   48.874  306.313   74.908  422.481   64.491  150.276   20.496  180.258   14.448 -29.98218 25.07663 
1 1 1   21   20   29 o   85.674   13.219   96.492   27.371   91.319   47.451   99.071   33.507   80.577   22.643   85.833   16.227 -5.255089 27.85739 
1 1 1   21   20   30 o  110.735   11.802  158.740   32.134  147.491   54.623  164.693   39.738  102.499   21.999  111.810   14.579 -9.310486 26.39109 
1 1 1   21   20   31 o  133.450   11.259  229.452   37.171  251.831   62.075  216.941   46.412  136.346   18.726  128.335   14.750 8.010910 23.83771 
1 1 1   21   20   32 o   96.710   12.054  122.043   28.480  153.338   51.219  108.037   34.265  104.931   20.281   89.507   15.913 15.42386 25.77863 
1 1 1   21   20   33 f  189.174   14.671  471.135   68.764   0.0000   0.0000  471.135   68.764  ?   ?   189.174   14.671 0.000000 14.67092 
1 1 1   21   20   34 o  155.757   23.321  347.856   87.919   0.0000   0.0000  347.856   87.919  ?   ?   155.757   23.321 0.000000 23.32123 
1 1 1   21   21    0 o   77.210   18.393   80.078   34.956   72.960   36.453  161.471  123.269   73.632   19.512  107.656   37.438 -34.02383 42.21735 
1 1 1   21   21    1 o  127.666   15.124  210.941   47.280  200.556   50.617  281.994  132.395  123.939   16.787  138.149   37.442 -14.20975 41.03273 
1 1 1   21   21    2 o  288.283   14.011  1057.59  100.866  1045.86  116.300  1093.21  202.621  285.258   16.395  283.324   29.049 1.934418 33.35672 
1 1 1   21   21    3 o  102.861   18.692  140.267   46.244  137.558   49.689  157.798  126.394  101.365   20.337  108.001   37.890 -6.636780 43.00267 
1 1 1   21   21    4 o  346.019   15.307  1526.88  132.265  1472.48  155.675  1668.05  250.793  337.702   18.531  351.518   28.824 -13.81625 34.26687 
1 1 1   21   21    5 f  217.318   13.506  601.404   72.934  606.574   82.313  582.517  157.333  217.678   15.239  205.275   31.715 12.40324 35.18597 
1 1 1   21   21    6 f   89.748   17.598  106.598   38.030   97.935   39.947  190.415  124.258   85.613   19.163  116.334   37.559 -30.72093 42.16492 
1 1 1   21   21    7 o  186.499   14.015  443.909   64.794  436.509   72.040  475.241  148.239  184.391   15.798  184.387   33.425 0.4470825E-02 36.97060 
1 1 1   21   21    8 o  117.079   16.055  177.879   45.704  188.163   49.099  111.133  125.085  120.262   16.809   98.177   37.171 22.08503 40.79435 
1 1 1   21   21    9 o  109.157   32.621  165.513   95.765  165.513   95.765   0.0000   0.0000  109.157   32.621  ?   ?  0.000000 32.62111 
1 1 1   21   21   10 o   93.492   32.291  112.100   91.628  112.100   91.628   0.0000   0.0000   93.492   32.291  ?   ?  0.000000 32.29072 
1 1 1   21   21   11 o   41.351   17.014   7.4968   28.285   9.6247   29.251 -23.1389  110.989   42.733   17.410   70.556   31.372 -27.82261 35.87936 
1 1 1   21   21   12 o  226.925   30.748  702.970  169.753   0.0000   0.0000  702.970  169.753  ?   ?   226.925   30.748 0.000000 30.74785 
1 1 1   21   21   13 o  146.829   14.575  276.543   52.736  260.829   57.100  367.722  137.539  142.052   16.398  160.847   35.218 -18.79445 38.84886 
1 1 1   21   21   14 o  310.959   14.934  1230.47  115.966  1230.49  136.732  1230.40  218.887  309.285   17.778  301.784   29.419 7.501221 34.37386 
1 1 1   21   21   15 f   78.902   19.302   83.356   37.718   96.419   39.978 -22.5052  113.805   84.895   19.295   71.358   31.747 13.53678 37.15057 
1 1 1   21   21   16 f  439.413   17.627  2478.76  193.423  2563.32  233.923  2295.97  343.929  444.229   21.087  406.830   34.170 37.39838 40.15294 
1 1 1   21   21   17 o  268.922   14.234  922.564   95.248  923.190  112.027  920.930  180.939  267.889   16.832  260.822   28.231 7.067078 32.86765 
1 1 1   21   21   18 o  150.476   17.476  294.670   64.445  360.919   75.937  124.132  121.837  166.301   18.604   99.620   36.895 66.68090 41.32037 
1 1 1   21   21   19 o  192.270   16.897  478.353   80.307  554.111   99.520  336.943  135.969  205.838   19.598  151.734   36.360 54.10336 41.30527 
1 1 1   21   21   20 o  217.759   13.810  606.470   74.711  576.231   86.652  694.063  147.480  211.142   16.567  226.116   26.629 -14.97437 31.36211 
1 1 1   21   21   21 o  398.086   13.757  2021.24  136.756  2268.71  195.636  1784.75  191.244  418.003   18.742  368.565   20.865 49.43787 28.04635 
1 1 1   21   21   22 o  195.312   11.447  485.399   55.587  450.961   80.865  516.249   76.538  185.852   17.635  199.935   15.450 -14.08255 23.44533 
1 1 1   21   21   23 o  141.779   10.215  255.612   35.925  359.105   56.035  183.385   46.812  167.120   13.544  118.199   16.292 48.92141 21.18661 
1 1 1   21   21   24 o   76.559   13.615   77.122   25.075   74.600   42.565   78.463   31.031   74.044   21.652   76.434   16.723 -2.389679 27.35770 
1 1 1   21   21   25 o   38.796   14.371   15.418   18.488   18.294   37.210   14.475   21.304   49.490   19.823   39.856   15.280 9.634361 25.02834 
1 1 1   21   21   26 o   76.075   15.154   77.261   27.777   32.399   45.793  103.376   34.938   57.609   22.318   87.848   16.533 -30.23886 27.77439 
1 1 1   21   21   27 o  139.427   11.481  249.620   39.620  218.053   61.600  271.893   51.743  126.686   20.146  144.387   14.549 -17.70078 24.85038 
1 1 1   21   21   28 o  139.051   12.082  249.334   41.536  203.452   65.053  280.914   53.970  120.953   22.361  146.462   14.967 -25.50824 26.90776 
1 1 1   21   21   29 o   86.859   13.757   99.605   28.846  125.053   48.403   85.589   35.921   94.689   21.019   78.871   18.549 15.81782 28.03330 
1 1 1   21   21   30 o   77.407   15.039   80.441   28.022   82.083   49.679   79.675   33.936   76.412   23.631   76.087   18.120 0.3252258 29.77896 
1 1 1   21   21   31 o  212.033   16.728  596.469   87.853  672.213  179.003  572.435  100.833  205.097   36.278  205.212   19.928 -0.1148987 41.39052 
1 1 1   21   21   32 o   71.397   17.854   70.558   31.749   36.502  146.144   72.245   32.526   81.052   36.022   72.187   18.082 8.864998 40.30521 
1 1 1   21   21   33 o  309.771   26.042  1393.25  199.579   0.0000   0.0000  1393.25  199.579  ?   ?   309.771   26.042 0.000000 26.04181 
1 1 1   21   22    0 o   47.450   17.962   21.952   29.204   18.843   30.015   77.200  126.515   46.507   18.054   89.173   36.254 -42.66627 40.50076 
1 1 1   21   22    1 o   90.427   18.200  109.517   39.676  117.589   41.711   32.779  128.600   93.693   18.484   82.427   35.229 11.26623 39.78341 
1 1 1   21   22    2 o  210.064   13.909  565.275   72.551  602.461   81.213  418.310  161.450  216.401   15.124  166.338   39.463 50.06241 42.26192 
1 1 1   21   22    3 o   43.716   17.297   14.312   27.999   10.536   28.786   80.486  120.515   42.648   17.310   89.660   35.756 -47.01247 39.72569 
1 1 1   21   22    4 o  226.709   15.990  661.765   89.943  567.665  106.539  895.232  167.812  207.701   20.821  257.499   26.475 -49.79797 33.68116 
1 1 1   21   22    5 o  184.347   13.241  433.892   60.551  414.781   66.492  526.731  146.548  179.676   14.955  194.339   31.257 -14.66304 34.65060 
1 1 1   21   22    6 o  110.591   16.176  159.629   43.352  172.535   46.168   63.409  126.060  114.938   16.563   88.161   36.055 26.77781 39.67731 
1 1 1   21   22    7 o  164.643   13.595  346.655   55.395  316.753   60.247  510.202  140.897  156.740   15.599  192.107   30.381 -35.36694 34.15149 
1 1 1   21   22    8 o  115.220   16.013  172.742   44.827  176.219   47.709  146.537  130.964  116.122   16.952  105.885   38.406 10.23779 41.98122 
1 1 1   21   22    9 o  143.024   14.682  263.086   51.694  281.510   55.886  153.912  136.041  147.794   15.367  108.086   39.153 39.70812 42.06073 
1 1 1   21   22   10 o  114.313   32.546  184.634   97.373  184.634   97.373   0.0000   0.0000  114.313   32.546  ?   ?  0.000000 32.54648 
1 1 1   21   22   11 f  104.869   16.927  144.212   42.819  144.598   45.603  141.342  124.444  104.676   18.101  104.156   37.487 0.5209427 41.62882 
1 1 1   21   22   12 o  151.029   14.470  292.824   53.907  299.851   58.774  255.585  135.296  152.497   15.656  132.084   38.595 20.41313 41.64959 
1 1 1   21   22   13 o  329.508   15.412  1385.88  126.820  1368.49  148.839  1431.97  242.280  325.469   18.388  323.933   30.303 1.535950 35.44576 
1 1 1   21   22   14 o  487.206   19.686  3073.27  239.505  3145.51  289.333  2915.99  426.885  489.006   23.694  451.911   38.185 37.09564 44.93869 
1 1 1   21   22   15 o  242.964   14.190  753.906   85.718  790.804   98.892  642.433  171.887  248.096   16.048  213.895   33.261 34.20045 36.93011 
1 1 1   21   22   16 o  276.124   14.415  974.219   99.050  1000.58  115.706  901.913  191.627  278.768   16.698  255.755   30.613 23.01303 34.87051 
1 1 1   21   22   17 o  161.474   14.170  334.665   56.561  310.954   62.684  438.561  131.213  154.865   16.461  177.106   30.786 -22.24059 34.91051 
1 1 1   21   22   18 o  170.843   16.897  378.843   71.143  420.406   84.470  277.403  131.963  179.104   19.185  136.584   37.532 42.51930 42.15138 
1 1 1   21   22   19 o  211.041   17.216  577.865   89.939  654.719  111.750  436.544  151.535  223.143   20.276  172.417   36.341 50.72571 41.61433 
1 1 1   21   22   20 o  322.564   14.856  1332.63  119.669  1377.79  142.937  1226.81  218.821  325.895   17.629  297.305   29.878 28.59003 34.69146 
1 1 1   21   22   21 o  142.648   14.228  262.761   50.008  233.919   55.224  394.174  117.878  133.592   16.934  167.348   29.273 -33.75610 33.81839 
1 1 1   21   22   22 o  196.768   14.047  498.135   68.568  528.789   79.253  406.887  136.736  201.963   15.841  166.336   34.065 35.62712 37.56836 
1 1 1   21   22   23 o  100.331   17.888  134.647   43.173  141.095   47.268  102.198  106.041  102.280   19.212   90.218   34.208 12.06174 39.23394 
1 1 1   21   22   24 o   77.055   20.344   81.437   39.724   78.376   43.062   98.919  102.900   75.586   21.685   88.584   33.672 -12.99794 40.04988 
1 1 1   21   22   25 o  173.503   11.039  384.475   47.579  411.508   71.227  362.692   63.937  177.259   16.273  166.678   15.540 10.58121 22.50116 
1 1 1   21   22   26 o   72.636   14.235   70.230   24.896   56.990   42.930   76.939   30.560   66.005   22.115   75.427   16.668 -9.421806 27.69327 
1 1 1   21   22   27 o  164.852   11.445  348.627   46.825  389.930   71.309  317.318   62.086  171.816   16.836  155.143   16.267 16.67371 23.41137 
1 1 1   21   22   28 o  222.247   15.476  646.478   85.356  902.321  166.396  555.115   99.436  251.795   26.879  202.868   19.884 48.92728 33.43393 
1 1 1   21   22   29 o   92.918   16.880  116.622   37.724  126.556  130.721  115.719   39.400   94.872   37.426   92.206   17.756 2.665878 41.42453 
1 1 1   21   22   30 o   67.201   17.591   62.031   29.865   94.031  138.553   60.471   30.584   89.320   37.282   66.326   18.004 22.99424 41.40188 
1 1 1   21   22   31 o  185.535   13.249  447.762   60.979  765.910  165.108  397.510   65.618  226.249   29.960  173.611   15.292 52.63895 33.63708 
1 1 1   21   22   32 o   93.369   15.375  117.133   34.600   0.0000   0.0000  117.133   34.600  ?   ?    93.369   15.375 0.000000 15.37518 
1 1 1   21   22   33 o  187.194   23.453  499.974  107.225   0.0000   0.0000  499.974  107.225  ?   ?   187.194   23.453 0.000000 23.45273 
1 1 1   21   23    0 o  119.668   15.308  187.579   44.697  181.805   47.136  239.082  140.783  117.334   16.547  122.823   40.004 -5.489754 43.29106 
1 1 1   21   23    1 o  322.379   14.777  1336.80  118.959  1295.89  137.316  1459.85  238.160  315.122   17.519  321.635   29.998 -6.513031 34.73912 
1 1 1   21   23    2 o  246.508   13.715  779.654   84.094  779.667   94.695  779.604  182.916  245.594   15.520  233.155   32.283 12.43884 35.81966 
1 1 1   21   23    3 o  112.939   15.652  166.936   42.957  163.981   45.353  192.700  133.925  111.539   16.804  114.013   39.056 -2.473434 42.51792 
1 1 1   21   23    4 o  269.654   15.234  935.904  102.166  1005.06  117.833  726.477  205.055  278.442   17.028  220.568   38.637 57.87334 42.22268 
1 1 1   21   23    5 o   79.729   19.895   86.121   39.483   79.820   41.539  145.073  127.057   76.740   21.045  103.591   37.790 -26.85085 43.25492 
1 1 1   21   23    6 o   94.680   16.692  118.511   38.024  117.316   39.931  130.127  124.517   93.902   17.678  100.291   37.268 -6.389061 41.24802 
1 1 1   21   23    7 o  216.988   13.790  602.389   74.333  592.974   83.162  639.803  165.781  214.548   15.629  213.046   32.162 1.502563 35.75885 
1 1 1   21   23    8 o  182.571   13.699  426.801   62.001  420.397   68.096  457.852  149.939  180.660   15.236  178.008   34.978 2.651962 38.15237 
1 1 1   21   23    9 o  176.961   14.093  401.572   61.761  400.214   67.820  408.168  149.487  176.151   15.578  166.725   36.882 9.425323 40.03728 
1 1 1   21   23   10 o  203.525   15.028  532.106   75.836  532.106   75.836   0.0000   0.0000  203.525   15.028  ?   ?  0.000000 15.02754 
1 1 1   21   23   11 o  159.555   29.856  355.725  114.584  355.725  114.584   0.0000   0.0000  159.555   29.856  ?   ?  0.000000 29.85578 
1 1 1   21   23   12 o   80.284   19.156   86.738   37.868   86.738   37.868   0.0000   0.0000   80.284   19.156  ?   ?  0.000000 19.15557 
1 1 1   21   23   13 o  316.600   14.446  1279.05  114.214  1257.37  133.118  1339.54  222.350  312.112   17.145  313.212   28.749 -1.100098 33.47336 
1 1 1   21   23   14 o  223.992   14.647  643.308   81.477  670.904   92.432  547.154  172.539  228.044   16.339  193.562   37.045 34.48216 40.48864 
1 1 1   21   23   15 o  245.214   14.121  769.385   86.106  719.596   98.456  931.336  177.568  235.930   16.821  261.419   27.619 -25.48938 32.33799 
1 1 1   21   23   16 o  417.002   16.609  2237.71  172.959  2188.53  206.558  2353.08  316.382  409.489   20.200  411.911   30.985 -2.421417 36.98787 
1 1 1   21   23   17 o   92.955   17.778  115.136   39.763  109.834   42.186  157.360  119.040   90.317   19.291  105.955   36.793 -15.63817 41.54376 
1 1 1   21   23   18 o  187.539   16.118  455.592   74.749  423.409   87.920  539.526  141.985  179.018   20.009  196.240   29.920 -17.22144 35.99444 
1 1 1   21   23   19 o  324.947   19.509  1384.10  157.577  1477.64  208.745  1260.19  240.256  330.342   25.502  297.482   32.892 32.85947 41.62030 
1 1 1   21   23   20 o  258.301   14.583  858.199   93.681  943.809  110.496  639.362  176.662  269.837   16.477  208.814   35.126 61.02290 38.79872 
1 1 1   21   23   21 o  220.735   14.414  627.738   79.018  687.103   92.006  460.869  154.254  230.106   16.113  175.042   36.473 55.06375 39.87360 
1 1 1   21   23   22 o   69.954   19.798   66.342   36.142   71.847   38.579   26.839  103.341   72.636   20.418   74.201   31.643 -1.564720 37.65902 
1 1 1   21   23   23 o   61.332   20.181   48.570   35.794   66.416   38.232 -78.1204  101.869   69.948   20.539   58.459   27.451 11.48869 34.28392 
1 1 1   21   23   24 o  177.212   14.217  406.941   62.383  409.067   71.404  400.089  128.218  176.644   16.373  164.105   32.438 12.53908 36.33583 
1 1 1   21   23   25 f  136.724   15.870  245.989   53.178  256.474   60.063  207.961  114.384  138.790   17.736  115.245   35.894 23.54517 40.03644 
1 1 1   21   23   26 o  128.392   16.270  218.251   50.995  227.541   57.647  184.824  109.352  130.224   18.227  108.836   35.244 21.38808 39.67802 
1 1 1   21   23   27 o  144.230   37.580  338.101  136.714  338.101  136.714   0.0000   0.0000  144.230   37.580  ?   ?  0.000000 37.58017 
1 1 1   21   23   28 o   71.547   17.318   70.085   30.610  144.784  124.781   65.302   31.574   98.159   37.135   68.930   18.109 29.22948 41.31455 
1 1 1   21   23   29 o  218.464   14.305  622.515   77.610  835.651  174.064  569.630   86.706  237.358   30.039  207.200   16.905 30.15791 34.46909 
1 1 1   21   23   30 o  110.318   11.896  158.073   32.253  193.854   55.208  139.534   39.740  118.922   19.248  101.931   16.151 16.99155 25.12663 
1 1 1   21   23   31 o   60.723   15.003   50.131   22.618   45.012   44.904   51.871   26.182   60.867   22.426   61.536   16.639 -0.6689835 27.92455 
1 1 1   21   23   32 f  130.960   14.172  226.416   45.606   0.0000   0.0000  226.416   45.606  ?   ?   130.960   14.172 0.000000 14.17156 
1 1 1   21   24    0 o   79.379   29.253   81.532   76.409   81.532   76.409   0.0000   0.0000   79.379   29.253  ?   ?  0.000000 29.25265 
1 1 1   21   24    1 o  115.745   15.040  175.952   42.443  178.738   44.498  147.855  141.301  116.417   15.707  101.827   39.271 14.59058 42.29612 
1 1 1   21   24    2 o   80.973   17.758   88.841   34.920   88.073   36.208   99.065  132.079   80.436   18.423   92.310   37.215 -11.87414 41.52520 
1 1 1   21   24    3 o  199.182   13.488  510.669   66.695  525.646   73.227  437.784  161.541  201.559   14.649  166.775   39.413 34.78395 42.04682 
1 1 1   21   24    4 o  268.151   14.188  925.433   94.665  933.427  107.765  898.421  198.102  268.122   16.171  249.161   32.623 18.96063 36.41054 
1 1 1   21   24    5 o   91.480   17.311  111.877   38.098  111.490   39.818  116.076  131.018   91.057   18.148   96.648   37.663 -5.591110 41.80785 
1 1 1   21   24    6 o  216.670   17.117  611.829   91.861  613.434  108.852  607.856  171.229  215.021   20.521  203.428   34.967 11.59268 40.54404 
1 1 1   21   24    7 o  109.058   15.939  156.145   42.126  164.968   44.497   79.927  130.786  111.999   16.395   90.347   36.811 21.65250 40.29697 
1 1 1   21   24    8 o  114.242   15.397  170.447   42.806  154.413   45.209  309.339  133.063  108.014   17.348  143.156   36.965 -35.14217 40.83369 
1 1 1   21   24    9 o  127.558   15.095  211.413   47.151  214.875   50.356  186.786  134.315  128.286   16.072  112.985   39.091 15.30045 42.26624 
1 1 1   21   24   10 o  315.125   32.071  1401.43  248.858   0.0000   0.0000  1401.43  248.858  ?   ?   315.125   32.071 0.000000 32.07111 
1 1 1   21   24   11 o  154.475   29.239  335.996  108.659  335.996  108.659   0.0000   0.0000  154.475   29.239  ?   ?  0.000000 29.23889 
1 1 1   21   24   12 o  167.292   22.488  375.698   91.567  318.100  112.274  490.112  158.239  149.118   31.155  182.506   35.999 -33.38799 47.60893 
1 1 1   21   24   13 o  176.944   13.695  401.883   60.042  388.400   65.527  472.463  149.926  173.353   15.294  180.111   34.591 -6.757629 37.82119 
1 1 1   21   24   14 o  175.162   14.308  394.919   62.036  412.743   68.494  313.546  146.351  178.635   15.508  142.782   39.640 35.85283 42.56579 
1 1 1   21   24   15 o  217.442   13.412  605.422   72.471  539.301   80.396  892.076  167.395  204.146   15.896  255.453   26.633 -51.30641 31.01563 
1 1 1   21   24   16 o  287.974   13.534  1059.04   97.328  1019.34  111.639  1184.77  198.693  280.887   15.982  293.705   27.407 -12.81787 31.72684 
1 1 1   21   24   17 o  146.775   14.818  279.054   53.568  305.019   58.490  143.976  133.408  153.262   15.496  103.079   38.522 50.18312 41.52158 
1 1 1   21   24   18 o  106.018   19.072  150.870   48.636  168.338   52.845   54.131  124.362  111.915   19.624   84.316   35.268 27.59898 40.36049 
1 1 1   21   24   19 o  213.622   17.056  595.572   90.229  623.517  109.699  537.126  158.644  216.551   20.531  190.799   34.569 25.75241 40.20658 
1 1 1   21   24   20 o  175.482   14.325  398.011   62.228  406.257   69.857  366.323  136.942  176.564   16.018  155.296   36.012 21.26753 39.41367 
1 1 1   21   24   21 o   98.856   17.316  130.624   41.189  121.586   44.193  190.389  113.645   94.584   19.362  111.945   35.896 -17.36070 40.78492 
1 1 1   21   24   22 o   68.566   20.298   63.753   37.208   81.521   39.600 -70.1442  108.709   76.987   20.306   61.482   28.704 15.50524 35.16040 
1 1 1   21   24   23 o  107.813   17.457  155.554   45.392  174.733   49.731   59.827  111.104  114.149   18.046   81.107   33.580 33.04197 38.12206 
1 1 1   21   24   24 o  195.261   13.947  494.040   67.560  513.178   77.234  431.679  139.417  198.049   15.747  168.010   34.388 30.03992 37.82193 
1 1 1   21   24   25 o  231.245   15.250  697.963   87.567  855.778  103.649  304.423  163.675  255.344   16.341  132.063   43.140 123.2814 46.13105 
1 1 1   21   24   26 o  169.038   17.202  379.589   71.601  379.589   71.601   0.0000   0.0000  169.038   17.202  ?   ?  0.000000 17.20197 
1 1 1   21   24   27 o  108.694   37.551  192.187  123.914  192.187  123.914   0.0000   0.0000  108.694   37.551  ?   ?  0.000000 37.55064 
1 1 1   21   24   28 o  153.940   24.515  336.634   91.078  365.501  136.806  313.654  122.060  149.502   36.874  139.824   35.030 9.677994 50.86113 
1 1 1   21   24   29 o  236.024   14.549  728.675   85.332  788.937  102.579  593.273  153.760  243.663   16.964  196.377   32.491 47.28612 36.65301 
1 1 1   21   24   30 o   56.076   20.722   36.817   38.389   39.780   42.644   24.148   88.171   58.393   21.788   67.211   28.957 -8.818752 36.23788 
1 1 1   21   24   31 o   66.889   28.210   34.030   80.614   0.0000   0.0000   34.030   80.614  ?   ?    66.889   28.210 0.000000 28.21018 
1 1 1   21   25    0 o  159.006   14.063  330.659   55.265  338.603   58.873  271.751  160.326  160.504   14.857  122.590   42.692 37.91374 45.20358 
1 1 1   21   25    1 o   68.806   27.680   46.400   72.901   46.400   72.901   0.0000   0.0000   68.806   27.680  ?   ?  0.000000 27.68021 
1 1 1   21   25    2 o   94.373   16.489  119.559   37.444  110.104   38.832  244.763  141.304   89.951   17.917  120.836   40.113 -30.88460 43.93276 
1 1 1   21   25    3 o   62.666   18.809   52.906   31.786   44.600   32.672  199.740  137.378   58.637   19.280  111.679   39.473 -53.04247 43.92963 
1 1 1   21   25    4 o  136.928   14.226  244.196   47.934  255.760   50.851  151.994  143.588  139.941   14.775  102.623   39.585 37.31792 42.25269 
1 1 1   21   25    5 o  183.561   12.986  433.858   59.143  415.401   63.896  544.265  156.276  178.968   14.419  190.554   34.093 -11.58656 37.01707 
1 1 1   21   25    6 o  126.274   15.028  208.481   46.458  205.144   49.262  235.318  139.697  124.807   16.187  121.482   39.863 3.325607 43.02446 
1 1 1   21   25    7 o   77.139   19.821   81.464   38.387   78.803   40.166  109.509  130.404   75.805   20.656   94.465   37.344 -18.65999 42.67607 
1 1 1   21   25    8 o  141.176   15.072  259.546   52.314  280.561   56.370  129.072  140.456  146.611   15.638   99.615   38.947 46.99622 41.96949 
1 1 1   21   25    9 o  202.561   34.922  608.430  170.266   0.0000   0.0000  608.430  170.266  ?   ?   202.561   34.922 0.000000 34.92185 
1 1 1   21   25   10 o   75.978   18.401   78.280   34.542   68.467   35.599  236.223  142.821   71.035   19.483  122.814   40.307 -51.77852 44.76860 
1 1 1   21   25   11 f   47.640   17.852   23.092   28.688   21.954   29.401   45.749  131.147   47.452   18.008   84.055   35.741 -36.60363 40.02137 
1 1 1   21   25   12 o   87.172   31.137  100.266   85.696  100.266   85.696   0.0000   0.0000   87.172   31.137  ?   ?  0.000000 31.13662 
1 1 1   21   25   13 o   96.282   16.847  123.300   39.030  119.789   40.787  161.432  134.422   94.514   17.937  106.197   38.850 -11.68296 42.79124 
1 1 1   21   25   14 f  130.521   14.777  221.572   47.315  222.531   50.403  214.465  137.288  130.443   15.795  118.065   39.548 12.37829 42.58554 
1 1 1   21   25   15 o  145.298   13.868  272.842   49.707  254.551   53.017  405.758  142.912  139.730   15.453  164.051   35.884 -24.32062 39.06954 
1 1 1   21   25   16 o  213.183   13.661  584.496   72.344  552.949   79.910  727.820  170.328  206.407   15.619  225.380   31.091 -18.97235 34.79411 
1 1 1   21   25   17 o  167.040   14.223  360.832   58.764  371.048   64.430  310.284  143.313  168.891   15.448  140.021   39.352 28.86981 42.27554 
1 1 1   21   25   18 o  159.675   14.628  330.815   57.678  347.750   63.190  246.258  141.198  163.289   15.690  124.406   40.024 38.88298 42.98935 
1 1 1   21   25   19 o   97.990   19.494  130.579   46.023  142.353   49.401   53.218  126.632  102.187   20.075   83.553   35.304 18.63388 40.61252 
1 1 1   21   25   20 o   41.759   17.072   9.8028   28.253   7.7823   29.141   41.433  115.300   41.518   17.194   78.949   33.540 -37.43133 37.69035 
1 1 1   21   25   21 o   45.285   17.964   16.201   30.274   6.8419   31.417  137.856  113.273   42.451   17.739   97.807   35.681 -55.35591 39.84756 
1 1 1   21   25   22 o   71.356   19.787   69.964   36.488   71.382   38.578   57.926  112.383   72.015   20.480   80.664   33.615 -8.648911 39.36252 
1 1 1   21   25   23 o  110.200   16.839  162.261   44.869  170.247   48.526  115.193  117.810  112.486   17.873   92.333   35.789 20.15294 40.00362 
1 1 1   21   25   24 o  118.220   16.555  186.244   47.533  208.204   52.055   76.080  116.590  124.828   17.153   84.058   34.560 40.76971 38.58224 
1 1 1   21   25   25 o   54.734   19.608   35.874   34.007   40.600   35.707 -10.2239  111.524   57.247   20.136   68.735   30.937 -11.48820 36.91294 
1 1 1   21   25   26 o  217.133   30.618  703.829  161.408  703.829  161.408   0.0000   0.0000  217.133   30.618  ?   ?  0.000000 30.61800 
1 1 1   21   25   27 o   92.382   35.275  124.698  113.257  124.698  113.257   0.0000   0.0000   92.382   35.275  ?   ?  0.000000 35.27514 
1 1 1   21   25   28 o   86.456   20.213  104.900   42.857  104.706   46.670  105.946  108.249   85.790   21.754   87.534   34.201 -1.743614 40.53268 
1 1 1   21   25   29 o   83.675   21.234   99.525   44.443  130.432   49.112 -40.2121  104.427   96.077   21.052   61.970   28.656 34.10732 35.55789 
1 1 1   21   25   30 o   79.655   21.262   90.556   43.084   98.681   48.252   58.607   95.681   82.643   22.690   75.127   31.138 7.515282 38.52776 
1 1 1   21   25   31 o   70.137   29.807   39.949   91.129   0.0000   0.0000   39.949   91.129  ?   ?    70.137   29.807 0.000000 29.80749 
1 1 1   21   26    0 o   78.579   17.962   85.975   34.479   85.988   35.460   85.740  147.548   78.413   18.422   86.458   37.353 -8.044998 41.64860 
1 1 1   21   26    1 o   33.688   14.834  -4.5768   24.229  -2.2479   24.595 -80.9266  140.824   34.722   15.125   66.793   31.641 -32.07058 35.07001 
1 1 1   21   26    2 f  126.968   28.842  243.821   89.367  243.821   89.367   0.0000   0.0000  126.968   28.842  ?   ?  0.000000 28.84241 
1 1 1   21   26    3 o   93.252   16.700  117.624   37.460  119.907   38.819   86.712  142.850   93.977   17.174   88.460   37.443 5.517372 41.19397 
1 1 1   21   26    4 o  169.263   13.880  373.282   58.152  401.713   62.696  198.197  155.585  175.327   14.449  109.233   41.432 66.09393 43.87868 
1 1 1   21   26    5 o   39.296   16.091   8.5882   25.150   14.553   25.626 -147.5177  131.093   42.066   16.578   59.963   28.963 -17.89744 33.37192 
1 1 1   21   26    6 f   52.067   17.815   33.634   27.865   36.310   28.529 -21.8545  129.907   53.599   18.028   72.341   32.891 -18.74270 37.50769 
1 1 1   21   26    7 o   37.900   16.103   2.3299   26.586   1.2066   27.174   27.428  128.449   37.895   16.195   78.863   34.453 -40.96808 38.06940 
1 1 1   21   26    8 o   83.028   20.295   95.366   41.726   92.614   43.835  121.916  136.163   81.584   21.290   96.102   38.106 -14.51819 43.65063 
1 1 1   21   26    9 o   98.463   16.251  129.136   38.564  126.146   40.145  164.866  138.780   96.943   17.214  104.989   39.279 -8.045876 42.88534 
1 1 1   21   26   10 o   79.195   17.843   85.251   34.441   83.838   35.637  105.255  134.060   78.354   18.508   93.272   37.531 -14.91792 41.84687 
1 1 1   21   26   11 o  145.602   14.017  275.180   50.334  263.070   53.629  364.731  145.838  141.782   15.395  151.421   38.487 -9.639084 41.45145 
1 1 1   21   26   12 o  184.482   14.198  440.697   64.905  472.742   70.885  274.455  161.453  190.714   15.005  128.260   42.888 62.45464 45.43699 
1 1 1   21   26   13 o   89.855   31.554  112.295   87.671  112.295   87.671   0.0000   0.0000   89.855   31.554  ?   ?  0.000000 31.55445 
1 1 1   21   26   14 o  146.156   14.123  277.338   50.904  270.182   54.230  330.355  147.617  143.751   15.344  142.863   39.864 0.8880310 42.71511 
1 1 1   21   26   15 o  156.727   13.440  317.526   52.091  284.775   55.473  561.829  151.508  147.634   15.267  195.399   32.170 -47.76538 35.60901 
1 1 1   21   26   16 o  293.043   14.593  1108.67  106.787  1184.06  122.998  877.904  215.204  301.144   16.418  238.923   37.287 62.22049 40.74174 
1 1 1   21   26   17 o   84.599   17.614   96.929   36.001   88.939   37.294  206.226  137.935   80.610   18.861  113.955   39.604 -33.34503 43.86602 
1 1 1   21   26   18 o  116.984   15.482  180.334   44.117  192.669   46.642   75.583  135.922  120.835   15.839   88.058   36.856 32.77769 40.11476 
1 1 1   21   26   19 o  101.144   18.951  139.168   46.107  137.922   49.180  148.215  132.510  100.094   20.369  100.749   38.231 -0.6544342 43.31811 
1 1 1   21   26   20 f  146.786   17.651  287.025   63.402  311.571   70.816  187.873  142.328  152.252   19.042  108.843   39.952 43.40868 44.25844 
1 1 1   21   26   21 o  145.615   14.825  277.728   53.155  294.111   57.652  184.822  137.289  149.485   15.678  107.744   39.286 41.74021 42.29847 
1 1 1   21   26   22 o   88.829   17.776  107.468   38.055   95.964   40.050  214.388  122.096   83.216   19.597  114.784   37.248 -31.56746 42.08871 
1 1 1   21   26   23 o   35.814   15.935  -8.2735   28.680 -11.5761   29.652   39.616  112.912   35.552   15.982   76.561   32.873 -41.00977 36.55227 
1 1 1   21   26   24 f  105.963   17.381  151.748   44.396  154.480   47.575  133.332  123.523  106.381   18.585   95.192   36.716 11.18810 41.15230 
1 1 1   21   26   25 o   69.099   20.309   66.278   37.367   73.580   39.584   6.5274  113.230   72.517   20.787   71.012   31.625 1.504616 37.84431 
1 1 1   21   26   26 o  120.557   36.367  242.162  118.610  242.162  118.610   0.0000   0.0000  120.557   36.367  ?   ?  0.000000 36.36684 
1 1 1   21   26   27 o  174.376   23.970  431.818  101.615  592.393  140.749  257.006  146.856  199.211   29.156  119.611   40.899 79.59925 50.22744 
1 1 1   21   26   28 o  161.699   14.885  345.153   59.431  341.578   66.799  358.730  130.170  159.550   17.029  147.443   35.728 12.10703 39.57905 
1 1 1   21   26   29 o  131.488   16.664  232.751   53.488  248.042   59.686  170.381  120.544  134.897   18.181  100.928   36.810 33.96919 41.05548 
1 1 1   21   26   30 o   90.658   34.298  128.221  106.451   0.0000   0.0000  128.221  106.451  ?   ?    90.658   34.298 0.000000 34.29824 
1 1 1   21   27    0 o  101.512   15.897  140.444   38.976  136.031   40.187  210.373  159.976   99.413   16.786  103.152   41.177 -3.739243 44.46708 
1 1 1   21   27    1 o   98.279   16.118  131.634   38.185  119.817   39.368  319.425  156.934   92.947   17.606  126.325   42.283 -33.37842 45.80208 
1 1 1   21   27    2 o   93.941   16.352  120.374   36.965  124.877   38.096   47.850  152.895   95.625   16.553   81.418   36.467 14.20648 40.04832 
1 1 1   21   27    3 o  109.633   29.374  187.827   82.044  187.827   82.044   0.0000   0.0000  109.633   29.374  ?   ?  0.000000 29.37442 
1 1 1   21   27    4 o  136.224   13.987  244.294   46.906  232.846   49.150  361.151  157.038  132.390   15.139  140.040   41.756 -7.650467 44.41544 
1 1 1   21   27    5 o   84.755   17.803   98.953   36.481  109.191   37.772 -43.1672  140.727   89.231   17.577   70.747   32.905 18.48376 37.30514 
1 1 1   21   27    6 o   96.960   16.617  127.067   38.786  132.483   40.385   62.688  139.229   98.900   16.963   83.944   36.276 14.95592 40.04566 
1 1 1   21   27    7 o   97.685   15.850  127.895   37.340  123.655   38.697  185.215  142.270   95.625   16.819  105.980   39.746 -10.35560 43.15857 
1 1 1   21   27    8 o   68.192   19.761   64.187   35.599   66.550   36.873   31.771  136.582   69.344   20.116   79.872   35.192 -10.52789 40.53555 
1 1 1   21   27    9 o  170.519   13.801  378.456   58.263  380.685   62.483  363.607  161.283  170.497   14.823  144.145   42.145 26.35170 44.67539 
1 1 1   21   27   10 o  122.796   14.662  198.253   44.072  190.515   46.273  273.834  144.620  119.848   15.850  126.661   40.480 -6.813385 43.47292 
1 1 1   21   27   11 o  155.964   13.872  316.673   53.462  329.859   57.253  226.864  149.415  158.859   14.596  116.060   41.150 42.79916 43.66190 
1 1 1   21   27   12 o   35.738   15.418  -0.8136   25.066  -0.5989   25.563  -6.1822  127.812   36.153   15.584   73.657   33.139 -37.50345 36.62026 
1 1 1   21   27   13 o  132.472   15.491  231.271   50.277  231.271   50.277   0.0000   0.0000  132.472   15.491  ?   ?  0.000000 15.49077 
1 1 1   21   27   14 o   81.948   28.722   92.705   72.619   64.437   82.876  186.176  150.704   75.751   29.827  108.125   40.833 -32.37350 50.56609 
1 1 1   21   27   15 o   62.120   19.017   51.941   32.266   57.255   33.209 -37.7258  136.406   64.868   19.169   71.944   33.082 -7.075317 38.23456 
1 1 1   21   27   16 o  138.363   14.513  250.593   49.398  254.720   52.265  216.032  151.243  139.163   15.292  113.888   41.278 25.27441 44.01983 
1 1 1   21   27   17 o  240.181   13.263  745.728   79.239  717.142   87.861  870.308  183.418  234.347   15.094  242.412   31.010 -8.065079 34.48879 
1 1 1   21   27   18 o  123.106   15.555  200.471   46.753  205.069   49.252  158.577  148.656  124.211   16.270  102.250   40.043 21.96141 43.22206 
1 1 1   21   27   19 o  108.006   16.007  155.550   41.867  132.967   43.749  401.216  144.291   98.713   18.425  157.283   37.302 -58.57057 41.60460 
1 1 1   21   27   20 o  217.986   17.138  630.541   92.537  599.173  108.225  715.822  178.447  209.454   20.973  214.879   34.417 -5.424850 40.30398 
1 1 1   21   27   21 o   45.592   17.799   18.783   29.302   14.886   30.115   87.990  126.913   44.425   17.819   86.831   35.915 -42.40596 40.09247 
1 1 1   21   27   22 o   67.748   19.181   63.483   33.919   63.489   35.188   63.402  127.445   67.743   19.651   82.524   35.165 -14.78192 40.28330 
1 1 1   21   27   23 o   49.252   18.713   25.242   31.773   30.433   32.938 -44.2479  120.515   51.862   19.188   66.162   30.662 -14.30036 36.17081 
1 1 1   21   27   24 o  124.181   16.244  206.290   49.164  231.640   53.234   59.245  128.209  131.513   16.578   81.443   35.001 50.06992 38.72853 
1 1 1   21   27   25 o  119.054   16.499  190.449   47.732  225.678   51.564 -20.4673  126.170  129.874   16.255   69.942   32.034 59.93262 35.92231 
1 1 1   21   27   26 o   93.562   34.434  136.367  105.823  136.367  105.823   0.0000   0.0000   93.562   34.434  ?   ?  0.000000 34.43378 
1 1 1   21   27   27 o  119.644   28.957  220.078   85.585  294.358  115.129  128.325  127.954  133.941   34.278   92.363   36.840 41.57762 50.32059 
1 1 1   21   27   28 o  103.947   18.769  149.707   46.926  153.761   50.831  126.315  122.093  104.607   20.190   91.169   36.105 13.43836 41.36677 
1 1 1   21   27   29 o   80.826   34.028   75.975  116.956   0.0000   0.0000   75.975  116.956  ?   ?    80.826   34.028 0.000000 34.02774 
1 1 1   21   27   30 o  107.086   36.802  204.124  118.945   0.0000   0.0000  204.124  118.945  ?   ?   107.086   36.802 0.000000 36.80177 
1 1 1   21   28    0 o   36.397   15.623   2.1752   25.491   5.5604   25.827 -125.2356  158.447   37.815   15.959   63.446   30.920 -25.63147 34.79548 
1 1 1   21   28    1 o  108.349   15.391  159.810   40.473  148.997   41.713  333.675  167.265  103.857   16.646  122.040   43.510 -18.18369 46.58559 
1 1 1   21   28    2 o  108.399   15.348  159.378   40.384  165.367   41.704   69.257  161.786  110.323   15.571   82.439   37.169 27.88315 40.29873 
1 1 1   21   28    3 o   48.006   17.714   26.828   28.032   16.212   28.485  352.445  157.760   43.588   17.383  131.818   42.295 -88.22932 45.72821 
1 1 1   21   28    4 o   87.265   29.337  119.544   75.548  119.544   75.548   0.0000   0.0000   87.265   29.337  ?   ?  0.000000 29.33659 
1 1 1   21   28    5 o  105.827   15.709  151.301   40.254  149.386   41.753  176.554  151.624  104.745   16.509   99.791   39.999 4.953705 43.27216 
1 1 1   21   28    6 o   85.509   17.937  101.597   37.078  103.837   38.247   66.621  151.143   86.301   18.314   83.904   36.992 2.396690 41.27700 
1 1 1   21   28    7 o  116.077   15.063  179.786   42.634  180.653   44.528  170.243  147.734  116.008   15.780  100.229   39.708 15.77888 42.72920 
1 1 1   21   28    8 o   38.645   15.962   7.7440   25.020   7.7440   25.020   0.0000   0.0000   38.645   15.962  ?   ?  0.000000 15.96232 
1 1 1   21   28    9 o  104.389   18.736  150.209   47.046  156.486   49.742   96.977  144.857  106.216   19.471   88.921   37.676 17.29507 42.40968 
1 1 1   21   28   10 o   84.885   17.636   99.091   36.163  108.069   37.426 -27.1990  140.371   88.794   17.501   72.363   33.379 16.43081 37.68846 
1 1 1   21   28   11 o  133.745   14.519  235.803   47.714  229.934   50.285  288.819  151.135  131.520   15.616  126.339   41.463 5.180847 44.30666 
1 1 1   21   28   12 o   33.078   14.579  -4.9155   23.461  -7.1188   23.825   65.545  134.730   32.637   14.523   83.621   35.907 -50.98355 38.73265 
1 1 1   21   28   13 o   97.701   15.892  128.168   37.440  120.831   38.774  229.353  143.994   94.309   17.094  114.560   40.420 -20.25130 43.88622 
1 1 1   21   28   14 o   78.704   29.518   82.422   78.470   82.422   78.470   0.0000   0.0000   78.704   29.518  ?   ?  0.000000 29.51812 
1 1 1   21   28   15 o   80.847   18.408   90.397   36.330   95.021   37.549   22.598  143.777   82.856   18.603   79.404   35.479 3.451813 40.06007 
1 1 1   21   28   16 o   56.500   18.563   41.856   30.288   38.932   30.960  107.072  146.221   55.192   18.779   91.713   38.292 -36.52069 42.64899 
1 1 1   21   28   17 o  219.567   13.491  627.030   73.613  619.109   80.396  668.122  183.112  217.215   14.912  202.185   37.653 15.03000 40.49820 
1 1 1   21   28   18 o   97.556   16.717  128.750   39.259  122.841   40.735  205.922  147.204   94.744   17.872  109.291   40.539 -14.54686 44.30398 
1 1 1   21   28   19 o  231.735   13.510  698.873   77.843  664.926   85.487  863.633  188.334  224.722   15.325  236.372   32.790 -11.64923 36.19453 
1 1 1   21   28   20 o   77.517   20.317   84.686   39.805   91.567   41.513   6.2046  140.201   80.511   20.572   76.229   34.463 4.282074 40.13653 
1 1 1   21   28   21 o  157.368   14.311  325.507   55.625  341.552   59.471  213.367  157.224  160.849   14.978  109.518   41.623 51.33131 44.23597 
1 1 1   21   28   22 o   68.677   19.454   65.864   34.881   70.591   36.137   1.4244  133.426   70.955   19.697   73.964   33.513 -3.009064 38.87317 
1 1 1   21   28   23 o  166.936   14.853  367.980   61.270  408.605   66.801  152.671  153.785  175.626   15.387   98.109   39.939 77.51700 42.79998 
1 1 1   21   28   24 o   99.872   17.526  136.521   42.115  143.227   44.377   75.730  133.604  102.083   18.070   83.841   35.872 18.24232 40.16617 
1 1 1   21   28   25 o   77.442   19.776   84.784   38.379   84.562   40.188   87.079  129.372   77.117   20.512   84.878   35.764 -7.761269 41.22843 
1 1 1   21   28   26 o  102.655   34.062  175.023  101.892  175.023  101.892   0.0000   0.0000  102.655   34.062  ?   ?  0.000000 34.06208 
1 1 1   21   28   27 o   49.558   19.346   24.154   34.612   23.307   36.070   34.003  122.959   49.805   19.656   75.163   33.240 -25.35784 38.61663 
1 1 1   21   28   28 o   64.465   21.016   57.694   38.853   48.895   40.887  139.576  124.727   60.976   21.536   92.738   36.566 -31.76121 42.43712 
1 1 1   21   28   29 o   99.886   37.424  177.758  126.071   0.0000   0.0000  177.758  126.071  ?   ?    99.886   37.424 0.000000 37.42413 
1 1 1   21   29    0 o   59.834   19.842   51.295   34.579   54.301   35.341 -16.0802  167.326   61.265   20.048   70.895   33.839 -9.629734 39.33209 
1 1 1   21   29    1 o   71.673   18.503   74.571   33.343   68.929   34.049  206.523  164.659   68.683   19.138   96.032   40.399 -27.34901 44.70331 
1 1 1   21   29    2 o  111.977   15.036  170.938   40.982  176.246   42.260   87.135  167.920  113.567   15.290   82.166   37.373 31.40021 40.37927 
1 1 1   21   29    3 o   94.762   16.261  124.360   37.093  125.643   38.098  101.011  162.567   95.034   16.661   84.324   37.698 10.70965 41.21542 
1 1 1   21   29    4 o  120.257   15.165  195.930   44.529  207.995   46.142   32.430  169.858  123.904   15.234   78.491   36.385 45.41251 39.44508 
1 1 1   21   29    5 o   64.910   26.603   45.302   68.811   45.302   68.811   0.0000   0.0000   64.910   26.603  ?   ?  0.000000 26.60274 
1 1 1   21   29    6 o   83.672   27.992  109.375   68.776   85.137   76.395  213.028  157.983   76.584   29.036  103.306   41.020 -26.72171 50.25650 
1 1 1   21   29    7 o  147.096   14.747  288.862   53.440  288.862   53.440   0.0000   0.0000  147.096   14.747  ?   ?  0.000000 14.74690 
1 1 1   21   29    8 o  101.072   16.178  139.184   39.456  139.629   40.838  132.949  152.955  100.923   16.794   91.946   38.822 8.977127 42.29906 
1 1 1   21   29    9 o  107.575   15.324  155.819   40.003  152.379   41.483  201.446  151.076  105.925   16.198  103.970   40.464 1.955254 43.58559 
1 1 1   21   29   10 o  128.433   17.311  224.683   54.105  210.939   57.671  325.603  156.275  123.124   19.399  129.308   42.149 -6.184395 46.39927 
1 1 1   21   29   11 o  128.487   14.289  218.859   45.070  198.653   46.958  455.078  160.556  121.552   15.847  158.552   40.427 -36.99992 43.42228 
1 1 1   21   29   12 o  109.705   14.781  160.655   39.461  153.965   40.901  250.686  150.043  106.883   15.800  115.222   41.195 -8.338882 44.12165 
1 1 1   21   29   13 o  176.108   13.331  405.886   58.191  408.265   62.249  389.403  163.854  176.034   14.284  143.276   42.637 32.75764 44.96578 
1 1 1   21   29   14 o  136.095   14.082  244.427   47.165  243.674   49.463  251.969  156.560  135.476   14.865  115.320   41.967 20.15605 44.52183 
1 1 1   21   29   15 o  109.480   30.562  189.766   86.745  189.766   86.745   0.0000   0.0000  109.480   30.562  ?   ?  0.000000 30.56223 
1 1 1   21   29   16 o   77.112   18.333   83.009   34.786   86.946   35.764   13.949  149.774   78.892   18.478   77.891   35.377 1.001152 39.91177 
1 1 1   21   29   17 o   47.443   17.673   24.869   28.037   22.149   28.540  100.006  150.005   46.425   17.712   89.067   38.057 -42.64286 41.97668 
1 1 1   21   29   18 o  108.240   15.431  157.099   40.529  156.652   41.949  163.361  157.095  107.777   16.078   99.243   40.379 8.534286 43.46253 
1 1 1   21   29   19 o  184.674   13.204  445.612   60.491  421.349   64.462  624.517  175.045  178.695   14.573  192.133   37.830 -13.43758 40.53981 
1 1 1   21   29   20 o  170.982   13.518  383.206   57.247  375.849   60.717  442.095  171.781  168.694   14.556  152.782   43.135 15.91209 45.52445 
1 1 1   21   29   21 o   94.261   19.449  124.652   44.260  117.405   46.229  204.339  153.292   90.735   20.842  105.929   40.890 -15.19392 45.89490 
1 1 1   21   29   22 o  291.407   14.208  1113.18  103.393  1114.26  116.437  1109.17  224.817  289.146   16.191  259.882   35.576 29.26364 39.08710 
1 1 1   21   29   23 o   98.055   17.370  132.052   40.976  146.195   42.695 -33.0087  145.861  103.402   17.135   71.591   33.365 31.81156 37.50746 
1 1 1   21   29   24 o  131.079   14.652  228.505   47.140  218.591   49.722  316.573  148.201  127.458   15.973  129.326   40.941 -1.868355 43.94655 
1 1 1   21   29   25 o   65.041   19.622   59.304   34.530   59.868   35.734   51.366  134.135   65.331   20.015   79.046   34.849 -13.71460 40.18799 
1 1 1   21   29   26 o  123.090   33.375  254.070  105.168  254.070  105.168   0.0000   0.0000  123.090   33.375  ?   ?  0.000000 33.37482 
1 1 1   21   29   27 o   64.156   27.077   33.507   74.357  100.156   89.730 -112.5777  132.844   81.995   31.377   60.778   29.306 21.21643 42.93455 
1 1 1   21   29   28 o   89.067   37.146  124.401  137.383   0.0000   0.0000  124.401  137.383  ?   ?    89.067   37.146 0.000000 37.14603 
1 1 1   21   30    0 o   83.925   18.106  103.150   36.833  104.921   37.627   62.551  180.163   84.491   18.358   75.548   35.788 8.942474 40.22225 
1 1 1   21   30    1 o   93.082   20.408  129.977   46.129  128.513   47.829  149.488  174.604   91.878   21.267   84.782   38.383 7.095840 43.88124 
1 1 1   21   30    2 o   74.711   18.650   81.897   34.686   75.874   35.393  228.221  174.458   71.548   19.345   95.712   40.973 -24.16450 45.30998 
1 1 1   21   30    3 o   82.506   18.270   98.448   36.649  105.704   37.501 -55.8356  172.922   85.675   18.096   68.762   33.225 16.91227 37.83340 
1 1 1   21   30    4 o   84.731   17.573  102.313   35.962  110.906   36.790 -82.1400  170.451   88.482   17.270   67.229   32.604 21.25342 36.89594 
1 1 1   21   30    5 o   52.013   23.143   1.2026   60.500   0.2276   65.039   7.4660  164.847   53.348   23.847   73.977   34.796 -20.62984 42.18372 
1 1 1   21   30    6 o   84.070   29.183  116.198   74.887  116.198   74.887   0.0000   0.0000   84.070   29.183  ?   ?  0.000000 29.18332 
1 1 1   21   30    7 o  149.169   14.182  297.916   52.191  327.483   54.845   14.419  169.827  156.436   14.194   76.402   35.738 80.03416 38.45332 
1 1 1   21   30    8 f  117.444   14.853  186.292   42.586  195.560   44.216   67.477  158.318  120.242   15.056   81.114   36.652 39.12811 39.62344 
1 1 1   21   30    9 o  156.605   13.349  324.648   51.707  315.069   54.242  420.009  171.137  153.628   14.303  140.248   43.941 13.37917 46.21039 
1 1 1   21   30   10 o   60.297   18.334   50.844   30.057   56.312   30.709 -73.8310  146.639   63.172   18.367   66.267   31.644 -3.094944 36.58794 
1 1 1   21   30   11 o   39.526   16.363   8.7043   26.377   11.364   26.809 -71.8705  147.551   40.796   16.649   66.861   31.876 -26.06485 35.96204 
1 1 1   21   30   12 o   53.661   18.068   38.072   28.658   40.968   29.212 -36.1137  147.861   55.224   18.234   70.329   33.040 -15.10537 37.73742 
1 1 1   21   30   13 o   65.059   18.003   59.491   30.239   51.947   30.837  248.208  154.233   61.060   18.571  111.270   41.452 -50.21017 45.42159 
1 1 1   21   30   14 o   68.574   18.568   66.459   32.578   79.736   33.391 -196.4279  148.581   75.286   18.004   58.585   28.835 16.70103 33.99422 
1 1 1   21   30   15 o   37.533   15.768   5.3312   25.030   4.8335   25.370   23.511  153.329   37.559   15.832   77.825   35.519 -40.26594 38.88781 
1 1 1   21   30   16 o   89.924   30.037  128.510   79.191  128.510   79.191   0.0000   0.0000   89.924   30.037  ?   ?  0.000000 30.03664 
1 1 1   21   30   17 o   53.279   18.347   36.698   29.571   36.201   30.089   50.772  160.061   53.154   18.496   81.956   36.959 -28.80143 41.32872 
1 1 1   21   30   18 o  253.472   13.581  843.733   85.650  829.137   93.659  918.285  211.679  249.841   15.083  230.077   38.181 19.76407 41.05251 
1 1 1   21   30   19 o  112.271   15.476  169.900   42.235  169.236   43.650  179.639  167.210  111.712   16.113   99.568   41.207 12.14386 44.24524 
1 1 1   21   30   20 o   35.102   15.185  -0.3874   24.450   0.0825   24.763 -18.6579  154.403   35.475   15.314   73.780   34.366 -38.30519 37.62375 
1 1 1   21   30   21 o   63.679   20.121   56.654   35.809   51.084   36.690  168.447  164.363   61.178   20.445   97.730   40.684 -36.55146 45.53201 
1 1 1   21   30   22 f  123.849   15.417  206.285   46.649  223.347   48.727   18.941  161.463  128.912   15.444   78.497   36.058 50.41472 39.22583 
1 1 1   21   30   23 o  129.701   14.886  225.094   47.341  224.259   49.340  234.771  168.004  129.026   15.633  107.820   42.462 21.20574 45.24862 
1 1 1   21   30   24 o  151.535   14.271  305.113   53.366  297.003   56.482  372.593  162.920  148.748   15.430  135.489   42.930 13.25940 45.61869 
1 1 1   21   30   25 o   41.767   17.247   10.550   29.196   10.017   29.846   22.394  140.732   41.917   17.383   75.170   34.199 -33.25286 38.36370 
1 1 1   21   30   26 o  163.965   15.233  360.710   61.657  360.710   61.657   0.0000   0.0000  163.965   15.233  ?   ?  0.000000 15.23251 
1 1 1   21   30   28 o  105.188   40.497  229.028  150.051   0.0000   0.0000  229.028  150.051  ?   ?   105.188   40.497 0.000000 40.49680 
1 1 1   21   31    0 o   42.453   16.979   18.203   27.253   20.625   27.537 -97.5851  190.399   43.566   17.180   63.298   31.422 -19.73186 35.81227 
1 1 1   21   31    1 o   88.819   17.543  115.475   37.531  117.831   38.278   56.904  190.867   89.601   17.735   73.396   35.324 16.20510 39.52607 
1 1 1   21   31    2 f   59.469   18.922   52.274   31.626   51.276   32.101   85.261  184.566   58.960   19.096   76.537   36.247 -17.57637 40.96918 
1 1 1   21   31    3 o   71.331   19.094   76.101   34.684   74.328   35.339  122.633  181.046   70.307   19.465   80.916   37.528 -10.60930 42.27556 
1 1 1   21   31    4 o   64.170   25.714   56.119   62.643   89.259   67.141 -166.6691  174.082   73.861   27.382   61.006   30.244 12.85537 40.79771 
1 1 1   21   31    5 o   54.540   18.335   41.489   29.510   41.489   29.510   0.0000   0.0000   54.540   18.335  ?   ?  0.000000 18.33529 
1 1 1   21   31    6 f   54.870   18.139   42.003   28.904   43.138   29.306   1.5056  175.056   55.486   18.261   73.021   34.787 -17.53504 39.28843 
1 1 1   21   31    7 f   89.817   29.004  137.780   74.099  137.780   74.099   0.0000   0.0000   89.817   29.004  ?   ?  0.000000 29.00437 
1 1 1   21   31    8 o   72.212   18.378   75.461   33.224   78.836   33.890  -7.8682  168.396   73.796   18.442   72.707   34.488 1.089142 39.10894 
1 1 1   21   31    9 o   89.762   16.470  112.511   35.558  106.750   36.418  230.205  164.607   86.871   17.394  100.937   41.231 -14.06583 44.74980 
1 1 1   21   31   10 o   52.515   17.883   36.873   28.077   32.399   28.503  183.008  162.902   50.395   17.962   94.635   40.017 -44.23975 43.86334 
1 1 1   21   31   11 o   71.309   17.729   72.475   31.436   71.420   32.056   98.973  160.584   70.643   18.092   84.066   37.533 -13.42256 41.66589 
1 1 1   21   31   12 o   34.380   15.081  -2.6663   24.836  -4.2652   25.161   57.941  154.914   34.087   15.057   79.245   35.987 -45.15859 39.00985 
1 1 1   21   31   13 o  123.540   14.655  205.596   44.330  205.512   46.004  206.687  165.870  123.128   15.291   99.768   41.144 23.36066 43.89327 
1 1 1   21   31   14 o   78.993   17.578   88.056   33.781   81.611   34.535  230.729  162.488   75.606   18.454  104.341   41.547 -28.73463 45.46091 
1 1 1   21   31   15 o   73.215   17.735   75.901   32.082   68.813   32.729  249.753  162.097   69.432   18.531  108.074   41.955 -38.64176 45.86530 
1 1 1   21   31   16 o   26.547   12.473 -20.1046   21.083 -20.1046   21.083   0.0000   0.0000   26.547   12.473  ?   ?  0.000000 12.47283 
1 1 1   21   31   17 o   78.468   28.023   93.856   69.410  110.665   75.265  -1.7373  179.487   83.577   29.243   77.429   36.384 6.147507 46.67926 
1 1 1   21   31   18 o  116.748   14.902  183.669   42.455  187.065   43.798  130.822  172.783  117.627   15.271   90.614   39.763 27.01325 42.59417 
1 1 1   21   31   19 o   49.142   17.849   29.255   28.299   26.946   28.702  109.640  169.369   48.200   17.896   87.909   38.937 -39.70886 42.85329 
1 1 1   21   31   20 o   96.469   16.244  127.844   37.741  120.767   38.682  267.970  172.131   93.179   17.260  110.876   43.181 -17.69721 46.50252 
1 1 1   21   31   21 o   45.763   17.443   22.393   27.660   22.499   28.056   18.709  165.251   45.966   17.556   77.564   35.931 -31.59839 39.99060 
1 1 1   21   31   22 o   64.223   20.093   58.591   35.797   50.187   36.588  246.832  173.161   60.397   20.415  106.907   42.783 -46.51025 47.40431 
1 1 1   21   31   23 o   97.400   16.605  130.981   38.939  119.106   39.987  348.644  171.195   92.014   18.047  125.273   44.087 -33.25912 47.63779 
1 1 1   21   31   24 f  133.655   14.640  239.959   48.064  245.012   49.953  176.928  176.423  134.771   15.103   95.723   41.096 39.04774 43.78307 
1 1 1   21   31   25 f  146.611   14.476  288.207   52.308  305.073   54.999  128.398  169.295  150.634   14.813   88.922   39.180 61.71272 41.88628 
1 1 1   21   31   26 o  133.859   15.305  242.911   50.242  245.882   52.859  215.121  161.679  134.135   16.103  100.695   40.966 33.43997 44.01747 
1 1 1   21   32    0 f   72.368   26.793   99.888   64.238  107.466   67.690   31.228  203.753   74.110   27.490   66.926   33.096 7.183342 43.02392 
1 1 1   21   32    1 o   47.412   17.729   29.834   28.266   27.547   28.560  138.962  197.306   46.462   17.720   74.706   35.944 -28.24456 40.07518 
1 1 1   21   32    2 o   54.587   18.548   43.941   30.202   47.840   30.585 -108.9463  191.527   56.517   18.658   62.040   30.915 -5.523026 36.10903 
1 1 1   21   32    3 o   69.222   33.738   12.001  188.779   0.0000   0.0000   12.001  188.779  ?   ?    69.222   33.738 0.000000 33.73816 
1 1 1   21   32    4 o  106.594   17.217  164.283   44.267  164.283   44.267   0.0000   0.0000  106.594   17.217  ?   ?  0.000000 17.21711 
1 1 1   21   32    5 o   63.684   18.773   60.664   31.884   58.908   32.394  115.087  180.350   62.727   19.024   78.722   36.825 -15.99504 41.44843 
1 1 1   21   32    6 o   47.107   17.478   27.684   27.366   28.881   27.707 -20.0956  175.089   47.754   17.613   68.882   33.319 -21.12825 37.68760 
1 1 1   21   32    7 o   48.838   17.781   30.697   28.110   32.959   28.477 -55.3372  175.618   49.993   17.939   67.302   32.744 -17.30860 37.33626 
1 1 1   21   32    8 o  103.867   29.051  188.166   78.301  188.166   78.301   0.0000   0.0000  103.867   29.051  ?   ?  0.000000 29.05134 
1 1 1   21   32    9 o   31.819   14.195  -5.6588   22.920  -7.1792   23.128   77.887  171.445   31.491   14.139   78.655   36.494 -47.16429 39.13682 
1 1 1   21   32   10 o   29.271   13.411 -12.3340   22.143  -9.7781   22.332 -161.6187  170.673   30.155   13.682   61.733   30.483 -31.57827 33.41293 
1 1 1   21   32   11 o  104.903   15.344  151.604   39.008  146.657   39.967  250.992  179.150  102.670   16.120  100.297   42.164 2.373573 45.13999 
1 1 1   21   32   12 o   85.579   17.218  103.878   35.520  113.967   36.359 -107.3738  166.376   89.986   16.798   64.891   31.637 25.09444 35.82027 
1 1 1   21   32   13 o   42.593   17.069   15.859   27.604   13.538   27.995   97.296  165.827   41.857   17.040   82.524   37.380 -40.66694 41.08019 
1 1 1   21   32   14 o   56.337   18.155   44.284   29.043   48.853   29.507 -97.5621  164.413   58.746   18.220   65.732   31.911 -6.985241 36.74630 
1 1 1   21   32   15 o   63.001   18.217   56.834   30.283   54.289   30.770  135.308  170.867   61.638   18.507   87.844   38.999 -26.20663 43.16750 
1 1 1   21   32   16 o  100.996   16.242  141.176   39.575  147.500   40.696   31.090  169.785  103.217   16.332   77.104   35.955 26.11347 39.49085 
1 1 1   21   32   17 o   44.193   17.590   17.843   29.116   17.843   29.116   0.0000   0.0000   44.193   17.590  ?   ?  0.000000 17.59041 
1 1 1   21   32   18 o  118.121   15.482  190.417   44.567  193.810   45.960  137.004  182.348  118.934   15.871   89.034   39.856 29.89955 42.89941 
1 1 1   21   32   19 o   49.778   17.977   30.971   28.647   30.613   29.036   44.062  175.588   49.719   18.076   79.234   36.820 -29.51459 41.01789 
1 1 1   21   32   20 o   29.795   13.621 -12.3857   22.664 -13.1317   22.851   32.579  177.409   29.731   13.623   78.363   36.613 -48.63170 39.06548 
1 1 1   21   32   21 o   91.386   16.792  116.661   36.909  121.491   37.716   7.3370  179.425   93.291   16.808   76.343   36.029 16.94810 39.75616 
1 1 1   21   32   22 o   47.019   17.801   24.969   28.688   25.893   29.082  -8.3675  174.733   47.560   17.943   74.379   35.238 -26.81904 39.54286 
1 1 1   21   32   23 o   49.314   18.817   27.641   32.215   26.694   32.734   56.770  181.550   49.095   18.911   80.479   37.412 -31.38351 41.92016 
1 1 1   21   32   24 o   38.552   16.278   6.0823   26.891   3.9544   27.219   92.751  173.706   37.994   16.222   83.109   37.882 -45.11501 41.20935 
1 1 1   21   32   25 o  147.371   13.978  291.749   50.824  276.753   52.759  484.993  189.391  142.738   15.027  140.376   46.432 2.361557 48.80332 
1 1 1   21   32   26 o   76.780   35.759   42.374  167.104   0.0000   0.0000   42.374  167.104  ?   ?    76.780   35.759 0.000000 35.75930 
1 1 1   21   33    0 o   41.021   19.486 -26.4995   54.134 -26.4995   54.134   0.0000   0.0000   41.021   19.486  ?   ?  0.000000 19.48571 
1 1 1   21   33    1 o   47.606   21.779   4.4339   58.089  -6.2897   60.442  134.174  210.235   46.445   21.589   69.068   34.054 -22.62354 40.32080 
1 1 1   21   33    2 o   73.022   35.651  173.191  213.351   0.0000   0.0000  173.191  213.351  ?   ?    73.022   35.651 0.000000 35.65097 
1 1 1   21   33    3 o   51.401   18.097   38.672   28.847   38.672   28.847   0.0000   0.0000   51.401   18.097  ?   ?  0.000000 18.09653 
1 1 1   21   33    4 o   35.652   15.469   2.9894   25.521   4.5166   25.753 -80.4279  190.333   36.297   15.644   62.171   30.954 -25.87363 34.68277 
1 1 1   21   33    5 o   34.880   15.461  -2.0540   26.756  -4.2694   27.027  106.782  189.434   34.385   15.372   73.935   35.482 -39.55033 38.66822 
1 1 1   21   33    6 o   29.876   13.699 -11.5385   23.164  -8.6007   23.351 -192.8498  183.445   30.838   13.992   58.162   29.171 -27.32365 32.35308 
1 1 1   21   33    7 o   80.865   17.337   96.100   33.958   98.122   34.521   35.592  188.851   81.648   17.460   71.355   34.537 10.29340 38.69898 
1 1 1   21   33    8 o   66.383   18.327   65.946   31.378   69.431   31.798 -63.2523  193.615   68.123   18.302   66.732   32.859 1.391670 37.61186 
1 1 1   21   33    9 o  106.540   28.375  200.269   76.842  200.269   76.842   0.0000   0.0000  106.540   28.375  ?   ?  0.000000 28.37519 
1 1 1   21   33   10 o   61.580   18.196   55.854   29.923   54.012   30.305  127.509  189.015   60.576   18.407   81.027   37.836 -20.45102 42.07556 
1 1 1   21   33   11 o   53.215   17.901   39.659   28.129   39.024   28.480   64.965  179.718   52.930   18.011   76.175   35.982 -23.24519 40.23860 
1 1 1   21   33   12 o   71.234   18.117   74.458   32.303   82.200   32.838 -157.4218  179.707   75.093   17.785   62.228   30.828 12.86506 35.59031 
1 1 1   21   33   13 o   82.044   17.443   96.982   34.637   95.616   35.291  132.771  180.652   81.178   17.891   83.560   38.294 -2.381866 42.26691 
1 1 1   21   33   14 o   66.810   19.888   66.428   35.646   65.027   36.386   99.801  177.612   66.065   20.190   80.793   37.365 -14.72808 42.47060 
1 1 1   21   33   15 o  118.712   14.494  192.390   42.073  188.860   43.190  258.007  186.209  117.184   15.111   98.778   42.309 18.40624 44.92638 
1 1 1   21   33   16 o   49.139   17.613   31.105   27.442   31.717   27.776   6.0910  177.527   49.516   17.722   73.422   34.993 -23.90594 39.22473 
1 1 1   21   33   17 o   45.345   17.259   23.206   27.056   20.628   27.369  133.970  179.420   44.325   17.231   85.283   38.729 -40.95843 42.38879 
1 1 1   21   33   18 o  124.287   28.458  257.025   86.422  257.025   86.422   0.0000   0.0000  124.287   28.458  ?   ?  0.000000 28.45813 
1 1 1   21   33   19 o   80.593   17.425   92.970   34.049   91.504   34.621  136.242  188.048   79.710   17.838   85.967   39.274 -6.256836 43.13535 
1 1 1   21   33   20 o   48.739   17.799   29.726   28.197   29.340   28.527   46.103  185.899   48.648   17.882   77.791   36.700 -29.14365 40.82459 
1 1 1   21   33   21 o   79.302   17.875   90.656   34.552   83.661   35.082  317.229  199.656   75.693   18.675  106.203   44.572 -30.50990 48.32599 
1 1 1   21   33   22 o   80.163   17.846   92.603   34.805   91.477   35.405  124.989  189.845   79.442   18.233   84.704   38.979 -5.261917 43.03256 
1 1 1   21   33   23 o   36.219   15.858  -1.1140   27.351  -2.2573   27.626   55.446  194.311   36.029   15.852   78.698   37.248 -42.66961 40.48063 
1 1 1   21   33   24 o   43.631   17.332   18.279   28.215   18.038   28.521   29.320  193.101   43.660   17.400   76.342   36.415 -32.68150 40.35839 
1 1 1   21   33   25 o   69.308   33.797 -67.0614  190.125   0.0000   0.0000 -67.0614  190.125  ?   ?    69.308   33.797 0.000000 33.79705 
1 1 1   21   33   26 o   77.378   36.266   67.378  176.368   0.0000   0.0000   67.378  176.368  ?   ?    77.378   36.266 0.000000 36.26580 
1 1 1   21   34    3 o   83.192   18.126  108.893   36.592  116.327   37.130 -141.8784  215.657   86.401   17.801   57.260   29.060 29.14104 34.07848 
1 1 1   21   34    4 o   30.141   13.804  -9.4889   23.425 -10.1680   23.576   43.013  207.305   30.057   13.796   64.799   32.270 -34.74261 35.09515 
1 1 1   21   34    5 o   19.339   9.6328 -43.6119   18.514 -43.6879   18.596 -34.9816  198.233   19.395   9.6598   62.316   31.116 -42.92100 32.58120 
1 1 1   21   34    6 o   43.144   17.624   18.877   30.079   21.547   30.403 -104.1141  206.373   44.254   17.850   61.097   30.684 -16.84233 35.49861 
1 1 1   21   34    7 o  109.550   15.449  172.325   41.089  167.826   41.912  283.577  208.404  107.509   16.107   84.017   39.392 23.49262 42.55752 
1 1 1   21   34    8 o   70.151   18.611   75.768   33.139   78.719   33.608 -27.8108  199.114   71.515   18.632   65.729   32.542 5.785988 37.49843 
1 1 1   21   34    9 o   57.219   18.244   49.113   29.389   54.129   29.722 -170.5140  196.672   59.815   18.241   60.000   30.109 -0.1853638 35.20326 
1 1 1   21   34   10 o  108.459   28.132  212.900   76.841  212.900   76.841   0.0000   0.0000  108.459   28.132  ?   ?  0.000000 28.13232 
1 1 1   21   34   11 o   64.753   18.085   62.966   30.367   63.870   30.737   26.128  196.260   65.159   18.193   70.895   34.520 -5.735847 39.02070 
1 1 1   21   34   12 o   79.616   17.035   92.584   32.844   92.962   33.337   80.090  191.843   79.628   17.263   74.936   35.894 4.692329 39.82935 
1 1 1   21   34   13 o   66.826   18.105   66.588   30.964   65.427   31.363  111.369  194.739   66.129   18.347   77.995   37.023 -11.86687 41.31958 
1 1 1   21   34   14 o   29.185   13.315 -10.2417   21.523 -13.2016   21.667  209.916  186.865   28.450   13.120   87.556   39.667 -59.10570 41.78085 
1 1 1   21   34   15 o   48.093   18.080   28.791   29.473   27.332   29.843   86.495  187.677   47.565   18.121   76.976   36.483 -29.41082 40.73500 
1 1 1   21   34   16 o   77.069   17.374   86.560   32.638   86.648   33.118   83.585  192.282   76.964   17.613   77.325   36.729 -0.3611298 40.73357 
1 1 1   21   34   17 o   48.034   17.513   29.680   27.283   24.589   27.565  275.107  191.392   45.760   17.419   96.137   42.026 -50.37747 45.49297 
1 1 1   21   34   18 o   79.380   17.626   91.823   34.030   97.031   34.570 -70.8707  193.228   81.762   17.462   67.813   33.278 13.94953 37.58144 
1 1 1   21   34   19 o   50.124   22.373   3.3591   57.016   3.3591   57.016   0.0000   0.0000   50.124   22.373  ?   ?  0.000000 22.37291 
1 1 1   21   34   20 o   84.866   17.128  103.737   35.047   92.285   35.564  488.605  206.168   79.169   18.347  123.388   47.479 -44.21902 50.90072 
1 1 1   21   34   21 o   55.191   18.001   43.502   28.503   38.630   28.772  300.191  208.828   52.731   18.101   97.563   43.224 -44.83170 46.86073 
1 1 1   21   34   22 o   74.803   18.062   82.301   33.358   81.534   33.795  111.410  208.202   74.292   18.329   80.513   38.236 -6.220901 42.40249 
1 1 1   21   34   23 o   92.778   16.503  122.542   36.833  111.805   37.407  464.438  211.087   87.745   17.683  117.211   47.120 -29.46611 50.32821 
1 1 1   21   34   24 o   86.719   40.395  199.251  213.368   0.0000   0.0000  199.251  213.368  ?   ?    86.719   40.395 0.000000 40.39464 
1 1 1   21   34   25 o  100.082   44.345  354.352  219.869   0.0000   0.0000  354.352  219.869  ?   ?   100.082   44.345 0.000000 44.34487 
1 1 1   21   35    6 o   69.921   18.568   78.925   32.966   76.836   33.325  174.262  225.147   68.703   18.854   68.465   34.018 0.2383194 38.89353 
1 1 1   21   35    7 o   64.370   20.695   69.860   37.754   68.989   38.352   97.137  214.701   63.846   20.884   66.681   33.147 -2.835030 39.17716 
1 1 1   21   35    8 o   64.572   18.675   66.408   31.824   68.919   32.193 -41.0665  210.626   65.763   18.711   62.055   31.142 3.707283 36.33107 
1 1 1   21   35    9 o   82.596   17.088  102.978   34.082  107.172   34.538 -52.9687  210.606   84.401   16.975   62.534   31.349 21.86738 35.64998 
1 1 1   21   35   10 o   59.566   18.144   54.862   29.418   57.308   29.709 -68.4333  210.951   60.814   18.168   62.792   31.464 -1.978706 36.33232 
1 1 1   21   35   11 o   61.802   24.830   61.386   58.579   61.386   58.579   0.0000   0.0000   61.802   24.830  ?   ?  0.000000 24.83019 
1 1 1   21   35   12 o   66.346   18.287   67.687   31.271   67.954   31.642   56.493  204.868   66.388   18.432   69.811   34.260 -3.423576 38.90377 
1 1 1   21   35   13 o   51.977   17.869   39.190   28.043   42.190   28.320 -112.1624  201.159   53.513   17.962   62.217   31.108 -8.704113 35.92133 
1 1 1   21   35   14 o   46.184   17.171   27.652   26.440   24.391   26.664  219.538  204.521   44.738   17.108   82.067   38.649 -37.32892 42.26609 
1 1 1   21   35   15 o   31.062   13.944  -5.7318   22.490  -4.2712   22.632 -120.4683  200.592   31.623   14.107   62.670   31.294 -31.04664 34.32652 
1 1 1   21   35   16 o   50.468   17.556   35.843   27.108   36.890   27.368 -18.4112  197.056   51.027   17.646   67.601   33.260 -16.57380 37.65144 
1 1 1   21   35   17 o   61.749   18.068   57.312   29.634   56.737   29.950   84.130  204.501   61.395   18.219   74.237   35.933 -12.84253 40.28832 
1 1 1   21   35   18 o  114.858   14.827  184.774   41.535  182.548   42.341  241.542  213.833  113.782   15.289   85.640   40.072 28.14152 42.88993 
1 1 1   21   35   19 o   38.073   15.826   9.8670   24.818   9.1204   25.003   59.700  204.279   37.878   15.826   73.217   35.551 -35.33871 38.91451 
1 1 1   21   35   20 o   50.341   22.518   7.0744   58.090   7.0744   58.090   0.0000   0.0000   50.341   22.518  ?   ?  0.000000 22.51787 
1 1 1   21   35   21 o   76.152   17.517   85.869   32.618   79.804   32.972  364.038  223.292   72.927   18.171   95.897   43.412 -22.97000 47.06147 
1 1 1   21   35   22 o   36.170   15.447   4.9729   24.689   0.0840   24.835  418.279  228.347   34.568   15.124  100.182   44.741 -65.61423 47.22769 
1 1 1   21   35   23 o   76.523   37.231  108.779  227.028   0.0000   0.0000  108.779  227.028  ?   ?    76.523   37.231 0.000000 37.23051 
1 1 1   21   36   13 o   47.355   17.222   31.711   26.357   35.693   26.556 -231.1191  215.762   49.351   17.364   56.391   28.663 -7.039391 33.51293 
1 1 1   21   36   14 o   48.808   17.424   34.294   26.832   33.313   27.044   96.179  214.734   48.349   17.466   69.033   34.107 -20.68325 38.31918 
1 1 1   21   36   15 o   36.133   15.255   7.8653   23.616   8.7375   23.754 -66.5801  219.459   36.539   15.356   62.942   31.615 -26.40303 35.14756 
1 1 1   21   36   16 o   29.409   13.544 -11.7747   22.979 -11.4942   23.120 -34.4677  207.944   29.586   13.610   64.023   31.953 -34.43741 34.73051 
1 1 1   21   36   17 o   72.847   17.710   81.025   31.904   81.742   32.257   48.750  216.357   73.086   17.832   68.479   33.907 4.607773 38.30973 
1 1 1   22  -17    0 o  147.461   21.230  305.772   75.923  342.815  186.265  298.391   83.143  127.730   45.875  143.465   24.059 -15.73493 51.80108 
1 1 1   22  -17    1 o  110.540   24.270  180.667   65.159  237.066  178.057  171.946   70.016  108.910   43.452  106.218   26.487 2.692261 50.88893 
1 1 1   22  -16    0 o   94.674   24.315  131.074   57.785  185.227  163.124  123.304   61.791  104.316   41.600   91.155   25.918 13.16125 49.01276 
1 1 1   22  -16    1 o   90.655   24.644  121.211   57.253  207.904  170.026  110.123   60.804  107.154   42.553   86.064   26.055 21.09014 49.89587 
1 1 1   22  -16    2 o  131.409   22.316  245.925   70.610  319.180  181.365  232.838   76.658  124.753   45.205  125.637   25.309 -0.8834763 51.80730 
1 1 1   22  -16    3 o   95.723   25.046  137.361   60.560  116.621  175.301  140.171   64.534   92.101   40.242   96.048   26.186 -3.947838 48.01175 
1 1 1   22  -16    4 o   42.901   19.592 -20.2109   46.735   21.363  164.675 -23.8527   48.739   79.271   36.413   43.181   19.826 36.08931 41.46103 
1 1 1   22  -15    0 o   95.990   23.850  132.464   56.915   82.546  162.198  139.473   60.780   90.672   39.168   98.089   24.799 -7.417343 46.35927 
1 1 1   22  -15    1 o   74.000   24.231   76.513   51.627  120.750  159.001   71.300   54.585   95.068   39.831   72.314   24.926 22.75352 46.98734 
1 1 1   22  -15    2 o  108.703   23.513  170.071   61.970  161.746  167.365  171.393   66.712  101.023   41.456  108.147   25.174 -7.123688 48.50058 
1 1 1   22  -15    3 o  152.217   20.954  322.342   77.539  329.727  179.785  320.654   85.943  128.775   45.188  149.703   23.785 -20.92886 51.06590 
1 1 1   22  -15    4 o   59.884   23.445   38.418   50.951 -54.6963  162.874   48.518   53.644   73.221   34.485   63.753   24.293 9.468304 42.18276 
1 1 1   22  -15    5 o   60.476   23.651   40.257   51.804 -19.6409  165.839   46.734   54.533   76.292   35.563   63.152   24.385 13.14006 43.12030 
1 1 1   22  -15    6 o   80.387   26.116   97.054   60.016 -23.5476  171.565  113.870   64.064   76.079   35.693   86.183   26.866 -10.10455 44.67344 
1 1 1   22  -14    0 o   84.764   23.801  101.725   52.449   69.722  146.151  106.456   56.192   88.239   37.630   86.457   24.761 1.782555 45.04624 
1 1 1   22  -14    1 o   79.176   23.938   88.359   51.350  241.314  156.483   69.900   54.360  118.765   42.112   72.303   24.877 46.46167 48.91111 
1 1 1   22  -14    2 o  104.229   22.951  154.100   58.121  250.718  157.073  138.772   62.562  119.636   42.216   97.692   25.406 21.94453 49.27102 
1 1 1   22  -14    3 o  152.274   20.363  318.019   75.491  365.254  176.300  307.414   83.537  139.816   44.696  147.620   23.445 -7.803848 50.47168 
1 1 1   22  -14    4 o   89.746   24.724  117.748   57.179   29.792  158.172  130.971   61.327   82.294   36.959   94.295   25.452 -12.00112 44.87516 
1 1 1   22  -14    5 o   67.291   24.297   59.138   52.327   65.004  156.395   58.398   55.527   85.658   37.703   67.587   24.932 18.07152 45.20106 
1 1 1   22  -14    6 o   85.207   25.484  107.851   58.429 -112.2377  164.418  139.662   62.509   68.870   33.052   96.696   25.516 -27.82586 41.75534 
1 1 1   22  -14    7 o   65.248   24.767   52.676   55.620 -22.5241  166.599   62.110   59.006   76.151   35.546   68.828   25.639 7.322876 43.82833 
1 1 1   22  -14    8 o   56.232   23.301   24.646   53.559 -50.0320  172.249   32.639   56.352   73.876   34.995   59.241   24.153 14.63487 42.52101 
1 1 1   22  -14    9 o   43.367   20.156 -32.2425   52.648 -106.1143  173.165 -24.7186   55.264   68.939   33.296   45.848   21.073 23.09158 39.40402 
1 1 1   22  -13    0 o  110.676   15.021  160.729   40.443  139.365   65.916  173.627   51.216   98.797   26.265  113.692   18.689 -14.89500 32.23567 
1 1 1   22  -13    1 o   96.970   16.686  125.633   38.947  109.011   63.512  135.651   49.306   87.599   26.654   99.351   20.552 -11.75159 33.65685 
1 1 1   22  -13    2 o  154.519   12.810  308.339   48.983  274.737   77.620  330.577   63.145  140.888   22.845  158.512   16.179 -17.62460 27.99356 
1 1 1   22  -13    3 o  247.980   19.021  821.701  116.891  841.843  209.229  812.562  140.937  231.030   37.556  242.432   23.578 -11.40219 44.34424 
1 1 1   22  -13    4 o   64.697   23.688   51.132   49.989 -17.6896  150.419   59.677   53.001   76.798   35.101   68.295   24.477 8.503410 42.79256 
1 1 1   22  -13    5 o  121.749   22.186  208.059   64.968  232.296  162.773  203.467   70.856  114.666   42.610  118.875   24.677 -4.208702 49.23980 
1 1 1   22  -13    6 o  105.128   24.001  159.912   61.621   66.825  161.361  175.805   66.674   87.319   38.369  109.826   24.887 -22.50623 45.73298 
1 1 1   22  -13    7 o   50.074   21.596   5.0510   49.144   0.0000   0.0000   5.0510   49.144  ?   ?    50.074   21.596 0.000000 21.59555 
1 1 1   22  -13    8 o  137.647   45.840  386.537  184.475  386.537  184.475   0.0000   0.0000  137.647   45.840  ?   ?  0.000000 45.83975 
1 1 1   22  -13    9 o  121.389   23.545  214.499   68.798  307.744  177.531  198.021   74.630  121.767   44.632  114.248   26.647 7.518768 51.98180 
1 1 1   22  -13   10 o   94.098   26.135  135.855   63.605   40.224  175.485  150.318   68.245   82.341   37.737   98.479   26.962 -16.13716 46.37947 
1 1 1   22  -13   11 o   54.457   23.168   17.080   55.162 -161.9931  174.862   36.870   58.130   65.408   32.006   60.432   24.573 4.975620 40.35095 
1 1 1   22  -12    0 o   79.207   18.279   84.804   35.420   78.102   59.062   88.569   44.262   77.030   25.939   80.375   21.593 -3.344193 33.75006 
1 1 1   22  -12    1 o  192.900   12.168  475.944   58.316  458.155   89.920  488.857   76.612  185.737   19.687  193.869   15.967 -8.132751 25.34789 
1 1 1   22  -12    2 o  315.816   12.965  1276.33  102.251  1196.18  151.175  1343.92  138.823  299.940   20.303  320.557   17.407 -20.61661 26.74377 
1 1 1   22  -12    3 o  145.590   13.118  273.843   47.180  310.595   75.337  250.129   60.517  151.738   20.399  137.032   18.130 14.70639 27.29127 
1 1 1   22  -12    4 o   65.323   19.597   57.721   34.512   40.995   58.497   66.651   42.743   64.078   25.112   70.052   21.962 -5.973846 33.36089 
1 1 1   22  -12    5 f  175.721   12.341  397.849   53.810  385.577   85.339  405.949   69.329  168.387   20.733  175.708   15.975 -7.320862 26.17365 
1 1 1   22  -12    6 o  163.977   20.362  366.434   81.585  185.374  173.535  417.808   92.437  107.455   42.889  174.258   21.713 -66.80264 48.07245 
1 1 1   22  -12    7 o  100.184   23.570  144.125   57.981  242.445  156.736  128.537   62.408  116.925   42.072   93.584   25.850 23.34177 49.37922 
1 1 1   22  -12    8 o   47.042   20.617  -2.6712   46.329   9.5349  150.260  -3.9534   48.701   78.551   35.581   47.844   21.050 30.70712 41.34108 
1 1 1   22  -12    9 o   83.047   25.203  101.261   56.841  208.679  166.884   87.164   60.456  107.652   42.345   77.880   26.243 29.77207 49.81747 
1 1 1   22  -12   10 f   98.078   25.499  143.941   63.034  224.814  171.150  131.250   67.799  108.898   42.867   92.728   27.386 16.17083 50.86859 
1 1 1   22  -12   11 o   68.022   25.271   60.900   57.249 -33.6758  172.109   72.666   60.705   75.691   35.587   72.270   26.158 3.421402 44.16638 
1 1 1   22  -12   12 o   79.565   26.274   95.613   60.650 -32.2844  173.964  113.309   64.710   75.103   35.453   85.593   27.049 -10.49012 44.59335 
1 1 1   22  -12   13 o   68.282   25.538   63.942   58.656 -176.1831  176.435   93.780   62.194   64.534   31.695   78.300   26.616 -13.76668 41.38866 
1 1 1   22  -11    0 o   88.170   17.088  103.431   36.265  140.671   59.431   81.338   45.776  101.003   23.930   77.500   22.393 23.50333 32.77361 
1 1 1   22  -11    1 o  204.990   11.840  535.275   60.350  500.061   92.317  561.555   79.751  194.992   19.208  208.563   15.422 -13.57089 24.63331 
1 1 1   22  -11    2 o  217.224   12.121  602.052   65.489  526.479   99.658  659.489   86.881  199.257   20.312  225.878   15.497 -26.62027 25.54875 
1 1 1   22  -11    3 o  151.554   12.750  295.088   47.804  318.024   75.468  279.718   61.779  154.329   20.056  145.822   17.303 8.506790 26.48882 
1 1 1   22  -11    4 o  113.330   14.635  167.842   40.451  123.427   65.111  195.760   51.621   93.211   26.640  121.434   17.531 -28.22282 31.89101 
1 1 1   22  -11    5 o   46.383   18.478   16.536   32.155   36.909   55.451   6.2139   39.469   62.178   24.424   46.614   19.703 15.56432 31.38124 
1 1 1   22  -11    6 o   83.494   19.035   95.629   38.807   65.449   72.777  107.619   45.873   74.401   28.309   87.963   21.145 -13.56190 35.33378 
1 1 1   22  -11    7 o  168.705   20.001  385.098   82.619  385.098   82.619   0.0000   0.0000  168.705   20.001  ?   ?  0.000000 20.00052 
1 1 1   22  -11    8 o   76.320   18.805   80.549   35.607  100.172   60.524   70.163   44.033   83.469   26.128   71.239   22.284 12.23028 34.34023 
1 1 1   22  -11    9 o   63.739   23.362   50.003   48.639  174.837  147.844   34.853   51.506  103.702   40.121   59.492   23.485 44.20986 46.48925 
1 1 1   22  -11   10 o   86.902   24.981  110.694   57.097  162.332  157.979  102.935   61.236  100.645   40.657   83.755   26.292 16.89011 48.41701 
1 1 1   22  -11   11 o  100.599   25.114  149.832   62.894  123.197  166.782  154.248   67.907   94.084   40.163  101.259   26.535 -7.175667 48.13656 
1 1 1   22  -11   12 o  172.122   21.257  415.389   89.426  276.846  193.433  453.048  100.850  115.416   45.528  178.007   23.242 -62.59128 51.11771 
1 1 1   22  -11   13 o  157.478   21.242  350.743   81.402  578.331  193.377  301.729   89.740  170.930   44.771  141.644   26.341 29.28571 51.94465 
1 1 1   22  -11   14 o   81.642   26.357  102.259   61.192  131.492  181.460   98.508   64.999   91.629   40.458   80.211   27.210 11.41766 48.75702 
1 1 1   22  -11   15 o   70.379   25.826   71.146   59.465  115.724  180.174   65.697   62.994   87.862   39.454   69.078   26.324 18.78468 47.42975 
1 1 1   22  -10    0 o  137.445   18.366  247.722   61.461  195.762   77.879  333.514  100.072  118.868   26.868  156.214   26.607 -37.34643 37.81300 
1 1 1   22  -10    1 o  134.560   18.878  238.618   61.689  185.751   78.704  322.841   99.339  115.256   27.691  153.223   26.946 -37.96669 38.63775 
1 1 1   22  -10    2 o  125.222   19.532  208.342   59.084  192.297   75.987  232.875   93.962  117.502   26.525  128.042   29.924 -10.54083 39.98832 
1 1 1   22  -10    3 o  119.131   14.235  183.862   41.510  122.411   66.036  224.003   53.372   93.659   26.848  130.823   16.720 -37.16460 31.62880 
1 1 1   22  -10    4 o   81.414   17.929   89.240   35.466   54.647   57.887  110.028   44.875   68.956   25.453   89.864   20.456 -20.90736 32.65421 
1 1 1   22  -10    5 o  173.191   12.197  383.906   52.415  330.002   81.944  421.233   68.189  156.505   21.538  180.227   15.296 -23.72151 26.41649 
1 1 1   22  -10    6 o   75.114   21.438   77.351   42.194  104.737  143.238   74.749   44.154   95.246   38.630   74.008   22.158 21.23836 44.53347 
1 1 1   22  -10    7 o  223.588   11.929  640.005   66.364  589.630  101.798  677.239   87.518  210.222   19.618  228.136   15.453 -17.91409 24.97349 
1 1 1   22  -10    8 o  171.256   12.395  377.634   52.650  320.480   82.628  416.700   68.313  152.625   22.341  178.465   15.482 -25.84052 27.18127 
1 1 1   22  -10    9 o   94.667   16.338  120.226   37.227   59.627   62.379  153.749   46.395   70.230   26.322  106.584   18.077 -36.35359 31.93214 
1 1 1   22  -10   10 o  128.477   13.470  215.544   42.572  239.119   70.422  201.967   53.443  130.742   22.374  122.252   18.049 8.490211 28.74636 
1 1 1   22  -10   11 o   67.002   24.229   57.567   52.063 -137.4185  150.757   83.970   55.477   65.023   31.319   76.950   25.115 -11.92693 40.14504 
1 1 1   22  -10   12 o  213.852   19.445  623.214  102.705  709.539  199.014  591.877  119.906  202.655   40.738  204.073   23.987 -1.417404 47.27549 
1 1 1   22  -10   13 o  101.328   24.754  151.842   62.099  260.468  166.904  134.389   66.902  115.958   43.136   94.083   27.040 21.87450 50.91026 
1 1 1   22  -10   14 o   81.517   25.827   99.292   58.966  139.954  170.052   93.735   62.867   94.725   40.498   79.491   26.761 15.23385 48.54142 
1 1 1   22  -10   15 f   65.479   25.124   53.808   57.626 -41.6695  169.326   66.314   61.284   73.651   34.832   69.899   26.112 3.751625 43.53233 
1 1 1   22  -10   16 f   48.293   21.508  -4.7920   52.383 -14.7074  179.780  -3.8722   54.759   76.144   35.974   49.447   22.009 26.69736 42.17259 
1 1 1   22  -10   17 f   81.861   27.027  106.807   64.177  135.759  184.814  102.837   68.436   88.991   39.960   80.297   27.897 8.694939 48.73418 
1 1 1   22   -9    0 o  125.697   13.420  202.608   41.473  246.902   66.015  173.729   53.305  136.951   19.884  114.648   19.305 22.30349 27.71373 
1 1 1   22   -9    1 o  134.664   13.156  232.177   43.677  241.323   68.946  226.045   56.449  134.795   21.181  131.584   17.622 3.211227 27.55302 
1 1 1   22   -9    2 o  127.288   13.526  208.145   42.334  186.285   66.721  222.876   54.772  117.114   23.629  130.682   17.202 -13.56807 29.22719 
1 1 1   22   -9    3 o  103.950   21.521  146.080   54.025   68.448   68.137  277.515   88.658   76.157   27.690  142.370   25.891 -66.21223 37.90923 
1 1 1   22   -9    4 o  202.189   16.321  528.707   81.702  432.299  109.022  652.216  123.398  178.496   25.156  221.341   22.644 -42.84526 33.84668 
1 1 1   22   -9    5 o  241.082   25.482  788.518  151.082   0.0000   0.0000  788.518  151.082  ?   ?   241.082   25.482 0.000000 25.48188 
1 1 1   22   -9    6 o  218.347   18.783  626.195  101.420  626.195  101.420   0.0000   0.0000  218.347   18.783  ?   ?  0.000000 18.78346 
1 1 1   22   -9    7 o  203.243   11.807  527.420   59.665  558.237   92.551  505.505   78.048  206.078   18.171  197.158   15.990 8.920456 24.20440 
1 1 1   22   -9    8 o  257.988   11.950  848.920   76.988  812.522  117.153  876.588  102.140  247.776   19.081  259.680   15.827 -11.90364 24.79029 
1 1 1   22   -9    9 o   57.402   19.160   42.040   32.222   33.856   54.197   46.515   40.074   60.773   24.059   61.140   21.341 -0.3673439 32.16029 
1 1 1   22   -9   10 o   57.555   19.375   42.310   32.953   26.152   56.089   50.828   40.722   58.989   24.079   62.890   21.536 -3.900959 32.30478 
1 1 1   22   -9   11 o   94.808   16.149  120.554   36.862  105.137   60.957  129.442   46.284   85.384   26.139   96.794   19.815 -11.40963 32.80081 
1 1 1   22   -9   12 o  114.832   14.313  173.785   40.153  204.321   67.066  156.723   50.131  120.001   23.220  106.632   19.547 13.36833 30.35186 
1 1 1   22   -9   13 o  150.155   15.508  298.823   57.313  341.296  174.424  293.682   60.683  133.486   44.578  148.184   16.690 -14.69774 47.59945 
1 1 1   22   -9   14 o   37.876   18.003 -49.3623   46.350   71.670  160.734 -60.3395   48.407   86.772   38.207   37.366   17.933 49.40587 42.20665 
1 1 1   22   -9   15 o   90.106   25.676  122.044   60.577  323.664  172.718   93.765   64.686  126.396   44.295   79.769   27.144 46.62617 51.95053 
1 1 1   22   -9   16 o  109.688   25.221  180.919   67.640  128.883  171.679  190.481   73.592   92.406   40.107  111.437   26.779 -19.03072 48.22482 
1 1 1   22   -9   17 o  158.284   21.305  358.002   82.074  386.339  188.501  351.374   91.169  129.532   46.189  153.763   24.571 -24.23137 52.31741 
1 1 1   22   -9   18 o  125.959   23.924  238.514   72.498  180.178  185.381  249.046   78.772   94.964   41.441  127.137   25.695 -32.17265 48.76056 
1 1 1   22   -9   19 o  108.273   26.179  186.998   70.002   70.879  192.178  204.761   75.165   81.561   38.107  112.609   27.065 -31.04768 46.74066 
1 1 1   22   -8    0 o  110.802   14.332  158.255   38.725  179.201   62.008  144.861   49.583  115.777   22.256  104.524   19.719 11.25298 29.73501 
1 1 1   22   -8    1 o  387.374   13.664  1902.85  132.182  2008.34  192.348  1808.46  181.951  394.830   19.509  374.194   19.540 20.63620 27.61132 
1 1 1   22   -8    2 o  178.429   11.871  404.142   52.592  385.649   80.444  417.947   69.501  172.079   19.039  180.415   15.579 -8.335831 24.60118 
1 1 1   22   -8    3 f  342.410   12.920  1486.60  110.477  1473.13  161.641  1498.41  151.342  337.225   19.275  340.997   17.835 -3.771393 26.26016 
1 1 1   22   -8    4 o  114.957   14.327  170.768   40.235  118.320   63.872  205.272   51.806   92.830   26.335  125.409   16.979 -32.57915 31.33431 
1 1 1   22   -8    5 o   60.242   19.697   45.864   34.120   38.605   56.975   49.922   42.604   64.157   24.883   63.939   22.022 0.2178192 33.22840 
1 1 1   22   -8    6 o  182.697   16.744  433.184   75.539  472.542  101.998  385.375  112.417  188.338   22.108  166.771   27.985 21.56741 35.66384 
1 1 1   22   -8    7 o  102.459   21.523  142.979   53.316  148.433   69.859  135.371   82.512  102.708   26.913   97.951   30.482 4.757156 40.66279 
1 1 1   22   -8    8 f  316.470   17.963  1307.35  141.370  1127.85  196.010  1501.96  204.089  285.343   27.864  332.964   24.722 -47.62134 37.24997 
1 1 1   22   -8    9 o  185.861   11.915  441.782   55.007  477.891   87.126  417.848   70.932  190.217   18.579  179.027   16.036 11.18945 24.54277 
1 1 1   22   -8   10 o  266.335   12.005  905.607   79.843  863.368  120.823  938.351  106.380  255.200   19.098  268.449   15.940 -13.24918 24.87596 
1 1 1   22   -8   11 o   55.405   18.990   38.264   31.661   65.615   55.566   25.116   38.526   71.262   25.113   52.248   20.406 19.01438 32.35854 
1 1 1   22   -8   12 o  168.925   12.115  367.586   50.765  303.372   81.294  408.632   64.995  147.795   22.757  176.818   14.858 -29.02296 27.17766 
1 1 1   22   -8   13 o  181.911   11.963  426.504   54.042  336.594   86.153  484.836   69.393  155.206   22.918  192.604   14.535 -37.39799 27.13840 
1 1 1   22   -8   14 o   58.266   19.342   44.598   32.853   41.901   55.756   46.032   40.662   62.765   24.539   60.435   21.463 2.330193 32.60084 
1 1 1   22   -8   15 o  138.196   13.116  249.619   44.722  215.568   73.265  269.842   56.461  121.583   24.967  142.123   16.198 -20.53998 29.76090 
1 1 1   22   -8   16 o   84.654   25.081  106.201   56.793  153.936  158.415   99.162   60.837   97.560   40.218   81.828   26.266 15.73152 48.03525 
1 1 1   22   -8   17 o  199.993   19.469  552.359   96.001  754.905  201.898  493.186  109.128  204.652   40.936  184.169   24.323 20.48277 47.61710 
1 1 1   22   -8   18 o   47.871   21.035  -0.2421   48.500 -144.4110  163.171   13.729   50.796   64.627   31.469   52.194   22.220 12.43267 38.52321 
1 1 1   22   -8   19 o  129.625   23.850  251.059   74.356  168.220  187.348  266.547   81.009   94.256   41.382  132.154   25.471 -37.89738 48.59231 
1 1 1   22   -8   20 o   58.553   23.564   37.977   52.850   70.030  181.774   35.017   55.237   81.367   37.690   58.308   23.859 23.05830 44.60671 
1 1 1   22   -7    0 o  104.393   14.906  140.888   37.755  169.298   60.160  122.427   48.494  112.675   22.170   95.783   20.865 16.89231 30.44463 
1 1 1   22   -7    1 o  297.867   12.314  1120.40   91.595  1134.01  134.888  1108.76  124.773  297.156   18.266  294.344   17.048 2.812592 24.98580 
1 1 1   22   -7    2 o  372.332   13.444  1755.53  124.997  1844.36  181.841  1675.95  172.107  378.384   19.309  360.728   19.175 17.65491 27.21215 
1 1 1   22   -7    3 o  128.775   13.379  212.273   42.395  228.332   67.012  201.557   54.742  131.350   21.148  124.161   18.196 7.188057 27.89845 
1 1 1   22   -7    4 o  118.472   18.340  184.235   52.505   0.0000   0.0000  184.235   52.505  ?   ?   118.472   18.340 0.000000 18.33982 
1 1 1   22   -7    5 o  154.240   19.373  311.690   72.970  311.690   72.970   0.0000   0.0000  154.240   19.373  ?   ?  0.000000 19.37251 
1 1 1   22   -7    6 o  168.957   12.104  363.411   50.731  329.096   78.124  388.433   66.711  158.013   20.266  173.650   15.549 -15.63707 25.54341 
1 1 1   22   -7    7 o  101.748   15.306  135.214   37.685  117.122   60.294  146.813   48.277   92.169   25.387  104.931   19.129 -12.76246 31.78718 
1 1 1   22   -7    8 o  183.320   11.764  428.010   53.569  419.249   82.902  434.290   70.191  178.719   18.860  183.370   15.473 -4.650253 24.39537 
1 1 1   22   -7    9 o  147.315   17.273  284.504   62.338  296.375   84.898  270.616   91.827  147.379   23.886  138.882   27.450 8.496536 36.38735 
1 1 1   22   -7   10 o  263.579   16.742  904.029  109.623  771.951  151.783  1048.05  158.496  236.778   26.104  279.057   22.948 -42.27882 34.75661 
1 1 1   22   -7   11 o   93.113   21.603  119.921   49.260  103.748   66.234  139.939   73.689   86.096   27.382   98.482   28.399 -12.38580 39.45024 
1 1 1   22   -7   12 o   46.749   18.255   19.213   30.826   22.985   52.571   17.236   38.054   57.063   23.304   49.353   19.948 7.710426 30.67583 
1 1 1   22   -7   13 o  269.086   12.229  928.077   82.175  905.262  125.095  945.395  108.989  260.137   19.396  268.455   16.335 -8.318054 25.35867 
1 1 1   22   -7   14 o   73.671   18.638   74.922   34.315   44.054   58.976   90.721   42.192   64.634   25.247   80.473   20.833 -15.83881 32.73226 
1 1 1   22   -7   15 o  138.027   12.957  247.993   44.137  189.829   72.067  282.904   55.833  113.888   25.922  146.249   15.525 -32.36128 30.21579 
1 1 1   22   -7   16 o  111.793   14.106  165.037   38.501  149.870   63.147  174.012   48.574  100.980   25.140  113.116   17.783 -12.13588 30.79342 
1 1 1   22   -7   17 o  163.182   12.162  345.738   49.206  303.497   79.897  371.550   62.455  146.265   22.603  167.502   15.093 -21.23709 27.17950 
1 1 1   22   -7   18 o   98.341   24.733  144.278   60.681   64.848  164.771  156.741   65.268   84.911   37.957  102.000   25.650 -17.08884 45.81099 
1 1 1   22   -7   19 o  195.324   19.904  532.349   95.727  681.918  204.417  490.335  108.341  185.954   44.596  182.877   24.327 3.077515 50.79983 
1 1 1   22   -7   20 o   59.052   23.670   37.290   53.096 -169.7627  177.834   57.554   55.634   65.037   31.918   65.765   24.816 -0.7282562 40.42973 
1 1 1   22   -7   21 o   53.114   22.536   18.538   51.948  -2.0829  179.010   20.434   54.284   75.280   35.665   54.347   23.047 20.93287 42.46344 
1 1 1   22   -6    0 o  139.781   12.929  248.682   44.619  272.830   69.178  231.480   58.386  144.770   19.643  133.628   17.951 11.14229 26.60965 
1 1 1   22   -6    1 o   99.507   15.274  128.360   36.741  126.440   58.463  129.613   47.235   96.862   24.231   98.920   19.812 -2.057487 31.29957 
1 1 1   22   -6    2 o  213.939   11.650  578.648   62.004  625.972   94.039  542.252   82.469  220.977   17.176  205.893   16.170 15.08437 23.59012 
1 1 1   22   -6    3 o  220.600   11.847  615.674   65.021  536.386   97.846  678.378   87.012  203.557   19.487  230.643   15.193 -27.08546 24.70941 
1 1 1   22   -6    4 o  203.273   11.848  523.320   59.880  561.741   89.998  492.800   80.211  208.963   17.405  195.915   16.550 13.04762 24.01775 
1 1 1   22   -6    5 o  129.722   13.405  215.422   42.799  185.398   67.092  236.023   55.575  117.244   23.730  134.926   16.862 -17.68240 29.11116 
1 1 1   22   -6    6 o   48.357   18.393   21.806   30.716   39.684   52.124   12.296   38.018   63.218   23.980   48.409   19.799 14.80898 31.09756 
1 1 1   22   -6    7 o   69.120   18.847   63.696   33.426   81.049   54.736   53.376   42.210   78.449   24.886   65.424   21.929 13.02483 33.16911 
1 1 1   22   -6    8 o  166.698   11.958  353.791   49.447  406.585   77.397  317.382   64.274  176.801   17.771  156.389   16.717 20.41205 24.39825 
1 1 1   22   -6    9 o   59.422   19.113   45.113   32.201   80.686   54.780   26.332   39.804   77.951   24.914   53.841   20.821 24.10960 32.46884 
1 1 1   22   -6   10 o  183.573   11.847  429.610   54.017  447.294   84.141  417.212   70.452  184.672   18.494  179.431   15.888 5.240662 24.38132 
1 1 1   22   -6   11 o  268.302   12.079  916.200   80.931  962.524  122.469  880.289  107.830  271.234   18.187  260.292   16.677 10.94254 24.67548 
1 1 1   22   -6   12 o  122.693   18.454  200.900   54.790  139.432   73.754  276.594   81.845   98.485   28.415  141.536   24.015 -43.05066 37.20436 
1 1 1   22   -6   13 f   63.196   22.317   49.315   43.904   90.413   60.876   4.7695   63.378   80.884   26.304   56.795   24.509 24.08966 35.95278 
1 1 1   22   -6   14 o  129.323   13.074  216.962   41.642  209.901   68.720  221.058   52.348  122.471   23.322  129.106   16.623 -6.635643 28.63958 
1 1 1   22   -6   15 o   41.749   17.077   10.207   28.288   15.749   46.919   7.0416   35.456   52.474   21.782   44.543   18.743 7.931252 28.73573 
1 1 1   22   -6   16 o  139.372   12.430  251.842   42.807  213.963   69.416  275.086   54.377  122.777   23.497  144.372   15.317 -21.59460 28.04834 
1 1 1   22   -6   17 o  115.873   13.655  176.430   38.753  205.363   65.379  160.759   48.117  120.417   22.571  108.391   18.437 12.02546 29.14442 
1 1 1   22   -6   18 o   85.850   16.626  100.633   34.355  129.207   58.369   85.486   42.496   93.653   24.630   77.431   21.308 16.22234 32.56725 
1 1 1   22   -6   19 o  120.116   13.703  190.646   40.366  157.198   66.531  210.131   50.779  102.054   26.025  124.562   16.749 -22.50819 30.94923 
1 1 1   22   -6   20 o  173.573   20.832  424.392   88.491  322.721  191.228  452.096   99.823  120.245   45.855  176.949   23.145 -56.70425 51.36539 
1 1 1   22   -6   21 o   62.008   23.964   47.039   52.703  164.628  176.749   35.564   55.215   94.749   40.909   59.199   23.993 35.54997 47.42570 
1 1 1   22   -6   22 o  110.996   25.070  190.568   67.848  151.794  189.841  196.246   72.646   90.852   40.668  111.389   26.501 -20.53737 48.54083 
1 1 1   22   -5    0 o  420.357   22.405  2280.20  234.338  2120.14  346.325  2415.35  318.258  395.871   35.407  427.260   30.019 -31.38904 46.42000 
1 1 1   22   -5    1 f  158.274   17.650  322.633   68.573  264.547  139.073  341.292   78.821  136.971   38.861  162.198   19.876 -25.22682 43.64886 
1 1 1   22   -5    2 o  269.527   17.027  927.685  114.015  1192.64  196.284  792.764  140.068  301.300   26.353  246.790   22.993 54.51025 34.97326 
1 1 1   22   -5    3 o  452.829   32.558  2755.77  365.705   0.0000   0.0000  2755.77  365.705  ?   ?   452.829   32.558 0.000000 32.55779 
1 1 1   22   -5    4 o  131.168   17.908  223.473   57.124  243.640   67.045  170.055  109.118  136.346   20.311  111.553   35.109 24.79279 40.56117 
1 1 1   22   -5    5 o  285.112   12.338  1026.58   87.843  1014.92  129.064  1036.65  119.898  280.951   18.499  284.611   16.947 -3.659912 25.08818 
1 1 1   22   -5    6 o  116.648   13.862  174.810   39.589  137.477   62.422  199.931   51.205  100.546   24.974  124.050   16.975 -23.50448 30.19695 
1 1 1   22   -5    7 o  179.473   11.686  408.540   52.088  445.168   80.488  382.147   68.324  185.621   17.573  172.357   16.059 13.26360 23.80578 
1 1 1   22   -5    8 o   72.387   18.322   69.993   33.149   79.957   54.974   64.300   41.553   78.143   24.956   70.092   21.602 8.050964 33.00689 
1 1 1   22   -5    9 o   61.039   19.200   47.965   32.638   57.983   54.371   42.322   40.808   69.846   24.817   60.471   21.498 9.374146 32.83385 
1 1 1   22   -5   10 o  268.922   12.104  917.248   81.286  838.731  120.818  982.182  109.871  253.530   19.226  276.257   15.995 -22.72652 25.00979 
1 1 1   22   -5   11 o  187.580   11.838  448.251   55.167  396.000   84.672  486.793   72.720  173.102   19.953  194.322   15.105 -21.21977 25.02547 
1 1 1   22   -5   12 o  136.740   12.758  240.278   43.061  241.201   69.789  239.710   54.720  133.612   21.658  135.299   16.540 -1.686752 27.25137 
1 1 1   22   -5   13 o  116.359   13.633  175.652   38.863  173.346   63.795  177.014   49.005  111.732   23.604  115.444   17.552 -3.712029 29.41455 
1 1 1   22   -5   14 o  178.153   11.652  406.239   51.553  484.076   81.585  354.500   66.516  191.877   17.210  164.381   16.424 27.49660 23.78916 
1 1 1   22   -5   15 o   56.849   20.802   37.171   38.541   21.343   52.353   55.898   56.946   56.436   23.176   68.257   25.235 -11.82064 34.26233 
1 1 1   22   -5   16 o  287.105   17.184  1088.17  122.635  986.215  172.275  1192.90  174.614  263.720   26.519  293.235   24.058 -29.51599 35.80551 
1 1 1   22   -5   17 o  131.390   12.759  224.343   41.336  236.618   68.342  217.262   51.907  130.429   21.749  127.548   16.698 2.880630 27.41930 
1 1 1   22   -5   18 o  107.871   14.042  153.509   36.928  152.553   62.217  154.029   45.884  102.393   24.633  106.357   17.913 -3.963890 30.45685 
1 1 1   22   -5   19 o   78.479   17.294   84.876   32.979   77.693   55.038   88.899   41.193   74.263   25.039   79.186   20.626 -4.923599 32.44089 
1 1 1   22   -5   20 o  129.102   13.190  218.950   41.928  215.597   68.833  220.928   52.867  122.031   23.440  127.679   17.004 -5.647781 28.95788 
1 1 1   22   -5   21 o  150.345   12.584  296.019   46.810  281.600   75.471  305.034   59.674  140.016   22.336  150.441   16.136 -10.42453 27.55472 
1 1 1   22   -5   22 f  103.238   24.729  161.934   62.915  387.481  182.757  131.611   67.011  130.789   45.579   91.266   27.291 39.52290 53.12481 
1 1 1   22   -5   23 o  112.373   24.897  194.303   68.026  250.025  192.098  186.314   72.739  103.011   43.501  108.066   27.025 -5.055717 51.21232 
1 1 1   22   -4    0 o  366.344   13.778  1694.17  126.047  1569.36  181.168  1811.27  175.483  349.571   20.849  377.092   18.635 -27.52118 27.96310 
1 1 1   22   -4    1 o   75.806   20.574   75.987   39.944   58.419  123.516   78.039   42.212   88.863   35.931   76.848   21.273 12.01509 41.75598 
1 1 1   22   -4    2 o  263.399   22.470  898.784  146.383   0.0000   0.0000  898.784  146.383  ?   ?   263.399   22.470 0.000000 22.46976 
1 1 1   22   -4    3 o  217.861   32.294  642.255  170.372  642.255  170.372   0.0000   0.0000  217.861   32.294  ?   ?  0.000000 32.29399 
1 1 1   22   -4    4 o  265.255   17.519  899.862  115.389  957.395  191.110  866.854  144.753  268.309   28.984  258.275   22.673 10.03397 36.79841 
1 1 1   22   -4    5 o  146.001   18.242  276.138   65.057  219.052  134.890  293.442   74.265  125.204   38.976  149.932   20.362 -24.72768 43.97427 
1 1 1   22   -4    6 o  232.842   16.599  693.729   95.883  896.053  169.111  597.873  116.401  260.267   26.384  214.050   22.094 46.21649 34.41357 
1 1 1   22   -4    7 o  317.289   14.488  1277.39  114.793  1348.38  147.330  1167.69  183.133  323.985   18.285  297.900   24.844 26.08466 30.84755 
1 1 1   22   -4    8 o  138.402   13.220  244.738   45.133  271.276   71.033  226.771   58.448  143.678   20.368  131.819   18.245 11.85905 27.34494 
1 1 1   22   -4    9 o   90.860   16.366  108.541   35.768   78.328   58.082  126.999   45.398   78.021   25.709   97.673   19.297 -19.65186 32.14545 
1 1 1   22   -4   10 o   60.019   19.031   46.082   32.012   34.091   53.021   52.961   40.158   61.609   23.973   64.811   21.378 -3.202110 32.12072 
1 1 1   22   -4   11 o  148.965   12.315  283.306   45.399  251.708   71.557  304.594   58.733  137.247   21.592  153.530   15.533 -16.28314 26.59831 
1 1 1   22   -4   12 o  254.824   11.857  823.876   75.449  808.855  112.838  836.022  101.468  249.201   18.259  254.563   16.044 -5.362045 24.30673 
1 1 1   22   -4   13 o  172.783   11.774  380.924   50.498  365.313   80.299  391.137   64.949  166.022   19.756  173.910   15.105 -7.887802 24.86930 
1 1 1   22   -4   14 o  123.126   12.806  195.522   38.799  169.810   62.219  211.882   49.630  110.789   23.232  127.144   15.985 -16.35569 28.19955 
1 1 1   22   -4   15 o  146.180   11.920  274.265   43.135  282.071   69.358  269.341   55.084  145.012   19.660  143.474   15.627 1.537689 25.11425 
1 1 1   22   -4   16 o  144.472   12.117  268.706   43.310  271.349   70.090  267.074   55.085  141.435   20.438  142.587   15.733 -1.152054 25.79175 
1 1 1   22   -4   17 o  291.164   17.279  1118.91  125.071  1045.50  175.779  1194.18  177.995  272.184   26.185  292.995   24.554 -20.81079 35.89607 
1 1 1   22   -4   18 o  163.784   15.687  353.682   63.373  287.836   88.699  422.348   90.578  141.266   26.105  175.551   21.083 -34.28587 33.55593 
1 1 1   22   -4   19 o  154.483   12.119  308.787   46.375  315.104   76.247  305.077   58.425  151.214   20.738  151.817   15.634 -0.6032867 25.97138 
1 1 1   22   -4   20 o  151.109   12.127  296.186   45.376  255.781   73.885  320.655   57.497  134.227   22.862  155.784   14.964 -21.55641 27.32405 
1 1 1   22   -4   21 o  143.220   12.780  268.130   45.227  258.069   73.413  274.284   57.416  134.401   22.681  142.867   16.390 -8.465271 27.98319 
1 1 1   22   -4   22 o  138.627   13.054  252.732   44.657  212.268   71.670  278.412   57.095  119.451   24.837  143.669   16.197 -24.21772 29.65125 
1 1 1   22   -4   23 o   77.936   18.473   86.289   35.404   66.988   56.859   98.510   45.245   69.231   25.276   81.793   21.768 -12.56271 33.35784 
1 1 1   22   -4   24 o   59.498   24.150   37.507   56.029   0.0000   0.0000   37.507   56.029  ?   ?    59.498   24.150 0.000000 24.14997 
1 1 1   22   -3    0 o  418.541   15.109  2214.89  157.918  1995.88  225.553  2425.47  221.172  393.448   23.057  435.789   20.324 -42.34152 30.73599 
1 1 1   22   -3    1 o  184.358   11.734  429.357   53.738  394.866   80.344  457.276   72.287  175.192   18.652  189.506   15.409 -14.31377 24.19337 
1 1 1   22   -3    2 o  307.731   14.451  1196.66  111.048  1172.67  213.910  1205.50  129.928  298.049   29.112  307.728   16.973 -9.679901 33.69884 
1 1 1   22   -3    3 o  204.290   11.807  527.113   59.977  536.653   89.139  519.222   81.073  204.728   17.607  201.730   16.231 2.997833 23.94693 
1 1 1   22   -3    4 f   78.660   17.448   81.684   33.375   95.175   53.336   73.003   42.787   84.671   24.081   74.587   21.678 10.08419 32.40136 
1 1 1   22   -3    5 o  371.634   13.778  1745.36  127.869  1688.42  184.334  1798.17  177.525  362.391   20.453  374.735   19.033 -12.34363 27.93902 
1 1 1   22   -3    6 o  224.159   11.845  634.985   66.068  615.217   98.506  651.149   89.073  218.862   18.188  225.936   15.888 -7.073761 24.15082 
1 1 1   22   -3    7 o  212.781   13.900  575.348   73.451  705.192  159.232  540.252   82.784  229.797   28.349  205.496   16.265 24.30142 32.68388 
1 1 1   22   -3    8 o  226.119   16.580  654.856   92.970  845.921  166.593  568.436  112.040  252.349   26.849  208.651   21.826 43.69727 34.60118 
1 1 1   22   -3    9 o  278.177   17.259  992.958  119.301  1242.29  200.298  855.874  148.520  305.927   26.480  255.208   23.571 50.71892 35.45072 
1 1 1   22   -3   10 o  105.207   20.822  147.947   52.767  105.729  125.869  156.949   58.121   96.968   37.149  108.001   22.290 -11.03377 43.32291 
1 1 1   22   -3   11 o  110.589   13.986  157.845   37.760  147.008   59.360  165.212   48.938  103.954   23.428  112.012   18.114 -8.057907 29.61361 
1 1 1   22   -3   12 o   67.931   18.198   61.642   31.492   69.261   52.411   57.337   39.397   73.484   24.432   66.519   21.114 6.964294 32.29114 
1 1 1   22   -3   13 o  191.374   11.355  465.501   54.021  414.039   82.994  503.332   71.159  177.626   19.006  197.949   14.496 -20.32333 23.90307 
1 1 1   22   -3   14 o  160.491   11.770  328.794   46.844  353.307   74.186  312.540   60.411  163.886   18.448  155.091   15.820 8.795120 24.30203 
1 1 1   22   -3   15 o  212.206   11.514  574.058   60.784  561.364   94.337  583.070   79.483  206.546   18.485  212.324   15.089 -5.777771 23.86193 
1 1 1   22   -3   16 o  175.917   11.454  395.607   50.044  362.675   79.006  417.673   64.672  164.780   19.584  179.520   14.551 -14.73982 24.39796 
1 1 1   22   -3   17 o  240.350   11.807  737.878   70.862  691.410  108.446  772.503   93.612  227.798   19.244  243.539   15.473 -15.74052 24.69295 
1 1 1   22   -3   18 o   54.970   18.146   38.832   28.930   37.916   48.920   39.325   35.876   60.115   23.129   56.877   20.164 3.238308 30.68453 
1 1 1   22   -3   19 o  125.523   16.635  210.175   50.858  230.243   72.622  190.861   71.246  127.609   23.661  114.860   25.504 12.74862 34.78894 
1 1 1   22   -3   20 f  217.603   15.719  624.068   84.841  536.476  119.280  713.760  120.701  193.958   25.224  227.770   21.474 -33.81152 33.12677 
1 1 1   22   -3   21 o  189.996   11.849  466.418   55.937  428.474   89.249  490.966   71.787  176.201   20.677  193.020   15.011 -16.81949 25.55111 
1 1 1   22   -3   22 o  108.121   14.753  155.975   38.793  108.995   62.854  184.882   49.304   85.263   26.616  116.447   17.496 -31.18382 31.85139 
1 1 1   22   -3   23 o   98.935   15.747  132.778   37.600  137.855   61.800  129.794   47.377   95.385   25.467   95.326   20.511 0.5883789E-01 32.69958 
1 1 1   22   -3   24 o   64.020   22.096   56.873   42.899 -93.2548  181.698   65.736   44.147   71.000   34.245   67.746   22.418 3.254303 40.93023 
1 1 1   22   -3   25 o   47.808   18.832   22.838   33.049   14.612   49.290   29.556   44.545   51.345   21.874   54.025   21.671 -2.680027 30.79144 
1 1 1   22   -2    0 o  286.392   12.424  1032.54   88.851  1011.91  129.128  1051.09  122.448  281.560   18.468  287.409   17.139 -5.849670 25.19501 
1 1 1   22   -2    1 o  500.158   18.791  3183.21  234.694  2729.90  403.767  3414.53  288.422  450.734   36.177  515.987   22.384 -65.25259 42.54218 
1 1 1   22   -2    2 f  321.395   18.250  1317.42  145.866  1317.42  145.866   0.0000   0.0000  321.395   18.250  ?   ?  0.000000 18.24983 
1 1 1   22   -2    3 o  395.591   14.059  1975.77  138.887  1988.22  199.386  1964.03  193.576  393.980   20.335  391.803   19.850 2.176544 28.41720 
1 1 1   22   -2    4 o  100.051   14.496  129.036   35.162  149.805   56.051  115.558   45.152  106.242   21.856   93.431   19.959 12.81133 29.59795 
1 1 1   22   -2    5 o  321.673   12.985  1305.05  104.302  1251.94  151.010  1353.50  144.234  312.559   19.444  325.701   17.801 -13.14206 26.36169 
1 1 1   22   -2    6 o  237.627   11.972  713.104   70.816  724.035  105.472  704.130   95.559  237.808   17.892  234.967   16.389 2.840469 24.26321 
1 1 1   22   -2    7 o  351.941   13.292  1564.43  116.820  1661.61  169.577  1476.65  161.160  360.139   18.922  339.370   19.094 20.76913 26.88186 
1 1 1   22   -2    8 o  127.538   12.931  207.473   40.614  219.299   63.699  199.371   52.720  129.242   20.415  123.910   17.527 5.331474 26.90647 
1 1 1   22   -2    9 o  386.976   13.641  1895.44  131.821  1911.50  190.954  1880.82  182.200  385.202   19.919  383.025   19.049 2.177246 27.56164 
1 1 1   22   -2   10 o  231.857   11.787  680.314   68.022  728.631  102.113  641.769   91.205  238.178   17.286  223.762   16.437 14.41609 23.85368 
1 1 1   22   -2   11 o  142.891   17.863  265.614   62.349  360.977  137.884  241.104   69.903  159.007   35.611  134.845   21.480 24.16147 41.58728 
1 1 1   22   -2   12 o   72.112   22.108   68.415   43.589   80.941  123.367   66.629   46.594   91.149   36.231   71.743   22.982 19.40608 42.90516 
1 1 1   22   -2   13 o  237.664   17.193  729.938  101.352  836.886  177.650  678.331  123.407  246.974   29.381  226.596   22.090 20.37753 36.75898 
1 1 1   22   -2   14 o  328.193   12.801  1369.55  104.915  1391.49  154.401  1350.73  142.997  326.805   19.002  322.785   17.809 4.019897 26.04294 
1 1 1   22   -2   15 o  161.996   11.644  334.768   46.791  284.150   73.168  369.793   60.863  145.855   20.667  169.328   14.535 -23.47391 25.26595 
1 1 1   22   -2   16 o  189.831   11.534  459.686   54.419  458.983   85.309  460.169   70.663  186.613   18.552  188.504   15.139 -1.891663 23.94534 
1 1 1   22   -2   17 o  268.927   11.825  921.958   79.414  879.133  120.270  955.063  105.744  258.018   18.795  271.206   15.681 -13.18817 24.47757 
1 1 1   22   -2   18 o  156.760   11.711  315.357   45.514  257.551   72.472  353.005   58.487  137.011   21.921  164.817   14.354 -27.80547 26.20218 
1 1 1   22   -2   19 o  110.997   13.370  160.772   36.314  146.580   60.019  168.967   45.610  101.453   24.056  112.514   16.743 -11.06126 29.30905 
1 1 1   22   -2   20 o  195.884   11.654  493.165   56.751  447.679   90.089  523.089   73.072  181.516   20.219  200.085   14.728 -18.56921 25.01418 
1 1 1   22   -2   21 o   68.220   18.029   64.184   31.176   73.010   54.060   59.786   38.161   72.934   24.815   66.091   20.756 6.843170 32.35136 
1 1 1   22   -2   22 o   78.399   21.017   87.200   41.985   79.897   59.519   94.433   59.235   75.492   26.028   80.636   25.922 -5.144478 36.73381 
1 1 1   22   -2   23 o  127.836   13.883  215.674   43.608  243.088   75.650  202.031   53.367  129.215   24.338  121.444   18.154 7.771080 30.36288 
1 1 1   22   -2   24 o  210.916   12.198  579.091   63.971  509.518   99.940  627.383   83.265  189.969   21.442  216.914   15.473 -26.94560 26.44230 
1 1 1   22   -2   25 o   89.320   16.952  110.749   36.429   99.454   57.037  118.531   47.343   80.762   25.378   90.046   21.374 -9.284210 33.17986 
1 1 1   22   -1    0 o   77.349   16.992   78.704   31.924   40.857   50.349  104.149   41.284   63.675   23.691   88.843   19.171 -25.16714 30.47606 
1 1 1   22   -1    1 o  294.055   12.335  1088.26   90.574  1037.04  131.047  1135.10  125.325  285.075   18.509  298.836   16.863 -13.76047 25.03847 
1 1 1   22   -1    2 o  302.919   12.565  1155.35   95.051  1070.53  137.260  1233.50  131.752  289.418   19.099  311.478   17.003 -22.05972 25.57118 
1 1 1   22   -1    3 o  128.406   12.630  209.598   39.976  180.617   60.717  231.773   53.111  117.079   21.562  134.373   16.152 -17.29401 26.94034 
1 1 1   22   -1    4 o  209.524   11.353  553.644   59.178  593.252   87.742  520.591   80.154  215.772   16.407  202.151   16.009 13.62091 22.92324 
1 1 1   22   -1    5 o  225.620   12.036  642.625   67.568  627.314  100.015  655.481   91.644  221.338   18.258  226.852   16.286 -5.514328 24.46594 
1 1 1   22   -1    6 o  140.298   12.511  249.949   43.373  254.601   66.841  246.566   57.003  139.935   19.671  138.403   16.840 1.531906 25.89473 
1 1 1   22   -1    7 o  320.567   13.070  1296.58  104.630  1281.44  152.101  1310.19  144.156  316.184   19.357  320.241   18.100 -4.057831 26.50124 
1 1 1   22   -1    8 o  205.768   11.541  534.837   59.061  519.836   88.393  546.935   79.382  201.268   17.769  207.154   15.457 -5.886185 23.55130 
1 1 1   22   -1    9 o  208.626   11.253  549.691   58.409  552.790   87.255  547.175   78.624  207.730   16.969  207.152   15.307 0.5775452 22.85298 
1 1 1   22   -1   10 o  275.426   12.026  957.158   82.715  943.248  121.761  969.078  112.716  271.079   18.091  275.421   16.464 -4.342041 24.46105 
1 1 1   22   -1   11 o  115.246   13.243  170.229   37.421  144.734   59.644  186.779   48.056  103.501   23.600  119.989   16.473 -16.48848 28.78056 
1 1 1   22   -1   12 o  196.174   11.268  487.258   54.970  455.495   83.719  511.329   72.881  187.603   18.095  200.025   14.694 -12.42178 23.30936 
1 1 1   22   -1   13 o  101.628   14.455  133.919   35.650   83.867   57.643  164.922   45.367   79.902   25.559  112.365   16.674 -32.46375 30.51675 
1 1 1   22   -1   14 o  275.403   14.547  969.897   99.687  966.578  203.560  970.944  114.335  263.936   31.508  274.499   16.760 -10.56314 35.68782 
1 1 1   22   -1   15 o   74.031   22.711   73.071   45.992  208.469  129.441   53.508   49.202  118.874   38.329   66.788   23.621 52.08598 45.02325 
1 1 1   22   -1   16 o  140.218   14.487  254.289   49.996  247.422   71.524  260.850   69.913  135.404   21.901  139.643   20.673 -4.239044 30.11690 
1 1 1   22   -1   17 o  135.944   12.177  237.177   40.901  220.014   65.254  248.284   52.493  127.475   21.247  137.990   15.502 -10.51548 26.30092 
1 1 1   22   -1   18 f  234.408   11.445  699.579   66.997  626.162  102.733  753.909   88.376  217.345   19.123  241.413   14.730 -24.06804 24.13842 
1 1 1   22   -1   19 o   93.432   14.686  115.264   33.135  123.734   55.345  110.531   41.369   93.601   23.665   89.960   19.010 3.640961 30.35486 
1 1 1   22   -1   20 o  145.963   12.018  274.553   43.415  247.300   70.538  291.173   55.084  133.851   21.858  149.088   14.999 -15.23727 26.50920 
1 1 1   22   -1   21 o  107.166   13.718  150.679   35.870  140.922   59.357  156.292   45.020   99.050   24.203  107.709   17.325 -8.658745 29.76512 
1 1 1   22   -1   22 o  156.438   11.858  316.015   45.977  280.608   74.895  337.429   58.244  141.971   21.824  160.282   14.716 -18.31155 26.32201 
1 1 1   22   -1   23 o  117.354   17.026  185.999   48.439   0.0000   0.0000  185.999   48.439  ?   ?   117.354   17.026 0.000000 17.02616 
1 1 1   22   -1   24 o   69.030   25.325   62.938   57.177   62.938   57.177   0.0000   0.0000   69.030   25.325  ?   ?  0.000000 25.32513 
1 1 1   22   -1   25 o   83.635   17.435   97.267   35.233  123.028   55.742   80.126   45.468   90.736   24.168   74.247   22.543 16.48901 33.04984 
1 1 1   22   -1   26 o   98.180   15.601  131.451   36.970  100.237   57.416  153.559   48.320   80.971   25.465  104.117   19.295 -23.14621 31.94951 
1 1 1   22    0    0 o  144.665   16.881  268.510   59.836   0.0000   0.0000  268.510   59.836  ?   ?   144.665   16.881 0.000000 16.88097 
1 1 1   22    0    1 o  413.049   21.673  2187.04  222.764  2187.04  222.764   0.0000   0.0000  413.049   21.673  ?   ?  0.000000 21.67262 
1 1 1   22    0    2 o  174.416   11.801  384.289   51.099  369.444   75.332  396.940   69.544  169.676   18.057  176.446   15.956 -6.770798 24.09615 
1 1 1   22    0    3 o  168.775   11.344  359.653   47.531  346.595   71.314  370.090   63.758  164.369   17.650  170.492   15.133 -6.123047 23.24948 
1 1 1   22    0    4 o  216.328   11.721  590.308   63.080  539.384   92.527  634.531   86.224  205.253   18.242  223.467   15.548 -18.21384 23.96918 
1 1 1   22    0    5 o  350.203   12.893  1545.29  112.755  1514.68  162.576  1573.66  156.515  344.413   18.976  351.503   17.890 -7.089935 26.07957 
1 1 1   22    0    6 o  101.174   14.456  131.831   35.486   40.566   54.585  198.634   46.700   64.918   24.560  124.399   15.359 -59.48114 28.96761 
1 1 1   22    0    7 o  366.658   13.646  1696.87  124.942  1745.89  180.143  1651.43  173.436  369.323   19.603  359.255   19.404 10.06796 27.58267 
1 1 1   22    0    8 o  317.358   12.489  1269.49   98.979  1267.48  143.385  1271.33  136.803  314.908   18.313  315.733   17.418 -0.8248291 25.27355 
1 1 1   22    0    9 o  114.724   13.383  168.387   37.619  146.969   58.425  183.556   49.167  104.826   22.955  119.013   17.029 -14.18732 28.58201 
1 1 1   22    0   10 o  131.363   12.647  219.737   40.974  261.317   63.845  190.618   53.428  141.936   18.449  120.941   18.259 20.99540 25.95704 
1 1 1   22    0   11 o  189.656   11.448  454.985   53.963  501.129   82.328  420.227   71.452  197.642   16.842  181.127   15.960 16.51552 23.20272 
1 1 1   22    0   12 o   53.268   18.125   33.835   28.841   24.829   47.966   38.935   36.095   57.092   22.624   57.902   20.252 -0.8093300 30.36386 
1 1 1   22    0   13 o  113.171   13.544  164.612   37.515  154.053   59.138  171.722   48.530  106.866   22.852  114.576   17.518 -7.709930 28.79408 
1 1 1   22    0   14 o  140.183   11.977  250.374   41.524  276.570   65.400  232.681   53.748  145.512   18.410  133.920   16.416 11.59174 24.66574 
1 1 1   22    0   15 o   45.777   17.441   19.448   27.646   16.918   47.228   20.768   34.100   54.040   22.081   49.394   19.224 4.645420 29.27670 
1 1 1   22    0   16 o  136.001   12.416  236.783   41.703  236.566   67.562  236.917   53.006  132.996   21.043  134.946   16.044 -1.949799 26.46164 
1 1 1   22    0   17 o  132.635   18.812  233.172   60.562  262.962  141.917  226.539   66.966  130.521   39.871  129.623   21.438 0.8985748 45.26892 
1 1 1   22    0   18 o   94.689   21.611  123.331   49.974  204.341  137.877  111.080   53.620  115.657   39.628   89.325   23.662 26.33202 46.15483 
1 1 1   22    0   19 o  110.027   15.959  159.810   42.570  111.443   59.611  210.148   60.814   88.831   25.522  124.627   20.235 -35.79561 32.56988 
1 1 1   22    0   20 o  104.168   13.590  141.730   34.508  186.455   57.628  116.728   43.087  116.830   20.500   92.385   19.299 24.44601 28.15495 
1 1 1   22    0   21 o   85.164   15.715   97.168   32.190   57.808   54.753  117.957   39.793   68.235   24.820   93.283   17.731 -25.04771 30.50294 
1 1 1   22    0   22 o   79.775   16.494   86.296   31.772   32.886   54.240  114.196   39.202   60.000   23.968   91.564   17.786 -31.56378 29.84655 
1 1 1   22    0   23 o   85.169   16.496   98.402   33.818   44.974   56.926  127.541   42.040   64.088   24.868   96.565   18.099 -32.47694 30.75646 
1 1 1   22    0   24 o  156.000   12.290  315.858   47.490  308.297   76.939  320.512   60.360  148.705   21.330  155.280   15.786 -6.575195 26.53572 
1 1 1   22    0   25 o   47.659   18.238   23.475   30.318   35.270   49.731   16.499   38.247   58.484   23.080   48.404   19.835 10.07963 30.43233 
1 1 1   22    0   26 o  160.023   15.966  344.378   62.948  279.504   84.683  424.490   94.104  136.593   25.771  172.207   22.414 -35.61383 34.15499 
1 1 1   22    0   27 o   69.111   21.779   69.295   41.976   54.681   52.707   94.638   69.409   64.473   24.190   78.662   28.030 -14.18865 37.02459 
1 1 1   22    1    0 o   89.556   16.423  104.568   35.375  107.258   50.829  102.041   49.264   89.821   22.662   87.654   22.417 2.167229 31.87653 
1 1 1   22    1    1 o  535.418   17.736  3636.15  237.142  3533.02  336.601  3737.78  334.151  523.258   25.760  538.823   24.834 -15.56525 35.78141 
1 1 1   22    1    2 o  157.505   11.524  313.473   45.012  310.005   66.786  316.359   60.929  155.426   17.512  157.439   15.707 -2.013733 23.52451 
1 1 1   22    1    3 o  194.019   11.208  474.598   54.074  447.236   79.644  497.997   73.651  187.076   17.243  198.018   15.006 -10.94212 22.85785 
1 1 1   22    1    4 o  148.628   11.828  279.553   43.535  248.424   65.739  303.870   58.103  138.393   19.568  154.337   15.276 -15.94397 24.82438 
1 1 1   22    1    5 o  245.626   11.696  758.799   71.741  687.125  104.353  823.034   98.790  231.885   18.166  254.634   15.612 -22.74927 23.95283 
1 1 1   22    1    6 o  211.008   11.502  561.568   60.376  530.658   88.893  588.038   82.260  203.707   17.649  215.094   15.417 -11.38742 23.43457 
1 1 1   22    1    7 o  180.729   11.235  412.268   50.455  429.962   75.180  397.767   68.060  183.441   16.591  176.624   15.591 6.816116 22.76726 
1 1 1   22    1    8 o  209.979   11.369  556.245   59.392  487.936   87.349  614.981   80.997  195.031   18.143  220.049   14.826 -25.01817 23.43062 
1 1 1   22    1    9 o  170.979   11.506  369.565   48.843  343.772   73.305  390.157   65.500  163.324   18.287  174.929   15.144 -11.60422 23.74367 
1 1 1   22    1   10 o  167.835   11.659  356.425   48.563  329.658   73.845  376.823   64.463  159.644   18.890  171.823   15.180 -12.17851 24.23321 
1 1 1   22    1   11 o  354.704   13.102  1589.20  116.055  1590.57  168.285  1587.95  160.261  352.051   19.215  352.211   18.284 -0.1597595 26.52374 
1 1 1   22    1   12 o   73.489   17.112   71.542   30.816   26.687   49.737   99.490   39.259   58.473   23.080   86.584   18.704 -28.11153 29.70716 
1 1 1   22    1   13 o   77.172   16.983   78.892   31.840   86.599   52.521   74.414   40.035   80.787   24.162   74.784   20.722 6.003288 31.83075 
1 1 1   22    1   14 o  213.865   11.651  579.388   61.989  554.197   93.262  599.327   82.971  207.017   18.226  216.365   15.458 -9.347595 23.89877 
1 1 1   22    1   15 o   38.184   16.196   1.5791   26.816 -23.6072   46.329   14.268   32.884   43.540   19.736   46.406   18.618 -2.865669 27.13235 
1 1 1   22    1   16 o  278.541   12.224  983.658   85.028  944.097  126.637  1016.14  114.738  269.444   18.941  280.951   16.426 -11.50665 25.07141 
1 1 1   22    1   17 o  135.926   12.181  236.356   40.908  212.114   65.394  251.941   52.433  125.524   21.644  139.433   15.311 -13.90813 26.51201 
1 1 1   22    1   18 o   39.703   16.316   7.5636   25.971   11.660   45.000   5.5175   31.802   51.203   21.299   42.474   17.805 8.728786 27.76118 
1 1 1   22    1   19 o  135.564   14.620  238.761   48.710  276.843  144.365  233.869   51.744  132.152   40.179  133.723   15.801 -1.570816 43.17434 
1 1 1   22    1   20 o   78.736   22.879   85.820   47.660   0.5683  134.020   98.163   50.994   77.285   34.413   83.833   23.443 -6.548218 41.63922 
1 1 1   22    1   21 o  134.150   19.081  242.128   62.119  554.396  162.081  188.362   67.254  190.239   35.421  115.640   24.072 74.59898 42.82700 
1 1 1   22    1   22 o   53.958   18.642   36.039   30.540   7.4171   58.360   46.832   35.838   55.068   23.639   60.181   20.206 -5.112625 31.09780 
1 1 1   22    1   23 o  144.985   21.267  289.638   74.710  289.638   74.710   0.0000   0.0000  144.985   21.267  ?   ?  0.000000 21.26733 
1 1 1   22    1   24 o  206.266   11.715  547.982   60.096  555.185   96.149  543.363   76.986  202.509   19.244  203.241   15.281 -0.7322083 24.57315 
1 1 1   22    1   25 o   81.968   17.008   92.170   33.672   16.491   55.979  135.077   42.150   55.618   23.485   99.379   17.630 -43.76051 29.36624 
1 1 1   22    1   26 o  145.326   12.407  275.530   44.595  300.375   72.074  260.117   56.766  146.898   20.181  138.811   16.712 8.087921 26.20214 
1 1 1   22    1   27 o   41.999   17.351   10.492   29.573 -12.6399   46.255   26.485   38.460   44.179   19.901   51.592   20.317 -7.413334 28.43978 
1 1 1   22    2    0 o   75.852   16.571   75.582   30.510   33.674   46.182  108.040   40.643   59.743   22.594   90.656   18.577 -30.91312 29.25044 
1 1 1   22    2    1 o  415.493   14.595  2178.40  151.428  2167.41  215.559  2189.10  212.769  411.617   21.042  414.374   20.562 -2.757050 29.42010 
1 1 1   22    2    2 o  141.695   12.080  254.315   42.335  227.233   62.882  276.765   57.253  132.280   19.632  147.143   15.831 -14.86305 25.21946 
1 1 1   22    2    3 o  188.628   11.730  449.041   54.977  376.406   80.415  512.785   75.332  171.037   19.157  200.944   15.123 -29.90668 24.40681 
1 1 1   22    2    4 o  297.561   12.223  1114.01   90.826  968.262  130.031  1252.88  126.921  275.308   19.030  314.251   16.229 -38.94244 25.01080 
1 1 1   22    2    5 f  152.091   11.604  292.503   43.740  244.887   65.092  331.706   59.063  137.404   19.519  161.415   14.818 -24.01085 24.50672 
1 1 1   22    2    6 o  472.072   16.006  2820.41  188.691  2499.02  268.021  3136.24  265.692  439.797   24.502  495.141   21.488 -55.34390 32.58932 
1 1 1   22    2    7 o  170.255   11.555  366.202   48.836  309.210   72.069  414.591   66.407  154.751   19.052  180.549   14.861 -25.79803 24.16210 
1 1 1   22    2    8 o   35.413   15.360  -3.5322   25.150 -22.9966   41.019   8.1939   31.837   40.878   18.546   43.911   18.057 -3.032959 25.88467 
1 1 1   22    2    9 o   91.469   14.885  108.429   32.830  121.283   51.812   99.806   42.435   95.369   22.175   86.729   20.002 8.639656 29.86346 
1 1 1   22    2   10 f  163.765   11.495  339.170   46.712  324.559   70.272  350.737   62.525  158.699   18.053  165.756   15.277 -7.057327 23.64993 
1 1 1   22    2   11 o  307.588   12.331  1192.83   94.717  1239.27  138.427  1151.94  129.882  311.386   17.877  300.366   17.390 11.01978 24.94014 
1 1 1   22    2   12 o  303.164   11.854  1158.57   89.741  1219.29  132.300  1106.82  122.135  308.931   17.218  294.507   16.676 14.42496 23.96930 
1 1 1   22    2   13 o   72.125   17.226   68.958   30.598   98.104   50.304   51.841   38.550   85.516   23.038   64.303   20.933 21.21252 31.12814 
1 1 1   22    2   14 o  199.743   11.504  505.032   57.139  499.220   86.942  509.451   75.812  196.709   17.895  199.577   15.329 -2.868027 23.56262 
1 1 1   22    2   15 o  248.593   11.688  780.794   72.558  753.566  108.586  802.758   97.527  241.612   18.129  250.436   15.674 -8.823486 23.96527 
1 1 1   22    2   16 o  236.354   11.530  706.352   68.052  698.488  102.265  712.603   91.168  232.434   17.753  235.706   15.577 -3.271667 23.61794 
1 1 1   22    2   17 o   38.265   16.052   3.6874   25.877   30.170   44.969  -9.4241   31.641   57.284   22.137   37.926   16.813 19.35718 27.79774 
1 1 1   22    2   18 o   74.324   16.920   73.936   30.699   74.766   51.289   73.473   38.322   75.184   24.115   73.762   20.208 1.421432 31.46286 
1 1 1   22    2   19 o  167.849   11.522  359.368   48.002  338.778   75.424  373.385   62.233  159.961   19.270  169.957   14.811 -9.995529 24.30405 
1 1 1   22    2   20 o   37.275   15.824   1.9317   25.633   7.8396   45.743  -0.7725   30.948   50.283   21.231   39.814   17.154 10.46977 27.29486 
1 1 1   22    2   21 o  130.493   12.098  219.183   38.975  202.178   63.890  229.262   49.188  121.314   21.895  132.391   15.151 -11.07606 26.62614 
1 1 1   22    2   22 o  157.393   14.263  322.278   55.449  486.715  174.623  303.839   58.476  171.781   41.231  152.191   15.607 19.58974 44.08641 
1 1 1   22    2   23 o  107.443   21.871  161.131   56.687  268.094  160.123  145.804   60.612  124.244   42.699  100.963   24.328 23.28101 49.14354 
1 1 1   22    2   24 o  158.802   14.274  329.675   55.999  284.407   76.421  382.168   82.294  143.068   22.103  167.588   20.063 -24.52026 29.85059 
1 1 1   22    2   25 o   71.313   17.567   70.114   31.079   49.459   53.092   80.881   38.333   64.471   24.260   75.967   19.951 -11.49593 31.41003 
1 1 1   22    2   26 o   96.600   15.201  125.159   35.458   77.635   58.746  152.393   44.472   74.443   25.847  105.721   17.454 -31.27769 31.18866 
1 1 1   22    2   27 o   48.424   18.106   26.123   29.479   62.626   48.437   4.6487   37.151   67.533   23.469   44.155   18.905 23.37746 30.13610 
1 1 1   22    2   28 o   66.161   18.800   61.936   32.522   75.795   51.079   52.488   42.175   72.217   24.123   62.338   21.886 9.879799 32.57191 
1 1 1   22    3    0 o   74.175   16.132   72.215   29.029   63.748   45.668   77.956   37.604   71.177   22.748   76.835   19.551 -5.657944 29.99483 
1 1 1   22    3    1 o  138.636   11.676  243.275   40.044  217.527   59.054  265.194   54.484  129.589   18.797  144.107   15.378 -14.51790 24.28593 
1 1 1   22    3    2 o  268.443   12.120  906.341   81.250  826.143  116.580  982.089  113.299  254.438   18.474  278.138   16.385 -23.70093 24.69323 
1 1 1   22    3    3 o  239.227   11.959  719.692   71.445  605.212  102.511  827.824   99.627  217.399   19.075  255.452   15.694 -38.05247 24.70150 
1 1 1   22    3    4 o  352.309   15.452  1568.52  135.948  1491.53  165.296  1729.46  238.993  341.846   19.444  364.932   26.404 -23.08655 32.79050 
1 1 1   22    3    5 o  304.195   16.787  1175.48  127.024  975.449  170.127  1427.47  190.949  274.061   25.139  332.854   23.116 -58.79272 34.15124 
1 1 1   22    3    6 o  326.468   17.869  1356.74  145.128  1271.36  197.594  1456.74  213.852  312.901   25.510  334.936   25.766 -22.03494 36.25810 
1 1 1   22    3    7 o  283.213   16.771  1019.87  118.079  951.916  158.528  1104.55  176.969  271.171   23.647  291.870   24.507 -20.69864 34.05579 
1 1 1   22    3    8 o  117.393   18.385  179.198   52.127  147.482   62.710  250.109   93.769  104.986   24.386  136.241   28.478 -31.25458 37.49238 
1 1 1   22    3    9 o   99.382   20.789  130.788   49.936  122.032   59.317  152.092   92.527   95.464   24.695  106.488   32.120 -11.02476 40.51583 
1 1 1   22    3   10 o  165.196   15.079  348.017   61.518  328.430   73.572  393.539  112.158  159.500   18.835  172.103   26.984 -12.60313 32.90742 
1 1 1   22    3   11 o  152.124   12.110  293.339   45.622  284.535   68.945  300.197   60.850  148.177   19.075  153.024   16.169 -4.846802 25.00607 
1 1 1   22    3   12 f   68.354   17.811   61.721   30.709   45.882   49.851   71.408   38.985   65.039   23.679   73.530   20.475 -8.490631 31.30403 
1 1 1   22    3   13 o  171.706   11.606  373.204   49.472  411.420   75.440  344.368   65.531  178.956   17.089  163.827   16.232 15.12987 23.56911 
1 1 1   22    3   14 o  271.691   11.929  931.489   80.934  921.560  119.428  939.922  110.062  267.900   17.956  271.211   16.327 -3.311066 24.26891 
1 1 1   22    3   15 o  148.014   11.852  278.382   43.439  233.115   67.555  310.293   56.720  132.804   21.074  155.603   14.774 -22.79887 25.73701 
1 1 1   22    3   16 o  203.430   11.342  524.200   57.388  539.179   87.736  513.000   75.869  204.406   17.352  200.074   15.301 4.332947 23.13511 
1 1 1   22    3   17 o   93.081   15.045  113.181   33.777  108.552   54.967  115.990   42.815   89.198   24.105   93.183   19.043 -3.984840 30.71900 
1 1 1   22    3   18 o   61.916   17.862   50.689   29.145   78.762   49.748   36.019   35.962   76.794   23.631   56.276   20.163 20.51837 31.06398 
1 1 1   22    3   19 o  378.808   13.580  1831.08  128.459  1785.53  188.184  1870.83  175.786  368.521   20.530  379.375   18.555 -10.85382 27.67293 
1 1 1   22    3   20 o  116.857   12.787  176.111   36.705  119.268   59.013  211.976   46.875   92.368   24.982  127.619   14.995 -35.25151 29.13662 
1 1 1   22    3   21 o  157.908   11.707  319.179   45.836  282.628   73.963  341.969   58.403  144.624   21.101  162.418   14.554 -17.79404 25.63364 
1 1 1   22    3   22 o   87.551   15.729  102.140   33.125  106.122   54.517   99.809   41.706   86.776   24.230   85.183   19.956 1.592957 31.39028 
1 1 1   22    3   23 o  125.235   12.425  202.829   38.344  152.774   63.815  231.111   47.968  103.347   25.000  132.882   14.702 -29.53511 29.00207 
1 1 1   22    3   24 o   57.193   19.704   41.163   34.107 -11.2902  162.270   43.587   34.886   80.215   36.583   58.469   19.934 21.74608 41.66121 
1 1 1   22    3   25 o  141.252   19.793  272.293   67.900  315.481  177.877  264.927   73.463  130.151   44.989  137.931   22.072 -7.780060 50.11152 
1 1 1   22    3   26 o  114.886   16.447  177.218   45.839  126.389   64.885  227.862   64.768   92.194   26.667  127.948   21.000 -35.75361 33.94311 
1 1 1   22    3   27 o  106.707   14.183  151.092   36.856  126.508   60.330  165.730   46.553   92.183   25.397  110.240   17.495 -18.05707 30.83912 
1 1 1   22    3   28 o  106.227   14.552  150.888   37.586  173.434   60.594  136.787   47.919  109.120   22.964   98.186   20.217 10.93369 30.59530 
1 1 1   22    3   29 o  149.986   12.609  295.521   46.786  238.583   72.522  336.113   61.233  127.074   23.727  157.910   15.738 -30.83672 28.47165 
1 1 1   22    4    0 o   87.897   14.348   99.893   30.405  126.754   47.468   81.204   39.594   98.079   20.058   78.393   20.123 19.68519 28.41228 
1 1 1   22    4    1 o  185.381   11.553  433.563   53.216  385.363   76.582  478.571   74.003  173.424   17.943  194.055   15.398 -20.63057 23.64400 
1 1 1   22    4    2 o  293.217   17.809  1094.18  129.781  1194.47  175.568  973.371  192.701  304.418   23.272  272.349   28.769 32.06888 37.00328 
1 1 1   22    4    3 o  338.220   18.906  1458.04  159.037  1544.25  217.569  1359.11  233.055  345.318   25.409  321.942   29.310 23.37646 38.79022 
1 1 1   22    4    4 o  272.288   16.489  941.649  111.587  823.125  146.202  1107.03  172.702  252.288   23.476  292.727   23.833 -40.43810 33.45300 
1 1 1   22    4    5 o  218.048   15.610  603.938   84.436  514.731  107.349  748.666  136.734  199.514   21.907  240.637   23.036 -41.12318 31.78938 
1 1 1   22    4    6 o  116.605   17.890  176.340   50.430  127.269   59.620  299.743   94.546   97.599   24.499  150.373   26.126 -52.77396 35.81603 
1 1 1   22    4    7 o  177.753   15.799  402.680   69.397  346.867   86.939  500.691  115.208  163.307   21.868  195.978   24.045 -32.67145 32.50201 
1 1 1   22    4    8 o  182.000   15.556  421.866   70.020  349.304   88.308  544.729  114.910  163.756   22.165  204.870   22.850 -41.11412 31.83406 
1 1 1   22    4    9 o  312.981   17.179  1246.48  133.756  1091.84  180.190  1436.26  199.619  289.738   25.154  333.064   24.165 -43.32581 34.88087 
1 1 1   22    4   10 o  111.925   19.181  163.890   51.681  118.472   61.169  277.187   96.611   94.093   25.428  143.651   27.938 -49.55833 37.77726 
1 1 1   22    4   11 o  423.307   20.820  2294.82  220.084  2136.97  304.830  2466.69  318.085  401.720   30.617  432.506   29.630 -30.78622 42.60669 
1 1 1   22    4   12 o  407.208   20.569  2129.89  208.484  2031.84  288.743  2236.68  301.344  391.815   29.732  411.332   29.534 -19.51663 41.90775 
1 1 1   22    4   13 o  322.114   18.232  1327.88  146.050  1371.49  201.142  1279.23  212.409  323.924   25.061  311.303   27.610 12.62119 37.28785 
1 1 1   22    4   14 o  204.683   15.671  535.140   79.492  447.048  103.987  659.002  123.303  184.504   23.074  224.844   22.253 -40.33998 32.05595 
1 1 1   22    4   15 o  240.061   15.936  736.620   94.990  645.909  126.721  852.962  143.512  221.838   23.219  255.454   22.735 -33.61632 32.49596 
1 1 1   22    4   16 o  150.438   11.887  287.634   44.291  264.551   68.672  304.077   57.957  141.983   19.916  153.845   15.288 -11.86208 25.10754 
1 1 1   22    4   17 o   58.716   17.927   44.596   28.695   16.081   47.778   60.684   35.888   54.174   22.181   67.810   19.896 -13.63520 29.79657 
1 1 1   22    4   18 o  212.530   11.359  572.877   60.065  537.456   91.460  599.740   79.650  203.373   18.201  216.302   14.836 -12.92946 23.48167 
1 1 1   22    4   19 o  359.674   13.355  1647.32  119.955  1543.59  175.956  1737.40  163.963  343.034   20.637  366.536   17.913 -23.50195 27.32696 
1 1 1   22    4   20 o  111.967   13.162  161.913   36.100  126.759   58.533  183.492   45.860   95.526   24.438  118.437   15.908 -22.91166 29.15980 
1 1 1   22    4   21 f   54.012   19.476   33.258   33.605   0.0000   0.0000   33.258   33.605  ?   ?    54.012   19.476 0.000000 19.47571 
1 1 1   22    4   22 o   84.445   24.294   99.683   53.981   99.683   53.981   0.0000   0.0000   84.445   24.294  ?   ?  0.000000 24.29382 
1 1 1   22    4   23 o  231.688   11.207  683.953   64.839  703.954  101.720  670.264   84.152  230.997   17.770  227.174   14.917 3.822372 23.20106 
1 1 1   22    4   24 o  134.881   12.118  234.722   40.382  214.166   66.560  246.696   50.799  124.235   22.273  137.127   15.084 -12.89243 26.89988 
1 1 1   22    4   25 o  113.828   12.997  168.838   36.281  118.251   60.968  196.575   45.145   90.331   25.766  122.070   15.134 -31.73911 29.88157 
1 1 1   22    4   26 o  104.726   13.687  144.227   34.938   98.513   59.214  168.640   43.273   82.633   25.840  112.464   15.848 -29.83081 30.31277 
1 1 1   22    4   27 o   64.751   22.905   54.645   46.267   73.736  176.424   53.235   47.945   89.609   39.713   64.524   23.263 25.08490 46.02488 
1 1 1   22    4   28 o  121.852   22.273  211.924   65.275  112.078  192.665  224.871   69.378   93.822   41.544  125.055   23.066 -31.23332 47.51784 
1 1 1   22    4   29 o  199.631   11.915  518.142   59.130  430.589   92.204  579.300   77.062  174.246   21.657  208.859   14.873 -34.61287 26.27230 
1 1 1   22    5    0 o  120.401   12.376  184.250   36.681  157.102   54.107  207.338   49.897  109.342   20.571  127.081   16.083 -17.73879 26.11197 
1 1 1   22    5    1 o   61.366   21.406   43.231   40.313   36.955   46.171   63.361   82.693   60.901   22.681   79.963   30.235 -19.06208 37.79683 
1 1 1   22    5    2 o  332.986   17.824  1410.08  147.676  1265.99  199.439  1584.97  219.724  312.344   25.801  349.937   25.315 -37.59314 36.14585 
1 1 1   22    5    3 o  219.193   16.216  610.935   88.132  606.484  113.743  617.623  139.414  216.995   21.264  217.313   26.220 -0.3181305 33.75864 
1 1 1   22    5    4 o  124.680   18.162  201.211   54.887  249.395   66.059   93.780   98.638  138.709   19.618   91.391   33.303 47.31797 38.65216 
1 1 1   22    5    5 o  315.971   14.130  1259.14  111.494  1119.35  187.643  1335.43  138.618  293.472   25.869  324.195   17.184 -30.72287 31.05621 
1 1 1   22    5    6 o  316.100   12.826  1258.07  101.239  1191.87  145.483  1320.23  140.972  305.540   19.164  322.179   17.589 -16.63843 26.01222 
1 1 1   22    5    7 o  115.265   12.791  169.294   36.195  157.703   54.348  178.533   48.522  109.493   20.634  117.536   17.028 -8.042267 26.75220 
1 1 1   22    5    8 o  315.373   12.259  1251.70   96.542  1205.60  138.687  1295.05  134.473  307.569   18.137  319.223   16.930 -11.65430 24.81061 
1 1 1   22    5    9 o  356.606   12.938  1602.17  115.214  1541.59  165.584  1659.03  160.415  347.450   19.158  361.444   17.773 -13.99359 26.13246 
1 1 1   22    5   10 o  106.358   13.201  144.729   34.307  122.931   52.396  161.087   45.391   96.061   22.275  111.525   16.821 -15.46349 27.91318 
1 1 1   22    5   11 o  157.097   11.360  312.021   44.266  286.539   67.149  331.605   58.869  148.968   18.445  161.303   14.779 -12.33525 23.63581 
1 1 1   22    5   12 o  275.212   11.960  953.871   82.193  803.774  119.224  1089.82  113.466  250.258   19.225  292.908   15.569 -42.65010 24.73790 
1 1 1   22    5   13 o  371.851   13.583  1746.74  126.125  1673.60  182.019  1814.30  174.928  360.895   20.279  377.073   18.577 -16.17819 27.50201 
1 1 1   22    5   14 o  315.545   13.153  1257.79  103.644  1083.29  150.640  1414.65  142.823  289.575   20.974  332.843   17.242 -43.26740 27.15154 
1 1 1   22    5   15 o   94.407   21.178  119.196   48.699  135.476   59.937   87.569   83.539  100.124   24.233   85.816   30.733 14.30829 39.13742 
1 1 1   22    5   16 o  163.380   16.133  343.258   64.962  298.040   83.806  411.326  102.824  149.820   23.146  176.126   24.004 -26.30591 33.34563 
1 1 1   22    5   17 o   63.101   22.053   47.049   42.798   30.945   52.864   77.679   72.908   60.751   23.853   80.453   28.721 -19.70246 37.33472 
1 1 1   22    5   18 o  231.680   16.078  689.694   92.441  678.043  125.382  703.569  136.831  226.720   22.441  230.016   24.184 -3.295822 32.99166 
1 1 1   22    5   19 o   86.204   21.214  100.807   45.356   87.688   58.225  121.053   72.332   81.080   25.661   93.722   28.428 -12.64217 38.29696 
1 1 1   22    5   20 o  132.684   12.226  225.407   40.054  183.786   64.259  251.854   51.223  116.088   22.980  139.501   14.936 -23.41338 27.40727 
1 1 1   22    5   21 o  129.640   12.308  215.724   39.369  212.012   64.087  217.973   49.893  125.289   21.242  129.211   15.792 -3.921928 26.46907 
1 1 1   22    5   22 o   57.683   17.677   43.709   27.870  -9.4068   48.246   70.310   34.143   47.191   20.848   71.947   18.797 -24.75633 28.07052 
1 1 1   22    5   23 o  282.057   11.801  1014.71   83.121  964.768  127.043  1052.10  109.912  270.017   18.961  284.653   15.521 -14.63599 24.50383 
1 1 1   22    5   24 o   52.351   17.532   34.462   26.982   41.555   47.230   31.025   32.874   61.047   22.900   52.502   19.212 8.545731 29.89130 
1 1 1   22    5   25 o  109.751   13.153  157.035   35.329  117.679   59.593  178.362   43.870   90.456   25.360  116.156   15.512 -25.69959 29.72770 
1 1 1   22    5   26 o  111.076   13.154  161.135   35.777  103.006   60.691  192.093   44.291   84.553   26.115  120.642   15.027 -36.08906 30.12948 
1 1 1   22    5   27 o   46.725   17.327   23.837   26.890   6.6032   46.463   32.516   32.973   49.526   21.171   52.796   19.253 -3.269981 28.61630 
1 1 1   22    5   28 o  124.180   13.040  201.901   39.833  145.481   65.722  234.660   50.080   98.653   26.226  132.820   15.384 -34.16657 30.40530 
1 1 1   22    5   29 o  109.998   17.866  166.255   47.391  315.178  202.463  157.623   48.745  120.382   46.845  106.412   19.043 13.96994 50.56809 
1 1 1   22    5   30 f   46.081   20.027   2.3196   42.920  230.965  205.244  -8.1366   43.891  104.982   44.677   44.003   19.636 60.97900 48.80209 
1 1 1   22    6    0 o   69.529   21.433   61.808   40.903   56.898   46.141   79.823   88.382   68.462   22.927   85.641   31.476 -17.17932 38.94107 
1 1 1   22    6    1 o  159.959   16.539  327.134   65.110  354.374   80.956  277.240  109.564  165.708   19.966  142.958   31.537 22.74994 37.32579 
1 1 1   22    6    2 o  362.802   19.397  1678.78  175.093  1703.57  239.983  1650.57  256.033  362.099   26.729  355.107   29.129 6.991394 39.53410 
1 1 1   22    6    3 o  424.394   16.505  2279.47  174.919  1960.70  297.051  2448.67  216.419  385.996   31.081  438.589   19.760 -52.59247 36.83038 
1 1 1   22    6    4 o  144.526   11.572  264.204   41.413  244.119   61.157  281.212   56.280  137.540   18.257  148.423   15.409 -10.88283 23.89074 
1 1 1   22    6    5 o  197.228   10.998  490.146   53.949  446.064   78.314  529.962   74.427  186.923   16.962  204.402   14.679 -17.47856 22.43174 
1 1 1   22    6    6 o  342.742   13.203  1479.78  113.000  1352.74  161.136  1602.71  158.508  325.301   19.932  354.944   17.941 -29.64270 26.81755 
1 1 1   22    6    7 o  184.008   11.543  427.301   52.771  348.480   76.678  498.231   72.738  164.503   19.016  198.106   14.810 -33.60324 24.10313 
1 1 1   22    6    8 o  136.555   11.510  236.073   38.884  217.577   57.674  251.486   52.649  129.662   18.323  140.267   15.278 -10.60564 23.85662 
1 1 1   22    6    9 o  148.368   11.627  278.499   42.734  262.059   63.576  292.048   57.717  142.503   18.288  151.209   15.505 -8.705795 23.97575 
1 1 1   22    6   10 o  273.735   12.113  943.113   82.803  892.522  119.554  989.755  114.794  264.371   18.220  278.991   16.551 -14.62012 24.61541 
1 1 1   22    6   11 o  213.008   11.762  572.654   62.322  497.212   90.795  639.865   85.700  196.780   18.702  224.371   15.388 -27.59114 24.21911 
1 1 1   22    6   12 o  192.410   11.317  467.314   54.135  388.182   79.719  535.030   73.745  173.606   18.683  205.247   14.481 -31.64127 23.63779 
1 1 1   22    6   13 o  229.505   11.555  664.730   66.014  597.739   96.875  722.803   90.197  215.899   18.137  238.434   15.228 -22.53516 23.68185 
1 1 1   22    6   14 o  287.307   12.448  1041.12   89.310  909.494  129.690  1159.85  123.170  265.868   19.674  301.709   16.410 -35.84048 25.61895 
1 1 1   22    6   15 o  152.104   11.497  293.160   43.347  307.730   66.974  282.657   56.863  154.364   17.694  148.430   15.573 5.934280 23.57123 
1 1 1   22    6   16 o  126.646   12.425  204.485   38.788  175.609   61.171  223.902   50.162  114.709   22.157  131.849   15.533 -17.14005 27.05944 
1 1 1   22    6   17 o  226.577   11.811  650.086   66.593  541.484   99.525  738.125   89.609  204.112   19.774  240.471   14.997 -36.35870 24.81773 
1 1 1   22    6   18 o  132.411   12.360  223.778   40.395  201.682   63.955  238.444   52.104  122.928   21.624  135.861   15.643 -12.93297 26.68881 
1 1 1   22    6   19 o  157.456   12.656  316.404   49.341  228.727   83.258  363.866   61.257  128.813   26.758  168.306   14.723 -39.49301 30.54085 
1 1 1   22    6   20 o  113.189   28.333  180.276   79.897   0.0000   0.0000  180.276   79.897  ?   ?   113.189   28.333 0.000000 28.33280 
1 1 1   22    6   21 o   88.859   25.176  109.339   58.411  109.339   58.411   0.0000   0.0000   88.859   25.176  ?   ?  0.000000 25.17571 
1 1 1   22    6   22 o  111.519   17.731  165.254   47.726  139.899   63.076  199.210   72.994   99.811   25.279  119.438   25.263 -19.62615 35.73846 
1 1 1   22    6   23 o  190.475   11.663  463.671   55.208  331.772   86.499  554.334   71.714  155.842   22.910  207.340   13.932 -51.49805 26.81373 
1 1 1   22    6   24 o  206.330   11.369  544.062   58.354  473.015   92.356  591.274   75.287  187.878   19.992  213.780   14.183 -25.90115 24.51223 
1 1 1   22    6   25 o   65.006   17.033   57.384   27.982   69.292   48.782   51.545   34.160   71.654   23.559   62.228   19.651 9.426510 30.67877 
1 1 1   22    6   26 o  195.554   11.487  490.593   55.846  387.515   89.390  556.581   71.522  167.952   21.830  207.067   13.913 -39.11546 25.88618 
1 1 1   22    6   27 o  128.662   12.388  214.728   39.311  180.240   65.618  234.036   49.097  112.172   24.141  133.242   15.018 -21.07053 28.43074 
1 1 1   22    6   28 o  122.461   12.616  195.473   38.028  224.374   63.750  179.508   47.380  127.056   20.813  115.398   16.947 11.65869 26.84004 
1 1 1   22    6   29 o  128.379   12.758  215.522   40.359  121.176   65.390  273.582   51.296   89.627   26.994  143.893   14.472 -54.26554 30.62901 
1 1 1   22    6   30 o  131.589   12.824  227.301   41.605  177.648   66.319  259.526   53.426  109.130   24.887  139.090   15.654 -29.96065 29.40103 
1 1 1   22    7    0 o  114.376   18.322  170.041   50.564  177.931   59.224  148.825   97.117  116.371   21.159  106.121   33.077 10.25061 39.26627 
1 1 1   22    7    1 o  333.667   18.054  1416.84  149.868  1314.60  201.897  1542.32  223.659  318.331   25.615  344.665   26.182 -26.33371 36.62794 
1 1 1   22    7    2 o  537.704   19.684  3680.42  264.304  3199.68  452.037  3930.14  325.797  488.229   37.360  553.350   23.577 -65.12119 44.17775 
1 1 1   22    7    3 o  175.424   11.437  388.376   49.827  355.073   72.124  418.783   68.917  166.453   17.619  181.441   15.354 -14.98802 23.37096 
1 1 1   22    7    4 o  238.842   11.213  716.789   66.880  667.974   96.196  762.461   93.047  229.044   16.939  245.217   15.271 -16.17336 22.80599 
1 1 1   22    7    5 o  235.671   11.648  698.250   68.552  664.209   98.740  729.927   95.249  228.250   17.456  239.719   16.003 -11.46910 23.68133 
1 1 1   22    7    6 o  495.730   15.372  3105.43  190.299  3095.90  270.894  3114.73  267.388  491.874   22.054  493.561   21.694 -1.687317 30.93619 
1 1 1   22    7    7 o  257.882   11.560  836.079   74.442  794.780  107.431  874.224  103.247  249.798   17.329  262.457   15.827 -12.65962 23.46934 
1 1 1   22    7    8 o  154.277   11.308  300.741   43.262  218.789   63.170  373.132   59.370  129.566   20.181  171.443   13.989 -41.87715 24.55578 
1 1 1   22    7    9 f  167.806   11.616  355.765   48.375  308.952   71.126  396.058   65.987  154.787   18.786  176.407   15.126 -21.62019 24.11848 
1 1 1   22    7   10 o  318.998   11.921  1280.39   94.960  1266.93  136.742  1292.93  131.973  315.488   17.424  318.988   16.625 -3.500702 24.08329 
1 1 1   22    7   11 o  336.705   13.203  1429.36  111.017  1254.84  159.224  1594.46  154.870  312.735   20.502  354.325   17.503 -41.58990 26.95698 
1 1 1   22    7   12 o  200.522   11.428  507.457   56.987  346.024   82.864  652.325   78.497  163.221   20.803  226.885   13.922 -63.66402 25.03157 
1 1 1   22    7   13 o  131.470   12.165  219.554   39.486  218.820   60.228  220.107   52.291  129.643   19.183  130.744   16.375 -1.101776 25.22161 
1 1 1   22    7   14 o  272.636   12.405  937.212   84.454  769.335  121.957  1091.89  117.064  244.302   20.171  292.892   16.067 -48.59055 25.78792 
1 1 1   22    7   15 o  143.883   12.192  262.911   43.394  187.082   65.276  322.956   58.087  118.482   22.891  158.991   14.800 -40.50851 27.25890 
1 1 1   22    7   16 o  257.073   12.036  833.920   77.265  748.503  113.777  907.026  105.259  240.957   19.064  266.622   15.881 -25.66429 24.81267 
1 1 1   22    7   17 o  276.502   11.954  965.453   82.541  885.557  121.863  1033.18  112.196  262.062   18.745  284.408   15.861 -22.34583 24.55502 
1 1 1   22    7   18 o   76.104   16.705   76.820   30.877   46.664   51.658   93.583   38.514   65.452   24.063   83.715   18.874 -18.26273 30.58191 
1 1 1   22    7   19 o   97.981   14.307  124.601   33.974   78.189   55.303  152.734   43.057   77.445   25.062  108.080   16.474 -30.63556 29.99195 
1 1 1   22    7   20 o   95.164   14.788  118.185   34.001   67.583   55.228  149.072   43.147   73.315   25.081  106.536   16.773 -33.22115 30.17240 
1 1 1   22    7   21 o   69.224   16.973   64.187   29.114   51.977   49.902   70.487   35.848   66.333   23.753   72.320   19.434 -5.987015 30.68998 
1 1 1   22    7   22 o  139.365   11.771  248.454   40.583  224.134   65.644  263.500   51.633  128.967   21.114  142.622   14.708 -13.65468 25.73185 
1 1 1   22    7   23 o   56.034   20.536   35.052   37.583   53.039   48.884   9.0498   58.774   66.036   23.524   56.255   23.924 9.780800 33.55187 
1 1 1   22    7   24 o  178.511   15.254  414.692   67.344  336.191   92.316  503.990   98.460  155.691   24.558  193.797   20.664 -38.10635 32.09533 
1 1 1   22    7   25 o   82.287   19.886   93.357   40.408  102.036   54.535   82.792   60.172   85.002   24.408   77.967   26.182 7.035538 35.79417 
1 1 1   22    7   26 o  178.916   11.596  410.756   51.528  351.874   83.570  446.872   65.451  160.458   21.389  185.401   14.246 -24.94365 25.69885 
1 1 1   22    7   27 o   97.859   13.933  126.132   33.087   82.175   56.904  148.583   40.668   76.886   25.452  105.582   15.919 -28.69558 30.02066 
1 1 1   22    7   28 o   43.840   16.860   18.406   25.990 -21.0663   45.931   36.996   31.521   42.879   19.519   54.440   18.932 -11.56098 27.19218 
1 1 1   22    7   29 o   76.506   16.589   80.183   30.781   70.456   52.275   85.345   38.083   71.431   24.401   77.949   19.588 -6.518280 31.29077 
1 1 1   22    7   30 o  111.991   13.567  165.717   37.168   63.348   60.429  228.012   47.140   69.588   25.942  131.028   14.658 -61.43986 29.79666 
1 1 1   22    7   31 o   47.833   17.775   26.048   28.324   41.767   45.432   16.054   36.227   59.064   22.392   47.128   19.307 11.93520 29.56639 
1 1 1   22    8    0 o  227.903   15.815  659.874   89.446  600.767  114.144  753.920  143.981  215.824   21.464  241.007   24.253 -25.18301 32.38665 
1 1 1   22    8    1 o  424.211   20.569  2295.53  217.896  2105.23  298.719  2511.93  318.539  400.475   30.090  438.174   29.280 -37.69934 41.98493 
1 1 1   22    8    2 o  319.142   11.177  1279.81   89.072  1277.30  127.102  1282.24  124.863  317.361   16.090  318.465   15.701 -1.103302 22.48153 
1 1 1   22    8    3 o  312.221   12.054  1226.17   93.985  1208.45  134.071  1243.28  131.789  308.237   17.490  312.840   16.933 -4.602661 24.34378 
1 1 1   22    8    4 o  162.463   11.014  333.092   44.421  292.540   64.260  370.204   61.474  150.964   17.362  170.669   14.563 -19.70485 22.66115 
1 1 1   22    8    5 o  196.353   10.613  485.552   51.844  470.953   75.159  498.802   71.606  192.369   15.785  198.283   14.563 -5.913956 21.47678 
1 1 1   22    8    6 o  356.677   12.660  1601.54  112.759  1539.53  160.856  1661.44  158.110  347.594   18.599  361.944   17.493 -14.35062 25.53301 
1 1 1   22    8    7 o  131.904   11.828  220.529   38.546  164.065   56.634  269.259   52.612  111.625   21.090  145.321   14.700 -33.69662 25.70762 
1 1 1   22    8    8 o  124.765   11.543  197.352   35.556  182.441   53.678  209.009   47.462  118.416   18.779  127.748   15.175 -9.331123 24.14389 
1 1 1   22    8    9 o  262.777   11.159  867.889   73.223  775.890  105.490  953.430  101.719  246.767   17.227  274.325   14.905 -27.55852 22.77962 
1 1 1   22    8   10 o  268.597   11.334  907.076   76.019  865.137  109.824  945.653  105.330  260.672   16.964  273.001   15.514 -12.32941 22.98833 
1 1 1   22    8   11 o  199.270   11.371  500.958   56.350  469.681   82.379  528.462   77.250  191.591   17.408  203.855   15.286 -12.26465 23.16718 
1 1 1   22    8   12 f  261.092   11.401  857.523   74.337  808.615  108.423  900.909  102.117  251.744   17.353  266.371   15.418 -14.62640 23.21269 
1 1 1   22    8   13 o  111.898   13.118  160.039   35.960  119.892   54.577  190.840   47.804   94.646   23.258  121.675   16.131 -27.02905 28.30437 
1 1 1   22    8   14 o  151.270   11.612  289.780   43.528  281.586   65.928  296.111   57.956  147.581   18.280  152.109   15.473 -4.527969 23.94991 
1 1 1   22    8   15 o  114.751   13.193  168.423   37.118  111.427   57.167  209.964   48.805   91.092   24.568  127.739   15.626 -36.64700 29.11598 
1 1 1   22    8   16 o  194.215   11.886  477.437   57.370  439.478   85.502  508.521   77.372  184.405   18.832  199.489   15.657 -15.08438 24.49059 
1 1 1   22    8   17 o  224.679   11.829  638.817   66.135  538.914   98.294  721.450   89.396  203.916   19.542  237.827   15.131 -33.91052 24.71550 
1 1 1   22    8   18 o  122.272   12.790  191.203   38.475  142.447   60.492  224.328   49.861  102.426   24.060  131.884   15.431 -29.45811 28.58312 
1 1 1   22    8   19 o  298.891   17.301  1149.52  128.576   0.0000   0.0000  1149.52  128.576  ?   ?   298.891   17.301 0.000000 17.30050 
1 1 1   22    8   20 o  113.905   21.555  174.411   59.067  174.411   59.067   0.0000   0.0000  113.905   21.555  ?   ?  0.000000 21.55543 
1 1 1   22    8   21 o   96.137   13.993  120.185   32.607  162.079   54.656   97.035   40.630  109.781   20.696   84.784   19.585 24.99654 28.49382 
1 1 1   22    8   22 o  213.845   11.628  582.044   61.863  522.690   95.027  625.701   81.499  199.289   19.338  220.425   14.894 -21.13612 24.40858 
1 1 1   22    8   23 o  165.997   11.624  351.927   47.880  284.856   76.302  395.491   61.494  145.220   21.707  175.088   14.186 -29.86861 25.93140 
1 1 1   22    8   24 o  142.021   11.890  258.758   41.779  186.136   67.555  303.737   53.166  115.437   24.208  153.169   14.057 -37.73218 27.99335 
1 1 1   22    8   25 f  133.508   11.675  229.002   38.532  239.677   64.205  222.993   48.172  133.223   19.910  130.533   15.054 2.689133 24.96065 
1 1 1   22    8   26 o  183.929   14.974  441.115   68.179  345.891   93.744  548.043   99.338  157.138   24.705  201.962   19.958 -44.82443 31.75936 
1 1 1   22    8   27 o   45.950   18.860   12.480   34.646   3.3717   46.673   23.659   51.707   49.067   21.103   56.645   23.120 -7.578014 31.30320 
1 1 1   22    8   28 o   66.695   20.560   60.905   37.640   60.886   51.821   60.926   54.762   68.424   24.237   68.934   24.861 -0.5100479 34.72020 
1 1 1   22    8   29 o   64.333   17.466   56.906   28.782   17.418   50.096   76.363   35.165   53.854   22.443   74.040   18.942 -20.18592 29.36821 
1 1 1   22    8   30 o   88.312   15.252  105.109   32.419   54.615   54.424  132.880   40.361   66.003   24.616   98.752   16.979 -32.74972 29.90386 
1 1 1   22    8   31 o   84.300   16.235   97.372   32.937   70.242   53.646  113.786   41.727   70.773   24.693   89.891   19.174 -19.11733 31.26281 
1 1 1   22    9    0 o  547.940   23.114  3853.92  316.271  3006.21  435.151  4803.16  460.472  472.692   37.164  604.891   30.584 -132.1990 48.13052 
1 1 1   22    9    1 o  267.556   16.019  908.886  106.538  769.480  137.397  1119.09  168.714  243.982   22.816  294.467   23.130 -50.48526 32.48949 
1 1 1   22    9    2 o  195.784   10.779  482.922   52.496  439.750   75.363  523.615   73.167  185.678   16.423  203.174   14.517 -17.49599 21.91895 
1 1 1   22    9    3 o  383.428   12.238  1849.88  117.182  1915.77  166.631  1785.41  164.823  388.752   17.165  375.151   17.594 13.60153 24.57979 
1 1 1   22    9    4 o  106.192   12.307  143.760   32.032  161.255   47.861  129.566   43.111  111.417   17.801   99.576   18.000 11.84081 25.31558 
1 1 1   22    9    5 o  180.819   10.973  412.264   49.313  372.597   70.887  449.461   68.645  170.703   16.849  188.118   14.730 -17.41541 22.38027 
1 1 1   22    9    6 o  288.127   11.884  1044.16   85.507  1051.43  122.438  1037.24  119.467  287.514   17.131  285.655   16.822 1.858917 24.00939 
1 1 1   22    9    7 o  332.945   12.144  1394.78  100.968  1365.10  144.265  1423.28  141.360  327.521   17.705  334.701   16.968 -7.180084 24.52308 
1 1 1   22    9    8 o  186.426   11.048  438.243   51.203  442.039   74.974  434.925   70.095  186.174   16.290  184.882   15.321 1.291794 22.36288 
1 1 1   22    9    9 o  144.098   11.761  262.879   41.953  244.819   62.001  278.132   56.977  137.605   18.513  147.477   15.713 -9.871887 24.28240 
1 1 1   22    9   10 o  111.651   12.484  158.875   34.210  127.871   51.521  183.325   45.753   98.129   21.609  119.382   15.730 -21.25311 26.72845 
1 1 1   22    9   11 o  208.703   11.574  549.560   60.084  429.084   86.790  660.445   83.264  182.528   19.335  228.163   14.692 -45.63501 24.28388 
1 1 1   22    9   12 o   89.533   14.400  103.738   31.103  116.139   49.155   95.457   40.167   93.419   21.515   84.892   19.375 8.527283 28.95300 
1 1 1   22    9   13 o  294.760   12.078  1094.25   88.904  967.417  128.199  1211.76  123.396  274.875   18.789  308.766   16.059 -33.89084 24.71706 
1 1 1   22    9   14 o  129.919   12.343  214.608   39.563  138.382   59.925  273.502   52.674  101.523   24.013  146.335   14.610 -44.81162 28.10846 
1 1 1   22    9   15 o  202.742   11.500  519.309   57.983  345.910   84.871  671.089   79.404  162.746   21.402  229.977   13.892 -67.23065 25.51524 
1 1 1   22    9   16 o  215.295   11.665  585.932   62.482  545.737   92.163  620.118   84.996  205.973   18.102  220.479   15.537 -14.50597 23.85540 
1 1 1   22    9   17 o  235.847   11.935  703.734   70.064  619.645  103.620  774.561   95.098  218.993   19.140  246.366   15.537 -27.37321 24.65263 
1 1 1   22    9   18 f  125.097   12.554  199.819   38.688  167.991   60.802  221.472   50.150  111.874   22.543  131.005   15.639 -19.13025 27.43657 
1 1 1   22    9   19 o  199.107   11.660  502.639   57.723  389.717   87.272  590.454   76.961  172.322   20.695  215.021   14.417 -42.69937 25.22121 
1 1 1   22    9   20 o  195.808   11.151  486.036   54.297  489.701   83.259  483.323   71.623  194.512   17.322  194.125   14.888 0.3864899 22.84103 
1 1 1   22    9   21 o  202.170   11.095  518.557   55.802  462.692   85.391  560.198   73.722  188.322   18.392  209.118   14.202 -20.79597 23.23712 
1 1 1   22    9   22 o  189.493   11.524  456.965   54.274  403.347   84.270  494.969   70.948  174.851   19.639  196.152   14.589 -21.30121 24.46497 
1 1 1   22    9   23 f   94.081   13.921  115.540   31.719   71.207   53.371  139.750   39.440   73.790   24.658  103.054   15.832 -29.26361 29.30356 
1 1 1   22    9   24 o  130.423   12.025  218.472   38.724  172.045   63.010  246.649   49.088  111.365   23.401  137.818   14.480 -26.45373 27.51870 
1 1 1   22    9   25 o   64.444   16.792   56.079   27.295   65.185   48.529   51.866   33.011   70.324   23.513   62.443   19.255 7.881275 30.39156 
1 1 1   22    9   26 o   95.215   13.706  118.864   31.650   66.658   54.029  146.138   39.052   71.463   24.789  105.190   15.316 -33.72714 29.13928 
1 1 1   22    9   27 o   65.960   16.507   59.070   27.124   69.928   48.742   54.199   32.645   71.804   23.546   63.339   19.073 8.465355 30.30157 
1 1 1   22    9   28 o  107.039   12.997  149.566   34.029  121.989   58.354  163.776   41.889   91.940   24.832  111.097   15.523 -19.15740 29.28452 
1 1 1   22    9   29 o  107.731   17.734  157.473   46.048  108.774   62.689  214.538   67.861   86.233   26.526  123.179   22.904 -36.94552 35.04593 
1 1 1   22    9   30 o   53.810   20.699   30.424   39.175   32.537   52.443   27.758   58.925   58.795   23.539   59.499   24.528 -0.7039452 33.99593 
1 1 1   22    9   31 o   81.053   21.079   94.243   43.066   94.742   55.741   93.503   67.832   80.185   25.070   79.835   27.771 0.3497009 37.41337 
1 1 1   22   10    0 o  137.927   16.967  244.654   57.208  244.448   66.701  245.228  111.261  137.090   20.079  133.667   33.421 3.422379 38.98895 
1 1 1   22   10    1 o  383.968   19.722  1883.66  188.460  1794.02  255.708  1990.24  278.838  370.549   27.838  389.750   28.854 -19.20096 40.09381 
1 1 1   22   10    2 o  414.223   12.958  2161.43  134.032  2222.30  190.094  2101.25  189.010  418.221   18.202  406.509   18.619 11.71265 26.03806 
1 1 1   22   10    3 o  269.510   11.172  912.908   75.188  931.180  106.880  895.006  105.792  270.847   15.872  265.471   16.033 5.375885 22.56064 
1 1 1   22   10    4 o  122.199   11.496  189.371   34.667  202.404   51.115  178.270   47.175  125.338   16.750  117.547   16.528 7.791588 23.53164 
1 1 1   22   10    5 o  115.657   11.738  169.923   33.431  188.546   50.002  154.870   44.956  120.830   17.045  109.303   17.025 11.52650 24.09086 
1 1 1   22   10    6 o  486.778   15.939  2998.31  193.755  2902.65  274.337  3093.51  273.686  475.494   23.104  491.336   22.306 -15.84164 32.11480 
1 1 1   22   10    7 o  207.767   11.038  543.969   57.061  524.109   82.221  562.421   79.254  202.809   16.374  210.425   15.184 -7.615753 22.33124 
1 1 1   22   10    8 o  179.952   10.744  408.249   48.061  405.148   70.278  410.973   65.873  178.240   15.958  179.785   14.804 -1.545303 21.76754 
1 1 1   22   10    9 o  436.065   14.452  2401.09  157.372  2390.80  223.856  2411.14  221.283  432.582   20.723  434.575   20.391 -1.993439 29.07263 
1 1 1   22   10   10 o  155.723   11.202  306.412   43.269  282.802   63.937  326.362   58.771  148.250   17.615  160.038   14.876 -11.78772 23.05639 
1 1 1   22   10   11 o  226.846   12.050  649.538   68.017  503.005   97.677  787.479   94.770  197.539   20.080  249.048   15.313 -51.50960 25.25259 
1 1 1   22   10   12 o  142.903   11.273  258.411   39.902  231.085   59.634  280.563   53.693  133.575   18.364  148.280   14.694 -14.70502 23.51895 
1 1 1   22   10   13 o  144.139   11.942  263.364   42.597  246.470   63.678  277.046   57.307  137.810   19.010  147.045   15.857 -9.234833 24.75532 
1 1 1   22   10   14 o  215.466   11.431  585.980   61.287  550.400   89.961  616.795   83.721  207.282   17.544  220.146   15.325 -12.86452 23.29481 
1 1 1   22   10   15 o  444.214   14.822  2499.23  164.421  2438.22  235.243  2557.51  229.901  435.280   21.642  446.411   20.623 -11.13159 29.89468 
1 1 1   22   10   16 o  182.186   11.507  419.860   52.084  452.600   77.728  393.181   70.166  187.869   16.744  175.151   16.227 12.71806 23.31628 
1 1 1   22   10   17 o  221.012   11.669  617.758   64.175  551.069   94.700  674.390   87.268  206.679   18.546  229.926   15.286 -23.24661 24.03371 
1 1 1   22   10   18 o   99.135   17.692  129.303   42.192   0.0000   0.0000  129.303   42.192  ?   ?    99.135   17.692 0.000000 17.69206 
1 1 1   22   10   19 o   84.933   23.228   97.412   50.683   97.412   50.683   0.0000   0.0000   84.933   23.228  ?   ?  0.000000 23.22753 
1 1 1   22   10   20 o  192.710   11.021  470.540   52.816  485.493   80.737  459.353   69.830  193.910   16.841  189.264   14.895 4.645981 22.48273 
1 1 1   22   10   21 o   99.801   13.969  129.191   33.860   97.083   54.910  148.891   43.010   84.484   24.559  106.485   16.726 -22.00098 29.71389 
1 1 1   22   10   22 o  151.932   11.751  294.449   44.238  232.526   69.476  336.675   57.372  131.398   21.948  161.714   14.356 -30.31578 26.22599 
1 1 1   22   10   23 o  120.354   12.356  186.163   36.609  151.798   59.849  206.710   46.277  104.848   23.446  126.078   14.992 -21.23049 27.82991 
1 1 1   22   10   24 o  155.455   11.395  308.716   43.929  269.173   70.407  333.922   56.212  141.556   20.516  160.753   14.147 -19.19662 24.92043 
1 1 1   22   10   25 o  121.952   12.249  191.649   36.798  154.066   60.532  213.680   46.345  104.947   23.662  127.971   14.774 -23.02343 27.89589 
1 1 1   22   10   26 o   35.393   15.064   1.3603   23.335  -0.5706   43.880   2.1217   27.554   46.927   20.322   38.507   16.378 8.420597 26.10046 
1 1 1   22   10   27 o   74.949   15.601   75.529   28.249   47.966   49.725   88.664   34.326   63.852   23.586   80.749   17.526 -16.89635 29.38458 
1 1 1   22   10   28 o  109.302   12.550  155.312   33.634  207.516   59.501  130.799   40.773  123.210   20.026   98.488   17.205 24.72221 26.40181 
1 1 1   22   10   29 o   32.647   14.439  -5.7993   23.205 -32.4883   43.887   4.5576   27.339   39.601   18.404   39.036   16.444 0.5649109 24.68049 
1 1 1   22   10   30 o  144.274   11.605  269.027   41.458  201.616   69.079  306.976   51.830  118.220   24.214  153.186   13.693 -34.96512 27.81761 
1 1 1   22   10   31 o   52.749   17.640   36.109   27.313 -45.3047   47.255   76.954   33.470   38.956   18.417   74.270   18.191 -35.31376 25.88592 
1 1 1   22   10   32 o   61.741   21.243   51.276   39.637   52.321   50.183   49.543   64.628   63.924   23.678   66.022   26.230 -2.098049 35.33616 
1 1 1   22   11    0 o   84.495   20.187   94.708   42.012   75.710   46.163  186.329  101.377   76.187   22.622  116.921   33.181 -40.73357 40.15865 
1 1 1   22   11    1 o  335.431   19.049  1437.18  158.905  1520.40  214.121  1335.15  237.082  342.182   25.236  317.901   30.228 24.28131 39.37797 
1 1 1   22   11    2 o  147.692   11.173  275.740   40.904  269.853   58.780  281.267   56.956  145.041   16.524  148.320   15.612 -3.279373 22.73254 
1 1 1   22   11    3 o  251.408   10.815  794.187   67.895  819.091   96.592  769.867   95.454  254.078   15.295  246.217   15.606 7.861267 21.85116 
1 1 1   22   11    4 o  258.600   10.629  840.075   68.642  829.254   97.539  850.692   96.615  255.647   15.350  259.034   15.000 -3.386688 21.46220 
1 1 1   22   11    5 o  138.959   11.601  244.501   39.887  220.918   57.768  265.989   55.142  130.669   18.197  144.213   15.558 -13.54427 23.94177 
1 1 1   22   11    6 o  315.126   12.223  1249.91   96.185  1221.06  136.744  1278.15  135.320  309.614   17.761  316.998   17.158 -7.384247 24.69503 
1 1 1   22   11    7 o  310.914   12.311  1216.89   95.584  1183.15  136.107  1249.72  134.264  304.673   17.969  313.413   17.221 -8.739838 24.88871 
1 1 1   22   11    8 o  145.286   10.996  266.775   39.598  279.091   58.292  256.223   53.958  147.637   16.071  141.510   15.524 6.126602 22.34423 
1 1 1   22   11    9 o   99.242   12.746  126.053   30.858   98.986   46.656  147.099   41.141   86.277   21.681  106.677   15.932 -20.40024 26.90567 
1 1 1   22   11   10 o  358.556   13.155  1620.74  117.784  1565.62  167.746  1674.34  165.421  349.996   19.267  362.366   18.340 -12.36951 26.60048 
1 1 1   22   11   11 o  204.128   11.009  525.351   55.913  478.516   81.184  567.612   77.118  193.480   16.974  211.425   14.698 -17.94574 22.45349 
1 1 1   22   11   12 o  205.097   10.734  530.167   54.784  493.409   79.640  563.186   75.480  196.609   16.370  210.626   14.438 -14.01677 21.82701 
1 1 1   22   11   13 o  141.177   11.855  252.686   41.408  204.624   61.679  292.121   55.869  124.943   20.478  151.226   14.992 -26.28254 25.37946 
1 1 1   22   11   14 o  264.958   13.168  886.068   87.124  868.925  112.208  912.094  138.254  260.821   17.326  265.873   20.994 -5.052246 27.22067 
1 1 1   22   11   15 o  462.372   22.043  2754.50  254.517  3000.05  375.445  2545.71  346.212  473.722   31.924  436.164   32.010 37.55780 45.20790 
1 1 1   22   11   16 o  156.714   16.875  316.089   64.998  210.699  132.578  349.434   74.575  123.025   38.697  164.390   18.487 -41.36501 42.88590 
1 1 1   22   11   17 o  243.892   17.584  763.431  106.373  645.524  178.808  828.016  132.338  216.169   34.267  252.539   21.181 -36.36989 40.28446 
1 1 1   22   11   18 o  302.475   17.766  1174.94  133.605  1295.89  215.282  1099.17  170.388  311.529   27.971  289.371   23.790 22.15787 36.71994 
1 1 1   22   11   19 o   77.676   19.776   80.807   38.460  128.550  124.015   75.727   40.455  101.630   37.295   75.290   20.819 26.33961 42.71265 
1 1 1   22   11   20 o  162.207   17.316  341.259   69.057  192.115  140.370  388.882   79.319  116.749   39.985  172.758   18.684 -56.00924 44.13479 
1 1 1   22   11   21 o  208.489   13.382  554.865   69.305  501.990   92.699  621.877  104.358  196.007   19.185  218.255   19.348 -22.24745 27.24702 
1 1 1   22   11   22 o  139.423   13.395  249.743   46.062  217.656   66.032  280.155   64.286  127.254   21.548  146.175   17.991 -18.92050 28.07150 
1 1 1   22   11   23 o  190.679   13.186  465.798   62.401  361.001   84.256  593.114   92.869  164.505   20.989  213.258   17.596 -48.75290 27.38852 
1 1 1   22   11   24 o  184.691   11.546  435.193   52.984  369.140   82.817  480.962   68.938  166.306   20.367  193.078   14.402 -26.77228 24.94468 
1 1 1   22   11   25 o  193.087   11.463  476.088   55.024  366.997   85.932  551.901   71.636  164.896   21.371  206.868   13.949 -41.97101 25.52047 
1 1 1   22   11   26 o   57.066   16.765   43.351   25.469   11.404   45.016   58.391   30.887   50.751   21.223   65.633   18.207 -14.88194 27.96249 
1 1 1   22   11   27 o  198.296   11.202  502.885   55.241  468.956   88.620  524.446   70.646  187.229   19.227  201.113   14.157 -13.88338 23.87710 
1 1 1   22   11   28 o   50.037   16.934   31.182   25.175  -1.3591   45.987   45.107   30.082   47.574   20.703   58.387   18.441 -10.81297 27.72541 
1 1 1   22   11   29 o   75.068   15.625   76.115   28.338   81.659   50.975   73.635   34.092   76.276   23.995   73.018   18.635 3.258171 30.38127 
1 1 1   22   11   30 o  123.131   12.231  196.965   37.109  201.183   64.181  194.847   45.483  119.413   22.344  121.129   15.383 -1.716522 27.12782 
1 1 1   22   11   31 o  126.942   12.322  209.933   38.569  168.901   65.896  231.315   47.568  107.079   25.083  132.206   14.655 -25.12709 29.05056 
1 1 1   22   11   32 o   85.263   15.552   98.760   31.893   21.583   53.864  140.425   39.577   55.779   23.261  101.773   16.109 -45.99402 28.29417 
1 1 1   22   12    0 o  105.442   12.656  142.050   32.657  107.530   46.890  174.569   45.511   89.898   21.227  116.325   16.099 -26.42699 26.64100 
1 1 1   22   12    1 o  173.800   16.623  386.402   71.265  410.900   85.131  329.027  130.282  178.522   19.409  154.439   34.636 24.08342 39.70295 
1 1 1   22   12    2 o  287.131   10.968  1036.37   78.644  1098.69  112.215  976.209  110.251  294.315   15.321  277.183   15.996 17.13217 22.14983 
1 1 1   22   12    3 o  303.971   11.858  1162.74   90.013  1136.12  127.153  1189.49  127.444  298.747   17.115  305.827   16.751 -7.080048 23.94870 
1 1 1   22   12    4 o  244.560   10.981  751.785   67.064  731.832   95.175  771.462   94.513  239.894   15.979  246.478   15.433 -6.583893 22.21509 
1 1 1   22   12    5 o  176.368   10.942  392.434   47.951  350.109   68.477  433.158   67.169  165.348   16.818  184.592   14.693 -19.24423 22.33261 
1 1 1   22   12    6 f  317.635   12.295  1270.28   97.524  1314.14  138.648  1227.33  137.204  321.310   17.344  310.336   17.778 10.97336 24.83727 
1 1 1   22   12    7 o  357.012   13.373  1607.23  119.223  1585.60  169.370  1628.48  167.855  352.225   19.330  357.154   18.888 -4.929291 27.02557 
1 1 1   22   12    8 o  169.354   10.432  361.621   43.901  382.381   64.190  343.376   60.176  173.296   14.980  164.184   14.837 9.112030 21.08449 
1 1 1   22   12    9 o  289.889   11.130  1056.58   80.571  1117.47  115.520  998.905  112.431  296.729   15.645  280.357   16.127 16.37177 22.46912 
1 1 1   22   12   10 o  222.217   11.016  620.830   61.128  607.679   87.997  633.093   84.978  218.395   16.251  223.177   15.341 -4.781738 22.34846 
1 1 1   22   12   11 o  306.959   11.938  1186.21   91.511  1188.51  130.499  1183.99  128.359  305.460   17.178  304.966   16.921 0.4940186 24.11234 
1 1 1   22   12   12 o   82.776   14.841   89.206   29.551   98.103   45.112   82.519   39.111   85.844   21.176   78.866   19.868 6.977684 29.03715 
1 1 1   22   12   13 o  192.815   16.669  475.412   79.469  328.248  138.550  547.564   97.013  153.159   36.705  206.319   19.045 -53.15964 41.35137 
1 1 1   22   12   14 o  525.964   22.554  3565.62  296.237  4324.17  435.392  2911.79  404.227  571.039   30.645  464.043   35.144 106.9963 46.62817 
1 1 1   22   12   15 f  320.834   18.281  1317.69  145.857  1347.32  226.712  1296.77  190.522  318.754   28.793  315.273   24.389 3.480225 37.73409 
1 1 1   22   12   16 o  214.971   16.139  590.644   86.004  634.170  153.704  570.805  103.769  217.474   29.027  210.009   20.030 7.465134 35.26716 
1 1 1   22   12   17 o  328.839   25.185  1421.17  205.242   0.0000   0.0000  1421.17  205.242  ?   ?   328.839   25.185 0.000000 25.18529 
1 1 1   22   12   18 o  123.486   37.786  216.444  127.399  216.444  127.399   0.0000   0.0000  123.486   37.786  ?   ?  0.000000 37.78594 
1 1 1   22   12   19 o  121.580   15.419  191.154   45.761  201.072  126.987  189.674   49.057  119.092   37.919  120.741   16.719 -1.649643 41.44098 
1 1 1   22   12   20 o  166.049   14.229  353.210   58.430  303.974  140.101  363.577   64.288  143.784   38.324  168.099   15.489 -24.31458 41.33535 
1 1 1   22   12   21 o  191.642   14.961  471.669   71.030  345.498  161.408  501.971   79.101  150.730   41.546  197.272   16.200 -46.54262 44.59271 
1 1 1   22   12   22 o  110.967   18.189  163.071   48.655  116.092  128.714  170.903   52.554   97.912   37.553  113.288   19.267 -15.37671 42.20731 
1 1 1   22   12   23 o  235.006   16.628  716.026   96.951  891.453  181.445  645.927  114.697  253.157   29.239  220.702   21.067 32.45486 36.03817 
1 1 1   22   12   24 o  327.529   18.745  1406.20  152.677  1607.31  250.237  1286.94  192.702  338.245   29.935  307.357   25.332 30.88779 39.21516 
1 1 1   22   12   25 o  160.264   17.620  338.562   69.351  265.469  160.771  355.273   76.871  127.684   42.797  163.430   19.202 -35.74620 46.90688 
1 1 1   22   12   26 o   97.342   19.248  128.867   45.131  315.551  155.108  111.601   47.172  138.202   41.565   89.744   21.358 48.45795 46.73072 
1 1 1   22   12   27 o  178.295   13.279  410.641   58.697  413.771   82.649  407.455   83.377  175.905   19.123  174.330   19.486 1.575195 27.30186 
1 1 1   22   12   28 o   53.651   17.765   36.759   27.720   21.378   45.576   45.790   34.923   53.712   21.788   59.564   19.946 -5.851574 29.53948 
1 1 1   22   12   29 o   78.634   15.126   82.940   28.623   93.982   52.067   78.158   34.265   81.301   23.996   75.330   18.378 5.970993 30.22529 
1 1 1   22   12   30 o  105.750   12.647  146.030   32.735  145.403   58.087  146.322   39.628  100.629   23.535  104.691   15.637 -4.061729 28.25651 
1 1 1   22   12   31 f  171.722   11.436  380.453   48.758  341.998   80.795  402.479   61.147  156.863   21.166  175.206   14.095 -18.34235 25.42991 
1 1 1   22   12   32 o  154.565   11.889  310.219   45.539  255.301   75.662  341.412   57.023  132.919   23.662  160.816   14.350 -27.89679 27.67371 
1 1 1   22   13    0 o  184.902   20.398  442.440   92.618  434.985  128.282  450.558  133.858  179.980   29.570  182.908   30.372 -2.928360 42.38858 
1 1 1   22   13    1 o  242.237   16.864  748.425  101.376  754.490  127.028  737.787  168.235  241.742   21.259  235.675   29.212 6.067139 36.12852 
1 1 1   22   13    2 o  106.104   18.472  147.275   47.165  127.764   51.880  240.231  113.239   97.975   21.770  131.846   34.128 -33.87008 40.48051 
1 1 1   22   13    3 o  204.083   10.701  524.898   54.348  522.257   77.327  527.476   76.401  202.568   15.402  203.650   15.131 -1.082642 21.59121 
1 1 1   22   13    4 o  292.206   10.933  1073.44   79.777  1123.02  113.099  1024.35  112.545  297.537   15.273  283.929   15.938 13.60754 22.07458 
1 1 1   22   13    5 o  167.311   11.213  353.583   46.579  337.178   66.460  369.421   65.302  162.239   16.640  170.156   15.540 -7.917038 22.76756 
1 1 1   22   13    6 o  327.280   12.366  1349.10  101.061  1309.91  143.111  1388.08  142.734  320.482   17.954  330.151   17.374 -9.668884 24.98416 
1 1 1   22   13    7 o  352.700   13.197  1568.70  116.237  1503.11  164.178  1634.63  164.590  342.838   19.255  357.894   18.479 -15.05582 26.68754 
1 1 1   22   13    8 o  231.253   11.410  672.717   65.888  642.228   93.911  702.274   92.465  224.360   16.886  234.958   15.852 -10.59840 23.16054 
1 1 1   22   13    9 o  274.717   11.666  949.734   80.031  903.705  114.068  994.358  112.313  266.216   17.251  279.651   16.152 -13.43497 23.63227 
1 1 1   22   13   10 o  122.521   12.004  190.775   36.255  172.361   53.743  206.153   49.114  114.743   19.451  126.616   15.883 -11.87244 25.11169 
1 1 1   22   13   11 o  117.582   12.426  176.099   35.933  207.180   51.504  146.621   50.157  126.733   16.679  105.537   19.758 21.19637 25.85682 
1 1 1   22   13   12 o  176.464   16.161  398.123   70.423  299.451  127.381  441.556   84.513  146.727   35.214  185.266   18.515 -38.53877 39.78456 
1 1 1   22   13   13 o  198.952   16.609  506.049   81.761  364.764  140.229  578.815  100.636  161.881   35.653  212.063   19.212 -50.18196 40.49986 
1 1 1   22   13   14 o  237.394   16.294  718.944   96.010  746.088  162.097  704.275  119.160  237.158   27.904  233.456   20.653 3.701981 34.71597 
1 1 1   22   13   15 o  117.497   14.784  177.541   42.417  260.469  116.570  164.885   45.538  136.578   34.243  112.714   16.683 23.86425 38.09037 
1 1 1   22   13   16 o  194.835   11.678  480.240   56.556  396.269   83.458  551.545   76.906  174.822   19.447  208.027   14.903 -33.20496 24.50054 
1 1 1   22   13   17 o   46.812   19.346   9.0319   36.782   15.619   40.138 -25.4868   91.883   50.685   20.487   63.850   28.458 -13.16543 35.06476 
1 1 1   22   13   18 o  176.070   11.423  392.750   49.952  324.387   74.405  448.844   67.399  157.759   19.289  187.474   14.510 -29.71454 24.13664 
1 1 1   22   13   19 o  350.872   13.051  1559.97  114.350  1539.66  165.273  1578.61  158.378  345.142   19.252  350.137   18.176 -4.994751 26.47695 
1 1 1   22   13   20 o  133.886   12.613  229.078   41.673  125.925   63.219  308.346   55.418   95.789   25.836  154.989   14.487 -59.20074 29.62026 
1 1 1   22   13   21 o   92.392   13.659  110.806   30.564  115.831   50.452  107.892   38.415   92.284   22.170   90.084   17.708 2.199913 28.37373 
1 1 1   22   13   22 o   80.396   14.955   85.179   28.920   67.589   48.885   94.649   35.870   72.137   23.577   84.163   17.632 -12.02509 29.44056 
1 1 1   22   13   23 o  199.305   11.689  505.849   57.924  435.310   88.460  558.798   76.641  181.508   19.839  208.301   14.831 -26.79372 24.77005 
1 1 1   22   13   24 o  256.586   11.300  835.959   72.403  788.957  109.544  872.422   96.483  245.581   17.988  260.132   14.915 -14.55098 23.36695 
1 1 1   22   13   25 o  220.413   11.496  619.705   63.055  587.263   97.738  642.834   82.525  210.893   18.754  222.911   14.911 -12.01775 23.95996 
1 1 1   22   13   26 o   88.772   14.573  104.007   31.184   75.142   55.134  117.584   37.813   74.932   25.062   93.779   16.762 -18.84716 30.15107 
1 1 1   22   13   27 o   86.253   17.171  100.413   35.683  193.121  155.313   95.247   36.664  110.917   41.542   83.663   18.077 27.25408 45.30460 
1 1 1   22   13   28 o  162.014   14.174  341.565   56.769  516.601  181.725  322.637   59.759  175.617   42.003  156.833   15.460 18.78423 44.75816 
1 1 1   22   13   29 o  108.748   18.898  161.110   49.458  372.254  182.888  144.450   51.372  142.436   45.522  101.954   20.880 40.48183 50.08255 
1 1 1   22   13   30 o   98.435   19.609  134.013   46.507  231.588  183.138  127.287   48.084  114.059   44.507   95.350   20.781 18.70943 49.11924 
1 1 1   22   13   31 o   86.537   17.259  102.509   35.989   47.952   57.254  138.149   46.274   64.818   24.998   99.867   19.253 -35.04877 31.55312 
1 1 1   22   13   32 o  166.732   14.048  365.637   57.946  306.257   82.442  423.613   81.462  146.246   23.361  176.154   18.809 -29.90807 29.99185 
1 1 1   22   13   33 o  133.650   12.434  233.810   41.022  158.554   68.019  276.829   51.427  101.811   26.498  144.389   14.457 -42.57819 30.18493 
1 1 1   22   14    0 o  323.820   14.505  1326.79  117.296  1234.57  137.982  1567.05  222.722  310.830   17.851  346.078   25.961 -35.24820 31.50601 
1 1 1   22   14    1 o  234.999   16.779  705.000   97.816  717.885  122.158  681.976  163.294  235.715   20.972  225.991   29.651 9.723679 36.31811 
1 1 1   22   14    2 o  291.309   16.465  1080.46  119.286  896.975  151.363  1381.18  193.777  262.749   23.311  326.105   23.963 -63.35568 33.43130 
1 1 1   22   14    3 o  109.709   16.568  156.021   43.977  149.645   47.564  193.576  115.435  106.940   18.479  118.860   35.882 -11.92033 40.36061 
1 1 1   22   14    4 o  247.972   10.051  772.423   62.241  852.182   88.687  695.010   87.373  259.431   13.738  233.883   15.040 25.54846 20.36999 
1 1 1   22   14    5 o  151.638   10.585  290.401   39.832  309.561   57.844  273.123   54.930  155.709   15.065  146.123   15.280 9.585358 21.45705 
1 1 1   22   14    6 o  120.358   11.669  184.003   34.632  184.854   51.126  183.281   47.077  119.352   17.689  119.181   16.241 0.1707153 24.01417 
1 1 1   22   14    7 o  392.178   13.642  1941.64  133.603  1967.89  189.219  1915.54  188.667  392.676   19.297  386.828   19.595 5.847473 27.50137 
1 1 1   22   14    8 o  173.442   10.857  379.690   46.788  415.113   67.544  347.011   64.875  180.502   15.124  164.724   15.972 15.77722 21.99656 
1 1 1   22   14    9 o  350.550   12.866  1549.58  112.625  1563.35  159.754  1535.98  158.801  349.879   18.348  346.771   18.404 3.107971 25.98807 
1 1 1   22   14   10 o   54.995   16.331   38.916   24.058   27.432   38.572   46.228   30.779   54.324   20.623   60.225   18.597 -5.901028 27.76966 
1 1 1   22   14   11 o  310.333   17.037  1227.44  131.526  1385.04  205.099  1117.36  171.413  325.772   25.412  293.309   23.603 32.46329 34.68242 
1 1 1   22   14   12 o  328.402   18.016  1377.91  147.178  1464.72  226.518  1314.48  193.616  333.742   27.422  317.634   24.602 16.10800 36.84032 
1 1 1   22   14   13 o  223.184   16.047  635.358   88.836  629.539  149.817  638.513  110.324  217.484   28.253  222.429   20.079 -4.945160 34.66110 
1 1 1   22   14   14 o  398.083   13.535  2002.84  134.546  2128.42  192.529  1882.96  188.102  408.043   18.895  382.922   19.738 25.12054 27.32423 
1 1 1   22   14   15 o   66.497   15.821   58.377   25.891   55.385   42.863   60.096   32.488   66.803   22.089   67.519   18.651 -0.7165146 28.90976 
1 1 1   22   14   16 o   71.326   18.260   67.511   32.663   67.183  116.561   67.539   34.026   88.141   35.160   71.350   18.825 16.79150 39.88205 
1 1 1   22   14   17 o  149.166   12.225  282.846   45.139  308.706   62.988  255.547   64.718  154.781   16.553  139.947   19.011 14.83386 25.20737 
1 1 1   22   14   18 o  146.199   11.614  271.487   42.053  226.585   63.185  307.192   56.343  131.249   19.903  154.804   14.754 -23.55452 24.77460 
1 1 1   22   14   19 o  332.135   12.288  1395.77  101.913  1432.93  147.740  1362.05  140.766  333.688   17.794  325.532   17.379 8.155640 24.87305 
1 1 1   22   14   20 o  207.569   11.538  546.391   59.572  503.775   88.252  582.065   80.744  197.048   18.139  213.044   15.279 -15.99623 23.71591 
1 1 1   22   14   21 o  213.949   11.702  581.243   62.282  473.962   92.132  671.528   84.519  190.181   19.684  228.869   14.869 -38.68808 24.66905 
1 1 1   22   14   22 o  145.232   11.743  269.075   42.225  229.609   65.410  297.271   55.288  131.156   20.655  151.794   14.773 -20.63832 25.39394 
1 1 1   22   14   23 f  225.938   11.845  649.956   66.599  552.049   99.611  729.103   89.560  204.658   19.735  237.900   15.154 -33.24190 24.88255 
1 1 1   22   14   24 o   48.106   16.615   27.546   24.259   10.014   44.518   34.950   28.931   50.423   21.097   53.399   18.153 -2.975910 27.83235 
1 1 1   22   14   25 o  177.834   11.288  403.620   49.871  363.891   78.106  430.965   64.799  165.427   19.268  182.599   14.326 -17.17250 24.01021 
1 1 1   22   14   26 o   65.406   16.420   57.730   26.780   27.337   47.571   71.829   32.401   56.634   22.503   72.679   17.957 -16.04494 28.78917 
1 1 1   22   14   27 o   60.607   16.444   49.510   25.521   64.788   47.124   43.170   30.358   69.795   23.165   57.584   18.562 12.21017 29.68423 
1 1 1   22   14   28 o  105.981   12.665  146.016   32.854  133.718   56.481  152.305   40.390   97.146   23.531  107.247   15.533 -10.10146 28.19585 
1 1 1   22   14   29 o  108.900   12.575  154.233   33.567   97.911   57.158  183.883   41.472   82.854   25.302  118.367   14.322 -35.51257 29.07415 
1 1 1   22   14   30 o   41.190   15.980   15.271   23.502 -33.7826   43.997   34.856   27.801   39.425   18.357   52.514   17.796 -13.08914 25.56707 
1 1 1   22   14   31 o   58.025   17.300   45.613   26.957   3.7683   53.324   59.978   31.244   51.681   22.391   65.889   18.324 -14.20879 28.93310 
1 1 1   22   14   32 o  140.371   14.275  260.019   49.341  427.349  218.441  251.023   50.650  138.896   49.701  137.526   14.991 1.370575 51.91278 
1 1 1   22   14   33 o  135.821   18.652  254.216   61.593  475.177  230.195  237.177   63.924  140.600   50.931  130.001   20.359 10.59886 54.84901 
1 1 1   22   15    0 o  248.475   14.200  783.854   87.745  794.343  100.980  751.524  177.290  249.488   16.298  236.277   30.779 13.21115 34.82722 
1 1 1   22   15    1 o  241.167   14.885  739.531   89.205  781.885  103.744  619.387  174.730  247.370   16.895  212.663   34.051 34.70786 38.01234 
1 1 1   22   15    2 o  224.300   15.362  640.648   85.528  502.860  101.838  970.479  157.562  196.850   21.043  273.115   23.326 -76.26534 31.41502 
1 1 1   22   15    3 o  369.006   15.724  1727.06  144.891  1709.84  173.426  1766.84  263.652  365.362   19.074  365.403   29.136 -0.4061890E-01 34.82463 
1 1 1   22   15    4 o  394.095   15.435  1968.43  151.898  1820.89  180.586  2325.32  280.866  377.035   19.244  421.322   26.835 -44.28629 33.02200 
1 1 1   22   15    5 o  101.399   17.454  134.320   42.600  110.773   45.828  284.050  115.564   91.254   20.599  143.449   32.954 -52.19469 38.86229 
1 1 1   22   15    6 o  405.303   14.742  2078.87  149.210  1963.57  210.258  2195.84  211.779  390.347   21.655  413.980   20.486 -23.63321 29.80947 
1 1 1   22   15    7 o  166.732   10.592  350.907   43.874  401.860   63.662  304.814   60.550  177.681   14.474  154.245   15.950 23.43561 21.53831 
1 1 1   22   15    8 o   85.017   13.464   93.427   27.631   89.730   41.918   96.268   36.744   82.125   20.503   85.446   17.798 -3.320686 27.15067 
1 1 1   22   15    9 o  299.232   12.380  1128.72   92.511  1144.60  131.416  1113.12  130.253  299.372   17.657  295.178   17.753 4.193481 25.03884 
1 1 1   22   15   10 o  142.156   11.625  256.129   40.908  199.982   59.034  307.995   56.739  123.608   19.793  155.309   14.809 -31.70176 24.71996 
1 1 1   22   15   11 o  201.843   16.546  520.881   82.663  365.842  138.724  606.239  102.933  162.150   35.264  217.013   19.192 -54.86266 40.14829 
1 1 1   22   15   12 o  267.818   16.774  915.408  111.615  916.558  177.641  914.658  143.472  263.334   27.416  265.744   21.812 -2.410370 35.03433 
1 1 1   22   15   13 o  126.146   14.447  203.973   44.687  361.753  111.844  173.999   48.748  163.870   28.358  115.672   17.416 48.19782 33.27919 
1 1 1   22   15   14 o  387.657   12.671  1897.22  122.666  1983.24  175.333  1814.75  171.677  394.239   17.810  376.923   18.239 17.31580 25.49229 
1 1 1   22   15   15 o  211.095   16.391  570.348   85.729   0.0000   0.0000  570.348   85.729  ?   ?   211.095   16.391 0.000000 16.39144 
1 1 1   22   15   16 o  239.839   14.418  732.013   85.951  754.726  100.820  671.594  164.436  242.760   16.733  222.682   30.362 20.07845 34.66788 
1 1 1   22   15   17 o   96.242   13.086  119.289   30.634  102.915   48.223  130.368   39.667   87.442   22.080   99.873   16.480 -12.43051 27.55162 
1 1 1   22   15   18 o  325.003   12.194  1335.51   98.966  1452.29  142.640  1227.11  137.423  336.530   17.029  308.848   17.895 27.68216 24.70237 
1 1 1   22   15   19 o  273.063   12.153  943.462   82.869  917.721  120.279  966.721  114.335  266.581   18.177  274.302   16.772 -7.720734 24.73240 
1 1 1   22   15   20 o  112.541   12.210  162.226   33.763  155.051   53.440  166.992   43.558  107.614   20.637  113.262   15.833 -5.648392 26.01105 
1 1 1   22   15   21 o  214.452   11.570  583.901   61.733  539.367   91.273  621.451   83.811  203.636   18.139  219.897   15.359 -16.26089 23.76798 
1 1 1   22   15   22 o  209.318   11.656  557.130   60.687  567.053   91.249  549.259   81.265  208.776   17.668  206.240   15.902 2.536148 23.77037 
1 1 1   22   15   23 f  110.637   13.056  158.054   35.378  140.417   56.667  169.318   45.287  101.002   22.984  113.517   16.456 -12.51467 28.26777 
1 1 1   22   15   24 o  128.628   12.076  212.343   38.334  163.321   60.730  244.812   49.425  108.795   23.069  137.362   14.634 -28.56682 27.31914 
1 1 1   22   15   25 o  170.634   11.630  372.252   49.260  315.191   76.797  412.140   64.209  153.145   20.604  178.441   14.536 -25.29678 25.21551 
1 1 1   22   15   26 o   98.570   13.513  126.843   32.387   73.948   54.087  156.409   40.437   74.367   24.823  109.031   15.271 -34.66342 29.14443 
1 1 1   22   15   27 o   81.453   15.029   88.353   29.443   29.498   51.029  117.726   36.050   58.375   23.271   94.015   15.924 -35.64002 28.19718 
1 1 1   22   15   28 o  100.275   13.669  131.754   33.336   94.300   55.914  152.409   41.522   81.745   25.036  107.099   16.017 -25.35349 29.72108 
1 1 1   22   15   29 o  193.117   11.669  478.966   56.009  394.759   89.370  533.430   71.874  169.655   21.583  202.449   14.309 -32.79446 25.89587 
1 1 1   22   15   30 o   99.229   13.243  129.185   31.996   69.528   55.788  158.427   39.058   72.047   25.178  109.499   14.651 -37.45170 29.13089 
1 1 1   22   15   31 o   71.971   15.619   70.381   27.265   40.082   50.677   82.724   32.346   60.775   23.496   77.644   17.141 -16.86902 29.08405 
1 1 1   22   15   32 o   92.459   13.687  113.429   30.646   74.699   55.339  130.560   36.805   73.079   25.103   98.573   15.460 -25.49387 29.48187 
1 1 1   22   15   33 o  160.762   11.792  335.663   47.011  254.426   78.932  380.320   58.523  131.389   24.970  169.917   13.914 -38.52774 28.58494 
1 1 1   22   16    0 o   90.429   18.032  108.003   39.290   96.562   41.507  206.601  121.849   85.081   19.892  121.495   36.907 -36.41416 41.92662 
1 1 1   22   16    1 o  343.264   15.767  1497.24  135.158  1533.45  160.542  1409.12  250.450  345.724   18.665  323.596   31.388 22.12759 36.51817 
1 1 1   22   16    2 o  139.556   16.876  251.353   57.618  237.048   63.960  312.937  132.710  134.714   19.587  149.012   36.055 -14.29836 41.03147 
1 1 1   22   16    3 o   87.247   20.000  101.357   42.645  108.443   45.938   57.185  114.691   90.147   20.826   85.986   34.674 4.160957 40.44759 
1 1 1   22   16    4 o   91.686   17.490  110.492   38.583   97.751   40.965  210.579  114.820   85.746   19.564  122.992   35.445 -37.24670 40.48573 
1 1 1   22   16    5 o  143.969   14.710  265.121   52.142  233.941   56.886  429.008  130.421  134.501   17.341  177.905   30.452 -43.40416 35.04275 
1 1 1   22   16    6 o  363.131   16.043  1674.41  145.476  1691.47  174.181  1635.05  264.526  363.164   19.276  350.161   30.558 13.00272 36.12936 
1 1 1   22   16    7 o  146.302   15.502  274.354   55.771  275.325   62.209  270.377  125.891  146.082   17.395  138.799   36.012 7.282852 39.99310 
1 1 1   22   16    8 o  235.554   11.609  698.924   68.284  649.631   96.412  748.537   96.726  225.280   17.269  242.293   16.078 -17.01309 23.59513 
1 1 1   22   16    9 o  277.330   11.023  968.015   76.339  969.925  108.440  966.139  107.487  276.022   15.798  275.517   15.688 0.5050964 22.26384 
1 1 1   22   16   10 o  269.188   11.845  913.196   79.625  942.231  113.366  884.927  111.862  271.680   16.792  263.146   17.116 8.534149 23.97783 
1 1 1   22   16   11 o  333.442   17.681  1421.17  146.696  1594.42  225.923  1294.89  192.889  348.565   26.146  314.760   24.740 33.80423 35.99515 
1 1 1   22   16   12 o  129.202   16.217  215.312   51.171  183.674  114.359  223.233   57.219  115.613   35.871  131.139   17.943 -15.52557 40.10809 
1 1 1   22   16   13 o  336.292   13.125  1429.16  110.221  1446.79  157.028  1412.04  154.749  335.767   18.803  331.721   18.758 4.045685 26.56006 
1 1 1   22   16   14 o  251.044   11.411  794.326   71.536  779.098  102.571  808.747   99.818  246.768   16.744  251.713   15.963 -4.945297 23.13389 
1 1 1   22   16   15 o  312.755   12.801  1236.39   99.979  1201.67  142.918  1269.67  139.915  305.647   18.816  314.648   17.881 -9.000336 25.95700 
1 1 1   22   16   16 o  136.553   11.536  236.887   38.971  224.555   57.939  247.076   52.664  131.266   18.162  138.554   15.486 -7.287811 23.86778 
1 1 1   22   16   17 o   94.944   12.871  116.091   29.728  147.073   46.811   95.149   38.486  105.645   18.413   84.500   18.731 21.14490 26.26571 
1 1 1   22   16   18 f  216.382   10.777  590.586   58.236  638.618   85.302  548.657   79.699  223.343   15.388  206.889   15.540 16.45433 21.86980 
1 1 1   22   16   19 o  188.360   11.628  450.243   54.428  417.606   79.709  478.756   74.502  179.348   18.042  193.045   15.587 -13.69658 23.84321 
1 1 1   22   16   20 o  141.767   11.758  256.085   41.251  256.273   62.410  255.940   54.971  139.872   18.307  140.563   15.943 -0.6913757 24.27626 
1 1 1   22   16   21 o  189.286   10.743  454.316   50.572  518.587   76.490  404.403   67.407  200.716   15.378  177.107   15.394 23.60924 21.75904 
1 1 1   22   16   22 o  246.798   11.836  772.877   72.946  699.155  106.585  837.831  100.047  231.373   18.605  254.928   15.794 -23.55498 24.40420 
1 1 1   22   16   23 o  340.504   12.134  1474.44  103.173  1627.24  151.164  1341.18  141.166  354.572   17.072  321.070   17.675 33.50143 24.57368 
1 1 1   22   16   24 o  202.671   11.345  523.372   57.185  506.734   86.936  536.062   75.922  196.510   17.913  203.594   15.040 -7.083267 23.38931 
1 1 1   22   16   25 o  234.013   11.953  699.737   69.616  661.185  105.010  729.966   92.986  223.623   18.984  237.033   15.800 -13.41095 24.69873 
1 1 1   22   16   26 o  109.943   13.144  157.004   35.371   88.296   57.408  199.047   44.908   79.961   25.499  123.346   14.880 -43.38449 29.52337 
1 1 1   22   16   27 o  131.485   12.084  222.812   39.234  193.607   64.377  240.068   49.486  118.021   22.667  135.473   14.872 -17.45187 27.11068 
1 1 1   22   16   28 o  146.251   11.750  275.146   42.552  204.815   68.909  318.493   54.098  120.663   23.715  156.493   13.991 -35.83044 27.53424 
1 1 1   22   16   29 o  199.486   11.551  510.727   57.295  426.415   90.826  566.454   73.842  176.800   20.981  208.670   14.256 -31.86969 25.36643 
1 1 1   22   16   30 o   97.534   13.200  124.841   31.324  105.554   55.430  133.891   37.968   85.566   24.618  100.113   15.704 -14.54713 29.20046 
1 1 1   22   16   31 o  103.385   12.827  139.993   32.404  101.155   57.215  158.333   39.317   83.396   25.281  109.241   14.793 -25.84572 29.29099 
1 1 1   22   16   32 o   50.640   16.552   33.371   24.093   14.454   48.075   39.715   27.842   52.027   21.855   54.788   17.788 -2.760593 28.17882 
1 1 1   22   16   33 o  114.546   12.266  171.726   34.542  193.907   61.566  161.536   41.728  116.400   21.986  109.489   15.712 6.910484 27.02358 
1 1 1   22   17    0 o  114.794   16.392  171.210   45.655  167.526   48.764  197.370  129.937  113.131   17.853  118.790   38.413 -5.659126 42.35941 
1 1 1   22   17    1 o   73.260   20.264   71.279   38.321   72.623   40.317   58.708  123.300   73.989   20.900   87.845   35.761 -13.85577 41.42044 
1 1 1   22   17    2 o  322.468   14.567  1319.09  117.301  1276.45  137.268  1434.53  225.842  315.675   17.481  328.576   27.785 -12.90125 32.82672 
1 1 1   22   17    3 o   67.428   20.400   59.083   37.284   49.252   39.177  153.474  121.395   63.295   21.127  108.031   37.176 -44.73565 42.75954 
1 1 1   22   17    4 o  257.164   13.983  839.761   89.456  814.617  103.278  915.290  179.000  252.458   16.472  262.339   27.745 -9.881195 32.26614 
1 1 1   22   17    5 o  144.122   14.730  265.955   52.269  265.171   57.208  269.918  128.591  143.524   16.248  138.051   36.678 5.473190 40.11552 
1 1 1   22   17    6 o  219.499   14.357  612.795   78.261  616.651   89.424  600.179  161.760  219.574   16.428  210.014   31.843 9.559998 35.83057 
1 1 1   22   17    7 o  337.644   15.633  1447.83  131.809  1460.54  156.749  1417.13  243.548  337.438   18.675  325.438   30.317 11.99963 35.60743 
1 1 1   22   17    8 o  239.896   13.427  729.808   80.115  673.586   91.782  909.741  164.193  229.658   16.106  263.051   25.308 -33.39233 29.99818 
1 1 1   22   17    9 o  125.388   15.407  202.404   47.228  189.857   51.306  272.046  120.878  120.850   17.511  139.219   34.850 -18.36895 39.00222 
1 1 1   22   17   10 o  382.174   13.545  1847.28  129.270  1892.10  182.496  1802.14  183.135  384.406   19.011  374.366   19.658 10.04068 27.34740 
1 1 1   22   17   11 o  356.152   19.105  1629.33  169.297  1663.17  255.291  1602.77  226.186  353.387   29.190  349.027   26.141 4.359802 39.18455 
1 1 1   22   17   12 o  178.234   15.090  405.931   66.530  500.596  129.418  371.928   77.564  193.347   27.587  169.526   18.629 23.82115 33.28776 
1 1 1   22   17   13 o  369.496   13.574  1728.02  125.244  1763.65  178.107  1693.17  176.152  370.263   19.330  362.663   19.522 7.600098 27.47317 
1 1 1   22   17   14 o  349.129   17.962  1563.33  156.066   0.0000   0.0000  1563.33  156.066  ?   ?   349.129   17.962 0.000000 17.96161 
1 1 1   22   17   15 o  371.723   19.081  1779.51  176.526  1779.51  176.526   0.0000   0.0000  371.723   19.081  ?   ?  0.000000 19.08115 
1 1 1   22   17   16 o  190.322   11.842  459.245   56.003  378.231   80.525  535.137   77.938  170.459   19.255  204.481   15.376 -34.02132 24.64077 
1 1 1   22   17   17 o   59.907   15.870   47.418   24.119   23.322   40.239   60.928   30.131   53.225   20.836   67.699   17.644 -14.47429 27.30312 
1 1 1   22   17   18 o  177.454   10.503  398.520   46.337  445.751   68.917  359.550   62.599  186.481   14.924  167.295   15.149 19.18642 21.26526 
1 1 1   22   17   19 o  202.689   11.542  521.244   58.176  484.201   84.888  554.051   79.887  193.220   17.793  207.686   15.515 -14.46602 23.60773 
1 1 1   22   17   20 o  316.687   12.480  1272.53   98.697  1261.01  141.762  1283.36  137.494  311.938   18.279  315.150   17.540 -3.212097 25.33320 
1 1 1   22   17   21 o  121.228   11.814  188.023   35.309  172.858   54.704  198.853   46.228  113.693   19.998  123.737   15.286 -10.04380 25.17087 
1 1 1   22   17   22 o  105.091   12.166  142.102   31.337  150.923   50.608  136.617   39.909  105.961   19.856  101.867   16.233 4.093895 25.64705 
1 1 1   22   17   23 o  349.846   12.976  1561.42  113.359  1625.68  164.291  1503.02  156.612  352.503   18.731  339.046   18.568 13.45709 26.37474 
1 1 1   22   17   24 o  117.097   12.819  177.041   36.871  106.281   58.097  224.762   47.711   87.224   25.235  131.432   14.794 -44.20802 29.25163 
1 1 1   22   17   25 o  177.086   11.545  400.915   50.774  379.648   77.966  416.577   66.907  169.113   18.779  179.066   15.103 -9.953232 24.09921 
1 1 1   22   17   26 o  124.463   12.000  199.535   36.834  176.281   60.385  213.314   46.483  112.880   22.213  127.721   14.851 -14.84122 26.72049 
1 1 1   22   17   27 o   97.468   13.545  124.369   32.078   90.102   54.152  142.892   39.815   80.237   24.649  103.765   15.870 -23.52850 29.31579 
1 1 1   22   17   28 o  184.685   11.772  437.946   54.007  348.185   84.638  499.596   70.143  159.301   21.852  195.978   14.434 -36.67699 26.18884 
1 1 1   22   17   29 f  135.913   11.853  238.339   39.826  210.229   65.898  254.515   49.988  122.735   22.323  139.365   14.579 -16.62933 26.66205 
1 1 1   22   17   30 o   66.259   15.496   59.566   25.183   93.773   47.662   46.317   29.662   81.227   22.647   58.789   18.273 22.43787 29.09953 
1 1 1   22   17   31 o  139.438   11.354  250.961   39.193  233.802   67.253  259.786   48.229  129.303   21.589  140.763   13.902 -11.45966 25.67821 
1 1 1   22   17   32 o   49.117   16.497   30.740   23.889 -33.3804   47.094   52.956   27.721   40.923   19.034   62.017   17.264 -21.09378 25.69730 
1 1 1   22   17   33 o  128.242   11.992  214.406   37.958  239.435   66.900  202.523   46.097  130.094   21.333  122.990   15.343 7.103920 26.27692 
1 1 1   22   18    0 o  100.416   16.852  132.295   40.761  114.960   42.877  295.062  131.382   92.878   19.124  142.834   36.652 -49.95554 41.34132 
1 1 1   22   18    1 o  217.630   14.111  603.790   76.277  605.243   85.799  598.314  166.590  217.287   15.923  207.457   33.282 9.829559 36.89493 
1 1 1   22   18    2 o  259.757   13.841  858.103   89.460  780.587  102.019  1116.08  186.114  246.700   16.658  290.041   25.971 -43.34145 30.85410 
1 1 1   22   18    3 o   74.579   19.604   74.167   36.991   80.009   38.769   14.807  123.583   77.380   19.939   80.224   34.417 -2.843872 39.77578 
1 1 1   22   18    4 o  134.989   17.804  236.878   58.552  255.785   65.097  156.783  133.984  139.951   19.127  109.671   38.958 30.27991 43.40073 
1 1 1   22   18    5 o  164.173   13.987  343.970   56.797  333.232   62.323  396.594  137.969  161.123   15.689  168.454   33.971 -7.331772 37.41826 
1 1 1   22   18    6 o  300.491   14.022  1144.33  105.221  1113.34  122.493  1231.54  205.515  295.049   16.694  304.500   27.318 -9.451477 32.01490 
1 1 1   22   18    7 o  197.536   14.352  497.268   70.312  513.110   79.318  439.150  151.925  200.188   16.000  176.751   35.650 23.43701 39.07640 
1 1 1   22   18    8 o  139.175   14.964  248.601   51.190  243.909   55.655  274.372  130.432  137.429   16.550  138.738   36.977 -1.309113 40.51165 
1 1 1   22   18    9 o  129.207   15.614  215.169   49.357  210.068   53.642  243.325  126.030  127.186   17.341  130.868   36.946 -3.681999 40.81369 
1 1 1   22   18   10 o  114.073   16.357  168.909   45.261  164.913   48.705  194.201  122.543  112.261   17.981  118.092   37.212 -5.831009 41.32865 
1 1 1   22   18   11 o  330.361   29.046  1459.46  237.188  1459.46  237.188   0.0000   0.0000  330.361   29.046  ?   ?  0.000000 29.04613 
1 1 1   22   18   12 o  195.069   15.811  487.323   76.357  490.963  139.320  485.761   91.289  189.715   30.437  193.646   19.128 -3.930222 35.94831 
1 1 1   22   18   13 o  349.390   14.591  1550.02  127.307  1406.69  212.408  1630.37  159.037  325.902   26.324  356.411   17.926 -30.50836 31.84823 
1 1 1   22   18   14 o  268.940   14.164  920.347   94.791  914.467  111.382  935.794  180.520  267.071   16.786  264.374   27.758 2.697174 32.43892 
1 1 1   22   18   15 o  497.652   15.857  3158.23  197.063  3373.86  280.100  2946.90  277.299  509.445   22.017  474.922   23.382 34.52249 32.11644 
1 1 1   22   18   16 o  165.100   11.193  345.633   45.876  335.546   67.019  354.527   62.929  161.094   16.912  166.125   15.343 -5.030319 22.83459 
1 1 1   22   18   17 o  226.012   12.022  648.064   67.606  604.475   97.281  688.781   94.021  216.051   18.201  231.487   16.370 -15.43594 24.47953 
1 1 1   22   18   18 o  137.436   11.947  240.834   40.594  221.743   60.316  256.642   54.885  129.717   19.200  140.827   15.884 -11.11021 24.91922 
1 1 1   22   18   19 o  146.307   11.816  272.782   42.802  236.576   63.479  302.965   57.960  133.804   19.577  153.217   15.355 -19.41296 24.88080 
1 1 1   22   18   20 o   84.861   14.376   94.303   29.378   90.819   46.784   96.571   37.748   81.721   22.303   84.882   18.344 -3.161072 28.87728 
1 1 1   22   18   21 o   65.212   14.809   56.522   23.566   74.232   41.051   47.817   28.781   74.165   21.138   60.245   17.856 13.92010 27.67035 
1 1 1   22   18   22 o  118.315   11.509  179.255   33.574  207.523   53.487  160.875   43.128  125.466   17.552  110.707   16.070 14.75843 23.79736 
1 1 1   22   18   23 o  296.295   12.286  1118.29   90.906  1163.18  132.299  1078.14  125.122  298.471   17.832  287.545   17.509 10.92542 24.99047 
1 1 1   22   18   24 o  145.993   11.702  272.977   42.304  239.842   64.662  297.773   55.937  133.610   19.995  151.341   14.999 -17.73070 24.99490 
1 1 1   22   18   25 o  121.368   11.508  189.213   34.462  214.164   56.219  174.193   43.619  126.664   18.305  115.074   15.580 11.58998 24.03734 
1 1 1   22   18   26 o   90.832   13.263  107.967   29.196  132.521   50.493   95.633   35.786   97.854   21.270   84.016   17.619 13.83750 27.62011 
1 1 1   22   18   27 f   57.476   21.045   38.129   39.458   52.627   45.462  -6.1443   79.444   64.620   22.721   60.299   26.690 4.321087 35.05101 
1 1 1   22   18   28 o   88.756   21.235  110.096   46.435  119.153   56.363   90.961   81.926   91.297   24.295   82.469   30.306 8.828712 38.84185 
1 1 1   22   18   29 o  117.343   17.819  185.553   50.574  169.936   63.843  211.862   82.865  109.093   24.079  119.591   28.205 -10.49808 37.08564 
1 1 1   22   18   30 o   88.359   20.100  108.985   43.351   80.205   55.384  154.508   69.655   75.772   25.111  102.130   26.928 -26.35802 36.81972 
1 1 1   22   18   31 o  153.318   15.873  312.183   59.892  302.524   80.068  324.453   90.243  146.636   22.591  150.190   24.936 -3.553314 33.64782 
1 1 1   22   18   32 f   47.977   19.375   17.964   35.867   3.7321   46.467   38.940   56.414   48.509   20.960   61.662   24.503 -13.15302 32.24488 
1 1 1   22   18   33 f  137.540   16.103  254.360   54.262  121.056   73.545  413.617   80.386   88.470   28.919  173.632   18.842 -85.16188 34.51547 
1 1 1   22   19    0 o  316.464   15.449  1280.31  122.085  1294.37  142.402  1241.31  237.161  316.364   18.100  298.917   32.284 17.44678 37.01229 
1 1 1   22   19    1 o  131.346   15.041  222.730   48.445  216.802   51.791  264.213  137.003  129.159   16.429  133.886   38.757 -4.726715 42.09516 
1 1 1   22   19    2 o  132.236   15.282  225.778   49.535  224.413   53.032  235.118  138.690  131.472   16.518  127.000   39.519 4.471916 42.83185 
1 1 1   22   19    3 o  141.707   15.340  258.767   53.416  236.956   57.747  388.028  140.578  134.882   17.561  164.942   35.202 -30.05937 39.33907 
1 1 1   22   19    4 o  249.433   16.878  799.384  104.513  740.519  127.241  921.453  183.232  237.877   21.657  261.363   28.538 -23.48596 35.82537 
1 1 1   22   19    5 o   89.152   19.845  106.329   43.044   83.777   45.681  284.924  128.549   79.102   22.212  140.784   36.323 -61.68204 42.57668 
1 1 1   22   19    6 o  271.034   13.841  934.194   93.369  888.627  106.786  1082.12  192.404  263.392   16.316  284.525   27.419 -21.13312 31.90625 
1 1 1   22   19    7 o  161.544   13.954  333.414   55.738  331.347   61.074  343.714  136.357  160.641   15.414  155.217   35.895 5.423523 39.06450 
1 1 1   22   19    8 o   71.439   19.472   67.856   35.688   55.366   37.365  197.699  120.474   65.584   20.529  118.474   36.827 -52.89005 42.16225 
1 1 1   22   19    9 o  160.530   14.532  329.852   57.622  320.397   63.226  376.207  139.999  157.699   16.290  162.839   35.435 -5.139908 39.00021 
1 1 1   22   19   10 o   87.500   18.664  101.844   39.538   87.270   41.820  224.531  121.337   80.683   20.665  125.504   36.515 -44.82085 41.95692 
1 1 1   22   19   11 o  169.017   16.004  367.293   66.745  367.293   66.745   0.0000   0.0000  169.017   16.004  ?   ?  0.000000 16.00434 
1 1 1   22   19   12 o  115.244   34.993  186.642  109.553  186.642  109.553   0.0000   0.0000  115.244   34.993  ?   ?  0.000000 34.99267 
1 1 1   22   19   13 o  143.185   14.933  263.547   52.607  223.287   57.570  467.300  129.514  130.759   18.118  185.156   28.960 -54.39677 34.16025 
1 1 1   22   19   14 o  444.789   21.266  2568.93  236.206  2568.93  236.206   0.0000   0.0000  444.789   21.266  ?   ?  0.000000 21.26609 
1 1 1   22   19   15 o   91.875   13.087  109.077   29.176   74.684   44.759  134.487   38.472   74.983   22.277  101.547   15.676 -26.56440 27.24017 
1 1 1   22   19   16 o  153.614   11.396  299.828   43.402  281.278   63.628  315.971   59.355  146.971   17.692  156.637   15.372 -9.665802 23.43755 
1 1 1   22   19   17 o  217.469   11.217  599.351   60.707  617.187   87.951  583.120   83.899  218.960   16.200  212.921   15.894 6.038559 22.69484 
1 1 1   22   19   18 o  109.402   12.288  153.581   32.990  148.658   50.483  157.250   43.584  105.429   19.905  109.598   16.431 -4.169403 25.81035 
1 1 1   22   19   19 o   81.686   13.127   86.880   25.871  138.694   43.369   58.258   32.234  102.377   17.598   66.127   18.691 36.25022 25.67178 
1 1 1   22   19   20 o   83.017   13.164   89.784   26.379   99.726   43.609   84.046   33.128   85.671   20.630   79.265   17.228 6.406044 26.87786 
1 1 1   22   19   21 o  105.402   12.201  143.012   31.521  152.454   49.822  136.710   40.703  106.610   19.430  101.757   16.590 4.853233 25.54918 
1 1 1   22   19   22 o   60.160   15.668   48.342   23.772   17.302   41.047   64.006   29.159   51.066   20.690   68.981   17.030 -17.91527 26.79759 
1 1 1   22   19   23 o   75.456   13.850   75.111   25.136  143.532   44.124   42.241   30.583  103.718   17.669   57.392   18.643 46.32585 25.68603 
1 1 1   22   19   24 o   90.282   21.520  112.700   47.832  126.027   54.232   66.031  101.489   95.019   23.084   81.023   32.637 13.99623 39.97542 
1 1 1   22   19   25 o  195.029   16.139  497.367   77.892  437.151   96.869  607.528  131.022  179.294   22.104  208.927   25.652 -29.63240 33.86126 
1 1 1   22   19   26 o   81.082   21.870   91.689   45.298   62.462   51.894  185.233   92.840   69.583   24.286  110.749   31.859 -41.16551 40.06012 
1 1 1   22   19   27 o   86.048   21.559  103.591   46.229   89.709   54.226  140.520   88.443   79.925   24.684   97.146   31.711 -17.22133 40.18570 
1 1 1   22   19   28 o  100.557   20.148  139.551   48.831  121.256   58.442  181.862   88.878   91.811   24.873  109.319   31.084 -17.50784 39.81057 
1 1 1   22   19   29 o   80.552   21.641   91.415   44.461   86.934   54.408  100.421   77.137   78.448   24.803   84.213   29.597 -5.765533 38.61575 
1 1 1   22   19   30 o   59.243   21.226   43.353   39.856   33.740   48.576   63.156   69.720   58.255   22.868   72.151   27.647 -13.89653 35.87844 
1 1 1   22   19   31 o  188.898   11.511  460.033   54.042  424.294   87.591  481.999   68.670  175.682   20.342  191.659   14.454 -15.97615 24.95428 
1 1 1   22   19   32 o  155.200   11.619  311.901   44.705  251.817   74.760  345.345   55.776  132.371   23.476  162.126   13.911 -29.75478 27.28848 
1 1 1   22   19   33 o  156.709   14.264  324.793   55.207   0.0000   0.0000  324.793   55.207  ?   ?   156.709   14.264 0.000000 14.26350 
1 1 1   22   20    0 o   52.293   18.650   31.132   30.734   28.058   31.650   81.915  128.659   51.243   18.836   91.104   36.729 -39.86052 41.27751 
1 1 1   22   20    1 o   69.130   19.278   63.951   34.532   51.100   35.819  233.225  130.002   63.001   20.147  125.292   38.136 -62.29020 43.13046 
1 1 1   22   20    2 o   85.842   18.543   98.691   38.587   94.262   40.356  145.895  131.757   83.630   19.656  105.067   38.459 -21.43694 43.19118 
1 1 1   22   20    3 o   94.998   17.760  119.676   40.583  105.886   42.584  256.138  133.961   88.746   19.727  131.594   38.391 -42.84869 43.16233 
1 1 1   22   20    4 o  139.938   15.343  252.878   52.737  261.604   57.076  201.932  137.902  142.033   16.393  118.613   39.637 23.41978 42.89297 
1 1 1   22   20    5 o  232.110   15.671  691.268   90.300  543.870  106.122  1078.01  171.898  203.451   21.199  285.023   24.386 -81.57285 32.31238 
1 1 1   22   20    6 o  161.389   13.937  333.411   55.619  325.531   60.448  376.900  142.011  159.021   15.416  161.658   36.091 -2.637009 39.24586 
1 1 1   22   20    7 o  162.748   15.593  340.959   62.596  390.155   69.289  122.588  145.981  174.013   16.129  103.077   39.871 70.93623 43.00945 
1 1 1   22   20    8 o   77.534   18.907   80.472   36.277   72.549   37.922  165.909  124.529   73.666   20.069  110.013   37.661 -36.34729 42.67499 
1 1 1   22   20    9 o  200.669   13.957  513.978   69.503  499.306   77.724  572.537  155.279  197.125   15.925  203.395   31.597 -6.270126 35.38367 
1 1 1   22   20   10 o  112.047   17.075  164.243   46.265  189.770   49.485 -13.0006  130.395  120.657   16.886   77.494   34.252 43.16363 38.18855 
1 1 1   22   20   11 o  191.645   13.890  468.963   66.024  474.666   73.209  444.114  152.818  192.339   15.371  176.098   35.967 16.24115 39.11372 
1 1 1   22   20   13 o  174.862   30.954  425.138  130.219  425.138  130.219   0.0000   0.0000  174.862   30.954  ?   ?  0.000000 30.95416 
1 1 1   22   20   14 o  158.452   13.900  321.606   54.444  312.645   59.942  363.839  130.127  155.697   15.628  159.866   33.660 -4.169693 37.11081 
1 1 1   22   20   15 o  294.346   14.276  1103.58  104.931  1081.81  123.161  1161.24  200.419  289.729   17.098  293.024   27.719 -3.294861 32.56829 
1 1 1   22   20   16 o  260.208   14.373  865.709   93.035  921.877  109.394  718.903  176.856  267.582   16.451  226.762   32.131 40.81960 36.09752 
1 1 1   22   20   17 o  272.987   14.114  952.521   95.883  990.825  113.154  854.977  180.569  277.317   16.413  249.087   29.610 28.23064 33.85426 
1 1 1   22   20   18 o  168.055   11.119  358.965   46.398  363.957   67.977  354.611   63.486  167.499   16.464  165.656   15.528 1.843063 22.63182 
1 1 1   22   20   19 o  116.692   11.876  174.499   34.125  147.580   52.107  194.716   45.157  104.531   20.694  122.420   15.091 -17.88852 25.61224 
1 1 1   22   20   20 o  233.746   11.922  695.796   69.357  730.393  100.343  664.146   95.974  237.117   17.060  226.020   17.132 11.09666 24.17731 
1 1 1   22   20   21 o  128.843   11.288  212.227   35.951  238.031   55.277  193.312   47.328  134.702   16.798  121.490   15.988 13.21183 23.19065 
1 1 1   22   20   22 o  265.569   11.601  896.954   76.934  1029.04  112.404  780.545  105.523  281.710   16.045  244.429   17.402 37.28018 23.66948 
1 1 1   22   20   23 f  218.524   16.834  624.171   91.155  651.142  115.350  579.317  148.755  220.391   21.222  200.665   30.659 19.72568 37.28695 
1 1 1   22   20   24 o  116.524   19.068  182.894   53.564  174.787   61.578  208.099  108.578  112.229   22.751  116.549   34.713 -4.319969 41.50441 
1 1 1   22   20   25 o  151.359   16.809  302.396   62.459  254.445   73.652  425.181  117.858  135.862   22.496  172.079   28.419 -36.21667 36.24537 
1 1 1   22   20   26 o   80.742   14.367   86.545   27.906  103.668   51.150   79.289   33.298   85.682   23.294   76.214   17.815 9.468544 29.32540 
1 1 1   22   20   27 o   88.266   14.206  103.049   30.250   47.084   51.561  132.423   37.355   63.877   23.933   99.828   15.486 -35.95178 28.50651 
1 1 1   22   20   28 f   90.534   13.896  108.213   30.413   73.562   52.375  125.842   37.357   73.333   24.425   96.993   15.980 -23.66059 29.18815 
1 1 1   22   20   29 o  114.687   12.351  170.948   34.814  118.210   58.128  200.445   43.473   90.277   24.952  123.475   14.368 -33.19821 28.79318 
1 1 1   22   20   30 f  108.628   12.263  153.714   32.684  157.700   56.144  151.671   40.197  105.585   22.007  106.594   15.560 -1.008247 26.95207 
1 1 1   22   20   31 f   71.404   14.669   68.887   25.280   62.403   48.663   71.283   29.586   67.996   23.529   72.002   16.767 -4.005798 28.89262 
1 1 1   22   20   32 o  117.713   12.113  180.795   35.099  150.272   61.582  195.482   42.716  100.799   24.666  121.422   14.366 -20.62363 28.54484 
1 1 1   22   20   33 o   93.630   27.789  136.120   69.673   0.0000   0.0000  136.120   69.673  ?   ?    93.630   27.789 0.000000 27.78901 
1 1 1   22   21    0 o   58.046   19.342   42.410   32.842   42.437   33.796   41.953  139.206   58.281   19.621   85.484   36.597 -27.20315 41.52518 
1 1 1   22   21    1 o  252.491   14.108  818.050   88.599  787.299  100.184  928.420  189.802  246.544   16.366  257.414   30.095 -10.86984 34.25695 
1 1 1   22   21    2 o  106.602   16.601  149.633   42.754  146.347   45.072  179.140  135.072  105.001   17.827  111.470   39.165 -6.468506 43.03157 
1 1 1   22   21    3 o   65.517   19.544   56.853   34.398   66.073   35.744 -58.6896  126.539   70.154   19.631   69.557   31.940 0.5973434 37.49005 
1 1 1   22   21    4 o  147.258   14.927  280.031   54.132  290.657   58.702  219.652  139.934  149.710   15.947  121.596   39.897 28.11386 42.96609 
1 1 1   22   21    5 o  219.187   14.561  616.017   79.244  633.186   89.071  550.834  173.549  221.544   16.213  194.051   37.167 27.49309 40.54961 
1 1 1   22   21    6 o  160.751   17.287  336.190   68.303  357.631   77.183  258.761  146.671  165.154   19.065  131.172   40.611 33.98259 44.86317 
1 1 1   22   21    7 o  159.454   14.425  326.729   56.815  341.667   61.754  244.399  144.980  162.779   15.374  128.030   40.490 34.74934 43.31042 
1 1 1   22   21    8 o  158.952   14.735  324.993   57.824  323.491   62.996  333.028  145.719  158.109   16.183  149.557   38.715 8.552094 41.96164 
1 1 1   22   21    9 o  298.516   13.756  1133.92  102.542  1068.24  118.183  1333.97  206.254  288.132   16.494  315.027   26.463 -26.89548 31.18270 
1 1 1   22   21   10 o  133.414   14.700  229.629   48.161  210.666   51.560  359.388  134.874  127.144   16.639  157.650   35.155 -30.50639 38.89380 
1 1 1   22   21   11 o   71.664   21.253   68.285   40.764   47.239   42.883  265.592  131.305   62.986   22.072  134.124   37.658 -71.13809 43.64925 
1 1 1   22   21   12 o  246.716   27.427  825.818  166.119  825.818  166.119   0.0000   0.0000  246.716   27.427  ?   ?  0.000000 27.42745 
1 1 1   22   21   13 o  274.320   28.185  1024.60  190.329  1024.60  190.329   0.0000   0.0000  274.320   28.185  ?   ?  0.000000 28.18484 
1 1 1   22   21   14 o  247.962   13.720  785.183   84.626  751.826   96.254  898.758  177.610  241.636   16.043  256.608   28.181 -14.97124 32.42757 
1 1 1   22   21   15 o   60.807   19.952   46.739   34.996   52.829   36.782 -11.4670  113.710   63.979   20.411   72.189   31.943 -8.210663 37.90754 
1 1 1   22   21   16 o  153.062   14.315  301.607   54.081  296.210   59.637  326.592  128.311  151.096   16.051  149.374   35.009 1.721909 38.51318 
1 1 1   22   21   17 o  218.249   14.035  610.571   76.085  655.010   87.588  473.931  153.588  225.378   15.660  180.158   35.402 45.22017 38.71071 
1 1 1   22   21   18 o  278.364   14.860  995.705  102.924  1078.62  121.975  790.698  191.795  288.502   17.006  234.773   33.679 53.72903 37.72887 
1 1 1   22   21   19 o  233.556   14.217  700.723   82.521  730.445   96.225  618.096  160.437  237.426   16.329  208.132   31.884 29.29408 35.82242 
1 1 1   22   21   20 o  268.792   14.509  929.568   97.029  976.283  115.048  814.474  180.581  274.058   16.893  239.552   30.908 34.50655 35.22328 
1 1 1   22   21   21 o  202.673   11.971  524.795   60.316  566.982   88.022  487.452   82.814  208.306   17.071  192.896   17.379 15.41002 24.36100 
1 1 1   22   21   22 o  146.549   17.164  282.996   61.624  268.621   71.090  326.453  123.603  141.047   20.808  147.219   34.264 -6.171555 40.08738 
1 1 1   22   21   23 o  130.887   17.879  227.928   56.909  204.486   64.646  308.661  119.970  121.979   22.034  142.568   34.148 -20.58846 40.63922 
1 1 1   22   21   24 o  290.499   17.454  1109.35  126.026  998.909  164.089  1268.19  196.791  268.979   24.705  301.237   26.428 -32.25815 36.17704 
1 1 1   22   21   25 o  237.504   11.167  719.349   66.231  774.455   98.194  673.354   89.710  243.132   16.267  226.859   15.937 16.27272 22.77261 
1 1 1   22   21   26 o  185.135   11.615  439.880   53.428  474.065   80.844  413.371   71.190  189.184   17.304  177.160   16.274 12.02417 23.75419 
1 1 1   22   21   27 o  185.848   11.058  442.532   51.087  498.753   78.645  401.490   67.195  194.495   16.344  174.823   15.554 19.67165 22.56222 
1 1 1   22   21   28 o   82.729   14.042   90.889   27.972   70.798   49.354  100.396   33.952   71.871   23.699   86.214   16.369 -14.34332 28.80265 
1 1 1   22   21   29 o  157.444   11.699  319.760   45.667  301.876   72.363  331.596   58.871  148.525   20.021  158.729   15.031 -10.20386 25.03531 
1 1 1   22   21   30 o  194.735   11.883  489.608   57.510  457.264   89.629  512.243   74.980  182.844   19.954  197.069   15.357 -14.22418 25.17938 
1 1 1   22   21   31 o  111.734   12.410  163.169   34.041  113.618   58.513  188.520   41.853   87.614   25.319  119.349   14.329 -31.73568 29.09223 
1 1 1   22   21   32 o  102.598   16.069  142.472   39.817   0.0000   0.0000  142.472   39.817  ?   ?   102.598   16.069 0.000000 16.06865 
1 1 1   22   22    0 o  368.299   31.709  1958.84  288.785  1958.84  288.785   0.0000   0.0000  368.299   31.709  ?   ?  0.000000 31.70859 
1 1 1   22   22    1 o  201.168   14.002  521.782   69.901  503.344   76.416  616.289  173.004  196.780   15.681  203.137   35.391 -6.357376 38.70962 
1 1 1   22   22    2 o  166.486   13.974  357.606   57.559  339.717   62.236  463.380  151.335  161.598   15.617  175.948   35.664 -14.35074 38.93390 
1 1 1   22   22    3 o   78.821   18.490   84.071   35.766   80.786   37.154  125.612  132.121   77.111   19.331   98.908   38.021 -21.79778 42.65287 
1 1 1   22   22    4 o  111.095   15.944  161.936   42.965  157.377   45.163  205.375  139.414  109.094   17.143  116.875   39.849 -7.780807 43.38058 
1 1 1   22   22    5 f  385.343   15.843  1911.02  152.456  1807.25  179.004  2185.12  290.919  371.583   19.358  396.875   29.566 -25.29248 35.33956 
1 1 1   22   22    6 o   81.796   20.431   90.969   41.609   91.788   43.831   83.503  132.360   82.044   21.231   91.716   37.156 -9.672035 42.79421 
1 1 1   22   22    7 o  207.106   17.080  557.128   87.548  552.648  102.082  569.589  170.235  204.696   20.235  197.421   35.851 7.274460 41.16771 
1 1 1   22   22    8 o  275.176   14.296  970.068   97.899  949.982  111.779  1036.22  202.845  271.119   16.590  272.927   30.272 -1.808350 34.52003 
1 1 1   22   22    9 o  250.941   13.429  804.514   83.849  748.961   94.343  1013.38  182.931  241.066   15.759  272.611   27.236 -31.54486 31.46651 
1 1 1   22   22   10 o  162.953   14.465  341.849   58.249  319.444   63.334  464.815  148.376  156.803   16.418  179.294   34.391 -22.49062 38.10851 
1 1 1   22   22   11 o  207.757   13.640  552.470   70.372  529.513   77.956  653.525  163.558  202.645   15.523  215.675   31.281 -13.02977 34.92097 
1 1 1   22   22   12 o   86.337   19.108  100.414   40.107  119.079   42.101 -82.7160  131.874   94.352   18.530   68.474   31.850 25.87779 36.84775 
1 1 1   22   22   13 o  257.382   27.776  907.789  175.696  907.789  175.696   0.0000   0.0000  257.382   27.776  ?   ?  0.000000 27.77616 
1 1 1   22   22   14 o  252.061   14.762  816.021   92.515  828.050  105.883  777.201  190.207  252.853   16.866  233.124   33.647 19.72989 37.63749 
1 1 1   22   22   15 o  131.776   15.474  225.760   49.950  213.113   53.777  305.244  134.811  127.335   17.365  142.270   37.438 -14.93504 41.26930 
1 1 1   22   22   16 o   80.812   19.267   88.439   38.333   94.503   40.486   35.921  119.144   83.457   19.736   80.509   34.143 2.948669 39.43694 
1 1 1   22   22   17 f   43.728   17.746   11.529   30.248   2.2569   31.384  132.746  113.477   41.146   17.490   98.856   35.767 -57.71030 39.81383 
1 1 1   22   22   18 o  130.612   15.987  223.028   51.055  219.853   56.101  238.337  123.179  128.949   17.905  125.209   36.895 3.740189 41.01028 
1 1 1   22   22   19 o  232.087   13.749  692.086   79.331  710.706   91.779  637.071  157.758  234.158   15.788  211.285   30.806 22.87296 34.61619 
1 1 1   22   22   20 o   63.058   20.362   51.865   36.520   40.408   38.674  146.205  110.980   58.526   20.916  100.935   35.499 -42.40915 41.20242 
1 1 1   22   22   21 o  234.341   13.958  707.909   81.312  728.850   94.800  649.625  158.157  236.554   16.145  212.346   30.719 24.20726 34.70271 
1 1 1   22   22   22 o  192.884   17.390  489.880   82.862  547.281  100.826  370.439  145.443  202.150   20.245  153.044   38.182 49.10606 43.21693 
1 1 1   22   22   23 o  297.281   19.215  1174.34  141.882  1297.82  186.997  1006.81  217.814  306.782   24.617  258.715   34.580 48.06757 42.44677 
1 1 1   22   22   24 o  115.532   11.388  171.900   32.427  208.480   52.148  148.838   41.406  125.115   17.141  105.773   16.191 19.34107 23.57940 
1 1 1   22   22   25 o  357.647   13.387  1648.49  119.562  1721.63  172.623  1581.06  165.758  359.067   19.323  344.003   19.375 15.06476 27.36332 
1 1 1   22   22   26 o  188.743   11.494  457.318   53.918  490.248   81.319  431.485   72.026  192.329   17.110  180.954   16.108 11.37527 23.49950 
1 1 1   22   22   27 o  170.219   11.110  371.874   46.964  428.859   72.810  331.273   61.459  180.090   16.369  158.462   15.740 21.62857 22.70848 
1 1 1   22   22   28 o   83.435   13.682   92.267   27.518  131.665   49.978   75.128   32.964   96.783   21.260   73.800   18.039 22.98275 27.88186 
1 1 1   22   22   29 o  202.096   11.714  526.409   58.866  552.901   90.576  507.036   77.454  202.883   18.067  195.730   15.986 7.153748 24.12409 
1 1 1   22   22   30 o  195.199   12.142  493.192   58.892  441.879   90.995  530.177   77.254  178.814   20.765  200.171   15.578 -21.35692 25.95839 
1 1 1   22   22   31 o  152.632   11.199  301.047   42.386  290.464   70.576  307.018   53.010  144.747   20.065  152.687   14.061 -7.940323 24.50132 
1 1 1   22   22   32 o   62.744   26.685   26.549   73.137   0.0000   0.0000   26.549   73.137  ?   ?    62.744   26.685 0.000000 26.68532 
1 1 1   22   23    0 o  127.645   15.286  214.402   47.755  208.142   50.137  275.643  156.808  125.260   16.424  126.808   42.264 -1.547569 45.34350 
1 1 1   22   23    1 f   78.750   30.786   71.023   87.753   71.023   87.753   0.0000   0.0000   78.750   30.786  ?   ?  0.000000 30.78629 
1 1 1   22   23    2 o  230.300   13.892  684.723   79.519  683.490   88.116  690.136  184.575  229.185   15.487  212.960   35.990 16.22487 39.18077 
1 1 1   22   23    3 o  217.310   13.100  606.976   70.755  560.947   77.300  844.808  175.710  207.964   14.985  243.483   29.501 -35.51901 33.08845 
1 1 1   22   23    4 o   49.124   18.194   25.680   29.626   31.401   30.411 -80.8774  131.243   52.032   18.552   67.319   31.466 -15.28703 36.52816 
1 1 1   22   23    5 o  241.225   14.146  749.326   84.840  751.465   95.196  741.065  187.051  240.596   15.935  224.238   34.511 16.35783 38.01200 
1 1 1   22   23    6 o  189.214   13.675  460.614   64.180  471.018   70.135  407.032  159.163  190.857   14.832  161.291   39.768 29.56651 42.44394 
1 1 1   22   23    7 o  243.230   16.463  768.433   99.403  646.042  117.256  1081.09  187.411  219.853   21.638  279.895   27.155 -60.04152 34.72161 
1 1 1   22   23    8 o  137.910   15.162  247.249   51.354  252.460   54.870  210.455  145.801  139.027   16.103  117.643   40.727 21.38480 43.79480 
1 1 1   22   23    9 o   72.310   19.160   70.792   35.152   63.374   36.405  172.992  135.130   68.680   20.007  109.308   39.093 -40.62821 43.91524 
1 1 1   22   23   10 o  191.702   22.213  492.902  104.366  537.616  135.538  427.776  163.576  196.175   28.501  166.310   39.898 29.86546 49.03247 
1 1 1   22   23   11 o  241.053   15.712  751.171   94.065  751.171   94.065   0.0000   0.0000  241.053   15.712  ?   ?  0.000000 15.71246 
1 1 1   22   23   12 o  186.353   14.522  447.728   67.045  469.319   74.203  351.737  156.461  190.294   15.757  149.783   40.748 40.51088 43.68841 
1 1 1   22   23   13 o  267.956   28.056  994.383  184.949  994.383  184.949   0.0000   0.0000  267.956   28.056  ?   ?  0.000000 28.05590 
1 1 1   22   23   14 o  197.368   28.951  546.729  138.449  546.729  138.449   0.0000   0.0000  197.368   28.951  ?   ?  0.000000 28.95123 
1 1 1   22   23   15 o  291.094   14.974  1092.02  108.478  1117.82  126.118  1018.65  212.673  292.996   17.314  266.285   32.668 26.71121 36.97243 
1 1 1   22   23   16 o   84.810   18.793   97.438   38.754   94.803   40.626  124.089  129.184   83.384   19.805   97.972   37.611 -14.58809 42.50673 
1 1 1   22   23   17 o  198.694   14.263  509.261   70.298  521.168   79.007  464.006  154.027  200.230   15.933  175.258   36.385 24.97189 39.72025 
1 1 1   22   23   18 o  103.792   16.557  142.823   41.473  123.412   43.921  302.483  125.967   95.461   19.092  140.716   35.770 -45.25450 40.54631 
1 1 1   22   23   19 o  240.787   13.926  747.100   83.376  754.523   95.806  723.931  169.263  240.784   16.025  223.968   31.104 16.81639 34.98904 
1 1 1   22   23   20 o   94.139   18.608  120.087   42.194  113.121   45.305  165.638  115.854   90.663   20.493  105.091   36.309 -14.42850 41.69265 
1 1 1   22   23   21 o  117.628   17.353  184.401   49.441  185.271   53.997  179.885  122.975  117.155   19.116  108.132   37.405 9.023262 42.00683 
1 1 1   22   23   22 f  132.527   17.845  234.434   57.555  237.548   65.138  223.348  122.914  132.170   20.392  118.394   37.263 13.77670 42.47747 
1 1 1   22   23   23 o  288.955   18.067  1105.66  129.710  1060.84  166.839  1174.15  206.239  276.659   24.399  284.978   29.403 -8.319183 38.20805 
1 1 1   22   23   24 o  140.314   16.697  261.318   57.356  316.204   64.510   54.225  125.307  154.331   17.022   81.872   34.878 72.45827 38.80976 
1 1 1   22   23   25 o  275.325   15.384  991.454  105.348  1051.23  125.513  848.946  193.794  281.237   17.966  235.497   33.933 45.73994 38.39561 
1 1 1   22   23   26 o   80.971   21.079   92.144   43.039   91.489   46.794   95.740  109.649   80.378   22.450   86.361   34.211 -5.983704 40.91940 
1 1 1   22   23   27 o   85.022   13.567   95.658   27.836  133.101   48.567   77.340   33.969   97.630   20.570   74.801   18.329 22.82899 27.55136 
1 1 1   22   23   28 o  168.681   10.985  365.731   46.021  446.267   71.991  310.079   59.845  183.671   15.851  152.865   15.910 30.80579 22.45889 
1 1 1   22   23   29 o  199.583   11.384  513.161   56.504  584.098   87.277  461.975   74.138  209.253   16.845  186.510   16.075 22.74307 23.28434 
1 1 1   22   23   30 o  114.517   12.141  171.075   34.190  159.863   58.676  176.838   42.070  105.237   22.972  115.211   14.977 -9.974464 27.42336 
1 1 1   22   23   31 o  142.144   15.350  269.570   53.621   0.0000   0.0000  269.570   53.621  ?   ?   142.144   15.350 0.000000 15.34996 
1 1 1   22   24    0 o  121.909   15.045  196.688   44.831  207.613   46.960   84.365  150.576  125.150   15.348   88.938   38.069 36.21195 41.04602 
1 1 1   22   24    1 o   80.488   17.885   88.878   35.014   89.795   36.020   73.150  149.235   80.775   18.283   87.872   37.763 -7.096794 41.95614 
1 1 1   22   24    2 o  146.432   30.704  321.599  108.685  321.599  108.685   0.0000   0.0000  146.432   30.704  ?   ?  0.000000 30.70351 
1 1 1   22   24    3 o   76.588   18.532   80.531   35.059   80.291   36.190   84.189  141.316   76.353   19.045   89.613   37.548 -13.25951 42.10180 
1 1 1   22   24    4 o   86.054   17.593  100.379   36.531   94.931   37.736  181.586  145.699   83.313   18.608  108.151   40.289 -24.83771 44.37840 
1 1 1   22   24    5 o   98.119   16.253  128.232   38.429  118.905   39.940  244.601  141.079   93.893   17.683  122.561   40.052 -28.66785 43.78214 
1 1 1   22   24    6 o  164.226   13.676  348.826   55.575  330.511   59.602  470.804  153.817  159.193   15.177  174.881   36.405 -15.68764 39.44218 
1 1 1   22   24    7 o  165.368   14.164  354.256   57.925  335.975   62.363  469.165  156.353  160.323   15.781  174.366   37.051 -14.04338 40.27166 
1 1 1   22   24    8 o  257.751   17.580  871.329  112.476  818.585  135.733  986.924  200.941  246.241   22.316  261.445   31.406 -15.20445 38.52731 
1 1 1   22   24    9 o  114.980   40.845  205.231  147.278   0.0000   0.0000  205.231  147.278  ?   ?   114.980   40.845 0.000000 40.84538 
1 1 1   22   24   10 o  188.735   15.743  463.612   73.519  463.612   73.519   0.0000   0.0000  188.735   15.743  ?   ?  0.000000 15.74276 
1 1 1   22   24   11 o   44.940   17.682   16.477   29.108   15.029   29.796   46.752  136.238   44.709   17.795   84.810   36.254 -40.10083 40.38560 
1 1 1   22   24   12 o  195.928   13.983  495.106   67.967  478.441   74.589  576.651  164.994  191.789   15.712  196.772   34.854 -4.982712 38.23140 
1 1 1   22   24   13 o  100.931   16.318  135.031   39.726  128.083   41.397  215.890  141.225   97.804   17.597  117.583   40.107 -19.77865 43.79783 
1 1 1   22   24   14 o  135.317   33.725  275.418  113.552  275.418  113.552   0.0000   0.0000  135.317   33.725  ?   ?  0.000000 33.72462 
1 1 1   22   24   15 o  165.613   14.408  355.393   58.993  346.160   63.909  408.583  153.394  162.784   15.926  161.473   38.571 1.310623 41.72926 
1 1 1   22   24   16 o  204.493   14.118  540.154   71.653  532.349   79.666  573.200  163.929  202.100   15.914  195.551   34.847 6.548111 38.30902 
1 1 1   22   24   17 o  203.168   13.926  533.084   70.225  503.818   77.730  663.057  163.809  196.459   15.983  213.188   31.738 -16.72897 35.53481 
1 1 1   22   24   18 o   57.393   19.479   41.416   33.311   47.609   34.574 -38.7137  124.363   60.555   19.830   69.635   31.861 -9.080418 37.52753 
1 1 1   22   24   19 o  210.977   14.216  576.495   74.461  578.659   84.015  568.569  160.779  210.305   16.120  193.921   34.464 16.38359 38.04751 
1 1 1   22   24   20 o  148.967   15.427  290.904   56.555  316.327   62.274  171.247  135.101  154.963   16.339  105.724   38.907 49.23917 42.19867 
1 1 1   22   24   21 o  102.952   17.917  143.107   44.390  141.602   47.594  153.173  123.065  101.764   19.437  101.006   37.139 0.7586517 41.91825 
1 1 1   22   24   22 o  150.381   16.984  300.226   62.663  272.153   70.847  401.107  134.302  141.106   20.723  160.879   34.467 -19.77315 40.21741 
1 1 1   22   24   23 o   78.983   21.425   87.487   43.328   79.030   46.521  142.838  119.017   75.208   22.795   97.743   36.413 -22.53567 42.95964 
1 1 1   22   24   24 o  146.247   15.735  282.555   56.562  295.016   62.565  226.807  132.331  148.718   17.162  116.368   38.828 32.34988 42.45138 
1 1 1   22   24   25 o  137.748   16.433  252.561   55.412  242.624   61.369  296.422  128.930  133.681   18.911  133.816   37.226 -0.1348419 41.75389 
1 1 1   22   24   26 o  200.718   14.846  528.268   73.883  577.362   85.636  385.325  146.124  208.681   16.570  151.440   38.542 57.24074 41.95303 
1 1 1   22   24   27 o  152.998   16.063  311.086   60.453  319.134   68.414  282.414  129.128  153.720   18.174  128.999   37.708 24.72107 41.85938 
1 1 1   22   24   28 o   53.600   20.734   29.479   39.481   37.335   42.502 -19.9669  106.633   57.406   21.683   65.128   29.684 -7.722317 36.76008 
1 1 1   22   24   29 o   78.778   21.960   89.064   44.821   69.329   49.481  179.272  105.790   70.574   23.742  104.042   34.716 -33.46737 42.05849 
1 1 1   22   24   30 o   64.059   28.796  -2.8970   96.253   0.0000   0.0000  -2.8970   96.253  ?   ?    64.059   28.796 0.000000 28.79553 
1 1 1   22   25    0 o   56.565   18.905   42.206   31.372   40.993   32.080   68.795  150.212   56.114   19.115   84.591   37.098 -28.47739 41.73348 
1 1 1   22   25    1 o   43.106   17.004   15.931   26.982   14.810   27.458   47.471  145.609   42.875   17.077   81.867   36.190 -38.99219 40.01661 
1 1 1   22   25    2 o   46.615   17.829   21.825   28.960   26.462   29.462 -110.9444  157.657   48.858   18.133   68.479   32.731 -19.62026 37.41808 
1 1 1   22   25    3 o  175.380   28.046  451.833  118.692  451.833  118.692   0.0000   0.0000  175.380   28.046  ?   ?  0.000000 28.04641 
1 1 1   22   25    4 o   66.956   19.098   61.723   33.496   57.902   34.467  126.695  142.136   65.070   19.598   95.429   38.559 -30.35865 43.25365 
1 1 1   22   25    5 o   42.375   16.918   13.605   27.007   11.309   27.493   76.722  144.156   41.715   16.922   88.032   37.453 -46.31638 41.09853 
1 1 1   22   25    6 o  108.809   16.832  158.491   44.259  173.732   46.587   17.317  141.784  113.995   16.875   79.673   35.441 34.32249 39.25349 
1 1 1   22   25    7 o  123.302   15.398  200.432   46.379  199.492   48.873  208.943  147.063  122.598   16.373  113.008   40.743 9.590065 43.90977 
1 1 1   22   25    8 f  202.670   37.314  643.757  181.889   0.0000   0.0000  643.757  181.889  ?   ?   202.670   37.314 0.000000 37.31389 
1 1 1   22   25    9 o  188.299   17.381  468.646   80.805  472.897   92.118  454.459  168.292  187.531   19.978  166.120   40.853 21.41109 45.47618 
1 1 1   22   25   10 o  208.725   13.592  562.871   70.458  554.999   77.092  602.789  173.603  206.473   15.056  197.368   36.570 9.105606 39.54789 
1 1 1   22   25   11 o   74.532   19.091   76.225   35.689   75.606   36.883   85.323  141.390   74.153   19.615   90.528   37.714 -16.37421 42.50969 
1 1 1   22   25   12 o  125.882   15.612  208.497   48.024  210.476   50.714  191.316  149.435  126.121   16.498  110.552   40.877 15.56875 44.08086 
1 1 1   22   25   13 o  116.884   15.894  180.463   45.188  164.575   47.404  338.552  149.532  110.812   17.728  143.655   40.135 -32.84294 43.87598 
1 1 1   22   25   14 o   53.079   19.021   32.944   32.004   32.944   32.004   0.0000   0.0000   53.079   19.021  ?   ?  0.000000 19.02069 
1 1 1   22   25   15 o  180.060   30.269  473.595  131.275  473.595  131.275   0.0000   0.0000  180.060   30.269  ?   ?  0.000000 30.26942 
1 1 1   22   25   16 o   34.666   15.450  -8.7925   27.081 -13.8245   27.668  106.079  132.192   33.670   15.258   92.597   37.266 -58.92709 40.26862 
1 1 1   22   25   17 f  161.817   14.686  341.550   58.697  340.937   63.378  345.243  155.631  161.052   15.969  143.220   41.264 17.83195 44.24610 
1 1 1   22   25   18 o  161.596   14.949  341.402   59.640  376.807   65.038  154.263  149.526  169.530   15.536  102.446   40.149 67.08418 43.04977 
1 1 1   22   25   19 o   99.625   17.678  134.141   42.369  127.497   44.661  193.924  133.973   96.447   19.218  109.779   38.961 -13.33186 43.44318 
1 1 1   22   25   20 o   49.400   18.748   24.992   31.871   22.006   32.986   66.922  123.608   48.651   18.915   83.520   35.062 -34.86872 39.83898 
1 1 1   22   25   21 o   37.113   16.315  -5.0892   29.207 -10.4038   30.126   77.980  119.105   36.203   16.203   84.471   34.854 -48.26803 38.43592 
1 1 1   22   25   22 o   39.487   17.239  -3.1523   32.110  -3.0160   33.357  -4.8740  118.566   40.274   17.577   71.081   31.955 -30.80750 36.46986 
1 1 1   22   25   23 o   70.914   21.372   69.942   40.979   68.707   43.451   79.876  123.244   70.461   22.152   84.878   35.273 -14.41709 41.65150 
1 1 1   22   25   24 o  174.586   15.213  401.268   65.662  444.913   73.843  236.383  143.526  183.205   16.311  116.490   40.403 66.71516 43.57176 
1 1 1   22   25   25 o   98.483   18.848  133.629   44.665  128.354   47.804  169.881  125.321   95.656   20.620  102.267   37.497 -6.611206 42.79257 
1 1 1   22   25   26 o  127.081   17.624  218.427   54.423  246.922   59.744   79.492  131.923  134.902   18.199   85.095   35.999 49.80652 40.33768 
1 1 1   22   25   27 o   91.274   20.282  117.306   45.029  117.550   48.718  115.878  117.951   90.683   21.786   89.697   35.498 0.9861450 41.65042 
1 1 1   22   25   28 o   62.369   21.491   51.589   40.574   61.173   43.517 -12.1774  112.246   66.730   22.266   67.172   30.553 -0.4417877 37.80588 
1 1 1   22   25   29 o   49.115   20.208   16.575   39.900   10.205   42.758   59.502  110.995   48.446   20.495   77.282   32.872 -28.83608 38.73719 
1 1 1   22   26    0 o   50.723   18.259   31.552   29.525   33.369   30.060 -18.1776  157.219   51.723   18.445   73.846   34.491 -22.12288 39.11276 
1 1 1   22   26    1 f  100.557   17.001  138.700   41.168  136.471   42.590  170.413  160.651   99.303   17.830   98.417   40.528 0.8854141 44.27667 
1 1 1   22   26    2 o   44.067   17.146   18.365   27.118   16.556   27.566   72.693  151.096   43.508   17.179   84.556   37.142 -41.04818 40.92252 
1 1 1   22   26    3 o   38.418   16.131   5.4230   26.169   5.4230   26.169   0.0000   0.0000   38.418   16.131  ?   ?  0.000000 16.13076 
1 1 1   22   26    4 f   73.491   28.244   68.527   72.901  108.317   81.096 -99.0487  166.425   85.407   30.312   70.703   33.748 14.70450 45.36240 
1 1 1   22   26    5 o  170.870   13.969  382.408   59.085  375.172   63.237  432.142  165.784  168.527   15.189  155.176   41.832 13.35178 44.50410 
1 1 1   22   26    6 o   68.870   18.941   65.847   33.590   68.953   34.477   7.7522  149.116   70.396   19.118   78.344   35.470 -7.948372 40.29411 
1 1 1   22   26    7 o   43.563   17.643   13.118   29.834   19.461   30.553 -116.9201  138.332   46.398   18.158   63.797   30.538 -17.39876 35.52839 
1 1 1   22   26    8 o  190.945   13.768  474.680   65.208  460.448   70.526  558.517  171.173  187.204   15.218  184.472   38.407 2.731720 41.31171 
1 1 1   22   26    9 o  140.375   18.842  266.733   64.381  319.558   70.421  -2.1972  158.892  153.895   18.709   79.919   36.352 73.97593 40.88377 
1 1 1   22   26   10 o   79.143   18.863   86.578   36.751   79.638   38.008  186.393  144.140   75.658   19.864  107.105   40.038 -31.44753 44.69506 
1 1 1   22   26   11 o  125.721   15.440  208.895   47.454  197.178   49.862  321.487  154.571  121.448   16.899  135.928   41.625 -14.48054 44.92496 
1 1 1   22   26   12 o  113.755   16.672  172.983   45.953  150.488   48.159  401.758  153.581  104.915   19.085  155.301   39.507 -50.38586 43.87573 
1 1 1   22   26   13 o  101.603   17.086  139.007   41.813  148.995   43.501   17.735  151.578  105.241   17.143   81.345   36.381 23.89622 40.21766 
1 1 1   22   26   14 o   53.096   18.686   34.250   30.753   38.960   31.492 -62.4853  142.720   55.523   18.940   70.554   32.922 -15.03013 37.98147 
1 1 1   22   26   15 o  108.430   33.898  184.409  101.908  184.409  101.908   0.0000   0.0000  108.430   33.898  ?   ?  0.000000 33.89765 
1 1 1   22   26   16 o  220.130   14.077  630.094   76.975  620.021   84.476  679.376  186.855  217.333   15.670  205.940   37.724 11.39285 40.84958 
1 1 1   22   26   17 o  205.823   14.224  551.837   72.660  540.474   79.780  607.110  175.961  202.650   15.892  194.320   37.621 8.329498 40.84019 
1 1 1   22   26   18 o  126.825   16.275  214.071   50.355  214.730   53.454  208.874  150.053  126.493   17.382  111.272   40.995 15.22146 44.52815 
1 1 1   22   26   19 o  217.715   14.457  618.783   78.152  680.837   87.036  360.510  177.562  227.757   15.393  139.301   44.890 88.45607 47.45576 
1 1 1   22   26   20 o   80.316   19.396   89.799   38.462   94.590   40.127   35.628  134.928   82.330   19.767   79.799   35.074 2.530617 40.26126 
1 1 1   22   26   21 o  115.333   16.953  178.948   47.370  189.792   50.467   98.632  137.342  118.525   17.584   89.529   37.223 28.99560 41.16732 
1 1 1   22   26   22 f  116.912   20.139  189.131   56.675  241.486   62.605 -48.6127  133.409  132.805   19.454   68.853   32.029 63.95174 37.47406 
1 1 1   22   26   23 o   95.300   20.707  127.719   47.871  134.052   51.341   85.562  132.457   97.208   21.700   86.277   36.262 10.93099 42.25854 
1 1 1   22   26   24 o   87.794   20.097  108.299   43.109  108.856   45.756  103.897  128.600   87.581   21.158   88.708   36.363 -1.127541 42.07088 
1 1 1   22   26   25 f  141.449   16.271  267.503   56.426  269.353   61.447  257.552  142.527  141.027   17.847  119.562   40.294 21.46501 44.06989 
1 1 1   22   26   26 o   63.696   20.958   55.186   38.605   55.132   40.652   55.678  123.202   63.917   21.520   79.280   34.192 -15.36291 40.40059 
1 1 1   22   26   27 o   77.303   21.297   85.563   42.425   88.223   45.168   65.634  123.632   78.243   22.128   80.511   34.479 -2.267365 40.96911 
1 1 1   22   26   28 o   89.883   20.767  115.432   45.675  113.611   49.415  126.113  119.686   88.386   22.369   90.416   35.766 -2.029968 42.18512 
1 1 1   22   27    0 o   69.676   20.330   70.608   37.564   74.193   38.509   0.2417  170.592   71.291   20.522   75.549   35.491 -4.258347 40.99708 
1 1 1   22   27    1 o  198.968   14.177  526.415   69.982  521.728   74.958  558.241  195.324  197.050   15.354  160.321   46.238 36.72887 48.72076 
1 1 1   22   27    2 o   37.091   15.880   2.3031   26.216   2.0147   26.586   12.444  157.665   37.221   15.966   76.363   35.277 -39.14213 38.72131 
1 1 1   22   27    3 o   48.907   18.082   27.782   29.238   27.347   29.750   40.119  158.336   48.886   18.206   80.038   36.360 -31.15175 40.66380 
1 1 1   22   27    4 o   65.100   18.904   59.538   32.549   59.538   32.549   0.0000   0.0000   65.100   18.904  ?   ?  0.000000 18.90399 
1 1 1   22   27    5 o   88.179   29.469  120.742   76.225  143.175   86.780   44.981  159.474   94.391   31.440   81.953   36.930 12.43845 48.50108 
1 1 1   22   27    6 o   64.060   19.272   57.072   33.342   64.592   34.169 -92.5974  152.446   67.824   19.269   67.691   32.307 0.1327286 37.61721 
1 1 1   22   27    7 o  102.984   17.096  144.558   42.424  158.230   44.051 -30.3578  157.562  107.936   16.898   74.592   34.735 33.34358 38.62684 
1 1 1   22   27    8 o  133.977   15.654  239.423   51.385  239.423   51.385   0.0000   0.0000  133.977   15.654  ?   ?  0.000000 15.65376 
1 1 1   22   27    9 o  105.749   16.007  150.378   40.949  153.276   42.587  114.847  149.113  106.532   16.545   92.028   38.566 14.50412 41.96486 
1 1 1   22   27   10 o  161.958   18.159  354.717   72.176  390.868   80.299  202.653  164.688  169.238   19.348  107.427   42.126 61.81085 46.35653 
1 1 1   22   27   11 o  100.668   16.709  137.090   40.532  138.431   42.063  119.667  151.617  100.895   17.318   93.570   39.023 7.325066 42.69375 
1 1 1   22   27   12 o   98.956   16.883  132.678   40.223  129.339   41.697  177.418  152.622   97.259   17.825  103.536   40.566 -6.276848 44.30965 
1 1 1   22   27   13 o  108.723   15.853  158.169   41.776  147.596   43.345  296.338  156.692  104.346   17.236  127.343   42.239 -22.99701 45.62084 
1 1 1   22   27   14 o   93.205   17.772  118.872   39.854  115.958   41.231  160.304  155.474   91.652   18.650  100.827   40.472 -9.175522 44.56232 
1 1 1   22   27   15 o  141.486   15.301  264.927   53.199  301.518   56.286 -41.5354  162.893  151.128   15.117   75.779   35.297 75.34923 38.39836 
1 1 1   22   27   16 o  124.184   33.263  246.446  105.223  246.446  105.223   0.0000   0.0000  124.184   33.263  ?   ?  0.000000 33.26325 
1 1 1   22   27   17 o   64.582   19.468   57.367   34.000   49.278   34.851  217.005  154.823   60.752   19.909  110.964   41.493 -50.21206 46.02211 
1 1 1   22   27   18 o  282.015   14.456  1040.30  101.465  1031.71  114.304  1072.24  220.352  278.959   16.482  260.389   34.756 18.57071 38.46553 
1 1 1   22   27   19 o  160.200   14.941  338.542   59.082  340.948   63.211  321.906  166.209  160.144   16.021  130.667   43.511 29.47688 46.36681 
1 1 1   22   27   20 o  133.240   15.292  235.669   49.958  242.364   52.724  176.857  156.268  134.783   15.976  102.922   40.819 31.86017 43.83413 
1 1 1   22   27   21 o   81.304   19.583   92.817   39.287  106.758   40.858 -78.1230  143.069   87.446   19.233   67.691   32.014 19.75569 37.34769 
1 1 1   22   27   22 o  114.246   19.079  179.978   52.512  177.770   56.467  194.104  142.830  112.533   20.862  105.732   39.791 6.801430 44.92828 
1 1 1   22   27   23 o  123.960   18.676  210.726   56.018  202.082   60.752  259.788  144.739  119.951   21.049  119.186   40.604 0.7660217 45.73536 
1 1 1   22   27   24 o  130.490   16.706  229.484   53.187  222.386   57.238  274.368  143.937  127.386   18.537  122.160   40.482 5.226242 44.52426 
1 1 1   22   27   25 o  160.628   15.393  343.171   60.986  355.958   66.724  278.272  150.320  162.790   16.648  121.400   41.379 41.38907 44.60226 
1 1 1   22   27   26 o   37.947   16.988  -9.8330   33.135  -8.4019   34.269 -30.3720  129.828   38.996   17.380   68.553   31.789 -29.55734 36.22979 
1 1 1   22   27   27 o  167.220   15.062  372.060   62.223  360.855   68.567  424.340  148.110  163.268   17.070  154.681   38.497 8.587509 42.11164 
1 1 1   22   27   28 o  117.517   20.505  195.635   57.985  202.461   64.268  165.763  134.454  118.144   22.608   97.227   38.080 20.91713 44.28563 
1 1 1   22   28    0 o   50.061   18.141   31.704   29.208   30.060   29.618   89.942  176.260   49.412   18.212   82.103   37.699 -32.69153 41.86768 
1 1 1   22   28    1 o   79.931   20.253   94.084   40.475   88.623   41.593  191.624  175.781   77.186   21.014   94.883   40.882 -17.69669 45.96639 
1 1 1   22   28    2 o   85.848   17.633  104.182   36.537  110.661   37.417 -28.6986  169.448   88.598   17.533   72.397   34.415 16.20110 38.62335 
1 1 1   22   28    3 o  116.980   15.601  186.344   44.436  171.443   45.933  403.962  175.531  111.253   17.079  133.809   44.719 -22.55627 47.86921 
1 1 1   22   28    4 o   46.788   17.672   24.299   28.232   25.169   28.690  -2.2941  158.658   47.341   17.830   74.357   34.702 -27.01583 39.01464 
1 1 1   22   28    5 f   84.372   19.045  101.408   39.175  101.408   39.175   0.0000   0.0000   84.372   19.045  ?   ?  0.000000 19.04505 
1 1 1   22   28    6 o   75.421   28.509   80.896   73.509   71.655   82.121  118.155  164.891   74.046   29.520   89.690   39.113 -15.64400 49.00266 
1 1 1   22   28    7 o   66.503   19.079   62.518   33.334   62.518   33.334   0.0000   0.0000   66.503   19.079  ?   ?  0.000000 19.07869 
1 1 1   22   28    8 o   72.489   18.740   74.277   34.171   79.811   35.041 -33.0746  154.325   75.145   18.738   72.499   33.961 2.646072 38.78761 
1 1 1   22   28    9 o  101.500   16.779  140.778   41.043  141.825   42.519  126.477  157.160  101.575   17.388   92.051   39.133 9.523933 42.82215 
1 1 1   22   28   10 o   86.564   18.776  105.075   39.419  116.473   40.804 -54.3639  152.606   91.375   18.516   70.755   33.341 20.62048 38.13762 
1 1 1   22   28   11 o  113.833   18.874  179.438   51.773  188.857   54.820  101.693  157.500  116.442   19.545   89.308   38.588 27.13377 43.25589 
1 1 1   22   28   12 o  184.211   13.984  446.085   63.846  459.673   68.370  353.481  178.487  186.451   14.806  131.763   45.088 54.68759 47.45726 
1 1 1   22   28   13 o  235.387   13.964  726.547   81.712  711.571   89.546  801.069  199.754  231.604   15.573  217.487   38.172 14.11700 41.22693 
1 1 1   22   28   14 o   76.821   18.924   82.871   36.066   76.853   37.031  193.847  159.026   73.759   19.723  104.327   41.240 -30.56805 45.71401 
1 1 1   22   28   15 o  149.568   15.255  297.304   56.180  320.745   59.502  104.766  170.531  155.215   15.561   91.507   39.845 63.70801 42.77536 
1 1 1   22   28   16 o  105.544   33.436  183.028   98.831  183.028   98.831   0.0000   0.0000  105.544   33.436  ?   ?  0.000000 33.43575 
1 1 1   22   28   17 o   88.960   30.399  121.655   81.134  157.843   94.206   17.722  159.650   98.856   32.750   79.874   36.373 18.98238 48.94398 
1 1 1   22   28   18 o  173.582   14.415  397.175   61.917  398.954   65.963  383.990  179.543  173.336   15.400  138.429   45.181 34.90694 47.73328 
1 1 1   22   28   19 o  112.947   16.885  173.071   46.162  179.166   48.162  104.226  161.868  114.704   17.357   90.567   39.126 24.13691 42.80301 
1 1 1   22   28   20 o  150.436   14.670  299.609   54.409  284.856   57.423  429.175  170.172  145.867   16.029  150.415   43.094 -4.547714 45.97836 
1 1 1   22   28   21 o  221.925   14.960  650.938   82.426  700.247   91.366  435.321  191.056  229.255   16.061  145.357   46.535 83.89769 49.22876 
1 1 1   22   28   22 o  143.796   15.751  276.587   55.635  287.777   59.383  196.236  159.125  146.206   16.557  104.092   41.220 42.11400 44.42062 
1 1 1   22   28   23 f   71.104   21.317   72.035   40.847   72.754   42.596   63.814  144.026   71.397   21.849   82.512   36.253 -11.11445 42.32806 
1 1 1   22   28   24 o  127.998   16.261  221.101   50.802  227.808   54.119  171.372  147.367  129.410   17.171   99.133   39.537 30.27743 43.10492 
1 1 1   22   28   25 o  122.191   17.273  203.951   51.238  212.216   54.629  143.507  147.730  124.142   18.159   93.914   38.789 30.22807 42.82881 
1 1 1   22   28   26 o   84.878   20.698  103.819   43.476  107.780   45.716   66.343  140.627   86.190   21.351   81.329   35.776 4.861465 41.66241 
1 1 1   22   28   27 o  117.146   18.154  190.239   51.389  200.866   54.890  114.820  146.226  119.909   18.962   88.195   37.626 31.71379 42.13425 
1 1 1   22   28   28 o  105.907   40.342  223.619  147.904   0.0000   0.0000  223.619  147.904  ?   ?   105.907   40.342 0.000000 40.34185 
1 1 1   22   29    0 o   53.054   18.753   38.279   31.006   40.851   31.435 -53.9920  188.289   54.321   18.905   69.217   33.726 -14.89611 38.66357 
1 1 1   22   29    1 o   60.177   18.706   52.390   31.084   47.858   31.544  204.484  182.750   57.904   18.940   92.360   40.700 -34.45596 44.89126 
1 1 1   22   29    2 o   46.342   18.231   22.058   30.936   24.154   31.405 -46.6937  179.839   47.351   18.443   70.405   33.986 -23.05375 38.66777 
1 1 1   22   29    3 o   61.795   18.537   54.868   30.881   49.032   31.363  240.530  176.890   58.810   18.857  100.289   42.015 -41.47855 46.05251 
1 1 1   22   29    4 o   80.556   18.435   93.312   36.282   86.018   37.050  263.827  179.132   76.838   19.327  104.784   42.931 -27.94545 47.08061 
1 1 1   22   29    5 o   80.378   28.997  103.445   74.508   96.356   82.439  135.065  174.100   78.553   30.072   88.735   39.382 -10.18296 49.55029 
1 1 1   22   29    6 o  130.520   15.915  232.370   50.797  232.370   50.797   0.0000   0.0000  130.520   15.915  ?   ?  0.000000 15.91466 
1 1 1   22   29    7 o  131.396   15.809  234.703   50.831  248.923   53.134   81.260  174.539  135.191   16.052   84.150   38.208 51.04103 41.44319 
1 1 1   22   29    8 o   85.293   17.640  102.164   36.332  102.424   37.224   96.933  166.968   85.190   18.058   85.914   38.321 -0.7234039 42.36297 
1 1 1   22   29    9 o  125.640   15.480  213.347   47.542  212.124   49.540  227.594  169.087  124.784   16.287  104.736   42.148 20.04755 45.18557 
1 1 1   22   29   10 o   53.432   18.346   37.347   29.557   32.736   30.067  169.721  161.096   51.351   18.433   96.504   40.234 -45.15305 44.25535 
1 1 1   22   29   11 o   73.887   18.806   77.589   34.786   82.146   35.655 -12.5896  158.598   76.014   18.871   74.447   34.728 1.567093 39.52389 
1 1 1   22   29   12 o  110.753   19.167  171.973   51.092  183.637   53.700   60.570  165.961  114.302   19.514   83.260   37.582 31.04239 42.34665 
1 1 1   22   29   13 o   96.132   16.935  127.159   39.168  132.029   40.326   45.966  164.663   97.900   17.118   81.735   37.111 16.16590 40.86903 
1 1 1   22   29   14 o  218.932   14.283  633.437   77.660  631.567   84.254  643.999  200.249  217.444   15.621  181.637   44.499 35.80711 47.16112 
1 1 1   22   29   15 o  138.393   14.988  255.792   50.968  255.726   53.307  256.491  173.980  137.912   15.762  111.806   43.448 26.10626 46.21898 
1 1 1   22   29   16 o  151.834   14.575  306.280   54.585  295.704   57.164  415.599  183.788  148.498   15.651  140.407   45.706 8.091232 48.31173 
1 1 1   22   29   17 o   99.945   33.033  166.776   95.862  166.776   95.862   0.0000   0.0000   99.945   33.033  ?   ?  0.000000 33.03284 
1 1 1   22   29   18 o   91.703   17.671  116.590   38.999  103.430   40.046  358.434  171.670   85.528   19.218  131.937   44.224 -46.40897 48.21896 
1 1 1   22   29   19 o   68.479   19.422   66.370   34.743   64.796   35.501  102.016  168.985   67.668   19.770   89.230   39.235 -21.56205 43.93438 
1 1 1   22   29   20 o   72.769   19.229   75.146   35.467   67.071   36.316  241.923  165.036   68.730   19.971  110.179   42.456 -41.44900 46.91850 
1 1 1   22   29   21 o  176.856   14.833  415.788   64.906  434.700   69.370  282.899  183.888  180.318   15.558  115.227   44.699 65.09135 47.32917 
1 1 1   22   29   22 o  145.582   15.396  284.020   55.122  324.459   58.365 -49.8674  167.707  155.819   15.193   73.092   34.597 82.72727 37.78598 
1 1 1   22   29   23 o  146.027   18.222  293.618   65.001  293.076   70.529  296.676  167.479  144.501   20.089  119.063   43.394 25.43778 47.81861 
1 1 1   22   29   24 o   49.889   18.997   27.336   32.788   26.003   33.632   52.904  147.288   49.646   19.156   79.918   35.794 -30.27191 40.59776 
1 1 1   22   29   25 o   83.454   19.996  100.204   41.127  107.217   42.781   14.755  149.333   86.269   20.212   75.452   34.666 10.81675 40.12766 
1 1 1   22   29   26 o   84.546   20.903  104.212   43.883  130.528   45.964 -166.8175  147.507   95.439   19.929   59.580   29.205 35.85869 35.35707 
1 1 1   22   29   27 o   81.395   36.039   77.584  144.969   0.0000   0.0000   77.584  144.969  ?   ?    81.395   36.039 0.000000 36.03926 
1 1 1   22   29   28 o   81.370   36.225   80.092  148.427   0.0000   0.0000   80.092  148.427  ?   ?    81.370   36.225 0.000000 36.22464 
1 1 1   22   30    0 o   29.129   13.504 -15.3739   23.408 -15.2788   23.581 -21.7714  193.461   29.280   13.567   68.713   33.632 -39.43291 36.26566 
1 1 1   22   30    1 o   66.260   19.102   66.004   33.343   66.607   33.829   45.495  197.412   66.485   19.262   74.364   35.824 -7.878815 40.67407 
1 1 1   22   30    2 o   46.935   17.841   26.169   28.891   24.012   29.242  114.366  186.975   46.121   17.843   80.472   37.595 -34.35128 41.61446 
1 1 1   22   30    3 o   61.336   19.749   55.218   34.374   46.091   34.974  314.349  186.356   57.154   19.938  104.693   43.429 -47.53896 47.78712 
1 1 1   22   30    4 o   70.441   28.081   73.577   74.307   72.528   81.508   78.735  180.810   70.829   28.982   79.361   37.040 -8.531616 47.03131 
1 1 1   22   30    5 f   83.766   18.857  102.232   38.495  102.232   38.495   0.0000   0.0000   83.766   18.857  ?   ?  0.000000 18.85742 
1 1 1   22   30    6 o  113.343   15.982  177.568   43.979  180.977   45.292  121.345  183.950  114.193   16.350   85.371   38.940 28.82162 42.23350 
1 1 1   22   30    7 o   94.752   31.432  158.608   86.767  158.608   86.767   0.0000   0.0000   94.752   31.432  ?   ?  0.000000 31.43209 
1 1 1   22   30    8 o   80.369   18.604   92.987   36.599  101.578   37.485 -82.2345  169.291   84.229   18.341   67.896   32.823 16.33344 37.59974 
1 1 1   22   30    9 o   79.632   18.520   90.988   36.133  104.363   36.998 -185.2601  168.141   85.787   17.851   61.605   30.389 24.18125 35.24482 
1 1 1   22   30   10 o   52.406   18.259   35.943   29.330   34.900   29.782   69.489  168.910   52.002   18.379   81.727   37.292 -29.72545 41.57524 
1 1 1   22   30   11 o   61.776   18.843   54.041   31.715   57.015   32.313 -24.1669  165.691   63.289   18.957   72.875   34.462 -9.585522 39.33185 
1 1 1   22   30   12 o   55.328   18.478   41.424   29.968   34.731   30.475  237.595  164.992   52.197   18.576  105.322   41.889 -53.12502 45.82274 
1 1 1   22   30   13 o  173.665   18.017  416.600   76.998  411.710   84.133  441.819  191.058  170.672   20.127  138.054   46.652 32.61804 50.80878 
1 1 1   22   30   14 o   75.445   18.716   81.258   35.091   87.675   35.898 -56.8007  166.507   78.456   18.605   71.022   33.860 7.433449 38.63491 
1 1 1   22   30   15 o   78.959   18.209   88.300   35.170   86.262   35.910  136.207  174.110   77.804   18.712   91.435   40.024 -13.63130 44.18204 
1 1 1   22   30   16 o  139.864   14.864  262.341   51.120  273.303   53.251  133.599  182.497  142.567   15.192   91.635   40.511 50.93275 43.26590 
1 1 1   22   30   17 o  112.982   15.864  173.570   43.524  172.028   44.860  198.309  179.689  112.099   16.521  100.009   42.144 12.09038 45.26681 
1 1 1   22   30   18 o  135.597   31.839  304.208  105.969  304.208  105.969   0.0000   0.0000  135.597   31.839  ?   ?  0.000000 31.83907 
1 1 1   22   30   19 o   70.671   18.996   71.301   34.245   70.557   34.926   89.802  174.210   70.221   19.314   86.288   38.768 -16.06775 43.31263 
1 1 1   22   30   20 o   55.666   19.354   40.776   32.944   36.884   33.501  154.880  181.403   54.034   19.450   94.223   41.059 -40.18922 45.43299 
1 1 1   22   30   21 o   67.297   19.663   64.786   35.117   69.446   35.884 -40.7750  170.778   69.534   19.744   73.175   34.716 -3.641006 39.93774 
1 1 1   22   30   22 o   85.699   18.867  104.531   39.283  100.536   40.304  180.419  175.663   83.619   19.636   97.008   41.309 -13.38818 45.73904 
1 1 1   22   30   23 o  134.816   18.184  252.650   59.656  222.628   63.280  492.495  178.858  124.306   21.143  153.081   44.274 -28.77509 49.06320 
1 1 1   22   30   24 o   84.676   21.174  105.394   44.654  111.037   46.406   34.849  164.084   86.757   21.523   78.372   36.129 8.384201 42.05392 
1 1 1   22   30   25 f   51.205   19.412   30.312   34.141   30.010   34.987   36.350  156.220   51.344   19.606   77.219   35.469 -25.87569 40.52742 
1 1 1   22   30   26 o   84.820   37.714  104.691  160.380   0.0000   0.0000  104.691  160.380  ?   ?    84.820   37.714 0.000000 37.71381 
1 1 1   22   30   27 o   68.066   32.433 -45.8446  152.330   0.0000   0.0000 -45.8446  152.330  ?   ?    68.066   32.433 0.000000 32.43295 
1 1 1   22   31    0 o   67.576   27.776   80.604   75.284   80.604   75.284   0.0000   0.0000   67.576   27.776  ?   ?  0.000000 27.77567 
1 1 1   22   31    1 o  103.463   16.812  155.735   41.946  155.713   42.776  156.281  213.966  103.110   17.220   77.679   37.389 25.43154 41.16397 
1 1 1   22   31    2 o   60.655   19.007   55.623   32.019   55.173   32.430   73.067  201.755   60.398   19.155   73.831   35.726 -13.43306 40.53697 
1 1 1   22   31    3 o   86.890   40.122  225.496  203.606   0.0000   0.0000  225.496  203.606  ?   ?    86.890   40.122 0.000000 40.12156 
1 1 1   22   31    4 o   72.341   21.060   81.255   40.352   81.255   40.352   0.0000   0.0000   72.341   21.060  ?   ?  0.000000 21.06025 
1 1 1   22   31    5 o   97.549   16.845  135.754   39.550  131.712   40.396  229.174  194.207   95.539   17.580   91.090   40.928 4.448860 44.54424 
1 1 1   22   31    6 o   42.724   17.078   17.160   27.558   22.954   27.881 -228.5077  181.542   45.292   17.451   59.132   29.564 -13.83962 34.32991 
1 1 1   22   31    7 o   42.139   16.911   15.939   27.138   15.489   27.445   35.666  181.829   42.097   16.967   75.349   35.769 -33.25188 39.58892 
1 1 1   22   31    8 o   49.491   22.930 -23.7149   67.335 -23.7149   67.335   0.0000   0.0000   49.491   22.930  ?   ?  0.000000 22.92976 
1 1 1   22   31    9 o   69.434   18.671   70.420   33.075   63.057   33.624  290.372  183.773   65.612   19.260  105.030   43.310 -39.41799 47.39918 
1 1 1   22   31   10 o  178.577   13.883  428.049   61.421  410.985   64.380  601.016  204.971  173.997   14.962  154.413   48.042 19.58376 50.31767 
1 1 1   22   31   11 o   78.455   18.743   89.277   36.219   88.227   36.956  114.801  182.269   77.768   19.155   85.095   38.794 -7.327164 43.26564 
1 1 1   22   31   12 o  110.589   16.226  169.099   43.477  179.603   44.737  -9.5121  184.473  114.065   16.158   74.810   35.659 39.25531 39.14888 
1 1 1   22   31   13 o  138.061   14.759  257.828   50.096  250.948   52.015  345.927  186.139  135.555   15.654  116.939   45.081 18.61654 47.72141 
1 1 1   22   31   14 o   95.615   19.346  131.657   44.607  119.879   46.020  314.632  181.387   90.190   20.850  113.238   44.264 -23.04736 48.92848 
1 1 1   22   31   15 o   64.544   18.964   59.855   32.586   57.595   33.117  128.548  182.603   63.380   19.238   88.196   39.652 -24.81593 44.07247 
1 1 1   22   31   16 o   67.224   19.170   65.236   33.752   71.724   34.377 -108.6100  177.938   70.427   19.075   67.908   33.021 2.519402 38.13436 
1 1 1   22   31   17 o   85.058   18.275  103.077   37.659   99.381   38.451  190.048  186.502   83.122   18.946   95.761   41.683 -12.63918 45.78641 
1 1 1   22   31   18 o   95.482   17.132  127.383   39.347  127.383   39.347   0.0000   0.0000   95.482   17.132  ?   ?  0.000000 17.13157 
1 1 1   22   31   19 o   68.474   27.916   57.633   75.271   73.272   82.075 -25.1350  188.815   73.062   29.378   75.293   35.941 -2.231476 46.41990 
1 1 1   22   31   20 o   68.574   19.110   67.905   33.945   72.457   34.545 -59.7836  182.967   70.792   19.100   71.990   34.632 -1.197914 39.54941 
1 1 1   22   31   21 o  108.510   16.595  162.886   43.537  166.162   44.694  102.031  192.623  109.423   16.901   86.112   39.492 23.31069 42.95655 
1 1 1   22   31   22 o   59.705   19.596   50.074   33.758   55.456   34.375 -95.9426  179.049   62.310   19.717   68.714   33.346 -6.404091 38.73891 
1 1 1   22   31   23 o   50.007   18.753   29.670   31.668   29.202   32.137   45.346  186.041   49.949   18.858   79.937   37.395 -29.98802 41.88120 
1 1 1   22   31   24 o   55.543   19.997   40.650   35.414   27.524   36.104  374.043  181.958   50.480   19.744  122.509   45.143 -72.02919 49.27128 
1 1 1   22   31   25 o  112.596   17.980  179.057   48.855  209.075   50.859 -179.4457  175.764  122.454   17.099   62.540   30.892 59.91390 35.30814 
1 1 1   22   31   26 o   87.557   39.203  143.329  176.517   0.0000   0.0000  143.329  176.517  ?   ?    87.557   39.203 0.000000 39.20259 
1 1 1   22   32    0 o   68.910   28.007   98.353   75.473   98.353   75.473   0.0000   0.0000   68.910   28.007  ?   ?  0.000000 28.00721 
1 1 1   22   32    1 o   69.455   28.214   96.274   76.543   96.274   76.543   0.0000   0.0000   69.455   28.214  ?   ?  0.000000 28.21435 
1 1 1   22   32    2 o   77.137   37.440  211.285  225.965   0.0000   0.0000  211.285  225.965  ?   ?    77.137   37.440 0.000000 37.43977 
1 1 1   22   32    3 o   32.641   14.685  -5.8730   25.097  -5.8730   25.097   0.0000   0.0000   32.641   14.685  ?   ?  0.000000 14.68530 
1 1 1   22   32    4 o  121.865   15.587  211.220   46.349  216.158   47.505  113.452  211.387  123.074   15.823   74.973   36.349 48.10023 39.64345 
1 1 1   22   32    5 o   43.792   17.696   18.916   29.941   24.338   30.297 -208.2943  196.115   46.039   18.064   59.281   29.791 -13.24166 34.83969 
1 1 1   22   32    6 o   49.545   18.065   32.783   29.029   35.136   29.360 -69.9273  193.966   50.701   18.213   65.954   32.554 -15.25269 37.30254 
1 1 1   22   32    7 o   70.739   18.607   75.016   33.310   70.304   33.804  232.593  195.491   68.225   19.090   88.970   40.412 -20.74563 44.69406 
1 1 1   22   32    8 f   67.205   18.812   67.551   32.818   72.479   33.307 -96.6931  192.277   69.634   18.741   65.809   32.469 3.825661 37.48978 
1 1 1   22   32    9 o   81.921   29.767  121.442   78.720  121.442   78.720   0.0000   0.0000   81.921   29.767  ?   ?  0.000000 29.76662 
1 1 1   22   32   10 o   65.762   18.887   64.088   32.652   66.931   33.170 -24.8034  185.486   67.140   18.954   70.454   34.131 -3.314445 39.04114 
1 1 1   22   32   11 o   53.422   18.376   39.395   29.658   45.690   30.036 -205.8326  187.465   56.593   18.480   61.275   30.542 -4.681973 35.69804 
1 1 1   22   32   12 o   98.779   16.164  136.778   38.493  133.391   39.315  215.251  189.238   97.100   16.823   92.752   41.117 4.347916 44.42511 
1 1 1   22   32   13 o  103.860   16.665  151.635   41.761  147.657   42.790  231.377  191.571  101.944   17.435   95.154   41.809 6.789871 45.29869 
1 1 1   22   32   14 o   61.286   19.670   54.484   34.118   48.465   34.703  228.466  186.574   58.491   19.882   95.723   41.678 -37.23174 46.17767 
1 1 1   22   32   15 o   62.091   19.145   55.963   32.635   66.628   33.166 -269.2755  183.150   67.454   18.921   58.739   29.415 8.715279 34.97548 
1 1 1   22   32   16 o   50.138   18.221   31.946   29.499   29.647   29.854  126.926  191.885   49.187   18.254   85.421   39.264 -36.23383 43.29976 
1 1 1   22   32   17 o   94.620   17.486  127.057   39.794  128.875   40.623   83.880  198.001   95.138   17.752   82.048   38.445 13.09002 42.34580 
1 1 1   22   32   18 o   67.551   19.201   66.816   33.918   61.449   34.406  251.946  202.069   64.830   19.594   98.722   43.168 -33.89120 47.40688 
1 1 1   22   32   19 o   55.707   25.179  -1.2290   74.787  -1.2290   74.787   0.0000   0.0000   55.707   25.179  ?   ?  0.000000 25.17929 
1 1 1   22   32   20 o   63.769   19.216   59.174   33.129   63.795   33.623 -94.5857  193.953   66.056   19.223   69.314   33.873 -3.258446 38.94732 
1 1 1   22   32   21 o   84.797   18.759  104.406   38.671  102.870   39.427  143.305  198.452   83.867   19.235   87.223   40.032 -3.355728 44.41363 
1 1 1   22   32   22 o   72.331   19.581   77.293   36.233   77.028   36.798   85.715  207.656   72.101   19.822   82.354   38.833 -10.25278 43.59943 
1 1 1   22   32   23 o   79.694   19.077   93.139   37.460   79.582   38.102  485.084  204.869   73.035   20.208  130.401   47.923 -57.36579 52.00937 
1 1 1   22   32   24 f   44.124   18.360   13.432   33.450   15.015   33.960 -38.1791  193.906   44.874   18.571   71.935   34.860 -27.06066 39.49838 
1 1 1   22   32   25 o   83.959   38.867  126.928  192.876   0.0000   0.0000  126.928  192.876  ?   ?    83.959   38.867 0.000000 38.86691 
1 1 1   22   33    3 o  106.832   16.621  170.271   42.900  171.372   43.650  139.028  232.562  106.877   16.918   69.612   34.586 37.26515 38.50209 
1 1 1   22   33    4 o   53.217   18.686   42.797   30.745   47.894   31.047 -214.9392  220.773   55.656   18.806   57.897   29.385 -2.240982 34.88745 
1 1 1   22   33    5 o   38.606   16.186   10.650   26.283   11.464   26.494 -39.9581  208.950   39.007   16.294   64.202   32.040 -25.19451 35.94505 
1 1 1   22   33    6 o   68.186   20.962   75.299   39.154   78.136   39.860  -2.7885  209.090   69.325   21.120   66.940   33.178 2.384819 39.33016 
1 1 1   22   33    7 o   39.463   16.449   11.408   26.919   13.587   27.150 -115.3599  207.059   40.385   16.649   62.824   31.434 -22.43965 35.57111 
1 1 1   22   33    8 o   44.409   17.327   22.634   27.757   20.473   28.024  134.637  201.781   43.597   17.287   76.795   36.792 -33.19783 40.65075 
1 1 1   22   33    9 o   78.922   18.484   93.774   35.789   91.706   36.342  160.292  206.082   77.718   18.906   79.703   37.907 -1.984718 42.35996 
1 1 1   22   33   10 o   45.256   21.447 -38.6886   64.827 -38.6886   64.827   0.0000   0.0000   45.256   21.447  ?   ?  0.000000 21.44695 
1 1 1   22   33   11 o   24.912   11.911 -25.0159   20.915 -28.8654   21.035  310.627  196.419   24.200   11.667   96.648   42.403 -72.44782 43.97891 
1 1 1   22   33   12 o   68.754   18.332   70.495   32.050   64.752   32.457  295.514  203.166   65.692   18.820   95.136   42.365 -29.44372 46.35719 
1 1 1   22   33   13 o   53.205   18.561   39.508   30.309   46.019   30.684 -222.0424  194.484   56.406   18.691   60.249   30.192 -3.842964 35.50941 
1 1 1   22   33   14 o   64.868   18.902   62.746   32.491   68.059   32.934 -131.0745  198.899   67.523   18.825   65.093   32.280 2.429390 37.36816 
1 1 1   22   33   15 o  106.992   19.755  169.816   50.837  163.942   52.479  259.313  204.843  104.092   20.915   93.488   42.017 10.60391 46.93515 
1 1 1   22   33   16 o   90.852   17.977  119.889   39.342  128.983   40.115 -109.1962  201.343   94.558   17.637   66.937   33.063 27.62081 37.47355 
1 1 1   22   33   17 o   46.178   17.775   24.305   28.905   21.750   29.208  145.875  201.458   45.211   17.737   83.803   39.108 -38.59128 42.94230 
1 1 1   22   33   18 o  118.345   15.930  195.688   45.883  178.568   46.908  574.706  220.709  111.925   17.344  133.101   49.586 -21.17624 52.53176 
1 1 1   22   33   19 o  111.386   15.914  173.525   43.006  174.626   43.891  147.056  215.163  111.506   16.240   84.221   39.657 27.28484 42.85321 
1 1 1   22   33   20 o   60.990   26.395   34.644   73.934   34.644   73.934   0.0000   0.0000   60.990   26.395  ?   ?  0.000000 26.39537 
1 1 1   22   33   21 o  106.949   16.529  161.522   42.720  158.528   43.610  232.650  212.547  105.491   17.143   91.338   41.738 14.15289 45.12160 
1 1 1   22   33   22 o  101.863   16.944  147.696   41.587  151.590   42.354   43.187  219.417  103.152   17.037   76.914   37.227 26.23755 40.94073 
1 1 1   22   33   23 o   77.372   19.241   89.457   37.020   88.351   37.567  126.623  217.737   76.685   19.556   82.008   38.991 -5.322563 43.62096 
1 1 1   22   33   24 o   62.303   31.134 -199.7939  200.245   0.0000   0.0000 -199.7939  200.245  ?   ?    62.303   31.134 0.000000 31.13433 
1 1 1   22   34    7 o   65.972   21.157   72.866   39.477   87.965   40.114 -391.3253  222.418   72.672   20.953   53.136   27.188 19.53581 34.32474 
1 1 1   22   34    8 o   52.428   18.507   40.943   30.191   37.503   30.469  226.882  223.995   50.860   18.513   76.701   37.239 -25.84106 41.58693 
1 1 1   22   34    9 o   38.957   16.318   11.044   26.676   12.250   26.881 -66.9162  216.155   39.502   16.449   63.705   31.910 -24.20315 35.90063 
1 1 1   22   34   10 o   95.477   17.115  134.882   39.306  126.856   39.914  392.560  226.155   91.718   18.070   91.343   42.215 0.3744812 45.92004 
1 1 1   22   34   11 o   70.589   27.699   91.310   71.245   91.310   71.245   0.0000   0.0000   70.589   27.699  ?   ?  0.000000 27.69896 
1 1 1   22   34   12 o  107.423   15.578  164.699   40.570  159.480   41.278  312.872  219.922  105.132   16.247   88.391   41.119 16.74076 44.21242 
1 1 1   22   34   13 o   38.775   16.152   10.536   25.931   11.384   26.135 -43.1096  207.895   39.197   16.262   66.853   33.126 -27.65634 36.90223 
1 1 1   22   34   14 o   37.157   15.783   6.5879   25.528   9.8412   25.730 -197.9470  204.011   38.468   16.062   60.398   30.357 -21.93054 34.34459 
1 1 1   22   34   15 o   86.389   17.269  109.445   35.951  106.812   36.453  203.059  217.366   84.959   17.754   82.650   39.198 2.309105 43.03126 
1 1 1   22   34   16 o   90.914   20.723  128.192   46.002  127.755   47.084  137.368  215.805   90.294   21.237   78.639   37.774 11.65559 43.33449 
1 1 1   22   34   17 o   61.640   19.017   57.330   32.194   55.856   32.567  120.513  213.218   60.867   19.184   77.870   37.441 -17.00330 42.06985 
1 1 1   22   34   18 o   57.867   19.057   49.625   31.917   47.970   32.267  124.513  217.046   57.070   19.173   78.409   37.719 -21.33942 42.31244 
1 1 1   22   34   19 o  136.094   15.105  258.589   50.470  259.090   51.681  248.282  234.456  135.847   15.513   86.595   40.964 49.25149 43.80283 
1 1 1   22   34   20 o   40.926   16.952   12.644   28.331   12.644   28.331   0.0000   0.0000   40.926   16.952  ?   ?  0.000000 16.95164 
1 1 1   22   34   21 o  125.416   28.332  276.476   86.637  316.674   93.786   42.549  226.242  133.749   28.922   73.980   36.244 59.76945 46.36932 
1 1 1   23  -15    0 o   68.750   24.354   63.263   52.325 -112.5203  173.360   80.883   54.885   71.128   34.083   75.411   24.998 -4.283340 42.26809 
1 1 1   23  -15    1 f   71.231   24.376   70.668   52.168  105.433  174.914   67.274   54.656   92.072   40.214   70.275   24.891 21.79675 47.29453 
1 1 1   23  -14    0 o   87.231   24.419  110.247   55.296 -81.8105  170.900  132.705   58.439   74.066   35.018   95.639   24.392 -21.57333 42.67568 
1 1 1   23  -14    1 o   73.963   24.311   76.711   51.950 -35.6566  168.715   88.481   54.603   77.319   35.984   78.561   24.849 -1.242035 43.73006 
1 1 1   23  -14    2 o  132.504   22.354  248.043   71.334   77.830  180.934  279.370   77.622   90.378   40.127  140.361   22.938 -49.98262 46.22080 
1 1 1   23  -14    3 o   93.877   25.126  130.710   60.065 -79.0265  176.215  158.282   63.891   73.946   35.135  103.511   24.999 -29.56524 43.12075 
1 1 1   23  -14    4 o   75.115   25.067   81.147   55.152  141.114  179.102   74.865   57.969   96.257   41.368   73.068   25.658 23.18943 48.67943 
1 1 1   23  -13    0 o  109.072   22.526  167.157   59.322  176.302  163.236  165.765   63.676  106.169   41.842  107.721   24.255 -1.551857 48.36378 
1 1 1   23  -13    1 o   44.042   19.442  -6.7642   41.878   83.654  158.267 -13.5714   43.426   90.629   38.917   43.258   19.401 47.37156 43.48459 
1 1 1   23  -13    2 o  121.309   21.760  205.720   63.494  279.459  168.545  193.524   68.544  123.505   43.714  116.022   24.430 7.482956 50.07758 
1 1 1   23  -13    3 o  219.781   19.517  655.507  106.000  657.111  206.192  654.931  123.580  191.616   44.017  216.165   23.260 -24.54909 49.78489 
1 1 1   23  -13    4 o  161.904   20.527  361.700   81.126  452.775  198.790  343.501   88.863  150.337   47.398  155.423   23.641 -5.086639 52.96668 
1 1 1   23  -13    5 o   56.003   22.734   26.516   49.658   9.9829  173.056   27.999   51.838   81.455   37.384   57.159   23.219 24.29514 44.00801 
1 1 1   23  -13    6 f  116.848   24.707  200.893   69.839   14.365  196.958  227.718   74.692   84.277   39.106  124.468   24.900 -40.19125 46.36092 
1 1 1   23  -13    7 o   99.134   24.929  147.282   61.652  361.385  186.529  121.023   65.324  129.689   45.978   88.859   27.030 40.83022 53.33491 
1 1 1   23  -12    0 o   66.223   23.096   55.803   46.929 -39.7828  155.216   65.420   49.233   76.729   35.285   70.303   23.682 6.425400 42.49582 
1 1 1   23  -12    1 o  111.551   22.079  173.111   59.326  191.280  165.014  170.413   63.577  109.979   42.432  109.774   23.872 0.2048950 48.68675 
1 1 1   23  -12    2 o  144.740   20.004  284.634   70.370  303.409  170.903  280.801   77.220  130.503   44.123  142.297   22.478 -11.79482 49.51828 
1 1 1   23  -12    3 o  204.960   19.501  566.527   98.607  470.843  196.113  598.903  114.076  159.516   46.426  208.513   22.252 -48.99628 51.48301 
1 1 1   23  -12    4 o  241.725   20.191  793.315  120.764  609.537  219.807  872.772  144.531  179.328   48.094  250.247   23.400 -70.91895 53.48443 
1 1 1   23  -12    5 o  129.373   22.243  235.170   69.269  180.315  181.139  244.566   74.967  105.012   43.114  130.969   23.799 -25.95708 49.24657 
1 1 1   23  -12    6 o   96.689   25.979  138.842   64.066   0.0000   0.0000  138.842   64.066  ?   ?    96.689   25.979 0.000000 25.97888 
1 1 1   23  -12    7 o   69.818   33.372 -102.1896  163.931 -102.1896  163.931   0.0000   0.0000   69.818   33.372  ?   ?  0.000000 33.37206 
1 1 1   23  -12    8 o  123.630   23.202  220.607   69.001  190.668  185.220  225.432   74.353  103.077   43.072  123.758   24.921 -20.68072 49.76201 
1 1 1   23  -12    9 o   66.060   24.389   57.129   53.154  262.791  182.240   38.006   55.570  112.492   44.250   60.631   24.246 51.86058 50.45690 
1 1 1   23  -11    0 o  133.973   13.607  232.373   44.891  224.112   71.914  237.647   57.461  127.313   23.485  133.950   17.605 -6.637154 29.35102 
1 1 1   23  -11    1 o   97.968   16.539  127.868   39.022  116.860   64.132  134.339   49.171   90.611   26.600   98.958   20.569 -8.346458 33.62501 
1 1 1   23  -11    2 o  180.198   12.274  417.139   54.901  425.969   86.142  411.099   71.246  178.302   19.674  177.014   16.301 1.287460 25.54993 
1 1 1   23  -11    3 o  167.606   18.889  375.932   77.681  511.251  178.039  344.114   86.332  176.003   41.231  158.137   22.496 17.86575 46.96878 
1 1 1   23  -11    4 o  199.299   19.528  534.033   95.938  381.565  189.809  586.351  111.187  144.038   46.412  207.122   21.825 -63.08325 51.28725 
1 1 1   23  -11    5 o  114.891   22.228  184.889   61.467  313.455  175.186  166.839   65.640  131.022   44.670  107.599   24.920 23.42319 51.15097 
1 1 1   23  -11    6 o   80.220   24.683   91.972   54.276  147.312  170.279   85.714   57.263  100.481   41.584   77.924   25.520 22.55746 48.79016 
1 1 1   23  -11    7 o  134.841   21.111  252.496   68.753  413.383  179.524  224.843   74.428  148.485   44.730  124.818   24.753 23.66656 51.12182 
1 1 1   23  -11    8 o  111.670   23.154  178.884   62.449  265.576  179.849  166.999   66.593  117.661   44.565  106.466   25.402 11.19566 51.29645 
1 1 1   23  -11    9 o   76.559   24.763   84.487   53.994  164.212  173.072   75.891   56.831  100.104   41.716   73.562   25.429 26.54151 48.85569 
1 1 1   23  -11   10 o  147.135   21.818  306.525   77.734  294.887  192.731  308.786   84.951  118.173   45.784  145.813   24.177 -27.64038 51.77521 
1 1 1   23  -11   11 o   77.198   25.444   88.166   56.889  111.146  185.643   85.784   59.764   91.116   40.541   76.391   26.091 14.72440 48.21137 
1 1 1   23  -11   12 o   55.161   23.161   21.254   53.953 -15.6684  187.637   24.582   56.332   77.822   36.762   56.771   23.741 21.05061 43.76160 
1 1 1   23  -10    0 o   78.718   18.235   83.717   35.141  153.126   58.780   45.110   43.839  105.388   22.983   61.974   22.256 43.41383 31.99255 
1 1 1   23  -10    1 o   83.855   17.973   94.837   36.505   48.390   60.416  121.546   45.814   67.459   25.763   94.511   20.034 -27.05261 32.63533 
1 1 1   23  -10    2 o  217.194   12.021  603.000   64.943  613.211  100.117  595.583   85.332  215.493   18.793  213.904   16.093 1.589447 24.74174 
1 1 1   23  -10    3 o  119.356   14.589  186.073   42.579  157.417   68.836  203.831   54.190  104.952   26.314  123.619   18.089 -18.66653 31.93174 
1 1 1   23  -10    4 o  155.202   12.886  310.759   49.492  278.880   78.844  331.488   63.579  142.152   22.996  158.862   16.256 -16.71053 28.16145 
1 1 1   23  -10    5 o  168.192   16.597  372.875   68.801   0.0000   0.0000  372.875   68.801  ?   ?   168.192   16.597 0.000000 16.59728 
1 1 1   23  -10    6 o  152.185   44.151  409.239  177.621  409.239  177.621   0.0000   0.0000  152.185   44.151  ?   ?  0.000000 44.15134 
1 1 1   23  -10    7 o   79.127   24.181   88.679   52.194  100.743  165.716   87.350   54.993   94.059   40.090   78.657   24.944 15.40248 47.21651 
1 1 1   23  -10    8 o   54.915   21.974   26.178   45.673  177.954  163.107   13.265   47.576  104.917   41.673   51.855   21.760 53.06247 47.01252 
1 1 1   23  -10    9 o   78.179   24.665   87.458   53.823   41.294  172.833   92.416   56.639   85.922   38.608   80.086   25.306 5.836258 46.16236 
1 1 1   23  -10   10 o   84.240   24.898  104.001   56.023  134.841  172.303  100.355   59.241   96.663   41.031   82.706   25.843 13.95690 48.49105 
1 1 1   23  -10   11 o   56.232   22.792   27.488   49.830   41.275  171.151   26.211   52.086   83.957   38.007   56.619   23.168 27.33856 44.51138 
1 1 1   23  -10   12 o  188.557   20.112  493.790   93.239  639.237  208.257  457.327  104.273  179.117   46.242  177.643   24.130 1.473343 52.15954 
1 1 1   23  -10   13 o   77.845   25.649   90.541   57.812  160.777  187.060   83.124   60.788   96.324   41.836   75.302   26.284 21.02243 49.40773 
1 1 1   23  -10   14 o   95.921   26.790  144.813   66.637   98.798  194.630  150.924   70.924   87.952   40.093   97.199   27.812 -9.247734 48.79538 
1 1 1   23   -9    0 o  276.931   12.507  974.870   86.492  1018.92  129.549  939.447  116.176  279.543   18.665  269.139   17.379 10.40402 25.50326 
1 1 1   23   -9    1 o  193.261   12.047  476.284   57.852  494.495   89.052  462.986   76.097  194.206   18.589  188.916   16.290 5.290176 24.71691 
1 1 1   23   -9    2 o  250.668   12.011  798.999   75.184  762.640  113.303  827.603  100.497  241.019   18.979  252.900   15.995 -11.88150 24.82027 
1 1 1   23   -9    3 o  188.491   12.251  454.391   57.353  420.880   89.610  477.642   74.644  177.604   20.586  191.832   15.720 -14.22798 25.90211 
1 1 1   23   -9    4 o  216.991   12.538  603.021   67.648  581.312  105.231  618.311   88.314  208.781   20.446  217.847   16.353 -9.065796 26.18167 
1 1 1   23   -9    5 o  171.860   14.525  383.076   61.753  373.954   85.289  393.128   89.530  166.521   20.976  170.472   21.510 -3.951401 30.04429 
1 1 1   23   -9    6 o   88.178   17.631  105.125   37.466   51.282   62.765  134.931   46.698   68.340   26.221   99.463   19.498 -31.12357 32.67582 
1 1 1   23   -9    7 o  153.738   12.786  305.343   48.641  308.530   77.957  303.311   62.244  150.234   21.383  151.451   16.738 -1.216171 27.15461 
1 1 1   23   -9    8 o  169.120   12.618  369.404   52.906  325.962   84.198  397.746   68.009  153.319   22.676  173.902   15.834 -20.58305 27.65694 
1 1 1   23   -9    9 o   53.025   21.601   20.560   45.025   28.688  157.549   19.837   46.984   83.310   37.188   53.584   21.974 29.72672 43.19456 
1 1 1   23   -9   10 o   95.806   23.711  132.296   56.423  422.066  165.577   94.227   60.015  154.768   41.841   80.980   26.098 73.78790 49.31262 
1 1 1   23   -9   11 o  214.612   19.207  624.922  101.846  737.816  205.742  588.279  117.216  206.836   41.280  204.377   23.388 2.459732 47.44471 
1 1 1   23   -9   12 o   55.930   22.511   27.819   48.243  134.864  170.626   18.518   50.295   96.100   40.813   53.987   22.492 42.11289 46.60029 
1 1 1   23   -9   13 o   98.979   24.844  145.794   61.313  223.813  179.509  135.490   65.236  107.954   43.433   94.451   26.552 13.50328 50.90657 
1 1 1   23   -9   14 o   62.188   23.997   45.737   52.782   76.247  182.629   42.957   55.135   87.158   39.376   61.887   24.340 25.27079 46.29139 
1 1 1   23   -9   15 o  106.915   26.328  176.717   69.827   3.4429  195.357  202.097   74.766   80.250   37.787  114.280   26.683 -34.02960 46.25878 
1 1 1   23   -9   16 o   85.612   27.108  116.504   64.970 -51.4468  189.578  138.855   69.158   73.958   35.493   92.812   27.718 -18.85387 45.03392 
1 1 1   23   -8    0 o  291.637   15.404  1090.77  111.782  1061.64  138.962  1144.18  188.161  285.380   19.619  291.703   26.107 -6.322083 32.65676 
1 1 1   23   -8    1 o  264.638   12.433  889.032   82.167  815.574  122.628  948.884  110.689  249.641   19.834  271.301   16.415 -21.65927 25.74613 
1 1 1   23   -8    2 o  129.047   13.693  214.565   43.451  254.501   68.965  188.277   55.953  138.188   20.616  118.899   19.523 19.28883 28.39300 
1 1 1   23   -8    3 o  252.072   12.223  807.566   76.938  739.024  115.151  862.840  103.408  237.179   19.618  258.438   16.103 -21.25923 25.38075 
1 1 1   23   -8    4 o  278.355   14.285  994.919   98.960  1329.29  232.982  921.312  109.311  307.318   30.772  266.605   16.500 40.71317 34.91684 
1 1 1   23   -8    5 o  109.077   20.693  161.514   54.303  160.126   65.324  164.616   97.696  106.933   24.924  106.035   33.196 0.8979111 41.51133 
1 1 1   23   -8    6 o  105.157   15.363  145.440   39.152  117.641   63.660  162.351   49.653   91.205   26.424  109.953   18.757 -18.74845 32.40420 
1 1 1   23   -8    7 o  250.929   12.335  804.699   77.291  731.336  116.902  861.675  103.022  234.032   20.201  257.130   16.126 -23.09785 25.84830 
1 1 1   23   -8    8 o  256.021   12.192  838.541   77.948  808.649  118.867  861.092  103.246  246.243   19.490  256.660   16.192 -10.41740 25.33839 
1 1 1   23   -8    9 o  160.495   12.546  332.385   49.882  312.079   79.626  345.501   63.995  150.755   21.783  162.032   16.026 -11.27730 27.04302 
1 1 1   23   -8   10 o   46.092   18.423   16.520   32.065  -5.3755   55.477   27.504   39.292   50.907   22.429   53.203   20.656 -2.296570 30.49136 
1 1 1   23   -8   11 o  212.817   14.595  591.891   77.095  731.412  199.519  567.404   83.587  210.723   39.363  207.229   16.284 3.493942 42.59847 
1 1 1   23   -8   12 o  111.350   22.851  176.452   61.409  411.037  173.428  142.824   65.663  149.551   43.696   98.222   26.263 51.32896 50.98133 
1 1 1   23   -8   13 o   54.756   22.295   23.931   47.935   7.1821  167.882   25.417   50.018   80.851   37.002   55.927   22.773 24.92416 43.44815 
1 1 1   23   -8   14 o   50.473   21.535   9.2681   47.908  161.276  173.546  -3.2717   49.845   99.267   41.603   48.259   21.262 51.00772 46.72081 
1 1 1   23   -8   15 o   48.757   21.288   1.4242   48.974 -133.6232  177.255   12.585   50.957   69.008   33.415   52.305   22.261 16.70306 40.15094 
1 1 1   23   -8   16 o   80.012   25.651   96.719   58.036   22.305  187.855  104.571   61.021   81.558   37.961   82.711   26.280 -1.153732 46.17037 
1 1 1   23   -8   17 o   83.742   26.206  109.279   60.889 -84.1273  185.194  132.720   64.474   71.553   34.527   91.780   26.593 -20.22697 43.58082 
1 1 1   23   -8   18 o   45.579   20.566 -10.5470   49.639   6.2925  196.494 -11.6949   51.303   77.844   37.020   46.062   20.834 31.78215 42.48004 
1 1 1   23   -7    0 o  165.999   17.880  357.963   72.950  372.931   93.019  334.048  117.575  167.505   22.833  154.328   31.573 13.17746 38.96375 
1 1 1   23   -7    1 o  370.621   19.711  1784.03  181.769  1609.25  249.002  1983.42  265.957  344.085   29.257  383.508   27.963 -39.42383 40.47106 
1 1 1   23   -7    2 o  329.938   18.830  1412.19  154.501  1365.29  211.266  1466.11  226.528  318.362   26.824  329.070   27.827 -10.70767 38.65078 
1 1 1   23   -7    3 o  206.050   16.963  549.746   86.506  498.168  113.229  622.061  134.072  192.662   24.059  214.673   25.509 -22.01042 35.06511 
1 1 1   23   -7    4 o  129.892   26.219  233.589   82.115  233.589   82.115   0.0000   0.0000  129.892   26.219  ?   ?  0.000000 26.21938 
1 1 1   23   -7    5 o  151.379   12.763  293.672   47.797  297.825   75.449  290.889   61.775  149.405   20.786  149.247   16.871 0.1582947 26.77094 
1 1 1   23   -7    6 o  210.247   11.927  563.733   62.363  560.614   95.708  566.035   82.213  206.533   18.762  209.012   15.870 -2.478638 24.57335 
1 1 1   23   -7    7 o  117.885   14.284  180.758   41.190  153.901   66.287  197.651   52.572  104.478   25.606  122.083   17.766 -17.60522 31.16560 
1 1 1   23   -7    8 o  160.422   12.743  330.969   50.629  238.586   79.623  393.672   65.597  130.436   25.358  173.993   15.251 -43.55659 29.59130 
1 1 1   23   -7    9 o  112.477   14.816  165.952   40.601  157.642   66.195  170.964   51.406  105.177   25.473  112.558   18.963 -7.380997 31.75645 
1 1 1   23   -7   10 o   65.125   19.427   57.438   33.987   55.682   59.180   58.303   41.516   68.659   25.657   66.282   21.730 2.376602 33.62285 
1 1 1   23   -7   11 o  160.014   12.533  330.652   49.678  326.410   80.034  333.311   63.361  154.335   21.337  158.936   16.190 -4.601242 26.78436 
1 1 1   23   -7   12 o  122.500   14.174  196.904   42.559  181.591   71.059  205.470   53.145  111.676   25.971  123.555   17.733 -11.87907 31.44794 
1 1 1   23   -7   13 o   52.440   19.272   31.517   33.131   44.131   57.705   25.314   40.465   64.055   24.986   52.676   20.809 11.37929 32.51685 
1 1 1   23   -7   14 o   95.771   23.981  133.331   57.226  223.132  165.886  121.201   60.969  111.340   42.649   90.591   25.740 20.74838 49.81477 
1 1 1   23   -7   15 o   81.006   24.744   95.958   54.661   78.554  170.641   97.948   57.702   88.630   39.179   81.661   25.503 6.969086 46.74808 
1 1 1   23   -7   16 o   70.984   24.483   70.681   52.666  277.691  177.357   50.663   55.153  116.696   44.242   64.541   24.623 52.15448 50.63245 
1 1 1   23   -7   17 o  121.039   23.638  215.264   68.884  172.605  188.883  221.808   73.979   98.184   42.341  121.708   25.172 -23.52456 49.25814 
1 1 1   23   -7   18 o   83.383   26.007  107.496   60.025   61.832  191.654  112.463   63.205   84.350   38.941   84.870   26.722 -0.5198746 47.22785 
1 1 1   23   -7   19 o   59.524   23.658   40.548   52.598  220.733  199.614   27.104   54.525   98.914   43.088   56.272   23.429 42.64225 49.04602 
1 1 1   23   -6    0 o  176.762   11.995  396.602   52.633  442.938   81.019  362.766   69.233  185.127   17.743  167.704   16.756 17.42247 24.40418 
1 1 1   23   -6    1 o  218.557   11.910  605.552   64.754  645.128   97.895  574.765   86.342  223.625   17.674  211.455   16.482 12.16997 24.16657 
1 1 1   23   -6    2 o  305.751   12.615  1184.25   96.320  1202.92  142.563  1168.57  130.649  304.961   18.812  301.295   17.439 3.665771 25.65188 
1 1 1   23   -6    3 o   93.449   19.714  117.008   44.556  174.959  143.392  110.815   46.877  112.987   40.285   90.578   21.114 22.40919 45.48315 
1 1 1   23   -6    4 o  150.957   12.897  291.329   48.150  297.814   75.145  286.813   62.716  150.030   20.601  148.433   17.241 1.597229 26.86387 
1 1 1   23   -6    5 f   98.512   22.362  132.273   53.752  100.707   65.970  194.628   92.719   86.310   27.314  116.749   31.204 -30.43877 41.47025 
1 1 1   23   -6    6 o  202.102   16.769  529.696   83.868  486.065  110.388  589.268  128.988  190.045   23.781  208.537   25.286 -18.49266 34.71216 
1 1 1   23   -6    7 o  199.592   16.590  517.393   81.938  476.340  108.804  571.180  124.541  187.750   23.737  205.103   24.821 -17.35318 34.34434 
1 1 1   23   -6    8 o  242.153   15.382  757.808   92.533  691.667  116.919  868.684  151.380  228.172   20.746  253.217   24.236 -25.04430 31.90310 
1 1 1   23   -6    9 o  104.383   15.152  143.096   38.341  221.816   64.328   99.725   47.748  128.036   20.836   84.868   22.256 43.16765 30.48720 
1 1 1   23   -6   10 o   49.169   18.636   24.200   31.466   14.370   55.554   28.843   38.180   56.061   23.519   53.665   20.484 2.396408 31.18842 
1 1 1   23   -6   11 o  259.732   12.141  862.816   78.746  877.611  120.843  851.898  103.813  257.022   18.962  255.158   16.379 1.863358 25.05654 
1 1 1   23   -6   12 o  102.551   15.569  139.589   38.618  165.283   64.995  125.570   48.011  107.576   24.714   95.119   20.793 12.45671 32.29747 
1 1 1   23   -6   13 f  116.475   14.356  178.276   40.872  156.605   67.767  190.667   51.242  103.605   26.182  119.004   17.789 -15.39895 31.65325 
1 1 1   23   -6   14 o   93.731   16.405  118.413   36.999  129.363   63.628  112.819   45.478   93.863   26.165   89.702   20.720 4.160713 33.37579 
1 1 1   23   -6   15 o  119.119   13.856  186.549   40.446  192.286   66.998  183.259   50.734  115.615   23.992  116.084   18.091 -0.4692307 30.04840 
1 1 1   23   -6   16 o  128.912   16.175  222.610   50.924  255.316  176.388  219.637   53.189  115.462   44.038  127.524   17.136 -12.06222 47.25437 
1 1 1   23   -6   17 o   83.757   24.691  103.855   55.157  173.415  177.057   96.379   58.046  100.546   42.072   80.746   25.629 19.79992 49.26327 
1 1 1   23   -6   18 o   70.854   24.604   71.074   53.230  114.159  180.657   66.977   55.703   91.219   40.318   69.653   25.080 21.56573 47.48180 
1 1 1   23   -6   19 o   71.381   25.184   73.498   55.899 -167.7811  189.447   96.507   58.503   67.624   33.138   79.619   25.778 -11.99495 41.98385 
1 1 1   23   -6   20 o   77.520   25.703   92.619   58.023  126.215  198.694   89.487   60.668   89.255   40.618   76.354   26.281 12.90079 48.37894 
1 1 1   23   -5    0 o   79.445   17.553   83.693   33.895   58.198   54.906   99.392   43.084   70.510   24.951   86.197   20.343 -15.68636 32.19307 
1 1 1   23   -5    1 o  149.199   12.585  283.379   46.453  275.292   72.295  289.065   60.623  144.765   20.578  149.692   16.491 -4.926712 26.37055 
1 1 1   23   -5    2 o  192.066   13.431  469.685   64.015  506.308  108.654  450.214   79.225  196.118   22.599  186.880   17.168 9.237976 28.38121 
1 1 1   23   -5    3 o  153.438   20.243  309.079   75.670  309.079   75.670   0.0000   0.0000  153.438   20.243  ?   ?  0.000000 20.24292 
1 1 1   23   -5    4 o  159.962   12.262  325.713   48.610  324.053   74.914  326.920   63.885  157.313   19.487  159.110   16.309 -1.797073 25.41121 
1 1 1   23   -5    5 o  230.683   12.015  675.494   68.973  664.804  103.526  684.026   92.490  226.347   18.477  230.629   16.161 -4.282455 24.54777 
1 1 1   23   -5    6 o  106.952   14.758  148.578   38.366  130.459   61.113  160.364   49.288   97.312   25.012  110.023   18.603 -12.71113 31.17145 
1 1 1   23   -5    7 o  157.476   12.266  316.577   47.854  353.567   75.648  291.901   61.787  164.166   18.791  149.731   16.816 14.43562 25.21669 
1 1 1   23   -5    8 o  173.556   12.310  384.662   53.007  398.799   83.381  375.074   68.670  173.885   19.541  169.926   16.386 3.959152 25.50165 
1 1 1   23   -5    9 o  146.108   18.064  281.266   64.505  295.397   84.488  261.516   99.879  147.105   23.813  134.807   30.395 12.29799 38.61292 
1 1 1   23   -5   10 o   61.001   23.046   39.435   48.016   67.816   61.839  -3.6542   76.197   73.827   26.441   60.329   26.441 13.49801 37.39344 
1 1 1   23   -5   11 o  124.310   18.477  206.419   55.611  131.316   70.248  332.503   91.019   95.710   27.766  155.131   24.293 -59.42059 36.89267 
1 1 1   23   -5   12 o  197.760   11.978  501.274   58.874  466.557   92.056  525.301   76.583  186.482   20.085  200.800   15.390 -14.31828 25.30324 
1 1 1   23   -5   13 o   84.552   17.512   97.018   35.759  121.283   60.923   84.265   44.167   91.894   25.598   77.756   21.844 14.13785 33.65156 
1 1 1   23   -5   14 o  175.342   12.050  395.874   52.443  401.179   83.209  392.378   67.548  172.309   19.692  172.690   15.840 -0.3811188 25.27190 
1 1 1   23   -5   15 o   61.261   18.748   50.718   31.362   2.7688   53.027   76.516   38.894   51.574   22.337   74.056   20.387 -22.48121 30.24200 
1 1 1   23   -5   16 o  245.004   12.041  772.203   73.666  803.936  115.550  750.473   95.618  244.020   19.115  238.283   16.165 5.737061 25.03384 
1 1 1   23   -5   17 o  112.761   14.362  168.337   39.523  127.334   66.772  190.451   49.035   92.077   27.173  118.748   17.023 -26.67146 32.06504 
1 1 1   23   -5   18 o  176.331   15.008  411.797   65.454  243.904  196.209  432.821   69.432  111.015   45.143  180.420   15.563 -69.40551 47.75063 
1 1 1   23   -5   19 o  107.985   23.635  171.552   61.965  239.325  188.316  163.323   65.619  108.372   44.165  104.062   25.460 4.310539 50.97820 
1 1 1   23   -5   20 o   91.541   25.195  128.180   59.412  277.771  195.289  112.923   62.369  110.864   45.055   85.422   26.488 25.44161 52.26404 
1 1 1   23   -5   21 o   76.043   25.374   88.108   56.515   99.032  197.535   87.134   58.980   86.940   39.916   75.663   25.919 11.27667 47.59269 
1 1 1   23   -4    0 o  109.826   14.276  155.224   38.226  196.161   61.304  129.183   48.895  121.904   20.890   98.533   20.538 23.37103 29.29463 
1 1 1   23   -4    1 o  233.090   12.184  687.582   70.673  700.786  105.244  676.739   95.376  233.430   18.199  229.886   16.729 3.543716 24.71922 
1 1 1   23   -4    2 o  236.084   14.445  709.504   84.749  868.471  184.752  667.140   95.375  253.956   29.693  228.106   16.863 25.85056 34.14750 
1 1 1   23   -4    3 o  260.014   12.271  854.272   79.678  876.225  118.021  835.887  108.006  260.890   18.230  255.272   17.041 5.617401 24.95465 
1 1 1   23   -4    4 o  274.244   12.167  950.695   83.327  946.510  122.326  954.319  113.818  271.049   18.178  272.785   16.790 -1.735718 24.74566 
1 1 1   23   -4    5 o  114.074   14.137  167.719   39.409  181.873   62.772  158.511   50.631  116.392   22.410  109.443   19.227 6.949493 29.52800 
1 1 1   23   -4    6 o  259.673   11.795  852.885   76.488  931.263  114.590  789.903  102.721  268.925   17.153  247.793   16.698 21.13179 23.93819 
1 1 1   23   -4    7 o   53.826   18.777   33.938   31.020   22.504   51.533   40.435   38.846   57.514   23.225   59.119   20.980 -1.604221 31.29788 
1 1 1   23   -4    8 o  139.589   12.969  249.662   44.689  251.224   70.188  248.597   57.954  137.237   21.161  137.981   17.192 -0.7439728 27.26462 
1 1 1   23   -4    9 o  194.495   11.972  481.822   57.865  501.854   89.877  467.639   75.624  195.851   18.600  190.105   16.081 5.746201 24.58767 
1 1 1   23   -4   10 o  225.079   11.859  645.275   66.422  640.382  101.443  648.948   87.881  221.119   18.543  224.021   15.811 -2.902328 24.36825 
1 1 1   23   -4   11 o  284.791   12.140  1032.79   86.337  1033.35  131.050  1032.35  114.762  280.530   18.816  282.079   16.362 -1.548615 24.93539 
1 1 1   23   -4   12 o   71.937   23.637   68.671   49.110   80.133   63.913   52.148   76.737   77.999   26.967   72.463   28.647 5.536079 39.34287 
1 1 1   23   -4   13 o  158.761   16.602  331.427   64.846  333.658   87.620  328.725   96.422  155.710   23.246  152.688   26.234 3.022598 35.05099 
1 1 1   23   -4   14 o   67.547   18.223   62.231   31.447   72.904   52.670   56.319   39.202   73.505   24.494   65.113   21.104 8.391678 32.33183 
1 1 1   23   -4   15 o   34.642   15.556 -10.9855   28.015 -24.3478   47.854  -4.0179   34.556   43.427   19.829   40.789   17.843 2.637772 26.67537 
1 1 1   23   -4   16 o   78.347   17.605   84.074   33.604   35.199   56.973  110.147   41.612   61.482   24.563   89.307   19.228 -27.82492 31.19371 
1 1 1   23   -4   17 o  280.551   12.539  1014.57   87.848  1055.12  135.737  985.345  115.238  279.351   19.582  272.473   17.022 6.878510 25.94570 
1 1 1   23   -4   18 o  216.727   12.003  606.787   64.710  616.897  103.418  600.283   82.957  212.679   19.696  213.056   15.703 -0.3770599 25.18958 
1 1 1   23   -4   19 o  139.988   12.804  256.105   44.264  281.129   74.420  242.405   55.063  141.154   21.816  134.051   16.819 7.102554 27.54694 
1 1 1   23   -4   20 o   63.579   19.068   56.447   32.677   91.766   57.635   39.716   39.669   78.710   25.594   57.060   21.068 21.65000 33.15026 
1 1 1   23   -4   21 o  125.196   22.925  229.082   69.030  403.073  201.151  205.856   73.493  130.663   47.567  116.110   25.994 14.55291 54.20607 
1 1 1   23   -4   22 o   98.451   25.490  150.632   63.160  286.587  208.793  136.939   66.264  107.942   45.455   92.736   26.985 15.20589 52.86213 
1 1 1   23   -3    0 o  110.538   14.210  157.035   38.316  122.583   60.234  180.452   49.659   95.390   24.988  117.854   17.397 -22.46425 30.44727 
1 1 1   23   -3    1 o   84.911   21.429   96.356   45.439   0.0000   0.0000   96.356   45.439  ?   ?    84.911   21.429 0.000000 21.42877 
1 1 1   23   -3    2 o  179.512   18.374  415.886   81.207  415.886   81.207   0.0000   0.0000  179.512   18.374  ?   ?  0.000000 18.37441 
1 1 1   23   -3    3 f  329.227   12.901  1369.89  106.062  1422.09  154.716  1323.61  145.680  332.755   18.695  321.209   18.237 11.54565 26.11686 
1 1 1   23   -3    4 o  160.441   11.913  326.637   47.391  397.935   73.676  276.320   61.894  175.820   16.992  146.146   17.295 29.67348 24.24576 
1 1 1   23   -3    5 o  125.061   13.536  200.375   41.597  232.462   66.130  179.368   53.509  132.787   20.611  116.795   18.999 15.99197 28.03230 
1 1 1   23   -3    6 o  101.945   15.231  135.052   37.586  159.887   60.781  119.676   47.826  108.840   23.079   94.441   20.838 14.39869 31.09426 
1 1 1   23   -3    7 o  210.197   11.762  560.268   61.493  573.822   93.421  549.906   81.684  210.627   17.932  206.920   15.931 3.707321 23.98662 
1 1 1   23   -3    8 o  196.930   11.872  492.545   58.111  500.500   88.845  486.596   76.821  196.265   18.340  194.417   15.964 1.847321 24.31498 
1 1 1   23   -3    9 o   81.545   17.598   88.773   34.785   82.763   56.850   92.370   43.978   79.129   25.390   82.558   21.217 -3.429092 33.08763 
1 1 1   23   -3   10 o  106.632   14.824  148.023   38.406  105.947   62.398  173.684   48.730   87.867   26.348  114.795   17.557 -26.92832 31.66207 
1 1 1   23   -3   11 o  147.165   12.740  277.679   46.358  223.648   73.190  313.876   59.906  127.818   23.806  155.545   15.635 -27.72715 28.48133 
1 1 1   23   -3   12 o  132.222   12.901  225.048   42.054  223.877   67.331  225.798   53.849  128.493   21.761  131.095   16.838 -2.602554 27.51453 
1 1 1   23   -3   13 o  217.983   11.535  606.203   62.568  596.227   97.040  613.300   81.855  212.705   18.452  217.594   15.159 -4.888763 23.88040 
1 1 1   23   -3   14 o  180.114   12.209  416.194   54.590  372.272   86.229  445.572   70.522  165.857   21.313  184.958   15.409 -19.10121 26.29948 
1 1 1   23   -3   15 o  277.439   16.947  1010.44  116.849  912.980  162.021  1116.08  168.678  255.754   25.717  284.907   23.930 -29.15338 35.12877 
1 1 1   23   -3   16 o   56.286   21.375   33.641   41.445   24.542   55.313   45.288   62.582   58.230   23.856   66.189   25.964 -7.959213 35.25998 
1 1 1   23   -3   17 o   88.693   16.027  105.737   34.191  110.306   57.477  103.234   42.535   87.457   25.041   86.102   20.141 1.354919 32.13609 
1 1 1   23   -3   18 o  173.132   11.965  386.830   51.414  351.493   83.068  408.774   65.460  159.502   21.395  176.391   15.003 -16.88916 26.13102 
1 1 1   23   -3   19 o  167.115   12.281  361.924   50.892  325.068   82.962  384.161   64.441  152.043   22.533  170.520   15.296 -18.47670 27.23409 
1 1 1   23   -3   20 o  119.570   13.786  188.633   40.410  126.518   67.488  223.350   50.455   91.307   27.407  129.094   15.994 -37.78720 31.73239 
1 1 1   23   -3   21 f   90.674   16.560  112.638   36.115   89.730   61.514  124.688   44.614   78.062   26.471   93.961   19.646 -15.89906 32.96460 
1 1 1   23   -3   22 o   94.543   16.495  122.860   37.527  125.719   64.218  121.378   46.244   89.965   26.674   91.720   20.683 -1.755264 33.75362 
1 1 1   23   -3   23 o   44.634   20.201 -13.3853   48.313  156.150  224.728 -21.6008   49.470   93.520   42.804   43.559   19.990 49.96142 47.24147 
1 1 1   23   -2    0 o  301.652   12.611  1147.47   94.993  1136.80  137.825  1157.14  131.107  297.974   18.616  301.062   17.515 -3.087982 25.55985 
1 1 1   23   -2    1 o  229.240   13.536  666.091   77.145  623.349  102.537  721.845  117.108  220.197   18.829  236.644   20.004 -16.44754 27.47167 
1 1 1   23   -2    2 o  162.542   12.408  335.103   49.984  355.589   74.912  318.663   67.106  165.972   18.383  157.298   17.374 8.673615 25.29416 
1 1 1   23   -2    3 o   95.544   15.681  118.764   36.116   83.609   58.172  140.814   46.071   80.482   25.668  103.536   18.498 -23.05405 31.63916 
1 1 1   23   -2    4 o  103.450   15.058  138.468   37.759  117.109   60.458  152.128   48.348   93.171   25.322  107.619   18.667 -14.44807 31.45934 
1 1 1   23   -2    5 o  217.987   12.032  601.487   65.244  557.506   97.179  637.579   88.034  207.752   18.940  223.346   15.888 -15.59358 24.72121 
1 1 1   23   -2    6 o  173.100   12.330  380.439   52.948  364.038   80.708  392.832   70.156  167.167   19.713  174.861   16.252 -7.694000 25.54877 
1 1 1   23   -2    7 o  129.322   13.261  213.990   42.219  200.150   66.908  223.147   54.422  122.257   22.753  131.096   17.026 -8.838806 28.41776 
1 1 1   23   -2    8 o   87.757   16.477  101.470   34.782  121.391   56.844   89.548   43.975   94.435   24.042   81.564   21.343 12.87077 32.14878 
1 1 1   23   -2    9 o  141.599   12.541  255.980   43.886  284.253   68.928  236.705   56.913  147.219   19.207  134.775   17.310 12.44408 25.85627 
1 1 1   23   -2   10 o  117.080   13.819  176.755   39.625  204.466   64.135  159.647   50.393  123.506   21.581  109.631   19.101 13.87524 28.81984 
1 1 1   23   -2   11 o   73.481   17.730   72.425   32.161   58.351   53.172   80.544   40.385   69.474   24.557   77.166   20.580 -7.691368 32.04023 
1 1 1   23   -2   12 o   96.757   15.277  122.819   35.687  131.067   58.277  117.870   45.141   97.303   24.108   93.343   19.970 3.960098 31.30437 
1 1 1   23   -2   13 o  289.232   12.162  1064.69   87.845  1030.46  131.661  1092.15  117.932  280.254   18.924  290.329   16.333 -10.07550 24.99738 
1 1 1   23   -2   14 o  257.325   11.829  843.201   76.009  830.598  115.939  852.702  100.660  251.225   18.613  256.389   15.799 -5.164154 24.41407 
1 1 1   23   -2   15 o  302.023   12.207  1165.07   92.070  1172.42  138.653  1159.27  123.136  297.996   18.728  298.037   16.611 -0.4046631E-01 25.03293 
1 1 1   23   -2   16 o   93.010   15.511  114.953   34.758  112.890   58.037  116.107   43.403   89.069   25.046   92.053   19.489 -2.984154 31.73489 
1 1 1   23   -2   17 o  167.151   15.802  367.116   65.178  258.474   87.902  499.795   97.140  133.564   27.277  192.123   20.567 -58.55821 34.16171 
1 1 1   23   -2   18 o   53.221   20.859   26.500   40.361 -28.1595   53.712   97.400   61.172   45.563   20.880   82.582   26.321 -37.01855 33.59705 
1 1 1   23   -2   19 o  248.255   12.028  792.027   74.564  744.580  116.911  824.560   96.809  234.078   20.198  250.515   15.552 -16.43648 25.49194 
1 1 1   23   -2   20 o   63.151   18.954   54.727   32.280   34.558   56.125   64.697   39.459   60.613   24.321   68.246   21.053 -7.633892 32.16797 
1 1 1   23   -2   21 o   79.822   17.761   88.333   34.490   62.376   59.354  101.566   42.378   69.344   25.738   84.647   20.309 -15.30291 32.78531 
1 1 1   23   -2   22 o   56.286   19.036   41.817   31.811   71.693   55.612   27.288   38.782   71.479   25.130   52.170   20.447 19.30945 32.39706 
1 1 1   23   -2   23 o   83.343   18.294   97.920   37.030   90.457   61.098  102.253   46.554   77.660   26.381   83.402   22.026 -5.741737 34.36712 
1 1 1   23   -1    0 f  108.251   21.207  155.085   55.277   0.0000   0.0000  155.085   55.277  ?   ?   108.251   21.207 0.000000 21.20715 
1 1 1   23   -1    1 o  220.144   31.244  651.299  166.943  651.299  166.943   0.0000   0.0000  220.144   31.244  ?   ?  0.000000 31.24435 
1 1 1   23   -1    2 o   97.495   20.650  126.187   48.711  -4.5076  121.020  151.455   53.212   77.303   33.613  107.026   20.658 -29.72290 39.45332 
1 1 1   23   -1    3 o  210.961   17.288  569.915   90.275  513.885  163.095  594.664  108.395  192.986   35.137  214.460   20.489 -21.47404 40.67474 
1 1 1   23   -1    4 o  192.432   17.133  474.883   81.471  491.443  156.717  468.750   95.372  188.706   34.529  190.140   20.405 -1.434555 40.10781 
1 1 1   23   -1    5 o  355.351   19.488  1622.71  172.274  1742.34  267.559  1537.99  225.155  361.480   29.909  341.788   26.589 19.69257 40.01926 
1 1 1   23   -1    6 o   92.547   21.498  114.737   48.734   48.963  128.513  125.785   52.668   87.574   36.175   96.806   22.253 -9.232323 42.47108 
1 1 1   23   -1    7 o   95.974   20.518  122.950   47.685  224.786  125.930  105.904   51.521  125.889   37.359   88.663   23.054 37.22626 43.89994 
1 1 1   23   -1    8 o  204.448   17.093  537.828   86.469  631.136  168.363  504.399  100.775  213.949   32.538  196.537   20.852 17.41264 38.64615 
1 1 1   23   -1    9 o   74.826   18.169   74.700   33.609   55.213   56.212   85.542   41.929   69.591   25.174   79.808   20.820 -10.21696 32.66811 
1 1 1   23   -1   10 o  191.505   11.776  465.545   56.044  451.092   85.060  476.633   74.503  186.267   18.533  192.598   15.625 -6.330276 24.24084 
1 1 1   23   -1   11 o  172.735   11.689  379.344   50.125  400.802   77.703  364.051   65.600  175.492   17.985  167.952   15.828 7.539520 23.95777 
1 1 1   23   -1   12 o   84.816   16.251   95.268   33.168  106.849   54.103   88.295   41.982   88.256   23.941   80.710   20.723 7.545959 31.66442 
1 1 1   23   -1   13 o  263.881   11.975  884.278   78.909  845.253  118.824  915.067  105.542  254.254   18.849  266.283   15.945 -12.02937 24.68887 
1 1 1   23   -1   14 o  116.988   13.684  177.224   39.221  162.742   63.131  186.328   50.053  108.350   23.968  118.747   17.395 -10.39783 29.61503 
1 1 1   23   -1   15 o  113.113   13.758  166.223   38.060  174.394   62.135  161.315   48.151  112.375   22.919  109.871   18.186 2.504494 29.25745 
1 1 1   23   -1   16 o  100.924   14.589  133.739   35.702   97.886   59.571  153.835   44.599   83.688   25.877  107.429   17.205 -23.74039 31.07451 
1 1 1   23   -1   17 o  229.119   11.836  672.305   67.488  560.431  103.265  755.714   89.164  204.039   20.546  241.233   14.874 -37.19402 25.36516 
1 1 1   23   -1   18 o   84.128   16.457   95.395   33.335   76.079   55.917  106.045   41.520   74.860   25.239   87.737   19.460 -12.87764 31.86987 
1 1 1   23   -1   19 o  115.896   13.541  175.589   38.450  105.388   63.041  217.174   48.520   85.485   26.651  128.225   15.465 -42.74009 30.81279 
1 1 1   23   -1   20 o  179.986   15.805  427.571   70.318  363.763   98.113  494.963  100.831  159.314   25.523  189.425   21.708 -30.11047 33.50642 
1 1 1   23   -1   21 o  117.036   18.168  186.585   51.377  139.437   70.748  239.194   74.732   96.134   27.857  129.102   24.066 -32.96733 36.81297 
1 1 1   23   -1   22 o   56.872   19.299   42.266   32.697   38.567   63.035   43.627   38.244   63.271   25.639   58.602   20.814 4.669098 33.02387 
1 1 1   23   -1   23 o   94.551   25.832  135.532   62.723  135.532   62.723   0.0000   0.0000   94.551   25.832  ?   ?  0.000000 25.83211 
1 1 1   23   -1   24 o   95.273   16.416  124.651   37.647  168.965   63.590  100.739   46.713  105.988   24.514   82.694   22.168 23.29366 33.05116 
1 1 1   23    0    0 o   83.552   24.633   91.902   54.897   91.902   54.897   0.0000   0.0000   83.552   24.633  ?   ?  0.000000 24.63338 
1 1 1   23    0    1 o   90.623   15.494  106.781   33.803  111.988   54.242  103.474   43.224   91.517   23.586   88.308   20.058 3.209404 30.96151 
1 1 1   23    0    2 o  139.794   12.724  248.341   43.931  185.801   66.572  296.585   58.470  118.161   23.389  152.256   15.598 -34.09503 28.11346 
1 1 1   23    0    3 o  207.758   11.820  545.267   61.068  453.708   89.960  623.517   83.165  187.511   19.497  221.423   15.131 -33.91165 24.67994 
1 1 1   23    0    4 o  227.924   11.650  655.867   66.089  651.794   98.418  659.212   89.189  225.633   17.607  227.464   15.800 -1.831345 23.65639 
1 1 1   23    0    5 o  338.661   13.359  1448.78  112.979  1337.88  162.859  1551.65  156.862  322.414   20.332  348.365   18.094 -25.95154 27.21716 
1 1 1   23    0    6 o  270.336   12.212  921.802   82.444  925.014  121.240  919.038  112.443  268.589   18.183  268.204   16.875 0.3849487 24.80698 
1 1 1   23    0    7 o  205.007   14.387  535.071   73.186  614.076  160.426  514.308   82.243  212.712   31.122  200.334   16.589 12.37889 35.26760 
1 1 1   23    0    8 o  168.488   17.360  366.139   71.994  361.655  146.997  367.554   82.575  159.052   37.603  167.926   20.090 -8.874084 42.63303 
1 1 1   23    0    9 o  157.946   17.594  322.920   68.215  275.000  144.255  336.722   77.418  137.594   39.752  160.620   19.715 -23.02646 44.37213 
1 1 1   23    0   10 o  201.627   16.693  523.145   83.293  668.831  161.564  470.406   97.207  221.435   29.989  189.531   20.885 31.90402 36.54512 
1 1 1   23    0   11 o   75.708   21.815   76.601   43.495   45.547  128.241   80.638   46.236   85.779   35.842   77.616   22.529 8.163689 42.33384 
1 1 1   23    0   12 o   58.723   20.991   39.426   38.956  192.754  132.713   24.969   40.751  116.033   38.883   53.869   21.002 62.16364 44.19255 
1 1 1   23    0   13 o  145.123   12.649  269.471   45.380  200.412   70.756  317.727   59.146  121.026   24.257  156.841   15.296 -35.81491 28.67686 
1 1 1   23    0   14 o  164.488   11.820  345.118   48.227  316.418   75.207  365.161   62.851  154.477   19.963  168.113   15.134 -13.63539 25.05084 
1 1 1   23    0   15 o   75.635   17.543   77.063   32.491   54.015   54.872   89.508   40.319   67.973   24.829   81.043   20.036 -13.06944 31.90465 
1 1 1   23    0   16 o  179.645   11.755  412.485   52.445  394.181   82.280  425.010   68.063  172.194   19.477  180.982   15.201 -8.787186 24.70674 
1 1 1   23    0   17 o  152.159   12.042  297.230   45.380  274.246   72.717  311.891   58.078  142.190   21.121  154.646   15.237 -12.45638 26.04356 
1 1 1   23    0   18 o  118.830   13.320  183.532   38.847  235.040   64.813  154.654   48.530  131.521   20.394  106.861   18.876 24.65936 27.78925 
1 1 1   23    0   19 o  108.848   13.646  154.935   36.277  164.083   60.686  149.848   45.253  107.902   23.211  105.406   17.828 2.496292 29.26721 
1 1 1   23    0   20 o   99.428   14.562  130.718   35.085  143.590   59.121  123.720   43.591  100.180   23.956   94.916   19.053 5.264023 30.60904 
1 1 1   23    0   21 o   79.720   16.985   86.747   32.778   99.924   56.245   79.970   40.336   83.233   25.028   75.510   20.751 7.722466 32.51188 
1 1 1   23    0   22 o   98.662   26.950  145.789   68.276   0.0000   0.0000  145.789   68.276  ?   ?    98.662   26.950 0.000000 26.94953 
1 1 1   23    0   23 o   69.312   22.530   67.265   44.664   83.286   61.729   49.662   64.706   76.408   26.497   66.609   26.314 9.799316 37.34353 
1 1 1   23    0   24 f   82.876   17.447   95.399   34.966   58.381   58.477  116.000   43.624   67.402   25.440   90.403   19.866 -23.00055 32.27775 
1 1 1   23    0   25 o  211.402   12.467  584.664   65.525  548.269  105.149  607.769   83.781  195.795   21.880  212.574   15.898 -16.77917 27.04574 
1 1 1   23    1    0 o  181.497   11.578  416.048   52.203  377.538   76.851  449.040   71.131  171.379   18.238  187.809   15.300 -16.43044 23.80532 
1 1 1   23    1    1 o  357.702   13.514  1614.20  120.717  1497.10  172.033  1727.78  169.436  341.746   20.249  368.452   18.415 -26.70612 27.37024 
1 1 1   23    1    2 o  164.429   12.331  342.409   50.262  257.323   74.775  412.538   67.885  140.030   22.118  179.944   15.251 -39.91368 26.86645 
1 1 1   23    1    3 o  328.463   12.964  1360.46  106.335  1353.60  152.980  1366.88  147.909  325.321   18.913  327.215   18.173 -1.893341 26.22858 
1 1 1   23    1    4 o  385.049   13.697  1872.24  131.704  1818.44  189.158  1922.87  183.486  376.502   20.193  388.241   18.926 -11.73917 27.67533 
1 1 1   23    1    5 o  389.664   14.343  1920.23  139.563  1786.11  200.253  2046.91  194.611  372.234   21.637  400.173   19.475 -27.93854 29.11021 
1 1 1   23    1    6 o  242.632   11.978  741.896   72.577  669.767  106.144  805.227   99.460  228.288   18.786  251.410   15.924 -23.12248 24.62732 
1 1 1   23    1    7 o  201.129   11.470  511.211   57.370  442.415   85.701  567.073   77.226  185.147   18.797  211.068   14.744 -25.92162 23.88973 
1 1 1   23    1    8 o   89.666   15.607  104.937   33.676  110.759   52.887  100.967   43.673   90.745   23.238   86.956   20.455 3.789001 30.95786 
1 1 1   23    1    9 o  126.598   12.803  204.586   39.920  175.767   61.299  225.808   52.603  114.753   22.194  132.224   16.275 -17.47119 27.52190 
1 1 1   23    1   10 o  201.316   11.408  512.950   57.115  527.517   86.343  501.617   76.158  202.441   17.244  197.938   15.532 4.503311 23.20786 
1 1 1   23    1   11 o  219.560   11.517  610.444   62.925  673.019   95.741  562.859   83.490  228.780   16.877  209.404   16.089 19.37662 23.31752 
1 1 1   23    1   12 o  115.941   16.241  175.040   45.733  182.782  135.678  174.048   48.575  114.451   39.307  115.264   17.419 -0.8130646 42.99377 
1 1 1   23    1   13 o  162.418   17.394  342.922   69.450  386.939  149.342  330.776   78.448  162.201   37.603  158.370   20.304 3.831253 42.73441 
1 1 1   23    1   14 o  128.999   19.371  220.463   60.472   68.606  140.997  254.692   66.941   91.341   37.824  138.613   19.911 -47.27203 42.74430 
1 1 1   23    1   15 o  359.814   20.031  1698.74  179.266  1858.61  282.431  1590.87  231.989  364.036   31.375  341.030   27.474 23.00613 41.70363 
1 1 1   23    1   16 o  151.440   13.706  295.609   51.272  313.618   72.501  277.592   72.518  153.749   19.309  143.861   20.789 9.888275 28.37321 
1 1 1   23    1   17 o  135.865   12.592  237.563   42.235  284.176   68.308  208.714   53.738  146.020   19.198  125.476   17.637 20.54450 26.07020 
1 1 1   23    1   18 o  157.696   12.088  319.249   47.240  260.671   74.858  358.016   60.898  137.800   22.533  165.927   14.854 -28.12646 26.98844 
1 1 1   23    1   19 o   83.298   16.307   93.224   32.707  102.563   55.084   88.139   40.647   85.159   24.553   79.823   20.335 5.335762 31.88019 
1 1 1   23    1   20 o  120.524   12.868  188.624   38.129  147.148   62.849  212.782   47.965  101.235   25.007  127.067   15.433 -25.83193 29.38613 
1 1 1   23    1   21 o  169.023   11.886  367.910   49.850  319.543   81.180  397.189   63.161  152.003   22.029  174.305   14.647 -22.30229 26.45360 
1 1 1   23    1   22 o  112.765   14.469  167.846   39.804  167.271   67.094  168.158   49.445  107.066   25.466  111.075   18.475 -4.009018 31.46164 
1 1 1   23    1   23 o  156.318   12.248  316.906   47.427  276.358   78.415  340.294   59.554  139.385   23.355  160.540   15.030 -21.15488 27.77310 
1 1 1   23    1   24 o   61.120   19.321   51.076   33.015   24.249   54.237   66.868   41.613   56.788   23.483   68.954   21.678 -12.16680 31.95897 
1 1 1   23    1   25 o  221.746   16.218  659.323   89.182  529.046  123.860  799.569  128.512  187.434   27.262  237.821   21.885 -50.38710 34.95919 
1 1 1   23    1   26 o  136.741   13.313  247.451   44.883  199.031   73.801  275.872   56.542  113.449   26.525  142.607   16.163 -29.15742 31.06121 
1 1 1   23    2    0 o  192.232   11.981  466.807   57.229  416.875   83.423  511.195   78.656  180.046   18.833  200.356   15.850 -20.30945 24.61562 
1 1 1   23    2    1 o  613.478   18.840  4792.06  288.625  4629.56  409.225  4952.90  407.137  596.509   27.472  617.957   26.383 -21.44849 38.08955 
1 1 1   23    2    2 o  243.377   11.943  745.525   72.585  739.321  105.210  751.160  100.269  240.623   17.632  242.845   16.635 -2.221619 24.24036 
1 1 1   23    2    3 o  322.200   12.327  1307.51   99.184  1345.15  143.921  1273.46  136.879  324.821   17.811  316.170   17.404 8.651276 24.90229 
1 1 1   23    2    4 o  160.502   12.113  326.210   48.193  335.136   71.971  318.954   64.890  161.315   18.183  157.697   16.734 3.618286 24.71116 
1 1 1   23    2    5 o  187.343   11.706  443.520   54.490  417.000   80.881  465.561   73.735  180.089   18.236  191.097   15.587 -11.00763 23.99018 
1 1 1   23    2    6 o  298.733   12.706  1125.46   94.784  994.613  136.922  1245.86  131.341  278.197   19.839  312.688   16.883 -34.49112 26.05063 
1 1 1   23    2    7 o  246.841   11.878  767.722   73.214  733.937  106.976  797.492  100.417  239.307   18.034  250.127   16.163 -10.81998 24.21689 
1 1 1   23    2    8 o  191.251   11.696  462.604   55.591  438.648   82.471  482.553   75.258  184.562   18.128  194.389   15.636 -9.827362 23.93953 
1 1 1   23    2    9 o  131.146   12.558  219.091   40.623  163.566   62.456  259.804   53.481  110.391   23.384  142.284   15.292 -31.89341 27.94007 
1 1 1   23    2   10 o  102.906   14.189  136.648   35.492  155.701   55.942  123.812   45.916  108.041   21.491   96.520   19.716 11.52107 29.16513 
1 1 1   23    2   11 o   96.621   14.788  121.210   34.545  128.867   55.695  116.422   44.041   97.623   23.190   93.500   19.494 4.122734 30.29486 
1 1 1   23    2   12 o   95.303   14.481  117.947   33.378  183.127   55.199   80.375   41.909  117.773   19.447   77.449   21.097 40.32365 28.69286 
1 1 1   23    2   13 o  159.492   11.881  323.547   46.980  315.738   72.575  329.180   61.636  155.323   19.114  159.825   15.644 -4.502441 24.70000 
1 1 1   23    2   14 o   63.127   18.073   52.722   29.941   69.648   51.101   43.873   36.948   73.449   24.110   60.027   20.514 13.42214 31.65652 
1 1 1   23    2   15 o  174.285   11.712  386.704   50.676  352.065   79.341  410.573   65.861  163.333   19.861  178.566   14.906 -15.23245 24.83273 
1 1 1   23    2   16 o  174.759   14.359  393.307   62.108  487.560  163.431  377.397   67.146  180.603   37.466  170.561   15.950 10.04271 40.71944 
1 1 1   23    2   17 o  141.786   18.094  265.539   62.604  381.385  153.540  242.439   68.561  156.683   39.308  134.060   21.184 22.62346 44.65277 
1 1 1   23    2   18 o  146.649   18.826  286.105   67.352  248.628  161.822  293.957   74.073  124.118   42.910  147.798   20.632 -23.68015 47.61251 
1 1 1   23    2   19 o  127.672   14.726  212.897   46.087  203.590   65.694  221.918   64.673  121.437   22.491  127.636   21.023 -6.198898 30.78675 
1 1 1   23    2   20 o  116.004   13.238  174.993   37.661  181.602   62.435  171.213   47.219  114.146   22.703  113.209   17.248 0.9370651 28.51133 
1 1 1   23    2   21 o  104.342   17.532  146.640   44.062   0.0000   0.0000  146.640   44.062  ?   ?   104.342   17.532 0.000000 17.53228 
1 1 1   23    2   22 o  196.574   19.373  520.929   93.865  520.929   93.865   0.0000   0.0000  196.574   19.373  ?   ?  0.000000 19.37349 
1 1 1   23    2   23 o  113.279   13.779  168.607   38.174  184.333   65.266  160.430   47.065  113.440   23.799  108.637   17.977 4.802963 29.82567 
1 1 1   23    2   24 o  120.883   13.270  191.610   39.399  200.528   68.019  187.108   48.332  117.867   23.926  117.736   16.926 0.1314697 29.30798 
1 1 1   23    2   25 o  163.554   12.345  348.178   50.049  305.027   83.038  372.797   62.722  145.517   23.664  167.581   15.152 -22.06361 28.09963 
1 1 1   23    2   26 o  116.812   14.391  182.060   41.091  142.703   68.623  204.060   51.307   95.815   27.337  122.101   17.312 -26.28648 32.35762 
1 1 1   23    3    0 o  131.580   12.346  219.837   40.092  236.165   60.080  206.729   53.832  135.149   18.270  126.482   17.513 8.666992 25.30862 
1 1 1   23    3    1 o  146.929   11.935  273.403   43.411  279.424   65.085  268.578   58.263  147.238   18.082  144.712   16.413 2.526230 24.41990 
1 1 1   23    3    2 o  123.110   12.925  193.027   39.142  163.612   59.447  215.539   52.005  111.122   22.200  129.426   16.463 -18.30470 27.63818 
1 1 1   23    3    3 o  217.755   11.725  598.312   63.524  538.414   92.451  651.881   87.431  204.982   18.252  226.446   15.556 -21.46399 23.98172 
1 1 1   23    3    4 f  280.336   11.948  989.262   83.642  909.119  120.812  1063.04  115.914  266.717   18.248  289.214   16.114 -22.49695 24.34452 
1 1 1   23    3    5 o  122.403   13.018  190.992   39.181  189.461   60.758  192.081   51.265  120.010   21.041  121.810   17.343 -1.799767 27.26736 
1 1 1   23    3    6 f  165.737   11.682  347.463   48.038  381.962   71.660  319.306   64.739  172.659   16.834  157.763   16.686 14.89619 23.70270 
1 1 1   23    3    7 o  226.118   11.641  645.450   65.506  638.700   96.217  651.283   89.434  223.439   17.381  226.068   15.944 -2.628708 23.58643 
1 1 1   23    3    8 o  214.149   11.718  579.386   62.426  525.623   91.862  625.518   85.093  202.188   18.395  221.593   15.475 -19.40587 24.03856 
1 1 1   23    3    9 o  148.857   11.975  281.122   44.138  276.089   66.990  284.983   58.675  145.829   18.836  148.965   16.025 -3.135193 24.73038 
1 1 1   23    3   10 o  255.005   12.002  820.383   76.429  736.683  111.792  893.841  104.729  239.155   18.872  264.693   15.918 -25.53810 24.68912 
1 1 1   23    3   11 o  120.707   13.027  186.350   38.646  206.969   60.340  172.011   50.321  125.443   19.929  114.622   18.188 10.82066 26.98064 
1 1 1   23    3   12 o  234.586   11.959  696.946   69.824  714.911  103.843  682.122   94.333  235.617   17.780  230.613   16.489 5.003494 24.24931 
1 1 1   23    3   13 o  114.704   13.337  169.000   37.490  146.574   59.377  183.867   48.346  103.949   23.434  118.801   16.762 -14.85221 28.81201 
1 1 1   23    3   14 o  113.781   13.401  166.567   37.346  182.751   60.093  156.383   47.669  116.831   21.386  108.876   18.174 7.955208 28.06466 
1 1 1   23    3   15 o   98.790   14.803  127.181   35.394  129.459   57.921  125.824   44.714   97.121   24.017   97.015   19.137 0.1052170 30.70852 
1 1 1   23    3   16 o  123.897   12.980  197.330   39.562  174.463   63.024  212.199   50.822  113.045   23.106  127.504   16.337 -14.45972 28.29828 
1 1 1   23    3   17 o  193.669   11.663  477.864   56.143  436.346   86.586  507.981   73.746  181.871   19.363  198.432   14.993 -16.56139 24.48896 
1 1 1   23    3   18 o   98.890   14.501  127.990   34.746  101.188   58.247  142.796   43.292   85.363   25.425  103.615   17.345 -18.25227 30.77767 
1 1 1   23    3   19 o   82.558   19.271   93.038   39.006  229.579  144.800   82.355   40.503  120.334   40.614   77.441   20.589 42.89234 45.53464 
1 1 1   23    3   20 o  140.378   19.248  264.417   65.696  228.357  170.976  270.663   71.159  118.336   43.730  141.264   20.794 -22.92776 48.42263 
1 1 1   23    3   21 o   68.942   22.385   63.840   44.096   62.301  164.381   63.959   45.774   90.238   39.205   69.193   22.824 21.04519 45.36507 
1 1 1   23    3   22 o  125.890   13.093  206.001   40.557  246.860   66.647  181.971   51.110  134.398   20.508  116.134   18.224 18.26448 27.43456 
1 1 1   23    3   23 o  190.882   11.864  469.004   56.274  408.517   90.515  507.113   71.847  172.354   21.498  196.955   14.714 -24.60170 26.05126 
1 1 1   23    3   24 o  103.476   14.585  141.973   36.641  133.945   63.802  145.924   44.758   95.256   26.065  103.453   17.978 -8.197372 31.66352 
1 1 1   23    3   25 o   73.722   17.654   75.304   32.071   65.638   56.593   79.876   38.924   70.154   25.277   75.188   20.270 -5.033806 32.40062 
1 1 1   23    3   26 f   62.489   18.639   54.159   31.286   95.259   55.820   35.335   37.777   80.301   25.085   54.961   20.507 25.33961 32.40049 
1 1 1   23    3   27 o   65.261   19.297   60.141   33.644   77.711   57.850   51.161   41.358   73.341   25.639   61.754   21.673 11.58770 33.57218 
1 1 1   23    4    0 f  234.365   11.065  690.369   64.758  712.665   94.232  670.417   89.144  236.742   16.034  229.689   15.635 7.052902 22.39492 
1 1 1   23    4    1 o  371.822   14.386  1745.66  133.577  1666.07  190.163  1823.18  187.676  360.312   21.229  377.548   19.977 -17.23648 29.15023 
1 1 1   23    4    2 o  240.242   11.516  725.883   69.087  721.886  100.377  729.482   95.232  237.992   17.002  239.519   16.014 -1.526840 23.35610 
1 1 1   23    4    3 o  123.169   12.844  193.163   38.924  160.650   58.860  218.433   51.891  110.092   22.177  130.342   16.299 -20.24979 27.52194 
1 1 1   23    4    4 f  271.100   12.181  925.325   82.463  832.914  118.705  1011.52  114.641  255.114   18.765  282.061   16.346 -26.94701 24.88598 
1 1 1   23    4    5 o   60.241   17.552   47.024   28.019   63.752   45.228   36.606   35.693   70.962   22.633   56.995   20.123 13.96774 30.28513 
1 1 1   23    4    6 o  104.947   13.439  141.169   34.411  179.893   53.299  113.491   45.061  117.442   18.809   92.541   20.076 24.90116 27.51049 
1 1 1   23    4    7 o  220.954   11.801  616.422   64.875  512.926   94.417  708.989   89.293  199.613   19.177  236.169   15.222 -36.55602 24.48405 
1 1 1   23    4    8 o  256.620   11.595  829.200   74.302  731.194  108.073  917.051  102.322  238.850   18.258  268.618   15.317 -29.76810 23.83194 
1 1 1   23    4    9 o  196.240   11.477  486.607   55.996  472.786   83.271  498.016   75.656  191.901   17.572  197.597   15.456 -5.695465 23.40179 
1 1 1   23    4   10 o  216.123   11.602  590.281   62.386  529.385   91.972  642.180   84.905  202.786   18.361  224.499   15.235 -21.71277 23.85889 
1 1 1   23    4   11 o  229.408   12.072  665.921   68.917  565.495  101.304  752.438   94.027  209.033   19.637  242.853   15.587 -33.82036 25.07149 
1 1 1   23    4   12 o  304.520   12.382  1171.78   94.160  1197.45  137.866  1149.33  128.908  305.258   18.168  299.431   17.314 5.826660 25.09663 
1 1 1   23    4   13 o  259.614   11.724  851.282   76.009  853.294  112.467  849.590  103.124  257.533   17.593  257.582   16.113 -0.4830933E-01 23.85719 
1 1 1   23    4   14 o   88.876   15.160  103.312   32.439   70.568   52.412  123.642   41.299   74.245   24.420   96.735   17.750 -22.49016 30.18949 
1 1 1   23    4   15 o  249.491   11.734  787.711   73.108  761.932  109.645  808.346   98.096  242.478   18.241  250.951   15.733 -8.472855 24.08906 
1 1 1   23    4   16 o  134.673   12.657  232.247   42.067  168.367   66.022  275.905   54.580  110.690   24.530  146.136   15.178 -35.44592 28.84588 
1 1 1   23    4   17 f   58.550   18.023   44.630   28.935   10.520   49.319   62.533   35.730   52.957   22.185   68.386   19.791 -15.42976 29.73015 
1 1 1   23    4   18 o   82.506   16.210   90.624   32.207  125.258   53.664   71.125   40.265   95.266   22.851   72.537   21.015 22.72809 31.04518 
1 1 1   23    4   19 o   74.803   16.754   75.245   30.519   78.013   51.081   73.709   38.058   75.963   24.035   73.554   20.133 2.409256 31.35284 
1 1 1   23    4   20 o  162.033   15.138  341.752   60.543   0.0000   0.0000  341.752   60.543  ?   ?   162.033   15.138 0.000000 15.13795 
1 1 1   23    4   21 o  128.928   21.558  227.754   66.957  227.754   66.957   0.0000   0.0000  128.928   21.558  ?   ?  0.000000 21.55801 
1 1 1   23    4   22 o  166.874   14.272  362.274   58.902  536.560  188.458  343.405   62.008  178.402   42.842  161.846   15.533 16.55545 45.57072 
1 1 1   23    4   23 o   89.869   22.835  114.477   51.349 -61.7165  171.532  131.820   53.817   77.056   36.002   96.559   22.701 -19.50336 42.56184 
1 1 1   23    4   24 o   40.229   17.205   2.0491   30.708   18.946   50.928  -7.6042   38.493   54.813   22.718   41.972   18.578 12.84137 29.34666 
1 1 1   23    4   25 o   72.229   17.781   72.099   31.856   5.6396   55.797  104.240   38.802   53.133   22.963   86.843   18.461 -33.71025 29.46338 
1 1 1   23    4   26 o   44.314   17.471   17.193   28.472 -55.6429   50.482   51.169   34.479   39.095   18.640   61.379   19.781 -22.28372 27.17997 
1 1 1   23    4   27 o   67.771   18.550   64.521   32.309   35.395   56.097   78.978   39.522   60.140   24.251   74.291   20.590 -14.15098 31.81281 
1 1 1   23    5    0 o  291.672   13.096  1072.10   95.387  940.095  136.226  1199.09  133.608  270.671   20.302  306.876   17.507 -36.20523 26.80837 
1 1 1   23    5    1 o  477.448   15.358  2882.76  183.111  2839.09  260.348  2925.51  257.589  470.607   22.154  478.035   21.578 -7.427734 30.92582 
1 1 1   23    5    2 o  321.341   13.142  1301.46  105.459  1275.52  150.870  1326.24  147.471  315.899   19.216  322.450   18.391 -6.550903 26.59858 
1 1 1   23    5    3 o  210.241   11.314  557.359   59.179  489.422   86.238  617.823   81.357  195.502   17.862  220.626   14.853 -25.12386 23.23060 
1 1 1   23    5    4 o  227.270   11.694  651.515   66.141  648.975   96.148  653.796   91.129  225.506   17.204  226.620   16.210 -1.114365 23.63750 
1 1 1   23    5    5 o   94.052   14.387  114.219   32.716   82.823   50.146  137.487   43.169   79.529   23.569  102.697   17.458 -23.16795 29.33055 
1 1 1   23    5    6 o  232.942   11.955  684.867   69.308  649.709  100.451  716.812   95.751  225.329   18.002  237.262   16.259 -11.93288 24.25762 
1 1 1   23    5    7 o   97.343   14.160  122.128   33.410   88.716   51.554  146.321   43.870   81.995   23.786  106.053   17.150 -24.05864 29.32406 
1 1 1   23    5    8 o  252.693   11.519  803.766   72.690  777.148  106.152  827.268   99.746  246.640   17.345  255.006   15.741 -8.365799 23.42290 
1 1 1   23    5    9 o  441.895   14.642  2471.51  161.569  2431.04  231.287  2510.08  225.799  435.001   21.292  442.508   20.434 -7.506561 29.51061 
1 1 1   23    5   10 o  193.641   11.542  473.984   55.558  351.175   81.791  579.195   75.705  164.296   20.373  213.468   14.284 -49.17227 24.88126 
1 1 1   23    5   11 o  158.880   12.183  320.294   47.968  265.782   71.545  364.806   64.651  142.405   20.727  168.826   15.508 -26.42131 25.88682 
1 1 1   23    5   12 o  195.247   11.535  482.367   55.990  428.837   83.362  526.360   75.573  182.102   18.593  203.080   15.008 -20.97804 23.89423 
1 1 1   23    5   13 f  208.835   11.666  552.159   60.598  461.997   89.938  627.117   82.006  188.632   19.368  221.666   14.901 -33.03365 24.43714 
1 1 1   23    5   14 o   72.388   17.285   69.717   30.814   48.280   50.799   82.197   38.760   65.776   23.910   78.332   19.804 -12.55533 31.04664 
1 1 1   23    5   15 o  127.529   12.581  207.970   39.545  232.088   63.022  192.307   50.788  132.707   19.608  121.324   17.249 11.38358 26.11503 
1 1 1   23    5   16 o  153.566   11.900  300.383   45.277  297.093   70.431  302.701   59.109  150.398   19.190  153.066   15.685 -2.668320 24.78518 
1 1 1   23    5   17 o  124.834   12.654  199.924   38.902  192.055   62.070  205.015   49.923  119.400   21.613  125.347   16.338 -5.946281 27.09334 
1 1 1   23    5   18 o  142.029   12.292  258.263   43.168  241.425   68.933  269.127   55.369  134.051   21.305  143.928   15.658 -9.877365 26.44016 
1 1 1   23    5   19 o  155.009   11.869  307.262   45.594  333.386   73.082  290.616   58.339  158.801   18.794  149.341   15.887 9.459518 24.60927 
1 1 1   23    5   20 o  178.895   11.578  408.859   51.444  418.077   83.302  403.176   65.406  177.550   19.088  176.300   14.999 1.250031 24.27582 
1 1 1   23    5   21 o   49.665   17.776   28.357   27.946   16.739   49.722   33.721   33.787   54.329   22.476   54.093   19.525 0.2369156 29.77256 
1 1 1   23    5   22 o  160.848   11.611  331.845   46.322  269.011   73.983  372.361   59.409  140.067   21.866  169.359   14.178 -29.29211 26.06016 
1 1 1   23    5   23 o  128.177   12.593  212.704   39.786  209.508   66.538  214.483   49.637  122.676   22.551  127.384   15.954 -4.707565 27.62397 
1 1 1   23    5   24 f   49.868   17.918   28.974   28.419   93.030   54.234   4.7272   33.367   80.922   24.632   42.674   18.082 38.24858 30.55599 
1 1 1   23    5   25 o   60.052   20.262   47.051   36.038  201.630  182.914   40.808   36.758  109.073   43.857   57.469   20.407 51.60457 48.37267 
1 1 1   23    5   26 o   75.768   23.022   81.819   47.407   36.225  191.823   84.785   48.925   87.411   39.830   76.979   23.387 10.43242 46.18839 
1 1 1   23    5   27 o  122.762   15.650  201.853   46.886  210.893   68.690  193.966   64.156  120.648   23.645  116.043   22.952 4.604317 32.95294 
1 1 1   23    5   28 o  103.278   15.083  143.581   37.753   85.761   63.812  174.718   46.827   76.619   26.920  112.998   17.132 -36.37909 31.90901 
1 1 1   23    6    0 o  464.733   15.507  2732.15  179.957  2649.37  255.354  2813.82  253.651  454.388   22.504  468.738   21.670 -14.35028 31.24140 
1 1 1   23    6    1 o  233.140   11.535  683.597   67.157  592.177   96.548  769.287   93.474  215.129   18.141  246.197   15.279 -31.06723 23.71847 
1 1 1   23    6    2 o  346.867   12.649  1515.44  109.569  1463.13  156.833  1565.31  153.140  338.635   18.618  351.149   17.464 -12.51331 25.52674 
1 1 1   23    6    3 o  161.957   11.455  331.485   46.029  327.692   68.573  334.596   62.098  159.762   17.473  161.910   15.550 -2.148056 23.39022 
1 1 1   23    6    4 o  293.223   13.509  1084.44   98.921  959.929  164.437  1155.05  123.834  271.785   24.491  301.442   16.514 -29.65637 29.53858 
1 1 1   23    6    5 o  233.122   11.993  685.824   69.582  663.947  100.571  705.913   96.372  227.911   17.812  235.424   16.497 -7.512878 24.27813 
1 1 1   23    6    6 o  175.028   11.382  386.941   49.479  362.112   72.527  408.557   67.673  167.956   17.552  179.069   15.280 -11.11333 23.27094 
1 1 1   23    6    7 o  258.961   11.899  844.281   76.949  833.864  111.592  853.724  106.248  255.540   17.595  258.918   16.519 -3.377457 24.13382 
1 1 1   23    6    8 o  169.914   11.906  365.300   50.197  273.453   73.497  445.599   68.722  144.709   20.948  187.111   14.829 -42.40152 25.66583 
1 1 1   23    6    9 o  230.001   11.404  665.889   65.499  655.987   96.064  674.491   89.539  226.536   17.108  230.150   15.673 -3.613632 23.20138 
1 1 1   23    6   10 o  201.344   11.098  511.753   55.585  528.431   82.538  497.911   75.193  203.323   16.396  197.611   15.358 5.712463 22.46535 
1 1 1   23    6   11 o  331.736   12.654  1389.16  104.827  1242.73  150.904  1525.71  145.727  310.873   19.538  346.204   16.856 -35.33099 25.80440 
1 1 1   23    6   12 o  156.913   11.553  312.041   44.950  313.144   67.841  311.178   60.015  155.647   17.773  155.747   15.642 -0.9968567E-01 23.67595 
1 1 1   23    6   13 o  219.087   11.419  606.968   62.256  592.445   92.650  618.924   84.061  214.652   17.435  220.120   15.390 -5.467636 23.25578 
1 1 1   23    6   14 o  186.713   12.294  442.584   57.002  366.463   84.773  505.401   77.010  167.215   20.748  198.597   15.655 -31.38239 25.99129 
1 1 1   23    6   15 o  225.135   11.910  642.615   66.718  584.250   99.658  690.019   89.814  212.143   19.014  232.082   15.588 -19.93929 24.58649 
1 1 1   23    6   16 o  158.631   11.802  320.116   46.417  316.097   71.406  323.056   61.082  155.471   18.772  158.266   15.661 -2.794312 24.44697 
1 1 1   23    6   17 o   61.899   18.091   50.515   29.724   48.291   50.769   51.676   36.664   65.431   23.885   63.459   20.393 1.972202 31.40644 
1 1 1   23    6   18 o  119.973   13.218  185.392   38.945  176.451   62.909  190.948   49.590  113.730   22.942  120.642   16.926 -6.911751 28.51036 
1 1 1   23    6   19 o  107.191   14.287  149.506   37.292  108.547   65.986  168.727   45.203   88.518   27.212  113.281   16.461 -24.76322 31.80340 
1 1 1   23    6   20 o  223.488   17.764  654.052   98.320  654.052   98.320   0.0000   0.0000  223.488   17.764  ?   ?  0.000000 17.76375 
1 1 1   23    6   21 o   83.396   15.738   92.669   31.574   84.446   53.949   96.953   38.940   78.491   24.684   84.384   18.944 -5.893242 31.11536 
1 1 1   23    6   22 o  173.353   11.589  384.826   49.877  343.727   80.108  410.845   63.739  159.585   20.581  177.926   14.471 -18.34154 25.15957 
1 1 1   23    6   23 o   93.746   15.014  116.410   33.961   98.770   58.224  125.507   41.810   83.573   25.540   96.292   18.051 -12.71883 31.27482 
1 1 1   23    6   24 o   85.185   15.622   97.177   32.008   70.531   55.647  110.352   39.128   72.768   25.162   90.023   18.034 -17.25520 30.95765 
1 1 1   23    6   25 o  104.389   13.935  143.339   35.418   72.382   59.595  182.089   44.040   73.630   26.001  117.236   15.417 -43.60570 30.22793 
1 1 1   23    6   26 o   86.880   15.811  101.775   33.038   54.603   58.105  124.312   40.162   67.243   25.364   95.532   17.479 -28.28918 30.80344 
1 1 1   23    6   27 o   44.992   18.333   13.871   32.443  208.369  195.508   8.3632   32.900  107.457   44.522   43.316   18.131 64.14093 48.07201 
1 1 1   23    6   28 o  151.826   19.940  320.051   73.770  494.619  227.743  299.587   77.974  145.781   50.876  145.139   22.221 0.6426086 55.51739 
1 1 1   23    7    0 o  291.439   12.159  1069.20   88.490  971.956  125.587  1165.09  124.707  275.873   18.334  302.747   16.558 -26.87363 24.70447 
1 1 1   23    7    1 o  374.221   14.285  1768.26  133.493  1594.68  189.085  1940.76  188.492  352.254   21.600  390.241   19.342 -37.98746 28.99460 
1 1 1   23    7    2 o  279.233   12.496  981.942   87.135  899.895  124.184  1061.51  122.293  265.236   18.872  288.791   17.033 -23.55502 25.42225 
1 1 1   23    7    3 o  266.726   12.191  895.606   81.200  897.144  116.845  894.169  112.924  265.184   17.747  264.926   17.161 0.2582703 24.68740 
1 1 1   23    7    4 o  292.634   12.016  1077.85   87.806  1060.07  125.975  1094.66  122.454  288.392   17.576  293.337   16.787 -4.944305 24.30466 
1 1 1   23    7    5 o  278.642   11.543  976.716   80.320  954.402  115.824  997.388  111.480  273.740   17.028  280.177   16.000 -6.437317 23.36564 
1 1 1   23    7    6 o   91.443   14.286  108.058   31.555  103.060   48.822  111.644   41.353   87.941   22.222   92.067   18.626 -4.125671 28.99607 
1 1 1   23    7    7 o  220.513   11.374  613.321   62.420  557.086   90.518  664.310   86.192  208.663   17.534  228.642   15.182 -19.97897 23.19363 
1 1 1   23    7    8 o  307.975   13.217  1196.68  101.650  978.518  145.155  1406.62  142.394  275.481   21.265  332.279   17.220 -56.79843 27.36278 
1 1 1   23    7    9 o  101.789   19.034  136.282   46.603  133.189   52.732  147.316   99.597  100.002   21.737  105.252   33.589 -5.250572 40.00845 
1 1 1   23    7   10 o   91.843   21.585  112.633   48.667   81.789   55.456  215.988  101.514   79.540   25.028  125.085   32.281 -45.54445 40.84748 
1 1 1   23    7   11 o   93.368   21.434  116.455   48.917   85.730   56.366  210.209   98.460   81.081   25.187  123.344   31.772 -42.26327 40.54430 
1 1 1   23    7   12 o   99.808   21.002  132.760   50.688  133.942   59.288  129.547   97.717   99.633   24.094   99.622   33.365 0.1100922E-01 41.15501 
1 1 1   23    7   13 o  129.962   18.093  219.903   57.127  160.832   67.506  368.932  107.224  108.858   25.312  165.680   26.834 -56.82233 36.88860 
1 1 1   23    7   14 o  189.234   16.606  460.303   77.678  454.554   98.374  469.823  126.596  186.247   21.550  186.483   28.054 -0.2360840 35.37515 
1 1 1   23    7   15 o  165.843   16.886  355.225   68.956  323.192   85.362  415.385  116.982  156.096   22.553  174.964   27.697 -18.86731 35.71757 
1 1 1   23    7   16 o   85.047   21.504   97.734   45.696   93.916   53.069  108.683   89.867   83.424   24.113   91.845   31.964 -8.420959 40.03958 
1 1 1   23    7   17 o  152.653   12.024  296.958   45.465  285.153   70.406  305.401   59.545  147.131   19.654  153.741   15.731 -6.609741 25.17454 
1 1 1   23    7   18 o   88.145   15.367  102.189   32.595   86.092   53.773  111.539   40.983   79.977   24.561   91.273   18.612 -11.29623 30.81649 
1 1 1   23    7   19 o  170.834   14.038  375.344   59.359  392.746  165.730  372.783   63.576  158.820   41.374  169.844   15.149 -11.02382 44.05991 
1 1 1   23    7   20 f  125.572   12.904  203.142   39.887  198.321   64.074  206.193   50.966  120.666   22.078  125.255   16.711 -4.589554 27.68932 
1 1 1   23    7   21 o  153.286   11.937  301.010   45.331  289.758   72.886  308.108   57.890  146.897   20.422  153.877   15.267 -6.980240 25.49739 
1 1 1   23    7   22 o   30.963   14.083 -13.4495   23.846   41.708   45.039 -34.9343   28.109   60.689   22.441   29.226   13.928 31.46352 26.41174 
1 1 1   23    7   23 o  197.768   11.665  500.859   57.354  422.091   90.981  552.805   73.884  176.592   21.046  206.471   14.420 -29.87898 25.51229 
1 1 1   23    7   24 o  159.785   11.964  328.398   47.391  297.431   78.041  346.489   59.650  147.122   21.910  162.903   14.825 -15.78079 26.45473 
1 1 1   23    7   25 o  139.520   12.331  251.674   42.521  172.480   69.685  298.651   53.670  109.028   25.966  151.174   14.391 -42.14610 29.68737 
1 1 1   23    7   26 o   47.180   17.358   24.687   26.888  103.584   49.885  -7.6191   31.921   85.170   22.941   38.075   16.882 47.09525 28.48351 
1 1 1   23    7   27 f   34.827   15.257  -3.6676   25.346  -5.1850   48.237  -3.0888   29.790   47.343   20.884   37.951   16.585 9.391933 26.66852 
1 1 1   23    7   28 o   33.576   15.016  -8.5182   25.823   8.6813   49.056 -15.1111   30.372   50.831   21.742   34.908   15.884 15.92281 26.92638 
1 1 1   23    7   29 o   73.722   17.904   76.157   32.632   7.8791   58.802  106.542   39.227   54.088   23.474   87.161   18.590 -33.07278 29.94320 
1 1 1   23    8    0 o   75.644   15.443   74.968   28.185   79.764   43.747   71.564   36.853   77.752   21.703   73.627   19.670 4.124695 29.29097 
1 1 1   23    8    1 o  443.966   14.852  2491.55  164.658  2386.38  233.474  2595.62  232.253  430.975   21.764  450.581   20.641 -19.60614 29.99577 
1 1 1   23    8    2 o  341.380   12.492  1467.85  106.492  1400.21  151.319  1534.22  149.895  331.280   18.363  347.644   17.266 -16.36404 25.20592 
1 1 1   23    8    3 o  258.492   11.057  840.013   71.372  762.398  101.860  914.870  100.034  244.631   16.775  268.601   14.973 -23.96938 22.48594 
1 1 1   23    8    4 o   95.238   13.446  116.590   31.088  123.274   47.830  111.701   40.908   96.487   20.484   92.146   18.422 4.340752 27.54933 
1 1 1   23    8    5 o  232.495   11.174  679.708   64.873  653.440   93.752  703.839   89.860  226.390   16.701  235.366   15.373 -8.975601 22.69945 
1 1 1   23    8    6 o  106.341   13.221  144.741   34.350  127.655   51.696  158.248   45.963   97.965   21.703  110.392   17.237 -12.42683 27.71540 
1 1 1   23    8    7 o   95.656   20.493  121.298   47.479  106.007   53.947  173.845  100.005   89.113   23.795  113.075   33.222 -23.96201 40.86441 
1 1 1   23    8    8 o  142.972   17.464  263.512   61.053  260.456   72.597  270.894  112.841  141.089   21.266  140.270   32.801 0.8197021 39.09105 
1 1 1   23    8    9 o  167.217   16.433  358.163   67.735  316.105   81.916  449.085  120.444  155.514   21.683  183.867   27.039 -28.35358 34.65979 
1 1 1   23    8   10 o  175.755   16.242  395.332   70.479  350.460   86.333  484.991  122.035  163.822   21.633  191.398   26.222 -27.57607 33.99377 
1 1 1   23    8   11 o  104.776   20.390  145.332   51.428  128.297   58.978  199.388  105.060   97.607   24.293  120.011   33.681 -22.40419 41.52783 
1 1 1   23    8   12 o  193.878   15.993  480.780   76.740  425.308   96.229  577.688  127.188  180.412   21.802  209.370   24.809 -28.95757 33.02740 
1 1 1   23    8   13 o  173.119   16.328  384.763   69.753  326.501   85.799  498.339  119.793  157.389   22.468  193.811   25.360 -36.42125 33.88111 
1 1 1   23    8   14 o  240.036   16.232  737.493   96.727  617.261  123.691  926.757  155.191  216.703   23.219  265.736   23.633 -49.03264 33.13054 
1 1 1   23    8   15 o  157.441   17.007  320.445   65.804  264.492   79.841  438.958  116.197  140.640   23.567  180.628   26.553 -39.98820 35.50344 
1 1 1   23    8   16 o   52.462   21.181   17.688   42.853   23.219   49.522   1.2027   85.496   57.048   22.862   65.725   28.414 -8.676765 36.46982 
1 1 1   23    8   17 o   69.953   22.792   62.820   45.697   35.633   53.610  135.072   87.396   62.264   24.140   99.069   31.448 -36.80502 39.64491 
1 1 1   23    8   18 o  131.563   18.730  228.100   59.798  241.768   74.861  204.006   99.396  133.737   23.260  119.158   32.503 14.57922 39.96884 
1 1 1   23    8   19 o   94.772   25.392  124.721   61.306  124.721   61.306   0.0000   0.0000   94.772   25.392  ?   ?  0.000000 25.39172 
1 1 1   23    8   20 o  164.552   16.395  352.645   66.474  321.010   85.548  400.854  105.605  153.954   22.954  170.865   25.534 -16.91072 34.33411 
1 1 1   23    8   21 o   75.474   22.349   77.640   45.104   71.634   55.754   89.015   76.730   74.135   25.201   82.765   29.473 -8.630493 38.77832 
1 1 1   23    8   22 o   44.194   16.881   18.459   25.941   12.798   46.147   21.075   31.366   51.782   21.557   47.873   18.491 3.909157 28.40117 
1 1 1   23    8   23 o  256.566   11.839  840.216   75.850  817.417  117.375  856.564   99.391  248.173   19.086  256.595   15.585 -8.421799 24.64067 
1 1 1   23    8   24 o   72.637   16.777   71.543   29.817   1.0481   51.307  107.494   36.640   50.771   21.980   89.315   17.050 -38.54436 27.81779 
1 1 1   23    8   25 o  120.149   12.756  187.387   37.687  161.346   63.447  201.585   46.848  106.337   24.410  123.579   15.523 -17.24214 28.92756 
1 1 1   23    8   26 o   69.143   17.243   65.443   29.671   29.637   52.386   82.354   36.002   58.448   23.482   77.179   18.844 -18.73161 30.10775 
1 1 1   23    8   27 o   94.561   14.903  119.202   34.025   64.716   59.483  145.701   41.482   70.746   25.849  104.051   16.517 -33.30455 30.67563 
1 1 1   23    8   28 o   40.366   16.452   10.359   26.135  -3.6230   48.244   16.167   31.092   47.603   20.947   45.204   18.115 2.398922 27.69351 
1 1 1   23    8   29 o   91.299   15.383  112.637   33.826   55.889   58.974  140.460   41.294   66.992   25.485  101.453   16.893 -34.46102 30.57528 
1 1 1   23    9    0 o  239.247   11.070  719.757   66.135  718.608   94.596  720.856   92.497  237.622   16.035  238.103   15.644 -0.4814606 22.40216 
1 1 1   23    9    1 o  279.588   11.894  983.961   83.040  948.843  118.215  1018.17  116.673  272.763   17.447  282.868   16.590 -10.10461 24.07523 
1 1 1   23    9    2 o  151.873   11.471  291.775   43.185  275.275   62.499  306.852   59.741  146.229   17.461  154.928   15.657 -8.698639 23.45214 
1 1 1   23    9    3 o  212.613   11.663  570.476   61.686  509.095   88.141  629.403   86.362  199.349   17.896  222.441   15.647 -23.09190 23.77200 
1 1 1   23    9    4 f  147.814   11.458  276.472   41.965  271.195   61.429  281.089   57.464  145.168   17.285  148.188   15.771 -3.019821 23.39881 
1 1 1   23    9    5 f  237.087   11.838  707.515   70.089  642.225  100.400  769.581   97.890  223.997   18.104  245.951   16.026 -21.95348 24.17791 
1 1 1   23    9    6 o  182.562   15.693  425.082   70.846  344.658   85.857  596.699  125.418  162.619   21.683  213.887   23.890 -51.26823 32.26209 
1 1 1   23    9    7 o  218.341   16.014  607.348   86.703  541.122  108.582  723.873  144.030  204.333   21.608  235.342   24.885 -31.00952 32.95693 
1 1 1   23    9    8 o  299.282   17.451  1142.56  129.857  1075.10  171.861  1232.31  198.243  287.508   24.161  306.934   26.112 -19.42633 35.57576 
1 1 1   23    9    9 o  294.522   16.561  1104.74  121.306  887.963  157.498  1420.87  190.196  260.875   24.462  331.167   23.144 -70.29214 33.67569 
1 1 1   23    9   10 o  340.723   14.538  1469.08  123.693  1244.35  207.665  1592.65  153.989  307.399   27.338  353.733   17.433 -46.33395 32.42319 
1 1 1   23    9   11 o  115.689   13.246  171.179   37.579  109.138   56.143  221.535   50.580   90.194   24.356  131.235   15.749 -41.04105 29.00368 
1 1 1   23    9   12 o  101.320   13.551  132.019   33.427  104.239   51.403  152.375   44.002   88.146   23.080  108.208   16.831 -20.06192 28.56551 
1 1 1   23    9   13 o  129.602   11.975  213.674   38.318  195.692   58.402  227.266   50.774  122.007   19.851  132.872   15.599 -10.86542 25.24679 
1 1 1   23    9   14 o  221.407   11.401  619.856   62.820  551.505   92.369  678.678   85.688  206.826   18.065  230.682   14.956 -23.85573 23.45271 
1 1 1   23    9   15 o  107.806   13.418  149.442   35.341   97.959   55.064  185.503   46.085   85.345   24.532  119.683   15.806 -34.33784 29.18286 
1 1 1   23    9   16 f  306.041   13.116  1187.36  100.239  1021.03  145.501  1337.63  138.291  279.838   20.974  322.649   17.226 -42.81052 27.14120 
1 1 1   23    9   17 o  130.815   13.038  219.187   42.025  187.093   65.564  241.569   54.751  117.632   23.144  136.444   16.397 -18.81248 28.36415 
1 1 1   23    9   18 o  374.390   17.579  1806.29  164.351  1547.89  309.161  1908.07  194.040  326.430   38.679  382.271   20.401 -55.84103 43.72909 
1 1 1   23    9   19 o  109.042   13.771  153.862   36.661  123.405   58.387  173.685   47.104   94.517   24.526  115.001   16.907 -20.48457 29.78875 
1 1 1   23    9   20 o  162.116   11.765  335.388   47.304  349.796   74.727  325.754   61.106  162.988   18.698  158.457   15.647 4.530884 24.38157 
1 1 1   23    9   21 o   50.147   20.500   14.973   40.731   34.720   48.587 -31.7144   74.708   59.677   23.025   54.960   24.971 4.716827 33.96596 
1 1 1   23    9   22 o   83.711   21.992   96.932   46.570   67.666   56.937  156.081   80.944   72.763   25.436  103.664   29.727 -30.90087 39.12408 
1 1 1   23    9   23 f  270.191   16.455  952.738  110.496  758.296  149.932  1183.89  163.474  233.381   26.178  296.122   22.270 -62.74034 34.36884 
1 1 1   23    9   24 o  109.131   19.115  161.397   50.194  140.465   65.033  192.239   78.941   98.882   25.994  114.963   27.802 -16.08096 38.06105 
1 1 1   23    9   25 o   86.840   21.287  105.267   45.805   31.103   58.417  223.650   73.805   61.146   24.715  125.869   24.362 -64.72343 34.70320 
1 1 1   23    9   26 o  195.551   11.902  491.719   57.844  390.569   93.537  554.356   73.606  167.755   22.929  206.331   14.375 -38.57590 27.06244 
1 1 1   23    9   27 o   72.001   16.734   70.846   29.516   55.089   53.868   77.607   35.285   66.702   24.565   74.809   18.885 -8.107399 30.98515 
1 1 1   23    9   28 o   49.134   17.481   28.887   26.987   74.026   52.122   12.354   31.545   72.879   24.368   44.078   18.032 28.80143 30.31451 
1 1 1   23    9   29 o  129.711   12.618  219.825   40.354  201.396   69.781  229.085   49.464  117.265   24.614  131.059   15.408 -13.79382 29.03876 
1 1 1   23    9   30 o   89.989   15.080  109.463   32.688  119.043   57.972  104.998   39.580   88.972   25.037   86.371   18.878 2.601227 31.35629 
1 1 1   23   10    0 o  240.680   10.715  728.244   64.401  764.161   92.169  693.981   90.023  245.269   15.122  233.584   15.522 11.68439 21.67025 
1 1 1   23   10    1 o  320.784   12.661  1297.03  101.421  1265.95  143.824  1327.78  143.040  314.779   18.377  322.614   17.824 -7.834534 25.60095 
1 1 1   23   10    2 o  417.625   14.732  2205.49  153.638  2202.69  217.445  2208.28  217.110  414.132   21.096  414.693   21.034 -0.5608826 29.79062 
1 1 1   23   10    3 o  300.255   11.731  1134.73   87.961  1100.29  124.711  1168.83  124.082  293.883   17.067  303.138   16.453 -9.254730 23.70617 
1 1 1   23   10    4 o  411.237   14.216  2136.60  145.991  2129.55  207.434  2143.53  205.504  408.054   20.357  409.514   20.096 -1.460663 28.60479 
1 1 1   23   10    5 o  364.570   15.255  1682.27  138.879  1571.03  166.990  1931.79  250.104  350.460   19.154  384.865   26.179 -34.40436 32.43745 
1 1 1   23   10    6 o  166.754   16.106  355.655   66.234  314.122   79.090  453.175  121.193  155.322   20.923  184.850   27.056 -29.52753 34.20219 
1 1 1   23   10    7 o  268.009   15.971  913.676  106.404  725.099  136.218  1208.83  170.418  236.081   23.415  305.792   22.475 -69.71054 32.45553 
1 1 1   23   10    8 o  383.375   15.549  1862.29  148.856  1578.18  250.447  2017.48  185.099  345.516   29.303  397.766   18.635 -52.24997 34.72620 
1 1 1   23   10    9 o  169.445   11.287  362.909   47.485  279.622   69.487  435.879   65.041  146.739   19.442  185.159   14.174 -38.41934 24.06007 
1 1 1   23   10   10 o  165.169   11.358  345.037   46.561  304.382   68.740  379.504   63.292  153.475   18.296  172.512   14.836 -19.03679 23.55574 
1 1 1   23   10   11 o  139.978   11.799  248.619   40.859  237.691   61.200  257.407   54.881  135.245   18.614  141.577   15.792 -6.332108 24.41092 
1 1 1   23   10   12 o  152.060   11.653  293.089   43.912  237.381   65.202  339.328   59.403  134.686   19.993  162.987   14.755 -28.30061 24.84810 
1 1 1   23   10   13 o  188.815   11.763  451.333   55.185  396.809   80.878  498.832   75.488  175.094   18.791  197.595   15.421 -22.50092 24.30863 
1 1 1   23   10   14 o   95.856   13.999  118.796   32.522  112.898   51.435  122.724   41.978   91.539   22.630   96.460   18.092 -4.921082 28.97264 
1 1 1   23   10   15 o  123.205   12.928  194.151   39.182  135.582   60.197  237.203   51.611   99.894   24.352  135.664   15.513 -35.76995 28.87394 
1 1 1   23   10   16 o  461.741   15.403  2717.70  177.607  2572.25  254.741  2855.29  247.753  443.066   23.104  469.050   21.152 -25.98361 31.32405 
1 1 1   23   10   17 o  194.551   13.079  482.295   63.170  347.112  105.317  558.261   78.949  159.344   27.459  208.643   15.259 -49.29906 31.41344 
1 1 1   23   10   18 o  171.919   18.111  385.129   76.584  385.129   76.584   0.0000   0.0000  171.919   18.111  ?   ?  0.000000 18.11127 
1 1 1   23   10   19 o  124.047   12.973  197.702   39.591   91.565   61.333  273.519   51.838   82.626   26.357  145.673   14.440 -63.04670 30.05379 
1 1 1   23   10   20 o   72.878   16.477   71.037   29.282   57.188   49.660   78.418   36.255   68.104   23.758   76.152   19.099 -8.048782 30.48283 
1 1 1   23   10   21 o   63.025   17.435   53.172   28.364   45.033   49.275   57.206   34.688   63.435   23.469   65.528   19.644 -2.093765 30.60574 
1 1 1   23   10   22 o  160.517   11.878  329.782   47.272  266.715   74.403  372.476   61.217  140.119   21.988  169.620   14.595 -29.50134 26.39037 
1 1 1   23   10   23 o  221.009   11.863  624.537   65.235  509.722  101.333  705.799   85.250  194.628   21.192  233.552   14.692 -38.92372 25.78666 
1 1 1   23   10   24 o   70.324   16.911   67.023   29.332   59.620   52.083   70.462   35.497   68.696   24.302   71.733   19.365 -3.036972 31.07367 
1 1 1   23   10   25 o   67.799   17.711   62.649   30.314   34.024   53.118   76.474   36.916   60.344   23.841   74.500   19.584 -14.15684 30.85336 
1 1 1   23   10   26 o  167.672   16.088  370.362   66.536  298.192   89.256  460.624   99.819  144.686   25.642  183.007   22.303 -38.32033 33.98482 
1 1 1   23   10   27 o  113.467   18.086  174.336   49.525  133.640   65.105  230.225   76.296   95.441   26.418  126.707   25.001 -31.26578 36.37276 
1 1 1   23   10   28 o   66.907   21.686   61.181   41.394   33.754   55.189   96.450   62.584   60.222   24.134   81.693   26.676 -21.47064 35.97300 
1 1 1   23   10   29 o  132.678   12.398  229.291   40.602  173.518   69.459  258.240   50.041  107.945   26.063  139.818   14.545 -31.87344 29.84695 
1 1 1   23   10   30 o   65.985   17.585   60.637   29.499   67.658   53.942   57.642   35.235   70.035   24.736   64.337   19.903 5.697617 31.74899 
1 1 1   23   11    0 o  113.324   12.607  163.873   35.071  138.930   51.925  184.797   47.558  102.324   21.024  119.614   16.350 -17.28974 26.63345 
1 1 1   23   11    1 o  245.315   11.767  757.794   72.087  722.390  101.998  793.129  101.896  237.761   17.298  249.452   16.450 -11.69136 23.87062 
1 1 1   23   11    2 o  254.982   11.622  818.460   74.001  795.542  104.828  841.225  104.479  249.709   16.911  256.981   16.366 -7.271591 23.53331 
1 1 1   23   11    3 o  135.666   11.746  233.417   39.402  220.558   57.344  244.919   54.232  130.456   18.089  138.104   16.023 -7.647598 24.16526 
1 1 1   23   11    4 o  277.703   11.453  970.537   79.422  913.148  112.674  1027.21  111.967  267.611   16.948  284.258   15.836 -16.64651 23.19540 
1 1 1   23   11    5 o   68.577   21.467   60.048   40.855   39.707   44.358  173.800  104.898   61.114   22.324  113.096   34.219 -51.98237 40.85680 
1 1 1   23   11    6 o  279.896   16.124  996.786  112.220  798.276  143.184  1312.90  180.685  247.754   23.421  318.490   22.871 -70.73621 32.73532 
1 1 1   23   11    7 o  358.152   18.140  1637.96  161.708  1381.92  215.659  1966.82  244.409  324.597   26.847  388.565   25.327 -63.96747 36.90795 
1 1 1   23   11    8 o  284.184   12.097  1017.59   85.850  1079.22  123.635  960.216  119.300  290.877   17.096  274.173   17.516 16.70453 24.47640 
1 1 1   23   11    9 o  379.082   12.824  1813.09  121.395  1826.46  173.355  1800.21  170.049  378.428   18.344  375.794   18.121 2.633728 25.78514 
1 1 1   23   11   10 o  238.165   11.478  714.341   68.262  678.707   98.649  747.079   94.556  230.297   17.279  242.173   15.721 -11.87543 23.36065 
1 1 1   23   11   11 o  171.395   11.264  371.486   47.944  323.696   70.449  412.714   65.433  158.295   18.150  179.928   14.691 -21.63225 23.35068 
1 1 1   23   11   12 o  224.605   12.151  638.226   67.902  579.118   98.453  691.847   93.773  211.975   18.794  232.709   16.238 -20.73363 24.83752 
1 1 1   23   11   13 o  335.808   12.903  1425.31  108.205  1400.29  155.585  1448.76  150.586  330.032   18.958  336.186   18.003 -6.153809 26.14364 
1 1 1   23   11   14 o  197.202   11.472  492.141   56.248  477.273   83.056  504.737   76.448  192.504   17.468  198.627   15.536 -6.123550 23.37736 
1 1 1   23   11   15 o  143.230   12.336  261.204   43.691  214.721   65.760  297.937   58.458  127.190   21.469  152.204   15.601 -25.01398 26.53838 
1 1 1   23   11   16 o  235.519   11.947  703.003   70.036  627.709  102.868  768.062   95.621  220.053   18.903  244.903   15.718 -24.85037 24.58469 
1 1 1   23   11   17 o  146.194   12.101  272.302   43.779  238.852   67.330  296.802   57.623  134.239   20.755  151.761   15.419 -17.52177 25.85573 
1 1 1   23   11   18 o   98.782   14.027  126.573   33.631   67.444   53.104  166.167   43.455   72.962   24.596  112.923   15.847 -39.96060 29.25850 
1 1 1   23   11   19 o  197.937   11.833  498.360   58.219  428.715   87.297  554.149   78.132  180.588   19.676  207.559   15.180 -26.97093 24.85121 
1 1 1   23   11   20 o   95.114   14.294  118.049   32.901  105.733   54.005  125.317   41.489   87.598   23.985   97.013   17.781 -9.414948 29.85704 
1 1 1   23   11   21 o   84.202   15.485   93.873   31.361   32.355   51.591  129.926   39.496   60.028   23.566   99.087   16.545 -39.05847 28.79403 
1 1 1   23   11   22 o  202.237   11.670  521.942   58.686  459.675   90.742  566.714   76.944  185.982   19.845  209.407   14.810 -23.42506 24.76167 
1 1 1   23   11   23 o  258.192   12.139  850.620   78.265  736.199  118.607  938.867  104.161  234.911   20.422  268.997   15.573 -34.08546 25.68213 
1 1 1   23   11   24 o  107.858   13.512  151.566   35.595  125.536   59.260  166.259   44.521   94.040   24.858  111.998   16.405 -17.95786 29.78304 
1 1 1   23   11   25 o   40.985   16.326   12.504   25.097  -6.7669   45.870   20.737   29.983   46.329   20.405   46.953   18.095 -0.6242104 27.27250 
1 1 1   23   11   26 o  116.641   13.116  177.049   37.541   95.028   62.556  223.213   46.931   82.088   26.663  130.511   14.653 -48.42265 30.42425 
1 1 1   23   11   27 o   50.121   17.202   31.047   25.983   37.447   49.295   28.585   30.575   59.904   23.170   50.422   18.516 9.482765 29.65948 
1 1 1   23   11   28 o   47.855   17.134   26.833   25.966   27.891   49.170   26.424   30.577   56.645   22.752   49.346   18.442 7.298607 29.28768 
1 1 1   23   11   29 o   65.100   21.719   57.377   41.406   1.6685   55.168  129.234   62.656   51.859   22.619   93.269   25.952 -41.41062 34.42601 
1 1 1   23   11   30 o   59.400   21.306   44.784   40.165   45.534   54.221   43.871   59.791   62.894   24.307   63.750   25.260 -0.8559723 35.05558 
1 1 1   23   12    0 o  260.120   12.308  853.207   79.946  787.645  112.765  919.460  113.358  247.811   18.353  268.330   17.005 -20.51953 25.02012 
1 1 1   23   12    1 o  146.093   11.641  270.471   42.118  249.531   60.714  289.896   58.476  138.863   17.927  150.381   15.808 -11.51837 23.90151 
1 1 1   23   12    2 o  113.920   11.750  165.149   32.947  222.685   49.466  119.270   44.172  131.720   15.325   94.996   19.279 36.72402 24.62797 
1 1 1   23   12    3 o  192.500   11.078  467.768   53.026  457.932   75.680  477.253   74.319  189.301   16.164  193.452   15.515 -4.150925 22.40535 
1 1 1   23   12    4 f  208.334   10.616  547.146   55.048  615.951   79.274  483.071   76.500  220.201   14.498  194.544   15.886 25.65681 21.50649 
1 1 1   23   12    5 o   63.654   21.252   49.487   39.643   62.113   42.862 -25.2263  104.263   69.776   22.010   68.709   30.486 1.066338 37.60100 
1 1 1   23   12    6 o  180.996   16.253  419.001   72.678  395.749   86.859  473.287  132.719  174.703   20.287  187.842   29.246 -13.13823 35.59325 
1 1 1   23   12    7 o  395.637   15.453  1984.04  152.676  1701.33  256.146  2139.83  190.144  358.811   28.831  409.509   18.594 -50.69788 34.30642 
1 1 1   23   12    8 f  241.293   11.656  733.312   70.234  658.568  100.462  804.768   98.228  226.679   17.893  251.419   15.724 -24.73985 23.82053 
1 1 1   23   12    9 o  423.294   14.175  2266.65  149.839  2238.53  213.241  2294.07  210.592  417.741   20.442  423.171   19.928 -5.429382 28.54823 
1 1 1   23   12   10 o  201.915   10.917  514.574   54.843  465.877   79.336  559.143   75.899  190.660   16.836  209.640   14.589 -18.98062 22.27770 
1 1 1   23   12   11 o  292.256   11.986  1077.05   87.478  1073.62  125.598  1080.29  121.909  289.713   17.442  290.841   16.858 -1.128296 24.25690 
1 1 1   23   12   12 o  254.776   11.570  818.258   73.612  787.639  106.326  846.444  102.014  247.955   17.280  257.564   15.939 -9.609116 23.50832 
1 1 1   23   12   13 o  217.028   11.206  595.179   60.526  578.422   88.235  610.071   83.181  212.384   16.773  218.615   15.334 -6.231445 22.72596 
1 1 1   23   12   14 o  279.021   11.690  982.543   81.451  926.785  117.978  1033.32  112.590  268.611   17.687  284.432   15.915 -15.82135 23.79371 
1 1 1   23   12   15 o  109.817   13.233  154.873   35.559   81.207   54.519  209.414   46.911   78.762   24.821  127.484   15.024 -48.72142 29.01397 
1 1 1   23   12   16 o  101.721   18.178  136.625   44.481   0.0000   0.0000  136.625   44.481  ?   ?   101.721   18.178 0.000000 18.17831 
1 1 1   23   12   17 o  151.778   17.932  300.050   66.651  300.050   66.651   0.0000   0.0000  151.778   17.932  ?   ?  0.000000 17.93164 
1 1 1   23   12   18 o  243.016   11.651  747.510   70.706  669.970  104.128  813.850   96.315  227.055   18.526  251.869   15.387 -24.81403 24.08279 
1 1 1   23   12   19 o  100.730   13.967  131.669   34.188   92.667   54.575  156.858   43.860   82.629   24.611  109.337   16.584 -26.70774 29.67704 
1 1 1   23   12   20 o  146.427   11.899  273.869   43.133  246.490   67.082  293.168   56.319  135.940   20.390  150.498   15.194 -14.55775 25.42827 
1 1 1   23   12   21 o  114.851   13.202  170.403   37.175   99.228   59.017  217.219   47.864   84.854   25.665  129.228   15.118 -44.37395 29.78679 
1 1 1   23   12   22 o  240.591   11.604  736.108   69.714  730.647  106.093  740.258   92.483  236.025   18.139  239.080   15.576 -3.055313 23.90869 
1 1 1   23   12   23 o  343.057   13.568  1509.33  116.237  1399.41  171.445  1602.84  158.129  323.533   21.340  349.469   18.183 -25.93619 28.03596 
1 1 1   23   12   24 f   66.309   17.040   59.519   28.369   44.904   50.537   66.244   34.279   63.283   23.698   69.702   19.119 -6.418724 30.44864 
1 1 1   23   12   25 o  135.756   12.280  237.647   41.181  215.954   67.113  250.747   52.153  124.980   22.323  138.276   15.363 -13.29588 27.09876 
1 1 1   23   12   26 o   50.534   17.275   31.517   26.200   38.317   48.476   28.711   31.141   60.174   23.054   50.802   18.682 9.371582 29.67322 
1 1 1   23   12   27 o   50.733   17.401   31.850   26.586   9.1806   47.479   42.205   32.088   50.899   21.568   57.216   19.120 -6.317177 28.82261 
1 1 1   23   12   28 o   71.933   16.587   70.640   29.185   23.711   52.814   91.271   35.018   56.774   23.292   81.578   17.698 -24.80383 29.25284 
1 1 1   23   12   29 o   54.076   17.217   38.683   26.179   71.362   51.023   27.006   30.499   71.789   24.109   49.472   18.432 22.31692 30.34825 
1 1 1   23   12   30 o   57.422   17.459   44.803   27.259   6.1237   51.442   59.905   32.143   51.186   22.085   65.604   18.707 -14.41842 28.94273 
1 1 1   23   12   31 o  137.518   12.083  246.704   41.074  213.508   71.601  262.986   50.145  120.146   24.690  140.739   14.474 -20.59284 28.62023 
1 1 1   23   13    0 o   96.264   18.373  122.110   42.555  112.805   45.407  189.274  121.994   92.036   20.302  117.305   37.146 -25.26865 42.33226 
1 1 1   23   13    1 o  162.824   11.331  335.480   45.785  364.070   66.147  309.185   63.438  168.607   15.898  155.070   16.642 13.53719 23.01556 
1 1 1   23   13    2 o  265.527   11.148  887.633   73.916  877.698  104.512  897.577  104.554  262.422   16.025  265.447   15.845 -3.025269 22.53617 
1 1 1   23   13    3 o  270.506   11.352  921.430   76.683  940.752  108.608  902.222  108.286  271.724   16.077  265.981   16.383 5.743256 22.95396 
1 1 1   23   13    4 o  320.766   12.252  1297.36   98.139  1279.51  138.727  1315.24  138.853  316.444   17.625  320.942   17.390 -4.498108 24.76034 
1 1 1   23   13    5 o  163.163   16.243  341.299   65.302  291.441   75.561  488.435  129.803  149.362   20.825  191.232   28.012 -41.87003 34.90485 
1 1 1   23   13    6 o  212.898   16.326  579.010   86.138  548.863  105.391  639.668  149.496  205.808   20.791  219.317   27.930 -13.50900 34.81947 
1 1 1   23   13    7 o  100.346   12.711  129.020   31.137  165.059   47.471  101.807   41.251  112.609   17.445   87.580   19.375 25.02966 26.07186 
1 1 1   23   13    8 o  143.911   11.012  262.168   39.274  270.479   58.154  255.199   53.252  145.028   16.342  141.063   15.366 3.964905 22.43174 
1 1 1   23   13    9 o  318.128   12.641  1277.34  100.420  1219.22  142.815  1334.17  141.228  308.352   18.635  323.072   17.571 -14.71933 25.61260 
1 1 1   23   13   10 o  207.121   12.215  542.991   62.899  486.309   90.501  595.954   87.482  194.114   18.910  215.900   16.347 -21.78523 24.99664 
1 1 1   23   13   11 o  346.932   12.850  1520.51  111.327  1500.91  158.828  1539.45  156.089  342.019   18.667  346.674   18.093 -4.655273 25.99627 
1 1 1   23   13   12 o   84.515   14.153   92.845   28.815   92.365   45.536   93.165   37.212   83.057   21.711   83.798   18.296 -0.7413254 28.39231 
1 1 1   23   13   13 o  106.279   13.104  144.959   34.040  115.630   52.166  166.710   44.923   92.635   22.723  113.299   16.351 -20.66337 27.99448 
1 1 1   23   13   14 o  268.442   11.284  908.986   75.644  905.095  109.745  912.508  104.408  265.811   16.617  267.257   15.713 -1.445099 22.86967 
1 1 1   23   13   15 o  240.656   11.792  731.658   70.866  630.899  102.785  822.953   97.838  220.761   18.825  253.705   15.518 -32.94359 24.39583 
1 1 1   23   13   16 f  203.697   11.820  526.266   59.865  441.034   87.667  600.734   81.945  183.955   19.376  216.594   15.248 -32.63902 24.65575 
1 1 1   23   13   17 o  110.544   13.065  157.103   35.367   81.282   54.527  212.166   46.467   78.515   24.831  128.230   14.782 -49.71465 28.89818 
1 1 1   23   13   18 o  244.227   11.284  754.429   68.817  737.861  101.685  768.430   93.476  238.973   17.154  244.697   15.376 -5.723907 23.03616 
1 1 1   23   13   19 o  170.619   11.831  370.730   50.098  317.198   75.344  413.154   67.073  154.951   19.934  179.080   15.140 -24.12973 25.03199 
1 1 1   23   13   20 o  333.415   12.630  1414.14  105.158  1412.52  153.715  1415.57  144.174  329.093   18.782  330.348   17.540 -1.255463 25.69869 
1 1 1   23   13   21 o  157.243   12.050  316.161   46.955  304.757   72.683  324.329   61.514  151.465   19.681  157.963   15.807 -6.497940 25.24297 
1 1 1   23   13   22 o  166.098   11.633  352.468   47.945  281.877   73.994  403.555   62.947  144.672   21.103  176.755   14.386 -32.08324 25.53955 
1 1 1   23   13   23 o  226.244   14.146  660.200   79.517  674.757   97.647  631.541  137.007  226.924   17.363  213.237   26.286 13.68640 31.50284 
1 1 1   23   13   24 o  146.842   12.172  277.209   44.232  224.120   70.500  311.674   56.803  127.282   23.028  154.697   14.888 -27.41544 27.42188 
1 1 1   23   13   25 o  173.674   11.594  386.566   49.993  368.954   79.589  398.044   64.251  165.785   19.604  174.824   14.858 -9.038727 24.59849 
1 1 1   23   13   26 o   93.218   14.446  114.762   32.539   64.985   55.422  140.945   40.196   70.917   25.071  102.853   16.185 -31.93568 29.84126 
1 1 1   23   13   27 o   69.749   16.252   66.058   27.782  119.057   51.554   44.369   32.980   91.714   22.645   58.450   19.378 33.26481 29.80475 
1 1 1   23   13   28 o  118.143   12.663  181.643   36.775  241.512   63.927  152.031   44.960  132.862   19.879  105.982   17.606 26.87964 26.55409 
1 1 1   23   13   29 o  111.936   13.374  164.427   36.644   92.486   62.793  201.579   45.124   80.234   26.745  123.381   14.951 -43.14607 30.64053 
1 1 1   23   13   30 o  114.334   13.339  171.932   37.368  127.891   65.079  193.594   45.643   92.203   26.718  120.366   15.549 -28.16274 30.91280 
1 1 1   23   13   31 o  139.032   12.315  252.334   42.315  131.055   72.901  313.958   51.966   91.793   28.666  154.474   13.610 -62.68119 31.73292 
1 1 1   23   14    0 o   81.972   19.528   89.602   39.405   79.258   41.463  186.070  126.624   77.139   20.973  116.329   37.942 -39.19004 43.35236 
1 1 1   23   14    1 o  280.486   13.752  995.768   96.323  951.403  110.977  1131.28  193.950  272.943   16.357  292.415   26.861 -19.47186 31.44960 
1 1 1   23   14    2 o  155.261   15.419  308.917   58.991  335.424   65.173  188.752  138.764  161.588   16.378  117.948   39.759 43.64053 42.99969 
1 1 1   23   14    3 o  446.197   15.480  2527.61  172.489  2422.64  243.123  2634.00  244.756  432.287   22.600  451.909   21.689 -19.62231 31.32368 
1 1 1   23   14    4 o  474.586   15.018  2856.26  177.987  2781.70  251.078  2931.59  252.350  464.509   21.645  477.182   21.177 -12.67230 30.28190 
1 1 1   23   14    5 o  250.552   16.024  800.776   99.732  649.639  122.247  1101.57  172.460  223.340   22.214  290.439   23.993 -67.09953 32.69744 
1 1 1   23   14    6 o  211.495   15.859  571.192   83.146  484.029   99.697  770.308  150.684  192.934   21.034  241.953   25.314 -49.01976 32.91239 
1 1 1   23   14    7 o  210.419   10.994  558.936   57.568  542.157   82.941  574.534   79.966  205.895   16.264  212.306   15.183 -6.410904 22.24966 
1 1 1   23   14    8 o  166.902   11.047  352.271   45.784  350.852   66.492  353.550   63.135  165.342   16.317  166.231   15.384 -0.8885040 22.42534 
1 1 1   23   14    9 o  123.014   11.719  192.454   35.564  208.917   52.936  178.911   48.013  126.968   17.133  117.407   16.860 9.561501 24.03774 
1 1 1   23   14   10 o  233.386   11.488  686.579   66.950  678.976   96.215  693.716   93.220  230.266   16.850  233.010   16.120 -2.743042 23.31864 
1 1 1   23   14   11 o  208.991   11.283  552.055   58.667  508.741   84.680  592.035   81.355  198.987   17.211  215.400   15.223 -16.41261 22.97706 
1 1 1   23   14   12 o   97.845   12.959  123.095   30.885  128.726   48.150  119.160   40.257   98.316   20.285   95.154   17.590 3.162109 26.84967 
1 1 1   23   14   13 o  216.546   11.500  593.265   61.963  597.179   89.762  589.701   85.642  215.679   16.799  214.554   16.102 1.125381 23.26939 
1 1 1   23   14   14 o  252.303   11.538  803.607   72.693  764.765  104.757  839.683  100.956  243.901   17.312  256.203   15.858 -12.30211 23.47707 
1 1 1   23   14   15 o  191.103   15.131  467.809   71.619   0.0000   0.0000  467.809   71.619  ?   ?   191.103   15.131 0.000000 15.13122 
1 1 1   23   14   16 o  203.779   17.089  535.810   86.157  535.810   86.157   0.0000   0.0000  203.779   17.089  ?   ?  0.000000 17.08861 
1 1 1   23   14   17 o  263.378   11.683  877.646   76.836  828.012  111.499  922.532  106.032  253.094   17.754  268.094   15.909 -15.00032 23.83923 
1 1 1   23   14   18 o  277.427   11.439  974.046   79.247  1052.09  116.621  907.096  108.017  285.881   16.404  265.402   16.378 20.47900 23.18075 
1 1 1   23   14   19 o  397.468   14.580  2019.12  144.719  1989.02  207.749  2047.49  201.710  388.782   21.482  395.369   20.501 -6.586700 29.69421 
1 1 1   23   14   20 o  285.682   11.972  1036.45   85.408  1126.67  125.427  958.455  116.623  294.844   17.109  271.776   17.274 23.06772 24.31241 
1 1 1   23   14   21 o  173.425   12.634  385.115   54.338  284.514   80.889  467.846   73.354  144.613   23.182  190.050   15.594 -45.43636 27.93896 
1 1 1   23   14   22 o  147.533   13.117  280.226   47.820  273.731   68.779  286.304   66.534  143.140   19.769  146.999   18.537 -3.859665 27.10075 
1 1 1   23   14   23 o  174.296   12.997  390.719   56.163  361.232   78.789  421.180   80.080  164.569   19.555  178.568   18.214 -13.99896 26.72307 
1 1 1   23   14   24 o  191.890   13.746  475.532   65.432  357.668   89.506  610.817   95.893  161.608   22.813  215.146   18.014 -53.53757 29.06829 
1 1 1   23   14   25 o  165.115   13.834  353.370   56.517  230.319   79.329  480.198   80.538  127.228   25.851  190.915   17.073 -63.68640 30.97988 
1 1 1   23   14   26 o  142.658   12.460  262.767   43.942  224.833   70.641  286.709   56.120  126.924   23.140  147.804   15.432 -20.88077 27.81432 
1 1 1   23   14   27 o   74.720   15.961   75.464   28.877   72.629   52.441   76.698   34.594   73.080   24.443   74.630   18.623 -1.550209 30.72846 
1 1 1   23   14   28 f  153.142   12.226  303.156   46.365  224.972   75.807  349.884   58.605  125.071   25.144  163.490   14.505 -38.41853 29.02763 
1 1 1   23   14   29 o  137.706   12.083  245.753   41.129  214.548   70.095  262.137   50.792  122.476   23.776  141.087   14.629 -18.61042 27.91605 
1 1 1   23   14   30 o  153.766   12.050  306.690   45.901  189.257   76.904  371.674   57.208  111.761   27.696  168.456   13.719 -56.69537 30.90755 
1 1 1   23   14   31 o   62.484   17.387   54.091   28.122   66.461   53.724   49.422   33.005   69.632   24.676   60.219   19.348 9.413403 31.35733 
1 1 1   23   15    0 o   57.934   19.729   40.320   34.170   34.706   35.506  110.756  125.764   55.861   20.033   98.450   37.272 -42.58943 42.31434 
1 1 1   23   15    1 o   66.007   20.234   56.434   36.512   63.038   38.232 -12.0435  123.115   69.339   20.587   76.106   33.476 -6.767212 39.29980 
1 1 1   23   15    2 o  362.110   16.129  1669.73  145.846  1654.70  172.974  1706.71  271.266  358.446   19.397  355.983   30.819 2.463043 36.41501 
1 1 1   23   15    3 o  146.829   15.319  276.717   55.340  245.800   60.080  449.770  142.143  137.592   17.910  180.487   32.743 -42.89490 37.32174 
1 1 1   23   15    4 o  293.953   15.329  1100.48  112.132  1118.56  132.022  1053.66  212.438  295.282   17.990  279.405   30.968 15.87662 35.81428 
1 1 1   23   15    5 o  256.250   14.326  834.706   91.308  769.075  105.506  1030.52  182.239  244.913   17.364  279.145   26.459 -34.23166 31.64795 
1 1 1   23   15    6 o  219.166   16.270  614.506   88.408  550.431  106.177  759.348  159.637  205.721   20.961  238.920   27.244 -33.19916 34.37418 
1 1 1   23   15    7 o  230.267   13.106  672.453   75.050  639.041  120.907  693.395   95.724  221.294   22.178  232.772   16.576 -11.47758 27.68789 
1 1 1   23   15    8 o  206.871   10.770  540.337   55.446  574.605   79.983  508.634   76.931  212.208   15.194  199.485   15.567 12.72337 21.75253 
1 1 1   23   15    9 o  243.015   11.361  744.479   68.946  763.034   98.486  726.646   96.550  244.309   16.236  238.358   16.319 5.950653 23.01960 
1 1 1   23   15   10 o  188.456   11.264  449.275   52.765  448.080   76.356  450.367   73.000  186.820   16.538  187.542   15.733 -0.7216187 22.82579 
1 1 1   23   15   11 o  448.874   15.049  2560.14  168.688  2538.69  239.354  2581.31  237.774  442.908   21.641  446.851   21.308 -3.942230 30.37071 
1 1 1   23   15   12 o  130.964   12.018  218.387   38.866  237.818   58.108  202.656   52.283  135.287   17.618  124.833   17.231 10.45422 24.64337 
1 1 1   23   15   13 o  273.465   12.095  945.078   82.598  892.680  118.326  994.876  115.352  263.252   18.110  278.621   16.655 -15.36911 24.60396 
1 1 1   23   15   14 o  192.479   11.366  469.314   54.390  461.694   80.697  475.658   73.626  189.146   17.275  192.629   15.436 -3.482239 23.16668 
1 1 1   23   15   15 o  177.465   14.836  403.664   65.145  407.516   74.280  390.829  135.595  177.624   16.952  166.211   33.819 11.41286 37.83016 
1 1 1   23   15   16 o  247.898   11.580  777.074   71.688  788.705  103.599  766.388   99.302  247.484   16.864  244.151   16.382 3.333191 23.51092 
1 1 1   23   15   17 o  324.619   13.372  1339.34  108.397  1267.32  154.923  1408.42  151.720  311.828   20.001  329.777   18.498 -17.94949 27.24349 
1 1 1   23   15   18 o  187.279   12.153  446.588   56.530  484.483   77.598  403.730   82.521  193.678   16.193  175.514   19.138 18.16441 25.06940 
1 1 1   23   15   19 o  312.018   16.949  1258.52  131.566  1666.60  220.948  1034.34  163.765  352.061   25.300  278.187   23.803 73.87393 34.73764 
1 1 1   23   15   20 o   59.405   18.570   45.851   30.585  104.437  127.002   42.244   31.512   94.660   37.028   57.765   18.932 36.89532 41.58717 
1 1 1   23   15   21 o  225.669   17.003  663.090   95.114  670.970  176.126  659.846  113.010  214.751   33.973  223.060   20.518 -8.309204 39.68842 
1 1 1   23   15   22 o  105.812   17.010  148.594   43.423  333.662  142.989  129.793   45.575  146.241   38.592   97.946   19.320 48.29520 43.15820 
1 1 1   23   15   23 o  169.844   16.943  378.720   70.902  347.438  160.526  386.302   79.029  145.707   41.887  170.571   18.870 -24.86444 45.94081 
1 1 1   23   15   24 o  146.641   16.693  283.345   60.039  429.106  163.222  260.538   64.565  163.033   40.317  139.470   19.035 23.56366 44.58474 
1 1 1   23   15   25 o  139.891   17.971  260.882   61.328   88.819  163.633  289.000   66.149   94.094   39.965  147.111   18.410 -53.01666 44.00103 
1 1 1   23   15   26 o   89.585   19.007  109.964   41.204  159.615  162.669  106.560   42.593  104.338   41.563   87.852   19.879 16.48627 46.07193 
1 1 1   23   15   27 o  159.751   17.613  340.120   69.097  323.286  186.810  342.788   74.371  132.454   46.086  159.557   19.042 -27.10310 49.86508 
1 1 1   23   15   28 o  141.107   17.734  267.200   61.109  300.100  187.288  263.280   64.647  126.456   45.919  139.316   19.084 -12.85909 49.72693 
1 1 1   23   15   29 o   65.890   20.336   59.678   36.810 -66.2423  188.801   64.654   37.530   78.430   36.997   68.268   20.426 10.16256 42.26060 
1 1 1   23   15   30 o  178.192   17.949  428.713   78.781  530.148  217.833  413.449   84.501  159.306   49.520  173.544   19.856 -14.23775 53.35224 
1 1 1   23   15   31 o   51.651   18.032   33.486   28.611 -37.8588   52.035   64.403   34.254   42.514   19.852   67.718   19.312 -25.20425 27.69549 
1 1 1   23   16    0 o  146.281   15.217  275.383   54.772  278.001   59.167  259.700  144.816  146.623   16.443  133.137   40.189 13.48604 43.42258 
1 1 1   23   16    1 o   79.516   19.072   84.528   37.383   71.842   39.070  222.002  128.617   73.442   20.514  124.450   37.944 -51.00764 43.13411 
1 1 1   23   16    2 o  178.931   14.661  409.459   64.934  428.506   72.077  327.387  149.613  182.678   15.960  149.757   39.455 32.92067 42.56099 
1 1 1   23   16    3 o  165.225   14.464  349.153   59.078  340.535   64.826  391.386  143.508  162.676   16.172  166.115   35.661 -3.439240 39.15703 
1 1 1   23   16    4 o  313.999   14.198  1250.89  111.332  1106.83  128.685  1679.60  221.989  293.619   17.632  357.175   25.047 -63.55569 30.63096 
1 1 1   23   16    5 o  218.595   14.906  609.752   80.881  653.640   92.823  471.346  164.841  225.794   16.578  181.874   37.539 43.92030 41.03705 
1 1 1   23   16    6 o  191.514   16.906  471.601   80.024  477.397   94.410  456.810  150.817  191.601   20.028  180.596   34.703 11.00571 40.06755 
1 1 1   23   16    7 o  312.339   17.469  1250.81  135.703  1085.56  173.431  1511.74  217.925  287.335   24.401  338.266   25.998 -50.93079 35.65536 
1 1 1   23   16    8 o  136.783   11.525  237.669   38.998  276.340   57.450  204.622   53.109  146.492   15.963  125.414   17.429 21.07706 23.63450 
1 1 1   23   16    9 o  139.395   11.520  246.793   39.743  244.639   58.570  248.631   54.105  137.294   17.480  138.876   15.887 -1.581543 23.62060 
1 1 1   23   16   10 o  308.627   12.792  1205.03   98.587  1117.11  139.547  1292.63  139.299  294.244   19.095  317.331   17.648 -23.08661 26.00150 
1 1 1   23   16   11 o  507.445   17.355  3295.04  219.915  3196.42  311.280  3393.32  310.733  492.476   25.398  508.914   24.451 -16.43820 35.25462 
1 1 1   23   16   12 o  267.879   11.861  906.653   79.345  924.139  113.800  890.111  110.687  268.261   17.076  263.322   16.922 4.938660 24.04114 
1 1 1   23   16   13 o  262.674   11.543  871.526   75.717  851.873  108.749  890.018  105.485  257.448   17.011  263.558   16.105 -6.109436 23.42541 
1 1 1   23   16   14 o  139.590   11.766  248.021   40.631  233.465   61.266  259.449   54.286  133.404   18.921  141.802   15.588 -8.397079 24.51488 
1 1 1   23   16   15 o  147.433   12.230  277.036   44.620  274.519   62.441  279.663   63.787  145.213   17.577  146.509   17.800 -1.296219 25.01610 
1 1 1   23   16   16 o  169.091   11.096  362.835   46.595  387.432   69.011  342.228   63.166  173.243   16.138  162.876   15.726 10.36682 22.53264 
1 1 1   23   16   17 o  155.018   13.117  307.475   50.302  237.279   69.449  384.941   72.957  133.192   21.622  172.176   17.199 -38.98375 27.62783 
1 1 1   23   16   18 o  166.625   15.644  358.850   64.330  446.878  137.909  334.369   72.727  177.318   32.336  159.684   18.586 17.63385 37.29722 
1 1 1   23   16   19 o  196.831   16.099  501.393   78.436  537.771  150.759  487.892   91.845  194.407   32.180  192.658   19.352 1.749023 37.55059 
1 1 1   23   16   20 o  206.789   16.989  556.431   86.954  466.748  160.327  593.804  103.497  176.187   37.586  212.184   19.760 -35.99677 42.46402 
1 1 1   23   16   21 o  139.228   15.028  251.919   51.420  312.800  141.622  242.674   55.186  141.886   38.837  136.048   16.587 5.838379 42.23120 
1 1 1   23   16   22 o  189.669   13.209  462.351   62.174  966.849  165.325  379.246   67.100  265.653   25.224  170.569   15.938 95.08409 29.83740 
1 1 1   23   16   23 o  217.435   11.740  604.215   63.509  527.091   95.648  665.030   84.934  199.050   19.493  226.470   15.105 -27.41948 24.66016 
1 1 1   23   16   24 o  223.918   11.603  641.068   64.655  622.658   98.593  654.959   85.640  216.898   18.376  224.372   15.377 -7.474518 23.96103 
1 1 1   23   16   25 o  170.579   12.168  374.061   51.492  305.552   80.687  421.132   66.882  149.081   22.363  179.718   15.041 -30.63664 26.95107 
1 1 1   23   16   26 o   64.323   16.881   56.193   27.456   37.963   50.961   63.648   32.591   60.809   23.547   68.195   18.616 -7.385437 30.01715 
1 1 1   23   16   27 o  225.421   12.271  653.904   68.815  547.942  106.212  730.563   90.340  200.171   21.590  236.327   15.392 -36.15601 26.51481 
1 1 1   23   16   28 o   99.761   13.519  130.784   32.811  144.390   58.677  124.594   39.577  100.350   23.779   95.941   17.148 4.408813 29.31762 
1 1 1   23   16   29 o   92.466   14.246  113.533   31.839  111.840   58.378  114.250   37.985   87.478   25.292   91.576   17.243 -4.097572 30.61087 
1 1 1   23   16   30 o  109.801   15.747  161.609   41.942   64.769  198.449  166.137   42.912   90.550   40.964  111.286   15.893 -20.73592 43.93914 
1 1 1   23   16   31 o   92.453   17.344  117.548   38.571 -35.5900  208.570  122.971   39.248   81.623   38.619   94.661   17.239 -13.03751 42.29215 
1 1 1   23   17    0 o   54.171   19.366   33.093   33.158   30.300   34.254   74.646  132.138   53.354   19.598   91.420   37.094 -38.06564 41.95281 
1 1 1   23   17    1 o  168.200   14.756  363.080   61.354  360.626   67.087  375.627  151.679  167.138   16.280  159.898   38.457 7.240555 41.76141 
1 1 1   23   17    2 o  285.480   15.087  1041.50  107.172  1060.69  124.143  985.335  212.348  287.027   17.402  266.897   32.534 20.13092 36.89561 
1 1 1   23   17    3 o  126.703   15.263  207.354   47.321  183.998   50.398  381.310  137.540  118.605   17.545  163.728   34.717 -45.12247 38.89854 
1 1 1   23   17    4 o  138.383   15.753  247.215   53.468  265.846   58.073  143.514  137.005  143.336   16.527  106.417   39.178 36.91888 42.52098 
1 1 1   23   17    5 o  490.459   18.574  3092.77  227.492  2900.43  272.867  3531.22  411.970  471.177   23.191  508.230   32.633 -37.05374 40.03402 
1 1 1   23   17    6 o  187.035   16.751  450.530   77.409  440.286   90.081  479.449  151.356  183.720   19.956  184.864   34.041 -1.144363 39.45901 
1 1 1   23   17    7 o  173.821   16.836  389.654   72.165  380.804   83.088  416.834  145.602  170.771   19.854  171.491   35.180 -0.7203674 40.39564 
1 1 1   23   17    8 o  145.038   15.597  270.962   55.602  304.694   61.206  111.637  133.018  153.719   16.188   99.483   38.171 54.23576 41.46194 
1 1 1   23   17    9 o  129.190   12.121  212.792   38.647  182.484   55.907  240.529   53.484  117.502   19.754  136.437   16.002 -18.93503 25.42225 
1 1 1   23   17   10 o  158.193   11.059  317.260   43.411  314.967   63.011  319.331   59.893  156.221   16.396  157.603   15.415 -1.382004 22.50506 
1 1 1   23   17   11 o  294.647   12.547  1099.04   92.322  1085.95  131.123  1111.91  130.009  290.192   18.186  293.846   17.801 -3.653717 25.44862 
1 1 1   23   17   12 o  340.491   13.521  1471.41  114.968  1360.41  162.900  1581.56  162.279  323.585   20.262  350.015   18.633 -26.43082 27.52716 
1 1 1   23   17   13 o  126.879   16.662  209.397   51.516   0.0000   0.0000  209.397   51.516  ?   ?   126.879   16.662 0.000000 16.66205 
1 1 1   23   17   14 o  160.462   17.321  334.196   68.307  334.196   68.307   0.0000   0.0000  160.462   17.321  ?   ?  0.000000 17.32139 
1 1 1   23   17   15 o  264.608   11.610  885.960   76.718  913.157  110.181  860.365  106.886  266.308   16.652  258.468   16.649 7.839264 23.54699 
1 1 1   23   17   16 o   63.679   16.049   53.964   25.512   39.983   41.881   62.212   32.169   59.806   21.715   68.232   18.441 -8.426044 28.48865 
1 1 1   23   17   17 o  126.125   17.857  209.108   54.671 -40.4208  123.506  269.918   60.970   71.085   32.223  143.762   17.333 -72.67645 36.58914 
1 1 1   23   17   18 o  124.575   16.348  202.775   49.628  197.541  124.981  203.754   54.074  115.936   37.689  124.337   17.934 -8.400620 41.73826 
1 1 1   23   17   19 o  130.986   14.519  222.177   46.691  454.125  133.813  190.023   49.822  178.732   31.111  120.184   17.081 58.54791 35.49194 
1 1 1   23   17   20 o  184.909   12.074  436.697   55.447  335.901   81.806  522.351   75.412  158.319   21.226  201.063   15.130 -42.74406 26.06702 
1 1 1   23   17   21 o  149.143   11.960  284.890   44.168  288.161   67.023  282.379   58.723  147.453   18.617  146.936   16.277 0.5171051 24.72941 
1 1 1   23   17   22 o   97.143   13.543  123.093   31.959   98.816   52.285  137.573   40.380   84.225   23.804  101.845   16.437 -17.62056 28.92733 
1 1 1   23   17   23 o  151.982   11.642  296.038   43.847  251.153   67.631  328.585   57.591  136.263   20.511  158.999   14.670 -22.73599 25.21760 
1 1 1   23   17   24 o  289.208   11.953  1068.58   86.326  1051.39  127.773  1083.03  117.091  282.168   18.231  287.922   16.353 -5.753693 24.49051 
1 1 1   23   17   25 o  122.144   12.644  193.208   38.009  170.595   61.571  207.131   48.314  110.309   23.093  125.308   15.790 -14.99981 27.97519 
1 1 1   23   17   26 o  120.076   12.534  186.878   37.029  209.093   61.480  174.232   46.386  123.498   20.665  114.286   16.750 9.211845 26.60137 
1 1 1   23   17   27 o  143.885   12.399  267.713   44.115  190.389   71.085  316.147   56.259  114.926   25.441  155.416   14.670 -40.48984 29.36734 
1 1 1   23   17   28 o   76.395   15.325   78.659   28.219   85.084   52.852   76.097   33.374   77.570   24.438   74.285   18.147 3.285156 30.43849 
1 1 1   23   17   29 o  164.794   11.921  350.943   48.725  281.367   79.633  392.580   61.603  140.860   23.464  173.041   14.387 -32.18094 27.52366 
1 1 1   23   17   30 o  134.316   12.426  234.936   41.207  181.453   69.492  263.940   51.175  110.777   25.630  141.296   14.720 -30.51803 29.55605 
1 1 1   23   17   31 o  111.112   13.197  162.685   35.900  117.138   62.975  184.613   43.696   88.083   26.483  117.468   15.256 -29.38508 30.56291 
1 1 1   23   18    0 o   72.699   29.124   44.740   80.336   68.699   97.660  -5.4069  141.287   82.483   32.410   80.452   35.602 2.031105 48.14460 
1 1 1   23   18    1 o  111.050   16.976  161.911   45.581  157.781   48.123  197.939  142.122  109.182   18.298  117.144   40.229 -7.962212 44.19519 
1 1 1   23   18    2 o  210.847   14.756  569.935   77.205  612.206   86.697  407.975  169.701  218.057   16.034  164.102   41.411 53.95541 44.40659 
1 1 1   23   18    3 o   60.961   19.879   46.946   34.760   42.012   35.929  119.124  137.419   58.976   20.229  100.639   38.752 -41.66338 43.71412 
1 1 1   23   18    4 o  113.812   16.211  168.869   44.772  155.916   47.345  278.375  137.662  108.734   18.071  137.320   38.560 -28.58675 42.58427 
1 1 1   23   18    5 o  161.415   14.655  334.478   58.428  344.833   63.873  281.399  144.613  163.544   15.838  137.755   39.802 25.78972 42.83710 
1 1 1   23   18    6 o  396.612   15.230  2006.65  150.838  1818.72  177.491  2495.27  286.194  374.933   19.019  432.265   26.643 -57.33212 32.73501 
1 1 1   23   18    7 o  337.292   17.591  1464.87  147.655  1173.69  186.786  1949.94  241.083  296.916   25.438  383.245   25.334 -86.32947 35.90071 
1 1 1   23   18    8 o  109.929   17.181  158.373   45.620  142.863   48.615  272.728  132.007  103.618   19.504  136.668   37.532 -33.04925 42.29694 
1 1 1   23   18    9 o  396.157   15.603  2003.87  154.359  1840.15  182.741  2411.59  288.380  376.858   19.485  424.269   27.365 -47.41156 33.59320 
1 1 1   23   18   10 o  218.109   14.183  607.569   76.831  615.358   87.325  580.878  161.655  218.812   16.094  203.805   32.882 15.00664 36.60974 
1 1 1   23   18   11 o   61.181   20.251   46.736   36.024   49.444   37.864   20.883  116.973   62.809   20.760   78.729   33.622 -15.91991 39.51502 
1 1 1   23   18   12 o  288.008   12.550  1051.49   90.261  934.514  128.044  1167.03  127.256  268.193   19.247  301.103   16.994 -32.90979 25.67554 
1 1 1   23   18   13 o  140.465   11.828  251.460   41.104  250.295   60.314  252.471   56.166  138.376   17.872  139.456   16.444 -1.079788 24.28651 
1 1 1   23   18   14 o   71.336   14.673   67.197   25.266   58.654   40.965   72.442   32.099   67.363   21.546   73.583   17.687 -6.219910 27.87619 
1 1 1   23   18   15 o  193.426   11.324  475.034   54.460  540.328   79.439  417.136   74.806  204.837   15.649  179.367   16.900 25.47015 23.03239 
1 1 1   23   18   16 o  195.650   15.621  493.634   75.683  589.978  147.561  459.244   88.162  206.253   29.489  187.195   19.129 19.05844 35.14977 
1 1 1   23   18   17 o  177.346   16.098  407.401   70.516  388.888  141.053  413.570   81.421  162.579   35.719  177.628   18.633 -15.04845 40.28694 
1 1 1   23   18   18 o  150.376   14.483  291.948   53.712  434.870  133.323  264.257   58.685  174.433   31.778  142.168   16.858 32.26476 35.97305 
1 1 1   23   18   19 o   97.873   13.396  124.436   31.881   69.513   50.309  161.294   41.213   72.779   23.924  111.079   15.261 -38.30007 28.37704 
1 1 1   23   18   20 o  280.100   11.852  998.161   82.898  996.149  119.773  1000.01  114.853  276.357   17.445  277.415   16.656 -1.058258 24.11975 
1 1 1   23   18   21 o  115.589   12.711  172.562   36.084  129.939   55.879  203.049   47.259   96.527   23.420  124.538   15.534 -28.01141 28.10357 
1 1 1   23   18   22 o  152.203   11.341  296.374   42.795  329.653   66.160  272.433   56.115  158.288   17.004  144.248   15.839 14.04024 23.23837 
1 1 1   23   18   23 o  100.533   13.281  131.758   32.526  100.006   52.258  151.837   41.556   84.423   23.776  107.082   16.034 -22.65855 28.67708 
1 1 1   23   18   24 f  231.984   11.245  686.093   65.141  675.093   97.067  695.106   87.864  226.391   17.301  231.031   15.317 -4.639603 23.10645 
1 1 1   23   18   25 o  130.286   12.318  219.297   39.602  162.779   62.920  256.375   50.964  107.119   24.104  139.961   14.806 -32.84208 28.28862 
1 1 1   23   18   26 o  123.926   12.404  198.888   37.870  166.185   61.694  218.660   47.970  108.373   23.476  128.887   15.196 -20.51407 27.96504 
1 1 1   23   18   27 o   75.022   15.516   75.906   28.110   76.041   51.925   75.851   33.432   74.199   24.301   74.245   18.178 -0.4649353E-01 30.34781 
1 1 1   23   18   28 o   76.477   14.963   78.638   27.552   84.678   52.435   76.334   32.383   77.335   24.338   74.496   17.674 2.838730 30.07800 
1 1 1   23   18   29 o  148.912   11.718  286.637   43.221  263.596   71.553  299.873   54.234  137.434   21.558  150.965   14.567 -13.53082 26.01822 
1 1 1   23   18   30 o  158.981   11.861  327.428   46.751  326.439   78.120  327.980   58.354  153.131   20.981  157.425   15.026 -4.293823 25.80656 
1 1 1   23   18   31 o   51.856   16.574   35.665   24.244   12.715   49.804   42.792   27.755   52.024   22.070   56.273   17.706 -4.248779 28.29450 
1 1 1   23   19    0 o   70.604   30.240   15.997   95.125   15.997   95.125   0.0000   0.0000   70.604   30.240  ?   ?  0.000000 30.24033 
1 1 1   23   19    1 o  163.734   14.232  345.113   57.612  317.790   61.771  527.767  159.714  156.436   16.039  190.512   34.856 -34.07532 38.36917 
1 1 1   23   19    2 o   96.029   18.492  123.219   42.736  121.724   44.796  138.371  142.569   95.126   19.512  103.922   39.602 -8.796844 44.14842 
1 1 1   23   19    3 o   97.531   17.667  126.255   41.444  110.794   43.392  287.009  139.917   90.660   19.727  137.963   38.921 -47.30242 43.63529 
1 1 1   23   19    4 o  199.689   15.321  513.166   75.815  543.406   84.800  392.711  169.244  204.950   16.715  159.963   41.877 44.98700 45.08969 
1 1 1   23   19    5 o  283.619   13.156  1022.62   93.176  951.680  105.775  1268.33  196.859  272.197   15.627  307.217   25.902 -35.01984 30.25060 
1 1 1   23   19    6 o  250.970   13.580  803.616   84.791  732.188   95.399  1072.30  185.025  238.480   16.114  281.958   26.592 -43.47723 31.09333 
1 1 1   23   19    7 o  211.253   16.782  576.520   87.803  550.956  103.510  642.104  165.794  204.814   20.514  214.259   31.965 -9.444656 37.98143 
1 1 1   23   19    8 o  185.422   16.280  443.928   74.618  386.960   84.921  636.881  156.289  171.484   20.220  214.779   29.955 -43.29504 36.14068 
1 1 1   23   19    9 o  240.889   13.681  740.542   81.960  693.335   92.487  913.229  176.890  232.114   16.055  259.364   27.742 -27.25006 32.05228 
1 1 1   23   19   10 o  208.552   14.631  557.467   75.716  558.080   85.655  555.276  161.943  207.886   16.639  197.631   34.042 10.25563 37.89128 
1 1 1   23   19   11 o  130.770   15.967  222.098   51.060  206.602   55.079  316.794  136.158  125.371   18.119  146.526   37.158 -21.15500 41.33966 
1 1 1   23   19   12 o  244.414   20.649  783.945  124.850  772.021  173.032  796.894  180.324  236.431   29.981  239.589   30.857 -3.158585 43.02290 
1 1 1   23   19   13 o  206.430   16.307  550.302   83.376  550.302   83.376   0.0000   0.0000  206.430   16.307  ?   ?  0.000000 16.30688 
1 1 1   23   19   14 o  178.064   10.646  402.195   47.123  491.531   69.100  324.526   64.430  195.760   14.233  158.065   16.569 37.69423 21.84287 
1 1 1   23   19   15 o  175.113   11.546  390.268   50.206  399.185   72.940  382.240   69.210  175.266   16.874  171.681   16.340 3.584015 23.48917 
1 1 1   23   19   16 o  164.473   15.783  350.530   64.027  371.763  135.911  344.474   72.586  159.030   35.158  162.054   18.255 -3.023499 39.61463 
1 1 1   23   19   17 o  122.659   16.892  197.626   50.368   70.606  122.900  223.266   55.218   87.427   35.660  130.307   17.404 -42.88012 39.68030 
1 1 1   23   19   18 o  313.710   12.834  1254.75  100.537  1264.39  144.310  1245.65  140.144  310.859   18.677  308.854   18.252 2.004456 26.11407 
1 1 1   23   19   19 o  214.425   11.490  585.862   61.300  558.905   89.321  609.862   84.280  206.721   17.466  216.943   15.662 -10.22166 23.46026 
1 1 1   23   19   20 o  330.598   12.594  1395.33  103.975  1499.06  149.585  1298.35  144.627  338.615   17.752  314.465   18.499 24.14969 25.63855 
1 1 1   23   19   21 o   79.905   14.490   84.518   27.848   80.575   46.643   86.702   34.715   76.574   22.740   80.010   17.830 -3.436813 28.89658 
1 1 1   23   19   22 o  253.066   11.502  816.192   72.690  850.393  106.707  786.580   99.292  254.880   16.860  245.471   16.291 9.409332 23.44469 
1 1 1   23   19   23 o   78.311   14.059   81.222   26.482  101.569   46.677   71.563   32.159   85.335   21.819   72.457   17.882 12.87830 28.21070 
1 1 1   23   19   24 o  201.235   11.408  518.443   57.091  576.226   86.543  473.920   75.967  209.311   16.696  190.020   16.163 19.29070 23.23779 
1 1 1   23   19   25 o  228.305   11.662  668.193   66.265  668.114   99.122  668.256   89.101  224.456   17.831  225.824   15.902 -1.368301 23.89189 
1 1 1   23   19   26 o  192.342   11.482  474.790   54.899  458.495   84.415  486.734   72.270  185.077   18.513  192.863   15.127 -7.786621 23.90753 
1 1 1   23   19   27 o   86.255   13.921   98.538   28.965   90.965   52.031  101.939   34.867   79.976   24.078   86.765   16.698 -6.788689 29.30149 
1 1 1   23   19   28 o   60.152   15.962   49.225   24.375   84.732   49.482   37.849   28.009   77.239   23.532   54.048   17.855 23.19130 29.53875 
1 1 1   23   19   29 o  120.580   12.900  190.039   38.242  137.604   64.484  218.486   47.496   96.221   26.152  128.363   15.106 -32.14171 30.20150 
1 1 1   23   19   30 o  114.284   12.874  171.271   36.101  161.504   63.137  176.015   44.004  104.835   24.549  114.542   15.805 -9.706627 29.19720 
1 1 1   23   19   31 o  197.622   12.017  507.036   59.021  430.425   95.675  554.101   74.990  173.954   22.556  204.656   14.773 -30.70184 26.96297 
1 1 1   23   20    0 o  196.727   14.355  499.528   70.032  467.436   75.584  694.232  186.172  189.462   16.129  215.835   35.796 -26.37297 39.26185 
1 1 1   23   20    1 o  204.864   28.971  589.987  144.078  589.987  144.078   0.0000   0.0000  204.864   28.971  ?   ?  0.000000 28.97121 
1 1 1   23   20    2 f   89.794   17.963  108.163   38.872   93.372   40.378  295.522  143.704   82.855   19.787  137.866   39.631 -55.01072 44.29618 
1 1 1   23   20    3 o   49.715   18.660   24.995   31.369   15.627   32.203  198.867  138.734   46.323   18.480  115.609   39.745 -69.28646 43.83080 
1 1 1   23   20    4 o   50.163   18.840   25.371   31.986   19.084   32.896  134.339  136.950   48.016   18.828  101.999   38.827 -53.98333 43.15137 
1 1 1   23   20    5 o  146.482   14.846  277.403   53.554  253.180   57.198  449.576  152.491  139.212   16.792  174.629   36.159 -35.41757 39.86793 
1 1 1   23   20    6 o  224.614   14.143  646.784   78.923  657.748   88.256  603.013  176.339  225.817   15.749  203.265   36.061 22.55203 39.35014 
1 1 1   23   20    7 o   98.894   17.797  129.942   42.334  119.667   44.452  230.117  138.796   94.304   19.519  123.817   39.666 -29.51368 44.20854 
1 1 1   23   20    8 o  138.736   17.599  252.187   59.600  263.747   65.713  198.587  141.505  141.350   19.106  116.615   40.137 24.73597 44.45221 
1 1 1   23   20    9 o  112.611   17.218  166.932   46.881  164.635   49.786  184.905  139.281  111.380   18.553  113.522   39.777 -2.142082 43.89106 
1 1 1   23   20   10 o  197.197   14.063  498.654   68.797  463.441   76.202  653.874  159.988  189.223   16.285  216.411   30.446 -27.18759 34.52813 
1 1 1   23   20   11 o   70.433   32.030 -43.8292  123.263   0.0000   0.0000 -43.8292  123.263  ?   ?    70.433   32.030 0.000000 32.02967 
1 1 1   23   20   12 o  187.890   16.561  457.786   76.907  457.786   76.907   0.0000   0.0000  187.890   16.561  ?   ?  0.000000 16.56058 
1 1 1   23   20   13 o  259.514   14.248  863.191   91.982  806.190  105.697  1041.07  186.719  249.373   17.076  275.871   27.469 -26.49773 32.34412 
1 1 1   23   20   14 o  150.841   15.749  295.348   58.447  309.258   64.633  232.933  136.910  153.871   17.110  124.021   39.360 29.85035 42.91849 
1 1 1   23   20   15 o   93.810   19.538  118.819   44.284  146.616   47.445 -69.1634  123.381  104.703   18.839   67.114   31.075 37.58918 36.33948 
1 1 1   23   20   16 o  179.867   33.592  470.684  145.336  470.684  145.336   0.0000   0.0000  179.867   33.592  ?   ?  0.000000 33.59245 
1 1 1   23   20   17 o  159.839   15.732  332.199   61.980  361.814  134.394  324.198   69.852  155.556   35.394  156.862   18.169 -1.305954 39.78508 
1 1 1   23   20   18 f  316.278   13.469  1280.05  106.382  1207.28  151.790  1350.30  149.140  302.021   20.243  320.790   18.699 -18.76920 27.55757 
1 1 1   23   20   19 o  136.581   12.198  239.636   41.164  182.643   60.959  287.409   55.811  115.449   21.947  148.559   15.261 -33.11027 26.73115 
1 1 1   23   20   20 o  232.255   11.524  686.920   66.838  702.763   97.482  672.866   91.819  231.762   16.961  227.154   16.295 4.608124 23.52059 
1 1 1   23   20   21 o  119.863   11.950  185.081   35.293  181.192   55.052  187.794   45.986  115.639   19.775  119.412   15.810 -3.772987 25.31808 
1 1 1   23   20   22 o  314.792   12.701  1269.95   99.839  1334.73  144.359  1210.55  138.228  317.954   18.258  302.655   18.376 15.29877 25.90450 
1 1 1   23   20   23 o  166.342   11.393  354.667   47.040  351.173   71.284  357.362   62.608  162.528   17.858  165.266   15.345 -2.737991 23.54558 
1 1 1   23   20   24 o  194.427   11.640  484.928   56.255  517.322   84.355  458.982   75.494  197.761   17.254  186.737   16.354 11.02435 23.77318 
1 1 1   23   20   25 o  235.678   12.601  715.610   73.892  663.821  108.976  759.685  100.532  221.963   19.871  239.952   16.885 -17.98912 26.07617 
1 1 1   23   20   26 o   98.145   13.217  126.268   31.569  132.745   54.691  123.032   38.660   96.621   22.999   95.518   16.822 1.102859 28.49429 
1 1 1   23   20   27 o  120.974   12.545  190.301   37.346  221.506   62.020  172.548   46.778  126.885   20.255  113.257   17.070 13.62772 26.48832 
1 1 1   23   20   28 o   41.962   15.416   19.216   21.196   29.108   46.490   16.620   23.815   56.008   22.248   41.914   16.134 14.09390 27.48260 
1 1 1   23   20   29 o  164.930   12.238  352.792   50.044  297.011   79.819  388.921   64.237  144.832   22.825  171.552   15.150 -26.72023 27.39570 
1 1 1   23   20   30 o   89.600   14.292  107.337   30.903   61.666   56.844  126.498   36.819   68.619   25.239   96.775   15.779 -28.15573 29.76600 
1 1 1   23   20   31 o  102.040   13.277  137.836   33.031  109.320   59.632  150.458   39.674   85.177   25.806  105.646   15.499 -20.46824 30.10324 
1 1 1   23   21    0 o  247.372   14.364  791.598   88.349  800.189   99.116  758.378  194.907  247.609   16.118  222.979   36.249 24.62975 39.67042 
1 1 1   23   21    1 o   82.116   20.262   92.749   41.294   92.749   41.294   0.0000   0.0000   82.116   20.262  ?   ?  0.000000 20.26204 
1 1 1   23   21    2 o  266.517   22.053  954.772  145.453  1191.67  190.486  623.483  225.263  293.708   26.248  191.338   47.392 102.3701 54.17518 
1 1 1   23   21    3 o  291.491   14.414  1091.85  104.924  1020.14  118.845  1345.29  223.419  279.694   17.098  309.266   29.278 -29.57141 33.90454 
1 1 1   23   21    4 o  147.879   15.384  284.532   55.978  280.556   59.912  311.860  157.071  146.316   16.696  139.422   41.803 6.893768 45.01401 
1 1 1   23   21    5 o  126.589   16.138  209.916   49.855  218.014   52.871  144.964  149.733  128.781   16.844  104.404   40.381 24.37710 43.75332 
1 1 1   23   21    6 o  123.524   16.114  199.844   48.520  188.874   51.293  293.156  149.596  119.454   17.734  136.573   40.762 -17.11898 44.45223 
1 1 1   23   21    7 o  132.094   15.459  227.217   50.030  225.962   53.176  236.900  147.649  131.325   16.585  123.861   40.999 7.463371 44.22593 
1 1 1   23   21    8 o   72.346   20.663   70.730   39.184   74.949   40.995   26.112  133.309   74.350   21.100   82.113   35.490 -7.762619 41.28888 
1 1 1   23   21    9 o  169.817   16.948  376.218   70.909  359.667   79.474  440.834  157.032  164.784   19.704  170.935   37.792 -6.151535 42.62039 
1 1 1   23   21   10 o  183.802   17.850  442.121   80.898  475.881   92.703  334.306  165.665  189.744   19.859  144.931   42.810 44.81274 47.19212 
1 1 1   23   21   11 o  165.663   15.210  355.249   62.218  367.071   67.905  293.415  155.302  167.943   16.401  136.565   41.707 31.37825 44.81616 
1 1 1   23   21   12 o  194.465   14.066  486.271   67.846  473.297   74.920  545.405  159.950  191.101   15.842  193.339   34.390 -2.238007 37.86326 
1 1 1   23   21   13 o  174.442   14.858  393.234   64.108  391.873   70.773  399.455  151.320  173.446   16.541  161.969   38.057 11.47684 41.49628 
1 1 1   23   21   14 o   73.921   20.020   74.215   37.869   70.589   39.719  110.435  125.532   72.230   20.856   95.095   36.920 -22.86527 42.40343 
1 1 1   23   21   15 o  129.775   15.438  219.695   49.049  206.416   52.586  308.542  136.025  125.065   17.301  141.603   37.771 -16.53782 41.54526 
1 1 1   23   21   16 o  179.036   33.673  471.301  145.022  471.301  145.022   0.0000   0.0000  179.036   33.673  ?   ?  0.000000 33.67315 
1 1 1   23   21   17 o  148.817   35.988  337.452  132.275  337.452  132.275   0.0000   0.0000  148.817   35.988  ?   ?  0.000000 35.98846 
1 1 1   23   21   18 o  238.799   14.838  737.635   88.042  748.575  102.101  705.912  173.864  239.151   17.212  219.849   32.662 19.30203 36.91925 
1 1 1   23   21   19 o  108.259   18.273  157.339   47.642  144.362   51.615  232.036  123.835  102.583   20.859  121.745   37.254 -19.16190 42.69599 
1 1 1   23   21   20 o  151.135   11.789  293.146   44.140  291.190   65.796  294.746   59.522  147.938   18.194  149.800   16.168 -1.862549 24.33954 
1 1 1   23   21   21 o   94.983   12.801  117.589   29.588  115.061   48.089  119.129   37.534   90.922   21.515   94.366   16.530 -3.443710 27.13229 
1 1 1   23   21   22 o  263.251   12.240  887.579   80.464  921.354  116.804  857.074  111.005  264.029   17.820  254.827   17.551 9.202286 25.01165 
1 1 1   23   21   23 o  172.611   12.258  383.731   52.495  342.630   77.946  417.848   71.015  159.063   20.070  178.220   16.132 -19.15732 25.74962 
1 1 1   23   21   24 o  230.732   12.350  685.182   70.901  594.633  103.825  764.306   97.054  209.840   20.058  241.173   16.209 -31.33299 25.78884 
1 1 1   23   21   25 o  221.379   11.848  629.940   65.259  620.443   96.895  637.823   88.286  215.611   18.165  220.083   16.177 -4.471985 24.32459 
1 1 1   23   21   26 o   94.998   13.279  118.606   30.640  151.122   52.748  102.049   37.641  104.045   21.025   86.264   18.053 17.78056 27.71235 
1 1 1   23   21   27 o  102.463   12.817  137.419   32.078  183.720   55.547  114.252   39.292  115.328   20.013   91.353   17.864 23.97440 26.82630 
1 1 1   23   21   28 o  107.722   13.243  152.411   34.874  132.615   58.963  163.061   43.249   95.181   24.621  110.190   16.201 -15.00872 29.47355 
1 1 1   23   21   29 o  143.335   17.390  277.588   60.969  293.563   71.859  236.539  115.193  145.520   20.330  118.148   35.884 27.37198 41.24253 
1 1 1   23   21   30 o  128.834   19.428  230.078   60.562  227.024   73.579  236.494  106.640  124.453   24.548  118.826   34.134 5.627579 42.04449 
1 1 1   23   21   31 o   63.498   27.598   20.164   81.515   0.0000   0.0000   20.164   81.515  ?   ?    63.498   27.598 0.000000 27.59792 
1 1 1   23   22    0 o  114.427   15.883  173.796   44.160  162.825   46.008  302.189  157.387  110.102   17.304  131.803   42.241 -21.70113 45.64772 
1 1 1   23   22    1 o  184.199   14.299  441.090   65.257  450.004   70.393  386.608  174.033  185.518   15.332  148.850   43.853 36.66844 46.45569 
1 1 1   23   22    2 o  238.980   28.588  816.786  167.221  816.786  167.221   0.0000   0.0000  238.980   28.588  ?   ?  0.000000 28.58811 
1 1 1   23   22    3 o  162.320   15.136  343.646   60.645  363.023   65.433  225.595  161.504  166.492   15.933  117.793   42.662 48.69924 45.53964 
1 1 1   23   22    4 o  343.395   15.997  1530.63  137.180  1531.96  158.997  1526.74  271.338  340.692   18.761  320.665   34.424 20.02679 39.20407 
1 1 1   23   22    5 o  133.020   15.593  231.721   50.813  225.050   53.668  289.455  157.889  130.565   16.854  132.639   42.287 -2.073746 45.52161 
1 1 1   23   22    6 o  120.457   15.932  190.740   46.747  176.259   49.077  332.504  153.554  115.083   17.639  143.550   40.871 -28.46742 44.51516 
1 1 1   23   22    7 o   76.793   19.326   80.451   37.033   75.727   38.340  146.215  143.054   74.456   20.136  103.138   39.582 -28.68178 44.40957 
1 1 1   23   22    8 o   47.425   18.219   20.999   30.327   17.374   31.087   92.422  137.995   46.312   18.257   92.801   37.811 -46.48858 41.98844 
1 1 1   23   22    9 o  136.391   17.344  245.351   57.735  227.187   62.690  346.816  148.167  130.083   19.934  148.563   39.323 -18.47984 44.08723 
1 1 1   23   22   10 o  188.464   15.122  460.216   70.568  482.537   78.092  360.835  164.780  192.396   16.411  149.278   42.282 43.11815 45.35509 
1 1 1   23   22   11 o   77.184   20.111   81.407   39.153   81.407   39.153   0.0000   0.0000   77.184   20.111  ?   ?  0.000000 20.11106 
1 1 1   23   22   12 o  110.904   16.757  162.703   44.962  155.980   47.343  224.533  143.567  108.018   18.198  119.945   40.441 -11.92667 44.34677 
1 1 1   23   22   13 o  129.975   15.973  221.409   50.753  220.279   54.381  229.036  141.319  129.124   17.300  120.909   40.114 8.215462 43.68582 
1 1 1   23   22   14 o  134.090   15.265  234.661   50.202  225.349   53.604  301.123  143.203  130.782   16.802  137.758   39.551 -6.976303 42.97160 
1 1 1   23   22   15 o   98.984   18.244  131.775   43.434  151.540   45.981 -31.9307  132.330  106.431   17.938   73.061   33.210 33.37028 37.74495 
1 1 1   23   22   16 o  137.507   35.853  291.343  124.380  291.343  124.380   0.0000   0.0000  137.507   35.853  ?   ?  0.000000 35.85280 
1 1 1   23   22   17 o   75.204   32.685   19.272  114.326   19.272  114.326   0.0000   0.0000   75.204   32.685  ?   ?  0.000000 32.68471 
1 1 1   23   22   18 o  155.779   15.224  316.790   58.466  331.690   64.541  248.628  138.043  158.836   16.513  124.095   39.537 34.74059 42.84736 
1 1 1   23   22   19 o  154.083   16.079  311.895   60.955  351.536   67.993  149.597  137.577  163.246   16.925  101.779   38.875 61.46649 42.39953 
1 1 1   23   22   20 o  278.382   14.714  1005.65  101.923  1023.65  119.138  956.522  196.839  278.968   17.186  255.066   31.578 23.90147 35.95197 
1 1 1   23   22   21 o  127.803   17.066  217.485   53.104  242.341   58.219   94.384  129.564  134.685   17.742   89.767   36.614 44.91792 40.68592 
1 1 1   23   22   22 o  114.407   17.709  175.995   48.960  164.308   53.037  243.352  127.323  109.360   20.164  121.988   37.849 -12.62879 42.88528 
1 1 1   23   22   23 o   82.677   13.861   90.531   27.604  100.469   46.317   85.057   34.376   84.465   21.808   78.795   17.880 5.669823 28.20135 
1 1 1   23   22   24 o  117.827   12.550  180.412   36.359  139.625   56.778  208.765   47.339   98.948   23.354  125.660   15.409 -26.71194 27.97926 
1 1 1   23   22   25 o   88.670   13.418  103.694   28.782  104.808   49.384  103.121   35.419   85.756   22.704   87.164   16.882 -1.407784 28.29250 
1 1 1   23   22   26 o  145.589   11.757  273.825   42.381  267.010   66.582  278.466   54.951  139.751   19.619  145.131   15.398 -5.379684 24.93991 
1 1 1   23   22   27 o   92.477   21.858  121.805   49.679  117.945   55.226  138.176  113.732   90.043   24.089   94.735   35.535 -4.691711 42.93098 
1 1 1   23   22   28 o   80.262   23.524   93.235   50.195   90.694   56.443  102.842  109.758   79.097   25.290   86.219   34.205 -7.122719 42.53901 
1 1 1   23   22   29 o   72.698   23.587   75.223   48.962   90.144   55.466   22.555  104.204   78.579   25.065   70.080   30.812 8.499420 39.71960 
1 1 1   23   22   30 f  193.764   16.969  506.323   81.281  429.975  101.837  640.322  134.914  171.980   24.396  207.563   26.644 -35.58307 36.12603 
1 1 1   23   22   31 o   79.068   31.429   86.809   92.838   0.0000   0.0000   86.809   92.838  ?   ?    79.068   31.429 0.000000 31.42947 
1 1 1   23   23    0 o  233.236   13.599  707.777   78.863  661.569   85.715  962.626  201.298  224.199   15.403  249.620   33.110 -25.42137 36.51769 
1 1 1   23   23    1 o  138.735   15.911  255.258   54.128  276.364   57.473   89.629  161.001  144.245   16.238   91.312   39.232 52.93314 42.45964 
1 1 1   23   23    2 o  107.839   16.718  155.935   43.564  166.823   45.437   32.005  153.293  111.559   16.834   83.173   36.932 28.38609 40.58711 
1 1 1   23   23    3 o   87.162   32.536  104.109   95.116  104.109   95.116   0.0000   0.0000   87.162   32.536  ?   ?  0.000000 32.53607 
1 1 1   23   23    4 o  222.486   14.728  644.259   81.366  650.461   90.120  616.905  189.260  222.533   16.331  194.470   40.297 28.06302 43.48013 
1 1 1   23   23    5 o  185.895   14.337  449.013   66.041  434.543   71.263  537.023  175.755  182.087   15.830  182.264   39.736 -0.1764221 42.77284 
1 1 1   23   23    6 o   77.298   19.784   82.365   38.349   84.323   39.655   54.091  150.678   78.124   20.183   87.204   37.711 -9.079544 42.77242 
1 1 1   23   23    7 o  306.867   15.809  1226.42  120.737  1265.34  138.995  1106.76  243.693  309.792   18.045  267.836   37.461 41.95609 41.58034 
1 1 1   23   23    8 f  197.010   13.798  501.560   67.453  473.749   73.162  659.197  174.183  190.603   15.505  209.416   34.510 -18.81317 37.83331 
1 1 1   23   23    9 o   64.373   30.876 -143.9347  143.001   0.0000   0.0000 -143.9347  143.001  ?   ?    64.373   30.876 0.000000 30.87551 
1 1 1   23   23   10 o   66.198   20.828   58.536   38.406   58.536   38.406   0.0000   0.0000   66.198   20.828  ?   ?  0.000000 20.82821 
1 1 1   23   23   11 o   68.553   19.782   63.878   35.743   69.900   36.955 -23.4622  140.732   71.501   19.944   75.724   34.354 -4.222618 39.72321 
1 1 1   23   23   12 o  145.726   15.343  277.562   54.995  278.487   58.696  270.910  157.376  145.497   16.443  127.878   42.327 17.61929 45.40923 
1 1 1   23   23   13 o   45.759   18.093   16.866   30.616   20.015   31.444 -40.5351  134.251   47.408   18.458   72.082   33.025 -24.67388 37.83313 
1 1 1   23   23   14 o  105.457   18.009  149.439   45.722  162.446   48.299   37.198  141.880  109.960   18.228   83.673   36.388 26.28654 40.69855 
1 1 1   23   23   15 f  146.382   15.556  280.725   55.994  288.324   60.327  233.445  150.473  147.891   16.623  119.591   41.376 28.30000 44.59024 
1 1 1   23   23   16 o  155.459   16.919  319.105   64.619  319.105   64.619   0.0000   0.0000  155.459   16.919  ?   ?  0.000000 16.91851 
1 1 1   23   23   17 o   63.861   29.320 -41.8451  106.585 -41.8451  106.585   0.0000   0.0000   63.861   29.320  ?   ?  0.000000 29.32022 
1 1 1   23   23   18 o  225.397   14.761  660.631   82.623  712.667   94.260  488.063  171.656  233.140   16.293  172.438   40.545 60.70139 43.69644 
1 1 1   23   23   19 o   58.290   20.073   42.761   35.393   40.484   36.890   69.125  125.529   57.664   20.447   84.652   35.423 -26.98823 40.90079 
1 1 1   23   23   20 o  217.203   14.188  612.895   76.532  604.902   86.420  641.950  164.767  214.486   16.256  205.960   33.162 8.525726 36.93166 
1 1 1   23   23   21 o  104.806   19.018  150.025   47.941  174.132   51.781   5.3236  126.864  113.101   19.008   74.759   33.370 38.34231 38.40414 
1 1 1   23   23   22 o   54.266   20.431   31.998   37.664   33.343   39.572   19.051  122.767   55.410   20.924   75.541   33.320 -20.13070 39.34512 
1 1 1   23   23   23 o   81.390   21.074   93.155   43.171   95.723   45.991   74.123  125.214   82.249   21.974   84.392   35.352 -2.143013 41.62463 
1 1 1   23   23   24 o  183.235   15.456  442.083   70.061  442.149   79.215  441.845  150.139  181.835   17.668  164.292   37.431 17.54291 41.39112 
1 1 1   23   23   25 o  155.839   16.394  323.108   62.842  376.160   71.229  136.796  133.483  167.717   17.253   95.854   37.818 71.86360 41.56733 
1 1 1   23   23   26 f  114.582   19.578  181.240   54.008  194.844   59.474  117.272  128.971  118.131   20.927   91.339   36.792 26.79160 42.32698 
1 1 1   23   23   27 o  167.589   18.423  381.070   75.827  402.715   89.532  326.153  142.611  169.907   21.589  135.643   39.622 34.26408 45.12181 
1 1 1   23   23   28 o   88.304   23.383  113.933   52.376  114.373   58.214  112.062  120.000   87.731   25.225   88.376   35.527 -0.6445389 43.57196 
1 1 1   23   23   29 o   76.368   14.877   79.118   27.351   61.238   52.868   85.652   31.960   67.627   24.421   78.795   16.758 -11.16840 29.61824 
1 1 1   23   23   30 o  146.416   15.581  287.580   56.095   0.0000   0.0000  287.580   56.095  ?   ?   146.416   15.581 0.000000 15.58144 
1 1 1   23   24    0 f  214.658   14.730  607.684   78.481  628.797   85.795  499.450  194.256  217.416   15.913  158.220   46.250 59.19672 48.91132 
1 1 1   23   24    1 o   94.717   17.715  123.159   40.361  125.748   41.738   85.843  158.470   95.524   18.161   88.510   38.474 7.014145 42.54519 
1 1 1   23   24    2 o   45.217   17.623   18.883   28.687   14.182   29.188  152.329  155.507   43.555   17.517   98.918   40.203 -55.36252 43.85327 
1 1 1   23   24    3 o  127.828   15.724  217.297   49.134  212.102   51.436  271.464  166.091  125.743   16.801  121.253   43.344 4.490005 46.48586 
1 1 1   23   24    4 o   68.902   29.484   27.765   90.274   27.765   90.274   0.0000   0.0000   68.902   29.484  ?   ?  0.000000 29.48388 
1 1 1   23   24    5 o   81.079   19.307   91.234   38.531  100.621   39.883 -40.2605  149.272   85.250   19.196   73.932   34.214 11.31800 39.23120 
1 1 1   23   24    6 o  163.707   15.047  351.568   60.824  352.710   65.192  343.890  169.014  163.363   16.194  138.365   43.713 24.99779 46.61615 
1 1 1   23   24    7 o  159.810   14.443  333.582   57.017  320.049   60.620  437.380  167.890  155.847   15.795  160.242   41.593 -4.395065 44.49112 
1 1 1   23   24    8 o  185.721   41.669  577.248  188.500   0.0000   0.0000  577.248  188.500  ?   ?   185.721   41.669 0.000000 41.66928 
1 1 1   23   24    9 o  232.232   15.048  703.212   86.797  738.513   95.955  544.303  203.587  237.147   16.302  174.903   45.998 62.24463 48.80183 
1 1 1   23   24   10 o   78.903   20.231   86.382   40.052   82.729   41.577  133.418  149.208   77.105   21.018   98.683   39.635 -21.57864 44.86309 
1 1 1   23   24   11 o  137.655   17.357  252.333   58.339  237.463   62.888  344.092  156.223  132.369   19.619  142.490   41.426 -10.12112 45.83697 
1 1 1   23   24   12 o  186.516   14.107  451.786   65.221  453.192   70.762  443.851  168.124  186.149   15.360  162.992   41.266 23.15746 44.03173 
1 1 1   23   24   13 o  121.033   16.224  194.224   47.802  179.311   50.150  342.380  158.071  115.474   17.976  141.752   41.802 -26.27827 45.50375 
1 1 1   23   24   14 o   49.865   18.824   25.794   32.021   34.746   32.889 -137.0233  140.264   54.054   19.291   63.578   30.517 -9.524357 36.10278 
1 1 1   23   24   15 o   52.760   19.075   32.318   32.266   42.449   33.188 -142.5190  137.868   57.648   19.444   62.434   30.041 -4.786205 35.78474 
1 1 1   23   24   16 o   89.555   19.233  110.320   41.728  112.645   43.639   85.511  142.554   90.263   19.896   89.703   37.656 0.5595551 42.58892 
1 1 1   23   24   17 o   63.546   29.143 -36.8621  104.903 -36.8621  104.903   0.0000   0.0000   63.546   29.143  ?   ?  0.000000 29.14343 
1 1 1   23   24   18 o   58.601   26.527 -22.4506   83.373 -58.8206  106.987   33.790  133.040   61.380   28.596   79.976   34.998 -18.59675 45.19474 
1 1 1   23   24   19 o   83.017   20.338   96.195   41.831  104.877   44.032   15.807  133.984   86.614   20.649   77.492   34.463 9.121582 40.17542 
1 1 1   23   24   20 o   65.337   20.285   58.130   36.565   60.983   38.161   26.141  127.787   66.783   20.721   77.460   34.088 -10.67627 39.89175 
1 1 1   23   24   21 o   71.990   20.813   72.246   39.531   62.046   41.481  173.156  130.474   67.464   21.692  103.817   38.231 -36.35278 43.95606 
1 1 1   23   24   22 o  168.226   16.137  374.872   66.957  425.218   74.901  174.568  149.400  178.707   16.988  103.957   40.300 74.75004 43.73460 
1 1 1   23   24   23 o   65.300   21.261   57.782   39.768   42.702   41.671  211.651  133.108   59.392   21.646  111.604   38.898 -52.21173 44.51511 
1 1 1   23   24   24 f  149.439   16.837  298.692   61.736  312.916   68.370  235.886  143.671  152.057   18.379  115.679   40.407 36.37835 44.39008 
1 1 1   23   24   25 o  138.186   17.511  257.676   59.071  296.828   65.039   73.243  141.161  148.164   17.944   85.188   36.670 62.97615 40.82537 
1 1 1   23   24   26 o   69.418   22.776   67.018   45.605   82.851   49.164 -30.6090  122.082   76.009   23.509   67.481   31.127 8.528297 39.00736 
1 1 1   23   24   27 o  191.415   18.165  496.936   85.788  509.257  102.326  467.787  157.385  190.475   21.912  163.879   39.019 26.59586 44.75060 
1 1 1   23   24   28 o   69.536   22.732   68.251   45.445   73.487   49.036   36.383  120.975   71.820   23.620   75.121   33.108 -3.300720 40.67024 
1 1 1   23   24   29 o   95.381   23.265  134.184   54.919  116.740   61.614  201.617  121.145   87.531   26.168  106.032   37.100 -18.50098 45.40033 
1 1 1   23   24   30 o   63.744   29.288 -17.1362  106.619   0.0000   0.0000 -17.1362  106.619  ?   ?    63.744   29.288 0.000000 29.28806 
1 1 1   23   25    0 o  292.737   20.587  1197.09  149.537  1230.79  182.685  1128.67  260.323  288.713   25.604  242.809   44.576 45.90405 51.40643 
1 1 1   23   25    1 o  118.208   16.173  188.999   46.488  188.776   48.230  191.911  174.572  117.743   16.887  101.958   42.143 15.78477 45.40007 
1 1 1   23   25    2 o  103.689   17.375  147.326   43.397  152.908   44.949   70.633  166.608  105.513   17.685   86.121   38.357 19.39146 42.23738 
1 1 1   23   25    3 o   62.010   19.368   52.827   33.276   50.383   33.985  109.570  163.760   60.883   19.641   91.470   39.435 -30.58738 44.05571 
1 1 1   23   25    4 o   33.805   15.044  -7.2238   25.572  -4.0168   25.888 -136.3195  164.249   35.028   15.381   67.376   32.513 -32.34785 35.96709 
1 1 1   23   25    5 o  100.853   33.326  163.120   97.572  163.120   97.572   0.0000   0.0000  100.853   33.326  ?   ?  0.000000 33.32589 
1 1 1   23   25    6 o   59.015   19.136   46.473   32.229   47.434   32.985   26.230  151.355   59.589   19.361   80.703   36.205 -21.11374 41.05727 
1 1 1   23   25    7 o   49.520   19.218   23.731   34.004   19.960   34.871   96.811  153.492   48.455   19.262   90.749   38.629 -42.29420 43.16484 
1 1 1   23   25    8 o  165.146   14.715  358.145   60.047  368.480   63.926  280.650  175.043  167.088   15.497  122.667   44.416 44.42059 47.04164 
1 1 1   23   25    9 o  194.132   14.464  492.842   69.617  498.857   75.219  456.914  183.832  194.603   15.610  158.014   44.626 36.58919 47.27718 
1 1 1   23   25   10 o  199.686   14.799  522.087   73.271  535.059   80.055  455.131  181.878  201.349   16.055  158.576   44.249 42.77266 47.07170 
1 1 1   23   25   11 o  195.685   17.785  511.329   85.961  516.867   97.447  491.906  182.504  194.861   20.325  166.745   43.407 28.11676 47.92963 
1 1 1   23   25   12 o   57.450   18.988   43.037   31.675   35.391   32.392  210.068  151.400   54.011   19.159  111.387   41.153 -57.37638 45.39443 
1 1 1   23   25   13 o  130.290   15.370  224.354   49.046  198.816   51.445  479.179  162.507  121.606   17.440  170.023   39.092 -48.41663 42.80588 
1 1 1   23   25   14 o   90.455   18.782  112.607   41.037  102.787   42.510  247.022  157.270   85.819   20.176  118.594   42.200 -32.77518 46.77492 
1 1 1   23   25   15 o  162.380   14.276  344.744   57.300  311.441   61.003  594.305  166.994  153.307   16.179  193.823   35.821 -40.51611 39.30564 
1 1 1   23   25   16 o   75.336   19.657   79.043   37.371   68.545   38.555  242.155  151.972   70.269   20.623  117.713   41.526 -47.44392 46.36507 
1 1 1   23   25   17 o   95.625   35.896  137.666  116.094  137.666  116.094   0.0000   0.0000   95.625   35.896  ?   ?  0.000000 35.89620 
1 1 1   23   25   18 o  179.847   33.782  504.223  146.147  504.223  146.147   0.0000   0.0000  179.847   33.782  ?   ?  0.000000 33.78185 
1 1 1   23   25   19 o  181.040   15.088  430.970   67.591  425.111   74.268  459.225  163.100  178.707   16.841  163.984   40.151 14.72324 43.53983 
1 1 1   23   25   20 o  163.184   15.208  351.131   61.260  340.073   66.535  412.697  156.991  159.563   16.958  154.549   40.272 5.014465 43.69634 
1 1 1   23   25   21 o   87.165   20.367  106.781   43.533  111.270   45.966   67.712  135.606   88.723   21.062   84.046   36.055 4.677673 41.75557 
1 1 1   23   25   22 o   55.774   20.434   36.830   37.205   44.166   38.763 -48.9526  132.550   59.182   20.962   68.413   31.858 -9.231491 38.13577 
1 1 1   23   25   23 o  101.413   19.317  142.572   47.134  146.980   50.069  108.244  139.724  102.519   20.276   90.442   37.568 12.07741 42.69067 
1 1 1   23   25   24 o   71.834   21.539   72.886   41.698   57.816   43.778  220.257  136.906   65.508   22.331  111.634   39.410 -46.12536 45.29718 
1 1 1   23   25   25 o   45.537   19.066   9.9470   36.397  -5.8277   37.854  203.093  132.456   41.795   18.465  107.578   38.680 -65.78355 42.86145 
1 1 1   23   25   26 o   62.004   22.087   49.920   43.094   38.430   45.479  150.923  134.842   58.328   22.334   96.176   37.989 -37.84736 44.06774 
1 1 1   23   25   27 o  161.311   18.059  355.044   71.499  315.736   81.468  486.823  149.165  148.551   22.681  169.684   36.300 -21.13318 42.80326 
1 1 1   23   25   28 o  112.828   20.122  179.704   54.615  177.152   59.716  192.758  135.050  110.528   22.403  102.771   38.689 7.756958 44.70702 
1 1 1   23   25   29 o  151.959   39.838  430.653  153.024   0.0000   0.0000  430.653  153.024  ?   ?   151.959   39.838 0.000000 39.83835 
1 1 1   23   26    0 o  275.381   15.089  1015.02  103.371  1016.12  114.283  1010.10  242.407  273.320   16.826  224.351   44.836 48.96896 47.88902 
1 1 1   23   26    1 o  131.923   18.780  242.900   60.121  255.673   63.851  143.051  178.523  134.836   19.532   92.612   40.534 42.22420 44.99447 
1 1 1   23   26    2 o   84.752   18.105  100.927   37.154  101.136   38.097   96.857  168.033   84.630   18.539   87.243   38.706 -2.612877 42.91693 
1 1 1   23   26    3 o   65.467   19.354   60.462   33.847   61.651   34.566   32.754  166.843   66.045   19.567   80.600   36.887 -14.55565 41.75530 
1 1 1   23   26    4 o  133.077   15.514  237.553   50.589  236.815   52.810  245.775  176.302  132.396   16.318  110.240   43.472 22.15643 46.43392 
1 1 1   23   26    5 o  150.491   15.515  302.544   57.470  302.544   57.470   0.0000   0.0000  150.491   15.515  ?   ?  0.000000 15.51519 
1 1 1   23   26    6 o  193.950   24.811  545.206  117.412  658.222  145.197  331.684  199.577  208.787   28.600  124.081   46.958 84.70657 54.98213 
1 1 1   23   26    7 o   98.962   17.113  133.757   40.760  137.216   42.105   82.177  162.592  100.081   17.484   87.828   38.555 12.25233 42.33436 
1 1 1   23   26    8 o  148.809   14.889  293.188   54.585  283.637   57.286  387.386  179.905  145.710   16.008  139.827   45.198 5.883270 47.94902 
1 1 1   23   26    9 o  133.939   15.263  238.417   50.138  244.381   52.569  178.382  166.788  135.305   15.859  102.713   41.675 32.59276 44.59098 
1 1 1   23   26   10 o  192.349   14.397  485.764   68.650  462.682   73.823  633.351  186.673  186.641   15.994  191.750   40.266 -5.109009 43.32652 
1 1 1   23   26   11 o   95.726   18.157  125.997   41.814  123.853   43.261  156.468  163.080   94.507   18.990   99.727   40.923 -5.219894 45.11389 
1 1 1   23   26   12 o  153.081   17.132  314.487   64.367  277.125   69.163  556.201  175.919  141.801   20.094  179.869   40.179 -38.06729 44.92392 
1 1 1   23   26   13 o  173.472   14.652  395.712   62.879  391.175   67.445  425.852  173.845  171.706   15.910  151.720   43.582 19.98589 46.39565 
1 1 1   23   26   14 o   42.890   17.363   12.848   28.882   12.898   29.400   11.482  154.540   43.176   17.505   79.467   36.032 -36.29055 40.05886 
1 1 1   23   26   15 o  108.985   17.017  160.619   44.800  152.802   46.491  262.240  167.623  105.646   18.284  118.541   43.381 -12.89553 47.07684 
1 1 1   23   26   16 o  102.174   18.011  142.802   44.276  141.068   46.094  163.480  159.197  101.087   18.956  101.001   40.809 0.8530426E-01 44.99644 
1 1 1   23   26   17 o  148.896   15.543  294.092   56.940  299.114   60.416  254.167  170.337  149.666   16.436  116.607   43.538 33.05912 46.53680 
1 1 1   23   26   18 o  138.081   36.606  319.370  128.269  319.370  128.269   0.0000   0.0000  138.081   36.606  ?   ?  0.000000 36.60618 
1 1 1   23   26   19 o  155.545   15.256  320.278   58.493  315.928   62.710  349.398  162.256  153.686   16.604  136.969   42.765 16.71719 45.87512 
1 1 1   23   26   20 o  122.208   17.235  201.968   51.137  206.960   54.352  163.478  150.920  123.201   18.216  100.200   39.996 23.00163 43.94868 
1 1 1   23   26   21 o  127.705   16.735  219.531   52.083  204.789   55.367  332.868  153.519  122.193   18.743  134.554   41.530 -12.36123 45.56363 
1 1 1   23   26   22 o  239.111   15.379  755.660   91.343  811.581  104.089  568.339  190.506  246.315   17.027  175.421   43.661 70.89391 46.86390 
1 1 1   23   26   23 o   39.179   17.240  -4.5244   32.681  -9.3362   33.623   77.722  139.009   38.443   17.168   84.593   36.402 -46.15067 40.24749 
1 1 1   23   26   24 o   58.164   20.724   42.961   37.940   33.532   39.486  156.375  136.942   54.842   20.855   97.231   38.323 -42.38934 43.62976 
1 1 1   23   26   25 o  114.355   19.375  182.196   53.352  196.513   57.395   91.190  144.707  118.380   20.136   86.350   37.149 32.02965 42.25589 
1 1 1   23   26   26 o   48.818   20.171   16.006   39.974   6.0737   41.883  117.602  133.953   46.758   20.047   89.037   36.868 -42.27804 41.96605 
1 1 1   23   26   27 o  165.715   16.442  370.860   67.141  374.042   74.372  356.842  156.090  164.931   18.370  134.553   41.934 30.37817 45.78080 
1 1 1   23   26   28 o  146.678   41.121  416.120  156.687   0.0000   0.0000  416.120  156.687  ?   ?   146.678   41.121 0.000000 41.12081 
1 1 1   23   26   29 o   65.131   30.499 -35.0890  124.283   0.0000   0.0000 -35.0890  124.283  ?   ?    65.131   30.499 0.000000 30.49947 
1 1 1   23   27    0 o  179.354   14.324  432.103   63.619  436.460   66.902  390.952  205.602  179.607   15.055  119.534   47.007 60.07322 49.35868 
1 1 1   23   27    1 o   51.910   18.707   34.245   30.999   37.486   31.494 -66.6305  175.693   53.510   18.901   70.347   33.865 -16.83759 38.78265 
1 1 1   23   27    2 o   45.553   17.947   19.946   30.022   24.532   30.478 -129.7590  174.128   47.613   18.271   66.418   32.378 -18.80566 37.17771 
1 1 1   23   27    3 o   53.894   18.573   38.318   30.305   36.737   30.771   89.281  174.735   53.233   18.694   85.372   38.547 -32.13894 42.84077 
1 1 1   23   27    4 o   79.250   18.848   89.546   36.756   89.785   37.668   84.781  168.083   79.181   19.240   85.027   38.149 -5.845711 42.72593 
1 1 1   23   27    5 o   71.727   19.469   73.623   35.766   74.330   36.552   57.726  173.353   71.985   19.742   83.154   37.880 -11.16901 42.71558 
1 1 1   23   27    6 o   97.978   18.987  135.077   44.778  135.077   44.778   0.0000   0.0000   97.978   18.987  ?   ?  0.000000 18.98724 
1 1 1   23   27    7 o   86.987   32.426  118.825   94.409  118.825   94.409   0.0000   0.0000   86.987   32.426  ?   ?  0.000000 32.42591 
1 1 1   23   27    8 o   97.814   17.641  132.195   41.505  137.044   42.874   59.930  165.523   99.488   17.916   83.957   37.749 15.53093 41.78456 
1 1 1   23   27    9 o   83.137   18.677   97.097   37.830  100.269   38.909   42.273  161.739   84.401   18.928   81.850   37.009 2.551163 41.56863 
1 1 1   23   27   10 o  226.983   13.995  677.149   78.939  664.675   85.718  746.774  202.518  223.672   15.441  204.315   41.117 19.35631 43.92038 
1 1 1   23   27   11 o  126.036   15.557  212.754   47.923  216.789   50.013  167.495  167.507  126.918   16.146   99.373   41.194 27.54500 44.24541 
1 1 1   23   27   12 o  108.719   19.284  164.478   50.437  167.810   52.804  129.785  170.382  109.391   20.070   94.338   40.441 15.05260 45.14677 
1 1 1   23   27   13 o   77.191   20.665   84.963   40.624   90.120   41.876   2.5634  167.379   79.416   20.850   79.258   36.520 0.1578751 42.05265 
1 1 1   23   27   14 o  117.568   16.399  186.507   46.834  178.757   48.720  280.843  169.975  114.428   17.615  119.358   43.684 -4.930237 47.10146 
1 1 1   23   27   15 o   54.776   18.979   38.333   31.665   39.327   32.298   13.694  160.758   55.381   19.169   79.533   36.326 -24.15182 41.07344 
1 1 1   23   27   16 o   41.442   17.134   9.3854   28.870   7.8336   29.324   58.292  164.624   41.134   17.159   85.120   38.003 -43.98596 41.69734 
1 1 1   23   27   17 o   68.428   20.169   65.801   36.806   63.181   37.707  118.694  169.415   67.190   20.556   93.187   40.143 -25.99713 45.10021 
1 1 1   23   27   18 o  203.258   31.513  643.207  154.774  643.207  154.774   0.0000   0.0000  203.258   31.513  ?   ?  0.000000 31.51301 
1 1 1   23   27   19 o  225.219   23.837  724.739  132.023  909.073  170.368  447.644  208.882  246.516   28.182  143.548   48.778 102.9675 56.33416 
1 1 1   23   27   20 o  188.034   15.289  469.116   71.168  474.363   77.232  439.581  183.225  188.103   16.612  148.488   45.291 39.61459 48.24189 
1 1 1   23   27   21 o  113.080   17.992  175.559   49.103  167.210   51.559  256.981  161.014  109.424   19.588  115.108   42.457 -5.683990 46.75809 
1 1 1   23   27   22 o  135.014   16.324  245.573   53.921  247.342   57.258  231.709  160.281  134.849   17.410  109.970   41.971 24.87880 45.43825 
1 1 1   23   27   23 o   99.882   19.853  140.739   47.773  156.182   50.354   1.5563  151.171  105.336   19.871   75.790   34.842 29.54601 40.11030 
1 1 1   23   27   24 o   58.669   20.826   44.582   38.280   37.872   39.676  134.927  145.582   56.305   21.014   92.364   38.356 -36.05944 43.73531 
1 1 1   23   27   25 o  129.633   20.096  236.406   62.950  246.483   68.750  184.137  156.579  131.210   21.744   99.947   40.440 31.26212 45.91539 
1 1 1   23   27   26 o   39.360   17.704 -11.1367   36.448   2.0285   37.699 -199.8172  142.717   43.457   18.828   56.795   28.013 -13.33817 33.75233 
1 1 1   23   27   27 o  105.172   21.399  160.481   54.288  170.451   58.009   90.158  154.065  107.867   22.273   84.551   37.309 23.31582 43.45155 
1 1 1   23   27   28 o   80.710   35.735   74.435  142.520   0.0000   0.0000   74.435  142.520  ?   ?    80.710   35.735 0.000000 35.73487 
1 1 1   23   28    0 o   49.282   18.364   29.994   30.274   26.456   30.634  177.867  198.047   47.865   18.329   88.736   40.448 -40.87145 44.40728 
1 1 1   23   28    1 o   97.756   17.396  135.465   40.909  131.981   41.821  212.776  197.006   95.996   18.110   93.919   41.778 2.076584 45.53382 
1 1 1   23   28    2 o   37.698   16.175   3.1559   27.300   1.5735   27.610   72.405  182.648   37.356   16.149   80.848   37.564 -43.49145 40.88833 
1 1 1   23   28    3 o   46.418   18.214   21.827   30.807   27.593   31.267 -169.7598  180.229   48.956   18.572   64.090   31.586 -15.13472 36.64150 
1 1 1   23   28    4 o   86.067   18.558  105.984   38.712  106.612   39.643   93.093  179.663   86.106   18.951   84.397   38.491 1.709618 42.90338 
1 1 1   23   28    5 o   97.184   31.505  162.531   87.363  141.389   99.610  233.001  181.854   90.152   33.366  102.272   42.702 -12.11951 54.19223 
1 1 1   23   28    6 o   70.940   19.873   72.843   36.611   72.843   36.611   0.0000   0.0000   70.940   19.873  ?   ?  0.000000 19.87334 
1 1 1   23   28    7 o   52.698   24.670 -43.5148   81.215 -43.5148   81.215   0.0000   0.0000   52.698   24.670  ?   ?  0.000000 24.67015 
1 1 1   23   28    8 o   40.188   16.727   8.4498   27.779   12.448   28.174 -131.0869  166.430   41.901   17.080   65.857   32.003 -23.95581 36.27569 
1 1 1   23   28    9 o  182.030   13.872  438.538   62.581  421.078   66.097  589.699  194.479  177.468   15.057  169.927   45.087 7.541702 47.53421 
1 1 1   23   28   10 o  147.696   14.943  291.729   54.357  300.049   57.102  211.396  177.431  149.416   15.531  102.995   42.522 46.42060 45.26953 
1 1 1   23   28   11 o   94.871   18.187  125.672   41.518  125.796   42.749  123.613  174.286   94.615   18.756   91.417   40.029 3.198807 44.20549 
1 1 1   23   28   12 o   35.368   15.498  -3.0124   26.167  -4.1708   26.487   44.110  168.932   35.212   15.507   82.088   37.394 -46.87609 40.48171 
1 1 1   23   28   13 o   70.072   20.586   70.152   38.399   75.701   39.413 -33.5626  170.393   72.613   20.718   75.035   35.319 -2.422630 40.94709 
1 1 1   23   28   14 o  101.507   17.728  142.370   43.302  140.401   44.613  174.396  179.955  100.390   18.477   99.065   41.984 1.324821 45.87003 
1 1 1   23   28   15 o   42.031   17.067   12.564   27.996   12.118   28.385   28.489  169.767   42.063   17.145   81.032   37.130 -38.96899 40.89743 
1 1 1   23   28   16 o   60.172   19.130   49.729   32.329   44.019   32.900  210.143  174.378   57.474   19.359  104.599   42.549 -47.12482 46.74586 
1 1 1   23   28   17 o  159.421   14.729  337.662   57.972  339.074   60.702  323.017  195.508  159.280   15.456  121.088   46.321 38.19144 48.83110 
1 1 1   23   28   18 o   73.557   19.969   77.189   37.621   75.089   38.563  118.620  171.275   72.467   20.429   91.567   39.899 -19.09926 44.82527 
1 1 1   23   28   19 o   73.195   31.698   43.570  106.766   43.570  106.766   0.0000   0.0000   73.195   31.698  ?   ?  0.000000 31.69819 
1 1 1   23   28   20 o  251.628   14.948  839.968   93.506  862.795  103.107  734.241  221.903  253.564   16.371  190.613   46.931 62.95055 49.70488 
1 1 1   23   28   21 o  148.754   16.160  298.400   59.063  315.540   62.607  159.730  178.074  152.633   16.698   96.637   41.382 55.99625 44.62435 
1 1 1   23   28   22 o   78.380   20.232   88.337   39.869   85.437   41.122  133.758  162.746   76.854   20.883   92.209   39.526 -15.35450 44.70314 
1 1 1   23   28   23 o   70.464   20.773   71.445   39.041   64.868   40.300  171.876  157.474   67.445   21.349   97.293   40.102 -29.84812 45.43074 
1 1 1   23   28   24 o   42.370   18.136   4.6188   34.176   6.1434   35.050 -24.7999  153.966   43.280   18.442   72.211   33.857 -28.93145 38.55382 
1 1 1   23   28   25 o   67.064   21.572   64.493   41.018   66.876   42.577   33.736  152.975   68.127   21.985   77.574   35.433 -9.446671 41.69926 
1 1 1   23   28   26 o   56.126   21.541   36.919   42.366   32.682   44.093   87.873  152.898   55.150   21.743   83.388   36.962 -28.23785 42.88299 
1 1 1   23   28   27 o   65.224   31.361 -83.3239  149.602   0.0000   0.0000 -83.3239  149.602  ?   ?    65.224   31.361 0.000000 31.36104 
1 1 1   23   29    0 o   34.924   15.326  -0.9299   25.676  -2.5564   25.880  101.035  204.911   34.537   15.263   78.230   37.370 -43.69308 40.36666 
1 1 1   23   29    1 o   77.598   19.235   90.054   37.085   96.349   37.711 -94.7957  204.347   80.439   19.065   67.722   33.425 12.71680 38.47966 
1 1 1   23   29    2 o   71.617   19.368   76.499   35.471   78.773   36.056   8.1677  197.628   72.618   19.480   74.012   35.702 -1.394196 40.67056 
1 1 1   23   29    3 f   50.580   18.731   32.254   31.403   34.495   31.844 -46.9346  189.306   51.668   18.908   70.580   34.260 -18.91183 39.13112 
1 1 1   23   29    4 o   87.092   39.783  147.054  192.876   0.0000   0.0000  147.054  192.876  ?   ?    87.092   39.783 0.000000 39.78284 
1 1 1   23   29    5 o   51.199   18.612   33.391   30.782   33.391   30.782   0.0000   0.0000   51.199   18.612  ?   ?  0.000000 18.61234 
1 1 1   23   29    6 f   76.479   19.350   85.418   36.983   86.475   37.773   60.917  181.832   76.823   19.620   80.300   37.367 -3.477264 42.20430 
1 1 1   23   29    7 o   91.392   18.105  118.712   39.859  112.055   40.816  255.717  185.158   88.148   19.095  103.448   43.132 -15.30029 47.16982 
1 1 1   23   29    8 o   86.383   32.211  126.777   93.178  126.777   93.178   0.0000   0.0000   86.383   32.211  ?   ?  0.000000 32.21126 
1 1 1   23   29    9 o  100.894   17.580  142.465   42.682  148.460   43.924   40.935  180.771  102.952   17.725   80.129   37.277 22.82236 41.27652 
1 1 1   23   29   10 o   75.932   19.109   83.005   36.206   84.996   36.997   37.948  176.012   76.754   19.317   79.799   37.007 -3.044876 41.74575 
1 1 1   23   29   11 o   75.777   19.290   82.672   36.596   76.645   37.344  228.765  183.845   72.731   19.958  102.750   42.922 -30.01912 47.33475 
1 1 1   23   29   12 o   77.469   19.235   86.175   37.040   86.364   37.834   81.802  181.806   77.412   19.563   85.337   38.843 -7.925186 43.49083 
1 1 1   23   29   13 o  113.127   16.745  175.771   45.876  179.073   47.309  123.695  187.868  113.956   17.157   90.458   40.476 23.49812 43.96241 
1 1 1   23   29   14 o   56.957   19.821   43.004   34.557   45.897   35.217 -31.9972  179.307   58.359   20.027   75.183   35.641 -16.82397 40.88175 
1 1 1   23   29   15 o   47.745   18.229   24.584   30.241   32.344   30.675 -243.7525  180.385   51.297   18.590   62.015   30.751 -10.71793 35.93379 
1 1 1   23   29   16 o   57.310   19.361   44.265   32.906   43.290   33.493   71.332  176.465   56.942   19.531   84.568   38.406 -27.62607 43.08671 
1 1 1   23   29   17 o  162.257   14.645  351.344   58.700  349.446   61.587  370.179  194.007  161.212   15.489  125.881   46.570 35.33065 49.07826 
1 1 1   23   29   18 o   57.919   19.599   45.312   33.721   47.248   34.268 -13.8166  189.365   58.892   19.758   78.179   36.931 -19.28682 41.88419 
1 1 1   23   29   19 o  142.350   35.670  356.240  126.540  356.240  126.540   0.0000   0.0000  142.350   35.670  ?   ?  0.000000 35.66980 
1 1 1   23   29   20 o  111.498   33.174  214.789   99.198  197.893  116.127  260.399  190.798  103.848   36.325  108.110   44.302 -4.261414 57.28976 
1 1 1   23   29   21 o   99.291   18.903  139.354   45.157  163.436   46.657 -217.1447  179.517  108.354   17.866   63.016   31.144 45.33813 35.90499 
1 1 1   23   29   22 o   92.265   19.614  121.967   43.800  122.421   45.262  115.280  173.733   92.078   20.237   88.399   39.281 3.679092 44.18764 
1 1 1   23   29   23 f   58.585   20.539   46.124   37.138   47.620   38.080   16.977  168.066   59.368   20.799   77.166   35.913 -17.79771 41.50135 
1 1 1   23   29   24 o   67.060   21.034   65.138   39.203   64.050   40.363   83.245  164.700   66.575   21.397   83.220   37.513 -16.64474 43.18672 
1 1 1   23   29   25 o   56.272   20.798   40.276   38.678   39.359   39.842   55.272  161.169   56.180   21.041   79.316   36.283 -23.13636 41.94208 
1 1 1   23   29   26 f   72.727   34.240  -5.9660  160.282   0.0000   0.0000  -5.9660  160.282  ?   ?    72.727   34.240 0.000000 34.23954 
1 1 1   23   29   27 o   96.048   40.874  202.559  171.774   0.0000   0.0000  202.559  171.774  ?   ?    96.048   40.874 0.000000 40.87405 
1 1 1   23   30    0 o   89.481   32.329  173.931   92.665  173.931   92.665   0.0000   0.0000   89.481   32.329  ?   ?  0.000000 32.32907 
1 1 1   23   30    1 o   81.461   19.034  100.756   38.022   99.749   38.589  134.290  222.661   80.779   19.378   77.814   37.624 2.964622 42.32096 
1 1 1   23   30    2 o   62.305   19.194   58.567   32.808   60.878   33.234 -29.9783  205.730   63.412   19.277   69.233   34.048 -5.820644 39.12638 
1 1 1   23   30    3 o   68.779   33.747 -46.5758  198.442   0.0000   0.0000 -46.5758  198.442  ?   ?    68.779   33.747 0.000000 33.74660 
1 1 1   23   30    4 o  138.744   16.585  271.273   56.324  271.273   56.324   0.0000   0.0000  138.744   16.585  ?   ?  0.000000 16.58533 
1 1 1   23   30    5 o   56.360   19.676   44.691   34.064   46.322   34.610  -5.7805  192.482   57.150   19.840   72.470   35.026 -15.31945 40.25419 
1 1 1   23   30    6 o   86.569   18.374  108.982   38.493  114.840   39.274 -33.8876  193.960   88.986   18.285   71.565   34.724 17.42126 39.24419 
1 1 1   23   30    7 o  145.826   14.640  289.503   52.594  291.008   54.544  269.578  198.476  145.737   15.211   99.427   43.139 46.31060 45.74189 
1 1 1   23   30    8 o   81.821   18.550   97.173   37.028   90.143   37.714  285.235  195.056   78.270   19.394  102.945   43.674 -24.67493 47.78650 
1 1 1   23   30    9 o  133.886   33.003  319.882  109.639  319.882  109.639   0.0000   0.0000  133.886   33.003  ?   ?  0.000000 33.00349 
1 1 1   23   30   10 o   57.412   18.999   46.094   31.709   46.424   32.171   34.841  187.900   57.612   19.141   78.305   36.928 -20.69337 41.59416 
1 1 1   23   30   11 o   70.363   19.064   71.990   34.329   73.657   34.934   25.078  185.320   71.107   19.217   77.722   36.660 -6.615448 41.39107 
1 1 1   23   30   12 o   54.383   18.894   39.577   31.392   40.569   31.848   5.6466  186.287   54.925   19.033   76.626   36.325 -21.70033 41.00979 
1 1 1   23   30   13 o   90.553   18.466  116.993   40.341  113.249   41.263  197.999  191.945   88.626   19.199   95.983   42.019 -7.357307 46.19786 
1 1 1   23   30   14 o   36.161   15.732  -0.4872   26.537  -0.0943   26.812 -19.3476  185.757   36.464   15.838   75.156   35.813 -38.69247 39.15842 
1 1 1   23   30   15 o  100.951   19.929  147.036   48.456  142.739   49.955  215.408  199.259   98.774   20.905   98.499   42.974 0.2753830 47.78909 
1 1 1   23   30   16 o   77.431   19.215   86.691   36.979   81.818   37.655  218.771  196.032   74.944   19.817   99.217   42.960 -24.27274 47.31024 
1 1 1   23   30   17 o   44.414   17.593   18.315   28.996   19.993   29.347 -50.5939  188.086   45.242   17.770   73.484   35.289 -28.24152 39.51010 
1 1 1   23   30   18 o   57.897   19.505   46.106   33.397   51.728   33.930 -128.5267  189.106   60.607   19.633   68.591   33.504 -7.983776 38.83279 
1 1 1   23   30   19 o   81.881   19.603   97.242   39.550  104.263   40.347 -75.2658  199.992   84.937   19.442   73.288   35.489 11.64893 40.46536 
1 1 1   23   30   20 o   57.803   26.963 -32.9576   95.596 -32.9576   95.596   0.0000   0.0000   57.803   26.963  ?   ?  0.000000 26.96308 
1 1 1   23   30   21 o   87.539   19.404  110.742   41.303  108.503   42.291  156.999  192.200   86.271   20.017   91.588   40.964 -5.316261 45.59335 
1 1 1   23   30   22 o  103.127   18.568  151.106   46.059  147.313   47.462  212.465  190.881  101.191   19.490   97.597   42.325 3.593712 46.59649 
1 1 1   23   30   23 o   56.423   20.024   42.642   35.386   40.303   36.058  103.590  184.059   55.550   20.152   84.944   38.826 -29.39362 43.74390 
1 1 1   23   30   24 o  161.558   15.833  356.816   63.055  376.284   66.743  195.130  192.346  165.453   16.369   94.264   41.636 71.18887 44.73807 
1 1 1   23   30   25 o   94.413   41.050  199.759  180.488   0.0000   0.0000  199.759  180.488  ?   ?    94.413   41.050 0.000000 41.05031 
1 1 1   23   31    1 o  117.362   33.902  305.755  104.932  305.755  104.932   0.0000   0.0000  117.362   33.902  ?   ?  0.000000 33.90247 
1 1 1   23   31    2 f   65.153   32.642 -76.4766  226.654   0.0000   0.0000 -76.4766  226.654  ?   ?    65.153   32.642 0.000000 32.64152 
1 1 1   23   31    3 o   51.580   18.910   37.074   31.873   37.074   31.873   0.0000   0.0000   51.580   18.910  ?   ?  0.000000 18.91038 
1 1 1   23   31    4 o   79.011   19.254   95.367   37.642   89.418   38.231  284.192  215.387   75.964   19.911   88.877   41.119 -12.91332 45.68604 
1 1 1   23   31    5 o   34.054   15.155  -3.9178   25.950  -4.9569   26.161   59.715  204.719   33.881   15.136   74.066   35.875 -40.18539 38.93768 
1 1 1   23   31    6 o   84.943   18.387  106.840   37.870  109.994   38.545   19.121  203.276   86.164   18.469   72.528   35.273 13.63623 39.81606 
1 1 1   23   31    7 o  148.372   15.191  305.107   55.491  299.968   57.324  381.641  221.223  146.397   15.938  103.251   45.158 43.14599 47.88783 
1 1 1   23   31    8 o  149.176   14.983  306.663   55.062  301.508   56.932  381.294  216.632  147.220   15.729  105.721   45.468 41.49956 48.11152 
1 1 1   23   31    9 o   43.274   17.377   17.348   28.675   19.756   28.974 -97.3094  199.956   44.359   17.582   67.831   33.399 -23.47246 37.74374 
1 1 1   23   31   10 o  108.220   33.789  227.584  101.290  227.584  101.290   0.0000   0.0000  108.220   33.789  ?   ?  0.000000 33.78856 
1 1 1   23   31   11 o   74.324   18.940   81.423   35.254   83.790   35.820   8.3609  199.045   75.363   19.030   75.024   36.099 0.3385391 40.80738 
1 1 1   23   31   12 o   62.104   19.221   56.203   32.860   46.497   33.310  408.400  200.651   57.421   19.479  118.189   46.450 -60.76866 50.36898 
1 1 1   23   31   13 f   37.677   16.036   4.8284   26.448   0.6540   26.684  237.846  199.364   36.398   15.805   96.264   42.461 -59.86511 45.30663 
1 1 1   23   31   14 o   43.211   17.419   16.198   28.933   17.022   29.249 -21.2922  197.314   43.672   17.546   73.993   35.688 -30.32158 39.76771 
1 1 1   23   31   15 o   71.750   20.802   76.990   39.440   76.690   40.202   84.685  203.475   71.512   21.079   82.413   38.730 -10.90130 44.09492 
1 1 1   23   31   16 o   72.571   20.190   78.163   37.926   84.419   38.569 -104.5981  208.469   75.441   20.108   70.591   34.626 4.850349 40.04122 
1 1 1   23   31   17 o   61.793   19.539   55.126   33.762   54.217   34.202   89.764  211.098   61.359   19.694   83.496   39.305 -22.13728 43.96285 
1 1 1   23   31   18 f   30.602   14.139 -16.4627   25.339 -20.4940   25.533  245.999  206.021   29.758   13.899   98.148   43.234 -68.39008 45.41357 
1 1 1   23   31   19 o   92.595   18.548  123.377   41.392  117.542   42.205  270.501  211.941   89.785   19.391  100.401   44.048 -10.61648 48.12776 
1 1 1   23   31   20 o   48.492   19.001   25.113   33.486   25.113   33.486   0.0000   0.0000   48.492   19.001  ?   ?  0.000000 19.00085 
1 1 1   23   31   21 o  108.223   32.874  215.829   96.675  193.850  108.648  299.391  211.845   99.328   35.104  103.145   44.660 -3.817253 56.80465 
1 1 1   23   31   22 o   66.644   20.587   65.850   37.716   63.191   38.335  146.245  210.790   65.392   20.835   87.304   40.492 -21.91215 45.53788 
1 1 1   23   31   23 o   59.226   20.226   49.860   35.916   50.615   36.527   27.875  197.200   59.609   20.397   76.936   36.726 -17.32658 42.01029 
1 1 1   23   31   24 o  212.571   14.940  615.321   78.803  614.750   84.302  619.271  221.819  211.055   16.117  145.233   50.237 65.82230 52.75905 
1 1 1   23   32    4 o   73.360   19.272   84.788   35.763   85.445   36.231   59.874  223.210   73.517   19.438   69.248   34.315 4.269333 39.43778 
1 1 1   23   32    5 o   41.449   17.077   15.181   28.539   14.191   28.786   72.134  218.346   41.188   17.076   71.046   34.966 -29.85766 38.91275 
1 1 1   23   32    6 o   39.082   16.468   9.6486   27.429   9.4355   27.656   22.469  214.513   39.116   16.512   69.608   34.335 -30.49240 38.09885 
1 1 1   23   32    7 o   78.757   19.804   96.140   38.909  109.002   39.566 -281.5605  214.411   84.536   19.183   58.417   29.573 26.11866 35.24983 
1 1 1   23   32    8 o   88.271   18.552  116.588   39.595  121.697   40.305 -24.5851  211.856   90.281   18.499   68.997   34.050 21.28406 38.75089 
1 1 1   23   32    9 o   46.124   17.775   25.147   28.930   24.399   29.216   62.834  207.293   45.900   17.814   74.387   36.048 -28.48670 40.20896 
1 1 1   23   32   10 o   74.970   19.643   85.658   37.216   94.246   37.788 -191.2979  214.593   78.941   19.325   63.206   31.680 15.73458 37.10915 
1 1 1   23   32   11 o   77.787   30.722  111.180   88.174  111.180   88.174   0.0000   0.0000   77.787   30.722  ?   ?  0.000000 30.72154 
1 1 1   23   32   12 o   50.519   18.526   33.511   30.594   28.251   30.926  274.550  209.358   48.319   18.437   93.667   42.252 -45.34841 46.09943 
1 1 1   23   32   13 o   40.104   16.717   10.364   27.805   4.5383   28.042  350.445  214.244   38.192   16.390  102.005   44.531 -63.81368 47.45146 
1 1 1   23   32   14 o  122.733   15.778  210.226   47.236  194.402   48.355  540.513  220.917  116.976   17.055  126.484   49.013 -9.508446 51.89604 
1 1 1   23   32   15 f   64.490   19.415   61.909   33.831   54.935   34.235  352.580  221.014   61.064   19.714  102.603   44.999 -41.53945 49.12785 
1 1 1   23   32   16 o   55.481   19.804   42.565   34.663   39.137   35.114  173.461  216.973   54.089   19.846   86.404   40.410 -32.31524 45.01989 
1 1 1   23   32   17 f   52.439   18.897   36.762   31.632   37.982   31.976 -19.0926  216.320   53.055   19.012   73.647   35.943 -20.59181 40.66162 
1 1 1   23   32   18 o   84.220   19.293  105.131   39.704  117.871   40.378 -267.1410  218.264   89.790   18.619   62.674   31.487 27.11583 36.58008 
1 1 1   23   32   19 o   92.418   18.070  123.694   40.208  128.276   40.923  -4.0010  216.048   94.165   18.060   74.541   36.278 19.62409 40.52487 
1 1 1   23   32   20 o  102.007   17.854  149.653   43.824  150.062   44.708  139.616  221.511  101.861   18.246   83.991   39.758 17.86992 43.74454 
1 1 1   23   32   21 o   93.867   33.508  175.383   99.233  175.383   99.233   0.0000   0.0000   93.867   33.508  ?   ?  0.000000 33.50816 
1 1 1   23   32   22 o   69.426   20.225   72.948   37.202   65.767   37.728  325.057  223.549   65.978   20.625   99.224   44.294 -33.24607 48.86010 
1 1 1   23   33    8 o   70.606   19.148   78.258   34.614   73.895   34.985  280.550  238.201   68.316   19.529   80.989   39.100 -12.67307 43.70544 
1 1 1   23   33    9 o   82.124   18.506  103.002   37.042  103.611   37.524   79.735  231.950   82.214   18.699   71.785   35.464 10.42861 40.09170 
1 1 1   23   33   10 o  105.490   16.835  162.383   42.857  163.980   43.631  118.543  228.636  105.781   17.101   74.636   36.538 31.14474 40.34164 
1 1 1   23   33   11 o   59.488   19.156   53.887   32.340   52.201   32.656  139.873  233.178   58.649   19.275   76.699   37.407 -18.05002 42.08125 
1 1 1   23   33   12 o   88.944   31.887  166.006   89.956  166.006   89.956   0.0000   0.0000   88.944   31.887  ?   ?  0.000000 31.88719 
1 1 1   23   33   13 o   68.996   19.141   72.871   34.137   66.438   34.538  345.201  224.711   65.700   19.580   93.369   42.759 -27.66945 47.02920 
1 1 1   23   33   14 o   99.054   17.462  143.201   41.614  137.205   42.296  324.792  232.758   96.277   18.260   91.555   42.494 4.721474 46.25132 
1 1 1   23   33   15 o   35.443   15.579  -0.7076   26.624  -0.8594   26.815   9.8148  223.254   35.508   15.621   71.996   35.418 -36.48759 38.71019 
1 1 1   23   33   16 o   55.544   19.093   44.697   32.014   42.845   32.336  136.426  227.546   54.708   19.166   79.486   38.334 -24.77877 42.85844 
1 1 1   23   33   17 o   50.525   19.255   32.534   33.704   34.924   34.081 -73.6401  227.171   51.572   19.432   68.830   34.195 -17.25811 39.33040 
1 1 1   23   33   18 o   53.086   19.069   39.177   32.183   36.370   32.492  184.858  234.063   51.898   19.083   82.949   39.710 -31.05082 44.05716 
1 1 1   24  -13    0 o   43.404   19.368 -10.5363   42.694 -154.0726  185.025  -2.4641   43.878   71.116   34.364   45.947   20.103 25.16909 39.81186 
1 1 1   24  -13    1 o  112.120   23.152  180.222   62.676  351.549  197.696  161.078   66.084  131.118   47.244  104.457   25.546 26.66127 53.70822 
1 1 1   24  -12    0 o   96.660   22.735  132.754   53.958  399.990  182.619  107.193   56.480  147.174   45.274   86.213   24.864 60.96068 51.65191 
1 1 1   24  -12    1 o  142.284   20.324  277.817   70.162  503.589  200.927  246.464   74.875  163.295   46.839  131.885   23.601 31.41006 52.44881 
1 1 1   24  -12    2 o  183.277   19.509  456.645   87.914  642.753  214.536  419.086   96.378  186.063   46.346  172.960   22.876 13.10252 51.68429 
1 1 1   24  -12    3 o  190.471   18.896  491.909   88.693  946.019  218.433  402.261   97.053  240.058   37.678  168.377   23.741 71.68126 44.53419 
1 1 1   24  -12    4 o  151.005   21.148  317.887   77.558  345.864  200.378  312.957   84.114  128.653   47.378  148.051   23.539 -19.39775 52.90297 
1 1 1   24  -11    0 o  112.226   21.422  174.511   57.846  415.929  181.095  147.080   61.044  153.265   44.614  101.472   24.392 51.79366 50.84698 
1 1 1   24  -11    1 o   74.361   23.419   76.734   48.542  280.547  174.457   59.631   50.538  125.200   44.457   67.963   23.950 57.23710 50.49776 
1 1 1   24  -11    2 o  103.900   22.987  153.103   58.062  336.917  187.627  133.637   61.059  133.859   46.209   96.003   25.163 37.85607 52.61609 
1 1 1   24  -11    3 o  287.698   20.432  1123.79  145.834  1203.43  265.026  1089.20  174.653  268.752   40.770  277.137   25.523 -8.384979 48.09985 
1 1 1   24  -11    4 o  235.262   20.681  756.739  120.263  560.656  233.878  827.224  140.222  164.146   51.358  243.182   23.379 -79.03654 56.42908 
1 1 1   24  -11    5 o   82.889   24.799   99.922   55.321   93.132  190.863  100.545   57.802   93.571   41.395   83.024   25.460 10.54675 48.59785 
1 1 1   24  -11    6 f   84.884   26.016  106.612   60.365   1.3946  179.283  120.066   64.109   81.717   37.703   89.547   26.674 -7.830696 46.18511 
1 1 1   24  -11    7 o  127.811   22.387  232.979   68.847  299.927  193.076  223.226   73.691  119.971   45.999  123.365   24.781 -3.393761 52.24910 
1 1 1   24  -10    0 o  119.014   21.144  194.110   60.537  161.339  174.959  198.567   64.522  106.496   42.868  119.788   22.393 -13.29189 48.36434 
1 1 1   24  -10    1 o  156.637   19.011  328.817   72.839  441.504  181.691  307.239   79.508  160.091   44.060  149.722   21.914 10.36876 49.20877 
1 1 1   24  -10    2 o   46.300   19.727   4.6189   40.103 -20.2701  162.285   6.2376   41.386   79.730   36.448   47.394   20.113 32.33629 41.62912 
1 1 1   24  -10    3 o  142.490   20.453  277.059   70.689  373.496  198.462  263.047   75.650  140.696   47.547  137.392   22.852 3.303925 52.75399 
1 1 1   24  -10    4 o   53.528   21.899   20.098   46.523   0.0000   0.0000   20.098   46.523  ?   ?    53.528   21.899 0.000000 21.89858 
1 1 1   24  -10    5 f  135.452   46.530  351.963  190.131  351.963  190.131   0.0000   0.0000  135.452   46.530  ?   ?  0.000000 46.52995 
1 1 1   24  -10    6 o  111.143   23.310  176.448   62.631   38.545  180.186  195.399   66.796   86.993   39.224  116.876   23.697 -29.88223 45.82645 
1 1 1   24  -10    7 o  108.657   22.939  168.969   60.289  453.077  186.891  135.969   63.694  153.926   45.471   95.738   25.979 58.18840 52.36925 
1 1 1   24  -10    8 o   75.525   24.745   81.537   53.838  121.671  184.589   77.805   56.285   95.294   41.474   74.285   25.320 21.00887 48.59200 
1 1 1   24  -10    9 o   69.220   24.448   65.467   52.692   83.600  194.772   64.036   54.733   90.613   40.825   68.978   24.858 21.63522 47.79736 
1 1 1   24  -10   10 o  172.618   20.666  417.470   87.310  522.178  214.841  396.756   95.556  152.317   49.408  165.425   23.818 -13.10802 54.84984 
1 1 1   24   -9    0 o   67.267   19.207   61.196   33.862   87.748   58.599   47.884   41.491   80.062   25.787   62.244   21.716 17.81800 33.71259 
1 1 1   24   -9    1 o  126.564   14.216  208.522   44.154  227.113   71.355  196.986   56.208  128.173   23.145  120.975   19.251 7.198357 30.10482 
1 1 1   24   -9    2 o  177.034   18.595  416.662   80.978  544.957  191.305  388.656   89.381  181.432   42.899  169.137   21.659 12.29556 48.05697 
1 1 1   24   -9    3 o   49.366   20.496   12.372   41.555   10.611  162.027   12.496   42.993   83.629   37.493   50.061   20.821 33.56811 42.88662 
1 1 1   24   -9    4 o   96.467   22.963  131.313   54.520  311.776  177.310  112.470   57.296  132.402   44.941   88.721   24.864 43.68091 51.36070 
1 1 1   24   -9    5 o   83.215   24.099   98.447   52.960  137.086  169.000   94.239   55.769  100.380   41.475   81.508   25.010 18.87162 48.43254 
1 1 1   24   -9    6 o  125.131   21.595  217.337   65.041  264.788  179.170  210.135   69.802  121.134   44.766  121.723   23.817 -0.5893707 50.70718 
1 1 1   24   -9    7 o  178.516   19.191  430.956   84.209  609.763  199.227  392.062   92.917  186.221   43.609  167.653   22.784 18.56764 49.20238 
1 1 1   24   -9    8 o  120.669   22.443  205.580   65.138  121.734  179.984  218.217   69.875   96.739   41.520  123.767   23.467 -27.02799 47.69257 
1 1 1   24   -9    9 f   92.128   24.677  124.533   57.910   87.869  178.339  128.855   61.228   91.375   40.239   93.327   25.533 -1.952499 47.65606 
1 1 1   24   -9   10 o  161.557   20.693  362.689   81.563  415.336  213.069  353.649   88.288  137.662   49.105  157.615   23.119 -19.95288 54.27451 
1 1 1   24   -9   11 o   58.350   23.209   34.311   50.655  -4.6210  194.961   37.129   52.456   81.902   38.304   59.716   23.660 22.18591 45.02254 
1 1 1   24   -9   12 o   61.937   23.953   45.196   52.681   37.254  200.977   45.781   54.589   84.935   39.444   62.554   24.330 22.38138 46.34369 
1 1 1   24   -8    0 o  132.849   13.641  228.000   44.610  269.431   72.394  202.636   56.642  141.476   21.139  123.232   19.018 18.24376 28.43540 
1 1 1   24   -8    1 o  180.249   12.750  416.734   57.018  357.664   88.032  459.422   74.836  162.558   22.272  187.851   16.109 -25.29332 27.48684 
1 1 1   24   -8    2 o   94.763   16.767  119.724   38.225  109.832   62.890  125.518   48.136   88.352   26.443   95.690   20.743 -7.338455 33.60783 
1 1 1   24   -8    3 o  106.299   16.373  149.777   42.066  114.127   74.659  166.360   50.919   89.809   29.126  111.094   19.039 -21.28492 34.79641 
1 1 1   24   -8    4 o  262.615   19.013  914.597  123.845  914.597  123.845   0.0000   0.0000  262.615   19.013  ?   ?  0.000000 19.01336 
1 1 1   24   -8    5 o  108.725   18.976  160.185   49.647  130.536  167.853  163.027   51.972  100.648   41.434  109.367   19.757 -8.718872 45.90318 
1 1 1   24   -8    6 o  211.586   18.483  596.175   96.678  750.040  201.447  550.132  110.197  217.267   38.541  200.330   22.412 16.93726 44.58332 
1 1 1   24   -8    7 o   98.288   22.956  136.818   55.324  148.979  170.911  135.394   58.473  102.219   41.913   97.245   24.181 4.974663 48.38851 
1 1 1   24   -8    8 o  138.117   20.672  261.985   69.107  236.873  177.549  266.468   75.023  115.978   44.195  138.196   22.515 -22.21892 49.59941 
1 1 1   24   -8    9 o  130.445   20.473  234.541   64.495  534.668  185.761  193.404   68.773  174.255   42.962  115.912   24.525 58.34286 49.46881 
1 1 1   24   -8   10 o  145.949   20.161  292.980   71.517  529.345  192.355  255.065   77.040  169.275   44.804  133.570   23.978 35.70454 50.81717 
1 1 1   24   -8   11 o  140.786   21.683  278.104   73.784  299.280  202.928  274.879   79.205  120.824   46.932  138.490   23.758 -17.66595 52.60278 
1 1 1   24   -8   12 o  117.604   23.113  199.613   65.458  414.320  199.832  173.807   69.280  139.143   47.708  107.615   26.058 31.52863 54.36033 
1 1 1   24   -8   13 o   67.042   24.301   60.236   52.421  162.570  198.864   52.594   54.343   98.289   42.906   64.811   24.509 33.47897 49.41281 
1 1 1   24   -8   14 o   57.300   23.239   31.166   51.835   0.1935  199.545   33.407   53.678   80.945   38.137   58.474   23.672 22.47081 44.88660 
1 1 1   24   -8   15 o   82.549   38.426   46.433  192.540   46.433  192.540   0.0000   0.0000   82.549   38.426  ?   ?  0.000000 38.42584 
1 1 1   24   -7    0 o   58.029   19.265   42.270   32.594   40.912   57.857   42.902   39.449   64.826   25.093   60.045   21.160 4.780701 32.82397 
1 1 1   24   -7    1 o  189.331   12.402  458.034   58.310  459.055   90.665  457.314   76.148  186.332   19.788  187.590   16.421 -1.257568 25.71375 
1 1 1   24   -7    2 o  177.231   12.417  401.958   54.608  386.229   84.683  413.155   71.447  170.325   20.310  178.190   16.235 -7.864594 26.00140 
1 1 1   24   -7    3 f  100.469   19.607  136.610   47.426  124.417  163.068  137.737   49.569  101.765   41.237  100.595   20.430 1.169724 46.02021 
1 1 1   24   -7    4 o  259.655   12.116  859.702   78.563  944.198  119.354  795.102  104.360  268.313   17.916  246.699   17.045 21.61389 24.72874 
1 1 1   24   -7    5 f   83.469   18.196   94.546   36.857   76.842   62.394  104.035   45.679   76.525   26.634   86.722   21.257 -10.19662 34.07710 
1 1 1   24   -7    6 f   49.726   18.888   24.788   32.366 -25.4639   57.483   48.114   39.164   48.170   21.893   61.644   21.121 -13.47439 30.41983 
1 1 1   24   -7    7 o   76.403   19.006   80.198   36.114   89.228   62.512   75.674   44.244   80.298   26.681   74.040   22.183 6.258827 34.69877 
1 1 1   24   -7    8 o  145.359   13.563  274.583   48.664  223.084   78.546  306.666   61.996  124.559   26.088  152.269   16.572 -27.70967 30.90652 
1 1 1   24   -7    9 o  132.132   20.666  239.585   65.956  347.441  176.702  222.125   71.094  138.203   44.807  125.507   23.549 12.69518 50.61786 
1 1 1   24   -7   10 o  236.207   18.516  747.240  108.341  1123.80  226.635  635.697  123.348  269.416   34.477  213.425   23.535 55.99144 41.74427 
1 1 1   24   -7   11 o   88.165   23.839  112.292   53.745  384.737  182.305   86.359   56.245  142.239   45.449   77.947   25.280 64.29163 52.00619 
1 1 1   24   -7   12 o   64.289   23.869   50.780   51.053   68.819  178.671   49.176   53.274   89.286   39.747   64.241   24.273 25.04521 46.57257 
1 1 1   24   -7   13 o  114.897   23.672  191.305   65.660  157.164  191.028  195.878   69.920   99.728   42.788  115.410   24.985 -15.68271 49.54836 
1 1 1   24   -7   14 o   96.239   24.762  138.218   59.854  414.258  196.495  109.985   62.841  138.389   47.309   85.299   26.611 53.09093 54.27925 
1 1 1   24   -7   15 o   64.682   24.010   54.399   51.658   79.074  197.238   52.582   53.526   88.205   40.268   64.413   24.333 23.79208 47.04837 
1 1 1   24   -7   16 o  128.061   23.426  242.235   72.155  299.190  215.543  235.047   76.573  110.889   46.411  124.328   25.519 -13.43920 52.96429 
1 1 1   24   -7   17 o   98.001   26.019  151.385   64.743  157.175  213.860  150.800   67.930   92.372   42.077   97.001   27.034 -4.628601 50.01283 
1 1 1   24   -6    0 o   70.006   18.705   65.742   33.323   80.661   55.330   57.250   41.743   78.050   25.049   66.772   21.785 11.27759 33.19650 
1 1 1   24   -6    1 o  201.391   12.196  516.755   61.046  558.724   94.265  486.440   80.115  206.851   18.443  193.671   16.730 13.18022 24.89999 
1 1 1   24   -6    2 o  235.337   16.114  715.828   94.130   0.0000   0.0000  715.828   94.130  ?   ?   235.337   16.114 0.000000 16.11421 
1 1 1   24   -6    3 o  142.317   21.672  272.570   74.589  272.570   74.589   0.0000   0.0000  142.317   21.672  ?   ?  0.000000 21.67232 
1 1 1   24   -6    4 o  126.306   13.778  206.367   42.754  207.544   68.267  205.606   54.840  123.067   23.061  124.525   18.171 -1.458549 29.35962 
1 1 1   24   -6    5 o  245.775   11.900  769.004   73.033  721.432  110.939  805.390   97.023  233.835   19.167  249.334   15.662 -15.49919 24.75253 
1 1 1   24   -6    6 o   50.344   18.760   26.686   31.595  -1.2241   55.629   39.975   38.387   52.458   22.799   58.220   20.835 -5.761486 30.88515 
1 1 1   24   -6    7 o   73.183   18.801   73.115   34.542   85.447   59.691   66.906   42.354   79.129   26.062   70.346   21.830 8.783142 33.99707 
1 1 1   24   -6    8 o  193.540   12.640  481.800   60.756  407.763   95.265  532.558   78.879  172.511   22.662  201.915   15.769 -29.40343 27.60863 
1 1 1   24   -6    9 o  178.103   12.542  408.672   55.424  384.600   87.983  424.509   71.365  167.907   21.476  179.798   16.064 -11.89098 26.81862 
1 1 1   24   -6   10 f  248.559   12.261  792.564   76.105  804.289  117.817  784.169   99.696  244.900   19.424  244.182   16.446 0.7175446 25.45118 
1 1 1   24   -6   11 o  166.420   15.339  364.018   63.030  422.553  188.493  356.649   66.881  151.117   45.903  164.051   16.552 -12.93469 48.79630 
1 1 1   24   -6   12 o  115.360   22.296  187.395   61.906  238.597  177.193  180.277   66.070  115.293   44.099  111.940   24.330 3.352875 50.36543 
1 1 1   24   -6   13 o  110.590   22.892  174.488   61.138  390.858  186.204  148.343   64.727  141.683   46.000  100.266   25.725 41.41784 52.70448 
1 1 1   24   -6   14 f   96.307   24.293  136.037   58.417  205.230  196.436  129.324   61.185  106.846   44.477   93.294   25.524 13.55186 51.28045 
1 1 1   24   -6   15 o   64.239   23.705   52.507   50.201   76.146  190.866   50.750   52.033   89.386   40.330   64.008   24.031 25.37747 46.94648 
1 1 1   24   -6   16 o  124.714   22.751  225.231   68.243  441.933  209.129  199.406   72.195  138.312   48.722  114.932   25.789 23.37949 55.12570 
1 1 1   24   -6   17 o   91.886   25.657  130.106   61.125 -60.3961  201.011  149.516   64.164   76.163   36.550   98.497   25.785 -22.33364 44.73011 
1 1 1   24   -6   18 o   75.842   25.583   87.619   57.454  158.627  214.761   82.146   59.627   93.149   42.328   73.949   26.019 19.20022 49.68566 
1 1 1   24   -5    0 o   59.119   22.600   33.678   46.519   25.823   52.898   60.477   97.714   59.011   23.635   81.071   32.238 -22.06002 39.97436 
1 1 1   24   -5    1 o  153.106   13.165  300.017   49.844  265.810   76.792  324.921   65.522  140.735   22.616  158.191   16.846 -17.45540 28.20072 
1 1 1   24   -5    2 o   86.784   17.537  100.366   36.699   92.720   60.718  104.766   46.065   83.056   26.196   87.819   21.238 -4.762451 33.72389 
1 1 1   24   -5    3 o   39.879   17.035   0.6622   30.043 -25.5298   52.362   13.516   36.681   46.191   20.955   47.915   19.505 -1.723259 28.62851 
1 1 1   24   -5    4 o  144.923   12.975  269.483   46.459  301.265   73.646  248.474   59.877  150.635   20.078  137.468   17.865 13.16682 26.87515 
1 1 1   24   -5    5 o  136.493   13.113  239.670   44.147  286.941   70.509  209.189   56.618  146.941   19.712  125.554   18.623 21.38711 27.11791 
1 1 1   24   -5    6 f   68.037   19.013   62.409   33.553   95.334   57.077   45.023   41.476   83.173   25.258   61.280   21.686 21.89331 33.29045 
1 1 1   24   -5    7 o  134.140   13.469  232.531   44.508  213.355   71.527  244.648   56.856  124.108   23.947  136.270   17.083 -12.16219 29.41571 
1 1 1   24   -5    8 o  108.848   15.372  155.822   40.620  107.686   66.392  184.620   51.353   87.478   27.363  117.600   18.065 -30.12217 32.78784 
1 1 1   24   -5    9 o  110.959   14.971  161.725   40.423  162.145   67.727  161.493   50.380  106.575   25.739  109.243   19.167 -2.668724 32.09098 
1 1 1   24   -5   10 o  132.396   13.835  228.105   45.065  237.933   73.885  222.283   56.868  130.596   23.521  128.839   18.181 1.757034 29.72818 
1 1 1   24   -5   11 o  250.507   12.440  805.142   77.822  785.600  119.978  819.336  102.249  241.667   20.062  249.722   16.489 -8.055161 25.96902 
1 1 1   24   -5   12 o  150.845   13.201  295.394   49.226  275.852   80.287  307.164   62.312  140.012   23.816  152.164   16.672 -12.15250 29.07118 
1 1 1   24   -5   13 o   74.813   19.120   77.664   35.854   20.975   62.627  105.301   43.729   59.505   24.968   86.727   20.513 -27.22212 32.31363 
1 1 1   24   -5   14 o  100.002   22.974  143.183   56.166  377.948  185.565  119.506   58.930  139.848   45.946   90.374   25.177 49.47418 52.39216 
1 1 1   24   -5   15 o   79.627   24.424   91.812   53.191 -35.7731  185.158  103.289   55.532   79.511   37.231   84.018   24.777 -4.506516 44.72216 
1 1 1   24   -5   16 o   86.359   24.524  110.264   55.359  256.996  194.187   97.284   57.756  113.054   45.284   81.191   25.541 31.86292 51.99018 
1 1 1   24   -5   17 o  164.930   20.410  380.356   82.265  546.652  216.107  352.174   88.963  156.681   49.422  155.979   23.575 0.7024994 54.75671 
1 1 1   24   -5   18 o  110.110   24.340  181.601   65.146  191.738  207.603  180.494   68.612   99.507   43.627  108.739   25.678 -9.231209 50.62321 
1 1 1   24   -5   19 o   64.296   24.308   54.438   53.446  245.335  214.709   41.828   55.183  102.732   44.720   60.769   24.207 41.96300 50.85180 
1 1 1   24   -4    0 o  345.987   19.000  1548.63  163.533  1382.97  219.285  1756.19  245.464  320.744   27.648  361.914   27.362 -41.17081 38.89860 
1 1 1   24   -4    1 o  122.700   34.586  216.235  110.531   0.0000   0.0000  216.235  110.531  ?   ?   122.700   34.586 0.000000 34.58604 
1 1 1   24   -4    2 o   69.267   25.494   53.590   58.008   53.590   58.008   0.0000   0.0000   69.267   25.494  ?   ?  0.000000 25.49375 
1 1 1   24   -4    3 o  138.868   19.189  254.051   64.764  252.030   79.488  258.042  111.703  136.297   24.243  133.763   33.511 2.533356 41.36055 
1 1 1   24   -4    4 o   61.727   23.579   37.666   50.618   36.282   58.323   41.892  101.896   63.841   25.058   77.915   32.200 -14.07457 40.80147 
1 1 1   24   -4    5 o   79.020   24.230   84.152   52.356  140.450   62.623 -46.5792   95.428  100.638   25.024   61.009   27.912 39.62906 37.48726 
1 1 1   24   -4    6 o  179.981   16.055  420.043   71.401  393.424   87.622  472.654  123.183  172.000   20.824  184.812   27.532 -12.81194 34.52019 
1 1 1   24   -4    7 o   96.559   16.340  123.371   37.995   88.055   61.155  145.573   48.488   80.866   26.367  104.030   19.378 -23.16329 32.72233 
1 1 1   24   -4    8 o   41.564   17.356   6.0794   30.043   25.528   54.625  -2.3550   35.973   58.962   23.876   42.399   18.381 16.56268 30.13143 
1 1 1   24   -4    9 o   90.790   16.837  110.184   36.767  101.863   62.159  114.661   45.600   85.420   26.436   91.452   20.477 -6.032211 33.43922 
1 1 1   24   -4   10 o  131.106   13.504  222.800   43.580  221.914   70.823  223.339   55.286  126.552   23.268  129.692   17.519 -3.139671 29.12573 
1 1 1   24   -4   11 o  101.901   15.923  137.839   39.192  148.604   66.250  132.044   48.611  101.708   25.988   97.918   20.536 3.789894 33.12277 
1 1 1   24   -4   12 o  138.443   13.432  248.918   45.852  210.234   75.270  271.742   57.817  121.203   25.668  143.378   16.446 -22.17564 30.48444 
1 1 1   24   -4   13 o   40.133   17.062   3.0315   29.877   45.760   51.632 -18.4780   36.633   63.381   23.909   38.357   17.450 25.02313 29.59954 
1 1 1   24   -4   14 o  112.693   14.228  167.066   39.147  164.437   65.385  168.536   48.875  106.655   24.987  111.486   18.182 -4.830742 30.90246 
1 1 1   24   -4   15 o  123.280   13.857  199.434   41.920  147.638   69.260  229.378   52.661   99.578   27.120  131.075   16.451 -31.49765 31.71924 
1 1 1   24   -4   16 o  116.155   17.079  182.310   48.059  324.306  186.068  172.160   49.747  127.815   45.856  112.157   18.400 15.65816 49.41034 
1 1 1   24   -4   17 o   83.436   24.869  102.656   55.713   65.561  198.513  105.827   58.046   89.722   40.742   84.492   25.430 5.229401 48.02682 
1 1 1   24   -4   18 o  182.091   20.138  461.000   90.038  560.280  220.505  441.135   98.635  158.478   49.915  175.408   23.078 -16.92937 54.99166 
1 1 1   24   -4   19 o   63.646   24.063   51.313   52.375  102.294  203.988   47.715   54.192   90.352   41.132   62.866   24.299 27.48655 47.77381 
1 1 1   24   -4   20 o   70.518   24.753   72.338   53.946 -50.5971  213.462   80.725   55.756   77.318   37.248   73.580   25.200 3.737587 44.97169 
1 1 1   24   -3    0 o   72.827   18.479   70.737   33.661   77.815   56.448   66.831   41.933   77.677   25.333   71.357   21.645 6.320419 33.32060 
1 1 1   24   -3    1 o  105.316   17.043  145.356   43.289  178.149   63.408  116.728   59.245  115.012   22.883   92.561   25.030 22.45106 33.91324 
1 1 1   24   -3    2 o  195.015   12.143  483.042   58.843  461.104   88.972  500.098   78.450  188.143   19.206  197.206   16.070 -9.063049 25.04252 
1 1 1   24   -3    3 o  176.631   12.507  397.233   54.808  441.249   84.398  365.133   72.074  184.130   18.611  167.762   17.460 16.36797 25.51877 
1 1 1   24   -3    4 o  151.822   12.757  294.424   47.917  294.326   74.273  294.493   62.714  149.240   20.469  150.560   16.977 -1.319458 26.59268 
1 1 1   24   -3    5 o  150.143   12.911  288.378   47.936  302.991   75.693  278.594   61.940  151.264   20.572  146.177   17.304 5.086502 26.88240 
1 1 1   24   -3    6 o   47.988   20.866  -3.9835   46.638  -2.4816   54.180  -8.2799   91.638   52.012   22.553   65.614   28.871 -13.60241 36.63531 
1 1 1   24   -3    7 o  135.448   19.159  242.969   62.995  229.401   78.111  268.212  106.545  129.019   25.148  136.343   31.866 -7.324005 40.59347 
1 1 1   24   -3    8 o  121.102   20.503  197.172   59.791  198.925   74.033  193.884  101.393  119.502   25.581  114.944   33.361 4.557991 42.03975 
1 1 1   24   -3    9 o  190.049   17.201  472.135   80.747  415.098  104.976  554.782  126.363  173.972   24.871  200.855   25.789 -26.88341 35.82830 
1 1 1   24   -3   10 o   44.686   19.848 -11.3636   44.310 -29.5400   52.335   34.652   83.271   45.111   20.650   70.230   29.073 -25.11913 35.66084 
1 1 1   24   -3   11 o   95.104   16.110  120.223   36.894  156.513   61.946  100.274   45.928  105.596   24.032   85.063   21.586 20.53294 32.30297 
1 1 1   24   -3   12 o  109.222   14.732  156.630   39.156  119.911   64.693  177.858   49.190   91.480   26.676  115.362   17.635 -23.88174 31.97815 
1 1 1   24   -3   13 o   78.574   17.718   84.135   33.936   51.499   57.859  101.249   41.899   67.007   25.302   85.607   19.966 -18.60029 32.23066 
1 1 1   24   -3   14 o   50.326   18.610   27.885   30.972   40.612   54.589   21.844   37.612   62.598   24.334   50.579   20.037 12.01893 31.52188 
1 1 1   24   -3   15 o   97.407   15.474  126.496   36.381  115.185   60.597  132.871   45.493   89.089   25.771   98.328   19.216 -9.238861 32.14705 
1 1 1   24   -3   16 o   31.632   14.701 -22.4175   28.001 -16.9712   51.533 -24.6992   33.355   46.507   20.972   34.798   16.128 11.70881 26.45646 
1 1 1   24   -3   17 o  140.161   12.944  256.169   44.794  286.564   73.911  238.524   56.315  143.479   21.273  133.003   17.370 10.47495 27.46419 
1 1 1   24   -3   18 o  119.067   13.938  187.246   40.659  193.375   69.398  184.042   50.171  114.681   24.943  116.069   17.884 -1.388023 30.69200 
1 1 1   24   -3   19 o  134.480   21.684  256.902   70.344  340.923  207.809  246.029   74.757  123.136   47.587  129.899   23.928 -6.762901 53.26410 
1 1 1   24   -3   20 o  100.403   24.427  151.487   60.661  185.954  212.672  148.434   63.290   99.486   43.870   98.641   25.505 0.8454132 50.74525 
1 1 1   24   -2    0 o  449.552   17.300  2584.16  194.207  3091.65  369.480  2390.42  228.285  478.560   31.086  429.793   21.270 48.76758 37.66628 
1 1 1   24   -2    1 f  153.056   12.564  298.220   47.597  293.299   72.526  301.942   63.082  149.657   19.900  152.880   16.801 -3.222931 26.04351 
1 1 1   24   -2    2 o  235.244   12.182  701.517   71.319  674.073  105.715  724.441   96.618  228.270   18.710  237.643   16.381 -9.373352 24.86771 
1 1 1   24   -2    3 o  238.691   12.121  722.390   72.011  749.190  107.037  700.229   97.332  240.947   17.918  233.353   16.816 7.593262 24.57233 
1 1 1   24   -2    4 o  239.673   12.207  728.897   72.816  751.089  108.907  710.956   97.921  240.969   18.234  235.028   16.795 5.940201 24.78965 
1 1 1   24   -2    5 o  255.980   12.129  829.805   77.531  843.957  115.812  818.311  104.369  255.294   18.287  252.128   16.671 3.165833 24.74552 
1 1 1   24   -2    6 o  123.326   13.829  195.867   41.855  215.534   68.195  183.981   53.016  126.578   22.394  118.045   18.601 8.533585 29.11121 
1 1 1   24   -2    7 o  138.834   13.228  247.292   45.305  207.633   71.490  273.908   58.567  123.354   24.073  145.163   16.447 -21.80933 29.15439 
1 1 1   24   -2    8 o  222.633   12.026  630.880   66.611  651.891  101.076  614.750   88.563  223.595   18.262  217.995   16.389 5.599915 24.53730 
1 1 1   24   -2    9 o   93.470   16.249  115.536   36.551   84.148   59.927  134.130   46.123   79.512   26.110   99.929   19.181 -20.41667 32.39795 
1 1 1   24   -2   10 o  141.235   14.112  257.892   49.107  256.300   83.699  258.727   60.640  135.798   25.621  140.118   17.727 -4.319687 31.15606 
1 1 1   24   -2   11 o   53.527   21.843   18.446   46.139   33.317   55.150 -16.2406   84.229   61.327   24.272   60.955   27.201 0.3722343 36.45615 
1 1 1   24   -2   12 o  107.075   21.342  157.365   55.063  147.981   69.460  173.237   90.331  101.610   26.938  108.171   31.516 -6.560051 41.45946 
1 1 1   24   -2   13 o  127.996   19.331  220.654   59.864  189.193   77.204  268.088   94.799  114.429   27.384  135.863   28.834 -21.43455 39.76516 
1 1 1   24   -2   14 o  245.297   11.895  769.354   72.865  762.295  113.378  774.321   95.107  239.125   19.147  243.521   15.724 -4.395782 24.77615 
1 1 1   24   -2   15 o  126.533   13.471  208.497   41.912  181.223   69.737  223.918   52.439  112.280   25.459  129.875   16.545 -17.59464 30.36214 
1 1 1   24   -2   16 o   49.914   18.337   27.916   29.992   66.328   53.419   10.234   36.243   70.756   24.643   45.939   19.112 24.81725 31.18581 
1 1 1   24   -2   17 o  144.434   12.797  270.971   45.678  238.948   75.417  289.523   57.404  129.400   24.230  147.883   15.788 -18.48373 28.91990 
1 1 1   24   -2   18 o   56.094   19.057   40.561   31.881   3.0350   55.164   59.381   39.066   52.243   22.705   65.823   21.040 -13.57978 30.95425 
1 1 1   24   -2   19 o  165.595   12.386  356.442   50.850  387.678   84.354  338.612   63.731  167.178   20.644  159.147   16.265 8.031342 26.28167 
1 1 1   24   -2   20 o   75.567   18.831   80.510   35.407   37.821   62.214  100.961   43.060   62.487   25.416   83.949   20.677 -21.46236 32.76429 
1 1 1   24   -2   21 o   40.031   17.850  -7.9685   36.195   65.030  205.807 -10.2984   36.768   87.285   40.316   39.770   17.843 47.51506 44.08804 
1 1 1   24   -1    0 o  219.203   18.179  618.905   98.611  618.905   98.611   0.0000   0.0000  219.203   18.179  ?   ?  0.000000 18.17876 
1 1 1   24   -1    1 o  208.518   11.780  550.441   61.086  479.314   90.529  609.899   82.770  192.351   19.099  218.535   15.263 -26.18423 24.44888 
1 1 1   24   -1    2 o  329.820   13.286  1377.45  109.428  1311.27  158.641  1437.53  151.141  318.406   20.054  334.462   18.164 -16.05554 27.05769 
1 1 1   24   -1    3 f  137.725   12.952  242.154   44.021  206.327   67.608  268.523   58.002  124.228   22.627  144.184   16.401 -19.95617 27.94586 
1 1 1   24   -1    4 o  143.921   13.186  264.591   46.863  264.078   72.452  264.960   61.447  141.350   21.178  142.789   17.606 -1.439484 27.54035 
1 1 1   24   -1    5 o  186.162   11.968  440.032   55.340  419.082   84.154  455.994   73.458  179.378   19.080  188.393   15.759 -9.015671 24.74643 
1 1 1   24   -1    6 o   36.309   15.944  -6.1938   27.820   12.553   49.993 -14.6027   33.483   54.116   22.475   37.823   16.994 16.29291 28.17691 
1 1 1   24   -1    7 o   97.289   15.646  123.875   36.723  149.268   60.752  109.254   46.099  104.518   23.808   89.903   20.926 14.61436 31.69736 
1 1 1   24   -1    8 o  208.875   12.228  555.180   63.502  483.224   95.630  611.936   84.931  191.659   20.289  218.028   15.704 -26.36876 25.65706 
1 1 1   24   -1    9 f  262.907   12.018  877.121   78.904  919.377  118.580  843.547  105.700  266.009   17.956  255.453   16.661 10.55664 24.49511 
1 1 1   24   -1   10 o  338.186   13.093  1457.64  110.576  1514.93  162.796  1408.57  150.662  340.320   19.235  328.737   18.427 11.58304 26.63722 
1 1 1   24   -1   11 o  119.646   13.682  185.266   40.144  194.512   64.696  179.478   51.191  119.311   22.541  116.194   18.244 3.116753 28.99832 
1 1 1   24   -1   12 o   64.264   18.674   55.335   31.752  105.543   55.112   30.390   38.847   87.000   24.387   54.659   20.710 32.34117 31.99370 
1 1 1   24   -1   13 o  303.789   12.885  1180.78   97.749  1098.21  147.195  1245.91  130.740  286.977   20.678  308.892   17.015 -21.91534 26.77862 
1 1 1   24   -1   14 f  201.719   16.774  533.873   83.728  497.886  111.075  581.231  127.420  190.159   23.920  204.360   25.525 -14.20062 34.98160 
1 1 1   24   -1   15 o  107.863   20.331  159.475   52.753  164.064   68.882  152.965   82.041  106.760   26.064  101.526   30.160 5.234154 39.86187 
1 1 1   24   -1   16 o  107.269   20.588  158.635   53.143  115.473   68.652  223.168   83.944   89.282   27.808  123.473   27.884 -34.19019 39.38017 
1 1 1   24   -1   17 o  125.224   13.459  204.553   41.428  173.076   68.317  222.859   52.100  109.376   25.485  129.437   16.493 -20.06135 30.35648 
1 1 1   24   -1   18 o  191.591   12.152  473.664   57.838  428.734   93.257  501.749   73.730  176.236   21.645  195.441   15.227 -19.20470 26.46490 
1 1 1   24   -1   19 o  164.221   12.366  349.624   50.340  295.320   82.432  381.920   63.570  144.024   23.748  170.165   15.118 -26.14098 28.15119 
1 1 1   24   -1   20 o   57.950   19.179   44.615   32.313   89.361   57.556   24.021   39.047   78.463   25.580   51.373   20.395 27.08957 32.71500 
1 1 1   24   -1   21 o   80.713   18.696   91.586   36.942  106.488   66.480   84.928   44.434   83.876   27.498   76.614   22.041 7.261719 35.24157 
1 1 1   24   -1   22 f   51.251   21.176   19.247   44.057   16.220   58.451   23.229   67.040   55.590   23.754   59.843   25.502 -4.253101 34.85178 
1 1 1   24    0    0 o  157.112   11.960  313.148   46.573  360.750   70.758  276.763   61.863  167.376   17.172  146.364   17.257 21.01129 24.34551 
1 1 1   24    0    1 o  109.075   14.210  153.184   37.785  148.940   58.797  156.170   49.316  105.276   23.008  108.988   18.799 -3.712135 29.71158 
1 1 1   24    0    2 o  361.696   13.348  1655.57  120.564  1554.89  173.900  1748.75  167.298  347.045   20.153  369.659   18.123 -22.61441 27.10342 
1 1 1   24    0    3 o  251.806   12.389  801.207   77.905  708.815  114.501  880.844  106.303  233.945   19.785  262.415   16.303 -28.46951 25.63636 
1 1 1   24    0    4 o  184.767   12.141  433.144   55.707  363.592   83.093  489.928   75.079  166.749   20.379  195.612   15.497 -28.86342 25.60188 
1 1 1   24    0    5 o  105.087   14.673  142.945   37.454  139.604   60.574  145.012   47.656  101.331   24.260  104.719   18.920 -3.387939 30.76564 
1 1 1   24    0    6 o  167.892   12.970  359.220   53.956  302.344   81.739  403.141   71.829  150.893   22.370  176.872   16.451 -25.97914 27.76797 
1 1 1   24    0    7 o  149.115   12.688  283.733   46.797  231.074   71.962  322.320   61.600  131.273   22.778  158.103   15.815 -26.82968 27.72971 
1 1 1   24    0    8 o  207.028   12.109  544.669   62.330  512.888   94.660  568.995   82.819  198.198   19.373  210.315   15.886 -12.11696 25.05399 
1 1 1   24    0    9 o  248.225   11.706  780.396   72.563  774.935  108.035  784.885   97.945  244.504   17.817  246.966   15.967 -2.461838 23.92454 
1 1 1   24    0   10 o  183.073   11.781  426.653   53.572  440.987   82.892  416.371   70.204  183.705   18.313  179.473   15.826 4.232727 24.20440 
1 1 1   24    0   11 o   95.404   15.510  119.652   35.683   90.812   57.899  137.315   45.311   81.831   25.545  101.372   18.584 -19.54156 31.58998 
1 1 1   24    0   12 o  435.683   14.682  2436.07  159.738  2548.15  233.063  2336.78  219.367  439.123   21.254  420.932   20.869 18.19086 29.78679 
1 1 1   24    0   13 o  181.592   11.803  421.341   53.233  421.379   83.648  421.315   69.013  178.407   19.071  180.122   15.494 -1.715271 24.57152 
1 1 1   24    0   14 o  180.933   11.893  419.004   53.436  437.622   84.508  406.601   68.976  181.634   18.909  176.584   15.809 5.050049 24.64708 
1 1 1   24    0   15 o   92.021   16.142  112.903   35.741  139.207   61.331   99.377   43.980   99.035   24.842   84.742   20.911 14.29233 32.47175 
1 1 1   24    0   16 o  175.516   12.061  395.772   52.542  342.599   83.820  430.188   67.435  158.332   21.776  181.659   15.000 -23.32735 26.44197 
1 1 1   24    0   17 o  242.538   16.586  773.461   99.850  658.054  135.963  908.570  147.112  216.252   25.679  257.002   23.172 -40.74997 34.58827 
1 1 1   24    0   18 o  168.376   16.427  374.931   68.192  275.391   90.978  502.557  103.016  137.387   27.478  191.193   21.976 -53.80605 35.18500 
1 1 1   24    0   19 o  172.532   12.600  385.387   53.910  277.900   86.905  452.624   68.733  138.502   26.084  185.743   14.945 -47.24030 30.06172 
1 1 1   24    0   20 o   56.341   19.005   41.147   31.706   78.305   56.362   23.944   38.349   74.803   25.338   51.259   20.255 23.54354 32.43939 
1 1 1   24    0   21 o  174.339   15.739  404.221   67.782   0.0000   0.0000  404.221   67.782  ?   ?   174.339   15.739 0.000000 15.73912 
1 1 1   24    0   22 o  119.772   25.026  212.773   72.439  212.773   72.439   0.0000   0.0000  119.772   25.026  ?   ?  0.000000 25.02602 
1 1 1   24    0   23 o   63.203   19.392   56.120   33.530   44.443   59.999   61.424   40.433   63.201   25.221   65.926   21.437 -2.725132 33.10065 
1 1 1   24    1    0 o  363.664   14.039  1674.01  127.495  1590.61  182.255  1753.92  178.417  351.050   20.884  369.500   19.404 -18.45020 28.50754 
1 1 1   24    1    1 o  217.313   11.549  596.863   62.449  562.930   91.998  625.860   85.044  209.297   17.770  221.499   15.472 -12.20218 23.56212 
1 1 1   24    1    2 o  211.393   11.974  565.512   62.951  531.034   92.556  595.190   85.871  202.959   18.464  215.761   16.053 -12.80156 24.46618 
1 1 1   24    1    3 o  236.501   11.971  707.586   70.471  604.199  103.718  796.243   96.045  216.160   19.422  249.855   15.470 -33.69492 24.82963 
1 1 1   24    1    4 o  179.075   12.149  406.747   54.006  357.059   80.977  446.553   72.479  165.487   20.001  186.730   15.689 -21.24341 25.41988 
1 1 1   24    1    5 o  177.648   11.607  399.932   51.210  381.925   78.072  413.530   67.843  171.646   18.507  179.709   15.262 -8.062607 23.98832 
1 1 1   24    1    6 o  178.888   12.071  406.194   53.606  394.569   80.580  415.422   71.798  174.285   18.813  179.771   16.166 -5.486191 24.80483 
1 1 1   24    1    7 o  112.562   14.221  163.408   39.083  135.215   61.463  182.546   50.640   99.530   24.815  118.103   17.717 -18.57340 30.49055 
1 1 1   24    1    8 o  239.867   12.167  730.034   72.644  743.758  107.993  718.692   98.175  239.802   18.169  236.321   16.744 3.480972 24.70799 
1 1 1   24    1    9 o   99.442   14.785  128.671   35.599  156.321   56.962  110.951   45.601  107.630   21.938   90.710   20.601 16.91972 30.09409 
1 1 1   24    1   10 o  244.978   11.599  759.878   70.956  831.402  107.227  704.159   94.642  253.709   17.023  233.724   16.318 19.98463 23.58099 
1 1 1   24    1   11 o   83.573   16.483   92.742   33.178   87.066   55.855   95.836   41.241   80.470   25.086   84.164   19.930 -3.694000 32.03923 
1 1 1   24    1   12 o  119.778   13.581  185.275   39.904  165.272   63.597  198.264   51.247  109.482   23.930  122.793   17.183 -13.31073 29.46028 
1 1 1   24    1   13 o  129.553   13.015  216.149   41.537  184.787   66.267  236.445   53.309  115.735   23.726  134.480   16.200 -18.74583 28.72911 
1 1 1   24    1   14 o   96.486   15.097  122.485   35.182  181.868   58.720   89.230   43.943  115.657   21.109   80.558   21.459 35.09958 30.10120 
1 1 1   24    1   15 o  148.808   12.606  284.889   46.404  256.006   73.973  303.630   59.586  136.768   22.437  152.373   15.894 -15.60481 27.49614 
1 1 1   24    1   16 o   84.171   16.752   95.276   33.973  104.307   57.337   90.389   42.173   85.971   25.126   80.856   20.775 5.115196 32.60269 
1 1 1   24    1   17 o  180.772   11.990  419.600   53.817  378.496   85.696  446.368   69.154  166.990   21.016  185.008   15.100 -18.01752 25.87811 
1 1 1   24    1   18 o  131.821   13.121  225.602   42.618  261.132   70.710  205.331   53.410  137.988   21.199  123.751   17.795 14.23705 27.67745 
1 1 1   24    1   19 o  180.349   12.176  419.231   54.515  338.660   87.882  469.626   69.503  155.694   23.321  189.545   14.801 -33.85107 27.62192 
1 1 1   24    1   20 o   55.096   21.466   30.062   42.550   35.716   56.099   22.403   65.291   61.201   24.399   60.633   25.470 0.5675125 35.27056 
1 1 1   24    1   21 o   79.238   23.127   90.094   48.605   91.200   65.097   88.701   73.069   79.773   27.230   79.566   28.714 0.2062759 39.57218 
1 1 1   24    1   22 o  129.848   13.447  221.548   42.969  234.581   73.386  214.750   53.005  127.299   23.965  125.825   17.329 1.473930 29.57378 
1 1 1   24    1   23 o   54.041   18.965   37.148   31.666   9.0801   56.780   49.818   38.150   53.654   23.176   60.936   20.845 -7.281845 31.17131 
1 1 1   24    1   24 o   96.325   16.112  126.950   37.388  108.767   65.138  135.884   45.658   83.842   27.206   97.956   19.352 -14.11388 33.38679 
1 1 1   24    2    0 o  172.074   12.064  375.121   51.512  327.280   76.364  415.064   69.778  158.716   19.690  180.188   15.663 -21.47202 25.16032 
1 1 1   24    2    1 o  138.959   12.633  245.676   43.359  204.150   65.285  278.449   57.998  124.192   21.849  147.218   16.036 -23.02610 27.10164 
1 1 1   24    2    2 o   88.316   15.826  101.943   33.621  109.068   55.042   97.703   42.462   90.073   24.028   85.593   20.193 4.480469 31.38589 
1 1 1   24    2    3 o  200.376   11.875  508.102   59.154  464.719   87.140  545.180   80.560  189.734   18.632  206.565   15.736 -16.83096 24.38794 
1 1 1   24    2    4 o   98.853   16.246  127.447   38.709  105.543   58.961  144.041   51.318   88.662   25.355  104.137   20.464 -15.47512 32.58271 
1 1 1   24    2    5 o  144.097   13.478  265.050   47.935  306.137   70.123  229.009   65.676  153.512   18.677  131.885   20.617 21.62721 27.81875 
1 1 1   24    2    6 o   74.811   18.886   74.590   35.287   17.934   57.618  108.593   44.637   59.040   24.287   90.101   20.323 -31.06066 31.66809 
1 1 1   24    2    7 o  177.646   13.348  402.026   58.781  356.766   79.471  456.698   87.344  165.359   19.629  187.617   18.900 -22.25781 27.24910 
1 1 1   24    2    8 o  145.096   13.894  269.614   49.726  187.640   69.283  356.701   71.411  117.632   24.386  165.968   17.494 -48.33620 30.01209 
1 1 1   24    2    9 o  125.756   13.131  202.676   40.627  197.819   62.456  206.240   53.492  121.769   21.316  125.644   17.526 -3.874596 27.59569 
1 1 1   24    2   10 o  183.565   11.873  428.262   54.132  460.301   82.287  403.818   71.874  188.370   17.701  176.791   16.470 11.57863 24.17791 
1 1 1   24    2   11 o  167.093   12.300  355.961   50.962  337.653   78.304  369.413   67.123  160.026   20.034  169.020   16.097 -8.994125 25.70001 
1 1 1   24    2   12 o   59.945   18.218   46.982   29.685   60.486   51.203   40.146   36.433   69.792   24.137   58.138   20.345 11.65486 31.56770 
1 1 1   24    2   13 o  144.242   12.321  266.365   43.955  278.878   69.167  257.889   56.929  144.990   19.606  140.539   16.538 4.450562 25.64945 
1 1 1   24    2   14 o   89.858   15.986  106.975   34.557  121.119   58.097   99.231   42.988   93.186   24.604   85.250   20.455 7.936035 31.99566 
1 1 1   24    2   15 o  184.967   12.019  437.534   55.213  422.954   85.600  447.921   72.253  178.458   19.527  185.617   15.736 -7.158707 25.07821 
1 1 1   24    2   16 o  109.511   14.168  156.544   37.838  166.353   62.591  150.895   47.500  109.164   23.645  105.875   18.647 3.288727 30.11282 
1 1 1   24    2   17 o  293.034   12.809  1100.28   93.728  1008.77  141.220  1172.33  125.305  274.313   20.770  299.302   16.834 -24.98953 26.73482 
1 1 1   24    2   18 f  148.821   12.431  285.582   45.775  272.494   73.965  293.707   58.277  140.965   21.709  149.492   15.853 -8.527084 26.88070 
1 1 1   24    2   19 o   86.313   16.506  100.373   34.281   89.041   58.996  106.150   42.122   79.751   25.893   87.661   19.720 -7.910080 32.54686 
1 1 1   24    2   20 o   95.348   16.286  122.052   37.384   95.083   70.543  132.584   44.084   82.199   28.336   98.502   18.604 -16.30342 33.89734 
1 1 1   24    2   21 o  121.934   23.697  211.873   69.555  211.873   69.555   0.0000   0.0000  121.934   23.697  ?   ?  0.000000 23.69678 
1 1 1   24    2   22 o   68.961   22.726   65.600   45.384   53.841   61.021   80.155   67.891   67.370   25.853   76.402   27.662 -9.032387 37.86197 
1 1 1   24    2   23 o   92.345   21.807  122.576   49.484  101.705   68.068  145.971   72.065   82.694   27.846   97.417   28.083 -14.72272 39.54803 
1 1 1   24    2   24 o  135.047   13.655  240.906   45.418  209.790   76.419  257.899   56.474  117.416   26.670  137.949   16.737 -20.53355 31.48678 
1 1 1   24    3    0 o  306.277   13.983  1186.43  106.945  1153.09  152.977  1218.30  149.567  299.062   20.610  307.917   19.553 -8.854645 28.40905 
1 1 1   24    3    1 o  108.406   18.137  153.732   47.363  430.838  132.736  113.304   50.700  178.018   30.984   91.967   22.305 86.05148 38.17814 
1 1 1   24    3    2 o  196.952   16.877  497.102   82.205  458.908  152.985  512.606   97.472  181.873   34.954  199.054   19.875 -17.18132 40.20967 
1 1 1   24    3    3 o  106.596   18.869  149.379   48.388  181.023  128.905  144.189   52.206  115.612   38.310  104.196   20.793 11.41607 43.58862 
1 1 1   24    3    4 o  316.464   19.687  1289.53  154.807  1088.41  240.675  1431.46  202.181  281.640   34.973  330.698   24.660 -49.05832 42.79304 
1 1 1   24    3    5 o  110.598   19.221  161.022   51.159   62.032  129.619  179.288   55.679   90.119   36.674  116.673   19.820 -26.55365 41.68699 
1 1 1   24    3    6 o   66.722   20.661   57.453   37.963   90.374  123.532   54.020   39.893   94.094   36.598   65.503   21.293 28.59150 42.34196 
1 1 1   24    3    7 o  211.654   17.467  576.513   91.495  496.198  168.279  610.222  109.018  186.738   37.391  216.651   20.390 -29.91209 42.58903 
1 1 1   24    3    8 o  110.195   19.337  160.494   51.271   98.750  131.204  171.622   55.700   96.726   37.691  113.732   20.359 -17.00661 42.83842 
1 1 1   24    3    9 o  171.826   17.357  381.916   73.455  343.292  151.821  393.721   83.932  152.841   39.494  173.635   19.706 -20.79417 44.13760 
1 1 1   24    3   10 o  186.001   17.247  447.397   79.195  458.450  159.099  443.756   91.311  178.165   36.971  184.078   20.196 -5.912323 42.12743 
1 1 1   24    3   11 o  146.360   17.650  279.299   63.209  318.318  147.142  270.469   69.996  146.065   39.424  143.099   20.146 2.965973 44.27284 
1 1 1   24    3   12 o  148.223   17.909  287.292   64.946  260.077  153.063  293.267   71.722  131.108   41.618  149.070   19.753 -17.96204 46.06816 
1 1 1   24    3   13 o  112.685   19.371  169.366   52.544  183.395  145.351  167.257   56.355  113.319   40.543  111.372   21.034 1.947258 45.67441 
1 1 1   24    3   14 o   93.839   17.150  117.102   38.706   71.896   58.752  151.769   51.450   75.029   25.860  106.102   20.155 -31.07223 32.78688 
1 1 1   24    3   15 o  167.918   12.147  360.676   50.590  393.863   80.172  338.719   65.212  172.698   18.899  161.108   16.440 11.59062 25.04824 
1 1 1   24    3   16 o  108.386   14.179  153.175   37.456  112.288   61.532  177.245   47.211   89.362   26.004  115.789   16.820 -26.42663 30.96949 
1 1 1   24    3   17 f  172.071   11.994  379.462   51.217  359.157   81.079  392.945   66.068  163.563   20.286  173.697   15.391 -10.13446 25.46375 
1 1 1   24    3   18 o  227.589   12.175  663.960   68.943  639.480  106.482  681.630   90.465  218.835   19.696  228.508   15.954 -9.673218 25.34702 
1 1 1   24    3   19 o   66.068   18.478   59.446   31.679   19.577   54.650   79.624   38.878   56.793   23.535   75.894   20.169 -19.10131 30.99507 
1 1 1   24    3   20 f   96.333   18.742  126.727   43.464   10.599  176.465  134.226   44.845   85.296   38.604   99.189   18.793 -13.89319 42.93570 
1 1 1   24    3   21 o  168.695   12.321  367.499   51.545  377.021   84.501  361.856   65.048  165.979   20.847  165.579   15.928 0.3994141 26.23584 
1 1 1   24    3   22 o  121.741   13.637  194.283   40.745  205.967   69.439  188.148   50.318  119.886   24.031  117.971   17.620 1.915581 29.79911 
1 1 1   24    3   23 o  130.052   13.248  221.485   42.423  240.111   72.681  211.860   52.247  129.646   23.306  125.257   17.154 4.389290 28.93897 
1 1 1   24    3   24 o   49.375   18.516   27.000   30.873   44.879   57.595   19.791   36.570   63.460   24.904   48.806   19.615 14.65456 31.70091 
1 1 1   24    3   25 o  172.514   16.681  402.145   70.963  337.426   98.166  472.980  102.700  148.892   27.412  181.105   23.245 -32.21284 35.94115 
1 1 1   24    4    0 o  685.532   31.850  6257.66  545.237  6526.92  783.545  6004.87  759.195  675.334   46.749  646.646   47.344 28.68884 66.53532 
1 1 1   24    4    1 o  243.189   17.276  756.497  104.230  720.194  177.566  775.581  128.743  230.977   31.615  244.767   21.275 -13.78934 38.10667 
1 1 1   24    4    2 o  195.308   16.313  487.910   78.832  563.845  150.556  459.227   92.530  204.489   30.409  188.317   19.982 16.17155 36.38637 
1 1 1   24    4    3 o  297.903   18.093  1136.56  133.963  1172.79  215.896  1113.88  170.826  296.613   29.541  292.362   23.599 4.250488 37.80968 
1 1 1   24    4    4 o  192.683   14.880  473.360   71.045  445.398  153.690  480.959   80.119  178.598   35.708  193.712   16.727 -15.11459 39.43175 
1 1 1   24    4    5 o  221.408   12.008  620.150   66.145  565.796   96.350  668.603   90.969  209.530   18.608  228.785   16.024 -19.25424 24.55644 
1 1 1   24    4    6 o  110.571   13.782  157.080   37.228  141.146   57.483  168.591   48.859  102.436   23.031  113.609   17.807 -11.17230 29.11235 
1 1 1   24    4    7 o  215.459   12.348  588.277   66.158  433.792   96.619  724.649   90.778  181.988   21.687  238.296   15.336 -56.30786 26.56214 
1 1 1   24    4    8 o  127.249   12.425  206.556   38.980  221.897   60.177  195.465   51.164  130.167   19.079  122.567   17.189 7.600533 25.68040 
1 1 1   24    4    9 o  244.283   12.019  754.179   73.321  616.797  106.948  876.016  100.715  217.840   19.879  261.812   15.473 -43.97295 25.19139 
1 1 1   24    4   10 o  190.610   12.436  461.766   58.870  334.933   87.244  567.791   79.767  158.827   22.637  210.548   15.275 -51.72163 27.30911 
1 1 1   24    4   11 o   58.404   18.275   43.757   29.612  -5.7171   50.356   69.910   36.612   49.623   21.628   72.311   19.727 -22.68768 29.27379 
1 1 1   24    4   12 o  215.830   14.134  595.727   75.759  745.422  176.051  561.707   83.927  231.755   31.214  208.766   16.226 22.98904 35.17958 
1 1 1   24    4   13 o   78.981   19.561   84.173   38.379  172.489  142.258   77.241   39.856  111.328   40.080   75.663   20.559 35.66457 45.04490 
1 1 1   24    4   14 o  174.469   17.163  396.429   73.810  496.676  162.711  370.456   82.822  183.387   36.810  167.274   20.239 16.11314 42.00681 
1 1 1   24    4   15 o  151.932   17.867  303.298   66.492  339.327  163.984  296.208   72.740  146.170   42.427  149.195   20.030 -3.025620 46.91767 
1 1 1   24    4   16 o  177.642   16.741  412.059   73.389  753.958  172.181  336.155   81.127  230.291   30.705  158.295   21.045 71.99664 37.22517 
1 1 1   24    4   17 o   89.502   21.569  110.624   47.639  149.143  160.697  106.913   49.881  105.075   41.482   87.723   22.623 17.35236 47.25005 
1 1 1   24    4   18 o  106.528   16.342  150.464   42.085  105.997   62.984  186.329   56.566   86.690   26.575  117.231   20.043 -30.54069 33.28582 
1 1 1   24    4   19 o   84.812   16.968   96.976   34.682  100.796   63.082   95.321   41.520   84.550   26.705   83.088   20.206 1.462471 33.48785 
1 1 1   24    4   20 o  135.470   21.724  252.395   71.006  252.395   71.006   0.0000   0.0000  135.470   21.724  ?   ?  0.000000 21.72373 
1 1 1   24    4   21 o   61.996   18.454   51.985   30.693   47.584   54.704   54.007   37.080   64.768   24.567   63.611   20.515 1.156326 32.00640 
1 1 1   24    4   22 o   58.884   18.524   46.296   30.381   89.110   55.301   27.790   36.359   79.221   25.002   52.131   19.967 27.09015 31.99680 
1 1 1   24    4   23 o   92.777   15.806  115.788   35.308  119.529   61.711  113.968   43.051   90.062   25.994   90.433   19.627 -0.3706589 32.57163 
1 1 1   24    4   24 o   66.456   18.677   61.418   32.283   93.101   58.001   47.197   38.859   79.939   25.645   60.301   21.017 19.63826 33.15706 
1 1 1   24    4   25 o  115.934   14.276  178.598   40.458  127.248   69.656  204.742   49.702   90.883   27.962  122.993   16.607 -32.10919 32.52149 
1 1 1   24    5    0 o  535.368   24.641  3720.51  329.428  4116.22  482.557  3375.13  450.825  551.416   35.228  497.705   36.528 53.71100 50.74795 
1 1 1   24    5    1 o  283.707   16.692  1026.65  117.736  1272.23  195.627  887.185  147.426  311.818   25.343  261.248   22.827 50.57010 34.10756 
1 1 1   24    5    2 o  111.699   16.410  161.729   44.409  235.119  120.657  150.229   47.762  129.619   35.995  107.049   18.538 22.57043 40.48837 
1 1 1   24    5    3 o  266.100   12.266  893.028   81.508  886.790  118.095  898.703  112.638  263.054   18.088  265.183   17.101 -2.128601 24.89167 
1 1 1   24    5    4 o  124.541   13.349  198.173   40.868  150.559   61.833  235.110   54.460  105.786   23.962  135.028   16.494 -29.24227 29.09031 
1 1 1   24    5    5 o  116.265   12.872  172.747   36.744  175.115   56.135  170.972   48.604  115.229   20.247  114.556   17.549 0.6732559 26.79415 
1 1 1   24    5    6 o   63.823   17.410   53.659   28.517   29.533   45.906   68.819   36.390   57.887   22.368   72.064   19.671 -14.17649 29.78677 
1 1 1   24    5    7 o  214.042   12.075  580.052   64.277  492.414   93.449  658.745   88.552  194.961   19.454  227.091   15.712 -32.13065 25.00651 
1 1 1   24    5    8 o  134.380   12.711  230.263   42.148  134.837   62.826  308.359   56.836   99.599   25.231  155.149   14.851 -55.55027 29.27750 
1 1 1   24    5    9 o  204.516   11.892  530.002   60.474  517.063   90.011  540.648   81.647  200.044   18.218  205.351   16.049 -5.306503 24.27930 
1 1 1   24    5   10 o  357.083   13.588  1617.35  121.164  1503.66  174.225  1723.83  168.617  340.319   20.598  365.782   18.520 -25.46320 27.69973 
1 1 1   24    5   11 o   74.254   17.082   73.370   31.016   20.547   50.334  105.706   39.381   56.583   22.917   89.140   18.304 -32.55690 29.32940 
1 1 1   24    5   12 o  111.781   13.199  160.719   36.132  172.950   57.928  152.931   46.226  113.625   21.196  107.738   17.804 5.886650 27.68064 
1 1 1   24    5   13 o  159.726   12.388  325.444   49.026  330.540   74.375  321.528   65.196  158.710   19.153  157.361   16.853 1.349487 25.51211 
1 1 1   24    5   14 o   97.636   15.064  124.629   35.547   76.241   57.162  155.141   45.391   76.609   25.517  108.460   17.343 -31.85117 30.85305 
1 1 1   24    5   15 o  242.826   11.778  748.427   71.422  775.376  107.964  727.455   95.239  244.025   17.841  237.197   16.175 6.827957 24.08190 
1 1 1   24    5   16 o  118.388   13.384  181.134   38.874  152.626   62.254  199.355   49.771  104.791   24.267  123.209   16.599 -18.41705 29.40118 
1 1 1   24    5   17 o   72.135   20.386   70.698   38.350   33.022  147.906   73.414   39.708   85.522   37.173   73.430   20.741 12.09199 42.56758 
1 1 1   24    5   18 o   39.986   17.176   0.0884   30.844 -72.0284  147.418   3.3900   31.542   72.435   33.686   41.472   17.577 30.96297 37.99595 
1 1 1   24    5   19 o   87.612   22.042  106.910   48.181  165.292  181.130  102.465   49.982  108.053   43.574   85.584   22.926 22.46874 49.23715 
1 1 1   24    5   20 o  118.191   20.142  190.280   57.316  219.387  179.228  186.964   60.493  115.900   44.347  116.444   21.599 -0.5432510 49.32686 
1 1 1   24    5   21 o  119.279   15.378  187.656   44.737  201.939   68.381  176.967   59.154  119.775   23.701  112.917   21.768 6.858543 32.18047 
1 1 1   24    5   22 o  188.247   12.173  456.476   56.919  468.886   91.115  448.534   72.892  186.175   19.907  184.581   15.971 1.593079 25.52183 
1 1 1   24    5   23 o   61.440   18.519   51.241   30.766   21.608   56.059   64.013   36.804   57.352   23.808   68.067   20.196 -10.71448 31.21994 
1 1 1   24    5   24 o  101.143   14.766  136.140   36.195  150.484   64.178  129.449   43.830  101.070   25.445   96.819   18.806 4.251160 31.64073 
1 1 1   24    5   25 o   59.589   18.732   48.284   31.070  123.853   56.664   15.795   37.154   91.676   24.343   47.775   19.560 43.90094 31.22788 
1 1 1   24    5   26 o   75.158   18.060   79.184   33.473   78.074   61.288   79.656   39.959   74.115   26.347   74.542   20.720 -0.4267960 33.51791 
1 1 1   24    6    0 o  195.892   17.105  491.801   82.835  337.180  147.015  563.723  100.267  154.237   38.336  209.079   19.426 -54.84172 42.97736 
1 1 1   24    6    1 o  332.897   15.047  1404.25  125.086  1723.91  234.660  1277.36  147.841  362.760   26.078  315.673   18.841 47.08783 32.17195 
1 1 1   24    6    2 o  225.137   11.901  640.510   66.668  603.334   96.650  674.255   92.081  216.814   18.014  229.878   16.143 -13.06438 24.18913 
1 1 1   24    6    3 o  265.088   11.605  885.280   76.819  920.154  111.723  854.009  105.796  268.479   16.748  258.709   16.462 9.769745 23.48330 
1 1 1   24    6    4 o  195.281   11.431  481.958   55.503  473.872   81.285  489.022   75.969  192.201   17.115  195.685   15.678 -3.483337 23.21036 
1 1 1   24    6    5 o  264.971   11.623  884.839   76.907  946.432  111.683  829.291  106.061  272.290   16.503  254.729   16.767 17.56078 23.52623 
1 1 1   24    6    6 o  175.224   12.210  389.244   53.091  341.356   77.956  430.669   72.505  162.044   19.668  183.401   15.991 -21.35715 25.34860 
1 1 1   24    6    7 o  151.176   11.953  290.092   44.755  259.765   67.029  314.490   60.121  141.044   19.557  156.583   15.582 -15.53801 25.00572 
1 1 1   24    6    8 o  218.815   11.700  605.744   63.701  620.633   93.792  592.995   86.789  219.846   17.222  215.188   16.271 4.657715 23.69278 
1 1 1   24    6    9 o  129.371   12.310  213.334   39.289  237.195   61.286  196.686   51.192  134.788   18.713  122.983   17.134 11.80486 25.37231 
1 1 1   24    6   10 o  163.180   12.202  338.418   49.361  321.264   74.253  352.001   66.074  156.893   19.363  165.356   16.210 -8.463013 25.25248 
1 1 1   24    6   11 o   94.154   15.210  115.624   34.542   97.670   54.529  127.656   44.641   85.091   24.399   98.050   18.918 -12.95905 30.87348 
1 1 1   24    6   12 o  131.399   12.582  220.676   40.782  240.157   63.505  207.004   53.202  135.111   19.377  125.909   17.384 9.202438 26.03209 
1 1 1   24    6   13 o  215.242   12.106  588.679   64.803  476.980   95.745  683.101   88.030  190.573   20.438  230.726   15.367 -40.15324 25.57034 
1 1 1   24    6   14 f  133.776   12.579  229.110   41.529  167.649   63.797  274.305   54.707  110.711   23.785  145.685   15.264 -34.97434 28.26172 
1 1 1   24    6   15 o  253.922   12.399  819.229   78.624  744.532  117.002  880.733  106.167  238.159   19.854  261.149   16.362 -22.98987 25.72778 
1 1 1   24    6   16 o  212.841   11.846  577.101   62.710  601.954   96.004  558.606   82.820  214.613   18.082  207.658   16.097 6.955521 24.20891 
1 1 1   24    6   17 o   57.500   18.139   42.863   29.110   20.474   51.319   53.484   35.346   56.345   23.019   63.770   19.968 -7.424442 30.47326 
1 1 1   24    6   18 o  109.002   14.329  155.036   38.059  104.062   63.273  183.934   47.640   86.350   26.663  118.063   16.619 -31.71245 31.41858 
1 1 1   24    6   19 o   39.010   18.048 -30.1444   41.494 -28.5606   47.722 -35.0528   84.010   42.809   19.642   57.673   26.310 -14.86401 32.83298 
1 1 1   24    6   20 o  121.393   13.421  191.409   40.003  155.201   67.718  210.817   49.578  104.026   26.109  126.460   16.062 -22.43435 30.65372 
1 1 1   24    6   21 o  140.340   15.153  258.078   52.263  422.951  191.443  244.801   54.327  153.928   46.151  136.148   16.303 17.78061 48.94558 
1 1 1   24    6   22 o  119.040   20.021  193.668   57.402  193.602  184.621  193.675   60.396  110.278   44.160  118.453   21.196 -8.175713 48.98377 
1 1 1   24    6   23 o   70.084   22.132   67.521   43.329   65.813  184.634   67.620   44.574   91.824   40.664   70.218   22.477 21.60548 46.46215 
1 1 1   24    6   24 o   73.827   19.156   75.856   35.620   98.740   58.485   62.362   44.911   82.606   25.656   67.821   22.619 14.78480 34.20321 
1 1 1   24    6   25 o   85.678   16.481   99.962   33.981  103.868   59.893   98.108   41.265   84.021   25.941   83.447   20.052 0.5747833 32.78759 
1 1 1   24    6   26 o   55.909   18.480   41.427   30.003   93.252   56.761   21.333   35.344   79.650   25.350   48.855   19.401 30.79518 31.92238 
1 1 1   24    7    0 o  344.054   18.128  1514.16  155.196  1752.42  241.599  1346.77  202.501  365.265   26.672  320.690   25.497 44.57449 36.89819 
1 1 1   24    7    1 o  184.393   11.353  429.733   52.022  373.004   76.144  479.395   71.242  170.077   18.211  193.998   14.818 -23.92152 23.47815 
1 1 1   24    7    2 o  389.312   14.004  1917.06  136.143  1849.24  194.155  1982.67  190.954  379.034   20.590  393.584   19.429 -14.55051 28.30919 
1 1 1   24    7    3 o  191.241   12.248  463.058   58.184  415.836   83.825  506.962   80.825  179.412   18.999  199.078   16.404 -19.66586 25.10102 
1 1 1   24    7    4 o  332.979   13.552  1401.60  112.683  1308.72  160.701  1491.45  158.049  318.743   20.295  341.158   18.622 -22.41519 27.54408 
1 1 1   24    7    5 o  251.128   11.085  794.108   69.513  762.666  101.053  822.349   95.771  244.281   16.665  254.197   15.156 -9.915756 22.52641 
1 1 1   24    7    6 o  261.564   11.895  862.784   77.694  920.509  112.773  810.630  107.192  268.319   16.917  251.646   17.160 16.67361 24.09695 
1 1 1   24    7    7 o  169.971   11.602  365.897   48.951  319.691   72.576  404.460   66.302  156.945   18.898  177.912   15.065 -20.96642 24.16797 
1 1 1   24    7    8 o  202.985   11.797  521.549   59.541  479.626   87.253  558.085   81.453  192.757   18.348  208.919   15.728 -16.16170 24.16662 
1 1 1   24    7    9 o  159.254   11.974  321.972   47.270  309.214   70.879  332.192   63.439  154.204   18.795  160.754   16.016 -6.549713 24.69389 
1 1 1   24    7   10 o  162.414   11.555  334.589   46.559  324.007   70.345  342.838   62.109  158.014   18.157  163.440   15.399 -5.426010 23.80799 
1 1 1   24    7   11 o  223.059   12.095  630.856   67.120  619.545   99.138  640.429   91.203  218.915   18.303  223.314   16.471 -4.398804 24.62280 
1 1 1   24    7   12 o  104.535   13.970  141.182   35.556   93.671   55.986  173.297   46.030   83.516   24.939  115.326   16.449 -31.81020 29.87494 
1 1 1   24    7   13 o  292.602   12.754  1085.84   93.190  917.320  135.163  1238.54  128.659  264.962   20.590  310.395   16.660 -45.43204 26.48533 
1 1 1   24    7   14 o  108.263   13.841  151.507   36.563  102.038   57.371  185.343   47.447   86.505   25.091  119.179   16.375 -32.67436 29.96183 
1 1 1   24    7   15 o  179.133   12.589  409.577   55.956  311.552   84.526  486.046   74.656  152.192   22.954  194.154   15.528 -41.96245 27.71325 
1 1 1   24    7   16 o  310.941   13.175  1232.16  102.300  1078.89  149.650  1366.60  140.164  285.804   21.118  324.650   17.352 -38.84604 27.33196 
1 1 1   24    7   17 o  196.445   12.150  492.704   59.310  400.687   90.281  562.572   78.668  173.096   21.338  208.696   15.199 -35.60004 26.19778 
1 1 1   24    7   18 o   78.819   20.366   84.969   40.373   0.0000   0.0000   84.969   40.373  ?   ?    78.819   20.366 0.000000 20.36630 
1 1 1   24    7   19 o   48.734   18.197   24.702   29.757 -18.5017   49.816   48.670   37.104   45.950   20.680   61.652   20.559 -15.70187 29.16065 
1 1 1   24    7   20 o   57.912   18.162   44.005   29.229   65.891   52.350   34.093   35.232   71.128   24.417   54.707   19.908 16.42149 31.50423 
1 1 1   24    7   21 o   33.891   15.033  -7.2639   25.336 -39.0034   47.644   5.2506   29.917   40.753   19.018   41.028   17.238 -0.2744865 25.66800 
1 1 1   24    7   22 o   49.259   17.696   27.987   27.719   14.792   51.169   33.467   32.976   54.116   22.628   53.534   19.294 0.5818214 29.73729 
1 1 1   24    7   23 o   51.591   18.122   32.171   28.919  -9.5630   52.892   49.967   34.538   48.894   21.703   61.370   19.800 -12.47608 29.37787 
1 1 1   24    7   24 o  109.375   17.171  161.172   45.354  222.470  197.398  157.755   46.601  112.819   45.491  107.845   17.934 4.973869 48.89868 
1 1 1   24    7   25 o  122.319   19.933  206.505   58.789  502.561  212.770  182.035   61.170  157.685   48.929  113.312   22.412 44.37256 53.81722 
1 1 1   24    7   26 o  128.669   20.067  229.805   62.373  477.403  221.599  208.502   65.000  147.378   50.241  121.050   22.326 26.32851 54.97768 
1 1 1   24    7   27 o   38.550   16.817  -1.8794   30.503   10.136   55.361  -7.1172   36.552   53.431   22.982   40.607   18.032 12.82399 29.21214 
1 1 1   24    8    0 o   92.210   18.400  112.225   40.883   65.667  108.047  120.005   44.167   86.110   34.008   95.236   19.234 -9.125938 39.07019 
1 1 1   24    8    1 f  226.777   11.627  649.632   65.623  600.726   94.134  695.870   91.530  216.434   17.568  233.615   15.782 -17.18115 23.61625 
1 1 1   24    8    2 o  374.928   13.139  1775.59  123.019  1691.51  175.075  1857.60  172.896  363.018   19.383  381.501   18.148 -18.48318 26.55301 
1 1 1   24    8    3 o  386.725   13.592  1890.71  131.264  1850.35  187.033  1929.88  184.270  379.478   19.806  388.430   18.997 -8.951294 27.44377 
1 1 1   24    8    4 o  466.452   14.568  2756.07  169.691  2597.07  241.061  2912.25  238.912  449.031   21.498  476.429   20.081 -27.39758 29.41807 
1 1 1   24    8    5 o  188.294   11.491  448.354   53.772  364.203   77.839  525.169   74.368  167.738   18.913  203.043   14.768 -35.30493 23.99613 
1 1 1   24    8    6 o   89.270   15.047  103.732   32.350   53.279   49.689  140.849   42.619   67.559   23.754  103.879   17.019 -36.32022 29.22137 
1 1 1   24    8    7 f  261.841   11.849  864.794   77.479  809.880  111.945  915.287  107.343  251.153   17.968  267.769   16.129 -16.61597 24.14477 
1 1 1   24    8    8 o  282.805   11.746  1008.96   82.954  956.552  119.991  1056.93  114.810  273.063   17.692  287.758   16.041 -14.69461 23.88149 
1 1 1   24    8    9 f  147.285   11.937  275.594   43.525  228.695   64.989  313.740   58.611  131.826   20.401  156.419   15.197 -24.59352 25.43899 
1 1 1   24    8   10 o  207.038   11.886  543.066   61.194  515.105   89.998  567.109   83.454  199.665   18.252  210.370   16.006 -10.70569 24.27600 
1 1 1   24    8   11 o  130.046   12.609  215.940   40.435  180.446   61.925  242.321   53.387  116.081   22.171  136.985   15.903 -20.90359 27.28452 
1 1 1   24    8   12 o  198.755   11.717  500.978   57.897  473.952   86.203  523.190   78.147  191.194   18.278  201.939   15.618 -10.74515 24.04172 
1 1 1   24    8   13 o  308.561   13.233  1208.56  101.964  1124.57  148.049  1284.33  140.634  293.796   20.304  315.481   17.925 -21.68448 27.08438 
1 1 1   24    8   14 o  120.233   13.532  186.009   39.922  129.710   60.988  228.217   52.808   97.102   25.002  132.516   16.302 -35.41386 29.84686 
1 1 1   24    8   15 o  326.746   13.872  1360.73  113.190  1112.75  163.384  1589.59  156.960  289.792   22.760  350.316   18.003 -60.52347 29.01982 
1 1 1   24    8   16 o  120.673   13.147  187.503   38.976  171.545   62.258  197.788   49.983  112.050   23.020  122.872   16.724 -10.82209 28.45411 
1 1 1   24    8   17 o  119.571   13.389  184.600   39.291  142.616   63.310  210.901   50.109  101.083   25.176  126.998   16.167 -25.91521 29.91969 
1 1 1   24    8   18 o   52.036   21.139   17.773   42.966   0.8137   48.421   80.581   93.182   49.806   21.458   83.335   31.955 -33.52891 38.49096 
1 1 1   24    8   19 o   72.803   17.522   71.678   31.470   12.796   52.264  105.169   39.416   54.481   22.832   88.167   18.493 -33.68606 29.38151 
1 1 1   24    8   20 o   92.714   15.393  113.803   34.389  123.554   57.878  108.481   42.753   93.588   24.484   89.046   19.744 4.541817 31.45330 
1 1 1   24    8   21 o  153.135   12.221  301.581   46.344  309.823   75.044  296.500   58.923  151.488   20.352  150.324   15.940 1.164734 25.85135 
1 1 1   24    8   22 o   85.782   15.890   98.477   32.785  118.944   57.778   88.757   39.815   91.349   24.725   80.150   19.967 11.19886 31.78014 
1 1 1   24    8   23 o   46.602   17.477   22.598   27.506   22.150   50.426   22.787   32.818   55.789   22.808   48.940   18.912 6.849621 29.62885 
1 1 1   24    8   24 o  144.854   12.402  271.485   44.429  240.306   74.209  288.905   55.468  130.479   23.646  148.196   15.204 -17.71754 28.11223 
1 1 1   24    8   25 o  117.891   13.717  182.368   39.628  145.344   67.352  201.970   49.008   99.047   26.647  122.940   16.370 -23.89388 31.27396 
1 1 1   24    8   26 o  173.425   12.223  389.757   52.597  310.027   86.998  435.687   66.031  146.742   24.613  181.987   14.654 -35.24483 28.64490 
1 1 1   24    8   27 o   71.023   20.077   71.317   37.191   58.890  216.511   71.695   37.752   90.448   41.624   71.173   20.266 19.27474 46.29494 
1 1 1   24    9    0 o  248.858   13.635  785.564   84.411  1091.59  169.264  684.263   97.384  289.225   23.642  231.192   16.987 58.03311 29.11225 
1 1 1   24    9    1 o  138.436   12.020  243.447   41.141  209.717   60.632  272.226   56.007  126.489   19.849  145.632   15.646 -19.14326 25.27370 
1 1 1   24    9    2 o  207.268   11.080  542.444   57.141  503.479   81.775  579.621   79.876  198.254   16.672  213.277   15.095 -15.02359 22.49076 
1 1 1   24    9    3 o  290.834   11.810  1066.30   85.771  964.985  121.889  1165.67  120.716  274.442   17.883  302.466   16.040 -28.02411 24.02239 
1 1 1   24    9    4 o   72.409   15.977   69.151   28.115   57.125   44.076   77.401   36.506   67.780   22.399   76.302   19.181 -8.521736 29.48876 
1 1 1   24    9    5 o  227.680   11.337  653.108   64.455  622.924   93.123  680.867   89.303  220.496   17.045  231.056   15.568 -10.55972 23.08452 
1 1 1   24    9    6 o  107.723   13.393  148.914   35.250   98.993   52.984  188.557   47.215   85.963   23.846  120.780   16.052 -34.81681 28.74529 
1 1 1   24    9    7 o  177.568   11.721  399.327   51.683  374.040   75.937  421.148   70.542  170.143   18.153  181.374   15.731 -11.23053 24.02038 
1 1 1   24    9    8 o  256.379   11.443  828.808   73.264  889.153  106.711  775.001  100.766  263.759   16.281  246.107   16.491 17.65195 23.17400 
1 1 1   24    9    9 o  240.113   11.432  727.205   68.546  677.513   99.638  771.853   94.447  229.593   17.511  245.892   15.460 -16.29874 23.35886 
1 1 1   24    9   10 o  146.968   12.382  274.900   45.019  226.503   67.413  313.857   60.482  130.777   21.381  156.251   15.714 -25.47354 26.53472 
1 1 1   24    9   11 o  179.435   12.262  408.949   54.616  304.503   80.078  499.792   74.681  151.808   21.745  197.579   15.254 -45.77103 26.56176 
1 1 1   24    9   12 o  165.222   11.754  346.705   48.179  318.851   72.033  369.251   64.808  156.341   18.829  169.512   15.481 -13.17136 24.37623 
1 1 1   24    9   13 o  137.188   12.834  240.605   43.457  130.078   65.786  326.177   57.885   97.255   26.407  159.381   14.710 -62.12616 30.22784 
1 1 1   24    9   14 o  187.150   11.811  445.073   54.916  412.882   82.091  471.150   73.883  177.873   18.765  191.361   15.597 -13.48781 24.40011 
1 1 1   24    9   15 o  294.267   12.359  1098.71   90.817  1096.81  133.385  1100.34  123.998  290.648   18.474  291.923   17.084 -1.275818 25.16231 
1 1 1   24    9   16 o  146.788   12.101  275.257   43.961  234.706   67.364  305.336   58.017  132.419   21.078  153.644   15.326 -21.22432 26.06104 
1 1 1   24    9   17 o  114.355   17.809  173.082   49.201   0.0000   0.0000  173.082   49.201  ?   ?   114.355   17.809 0.000000 17.80925 
1 1 1   24    9   18 o   77.300   17.588   80.482   33.185   76.530   52.351   83.136   42.907   75.686   24.373   77.999   21.388 -2.313461 32.42670 
1 1 1   24    9   19 o  250.086   12.478  797.863   77.925  708.948  116.710  869.386  104.675  230.898   20.453  258.676   16.288 -27.77789 26.14589 
1 1 1   24    9   20 o  122.595   13.438  194.783   40.464  153.279   65.263  220.702   51.574  104.051   25.351  129.524   16.307 -25.47313 30.14227 
1 1 1   24    9   21 o   64.406   18.128   56.071   30.388   19.121   52.579   74.602   37.236   56.086   23.151   73.756   19.801 -17.67017 30.46363 
1 1 1   24    9   22 o  111.230   13.760  161.483   37.404  156.847   63.001  164.007   46.484  105.166   24.452  110.740   17.381 -5.574181 30.00056 
1 1 1   24    9   23 o  135.391   12.509  236.955   41.814  252.694   69.401  227.985   52.392  135.820   21.151  131.234   16.341 4.585968 26.72781 
1 1 1   24    9   24 o  118.085   13.227  181.762   38.335  101.250   64.654  225.412   47.605   84.114   27.086  130.987   14.814 -46.87230 30.87212 
1 1 1   24    9   25 o  137.216   12.786  244.619   43.307  217.299   73.129  259.376   53.744  123.085   24.652  140.018   15.638 -16.93333 29.19344 
1 1 1   24    9   26 o   55.309   17.995   40.248   28.488   29.124   53.485   44.654   33.661   58.291   23.618   58.390   19.582 -0.9834290E-01 30.68034 
1 1 1   24    9   27 o   58.123   18.428   45.573   30.017   9.0171   54.699   61.326   35.906   53.215   22.866   66.348   20.008 -13.13297 30.38352 
1 1 1   24    9   28 o   76.575   17.295   81.468   32.290   87.200   59.873   79.117   38.344   77.230   26.116   74.506   20.132 2.723885 32.97439 
1 1 1   24   10    0 o  175.029   14.673  391.094   63.542  399.360  135.683  388.772   71.915  169.797   33.189  173.930   16.765 -4.132416 37.18319 
1 1 1   24   10    1 o  209.509   11.354  554.711   59.179  554.082   85.204  555.297   82.257  208.004   16.540  208.422   15.925 -0.4178772 22.96038 
1 1 1   24   10    2 o  295.317   12.063  1100.23   88.958  1066.11  126.216  1133.90  125.397  288.534   17.602  297.872   16.928 -9.338074 24.42069 
1 1 1   24   10    3 o  179.390   11.546  407.248   51.447  378.282   74.285  433.949   71.320  171.335   17.613  184.197   15.654 -12.86185 23.56373 
1 1 1   24   10    4 o  102.543   13.493  135.192   33.713  107.813   50.624  157.010   45.192   89.598   22.622  109.794   17.035 -20.19632 28.31878 
1 1 1   24   10    5 o  166.654   11.720  351.886   48.464  295.126   70.258  403.410   66.940  150.671   19.102  177.646   15.237 -26.97585 24.43484 
1 1 1   24   10    6 o  115.917   12.865  171.804   36.610  147.525   54.733  191.461   49.249  105.147   21.569  121.543   16.665 -16.39616 27.25674 
1 1 1   24   10    7 o  125.802   12.362  201.707   38.335  174.942   57.191  223.545   51.658  114.949   20.684  131.630   16.048 -16.68104 26.17952 
1 1 1   24   10    8 o  179.326   12.040  407.732   53.604  328.303   77.930  479.059   73.849  158.570   20.134  193.549   15.407 -34.98001 25.35273 
1 1 1   24   10    9 o  100.475   13.160  129.848   32.225  119.276   49.961  137.380   42.169   94.231   21.682  102.441   17.086 -8.210052 27.60534 
1 1 1   24   10   10 o  215.490   11.768  588.033   63.087  546.968   91.859  624.695   86.795  205.855   18.052  220.895   15.840 -15.03978 24.01575 
1 1 1   24   10   11 o  185.755   11.783  437.599   54.375  363.148   79.842  501.999   74.258  166.834   19.534  198.050   15.129 -31.21594 24.70783 
1 1 1   24   10   12 o  149.206   11.792  283.087   43.579  175.384   65.030  370.881   58.712  113.834   23.649  170.347   13.924 -56.51300 27.44357 
1 1 1   24   10   13 o   94.211   14.109  115.225   32.172  143.102   51.510   97.394   41.196  103.343   20.682   85.162   19.754 18.18166 28.60006 
1 1 1   24   10   14 o   92.379   14.650  111.306   32.667   60.690   50.835  146.910   42.636   70.054   24.060  105.846   16.683 -35.79264 29.27797 
1 1 1   24   10   15 o  146.261   12.331  273.194   44.618  200.457   67.956  328.309   59.154  121.567   23.232  159.620   15.017 -38.05260 27.66284 
1 1 1   24   10   16 o  162.046   12.860  335.915   51.612  199.239   78.197  441.417   68.703  119.528   26.853  185.146   14.988 -65.61828 30.75310 
1 1 1   24   10   17 o   73.941   22.658   73.248   45.790   72.579   50.888   76.091  104.961   74.196   24.044   85.135   33.552 -10.93877 41.27774 
1 1 1   24   10   18 o  210.902   12.616  568.614   66.140  471.843   98.550  647.927   89.218  187.966   21.376  223.592   16.086 -35.62624 26.75237 
1 1 1   24   10   19 o  210.403   11.930  565.229   62.423  506.542   94.698  610.324   83.011  195.471   19.667  217.088   15.413 -21.61652 24.98721 
1 1 1   24   10   20 o   63.057   17.802   53.431   29.259   6.2158   50.471   77.332   35.910   51.963   22.136   75.307   19.074 -23.34473 29.21996 
1 1 1   24   10   21 o  124.767   12.803  201.204   39.323  233.989   64.440  181.752   49.636  131.544   20.268  116.790   17.563 14.75430 26.81875 
1 1 1   24   10   22 o  139.387   12.609  250.728   43.413  203.216   70.347  279.953   55.173  120.240   24.265  146.254   15.335 -26.01385 28.70446 
1 1 1   24   10   23 o   86.632   15.892  100.446   33.112  106.851   56.894   97.165   40.719   86.647   24.945   83.909   19.760 2.738548 31.82263 
1 1 1   24   10   24 o   76.784   17.194   80.308   32.148   54.992   55.846   92.855   39.316   67.466   24.981   81.943   19.496 -14.47707 31.68818 
1 1 1   24   10   25 o   51.971   17.771   33.759   27.725   27.910   51.743   36.115   32.837   57.699   23.282   54.484   19.294 3.214787 30.23741 
1 1 1   24   10   26 o   55.899   18.015   41.239   28.597   79.018   52.797   25.555   34.019   75.010   24.502   50.259   19.299 24.75121 31.18941 
1 1 1   24   10   27 o   62.244   18.053   53.295   29.700   74.118   55.245   44.830   35.223   73.000   25.081   58.634   20.030 14.36521 32.09776 
1 1 1   24   10   28 o   53.394   18.048   36.978   28.596 -24.5810   52.785   62.548   34.020   45.193   20.707   66.804   19.306 -21.61144 28.31028 
1 1 1   24   11    0 o  272.894   13.852  945.795   94.089  1163.31  183.864  868.626  109.514  297.319   24.996  260.405   16.933 36.91400 30.19169 
1 1 1   24   11    1 o  239.062   11.614  720.818   69.331  693.698   98.906  747.019   97.215  232.558   17.152  241.714   16.199 -9.155945 23.59265 
1 1 1   24   11    2 f  253.233   11.812  808.999   74.693  850.238  106.525  769.116  104.760  257.806   16.635  244.931   17.238 12.87515 23.95566 
1 1 1   24   11    3 o  227.077   11.255  649.864   63.820  655.836   91.205  644.135   89.336  226.438   16.237  224.463   16.044 1.975327 22.82633 
1 1 1   24   11    4 o  107.325   12.491  147.372   32.851  119.120   49.051  170.350   44.237   94.330   21.324  114.717   15.867 -20.38731 26.57955 
1 1 1   24   11    5 o  297.677   12.089  1118.44   89.866  1107.41  128.179  1129.11  126.027  293.976   17.540  297.056   17.061 -3.080261 24.46908 
1 1 1   24   11    6 o  210.168   11.103  558.134   58.065  540.060   84.085  574.609   80.280  205.247   16.546  212.155   15.255 -6.908005 22.50531 
1 1 1   24   11    7 o  182.553   11.732  422.156   53.198  386.396   77.112  454.632   73.486  172.883   18.131  188.415   15.763 -15.53229 24.02554 
1 1 1   24   11    8 o  245.457   11.724  760.348   71.860  785.758  103.841  736.997   99.546  247.577   16.897  239.799   16.728 7.777191 23.77701 
1 1 1   24   11    9 f  105.818   12.784  143.612   33.097  142.056   51.286  144.722   43.328  103.237   20.615  105.183   17.082 -1.946007 26.77268 
1 1 1   24   11   10 o  197.936   11.609  496.283   57.131  417.422   82.790  567.979   78.939  179.355   18.762  210.791   15.096 -31.43640 24.08171 
1 1 1   24   11   11 o  147.929   11.986  278.349   43.895  200.730   65.111  343.016   59.430  122.590   22.081  163.609   14.703 -41.01986 26.52874 
1 1 1   24   11   12 o  187.368   12.476  446.341   58.042  455.102   78.875  435.993   85.718  187.787   17.004  183.025   19.033 4.762192 25.52277 
1 1 1   24   11   13 o  110.550   13.316  157.254   36.022  113.660   54.724  190.584   47.850   91.331   23.766  121.058   16.238 -29.72718 28.78342 
1 1 1   24   11   14 o  171.261   14.743  376.678   62.437  332.053   71.660  517.344  127.229  159.503   18.324  195.301   26.793 -35.79848 32.46007 
1 1 1   24   11   15 o   50.836   20.633   15.948   40.898   5.6222   44.860   66.781   99.536   49.668   21.001   82.664   32.643 -32.99523 38.81498 
1 1 1   24   11   16 o  265.611   28.724  969.835  187.489   0.0000   0.0000  969.835  187.489  ?   ?   265.611   28.724 0.000000 28.72448 
1 1 1   24   11   17 o   78.480   24.644   82.772   53.795   82.772   53.795   0.0000   0.0000   78.480   24.644  ?   ?  0.000000 24.64380 
1 1 1   24   11   18 o  319.612   18.417  1334.36  146.372  1221.15  194.548  1482.04  222.200  298.957   26.328  328.423   27.342 -29.46652 37.95709 
1 1 1   24   11   19 o  172.254   17.336  388.949   73.556  342.899   89.231  486.591  129.932  158.727   23.197  185.651   28.973 -26.92366 37.11466 
1 1 1   24   11   20 o  190.130   16.602  472.420   78.032  392.304   97.731  613.318  129.606  169.243   23.781  211.187   25.065 -41.94389 34.55104 
1 1 1   24   11   21 o  131.155   18.481  229.637   58.851  181.790   70.879  335.837  105.597  113.195   25.666  152.949   28.702 -39.75426 38.50393 
1 1 1   24   11   22 o   62.210   22.873   44.989   46.677   32.981   54.831   76.599   88.963   60.755   24.153   80.520   31.131 -19.76505 39.40144 
1 1 1   24   11   23 o   79.089   22.627   87.353   46.947   60.869   55.273  155.937   88.948   69.576   24.990  102.034   31.632 -32.45821 40.31189 
1 1 1   24   11   24 o   71.057   17.622   69.011   31.117   52.893   54.712   76.717   37.832   66.589   24.712   74.459   19.946 -7.869301 31.75681 
1 1 1   24   11   25 o   61.205   17.955   50.771   29.230   78.246   53.604   39.144   34.871   75.170   24.694   56.413   19.893 18.75732 31.71012 
1 1 1   24   11   26 o   68.650   17.886   64.940   30.970   40.272   55.594   76.041   37.293   62.360   24.469   73.821   19.815 -11.46062 31.48567 
1 1 1   24   11   27 o   73.722   17.180   74.852   31.043   50.785   57.013   84.993   37.010   65.605   25.033   77.977   19.147 -12.37148 31.51616 
1 1 1   24   11   28 o   35.540   15.367  -0.5741   25.013 -17.1346   50.327   4.8586   28.825   45.538   20.613   39.812   16.834 5.726776 26.61313 
1 1 1   24   12    0 o  115.464   16.038  172.944   44.995  373.293  121.651  141.191   48.430  164.604   30.725  103.200   19.507 61.40405 36.39484 
1 1 1   24   12    1 o  134.678   11.833  230.689   39.392  170.914   57.063  285.110   54.448  113.415   20.919  149.121   14.818 -35.70531 25.63494 
1 1 1   24   12    2 o  188.344   11.182  448.782   52.356  434.424   75.433  462.128   72.727  183.854   16.609  190.022   15.461 -6.167892 22.69145 
1 1 1   24   12    3 o  124.166   12.146  196.491   37.177  211.034   54.855  184.137   50.559  127.332   17.733  118.840   17.566 8.492401 24.96043 
1 1 1   24   12    4 o  168.227   10.945  358.095   45.729  379.165   66.526  339.222   62.963  171.968   15.663  162.572   15.705 9.395615 22.18053 
1 1 1   24   12    5 o  263.154   12.169  874.580   79.966  772.701  113.304  975.690  112.876  244.825   18.673  276.202   16.440 -31.37683 24.87884 
1 1 1   24   12    6 o  192.818   11.638  470.771   55.777  424.593   79.962  514.531   77.840  181.340   17.891  200.510   15.671 -19.16939 23.78362 
1 1 1   24   12    7 o  256.792   11.542  832.026   74.011  796.818  105.805  865.760  103.566  249.205   17.105  260.232   16.015 -11.02702 23.43224 
1 1 1   24   12    8 o  245.663   11.492  761.553   70.499  762.146  101.839  761.006   97.691  243.754   16.834  243.833   16.135 -0.7876587E-01 23.31781 
1 1 1   24   12    9 o   95.616   13.520  118.050   31.381  162.417   50.657   90.422   39.975  111.000   18.956   82.204   19.725 28.79561 27.35698 
1 1 1   24   12   10 o  170.622   11.899  369.578   50.379  363.377   73.612  375.041   69.096  167.466   17.879  170.637   16.418 -3.171021 24.27361 
1 1 1   24   12   11 o   98.673   13.408  125.632   32.182  125.706   50.105  125.580   41.989   96.670   21.328   97.506   17.904 -0.8363266 27.84675 
1 1 1   24   12   12 o  231.490   13.935  683.278   80.178  629.778   93.565  831.143  155.550  221.052   17.083  249.762   25.288 -28.71008 30.51736 
1 1 1   24   12   13 o  105.796   20.013  149.357   50.936  115.285   57.080  282.537  112.852   91.862   24.451  140.978   32.691 -49.11584 40.82366 
1 1 1   24   12   14 o  111.569   19.632  165.611   52.698  132.831   59.803  279.499  111.470   98.384   24.449  139.979   32.511 -41.59557 40.67856 
1 1 1   24   12   15 o   82.837   23.076   93.312   49.509   76.384   56.180  152.165  104.751   76.645   25.286  104.377   34.532 -27.73138 42.79999 
1 1 1   24   12   16 o  135.368   22.074  246.417   72.046  246.417   72.046   0.0000   0.0000  135.368   22.074  ?   ?  0.000000 22.07386 
1 1 1   24   12   17 o  131.847   19.034  230.414   60.853  233.238   71.417  222.929  116.263  131.187   22.617  122.499   35.773 8.688568 42.32275 
1 1 1   24   12   18 o  349.014   18.528  1591.21  160.906  1323.68  213.842  1940.38  244.299  309.669   27.955  377.546   26.072 -67.87671 38.22554 
1 1 1   24   12   19 o  254.400   17.406  844.639  109.912  813.967  141.737  890.904  174.077  245.515   23.401  252.947   28.030 -7.432205 36.51460 
1 1 1   24   12   20 o  204.767   16.324  546.594   82.780  426.246  102.297  774.899  140.897  176.518   23.815  238.556   23.976 -62.03879 33.79384 
1 1 1   24   12   21 o   84.693   23.054  100.078   50.066  125.979   58.769   31.539   95.601   94.438   24.655   72.649   30.684 21.78960 39.36236 
1 1 1   24   12   22 o   97.430   22.307  132.340   53.103  151.525   63.665   88.475   96.269  103.270   24.964   84.578   32.468 18.69165 40.95560 
1 1 1   24   12   23 o   70.970   23.230   67.755   47.452   43.612   55.904  129.982   89.751   64.140   24.711   94.448   31.975 -30.30811 40.41075 
1 1 1   24   12   24 o   59.205   22.405   38.201   45.432   28.258   53.714   63.195   85.161   58.754   23.716   76.042   30.141 -17.28846 38.35318 
1 1 1   24   12   25 o   49.413   20.766   10.338   43.435   30.485   52.019 -36.0479   78.932   58.649   23.457   54.942   25.228 3.707111 34.44777 
1 1 1   24   12   26 o  120.189   19.358  197.596   56.127  160.957   70.660  260.236   92.391  104.288   26.941  131.961   28.842 -27.67331 39.46780 
1 1 1   24   12   27 o   76.370   22.779   83.002   46.729   35.686   57.466  175.354   80.285   61.357   24.614  107.009   29.221 -45.65160 38.20630 
1 1 1   24   12   28 o   59.419   17.861   48.240   28.648   59.255   54.887   44.116   33.587   67.643   24.813   57.933   19.560 9.710365 31.59583 
1 1 1   24   12   29 o  101.275   16.841  140.092   41.095  101.017   64.834  166.335   53.133   82.071   27.168  108.565   20.346 -26.49387 33.94194 
1 1 1   24   13    0 o  134.241   36.340  259.370  124.803  259.370  124.803   0.0000   0.0000  134.241   36.340  ?   ?  0.000000 36.33992 
1 1 1   24   13    1 o  208.924   11.762  553.054   61.116  503.811   86.582  601.955   86.281  197.532   17.742  216.664   16.061 -19.13182 23.93185 
1 1 1   24   13    2 o  218.269   11.112  602.452   60.366  591.867   85.675  612.889   85.070  214.862   16.084  218.807   15.673 -3.944534 22.45773 
1 1 1   24   13    3 o  271.659   11.817  932.003   80.163  971.925  113.892  892.808  112.849  275.421   16.638  263.688   17.233 11.73303 23.95356 
1 1 1   24   13    4 o  395.041   12.486  1973.30  123.178  1899.09  173.649  2048.45  174.757  384.910   18.066  400.084   17.492 -15.17426 25.14639 
1 1 1   24   13    5 o  243.137   11.336  745.844   68.830  752.339   98.367  739.612   96.346  242.329   16.351  240.337   16.147 1.991760 22.97980 
1 1 1   24   13    6 o  300.674   12.589  1143.42   94.522  1084.83  133.886  1201.64  133.465  290.150   18.576  305.932   17.543 -15.78204 25.55043 
1 1 1   24   13    7 o  207.415   11.362  544.455   58.625  528.811   84.382  559.052   81.510  202.796   16.814  208.917   15.739 -6.121613 23.03145 
1 1 1   24   13    8 o  105.824   13.129  143.913   33.950  136.657   51.551  149.470   45.115  101.009   21.117  106.757   17.531 -5.747749 27.44606 
1 1 1   24   13    9 o  154.076   11.607  301.459   44.330  282.008   65.230  318.153   60.430  147.220   18.126  157.278   15.592 -10.05737 23.90926 
1 1 1   24   13   10 o  146.943   12.060  274.798   43.864  242.489   64.522  302.563   59.812  135.842   19.586  153.221   15.862 -17.37831 25.20378 
1 1 1   24   13   11 o  149.360   17.369  289.635   63.572  278.361   73.961  321.522  124.387  145.124   21.021  150.337   33.937 -5.213730 39.91992 
1 1 1   24   13   12 o  110.633   19.251  162.207   51.253  144.814   57.431  230.242  113.588  103.342   22.861  126.537   34.842 -23.19437 41.67220 
1 1 1   24   13   13 o  183.603   16.531  435.325   74.983  378.923   89.691  566.254  136.652  169.158   21.735  204.130   27.508 -34.97183 35.05891 
1 1 1   24   13   14 o   97.223   21.024  127.644   49.557  108.634   55.147  207.416  112.968   89.117   24.170  119.674   35.352 -30.55733 42.82460 
1 1 1   24   13   15 o  152.864   12.598  298.643   47.661  243.122   77.507  332.405   60.440  133.730   24.096  160.494   15.264 -26.76453 28.52352 
1 1 1   24   13   16 o   91.991   14.113  110.362   31.385  118.619   50.834  105.274   39.898   93.155   22.172   88.563   18.631 4.591812 28.96061 
1 1 1   24   13   17 o  140.730   12.245  253.544   42.604  225.321   65.195  274.580   56.284  129.606   20.851  145.359   15.758 -15.75273 26.13552 
1 1 1   24   13   18 o  150.657   11.732  290.043   43.789  314.159   68.138  273.075   57.153  154.539   17.993  144.706   16.089 9.833206 24.13704 
1 1 1   24   13   19 o  253.493   11.890  817.761   75.267  692.688  111.332  923.050  102.147  228.880   19.670  267.234   15.372 -38.35442 24.96379 
1 1 1   24   13   20 o  119.214   12.924  183.674   37.858  170.137   60.205  192.527   48.688  111.087   22.475  120.822   16.574 -9.735199 27.92517 
1 1 1   24   13   21 o  190.987   11.736  466.611   55.704  433.046   85.562  491.302   73.386  180.345   19.298  194.427   15.237 -14.08249 24.58837 
1 1 1   24   13   22 o   77.061   16.231   79.894   30.248   64.295   52.294   87.737   37.080   70.457   24.391   80.090   18.853 -9.632828 30.82776 
1 1 1   24   13   23 o   74.503   16.844   75.222   30.601   56.860   53.624   84.090   37.265   67.912   24.584   78.212   19.218 -10.30039 31.20431 
1 1 1   24   13   24 o  135.260   13.335  237.615   44.457  149.851   71.584  292.718   56.721  101.144   27.581  149.325   15.434 -48.18112 31.60576 
1 1 1   24   13   25 o  113.781   13.718  169.425   38.190  117.583   64.089  197.969   47.555   89.937   26.643  122.172   15.970 -32.23439 31.06238 
1 1 1   24   13   26 o  188.314   12.557  458.440   58.713  278.557   93.060  577.392   75.675  137.337   28.082  210.265   14.501 -72.92796 31.60504 
1 1 1   24   13   27 o  170.224   12.410  375.414   52.388  256.633   85.687  446.319   66.203  131.946   26.917  184.499   14.486 -52.55330 30.56771 
1 1 1   24   13   28 o   49.793   18.019   29.219   28.804   39.252   55.291   25.482   33.745   61.517   24.317   49.935   19.210 11.58136 30.98989 
1 1 1   24   13   29 o  119.837   18.991  198.787   54.936   91.680   71.015  358.403   86.692   79.362   28.345  158.746   22.498 -79.38390 36.18835 
1 1 1   24   14    0 o  236.773   29.447  764.888  170.346  764.888  170.346   0.0000   0.0000  236.773   29.447  ?   ?  0.000000 29.44658 
1 1 1   24   14    1 o   71.847   29.502   32.633   84.831  112.290  110.744 -80.4743  131.963   95.815   35.231   69.612   32.199 26.20332 47.72816 
1 1 1   24   14    2 o  140.994   15.615  256.463   54.057  230.701   58.354  412.278  143.514  132.914   18.048  170.335   34.912 -37.42084 39.30148 
1 1 1   24   14    3 o  125.573   11.762  200.946   36.455  194.201   53.580  206.759   49.743  121.749   18.180  126.299   16.141 -4.549881 24.31168 
1 1 1   24   14    4 o  166.833   11.140  352.773   46.143  351.448   66.965  353.971   63.671  165.083   16.464  165.963   15.544 -0.8799133 22.64215 
1 1 1   24   14    5 o  160.096   11.712  325.478   46.500  336.842   67.068  314.958   64.529  161.462   16.883  156.093   16.820 5.368652 23.83220 
1 1 1   24   14    6 o  404.448   13.834  2076.20  139.719  2154.97  198.115  1998.25  197.074  408.845   19.405  392.750   20.162 16.09476 27.98287 
1 1 1   24   14    7 o  315.467   11.756  1257.52   92.613  1290.04  132.231  1226.21  129.752  317.177   16.754  309.152   16.871 8.024017 23.77666 
1 1 1   24   14    8 o  382.616   13.313  1856.38  127.204  1776.82  179.995  1935.75  179.793  370.613   19.517  387.911   18.560 -17.29791 26.93366 
1 1 1   24   14    9 o  239.912   10.842  726.219   64.954  751.182   93.596  703.027   90.215  242.204   15.557  234.301   15.507 7.903748 21.96543 
1 1 1   24   14   10 o  300.659   12.234  1144.12   91.856  1070.40  130.845  1215.77  128.983  287.893   18.295  307.647   16.853 -19.75479 24.87458 
1 1 1   24   14   11 o  399.633   19.267  2063.64  192.274  1685.99  255.971  2552.63  291.270  352.557   29.341  436.962   26.823 -84.40491 39.75369 
1 1 1   24   14   12 o  105.774   20.354  149.667   51.812  159.196   58.075  112.500  114.693  108.590   22.167   96.071   35.754 12.51897 42.06814 
1 1 1   24   14   13 o   94.276   21.113  120.141   48.470  107.279   53.605  177.789  113.485   88.644   23.741  111.806   35.872 -23.16233 43.01703 
1 1 1   24   14   14 o  187.061   16.337  452.267   75.548   0.0000   0.0000  452.267   75.548  ?   ?   187.061   16.337 0.000000 16.33681 
1 1 1   24   14   15 o  148.632   17.838  289.105   64.884  289.105   64.884   0.0000   0.0000  148.632   17.838  ?   ?  0.000000 17.83774 
1 1 1   24   14   16 o  191.933   11.288  468.306   53.865  455.305   80.014  479.079   72.842  187.009   17.331  192.738   15.259 -5.729187 23.09115 
1 1 1   24   14   17 o  148.239   11.914  280.853   43.730  250.580   66.321  304.138   58.164  137.139   19.951  153.147   15.419 -16.00833 25.21459 
1 1 1   24   14   18 o  162.125   12.282  336.414   49.356  238.767   73.973  414.769   66.263  132.148   23.266  179.107   14.952 -46.95888 27.65603 
1 1 1   24   14   19 o  204.934   12.396  537.288   63.139  454.429   93.951  605.532   85.264  184.434   20.760  215.960   15.923 -31.52615 26.16298 
1 1 1   24   14   20 o  129.210   12.507  215.032   39.851  166.900   62.594  247.840   51.677  109.495   23.588  137.816   15.273 -28.32164 28.10098 
1 1 1   24   14   21 o  136.996   11.954  241.148   40.484  257.360   64.982  230.864   51.755  138.577   19.302  132.582   15.952 5.995331 25.04102 
1 1 1   24   14   22 o  217.133   12.101  604.250   65.354  586.585   99.538  617.635   86.645  209.898   19.203  217.423   16.072 -7.525238 25.04144 
1 1 1   24   14   23 o   94.670   14.727  118.385   33.684   82.061   56.410  138.514   41.992   77.312   25.330  101.652   17.153 -24.34084 30.59105 
1 1 1   24   14   24 o  288.079   12.758  1065.87   91.780  1011.02  138.575  1108.73  122.500  274.116   20.390  290.305   16.972 -16.18811 26.52908 
1 1 1   24   14   25 o  180.866   12.171  421.394   54.650  396.074   86.969  437.916   70.254  170.395   20.875  182.652   15.551 -12.25618 26.03094 
1 1 1   24   14   26 o  222.158   12.680  637.633   70.051  546.057  109.755  700.580   90.995  198.526   22.538  230.730   15.890 -32.20366 27.57639 
1 1 1   24   14   27 o   81.221   16.352   89.678   32.018   78.943   57.623   94.472   38.509   75.264   25.619   82.402   19.089 -7.138062 31.94915 
1 1 1   24   14   28 o  114.076   13.756  171.554   38.396  146.124   68.440  183.233   46.382   98.467   27.018  116.723   16.362 -18.25651 31.58607 
1 1 1   24   14   29 o  190.855   12.318  473.483   58.393  393.896   95.768  520.581   73.672  165.423   23.874  198.317   14.987 -32.89362 28.18846 
1 1 1   24   15    0 o  258.003   29.417  912.065  186.141  912.065  186.141   0.0000   0.0000  258.003   29.417  ?   ?  0.000000 29.41710 
1 1 1   24   15    1 o   80.451   33.193   44.664  108.017   44.664  108.017   0.0000   0.0000   80.451   33.193  ?   ?  0.000000 33.19269 
1 1 1   24   15    2 o  209.370   13.879  559.741   72.155  514.336   79.674  766.825  170.152  199.893   16.098  236.847   29.401 -36.95352 33.51937 
1 1 1   24   15    3 o  197.729   14.017  499.534   68.762  474.341   76.222  609.672  159.372  191.975   16.047  209.799   31.384 -17.82382 35.24844 
1 1 1   24   15    4 o  204.254   14.482  533.560   73.388  512.949   82.124  615.264  163.512  199.498   16.636  210.400   32.141 -10.90201 36.19102 
1 1 1   24   15    5 o   62.809   15.602   52.306   24.360   65.612   38.457   43.388   31.482   70.376   20.580   58.612   18.903 11.76350 27.94432 
1 1 1   24   15    6 o  140.403   11.953  251.100   41.508  196.757   60.415  299.687   57.126  121.685   20.618  152.607   15.192 -30.92239 25.61080 
1 1 1   24   15    7 o   76.372   14.964   76.769   27.519   54.067   42.792   92.778   35.935   65.884   22.079   83.498   17.779 -17.61376 28.34780 
1 1 1   24   15    8 o  113.310   12.379  164.437   34.457  141.893   51.574  182.614   46.310  102.874   20.791  118.523   16.060 -15.64930 26.27164 
1 1 1   24   15    9 o  230.411   11.414  671.014   65.673  707.537   94.817  637.337   91.049  234.609   16.285  222.525   16.502 12.08360 23.18483 
1 1 1   24   15   10 o  186.832   14.581  447.256   67.491  405.106   76.165  601.331  145.621  176.762   17.484  209.953   28.512 -33.19157 33.44631 
1 1 1   24   15   11 o  371.022   19.463  1787.18  179.699  1611.11  238.712  2017.45  272.989  345.332   27.920  385.997   28.523 -40.66504 39.91377 
1 1 1   24   15   12 o  134.640   18.434  237.974   60.352  250.397   69.208  198.537  123.309  137.279   20.843  117.238   37.369 20.04079 42.78933 
1 1 1   24   15   13 o   84.960   14.776   94.665   30.211   43.251   47.563  129.439   39.116   62.733   23.085   99.238   16.354 -36.50531 28.29103 
1 1 1   24   15   14 o  152.088   12.002  295.076   45.211  273.914   66.959  312.806   61.292  144.187   19.064  155.364   16.028 -11.17703 24.90675 
1 1 1   24   15   15 o  107.387   12.956  148.730   34.041  118.141   52.600  170.773   44.653   92.801   22.850  114.256   16.096 -21.45564 27.94999 
1 1 1   24   15   16 o  239.978   11.395  730.234   68.289  756.933   99.648  706.593   93.770  241.744   16.608  233.756   16.163 7.988144 23.17446 
1 1 1   24   15   17 o  153.334   11.509  300.051   43.748  313.580   66.536  289.747   58.065  154.632   17.541  149.242   15.821 5.389847 23.62226 
1 1 1   24   15   18 o  238.868   12.451  728.945   74.011  662.426  108.167  787.501  101.486  224.002   19.533  246.169   16.606 -22.16685 25.63760 
1 1 1   24   15   19 o  100.898   13.711  132.634   33.652   81.113   53.798  165.752   43.132   77.377   24.685  112.283   15.822 -34.90605 29.32048 
1 1 1   24   15   20 o   43.486   15.898   20.348   22.503   44.492   43.589   11.575   26.275   61.416   22.176   41.382   16.628 20.03392 27.71748 
1 1 1   24   15   21 o  172.311   11.538  379.949   49.360  380.129   76.158  379.818   64.817  169.313   18.304  170.700   15.370 -1.386932 23.90148 
1 1 1   24   15   22 o  243.954   11.987  760.407   73.022  685.056  109.237  821.280   98.183  226.673   19.488  251.037   15.742 -24.36404 25.05144 
1 1 1   24   15   23 o  166.809   12.232  357.967   50.596  281.301   79.010  411.261   65.875  142.544   22.977  177.582   14.995 -35.03810 27.43755 
1 1 1   24   15   24 o  169.421   12.152  369.475   51.069  302.019   79.782  416.300   66.471  147.959   22.284  178.496   15.053 -30.53716 26.89199 
1 1 1   24   15   25 o  125.470   13.197  204.924   40.730  119.047   66.910  255.478   51.337   90.328   27.329  139.462   14.975 -49.13437 31.16318 
1 1 1   24   15   26 o  225.392   12.053  654.192   67.594  646.670  105.934  659.357   87.787  218.752   19.600  223.867   15.805 -5.115158 25.17852 
1 1 1   24   15   27 o  111.075   13.998  162.579   37.964  112.618   65.459  187.902   46.603   87.356   27.144  118.549   16.163 -31.19364 31.59217 
1 1 1   24   15   28 o  140.471   12.637  257.087   43.854  220.943   73.994  276.658   54.448  123.115   24.923  144.382   15.336 -21.26726 29.26336 
1 1 1   24   15   29 f  121.292   13.395  193.717   39.895  140.919   69.228  219.971   48.817   95.931   27.487  128.225   15.565 -32.29426 31.58750 
1 1 1   24   16    0 o  156.138   15.024  314.636   57.857  301.975   62.153  396.842  158.374  152.393   16.601  162.095   39.490 -9.702087 42.83741 
1 1 1   24   16    1 o   88.371   34.908   80.182  113.858   80.182  113.858   0.0000   0.0000   88.371   34.908  ?   ?  0.000000 34.90752 
1 1 1   24   16    2 o  135.011   16.272  236.936   53.755  237.605   57.611  232.434  149.452  134.787   17.531  125.094   41.241 9.693069 44.81205 
1 1 1   24   16    3 f  124.005   16.857  200.830   50.846  209.226   54.060  136.453  149.696  126.368   17.610  105.329   40.475 21.03970 44.13969 
1 1 1   24   16    4 o  249.760   14.012  796.576   87.039  747.529   98.613  969.488  185.158  240.895   16.492  267.068   28.189 -26.17339 32.65922 
1 1 1   24   16    5 o  100.013   18.062  132.515   43.451  123.294   45.936  210.883  133.921   95.895   19.837  120.501   39.001 -24.60602 43.75595 
1 1 1   24   16    6 o  207.272   14.255  549.603   73.335  536.403   82.012  602.266  163.807  204.036   16.230  207.187   32.749 -3.151550 36.55025 
1 1 1   24   16    7 o   48.160   15.981   28.360   22.428   18.541   36.275   34.436   28.535   49.611   19.670   53.309   18.029 -3.698208 26.68224 
1 1 1   24   16    8 o  112.742   12.168  162.819   33.715  125.832   50.069  193.503   45.604   96.491   21.345  122.200   15.278 -25.70925 26.24965 
1 1 1   24   16    9 o  145.238   11.804  268.744   42.440  292.507   62.387  248.276   57.901  150.042   16.948  138.021   17.170 12.02087 24.12566 
1 1 1   24   16   10 o  399.674   16.415  2049.28  163.833  2009.81  196.874  2138.17  295.454  392.714   20.143  395.049   30.178 -2.334717 36.28269 
1 1 1   24   16   11 o  253.923   17.383  833.846  109.563  820.039  137.727  857.641  180.814  249.016   22.388  249.714   29.570 -0.6971588 37.08919 
1 1 1   24   16   12 o  250.007   17.209  808.500  106.783  781.205  133.810  856.362  177.192  242.903   22.309  249.739   28.949 -6.836578 36.54808 
1 1 1   24   16   13 f  173.208   16.190  388.436   69.216   0.0000   0.0000  388.436   69.216  ?   ?   173.208   16.190 0.000000 16.19016 
1 1 1   24   16   14 o  157.831   12.556  318.508   49.079  295.210   67.956  343.909   70.957  149.847   18.557  162.187   17.813 -12.34048 25.72335 
1 1 1   24   16   15 o  203.188   10.851  524.119   54.859  546.120   80.551  505.086   74.920  205.553   15.814  197.860   15.281 7.692657 21.99103 
1 1 1   24   16   16 o  252.761   11.754  811.404   74.193  838.280  107.945  787.337  102.145  254.012   17.117  246.371   16.701 7.641617 23.91513 
1 1 1   24   16   17 o  163.683   11.942  342.447   48.476  327.982   72.159  354.345   65.444  157.571   18.704  164.998   16.088 -7.427002 24.67089 
1 1 1   24   16   18 o  197.467   11.830  497.861   58.065  434.301   85.094  553.243   79.431  181.185   19.095  206.598   15.509 -25.41338 24.59981 
1 1 1   24   16   19 o   79.009   14.932   82.847   28.382   93.297   47.543   77.061   35.377   82.105   22.514   75.238   18.864 6.867088 29.37245 
1 1 1   24   16   20 o  121.238   12.135  189.333   36.246  220.237   58.277  169.836   46.288  128.332   18.737  113.140   16.901 15.19157 25.23363 
1 1 1   24   16   21 o  163.765   11.711  343.729   47.578  374.994   73.319  320.988   62.531  168.400   17.700  156.376   16.251 12.02473 24.02841 
1 1 1   24   16   22 o  134.592   12.350  233.649   41.045  214.471   65.181  246.250   52.836  124.907   21.683  136.881   15.744 -11.97367 26.79650 
1 1 1   24   16   23 o  129.529   12.792  217.256   40.835  199.803   65.362  228.429   52.298  119.794   22.680  131.446   16.281 -11.65215 27.91848 
1 1 1   24   16   24 o   63.712   17.011   55.163   27.574  -2.2261   50.653   79.331   32.871   49.578   21.648   76.219   17.622 -26.64009 27.91379 
1 1 1   24   16   25 o   93.962   14.566  116.965   33.072  103.693   58.697  123.138   40.031   84.957   25.573   95.351   17.455 -10.39387 30.96231 
1 1 1   24   16   26 o  181.422   11.950  424.291   53.834  436.761   86.004  416.258   69.031  179.555   19.494  177.681   15.720 1.873993 25.04292 
1 1 1   24   16   27 o   61.710   17.519   52.103   28.255   15.311   53.537   66.307   33.265   54.641   23.014   69.134   18.781 -14.49269 29.70469 
1 1 1   24   16   28 o  173.566   12.306  390.786   52.993  329.998   85.756  428.338   67.402  152.378   23.275  180.066   15.130 -27.68825 27.76054 
1 1 1   24   16   29 o  122.238   13.253  196.511   39.807  170.070   68.687  209.883   48.847  106.397   26.059  124.975   16.021 -18.57762 30.58972 
1 1 1   24   17    0 o  231.848   14.171  689.995   81.652  646.718   90.456  880.417  189.745  223.439   16.325  249.982   31.065 -26.54257 35.09354 
1 1 1   24   17    1 o  210.623   15.801  573.110   82.503  573.110   82.503   0.0000   0.0000  210.623   15.801  ?   ?  0.000000 15.80130 
1 1 1   24   17    2 o  193.717   31.034  528.606  145.057  528.606  145.057   0.0000   0.0000  193.717   31.034  ?   ?  0.000000 31.03375 
1 1 1   24   17    3 o  139.578   15.818  252.945   54.159  239.912   57.921  343.603  152.764  135.297   17.557  150.169   40.015 -14.87132 43.69711 
1 1 1   24   17    4 o  438.937   16.797  2480.00  184.116  2274.22  217.582  2998.90  345.509  416.390   20.993  467.241   29.767 -50.85129 36.42493 
1 1 1   24   17    5 o  255.974   14.396  838.882   91.650  805.182  104.275  953.313  192.149  249.639   16.825  262.798   29.807 -13.15874 34.22759 
1 1 1   24   17    6 o  200.055   14.890  514.180   73.856  489.763   82.443  613.415  166.202  194.326   17.166  208.105   33.090 -13.77899 37.27726 
1 1 1   24   17    7 o   70.710   20.493   66.772   38.283   65.100   40.057   84.413  130.075   70.070   21.134   92.269   37.025 -22.19859 42.63207 
1 1 1   24   17    8 o  216.807   14.075  601.680   75.790  549.008   84.883  808.784  168.317  206.052   16.638  243.143   28.248 -37.09111 32.78371 
1 1 1   24   17    9 o  103.183   12.159  136.818   30.729  166.755   47.036  114.526   40.588  112.598   17.280   92.670   18.189 19.92787 25.08841 
1 1 1   24   17   10 o  241.751   14.897  749.971   89.496  752.961  103.293  740.967  179.244  241.126   17.269  229.562   32.149 11.56345 36.49377 
1 1 1   24   17   11 o  161.408   16.727  338.593   66.441  287.479   75.285  518.607  141.284  146.873   21.135  192.553   30.391 -45.68022 37.01758 
1 1 1   24   17   12 o  212.369   16.246  583.024   85.503   0.0000   0.0000  583.024   85.503  ?   ?   212.369   16.246 0.000000 16.24599 
1 1 1   24   17   13 o   72.133   20.762   69.974   39.417   62.668   41.681  131.785  121.241   69.009   21.696  100.013   36.850 -31.00374 42.76215 
1 1 1   24   17   14 o  130.801   12.074  219.108   38.992  223.945   58.633  215.273   52.210  130.111   18.573  128.205   16.705 1.905945 24.98008 
1 1 1   24   17   15 o  188.386   11.196  451.561   52.434  487.131   77.184  421.077   71.452  193.809   16.093  180.121   16.054 13.68781 22.73152 
1 1 1   24   17   16 o  107.217   12.877  148.578   33.788  132.393   52.309  160.166   44.260   98.230   21.885  110.211   16.597 -11.98092 27.46621 
1 1 1   24   17   17 o   35.707   14.498   7.2074   20.199 -18.0700   37.916   17.224   23.868   39.539   17.895   42.645   16.215 -3.105869 24.14848 
1 1 1   24   17   18 o   88.332   14.195  102.488   30.252   74.065   48.541  120.538   38.682   74.108   23.428   95.082   16.911 -20.97440 28.89384 
1 1 1   24   17   19 o  126.306   11.760  204.915   36.667  254.330   58.404  172.767   47.107  138.782   17.222  114.106   17.055 24.67635 24.23825 
1 1 1   24   17   20 f  264.497   11.470  891.320   75.758  919.089  111.361  867.398  103.361  265.027   16.915  257.977   16.125 7.049774 23.36942 
1 1 1   24   17   21 o   88.087   14.422  102.460   30.626  112.396   51.518   97.030   38.087   89.487   22.945   84.345   18.584 5.141357 29.52742 
1 1 1   24   17   22 o   50.454   16.462   32.420   23.835   0.1872   45.575   44.556   27.965   47.894   20.726   57.928   17.699 -10.03345 27.25479 
1 1 1   24   17   23 o  211.167   11.982  572.399   62.923  580.505   94.796  566.014   84.129  208.904   18.358  207.564   16.364 1.339127 24.59226 
1 1 1   24   17   24 f  105.017   13.411  144.249   34.366  158.353   58.086  136.654   42.627  106.142   22.607  100.583   17.613 5.559547 28.65820 
1 1 1   24   17   25 o  143.884   12.456  267.931   44.313  268.474   70.914  267.582   56.760  139.745   20.968  142.055   16.295 -2.310684 26.55549 
1 1 1   24   17   26 o  169.408   12.707  371.844   53.365  330.542   84.182  399.592   69.001  153.874   22.580  173.799   16.081 -19.92529 27.72052 
1 1 1   24   17   27 o  129.404   12.738  218.182   40.627  216.774   68.531  218.946   50.449  123.498   23.070  128.068   16.133 -4.569695 28.15102 
1 1 1   24   17   28 o  170.336   12.300  376.529   51.969  326.558   84.323  407.134   65.992  151.737   22.973  175.437   15.214 -23.70009 27.55355 
1 1 1   24   17   29 f  118.900   13.822  186.884   40.275  130.126   68.905  216.336   49.637   92.142   27.701  126.883   16.023 -34.74107 32.00138 
1 1 1   24   18    0 f  264.212   15.212  901.706   99.940  938.847  113.607  774.603  210.164  268.492   17.033  225.753   38.671 42.73875 42.25581 
1 1 1   24   18    1 o   84.273   19.694   96.605   40.701   82.301   42.189  288.702  154.610   77.626   21.177  134.890   41.685 -57.26446 46.75513 
1 1 1   24   18    2 o  150.231   35.096  335.591  129.286  335.591  129.286   0.0000   0.0000  150.231   35.096  ?   ?  0.000000 35.09566 
1 1 1   24   18    3 o  149.197   15.663  289.150   57.484  286.906   61.647  304.109  159.139  148.120   16.973  138.890   42.175 9.229843 45.46259 
1 1 1   24   18    4 o  435.026   17.023  2445.44  184.932  2311.01  218.817  2781.48  345.966  419.330   20.897  445.717   31.281 -26.38715 37.61885 
1 1 1   24   18    5 o  167.417   15.474  362.652   63.959  347.415   69.409  448.408  164.665  163.124   17.303  171.973   39.213 -8.848572 42.86133 
1 1 1   24   18    6 o  185.178   14.574  441.283   66.849  425.422   73.287  519.853  163.111  181.095   16.383  188.278   36.005 -7.183243 39.55666 
1 1 1   24   18    7 o  193.120   14.198  478.942   67.991  431.632   74.606  710.795  165.159  182.367   16.563  225.704   30.050 -43.33730 34.31199 
1 1 1   24   18    8 o  268.058   14.458  921.395   96.425  851.309  109.787  1157.88  201.667  256.205   17.260  290.471   28.156 -34.26639 33.02535 
1 1 1   24   18    9 o   55.257   19.829   34.750   34.792   35.150   36.091   29.505  130.836   55.853   20.177   82.537   35.411 -26.68438 40.75608 
1 1 1   24   18   10 o  267.077   14.319  914.475   95.151  878.110  109.384  1027.57  192.900  260.362   16.916  272.879   28.740 -12.51791 33.34875 
1 1 1   24   18   11 o  114.580   18.541  174.387   51.239  158.093   55.559  267.091  132.527  107.984   21.360  132.806   38.024 -24.82217 43.61307 
1 1 1   24   18   12 o  139.280   12.943  249.120   44.501  193.045   69.404  288.269   57.991  118.348   24.298  148.935   15.835 -30.58788 29.00259 
1 1 1   24   18   13 o  209.689   11.990  560.529   62.525  571.778   90.144  550.099   86.797  209.454   17.392  205.582   17.061 3.871780 24.36311 
1 1 1   24   18   14 o  233.693   12.451  697.255   72.398  647.378  103.652  744.766  101.164  222.007   18.876  239.286   17.041 -17.27995 25.43030 
1 1 1   24   18   15 o   41.987   15.133   19.343   20.287   42.529   37.942   10.061   24.007   59.340   20.763   39.480   15.884 19.85967 26.14162 
1 1 1   24   18   16 o   95.503   13.059  118.534   30.329  129.166   48.650  111.775   38.790   97.272   20.666   91.299   17.652 5.973236 27.17869 
1 1 1   24   18   17 o  103.839   12.555  139.503   31.895  151.915   50.323  131.169   41.234  105.941   19.748   99.145   17.283 6.796516 26.24297 
1 1 1   24   18   18 f   86.994   13.632   99.213   28.642   97.207   47.088  100.392   36.086   83.721   22.172   86.386   17.331 -2.664879 28.14141 
1 1 1   24   18   19 o   78.894   14.474   82.509   27.464   74.926   45.804   86.766   34.317   74.044   22.657   80.031   17.646 -5.986572 28.71769 
1 1 1   24   18   20 o   66.069   15.998   58.888   26.112   54.183   45.409   61.213   31.918   65.395   22.723   67.103   18.466 -1.707809 29.28076 
1 1 1   24   18   21 o  190.317   11.639  464.053   55.049  482.414   82.875  449.555   73.643  191.028   17.570  185.193   16.084 5.835571 23.82004 
1 1 1   24   18   22 o  132.981   12.181  228.187   40.002  212.456   63.255  238.671   51.639  124.402   21.117  134.654   15.649 -10.25206 26.28347 
1 1 1   24   18   23 o  200.969   13.434  522.623   67.030  478.046   91.992  573.079   97.870  188.325   19.861  206.847   19.165 -18.52167 27.59976 
1 1 1   24   18   24 o  137.827   13.562  247.385   46.073  208.113   68.906  279.138   61.960  121.425   23.575  144.584   17.519 -23.15853 29.37112 
1 1 1   24   18   25 o   86.875   18.140  103.440   38.084  250.913  161.661   94.774   39.187  119.243   42.747   82.670   19.328 36.57232 46.91363 
1 1 1   24   18   26 o   95.049   18.133  123.663   41.469  217.495  169.821  117.713   42.763  111.502   43.039   92.230   19.192 19.27179 47.12375 
1 1 1   24   18   27 o  118.545   17.666  190.535   50.700  236.288  184.481  186.797   52.731  112.984   44.496  116.818   18.707 -3.834114 48.26864 
1 1 1   24   18   28 o   84.853   18.831  100.477   38.859  173.844  187.689   97.192   39.719  102.182   43.067   83.168   19.469 19.01380 47.26300 
1 1 1   24   18   29 o  151.276   17.358  310.134   64.384  458.408  212.365  295.126   67.564  143.494   49.181  146.487   18.912 -2.993347 52.69201 
1 1 1   24   19    0 f  275.918   14.646  984.090  100.555  944.938  113.233  1130.16  218.710  268.812   16.955  278.935   31.976 -10.12259 36.19355 
1 1 1   24   19    1 o  200.895   14.270  521.278   71.122  493.859   77.133  676.896  183.756  194.681   16.008  212.221   35.958 -17.53951 39.36007 
1 1 1   24   19    2 o  125.481   17.176  208.038   52.407  208.038   52.407   0.0000   0.0000  125.481   17.176  ?   ?  0.000000 17.17577 
1 1 1   24   19    3 o   87.071   34.322   84.887  109.855   84.887  109.855   0.0000   0.0000   87.071   34.322  ?   ?  0.000000 34.32193 
1 1 1   24   19    4 f  126.385   16.335  209.547   50.348  180.837   53.135  461.966  157.551  116.309   18.947  174.684   37.254 -58.37550 41.79539 
1 1 1   24   19    5 f  135.992   15.833  241.337   52.762  227.510   56.200  344.062  153.188  131.342   17.576  148.089   40.333 -16.74620 43.99609 
1 1 1   24   19    6 o  356.059   14.785  1627.51  131.464  1457.60  151.203  2153.81  266.115  334.194   18.186  396.409   27.044 -62.21423 32.59049 
1 1 1   24   19    7 o   89.892   19.011  109.107   41.342  106.162   43.095  143.120  146.456   88.373   19.995  104.121   40.029 -15.74851 44.74501 
1 1 1   24   19    8 o  199.204   15.109  512.465   74.602  530.050   83.262  440.872  167.996  201.898   16.663  168.579   40.428 33.31923 43.72762 
1 1 1   24   19    9 o  110.956   17.815  163.380   47.692  153.074   50.615  244.937  142.389  106.646   19.733  125.937   40.158 -19.29151 44.74446 
1 1 1   24   19   10 o  198.683   14.126  507.763   69.627  463.233   76.854  711.706  164.472  188.732   16.472  224.864   30.041 -36.13176 34.26088 
1 1 1   24   19   11 o  140.291   39.511  305.979  144.312   0.0000   0.0000  305.979  144.312  ?   ?   140.291   39.511 0.000000 39.51054 
1 1 1   24   19   12 o  206.280   20.776  565.916  105.566  565.916  105.566   0.0000   0.0000  206.280   20.776  ?   ?  0.000000 20.77625 
1 1 1   24   19   13 o  151.102   15.815  297.448   58.790  288.366   64.837  339.436  139.414  147.894   17.922  148.841   37.520 -0.9469604 41.58043 
1 1 1   24   19   14 f  169.782   12.481  369.442   52.545  312.698   75.811  421.903   72.894  152.862   20.367  179.870   16.409 -27.00772 26.15502 
1 1 1   24   19   15 f   46.001   15.476   25.844   21.023   10.046   37.029   33.358   25.538   46.698   19.364   51.586   17.050 -4.888412 25.80048 
1 1 1   24   19   16 o   86.964   13.134   98.783   27.634  109.807   45.023   92.119   35.004   89.438   20.585   82.651   17.504 6.787521 27.02152 
1 1 1   24   19   17 o  222.440   11.843  632.485   65.546  691.854   95.976  580.591   89.731  230.013   16.826  210.384   17.231 19.62939 24.08358 
1 1 1   24   19   18 o   71.843   15.490   69.212   26.972   33.730   44.540   89.758   33.893   57.658   22.096   81.543   17.187 -23.88499 27.99344 
1 1 1   24   19   19 f  124.855   12.437  201.299   38.261  149.621   58.163  240.719   50.799  103.361   23.114  135.568   15.271 -32.20685 27.70318 
1 1 1   24   19   20 f   67.757   16.036   62.027   26.712   28.165   45.435   79.913   33.021   55.946   22.066   76.628   17.624 -20.68172 28.24064 
1 1 1   24   19   21 o  327.996   13.828  1387.57  113.263  1373.74  162.793  1400.55  157.685  319.797   20.493  323.893   19.588 -4.095520 28.34850 
1 1 1   24   19   22 f  140.395   13.692  256.460   47.394  176.608   68.099  331.466   66.000  111.024   25.146  158.162   16.976 -47.13734 30.33985 
1 1 1   24   19   23 o  254.673   18.810  866.217  118.776  714.151  208.688  939.081  144.456  206.862   41.836  261.831   22.306 -54.96826 47.41114 
1 1 1   24   19   24 o  174.985   16.901  406.245   72.933  441.929  177.650  399.011   79.984  158.009   43.600  172.155   18.917 -14.14577 47.52714 
1 1 1   24   19   25 o  100.846   17.689  138.108   42.923  147.067  158.465  137.399   44.590   99.795   40.574  100.227   18.497 -0.4321136 44.59126 
1 1 1   24   19   26 o  133.576   16.512  238.433   53.906  173.292  170.324  245.684   56.827  103.620   42.090  135.241   17.217 -31.62162 45.47491 
1 1 1   24   19   27 o  189.895   15.263  476.136   71.768  644.913  200.041  451.203   76.886  189.497   43.229  183.676   16.954 5.821426 46.43499 
1 1 1   24   19   28 o   95.782   14.251  122.248   33.048  166.365   61.482  104.323   39.191  106.935   23.651   86.490   18.691 20.44530 30.14524 
1 1 1   24   19   29 o  154.765   13.135  314.051   50.283  209.082   81.363  378.918   63.960  116.242   28.296  168.670   15.353 -52.42819 32.19276 
1 1 1   24   20    0 o  137.762   16.347  250.748   55.138  273.226   58.563   75.284  163.623  143.744   16.621   91.790   39.496 51.95416 42.85130 
1 1 1   24   20    1 o  122.059   16.347  197.122   48.573  198.326   50.990  185.311  159.688  122.078   17.203  109.642   41.881 12.43591 45.27697 
1 1 1   24   20    2 o  212.403   14.974  585.859   78.913  577.974   86.613  624.381  191.441  210.016   16.652  198.166   40.063 11.85023 43.38609 
1 1 1   24   20    3 o  172.862   32.605  441.844  135.586  441.844  135.586   0.0000   0.0000  172.862   32.605  ?   ?  0.000000 32.60535 
1 1 1   24   20    4 f   71.926   29.753   38.612   87.112   59.983  106.252  -5.2072  152.145   80.761   33.073   80.840   36.281 -0.7928467E-01 49.09334 
1 1 1   24   20    5 o   72.497   19.878   71.668   37.062   73.514   38.314   44.799  146.180   73.370   20.249   86.396   37.253 -13.02605 42.40062 
1 1 1   24   20    6 o   92.895   18.298  116.325   40.936  103.102   42.515  284.482  151.614   86.830   20.017  132.896   41.313 -46.06591 45.90753 
1 1 1   24   20    7 o  268.865   13.560  928.135   90.749  820.658  101.055  1375.90  206.263  251.307   16.189  316.038   26.377 -64.73111 30.94841 
1 1 1   24   20    8 o  138.187   15.669  249.398   53.114  243.398   56.472  295.402  156.366  135.975   17.003  135.271   41.940 0.7042236 45.25558 
1 1 1   24   20    9 o  136.007   15.863  241.913   52.865  232.505   56.529  307.515  149.270  132.668   17.489  138.946   40.522 -6.278061 44.13505 
1 1 1   24   20   10 o  127.386   41.448  258.862  151.141   0.0000   0.0000  258.862  151.141  ?   ?   127.386   41.448 0.000000 41.44754 
1 1 1   24   20   11 o   59.432   20.770   42.975   37.964   46.904   39.636  -0.6518  132.081   61.502   21.238   77.261   34.295 -15.75859 40.33864 
1 1 1   24   20   12 o  193.107   17.141  488.356   81.796  464.303   94.093  562.768  165.496  186.389   20.557  193.986   35.471 -7.596558 40.99760 
1 1 1   24   20   13 o   93.623   18.603  118.427   41.960   88.086   44.088  410.210  136.720   79.942   21.581  165.822   34.154 -85.87943 40.40117 
1 1 1   24   20   14 o  187.005   14.340  452.273   66.458  421.185   73.426  593.131  156.294  179.391   16.578  201.760   32.096 -22.36972 36.12487 
1 1 1   24   20   15 o  181.614   15.417  429.313   69.259  457.168   77.922  324.526  151.133  186.701   16.896  141.489   40.634 45.21213 44.00658 
1 1 1   24   20   16 f  109.432   12.582  155.039   33.758  162.278   51.718  149.666   44.560  109.382   19.657  105.807   17.475 3.575218 26.30125 
1 1 1   24   20   17 o  161.570   11.547  334.448   46.283  336.822   68.456  332.449   62.816  159.602   17.461  159.249   16.013 0.3527374 23.69167 
1 1 1   24   20   18 o   90.665   12.796  107.280   28.166  129.012   46.247   94.467   35.511   97.080   19.749   83.480   17.590 13.60010 26.44654 
1 1 1   24   20   19 o  172.846   12.637  384.966   54.166  343.803   79.816  420.108   73.748  159.325   20.539  178.577   16.733 -19.25259 26.49242 
1 1 1   24   20   20 o  125.953   12.848  205.687   39.845  168.685   60.903  233.377   52.685  109.629   22.981  132.860   16.216 -23.23119 28.12641 
1 1 1   24   20   21 o  211.023   13.493  576.252   70.730  512.687   95.410  653.807  105.387  195.056   19.865  220.896   19.299 -25.84021 27.69581 
1 1 1   24   20   22 o  251.884   17.526  840.344  109.554  926.014  201.808  804.547  130.450  246.964   33.595  242.753   21.750 4.210251 40.02099 
1 1 1   24   20   23 o  212.259   17.787  599.785   93.413  482.820  182.074  641.572  108.827  165.932   43.433  217.611   20.259 -51.67844 47.92596 
1 1 1   24   20   24 o   53.951   17.590   37.837   27.216  150.173  149.589   33.992   27.678  100.003   39.850   52.050   17.756 47.95264 43.62661 
1 1 1   24   20   25 o  124.252   13.369  201.900   40.828  148.911   65.473  235.616   52.226  100.608   25.905  133.076   16.039 -32.46803 30.46809 
1 1 1   24   20   26 o  195.600   12.417  495.461   60.335  423.956   91.492  550.488   80.260  174.873   21.398  203.943   15.885 -29.06921 26.64922 
1 1 1   24   20   27 o  137.607   12.260  246.293   41.688  270.447   69.115  232.479   52.267  139.602   20.430  131.723   16.233 7.878876 26.09434 
1 1 1   24   20   28 o   55.454   16.652   41.718   24.910   49.573   52.797   39.468   28.252   63.848   24.155   54.627   17.927 9.220940 30.08042 
1 1 1   24   20   29 o   45.513   16.077   25.087   22.786   19.051   52.232   26.506   25.323   54.430   22.818   47.107   16.915 7.323544 28.40412 
1 1 1   24   21    0 o  207.847   15.175  565.913   78.220  589.343   85.811  450.794  190.209  211.313   16.390  156.521   45.770 54.79169 48.61564 
1 1 1   24   21    1 o  104.135   17.226  145.936   43.228  136.946   44.849  263.579  162.241  100.233   18.603  122.802   42.936 -22.56883 46.79316 
1 1 1   24   21    2 o  164.654   14.558  353.684   59.243  343.269   62.926  434.931  175.754  161.588   15.796  158.725   43.190 2.863693 45.98806 
1 1 1   24   21    3 o  305.816   16.472  1225.30  125.332  1301.11  143.772  985.360  255.793  313.295   18.458  242.946   43.773 70.34874 47.50533 
1 1 1   24   21    4 o  186.182   32.156  514.731  144.096  514.731  144.096   0.0000   0.0000  186.182   32.156  ?   ?  0.000000 32.15559 
1 1 1   24   21    5 o  105.367   18.101  149.442   45.912  173.826   47.929 -122.1615  159.960  114.119   17.366   70.288   33.420 43.83090 37.66246 
1 1 1   24   21    6 o   84.913   19.342   98.782   40.098  101.309   41.569   64.959  152.074   85.875   19.791   89.444   38.271 -3.569687 43.08499 
1 1 1   24   21    7 o   65.061   20.039   56.695   35.763   55.185   36.907   79.922  144.740   64.474   20.433   90.704   38.003 -26.23018 43.14761 
1 1 1   24   21    8 o   85.287   19.456   99.576   40.521  109.072   42.164 -15.1937  146.584   89.335   19.452   78.100   35.281 11.23497 40.28776 
1 1 1   24   21    9 o  128.651   15.763  217.353   49.580  170.494   51.846  718.546  169.560  112.405   19.158  222.385   31.407 -109.9806 36.78861 
1 1 1   24   21   10 o  243.958   14.793  770.648   89.698  753.982  100.606  835.243  198.064  240.004   16.894  236.697   34.525 3.306763 38.43700 
1 1 1   24   21   11 o  230.168   14.830  686.447   84.787  655.766   94.806  809.025  189.497  223.609   17.108  234.082   33.362 -10.47281 37.49254 
1 1 1   24   21   12 o  124.072   18.633  206.247   55.947  201.693   60.266  234.648  150.500  121.810   20.543  120.446   41.396 1.364044 46.21336 
1 1 1   24   21   13 o  151.787   15.694  301.577   58.627  280.883   63.796  413.993  148.691  145.422   17.948  162.823   37.362 -17.40152 41.44944 
1 1 1   24   21   14 o  286.203   14.486  1059.43  103.198  1030.58  118.923  1147.41  207.654  280.402   17.065  282.770   29.859 -2.368011 34.39140 
1 1 1   24   21   15 o   79.779   20.662   88.053   41.493   96.604   43.825   14.062  128.908   83.451   21.036   77.511   34.168 5.939987 40.12479 
1 1 1   24   21   16 o   77.971   20.722   84.177   41.038   74.275   43.278  172.454  129.223   73.457   21.924  106.120   38.200 -32.66331 44.04442 
1 1 1   24   21   17 o  139.195   16.538  256.143   56.361  284.069   61.766  117.221  137.762  146.338   17.233   95.236   38.143 51.10197 41.85530 
1 1 1   24   21   18 o  120.826   17.268  194.917   50.620  184.990   54.637  255.068  134.495  116.685   19.435  124.676   38.936 -7.990234 43.51712 
1 1 1   24   21   19 o  119.683   12.765  185.927   37.563  150.070   57.028  213.406   49.923  103.286   22.727  126.963   16.109 -23.67651 27.85709 
1 1 1   24   21   20 o   63.059   15.978   53.902   25.192   49.298   44.029   56.143   30.717   62.856   22.332   64.197   18.281 -1.340763 28.86024 
1 1 1   24   21   21 o  159.784   16.588  338.176   65.224  321.954  157.072  341.556   71.697  135.909   42.018  159.611   18.320 -23.70129 45.83799 
1 1 1   24   21   22 o   67.077   17.615   61.659   29.885  315.330  147.957   50.869   30.514  135.440   40.564   61.317   18.434 74.12312 44.55606 
1 1 1   24   21   23 o  134.841   15.226  239.999   50.373  394.165  159.563  222.934   53.087  150.827   41.199  129.128   16.866 21.69836 44.51779 
1 1 1   24   21   24 o   94.013   14.163  117.113   32.219   70.617   54.064  142.721   40.123   72.054   24.808  103.169   16.099 -31.11489 29.57449 
1 1 1   24   21   25 o   69.649   15.456   65.918   26.180  102.853   49.443   51.529   30.861   84.602   22.861   61.461   18.552 23.14108 29.44150 
1 1 1   24   21   26 o   94.541   14.653  119.302   33.475   65.454   56.803  147.954   41.435   70.185   25.319  104.712   16.383 -34.52720 30.15689 
1 1 1   24   21   27 o   85.651   15.007   98.849   30.928  109.442   56.714   94.365   36.897   86.008   24.947   82.274   18.418 3.733513 31.00922 
1 1 1   24   21   28 o   97.430   14.189  126.682   33.507  129.586   60.172  125.376   40.341   92.934   25.264   95.361   17.588 -2.427086 30.78368 
1 1 1   24   21   29 o  109.481   13.769  159.302   36.812  133.215   64.152  172.108   44.949   93.173   26.379  112.451   16.497 -19.27885 31.11310 
1 1 1   24   22    0 o  234.555   15.054  723.091   87.708  769.503   96.959  514.102  205.749  241.048   16.202  161.611   47.701 79.43712 50.37746 
1 1 1   24   22    1 o  103.827   17.423  146.184   43.573  143.141   45.219  185.714  163.000  102.282   18.380  105.767   41.771 -3.485291 45.63556 
1 1 1   24   22    2 o  166.458   15.527  365.295   63.798  369.328   68.307  337.735  178.559  166.747   16.626  134.271   45.102 32.47681 48.06847 
1 1 1   24   22    3 o  263.961   15.130  911.024   99.312  907.646  110.966  924.618  222.617  261.883   17.061  239.214   38.579 22.66835 42.18336 
1 1 1   24   22    4 o  229.703   15.022  689.192   85.691  720.780   93.301  518.914  216.622  234.204   16.050  164.756   49.023 69.44730 51.58313 
1 1 1   24   22    5 o  212.787   30.664  668.528  158.233  668.528  158.233   0.0000   0.0000  212.787   30.664  ?   ?  0.000000 30.66373 
1 1 1   24   22    6 o  169.142   15.711  375.664   65.601  385.333   70.615  314.727  177.273  170.744   16.778  132.581   44.937 38.16280 47.96701 
1 1 1   24   22    7 o   45.950   18.144   17.515   30.752   16.593   31.416   38.645  150.348   45.908   18.272   84.517   37.089 -38.60856 41.34576 
1 1 1   24   22    8 f  228.170   14.761  676.945   83.655  660.547   92.578  749.923  195.301  224.172   16.657  219.492   36.944 4.679855 40.52520 
1 1 1   24   22    9 o  142.970   16.111  269.398   56.518  265.453   60.116  299.432  165.851  141.303   17.405  131.590   43.447 9.712830 46.80366 
1 1 1   24   22   10 o  108.755   18.352  159.627   48.067  159.627   48.067   0.0000   0.0000  108.755   18.352  ?   ?  0.000000 18.35226 
1 1 1   24   22   11 o   58.721   19.744   44.089   34.219   34.255   35.209  211.677  145.347   54.623   19.898  114.313   40.580 -59.69043 45.19618 
1 1 1   24   22   12 o  176.153   17.125  409.981   74.378  379.037   83.002  536.106  167.570  167.524   20.252  184.432   37.658 -16.90805 42.75788 
1 1 1   24   22   13 o  137.475   18.368  253.164   61.481  257.277   66.847  230.590  156.612  137.760   20.018  117.775   42.090 19.98457 46.60745 
1 1 1   24   22   14 f   76.850   20.492   81.872   40.047   84.579   41.809   51.768  139.434   77.996   20.999   84.519   36.414 -6.523201 42.03474 
1 1 1   24   22   15 o   72.086   20.599   71.711   38.931   73.660   40.594   49.357  137.446   72.989   21.087   83.681   36.103 -10.69201 41.80993 
1 1 1   24   22   16 o   64.265   20.561   55.217   37.303   57.736   38.856   25.588  133.288   65.590   20.985   79.311   34.860 -13.72078 40.68908 
1 1 1   24   22   17 o   52.132   19.878   27.797   35.933   26.974   37.328   38.195  132.668   52.338   20.185   80.827   35.169 -28.48944 40.54971 
1 1 1   24   22   18 o  179.012   14.946  419.144   66.199  415.547   73.605  434.371  151.433  177.171   16.839  164.012   37.756 13.15872 41.34062 
1 1 1   24   22   19 o  203.531   15.729  544.101   79.323  575.763   89.798  431.637  169.237  208.251   17.428  158.196   42.100 50.05469 45.56420 
1 1 1   24   22   20 o  220.685   16.946  644.769   92.675  644.769   92.675   0.0000   0.0000  220.685   16.946  ?   ?  0.000000 16.94605 
1 1 1   24   22   21 o  167.302   40.470  473.639  167.233  473.639  167.233   0.0000   0.0000  167.302   40.470  ?   ?  0.000000 40.46957 
1 1 1   24   22   22 o  126.597   16.345  213.731   50.465  227.740  157.259  212.122   53.283  114.188   41.984  125.565   17.466 -11.37704 45.47169 
1 1 1   24   22   23 o  196.287   12.057  497.285   58.811  509.935   87.696  486.947   79.282  194.788   18.241  191.370   16.759 3.418503 24.77107 
1 1 1   24   22   24 o  129.939   12.592  219.826   40.346  206.230   63.341  229.109   52.337  121.162   21.733  130.896   16.369 -9.733994 27.20835 
1 1 1   24   22   25 o  132.202   12.655  227.893   41.267  220.730   65.645  232.572   53.064  125.172   21.793  131.678   16.500 -6.506210 27.33447 
1 1 1   24   22   26 o   95.503   14.900  122.184   34.376   33.048   57.663  171.328   42.816   60.320   24.494  113.084   15.575 -52.76375 29.02654 
1 1 1   24   22   27 f  123.397   13.140  200.170   39.866  156.579   65.202  226.195   50.381  102.176   25.605  129.826   15.870 -27.65033 30.12491 
1 1 1   24   22   28 o  156.774   13.072  322.510   50.710  238.897   79.452  379.983   65.871  126.046   26.101  168.396   15.851 -42.35065 30.53719 
1 1 1   24   23    0 o   90.040   20.092  114.632   44.029  108.881   45.566  195.614  170.992   87.230   21.139  104.291   42.239 -17.06171 47.23330 
1 1 1   24   23    1 o  132.210   16.103  234.113   52.066  241.802   54.575  156.214  173.707  134.081   16.659   99.200   41.601 34.88072 44.81229 
1 1 1   24   23    2 o   64.766   19.722   57.904   34.764   56.566   35.560   86.800  165.235   64.164   20.018   89.735   39.143 -25.57090 43.96435 
1 1 1   24   23    3 o  138.060   15.913  253.740   53.858  251.691   56.609  273.304  174.905  136.963   16.910  120.115   44.259 16.84829 47.37972 
1 1 1   24   23    4 o  218.071   15.352  625.729   83.069  635.146   91.080  579.145  202.573  218.615   16.813  177.125   45.544 41.48943 48.54815 
1 1 1   24   23    5 o   43.317   17.980   9.2956   31.970   9.2956   31.970   0.0000   0.0000   43.317   17.980  ?   ?  0.000000 17.98010 
1 1 1   24   23    6 o  149.058   29.188  330.884  104.758  341.413  125.453  306.630  190.405  146.444   34.816  126.936   46.268 19.50818 57.90395 
1 1 1   24   23    7 o   64.561   19.990   56.666   35.535   59.533   36.402  -1.3678  163.792   65.988   20.199   80.947   36.854 -14.95895 42.02602 
1 1 1   24   23    8 o  168.320   44.422  504.415  189.444   0.0000   0.0000  504.415  189.444  ?   ?   168.320   44.422 0.000000 44.42234 
1 1 1   24   23    9 o   61.837   20.020   50.851   35.286   50.851   35.286   0.0000   0.0000   61.837   20.020  ?   ?  0.000000 20.01999 
1 1 1   24   23   10 o  151.144   15.232  300.237   56.706  299.166   60.223  308.609  168.400  150.335   16.303  131.204   43.801 19.13120 46.73679 
1 1 1   24   23   11 o  133.128   15.957  234.595   51.990  212.437   54.655  445.280  168.533  125.691   17.921  161.698   41.522 -36.00686 45.22451 
1 1 1   24   23   12 o  156.016   16.322  321.930   62.647  332.132   67.600  259.863  166.739  157.880   17.437  121.528   43.430 36.35248 46.79936 
1 1 1   24   23   13 o  153.923   16.837  314.562   63.661  254.423   68.775  674.425  168.237  136.102   20.904  210.798   33.046 -74.69606 39.10286 
1 1 1   24   23   14 o  152.143   15.958  305.657   59.726  300.882   64.040  337.563  165.534  150.184   17.398  137.837   43.221 12.34697 46.59079 
1 1 1   24   23   15 o  135.904   15.747  244.183   52.452  222.494   55.705  413.818  155.788  128.677   17.813  157.414   39.652 -28.73628 43.46920 
1 1 1   24   23   16 o  131.937   16.339  231.351   52.680  210.106   56.122  388.795  152.781  124.555   18.615  152.002   39.786 -27.44675 43.92538 
1 1 1   24   23   17 o  164.179   15.650  355.266   63.387  353.055   69.184  366.823  158.187  162.739   17.289  145.227   41.530 17.51221 44.98486 
1 1 1   24   23   18 o  116.202   17.913  182.546   50.309  183.969   53.728  172.426  143.305  116.025   19.217  103.956   39.683 12.06857 44.09115 
1 1 1   24   23   19 o  249.822   15.932  821.589   98.873  891.489  114.131  611.334  197.942  258.658   17.778  187.032   43.245 71.62619 46.75620 
1 1 1   24   23   20 o  107.372   20.560  160.296   53.119  160.296   53.119   0.0000   0.0000  107.372   20.560  ?   ?  0.000000 20.55980 
1 1 1   24   23   21 o   90.364   37.452  103.225  138.409  103.225  138.409   0.0000   0.0000   90.364   37.452  ?   ?  0.000000 37.45172 
1 1 1   24   23   22 o  111.240   34.423  200.975  105.393  258.213  147.818  141.792  150.309  120.227   41.033   97.422   39.551 22.80424 56.99099 
1 1 1   24   23   23 o  303.660   16.024  1218.96  121.078  1223.90  142.258  1205.98  230.632  300.893   19.031  276.954   34.066 23.93878 39.02093 
1 1 1   24   23   24 f  161.071   17.344  349.163   68.660  352.430   75.890  334.427  161.185  160.476   19.326  133.366   42.748 27.10950 46.91351 
1 1 1   24   23   25 o  184.606   16.326  455.147   74.485  460.607   84.205  435.507  159.696  183.990   18.582  155.880   40.616 28.10944 44.66507 
1 1 1   24   23   26 o  187.175   13.203  458.257   61.314  377.059   91.909  523.375   82.307  162.177   23.369  197.338   16.864 -35.16138 28.81856 
1 1 1   24   23   27 o  158.674   13.415  331.059   52.659  252.336   80.934  388.848   69.343  129.911   25.857  169.889   16.555 -39.97833 30.70312 
1 1 1   24   23   28 o  228.271   12.637  680.916   71.755  632.903  108.160  718.659   95.898  212.393   20.654  230.710   16.760 -18.31616 26.59839 
1 1 1   24   24    0 o  152.750   15.313  312.096   57.623  326.255   60.476  172.574  189.845  155.908   15.749   98.658   42.497 57.25041 45.32169 
1 1 1   24   24    1 o   78.791   20.626   89.084   41.059   88.733   42.270   94.944  172.758   78.470   21.110   89.016   39.381 -10.54618 44.68239 
1 1 1   24   24    2 o   51.123   18.753   30.722   31.349   29.748   31.920   57.206  166.426   50.880   18.877   84.536   37.942 -33.65660 42.37878 
1 1 1   24   24    3 o   47.218   18.240   22.158   30.521   26.524   31.060 -100.3239  164.500   49.263   18.553   69.701   33.347 -20.43734 38.16057 
1 1 1   24   24    4 o   92.731   18.970  119.771   42.448  120.480   43.755  108.423  175.016   92.755   19.509   92.676   40.359 0.7962799E-01 44.82661 
1 1 1   24   24    5 o  167.186   14.800  368.792   61.150  373.967   64.712  325.622  186.893  167.861   15.617  127.104   45.914 40.75681 48.49731 
1 1 1   24   24    6 o   95.498   35.076  143.259  109.726  143.259  109.726   0.0000   0.0000   95.498   35.076  ?   ?  0.000000 35.07570 
1 1 1   24   24    7 o  121.118   45.444  284.581  186.023   0.0000   0.0000  284.581  186.023  ?   ?   121.118   45.444 0.000000 45.44403 
1 1 1   24   24    8 o  149.969   15.168  297.098   56.025  288.788   58.759  380.227  185.834  147.254   16.250  139.849   45.981 7.404144 48.76820 
1 1 1   24   24    9 o  119.089   16.879  190.629   48.790  190.994   50.875  186.440  172.216  118.804   17.688  105.816   42.553 12.98768 46.08264 
1 1 1   24   24   10 f  202.430   15.332  539.187   76.928  566.815   84.073  397.061  190.689  206.816   16.414  143.071   46.556 63.74548 49.36440 
1 1 1   24   24   11 o  122.637   17.282  202.424   51.459  237.479   54.246 -112.7183  162.646  133.304   16.660   69.850   33.347 63.45403 37.27647 
1 1 1   24   24   12 o  162.976   14.807  348.961   59.605  314.214   63.122  634.973  181.098  153.542   16.734  196.820   38.224 -43.27792 41.72642 
1 1 1   24   24   13 o  121.843   17.972  200.895   53.040  154.695   55.794  634.496  170.928  104.650   22.046  200.062   35.514 -95.41231 41.80053 
1 1 1   24   24   14 f   57.390   19.966   41.600   35.060   50.724   36.074 -113.9442  148.946   61.709   20.257   66.690   31.858 -4.981499 37.75346 
1 1 1   24   24   15 o   38.259   16.708  -3.0894   30.182 -14.0108   30.737  291.292  159.579   35.578   16.106  126.673   42.637 -91.09493 45.57743 
1 1 1   24   24   16 o   65.516   20.328   58.801   36.726   63.212   37.907  -8.6927  148.294   67.646   20.594   76.613   34.952 -8.966927 40.56794 
1 1 1   24   24   17 o   67.567   20.585   63.091   37.865   68.755   39.214 -14.9757  145.594   70.235   20.849   75.294   34.458 -5.058578 40.27450 
1 1 1   24   24   18 o   44.316   18.285   11.106   32.783   13.143   33.657 -26.6181  144.846   45.467   18.616   73.777   33.986 -28.30994 38.75082 
1 1 1   24   24   19 o  111.432   18.817  170.204   50.496  180.766   53.632   87.741  149.861  114.580   19.439   88.899   38.013 25.68174 42.69493 
1 1 1   24   24   20 o   39.017   17.355  -8.4686   33.993  -8.4686   33.993   0.0000   0.0000   39.017   17.355  ?   ?  0.000000 17.35494 
1 1 1   24   24   22 o   53.143   20.610   28.723   39.089   25.468   40.670   68.157  141.556   52.565   20.831   84.186   36.479 -31.62122 42.00760 
1 1 1   24   24   23 o  164.954   17.016  365.659   69.088  392.806   76.443  244.611  161.422  170.115   18.282  114.082   42.425 56.03312 46.19626 
1 1 1   24   24   24 o   90.715   21.484  118.008   47.918  124.246   50.777   67.264  144.833   92.763   22.214   83.632   36.559 9.131531 42.77864 
1 1 1   24   24   25 o  145.688   18.682  291.527   66.401  338.011   73.357   80.722  156.217  156.648   19.152   86.190   37.815 70.45844 42.38834 
1 1 1   24   24   26 o   52.645   21.216   24.487   42.910   28.152   45.174  -9.3418  137.243   54.591   21.850   71.907   33.109 -17.31609 39.66911 
1 1 1   24   24   27 o  139.137   18.821  268.470   63.715  259.393   70.122  311.442  152.572  134.728   21.570  124.989   41.691 9.739189 46.94043 
1 1 1   24   24   28 o  132.113   21.074  249.541   67.190  220.791   75.288  362.045  148.932  120.385   25.818  136.104   40.682 -15.71877 48.18342 
1 1 1   24   25    0 o  138.028   15.969  258.521   54.026  253.955   56.173  314.853  197.304  136.174   16.881  114.990   45.784 21.18453 48.79670 
1 1 1   24   25    1 o   90.241   19.377  115.922   42.362  125.565   43.549 -53.6705  182.628   94.121   19.180   74.295   35.432 19.82629 40.28984 
1 1 1   24   25    2 o  133.456   18.381  246.292   59.631  234.865   62.816  350.511  189.699  129.069   20.148  124.832   46.076 4.237167 50.28860 
1 1 1   24   25    3 o  116.354   16.771  184.551   47.323  194.168   49.074   56.963  178.745  119.290   16.951   84.713   38.541 34.57715 42.10425 
1 1 1   24   25    4 o  131.114   15.757  231.048   50.557  215.816   52.478  427.737  188.577  125.870   17.141  142.169   46.299 -16.29893 49.37028 
1 1 1   24   25    5 f  107.197   17.538  157.634   45.325  144.751   46.845  346.504  179.366  101.797   19.130  129.144   45.146 -27.34750 49.03203 
1 1 1   24   25    6 o  141.483   18.396  274.028   63.457  263.076   67.361  360.363  189.129  137.366   20.244  130.757   46.304 6.609283 50.53587 
1 1 1   24   25    7 o   83.413   33.618   93.180  107.749   93.180  107.749   0.0000   0.0000   83.413   33.618  ?   ?  0.000000 33.61823 
1 1 1   24   25    8 f   54.695   19.473   37.119   33.492   33.426   34.103  137.366  177.668   53.259   19.556   96.486   41.327 -43.22699 45.72022 
1 1 1   24   25    9 o  205.476   14.665  555.812   74.753  559.257   80.512  534.284  201.268  205.249   15.831  164.496   46.777 40.75308 49.38346 
1 1 1   24   25   10 o   96.372   18.289  128.073   42.404  132.132   43.753   65.282  172.096   97.775   18.599   87.535   38.985 10.24018 43.19440 
1 1 1   24   25   11 o  111.119   17.511  167.943   46.982  166.453   48.919  185.644  168.592  110.146   18.437  104.120   42.021 6.025719 45.88787 
1 1 1   24   25   12 o   84.888   19.096  100.583   39.499   87.946   40.643  315.776  167.713   78.848   20.464  128.490   43.708 -49.64246 48.26104 
1 1 1   24   25   13 o  114.766   17.369  178.578   48.221  162.733   50.081  380.133  178.620  108.552   19.176  139.969   45.015 -31.41760 48.92909 
1 1 1   24   25   14 o   53.060   19.696   32.146   34.762   29.271   35.615   90.057  159.837   52.182   19.815   89.697   38.815 -37.51525 43.58016 
1 1 1   24   25   15 o  106.335   18.169  154.806   46.512  151.632   48.382  193.506  168.942  104.695   19.214  105.744   42.279 -1.048538 46.44045 
1 1 1   24   25   16 o   57.615   19.899   42.675   34.798   43.054   35.637   34.906  161.290   57.960   20.131   82.940   37.280 -24.98017 42.36778 
1 1 1   24   25   17 f   36.882   16.401  -7.8237   30.339  -9.5595   30.932   36.123  155.637   36.788   16.445   82.177   36.801 -45.38966 40.30848 
1 1 1   24   25   18 o   41.625   17.613   5.3262   31.590   6.2781   32.300 -15.6140  151.488   42.329   17.855   75.545   34.784 -33.21546 39.09911 
1 1 1   24   25   19 o  153.561   15.627  313.452   59.089  294.377   63.123  448.554  167.989  147.690   17.453  157.260   41.988 -9.569870 45.47116 
1 1 1   24   25   20 f   58.852   21.208   43.251   39.841   43.251   39.841   0.0000   0.0000   58.852   21.208  ?   ?  0.000000 21.20799 
1 1 1   24   25   21 o  285.718   34.989  1317.77  244.424  1317.77  244.424   0.0000   0.0000  285.718   34.989  ?   ?  0.000000 34.98862 
1 1 1   24   25   22 o  134.453   17.699  245.955   57.980  220.739   62.044  419.725  162.872  125.581   20.491  150.477   41.832 -24.89606 46.58155 
1 1 1   24   25   23 o  120.675   18.976  201.536   55.296  211.410   59.083  131.838  156.974  123.071   19.904   93.478   39.391 29.59266 44.13465 
1 1 1   24   25   24 o   68.647   22.436   66.509   44.269   59.724   46.273  139.791  152.072   66.092   22.940   93.844   39.105 -27.75204 45.33731 
1 1 1   24   25   25 o   69.969   23.018   69.858   46.565  100.309   49.131 -199.0137  145.993   82.489   22.991   57.981   28.546 24.50804 36.65374 
1 1 1   24   25   26 o   78.682   23.008   91.511   48.067   98.761   50.865   31.003  146.945   81.401   23.630   77.313   35.086 4.088280 42.30139 
1 1 1   24   25   27 o  108.981   21.746  172.667   57.106  188.549   61.923   82.322  147.686  113.332   22.672   83.041   36.591 30.29050 43.04565 
1 1 1   24   26    0 o   48.774   18.313   27.829   30.218   28.926   30.609 -14.3036  189.662   49.376   18.452   75.583   36.063 -26.20707 40.50959 
1 1 1   24   26    1 o   77.540   18.803   86.460   36.033   75.470   36.668  395.751  194.525   72.042   19.779  125.899   46.621 -53.85748 50.64348 
1 1 1   24   26    2 o  129.010   15.955  226.646   50.304  211.607   51.887  461.930  205.230  123.758   17.259  136.528   48.247 -12.76910 51.24078 
1 1 1   24   26    3 o   61.785   20.247   53.322   36.043   54.247   36.792   31.290  179.529   62.266   20.459   80.390   37.315 -18.12360 42.55516 
1 1 1   24   26    4 o  157.997   15.235  334.931   59.364  321.407   62.254  470.522  197.122  153.878   16.456  143.894   47.360 9.984894 50.13702 
1 1 1   24   26    5 o  110.945   17.613  169.961   47.166  186.138   48.884 -48.2183  179.522  116.348   17.356   74.622   35.458 41.72617 39.47768 
1 1 1   24   26    6 o   61.127   19.894   51.486   34.818   58.122   35.513 -113.1471  176.887   64.324   19.994   69.758   33.682 -5.433990 39.16932 
1 1 1   24   26    7 o   90.146   19.043  114.508   41.525  114.508   41.525   0.0000   0.0000   90.146   19.043  ?   ?  0.000000 19.04304 
1 1 1   24   26    8 o   82.541   33.553   93.060  108.347   93.060  108.347   0.0000   0.0000   82.541   33.553  ?   ?  0.000000 33.55334 
1 1 1   24   26    9 o   86.643   19.141  105.743   40.309  105.539   41.316  109.758  183.619   86.339   19.610   91.861   40.622 -5.522736 45.10786 
1 1 1   24   26   10 o  115.681   17.126  182.306   47.978  194.133   49.708   21.297  183.408  119.412   17.163   82.799   38.179 36.61246 41.85938 
1 1 1   24   26   11 o  107.962   17.838  160.099   46.411  163.513   47.994  110.874  182.257  108.879   18.301   92.471   40.702 16.40763 44.62677 
1 1 1   24   26   12 o  105.535   18.469  153.955   46.899  169.240   48.632 -49.1845  177.291  110.910   18.190   75.977   35.843 34.93301 40.19412 
1 1 1   24   26   13 o   75.921   20.178   81.873   38.911   94.328   39.966 -144.8111  170.500   81.630   19.807   67.598   32.742 14.03175 38.26711 
1 1 1   24   26   14 o   93.488   20.401  123.785   46.288  119.652   47.886  182.615  180.670   91.406   21.363  102.331   42.631 -10.92522 47.68434 
1 1 1   24   26   15 o   54.207   19.847   35.121   35.091   27.157   35.856  215.726  170.754   51.257   19.779  107.598   42.671 -56.34130 47.03155 
1 1 1   24   26   16 o   49.406   18.985   25.189   32.936   31.775   33.628 -129.8641  163.167   52.362   19.385   67.220   32.429 -14.85794 37.78166 
1 1 1   24   26   17 o  100.183   19.235  140.005   46.373  139.364   48.107  148.415  174.283   99.517   20.051   97.272   41.276 2.245636 45.88832 
1 1 1   24   26   18 o   84.460   20.902  102.016   43.846  109.985   45.469  -3.6277  165.552   87.683   21.036   78.258   36.151 9.425110 41.82543 
1 1 1   24   26   19 o  111.742   18.918  173.057   50.905  185.219   53.498   56.640  165.516  115.503   19.224   84.541   37.899 30.96231 42.49565 
1 1 1   24   26   20 o   71.037   21.165   71.862   40.358   76.835   41.699  -1.7369  160.417   73.246   21.434   77.275   35.658 -4.029114 41.60373 
1 1 1   24   26   21 o   97.657   38.522  162.941  138.482  162.941  138.482   0.0000   0.0000   97.657   38.522  ?   ?  0.000000 38.52239 
1 1 1   24   26   22 o   90.170   34.220  129.804  106.172  189.267  140.558   50.798  162.019  102.185   39.231   82.540   37.207 19.64464 54.06886 
1 1 1   24   26   23 o  147.508   17.478  296.964   63.130  310.056   68.062  216.316  168.922  149.965   18.572  105.143   42.193 44.82218 46.09908 
1 1 1   24   26   24 o   54.331   21.124   31.813   41.139   23.379   42.712  140.063  153.017   52.034   21.098   92.513   38.933 -40.47920 44.28233 
1 1 1   24   26   25 o   56.065   21.399   36.589   41.668   31.888   43.201   99.329  157.818   54.858   21.555   86.395   37.954 -31.53693 43.64805 
1 1 1   24   26   26 o   91.885   22.489  125.343   51.183  122.124   54.017  153.624  160.098   89.941   23.713   93.101   39.536 -3.160202 46.10243 
1 1 1   24   27    0 o  143.665   15.261  282.937   53.912  277.386   55.683  366.067  215.490  141.604   16.029  109.221   46.096 32.38297 48.80363 
1 1 1   24   27    1 o  108.251   17.425  165.174   45.504  168.242   46.685  106.836  203.578  109.036   17.757   84.436   39.373 24.60003 43.19227 
1 1 1   24   27    2 o  126.251   16.431  220.280   50.573  227.450   52.148  106.883  207.384  128.117   16.696   85.721   39.895 42.39598 43.24755 
1 1 1   24   27    3 o  132.228   16.391  240.504   52.961  239.181   54.853  258.693  203.424  131.316   17.136  102.524   44.075 28.79233 47.28925 
1 1 1   24   27    4 o  101.408   19.897  148.168   48.586  142.291   50.137  238.832  196.919   98.590   21.007  101.705   43.534 -3.115639 48.33742 
1 1 1   24   27    5 o   76.250   20.122   84.654   38.872   84.992   39.705   76.852  190.798   76.272   20.434   84.725   39.021 -8.453224 44.04785 
1 1 1   24   27    6 o   86.473   19.585  107.468   41.311  107.468   41.311   0.0000   0.0000   86.473   19.585  ?   ?  0.000000 19.58525 
1 1 1   24   27    7 o   81.629   20.180   96.396   40.903  105.404   41.923 -81.8822  186.502   85.523   19.989   72.435   34.875 13.08851 40.19768 
1 1 1   24   27    8 o  102.102   18.647  146.357   45.791  146.357   45.791   0.0000   0.0000  102.102   18.647  ?   ?  0.000000 18.64667 
1 1 1   24   27    9 o   78.151   31.373   83.744   93.435  133.684  106.599 -81.8153  194.091   90.009   34.258   74.195   35.686 15.81366 49.46819 
1 1 1   24   27   10 o  124.146   16.867  210.376   50.936  213.506   52.813  168.674  192.762  124.730   17.432   97.434   42.394 27.29607 45.83773 
1 1 1   24   27   11 o  118.605   16.767  191.863   48.275  175.149   49.830  447.218  194.768  112.295   18.407  142.393   47.086 -30.09795 50.55618 
1 1 1   24   27   12 o   75.337   19.728   81.065   37.553   76.079   38.354  196.670  184.679   72.855   20.316  101.736   42.791 -28.88103 47.36912 
1 1 1   24   27   13 o   55.783   19.269   40.616   32.627   37.397   33.186  133.640  178.405   54.440   19.384   93.517   40.736 -39.07713 45.11250 
1 1 1   24   27   14 o  117.423   16.549  187.376   47.180  177.086   48.699  344.688  190.413  113.418   17.779  125.186   46.172 -11.76876 49.47632 
1 1 1   24   27   15 o   93.344   20.868  125.013   47.420  129.041   49.013   66.052  187.515   94.656   21.256   86.785   39.481 7.870529 44.83915 
1 1 1   24   27   16 o  104.682   18.418  152.261   46.387  162.742   48.018   5.7463  179.529  108.301   18.414   80.060   37.213 28.24171 41.51951 
1 1 1   24   27   17 o  111.188   17.593  169.993   47.223  174.240   48.876  110.395  183.097  112.345   18.032   91.151   40.424 21.19363 44.26295 
1 1 1   24   27   18 o  187.068   15.188  466.252   70.337  475.994   75.093  396.567  200.834  188.280   16.127  132.185   47.618 56.09528 50.27502 
1 1 1   24   27   19 o  159.357   15.606  340.410   61.308  332.850   64.949  402.221  185.714  156.683   16.865  136.482   45.996 20.20059 48.99026 
1 1 1   24   27   20 o   89.547   20.296  114.896   44.335  127.376   45.888 -60.2421  171.906   94.533   20.060   72.782   34.617 21.75054 40.00891 
1 1 1   24   27   21 o  113.671   40.273  252.919  143.084  252.919  143.084   0.0000   0.0000  113.671   40.273  ?   ?  0.000000 40.27261 
1 1 1   24   27   22 o   78.219   32.398   79.059  103.485   76.061  133.084   83.645  164.585   81.108   35.257   85.214   38.025 -4.106552 51.85562 
1 1 1   24   27   23 o   93.145   21.105  126.115   47.953  133.130   50.099   49.431  165.636   95.512   21.521   81.026   36.956 14.48561 42.76522 
1 1 1   24   27   24 o   75.390   22.067   83.902   44.195   81.237   45.882  118.177  164.514   74.105   22.676   88.358   38.785 -14.25308 44.92784 
1 1 1   24   27   25 o   46.511   19.544   12.139   38.464   6.4609   39.561  110.250  164.453   45.344   19.464   86.671   38.380 -41.32670 43.03292 
1 1 1   24   27   26 o   41.367   18.519  -8.1867   39.379 -13.2749   40.657   68.966  158.316   40.852   18.506   80.628   36.522 -39.77570 40.94280 
1 1 1   24   28    0 o  147.813   34.775  424.668  126.217  424.668  126.217   0.0000   0.0000  147.813   34.775  ?   ?  0.000000 34.77542 
1 1 1   24   28    1 o  108.777   17.173  168.439   45.101  154.917   46.049  486.820  223.448  103.223   18.546  118.804   48.226 -15.58144 51.66926 
1 1 1   24   28    2 o   90.003   18.637  118.041   40.508  113.787   41.266  230.646  212.298   87.851   19.335   92.896   42.164 -5.045029 46.38529 
1 1 1   24   28    3 o   32.003   14.567 -11.5094   25.571  -9.6889   25.788 -118.3352  197.536   32.656   14.771   67.808   33.350 -35.15161 36.47468 
1 1 1   24   28    4 o   85.615   39.761  121.801  204.248   0.0000   0.0000  121.801  204.248  ?   ?    85.615   39.761 0.000000 39.76084 
1 1 1   24   28    5 o   87.278   19.850  111.591   42.285  111.591   42.285   0.0000   0.0000   87.278   19.850  ?   ?  0.000000 19.84956 
1 1 1   24   28    6 o   85.186   19.225  105.146   39.926  102.323   40.806  168.535  193.354   83.659   19.834   91.889   41.094 -8.230110 45.63010 
1 1 1   24   28    7 o   84.077   19.567  102.621   40.310   97.476   41.183  220.139  196.831   81.499   20.309   98.588   42.867 -17.08848 47.43449 
1 1 1   24   28    8 o  180.194   15.263  438.243   68.033  449.045   71.931  346.609  209.499  181.738   16.013  114.949   46.684 66.78974 49.35410 
1 1 1   24   28    9 o   85.685   33.886  121.506  107.411  121.506  107.411   0.0000   0.0000   85.685   33.886  ?   ?  0.000000 33.88635 
1 1 1   24   28   10 o  161.194   28.982  412.461  112.372  408.329  131.589  423.591  215.964  152.292   35.291  127.229   48.680 25.06353 60.12691 
1 1 1   24   28   11 o   78.405   19.945   89.028   39.143   80.566   39.936  295.837  197.437   74.305   20.735  111.550   45.314 -37.24466 49.83255 
1 1 1   24   28   12 o   38.784   16.663   2.4302   29.043   2.0942   29.371   17.215  194.831   38.865   16.728   80.738   37.929 -41.87316 41.45393 
1 1 1   24   28   13 o  101.318   18.169  143.702   44.280  146.818   45.428   84.409  198.172  102.256   18.470   87.158   40.003 15.09726 44.06126 
1 1 1   24   28   14 o   70.264   20.157   71.142   37.209   75.923   37.936 -50.0211  190.967   72.488   20.202   75.405   36.036 -2.917198 41.31260 
1 1 1   24   28   15 o   81.336   21.200   96.717   43.498  107.455   44.680 -98.2493  190.389   85.881   21.007   72.059   34.829 13.82120 40.67376 
1 1 1   24   28   16 o   83.266   21.257  101.378   44.350  111.209   45.546 -78.5568  194.855   87.345   21.115   74.040   35.648 13.30485 41.43222 
1 1 1   24   28   17 o  169.085   15.083  383.042   63.015  355.722   66.117  653.929  208.191  161.758   16.603  175.973   46.629 -14.21524 49.49683 
1 1 1   24   28   18 o  172.423   15.525  399.946   66.131  386.372   69.638  524.625  211.054  168.457   16.777  148.705   49.008 19.75243 51.79976 
1 1 1   24   28   19 o   46.431   18.693   18.267   33.275   21.972   33.801 -98.0142  189.342   48.017   19.003   71.708   34.677 -23.69033 39.54234 
1 1 1   24   28   20 o  144.773   16.309  285.199   57.933  272.965   60.762  407.499  192.108  140.609   17.697  131.577   46.659 9.032181 49.90263 
1 1 1   24   28   21 o  141.136   17.276  274.165   59.616  274.165   59.616   0.0000   0.0000  141.136   17.276  ?   ?  0.000000 17.27587 
1 1 1   24   28   22 o  112.300   40.110  259.343  142.202  259.343  142.202   0.0000   0.0000  112.300   40.110  ?   ?  0.000000 40.10957 
1 1 1   24   28   23 o   50.792   20.079   26.252   37.700   19.221   38.615  169.468  174.269   48.730   19.945   93.844   40.569 -45.11418 45.20680 
1 1 1   24   28   24 o  124.947   18.653  220.151   56.417  216.674   59.403  252.147  180.215  122.894   20.048  104.290   42.933 18.60406 47.38287 
1 1 1   24   28   25 o   87.903   22.240  116.429   48.857  108.219   50.866  214.281  175.600   84.019   23.385   98.212   41.540 -14.19350 47.66960 
1 1 1   24   29    0 o  103.909   35.306  246.989  109.433  246.989  109.433   0.0000   0.0000  103.909   35.306  ?   ?  0.000000 35.30623 
1 1 1   24   29    1 o   75.603   31.556  107.933   99.252  107.933   99.252   0.0000   0.0000   75.603   31.556  ?   ?  0.000000 31.55550 
1 1 1   24   29    2 o   77.641   19.998   92.167   39.009   95.688   39.616 -20.1877  223.780   79.119   20.032   71.668   35.297 7.450600 40.58459 
1 1 1   24   29    3 o  128.154   34.308  322.488  111.973  386.525  128.809  124.426  226.532  136.529   36.901   81.216   38.929 55.31231 53.63952 
1 1 1   24   29    4 o   53.122   19.218   37.983   32.761   37.983   32.761   0.0000   0.0000   53.122   19.218  ?   ?  0.000000 19.21822 
1 1 1   24   29    5 o   58.045   20.186   47.812   35.836   46.890   36.396   77.114  205.179   57.697   20.325   79.620   37.854 -21.92319 42.96597 
1 1 1   24   29    6 o  144.839   15.714  289.417   55.923  290.965   57.851  267.352  218.431  144.730   16.290   97.045   43.519 47.68525 46.46755 
1 1 1   24   29    7 o   60.949   19.620   53.684   33.928   48.447   34.439  226.212  197.668   58.510   19.807   95.175   42.115 -36.66499 46.53974 
1 1 1   24   29    8 o  138.060   15.818  262.116   53.549  258.202   55.465  315.879  205.554  136.374   16.631  106.327   44.956 30.04710 47.93347 
1 1 1   24   29    9 o   77.903   19.906   89.458   38.868   91.941   39.604   24.466  202.613   78.910   20.056   78.532   37.416 0.3776474 42.45213 
1 1 1   24   29   10 o   81.954   32.884  111.466  102.600  111.466  102.600   0.0000   0.0000   81.954   32.884  ?   ?  0.000000 32.88432 
1 1 1   24   29   11 o   25.240   12.231 -36.4789   23.868 -36.5901   24.036 -28.5784  202.519   25.350   12.282   75.695   36.419 -50.34492 38.43455 
1 1 1   24   29   12 o   34.179   15.299  -7.5340   26.862 -10.9887   27.099  187.609  203.665   33.367   15.112   94.400   42.199 -61.03333 44.82352 
1 1 1   24   29   13 o   70.482   20.072   72.605   37.031   76.293   37.640 -38.6662  206.756   72.183   20.126   76.032   36.636 -3.849091 41.79967 
1 1 1   24   29   14 o   34.973   15.587  -6.4947   27.564  -9.5851   27.823  157.380  202.606   34.269   15.436   91.929   41.508 -57.66067 44.28467 
1 1 1   24   29   15 o   66.043   19.976   63.063   35.751   64.622   36.341   16.169  199.313   66.768   20.127   79.452   37.639 -12.68443 42.68250 
1 1 1   24   29   16 o   46.907   18.513   21.526   31.998   20.475   32.417   61.421  199.700   46.668   18.565   83.172   38.855 -36.50417 43.06272 
1 1 1   24   29   17 o   48.541   18.671   25.760   31.874   25.044   32.255   55.512  207.910   48.390   18.735   83.283   39.142 -34.89294 43.39492 
1 1 1   24   29   18 o   82.154   20.624   99.238   42.248   89.805   43.170  313.154  205.575   77.710   21.513  110.417   45.693 -32.70668 50.50406 
1 1 1   24   29   19 o   89.402   19.936  116.140   43.373  124.940   44.428 -62.6471  200.261   92.927   19.754   73.888   35.715 19.03915 40.81349 
1 1 1   24   29   20 o   92.366   20.341  124.591   45.649  138.866   46.909 -130.6015  198.334   97.978   19.852   69.385   33.981 28.59278 39.35490 
1 1 1   24   29   21 o   59.300   20.845   48.248   38.265   51.579   39.110 -26.3945  185.156   60.812   21.091   74.125   35.441 -13.31255 41.24163 
1 1 1   24   29   22 o  101.558   38.455  213.974  133.890  213.974  133.890   0.0000   0.0000  101.558   38.455  ?   ?  0.000000 38.45511 
1 1 1   24   29   23 o   82.404   21.944  102.607   45.961  105.583   47.406   56.033  187.565   83.374   22.325   80.134   37.507 3.240692 43.64805 
1 1 1   24   30    3 o   69.703   20.244   76.042   37.324   76.042   37.324   0.0000   0.0000   69.703   20.244  ?   ?  0.000000 20.24406 
1 1 1   24   30    4 o   65.115   20.136   65.343   36.071   70.203   36.543 -119.3211  225.239   67.367   20.155   66.216   33.079 1.151672 38.73562 
1 1 1   24   30    5 o   70.562   19.981   76.378   36.804   81.138   37.360 -79.8883  214.059   72.737   19.963   67.858   33.622 4.878349 39.10210 
1 1 1   24   30    6 o   91.383   20.737  127.638   46.236  118.719   47.268  325.337  222.534   87.191   21.774   96.747   43.609 -9.555916 48.74260 
1 1 1   24   30    7 o   47.755   18.455   26.465   31.253   31.583   31.601 -201.7975  211.042   49.993   18.736   63.604   31.811 -13.61095 36.91828 
1 1 1   24   30    8 o   41.355   17.058   12.597   28.516   14.702   28.786 -98.2554  208.852   42.275   17.252   68.562   33.830 -26.28759 37.97535 
1 1 1   24   30    9 o  196.061   15.573  529.521   75.617  566.895   79.949  212.374  232.892  202.441   15.944   89.968   42.006 112.4732 44.93042 
1 1 1   24   30   10 o  161.417   15.648  359.159   62.284  386.410   64.760   23.117  227.411  167.444   15.670   77.768   37.703 89.67647 40.82951 
1 1 1   24   30   11 o   82.961   32.964  124.464  102.084  124.464  102.084   0.0000   0.0000   82.961   32.964  ?   ?  0.000000 32.96365 
1 1 1   24   30   12 o   82.830   19.433  101.011   39.503   96.968   40.171  219.558  217.523   80.766   20.018   93.328   42.483 -12.56186 46.96267 
1 1 1   24   30   13 o   63.671   20.011   59.333   35.462   55.178   35.931  215.387  220.194   61.723   20.215   93.370   42.595 -31.64729 47.14837 
1 1 1   24   30   14 o  118.066   16.442  193.890   47.162  186.345   48.219  360.345  226.471  115.103   17.312  108.409   46.552 6.693596 49.66711 
1 1 1   24   30   15 o   39.201   16.725   5.0818   28.893   8.0843   29.155 -159.7529  216.017   40.365   16.991   68.633   33.965 -28.26779 37.97764 
1 1 1   24   30   16 o   76.009   20.045   85.611   38.593   86.481   39.251   60.320  211.640   76.287   20.262   81.222   38.566 -4.935310 43.56514 
1 1 1   24   30   17 o   75.705   21.279   86.279   41.900   82.597   42.675  184.907  220.869   73.927   21.697   91.494   42.081 -17.56725 47.34544 
1 1 1   24   30   18 o  121.700   17.758  208.888   52.377  221.714   53.832 -18.7942  226.804  125.497   17.666   77.159   37.464 48.33855 41.42019 
1 1 1   24   30   19 o   57.951   20.153   46.678   35.719   49.450   36.240 -47.5837  211.328   59.228   20.316   74.005   35.985 -14.77678 41.32426 
1 1 1   24   30   20 o   69.504   20.891   72.156   39.193   65.367   39.850  273.044  216.781   66.381   21.253   99.634   44.095 -33.25290 48.94945 
1 1 1   24   30   21 o   61.321   20.480   54.263   36.816   50.231   37.392  182.250  210.676   59.585   20.625   90.427   41.408 -30.84229 46.26056 
1 1 1   24   30   22 o   63.656   29.727 -10.9911  116.734 -10.9911  116.734   0.0000   0.0000   63.656   29.727  ?   ?  0.000000 29.72747 
1 1 1   24   31    5 o  125.182   16.814  227.714   51.233  228.049   52.450  220.749  239.242  124.786   17.297   80.104   38.796 44.68186 42.47688 
1 1 1   24   31    6 o   97.550   18.874  143.346   44.315  149.274   45.165  -9.6568  229.471   99.619   18.846   69.646   34.560 29.97327 39.36488 
1 1 1   24   31    7 o   47.540   18.650   26.536   32.292   22.583   32.630  214.492  224.995   46.144   18.534   83.120   39.554 -36.97614 43.68120 
1 1 1   24   31    8 o   28.367   13.387 -22.6654   24.776 -20.8370   24.936 -163.8713  219.135   28.894   13.572   64.094   32.109 -35.20055 34.85931 
1 1 1   24   31    9 o  168.422   15.457  395.877   64.285  401.688   66.787  322.668  237.050  169.021   16.015   93.106   43.097 75.91444 45.97628 
1 1 1   24   31   10 o   99.282   17.603  142.866   42.045  133.658   42.752  414.385  232.144   95.160   18.658  103.577   45.746 -8.417305 49.40416 
1 1 1   24   31   11 o  109.524   17.465  172.450   46.163  175.732   47.117   93.854  230.587  110.399   17.688   79.133   38.268 31.26555 42.15786 
1 1 1   24   31   12 o   63.597   28.695   28.441   96.639   28.441   96.639   0.0000   0.0000   63.597   28.695  ?   ?  0.000000 28.69535 
1 1 1   24   31   13 o   80.026   19.500   95.915   38.611   97.106   39.173   55.309  228.800   80.421   19.669   77.855   37.762 2.566109 42.57721 
1 1 1   24   31   14 o   50.243   18.966   31.405   32.506   32.951   32.839 -43.7186  228.881   50.975   19.100   72.895   35.861 -21.92052 40.63055 
1 1 1   24   31   15 o  109.868   18.114  173.891   47.965  181.064   48.986   7.1712  236.173  112.154   18.108   76.205   37.270 35.94845 41.43569 
1 1 1   24   31   16 o   51.471   19.039   34.192   32.423   33.300   32.734   80.495  235.901   51.166   19.089   80.463   38.861 -29.29755 43.29684 
1 1 1   24   31   17 o   57.414   20.290   46.456   36.297   45.883   36.768   68.384  227.493   57.226   20.400   79.515   38.343 -22.28883 43.43219 
1 1 1   24   31   18 o   93.783   21.233  133.672   48.570  127.877   49.698  257.038  229.285   90.980   22.095   93.312   42.902 -2.331863 48.25710 
1 1 1   24   31   19 o   54.707   19.827   40.624   34.892   41.820   35.282 -12.5502  235.263   55.276   19.952   75.298   36.905 -20.02206 41.95284 
1 1 1   25  -11    0 o   81.226   23.877   94.559   51.645   44.870  199.342   98.135   53.470   90.419   40.967   82.582   24.301 7.837395 47.63229 
1 1 1   25  -10    0 o   77.083   23.580   83.482   49.616  329.624  193.771   66.211   51.327  132.265   46.865   70.451   24.177 61.81438 52.73432 
1 1 1   25  -10    1 o  146.589   19.796  292.630   70.612  559.667  208.564  258.059   75.043  173.875   46.939  135.637   22.976 38.23819 52.26071 
1 1 1   25  -10    2 o  179.468   19.596  437.108   86.396  536.392  219.700  418.946   93.966  164.718   49.451  173.799   22.155 -9.080460 54.18727 
1 1 1   25  -10    3 o  180.928   19.762  446.037   87.833  574.586  226.402  423.262   95.296  168.610   50.105  174.178   22.431 -5.568207 54.89683 
1 1 1   25  -10    4 o  191.785   22.444  514.416  105.458   0.0000   0.0000  514.416  105.458  ?   ?   191.785   22.444 0.000000 22.44438 
1 1 1   25   -9    0 o  131.743   20.248  236.353   64.481  386.017  204.088  219.756   67.963  143.541   48.218  125.788   22.460 17.75290 53.19258 
1 1 1   25   -9    1 o   62.026   22.528   46.390   45.082  105.545  183.893   42.607   46.501   97.585   41.928   61.013   22.754 36.57139 47.70435 
1 1 1   25   -9    2 o  109.827   22.338  169.176   59.179  148.997  186.485  171.436   62.404  103.116   43.165  110.011   23.433 -6.895416 49.11542 
1 1 1   25   -9    3 o  151.481   21.950  317.609   80.613   0.0000   0.0000  317.609   80.613  ?   ?   151.481   21.950 0.000000 21.95008 
1 1 1   25   -9    4 o  162.397   49.627  523.685  219.838  523.685  219.838   0.0000   0.0000  162.397   49.627  ?   ?  0.000000 49.62670 
1 1 1   25   -9    5 o   87.752   23.976  111.450   54.033  144.558  194.183  108.672   56.255  100.765   43.184   86.443   24.780 14.32206 49.78838 
1 1 1   25   -9    6 o   55.800   22.174   29.122   46.199  499.024  207.123   4.5194   47.393  157.534   48.175   49.263   21.227 108.2711 52.64420 
1 1 1   25   -9    7 o   76.261   24.348   83.590   52.328 -72.2048  199.690   95.077   54.223   78.469   37.318   80.711   24.643 -2.242027 44.72054 
1 1 1   25   -8    0 o   52.065   20.525   23.536   39.288  219.986  176.892   13.342   40.295  116.431   44.174   49.122   20.271 67.30893 48.60270 
1 1 1   25   -8    1 o   72.826   23.037   72.427   46.930  125.056  185.025   68.808   48.517  101.462   42.762   71.509   23.494 29.95270 48.79058 
1 1 1   25   -8    2 o  138.902   20.893  263.405   70.225   18.236  195.709  299.637   75.236   89.705   40.622  148.290   20.896 -58.58504 45.68188 
1 1 1   25   -8    3 o  118.145   21.520  193.166   61.151  248.303  188.090  186.649   64.664  119.347   45.486  115.176   23.283 4.170982 51.09867 
1 1 1   25   -8    4 o   82.320   23.562   96.163   50.896  397.049  189.031   72.646   52.848  146.635   46.219   73.096   24.537 73.53872 52.32807 
1 1 1   25   -8    5 o  139.127   20.361  265.034   68.645  366.339  200.091  251.520   73.081  137.650   47.708  134.142   22.621 3.508545 52.79906 
1 1 1   25   -8    6 o   50.175   20.864   13.899   43.160 -65.1557  191.850   18.113   44.295   79.563   37.458   51.911   21.317 27.65153 43.09943 
1 1 1   25   -8    7 o   92.975   23.813  125.112   55.530  257.910  205.075  114.605   57.685  116.411   46.569   88.583   24.991 27.82774 52.85081 
1 1 1   25   -8    8 o  122.666   22.413  213.323   66.127  460.611  208.921  185.791   69.711  149.052   48.742  112.409   25.429 36.64316 54.97618 
1 1 1   25   -8    9 o   71.702   24.426   71.831   52.381  192.139  200.661   63.033   54.263  104.444   44.303   68.766   24.754 35.67780 50.74913 
1 1 1   25   -8   10 o   61.057   23.235   44.110   49.032  116.487  203.723   39.660   50.517   94.272   42.169   59.980   23.383 34.29191 48.21834 
1 1 1   25   -7    0 o   47.395   19.560   11.727   37.521  -4.0053  166.339   12.570   38.514   83.813   37.748   48.153   19.838 35.65989 42.64324 
1 1 1   25   -7    1 o  100.966   21.690  140.971   53.056  104.201  181.052  144.425   55.492   99.297   42.099  101.929   22.411 -2.631660 47.69260 
1 1 1   25   -7    2 o   62.458   22.433   47.103   44.539   0.0000   0.0000   47.103   44.539  ?   ?    62.458   22.433 0.000000 22.43255 
1 1 1   25   -7    3 o  113.181   44.800  202.095  187.895  202.095  187.895   0.0000   0.0000  113.181   44.800  ?   ?  0.000000 44.80005 
1 1 1   25   -7    4 o  156.524   18.856  328.397   72.220  619.144  200.304  284.953   77.428  192.342   42.805  143.770   22.288 48.57167 48.26005 
1 1 1   25   -7    5 o  194.317   18.395  503.627   88.200  827.797  213.146  436.651   96.883  227.522   38.913  178.258   22.249 49.26459 44.82479 
1 1 1   25   -7    6 o  188.649   18.859  477.486   87.653  645.214  211.630  442.755   96.302  191.816   44.964  179.457   21.947 12.35866 50.03434 
1 1 1   25   -7    7 o   57.295   22.205   33.466   45.348  180.551  176.989   23.132   46.914  106.490   43.028   54.537   22.112 51.95327 48.37679 
1 1 1   25   -7    8 o   50.259   20.993   13.086   43.974  195.093  196.885   3.5304   45.114  108.206   44.742   48.149   20.728 60.05664 49.31080 
1 1 1   25   -7    9 o   66.805   23.503   58.820   48.650  146.694  194.089   52.929   50.255  100.491   43.123   64.965   23.756 35.52689 49.23335 
1 1 1   25   -7   10 o   73.373   24.302   75.927   51.873  224.207  198.501   65.059   53.741  109.669   45.092   69.567   24.677 40.10141 51.40321 
1 1 1   25   -7   11 o   53.069   21.954   19.628   47.432  282.563  207.006   5.0586   48.728  115.992   46.650   49.715   21.472 66.27632 51.35488 
1 1 1   25   -7   12 o   71.161   24.747   71.351   53.862 -182.1227  201.826   90.789   55.889   70.272   34.386   78.375   25.177 -8.103416 42.61783 
1 1 1   25   -6    0 o   60.020   19.087   46.906   32.184   30.306   55.633   55.255   39.456   60.631   24.255   65.094   21.177 -4.462463 32.19884 
1 1 1   25   -6    1 o   40.460   17.140   3.1105   29.972  -9.7248   55.873   8.2961   35.514   50.742   22.425   45.321   18.893 5.421112 29.32259 
1 1 1   25   -6    2 o   97.057   18.268  126.928   42.652  107.522   66.583  140.432   55.544   87.450   27.410  100.525   22.667 -13.07556 35.56823 
1 1 1   25   -6    3 o  245.029   18.546  793.241  112.639  964.152  224.079  735.453  130.297  251.844   36.710  232.754   22.707 19.09018 43.16478 
1 1 1   25   -6    4 o  254.410   18.004  853.764  113.640  1321.16  233.575  708.819  130.072  301.256   31.515  227.747   23.194 73.50819 39.13020 
1 1 1   25   -6    5 o  216.770   18.235  622.888   97.790  953.000  219.636  541.268  109.212  249.151   36.373  199.128   22.349 50.02350 42.69037 
1 1 1   25   -6    6 o  129.406   20.025  227.687   62.620  595.524  194.130  184.969   66.156  189.105   42.182  114.453   23.918 74.65170 48.49092 
1 1 1   25   -6    7 o  146.464   19.543  290.211   69.695  446.398  192.625  266.684   74.760  156.867   46.113  138.737   22.337 18.13033 51.23853 
1 1 1   25   -6    8 o  118.134   21.247  193.392   60.373  298.110  192.265  181.937   63.589  126.606   46.441  113.455   23.226 13.15044 51.92521 
1 1 1   25   -6    9 o   67.720   23.472   60.509   48.437  132.986  191.530   55.557   50.064  100.215   42.916   66.166   23.781 34.04947 49.06470 
1 1 1   25   -6   10 o   93.593   24.330  127.215   57.390 -61.0536  192.867  145.505   60.113   79.624   37.509  100.193   24.280 -20.56862 44.68143 
1 1 1   25   -6   11 o  121.049   22.398  207.688   65.211  328.694  207.702  194.456   68.684  125.955   47.847  115.699   24.534 10.25557 53.77055 
1 1 1   25   -6   12 o  137.354   22.415  267.748   74.230  142.876  209.003  285.773   79.407   98.838   43.542  141.315   23.315 -42.47687 49.39118 
1 1 1   25   -6   13 o  111.622   23.537  181.924   63.541  194.176  207.899  180.662   66.734  103.060   44.432  110.350   24.819 -7.290237 50.89427 
1 1 1   25   -6   14 o   84.338   24.945  107.208   56.215  212.965  217.082   99.606   58.200  103.216   44.949   81.289   25.648 21.92747 51.75150 
1 1 1   25   -6   15 o   58.778   23.381   37.221   51.410 -201.4793  212.321   52.087   52.987   69.348   34.198   63.784   24.182 5.564304 41.88391 
1 1 1   25   -5    0 o   48.423   18.435   22.553   30.876   21.802   54.110   22.915   37.597   57.862   23.638   51.490   20.145 6.372425 31.05768 
1 1 1   25   -5    1 o  146.197   16.740  279.983   60.013  206.473  200.859  287.189   62.885  118.362   46.488  147.831   17.365 -29.46920 49.62559 
1 1 1   25   -5    2 o   57.248   22.677   27.823   48.174   8.4418   54.058  102.591  106.175   54.191   22.991   90.331   34.235 -36.14036 41.23856 
1 1 1   25   -5    3 o  311.048   12.974  1237.18  100.772  1239.39  150.060  1235.35  136.001  306.098   19.737  307.197   17.805 -1.098511 26.58099 
1 1 1   25   -5    4 o  102.022   16.136  137.878   39.741   62.466   66.049  180.672   49.755   72.719   27.119  116.487   17.658 -43.76804 32.36120 
1 1 1   25   -5    5 o   78.229   18.650   83.519   35.920  124.918   61.890   62.492   44.108   93.682   25.687   68.627   22.394 25.05498 34.07799 
1 1 1   25   -5    6 o  260.480   12.270  867.856   79.813  825.072  121.670  900.173  105.744  248.673   19.756  262.532   16.209 -13.85846 25.55438 
1 1 1   25   -5    7 o  249.954   14.501  810.237   90.122  1003.83  229.105  774.797   98.024  254.523   37.140  243.273   16.229 11.25040 40.53064 
1 1 1   25   -5    8 o   67.135   22.806   59.140   45.660  319.125  183.800   42.040   47.138  132.987   45.745   61.049   22.882 71.93829 51.14863 
1 1 1   25   -5    9 o   79.607   23.416   89.409   49.654  188.962  179.943   81.203   51.660  108.965   43.610   76.322   24.173 32.64263 49.86189 
1 1 1   25   -5   10 o   52.475   21.084   22.248   42.237  176.174  179.204   13.194   43.461  106.039   43.134   50.192   20.909 55.84707 47.93470 
1 1 1   25   -5   11 o  213.927   18.670  615.534   98.740  1079.91  235.575  516.563  108.755  258.775   37.552  192.289   23.112 66.48630 44.09383 
1 1 1   25   -5   12 o   47.560   20.357   5.3804   43.054  318.254  192.450 -11.1030   44.173  126.594   46.459   44.016   19.666 82.57889 50.45015 
1 1 1   25   -5   13 o   50.769   21.117   15.481   44.232  140.590  194.150   8.6318   45.427   98.322   42.663   49.356   21.012 48.96600 47.55639 
1 1 1   25   -5   14 o  232.168   19.650  740.816  112.853  1075.99  253.180  657.709  126.070  242.911   43.327  214.022   24.002 28.88846 49.53122 
1 1 1   25   -5   15 o   50.576   21.291   14.038   45.779   82.120  209.198   10.613   46.916   90.047   41.245   50.109   21.344 39.93771 46.44006 
1 1 1   25   -5   16 o   80.874   25.200   99.217   56.373  126.278  224.602   97.397   58.238   93.093   42.675   80.078   25.698 13.01487 49.81557 
1 1 1   25   -4    0 o  185.876   13.021  442.165   60.058  358.884   98.883  490.844   75.600  161.969   25.273  194.851   15.669 -32.88185 29.73636 
1 1 1   25   -4    1 o  141.211   21.631  268.257   73.848  268.257   73.848   0.0000   0.0000  141.211   21.631  ?   ?  0.000000 21.63108 
1 1 1   25   -4    2 o  109.146   14.881  155.502   39.501  146.589   63.925  161.008   50.242  102.385   25.178  109.674   19.035 -7.289604 31.56352 
1 1 1   25   -4    3 o  171.296   12.774  376.240   54.251  398.188   84.339  360.750   70.855  173.148   19.865  165.895   17.361 7.253067 26.38234 
1 1 1   25   -4    4 o  116.784   14.149  177.320   40.420  271.750   68.297  126.417   50.144  142.626   19.702   95.917   21.470 46.70903 29.14006 
1 1 1   25   -4    5 o  104.453   15.849  143.969   40.042  119.921   66.605  157.580   50.109   91.966   27.139  108.099   19.269 -16.13273 33.28407 
1 1 1   25   -4    6 o  116.351   14.625  176.923   41.553  212.324   68.936  156.719   52.078  123.911   23.129  107.311   20.175 16.60087 30.69147 
1 1 1   25   -4    7 o  158.137   12.943  322.452   50.663  348.006   80.480  305.679   65.204  160.653   20.530  151.981   17.500 8.671982 26.97665 
1 1 1   25   -4    8 o   85.794   18.019  100.007   37.375  107.208   64.411   96.352   45.891   86.820   26.918   83.114   21.830 3.705482 34.65681 
1 1 1   25   -4    9 o  108.923   15.490  156.911   40.946  126.659   68.504  173.726   51.074   93.374   27.514  113.361   18.694 -19.98673 33.26378 
1 1 1   25   -4   10 f  142.390   13.774  263.965   48.364  284.052   79.282  252.059   61.035  142.880   23.001  137.027   18.294 5.852325 29.38917 
1 1 1   25   -4   11 o  206.799   19.313  575.442   98.583  557.917  212.413  580.254  111.295  173.405   47.604  205.500   22.031 -32.09453 52.45537 
1 1 1   25   -4   12 o  100.391   22.568  143.034   55.201  425.717  198.260  119.279   57.473  148.490   47.390   90.729   24.702 57.76156 53.44212 
1 1 1   25   -4   13 o   74.301   23.566   77.785   49.083  264.051  195.118   65.202   50.714  117.735   45.940   69.548   24.023 48.18671 51.84182 
1 1 1   25   -4   14 o  144.919   20.816  291.834   73.168  293.966  211.945  291.546   77.961  119.558   47.500  143.703   22.460 -24.14492 52.54205 
1 1 1   25   -4   15 o  151.171   20.966  319.601   77.017  313.892  216.154  320.431   82.427  119.937   47.868  150.040   22.710 -30.10326 52.98211 
1 1 1   25   -4   16 o   45.293   19.889  -2.1275   43.296 -172.6932  204.220   5.8998   44.303   71.134   34.762   47.801   20.560 23.33364 40.38658 
1 1 1   25   -4   17 o   41.677   18.941 -16.4979   43.021   51.042  211.651 -19.4085   43.938   86.197   40.178   41.540   18.980 44.65733 44.43595 
1 1 1   25   -3    0 o  183.452   14.802  433.058   67.231  634.140  183.538  401.895   72.253  208.495   36.586  175.999   16.637 32.49574 40.19112 
1 1 1   25   -3    1 o  137.696   13.439  243.788   45.623  273.846   72.736  224.292   58.579  143.253   20.952  130.345   18.518 12.90804 27.96219 
1 1 1   25   -3    2 o  140.029   13.299  252.065   45.946  249.528   71.775  253.827   59.805  136.141   21.851  139.058   17.617 -2.916580 28.06865 
1 1 1   25   -3    3 f  145.356   13.076  271.399   46.955  298.787   74.492  253.344   60.483  149.710   20.461  138.731   17.874 10.97966 27.16880 
1 1 1   25   -3    4 o  217.096   12.371  601.878   66.792  575.763  101.968  621.503   88.395  208.748   19.798  218.859   16.290 -10.11072 25.63844 
1 1 1   25   -3    5 o   66.720   19.361   59.779   34.154   57.219   57.701   61.159   42.374   69.609   25.455   68.170   21.925 1.438705 33.59592 
1 1 1   25   -3    6 o   67.223   19.006   60.987   33.326   48.979   58.379   66.792   40.590   67.016   25.389   70.382   21.284 -3.365784 33.12971 
1 1 1   25   -3    7 o  325.734   12.864  1357.09  104.641  1394.72  156.243  1326.49  140.911  324.899   19.345  318.167   17.807 6.732635 26.29295 
1 1 1   25   -3    8 o   68.720   19.415   64.218   34.788   39.510   59.217   77.239   42.987   64.138   25.226   74.956   21.713 -10.81887 33.28331 
1 1 1   25   -3    9 o  252.197   12.415  813.966   78.187  863.492  119.920  777.346  103.118  255.075   18.962  243.321   17.079 11.75386 25.51977 
1 1 1   25   -3   10 o  198.014   12.494  504.339   61.464  503.169   97.255  505.117   79.311  193.152   20.476  196.158   16.340 -3.006073 26.19611 
1 1 1   25   -3   11 o  144.342   13.439  270.533   47.884  207.527   78.029  308.595   60.647  119.666   26.780  153.003   16.115 -33.33673 31.25506 
1 1 1   25   -3   12 f  140.541   13.426  256.944   46.546  233.812   75.498  271.127   59.118  128.349   24.448  142.779   16.909 -14.43002 29.72604 
1 1 1   25   -3   13 o   86.205   17.481  101.358   36.344  132.535   62.969   85.784   44.504   95.238   25.826   78.007   21.932 17.23096 33.88171 
1 1 1   25   -3   14 o  223.690   19.526  678.193  107.976  770.608  237.030  653.994  121.292  203.142   47.564  216.661   22.758 -13.51923 52.72799 
1 1 1   25   -3   15 o   93.769   23.371  127.384   54.530  303.230  204.126  113.871   56.586  122.015   47.161   88.123   24.714 33.89197 53.24399 
1 1 1   25   -3   16 o   64.944   23.395   54.978   48.475 -150.1241  201.839   67.533   49.937   73.163   35.482   69.813   23.849 3.349815 42.75217 
1 1 1   25   -3   17 o   88.039   24.203  115.304   54.861  147.449  212.957  113.019   56.778   97.396   43.372   86.878   24.893 10.51791 50.00804 
1 1 1   25   -3   18 o   96.515   24.437  140.312   58.957  159.995  219.642  138.784   61.203   96.806   43.509   95.446   25.278 1.359978 50.31860 
1 1 1   25   -2    0 o   92.274   24.517  116.979   57.456  116.979   57.456   0.0000   0.0000   92.274   24.517  ?   ?  0.000000 24.51726 
1 1 1   25   -2    1 f  159.780   12.360  325.832   48.935  354.438   76.202  305.756   63.837  164.402   18.905  153.287   16.961 11.11482 25.39875 
1 1 1   25   -2    2 o  114.447   14.135  169.508   39.539  176.419   63.723  165.181   50.419  113.717   23.225  111.511   18.773 2.206642 29.86348 
1 1 1   25   -2    3 o  161.737   12.585  334.455   50.430  353.367   78.349  321.078   65.895  163.663   19.558  156.912   17.093 6.751205 25.97491 
1 1 1   25   -2    4 o  258.353   12.226  848.314   78.878  838.540  118.228  856.155  105.890  253.216   18.832  257.177   16.576 -3.961273 25.08829 
1 1 1   25   -2    5 o   64.907   18.777   56.244   32.167   18.388   55.198   75.712   39.583   57.419   23.712   74.694   20.568 -17.27549 31.38999 
1 1 1   25   -2    6 f   56.576   19.043   39.843   31.833   27.487   55.549   45.884   38.844   59.953   24.147   61.009   21.027 -1.056129 32.01903 
1 1 1   25   -2    7 f  288.481   12.571  1061.68   90.563  1093.56  136.014  1036.29  121.381  288.342   18.996  281.862   17.329 6.480255 25.71271 
1 1 1   25   -2    8 o  143.912   13.033  266.925   46.328  231.577   74.331  289.379   59.242  129.351   23.892  148.660   16.221 -19.30977 28.87841 
1 1 1   25   -2    9 o  232.684   12.734  694.550   73.712  608.630  112.264  759.663   97.730  212.643   21.434  241.350   16.311 -28.70680 26.93461 
1 1 1   25   -2   10 o   83.841   18.090   95.488   36.762   30.881   63.136  128.628   45.218   62.898   25.596   97.181   19.313 -34.28281 32.06476 
1 1 1   25   -2   11 o  166.720   12.483  357.908   51.593  367.335   81.924  351.712   66.419  164.951   20.318  163.444   16.499 1.506912 26.17340 
1 1 1   25   -2   12 o   76.092   18.353   79.370   34.471   89.833   59.903   74.190   42.148   80.198   26.093   73.250   21.581 6.947968 33.86169 
1 1 1   25   -2   13 o  176.035   12.452  399.735   54.384  381.443   87.324  411.325   69.510  166.862   21.454  176.822   15.913 -9.959808 26.71091 
1 1 1   25   -2   14 f   91.731   16.828  113.747   37.127  118.755   63.784  111.180   45.659   90.146   26.545   89.078   20.888 1.068336 33.77832 
1 1 1   25   -2   15 o  130.077   13.938  221.890   44.568  126.047   73.538  277.531   56.031   91.764   28.813  144.709   15.760 -52.94427 32.84157 
1 1 1   25   -2   16 o   93.128   19.672  121.085   44.315  349.891  202.767  109.608   45.413  130.270   47.707   87.956   20.971 42.31405 52.11252 
1 1 1   25   -2   17 o  115.239   21.891  188.839   60.692  545.376  214.656  157.860   63.274  161.452   48.973  103.389   24.822 58.06293 54.90401 
1 1 1   25   -2   18 o  100.436   23.798  148.769   58.772   87.707  216.552  153.624   61.064   91.921   42.052  101.752   24.356 -9.831474 48.59604 
1 1 1   25   -2   19 o  114.543   23.223  192.713   64.153  211.894  229.378  191.085   66.819  102.362   45.327  113.206   24.359 -10.84406 51.45793 
1 1 1   25   -1    0 o  199.993   17.523  518.124   86.633  528.295  107.994  499.764  145.101  199.936   21.994  188.931   31.890 11.00485 38.73924 
1 1 1   25   -1    1 o  165.289   17.878  355.826   72.617  333.837   87.956  402.904  128.697  157.971   22.969  169.239   31.615 -11.26729 39.07791 
1 1 1   25   -1    2 o  163.251   17.722  347.248   71.086  291.688   85.621  470.501  127.527  146.846   24.192  184.817   28.552 -37.97101 37.42259 
1 1 1   25   -1    3 o  119.335   21.437  191.438   61.533  210.788   73.063  144.227  114.124  124.169   24.433  102.827   36.008 21.34190 43.51473 
1 1 1   25   -1    4 f  122.203   21.368  200.795   62.832  255.956   75.053   71.561  114.878  137.797   22.594   86.579   34.777 51.21777 41.47175 
1 1 1   25   -1    5 o   74.116   24.405   71.704   52.342   53.425   60.381  126.965  104.989   69.434   25.922   97.193   34.491 -27.75911 43.14582 
1 1 1   25   -1    6 o  121.016   20.057  196.140   58.491  233.378   69.150  102.507  109.652  131.484   21.826   91.629   34.775 39.85545 41.05728 
1 1 1   25   -1    7 f   67.403   19.627   60.914   35.043   89.632   58.671   44.987   43.694   81.233   25.765   61.913   22.221 19.31992 34.02311 
1 1 1   25   -1    8 o  135.995   13.597  238.855   45.556  194.272   71.952  268.685   58.854  117.902   25.202  143.128   16.785 -25.22620 30.28034 
1 1 1   25   -1    9 o  146.282   13.188  275.833   47.656  218.370   75.392  314.073   61.502  125.024   25.021  155.016   16.124 -29.99152 29.76625 
1 1 1   25   -1   10 o   93.042   16.145  115.142   36.152   95.268   59.165  126.983   45.669   82.798   25.819   96.583   19.605 -13.78591 32.41893 
1 1 1   25   -1   11 o  199.403   12.193  509.841   60.421  482.689   94.576  528.565   78.537  189.701   20.279  201.309   15.748 -11.60876 25.67573 
1 1 1   25   -1   12 o  187.906   12.232  453.529   57.084  517.392   90.818  411.819   73.394  197.234   18.661  176.833   16.823 20.40137 25.12479 
1 1 1   25   -1   13 o   40.040   16.895   4.2314   28.937   39.681   53.812 -10.1890   34.322   62.238   24.170   39.032   17.395 23.20652 29.77862 
1 1 1   25   -1   14 o   52.957   19.007   33.041   31.969   42.179   58.056   29.065   38.299   64.027   25.038   53.476   20.491 10.55045 32.35375 
1 1 1   25   -1   15 o  141.206   13.050  259.065   45.495  246.509   75.059  266.356   57.199  132.188   23.604  141.599   16.485 -9.411285 28.79097 
1 1 1   25   -1   16 o  197.464   12.462  504.126   61.135  408.442   96.902  567.395   78.797  170.534   23.369  207.769   15.295 -37.23518 27.92951 
1 1 1   25   -1   17 o   66.144   19.253   60.616   33.727   73.697   59.706   54.486   40.872   73.466   26.016   63.856   21.578 9.609867 33.80004 
1 1 1   25   -1   18 o   78.460   18.817   86.230   36.393   60.643   63.690   98.634   44.346   69.555   26.478   83.018   21.289 -13.46253 33.97540 
1 1 1   25   -1   19 o   94.950   19.868  127.453   45.595  346.528  227.175  118.258   46.542  121.681   48.894   90.834   20.946 30.84666 53.19217 
1 1 1   25   -1   20 f  164.109   21.762  384.281   86.982  135.531  247.826  419.228   92.891   95.739   44.228  170.981   22.286 -75.24191 49.52508 
1 1 1   25    0    0 o  210.004   17.146  569.344   89.134  505.246  109.539  694.969  153.349  195.254   22.900  226.567   27.680 -31.31262 35.92474 
1 1 1   25    0    1 o  185.539   17.304  445.684   79.248  368.039   95.384  618.730  142.396  165.865   23.703  213.719   27.305 -47.85365 36.15796 
1 1 1   25    0    2 o  198.527   17.391  510.301   85.349  509.509  106.465  511.726  142.775  196.267   22.108  191.891   30.840 4.375778 37.94503 
1 1 1   25    0    3 f  104.574   22.532  148.488   57.104  179.640   66.800   63.936  110.052  114.717   24.085   84.551   34.011 30.16621 41.67579 
1 1 1   25    0    4 f  191.755   17.581  477.623   83.247  469.881  103.394  491.890  140.363  187.929   22.478  187.402   31.083 0.5267487 38.35884 
1 1 1   25    0    5 o  114.527   22.127  177.563   60.992  116.391   70.802  353.568  120.096   91.908   28.176  157.742   31.590 -65.83414 42.32989 
1 1 1   25    0    6 o  127.155   20.838  216.569   63.873  251.064   77.129  141.275  113.951  135.926   23.578  101.642   35.947 34.28427 42.98970 
1 1 1   25    0    7 o   76.061   24.356   76.966   52.333   46.186   60.718  165.894  103.205   67.235   25.791  107.205   34.189 -39.97018 42.82656 
1 1 1   25    0    8 o  206.859   17.601  558.791   90.058  501.250  113.609  656.088  147.733  192.170   24.212  217.543   27.833 -25.37230 36.88982 
1 1 1   25    0    9 o  146.682   18.717  285.047   66.996  248.726   80.968  363.906  119.304  133.880   25.142  158.766   31.204 -24.88573 40.07268 
1 1 1   25    0   10 o   66.667   23.605   54.635   49.148   50.585   57.373   65.800   95.265   67.245   25.236   80.017   31.828 -12.77138 40.61869 
1 1 1   25    0   11 o  190.063   16.201  471.607   76.161  417.615   93.251  579.781  131.993  175.789   21.704  203.898   26.553 -28.10886 34.29449 
1 1 1   25    0   12 o  121.409   13.914  191.843   41.424  238.591   68.420  164.791   52.048  132.221   21.458  110.231   19.628 21.98954 29.08043 
1 1 1   25    0   13 o  197.395   12.128  500.009   59.494  513.251   93.502  491.000   77.118  196.024   19.354  193.640   16.094 2.384460 25.17128 
1 1 1   25    0   14 o   62.774   19.153   52.966   32.762   25.883   57.188   66.196   39.971   59.366   24.282   69.603   21.137 -10.23676 32.19334 
1 1 1   25    0   15 o  264.237   12.364  895.947   81.586  851.777  126.146  927.708  106.969  251.357   20.269  265.915   16.186 -14.55753 25.93904 
1 1 1   25    0   16 o  246.676   12.510  784.384   76.808  721.226  119.853  828.401  100.055  229.990   21.104  251.014   16.046 -21.02376 26.51114 
1 1 1   25    0   17 o   68.057   19.041   64.062   33.631   67.905   60.521   62.346   40.452   72.021   26.111   67.432   21.394 4.589340 33.75622 
1 1 1   25    0   18 o  174.176   12.486  393.521   53.946  349.313   87.811  420.321   68.370  157.281   23.041  178.264   15.513 -20.98297 27.77651 
1 1 1   25    0   19 o  189.229   12.492  465.358   58.695  470.258   96.730  462.503   73.844  183.444   21.525  186.325   16.027 -2.880997 26.83610 
1 1 1   25    0   20 o   69.461   21.941   68.517   42.581   0.0000   0.0000   68.517   42.581  ?   ?    69.461   21.941 0.000000 21.94067 
1 1 1   25    1    0 o   37.477   15.924   1.1192   25.996 -23.7666   47.196   11.957   31.146   44.018   19.940   44.638   18.045 -0.6198235 26.89259 
1 1 1   25    1    1 o  176.449   11.984  395.629   52.492  414.596   79.548  381.000   69.862  178.721   18.072  171.813   16.485 6.907867 24.46166 
1 1 1   25    1    2 o  166.864   12.423  354.573   51.397  345.140   77.473  361.988   68.689  162.337   19.501  167.330   16.660 -4.992630 25.64853 
1 1 1   25    1    3 o  184.945   12.559  435.510   57.657  370.563   86.824  486.744   77.115  167.497   21.235  194.424   16.026 -26.92645 26.60337 
1 1 1   25    1    4 o  135.045   12.837  233.440   42.769  198.839   66.531  257.810   55.835  121.365   22.789  141.018   16.147 -19.65372 27.92964 
1 1 1   25    1    5 f  246.055   11.707  766.720   71.934  743.139  107.778  785.662   96.598  239.267   18.174  247.222   15.729 -7.955368 24.03533 
1 1 1   25    1    6 o  212.190   12.831  574.190   67.667  472.328  100.365  659.079   91.622  188.690   21.695  225.958   16.348 -37.26749 27.16479 
1 1 1   25    1    7 o  252.788   12.558  812.187   79.271  844.381  118.207  785.876  106.862  254.411   18.738  246.070   17.505 8.340576 25.64231 
1 1 1   25    1    8 o   91.677   16.354  111.237   36.066  104.784   57.232  115.488   46.449   87.147   24.998   92.174   20.688 -5.026253 32.44827 
1 1 1   25    1    9 o   29.717   13.845 -22.2793   25.083   15.668   47.949 -36.5760   29.431   53.664   22.125   29.971   14.274 23.69312 26.32972 
1 1 1   25    1   10 o   54.554   18.644   36.413   30.518   68.731   52.103   19.535   37.654   72.616   24.363   50.264   20.005 22.35245 31.52382 
1 1 1   25    1   11 o  108.755   15.445  155.323   40.766  155.339   68.491  155.314   50.731  104.654   26.252  107.210   19.674 -2.555405 32.80639 
1 1 1   25    1   12 o  254.370   17.036  845.923  107.590  736.181  141.510  996.269  165.633  231.463   24.873  269.521   24.891 -38.05753 35.18799 
1 1 1   25    1   13 o  127.681   19.589  219.730   60.463  128.870   73.257  413.887  107.087   94.519   28.596  172.100   25.706 -77.58128 38.45111 
1 1 1   25    1   14 o  201.281   16.977  532.958   84.538  442.934  108.736  670.519  134.414  178.134   25.143  219.822   24.927 -41.68837 35.40532 
1 1 1   25    1   15 o  104.225   21.617  150.907   54.417  151.264   66.251  150.166   95.405  102.442   25.887  100.006   32.949 2.436188 41.90225 
1 1 1   25    1   16 o  203.979   12.231  535.338   62.016  519.212   98.617  545.886   79.762  195.799   20.472  204.012   15.779 -8.213165 25.84722 
1 1 1   25    1   17 o  221.939   12.387  634.932   68.376  579.310  108.182  671.934   88.235  205.747   21.367  226.203   15.718 -20.45650 26.52590 
1 1 1   25    1   18 o  236.986   12.529  725.633   73.883  590.848  115.860  818.005   95.914  205.855   22.928  249.492   15.471 -43.63741 27.65951 
1 1 1   25    1   19 o  104.950   15.514  147.371   39.432   51.985   65.808  200.803   49.254   67.888   26.627  122.274   16.556 -54.38671 31.35445 
1 1 1   25    1   20 o  226.359   15.204  677.433   85.444  751.966  266.686  668.907   90.199  181.244   54.499  224.064   16.230 -42.82014 56.86470 
1 1 1   25    1   21 o  131.892   14.211  230.699   46.067  226.148   79.607  232.990   56.485  122.068   26.846  130.470   17.801 -8.402710 32.21156 
1 1 1   25    2    0 f   95.312   15.133  118.373   34.814  121.821   55.931  116.192   44.481   94.672   23.710   93.248   19.719 1.424088 30.83793 
1 1 1   25    2    1 o  238.383   11.579  718.011   68.927  694.888  101.282  737.960   94.072  232.113   17.605  239.976   15.786 -7.862503 23.64577 
1 1 1   25    2    2 f  171.704   12.106  374.789   51.576  402.891   78.038  352.996   68.724  176.226   17.985  165.219   16.895 11.00772 24.67590 
1 1 1   25    2    3 o  235.107   12.115  701.370   70.887  646.309  104.076  749.017   96.815  223.134   18.855  241.511   16.146 -18.37646 24.82318 
1 1 1   25    2    4 o  211.506   11.972  567.961   62.971  549.123   94.131  583.220   84.720  205.601   18.533  212.951   16.049 -7.349594 24.51656 
1 1 1   25    2    5 o  300.158   12.445  1142.22   93.281  1006.69  135.712  1263.58  128.427  278.038   19.673  313.532   16.461 -35.49426 25.65122 
1 1 1   25    2    6 o  205.112   12.092  534.993   61.664  423.697   91.712  626.818   83.304  179.174   20.890  220.954   15.190 -41.78041 25.82850 
1 1 1   25    2    7 o  167.726   12.358  358.879   51.397  322.209   77.824  387.245   68.448  156.005   20.471  173.050   16.021 -17.04443 25.99467 
1 1 1   25    2    8 o  101.580   14.700  134.497   36.205  137.301   58.009  132.708   46.339   99.901   23.624   99.479   19.350 0.4222412 30.53728 
1 1 1   25    2    9 o  283.711   12.451  1023.65   88.216  954.242  129.916  1083.04  120.166  269.834   19.410  289.294   16.705 -19.46008 25.60865 
1 1 1   25    2   10 o   85.657   17.153   98.068   35.411   78.353   57.970  109.803   44.726   77.111   25.697   89.806   20.407 -12.69534 32.81469 
1 1 1   25    2   11 o   70.203   17.988   66.569   31.677   95.782   54.219   51.429   39.032   83.275   24.461   63.417   21.084 19.85835 32.29322 
1 1 1   25    2   12 o  120.584   13.468  188.305   39.863  200.557   65.025  180.929   50.456  120.989   22.345  116.612   17.899 4.377342 28.62976 
1 1 1   25    2   13 o  119.383   13.691  185.081   40.079  196.389   65.704  178.379   50.579  119.233   22.900  115.552   18.125 3.681023 29.20428 
1 1 1   25    2   14 o  166.232   12.268  354.931   50.568  410.308   81.244  319.911   64.608  175.637   18.816  155.844   16.871 19.79355 25.27200 
1 1 1   25    2   15 o   67.253   19.687   61.482   35.175   85.169   60.638   49.468   43.184   78.860   26.282   63.008   22.145 15.85149 34.36772 
1 1 1   25    2   16 o  144.951   18.634  281.681   65.887  262.793   83.155  313.540  107.995  136.124   25.397  145.182   30.745 -9.057144 39.87806 
1 1 1   25    2   17 o  263.784   17.849  922.586  116.882  891.429  159.027  959.191  172.370  251.697   25.660  259.649   26.978 -7.952316 37.23262 
1 1 1   25    2   18 o   89.396   23.410  114.265   52.878  100.531   66.858  137.206   86.410   83.706   27.583   95.378   31.354 -11.67234 41.76022 
1 1 1   25    2   19 o  142.936   13.714  267.132   48.350  201.794   84.037  299.462   59.113  115.328   29.162  150.226   16.004 -34.89857 33.26508 
1 1 1   25    2   20 o  193.317   20.665  514.940   98.213  514.940   98.213   0.0000   0.0000  193.317   20.665  ?   ?  0.000000 20.66463 
1 1 1   25    2   21 o   71.097   19.102   71.037   34.637   93.604   63.652   61.544   41.284   79.910   26.928   66.612   21.662 13.29769 34.55904 
1 1 1   25    2   22 o   62.027   19.497   53.296   33.663   2.8313   62.623   73.804   39.922   54.380   23.899   71.787   20.962 -17.40698 31.78900 
1 1 1   25    3    0 o  124.819   13.392  199.675   41.090  153.246   62.407  235.204   54.592  106.227   24.082  134.730   16.576 -28.50256 29.23490 
1 1 1   25    3    1 o  222.742   11.400  628.051   63.199  624.747   92.565  630.937   86.497  220.351   16.952  221.906   15.711 -1.554764 23.11303 
1 1 1   25    3    2 o   52.193   17.850   32.410   27.972   59.843   47.930   18.240   34.447   69.343   23.367   48.720   19.215 20.62262 30.25237 
1 1 1   25    3    3 o  172.834   12.621  380.254   54.096  294.078   79.950  453.019   73.466  148.794   22.196  187.752   15.817 -38.95859 27.25493 
1 1 1   25    3    4 o  248.236   12.368  780.298   76.666  744.126  112.219  811.958  104.987  239.517   18.916  251.215   16.833 -11.69769 25.32109 
1 1 1   25    3    5 o  269.675   12.323  921.216   82.989  866.226  121.641  969.100  113.510  258.355   18.987  274.524   16.636 -16.16882 25.24457 
1 1 1   25    3    6 o  181.539   12.084  419.207   54.470  344.362   80.886  481.316   73.682  161.617   20.503  193.517   15.374 -31.90001 25.62659 
1 1 1   25    3    7 o  158.554   12.345  320.659   48.493  299.487   73.218  337.203   64.723  150.663   19.951  161.391   16.282 -10.72722 25.75198 
1 1 1   25    3    8 o  117.187   13.795  177.241   39.596  142.943   62.599  200.116   51.123  101.747   24.851  123.634   17.009 -21.88718 30.11481 
1 1 1   25    3    9 o  216.858   12.028  598.593   64.881  564.851   97.097  625.814   87.210  207.747   18.924  220.175   15.970 -12.42801 24.76204 
1 1 1   25    3   10 o  108.544   14.486  153.252   38.286  115.995   60.513  178.119   49.439   91.384   25.532  116.137   17.598 -24.75346 31.00933 
1 1 1   25    3   11 o  276.348   12.608  972.793   87.010  919.884  129.345  1016.53  117.594  264.336   19.737  279.836   16.907 -15.50052 25.98870 
1 1 1   25    3   12 o   43.654   17.321   14.383   28.147  -6.4070   49.726   24.185   34.144   48.691   21.350   50.454   19.344 -1.763000 28.80970 
1 1 1   25    3   13 o   65.827   18.272   58.431   31.099   33.519   53.629   71.051   38.172   60.852   23.983   72.246   20.311 -11.39388 31.42805 
1 1 1   25    3   14 o  173.356   12.317  385.551   52.976  381.676   82.802  388.236   68.929  168.875   20.025  172.303   16.210 -3.428558 25.76372 
1 1 1   25    3   15 o   92.969   15.886  114.960   35.557  141.773   61.080  101.216   43.731  100.052   24.616   85.598   20.688 14.45399 32.15466 
1 1 1   25    3   16 o  111.139   14.313  161.773   38.800  119.958   64.312  185.703   48.652   91.408   26.581  118.143   16.979 -26.73479 31.54068 
1 1 1   25    3   17 o  109.766   15.123  158.950   40.352   62.393   66.176  216.099   50.911   72.080   27.093  127.741   16.334 -55.66090 31.63585 
1 1 1   25    3   18 o  104.161   15.220  143.768   38.420  187.098   66.325  121.884   47.134  114.864   23.901   93.598   20.714 21.26595 31.62783 
1 1 1   25    3   19 o  148.226   30.115  329.764  107.668   0.0000   0.0000  329.764  107.668  ?   ?   148.226   30.115 0.000000 30.11516 
1 1 1   25    3   20 o   73.330   24.541   74.615   52.866  132.104   66.431 -24.6706   87.301   94.275   26.897   59.091   26.904 35.18386 38.04296 
1 1 1   25    3   21 o   74.196   23.390   78.248   48.410   94.253   61.917   53.078   77.647   80.500   26.545   70.574   28.505 9.926407 38.95100 
1 1 1   25    3   22 o  141.477   13.176  262.461   46.016  256.413   78.258  265.658   56.890  132.545   24.548  140.475   16.534 -7.929733 29.59660 
1 1 1   25    3   23 o  147.452   13.049  285.666   47.554  244.512   81.821  306.657   58.436  126.935   26.661  151.176   15.709 -24.24102 30.94454 
1 1 1   25    4    0 o  215.197   12.250  587.388   65.557  544.756   95.478  625.415   90.173  205.024   18.860  220.711   16.480 -15.68655 25.04552 
1 1 1   25    4    1 o  248.423   11.948  779.940   74.118  789.739  108.058  771.234  101.855  247.675   17.586  245.088   16.742 2.586792 24.28076 
1 1 1   25    4    2 o   67.273   17.656   60.124   30.035   55.513   50.748   62.610   37.261   68.356   24.007   68.929   20.287 -0.5731049 31.43069 
1 1 1   25    4    3 o  231.704   12.557  681.540   72.385  625.380  105.821  730.924   99.233  219.372   19.521  238.470   16.770 -19.09845 25.73547 
1 1 1   25    4    4 o  308.826   13.062  1209.14  100.737  1113.42  145.267  1297.82  139.816  292.785   19.988  317.494   17.705 -24.70859 26.70209 
1 1 1   25    4    5 f  173.024   12.268  380.830   52.665  319.798   78.794  430.112   70.804  155.750   20.777  182.911   15.652 -27.16040 26.01277 
1 1 1   25    4    6 o  102.533   14.157  136.148   35.281  137.980   55.846  134.931   45.514  100.819   22.726  100.788   18.774 0.3099060E-01 29.47763 
1 1 1   25    4    7 o  125.250   12.963  201.165   39.958  215.823   61.443  190.422   52.601  127.635   19.929  120.356   18.059 7.278603 26.89374 
1 1 1   25    4    8 o  129.251   13.041  214.309   41.517  211.755   63.683  216.197   54.752  125.912   20.993  128.484   17.522 -2.571915 27.34445 
1 1 1   25    4    9 o  213.047   11.914  577.217   63.131  505.935   94.035  635.710   85.182  196.451   19.423  222.270   15.443 -25.81891 24.81359 
1 1 1   25    4   10 o  103.774   14.460  140.130   36.453  112.432   57.867  158.352   46.937   90.222   24.879  109.387   17.795 -19.16482 30.58813 
1 1 1   25    4   11 o  228.358   12.319  664.949   69.990  597.236  104.303  720.412   94.398  212.872   19.850  236.006   16.114 -23.13406 25.56720 
1 1 1   25    4   12 o  222.083   12.062  629.084   66.645  662.616  101.135  603.347   88.604  225.007   18.154  215.467   16.595 9.539917 24.59581 
1 1 1   25    4   13 o  170.555   12.202  372.328   51.627  333.386   79.572  400.639   67.846  157.767   20.697  175.606   15.635 -17.83922 25.93852 
1 1 1   25    4   14 o  108.086   14.696  152.861   38.637  154.911   63.194  151.638   48.825  105.067   24.531  106.052   19.141 -0.9852142 31.11492 
1 1 1   25    4   15 o  116.477   13.703  176.382   39.094  219.465   63.581  150.192   49.572  127.173   20.735  105.225   19.586 21.94811 28.52322 
1 1 1   25    4   16 o   98.730   15.255  128.806   36.399  130.740   61.960  127.787   44.978   95.749   25.469   96.870   19.272 -1.120338 31.93881 
1 1 1   25    4   17 o   98.256   15.274  127.810   36.260  170.709   62.444  105.986   44.538  110.281   23.399   87.449   20.714 22.83242 31.25048 
1 1 1   25    4   18 o  131.355   13.728  224.718   44.365  174.460   73.400  253.648   55.688  109.434   27.021  138.455   16.427 -29.02101 31.62219 
1 1 1   25    4   19 o  134.033   13.723  234.311   45.285  321.689   76.356  186.901   56.244  153.642   20.406  116.779   20.007 36.86335 28.57739 
1 1 1   25    4   20 o   34.068   15.314 -10.7756   27.220 -20.4904   54.565  -7.5571   31.407   47.293   21.430   37.775   16.748 9.518368 27.19794 
1 1 1   25    4   21 f   64.664   19.021   57.584   32.764   22.826   60.194   72.218   39.057   58.863   24.572   71.781   20.669 -12.91870 32.10871 
1 1 1   25    4   22 o   54.780   22.215   24.983   47.366   2.3135   60.360   61.318   76.417   53.932   23.588   72.206   28.574 -18.27383 37.05199 
1 1 1   25    4   23 o   77.702   23.787   88.119   50.481   47.747   66.410  143.375   77.693   66.194   26.493   95.478   29.556 -29.28442 39.69223 
1 1 1   25    5    0 o  222.483   12.038  627.333   66.634  585.692   96.628  665.091   92.011  212.861   18.358  227.724   16.288 -14.86253 24.54173 
1 1 1   25    5    1 o  231.936   11.816  681.301   68.213  680.333   99.319  682.166   93.848  229.882   17.431  230.588   16.405 -0.7061768 23.93663 
1 1 1   25    5    2 o   90.738   15.058  107.410   32.924   91.480   52.893  117.487   42.067   82.620   24.129   94.104   18.560 -11.48444 30.44170 
1 1 1   25    5    3 o  127.497   13.035  207.996   40.919  156.578   63.105  245.300   53.751  107.361   24.126  137.807   15.912 -30.44613 28.90047 
1 1 1   25    5    4 o  267.584   12.530  906.424   83.726  786.719  120.835  1016.97  116.119  246.055   19.834  281.532   16.590 -35.47633 25.85781 
1 1 1   25    5    5 o  109.637   13.534  154.758   36.268  105.888   54.747  192.979   48.416   88.306   24.137  121.856   16.321 -33.54993 29.13707 
1 1 1   25    5    6 f  157.376   11.955  315.105   46.632  301.616   70.064  325.834   62.482  151.865   18.883  158.920   15.960 -7.054749 24.72403 
1 1 1   25    5    7 o   92.071   15.085  110.798   33.482   87.310   52.435  126.968   43.507   80.666   24.145   97.760   18.499 -17.09390 30.41736 
1 1 1   25    5    8 o  175.109   12.302  390.525   53.452  326.232   80.054  442.244   71.801  157.011   20.939  185.308   15.663 -28.29646 26.14933 
1 1 1   25    5    9 o  162.537   11.894  336.487   47.941  311.326   72.408  356.127   63.971  153.864   19.268  166.087   15.607 -12.22235 24.79567 
1 1 1   25    5   10 o  154.414   12.370  304.603   47.300  271.882   72.374  328.998   62.493  142.857   20.906  159.374   15.915 -16.51675 26.27480 
1 1 1   25    5   11 f  165.175   12.268  348.459   50.239  343.949   76.431  351.891   66.664  161.475   19.339  164.550   16.444 -3.074722 25.38507 
1 1 1   25    5   12 o   69.962   17.821   65.889   31.221   43.931   52.552   77.867   38.814   64.112   24.135   75.739   20.164 -11.62645 31.44954 
1 1 1   25    5   13 o  124.536   13.485  200.394   41.267  155.184   65.415  230.281   53.186  105.269   25.216  132.587   16.414 -27.31804 30.08802 
1 1 1   25    5   14 o   55.879   18.390   39.579   29.723  -6.0924   51.456   62.449   36.413   49.549   21.722   68.108   20.057 -18.55962 29.56568 
1 1 1   25    5   15 o  130.307   13.216  219.463   42.408  228.510   67.585  213.588   54.465  129.513   21.662  126.882   17.669 2.631264 27.95462 
1 1 1   25    5   16 o   80.042   17.112   86.467   33.167   87.415   56.529   85.969   40.958   79.640   25.293   78.991   20.564 0.6491547 32.59782 
1 1 1   25    5   17 o   56.975   18.543   41.949   30.249   98.843   55.140   17.455   36.180   83.815   24.681   48.591   19.517 35.22396 31.46556 
1 1 1   25    5   18 o   58.997   20.360   43.630   36.424   0.0000   0.0000   43.630   36.424  ?   ?    58.997   20.360 0.000000 20.36020 
1 1 1   25    5   19 o  231.581   20.366  723.436  116.581  723.436  116.581   0.0000   0.0000  231.581   20.366  ?   ?  0.000000 20.36637 
1 1 1   25    5   20 f   51.610   18.527   31.338   30.377 -16.1090   55.170   51.980   36.389   48.528   21.808   62.510   20.337 -13.98206 29.81970 
1 1 1   25    5   21 f  124.365   13.913  202.869   42.468  171.394   72.797  219.108   52.288  107.470   27.124  127.971   16.765 -20.50159 31.88689 
1 1 1   25    5   22 o   24.049   11.805 -47.2936   24.361   14.094   49.726 -66.6791   27.944   52.752   22.197   24.038   11.951 28.71321 25.20969 
1 1 1   25    5   23 f   64.022   18.997   56.820   32.563  108.211   60.967   36.309   38.517   85.247   26.148   55.711   20.723 29.53606 33.36407 
1 1 1   25    5   24 o   44.442   17.857   15.732   30.297   14.340   57.681   16.262   35.603   55.228   23.599   47.063   19.194 8.164898 30.41898 
1 1 1   25    6    0 o   94.764   15.189  116.991   34.729   56.837   53.607  160.499   45.590   69.566   24.650  110.845   17.014 -41.27860 29.95165 
1 1 1   25    6    1 o  205.355   11.729  534.336   59.899  492.615   87.095  571.780   82.510  195.187   18.074  211.240   15.755 -16.05251 23.97663 
1 1 1   25    6    2 o   80.290   16.242   85.101   31.447   45.029   50.767  110.051   40.059   64.652   23.841   91.089   18.247 -26.43658 30.02267 
1 1 1   25    6    3 f  183.237   11.841  425.985   53.890  407.838   79.697  441.272   73.148  177.350   18.256  185.331   15.961 -7.981613 24.24951 
1 1 1   25    6    4 o  253.366   11.985  811.609   75.828  807.357  110.251  815.424  104.457  250.276   17.756  251.983   16.695 -1.706879 24.37187 
1 1 1   25    6    5 o  116.072   13.092  172.857   37.286  169.487   57.882  175.247   48.747  112.561   21.374  115.734   17.406 -3.173584 27.56462 
1 1 1   25    6    6 o  211.177   11.922  565.825   62.613  556.389   91.900  574.001   85.538  207.347   17.925  211.244   16.342 -3.896942 24.25662 
1 1 1   25    6    7 o  129.931   13.374  216.510   42.773  190.342   64.385  237.182   57.227  118.921   22.505  134.884   17.395 -15.96350 28.44416 
1 1 1   25    6    8 o  311.055   13.310  1229.20  103.385  1136.53  148.234  1316.98  144.265  295.189   20.231  319.141   18.177 -23.95267 27.19778 
1 1 1   25    6    9 o  130.896   14.047  220.612   45.198  183.980   64.957  254.994   62.932  116.433   23.156  139.373   18.542 -22.94062 29.66474 
1 1 1   25    6   10 o  145.289   13.560  270.977   48.629  260.689   69.703  280.734   67.877  140.067   20.538  146.024   19.070 -5.957108 28.02640 
1 1 1   25    6   11 o  184.961   13.420  438.030   61.562  394.645   84.198  487.864   90.239  172.976   19.852  192.947   18.974 -19.97122 27.46117 
1 1 1   25    6   12 o  135.169   14.080  235.878   46.830  179.068   67.418  288.845   65.098  113.866   24.441  148.308   17.942 -34.44291 30.31966 
1 1 1   25    6   13 o  104.669   15.384  143.593   39.010  122.105   59.493  159.801   51.668   93.571   24.989  109.026   19.703 -15.45511 31.82217 
1 1 1   25    6   14 o  174.089   13.131  389.194   56.667  288.019   85.242  469.312   75.854  144.648   24.472  189.969   16.143 -45.32108 29.31650 
1 1 1   25    6   15 o  144.303   12.914  268.098   46.043  212.770   72.086  306.226   59.841  123.803   24.184  153.164   15.876 -29.36150 28.92966 
1 1 1   25    6   16 o  108.914   14.840  155.480   39.311  105.126   63.080  187.452   50.265   86.520   26.607  118.764   17.471 -32.24378 31.83043 
1 1 1   25    6   17 o  167.698   12.660  361.845   52.627  310.238   83.168  396.309   67.964  150.292   22.882  174.149   15.800 -23.85623 27.80722 
1 1 1   25    6   18 o   78.952   17.782   84.796   34.215   60.826   59.646   96.552   41.771   70.522   25.867   83.613   20.226 -13.09095 32.83588 
1 1 1   25    6   19 o  100.661   15.167  134.075   36.941  165.566   64.125  118.433   45.194  107.957   24.364   92.652   20.111 15.30453 31.59214 
1 1 1   25    6   20 o   73.113   17.929   73.276   32.484  108.453   57.974   57.178   39.218   86.933   25.225   65.322   21.102 21.61153 32.88733 
1 1 1   25    6   21 o   70.832   18.264   69.130   32.514   62.411   59.361   72.010   38.862   70.288   25.801   71.956   20.587 -1.668488 33.00813 
1 1 1   25    6   22 o  128.711   13.717  217.072   43.408  185.628   73.270  234.075   53.881  112.081   26.581  132.278   16.683 -20.19666 31.38259 
1 1 1   25    6   23 o   86.591   16.960  102.516   35.360   99.007   62.966  104.132   42.735   82.200   26.753   85.921   20.249 -3.720444 33.55205 
1 1 1   25    6   24 o   52.908   18.695   34.868   30.814   65.207   59.351   23.672   36.053   70.070   25.788   50.001   19.677 20.06894 32.43757 
1 1 1   25    7    0 o  255.361   12.362  824.834   78.833  716.458  112.756  928.466  110.261  235.079   19.380  269.114   16.487 -34.03470 25.44424 
1 1 1   25    7    1 o  142.195   11.750  257.105   41.349  270.158   62.430  246.903   55.190  144.188   17.711  138.173   16.310 6.015106 24.07645 
1 1 1   25    7    2 o  270.727   12.142  926.669   82.090  930.256  118.349  923.344  113.960  268.827   17.729  268.098   17.111 0.7289124 24.63967 
1 1 1   25    7    3 o  315.797   12.019  1260.71   94.779  1315.83  136.577  1209.51  131.635  320.173   17.144  306.879   17.247 13.29486 24.31866 
1 1 1   25    7    4 o  182.126   11.512  420.565   52.086  384.186   76.494  452.014   71.121  172.111   18.067  187.771   15.301 -15.65961 23.67580 
1 1 1   25    7    5 o  223.036   12.157  631.087   67.457  679.952   98.368  587.707   92.682  229.729   17.273  213.385   17.549 16.34378 24.62379 
1 1 1   25    7    6 o  142.304   13.088  258.856   45.987  251.936   66.113  265.344   64.010  138.390   19.686  142.520   18.416 -4.130356 26.95704 
1 1 1   25    7    7 o  226.745   16.646  661.904   93.597  815.214  178.432  603.705  109.936  244.118   29.895  214.700   20.764 29.41791 36.39833 
1 1 1   25    7    8 o  195.309   16.106  491.344   77.852  816.887  169.307  404.055   87.670  245.270   28.153  175.339   20.404 69.93027 34.76941 
1 1 1   25    7    9 o   86.238   19.936  100.193   42.074   72.552  136.157  103.111   44.239   91.640   37.474   87.358   20.612 4.282547 42.76834 
1 1 1   25    7   10 o   94.624   19.500  120.146   44.544  182.522  142.722  113.414   46.887  113.720   40.229   91.504   20.968 22.21545 45.36550 
1 1 1   25    7   11 o  304.530   18.707  1206.91  141.570  1298.26  237.018  1156.24  176.516  304.901   31.588  294.040   24.256 10.86084 39.82637 
1 1 1   25    7   12 o  198.787   17.872  515.464   87.770  404.255  176.381  552.065  101.188  160.211   43.131  204.667   20.056 -44.45564 47.56565 
1 1 1   25    7   13 o   57.884   20.407   39.686   36.697   19.757  146.175   41.026   37.911   84.192   36.768   58.798   20.741 25.39440 42.21442 
1 1 1   25    7   14 o  192.287   18.417  485.869   87.354  267.998  173.867  559.433  101.030  129.324   44.491  205.592   19.929 -76.26831 48.75087 
1 1 1   25    7   15 o  198.811   18.091  519.405   88.832  416.979  183.178  550.901  101.575  158.960   44.425  203.538   20.253 -44.57767 48.82382 
1 1 1   25    7   16 o  128.654   18.022  219.948   56.311  370.070  164.422  200.000   59.936  150.658   42.084  121.543   20.475 29.11452 46.80010 
1 1 1   25    7   17 o  271.178   23.475  1000.98  157.403   0.0000   0.0000  1000.98  157.403  ?   ?   271.178   23.475 0.000000 23.47544 
1 1 1   25    7   18 o  138.401   46.439  338.378  189.300  338.378  189.300   0.0000   0.0000  138.401   46.439  ?   ?  0.000000 46.43858 
1 1 1   25    7   19 o  170.595   14.513  378.617   61.237  287.835   87.779  464.691   85.473  142.674   25.577  186.827   18.566 -44.15353 31.60524 
1 1 1   25    7   20 o  214.515   12.178  591.363   64.969  620.274  102.230  571.775   84.147  215.277   19.219  208.615   16.282 6.662094 25.18814 
1 1 1   25    7   21 o  111.954   14.493  165.001   39.568  186.003   68.140  154.317   48.601  113.990   24.655  106.323   19.002 7.666183 31.12812 
1 1 1   25    7   22 o  165.394   12.541  354.135   51.410  332.666   85.030  366.504   64.543  154.286   22.753  166.634   15.696 -12.34848 27.64113 
1 1 1   25    7   23 o   37.184   16.067  -0.5161   27.303 -10.2659   54.786   2.7056   31.493   49.227   21.955   40.791   17.433 8.436821 28.03457 
1 1 1   25    7   24 o   55.886   18.953   40.588   31.534   0.2772   59.212   56.547   37.257   53.024   23.272   64.176   20.550 -11.15150 31.04681 
1 1 1   25    7   25 o   55.511   18.884   40.295   31.307   31.768   59.435   43.569   36.831   60.187   24.702   58.084   20.448 2.103142 32.06729 
1 1 1   25    8    0 f  186.301   11.642  440.129   53.888  371.360   77.898  503.246   74.627  168.939   18.783  198.230   15.191 -29.29135 24.15714 
1 1 1   25    8    1 o  175.483   12.242  391.304   53.309  353.158   77.617  425.367   73.345  164.547   19.253  181.803   16.330 -17.25597 25.24565 
1 1 1   25    8    2 o  148.288   12.045  279.769   44.216  250.421   65.949  303.736   59.596  138.079   19.683  153.570   15.764 -15.49074 25.21776 
1 1 1   25    8    3 o  303.640   11.998  1165.61   90.976  1165.40  130.536  1165.81  126.863  301.083   17.436  301.385   16.925 -0.3016052 24.29972 
1 1 1   25    8    4 o  239.382   12.112  726.512   72.170  744.881  104.169  709.555  100.082  240.456   17.467  234.771   17.191 5.684830 24.50759 
1 1 1   25    8    5 o  288.375   17.292  1069.61  123.951  1278.79  209.853  957.524  153.610  308.771   27.504  269.759   23.024 39.01248 35.86869 
1 1 1   25    8    6 o   75.180   20.337   75.702   39.102 -120.2537  126.929   96.249   41.101   63.889   30.197   84.680   19.792 -20.79146 36.10554 
1 1 1   25    8    7 o  134.087   17.232  234.167   56.363  196.810  137.818  241.670   61.765  117.752   39.623  135.766   18.715 -18.01423 43.82085 
1 1 1   25    8    8 f  139.492   17.118  253.220   58.378  250.010  142.212  253.871   64.021  130.061   39.943  139.063   18.928 -9.002045 44.20058 
1 1 1   25    8    9 o  104.929   16.847  144.599   42.649  186.071  137.135  140.158   44.874  114.692   39.510  102.891   18.127 11.80190 43.46996 
1 1 1   25    8   10 o  163.596   15.677  345.624   63.261  371.979  159.625  340.713   68.903  156.814   40.485  161.838   17.318 -5.023453 44.03330 
1 1 1   25    8   11 f  219.641   12.349  614.235   67.459  546.684   99.934  670.785   91.435  204.046   19.864  228.021   16.163 -23.97493 25.60912 
1 1 1   25    8   12 o  289.768   13.038  1068.91   94.346  883.893  137.228  1234.75  129.922  258.559   21.447  309.012   16.901 -50.45309 27.30598 
1 1 1   25    8   13 o  142.541   12.529  260.387   44.146  274.577   68.387  250.250   57.803  143.871   19.540  138.200   17.115 5.671326 25.97606 
1 1 1   25    8   14 o  147.933   17.152  286.843   62.188  291.552   71.919  272.887  123.809  147.951   19.977  134.504   36.104 13.44678 41.26239 
1 1 1   25    8   15 o  119.129   13.778  183.952   40.231  192.361   64.775  178.671   51.331  118.414   22.732  115.788   18.366 2.625755 29.22397 
1 1 1   25    8   16 o   67.936   19.028   62.418   33.567 -54.3345   59.887  115.900   40.532   44.765   21.029   92.777   18.145 -48.01146 27.77526 
1 1 1   25    8   17 o  216.764   15.041  609.133   80.911  1163.58  214.353  517.007   87.375  284.984   30.599  198.125   17.852 86.85918 35.42604 
1 1 1   25    8   18 o  137.490   16.428  249.016   55.287  208.965  176.973  253.347   58.200  115.107   44.061  138.350   17.219 -23.24251 47.30615 
1 1 1   25    8   19 o  155.495   18.518  322.520   70.491  235.647  189.094  336.541   75.967  118.993   45.546  158.265   19.644 -39.27252 49.60157 
1 1 1   25    8   20 f  183.738   18.342  449.525   83.035  485.695  204.389  442.375   90.871  163.736   47.321  180.906   20.476 -17.16913 51.56067 
1 1 1   25    8   21 o  143.994   19.063  279.733   66.861  281.497  203.263  279.519   70.801  124.003   47.279  143.210   20.372 -19.20746 51.48125 
1 1 1   25    8   22 o   89.579   21.539  113.033   47.588   49.242  198.255  116.934   49.021   91.589   41.234   91.012   21.846 0.5767822 46.66352 
1 1 1   25    8   23 o  103.129   16.866  143.583   41.933  144.719   67.798  142.879   53.365   98.705   26.811  100.495   21.885 -1.789528 34.60893 
1 1 1   25    8   24 o   50.816   18.328   30.659   29.762   43.164   55.556   25.626   35.246   62.858   24.517   50.619   19.588 12.23894 31.38133 
1 1 1   25    8   25 o   69.758   18.518   68.119   32.795   89.463   61.273   59.549   38.825   78.385   26.420   65.537   20.977 12.84840 33.73493 
1 1 1   25    9    0 o  199.038   11.059  501.561   54.751  503.242   79.298  500.030   75.688  197.832   16.193  197.441   15.475 0.3903046 22.39868 
1 1 1   25    9    1 o  186.322   11.721  440.420   54.259  403.933   78.773  473.357   74.844  176.455   18.135  191.999   15.749 -15.54442 24.01886 
1 1 1   25    9    2 o  129.639   12.641  214.741   40.402  200.215   60.091  226.726   54.581  122.966   20.276  132.090   16.937 -9.124382 26.41940 
1 1 1   25    9    3 o  112.854   12.814  163.315   35.473  130.792   53.187  189.374   47.609   98.411   22.174  120.757   16.196 -22.34622 27.45922 
1 1 1   25    9    4 o  303.947   17.627  1189.19  133.213  1358.66  217.003  1086.71  168.752  318.266   27.577  287.020   23.758 31.24573 36.39919 
1 1 1   25    9    5 o  212.534   16.635  581.381   87.583  585.219  161.061  579.769  104.361  205.082   32.536  210.825   20.065 -5.743546 38.22539 
1 1 1   25    9    6 o   51.844   18.670   29.647   30.869  108.241  120.555   24.132   31.934   96.315   36.485   49.857   18.804 46.45840 41.04578 
1 1 1   25    9    7 o  103.584   17.349  141.167   43.290  198.032  131.670  134.275   45.839  117.799   38.703  100.507   18.959 17.29171 43.09738 
1 1 1   25    9    8 o   97.792   14.256  124.147   33.790  108.851   53.953  134.018   43.343   89.356   23.766  100.676   17.896 -11.31992 29.75025 
1 1 1   25    9    9 o   98.741   14.207  126.571   34.022  101.037   53.812  143.576   43.913   86.139   24.080  104.365   17.467 -18.22620 29.74812 
1 1 1   25    9   10 o  111.265   13.440  159.624   36.585   98.802   56.511  203.510   48.003   85.209   24.957  125.168   15.703 -39.95975 29.48586 
1 1 1   25    9   11 o  147.824   12.925  279.792   47.232  159.761   70.155  379.300   63.877  107.137   26.394  171.579   15.061 -64.44235 30.38900 
1 1 1   25    9   12 o  207.439   12.397  548.536   63.924  424.205   93.902  655.917   87.267  178.606   21.485  225.602   15.586 -46.99576 26.54263 
1 1 1   25    9   13 o  157.574   12.683  317.913   49.482  228.335   74.170  389.759   66.425  129.206   23.867  173.570   15.488 -44.36363 28.45162 
1 1 1   25    9   14 o  110.866   13.637  159.247   36.958  153.162   59.262  163.120   47.278  105.438   23.142  110.926   17.660 -5.488243 29.11084 
1 1 1   25    9   15 o  154.523   12.824  306.601   49.038  251.367   74.957  347.931   64.839  135.726   22.933  163.428   16.097 -27.70177 28.01797 
1 1 1   25    9   16 o  237.740   17.542  739.588  103.410   0.0000   0.0000  739.588  103.410  ?   ?   237.740   17.542 0.000000 17.54239 
1 1 1   25    9   17 o  220.355   18.638  641.083  101.596  641.083  101.596   0.0000   0.0000  220.355   18.638  ?   ?  0.000000 18.63791 
1 1 1   25    9   18 o   75.713   17.139   77.547   31.651   81.541   55.061   75.575   38.680   77.314   25.006   74.216   20.289 3.098633 32.20196 
1 1 1   25    9   19 o   62.336   17.990   52.342   29.559   57.272   52.881   50.101   35.648   68.017   24.442   61.871   20.129 6.145893 31.66350 
1 1 1   25    9   20 o   41.129   16.691   10.581   26.757   11.289   52.153   10.328   31.173   53.674   22.666   43.498   17.875 10.17584 28.86679 
1 1 1   25    9   21 o   46.230   17.445   21.778   27.493   16.530   53.456   23.666   32.058   55.425   23.148   48.989   18.753 6.436352 29.79083 
1 1 1   25    9   22 o   70.918   20.659   69.621   38.819 -115.9015  188.904   77.800   39.665   75.780   36.111   74.733   20.594 1.046989 41.57078 
1 1 1   25    9   23 o  133.970   16.289  238.914   53.373  458.455  215.852  224.617   55.083  150.722   49.556  129.236   17.520 21.48645 52.56177 
1 1 1   25    9   24 o   41.351   17.664   3.0416   32.299   84.054  209.736   1.0737   32.689   94.486   42.486   40.960   17.639 53.52603 46.00233 
1 1 1   25    9   25 o   92.434   21.438  122.002   48.524  270.458  231.386  115.173   49.628  114.382   47.993   89.366   22.308 25.01587 52.92394 
1 1 1   25    9   26 o   52.175   19.271   31.915   33.194   9.3620   64.088   40.183   38.804   56.388   24.489   57.118   20.877 -0.7306213 32.18019 
1 1 1   25   10    0 o  181.240   11.228  416.489   50.568  387.317   73.527  442.671   69.657  172.957   17.254  185.738   15.150 -12.78081 22.96145 
1 1 1   25   10    1 o  118.050   12.597  178.451   36.563  101.813   54.264  242.174   49.481   86.646   24.167  137.182   14.672 -50.53619 28.27176 
1 1 1   25   10    2 o  219.852   11.788  612.860   64.484  581.417   92.347  642.781   90.083  212.142   17.591  223.664   16.239 -11.52177 23.94048 
1 1 1   25   10    3 o  243.952   11.398  751.889   69.438  667.444   98.854  834.137   97.559  227.410   17.543  255.293   15.375 -27.88330 23.32674 
1 1 1   25   10    4 o  219.113   16.067  616.683   87.299  769.512  164.453  556.718  103.012  238.449   28.162  206.437   20.243 32.01166 34.68225 
1 1 1   25   10    5 o  231.780   16.745  691.448   96.268  723.884  171.358  676.490  116.368  229.516   30.665  227.465   20.714 2.050613 37.00506 
1 1 1   25   10    6 o  120.208   17.313  188.938   50.470  169.834  127.851  192.465   54.932  110.940   38.153  120.878   18.810 -9.938583 42.53773 
1 1 1   25   10    7 o   80.967   15.497   86.362   30.191   79.149   48.292   90.991   38.683   77.072   23.195   82.361   19.168 -5.288704 30.09022 
1 1 1   25   10    8 o  111.823   13.157  160.843   36.037  141.196   55.269  175.374   47.531  102.070   22.307  115.781   16.941 -13.71024 28.01034 
1 1 1   25   10    9 o  248.386   12.371  782.258   76.731  715.074  110.623  844.552  106.521  234.350   19.068  255.965   16.758 -21.61449 25.38533 
1 1 1   25   10   10 o  130.151   12.748  217.043   40.900  145.416   61.198  274.861   54.983  102.900   24.219  145.844   15.326 -42.94435 28.66092 
1 1 1   25   10   11 o  175.977   11.987  394.445   52.365  339.447   77.566  440.502   70.982  160.449   19.778  184.817   15.524 -24.36861 25.14240 
1 1 1   25   10   12 o  279.208   13.126  992.475   91.517  896.386  132.130  1081.08  126.878  261.120   20.426  288.666   17.686 -27.54620 27.01906 
1 1 1   25   10   13 o  195.256   11.926  485.823   57.873  358.261   85.157  595.304   78.891  163.856   21.316  215.094   14.777 -51.23801 25.93757 
1 1 1   25   10   14 o   73.226   16.677   71.878   29.813   73.925   49.224   70.691   37.467   74.434   23.599   72.291   20.052 2.142685 30.96750 
1 1 1   25   10   15 o  229.417   12.128  671.686   69.236  512.996  102.223  806.184   94.109  196.010   21.223  249.921   15.151 -53.91116 26.07634 
1 1 1   25   10   16 o  125.802   13.776  205.016   42.571  167.963   64.985  232.870   56.344  109.701   24.357  132.817   17.407 -23.11582 29.93773 
1 1 1   25   10   17 o  130.910   13.144  221.382   42.388  162.516   66.585  261.494   54.964  107.295   25.268  141.369   15.842 -34.07330 29.82386 
1 1 1   25   10   18 o  104.103   14.792  142.309   37.371  103.258   61.091  165.661   47.242   85.710   26.154  111.431   17.558 -25.72076 31.50170 
1 1 1   25   10   19 o  110.195   14.522  159.111   38.988  107.374   63.167  190.949   49.553   87.032   26.603  119.899   17.029 -32.86665 31.58600 
1 1 1   25   10   20 o   54.074   17.921   37.195   28.209   25.651   51.229   42.218   33.794   57.284   23.148   57.796   19.620 -0.5125999 30.34420 
1 1 1   25   10   21 o   31.425   14.255 -12.5941   24.220 -47.2516   49.533  -1.7039   27.766   40.319   18.998   37.300   16.159 3.019077 24.94051 
1 1 1   25   10   22 o   75.037   17.753   77.121   32.747   37.865   58.479   95.054   39.525   62.849   24.956   82.893   19.432 -20.04392 31.62959 
1 1 1   25   10   23 o   99.617   15.168  132.010   36.540   45.146   62.829  176.408   44.918   65.836   25.955  115.038   16.075 -49.20128 30.52976 
1 1 1   25   10   24 f   45.402   17.677   19.007   28.842 -41.5722   54.567   42.492   33.976   43.469   20.308   57.492   19.672 -14.02279 28.27393 
1 1 1   25   10   25 o   67.670   18.755   63.739   32.790  -0.7384   60.369   90.723   39.053   53.347   23.454   80.327   19.634 -26.97992 30.58773 
1 1 1   25   10   26 o  105.380   18.275  153.219   46.348  376.733  244.185  144.866   47.207  125.518   50.602  101.888   19.259 23.62945 54.14278 
1 1 1   25   11    0 o  102.591   13.517  135.927   33.787  133.033   51.658  138.090   44.664   99.265   21.464  102.140   18.177 -2.874802 28.12712 
1 1 1   25   11    1 o  133.132   12.025  226.120   39.545  206.793   58.505  242.376   53.657  125.161   19.342  136.791   16.011 -11.62993 25.10934 
1 1 1   25   11    2 o  206.335   11.664  540.104   59.855  574.460   86.235  508.166   83.145  211.191   16.482  198.383   16.946 12.80835 23.63937 
1 1 1   25   11    3 o   95.920   13.404  118.967   31.229   95.123   47.046  137.749   41.755   83.847   22.141  102.412   16.918 -18.56560 27.86496 
1 1 1   25   11    4 o  264.178   16.505  897.082  108.337  1105.00  187.403  792.721  132.771  287.158   26.431  245.621   21.875 41.53720 34.30899 
1 1 1   25   11    5 o  139.845   16.598  253.798   56.832  243.693  131.946  256.100   62.973  129.010   38.231  139.867   18.482 -10.85722 42.46421 
1 1 1   25   11    6 o  197.396   12.350  495.512   60.572  397.848   87.564  585.133   83.880  173.938   20.557  213.362   15.856 -39.42372 25.96174 
1 1 1   25   11    7 o  136.382   12.260  237.471   41.307  205.286   61.460  263.985   55.784  124.244   20.526  142.827   15.911 -18.58370 25.97070 
1 1 1   25   11    8 o  235.329   12.209  703.586   71.503  670.534  103.257  734.037   99.112  227.273   18.350  238.601   16.740 -11.32864 24.83880 
1 1 1   25   11    9 o  387.798   13.872  1914.91  134.338  1779.87  191.442  2045.90  188.556  368.872   20.869  397.480   18.997 -28.60754 28.22001 
1 1 1   25   11   10 o  178.618   12.147  406.372   53.859  288.793   78.152  512.725   74.328  147.007   21.962  199.744   15.011 -52.73677 26.60218 
1 1 1   25   11   11 o  174.156   11.864  386.265   51.290  281.028   75.123  478.150   70.196  145.111   21.371  192.896   14.683 -47.78426 25.92896 
1 1 1   25   11   12 o  424.100   14.622  2300.84  154.853  2223.11  221.958  2374.56  216.149  410.498   21.730  426.121   20.313 -15.62271 29.74554 
1 1 1   25   11   13 o  128.240   13.223  211.714   41.738  164.238   63.724  247.384   55.235  109.096   24.039  137.682   16.387 -28.58594 29.09323 
1 1 1   25   11   14 o  166.555   12.253  354.695   50.604  320.408   76.426  381.464   67.528  155.162   20.204  171.395   15.961 -16.23239 25.74757 
1 1 1   25   11   15 o  192.337   16.622  481.876   79.051   0.0000   0.0000  481.876   79.051  ?   ?   192.337   16.622 0.000000 16.62205 
1 1 1   25   11   16 o   88.084   16.676  103.563   35.338   86.471   54.528  115.940   46.400   79.527   24.785   92.027   20.693 -12.49982 32.28765 
1 1 1   25   11   17 o  113.298   13.425  166.564   37.243  177.514   60.316  159.817   47.348  113.688   22.041  109.372   17.959 4.315407 28.43143 
1 1 1   25   11   18 f  171.363   12.406  377.039   52.728  307.198   80.836  428.762   69.564  150.063   22.245  181.435   15.503 -31.37198 27.11413 
1 1 1   25   11   19 o  261.297   13.237  878.239   86.090  783.308  128.481  955.589  115.976  240.972   21.580  269.833   17.303 -28.86128 27.65998 
1 1 1   25   11   20 o  111.784   14.335  163.648   39.093  146.942   64.678  173.264   49.071  101.288   25.568  113.682   17.876 -12.39403 31.19730 
1 1 1   25   11   21 o   56.350   17.909   41.592   28.337   29.886   51.870   46.572   33.831   58.652   23.436   59.780   19.617 -1.127972 30.56244 
1 1 1   25   11   22 o  121.424   14.106  193.012   41.976  101.494   68.950  246.904   52.911   84.446   28.020  136.772   15.781 -52.32571 32.15858 
1 1 1   25   11   23 o  152.828   13.037  303.162   49.277  197.202   79.497  369.280   62.797  115.312   27.908  167.695   15.160 -52.38242 31.75948 
1 1 1   25   11   24 o   85.183   16.873   98.759   34.622   56.815   62.564  117.274   41.567   68.908   26.240   92.253   18.684 -23.34408 32.21254 
1 1 1   25   11   25 o   43.939   17.147   17.561   27.188   15.981   54.565   18.082   31.357   55.051   23.213   46.104   18.285 8.947430 29.54954 
1 1 1   25   11   26 o   38.466   16.292   4.0172   27.071 -29.1578   53.468   15.453   31.392   44.756   20.629   44.987   18.141 -0.2315788 27.47072 
1 1 1   25   12    0 o  258.803   11.922  848.543   77.052  821.417  109.536  875.113  108.408  251.987   17.516  260.509   16.753 -8.521500 24.23801 
1 1 1   25   12    1 o  182.718   11.772  424.370   53.427  406.660   76.869  440.920   74.311  176.915   17.634  184.803   16.268 -7.887955 23.99230 
1 1 1   25   12    2 o  139.557   11.955  248.374   41.262  209.523   60.344  282.487   56.546  125.732   19.880  147.887   15.544 -22.15460 25.23602 
1 1 1   25   12    3 o  323.051   14.217  1329.15  114.693  1385.89  146.708  1239.97  183.935  327.491   18.008  305.517   24.310 21.97443 30.25358 
1 1 1   25   12    4 o  207.275   16.408  553.838   84.232  582.099  158.372  542.690   99.467  204.026   32.149  203.722   19.802 0.3039246 37.75784 
1 1 1   25   12    5 o  200.325   16.484  517.718   81.727  499.579  152.628  525.009   96.769  187.677   33.810  200.438   19.583 -12.76038 39.07224 
1 1 1   25   12    6 o  183.505   11.641  427.780   53.066  402.138   77.072  450.894   73.174  175.893   17.791  187.093   15.810 -11.20015 23.80098 
1 1 1   25   12    7 o  350.907   13.051  1563.97  114.364  1524.45  162.986  1602.31  160.512  342.659   19.124  351.866   18.331 -9.207397 26.49047 
1 1 1   25   12    8 o  369.863   13.402  1739.68  123.784  1668.83  176.337  1808.51  173.804  357.945   19.805  373.966   18.611 -16.02179 27.17729 
1 1 1   25   12    9 o  296.082   12.739  1113.31   94.189  1026.64  134.599  1196.49  131.852  280.685   19.321  304.271   17.425 -23.58640 26.01805 
1 1 1   25   12   10 o  150.919   12.026  290.586   44.945  215.060   66.419  354.381   61.043  126.482   21.817  165.865   14.897 -39.38338 26.41752 
1 1 1   25   12   11 o  157.491   11.916  316.329   46.516  277.981   68.772  348.665   63.153  145.029   19.482  164.206   15.588 -19.17613 24.95046 
1 1 1   25   12   12 o  213.666   11.786  580.917   62.641  530.360   91.446  625.613   85.982  201.433   18.382  220.172   15.742 -18.73845 24.20168 
1 1 1   25   12   13 o  297.368   12.671  1125.65   94.091  1013.32  136.124  1228.42  130.201  277.767   19.754  307.880   17.001 -30.11346 26.06204 
1 1 1   25   12   14 o  163.406   12.422  341.760   50.311  281.864   75.969  388.551   67.145  144.682   21.696  173.072   15.707 -28.39021 26.78465 
1 1 1   25   12   15 o  237.893   14.997  730.328   88.634  672.496  103.755  886.498  170.500  226.325   18.520  253.083   27.416 -26.75812 33.08559 
1 1 1   25   12   16 o   56.639   17.214   42.125   26.502   24.241   46.896   50.517   32.123   55.623   22.263   61.827   18.983 -6.203922 29.25734 
1 1 1   25   12   17 o   81.380   16.247   88.603   31.861   63.484   54.115  101.931   39.417   70.770   24.794   86.652   18.760 -15.88235 31.09145 
1 1 1   25   12   18 o  203.459   12.200  530.313   61.701  503.059   93.242  551.545   82.297  194.398   19.469  205.572   16.162 -11.17400 25.30309 
1 1 1   25   12   19 o  196.668   12.504  496.733   61.091  386.806   92.675  581.208   81.241  168.179   22.642  211.260   15.508 -43.08052 27.44393 
1 1 1   25   12   20 o  234.971   12.708  709.603   74.292  553.000  111.872  833.147   99.365  201.164   22.665  252.717   15.825 -51.55348 27.64298 
1 1 1   25   12   21 o  116.162   14.116  176.516   40.105  112.873   65.120  215.406   50.905   88.625   26.994  127.549   16.359 -38.92439 31.56414 
1 1 1   25   12   22 o  194.925   12.766  490.275   61.799  345.502   95.428  594.843   81.103  156.212   25.331  213.303   15.328 -57.09128 29.60734 
1 1 1   25   12   23 o  169.269   13.022  371.300   54.622  218.846   86.305  473.172   70.549  121.036   28.945  190.116   14.982 -69.08013 32.59217 
1 1 1   25   12   24 o  106.811   14.577  150.941   37.867   87.089   64.613  184.345   46.733   78.794   27.121  117.401   16.387 -38.60786 31.68772 
1 1 1   25   12   25 o   95.657   15.833  123.113   36.499   27.219   63.588  170.230   44.572   60.944   25.332  112.580   16.331 -51.63572 30.14014 
1 1 1   25   12   26 o   94.530   15.557  120.420   35.445   86.651   62.892  136.140   42.909   77.700   26.757   99.530   17.923 -21.83059 32.20541 
1 1 1   25   13    0 o   68.790   15.262   62.856   25.532   96.336   41.395   42.299   32.436   84.413   19.953   58.117   19.215 26.29625 27.70071 
1 1 1   25   13    1 o  130.923   12.337  219.339   39.858  183.998   58.175  250.606   54.718  117.243   20.623  138.913   16.071 -21.66934 26.14506 
1 1 1   25   13    2 o  313.314   12.411  1245.64   97.104  1322.62  137.576  1169.21  137.076  320.035   17.279  300.200   18.374 19.83527 25.22179 
1 1 1   25   13    3 o  120.643   12.525  186.585   37.184  146.554   55.230  219.771   50.288  103.992   21.957  130.106   15.802 -26.11385 27.05228 
1 1 1   25   13    4 o   81.344   18.482   88.737   36.689  138.883  122.765   83.819   38.446  102.625   37.191   78.868   19.605 23.75662 42.04185 
1 1 1   25   13    5 o  261.209   16.530  879.263  107.268  1087.13  188.145  779.153  130.567  283.636   26.884  243.085   21.739 40.55067 34.57359 
1 1 1   25   13    6 o  246.613   11.788  770.378   72.592  741.463  103.581  798.288  101.764  239.340   17.451  248.858   16.469 -9.518692 23.99476 
1 1 1   25   13    7 o  370.412   12.979  1743.54  120.050  1665.80  170.333  1820.26  169.225  357.975   19.124  375.429   18.050 -17.45343 26.29687 
1 1 1   25   13    8 o  202.612   11.423  521.297   57.560  455.957   83.140  581.446   79.769  187.102   18.017  212.716   15.115 -25.61333 23.51778 
1 1 1   25   13    9 o  186.488   12.007  442.793   55.619  376.955   80.944  501.685   76.554  169.301   19.502  197.252   15.671 -27.95108 25.01816 
1 1 1   25   13   10 o  240.909   11.563  735.491   69.560  730.072  100.918  740.396   96.011  237.382   17.140  239.548   16.144 -2.166550 23.54574 
1 1 1   25   13   11 o  125.087   12.338  200.609   38.038  166.810   57.172  227.454   50.951  111.064   21.390  132.244   15.738 -21.18014 26.55565 
1 1 1   25   13   12 o   50.873   16.657   32.341   24.396   25.682   43.272   35.444   29.537   54.914   21.575   53.930   18.343 0.9844856 28.31804 
1 1 1   25   13   13 o  285.854   12.483  1039.98   89.106  913.223  127.980  1159.23  124.137  263.625   19.580  299.163   16.683 -35.53833 25.72367 
1 1 1   25   13   14 o  121.840   15.431  193.769   45.896  339.807  149.657  178.608   48.220  147.769   39.707  116.329   17.110 31.44033 43.23680 
1 1 1   25   13   15 o  248.242   13.779  791.341   85.082  722.174  112.430  884.039  130.156  233.945   19.421  258.318   20.342 -24.37303 28.12367 
1 1 1   25   13   16 o  202.471   11.647  523.236   58.640  481.232   87.590  557.356   78.942  190.958   18.604  207.357   15.355 -16.39925 24.12240 
1 1 1   25   13   17 o  176.170   12.202  397.731   53.347  356.003   80.868  429.882   70.984  162.973   20.311  181.640   15.807 -18.66617 25.73737 
1 1 1   25   13   18 o  186.843   11.751  446.727   54.548  426.681   83.172  461.858   72.259  179.218   18.868  188.331   15.502 -9.112381 24.41947 
1 1 1   25   13   19 o  155.113   12.717  310.030   48.825  186.316   74.767  402.011   64.469  113.886   26.746  175.829   14.821 -61.94326 30.57791 
1 1 1   25   13   20 o  242.087   12.093  749.436   73.109  666.112  110.129  815.088   97.756  223.014   19.987  250.001   15.739 -26.98708 25.44017 
1 1 1   25   13   21 o  251.660   12.356  811.552   77.652  690.288  117.043  906.891  103.781  225.972   20.981  263.454   15.848 -37.48274 26.29407 
1 1 1   25   13   22 o  103.635   14.338  141.371   36.113  140.111   62.302  142.008   44.317   98.620   25.203  102.447   17.979 -3.827248 30.95874 
1 1 1   25   13   23 o  163.260   12.966  345.376   52.427  222.449   82.954  427.130   67.650  122.927   27.689  180.504   15.148 -57.57694 31.56156 
1 1 1   25   13   24 o   92.081   16.362  114.368   36.244   31.304   62.443  156.570   44.509   61.930   25.357  107.749   17.114 -45.81902 30.59185 
1 1 1   25   13   25 o   61.538   18.240   51.772   30.032   20.304   56.981   63.876   35.339   57.100   23.878   67.808   19.700 -10.70766 30.95504 
1 1 1   25   13   26 o   98.276   15.236  129.511   36.180   97.820   63.910  144.458   43.891   81.617   26.971  102.721   17.753 -21.10386 32.28960 
1 1 1   25   13   27 o   87.747   16.410  105.267   34.636   81.316   62.569  115.850   41.590   75.515   26.645   90.975   18.923 -15.46013 32.68071 
1 1 1   25   14    0 o   82.245   19.962   91.741   40.584   85.378   42.479  158.319  137.407   79.231   21.095  107.178   39.269 -27.94640 44.57604 
1 1 1   25   14    1 o  136.367   16.957  243.124   56.498  262.118   60.798  122.939  152.936  141.428   17.595  102.207   40.430 39.22156 44.09303 
1 1 1   25   14    2 o  320.695   12.163  1305.54   97.406  1272.37  136.989  1339.45  138.531  313.373   17.576  321.726   17.306 -8.353210 24.66664 
1 1 1   25   14    3 o   74.820   14.951   74.013   26.958   91.107   43.031   62.971   34.586   81.913   20.953   68.613   19.349 13.30028 28.52009 
1 1 1   25   14    4 o  238.509   15.900  732.995   94.156  1028.04  174.838  612.472  111.744  276.186   25.643  215.415   21.042 60.77115 33.17092 
1 1 1   25   14    5 o  111.888   16.648  164.212   45.097  286.836  130.379  147.548   48.064  138.937   36.941  105.206   18.994 33.73123 41.53773 
1 1 1   25   14    6 o  141.197   12.165  254.744   42.475  255.915   62.605  253.746   57.818  139.522   18.419  139.448   16.952 0.7389832E-01 25.03282 
1 1 1   25   14    7 o  164.198   12.169  343.923   49.542  283.706   71.574  399.307   68.642  146.322   20.121  175.768   15.808 -29.44615 25.58772 
1 1 1   25   14    8 o  224.959   12.164  644.104   68.081  606.170   97.272  680.530   95.320  215.679   18.231  229.329   16.761 -13.64993 24.76494 
1 1 1   25   14    9 o  364.891   13.048  1694.66  118.894  1732.31  169.537  1658.22  166.780  364.890   18.668  356.898   18.779 7.991791 26.47965 
1 1 1   25   14   10 o  517.832   15.905  3446.61  205.671  3357.89  291.582  3534.46  290.149  503.067   23.210  517.082   22.470 -14.01462 32.30548 
1 1 1   25   14   11 o  101.339   13.607  133.227   33.563  116.288   52.418  144.996   43.695   91.940   22.913  104.664   17.324 -12.72435 28.72497 
1 1 1   25   14   12 o   93.859   13.964  114.895   31.733   75.379   49.538  142.392   41.324   75.095   23.659  103.922   16.473 -28.82684 28.82938 
1 1 1   25   14   13 o  112.909   16.964  168.220   46.353   0.0000   0.0000  168.220   46.353  ?   ?   112.909   16.964 0.000000 16.96427 
1 1 1   25   14   14 o  198.438   16.609  512.741   81.549  512.741   81.549   0.0000   0.0000  198.438   16.609  ?   ?  0.000000 16.60949 
1 1 1   25   14   15 o  261.321   12.101  869.824   78.968  854.986  115.068  883.033  108.571  255.392   18.161  260.461   16.782 -5.068619 24.72734 
1 1 1   25   14   16 f  288.958   12.124  1064.46   87.488  1140.31  127.696  997.361  120.105  295.436   17.385  276.155   17.507 19.28146 24.67264 
1 1 1   25   14   17 o   86.657   14.994   99.380   31.272  117.769   51.973   88.945   39.153   91.929   22.760   80.600   19.634 11.32877 30.05883 
1 1 1   25   14   18 o   75.595   16.061   76.761   29.383   43.680   49.242   95.053   36.616   62.551   23.398   83.714   18.047 -21.16331 29.54947 
1 1 1   25   14   19 o  128.695   13.330  214.755   42.218  164.930   65.977  249.304   54.939  107.788   24.997  137.559   16.311 -29.77104 29.84794 
1 1 1   25   14   20 o   85.472   15.175   97.204   31.202  105.882   54.167   92.894   38.172   86.525   24.149   82.326   18.959 4.198395 30.70242 
1 1 1   25   14   21 o  265.433   12.582  903.797   83.399  828.819  125.223  963.564  111.802  248.217   20.382  270.972   16.603 -22.75557 26.28840 
1 1 1   25   14   22 o   65.973   17.575   59.389   29.474   39.343   53.693   68.034   35.262   61.963   24.121   70.291   19.437 -8.328609 30.97752 
1 1 1   25   14   23 o  238.040   12.832  731.579   75.995  626.547  115.614  811.483  100.840  213.571   21.992  248.228   16.360 -34.65730 27.40987 
1 1 1   25   14   24 o  140.636   13.607  258.260   47.188  195.402   76.074  297.570   60.160  115.073   26.948  149.646   16.366 -34.57243 31.52789 
1 1 1   25   14   25 o   83.146   16.685   94.230   33.439   59.117   59.900  110.127   40.304   68.895   25.800   89.219   18.689 -20.32367 31.85727 
1 1 1   25   14   26 o   94.137   15.756  119.532   35.729   83.746   63.059  136.454   43.361   76.867   26.774   99.628   18.095 -22.76130 32.31551 
1 1 1   25   14   27 o   57.333   17.991   44.570   28.675   50.140   57.445   42.722   33.093   64.957   25.043   57.050   19.415 7.906506 31.68769 
1 1 1   25   15    0 o   68.032   20.415   61.828   37.449   64.886   38.591   12.425  155.120   69.555   20.690   84.929   37.458 -15.37427 42.79221 
1 1 1   25   15    1 o   80.293   20.572   87.833   41.434   89.332   43.318   71.713  142.051   80.886   21.192   91.127   37.869 -10.24100 43.39496 
1 1 1   25   15    2 o   98.173   18.709  129.118   44.192   99.978   46.300  427.541  148.167   85.480   21.663  169.910   36.038 -84.42989 42.04762 
1 1 1   25   15    3 o  152.452   15.531  301.323   58.302  270.658   62.516  506.067  161.538  143.571   17.820  185.340   36.201 -41.76875 40.34944 
1 1 1   25   15    4 o  119.670   16.044  187.166   46.739  390.763  132.710  158.336   49.939  164.263   33.488  108.912   19.056 55.35143 38.53050 
1 1 1   25   15    5 o   96.294   17.985  123.612   41.657   81.923  127.230  128.618   44.087   90.665   36.535   98.051   18.688 -7.386482 41.03683 
1 1 1   25   15    6 o  370.939   13.341  1753.70  123.578  1752.77  174.907  1754.62  174.626  366.450   19.180  366.680   19.137 -0.2297363 27.09461 
1 1 1   25   15    7 o  151.394   11.999  292.725   44.992  255.866   65.268  326.097   62.105  138.996   19.327  158.556   15.899 -19.56033 25.02650 
1 1 1   25   15    8 o   99.026   12.861  126.782   31.053  131.393   48.559  123.592   40.392   98.563   20.401   96.446   17.412 2.117455 26.82109 
1 1 1   25   15    9 o  127.961   12.421  210.054   39.190  206.946   58.670  212.558   52.662  124.659   19.485  127.292   16.991 -2.633621 25.85269 
1 1 1   25   15   10 o  217.788   11.605  603.569   62.887  600.256   90.877  606.613   87.115  214.867   17.078  216.416   16.238 -1.548615 23.56516 
1 1 1   25   15   11 o  118.260   13.060  180.350   37.924  135.912   57.003  215.638   50.798   99.181   23.395  128.420   16.201 -29.23965 28.45651 
1 1 1   25   15   12 o   86.840   14.584   99.128   30.506   59.203   47.446  127.263   39.829   68.288   23.247   97.936   16.896 -29.64822 28.73888 
1 1 1   25   15   13 o  134.000   12.018  230.193   39.787  222.710   60.652  235.845   52.714  129.169   19.403  134.323   16.032 -5.153793 25.16955 
1 1 1   25   15   14 o  114.032   13.473  168.499   37.625  108.619   57.489  213.364   49.762   88.202   24.972  127.636   15.962 -39.43432 29.63705 
1 1 1   25   15   15 o  180.851   11.642  417.817   52.299  415.487   77.558  419.761   70.825  177.758   17.708  179.515   15.966 -1.756714 23.84268 
1 1 1   25   15   16 o   78.665   15.198   82.340   28.774   54.412   47.612   98.410   36.116   66.156   23.252   85.473   17.510 -19.31692 29.10773 
1 1 1   25   15   17 o   86.917   14.922   99.975   31.221   88.844   50.971  106.659   39.498   80.038   23.772   88.698   18.434 -8.659187 30.08180 
1 1 1   25   15   18 o   72.322   16.837   70.757   29.839   17.376   49.198  101.821   37.530   54.252   22.394   86.713   17.924 -32.46109 28.68382 
1 1 1   25   15   19 o  173.541   17.593  398.369   75.186  349.737   88.666  522.848  141.853  159.470   22.924  188.848   31.167 -29.37814 38.68994 
1 1 1   25   15   20 o   66.766   23.254   57.027   47.566   66.924   52.192   8.5073  115.562   71.232   24.382   73.289   32.327 -2.057243 40.49065 
1 1 1   25   15   21 o  222.279   17.534  653.404   96.536  571.989  118.181  816.657  167.350  203.292   23.726  238.165   28.718 -34.87282 37.25077 
1 1 1   25   15   22 o  101.819   23.314  146.952   58.001  138.725   65.619  176.338  124.022   97.626   26.318  105.782   37.492 -8.156677 45.80721 
1 1 1   25   15   23 o  178.240   18.205  425.325   79.892  384.163   96.965  512.338  140.981  165.209   24.223  184.250   31.790 -19.04083 39.96648 
1 1 1   25   15   24 o   71.903   24.209   70.773   51.446   78.922   58.532   43.095  107.871   75.535   25.820   75.714   32.310 -0.1787415 41.35954 
1 1 1   25   15   25 f  144.401   20.337  287.396   71.302  265.079   86.713  333.988  125.290  134.135   26.825  143.229   35.265 -9.094666 44.30768 
1 1 1   25   15   26 o   62.933   23.717   47.425   50.776   49.034   58.519   42.524  102.144   65.218   25.239   73.400   31.384 -8.182556 40.27384 
1 1 1   25   15   27 o   39.867   18.655 -36.5444   46.356 -23.0473   53.699 -76.0187   91.835   45.891   20.974   53.307   25.339 -7.415890 32.89286 
1 1 1   25   16    0 o  189.272   15.366  464.667   72.001  447.147   78.562  556.611  179.971  184.770   17.225  189.796   39.267 -5.025635 42.87908 
1 1 1   25   16    1 o  215.501   14.309  598.231   76.566  528.563   83.602  960.617  190.672  201.346   16.780  261.133   29.772 -59.78717 34.17520 
1 1 1   25   16    2 o  265.746   15.228  911.316  100.633  877.985  113.797  1030.89  215.541  259.375   17.675  267.745   32.931 -8.369598 37.37472 
1 1 1   25   16    3 o  156.916   15.432  319.598   59.688  314.937   64.182  349.430  162.377  155.205   16.829  148.275   41.964 6.930878 45.21280 
1 1 1   25   16    4 o  121.653   18.465  196.492   54.333  196.492   54.333   0.0000   0.0000  121.653   18.465  ?   ?  0.000000 18.46518 
1 1 1   25   16    5 o  128.217   38.787  251.908  134.782  251.908  134.782   0.0000   0.0000  128.217   38.787  ?   ?  0.000000 38.78688 
1 1 1   25   16    6 o  159.023   11.636  322.710   45.885  289.724   66.306  353.023   63.564  148.287   18.294  164.986   15.614 -16.69914 24.05125 
1 1 1   25   16    7 f   59.015   15.870   46.384   23.896   60.488   39.349   38.143   30.078   67.633   21.050   55.362   18.511 12.27100 28.03181 
1 1 1   25   16    8 o  287.629   11.894  1051.32   85.430  1018.27  121.023  1084.15  120.609  279.822   17.406  289.167   16.775 -9.345612 24.17325 
1 1 1   25   16    9 f  171.527   10.819  374.211   46.103  449.116   68.653  312.689   62.219  186.520   14.863  154.883   16.333 31.63739 22.08334 
1 1 1   25   16   10 o  202.016   11.297  519.456   56.759  488.358   82.075  547.961   78.579  193.459   17.168  205.849   15.398 -12.39001 23.06128 
1 1 1   25   16   11 o  181.901   11.408  421.749   51.556  416.757   75.728  426.062   70.388  178.536   17.198  181.199   15.711 -2.662720 23.29439 
1 1 1   25   16   12 o  207.403   16.015  558.523   82.305   0.0000   0.0000  558.523   82.305  ?   ?   207.403   16.015 0.000000 16.01540 
1 1 1   25   16   13 o  211.574   17.583  586.173   92.055  586.173   92.055   0.0000   0.0000  211.574   17.583  ?   ?  0.000000 17.58279 
1 1 1   25   16   14 o  280.227   11.749  999.688   82.215  1006.08  119.167  993.883  113.574  277.573   17.278  276.389   16.531 1.183990 23.91235 
1 1 1   25   16   15 o  136.181   12.134  238.282   40.833  234.323   62.586  241.215   53.881  132.167   19.553  135.549   16.241 -3.382767 25.41849 
1 1 1   25   16   16 o  164.431   11.848  346.412   48.324  363.361   72.622  332.944   64.735  165.848   17.814  159.300   16.513 6.548019 24.29059 
1 1 1   25   16   17 o   93.113   22.369  120.875   51.364  126.324   56.411   94.449  124.226   94.708   23.863   90.190   36.186 4.517365 43.34578 
1 1 1   25   16   18 f  255.031   17.631  856.211  111.596  762.200  137.770  1035.58  190.303  235.733   23.726  269.711   28.696 -33.97830 37.23400 
1 1 1   25   16   19 o  167.657   17.608  372.420   72.620  306.383   84.389  560.896  142.567  148.636   23.518  196.482   30.009 -47.84596 38.12650 
1 1 1   25   16   20 o  106.281   22.141  157.445   56.854  161.714   63.824  141.035  125.121  106.640   24.484   98.699   37.222 7.940903 44.55277 
1 1 1   25   16   21 o  234.919   17.560  730.160  102.268  650.832  126.025  883.138  175.008  216.877   23.653  247.307   28.882 -30.43025 37.33177 
1 1 1   25   16   22 o   86.368   16.023  100.250   33.286   39.050   58.160  130.059   40.591   63.092   24.940   98.202   17.178 -35.11082 30.28358 
1 1 1   25   16   23 o  145.908   13.395  277.118   48.262  119.919   75.643  385.042   62.676   90.153   29.321  171.453   14.783 -81.30013 32.83730 
1 1 1   25   16   24 o  119.051   13.503  185.621   39.435  134.359   66.086  213.967   49.143   95.286   26.703  126.855   15.860 -31.56881 31.05754 
1 1 1   25   16   25 o  170.759   12.860  379.006   54.433  321.513   86.966  416.036   69.795  150.181   23.997  177.119   15.951 -26.93794 28.81483 
1 1 1   25   16   26 o  128.929   13.647  218.538   43.269  208.300   73.261  224.023   53.621  118.955   25.433  128.783   17.096 -9.827751 30.64487 
1 1 1   25   16   27 o   52.902   17.542   36.654   27.027   20.019   56.610   41.565   30.759   56.392   23.704   56.079   18.720 0.3126259 30.20433 
1 1 1   25   17    0 o   74.132   20.042   75.290   37.990   83.105   39.196 -45.8898  154.338   77.795   20.050   76.586   35.207 1.208473 40.51572 
1 1 1   25   17    1 o   65.330   20.520   56.666   37.296   61.859   38.468 -24.7261  152.286   67.859   20.763   78.676   35.710 -10.81664 41.30717 
1 1 1   25   17    2 o  386.162   16.437  1934.08  158.503  1888.12  184.941  2061.26  307.628  378.105   19.655  377.126   32.998 0.9791870 38.40777 
1 1 1   25   17    3 o   90.727   19.152  111.648   42.028  102.834   43.610  226.575  157.477   86.629   20.482  120.109   42.282 -33.47962 46.98176 
1 1 1   25   17    4 o  145.406   16.152  276.417   57.658  288.721   61.710  191.836  161.797  148.307   16.968  113.545   42.425 34.76215 45.69231 
1 1 1   25   17    5 o   91.880   35.906  100.581  119.334  100.581  119.334   0.0000   0.0000   91.880   35.906  ?   ?  0.000000 35.90613 
1 1 1   25   17    6 o   94.024   33.087  121.342   96.423  154.216  124.101   71.264  153.167  104.079   37.438   92.263   38.897 11.81602 53.98694 
1 1 1   25   17    7 o  190.982   15.719  473.357   74.303  465.797   82.433  506.108  171.587  188.486   17.721  181.430   39.031 7.056442 42.86534 
1 1 1   25   17    8 o  163.914   15.317  348.753   61.968  327.099   67.449  465.972  156.933  157.836   17.402  175.598   36.958 -17.76215 40.85004 
1 1 1   25   17    9 o   51.966   15.956   35.054   22.695   30.584   36.941   37.764   28.763   54.079   20.259   54.759   18.094 -0.6797791 27.16260 
1 1 1   25   17   10 o  201.506   11.745  518.206   58.844  521.614   84.829  515.045   81.695  199.752   17.173  198.766   16.611 0.9851837 23.89226 
1 1 1   25   17   11 o  173.831   13.063  388.242   56.290  346.316   88.851  416.353   72.754  159.537   22.964  178.587   16.500 -19.05060 28.27727 
1 1 1   25   17   12 o  210.920   14.633  574.772   76.595  553.489   86.472  652.302  165.040  205.772   16.980  212.216   32.150 -6.443726 36.35850 
1 1 1   25   17   13 o  258.418   11.898  850.895   76.782  896.850  111.244  809.083  106.111  262.037   17.094  248.778   17.186 13.25928 24.23966 
1 1 1   25   17   14 o  182.247   11.641  424.649   52.702  400.635   77.445  445.363   71.926  174.163   18.070  184.907   15.726 -10.74416 23.95475 
1 1 1   25   17   15 o  187.117   11.943  448.350   55.517  449.099   81.768  447.711   75.617  184.419   17.984  184.894   16.553 -0.4746857 24.44212 
1 1 1   25   17   16 o  218.919   15.129  622.460   82.199  576.162   93.980  773.172  169.563  208.788   18.207  231.943   29.977 -23.15474 35.07281 
1 1 1   25   17   17 o   39.432   17.775 -15.3993   36.980 -18.8320   38.776   19.118  122.959   39.709   18.022   76.948   33.660 -37.23873 38.18074 
1 1 1   25   17   18 f  295.201   18.018  1150.23  132.188  1004.36  167.345  1392.28  215.566  268.970   25.209  313.621   27.813 -44.65097 37.53765 
1 1 1   25   17   19 o   71.925   23.024   70.395   46.768   46.233   50.264  226.223  127.645   63.429   23.657  118.526   38.046 -55.09679 44.80151 
1 1 1   25   17   20 o  161.967   12.341  338.090   49.539  309.957   75.484  359.374   65.656  150.986   20.554  165.249   16.116 -14.26283 26.11889 
1 1 1   25   17   21 f  123.418   12.967  197.925   39.366  146.631   62.932  230.896   50.456  100.925   25.080  132.319   15.568 -31.39413 29.51910 
1 1 1   25   17   22 o   84.120   14.742   94.327   29.839  118.315   53.649   83.582   35.904   91.047   23.452   77.838   18.704 13.20968 29.99788 
1 1 1   25   17   23 o   94.513   15.018  118.952   34.260   82.577   58.458  137.982   42.283   76.937   25.806  100.957   17.400 -24.02002 31.12426 
1 1 1   25   17   24 o  245.607   12.199  776.506   74.818  734.004  113.427  809.241   99.545  232.604   19.713  247.473   16.197 -14.86946 25.51382 
1 1 1   25   17   25 o  114.522   13.565  172.432   38.039  153.897   64.700  182.224   47.025  102.158   25.455  116.352   16.660 -14.19484 30.42209 
1 1 1   25   17   26 o  104.423   14.950  145.640   37.872  126.930   65.840  154.892   46.298   91.720   26.959  106.230   18.102 -14.51004 32.47242 
1 1 1   25   17   27 o   81.171   16.582   90.560   32.476   75.291   61.317   96.513   38.287   73.434   26.326   82.867   18.918 -9.432915 32.41881 
1 1 1   25   18    0 o  174.565   15.553  398.575   67.089  382.415   72.022  504.559  184.448  170.120   17.189  173.463   42.836 -3.343048 46.15584 
1 1 1   25   18    1 o   91.907   19.142  115.280   42.505  125.823   44.102 -22.4163  159.381   96.155   19.041   79.705   36.314 16.44990 41.00260 
1 1 1   25   18    2 o   99.492   18.495  133.758   44.260  124.362   46.048  247.738  160.380   95.300   19.988  122.652   42.700 -27.35198 47.14676 
1 1 1   25   18    3 o   70.451   20.355   67.619   37.823   71.022   39.028   15.046  153.407   72.081   20.634   83.343   36.979 -11.26260 42.34630 
1 1 1   25   18    4 o  123.906   17.054  203.250   51.369  189.473   53.997  334.557  166.702  118.843   18.822  141.663   43.199 -22.82066 47.12133 
1 1 1   25   18    5 o  109.678   38.267  182.051  128.840  182.051  128.840   0.0000   0.0000  109.678   38.267  ?   ?  0.000000 38.26703 
1 1 1   25   18    6 o  225.999   32.199  741.921  176.582  741.921  176.582   0.0000   0.0000  225.999   32.199  ?   ?  0.000000 32.19945 
1 1 1   25   18    7 o  120.897   16.395  192.614   48.221  169.895   50.789  400.380  153.587  112.537   18.731  159.818   38.860 -47.28108 43.13851 
1 1 1   25   18    8 o   86.733   20.205  103.081   42.947  102.371   44.902  110.709  147.151   86.207   21.042   96.966   39.214 -10.75925 44.50349 
1 1 1   25   18    9 o   63.289   20.802   51.895   38.036   41.235   39.589  179.821  137.146   59.083   21.157  109.536   39.362 -50.45237 44.68716 
1 1 1   25   18   10 o  156.674   15.969  320.804   61.604  310.087   67.054  378.819  156.008  153.166   17.867  154.100   40.141 -0.9343414 43.93761 
1 1 1   25   18   11 o  143.920   12.242  266.123   43.581  264.003   64.431  267.910   59.169  140.734   18.804  142.613   16.946 -1.879013 25.31326 
1 1 1   25   18   12 o  246.742   12.464  779.725   76.549  877.977  102.445  655.515  115.186  259.880   15.862  221.038   21.125 38.84187 26.41727 
1 1 1   25   18   13 o  205.316   12.088  539.819   61.701  548.327   89.816  532.216   84.906  204.011   17.808  201.414   17.041 2.597229 24.64819 
1 1 1   25   18   14 o  111.043   12.668  159.681   34.499  164.339   53.779  156.424   44.973  109.772   20.369  108.310   17.203 1.461555 26.66125 
1 1 1   25   18   15 o  202.815   11.848  526.757   59.745  551.909   87.837  505.102   81.503  204.762   17.341  196.141   16.802 8.621796 24.14607 
1 1 1   25   18   16 o   74.202   22.632   75.689   45.751   89.652   49.156 -14.7585  125.107   80.138   23.220   72.666   32.731 7.472000 40.13083 
1 1 1   25   18   17 o  121.736   20.072  201.578   58.891  196.384   64.936  225.643  139.773  118.828   22.711  117.831   39.902 0.9972000 45.91277 
1 1 1   25   18   18 o  117.418   13.483  179.594   38.817  158.787   62.969  192.346   49.298  105.712   24.355  120.215   16.888 -14.50307 29.63700 
1 1 1   25   18   19 o  114.414   12.951  170.203   36.352  153.977   57.373  181.086   46.986  104.771   22.593  116.645   16.599 -11.87347 28.03556 
1 1 1   25   18   20 o   93.799   13.538  115.567   30.792  177.096   52.877   83.995   37.877  114.074   19.247   77.922   19.510 36.15117 27.40604 
1 1 1   25   18   21 o  136.459   12.161  240.638   41.005  256.447   64.837  230.100   52.937  137.492   19.425  131.597   16.469 5.894531 25.46712 
1 1 1   25   18   22 o   76.511   15.839   79.144   29.265   98.385   53.560   70.955   34.942   82.920   24.299   71.600   19.164 11.31972 30.94676 
1 1 1   25   18   23 o   82.759   15.404   92.105   30.664   99.511   54.662   88.705   37.041   83.116   24.602   79.995   18.851 3.120865 30.99368 
1 1 1   25   18   24 o  149.650   12.676  291.013   46.925  247.023   74.052  320.528   60.657  131.878   23.340  155.447   15.848 -23.56862 28.21187 
1 1 1   25   18   25 o   52.351   16.839   36.026   24.995   9.2951   52.559   43.838   28.413   52.573   22.497   57.112   17.906 -4.538986 28.75288 
1 1 1   25   18   26 o   67.034   17.182   62.228   28.895   3.2916   55.564   84.075   33.829   52.168   22.729   77.801   17.798 -25.63311 28.86828 
1 1 1   25   18   27 o  151.151   12.884  299.118   48.167  287.070   79.759  306.035   60.430  140.956   23.486  150.862   16.300 -9.905380 28.58778 
1 1 1   25   19    0 o  134.033   18.176  241.360   59.266  221.944   62.922  394.009  176.433  127.267   20.495  148.752   44.238 -21.48459 48.75467 
1 1 1   25   19    1 o   71.389   20.476   70.296   38.400   67.809   39.459  114.782  166.874   70.242   20.928   97.303   40.788 -27.06037 45.84375 
1 1 1   25   19    2 o  142.249   16.496  267.488   57.508  286.912   61.291  124.552  166.262  147.138   16.994   99.143   41.065 47.99475 44.44259 
1 1 1   25   19    3 o  266.247   15.389  923.007  101.882  873.226  114.273  1115.94  224.961  257.087   17.912  273.117   33.699 -16.02988 38.16341 
1 1 1   25   19    4 o  203.353   14.796  537.400   74.621  537.768   81.330  535.443  187.617  202.637   16.208  179.701   42.480 22.93654 45.46679 
1 1 1   25   19    5 o  141.121   15.992  261.770   55.362  243.213   58.421  425.131  173.340  135.206   17.731  159.363   42.696 -24.15651 46.23133 
1 1 1   25   19    6 o  147.648   37.389  343.501  137.999  343.501  137.999   0.0000   0.0000  147.648   37.389  ?   ?  0.000000 37.38934 
1 1 1   25   19    7 o  222.173   15.767  643.287   86.910  683.387   97.084  481.468  195.024  228.151   17.166  167.415   45.472 60.73647 48.60409 
1 1 1   25   19    8 o  166.991   15.608  364.237   64.332  367.474   69.745  345.777  166.557  167.089   16.950  143.368   43.061 23.72086 46.27640 
1 1 1   25   19    9 o   64.253   20.646   54.510   37.580   44.679   38.853  197.242  148.039   60.172   21.013  112.444   40.826 -52.27240 45.91636 
1 1 1   25   19   10 o  110.717   40.601  189.129  146.932   0.0000   0.0000  189.129  146.932  ?   ?   110.717   40.601 0.000000 40.60055 
1 1 1   25   19   11 o  105.084   20.123  150.739   50.881  150.739   50.881   0.0000   0.0000  105.084   20.123  ?   ?  0.000000 20.12258 
1 1 1   25   19   12 o  142.309   16.762  267.309   58.426  284.014   63.620  177.353  147.632  146.258   17.785  108.128   40.501 38.12994 44.23373 
1 1 1   25   19   13 o  249.765   12.590  800.779   78.273  705.715  111.540  893.013  109.868  230.000   19.607  260.949   16.952 -30.94957 25.91964 
1 1 1   25   19   14 o  276.702   11.696  977.525   80.816  1087.19  117.002  877.467  111.760  288.425   16.311  258.207   17.435 30.21777 23.87555 
1 1 1   25   19   15 o  147.461   15.770  285.592   57.169  244.268   62.198  510.624  145.142  134.768   19.009  184.953   32.617 -50.18558 37.75256 
1 1 1   25   19   16 o   72.604   22.304   72.420   44.340   51.268   47.035  241.281  132.897   64.444   23.062  121.723   38.795 -57.27904 45.13219 
1 1 1   25   19   17 o  343.610   19.150  1572.49  163.667  1351.76  210.078  1913.36  261.062  308.443   27.565  365.117   28.868 -56.67422 39.91465 
1 1 1   25   19   18 o  167.852   12.039  362.569   50.128  367.869   75.108  358.312   67.315  165.855   18.447  164.698   16.593 1.157394 24.81180 
1 1 1   25   19   19 o   67.667   15.833   62.007   26.280   35.697   45.644   75.052   32.141   58.319   22.364   74.073   17.631 -15.75450 28.47786 
1 1 1   25   19   20 o   69.560   15.519   65.404   26.273   70.840   47.149   62.956   31.640   71.838   23.130   67.738   18.281 4.100266 29.48200 
1 1 1   25   19   21 o   63.187   15.882   54.230   25.033  105.366   47.605   34.686   29.430   86.314   22.016   52.896   18.299 33.41832 28.62770 
1 1 1   25   19   22 o  131.153   12.207  222.903   39.521  220.667   63.114  224.345   50.690  126.386   20.715  129.951   15.955 -3.564987 26.14775 
1 1 1   25   19   23 o   53.066   16.358   37.405   23.826   30.323   47.797   39.746   27.485   56.873   22.569   54.928   17.657 1.944397 28.65531 
1 1 1   25   19   24 o  102.849   14.174  140.081   35.437  117.019   60.845  151.919   43.594   89.008   25.846  105.899   17.065 -16.89114 30.97141 
1 1 1   25   19   25 o   64.360   16.525   56.979   26.695  111.329   54.089   39.477   30.694   87.206   24.056   55.200   18.699 32.00543 30.46839 
1 1 1   25   19   26 o  161.839   12.404  341.046   49.750  314.193   80.117  357.898   63.470  148.870   22.232  163.832   15.706 -14.96159 27.22042 
1 1 1   25   19   27 o  125.417   13.129  207.066   40.508  216.551   70.050  202.301   49.652  121.593   23.922  122.058   16.730 -0.4650574 29.19213 
1 1 1   25   20    0 o   64.921   20.829   57.103   38.262   59.486   39.312   14.281  166.674   66.097   21.103   82.727   37.473 -16.63016 43.00656 
1 1 1   25   20    1 o   53.023   19.506   32.044   33.952   33.354   34.648   0.4061  170.249   53.801   19.718   82.245   37.494 -28.44387 42.36275 
1 1 1   25   20    2 o   51.238   19.101   28.654   32.759   24.906   33.401  123.351  167.904   49.934   19.135   97.680   40.928 -47.74632 45.18057 
1 1 1   25   20    3 o   56.056   19.712   38.589   34.218   34.862   34.990  120.272  163.823   54.657   19.848   97.271   40.565 -42.61362 45.16039 
1 1 1   25   20    4 o  121.068   16.937  195.540   49.802  193.754   52.138  214.151  168.299  120.053   17.942  113.488   43.080 6.564957 46.66697 
1 1 1   25   20    5 o   80.676   20.557   90.503   41.534   86.278   42.933  152.181  164.036   78.645   21.324  102.976   41.488 -24.33115 46.64745 
1 1 1   25   20    6 o  131.598   38.327  282.296  133.621  282.296  133.621   0.0000   0.0000  131.598   38.327  ?   ?  0.000000 38.32747 
1 1 1   25   20    7 o  276.118   31.580  1121.67  213.832  1121.67  213.832   0.0000   0.0000  276.118   31.580  ?   ?  0.000000 31.57986 
1 1 1   25   20    8 o  261.136   15.547  889.217  100.925  868.614  113.999  963.904  217.046  256.310   17.924  251.132   35.607 5.178360 39.86369 
1 1 1   25   20    9 o  142.270   18.362  270.727   63.715  225.709   68.680  548.706  170.665  127.727   22.347  186.413   37.952 -58.68557 44.04251 
1 1 1   25   20   10 o  113.930   17.963  174.323   49.411  174.423   51.959  173.371  159.749  113.510   19.002  107.014   41.620 6.496017 45.75311 
1 1 1   25   20   11 o   41.625   17.772   2.2548   32.671   12.227   33.592 -172.2018  140.501   45.433   18.600   61.105   29.627 -15.67213 34.98174 
1 1 1   25   20   12 o  275.030   15.327  985.070  104.849  1021.15  120.697  874.122  211.662  278.352   17.452  237.425   36.898 40.92732 40.81702 
1 1 1   25   20   13 o  233.935   14.919  712.082   86.698  674.902   97.775  848.860  187.533  226.051   17.456  239.177   32.218 -13.12581 36.64317 
1 1 1   25   20   14 o  146.281   15.729  281.465   56.555  248.626   60.912  486.684  152.271  136.142   18.387  177.046   35.674 -40.90370 40.13402 
1 1 1   25   20   15 o  108.513   18.901  159.959   49.357  149.499   52.666  235.434  141.472  103.887   21.023  119.077   40.145 -15.18992 45.31611 
1 1 1   25   20   16 o  140.442   18.450  264.891   63.141  253.824   69.859  314.272  147.568  135.919   21.280  136.537   40.424 -0.6179810 45.68311 
1 1 1   25   20   17 o  291.557   18.484  1131.29  133.878  1028.00  166.881  1317.81  224.250  271.184   24.922  299.779   30.375 -28.59454 39.29062 
1 1 1   25   20   18 o  170.833   11.467  374.846   48.634  410.730   73.023  346.241   65.197  176.127   16.807  161.845   16.356 14.28191 23.45188 
1 1 1   25   20   19 o  119.287   12.676  184.940   37.181  179.809   58.627  188.392   48.088  113.691   21.436  118.769   16.673 -5.078560 27.15720 
1 1 1   25   20   20 o   55.885   16.235   41.975   24.002   31.396   44.943   46.196   28.389   56.461   22.043   58.632   17.815 -2.171677 28.34250 
1 1 1   25   20   21 o   60.703   15.924   50.088   24.439   96.644   46.090   31.879   28.825   82.564   21.969   51.293   18.086 31.27027 28.45622 
1 1 1   25   20   22 o   99.732   13.943  131.368   33.774   90.745   55.942  154.667   42.367   79.579   25.150  107.352   16.318 -27.77252 29.97972 
1 1 1   25   20   23 o   78.663   15.209   83.508   28.795   80.398   51.375   84.932   34.770   75.315   24.133   78.321   18.135 -3.006241 30.18745 
1 1 1   25   20   24 o   71.638   16.196   70.280   28.293   45.592   53.052   80.092   33.446   62.925   24.115   75.986   17.917 -13.06097 30.04307 
1 1 1   25   20   25 f   77.769   15.985   82.606   30.007   63.023   54.796   90.993   35.861   68.800   24.860   80.838   18.203 -12.03856 30.81174 
1 1 1   25   20   26 o  168.509   12.842  371.100   53.633  391.559   84.672  357.391   69.310  167.450   20.689  162.430   17.356 5.019424 27.00513 
1 1 1   25   20   27 o  145.970   12.780  279.445   46.116  264.242   76.311  288.191   57.879  134.680   23.547  146.245   16.116 -11.56476 28.53448 
1 1 1   25   21    0 o  238.462   15.040  748.093   89.103  720.241   97.147  895.682  223.629  232.470   16.849  228.839   40.621 3.630249 43.97675 
1 1 1   25   21    1 o   88.862   21.161  111.795   46.283  122.899   47.960 -38.6828  176.552   93.285   21.084   78.411   36.598 14.87447 42.23710 
1 1 1   25   21    2 o  177.019   15.300  412.897   66.968  393.889   71.113  561.854  199.072  171.973   16.773  174.944   45.234 -2.970886 48.24332 
1 1 1   25   21    3 o  211.424   15.409  587.589   80.793  593.567   87.783  554.473  206.608  211.549   16.754  171.991   46.839 39.55788 49.74557 
1 1 1   25   21    4 o  146.563   15.784  284.127   56.858  285.796   59.863  268.744  181.738  146.543   16.654  120.972   45.010 25.57084 47.99228 
1 1 1   25   21    5 o   73.313   20.368   74.835   38.626   74.575   39.668   79.594  169.649   73.156   20.754   91.535   39.799 -18.37917 44.88516 
1 1 1   25   21    6 o  127.312   17.278  217.000   53.512  230.269   56.182   87.244  175.690  131.035   17.616   93.519   40.581 37.51630 44.23947 
1 1 1   25   21    7 o  302.801   32.594  1378.86  242.577  1378.86  242.577   0.0000   0.0000  302.801   32.594  ?   ?  0.000000 32.59403 
1 1 1   25   21    8 o  235.088   15.937  725.328   93.008  768.931  103.439  541.273  212.520  241.048   17.299  170.707   47.901 70.34151 50.92947 
1 1 1   25   21    9 o   89.991   19.642  111.860   42.901  106.797   44.522  177.616  160.445   87.513   20.697  106.475   41.627 -18.96169 46.48886 
1 1 1   25   21   10 o  127.720   17.090  217.673   53.140  203.290   55.722  362.133  176.593  122.553   18.808  141.910   44.664 -19.35658 48.46301 
1 1 1   25   21   11 o  131.781   17.178  231.680   55.185  229.329   58.590  250.167  164.292  130.455   18.504  120.161   43.092 10.29401 46.89649 
1 1 1   25   21   12 o  278.953   15.618  1017.80  108.358  1053.44  124.390  905.647  220.655  281.957   17.757  238.234   38.395 43.72307 42.30267 
1 1 1   25   21   13 o  104.396   19.169  148.958   48.131  142.310   50.643  211.036  154.763  101.297   20.719  112.619   41.608 -11.32198 46.48112 
1 1 1   25   21   14 o  107.218   18.538  156.189   47.838  160.997   50.621  116.040  146.281  108.499   19.395   94.783   38.810 13.71585 43.38644 
1 1 1   25   21   15 o  189.598   15.770  472.528   73.989  473.142   82.036  469.852  171.299  188.564   17.626  166.428   41.390 22.13586 44.98713 
1 1 1   25   21   16 o  108.428   20.202  162.112   52.687  148.466   56.457  254.171  146.639  102.494   22.660  121.685   40.872 -19.19128 46.73345 
1 1 1   25   21   17 o  112.243   20.521  174.084   55.400  170.484   59.804  195.858  147.092  110.025   22.525  109.014   40.506 1.010422 46.34811 
1 1 1   25   21   18 o   92.328   20.987  119.463   47.292  112.659   50.158  173.934  141.928   89.030   22.539  104.366   39.575 -15.33654 45.54328 
1 1 1   25   21   19 o  129.076   11.922  215.562   37.995  245.472   59.391  194.839   49.435  134.930   18.081  120.579   16.880 14.35117 24.73595 
1 1 1   25   21   20 o   55.599   16.104   41.640   23.648   21.340   44.272   49.745   27.973   52.849   21.462   60.467   17.515 -7.617897 27.70172 
1 1 1   25   21   21 o   85.130   14.289   96.582   29.300   85.455   49.749  102.492   36.255   77.446   23.595   86.576   17.374 -9.129524 29.30148 
1 1 1   25   21   22 o   66.380   16.158   60.299   26.532   36.832   48.346   70.413   31.738   58.998   22.910   71.325   17.859 -12.32713 29.04874 
1 1 1   25   21   23 o  115.026   13.539  174.085   38.145  166.221   62.106  178.848   48.336  107.040   23.846  114.786   17.409 -7.746719 29.52435 
1 1 1   25   21   24 o  120.821   12.658  190.966   37.624  216.587   62.275  176.238   47.215  124.323   20.793  113.928   17.126 10.39451 26.93791 
1 1 1   25   21   25 f   46.501   16.073   26.807   22.706   45.996   49.713   21.749   25.523   61.905   23.434   44.923   16.837 16.98193 28.85597 
1 1 1   25   21   26 o  224.347   12.840  657.331   71.635  621.018  107.815  686.032   95.851  210.803   20.750  225.391   17.159 -14.58752 26.92548 
1 1 1   25   22    0 o  160.390   15.672  342.941   61.968  329.670   64.961  477.058  206.514  156.442   16.897  149.553   48.434 6.889130 51.29692 
1 1 1   25   22    1 o  117.314   18.324  188.666   51.927  193.995   54.021  123.896  188.332  118.687   18.857   95.515   41.723 23.17271 45.78643 
1 1 1   25   22    2 o   79.823   20.749   90.482   41.741   74.248   42.844  393.687  185.161   72.420   21.859  140.613   45.882 -68.19324 50.82290 
1 1 1   25   22    3 o  199.236   15.744  525.583   77.693  484.735   83.455  791.112  212.776  189.797   17.817  213.688   41.369 -23.89069 45.04271 
1 1 1   25   22    4 o  143.336   17.233  276.083   60.445  298.446   63.909   86.399  186.129  148.918   17.521   92.439   40.887 56.47859 44.48311 
1 1 1   25   22    5 o   88.447   19.978  109.462   43.083  111.910   44.425   70.776  176.610   89.285   20.375   89.938   39.802 -0.6533890 44.71405 
1 1 1   25   22    6 o  109.852   18.253  164.431   48.316  164.212   50.265  167.094  175.185  109.359   19.101  103.100   42.373 6.259903 46.47910 
1 1 1   25   22    7 o  112.354   18.218  171.645   49.363  171.645   49.363   0.0000   0.0000  112.354   18.218  ?   ?  0.000000 18.21786 
1 1 1   25   22    8 o  201.328   35.370  639.589  171.333  639.589  171.333   0.0000   0.0000  201.328   35.370  ?   ?  0.000000 35.36951 
1 1 1   25   22    9 o  129.532   18.348  226.980   57.691  226.980   57.691   0.0000   0.0000  129.532   18.348  ?   ?  0.000000 18.34844 
1 1 1   25   22   10 o  167.804   15.535  371.036   64.358  374.059   68.824  349.984  181.636  167.854   16.638  136.524   45.487 31.32993 48.43421 
1 1 1   25   22   11 o  145.769   16.951  283.399   60.550  289.216   64.612  241.459  173.500  146.685   18.018  116.494   43.853 30.19042 47.41002 
1 1 1   25   22   12 o   60.849   20.578   48.227   37.173   41.708   38.212  163.248  160.507   58.273   20.794  102.819   41.175 -44.54615 46.12770 
1 1 1   25   22   13 o   65.949   20.750   59.253   38.116   57.127   39.358   91.362  152.923   65.109   21.149   90.828   38.607 -25.71841 44.02050 
1 1 1   25   22   14 o  138.405   16.541  255.064   56.037  248.874   59.572  302.623  165.128  135.943   17.990  129.176   43.372 6.767975 46.95528 
1 1 1   25   22   15 o   63.810   21.001   54.411   38.761   61.140   40.216 -33.6233  145.455   66.954   21.341   73.658   33.976 -6.703323 40.12282 
1 1 1   25   22   16 o   83.000   21.938   97.663   46.159   99.637   48.575   79.283  148.205   83.614   22.687   88.238   37.768 -4.623909 44.05824 
1 1 1   25   22   17 o   58.270   21.165   40.904   39.791   44.586   41.516  -0.6415  139.472   60.149   21.652   75.956   34.354 -15.80639 40.60775 
1 1 1   25   22   18 o  175.090   16.502  407.190   71.299  404.801   78.610  418.272  169.307  173.304   18.448  152.840   42.708 20.46364 46.52213 
1 1 1   25   22   19 o  149.477   16.963  298.883   62.195  299.764   67.342  293.766  162.218  148.775   18.527  126.310   42.986 22.46419 46.80846 
1 1 1   25   22   20 o  189.516   16.772  478.605   78.555  507.458   88.244  368.434  172.434  193.931   18.444  139.842   44.150 54.08861 47.84781 
1 1 1   25   22   21 o   82.782   22.478   98.439   47.665   99.632   50.375   88.237  147.309   83.022   23.330   88.105   37.681 -5.083572 44.31902 
1 1 1   25   22   22 o  130.134   13.405  222.156   42.938  158.773   66.351  267.828   56.322  103.327   25.795  141.495   16.234 -38.16817 30.47784 
1 1 1   25   22   23 o  106.633   13.282  149.878   34.600  180.971   57.901  132.608   43.153  113.109   21.280   97.964   18.313 15.14431 28.07516 
1 1 1   25   22   24 o   99.300   13.523  130.692   32.661  138.507   56.128  126.691   40.161   97.257   23.396   96.015   17.390 1.241722 29.15086 
1 1 1   25   22   25 o  121.581   13.388  195.113   39.975  192.235   65.809  196.796   50.324  114.468   23.799  120.042   17.286 -5.574059 29.41390 
1 1 1   25   22   26 o  177.826   13.646  416.915   60.135  400.403   88.179  431.270   82.221  167.936   21.522  176.703   18.928 -8.767288 28.66101 
1 1 1   25   23    0 o   86.244   19.502  105.595   41.017  105.511   42.063  107.214  185.043   85.985   19.972   90.737   40.417 -4.751717 45.08202 
1 1 1   25   23    1 o   77.935   19.989   86.625   39.090   79.609   39.895  255.152  195.521   74.537   20.698  110.886   45.074 -36.34869 49.59935 
1 1 1   25   23    2 o  133.672   18.601  245.676   60.409  236.972   63.504  328.488  195.882  130.234   20.179  123.477   46.571 6.757126 50.75518 
1 1 1   25   23    3 o  130.214   18.743  233.112   59.189  221.406   62.156  347.018  193.883  125.763   20.498  127.960   46.682 -2.197289 50.98361 
1 1 1   25   23    4 o   78.394   20.404   87.290   40.331   90.855   41.372   19.109  180.921   79.909   20.601   83.200   38.200 -3.291016 43.40078 
1 1 1   25   23    5 o   61.378   20.041   50.897   35.323   47.864   36.025  126.455  179.826   60.084   20.258   95.590   41.268 -35.50551 45.97165 
1 1 1   25   23    6 o   71.829   20.102   72.568   37.478   72.262   38.316   79.332  180.160   71.642   20.423   90.231   40.053 -18.58960 44.95901 
1 1 1   25   23    7 f   86.636   39.017   47.361  177.683   0.0000   0.0000   47.361  177.683  ?   ?    86.636   39.017 0.000000 39.01696 
1 1 1   25   23    8 o  232.263   33.079  839.742  186.438  839.742  186.438   0.0000   0.0000  232.263   33.079  ?   ?  0.000000 33.07895 
1 1 1   25   23    9 o  158.426   30.710  383.613  117.108  376.572  146.385  396.131  195.178  148.088   39.033  140.671   47.154 7.416901 61.21345 
1 1 1   25   23   10 o  146.474   17.008  287.505   61.051  293.199   64.594  239.826  186.920  147.398   17.917  113.844   44.804 33.55315 48.25359 
1 1 1   25   23   11 o   66.943   20.760   61.829   38.311   57.787   39.365  134.242  166.615   65.190   21.150   97.269   40.764 -32.07903 45.92440 
1 1 1   25   23   12 o   58.649   20.263   44.124   36.083   47.344   36.996 -18.7089  163.423   60.245   20.528   78.132   36.031 -17.88707 41.46867 
1 1 1   25   23   13 o  126.493   17.175  215.296   52.850  211.947   55.503  247.837  173.012  124.881   18.345  116.133   43.776 8.748505 47.46452 
1 1 1   25   23   14 o  177.776   15.355  416.878   67.498  360.529   72.410  790.401  186.428  163.611   18.022  224.344   34.373 -60.73289 38.81063 
1 1 1   25   23   15 o  136.475   17.139  250.121   57.122  263.789   60.787  146.912  167.037  139.819   17.814   99.218   41.134 40.60094 44.82580 
1 1 1   25   23   16 f   75.979   21.800   81.797   43.521   81.096   45.301   90.197  156.776   75.611   22.400   89.952   38.683 -14.34155 44.70019 
1 1 1   25   23   17 o   56.309   20.966   36.555   39.447   35.104   40.842   56.710  152.225   56.171   21.246   84.693   37.240 -28.52229 42.87409 
1 1 1   25   23   18 o  118.886   18.631  193.330   53.494  187.812   56.854  235.930  157.961  116.216   20.331  113.991   42.051 2.224983 46.70825 
1 1 1   25   23   19 o  108.318   20.022  163.386   52.163  168.798   55.245  118.894  158.391  109.631   20.943   93.557   39.505 16.07380 44.71275 
1 1 1   25   23   20 o  182.459   16.426  444.194   74.042  462.392   81.740  360.997  174.775  185.089   17.909  136.041   44.586 49.04778 48.04792 
1 1 1   25   23   21 o   75.424   22.543   81.559   45.730   90.134   47.969  -3.9162  151.446   78.962   22.955   76.325   35.009 2.636734 41.86320 
1 1 1   25   23   22 o   74.813   22.970   80.513   47.034   93.062   49.492 -36.5114  151.142   79.933   23.339   72.580   33.872 7.352859 41.13429 
1 1 1   25   23   23 o  119.473   20.218  200.213   58.167  200.832   62.500  196.207  158.999  118.569   21.916  103.698   41.159 14.87097 46.63029 
1 1 1   25   23   24 o  102.433   21.837  151.406   54.152  142.458   57.718  217.176  156.486   98.102   23.803  106.621   41.270 -8.518951 47.64188 
1 1 1   25   23   25 o   53.207   16.472   38.325   24.129   18.072   49.145   44.758   27.697   52.871   22.148   57.127   17.641 -4.255974 28.31483 
1 1 1   25   24    0 o  136.185   16.979  254.171   56.489  251.088   58.644  293.831  210.333  134.723   17.872  110.672   46.043 24.05158 49.38994 
1 1 1   25   24    1 o   69.599   20.304   69.579   37.470   70.243   38.173   52.062  196.134   69.872   20.525   84.726   39.212 -14.85421 44.25910 
1 1 1   25   24    2 o  114.856   17.489  181.528   48.579  178.805   50.149  222.987  195.679  113.487   18.319  104.456   43.997 9.030670 47.65861 
1 1 1   25   24    3 o  109.704   19.957  169.806   52.658  151.278   54.587  418.062  199.813  102.146   22.047  136.283   47.649 -34.13625 52.50253 
1 1 1   25   24    4 o   64.043   20.303   57.120   36.437   56.448   37.122   74.799  190.514   63.776   20.523   88.263   40.015 -24.48780 44.97047 
1 1 1   25   24    5 o   68.077   20.151   65.436   36.671   61.493   37.346  171.589  193.767   66.213   20.491  100.024   43.009 -33.81091 47.64102 
1 1 1   25   24    6 o   85.700   39.192   43.091  187.866   0.0000   0.0000   43.091  187.866  ?   ?    85.700   39.192 0.000000 39.19201 
1 1 1   25   24    7 o  111.430   17.678  169.849   47.550  153.917   49.058  417.105  193.262  105.062   19.414  141.367   46.911 -36.30499 50.76966 
1 1 1   25   24    8 o  116.005   17.940  184.062   50.291  189.541   51.993  104.464  198.181  117.546   18.309   93.734   41.784 23.81152 45.61932 
1 1 1   25   24    9 o  174.377   37.515  512.563  158.515  512.563  158.515   0.0000   0.0000  174.377   37.515  ?   ?  0.000000 37.51509 
1 1 1   25   24   10 o   85.931   19.800  103.966   41.614  102.168   42.783  135.530  179.294   84.912   20.426   96.664   41.462 -11.75181 46.22057 
1 1 1   25   24   11 o  119.176   17.416  192.754   50.302  190.706   52.145  220.212  190.902  118.070   18.276  108.987   44.447 9.083740 48.05793 
1 1 1   25   24   12 o   79.308   21.453   89.802   43.513   90.312   44.899   81.923  176.490   79.400   21.923   89.996   39.810 -10.59650 45.44754 
1 1 1   25   24   13 o  222.578   14.830  651.981   81.954  648.365   88.987  672.180  210.331  220.833   16.251  190.241   44.982 30.59167 47.82740 
1 1 1   25   24   14 o   66.762   21.268   61.673   39.943   78.483   41.046 -238.7300  173.510   74.389   21.114   62.996   31.036 11.39216 37.53725 
1 1 1   25   24   15 o   63.131   20.857   53.904   38.217   51.307   39.296   99.291  164.260   62.143   21.157   90.973   39.357 -28.82980 44.68336 
1 1 1   25   24   16 o   56.492   20.674   38.396   38.072   28.517   39.090  220.685  167.909   53.029   20.598  109.655   42.664 -56.62602 47.37600 
1 1 1   25   24   17 o   39.862   17.604  -5.7876   34.371  -3.7517   35.197 -47.6807  159.659   40.890   17.945   73.630   34.508 -32.74001 38.89475 
1 1 1   25   24   18 o  129.858   18.126  230.064   57.175  217.365   60.644  331.663  171.530  124.993   20.111  129.785   44.202 -4.791336 48.56200 
1 1 1   25   24   19 o  113.027   19.662  177.883   53.481  189.543   56.632   81.768  162.601  116.422   20.213   87.731   38.534 28.69099 43.51305 
1 1 1   25   24   20 o  201.736   16.041  542.872   80.142  554.092   88.313  490.519  190.764  202.486   17.642  156.757   45.836 45.72972 49.11350 
1 1 1   25   24   21 o   91.310   21.661  120.227   48.647  120.688   51.038  115.642  160.812   91.032   22.565   91.261   39.210 -0.2298737 45.23896 
1 1 1   25   24   22 o   73.805   22.971   78.800   46.856   90.881   49.166 -40.8099  154.699   78.725   23.339   72.126   33.855 6.599075 41.12062 
1 1 1   25   24   23 o   47.166   19.959   9.8512   40.569   17.024   42.050 -86.6372  154.222   49.922   20.663   67.702   32.363 -17.78002 38.39684 
1 1 1   25   24   24 o   89.683   23.212  119.474   52.386  144.868   55.287 -103.6011  163.863   99.211   22.795   67.852   32.674 31.35901 39.83985 
1 1 1   25   24   25 o   82.274   37.616   52.887  172.924   52.887  172.924   0.0000   0.0000   82.274   37.616  ?   ?  0.000000 37.61596 
1 1 1   25   25    0 o   56.074   19.635   42.241   33.934   41.732   34.437   59.280  199.160   55.932   19.764   82.319   38.568 -26.38682 43.33668 
1 1 1   25   25    1 o  112.354   17.978  176.814   48.740  180.535   50.156  113.665  206.613  113.299   18.355   88.469   40.694 24.82951 44.64200 
1 1 1   25   25    2 o   80.976   20.128   95.246   40.526   97.623   41.355   37.659  203.521   81.900   20.318   82.655   38.809 -0.7548752 43.80566 
1 1 1   25   25    3 o  206.664   15.197  572.251   77.877  572.886   83.171  567.732  221.829  205.717   16.324  152.255   50.246 53.46190 52.83132 
1 1 1   25   25    4 o   78.963   21.388   91.171   43.216   96.405   44.282 -13.5864  198.115   81.136   21.508   79.355   37.573 1.781502 43.29358 
1 1 1   25   25    5 o   44.539   18.335   13.107   32.869   8.7845   33.331  165.821  198.107   43.308   18.195   96.978   42.566 -53.66936 46.29147 
1 1 1   25   25    6 o  139.542   17.025  265.159   58.096  271.731   60.491  187.062  208.539  140.909   17.573  100.239   43.842 40.66991 47.23297 
1 1 1   25   25    7 o  140.936   17.274  270.630   59.523  290.511   61.963   33.051  214.199  146.036   17.329   86.198   40.260 59.83754 43.83084 
1 1 1   25   25    8 o   79.886   20.798   91.816   41.897  100.825   42.885 -96.9178  196.293   83.810   20.630   74.583   35.877 9.227295 41.38517 
1 1 1   25   25    9 o  194.643   16.289  508.014   78.446  508.014   78.446   0.0000   0.0000  194.643   16.289  ?   ?  0.000000 16.28903 
1 1 1   25   25   10 o   98.374   35.384  163.021  110.851  174.145  130.743  134.579  209.061  100.127   37.980   96.308   42.924 3.819221 57.31457 
1 1 1   25   25   11 o   60.541   20.152   49.490   35.655   52.260   36.340 -21.8655  184.429   61.896   20.333   79.089   37.073 -17.19329 42.28294 
1 1 1   25   25   12 o  107.836   18.382  160.624   47.726  152.319   49.162  296.560  198.892  104.293   19.596  118.045   46.293 -13.75209 50.26966 
1 1 1   25   25   13 o   95.761   19.550  128.820   45.168  137.617   46.547 -13.1215  186.972   99.079   19.507   80.378   37.566 18.70094 42.32862 
1 1 1   25   25   14 o  108.089   18.851  162.044   49.031  155.696   50.726  252.322  191.281  105.253   20.031  111.918   44.903 -6.665543 49.16839 
1 1 1   25   25   15 o   59.992   20.827   47.300   38.140   52.705   39.044 -65.4599  178.320   62.457   21.090   74.691   35.447 -12.23472 41.24605 
1 1 1   25   25   16 o   82.719   21.422   98.558   44.602  101.690   46.126   53.489  174.986   83.864   21.817   85.179   38.507 -1.314407 44.25780 
1 1 1   25   25   17 o   64.763   21.454   57.790   40.427   58.220   41.591   50.417  172.084   65.060   21.768   84.358   38.156 -19.29781 43.92859 
1 1 1   25   25   18 o   54.740   20.351   35.355   37.139   26.191   38.049  219.984  170.788   51.552   20.238  107.029   42.602 -55.47725 47.16468 
1 1 1   25   25   19 o   93.671   20.824  125.561   47.449  113.223   49.328  278.306  173.563   88.082   22.381  116.477   43.858 -28.39500 49.23834 
1 1 1   25   25   20 o  193.605   16.530  504.536   79.152  530.685   86.786  375.209  193.002  197.478   17.790  130.377   46.711 67.10153 49.98347 
1 1 1   25   25   21 o  107.680   20.102  164.163   52.066  143.081   54.610  374.800  172.617   98.860   22.612  134.221   44.325 -35.36099 49.75939 
1 1 1   25   25   22 o   65.735   22.293   60.337   43.628   56.500   45.229  111.687  165.444   64.381   22.660   89.171   39.025 -24.78979 45.12660 
1 1 1   25   25   23 o   70.500   22.709   72.046   45.447   68.549   47.199  116.546  168.363   69.133   23.188   89.328   39.223 -20.19429 45.56486 
1 1 1   25   25   24 o   50.528   21.104   17.014   44.439   17.014   44.439   0.0000   0.0000   50.528   21.104  ?   ?  0.000000 21.10434 
1 1 1   25   26    0 o   68.815   30.883   38.615  110.229   38.615  110.229   0.0000   0.0000   68.815   30.883  ?   ?  0.000000 30.88317 
1 1 1   25   26    1 o   76.314   20.234   86.437   39.188   87.973   39.851   41.409  215.728   76.902   20.412   80.296   38.353 -3.393738 43.44660 
1 1 1   25   26    2 o   50.319   19.074   29.700   32.964   30.794   33.392 -12.2018  206.604   50.891   19.220   76.846   36.925 -25.95464 41.62794 
1 1 1   25   26    3 o  225.232   15.647  687.624   87.460  681.516   93.702  728.941  243.700  222.689   16.978  164.881   52.533 57.80804 55.20813 
1 1 1   25   26    4 o   73.005   20.247   77.915   38.203   73.124   38.881  211.601  205.384   70.666   20.702   98.185   43.212 -27.51920 47.91482 
1 1 1   25   26    5 o   79.143   21.614   92.748   43.922  106.104   44.987 -179.3759  203.062   84.861   21.270   68.308   33.638 16.55292 39.79876 
1 1 1   25   26    6 o  119.475   17.838  198.333   51.589  198.333   51.589   0.0000   0.0000  119.475   17.838  ?   ?  0.000000 17.83771 
1 1 1   25   26    7 o   90.379   19.698  117.037   43.203  126.762   44.213 -88.5789  203.296   94.317   19.419   74.328   35.941 19.98914 40.85152 
1 1 1   25   26    8 o   65.139   20.262   60.234   36.464   55.609   37.065  199.349  203.270   63.013   20.526   99.994   43.521 -36.98072 48.11834 
1 1 1   25   26    9 o  119.470   17.458  196.511   50.548  206.895   52.124   32.517  207.143  122.588   17.526   84.219   39.418 38.36914 43.13838 
1 1 1   25   26   10 o   93.904   36.520  151.432  122.993  151.432  122.993   0.0000   0.0000   93.904   36.520  ?   ?  0.000000 36.52030 
1 1 1   25   26   11 o   72.516   21.203   75.970   40.822   72.553   41.667  157.656  203.712   70.933   21.590   96.524   42.731 -25.59172 47.87518 
1 1 1   25   26   12 o   96.240   19.632  131.260   45.582  120.436   46.703  348.716  209.328   91.397   20.915  121.758   47.563 -30.36089 51.95823 
1 1 1   25   26   13 o   75.489   20.488   82.006   39.610   81.571   40.391   92.910  202.323   75.197   20.806   90.113   41.001 -14.91647 45.97786 
1 1 1   25   26   14 o   83.539   20.730  100.640   43.039  105.690   44.123   1.5914  195.396   85.585   20.840   81.291   38.123 4.294067 43.44690 
1 1 1   25   26   15 o  137.161   17.386  257.052   58.213  259.225   60.818  233.314  201.033  137.197   18.201  106.175   44.651 31.02221 48.21838 
1 1 1   25   26   16 o   90.743   20.509  118.146   45.381  119.493   46.675   94.867  194.084   91.027   20.966   89.687   40.548 1.340012 45.64793 
1 1 1   25   26   17 o   98.633   21.484  140.730   51.419  150.837   53.471   16.562  187.420  102.106   21.643   81.425   37.905 20.68133 43.64895 
1 1 1   25   26   18 o   58.004   21.069   42.762   39.434   54.505   40.462 -179.4480  176.017   63.004   21.468   65.177   31.939 -2.173527 38.48383 
1 1 1   25   26   19 o   53.946   20.383   33.779   37.565   33.160   38.440   46.897  177.045   53.968   20.564   82.661   37.892 -28.69306 43.11229 
1 1 1   25   26   20 o  118.361   19.540  197.381   55.738  210.298   58.612   75.268  180.214  121.970   19.932   85.521   38.828 36.44931 43.64518 
1 1 1   25   26   21 o   91.161   21.735  121.909   48.781  135.005   50.763 -36.0216  176.285   96.090   21.672   74.462   35.311 21.62739 41.43078 
1 1 1   25   26   22 o   56.719   21.389   39.081   41.312   41.439   42.591   1.5871  169.857   57.893   21.740   76.378   35.731 -18.48495 41.82509 
1 1 1   25   26   23 o  105.633   21.134  162.261   53.801  155.268   56.436  231.945  178.155  102.176   22.708  103.222   42.612 -1.045975 48.28437 
1 1 1   25   27    0 o   58.706   27.616 -20.2355  103.870 -20.2355  103.870   0.0000   0.0000   58.706   27.616  ?   ?  0.000000 27.61561 
1 1 1   25   27    1 o   65.155   29.767   22.198  108.038   22.198  108.038   0.0000   0.0000   65.155   29.767  ?   ?  0.000000 29.76695 
1 1 1   25   27    2 o  147.406   15.902  300.731   57.609  299.845   59.457  314.320  232.838  146.630   16.526   99.900   44.856 46.72963 47.80328 
1 1 1   25   27    3 o  155.301   16.010  332.764   61.200  313.637   63.410  592.880  233.839  149.588   17.294  137.309   51.062 12.27911 53.91121 
1 1 1   25   27    4 o  100.211   35.288  197.040  109.697  245.353  126.935   54.521  218.018  108.117   37.968   81.208   38.724 26.90912 54.23252 
1 1 1   25   27    5 o   58.929   20.215   48.466   35.880   48.466   35.880   0.0000   0.0000   58.929   20.215  ?   ?  0.000000 20.21469 
1 1 1   25   27    6 o   35.515   15.884  -7.3780   28.892  -9.6598   29.175  108.844  208.214   35.067   15.800   86.532   40.173 -51.46506 43.16785 
1 1 1   25   27    7 o   87.446   20.342  111.951   43.584  120.994   44.560 -87.8050  209.423   91.139   20.117   73.283   35.677 17.85616 40.95821 
1 1 1   25   27    8 o  140.436   16.200  269.683   55.771  254.360   57.621  496.838  221.851  135.443   17.442  135.222   49.843 0.2207947 52.80680 
1 1 1   25   27    9 o   97.670   19.604  136.901   46.152  147.970   47.265 -89.7825  213.898  101.839   19.292   74.485   36.215 27.35396 41.03326 
1 1 1   25   27   10 o   62.609   20.513   55.326   36.996   59.831   37.564 -90.3774  213.617   64.693   20.626   74.723   36.299 -10.02943 41.74964 
1 1 1   25   27   11 o  111.733   38.858  246.855  132.795  246.855  132.795   0.0000   0.0000  111.733   38.858  ?   ?  0.000000 38.85757 
1 1 1   25   27   12 o  181.970   15.827  447.338   71.205  452.419   75.174  402.991  222.069  182.234   16.705  123.670   48.783 58.56401 51.56358 
1 1 1   25   27   13 o   49.978   19.135   27.505   33.382   28.088   33.847   6.6972  202.064   50.367   19.272   80.564   38.086 -30.19684 42.68398 
1 1 1   25   27   14 o   64.105   20.639   58.213   37.541   54.402   38.156  173.423  209.801   62.429   20.850   96.202   42.930 -33.77282 47.72494 
1 1 1   25   27   15 o   50.248   19.332   27.479   34.174   26.171   34.678   71.512  201.214   49.918   19.398   85.988   39.768 -36.07001 44.24688 
1 1 1   25   27   16 o  119.837   18.032  199.711   52.290  183.998   53.968  440.683  211.344  113.865   19.693  132.577   48.682 -18.71226 52.51394 
1 1 1   25   27   17 o   90.562   20.971  119.563   46.492  125.710   47.756   8.0269  203.432   92.851   21.078   80.777   38.195 12.07466 43.62497 
1 1 1   25   27   18 o   67.467   21.698   65.651   41.502   66.640   42.523   45.806  190.462   67.908   21.977   82.450   38.326 -14.54175 44.17943 
1 1 1   25   27   19 o   38.958   17.170  -3.5094   32.530   1.6514   33.047 -164.7376  184.710   40.742   17.640   66.410   32.579 -25.66796 37.04784 
1 1 1   25   27   20 o   89.260   21.329  117.275   46.892  118.446   48.453   99.978  186.220   89.377   21.884   86.669   39.396 2.708618 45.06596 
1 1 1   25   27   21 o   77.711   22.320   90.344   45.601   96.004   47.078   4.3694  183.475   79.940   22.585   77.272   36.457 2.667625 42.88568 
1 1 1   25   27   22 o   59.324   21.766   46.411   42.235   47.511   43.441   27.434  180.476   59.949   22.062   78.459   36.745 -18.50954 42.85918 
1 1 1   25   28    1 o   66.291   29.907   47.849  104.939   47.849  104.939   0.0000   0.0000   66.291   29.907  ?   ?  0.000000 29.90731 
1 1 1   25   28    2 o   93.242   35.860  196.258  117.570  196.258  117.570   0.0000   0.0000   93.242   35.860  ?   ?  0.000000 35.86045 
1 1 1   25   28    3 o  114.695   35.821  274.998  113.830  228.160  128.962  440.182  242.186   98.939   37.674  106.888   46.986 -7.948204 60.22463 
1 1 1   25   28    4 o   84.558   20.429  108.026   42.653  108.026   42.653   0.0000   0.0000   84.558   20.429  ?   ?  0.000000 20.42855 
1 1 1   25   28    5 o   68.060   20.518   69.628   37.764   70.984   38.319   23.812  222.682   68.634   20.663   77.268   37.424 -8.633629 42.74921 
1 1 1   25   28    6 o   62.517   20.330   57.220   36.365   54.360   36.860  161.642  222.700   61.226   20.492   87.683   40.986 -26.45616 45.82298 
1 1 1   25   28    7 o   89.235   21.537  120.343   47.444  130.475   48.613 -82.7457  217.647   93.158   21.354   72.255   35.430 20.90313 41.36718 
1 1 1   25   28    8 o   52.891   19.542   35.541   34.141   34.023   34.555   97.769  221.224   52.365   19.598   84.423   39.892 -32.05888 44.44597 
1 1 1   25   28    9 o  147.018   16.581  298.843   59.811  306.491   62.016  196.994  226.300  148.522   17.029   93.200   42.766 55.32241 46.03120 
1 1 1   25   28   10 o   50.035   19.135   28.752   33.357   28.619   33.740   34.506  222.069   50.098   19.224   81.109   38.789 -31.01055 43.29155 
1 1 1   25   28   11 o  178.387   16.758  438.253   73.777  438.253   73.777   0.0000   0.0000  178.387   16.758  ?   ?  0.000000 16.75821 
1 1 1   25   28   12 o   69.253   31.536   19.509  120.022   19.509  120.022   0.0000   0.0000   69.253   31.536  ?   ?  0.000000 31.53640 
1 1 1   25   28   13 o   94.420   19.257  128.311   43.867  133.160   44.811   16.844  214.852   96.188   19.326   80.286   38.328 15.90225 42.92494 
1 1 1   25   28   14 o   85.423   20.323  106.965   42.723  110.084   43.590   30.861  215.319   86.595   20.479   81.449   38.740 5.146133 43.81977 
1 1 1   25   28   15 o   56.871   20.141   43.282   35.783   40.217   36.259  157.664  221.480   55.659   20.206   91.906   42.222 -36.24702 46.80766 
1 1 1   25   28   16 o   55.764   20.027   40.830   35.499   33.199   35.996  311.419  214.361   52.742   19.947  108.503   45.894 -55.76062 50.04144 
1 1 1   25   28   17 o  134.313   17.299  250.406   56.672  255.852   58.648  173.639  220.189  135.418   17.772   93.213   42.551 42.20513 46.11312 
1 1 1   25   28   18 o   73.569   22.043   80.979   43.684   74.670   44.622  226.257  214.131   70.786   22.471   98.258   43.638 -27.47123 49.08430 
1 1 1   25   28   19 o   80.265   21.312   96.090   43.432   94.013   44.461  139.417  203.046   79.143   21.801   89.262   40.791 -10.11969 46.25192 
1 1 1   25   28   20 o  169.802   16.859  397.863   70.541  390.269   74.355  466.246  223.125  166.958   18.125  126.762   49.220 40.19633 52.45084 
1 1 1   25   28   21 o   96.096   21.546  137.754   50.427  131.561   52.104  229.353  200.385   93.068   22.636   97.748   42.859 -4.680435 48.46957 
1 1 1   25   29    4 o   80.799   20.307  100.759   40.927   98.903   41.533  162.882  240.316   79.748   20.682   81.020   39.153 -1.271568 44.27927 
1 1 1   25   29    5 o   41.901   17.388   13.046   29.892   14.183   30.165 -48.7961  222.492   42.425   17.525   70.280   34.723 -27.85548 38.89483 
1 1 1   25   29    6 o   36.827   16.080   0.6336   27.944   0.9266   28.170 -17.3846  220.905   37.048   16.161   72.548   35.598 -35.50067 39.09470 
1 1 1   25   29    7 o   50.083   19.368   29.887   34.443   29.124   34.841   62.687  228.434   49.901   19.429   78.193   37.880 -28.29207 42.57165 
1 1 1   25   29    8 o   47.947   18.728   25.659   32.453   23.694   32.792  119.259  226.353   47.300   18.718   82.523   39.381 -35.22323 43.60289 
1 1 1   25   29    9 o  157.175   16.060  342.967   62.149  332.897   64.132  498.277  251.862  153.965   16.962  115.015   49.233 38.94918 52.07264 
1 1 1   25   29   10 o   67.957   20.665   69.357   38.185   77.967   38.737 -226.2415  226.968   71.923   20.545   65.863   32.948 6.059975 38.82924 
1 1 1   25   29   11 o  123.229   18.127  216.414   54.114  229.292   55.605 -14.0499  235.229  126.954   18.048   76.696   37.442 50.25770 41.56492 
1 1 1   25   29   12 o   67.437   21.527   68.207   40.908   68.207   40.908   0.0000   0.0000   67.437   21.527  ?   ?  0.000000 21.52695 
1 1 1   25   29   13 o  115.946   37.089  274.774  121.380  402.458  140.637 -98.0583  240.318  140.331   38.822   73.530   36.283 66.80145 53.13764 
1 1 1   25   29   14 o   49.987   19.047   29.445   32.979   25.706   33.326  206.444  229.287   48.605   18.980   92.426   42.642 -43.82112 46.67580 
1 1 1   25   29   15 o   73.502   20.445   80.647   38.893   81.546   39.456   49.788  231.144   73.830   20.613   81.165   39.015 -7.335648 44.12542 
1 1 1   25   29   16 o  132.305   16.935  244.335   54.669  231.037   56.055  503.267  247.351  127.711   18.082  121.652   50.214 6.059265 53.37009 
1 1 1   25   29   17 o   40.191   17.392   2.8753   32.089   3.9216   32.430 -46.1177  221.908   40.685   17.545   74.838   36.498 -34.15281 40.49599 
1 1 1   25   29   18 o   70.379   21.577   74.669   41.519   72.481   42.225  138.500  228.052   69.357   21.842   87.011   40.927 -17.65402 46.39043 
1 1 1   25   30    9 f   61.696   20.477   57.466   36.823   57.312   37.269   63.811  238.839   61.617   20.606   76.527   37.438 -14.90991 42.73399 
1 1 1   25   30   10 o   76.875   20.614   91.051   40.387   91.547   40.922   72.453  250.450   76.964   20.798   78.022   38.205 -1.057861 43.49919 
1 1 1   25   30   11 o   48.616   19.063   26.948   33.722   28.403   34.044 -48.8539  245.697   49.275   19.200   72.710   36.025 -23.43534 40.82201 
1 1 1   25   30   12 o   65.105   20.795   64.276   38.167   64.990   38.630   34.971  247.407   65.399   20.924   77.144   37.816 -11.74523 43.21897 
1 1 1   25   30   13 o   77.909   33.542  106.784  118.142  106.784  118.142   0.0000   0.0000   77.909   33.542  ?   ?  0.000000 33.54213 
1 1 1   25   30   14 o   72.021   20.866   79.355   39.695   83.048   40.242 -53.7325  241.594   73.630   20.909   73.238   36.184 0.3922958 41.79042 
1 1 1   26   -8    0 o   44.686   19.214   1.8805   38.667 -57.5803  201.796   4.1469   39.397   82.797   38.801   45.711   19.517 37.08588 43.43323 
1 1 1   26   -8    1 o   77.694   23.057   85.156   47.967  298.894  217.302   74.208   49.180  124.630   48.523   73.243   23.627 51.38789 53.96925 
1 1 1   26   -8    2 o  115.232   23.603  189.090   65.634   0.0000   0.0000  189.090   65.634  ?   ?   115.232   23.603 0.000000 23.60288 
1 1 1   26   -7    0 o  222.458   18.964  660.496  104.343  808.968  237.293  624.906  116.178  217.347   45.194  213.959   22.061 3.387863 50.29049 
1 1 1   26   -7    1 o  108.809   22.755  166.271   59.841   0.0000   0.0000  166.271   59.841  ?   ?   108.809   22.755 0.000000 22.75504 
1 1 1   26   -7    2 o   99.914   43.567  111.337  204.534  111.337  204.534   0.0000   0.0000   99.914   43.567  ?   ?  0.000000 43.56708 
1 1 1   26   -7    3 o  148.171   19.956  298.929   71.961  502.436  221.127  274.824   76.103  159.744   49.932  140.495   22.447 19.24884 54.74530 
1 1 1   26   -7    4 o  196.458   18.460  518.043   89.500  1246.60  254.267  415.011   95.619  278.990   37.441  172.648   22.731 106.3413 43.80142 
1 1 1   26   -7    5 o  167.830   19.444  382.974   79.980  714.040  231.456  338.082   85.230  194.589   47.944  155.414   22.625 39.17528 53.01399 
1 1 1   26   -7    6 o   61.677   22.991   45.408   47.463   0.0000   0.0000   45.408   47.463  ?   ?    61.677   22.991 0.000000 22.99129 
1 1 1   26   -6    0 o   48.640   19.973   13.955   38.881 -89.3695  187.391   18.604   39.746   78.914   37.112   50.552   20.403 28.36137 42.35052 
1 1 1   26   -6    1 o  120.307   20.865  198.281   60.411  229.330  204.272  195.305   63.240  117.511   46.649  118.748   22.141 -1.237213 51.63664 
1 1 1   26   -6    2 o   93.069   22.516  121.809   51.762  121.656  194.312  121.821   53.702  101.363   43.312   92.820   23.225 8.542572 49.14641 
1 1 1   26   -6    3 o   83.894   22.568   99.196   48.311  368.965  201.961   82.822   49.756  140.058   47.962   77.016   23.622 63.04194 53.46318 
1 1 1   26   -6    4 o   75.519   22.796   79.640   46.592   82.309  200.842   79.488   47.899   96.250   42.528   75.481   23.181 20.76938 48.43532 
1 1 1   26   -6    5 o  115.332   21.479  185.112   59.584  439.694  220.709  165.099   61.882  148.015   50.141  107.647   23.665 40.36793 55.44509 
1 1 1   26   -6    6 f  146.208   20.156  292.528   71.635  511.243  222.071  267.126   75.681  159.534   50.066  138.023   22.750 21.51108 54.99271 
1 1 1   26   -6    7 o  106.678   23.017  162.485   59.516  273.858  213.644  153.115   61.969  118.671   47.511  102.689   24.507 15.98202 53.45879 
1 1 1   26   -6    8 o  127.079   21.452  226.262   65.653  458.920  225.626  204.741   68.622  145.358   50.644  119.252   23.876 26.10590 55.99038 
1 1 1   26   -6    9 o   74.542   24.060   79.318   50.993  173.190  224.079   74.192   52.367  103.096   45.260   72.646   24.425 30.45025 51.42975 
1 1 1   26   -5    0 o  167.874   20.547  379.368   84.338   0.0000   0.0000  379.368   84.338  ?   ?   167.874   20.547 0.000000 20.54703 
1 1 1   26   -5    1 o  117.082   45.625  220.595  192.254  220.595  192.254   0.0000   0.0000  117.082   45.625  ?   ?  0.000000 45.62459 
1 1 1   26   -5    2 f  139.832   18.902  262.151   64.312  523.933  203.049  232.961   67.803  173.435   46.094  130.373   21.581 43.06197 50.89592 
1 1 1   26   -5    3 o  108.918   20.955  163.318   54.926  376.214  198.870  145.737   57.149  143.482   47.586  101.861   23.010 41.62162 52.85709 
1 1 1   26   -5    4 o  106.463   21.305  156.964   54.665  286.672  196.866  146.128   56.902  126.375   46.880  101.923   22.914 24.45219 52.18042 
1 1 1   26   -5    5 o   92.850   22.363  121.412   51.234  286.723  199.280  109.712   53.016  125.452   47.042   87.854   23.644 37.59809 52.64995 
1 1 1   26   -5    6 o   60.533   22.604   41.948   45.919 -50.7862  199.482   47.137   47.186   83.008   38.797   62.718   23.007 20.29029 45.10580 
1 1 1   26   -5    7 o   36.213   16.796 -27.0422   36.272   91.815  200.232 -31.0750   36.882   96.390   42.533   35.783   16.710 60.60741 45.69755 
1 1 1   26   -5    8 o  104.510   22.779  155.325   57.771  167.787  208.275  154.287   60.130  105.064   44.866  103.651   23.741 1.412498 50.76053 
1 1 1   26   -5    9 o  160.370   19.707  351.594   77.262  584.934  231.016  322.207   81.983  168.309   50.749  151.659   22.314 16.64970 55.43850 
1 1 1   26   -5   10 o  182.541   19.613  456.006   88.001  677.607  239.691  421.482   94.608  180.413   50.958  173.208   22.398 7.204834 55.66347 
1 1 1   26   -5   11 o   80.103   24.276   93.861   52.763  190.038  220.747   88.033   54.338  104.036   45.315   77.793   24.808 26.24294 51.66175 
1 1 1   26   -5   12 o  121.823   22.912  214.596   67.144  180.312  233.362  217.690   70.109  101.509   45.289  122.032   23.862 -20.52274 51.19027 
1 1 1   26   -4    0 o  133.324   19.187  237.900   62.040  415.245  194.629  217.842   65.454  155.200   46.533  126.431   21.501 28.76936 51.26061 
1 1 1   26   -4    1 o  119.915   20.444  195.133   59.025   86.174  182.635  207.841   62.372   97.486   41.832  123.602   20.956 -26.11644 46.78741 
1 1 1   26   -4    2 o  173.578   18.157  398.974   77.539  700.277  205.941  349.206   83.698  209.814   40.775  160.526   21.414 49.28812 46.05587 
1 1 1   26   -4    3 o  142.786   18.815  272.647   65.454  508.010  203.705  245.550   69.120  170.736   46.514  134.155   21.347 36.58076 51.17887 
1 1 1   26   -4    4 o  215.336   18.377  614.643   97.875  840.623  224.553  561.643  108.748  229.100   40.743  203.470   21.739 25.62979 46.18023 
1 1 1   26   -4    5 o  192.547   17.896  491.394   85.064  974.974  221.950  408.133   92.096  251.836   36.345  172.955   21.808 78.88112 42.38578 
1 1 1   26   -4    6 o   72.532   22.541   72.299   45.138 -17.6884  186.990   77.866   46.513   84.634   38.849   74.947   22.811 9.686684 45.05123 
1 1 1   26   -4    7 o   52.695   20.883   24.130   40.870   24.739  188.843   24.100   41.862   88.721   40.065   53.072   21.102 35.64967 45.28234 
1 1 1   26   -4    8 o  178.858   19.155  430.918   84.225  576.284  226.325  407.550   90.742  173.046   49.733  172.261   21.567 0.7855072 54.20813 
1 1 1   26   -4    9 o   94.471   23.388  127.845   54.880  350.977  209.626  111.426   56.864  132.826   48.527   87.747   24.833 45.07881 54.51200 
1 1 1   26   -4   10 o   76.940   23.578   84.152   49.585  211.143  214.183   76.961   50.969  110.095   46.183   74.105   24.067 35.98984 52.07787 
1 1 1   26   -4   11 o  154.425   20.248  328.618   76.201  347.271  224.258  326.183   81.021  127.173   49.354  152.697   21.873 -25.52403 53.98373 
1 1 1   26   -4   12 o  155.622   20.216  335.217   76.705  408.247  230.435  326.116   81.344  133.529   50.476  152.108   22.059 -18.57872 55.08561 
1 1 1   26   -4   13 o  121.696   22.085  211.722   64.645  486.009  235.617  189.393   67.225  142.206   51.525  113.347   24.467 28.85853 57.03897 
1 1 1   26   -4   14 o  153.953   21.333  335.990   79.810  314.635  247.365  338.472   84.319  113.935   48.781  153.369   22.702 -39.43393 53.80510 
1 1 1   26   -3    0 o   87.578   33.827   91.651  104.962  103.340  170.000   84.450  133.432   99.159   41.335   90.766   37.104 8.393196 55.54565 
1 1 1   26   -3    1 o  220.735   18.022  640.229   98.473  818.189  211.221  590.807  111.310  232.141   37.732  209.779   21.555 22.36166 43.45473 
1 1 1   26   -3    2 o  255.214   18.407  857.417  116.521  1102.20  233.608  776.349  134.439  272.370   35.168  239.589   22.743 32.78018 41.88064 
1 1 1   26   -3    3 o  300.705   19.388  1197.11  144.811  1459.26  267.055  1087.93  172.350  313.690   34.671  281.652   24.756 32.03802 42.60233 
1 1 1   26   -3    4 o  192.831   18.236  491.869   86.771  663.659  208.055  455.697   95.471  202.006   42.586  183.778   21.191 18.22855 47.56720 
1 1 1   26   -3    5 o  128.714   19.826  223.921   61.680  309.049  194.214  214.372   65.048  132.350   46.916  125.025   21.617 7.324753 51.65688 
1 1 1   26   -3    6 o  145.711   19.752  286.208   70.017  169.428  197.217  303.051   74.896  108.836   44.871  149.533   20.605 -40.69639 49.37567 
1 1 1   26   -3    7 o   60.975   21.766   45.333   41.869  225.023  192.454   36.405   42.897  116.407   45.569   57.861   21.800 58.54545 50.51490 
1 1 1   26   -3    8 o  146.588   19.320  289.914   69.000  467.046  205.702  267.457   73.244  158.718   47.895  139.371   21.756 19.34644 52.60476 
1 1 1   26   -3    9 o   69.664   23.018   65.543   46.548  248.210  212.196   56.308   47.710  118.161   47.334   66.222   23.276 51.93919 52.74772 
1 1 1   26   -3   10 o  195.235   18.750  512.098   90.290  840.787  233.967  454.582   97.872  220.247   44.078  181.466   22.051 38.78098 49.28636 
1 1 1   26   -3   11 o  196.270   19.404  521.893   93.856  590.194  232.465  508.591  102.589  170.736   50.780  191.814   21.805 -21.07809 55.26321 
1 1 1   26   -3   12 o   72.300   23.330   73.216   47.949   54.593  209.246   74.248   49.259   91.466   41.647   72.783   23.661 18.68328 47.89934 
1 1 1   26   -3   13 o   77.870   23.655   87.548   50.056  244.177  217.941   78.825   51.431  111.691   46.701   74.401   24.177 37.28938 52.58802 
1 1 1   26   -3   14 o  164.648   20.043  375.755   80.707  489.747  235.062  360.521   85.930  143.706   51.543  159.550   22.166 -15.84349 56.10721 
1 1 1   26   -3   15 o  142.777   21.850  290.672   75.426  350.811  251.014  284.703   79.081  118.438   49.856  140.017   23.446 -21.57851 55.09386 
1 1 1   26   -2    0 o  213.464   12.166  581.915   64.583  611.020   98.608  560.052   85.463  215.681   18.487  207.408   16.641 8.273514 24.87349 
1 1 1   26   -2    1 o  245.959   12.279  770.837   75.419  761.501  113.311  778.262  101.056  240.471   19.025  244.594   16.644 -4.123199 25.27764 
1 1 1   26   -2    2 o  102.058   15.646  137.232   38.602  144.824   65.241  133.141   47.883  101.249   25.746   98.964   20.062 2.284805 32.63941 
1 1 1   26   -2    3 o  167.644   13.010  361.407   54.040  320.340   84.373  389.973   70.368  153.322   22.725  172.690   16.519 -19.36754 28.09443 
1 1 1   26   -2    4 o   36.981   16.151  -4.0601   28.208   31.896   53.866 -17.6464   33.111   60.353   23.956   36.537   16.610 23.81576 29.15080 
1 1 1   26   -2    5 o  107.731   15.527  152.928   40.566  114.359   66.133  176.194   51.365   89.751   27.174  114.580   18.589 -24.82945 32.92318 
1 1 1   26   -2    6 o  111.147   15.308  162.550   41.360  203.300   69.625  140.328   51.415  120.594   23.965  100.936   21.079 19.65797 31.91563 
1 1 1   26   -2    7 o  228.020   12.741  668.216   72.260  618.722  111.102  704.503   95.130  214.221   21.040  231.927   16.534 -17.70511 26.75908 
1 1 1   26   -2    8 f  141.998   16.626  266.489   57.839  353.220  200.165  258.588   60.417  138.888   47.740  139.316   17.771 -0.4281616 50.94043 
1 1 1   26   -2    9 o  122.069   20.676  204.172   60.777  146.760  192.291  210.544   64.061  104.341   43.764  123.549   21.547 -19.20801 48.78065 
1 1 1   26   -2   10 o  119.823   20.951  197.878   60.408  178.149  199.936  199.860   63.369  108.320   44.963  119.897   21.975 -11.57793 50.04540 
1 1 1   26   -2   11 o  178.791   18.624  429.235   81.929  801.424  226.714  373.328   87.868  216.092   43.519  164.455   21.943 51.63684 48.73800 
1 1 1   26   -2   12 o   88.216   23.007  111.376   51.209  210.090  209.223  105.086   52.816  110.719   45.980   85.472   23.843 25.24725 51.79441 
1 1 1   26   -2   13 o  121.754   21.541  207.727   63.098  146.314  212.624  213.658   66.074  101.589   44.355  123.037   22.328 -21.44837 49.65810 
1 1 1   26   -2   14 o  119.971   21.795  203.416   62.890  132.173  221.005  209.694   65.602   99.118   44.159  121.429   22.462 -22.31053 49.54307 
1 1 1   26   -2   15 o  184.611   19.305  467.821   87.683  849.453  244.959  411.738   93.905  206.834   48.302  170.315   22.640 36.51939 53.34446 
1 1 1   26   -2   16 o  140.648   20.895  279.048   71.159  592.788  244.845  250.103   74.369  155.415   52.811  131.039   23.595 24.37543 57.84186 
1 1 1   26   -1    0 o   77.540   17.479   80.850   33.035   96.748   55.912   72.323   40.947   83.834   24.897   73.124   21.194 10.71060 32.69611 
1 1 1   26   -1    1 o  245.478   12.435  769.315   75.981  656.602  113.377  861.207  102.371  222.463   20.644  257.954   15.971 -35.49162 26.10060 
1 1 1   26   -1    2 o  198.969   12.261  505.942   60.622  459.241   92.519  541.077   80.249  185.872   20.261  204.237   15.859 -18.36502 25.72956 
1 1 1   26   -1    3 o  209.626   12.371  561.931   64.472  500.952   97.611  609.120   85.868  193.958   20.462  216.603   15.988 -22.64555 25.96748 
1 1 1   26   -1    4 o  118.115   14.076  181.328   40.701  203.923   67.084  168.165   51.202  121.782   22.900  111.931   18.997 9.850899 29.75380 
1 1 1   26   -1    5 o   64.545   18.800   55.950   32.148   31.435   57.423   67.142   38.798   61.463   24.623   70.376   20.698 -8.913570 32.16629 
1 1 1   26   -1    6 o  148.920   13.282  286.272   48.874  232.936   77.155  322.014   63.162  129.071   24.839  156.727   16.380 -27.65634 29.75423 
1 1 1   26   -1    7 o  143.955   13.856  268.660   49.196  146.680   77.722  350.204   63.547  100.328   29.234  163.695   15.740 -63.36603 33.20201 
1 1 1   26   -1    8 o  104.790   16.023  145.574   40.596   83.396   67.171  181.353   50.955   79.068   27.628  116.330   18.132 -37.26157 33.04648 
1 1 1   26   -1    9 o   51.562   18.869   29.774   31.714   30.113   59.493   29.640   37.484   61.382   24.896   53.575   20.333 7.806194 32.14355 
1 1 1   26   -1   10 o   80.447   18.111   88.400   35.505   77.157   60.514   94.302   43.846   75.866   26.239   82.244   21.211 -6.378624 33.74026 
1 1 1   26   -1   11 o   57.128   19.167   41.814   32.247   25.084   59.268   48.849   38.433   59.716   24.606   61.562   20.923 -1.846138 32.29950 
1 1 1   26   -1   12 o  106.640   32.812  176.527   95.916  157.634  206.771  181.706  108.269  105.215   44.812  107.165   35.090 -1.949738 56.91594 
1 1 1   26   -1   13 o   60.865   21.957   45.587   42.722  117.432  206.264   42.367   43.669   99.279   43.508   59.875   22.106 39.40345 48.80152 
1 1 1   26   -1   14 o   61.522   22.361   46.742   44.426   2.0705  209.940   48.836   45.455   87.175   40.424   62.532   22.635 24.64317 46.32985 
1 1 1   26   -1   15 f  102.100   22.605  149.598   56.113  119.828  215.414  151.766   58.119   97.664   43.547  102.497   23.242 -4.832253 49.36168 
1 1 1   26   -1   16 o  121.035   22.002  208.583   64.050  151.348  225.985  213.583   66.789   99.856   44.558  122.001   22.760 -22.14474 50.03434 
1 1 1   26   -1   17 o   88.736   23.555  116.524   53.068  477.644  236.755   97.421   54.453  138.792   51.426   80.940   24.691 57.85283 57.04636 
1 1 1   26    0    0 o  105.723   14.611  145.655   37.543  152.913   59.879  140.953   48.192  105.387   23.366  102.383   19.563 3.004173 30.47376 
1 1 1   26    0    1 o  108.825   14.776  154.393   39.116  168.015   63.034  145.863   49.882  110.440   23.574  104.028   19.928 6.412216 30.86784 
1 1 1   26    0    2 o  265.515   12.563  897.854   83.297  879.968  123.906  912.604  112.517  258.807   19.311  264.997   17.094 -6.189545 25.78995 
1 1 1   26    0    3 o  127.684   13.917  210.947   43.657  181.547   69.207  230.378   56.264  114.145   24.974  132.232   17.466 -18.08741 30.47559 
1 1 1   26    0    4 o  182.949   12.438  428.398   56.488  356.835   86.322  481.993   74.704  162.806   21.778  192.766   15.654 -29.96063 26.82063 
1 1 1   26    0    5 o  103.079   15.454  139.734   38.553  130.450   63.909  145.046   48.340   96.111   25.999  103.672   19.385 -7.560852 32.43025 
1 1 1   26    0    6 o  129.447   13.899  217.234   44.227  189.120   71.256  234.851   56.406  115.998   25.311  133.340   17.351 -17.34150 30.68690 
1 1 1   26    0    7 o  100.478   16.108  133.750   39.051   87.964   64.196  160.645   49.201   80.602   27.043  109.334   18.692 -28.73186 32.87444 
1 1 1   26    0    8 o  217.789   12.810  609.065   69.363  616.462  105.312  603.398   92.182  215.059   19.833  214.320   17.373 0.7384186 26.36639 
1 1 1   26    0    9 o   70.567   18.687   67.948   33.451   85.322   57.743   59.172   41.039   78.821   25.617   66.761   21.588 12.06003 33.50069 
1 1 1   26    0   10 o  166.888   12.670  358.826   52.409  364.914   82.631  354.729   67.789  164.307   20.591  164.053   16.784 0.2532196 26.56470 
1 1 1   26    0   11 o  124.847   13.861  203.219   42.485  218.195   69.992  194.483   53.460  124.982   23.282  120.231   18.391 4.751793 29.66962 
1 1 1   26    0   12 o  148.366   13.350  285.671   48.932  300.577   79.382  276.537   62.142  147.557   22.233  143.965   17.655 3.591843 28.39072 
1 1 1   26    0   13 o   92.967   17.209  116.968   38.479  173.316   67.271   89.566   46.911  109.675   25.104   79.676   22.558 29.99950 33.75009 
1 1 1   26    0   14 o  210.829   12.681  574.617   66.455  547.306  105.051  592.838   85.805  199.620   21.408  211.801   16.350 -12.18044 26.93733 
1 1 1   26    0   15 o  143.831   16.763  276.612   59.079  171.603  216.807  285.035   61.402  105.010   45.324  145.782   17.198 -40.77155 48.47669 
1 1 1   26    0   16 o  206.187   19.144  578.370   97.444  869.816  250.296  526.306  105.790  212.463   48.273  193.906   22.250 18.55627 53.15432 
1 1 1   26    0   17 o   62.846   22.619   50.996   45.303 -123.9031  221.825   58.608   46.278   77.695   37.563   65.917   22.938 11.77733 44.01274 
1 1 1   26    0   18 o  100.428   23.780  149.068   58.714 -151.6130  230.499  169.932   60.717   76.201   37.170  107.768   23.245 -31.56723 43.84010 
1 1 1   26    1    0 o  280.447   13.366  1002.65   93.607  852.263  135.241  1140.95  129.695  253.663   21.554  296.476   17.597 -42.81279 27.82504 
1 1 1   26    1    1 o   63.583   18.247   53.813   30.486   27.983   51.637   67.633   37.771   58.864   23.427   70.917   20.298 -12.05365 30.99719 
1 1 1   26    1    2 o  249.430   12.264  791.050   76.391  750.045  113.541  824.963  103.257  239.132   19.175  252.422   16.471 -13.28934 25.27810 
1 1 1   26    1    3 o  132.938   13.388  227.700   43.840  218.575   68.815  233.933   56.875  126.780   22.563  133.350   17.502 -6.569916 28.55573 
1 1 1   26    1    4 o  204.457   12.398  534.061   63.002  483.319   95.600  573.017   83.766  190.823   20.377  210.215   16.079 -19.39227 25.95689 
1 1 1   26    1    5 o  237.876   12.431  722.791   73.589  783.030  111.545  676.369   97.921  244.406   18.412  227.672   17.354 16.73381 25.30104 
1 1 1   26    1    6 o  168.425   12.738  363.957   53.177  373.242   82.811  357.442   69.369  167.271   20.237  165.168   17.065 2.102524 26.47124 
1 1 1   26    1    7 o  102.201   15.653  137.684   38.676  126.494   64.702  143.905   48.243   94.503   26.400  103.175   19.438 -8.672173 32.78378 
1 1 1   26    1    8 o  181.240   12.615  421.595   56.739  421.439   86.924  421.711   74.896  177.696   19.933  179.351   16.923 -1.655502 26.14726 
1 1 1   26    1    9 o  134.663   13.978  235.416   46.321  215.536   73.542  248.488   59.637  124.077   24.604  136.793   17.887 -12.71561 30.41863 
1 1 1   26    1   10 o  122.220   13.855  194.376   41.538  242.699   68.756  166.603   52.125  133.384   21.363  110.854   19.544 22.53046 28.95451 
1 1 1   26    1   11 o   50.609   18.592   28.302   30.832   7.3529   54.766   38.023   37.306   53.848   23.001   56.890   20.519 -3.042408 30.82356 
1 1 1   26    1   12 o   84.334   17.387   96.384   35.400  120.904   61.051   83.963   43.451   91.797   25.644   77.679   21.611 14.11737 33.53598 
1 1 1   26    1   13 o  189.456   12.627  462.786   59.396  457.466   94.535  466.255   76.347  183.398   21.021  188.153   16.414 -4.754807 26.67021 
1 1 1   26    1   14 o   58.621   19.324   44.857   32.813   66.514   59.476   35.381   39.342   71.785   25.906   56.164   20.933 15.62135 33.30611 
1 1 1   26    1   15 o   58.817   19.417   45.392   33.125   31.347   60.578   51.383   39.564   61.425   25.043   62.611   21.229 -1.186298 32.83005 
1 1 1   26    1   16 o  198.315   12.693  509.662   62.528  500.688  100.960  515.247   79.641  190.175   21.645  197.087   16.329 -6.911835 27.11331 
1 1 1   26    1   17 o  121.049   14.660  194.192   43.412  121.264   72.526  234.909   54.192   89.512   28.673  132.154   16.801 -42.64261 33.23251 
1 1 1   26    1   18 o  163.759   16.275  359.167   65.673  552.216  248.314  344.648   68.098  151.530   53.111  159.659   17.360 -8.129486 55.87595 
1 1 1   26    1   19 o   84.605   23.539  105.914   51.550  117.908  248.111  105.373   52.700   95.845   44.268   84.238   23.930 11.60722 50.32211 
1 1 1   26    2    0 o  279.310   12.964  992.756   90.421  915.026  131.432  1062.61  124.592  264.046   20.083  286.281   17.512 -22.23566 26.64620 
1 1 1   26    2    1 o  127.427   13.489  209.156   42.271  153.180   65.659  248.777   55.241  104.996   25.333  138.174   16.325 -33.17749 30.13782 
1 1 1   26    2    2 o   79.205   16.948   83.839   32.509  105.400   54.460   71.903   40.521   87.471   24.142   73.056   21.057 14.41584 32.03512 
1 1 1   26    2    3 o  161.399   12.701  333.486   50.777  311.070   77.455  350.379   67.241  152.714   20.856  164.048   16.645 -11.33344 26.68336 
1 1 1   26    2    4 o  151.096   12.892  292.875   48.176  292.034   74.570  293.478   63.117  147.843   20.771  149.733   17.192 -1.890137 26.96299 
1 1 1   26    2    5 o  299.579   13.261  1145.65   99.208  1116.54  146.145  1170.53  135.108  290.957   20.240  299.490   18.151 -8.532471 27.18694 
1 1 1   26    2    6 o  118.790   14.070  183.073   40.925  189.134   65.847  179.258   52.241  117.244   23.311  115.931   18.680 1.312439 29.87214 
1 1 1   26    2    7 o  174.198   13.253  390.000   57.219  352.523   87.102  418.451   75.892  161.518   22.181  178.776   17.212 -17.25769 28.07561 
1 1 1   26    2    8 o  131.305   13.747  223.201   44.408  203.846   69.352  236.652   57.815  121.346   23.737  133.724   17.752 -12.37741 29.64090 
1 1 1   26    2    9 o  225.934   12.656  654.196   71.116  660.226  107.468  649.500   94.855  223.124   19.483  222.730   17.187 0.3933563 25.98054 
1 1 1   26    2   10 f  102.828   15.576  139.591   38.743  131.654   64.673  144.034   48.387   96.074   26.223  103.010   19.525 -6.936066 32.69378 
1 1 1   26    2   11 o   49.997   18.483   27.049   30.549   22.588   53.132   29.252   37.338   57.251   23.410   53.462   20.292 3.788136 30.98055 
1 1 1   26    2   12 o   91.548   16.504  112.209   36.343  104.425   61.693  116.347   44.975   85.839   26.299   91.946   20.145 -6.107430 33.12789 
1 1 1   26    2   13 o   54.266   18.801   36.206   31.074   27.309   56.131   40.137   37.314   59.409   24.150   57.700   20.553 1.708740 31.71211 
1 1 1   26    2   14 f  108.259   15.279  155.021   40.157  139.298   67.010  163.831   50.162   97.790   26.693  109.780   18.985 -11.98981 32.75600 
1 1 1   26    2   15 o   83.500   18.091   95.519   36.631   91.781   64.866   97.270   44.387   80.798   27.184   83.236   21.274 -2.437836 34.51864 
1 1 1   26    2   16 o  165.120   12.847  353.552   52.555  342.788   86.037  359.959   66.377  156.743   22.637  164.765   16.348 -8.021271 27.92302 
1 1 1   26    2   17 o   60.311   19.393   48.789   33.152   31.258   60.601   56.276   39.603   61.142   25.001   64.550   21.227 -3.408020 32.79684 
1 1 1   26    2   18 o   63.871   19.656   56.201   34.420   35.950   64.070   64.417   40.809   63.049   25.735   68.025   21.478 -4.975948 33.52052 
1 1 1   26    2   19 o   54.618   19.878   36.174   35.127   83.564   64.077   15.813   42.001   76.460   26.965   49.775   20.630 26.68417 33.95201 
1 1 1   26    3    0 o  136.682   13.426  240.081   45.232  225.942   69.220  250.617   59.755  129.472   22.209  138.273   17.713 -8.801361 28.40756 
1 1 1   26    3    1 o  158.910   12.695  322.951   49.958  294.699   75.469  344.987   66.652  148.788   20.887  162.943   16.613 -14.15495 26.68836 
1 1 1   26    3    2 o   57.683   18.276   42.751   29.527   72.910   51.421   27.916   36.065   74.505   24.173   52.909   19.976 21.59580 31.35874 
1 1 1   26    3    3 o  216.277   15.695  603.694   84.191  555.905   98.857  729.866  160.629  205.700   19.477  229.789   28.612 -24.08969 34.61262 
1 1 1   26    3    4 o  108.109   21.503  158.628   56.007  142.185   61.988  231.708  130.683  101.191   24.738  123.948   38.327 -22.75703 45.61727 
1 1 1   26    3    5 o  171.342   17.803  384.408   75.061  294.137   89.312  601.536  138.513  146.163   25.390  208.936   27.192 -62.77287 37.20318 
1 1 1   26    3    6 o  102.156   23.548  144.352   58.839  153.900   67.877  115.490  118.013  104.665   26.068   95.388   36.107 9.277969 44.53368 
1 1 1   26    3    7 o  138.194   19.434  254.327   65.211  251.019   75.821  263.729  127.821  135.546   23.236  131.357   37.251 4.189957 43.90442 
1 1 1   26    3    8 o  352.393   18.743  1628.50  164.342  1306.56  214.963  2081.34  254.947  306.186   28.439  389.633   26.358 -83.44724 38.77511 
1 1 1   26    3    9 o  151.657   19.030  305.754   70.483  266.554   83.502  402.897  131.450  138.465   25.073  165.462   32.971 -26.99712 41.42138 
1 1 1   26    3   10 o  145.734   19.258  283.551   68.368  257.951   80.830  347.907  128.158  136.177   24.678  151.890   34.566 -15.71323 42.47107 
1 1 1   26    3   11 o  164.587   17.642  357.679   71.381  318.700   83.374  464.679  138.137  152.708   22.541  177.651   32.329 -24.94278 39.41169 
1 1 1   26    3   12 o   89.672   16.851  107.893   36.348   80.370   59.471  124.305   45.925   77.222   26.028   95.275   19.942 -18.05341 32.78989 
1 1 1   26    3   13 o  125.880   13.799  206.224   42.666  237.904   70.128  187.606   53.761  131.454   22.151  117.954   18.889 13.50025 29.11100 
1 1 1   26    3   14 o   91.066   16.641  111.376   36.448  129.121   61.859  101.939   45.110   94.799   25.551   85.521   21.223 9.277313 33.21585 
1 1 1   26    3   15 o   82.023   17.836   91.831   35.492   78.313   61.748   98.501   43.373   76.220   26.497   84.049   20.782 -7.828445 33.67507 
1 1 1   26    3   16 o  146.125   13.654  278.179   49.246  264.552   80.713  286.260   62.156  136.478   24.587  146.448   17.332 -9.970245 30.08216 
1 1 1   26    3   17 o   56.189   18.920   40.652   31.422   39.882   59.325   40.952   37.045   63.327   25.140   57.612   20.483 5.714756 32.42764 
1 1 1   26    3   18 o   51.818   20.091   26.714   37.134   0.0000   0.0000   26.714   37.134  ?   ?    51.818   20.091 0.000000 20.09078 
1 1 1   26    3   19 o   50.437   22.576 -11.1407   58.496 -11.1407   58.496   0.0000   0.0000   50.437   22.576  ?   ?  0.000000 22.57597 
1 1 1   26    3   20 o   52.776   19.025   33.950   32.066   59.412   63.179   25.115   37.215   68.800   26.329   50.916   20.007 17.88362 33.06739 
1 1 1   26    4    0 o  135.405   13.452  235.620   44.883  180.770   67.692  278.655   59.959  114.745   24.376  146.303   16.711 -31.55834 29.55438 
1 1 1   26    4    1 o  260.569   22.524  900.775  145.122  1013.10  220.335  814.715  192.864  267.171   33.780  239.912   33.071 27.25888 47.27327 
1 1 1   26    4    2 o  213.865   17.419  593.980   92.220  510.963  111.063  778.301  165.491  195.357   23.221  237.908   28.418 -42.55017 36.69889 
1 1 1   26    4    3 o  229.449   17.880  684.948  101.637  680.628  126.235  692.909  171.372  226.011   22.672  221.602   31.886 4.409256 39.12511 
1 1 1   26    4    4 o   74.719   24.219   73.508   51.630   82.742   57.082   31.987  121.048   78.843   25.457   80.590   34.304 -1.747314 42.71806 
1 1 1   26    4    5 f  136.943   20.271  250.079   67.226  229.884   76.734  316.759  139.435  129.304   24.664  144.519   38.096 -15.21501 45.38326 
1 1 1   26    4    6 o   89.003   23.374  109.335   52.619  106.985   58.969  118.518  116.568   87.901   25.421   96.099   35.990 -8.197678 44.06268 
1 1 1   26    4    7 o  112.962   21.017  172.801   57.104  154.034   65.180  234.770  118.440  104.994   25.184  124.939   35.997 -19.94531 43.93213 
1 1 1   26    4    8 f  323.950   18.288  1371.83  147.338  1148.92  192.944  1683.65  228.200  288.805   27.069  350.913   26.231 -62.10794 37.69354 
1 1 1   26    4    9 o   82.438   24.352   93.893   53.604   84.938   60.203  128.158  117.766   79.457   26.174   97.550   36.245 -18.09376 44.70728 
1 1 1   26    4   10 o   77.183   24.103   81.162   51.539   86.121   58.002   62.553  112.354   79.549   25.658   82.818   33.973 -3.268593 42.57403 
1 1 1   26    4   11 f  130.554   20.514  230.368   64.675  201.499   74.845  315.472  128.505  119.396   25.852  143.338   35.961 -23.94183 44.28920 
1 1 1   26    4   12 o   72.159   24.948   67.567   54.701   44.567   62.029  148.028  116.019   66.413   25.906  100.948   36.211 -34.53463 44.52316 
1 1 1   26    4   13 o  105.254   23.112  154.909   59.085  173.032   69.541  107.865  112.041  110.143   25.745   91.118   35.016 19.02493 43.46157 
1 1 1   26    4   14 o   87.330   24.442  108.034   55.407  118.644   64.980   79.772  106.054   90.895   26.801   83.949   33.522 6.945992 42.91877 
1 1 1   26    4   15 o  137.195   35.077  294.497  120.642   0.0000   0.0000  294.497  120.642  ?   ?   137.195   35.077 0.000000 35.07740 
1 1 1   26    4   16 o  126.625   20.538  219.703   62.718  194.418   74.761  279.776  115.234  115.755   26.443  133.605   34.349 -17.85031 43.34784 
1 1 1   26    4   17 o  114.333   14.952  172.704   41.666  232.518   71.422  141.845   51.300  128.606   23.088  100.819   21.056 27.78736 31.24700 
1 1 1   26    4   18 o   76.417   18.951   81.122   35.986   48.125   64.349   96.136   43.408   66.857   26.296   82.566   21.003 -15.70927 33.65413 
1 1 1   26    4   19 o   86.517   17.667  102.855   36.878  129.992   68.068   91.580   43.875   93.055   27.428   80.233   21.474 12.82265 34.83466 
1 1 1   26    4   20 o   34.254   15.508 -12.7921   28.500   31.081   56.463 -27.7911   33.014   59.435   24.198   33.776   15.785 25.65953 28.89173 
1 1 1   26    4   21 f   59.453   19.385   47.935   33.056   33.327   62.648   53.571   38.914   61.471   25.310   62.736   21.055 -1.265522 32.92302 
1 1 1   26    5    0 o   59.170   22.265   36.004   44.715   32.960   47.915   56.538  124.449   59.239   22.862   85.949   35.558 -26.70982 42.27389 
1 1 1   26    5    1 o  233.122   17.686  705.393  102.192  676.702  125.828  760.987  175.154  225.614   22.639  233.683   30.763 -8.069534 38.19538 
1 1 1   26    5    2 o  184.069   17.848  441.573   81.010  409.691   96.204  519.283  150.195  175.104   22.523  191.194   32.629 -16.08929 39.64787 
1 1 1   26    5    3 o  191.195   17.993  476.693   84.897  426.464   99.890  607.359  161.111  178.411   22.953  207.235   32.176 -28.82423 39.52370 
1 1 1   26    5    4 o  149.413   13.350  286.536   49.285  251.979   80.303  307.418   62.424  135.731   24.598  153.727   16.520 -17.99571 29.63054 
1 1 1   26    5    5 o   77.536   16.409   80.153   30.781  133.053   51.068   49.969   38.575   98.926   21.302   62.898   20.962 36.02847 29.88640 
1 1 1   26    5    6 o  132.594   13.295  226.275   43.428  166.788   65.457  273.051   58.043  109.776   24.499  144.740   16.345 -34.96447 29.45132 
1 1 1   26    5    7 o  168.298   12.564  362.466   52.421  309.061   78.583  405.286   70.366  151.886   21.305  176.669   16.127 -24.78383 26.72041 
1 1 1   26    5    8 o  229.362   12.277  671.366   70.063  549.377  103.621  774.109   95.096  203.363   20.693  244.723   15.643 -41.35962 25.93996 
1 1 1   26    5    9 o   62.164   17.944   51.547   29.406   60.454   49.980   46.832   36.367   69.146   23.850   60.840   20.355 8.305721 31.35526 
1 1 1   26    5   10 f  140.403   13.391  254.340   46.382  255.435   71.854  253.557   60.729  137.294   21.677  138.440   17.992 -1.146835 28.17110 
1 1 1   26    5   11 o  122.757   14.120  195.845   42.496  134.082   67.135  237.137   54.893   97.044   26.813  134.228   16.740 -37.18359 31.60972 
1 1 1   26    5   12 o  203.457   12.436  530.617   62.880  510.194   95.491  546.251   83.550  195.660   19.817  204.460   16.505 -8.799652 25.79003 
1 1 1   26    5   13 o   78.401   17.985   83.528   34.462   45.529   60.004  102.232   42.098   66.102   25.564   86.293   19.937 -20.19083 32.41898 
1 1 1   26    5   14 o   67.675   18.550   62.327   32.283   47.407   56.366   69.609   39.381   65.582   24.923   71.319   20.818 -5.737099 32.47337 
1 1 1   26    5   15 o  191.695   12.589  472.862   59.931  480.625   93.963  467.538   77.812  188.969   20.226  188.512   16.702 0.4565887 26.23099 
1 1 1   26    5   16 o   67.903   19.037   63.102   33.583   37.948   62.251   73.427   39.884   64.158   25.660   72.882   20.857 -8.723907 33.06775 
1 1 1   26    5   17 o  233.187   29.755  796.221  169.315   0.0000   0.0000  796.221  169.315  ?   ?   233.187   29.755 0.000000 29.75465 
1 1 1   26    5   18 o   83.780   27.732  100.930   67.555  100.930   67.555   0.0000   0.0000   83.780   27.732  ?   ?  0.000000 27.73195 
1 1 1   26    5   19 o  119.734   22.340  202.144   64.340  194.335   79.399  217.077  109.804  113.742   28.115  115.348   35.035 -1.606201 44.92057 
1 1 1   26    5   20 o  107.531   22.402  164.967   58.203  168.589   70.617  157.296  102.780  106.168   26.671   98.996   34.199 7.171791 43.36918 
1 1 1   26    5   21 o   32.046   14.754 -17.8543   27.242 -18.6151   58.286 -17.6417   30.814   48.798   22.127   34.564   15.831 14.23448 27.20690 
1 1 1   26    6    0 o   55.472   22.100   23.611   46.001   26.188   49.320   6.3779  127.549   57.598   22.904   78.604   34.336 -21.00616 41.27423 
1 1 1   26    6    1 o  120.980   20.692  195.871   60.265  173.630   67.373  284.904  134.797  112.304   24.696  137.998   37.938 -25.69416 45.26822 
1 1 1   26    6    2 o  217.951   13.460  607.105   72.900  488.520  116.084  684.328   93.676  190.042   25.073  230.193   16.404 -40.15059 29.96213 
1 1 1   26    6    3 f  230.785   12.496  678.460   71.747  686.717  105.709  671.408   97.695  229.466   18.608  227.522   17.325 1.944107 25.42460 
1 1 1   26    6    4 o  179.445   12.516  411.064   55.733  375.721   81.869  441.590   76.085  168.764   19.803  184.487   16.696 -15.72295 25.90187 
1 1 1   26    6    5 o  260.500   12.331  862.214   80.218  862.902  116.980  861.604  110.214  257.360   18.322  257.786   17.220 -0.4265442 25.14379 
1 1 1   26    6    6 o   86.512   15.498   98.775   32.253   71.408   52.015  115.869   41.110   73.922   24.328   93.025   18.349 -19.10352 30.47150 
1 1 1   26    6    7 o   49.201   17.663   27.153   27.611   41.812   46.105   18.956   34.478   61.508   22.713   48.702   19.218 12.80606 29.75264 
1 1 1   26    6    8 o  173.588   12.184  385.044   52.480  387.735   78.993  382.917   70.216  171.582   18.741  171.448   16.608 0.1334076 25.04114 
1 1 1   26    6    9 o  112.021   13.585  162.610   37.225  198.188   59.830  140.138   47.549  121.311   20.479  101.994   19.377 19.31742 28.19353 
1 1 1   26    6   10 o  198.093   12.442  502.056   61.233  443.885   91.885  548.526   82.127  182.473   20.521  205.442   16.138 -22.96906 26.10648 
1 1 1   26    6   11 o   62.351   18.077   51.975   29.784   80.339   52.803   38.739   36.070   76.988   24.445   57.109   20.222 19.87898 31.72483 
1 1 1   26    6   12 o   74.752   17.795   75.725   32.739   55.494   54.690   87.024   40.871   68.108   24.801   79.609   20.451 -11.50072 32.14540 
1 1 1   26    6   13 f  101.604   15.077  135.894   37.093  101.000   60.319  157.113   47.038   84.902   26.003  108.301   18.026 -23.39956 31.64062 
1 1 1   26    6   14 o   60.754   18.743   48.975   31.274 -17.9066   55.374   80.300   37.897   48.661   21.860   76.472   19.718 -27.81084 29.43939 
1 1 1   26    6   15 o  103.033   15.234  140.152   38.013  135.433   63.220  142.824   47.574   97.263   25.658  102.466   19.301 -5.202286 32.10695 
1 1 1   26    6   16 o  164.913   12.627  350.653   51.604  324.152   81.506  368.384   66.669  153.858   21.826  167.417   16.147 -13.55948 27.14926 
1 1 1   26    6   17 o   87.710   17.665  104.526   37.353   66.841   65.488  122.698   45.476   73.147   27.058   94.310   19.933 -21.16313 33.60740 
1 1 1   26    6   18 o   90.752   17.578  111.945   38.398   19.680   65.358  160.577   47.450   60.296   25.414  108.904   18.082 -48.60851 31.19003 
1 1 1   26    6   19 o   76.279   18.472   80.445   34.811   1.3500   61.123  118.417   42.351   54.486   23.786   92.688   18.937 -38.20207 30.40362 
1 1 1   26    6   20 o   74.834   19.053   78.084   35.700  106.341   62.965   64.698   43.339   85.105   26.651   68.529   22.187 16.57571 34.67812 
1 1 1   26    6   21 o   70.599   24.574   68.245   53.118   39.448   63.967  132.209   95.335   63.891   25.849   92.242   32.852 -28.35078 41.80262 
1 1 1   26    6   22 o   60.495   23.502   40.757   50.895 -13.6302   61.211  162.579   91.609   50.843   22.899  100.006   32.245 -49.16218 39.54876 
1 1 1   26    7    0 o  198.672   17.404  512.758   85.476  469.147  101.469  619.333  158.621  187.791   22.058  210.203   31.162 -22.41147 38.17871 
1 1 1   26    7    1 o   87.773   23.524  105.592   52.607   79.055   57.825  233.050  126.729   77.739   25.654  125.276   37.546 -47.53758 45.47323 
1 1 1   26    7    2 o  188.370   12.161  452.057   56.901  418.122   83.877  480.987   77.447  178.535   19.110  192.859   16.232 -14.32391 25.07339 
1 1 1   26    7    3 o  342.081   13.421  1490.44  114.648  1538.94  165.231  1445.42  159.210  343.506   19.341  332.956   19.230 10.54953 27.27402 
1 1 1   26    7    4 o  286.304   13.051  1043.18   93.305  988.374  134.228  1094.42  129.791  274.780   19.692  290.299   17.993 -15.51874 26.67432 
1 1 1   26    7    5 o  158.028   12.393  319.157   48.515  276.532   72.615  353.524   65.202  144.026   20.792  165.142   16.012 -21.11584 26.24282 
1 1 1   26    7    6 o  129.576   12.950  215.764   41.341  191.213   62.900  234.434   54.852  118.798   22.013  133.888   16.774 -15.08996 27.67587 
1 1 1   26    7    7 o  223.417   12.642  637.178   70.240  566.952  102.590  699.148   96.371  207.276   20.071  232.194   16.733 -24.91788 26.13119 
1 1 1   26    7    8 o  114.085   13.092  167.993   36.622  151.879   57.806  178.797   47.332  105.202   22.672  116.591   16.737 -11.38980 28.18073 
1 1 1   26    7    9 o   83.532   16.031   92.747   32.224   97.667   52.285   89.734   40.920   84.138   23.812   81.126   20.260 3.011894 31.26457 
1 1 1   26    7   10 o   59.963   17.774   47.626   28.516   73.687   48.595   33.939   35.218   74.128   23.442   54.876   19.914 19.25195 30.75857 
1 1 1   26    7   11 o  146.261   12.538  274.763   45.352  254.698   69.982  289.291   59.549  137.384   21.071  148.720   16.302 -11.33572 26.64072 
1 1 1   26    7   12 o  186.926   12.176  447.306   56.524  425.744   85.869  463.793   75.086  178.941   19.534  188.650   16.093 -9.708817 25.30903 
1 1 1   26    7   13 o   67.531   18.160   61.785   31.290   27.296   53.130   80.101   38.717   58.730   23.629   76.446   20.038 -17.71629 30.98140 
1 1 1   26    7   14 o   64.688   18.353   56.515   31.018   61.406   53.430   54.028   38.095   69.723   24.620   64.135   20.806 5.588081 32.23347 
1 1 1   26    7   15 o  158.476   13.054  324.115   51.202  323.774   80.517  324.347   66.345  154.294   21.480  156.682   17.242 -2.387848 27.54387 
1 1 1   26    7   16 o  105.985   18.850  152.185   48.062   0.0000   0.0000  152.185   48.062  ?   ?   105.985   18.850 0.000000 18.85032 
1 1 1   26    7   17 o  137.108   22.979  261.208   75.894  261.208   75.894   0.0000   0.0000  137.108   22.979  ?   ?  0.000000 22.97943 
1 1 1   26    7   18 o   68.131   18.738   63.701   32.876   9.1959   59.494   87.661   39.445   55.874   23.923   79.468   19.916 -23.59366 31.12827 
1 1 1   26    7   19 o   94.831   16.831  121.387   38.397   44.946   65.493  161.424   47.398   66.530   26.413  109.146   18.019 -42.61649 31.97386 
1 1 1   26    7   20 o   55.038   19.202   37.816   32.439 -14.1993   60.176   59.123   38.514   50.881   22.828   65.805   20.875 -14.92395 30.93349 
1 1 1   26    7   21 o   43.405   17.619   12.976   29.824   43.420   58.797   2.4297   34.607   63.821   25.125   42.416   18.205 21.40593 31.02728 
1 1 1   26    7   22 o   46.978   18.138   21.850   30.166   21.454   58.945   21.990   35.113   57.697   24.217   49.073   19.385 8.623878 31.01966 
1 1 1   26    8    0 o  174.932   17.076  397.934   73.641  285.466   83.841  777.627  154.049  145.036   23.987  239.411   26.194 -94.37520 35.51815 
1 1 1   26    8    1 o  183.004   12.092  426.751   54.948  403.218   81.315  446.529   74.543  175.360   18.866  185.747   16.234 -10.38652 24.88873 
1 1 1   26    8    2 o  139.755   12.209  249.717   42.181  238.837   64.538  257.831   55.731  134.123   19.870  140.826   16.139 -6.702591 25.59868 
1 1 1   26    8    3 o  275.546   11.847  962.968   81.519  894.183  117.380  1027.05  113.298  262.305   18.029  282.277   16.140 -19.97205 24.19832 
1 1 1   26    8    4 o  271.880   12.449  939.203   84.520  843.307  121.368  1029.50  117.770  253.934   19.284  282.209   16.787 -28.27425 25.56696 
1 1 1   26    8    5 o  160.020   12.440  327.278   49.319  310.853   73.254  340.896   66.702  153.362   19.574  161.857   16.745 -8.495590 25.75917 
1 1 1   26    8    6 o  160.479   12.194  328.963   48.501  349.644   73.020  312.634   64.882  163.291   18.218  154.765   17.072 8.526855 24.96694 
1 1 1   26    8    7 o  130.191   12.881  217.832   41.330  191.441   63.119  237.639   54.683  118.766   22.095  134.830   16.591 -16.06435 27.63087 
1 1 1   26    8    8 o   99.572   14.427  129.386   34.828  133.941   55.574  126.440   44.694   98.593   22.994   96.947   19.141 1.646477 29.91835 
1 1 1   26    8    9 o  150.371   12.367  289.656   46.026  284.206   69.696  293.871   61.292  146.236   19.577  149.963   16.648 -3.727081 25.69805 
1 1 1   26    8   10 o   44.135   16.706   18.835   25.265   25.034   45.330   16.041   30.429   55.357   21.975   45.528   18.026 9.829834 28.42287 
1 1 1   26    8   11 o  167.604   12.399  359.935   51.525  284.004   77.442  420.245   69.019  144.731   22.130  179.924   15.513 -35.19321 27.02589 
1 1 1   26    8   12 o  144.954   12.673  270.209   45.412  218.906   69.594  308.250   59.928  126.231   22.922  153.689   15.842 -27.45831 27.86364 
1 1 1   26    8   13 o   65.858   17.850   58.594   30.091   52.800   52.910   61.363   36.583   66.762   24.382   67.491   20.160 -0.7284088 31.63711 
1 1 1   26    8   14 o   49.705   17.608   28.830   27.351   0.6266   49.069   41.542   32.943   49.846   21.538   57.438   19.372 -7.591179 28.96825 
1 1 1   26    8   15 o  105.962   14.823  147.523   38.148  105.455   62.011  173.136   48.387   86.389   26.348  113.882   17.581 -27.49290 31.67505 
1 1 1   26    8   16 o  100.048   15.660  132.688   37.843  121.332   64.034  138.783   46.911   91.980   26.459  100.966   19.310 -8.986397 32.75565 
1 1 1   26    8   17 o  103.726   15.761  142.745   39.539   97.532   65.765  168.339   49.481   83.328   27.352  111.727   18.374 -28.39909 32.95005 
1 1 1   26    8   18 o  103.994   15.228  143.180   38.373  107.322   64.012  163.295   47.943   86.459   26.839  109.998   18.082 -23.53947 32.36190 
1 1 1   26    8   19 o  125.553   13.955  206.251   43.013  208.729   72.035  204.877   53.622  120.870   24.700  123.365   17.931 -2.494675 30.52213 
1 1 1   26    8   20 o  117.985   14.273  183.158   41.198  145.315   69.080  204.047   51.324   99.000   27.135  123.304   17.131 -24.30428 32.09026 
1 1 1   26    8   21 o  127.291   14.954  214.389   46.630  146.827   77.621  252.538   58.327   98.061   29.383  136.958   17.451 -38.89666 34.17471 
1 1 1   26    8   22 o   96.312   17.023  126.401   39.445  103.865   69.226  137.235   47.999   83.781   28.083   98.939   20.113 -15.15846 34.54237 
1 1 1   26    8   23 o   49.211   18.395   27.003   30.424  -2.4806   61.137   36.709   35.076   52.998   23.438   54.825   19.878 -1.827091 30.73211 
1 1 1   26    9    0 o   87.288   23.175  104.581   51.361  101.695   55.307  122.668  138.459   86.048   24.539  100.245   38.815 -14.19736 45.92106 
1 1 1   26    9    1 o   81.431   15.778   87.832   30.926   68.683   50.119   99.607   39.300   72.686   23.878   86.043   18.815 -13.35666 30.40030 
1 1 1   26    9    2 o  225.360   11.903  646.080   66.749  600.396   96.787  687.512   92.175  214.564   18.237  230.755   16.097 -16.19131 24.32460 
1 1 1   26    9    3 f  171.308   11.845  373.982   50.361  367.212   74.103  379.792   68.652  167.566   17.991  171.137   16.259 -3.571014 24.24941 
1 1 1   26    9    4 o  158.665   11.873  321.125   46.701  247.505   68.471  385.160   63.859  136.117   20.805  172.829   14.943 -36.71260 25.61517 
1 1 1   26    9    5 o   89.283   14.597  104.440   31.420   86.589   50.200  115.937   40.286   79.837   23.561   93.197   17.962 -13.35931 29.62676 
1 1 1   26    9    6 f  151.064   12.174  291.712   45.536  241.626   67.931  332.582   61.363  134.322   20.934  160.245   15.529 -25.92357 26.06558 
1 1 1   26    9    7 o  127.112   12.712  207.606   39.811  168.559   60.733  237.025   52.716  111.042   22.669  134.864   15.963 -23.82146 27.72544 
1 1 1   26    9    8 o  229.952   12.487  674.869   71.438  550.241  103.486  788.325   98.739  203.742   20.624  246.853   16.106 -43.11110 26.16789 
1 1 1   26    9    9 o   58.887   17.201   45.886   26.879   44.255   45.831   46.741   33.185   62.241   22.698   60.236   19.406 2.005276 29.86265 
1 1 1   26    9   10 f  107.521   14.225  150.533   37.255  127.032   58.556  166.515   48.290   95.409   24.462  111.938   17.877 -16.52934 30.29790 
1 1 1   26    9   11 f   53.874   17.464   36.938   26.844   21.169   47.285   44.437   32.607   54.878   22.217   58.919   19.256 -4.040905 29.40005 
1 1 1   26    9   12 o   47.892   17.313   25.559   26.581 -17.2421   46.804   45.936   32.294   44.712   20.091   59.545   19.139 -14.83351 27.74816 
1 1 1   26    9   13 o   69.859   17.492   66.039   30.446   41.391   50.594   80.031   38.120   62.317   23.629   76.489   19.802 -14.17225 30.82943 
1 1 1   26    9   14 o  201.962   12.634  523.431   63.399  390.126   94.666  631.846   85.372  168.954   23.038  220.444   15.609 -51.49086 27.82833 
1 1 1   26    9   15 o  102.311   19.019  141.777   46.802   0.0000   0.0000  141.777   46.802  ?   ?   102.311   19.019 0.000000 19.01860 
1 1 1   26    9   16 o  154.368   21.084  323.352   79.149  323.352   79.149   0.0000   0.0000  154.368   21.084  ?   ?  0.000000 21.08355 
1 1 1   26    9   17 o  205.951   13.117  546.906   67.111  510.433  102.081  574.669   89.064  193.937   21.437  208.781   17.237 -14.84406 27.50721 
1 1 1   26    9   18 o  129.344   13.507  217.665   42.983  155.916   70.359  254.432   54.292  103.429   26.964  138.899   15.941 -35.47060 31.32421 
1 1 1   26    9   19 o  126.880   13.937  210.412   43.432  199.990   71.701  216.452   54.586  118.151   25.077  127.047   17.685 -8.895355 30.68614 
1 1 1   26    9   20 o   97.629   16.179  127.861   38.063  134.976   66.006  124.316   46.590   95.812   26.629   94.500   20.345 1.311691 33.51123 
1 1 1   26    9   21 o  109.859   14.971  160.142   40.003  127.844   69.224  176.336   49.016   92.581   27.750  114.066   17.788 -21.48537 32.96195 
1 1 1   26    9   22 o   45.491   17.785   18.927   29.285   34.264   58.904   13.892   33.752   61.270   24.799   45.683   18.666 15.58651 31.03946 
1 1 1   26    9   23 o   83.680   18.157   97.316   36.851   55.180   67.151  115.475   44.083   68.616   26.901   90.458   20.043 -21.84207 33.54679 
1 1 1   26   10    0 o   49.757   20.201   15.529   39.215   6.5985   41.086  106.911  131.430   47.909   20.169   95.931   37.628 -48.02230 42.69267 
1 1 1   26   10    1 o  175.168   11.611  390.834   50.501  424.574   75.494  363.507   67.941  180.657   16.932  167.233   16.483 13.42422 23.63014 
1 1 1   26   10    2 o  215.425   12.093  591.148   64.794  502.257   92.787  675.745   90.519  195.534   19.252  228.741   15.947 -33.20741 24.99903 
1 1 1   26   10    3 o  265.710   11.917  896.221   79.074  790.564  113.002  997.595  110.688  246.109   18.523  278.091   16.007 -31.98288 24.48065 
1 1 1   26   10    4 o  128.673   11.969  211.925   38.018  195.412   57.322  224.894   50.799  121.046   19.636  131.434   15.794 -10.38782 25.19969 
1 1 1   26   10    5 o  115.294   13.111  171.396   37.077  139.822   56.412  195.408   49.196  100.910   22.910  122.126   16.558 -21.21671 28.26723 
1 1 1   26   10    6 o   72.277   16.172   69.779   28.459   44.804   45.819   85.465   36.313   62.551   22.713   79.585   18.605 -17.03405 29.36014 
1 1 1   26   10    7 o  200.344   11.499  510.872   57.286  490.541   83.862  528.658   78.439  193.898   17.509  202.198   15.657 -8.299805 23.48791 
1 1 1   26   10    8 o  201.646   11.880  518.361   59.556  440.223   86.797  587.875   81.868  182.672   19.321  213.298   15.475 -30.62576 24.75443 
1 1 1   26   10    9 o  206.849   12.291  546.400   63.203  489.893   92.625  595.633   86.458  192.574   19.531  214.238   16.283 -21.66370 25.42815 
1 1 1   26   10   10 o  188.451   12.408  454.270   58.063  357.990   85.464  536.806   79.129  163.283   21.481  203.516   15.691 -40.23253 26.60177 
1 1 1   26   10   11 o  106.830   13.792  148.396   35.933  137.772   56.756  155.504   46.422   99.642   23.237  108.043   17.828 -8.400742 29.28761 
1 1 1   26   10   12 o  231.121   13.514  686.242   77.656  630.149  113.202  736.103  106.728  217.090   21.150  236.754   18.191 -19.66393 27.89718 
1 1 1   26   10   13 o  173.975   12.655  388.607   54.603  332.017   81.891  433.905   73.266  156.736   21.488  182.303   16.265 -25.56680 26.94978 
1 1 1   26   10   14 o  246.024   14.242  781.151   87.124  658.612  116.311  937.797  131.506  221.427   21.298  265.585   19.975 -44.15800 29.19901 
1 1 1   26   10   15 o  156.259   14.366  317.016   55.428  199.087   79.296  429.691   77.509  117.549   27.502  180.591   17.403 -63.04208 32.54568 
1 1 1   26   10   16 o  139.235   14.153  252.139   48.527  213.325   72.356  283.869   65.421  123.290   24.365  145.929   18.359 -22.63914 30.50763 
1 1 1   26   10   17 o  182.309   14.215  431.265   64.205  323.462   90.891  538.634   90.709  151.977   24.805  201.515   18.223 -49.53809 30.77941 
1 1 1   26   10   18 o   61.852   18.575   51.473   30.993   63.871   56.622   46.170   37.034   70.755   25.306   60.199   20.538 10.55545 32.59146 
1 1 1   26   10   19 o   89.209   17.163  107.693   36.847  101.035   61.639  111.395   45.963   84.104   26.374   89.341   20.963 -5.236839 33.69048 
1 1 1   26   10   20 o  121.593   14.643  194.574   43.568   92.383   70.916  256.527   55.217   81.343   28.390  139.083   16.202 -57.73999 32.68764 
1 1 1   26   10   21 o   47.871   17.872   24.690   28.701 -22.8905   57.799   40.262   33.066   48.266   21.943   56.345   19.401 -8.078815 29.28989 
1 1 1   26   10   22 o   87.998   17.219  105.830   36.483   74.572   64.787  120.346   44.149   74.434   27.011   92.909   19.643 -18.47514 33.39798 
1 1 1   26   10   23 o   87.983   17.162  106.142   36.352   84.028   66.151  115.709   43.511   77.143   27.378   90.779   19.755 -13.63619 33.76073 
1 1 1   26   11    0 o   87.240   22.470  104.676   49.249  106.261   52.765   93.953  137.219   87.715   23.580   94.066   37.929 -6.351608 44.66131 
1 1 1   26   11    1 o  102.242   13.196  135.360   32.905  102.235   49.473  161.638   44.063   86.234   22.674  110.885   16.408 -24.65147 27.98800 
1 1 1   26   11    2 o  123.966   12.431  197.322   37.963  151.705   56.005  236.099   51.636  105.449   21.981  134.697   15.642 -29.24765 26.97850 
1 1 1   26   11    3 o   64.652   16.480   55.929   26.686   15.981   43.105   80.757   33.982   51.684   21.104   77.466   17.923 -25.78165 27.68753 
1 1 1   26   11    4 o   91.123   14.299  108.598   31.467   95.795   49.305  117.396   40.873   83.561   22.933   93.680   18.127 -10.11877 29.23232 
1 1 1   26   11    5 o  193.837   11.617  478.476   55.970  491.809   81.941  466.815   76.632  194.379   17.054  189.658   16.340 4.721725 23.61815 
1 1 1   26   11    6 o   96.107   14.382  120.653   33.456   58.871   51.482  165.816   44.017   69.044   24.184  112.416   16.143 -43.37187 29.07684 
1 1 1   26   11    7 o   67.733   16.638   61.530   27.938   54.881   45.628   65.518   35.337   66.285   22.793   69.735   19.520 -3.449287 30.00910 
1 1 1   26   11    8 o   75.496   15.877   76.011   28.984   63.564   47.529   83.379   36.571   70.032   23.265   78.460   18.892 -8.428139 29.96932 
1 1 1   26   11    9 o  257.587   12.493  845.310   80.362  695.241  115.518  986.043  111.867  229.074   20.408  275.843   16.313 -46.76874 26.12630 
1 1 1   26   11   10 o   86.240   15.416   98.425   31.982   76.070   51.252  112.681   40.929   75.328   24.101   91.435   18.559 -16.10677 30.41849 
1 1 1   26   11   11 o  150.582   13.415  292.226   49.915  227.560   71.116  355.014   70.076  128.877   22.938  164.469   17.323 -35.59227 28.74422 
1 1 1   26   11   12 o  249.969   13.979  804.039   86.907  708.681  115.365  929.160  132.148  230.926   20.209  264.657   20.147 -33.73132 28.53575 
1 1 1   26   11   13 o  134.525   18.002  240.161   58.957  120.786  159.129  259.155   63.474  100.007   40.659  139.511   18.689 -39.50411 44.74899 
1 1 1   26   11   14 o  156.755   19.087  327.530   73.175   0.0000   0.0000  327.530   73.175  ?   ?   156.755   19.087 0.000000 19.08737 
1 1 1   26   11   15 o  221.479   40.641  777.899  216.493  777.899  216.493   0.0000   0.0000  221.479   40.641  ?   ?  0.000000 40.64121 
1 1 1   26   11   16 o   87.918   19.703  106.077   42.186  186.474  172.569  100.967   43.506  110.724   43.204   85.468   20.621 25.25603 47.87293 
1 1 1   26   11   17 o  171.268   18.816  391.491   79.148  148.685  191.087  441.774   86.958  105.445   43.879  181.630   19.476 -76.18497 48.00672 
1 1 1   26   11   18 o  105.930   19.654  153.284   50.075   44.228  188.369  161.577   51.944   91.445   40.752  108.728   19.863 -17.28371 45.33495 
1 1 1   26   11   19 f  187.760   18.519  470.988   85.699  395.913  210.888  485.837   93.792  143.564   49.011  189.633   20.113 -46.06900 52.97742 
1 1 1   26   11   20 o  176.742   17.917  417.148   77.985  569.916  217.413  394.591   83.544  174.275   48.290  170.528   19.999 3.747131 52.26739 
1 1 1   26   11   21 o   55.157   19.884   36.410   35.024 -45.2220  203.140   38.911   35.557   83.106   38.941   56.381   20.065 26.72554 43.80655 
1 1 1   26   11   22 o  116.497   19.463  186.776   54.624  376.486  224.640  174.854   56.315  133.004   49.932  111.856   20.930 21.14754 54.14106 
1 1 1   26   11   23 o  129.898   18.842  231.114   59.335  458.948  239.077  216.159   61.251  141.499   51.805  124.652   20.382 16.84625 55.66988 
1 1 1   26   11   24 o   84.591   18.926  100.321   38.980   49.990   69.655  123.271   47.035   67.638   27.111   93.078   20.764 -25.44032 34.14866 
1 1 1   26   12    0 o   43.710   18.770   0.3737   36.818 -12.7833   38.146  179.571  140.778   40.971   18.293  110.818   39.873 -69.84702 43.86925 
1 1 1   26   12    1 o  136.571   11.777  238.693   39.773  269.394   59.561  213.983   53.433  143.371   16.965  127.484   17.225 15.88715 24.17682 
1 1 1   26   12    2 o   91.652   13.750  109.591   30.499  136.144   47.522   90.995   39.769  100.457   19.647   81.822   19.700 18.63501 27.82269 
1 1 1   26   12    3 o   62.119   16.596   51.588   26.234  -5.5559   41.836   88.619   33.678   44.917   19.641   81.342   17.122 -36.42500 26.05642 
1 1 1   26   12    4 o  125.149   12.474  201.240   38.463  170.776   57.430  226.020   51.796  112.210   21.274  131.529   16.106 -19.31892 26.68312 
1 1 1   26   12    5 o  108.414   13.105  151.959   34.759  107.935   52.727  185.797   46.226   88.356   23.492  119.138   15.937 -30.78275 28.38744 
1 1 1   26   12    6 o   72.014   15.842   69.262   27.716   54.917   44.530   78.333   35.410   66.044   22.521   76.072   18.758 -10.02802 29.31034 
1 1 1   26   12    7 o  193.816   12.008  479.452   57.833  432.327   83.919  522.074   79.810  181.153   18.826  200.598   16.067 -19.44478 24.75018 
1 1 1   26   12    8 o   85.230   14.607   95.621   29.969   86.367   48.771  101.236   37.987   79.420   23.163   86.730   18.123 -7.309761 29.41025 
1 1 1   26   12    9 o  349.644   13.465  1563.28  117.567  1496.82  168.016  1627.04  164.568  336.820   20.067  352.380   18.769 -15.56030 27.47664 
1 1 1   26   12   10 o  163.821   12.948  344.711   52.539  310.983   73.546  379.863   75.082  152.760   19.741  169.908   17.968 -17.14757 26.69435 
1 1 1   26   12   11 o  172.567   16.738  389.505   71.221  435.814  161.139  378.263   79.397  167.211   39.262  168.866   19.168 -1.654831 43.69100 
1 1 1   26   12   12 o   93.688   18.512  118.470   41.774  218.556  144.914  109.400   43.626  118.241   40.622   89.471   20.026 28.77003 45.28962 
1 1 1   26   12   13 o  137.055   17.579  248.609   58.779  226.200  170.611  251.628   62.612  119.212   43.745  137.384   18.739 -18.17204 47.58947 
1 1 1   26   12   14 o  109.706   19.725  163.134   52.051 -57.0843  159.120  189.523   55.081   76.543   35.388  118.644   19.251 -42.10175 40.28492 
1 1 1   26   12   15 o   88.571   18.633  106.658   39.906  340.486  169.067   92.862   41.067  141.876   43.548   82.123   20.171 59.75209 47.99276 
1 1 1   26   12   16 o  127.084   17.278  214.579   53.410  287.394  173.983  207.003   56.120  129.509   44.509  124.177   18.676 5.331512 48.26844 
1 1 1   26   12   17 o  163.852   12.847  346.334   52.145  318.826   81.873  365.108   67.638  152.511   22.145  166.582   16.476 -14.07092 27.60150 
1 1 1   26   12   18 o  156.361   13.119  316.313   50.753  249.735   79.911  361.325   65.707  132.866   25.002  165.789   16.073 -32.92271 29.72277 
1 1 1   26   12   19 o  247.140   13.373  789.196   82.224  588.972  122.985  951.031  110.568  205.451   24.452  269.015   16.539 -63.56377 29.51982 
1 1 1   26   12   20 f  212.232   12.876  581.887   67.916  489.110  105.254  648.072   88.899  187.873   22.909  221.928   16.152 -34.05536 28.03082 
1 1 1   26   12   21 o  137.683   14.300  248.596   48.450  169.859   80.952  292.542   60.478  105.822   29.518  148.280   16.619 -42.45820 33.87477 
1 1 1   26   12   22 o  107.252   18.114  156.836   46.787  461.601  217.434  142.040   47.909  149.369   49.768  101.228   19.661 48.14108 53.51045 
1 1 1   26   12   23 o   80.457   20.063   91.267   40.171  255.354  228.126   86.016   40.809  113.804   47.697   77.937   20.641 35.86678 51.97152 
1 1 1   26   12   24 o  152.730   16.528  313.153   62.031  448.952  250.519  304.283   64.025  135.653   52.298  149.963   17.421 -14.31042 55.12348 
1 1 1   26   13    0 o  117.580   19.780  186.051   56.016  197.971   60.406  112.870  149.674  120.959   20.745   98.172   39.603 22.78721 44.70716 
1 1 1   26   13    1 o  126.817   12.002  206.439   37.557  234.682   56.528  184.120   50.251  133.412   17.380  117.851   17.616 15.56037 24.74636 
1 1 1   26   13    2 o   64.118   15.684   55.052   24.905   41.412   40.058   63.648   31.798   59.434   21.282   68.662   18.237 -9.227810 28.02691 
1 1 1   26   13    3 o  199.857   11.913  509.792   59.187  477.158   85.246  540.165   82.241  190.637   18.125  203.859   16.291 -13.22272 24.37027 
1 1 1   26   13    4 o  169.075   12.039  365.468   50.499  334.362   73.096  393.870   69.847  159.051   18.765  173.921   16.271 -14.86978 24.83710 
1 1 1   26   13    5 o  151.443   11.913  293.409   44.689  308.761   66.052  280.448   60.689  153.292   17.573  146.274   16.927 7.018204 24.39936 
1 1 1   26   13    6 o   98.860   13.859  127.350   33.273   52.820   50.250  185.542   44.402   66.415   23.830  119.201   15.267 -52.78554 28.30137 
1 1 1   26   13    7 o  119.983   13.018  185.798   38.380  148.331   57.643  215.635   51.440  103.659   22.881  128.195   16.448 -24.53597 28.17915 
1 1 1   26   13    8 o   99.152   13.427  127.835   32.391  138.999   51.025  120.299   41.920  100.939   20.930   94.579   18.412 6.360321 27.87550 
1 1 1   26   13    9 o  222.907   13.097  636.997   72.585  602.967   97.315  679.667  108.971  214.178   18.373  226.819   19.426 -12.64061 26.73855 
1 1 1   26   13   10 o  112.233   17.296  167.121   46.918  305.370  145.967  151.192   49.547  138.832   39.951  105.843   19.463 32.98842 44.44000 
1 1 1   26   13   11 o  352.865   17.847  1628.87  156.753  2288.62  263.899  1269.20  194.851  408.263   26.020  303.786   25.934 104.4770 36.73725 
1 1 1   26   13   12 o  118.325   16.507  184.798   47.445  501.280  152.868  151.061   49.910  183.172   34.690  105.608   19.648 77.56345 39.86802 
1 1 1   26   13   13 o  105.720   18.428  150.229   46.881   0.0000   0.0000  150.229   46.881  ?   ?   105.720   18.428 0.000000 18.42791 
1 1 1   26   13   14 o   71.480   17.212   69.213   30.356   54.113   50.885   77.557   37.825   66.619   23.972   75.201   19.851 -8.581879 31.12408 
1 1 1   26   13   15 o   94.071   14.894  116.845   33.822   46.812   54.980  159.484   42.900   65.080   24.642  109.761   16.133 -44.68170 29.45355 
1 1 1   26   13   16 o   58.902   17.250   46.403   27.000  -5.4732   47.818   70.682   32.713   47.663   20.916   71.973   18.192 -24.31017 27.72103 
1 1 1   26   13   17 o   62.298   17.339   52.468   27.965   27.013   50.712   63.590   33.523   57.487   23.101   68.244   18.981 -10.75717 29.89823 
1 1 1   26   13   18 o  124.366   13.365  201.145   40.856  179.015   65.696  215.101   52.171  112.471   24.115  127.230   16.834 -14.75961 29.40936 
1 1 1   26   13   19 o  304.106   13.334  1191.72  101.258  1072.45  149.910  1291.80  137.318  280.944   21.532  312.563   17.665 -31.61829 27.85092 
1 1 1   26   13   20 o  184.654   12.804  440.788   58.676  349.763   90.869  505.884   76.844  157.971   23.772  196.160   15.822 -38.18927 28.55550 
1 1 1   26   13   21 o  297.708   13.433  1146.26   99.868  996.952  150.143  1264.73  133.745  268.626   22.592  308.700   17.421 -40.07407 28.52871 
1 1 1   26   13   22 o  128.120   13.829  215.306   43.542  165.720   72.430  243.368   54.487  105.326   27.310  134.982   16.509 -29.65560 31.91169 
1 1 1   26   13   23 o   65.153   18.440   58.723   31.354 -16.8891   58.784   88.786   37.066   49.566   22.371   79.767   18.898 -30.20061 29.28480 
1 1 1   26   13   24 o  164.019   12.928  351.114   52.522  308.427   86.222  376.299   66.227  145.893   24.537  167.961   15.983 -22.06772 29.28343 
1 1 1   26   14    0 o  182.773   17.874  440.191   80.536  433.155   90.679  466.473  175.246  179.806   20.565  170.173   41.591 9.632568 46.39725 
1 1 1   26   14    1 o  207.183   17.550  563.127   89.948  511.393  102.301  739.369  188.820  195.156   21.340  223.102   35.047 -27.94664 41.03254 
1 1 1   26   14    2 o   80.810   14.958   86.552   29.074   77.820   45.596   92.534   37.742   75.498   22.497   82.548   18.738 -7.049751 29.27843 
1 1 1   26   14    3 o  272.716   12.343  948.411   84.061  897.070  118.624  1000.20  119.139  261.450   18.284  276.808   17.323 -15.35779 25.18715 
1 1 1   26   14    4 o  294.081   12.242  1102.28   89.905  1045.55  127.526  1158.33  126.767  282.471   18.175  298.167   17.097 -15.69580 24.95287 
1 1 1   26   14    5 o  222.228   11.714  629.952   64.778  565.822   92.424  691.872   90.816  207.602   18.006  230.938   15.844 -23.33658 23.98424 
1 1 1   26   14    6 o  143.896   12.710  266.216   45.203  204.492   66.046  320.607   61.999  122.210   22.470  156.738   16.067 -34.52757 27.62327 
1 1 1   26   14    7 o  139.658   12.184  250.309   42.065  220.990   62.538  274.534   56.847  128.161   20.210  144.955   15.969 -16.79338 25.75809 
1 1 1   26   14    8 o  112.990   12.343  164.604   34.261  197.046   53.421  141.937   44.654  121.712   18.130  102.994   18.018 18.71780 25.56058 
1 1 1   26   14    9 o   86.207   15.067   98.291   31.255  107.103   49.736   92.540   40.179   87.868   22.553   82.285   19.795 5.583130 30.00790 
1 1 1   26   14   10 o  109.778   17.131  160.035   45.428  292.255  141.927  144.942   47.950  135.702   39.495  103.586   19.245 32.11547 43.93409 
1 1 1   26   14   11 o  241.549   16.503  760.694   98.948  1030.35  190.385  660.899  115.819  270.488   28.621  222.091   21.138 48.39716 35.58046 
1 1 1   26   14   12 o   84.211   18.935   96.614   38.851   0.0000   0.0000   96.614   38.851  ?   ?    84.211   18.935 0.000000 18.93455 
1 1 1   26   14   13 o  152.105   16.887  304.657   63.060  279.759   68.834  434.669  157.296  144.419   19.592  166.163   38.639 -21.74419 43.32239 
1 1 1   26   14   14 o   97.295   13.975  124.045   32.980  103.861   53.464  136.443   41.902   85.967   23.992  100.985   17.235 -15.01858 29.54032 
1 1 1   26   14   15 o  181.348   11.948  421.744   53.803  403.353   80.556  436.554   72.290  173.993   18.841  182.642   16.012 -8.649185 24.72575 
1 1 1   26   14   16 o  110.417   13.328  158.730   36.006  150.277   58.241  163.958   45.809  103.499   23.118  110.849   17.099 -7.349663 28.75431 
1 1 1   26   14   17 o  148.892   12.750  286.320   46.949  226.258   71.809  331.162   62.047  127.285   23.456  158.820   15.857 -31.53513 28.31279 
1 1 1   26   14   18 o   93.628   14.694  115.982   33.225  143.417   56.208  101.249   41.191  100.948   22.832   85.655   19.672 15.29214 30.13778 
1 1 1   26   14   19 o  219.994   12.489  623.239   68.326  580.287  103.029  656.957   91.287  207.297   20.158  223.412   16.479 -16.11523 26.03640 
1 1 1   26   14   20 o  170.101   13.081  374.972   55.140  263.922   84.563  457.110   72.727  135.426   25.950  186.414   15.771 -50.98798 30.36618 
1 1 1   26   14   21 o  262.186   12.719  885.963   83.272  854.519  126.326  910.126  110.738  250.848   20.342  262.077   17.013 -11.22835 26.51822 
1 1 1   26   14   22 o  119.137   13.796  186.427   40.285  169.655   67.871  195.550   50.055  107.555   25.633  120.526   17.112 -12.97016 30.81983 
1 1 1   26   14   23 o  146.696   13.623  281.854   49.336  220.525   80.220  319.163   62.568  121.567   27.115  154.576   16.462 -33.00863 31.72118 
1 1 1   26   14   24 o  108.256   15.324  156.932   40.269   98.271   69.315  186.818   49.475   81.714   28.093  117.180   17.439 -35.46528 33.06571 
1 1 1   26   15    0 f   52.313   20.162   26.331   37.224   29.604   38.340 -27.4849  155.474   53.975   20.544   78.576   35.825 -24.60101 41.29774 
1 1 1   26   15    1 o  244.810   17.092  785.089  103.831  622.872  118.828  1308.81  213.512  214.246   22.549  304.623   28.395 -90.37706 36.25916 
1 1 1   26   15    2 o  123.330   18.034  202.706   53.901  207.613   57.254  164.460  159.843  124.409   19.034  107.155   41.644 17.25406 45.78827 
1 1 1   26   15    3 o   70.565   21.512   67.350   41.344   70.643   42.961   26.063  152.118   72.131   21.915   84.796   37.257 -12.66463 43.22462 
1 1 1   26   15    4 o  277.265   11.869  979.720   82.175  972.405  116.437  986.979  115.991  272.749   17.183  274.936   16.977 -2.187500 24.15569 
1 1 1   26   15    5 o  161.511   11.754  333.908   47.079  303.370   68.272  361.595   65.008  151.212   18.464  166.495   15.826 -15.28302 24.31828 
1 1 1   26   15    6 o  248.587   12.074  787.941   74.951  717.522  106.663  856.629  105.344  233.388   18.452  256.405   16.541 -23.01675 24.78040 
1 1 1   26   15    7 o  118.868   12.584  182.355   36.787  142.319   55.657  213.414   49.022  101.324   22.574  127.607   15.716 -26.28352 27.50626 
1 1 1   26   15    8 o   79.796   15.695   84.960   30.160   56.536   47.089  104.730   39.273   66.867   23.146   87.934   18.472 -21.06631 29.61320 
1 1 1   26   15    9 o  187.163   16.412  457.819   75.933  573.703  167.820  427.988   85.148  195.098   35.764  179.401   19.310 15.69771 40.64425 
1 1 1   26   15   10 o  136.635   16.555  245.704   55.332  314.144  147.573  234.509   59.686  139.680   40.163  132.605   18.531 7.075485 44.23203 
1 1 1   26   15   11 o   82.910   18.543   93.510   37.429 -85.8487  140.355  107.242   38.835   69.069   32.365   89.061   18.079 -19.99193 37.07250 
1 1 1   26   15   12 o   38.735   15.339   11.333   22.035   16.365   42.824   9.5210   25.697   51.297   21.001   40.161   16.335 11.13556 26.60562 
1 1 1   26   15   13 o  192.911   11.958  476.828   57.322  438.323   83.993  510.397   78.425  181.567   18.797  197.647   16.028 -16.08028 24.70263 
1 1 1   26   15   14 o  148.829   12.157  284.882   44.787  281.862   68.196  287.172   59.390  144.914   19.327  147.715   16.376 -2.801193 25.33178 
1 1 1   26   15   15 f  186.615   12.189  447.197   56.492  395.648   83.454  490.794   76.749  171.626   19.838  193.640   16.016 -22.01361 25.49572 
1 1 1   26   15   16 o  115.615   13.444  174.047   38.090  114.517   59.378  215.673   49.652   89.557   25.387  127.888   15.890 -38.33112 29.94953 
1 1 1   26   15   17 o   86.942   15.267  100.698   31.936   63.005   53.143  122.006   39.956   69.869   24.565   95.089   17.470 -25.22048 30.14424 
1 1 1   26   15   18 o  169.583   12.026  370.010   50.596  324.301   77.197  404.432   66.991  154.438   20.525  175.704   15.424 -21.26674 25.67462 
1 1 1   26   15   19 f   93.444   14.611  115.666   32.977   89.753   55.802  129.573   40.879   79.762   25.108   97.957   17.346 -18.19498 30.51702 
1 1 1   26   15   20 o  187.241   12.621  452.985   58.667  413.251   89.934  482.418   77.403  173.651   21.178  191.105   16.378 -17.45355 26.77201 
1 1 1   26   15   21 o  206.992   12.737  554.297   65.519  483.359   99.884  607.871   86.803  187.128   21.783  214.442   16.333 -27.31329 27.22564 
1 1 1   26   15   22 o   98.439   14.843  129.009   35.353  139.383   61.902  123.988   43.068   97.497   25.231   94.769   18.862 2.728149 31.50170 
1 1 1   26   15   23 o  159.356   13.541  332.126   53.373  223.776   84.582  403.816   68.801  121.486   28.391  174.321   15.983 -52.83492 32.58072 
1 1 1   26   15   24 o  103.361   15.831  143.928   39.560   9.4524   67.032  215.795   49.003   57.687   25.049  126.960   15.798 -69.27253 29.61506 
1 1 1   26   16    0 o  263.944   15.224  906.385   99.919  862.219  111.243  1090.78  227.300  255.751   17.524  268.732   34.680 -12.98076 38.85638 
1 1 1   26   16    1 o  130.942   19.769  231.810   62.630  258.385   67.219   56.884  172.459  138.215   20.061   91.220   39.884 46.99480 44.64564 
1 1 1   26   16    2 o   45.151   18.619   10.652   33.967   6.9409   34.817   83.942  154.730   44.375   18.618   92.542   39.059 -48.16768 43.26913 
1 1 1   26   16    3 o  131.759   17.380  230.397   55.790  237.572   59.397  176.646  162.572  133.407   18.312  108.776   42.075 24.63088 45.88777 
1 1 1   26   16    4 o  242.249   14.872  760.571   89.530  675.643   99.279  1130.38  207.167  226.562   17.688  280.856   30.003 -54.29396 34.82838 
1 1 1   26   16    5 o  113.135   18.354  171.706   50.076  157.581   52.665  304.856  161.695  107.459   20.372  135.129   42.763 -27.67020 47.36743 
1 1 1   26   16    6 o   93.978   13.348  115.345   30.445  109.839   47.318  119.234   39.771   89.021   21.523   94.184   17.556 -5.163353 27.77461 
1 1 1   26   16    7 o   67.029   15.740   60.433   25.896   57.023   41.481   62.611   33.148   65.975   21.726   67.900   18.871 -1.925591 28.77693 
1 1 1   26   16    8 o   96.723   13.236  121.983   31.130  142.606   48.744  107.777   40.454  102.349   19.787   89.027   18.787 13.32279 27.28549 
1 1 1   26   16    9 o   74.114   18.515   74.913   34.168  170.383  139.711   68.839   35.238  106.838   39.521   71.014   19.346 35.82415 44.00166 
1 1 1   26   16   10 o  140.178   15.974  257.980   54.917  505.756  155.575  222.711   58.696  182.453   35.423  128.929   18.783 53.52438 40.09465 
1 1 1   26   16   11 o  106.969   18.102  153.726   46.630   0.0000   0.0000  153.726   46.630  ?   ?   106.969   18.102 0.000000 18.10228 
1 1 1   26   16   12 o  214.070   17.693  604.332   93.735  604.332   93.735   0.0000   0.0000  214.070   17.693  ?   ?  0.000000 17.69305 
1 1 1   26   16   13 o  206.569   11.940  546.849   61.329  576.108   90.189  521.682   83.646  209.066   17.434  199.154   16.981 9.912170 24.33746 
1 1 1   26   16   14 o  141.190   12.392  257.033   43.250  249.444   65.841  262.793   57.361  135.743   20.025  141.053   16.603 -5.309753 26.01254 
1 1 1   26   16   15 o  103.032   13.941  139.102   34.947   92.151   55.548  169.859   44.959   81.042   24.976  113.087   16.399 -32.04465 29.87850 
1 1 1   26   16   16 o  143.141   12.296  264.263   43.524  204.423   66.305  309.567   57.693  121.133   22.755  153.753   15.226 -32.61993 27.37963 
1 1 1   26   16   17 o  129.282   12.834  216.670   40.886  189.630   64.135  235.181   53.066  116.388   22.882  133.310   16.279 -16.92230 28.08208 
1 1 1   26   16   18 o  230.520   12.375  683.769   70.976  686.295  105.443  681.676   95.975  226.642   18.800  227.193   17.041 -0.5501556 25.37395 
1 1 1   26   16   19 o   56.745   17.004   43.095   25.994   8.7446   48.956   56.581   30.675   51.408   21.848   64.375   18.246 -12.96682 28.46476 
1 1 1   26   16   20 o  133.188   12.899  230.603   42.363  214.275   68.006  240.956   54.153  123.359   22.920  134.560   16.459 -11.20057 28.21756 
1 1 1   26   16   21 o  222.795   11.985  639.647   66.436  659.123  100.972  624.779   88.223  221.598   18.414  217.295   16.379 4.302643 24.64399 
1 1 1   26   16   22 o  202.802   12.493  532.517   62.962  472.527   96.542  576.918   83.056  184.885   21.300  208.741   16.057 -23.85625 26.67414 
1 1 1   26   16   23 o  202.200   12.807  531.290   64.332  455.920   99.481  585.464   84.340  180.030   22.628  209.868   16.219 -29.83807 27.84016 
1 1 1   26   16   24 f  130.402   13.740  224.001   44.069  162.983   73.008  258.977   55.274  103.172   27.738  138.936   16.238 -35.76453 32.14103 
1 1 1   26   17    0 o   86.986   20.105  104.917   42.797   99.855   44.145  184.022  174.510   84.551   21.002  108.335   43.082 -23.78384 47.92870 
1 1 1   26   17    1 f   77.420   21.904   83.649   44.247   85.301   45.772   60.089  172.852   78.100   22.342   90.777   39.804 -12.67657 45.64532 
1 1 1   26   17    2 o  112.623   19.995  173.275   54.175  172.251   57.098  182.515  171.516  111.695   21.248  108.795   42.886 2.899986 47.86051 
1 1 1   26   17    3 o   60.310   20.752   45.926   37.826   49.900   38.927 -21.3210  160.129   62.256   21.058   79.554   36.304 -17.29839 41.96957 
1 1 1   26   17    4 o  212.712   15.233  589.435   80.381  562.215   87.677  732.870  201.268  206.582   17.151  215.462   38.836 -8.880341 42.45412 
1 1 1   26   17    5 o   55.448   20.307   34.951   36.742   25.287   37.753  208.185  159.842   52.053   20.236  113.926   42.246 -61.87230 46.84306 
1 1 1   26   17    6 o   81.370   20.929   91.800   42.769   89.125   44.540  123.442  153.185   80.053   21.725   98.385   39.933 -18.33209 45.45996 
1 1 1   26   17    7 o  169.270   15.475  374.397   64.688  347.206   69.751  541.564  172.945  161.953   17.526  185.117   38.660 -23.16463 42.44685 
1 1 1   26   17    8 o  220.771   13.020  627.331   71.463  632.158  101.797  622.641  100.345  218.099   18.877  216.533   18.742 1.565613 26.60119 
1 1 1   26   17    9 o  245.928   17.462  796.063  106.544  853.733  195.490  771.695  127.076  239.259   33.649  238.986   21.524 0.2730255 39.94446 
1 1 1   26   17   10 o  118.577   18.338  188.775   52.547   0.0000   0.0000  188.775   52.547  ?   ?   118.577   18.338 0.000000 18.33771 
1 1 1   26   17   11 o  159.214   30.641  372.943  117.401  456.066  165.851  289.460  166.209  167.607   40.153  130.070   43.515 37.53659 59.20992 
1 1 1   26   17   12 o  194.700   11.461  485.272   55.480  523.630   82.218  453.205   75.174  199.616   16.646  185.776   16.372 13.84039 23.34754 
1 1 1   26   17   13 o  176.860   12.207  402.154   53.582  366.715   79.100  432.206   72.839  165.189   19.555  181.410   16.251 -16.22101 25.42614 
1 1 1   26   17   14 o  141.114   12.543  257.183   43.738  213.897   66.277  290.579   58.215  124.311   22.163  148.609   15.936 -24.29790 27.29716 
1 1 1   26   17   15 o   37.330   14.995   9.3913   21.357 -39.0221   39.825   28.935   25.303   36.211   17.054   48.919   16.965 -12.70733 24.05481 
1 1 1   26   17   16 f  166.783   11.835  357.608   48.970  346.381   73.856  366.417   65.418  160.727   18.754  166.951   15.883 -6.223526 24.57578 
1 1 1   26   17   17 o  170.846   12.007  375.686   50.900  330.061   75.817  413.125   68.679  156.079   19.905  177.383   15.666 -21.30344 25.33050 
1 1 1   26   17   18 o  172.194   11.831  381.548   50.563  364.973   77.054  394.083   67.008  164.571   19.105  173.115   15.670 -8.544556 24.70942 
1 1 1   26   17   19 o  219.522   12.033  620.214   65.710  584.659   98.680  648.537   88.076  208.420   19.175  221.993   15.995 -13.57343 24.97053 
1 1 1   26   17   20 f   99.563   14.263  131.066   34.449   98.201   57.232  149.737   43.139   82.587   25.335  105.414   16.963 -22.82674 30.48976 
1 1 1   26   17   21 o   62.885   17.148   54.159   27.671   43.350   53.649   58.077   32.299   62.686   24.192   64.957   18.822 -2.270882 30.65191 
1 1 1   26   17   22 o  222.559   12.537  641.542   69.392  615.040  104.853  662.196   92.563  212.123   20.032  223.037   16.741 -10.91437 26.10628 
1 1 1   26   17   23 o  114.279   14.551  173.303   40.583   52.472   66.298  245.710   51.322   67.893   26.695  135.898   15.395 -68.00536 30.81563 
1 1 1   26   17   24 o   81.328   16.363   90.583   32.082   79.710   60.436   94.849   37.856   74.971   26.206   82.247   18.837 -7.276047 32.27333 
1 1 1   26   18    0 o  112.743   18.203  172.307   49.502  164.239   51.362  277.668  185.605  109.399   19.517  122.707   45.520 -13.30788 49.52729 
1 1 1   26   18    1 o   49.687   19.105   24.335   33.364   16.948   34.006  214.452  172.523   47.156   18.928  112.538   43.396 -65.38254 47.34452 
1 1 1   26   18    2 o  116.989   19.709  187.049   55.532  181.115   58.458  241.910  177.737  114.307   21.262  117.761   44.374 -3.454468 49.20514 
1 1 1   26   18    3 o  192.628   15.404  485.916   73.475  473.547   79.045  564.517  199.262  189.260   16.903  179.869   44.586 9.391205 47.68254 
1 1 1   26   18    4 o   97.146   20.427  130.544   47.983  136.775   50.019   58.633  169.915   99.318   20.833   89.999   39.463 9.318901 44.62469 
1 1 1   26   18    5 o   42.674   17.980   5.6193   32.695   7.7317   33.409 -42.2215  158.988   43.758   18.290   76.768   35.450 -33.00966 39.88992 
1 1 1   26   18    6 o  101.463   19.094  140.368   46.604  127.750   48.532  289.747  166.985   95.982   20.845  129.007   43.614 -33.02437 48.33940 
1 1 1   26   18    7 o  182.594   15.502  436.301   70.015  401.249   75.600  647.583  185.609  173.883   17.656  202.332   38.134 -28.44905 42.02282 
1 1 1   26   18    8 o  218.284   15.552  622.468   84.220  608.686   93.426  682.237  194.559  214.531   17.594  206.736   39.119 7.794510 42.89360 
1 1 1   26   18    9 o  171.393   18.293  391.492   77.083  391.492   77.083   0.0000   0.0000  171.393   18.293  ?   ?  0.000000 18.29272 
1 1 1   26   18   10 o  137.467   42.724  325.129  162.156  325.129  162.156   0.0000   0.0000  137.467   42.724  ?   ?  0.000000 42.72421 
1 1 1   26   18   11 o  192.600   17.573  491.344   83.589  380.444  173.059  525.088   95.463  147.790   43.781  197.812   19.583 -50.02251 47.96125 
1 1 1   26   18   12 o   87.735   14.119  101.678   29.883  110.857   48.362   96.009   38.007   88.918   21.920   83.699   18.660 5.219307 28.78693 
1 1 1   26   18   13 o  182.293   11.715  426.589   53.047  508.603   79.309  360.194   71.358  196.686   16.294  164.602   17.635 32.08391 24.00995 
1 1 1   26   18   14 o  109.190   13.059  155.354   34.902  154.481   55.250  155.934   45.023  105.290   21.734  107.769   17.316 -2.479179 27.78840 
1 1 1   26   18   15 o  144.234   12.579  269.029   44.852  223.676   67.550  304.789   59.983  126.957   22.110  152.010   16.044 -25.05278 27.31789 
1 1 1   26   18   16 o  228.200   12.411  670.478   70.460  676.982  103.434  664.847   96.245  225.186   18.559  224.066   17.336 1.120102 25.39617 
1 1 1   26   18   17 o  102.204   13.725  137.171   34.145  145.849   55.375  131.848   43.371  101.715   22.406   98.371   18.330 3.344063 28.94859 
1 1 1   26   18   18 o   59.868   16.733   48.613   25.986  -4.7992   46.349   73.098   31.382   46.780   20.559   73.029   17.447 -26.24882 26.96457 
1 1 1   26   18   19 o  224.723   12.021  650.406   67.215  654.007  100.269  647.468   90.580  220.963   18.337  221.262   16.513 -0.2988129 24.67634 
1 1 1   26   18   20 o  157.229   12.224  319.922   47.619  368.247   74.184  286.054   62.103  165.329   18.274  146.045   17.369 19.28394 25.21154 
1 1 1   26   18   21 o  115.683   13.603  175.803   38.546  134.583   62.550  201.040   48.944   95.500   25.674  122.500   16.412 -26.99964 30.47156 
1 1 1   26   18   22 o  104.281   13.786  143.673   35.019  186.908   61.267  122.693   42.678  114.739   22.185   94.089   18.821 20.65002 29.09357 
1 1 1   26   18   23 o   57.185   17.243   44.439   26.669   78.175   53.844   33.473   30.699   74.163   24.767   52.298   18.641 21.86494 30.99841 
1 1 1   26   18   24 o   99.234   15.662  132.985   37.525   49.607   64.797  175.058   46.029   66.365   26.296  113.565   16.732 -47.19941 31.16808 
1 1 1   26   19    0 o  101.902   19.276  143.326   47.254  156.753   48.936 -41.8941  181.753  106.792   19.049   79.322   37.060 27.47040 41.66932 
1 1 1   26   19    1 o   75.195   20.111   79.093   38.499   79.461   39.436   71.613  177.628   75.302   20.446   90.728   40.046 -15.42682 44.96342 
1 1 1   26   19    2 o   56.382   20.430   37.944   37.045   38.302   37.903   30.298  175.156   56.767   20.651   85.996   38.733 -29.22934 43.89382 
1 1 1   26   19    3 o  142.607   19.028  275.512   66.072  292.729   70.835  160.258  183.276  146.555   19.867  103.648   43.038 42.90741 47.40251 
1 1 1   26   19    4 o  107.846   19.376  159.380   50.264  167.072   52.304   66.549  181.708  110.315   19.710   91.579   40.458 18.73602 45.00402 
1 1 1   26   19    5 o   62.143   20.623   50.834   37.349   40.861   38.269  250.850  171.383   58.037   20.799  119.279   43.832 -61.24208 48.51680 
1 1 1   26   19    6 o   64.085   20.811   54.845   38.109   62.190   39.149 -77.9846  166.483   67.524   20.994   74.454   35.004 -6.930573 40.81659 
1 1 1   26   19    7 o  124.953   17.426  209.083   52.894  191.661   55.488  382.514  175.069  118.614   19.404  146.389   44.188 -27.77505 48.26037 
1 1 1   26   19    8 o  105.842   19.388  153.258   49.356  148.448   51.594  205.130  169.422  103.548   20.677  111.526   43.005 -7.978081 47.71734 
1 1 1   26   19   10 o   83.379   36.257   45.954  140.824   45.954  140.824   0.0000   0.0000   83.379   36.257  ?   ?  0.000000 36.25657 
1 1 1   26   19   11 o  139.014   32.934  297.536  112.571  326.891  154.378  264.204  164.504  137.978   41.460  122.959   43.221 15.01923 59.89120 
1 1 1   26   19   12 o  235.175   14.947  721.437   87.325  703.538   97.864  791.377  193.451  230.713   17.108  226.071   35.431 4.642380 39.34540 
1 1 1   26   19   13 o  164.847   11.541  349.223   47.207  377.457   70.534  326.314   63.535  168.717   16.971  157.054   16.444 11.66351 23.63112 
1 1 1   26   19   14 o  110.603   12.524  159.025   33.981  158.217   53.661  159.566   43.906  106.828   20.863  109.218   16.623 -2.390167 26.67585 
1 1 1   26   19   15 o  244.891   12.433  772.502   75.781  739.722  109.866  802.252  104.664  234.995   18.882  246.237   17.128 -11.24225 25.49272 
1 1 1   26   19   16 o  100.389   14.199  132.950   34.602  117.678   54.600  143.200   44.731   90.596   23.819  102.653   18.112 -12.05644 29.92292 
1 1 1   26   19   17 o  134.783   12.413  235.463   41.310  273.408   64.881  209.594   53.572  142.199   18.727  124.785   17.687 17.41406 25.75912 
1 1 1   26   19   18 o   71.348   16.043   69.236   27.889   71.457   48.903   68.166   33.952   71.962   23.584   70.164   18.938 1.798302 30.24638 
1 1 1   26   19   19 o  173.573   12.064  389.202   51.967  379.030   78.541  397.123   69.306  167.147   19.163  173.044   16.228 -5.897232 25.11116 
1 1 1   26   19   20 o  163.299   12.670  346.252   51.263  340.639   78.191  350.483   67.889  157.366   20.376  161.845   17.054 -4.478561 26.57117 
1 1 1   26   19   21 o   83.111   15.501   93.332   30.987   69.956   53.587  105.076   37.982   71.410   24.692   87.277   18.024 -15.86671 30.57082 
1 1 1   26   19   22 o   67.061   23.580   60.188   48.967   62.304   52.047   43.885  144.490   68.276   24.278   80.973   35.910 -12.69653 43.34685 
1 1 1   26   19   23 o   58.395   23.085   34.793   49.831   45.930   52.972 -50.8602  146.908   62.716   24.082   70.339   33.009 -7.623043 40.86016 
1 1 1   26   19   24 o   84.112   25.594  106.121   58.560   94.799   63.469  170.938  151.858   79.892   26.889   99.082   39.918 -19.18951 48.13019 
1 1 1   26   20    0 o  145.290   16.995  283.773   60.495  278.175   63.256  343.729  207.004  143.173   18.097  127.809   47.942 15.36414 51.24329 
1 1 1   26   20    1 o  123.862   17.938  208.346   53.869  197.066   55.940  352.241  199.797  119.624   19.390  131.145   47.457 -11.52058 51.26591 
1 1 1   26   20    2 o   60.383   20.235   48.127   35.942   45.692   36.649  109.375  183.825   59.419   20.428   95.122   41.393 -35.70364 46.15958 
1 1 1   26   20    3 o   94.686   20.959  126.162   48.247  129.557   50.003   80.349  183.677   95.753   21.445   92.003   40.660 3.749809 45.96835 
1 1 1   26   20    4 o   94.657   20.054  124.847   45.929  120.392   47.454  190.841  182.647   92.492   21.022  107.088   43.552 -14.59548 48.36005 
1 1 1   26   20    5 o   84.357   20.405   99.764   42.516  106.067   43.692 -12.6489  184.520   86.997   20.456   82.873   38.242 4.123528 43.36867 
1 1 1   26   20    6 o  123.429   18.709  207.019   55.857  220.556   58.600   72.513  184.724  127.303   19.017   92.029   40.718 35.27354 44.93979 
1 1 1   26   20    7 o  137.225   16.690  251.005   56.014  218.360   58.674  586.732  188.163  126.632   19.153  185.496   41.642 -58.86404 45.83529 
1 1 1   26   20    8 o  113.103   20.813  177.372   56.617  184.017   59.760  119.132  176.916  114.811   21.637   97.395   41.465 17.41576 46.77105 
1 1 1   26   20    9 o   96.475   20.885  130.034   48.856  146.937   50.760 -82.6827  180.069  102.899   20.474   76.384   36.062 26.51469 41.46856 
1 1 1   26   20   10 o   83.836   36.431   52.161  141.990   52.161  141.990   0.0000   0.0000   83.836   36.431  ?   ?  0.000000 36.43075 
1 1 1   26   20   11 o  173.312   30.423  448.538  126.864  544.933  169.475  325.674  191.333  182.917   38.329  131.092   46.557 51.82491 60.30464 
1 1 1   26   20   12 o  141.849   16.705  267.805   58.039  232.402   61.639  544.573  172.345  130.590   19.499  181.911   39.103 -51.32124 43.69460 
1 1 1   26   20   13 o  147.270   16.842  288.791   60.824  248.241   64.973  576.207  172.980  134.788   19.902  188.417   38.074 -53.62878 42.96199 
1 1 1   26   20   14 o   53.866   20.716   29.663   39.236   38.594   40.720 -86.2212  146.674   57.701   21.338   68.871   32.524 -11.17009 38.89903 
1 1 1   26   20   15 o  124.132   13.223  201.067   40.358  111.695   60.444  272.965   54.213   87.596   25.854  143.837   15.330 -56.24066 30.05730 
1 1 1   26   20   16 o  151.027   11.975  294.699   44.793  294.571   67.963  294.797   59.560  147.441   18.894  148.984   16.274 -1.543045 24.93591 
1 1 1   26   20   17 o   83.752   15.138   94.132   30.496   47.071   50.050  121.919   38.459   63.056   23.589   94.896   16.847 -31.83972 28.98701 
1 1 1   26   20   18 o  133.941   12.948  233.819   42.769  230.310   66.595  236.282   55.796  128.434   21.526  132.564   17.265 -4.130936 27.59409 
1 1 1   26   20   19 o  110.224   13.178  159.355   35.554  140.605   57.087  171.236   45.443   98.662   23.506  112.790   16.633 -14.12821 28.79551 
1 1 1   26   20   20 o  134.660   12.763  236.506   42.407  230.355   66.262  240.773   55.190  128.162   21.463  133.810   16.893 -5.647629 27.31359 
1 1 1   26   20   21 o  106.062   21.985  160.434   56.317  138.258   59.792  334.764  167.640   96.856   24.657  131.600   43.692 -34.74427 50.16925 
1 1 1   26   20   22 o   53.304   21.862   21.539   46.514   8.3027   49.070  138.725  146.007   50.690   21.715   94.586   38.756 -43.89621 44.42539 
1 1 1   26   20   23 o   86.076   25.297  110.917   57.975  134.609   62.758 -26.9813  151.407   94.383   25.861   73.131   34.053 21.25224 42.75969 
1 1 1   26   20   24 o  142.930   21.360  289.702   73.899  276.911   82.787  339.868  163.947  136.634   25.191  129.607   43.217 7.027298 50.02280 
1 1 1   26   21    0 o   72.622   20.866   75.131   39.844   69.114   40.651  222.107  200.919   69.844   21.340  107.272   44.846 -37.42811 49.66408 
1 1 1   26   21    1 f  171.798   16.298  394.703   69.083  404.059   72.944  313.299  215.176  173.285   17.079  120.375   47.849 52.90971 50.80561 
1 1 1   26   21    2 o   65.022   20.485   58.401   37.136   55.281   37.827  141.477  195.193   63.650   20.736   98.273   42.709 -34.62348 47.47712 
1 1 1   26   21    3 f  110.678   18.312  167.872   48.843  167.034   50.495  180.053  192.508  109.997   19.074  103.647   43.647 6.349648 47.63275 
1 1 1   26   21    4 o  164.342   18.917  367.525   76.217  381.962   82.244  279.706  202.844  166.660   20.172  118.488   46.660 48.17188 50.83370 
1 1 1   26   21    5 o  127.226   17.697  219.057   54.703  221.000   56.981  196.205  195.445  127.385   18.450  106.864   44.415 20.52094 48.09432 
1 1 1   26   21    6 o  111.489   18.531  170.004   49.782  168.206   51.500  195.606  194.337  110.452   19.378  107.134   44.388 3.317863 48.43369 
1 1 1   26   21    7 o  102.510   19.606  145.530   48.359  157.331   50.072 -18.1076  186.462  106.729   19.506   82.105   38.082 24.62419 42.78658 
1 1 1   26   21    8 o   66.405   21.363   60.219   40.226   67.842   41.332 -76.6008  175.105   69.858   21.547   75.169   35.510 -5.311043 41.53592 
1 1 1   26   21    9 o  161.024   16.625  345.246   65.887  356.364   69.785  253.991  199.932  163.148   17.397  116.475   46.178 46.67293 49.34672 
1 1 1   26   21   10 o   49.265   19.428   21.643   35.215   21.643   35.215   0.0000   0.0000   49.265   19.428  ?   ?  0.000000 19.42821 
1 1 1   26   21   11 o   73.479   33.528 -15.2603  136.523 -15.2603  136.523   0.0000   0.0000   73.479   33.528  ?   ?  0.000000 33.52809 
1 1 1   26   21   12 o   66.704   21.268   60.847   39.939   52.248   41.127  203.356  167.422   63.138   21.643  108.987   42.547 -45.84904 47.73524 
1 1 1   26   21   13 o  130.516   18.125  230.463   57.478  246.410   61.177  110.404  167.857  134.705   18.690   94.464   40.307 40.24117 44.42989 
1 1 1   26   21   14 o   67.620   22.200   62.320   43.323   85.055   45.083 -211.9973  156.599   77.445   22.179   61.369   30.084 16.07525 37.37590 
1 1 1   26   21   15 o  178.793   16.639  425.329   73.435  434.909   80.436  377.371  179.966  179.770   18.167  140.829   45.173 38.94109 48.68912 
1 1 1   26   21   16 o  143.518   17.977  278.197   63.015  285.426   67.981  234.068  167.956  144.586   19.311  113.696   43.066 30.88976 47.19718 
1 1 1   26   21   17 o   53.179   20.986   26.490   41.112   33.664   42.700 -64.6012  152.156   56.208   21.613   71.225   33.479 -15.01686 39.84880 
1 1 1   26   21   18 f  112.396   12.680  165.189   34.967  182.453   56.348  154.376   44.592  114.376   20.480  106.585   17.351 7.790421 26.84196 
1 1 1   26   21   19 o   40.277   15.147   16.648   20.688   54.485   43.888   5.8388   23.458   64.179   22.338   36.933   15.372 27.24626 27.11572 
1 1 1   26   21   20 f   90.448   14.397  109.340   31.429  118.698   53.618  104.442   38.792   90.134   23.558   86.654   18.490 3.480553 29.94803 
1 1 1   26   21   21 o  110.736   42.450  233.126  164.416   0.0000   0.0000  233.126  164.416  ?   ?   110.736   42.450 0.000000 42.45007 
1 1 1   26   21   22 o   92.641   24.220  127.337   56.660  128.942   60.439  115.694  162.803   92.621   25.379   91.314   39.344 1.307091 46.81936 
1 1 1   26   21   23 o  111.017   14.127  164.111   38.277  165.522   66.535  163.412   46.796  104.627   25.661  108.862   17.832 -4.235382 31.24815 
1 1 1   26   22    0 o   64.270   20.471   57.870   37.007   54.722   37.577  159.130  213.136   62.873   20.677   97.314   43.359 -34.44132 48.03708 
1 1 1   26   22    1 o  135.463   17.748  251.098   58.592  257.774   60.899  167.948  214.927  136.933   18.265   99.214   43.908 37.71828 47.55526 
1 1 1   26   22    2 o   81.679   20.351   95.306   41.357   94.011   42.245  125.121  202.697   80.944   20.791   94.870   42.276 -13.92530 47.11173 
1 1 1   26   22    3 o  164.940   16.886  366.534   68.570  381.947   72.352  230.541  214.913  167.948   17.509  108.092   45.849 59.85649 49.07874 
1 1 1   26   22    4 o  112.071   45.638  251.880  200.892   0.0000   0.0000  251.880  200.892  ?   ?   112.071   45.638 0.000000 45.63774 
1 1 1   26   22    5 o   89.221   21.018  113.448   46.058  100.044   47.339  351.186  199.364   83.230   22.318  128.770   47.282 -45.53954 52.28475 
1 1 1   26   22    6 o  144.484   17.888  283.160   63.162  305.542   66.424   71.983  204.033  150.012   18.097   91.426   41.433 58.58607 45.21246 
1 1 1   26   22    7 o   77.334   32.994   53.672  112.447   78.460  138.068   4.8373  193.790   85.144   36.449   84.165   38.961 0.9792175 53.35286 
1 1 1   26   22    8 o  228.027   17.358  696.398   98.098  696.398   98.098   0.0000   0.0000  228.027   17.358  ?   ?  0.000000 17.35787 
1 1 1   26   22    9 f  228.075   15.496  686.880   87.734  632.054   95.263  993.166  225.162  216.934   17.740  244.912   38.051 -27.97835 41.98320 
1 1 1   26   22   10 o   72.075   21.480   73.210   41.566   78.379   42.587 -30.6443  190.902   74.373   21.631   81.058   37.907 -6.684975 43.64496 
1 1 1   26   22   11 o   99.891   39.417  160.458  145.034  160.458  145.034   0.0000   0.0000   99.891   39.417  ?   ?  0.000000 39.41692 
1 1 1   26   22   12 o   74.459   32.299   35.788  111.212  147.751  143.042 -135.3235  176.833   97.527   38.935   70.470   33.937 27.05615 51.64950 
1 1 1   26   22   13 f  146.440   16.908  287.633   60.694  278.035   64.151  369.549  187.413  143.077   18.380  136.329   46.204 6.748886 49.72571 
1 1 1   26   22   14 o  108.085   19.609  161.981   50.977  158.169   53.314  202.614  174.076  106.113   20.863  107.244   42.904 -1.131104 47.70750 
1 1 1   26   22   15 o  185.855   16.590  460.808   76.188  449.862   83.084  518.647  190.992  182.214   18.517  165.866   44.978 16.34753 48.64009 
1 1 1   26   22   16 o   97.903   20.981  135.561   49.752  136.232   52.137  128.725  166.418   97.669   21.915   95.306   40.382 2.363663 45.94508 
1 1 1   26   22   17 o   88.599   22.032  112.798   48.539  134.260   50.854 -106.9808  162.737   97.062   21.543   69.268   33.147 27.79434 39.53307 
1 1 1   26   22   18 o  169.677   17.155  387.430   71.689  392.941   78.109  357.980  180.566  169.737   18.740  133.352   45.352 36.38574 49.07107 
1 1 1   26   22   19 o   70.019   22.809   68.970   45.768   56.875   47.663  212.050  163.933   65.473   23.239  107.169   42.028 -41.69604 48.02472 
1 1 1   26   22   20 o  120.470   20.739  204.381   60.139  199.511   64.043  240.714  174.927  117.790   22.595  110.860   43.431 6.930115 48.95689 
1 1 1   26   22   21 o  129.531   21.119  237.302   65.958  223.844   71.098  320.415  176.684  123.791   23.865  124.103   44.668 -0.3115921 50.64338 
1 1 1   26   22   22 o   99.484   23.321  145.846   56.928  138.926   60.711  196.247  163.840   95.990   25.058  102.309   41.377 -6.318794 48.37360 
1 1 1   26   22   23 o   64.893   16.485   58.589   26.765   62.419   51.725   57.188   31.279   67.414   24.179   63.792   18.534 3.622314 30.46470 
1 1 1   26   23    0 o  256.845   26.782  1005.96  169.253  1090.31  212.499  859.607  279.918  253.491   34.463  177.477   56.275 76.01398 65.98943 
1 1 1   26   23    1 f  168.770   16.582  386.782   68.982  403.948   72.353  215.344  228.653  172.103   17.060  101.357   45.051 70.74628 48.17256 
1 1 1   26   23    2 o   76.643   20.656   84.996   40.429   73.784   41.160  392.373  215.513   71.428   21.395  126.487   48.574 -55.05871 53.07721 
1 1 1   26   23    3 o  143.398   17.035  279.877   59.807  285.605   62.214  210.135  217.090  144.477   17.608  102.877   44.871 41.59998 48.20234 
1 1 1   26   23    4 o   84.518   20.200  102.173   42.053   93.959   42.934  296.190  208.658   80.645   21.083  115.108   46.646 -34.46311 51.18868 
1 1 1   26   23    5 o  120.114   19.578  201.457   56.701  190.700   58.896  337.757  209.653  115.818   21.143  122.052   47.621 -6.234718 52.10390 
1 1 1   26   23    6 o  129.582   48.855  385.749  215.511   0.0000   0.0000  385.749  215.511  ?   ?   129.582   48.855 0.000000 48.85501 
1 1 1   26   23    7 o  112.441   19.538  176.346   52.868  176.346   52.868   0.0000   0.0000  112.441   19.538  ?   ?  0.000000 19.53779 
1 1 1   26   23    8 o  181.749   16.932  444.301   75.964  468.231   80.828  263.234  222.333  186.083   17.603  112.343   47.086 73.73982 50.26913 
1 1 1   26   23    9 o  112.826   18.816  175.906   51.146  161.354   52.773  401.044  207.577  107.034   20.490  135.316   48.446 -28.28120 52.60128 
1 1 1   26   23   10 o   56.929   20.555   40.138   37.452   43.072   38.232 -29.6018  186.389   58.328   20.801   79.365   37.224 -21.03621 42.64156 
1 1 1   26   23   11 o  110.926   41.241  227.326  152.515  227.326  152.515   0.0000   0.0000  110.926   41.241  ?   ?  0.000000 41.24052 
1 1 1   26   23   12 o  153.387   34.890  386.815  130.626  499.838  166.814  207.649  210.027  168.159   40.259  106.338   45.224 61.82062 60.54724 
1 1 1   26   23   13 o   74.704   21.701   79.752   42.887   86.481   44.107 -36.8951  183.642   77.615   21.838   78.420   36.835 -0.8055573 42.82142 
1 1 1   26   23   14 o   59.876   20.904   46.642   38.451   40.853   39.335  171.158  182.429   57.690   21.029  101.018   42.511 -43.32734 47.42850 
1 1 1   26   23   15 o  162.565   17.147  356.323   68.561  358.763   73.224  338.979  195.242  162.243   18.399  126.583   46.740 35.65956 50.23104 
1 1 1   26   23   16 o   50.643   20.230   22.666   38.639   19.747   39.643   78.120  172.800   50.060   20.316   88.084   39.157 -38.02316 44.11330 
1 1 1   26   23   17 o   93.688   20.919  125.221   47.704  118.118   49.673  209.505  171.107   90.307   22.186  105.995   42.489 -15.68866 47.93317 
1 1 1   26   23   18 o  161.373   17.277  352.578   68.542  354.880   73.840  338.240  184.270  160.835   18.736  126.757   45.618 34.07718 49.31536 
1 1 1   26   23   19 o  174.942   16.955  413.324   73.141  400.674   79.218  486.417  190.418  170.701   18.901  154.069   45.989 16.63159 49.72184 
1 1 1   26   23   20 o   57.716   21.975   38.719   43.874   36.211   45.432   73.422  169.012   57.274   22.218   85.737   38.376 -28.46276 44.34340 
1 1 1   26   23   21 o   61.037   22.931   46.134   47.397   39.801   49.316  122.795  171.577   59.377   23.116   91.341   39.864 -31.96376 46.08119 
1 1 1   26   23   22 f  124.955   21.741  224.773   65.375  218.961   70.295  261.981  177.871  121.574   24.006  110.693   43.660 10.88085 49.82512 
1 1 1   26   24    0 o  123.886   40.959  328.931  147.378  328.931  147.378   0.0000   0.0000  123.886   40.959  ?   ?  0.000000 40.95868 
1 1 1   26   24    1 o  121.437   17.985  206.334   52.891  197.010   54.258  384.345  237.080  117.848   19.090  115.568   48.540 2.280411 52.15860 
1 1 1   26   24    2 o  117.284   17.963  191.982   50.933  182.467   52.257  372.737  227.760  113.531   19.111  117.097   48.242 -3.565559 51.88956 
1 1 1   26   24    3 o  130.912   17.650  237.007   56.229  228.153   58.005  374.954  228.960  127.641   18.757  118.679   48.570 8.962593 52.06586 
1 1 1   26   24    4 o   78.175   20.833   89.032   41.406   87.994   42.236  114.660  209.862   77.578   21.199   90.888   41.510 -13.31063 46.60937 
1 1 1   26   24    5 o  179.693   19.671  451.063   86.827  440.697   93.433  516.688  235.088  175.577   21.777  141.212   51.420 34.36461 55.84197 
1 1 1   26   24    6 o  155.049   19.269  334.522   72.996  340.565   77.291  284.634  222.077  155.536   20.391  110.845   46.789 44.69132 51.03945 
1 1 1   26   24    7 o  122.574   18.213  207.669   54.052  193.319   55.819  423.648  216.548  117.217   19.773  132.553   49.169 -15.33592 52.99577 
1 1 1   26   24    8 o   47.755   18.964   20.664   33.768   18.289   34.269  100.129  198.250   47.097   18.967   90.819   41.028 -43.72131 45.19979 
1 1 1   26   24    9 o  101.497   19.185  144.515   46.843  125.163   48.067  510.035  208.900   93.250   21.131  151.605   48.673 -58.35444 53.06192 
1 1 1   26   24   10 o  183.319   16.450  452.062   74.504  451.083   78.855  460.206  227.452  182.238   17.544  138.031   50.530 44.20689 53.48936 
1 1 1   26   24   11 o   95.590   20.216  129.804   46.750  115.588   47.962  400.582  209.317   89.323   21.713  132.186   48.461 -42.86314 53.10345 
1 1 1   26   24   12 o  145.556   42.440  408.030  163.755  408.030  163.755   0.0000   0.0000  145.556   42.440  ?   ?  0.000000 42.44039 
1 1 1   26   24   13 o   66.895   21.231   62.953   39.835   66.679   40.660 -26.1098  198.804   68.584   21.407   80.273   37.896 -11.68923 43.52386 
1 1 1   26   24   14 o   30.851   14.619 -32.1728   30.111 -37.5165   30.507  169.249  187.299   30.116   14.395   99.046   42.428 -68.93082 44.80375 
1 1 1   26   24   15 o   44.554   18.663   9.8022   34.895   5.6045   35.540  122.238  183.933   43.570   18.568   92.930   40.896 -49.36077 44.91417 
1 1 1   26   24   16 o   90.319   20.933  117.250   46.290  113.461   47.834  173.118  183.669   88.378   21.808   99.123   42.226 -10.74513 47.52492 
1 1 1   26   24   17 o  122.290   19.359  208.755   57.150  212.874   59.947  167.666  189.338  122.939   20.230   98.205   42.371 24.73356 46.95270 
1 1 1   26   24   18 o  161.062   17.245  352.908   68.280  342.249   72.924  428.692  194.451  157.293   18.947  139.133   47.064 18.16020 50.73487 
1 1 1   26   24   19 o   60.060   21.980   46.109   43.032   40.361   44.330  139.972  179.129   58.247   22.110   93.556   40.784 -35.30953 46.39151 
1 1 1   26   24   20 o   45.168   19.663   1.5430   41.511   3.1645   42.751 -25.2094  173.648   46.171   20.027   75.445   35.555 -29.27343 40.80749 
1 1 1   26   24   21 o  112.364   22.383  184.694   60.598  195.144   64.368  103.247  179.699  114.946   23.224   88.131   39.500 26.81499 45.82156 
1 1 1   26   25    0 o   61.722   29.223 -34.9469  119.821 -34.9469  119.821   0.0000   0.0000   61.722   29.223  ?   ?  0.000000 29.22338 
1 1 1   26   25    1 o   91.406   37.443  169.435  136.235  169.435  136.235   0.0000   0.0000   91.406   37.443  ?   ?  0.000000 37.44338 
1 1 1   26   25    2 o   76.752   21.034   87.968   41.511   84.698   42.189  187.160  232.374   75.152   21.433   92.770   42.846 -17.61850 47.90730 
1 1 1   26   25    3 o  172.395   15.722  404.540   66.939  384.508   69.432  668.606  252.089  167.013   16.880  149.807   53.415 17.20584 56.01822 
1 1 1   26   25    4 o  140.262   19.846  280.461   67.571  281.625   70.454  267.110  238.623  139.711   20.831  102.252   45.696 37.45895 50.21963 
1 1 1   26   25    5 o   95.316   20.269  131.690   46.759  120.987   47.776  374.936  227.766   90.528   21.461  116.718   48.182 -26.18937 52.74491 
1 1 1   26   25    6 o   95.251   21.490  133.238   49.899  135.765   51.183   84.753  224.173   95.937   21.853   87.782   41.060 8.154877 46.51350 
1 1 1   26   25    7 o   73.538   21.657   79.422   42.453   74.573   43.263  205.368  220.493   71.351   22.050   99.218   44.162 -27.86652 49.36112 
1 1 1   26   25    8 o  149.755   16.749  306.013   61.563  294.058   63.924  458.930  228.621  145.903   17.922  131.770   50.165 14.13333 53.27016 
1 1 1   26   25    9 o   53.013   19.911   33.029   35.731   36.863   36.298 -86.6681  202.814   54.716   20.162   74.602   36.031 -19.88563 41.28897 
1 1 1   26   25   10 o   86.913   20.329  108.955   43.336   99.839   44.168  344.129  224.335   82.683   21.270  117.159   48.027 -34.47585 52.52608 
1 1 1   26   25   11 o   54.567   20.245   36.046   36.717   36.987   37.269   5.0064  214.033   55.088   20.405   82.666   39.116 -27.57793 44.11803 
1 1 1   26   25   12 o   64.357   21.964   57.473   42.355   57.473   42.355   0.0000   0.0000   64.357   21.964  ?   ?  0.000000 21.96445 
1 1 1   26   25   13 o   85.948   35.452  110.757  123.180  159.916  148.589   2.7418  220.256   95.221   39.066   83.307   39.495 11.91338 55.55188 
1 1 1   26   25   14 o   59.822   21.080   47.535   39.153   48.414   39.875   23.924  206.599   60.306   21.271   83.561   39.192 -23.25493 44.59200 
1 1 1   26   25   15 o  134.326   17.748  248.385   58.077  226.324   60.361  523.513  213.161  126.832   19.697  149.479   49.251 -22.64625 53.04362 
1 1 1   26   25   16 o   87.906   21.648  113.093   47.207  118.678   48.625   21.517  196.910   89.973   21.858   82.150   38.444 7.822830 44.22353 
1 1 1   26   25   17 o   81.346   22.134   97.622   46.162   84.139   47.521  323.158  194.363   75.442   23.076  117.868   45.890 -42.42596 51.36536 
1 1 1   26   25   18 o   56.776   21.339   39.162   41.050   29.369   42.073  233.203  187.275   53.592   21.204  104.436   43.447 -50.84419 48.34501 
1 1 1   26   25   19 o  137.190   18.307  261.562   61.153  259.947   64.312  276.806  197.559  135.856   19.517  109.297   44.968 26.55901 49.02054 
1 1 1   26   25   20 o   57.018   21.831   38.625   43.453   39.411   44.684   24.939  186.434   57.593   22.118   80.099   37.460 -22.50582 43.50206 
1 1 1   26   26    0 o   63.394   29.865  -7.0941  122.309  -7.0941  122.309   0.0000   0.0000   63.394   29.865  ?   ?  0.000000 29.86519 
1 1 1   26   26    1 o   57.476   27.788 -75.9962  121.391 -75.9962  121.391   0.0000   0.0000   57.476   27.788  ?   ?  0.000000 27.78762 
1 1 1   26   26    2 o   72.358   32.663   56.036  125.374   56.036  125.374   0.0000   0.0000   72.358   32.663  ?   ?  0.000000 32.66293 
1 1 1   26   26    3 o  126.237   18.096  226.536   55.414  224.721   56.824  261.751  250.284  125.184   18.755   95.481   44.227 29.70338 48.03927 
1 1 1   26   26    4 o  158.568   16.972  349.835   66.161  366.271   68.555  126.766  252.557  162.053   17.204   87.081   41.568 74.97136 44.98714 
1 1 1   26   26    5 o  142.017   17.992  283.642   62.376  283.642   62.376   0.0000   0.0000  142.017   17.992  ?   ?  0.000000 17.99205 
1 1 1   26   26    6 o   53.330   19.861   35.412   35.401   32.760   35.836  142.599  227.828   52.380   19.880   89.517   41.713 -37.13704 46.20778 
1 1 1   26   26    7 o   89.252   21.509  118.643   47.374  114.373   48.466  210.254  224.470   87.154   22.205   96.187   43.536 -9.032509 48.87196 
1 1 1   26   26    8 f   96.231   19.598  133.542   45.495  120.259   46.378  472.182  234.173   90.349   20.962  127.021   50.098 -36.67200 54.30619 
1 1 1   26   26    9 o   52.906   19.696   34.190   34.810   28.666   35.243  254.983  222.813   50.826   19.610  102.128   44.976 -51.30237 49.06509 
1 1 1   26   26   10 o   49.360   19.256   25.575   34.274   25.475   34.712   29.468  216.299   49.473   19.357   82.357   39.072 -32.88445 43.60346 
1 1 1   26   26   11 o   46.098   18.783   16.842   34.053   17.801   34.465 -22.5324  220.883   46.606   18.932   79.450   38.177 -32.84447 42.61384 
1 1 1   26   26   12 o   80.401   21.553   95.680   44.158  104.589   44.999 -135.7467  229.353   84.183   21.369   74.027   36.313 10.15567 42.13395 
1 1 1   26   26   13 o   78.166   35.273   52.921  146.073   52.921  146.073   0.0000   0.0000   78.166   35.273  ?   ?  0.000000 35.27304 
1 1 1   26   26   14 o  133.230   18.469  248.113   59.794  240.469   61.919  353.802  230.235  130.260   19.646  114.612   47.968 15.64760 51.83541 
1 1 1   26   26   15 o  167.285   17.038  383.740   70.180  370.293   73.446  524.944  238.006  163.179   18.342  137.063   51.407 26.11610 54.58159 
1 1 1   26   26   16 o   78.801   21.726   92.087   44.131   84.623   45.135  254.355  210.451   75.398   22.364  103.890   44.748 -28.49187 50.02486 
1 1 1   26   26   17 o   84.226   21.461  104.951   45.267   95.190   46.393  298.896  206.792   79.759   22.381  109.533   45.618 -29.77454 50.81279 
1 1 1   26   26   18 f   79.609   22.258   94.870   45.972   99.983   47.245   3.7922  199.393   81.604   22.471   78.879   37.448 2.725815 43.67255 
1 1 1   26   26   19 o   54.797   21.156   34.831   41.041   46.367   42.025 -202.9758  190.797   59.294   21.718   64.683   31.994 -5.388866 38.66879 
1 1 1   26   27    3 o   90.249   37.355  189.034  137.434  189.034  137.434   0.0000   0.0000   90.249   37.355  ?   ?  0.000000 37.35490 
1 1 1   26   27    4 o  137.473   17.965  270.329   60.197  270.329   60.197   0.0000   0.0000  137.473   17.965  ?   ?  0.000000 17.96479 
1 1 1   26   27    5 o  172.841   16.041  414.068   68.447  421.079   70.933  319.279  260.826  173.765   16.547   97.180   45.062 76.58485 48.00355 
1 1 1   26   27    6 o   47.728   18.908   23.645   33.495   29.754   33.846 -266.1516  233.098   50.203   19.257   65.255   32.750 -15.05152 37.99187 
1 1 1   26   27    7 o   67.061   21.126   67.157   39.498   70.270   40.065 -40.5573  235.688   68.432   21.232   75.796   37.104 -7.363838 42.74900 
1 1 1   26   27    8 o   85.768   22.077  112.119   47.562  119.846   48.515 -78.8589  241.197   88.802   21.993   74.856   36.823 13.94626 42.89105 
1 1 1   26   27    9 o  157.148   16.950  343.078   65.463  328.132   67.768  551.609  253.129  152.571   18.143  127.676   51.503 24.89429 54.60519 
1 1 1   26   27   10 o   54.491   20.041   38.265   35.837   36.994   36.270   90.650  232.849   54.072   20.110   85.008   40.390 -30.93681 45.11930 
1 1 1   26   27   11 o   37.031   16.505  -6.1758   30.912  -8.9316   31.184  149.836  234.630   36.451   16.387   89.767   41.995 -53.31614 45.07888 
1 1 1   26   27   12 o   86.675   20.363  110.671   43.327  102.930   44.078  332.150  235.764   83.037   21.187  106.776   46.661 -23.73901 51.24604 
1 1 1   26   27   13 o   91.278   21.696  124.653   48.727  124.653   48.727   0.0000   0.0000   91.278   21.696  ?   ?  0.000000 21.69629 
1 1 1   26   27   14 o  207.120   41.057  843.624  204.850  843.624  204.850   0.0000   0.0000  207.120   41.057  ?   ?  0.000000 41.05714 
1 1 1   26   27   15 o  160.025   16.638  352.769   65.517  322.273   67.887  766.734  250.122  151.435   18.325  166.221   53.248 -14.78503 56.31298 
1 1 1   26   27   16 o   61.192   21.088   52.732   39.067   50.156   39.661  136.821  226.586   60.176   21.215   89.123   41.552 -28.94771 46.65500 
1 1 1   26   27   17 o  129.996   18.728  239.624   59.040  243.815   61.230  184.152  222.771  130.633   19.355   92.872   42.547 37.76112 46.74293 
1 1 1   26   28    8 o  132.348   18.099  251.277   58.248  256.070   59.681  155.026  267.445  133.324   18.418   84.860   41.080 48.46318 45.01944 
1 1 1   26   28    9 o   92.106   22.023  130.685   49.970  121.480   50.945  364.214  256.609   87.972   22.950  100.514   45.904 -12.54243 51.32100 
1 1 1   26   28   10 o  112.608   19.012  184.076   51.559  183.645   52.648  194.175  254.826  112.060   19.524   88.704   42.177 23.35541 46.47683 
1 1 1   26   28   11 o  124.120   17.939  219.395   53.989  213.796   55.217  341.017  257.367  121.841   18.749  100.132   45.821 21.70943 49.50863 
1 1 1   26   28   12 o  138.112   17.939  270.658   60.410  285.307   62.276   37.191  248.615  141.786   17.994   80.108   38.971 61.67802 42.92478 
1 1 1   26   28   13 o   87.376   21.382  115.697   46.274  106.581   47.065  380.253  253.532   83.217   22.228  105.032   47.008 -21.81582 51.99815 
1 1 1   27   -5    0 o  101.011   22.450  143.379   55.160  213.519  214.807  138.428   57.074  114.081   46.907   98.766   23.485 15.31485 52.45775 
1 1 1   27   -5    1 o   92.287   22.503  120.344   51.393  167.726  215.082  117.475   52.926  107.580   45.758   90.912   23.228 16.66849 51.31633 
1 1 1   27   -5    2 o  102.371   23.260  148.905   58.109   0.0000   0.0000  148.905   58.109  ?   ?   102.371   23.260 0.000000 23.25977 
1 1 1   27   -4    0 o   97.028   22.433  131.950   53.269  336.277  207.578  117.546   55.114  134.810   48.427   91.027   23.930 43.78318 54.01708 
1 1 1   27   -4    1 o  103.963   21.701  150.374   54.519 -103.9094  209.012  168.938   56.475   81.283   38.517  110.577   21.224 -29.29330 43.97761 
1 1 1   27   -4    2 o  168.343   18.714  379.574   77.341  667.390  229.025  342.528   82.168  192.334   47.873  158.267   21.334 34.06686 52.41147 
1 1 1   27   -4    3 f  104.057   22.178  151.856   55.867  202.259  218.064  148.315   57.796  112.159   46.790  102.351   23.154 9.808884 52.20561 
1 1 1   27   -4    4 o  160.176   19.088  346.173   74.848  598.828  231.332  316.632   79.102  175.948   50.190  151.647   21.490 24.30057 54.59679 
1 1 1   27   -4    5 o   61.720   22.303   46.843   44.106 -111.3383  227.820   53.002   44.956   82.328   39.349   64.265   22.594 18.06318 45.37428 
1 1 1   27   -4    6 o   57.359   21.831   35.906   43.292 -94.2181  218.131   41.241   44.171   81.454   38.812   59.534   22.182 21.91973 44.70364 
1 1 1   27   -4    7 o   53.263   21.053   26.263   41.443 -27.8569  229.938   28.080   42.132   87.219   41.046   54.126   21.281 33.09217 46.23501 
1 1 1   27   -3    0 o  176.553   17.583  412.095   76.488  1030.18  227.087  333.001   81.235  260.371   35.879  156.514   21.341 103.8574 41.74598 
1 1 1   27   -3    1 o   86.460   21.953  104.425   47.484  170.002  198.803  100.458   48.899  109.007   45.008   84.648   22.677 24.35928 50.39747 
1 1 1   27   -3    2 o   47.344   19.426   13.222   36.747   9.1761  196.019   13.370   37.410   89.158   40.485   47.711   19.592 41.44699 44.97665 
1 1 1   27   -3    3 o  131.547   19.761  234.646   62.907  308.508  217.005  227.870   65.730  128.953   48.926  128.879   21.158 0.7386780E-01 53.30502 
1 1 1   27   -3    4 o  145.182   20.022  286.032   70.656  274.046  219.943  287.411   74.611  122.786   48.512  144.824   21.264 -22.03793 52.96764 
1 1 1   27   -3    5 o  146.402   19.799  290.915   70.526  567.379  232.658  262.941   74.008  170.547   50.818  137.654   22.292 32.89304 55.49265 
1 1 1   27   -3    6 o   82.119   22.842   95.672   48.547  220.993  217.148   89.079   49.808  113.567   46.976   79.309   23.486 34.25791 52.52022 
1 1 1   27   -3    7 f  180.963   19.149  442.539   85.218  682.692  249.023  410.685   90.693  184.158   51.914  172.604   21.508 11.55406 56.19341 
1 1 1   27   -3    8 o  142.998   19.886  280.228   69.088  684.456  245.932  245.593   71.987  183.411   51.552  132.049   22.646 51.36160 56.30659 
1 1 1   27   -3    9 o  109.997   22.257  171.890   59.037  102.113  236.266  176.537   60.971   98.106   44.510  111.243   22.716 -13.13661 49.97145 
1 1 1   27   -3   10 o   72.264   23.957   73.451   50.408  308.769  236.069   62.209   51.598  119.304   49.128   68.190   24.181 51.11378 54.75711 
1 1 1   27   -3   11 o  155.996   21.857  343.477   82.807   0.0000   0.0000  343.477   82.807  ?   ?   155.996   21.857 0.000000 21.85695 
1 1 1   27   -2    0 o   73.918   21.805   74.972   43.003  166.102  195.557   70.341   44.082  109.286   44.825   71.946   22.262 37.33949 50.04877 
1 1 1   27   -2    1 o  246.067   18.153  799.135  110.760  1265.19  248.183  683.227  123.769  290.563   34.903  224.314   22.395 66.24924 41.46954 
1 1 1   27   -2    2 o  173.896   18.119  401.161   77.525  755.508  222.566  352.232   82.705  214.458   43.055  161.220   21.045 53.23753 47.92321 
1 1 1   27   -2    3 o  195.515   18.661  508.508   90.003  650.284  229.592  482.765   97.833  191.427   48.091  188.884   21.102 2.543030 52.51687 
1 1 1   27   -2    4 o   87.331   21.911  106.711   47.703  260.725  209.102   98.255   48.995  122.189   47.591   83.623   22.824 38.56628 52.78119 
1 1 1   27   -2    5 o  219.728   18.465  642.409  100.378  1086.45  254.062  560.274  109.268  259.376   40.552  202.579   21.951 56.79790 46.11231 
1 1 1   27   -2    6 o  196.535   18.736  516.585   90.840  866.450  245.457  461.063   97.782  223.770   45.476  183.511   21.762 40.25917 50.41504 
1 1 1   27   -2    7 o  192.363   18.399  494.953   87.303  1057.59  251.294  417.723   93.102  252.985   41.195  174.250   21.879 78.73502 46.64458 
1 1 1   27   -2    8 o   73.824   22.836   76.119   46.388   81.246  219.148   75.878   47.464   96.990   43.535   73.760   23.146 23.22987 49.30574 
1 1 1   27   -2    9 o   73.114   22.823   74.836   46.218   99.069  220.995   73.727   47.263   98.059   43.887   72.698   23.132 25.36037 49.61023 
1 1 1   27   -2   10 o   83.285   23.227   99.911   50.128   70.986  223.515  101.443   51.439   94.570   43.054   83.805   23.584 10.76578 49.09043 
1 1 1   27   -2   11 o  194.038   19.334  513.758   92.437  902.616  265.390  460.070   98.612  211.544   50.864  181.102   22.274 30.44196 55.52730 
1 1 1   27   -2   12 o  137.566   20.895  265.061   69.524  556.904  260.462  242.672   72.141  149.586   54.177  130.046   23.059 19.53944 58.88002 
1 1 1   27   -2   13 o   39.877   18.098 -16.0158   39.104   83.686  248.430 -18.5488   39.598   93.698   43.626   39.595   18.063 54.10320 47.21796 
1 1 1   27   -1    0 o   67.682   21.274   61.251   40.078  114.238  179.377   58.467   41.117  100.894   42.291   66.579   21.616 34.31512 47.49496 
1 1 1   27   -1    1 o  259.713   17.953  887.323  115.721  1418.99  247.860  739.127  130.859  312.250   32.252  233.384   22.742 78.86575 39.46391 
1 1 1   27   -1    2 o  255.264   19.002  863.244  120.256  1048.28  251.198  808.229  136.972  258.027   40.303  243.970   22.745 14.05672 46.27811 
1 1 1   27   -1    3 o  235.233   18.814  733.582  109.590  849.246  235.671  701.670  123.788  228.331   42.908  227.599   22.057 0.7316284 48.24510 
1 1 1   27   -1    4 o   58.366   21.133   39.978   39.625  273.546  195.742   29.998   40.463  125.565   46.713   54.821   21.048 70.74391 51.23639 
1 1 1   27   -1    5 o  277.754   19.018  1025.29  131.118  1446.97  271.164  896.614  149.794  308.052   35.925  255.408   23.758 52.64360 43.07017 
1 1 1   27   -1    6 o  237.640   18.959  752.527  111.571  954.259  249.258  701.981  124.768  239.793   43.215  226.772   22.322 13.02124 48.63971 
1 1 1   27   -1    7 o  136.426   19.688  252.340   65.133  402.835  221.385  238.079   68.149  143.711   50.161  131.487   21.498 12.22401 54.57346 
1 1 1   27   -1    8 o  170.326   18.815  389.614   78.689  662.318  233.508  354.679   83.577  188.521   49.110  160.864   21.332 27.65712 53.54303 
1 1 1   27   -1    9 o   46.583   19.393   10.634   37.347 -155.0311  200.982   16.559   38.009   75.089   36.166   48.815   19.862 26.27354 41.26094 
1 1 1   27   -1   10 o   52.912   20.766   26.371   40.048  244.452  224.286   19.189   40.702  115.332   47.727   50.748   20.589 64.58386 51.97845 
1 1 1   27   -1   11 o   88.276   22.860  111.951   50.793  295.750  230.676  102.586   52.071  120.544   48.975   84.278   23.733 36.26646 54.42261 
1 1 1   27   -1   12 o  117.329   21.218  193.383   59.880  491.186  243.254  174.174   61.781  146.299   52.438  110.047   23.212 36.25123 57.34532 
1 1 1   27   -1   13 o   92.898   23.736  126.507   55.265  173.292  243.246  123.960   56.749  103.072   46.093   91.645   24.374 11.42623 52.14108 
1 1 1   27   -1   14 o  157.012   19.899  342.423   76.270  828.033  270.021  300.320   79.508  189.079   54.317  144.778   22.741 44.30046 58.88516 
1 1 1   27    0    0 o  119.679   19.099  192.254   55.161  298.601  184.388  181.800   57.809  132.857   45.811  115.599   20.790 17.25867 50.30816 
1 1 1   27    0    1 o  105.715   20.508  152.452   52.186   94.859  183.248  157.535   54.440   98.927   42.161  107.272   21.075 -8.345329 47.13468 
1 1 1   27    0    2 o  196.031   18.412  508.053   89.076  515.275  206.692  506.405   98.713  172.991   46.740  194.345   20.657 -21.35445 51.10083 
1 1 1   27    0    3 o  162.315   18.589  350.125   73.988  360.828  209.738  348.604   79.071  141.587   48.857  161.166   20.083 -19.57843 52.82347 
1 1 1   27    0    4 o  155.247   19.101  321.996   72.490  204.925  200.485  339.603   77.750  115.185   46.056  158.986   20.028 -43.80083 50.22268 
1 1 1   27    0    5 o  297.911   19.628  1180.78  145.205  1430.22  275.360  1084.70  170.898  306.042   36.766  280.612   24.638 25.43027 44.25797 
1 1 1   27    0    6 o  215.160   18.674  614.991   99.337  756.680  232.051  583.200  109.918  211.254   45.344  207.477   21.529 3.777145 50.19483 
1 1 1   27    0    7 o  167.906   18.472  376.035   76.170  541.761  211.398  351.309   81.655  173.876   47.390  160.887   20.812 12.98900 51.75884 
1 1 1   27    0    8 o  170.635   18.539  389.148   77.726  670.178  225.457  351.242   82.802  194.407   46.967  160.455   21.183 33.95262 51.52274 
1 1 1   27    0    9 o  117.400   21.017  190.257   59.354  177.437  211.580  191.352   61.837  108.724   45.770  117.274   21.921 -8.549881 50.74859 
1 1 1   27    0   10 o  120.932   20.504  201.347   59.709  311.945  220.147  192.566   62.034  126.655   48.970  117.437   21.961 9.218185 53.66899 
1 1 1   27    0   11 o   58.640   21.531   40.726   41.342 -87.6160  208.831   45.961   42.176   80.721   38.323   60.882   21.833 19.83968 44.10627 
1 1 1   27    0   12 o   61.122   21.883   46.854   42.352  266.258  220.457   38.446   43.156  117.139   47.767   58.140   21.874 58.99899 52.53727 
1 1 1   27    0   13 o  174.542   19.695  417.099   84.343  414.790  241.067  417.421   90.033  134.953   51.480  173.413   21.234 -38.46010 55.68741 
1 1 1   27    0   14 o  160.039   19.866  353.447   77.685  533.467  262.256  336.132   81.335  146.376   54.147  154.699   21.647 -8.322952 58.31349 
1 1 1   27    0   15 o  122.813   21.969  215.454   64.903  193.932  261.664  216.864   66.996  103.679   46.959  122.718   22.698 -19.03934 52.15681 
1 1 1   27    1    0 o  185.077   18.043  451.180   82.329  447.507  193.950  451.988   90.928  162.805   45.788  184.115   20.104 -21.30981 50.00688 
1 1 1   27    1    1 o   77.009   21.098   81.419   41.771  136.563  171.627   77.947   43.066  103.982   42.245   75.433   21.699 28.54938 47.49192 
1 1 1   27    1    2 o  171.914   18.114  390.371   76.592  414.359  192.598  385.865   83.477  155.469   46.217  169.881   20.065 -14.41237 50.38419 
1 1 1   27    1    3 o   65.905   20.545   57.910   37.466   35.149  177.461   58.972   38.330   90.485   39.978   66.489   20.790 23.99560 45.06070 
1 1 1   27    1    4 o  120.318   17.661  192.697   51.484   56.812  183.949  204.247   53.627   93.892   41.118  123.850   17.856 -29.95812 44.82790 
1 1 1   27    1    5 o  270.384   15.123  947.869  101.702  1369.35  253.576  867.073  111.022  304.118   33.970  257.037   17.399 47.08099 38.16691 
1 1 1   27    1    6 f  234.339   15.855  715.923   92.233  1026.02  240.626  662.516   99.860  256.725   38.739  224.032   18.002 32.69281 42.71752 
1 1 1   27    1    7 o  208.453   18.982  578.345   97.727  506.003  217.895  596.562  109.342  166.355   49.085  210.226   21.113 -43.87061 53.43359 
1 1 1   27    1    8 o  131.460   19.333  233.223   61.569  343.881  202.099  221.902   64.642  136.880   47.918  127.313   21.070 9.567650 52.34525 
1 1 1   27    1    9 o  140.553   19.521  266.975   66.668  242.308  210.849  269.715   70.273  118.702   47.308  140.693   20.613 -21.99137 51.60381 
1 1 1   27    1   10 o  149.230   19.358  300.820   70.438  375.791  221.560  292.391   74.292  138.333   49.988  146.181   20.951 -7.848587 54.20098 
1 1 1   27    1   11 o  127.722   20.058  223.217   61.865  271.221  218.927  219.051   64.494  120.749   48.180  125.836   21.283 -5.086861 52.67144 
1 1 1   27    1   12 f   45.146   18.973   7.9789   36.256 -179.9255  203.223   14.156   36.847   73.556   35.656   47.426   19.455 26.12977 40.61869 
1 1 1   27    1   13 o  102.714   21.528  148.770   53.453  408.938  227.364  133.549   54.994  138.268   50.535   96.426   23.135 41.84184 55.57895 
1 1 1   27    1   14 o   75.244   22.910   80.679   46.911   38.057  233.202   82.476   47.890   91.958   42.629   75.985   23.150 15.97287 48.50933 
1 1 1   27    1   15 o  113.784   21.410  183.321   58.602  352.491  245.810  173.126   60.342  123.378   50.390  109.673   22.778 13.70463 55.29855 
1 1 1   27    1   16 o   91.077   23.748  122.534   54.569 -225.4505  247.976  140.243   55.941   75.288   37.094   97.830   23.242 -22.54227 43.77409 
1 1 1   27    2    0 o  112.047   14.509  163.791   39.644  154.045   64.597  169.680   50.212  104.677   25.047  112.646   18.492 -7.968826 31.13367 
1 1 1   27    2    1 o   65.486   18.444   57.754   31.446   16.899   54.472   78.175   38.512   56.483   23.459   75.644   20.060 -19.16080 30.86670 
1 1 1   27    2    2 o   50.118   18.033   28.489   28.793   32.815   52.273   26.604   34.498   60.161   23.688   51.482   19.514 8.678192 30.69041 
1 1 1   27    2    3 o  102.093   15.517  137.396   38.315   86.326   62.217  168.597   48.630   79.908   26.622  112.405   17.927 -32.49716 32.09504 
1 1 1   27    2    4 f  165.904   12.965  354.194   53.288  327.842   82.643  372.947   69.716  155.419   21.901  168.616   16.780 -13.19766 27.59022 
1 1 1   27    2    5 o  293.414   13.117  1102.91   96.107  1069.30  142.691  1130.81  130.023  283.352   20.301  293.510   17.824 -10.15839 27.01498 
1 1 1   27    2    6 o  105.939   15.503  148.011   39.800  119.764   66.346  163.891   49.744   91.596   27.102  110.330   18.724 -18.73378 32.94111 
1 1 1   27    2    7 f  140.507   13.913  256.286   48.175  192.594   76.246  298.607   62.152  115.785   26.886  150.502   16.825 -34.71677 31.71660 
1 1 1   27    2    8 o  261.345   13.043  876.456   85.125  898.596  127.660  858.731  114.226  259.449   19.855  255.027   18.053 4.421951 26.83484 
1 1 1   27    2    9 o   52.821   18.700   33.224   30.844 -23.6239   54.215   60.430   37.506   46.878   21.289   66.837   20.510 -19.95821 29.56145 
1 1 1   27    2   10 f   41.148   17.144   6.9193   29.223 -29.4356   54.327   21.721   34.665   45.790   20.990   49.351   19.334 -3.560833 28.53734 
1 1 1   27    2   11 o   96.825   16.425  125.661   38.295  117.028   64.092  130.454   47.757   89.862   26.649   97.092   20.348 -7.230072 33.52917 
1 1 1   27    2   12 o   41.438   17.956  -1.0244   34.302 -124.6887  208.991   2.3992   34.773   78.748   37.652   42.719   18.290 36.02917 41.85896 
1 1 1   27    2   13 o  129.976   17.391  226.833   55.030  258.107  226.518  224.871   56.730  117.446   48.216  129.037   18.104 -11.59113 51.50243 
1 1 1   27    2   14 o   63.754   22.010   53.328   42.569  230.492  224.490   46.720   43.356  112.398   47.222   61.289   22.118 51.10933 52.14537 
1 1 1   27    2   15 o   71.909   22.684   72.815   45.527  171.697  233.532   68.908   46.418  104.281   45.978   70.341   22.973 33.94074 51.39831 
1 1 1   27    2   16 o  168.412   19.347  389.310   79.887  768.252  262.484  350.626   83.865  185.623   53.620  157.838   21.865 27.78490 57.90667 
1 1 1   27    3    0 o  167.776   12.772  361.291   53.107  347.878   80.478  371.638   70.681  161.283   20.440  168.431   17.039 -7.147202 26.61104 
1 1 1   27    3    1 o   61.858   18.304   50.955   30.261   67.660   53.717   43.188   36.626   72.345   24.735   59.209   20.417 13.13553 32.07364 
1 1 1   27    3    2 o  199.260   12.687  508.859   62.800  495.774   94.391  519.252   84.119  193.141   19.853  199.248   17.071 -6.106445 26.18348 
1 1 1   27    3    3 o   64.560   18.095   56.089   30.345   29.865   52.340   69.367   37.243   59.306   23.591   71.424   20.056 -12.11798 30.96433 
1 1 1   27    3    4 o  310.945   13.185  1237.66  102.377  1114.63  150.310  1344.12  139.825  289.097   20.963  320.619   17.530 -31.52267 27.32701 
1 1 1   27    3    5 o  167.754   12.925  362.004   53.727  313.505   83.411  396.394   70.239  151.483   22.753  174.098   16.347 -22.61499 28.01677 
1 1 1   27    3    6 o  141.693   13.910  260.230   48.584  249.600   76.360  267.461   62.975  134.329   23.626  141.880   18.193 -7.550873 29.81963 
1 1 1   27    3    7 o  166.025   13.054  355.204   53.684  384.007   83.532  334.937   70.070  169.176   20.170  159.017   17.960 10.15843 27.00779 
1 1 1   27    3    8 o  300.128   13.568  1157.46  101.688  1190.74  151.950  1130.48  136.850  298.468   20.511  292.284   18.850 6.183899 27.85744 
1 1 1   27    3    9 o   75.768   18.102   78.301   33.782  116.511   58.372   59.058   41.423   90.525   24.998   66.702   21.698 23.82339 33.10146 
1 1 1   27    3   10 o   88.581   16.942  105.671   36.111   65.173   60.810  127.731   44.881   72.050   26.165   96.712   19.260 -24.66134 32.48956 
1 1 1   27    3   11 o   65.188   19.010   57.773   32.853   73.167   59.960   51.169   39.273   74.391   26.097   62.796   21.152 11.59453 33.59229 
1 1 1   27    3   12 o   45.502   17.867   17.843   29.662 -15.7228   55.252   31.433   35.157   48.735   21.869   53.302   19.804 -4.566479 29.50307 
1 1 1   27    3   13 o  119.605   14.856  188.587   43.415  168.097   71.791  200.400   54.512  106.935   26.907  121.653   18.530 -14.71769 32.66984 
1 1 1   27    3   14 o   55.161   19.237   37.910   32.557   42.115   60.012   36.156   38.756   64.160   25.343   56.131   20.805 8.029091 32.78902 
1 1 1   27    3   15 o   69.308   19.458   66.829   35.057   17.917   63.691   88.088   41.990   58.870   24.965   78.951   20.951 -20.08091 32.59123 
1 1 1   27    3   16 o   60.255   19.886   48.521   34.745   8.6545   64.444   64.858   41.255   56.844   24.622   68.278   21.599 -11.43415 32.75328 
1 1 1   27    3   17 o  132.133   18.787  239.897   60.245   0.0000   0.0000  239.897   60.245  ?   ?   132.133   18.787 0.000000 18.78717 
1 1 1   27    4    0 o  204.417   12.482  534.678   63.412  548.565   94.074  523.114   85.847  204.081   18.666  199.953   17.365 4.127686 25.49466 
1 1 1   27    4    1 o  125.241   13.947  203.333   42.879  185.519   66.531  215.990   56.079  115.706   23.820  127.594   18.108 -11.88776 29.92131 
1 1 1   27    4    2 o  307.056   13.435  1206.66  103.015  1081.71  149.180  1320.54  142.424  285.031   21.109  317.694   18.027 -32.66241 27.75877 
1 1 1   27    4    3 o  130.307   13.911  220.008   44.567  214.894   69.525  223.575   58.066  124.988   23.127  129.648   18.456 -4.660271 29.58858 
1 1 1   27    4    4 o  158.505   13.455  323.896   52.754  293.940   81.154  345.819   69.424  146.700   22.901  162.148   17.418 -15.44824 28.77254 
1 1 1   27    4    5 o  127.136   14.135  209.968   44.117  134.892   69.452  260.752   57.121   97.151   27.427  140.894   16.550 -43.74279 32.03340 
1 1 1   27    4    6 o  176.394   12.505  399.323   54.725  434.910   84.003  373.085   72.131  181.113   18.850  168.351   17.409 12.76141 25.65899 
1 1 1   27    4    7 o  227.168   12.799  662.219   72.308  579.104  107.656  730.532   97.600  207.669   21.050  236.479   16.633 -28.80928 26.82881 
1 1 1   27    4    8 o  174.626   12.725  392.186   55.110  325.451   84.686  441.205   72.580  154.193   22.670  183.775   15.974 -29.58170 27.73313 
1 1 1   27    4    9 o  179.676   12.460  414.848   55.563  428.480   86.070  405.108   72.754  179.017   19.572  175.539   16.802 3.477539 25.79508 
1 1 1   27    4   10 o   58.840   18.560   45.573   30.477   68.837   54.857   35.186   36.654   72.420   24.987   55.531   20.291 16.88838 32.18801 
1 1 1   27    4   11 o  103.718   15.592  142.512   39.135  107.162   64.044  163.577   49.439   86.682   26.835  109.999   18.666 -23.31660 32.68847 
1 1 1   27    4   12 o   83.344   17.778   94.599   35.873   55.014   61.859  114.657   44.034   68.924   26.129   91.158   19.902 -22.23423 32.84515 
1 1 1   27    4   13 o   39.707   16.729   4.5554   28.302   50.188   55.623 -11.3866   32.877   65.814   24.818   37.757   16.911 28.05710 30.03223 
1 1 1   27    4   14 o   57.315   18.882   42.816   31.333  103.743   58.942   18.818   36.992   84.837   25.646   49.139   19.736 35.69837 32.36093 
1 1 1   27    4   15 o   49.383   18.629   25.807   31.347   49.385   59.580   16.782   36.861   66.110   25.500   48.278   19.591 17.83276 32.15649 
1 1 1   27    4   16 o   90.067   17.994  111.486   39.055   92.323   68.322  120.787   47.598   80.419   27.877   92.454   21.084 -12.03506 34.95224 
1 1 1   27    4   17 o   44.936   18.206   14.624   31.778 -24.8232   64.577   27.229   36.504   50.473   23.042   51.642   19.948 -1.168354 30.47710 
1 1 1   27    4   18 o  154.547   13.751  314.101   52.516  330.480   88.308  305.139   65.323  151.106   24.221  149.822   17.809 1.284286 30.06322 
1 1 1   27    5    0 o  284.479   13.279  1034.67   94.331  1041.88  136.982  1028.18  130.094  281.014   19.644  279.835   18.725 1.178802 27.13845 
1 1 1   27    5    1 o   34.790   15.054  -1.9982   24.040 -32.7389   45.450   9.9426   28.327   40.896   18.909   41.980   17.121 -1.084419 25.50837 
1 1 1   27    5    2 o  168.955   12.949  366.601   54.218  289.365   80.658  430.269   73.231  145.687   22.928  181.693   16.314 -36.00653 28.13983 
1 1 1   27    5    3 o  133.300   13.314  229.392   43.727  206.697   68.194  245.238   56.983  122.564   23.129  136.477   17.095 -13.91283 28.76076 
1 1 1   27    5    4 o   77.109   17.273   80.161   32.435   36.033   55.263  103.351   40.061   62.160   24.394   87.282   18.925 -25.12266 30.87450 
1 1 1   27    5    5 o   73.310   17.131   72.534   30.797   71.651   51.893   73.014   38.264   73.497   24.305   73.167   20.253 0.3297119 31.63718 
1 1 1   27    5    6 o  212.085   12.293  575.764   64.824  581.888   96.808  570.786   87.280  209.916   18.662  208.924   16.873 0.9921417 25.15927 
1 1 1   27    5    7 o  296.450   13.260  1125.99   98.160  986.167  144.363  1246.22  133.869  271.201   21.492  308.595   17.443 -37.39462 27.68000 
1 1 1   27    5    8 f  167.496   12.615  360.635   52.376  353.511   80.481  365.869   68.984  162.236   20.310  166.915   16.777 -4.679291 26.34363 
1 1 1   27    5    9 o  166.480   12.841  356.868   52.972  331.574   81.496  375.372   69.705  156.330   21.441  169.026   16.734 -12.69617 27.19804 
1 1 1   27    5   10 o  114.284   14.008  170.436   39.141  224.513   64.774  139.334   49.124  128.359   20.929  100.871   20.206 27.48819 29.09147 
1 1 1   27    5   11 f   44.509   17.599   15.933   28.966  -9.5516   52.902   26.844   34.616   49.144   21.765   51.418   19.533 -2.273972 29.24450 
1 1 1   27    5   12 o   82.137   17.546   91.645   34.896   76.101   58.538  100.214   43.464   75.306   25.821   84.959   20.681 -9.653084 33.08223 
1 1 1   27    5   13 o  107.733   15.781  154.053   41.197   91.691   67.434  191.188   52.037   81.263   27.715  119.236   18.040 -37.97357 33.06895 
1 1 1   27    5   14 o   62.716   19.060   53.190   32.492   54.783   59.650   52.517   38.744   68.128   25.699   63.143   21.006 4.984776 33.19172 
1 1 1   27    5   15 o   86.903   17.743  103.182   37.201   61.097   65.168  123.526   45.309   70.947   26.837   94.397   19.851 -23.45000 33.38079 
1 1 1   27    5   16 o  178.464   14.082  416.182   62.249  349.931  106.317  450.742   76.787  153.319   28.827  184.011   16.900 -30.69226 33.41539 
1 1 1   27    5   17 o  148.650   23.935  315.225   85.834  315.225   85.834   0.0000   0.0000  148.650   23.935  ?   ?  0.000000 23.93550 
1 1 1   27    5   18 o  105.260   16.179  149.489   41.167  170.714   72.562  139.414   49.991  106.171   27.236   99.285   20.828 6.886322 34.28660 
1 1 1   27    6    0 o  149.515   12.741  287.205   47.118  232.650   71.087  329.955   62.926  130.525   22.630  159.070   16.061 -28.54477 27.75007 
1 1 1   27    6    1 f   93.552   15.263  115.358   34.426  115.528   56.355  115.257   43.483   90.958   24.334   92.160   19.503 -1.201447 31.18510 
1 1 1   27    6    2 o  123.879   13.734  198.755   41.771  116.722   63.727  260.548   55.309   91.101   26.451  141.209   15.965 -50.10779 30.89546 
1 1 1   27    6    3 o   66.569   18.069   59.759   30.807   3.4962   53.836   87.153   37.566   52.886   22.703   80.052   19.065 -27.16565 29.64642 
1 1 1   27    6    4 o  105.625   15.017  146.248   38.495   60.490   61.534  201.395   49.344   71.383   26.259  123.759   16.368 -52.37576 30.94302 
1 1 1   27    6    5 f  148.397   12.905  283.409   47.348  283.043   72.465  283.683   62.544  145.101   20.575  146.722   17.410 -1.620834 26.95272 
1 1 1   27    6    6 o  171.493   12.433  377.218   52.883  344.178   80.106  402.741   70.406  160.191   20.495  175.629   16.237 -15.43756 26.14747 
1 1 1   27    6    7 o  106.326   14.674  148.068   37.925  102.065   60.111  178.487   48.881   85.420   25.917  115.893   17.430 -30.47298 31.23252 
1 1 1   27    6    8 f  117.397   13.973  179.372   40.159  149.156   62.818  200.256   52.225  102.808   24.763  122.785   17.531 -19.97632 30.34020 
1 1 1   27    6    9 o  216.736   12.496  602.417   67.343  469.941  100.430  710.644   90.775  186.196   22.026  233.756   15.641 -47.56032 27.01486 
1 1 1   27    6   10 o   62.981   18.305   53.379   30.508   38.553   53.693   60.448   37.073   62.140   24.140   66.955   20.362 -4.814987 31.58091 
1 1 1   27    6   11 o   74.078   17.843   74.731   32.614   71.839   55.940   76.220   40.143   73.681   25.242   74.383   20.800 -0.7012787 32.70750 
1 1 1   27    6   12 o   59.741   18.559   47.351   30.601   35.217   54.898   52.820   36.859   61.330   24.235   63.244   20.460 -1.914249 31.71657 
1 1 1   27    6   13 o   70.310   18.645   67.754   33.272   37.510   58.324   82.344   40.510   62.927   24.944   77.040   20.641 -14.11241 32.37613 
1 1 1   27    6   14 o   95.397   16.380  121.988   37.616  115.240   64.070  125.537   46.467   89.242   26.685   95.296   20.156 -6.053551 33.44173 
1 1 1   27    6   15 o  106.144   15.379  149.557   39.576  141.515   67.740  153.725   48.765   98.162   26.856  106.027   19.121 -7.865089 32.96786 
1 1 1   27    6   16 o  114.839   18.094  178.746   50.172  423.152  226.207  166.101   51.453  142.801   50.632  109.975   19.447 32.82632 54.23837 
1 1 1   27    6   17 o   66.230   19.257   60.594   33.757   29.354   63.857   72.710   39.768   61.684   25.491   72.031   20.889 -10.34779 32.95711 
1 1 1   27    6   18 o   77.715   18.801   84.293   36.089   64.918   66.451   92.399   42.980   71.579   27.094   80.614   21.103 -9.034904 34.34315 
1 1 1   27    6   19 o  129.845   14.900  224.051   47.438  206.267   80.026  233.686   58.903  116.272   27.915  130.545   18.594 -14.27240 33.54062 
1 1 1   27    7    0 o  210.022   12.649  564.734   66.032  496.647   96.827  623.930   90.284  193.121   20.386  218.857   16.644 -25.73561 26.31768 
1 1 1   27    7    1 o  124.357   13.627  200.168   41.625  155.982   64.143  232.312   54.710  105.532   24.766  132.905   16.864 -27.37284 29.96212 
1 1 1   27    7    2 f  112.297   14.031  163.995   38.489  129.541   60.312  187.667   49.992   96.065   24.926  119.085   17.318 -23.01999 30.35216 
1 1 1   27    7    3 o   50.028   17.429   29.692   26.723   63.688   48.998   15.298   31.882   70.117   23.626   45.925   18.365 24.19181 29.92403 
1 1 1   27    7    4 o  137.934   13.142  245.306   44.719  226.238   67.933  259.888   59.405  128.927   21.883  140.446   17.304 -11.51889 27.89767 
1 1 1   27    7    5 f   75.274   16.631   76.164   30.429   56.095   50.481   87.617   38.136   67.485   23.920   80.176   19.283 -12.69047 30.72455 
1 1 1   27    7    6 o  129.719   12.998  217.168   41.537  186.888   64.350  238.795   54.383  116.354   22.962  134.804   16.500 -18.44936 28.27568 
1 1 1   27    7    7 o  120.827   13.256  189.007   39.341  203.140   62.253  179.610   50.763  122.190   21.169  116.010   18.115 6.180466 27.86165 
1 1 1   27    7    8 o   79.411   16.783   84.840   32.239   98.465   54.387   77.459   40.030   83.976   24.451   75.155   20.680 8.821350 32.02341 
1 1 1   27    7    9 o   64.422   22.979   50.595   46.658   42.443   50.110  103.711  127.911   62.416   23.552   92.713   36.880 -30.29686 43.75828 
1 1 1   27    7   10 o  170.441   17.462  383.252   73.275  368.630   84.123  429.232  149.174  165.299   20.843  166.519   36.849 -1.219849 42.33543 
1 1 1   27    7   11 o   80.175   23.999   89.555   51.801   68.168   56.626  199.251  128.244   72.540   25.366  112.813   38.221 -40.27273 45.87227 
1 1 1   27    7   12 o   79.402   25.056   87.580   55.542   82.247   61.345  111.838  130.831   77.919   26.434   93.838   37.307 -15.91888 45.72313 
1 1 1   27    7   13 o   58.563   23.258   30.634   50.796   46.005   55.845 -43.0290  122.251   64.826   24.766   68.153   31.332 -3.327049 39.93787 
1 1 1   27    7   14 o  114.645   22.513  183.533   62.152  184.260   70.276  180.925  133.162  113.330   25.454  107.206   38.752 6.124237 46.36364 
1 1 1   27    7   15 o   52.167   22.719   0.1887   55.464  -1.7988   61.273   9.2041  130.502   54.134   23.719   76.172   33.935 -22.03788 41.40217 
1 1 1   27    7   16 o   56.950   23.880   17.951   57.224   17.951   57.224   0.0000   0.0000   56.950   23.880  ?   ?  0.000000 23.87970 
1 1 1   27    7   17 o   90.138   17.686  111.025   38.388   27.915   64.728  156.117   47.677   61.733   25.601  106.900   18.532 -45.16658 31.60410 
1 1 1   27    7   18 o  133.521   14.444  234.946   47.393  191.190   78.651  259.891   59.385  112.535   28.079  138.865   17.515 -26.32965 33.09364 
1 1 1   27    7   19 o   56.988   19.056   42.700   31.876   37.217   62.676   44.613   37.021   62.946   25.545   58.838   20.514 4.107418 32.76211 
1 1 1   27    8    0 o  245.542   12.003  767.903   73.600  680.740  106.343  848.036  101.965  227.234   18.913  255.612   16.056 -28.37822 24.80873 
1 1 1   27    8    1 o   76.237   16.817   78.134   31.157   39.932   51.268  100.506   39.234   62.159   23.734   86.118   18.773 -23.95900 30.26106 
1 1 1   27    8    2 o  133.643   12.848  230.052   42.350  223.094   65.721  234.994   55.381  128.319   21.254  133.602   16.984 -5.282990 27.20593 
1 1 1   27    8    3 o  104.560   13.825  142.353   35.213  154.669   55.298  133.952   45.669  106.264   21.575   99.638   19.049 6.625664 28.78139 
1 1 1   27    8    4 o   88.787   14.928  103.995   31.924   90.861   51.223  112.337   40.822   81.113   23.761   91.202   18.556 -10.08876 30.14793 
1 1 1   27    8    5 o   77.311   16.029   79.959   29.931   96.330   50.063   70.852   37.339   83.347   23.200   72.150   20.020 11.19685 30.64370 
1 1 1   27    8    6 o   88.015   15.942  103.007   33.748   70.884   53.598  124.107   43.440   73.419   24.710   95.831   18.824 -22.41278 31.06314 
1 1 1   27    8    7 o   86.206   22.923  103.410   50.202  106.759   54.130   82.816  134.222   87.361   24.051   90.239   37.088 -2.877312 44.20432 
1 1 1   27    8    8 o   57.626   22.289   32.268   45.622   30.997   48.752   41.219  129.419   58.298   22.901   82.354   35.273 -24.05534 42.05509 
1 1 1   27    8    9 o   58.400   22.809   32.117   48.131   7.3263   51.398  208.710  137.180   52.580   22.367  115.461   39.528 -62.88142 45.41750 
1 1 1   27    8   10 o   85.799   24.143  103.349   53.907  116.176   59.161   40.597  130.853   90.568   25.224   82.224   35.349 8.344009 43.42596 
1 1 1   27    8   11 o   74.172   24.121   74.426   51.193   73.800   55.945   77.649  126.919   74.471   25.244   87.398   36.010 -12.92620 43.97725 
1 1 1   27    8   12 o  188.106   18.589  470.320   86.178  447.374  102.466  525.784  159.304  180.411   23.288  185.247   35.732 -4.836288 42.65070 
1 1 1   27    8   13 o   71.274   24.935   65.931   54.724  109.158   59.990 -148.3692  133.570   87.512   25.737   61.098   29.441 26.41410 39.10461 
1 1 1   27    8   14 o   72.941   24.703   71.346   53.569   84.313   58.801   8.0474  129.916   78.169   25.873   76.381   33.953 1.788544 42.68756 
1 1 1   27    8   15 o   85.334   35.922   69.834  130.321   0.0000   0.0000   69.834  130.321  ?   ?    85.334   35.922 0.000000 35.92212 
1 1 1   27    8   16 o   58.885   23.691   29.819   53.409   58.894   58.955 -103.2882  126.140   69.198   25.658   62.268   29.627 6.929947 39.19255 
1 1 1   27    8   17 o   63.810   24.408   45.840   54.280   23.786   60.830  132.023  120.252   59.570   24.770   94.718   36.305 -35.14772 43.95029 
1 1 1   27    8   18 o   66.795   24.831   55.077   55.287   27.042   62.644  153.852  117.584   60.750   25.188   98.721   36.302 -37.97160 44.18490 
1 1 1   27    8   19 o   52.382   22.681   4.9262   54.646  -0.9165   62.315   24.379  113.704   54.108   23.808   73.076   32.157 -18.96786 40.01094 
1 1 1   27    8   20 o   60.885   24.563   35.338   57.584   49.408   66.520  -6.7307  115.026   66.938   26.605   68.453   31.056 -1.514732 40.89444 
1 1 1   27    9    0 o   94.937   14.474  118.272   33.229  116.250   53.691  119.527   42.305   91.296   23.433   94.079   18.666 -2.783447 29.95836 
1 1 1   27    9    1 o  128.298   12.943  212.360   40.902  123.230   62.021  280.960   54.412   93.444   25.753  146.983   15.036 -53.53916 29.82069 
1 1 1   27    9    2 o  120.494   13.440  188.005   39.751  172.446   61.387  199.240   52.164  111.806   22.761  122.618   17.535 -10.81159 28.73217 
1 1 1   27    9    3 o   67.816   16.598   61.924   27.880   69.700   46.471   57.551   34.848   72.138   22.935   65.583   19.696 6.555061 30.23186 
1 1 1   27    9    4 o  211.209   12.281  570.697   64.492  588.190   94.507  555.452   88.227  211.537   18.064  205.946   17.316 5.591202 25.02300 
1 1 1   27    9    5 o  224.317   16.076  654.424   89.455  673.231  103.259  597.853  179.092  226.124   18.447  198.027   37.591 28.09718 41.87333 
1 1 1   27    9    6 o  159.962   18.383  338.763   72.098  303.574   81.365  467.388  155.560  149.251   22.532  175.100   36.748 -25.84950 43.10569 
1 1 1   27    9    7 o   90.191   22.908  113.341   51.694   75.113   55.619  355.884  140.098   75.170   25.172  151.559   37.275 -76.38937 44.97855 
1 1 1   27    9    8 o   90.050   23.492  113.484   53.380   95.245   57.811  218.973  139.034   82.767   25.475  117.988   39.797 -35.22142 47.25248 
1 1 1   27    9    9 o   77.799   23.519   83.413   49.569   79.284   53.561  108.059  130.843   76.402   24.658   93.955   37.323 -17.55276 44.73302 
1 1 1   27    9   10 o   79.371   16.973   84.982   32.623   88.534   57.168   83.266   39.727   80.082   25.436   77.802   20.251 2.280914 32.51311 
1 1 1   27    9   11 o   82.810   16.747   92.268   33.441   25.918   54.909  131.387   42.161   58.819   23.896   98.863   17.729 -40.04343 29.75437 
1 1 1   27    9   12 o   92.306   15.925  113.492   35.381   50.190   57.729  151.574   44.776   66.778   25.259  106.401   17.457 -39.62302 30.70489 
1 1 1   27    9   13 o  110.687   14.579  160.781   39.317  146.133   63.091  170.082   50.272  101.165   25.095  112.297   18.577 -11.13172 31.22260 
1 1 1   27    9   14 o  118.283   15.187  184.192   43.822  113.721   75.640  219.795   53.764   88.986   29.339  128.493   17.186 -39.50794 34.00229 
1 1 1   27    9   15 o   62.679   24.439   40.155   55.187   40.155   55.187   0.0000   0.0000   62.679   24.439  ?   ?  0.000000 24.43908 
1 1 1   27    9   16 o  119.197   14.729  186.990   42.909   88.906   69.160  248.373   54.712   80.258   28.035  136.853   16.332 -56.59503 32.44515 
1 1 1   27    9   17 f   75.396   18.221   78.349   33.924   69.561   61.180   82.251   40.765   72.864   26.278   76.639   20.778 -3.774750 33.50008 
1 1 1   27    9   18 o   47.352   17.959   23.090   29.229   95.513   58.455  -1.0549   33.752   81.428   25.706   41.005   17.790 40.42307 31.26122 
1 1 1   27    9   19 o  100.825   16.602  137.398   40.346   26.117   68.396  196.786   49.965   62.133   26.083  120.824   17.033 -58.69059 31.15148 
1 1 1   27    9   20 o  132.234   14.598  231.421   47.400  228.673   82.125  232.794   58.044  123.309   27.384  130.607   18.299 -7.298920 32.93497 
1 1 1   27   10    0 o  111.757   13.309  162.045   36.412  184.845   58.725  147.805   46.411  116.525   20.952  104.919   18.384 11.60596 27.87400 
1 1 1   27   10    1 o  161.612   12.209  334.924   48.910  297.872   73.140  364.896   65.782  149.014   20.174  167.221   15.946 -18.20622 25.71521 
1 1 1   27   10    2 o  141.197   12.494  256.378   43.598  207.573   64.999  296.293   58.783  123.241   21.924  150.591   15.870 -27.35055 27.06540 
1 1 1   27   10    3 o  105.209   13.536  143.980   34.737  106.414   53.092  172.099   45.934   87.314   23.730  114.112   16.607 -26.79803 28.96320 
1 1 1   27   10    4 o  161.953   12.366  336.532   49.635  303.038   74.067  363.834   66.872  150.299   20.249  166.849   16.256 -16.54997 25.96748 
1 1 1   27   10    5 o  204.617   17.437  549.223   88.247  455.092  101.942  830.652  176.268  183.050   22.795  241.660   29.843 -58.60963 37.55310 
1 1 1   27   10    6 o  152.206   18.359  307.177   68.372  256.873   76.384  509.919  153.346  136.676   23.210  184.942   34.472 -48.26657 41.55751 
1 1 1   27   10    7 o   82.440   23.343   94.479   50.233   90.249   54.090  121.002  135.455   80.753   24.603   97.192   38.175 -16.43859 45.41666 
1 1 1   27   10    8 o  204.120   13.146  535.754   66.653  419.314  105.277  613.656   86.110  174.051   24.934  217.036   16.001 -42.98529 29.62666 
1 1 1   27   10    9 o  142.136   12.895  260.592   45.272  195.221   69.125  309.692   59.908  118.113   24.249  153.865   15.817 -35.75230 28.95110 
1 1 1   27   10   10 o  126.183   13.580  206.624   42.116  179.340   64.707  226.678   55.474  113.304   23.634  130.709   17.430 -17.40511 29.36621 
1 1 1   27   10   11 o   43.451   16.640   17.724   25.247  -9.1498   47.740   28.159   29.747   46.819   20.708   50.197   18.289 -3.377800 27.62831 
1 1 1   27   10   12 o  117.003   13.643  178.214   39.113  146.931   62.899  197.938   49.944  101.624   24.965  122.162   16.818 -20.53851 30.10152 
1 1 1   27   10   13 o   57.328   17.610   43.495   27.641   54.560   51.239   38.953   32.827   66.630   24.045   56.056   19.330 10.57404 30.85140 
1 1 1   27   10   14 o   81.150   16.938   89.106   33.215   52.014   57.441  107.737   40.711   67.080   25.236   88.715   18.952 -21.63512 31.56008 
1 1 1   27   10   15 o  154.353   14.088  310.214   53.702  164.035   81.988  420.052   71.070  104.718   29.882  178.727   16.096 -74.00961 33.94176 
1 1 1   27   10   16 o  150.136   13.518  293.038   50.138  227.026   78.699  338.133   65.047  125.536   25.962  159.851   16.534 -34.31532 30.77960 
1 1 1   27   10   17 o  125.459   14.544  206.918   44.722  128.961   72.379  255.060   56.878   93.252   28.471  138.353   16.808 -45.10088 33.06237 
1 1 1   27   10   18 o   46.676   17.767   22.022   28.676  -3.3135   56.207   30.937   33.342   51.461   22.628   52.280   19.313 -0.8192024 29.74935 
1 1 1   27   10   19 o   71.705   18.458   71.374   33.246   68.723   62.184   72.436   39.340   72.300   26.428   71.865   20.758 0.4350357 33.60558 
1 1 1   27   10   20 o  142.202   14.163  266.191   49.625  165.674   80.607  327.540   62.973  103.297   29.678  156.592   16.345 -53.29500 33.88124 
1 1 1   27   11    0 o   79.559   15.029   84.157   28.765   78.809   47.394   87.277   36.193   75.814   23.015   80.086   18.474 -4.271072 29.51227 
1 1 1   27   11    1 f  110.370   13.439  158.300   36.275  155.746   57.321  160.007   46.850  106.101   22.341  109.452   17.749 -3.350296 28.53284 
1 1 1   27   11    2 o  178.417   12.048  407.746   53.366  321.942   77.397  485.508   73.681  154.710   20.541  193.270   15.394 -38.55997 25.66951 
1 1 1   27   11    3 o   73.431   16.022   72.382   28.553   50.350   46.621   85.607   36.121   64.388   22.969   79.322   18.564 -14.93395 29.53324 
1 1 1   27   11    4 f   74.792   22.346   76.501   44.942   89.257   47.516 -31.7582  138.426   80.299   22.692   74.563   33.921 5.735870 40.81105 
1 1 1   27   11    5 o  218.687   16.938  625.745   91.777  479.114  105.960  1066.14  183.632  187.527   23.116  276.833   26.903 -89.30661 35.47025 
1 1 1   27   11    6 o  118.741   20.605  191.507   58.881  170.105   64.331  301.992  146.165  110.257   24.042  136.994   40.140 -26.73680 46.78946 
1 1 1   27   11    7 f  123.045   13.425  196.258   40.582  148.781   65.001  226.585   51.951  102.377   25.516  131.276   16.190 -28.89950 30.21929 
1 1 1   27   11    8 o  184.803   12.101  437.660   55.536  371.987   82.046  493.196   75.449  166.559   20.135  194.586   15.660 -28.02667 25.50730 
1 1 1   27   11    9 o  156.988   12.779  317.386   49.661  243.088   73.985  378.308   66.995  132.655   23.178  170.094   15.959 -37.43878 28.14092 
1 1 1   27   11   10 f  196.507   12.512  495.817   61.081  432.738   89.776  550.182   83.344  179.484   20.392  205.054   16.414 -25.57005 26.17739 
1 1 1   27   11   11 o  147.208   12.707  279.426   46.253  200.529   69.857  341.011   61.719  119.546   24.230  161.544   15.489 -41.99844 28.75781 
1 1 1   27   11   12 o  155.824   12.877  313.291   49.658  261.739   75.756  352.130   65.755  137.682   22.834  163.728   16.299 -26.04579 28.05457 
1 1 1   27   11   13 f  113.460   18.403  173.344   50.355   0.0000   0.0000  173.344   50.355  ?   ?   113.460   18.403 0.000000 18.40284 
1 1 1   27   11   14 o   60.510   23.483   36.990   50.773   36.990   50.773   0.0000   0.0000   60.510   23.483  ?   ?  0.000000 23.48349 
1 1 1   27   11   15 o  216.488   13.203  605.281   71.033  472.519  106.266  712.520   95.506  184.593   23.593  232.803   16.536 -48.20947 28.81055 
1 1 1   27   11   16 o   60.032   17.960   48.514   29.016   55.581   54.577   45.730   34.259   67.341   24.737   59.334   19.754 8.006580 31.65665 
1 1 1   27   11   17 o  155.572   13.557  314.956   52.141  270.943   81.435  345.535   67.878  138.141   24.504  161.121   17.133 -22.97989 29.90001 
1 1 1   27   11   18 o  104.320   15.151  144.648   38.316  100.153   64.409  169.020   47.668   83.280   27.055  111.785   17.663 -28.50544 32.31035 
1 1 1   27   11   19 o  112.366   15.401  168.114   42.077   89.076   70.431  211.979   52.470   79.660   28.252  125.487   17.196 -45.82701 33.07362 
1 1 1   27   11   20 o  112.687   14.845  168.752   40.758  122.504   70.299  192.170   50.024   90.126   28.151  119.138   17.321 -29.01217 33.05273 
1 1 1   27   11   21 o  154.587   13.520  313.372   51.668  246.129   84.766  353.125   65.175  127.839   27.378  162.471   16.283 -34.63254 31.85445 
1 1 1   27   12    0 o  103.635   14.063  140.523   35.454  134.809   54.953  144.597   46.402   98.214   22.838  103.480   18.643 -5.266182 29.48116 
1 1 1   27   12    1 o  156.669   12.233  315.344   47.479  306.444   70.036  322.912   64.585  151.539   18.920  156.661   16.770 -5.122040 25.28190 
1 1 1   27   12    2 o  185.743   11.613  441.302   53.593  457.082   78.433  427.483   73.400  186.549   17.024  180.660   16.450 5.889542 23.67342 
1 1 1   27   12    3 o  134.642   11.888  232.910   39.559  228.729   59.736  236.175   52.796  130.732   18.842  134.064   16.092 -3.331451 24.77826 
1 1 1   27   12    4 o   57.946   21.415   37.538   41.002   32.506   42.696   97.223  147.050   56.644   21.651   94.146   38.772 -37.50262 44.40800 
1 1 1   27   12    5 o   71.750   22.566   69.555   45.087   66.920   47.555   92.983  141.792   70.926   23.258   92.701   38.113 -21.77454 44.64842 
1 1 1   27   12    6 o   46.291   19.653   4.8691   39.541   4.7809   41.351   5.8107  135.091   47.188   20.067   78.248   34.711 -31.06012 40.09406 
1 1 1   27   12    7 o   94.699   14.594  118.040   33.403   69.026   53.282  149.777   42.875   72.468   24.636  106.142   16.730 -33.67384 29.77938 
1 1 1   27   12    8 o  185.666   12.206  442.128   56.278  346.030   82.796  524.657   76.728  159.855   21.269  200.786   15.421 -40.93124 26.27102 
1 1 1   27   12    9 o  100.538   14.265  132.546   34.809   88.375   54.321  163.322   45.343   79.828   24.714  110.812   16.923 -30.98322 29.95297 
1 1 1   27   12   10 o  312.472   13.240  1253.13  103.311  1082.10  147.852  1416.30  144.417  283.978   20.998  328.321   17.680 -44.34238 27.44977 
1 1 1   27   12   11 o  125.539   13.344  204.497   41.191  116.458   63.307  269.132   54.244   90.286   26.406  143.370   15.392 -53.08386 30.56464 
1 1 1   27   12   12 o  157.215   12.993  319.149   50.553  174.272   75.456  437.136   68.094  109.479   27.606  183.195   15.017 -73.71526 31.42604 
1 1 1   27   12   13 o  105.662   14.290  146.496   36.738  183.726   60.799  125.086   46.106  115.204   21.935   95.395   19.994 19.80856 29.68024 
1 1 1   27   12   14 o   94.417   15.823  118.828   35.988   87.681   58.944  137.338   45.441   79.420   25.886  100.484   18.800 -21.06416 31.99257 
1 1 1   27   12   15 o  196.120   12.394  495.177   60.386  417.473   91.391  555.391   80.450  174.903   21.369  205.870   15.769 -30.96716 26.55719 
1 1 1   27   12   16 o  112.582   14.639  166.898   40.182   67.111   64.864  229.040   51.187   72.969   26.941  131.587   15.900 -58.61797 31.28294 
1 1 1   27   12   17 o  176.979   12.740  405.142   55.928  392.121   87.189  414.245   72.904  169.165   21.098  176.804   16.710 -7.638855 26.91402 
1 1 1   27   12   18 o  160.729   14.180  337.833   56.332  192.260   87.030  442.794   73.900  112.015   30.356  182.858   16.357 -70.84314 34.48230 
1 1 1   27   12   19 o  141.882   13.991  263.900   48.924  204.470   79.872  299.587   61.894  116.902   27.772  149.715   16.848 -32.81255 32.48262 
1 1 1   27   12   20 o   77.746   18.377   84.013   35.113   23.826   62.958  111.188   42.304   59.835   25.066   89.188   19.535 -29.35215 31.77955 
1 1 1   27   12   21 o  148.716   13.942  290.918   51.172  196.463   82.919  349.018   65.033  112.551   29.239  161.520   16.349 -48.96867 33.49874 
1 1 1   27   13    0 o  107.459   13.194  150.305   34.663  152.585   53.880  148.694   45.276  105.144   21.252  105.165   17.880 -0.2176666E-01 27.77297 
1 1 1   27   13    1 o  227.960   11.712  664.856   66.448  677.829   95.322  652.592   92.678  227.252   16.918  223.061   16.761 4.191544 23.81480 
1 1 1   27   13    2 o   82.949   14.539   91.139   29.018  108.935   46.590   79.860   37.092   88.606   21.316   76.280   19.421 12.32578 28.83639 
1 1 1   27   13    3 o   91.816   13.591  110.450   30.220  147.280   48.357   86.848   38.710  104.172   19.300   79.513   19.617 24.65872 27.51905 
1 1 1   27   13    4 o  130.302   19.559  228.746   61.676  211.067   66.961  327.677  158.404  123.653   22.515  140.376   41.955 -16.72248 47.61480 
1 1 1   27   13    5 o  170.899   18.271  387.428   76.765  361.281   85.847  491.754  171.480  163.115   21.608  175.272   40.054 -12.15710 45.51039 
1 1 1   27   13    6 o   65.353   16.574   57.712   27.087   48.447   46.139   62.585   33.461   63.400   22.825   67.845   18.996 -4.444839 29.69616 
1 1 1   27   13    7 o  151.174   12.947  294.874   48.405  201.566   71.232  374.928   65.979  119.686   24.654  169.332   15.785 -49.64669 29.27425 
1 1 1   27   13    8 o  231.216   12.515  685.996   71.992  637.923  104.445  729.509   99.368  218.934   19.301  235.830   16.987 -16.89607 25.71195 
1 1 1   27   13    9 o   50.882   16.793   32.677   24.778   40.461   44.817   29.251   29.736   60.067   22.351   50.674   18.313 9.393326 28.89521 
1 1 1   27   13   10 o  244.092   12.401  764.305   75.339  608.724  108.643  908.426  104.565  212.716   20.716  263.919   15.941 -51.20284 26.13890 
1 1 1   27   13   11 o   82.441   15.730   90.922   31.202   73.996   52.072  100.404   38.974   73.967   24.341   85.744   18.726 -11.77713 30.71092 
1 1 1   27   13   12 o  174.947   16.357  402.220   70.630   0.0000   0.0000  402.220   70.630  ?   ?   174.947   16.357 0.000000 16.35689 
1 1 1   27   13   13 o  118.596   14.100  183.833   40.940  182.669   61.822  184.743   54.638  114.569   22.411  116.666   19.438 -2.097282 29.66662 
1 1 1   27   13   14 o  139.639   12.740  252.256   43.936  231.539   69.281  266.193   56.825  129.305   22.259  141.938   16.330 -12.63312 27.60641 
1 1 1   27   13   15 o  127.597   13.888  212.531   43.537  133.834   68.538  265.770   56.372   95.657   27.330  141.791   16.212 -46.13444 31.77679 
1 1 1   27   13   16 o  127.523   13.800  212.405   43.246  151.541   68.554  252.637   55.736  101.761   26.658  137.961   16.506 -36.20076 31.35450 
1 1 1   27   13   17 o   84.512   16.618   96.732   33.822   39.833   59.114  124.422   41.239   63.427   25.121   95.592   17.934 -32.16459 30.86635 
1 1 1   27   13   18 o  193.444   12.813  484.568   61.544  444.734   94.777  513.612   80.928  179.584   21.565  196.829   16.620 -17.24486 27.22678 
1 1 1   27   13   19 o   82.633   16.963   93.243   33.830   28.340   59.988  123.511   40.966   60.233   24.780   95.001   17.925 -34.76780 30.58365 
1 1 1   27   13   20 o  121.753   14.749  196.386   43.928  137.191   73.687  229.021   54.713   94.904   28.672  130.305   17.237 -35.40089 33.45475 
1 1 1   27   13   21 o  203.817   13.641  543.382   69.026  394.995  107.072  648.909   90.294  163.101   27.250  220.527   16.516 -57.42509 31.86459 
1 1 1   27   14    0 o   87.251   21.065  105.977   45.376  101.978   47.067  158.653  170.819   85.325   21.961  104.896   42.311 -19.57175 47.67027 
1 1 1   27   14    1 o   99.361   20.607  136.165   49.453  133.933   51.630  160.971  172.113   98.095   21.656  105.604   42.515 -7.508926 47.71244 
1 1 1   27   14    2 o   76.860   15.187   79.008   28.116   79.500   44.605   78.683   36.218   75.753   22.168   75.679   19.149 0.7389069E-01 29.29329 
1 1 1   27   14    3 o  159.783   12.009  328.072   47.567  294.659   69.944  356.824   64.881  148.074   19.381  164.944   15.951 -16.87016 25.10081 
1 1 1   27   14    4 o  200.589   15.474  524.835   76.910  485.161   84.371  719.863  187.063  191.474   17.851  217.233   35.726 -25.75865 39.93737 
1 1 1   27   14    5 o  111.610   21.114  171.226   56.693  152.805   60.463  305.251  163.089  104.131   23.775  134.037   43.003 -29.90638 49.13788 
1 1 1   27   14    6 o   84.091   15.518   94.335   31.386   66.650   51.539  110.653   39.569   71.146   24.229   90.320   18.173 -19.17387 30.28713 
1 1 1   27   14    7 o   99.863   13.988  130.720   33.925   77.986   52.204  169.273   44.636   75.536   24.340  113.007   16.287 -37.47113 29.28674 
1 1 1   27   14    8 o  148.416   12.594  284.040   46.236  257.910   69.208  305.102   62.137  137.728   20.768  152.128   16.627 -14.39987 26.60384 
1 1 1   27   14    9 o  143.705   12.897  266.862   45.789  199.612   67.850  323.105   62.049  119.437   23.586  156.843   16.069 -37.40604 28.53979 
1 1 1   27   14   10 o  197.749   12.081  501.841   59.373  430.845   86.967  563.817   81.254  179.149   19.769  207.708   15.784 -28.55956 25.29697 
1 1 1   27   14   11 o  116.265   13.971  176.549   39.750  112.569   64.374  215.976   50.534   88.639   26.804  127.850   16.191 -39.21102 31.31441 
1 1 1   27   14   12 o   78.655   23.307   86.466   49.040   65.093   51.579  287.698  158.266   70.415   24.232  129.858   42.421 -59.44259 48.85444 
1 1 1   27   14   13 o   36.846   15.095   7.1371   22.145 -14.0747   44.996   13.917   25.440   44.148   19.778   41.755   16.498 2.392307 25.75570 
1 1 1   27   14   14 o  118.914   13.674  184.566   39.867  167.597   62.883  195.970   51.551  108.756   23.814  120.948   17.583 -12.19238 29.60181 
1 1 1   27   14   15 o  163.335   12.916  345.197   52.252  251.424   79.177  417.545   69.546  133.130   24.727  178.245   15.788 -45.11559 29.33693 
1 1 1   27   14   16 o  206.729   12.896  552.279   66.243  440.724   98.636  643.931   89.406  178.435   22.646  221.100   16.308 -42.66492 27.90713 
1 1 1   27   14   17 o   84.741   16.327   97.059   33.297   62.236   57.705  114.441   40.768   69.916   25.473   91.325   18.510 -21.40957 31.48826 
1 1 1   27   14   18 o   74.699   17.871   76.893   32.889   7.3407   58.478  109.072   39.776   54.732   23.581   89.009   18.499 -34.27637 29.97147 
1 1 1   27   14   19 o   74.283   17.577   76.074   32.098   58.541   57.911   83.848   38.563   68.385   25.415   77.335   19.864 -8.950356 32.25659 
1 1 1   27   14   20 o  106.013   15.836  150.810   40.639   95.942   66.776  183.087   51.216   81.288   27.580  115.734   18.332 -34.44593 33.11653 
1 1 1   27   14   21 o  155.619   14.491  319.589   55.667  288.662   85.799  342.072   73.154  140.470   25.394  158.182   18.893 -17.71199 31.65174 
1 1 1   27   15    0 o  169.712   16.053  379.216   67.226  368.644   71.370  462.414  200.214  166.562   17.416  158.476   47.124 8.086746 50.23935 
1 1 1   27   15    1 o  142.081   17.071  268.239   59.355  261.329   62.673  328.365  184.875  139.533   18.438  134.491   45.889 5.041306 49.45465 
1 1 1   27   15    2 o  154.659   16.227  315.325   61.736  276.171   65.167  658.120  192.822  143.450   18.632  202.065   39.629 -58.61462 43.79063 
1 1 1   27   15    3 o  100.594   20.446  139.502   49.611  124.141   51.818  308.408  171.822   94.016   22.392  132.538   44.244 -38.52192 49.58748 
1 1 1   27   15    4 o  289.698   15.564  1094.15  112.181  992.732  126.861  1457.88  240.244  273.366   18.696  316.109   30.827 -42.74292 36.05313 
1 1 1   27   15    5 o   56.726   21.284   35.085   40.807   37.809   42.274  -2.1327  156.271   58.203   21.698   80.856   36.486 -22.65331 42.44992 
1 1 1   27   15    6 o   57.874   16.658   44.901   25.375   17.199   43.486   59.204   31.247   51.666   21.158   65.952   18.319 -14.28508 27.98664 
1 1 1   27   15    7 o  168.476   12.518  365.651   52.290  282.893   76.324  438.857   71.784  143.504   22.000  183.013   15.864 -39.50928 27.12308 
1 1 1   27   15    8 o  118.571   12.887  182.413   37.543  177.340   57.647  186.149   49.474  113.492   21.118  118.090   17.289 -4.598007 27.29226 
1 1 1   27   15    9 o  230.734   12.747  685.048   73.162  601.964  105.615  761.700  101.444  211.540   20.240  240.624   16.992 -29.08427 26.42704 
1 1 1   27   15   10 o  236.033   12.495  716.088   73.386  623.867  105.651  802.065  102.011  215.629   19.843  247.172   16.624 -31.54291 25.88645 
1 1 1   27   15   11 o   67.586   16.582   61.999   27.776   53.713   49.655   65.772   33.509   65.859   23.682   69.287   18.861 -3.427689 30.27520 
1 1 1   27   15   12 o   90.069   15.666  108.299   33.957   68.968   53.746  134.430   43.807   72.048   24.740   99.550   18.296 -27.50230 30.77002 
1 1 1   27   15   13 o   52.898   16.846   36.403   25.062   76.435   47.317   20.793   29.547   74.307   23.076   46.700   17.973 27.60715 29.24958 
1 1 1   27   15   14 o  168.550   12.523  366.686   52.335  322.537   79.097  401.064   69.797  153.468   21.206  174.448   16.207 -20.98058 26.69013 
1 1 1   27   15   15 o  166.604   12.800  359.084   52.846  324.756   79.987  385.676   70.399  153.726   21.418  170.648   16.735 -16.92220 27.18118 
1 1 1   27   15   16 o  189.917   13.419  468.025   63.229  378.379   93.830  542.596   85.577  164.417   23.524  202.239   17.105 -37.82208 29.08537 
1 1 1   27   15   17 o  206.053   14.025  553.110   71.735  484.289  100.382  624.938  102.551  187.320   21.871  215.219   19.286 -27.89912 29.15997 
1 1 1   27   15   18 o   97.348   19.244  130.930   45.125  -4.9784  186.368  139.394   46.508   83.609   38.529  100.530   19.227 -16.92042 43.05980 
1 1 1   27   15   19 o   61.680   19.221   51.698   32.796   3.1036  189.175   53.204   33.301   84.205   38.809   62.469   19.352 21.73634 43.36625 
1 1 1   27   15   20 o  104.738   19.765  152.711   49.801 -222.2017  209.218  175.230   51.274   70.929   34.771  112.859   18.859 -41.92936 39.55622 
1 1 1   27   15   21 o   97.696   18.975  132.741   44.625  343.872  218.781  123.576   45.583  124.890   48.670   93.638   20.095 31.25201 52.65513 
1 1 1   27   16    0 o  122.530   18.715  203.565   55.446  201.942   57.985  220.899  189.480  121.483   19.795  113.399   44.956 8.083878 49.12159 
1 1 1   27   16    1 o  170.977   16.506  386.608   69.598  375.735   74.292  464.579  198.947  167.649   18.029  158.120   46.965 9.528885 50.30632 
1 1 1   27   16    2 o  168.200   15.965  372.653   66.252  347.325   70.451  566.316  194.810  161.342   17.781  181.105   43.599 -19.76302 47.08568 
1 1 1   27   16    3 o  209.628   16.379  578.401   85.061  551.872   93.200  710.692  208.124  203.270   18.566  206.699   41.758 -3.429230 45.69963 
1 1 1   27   16    4 o  205.391   15.347  551.686   78.146  481.778   84.416  970.545  206.632  190.276   17.979  253.546   33.452 -63.26952 37.97771 
1 1 1   27   16    5 o  207.991   18.163  575.443   93.392  537.949  105.395  712.496  201.506  198.588   21.601  209.682   39.942 -11.09386 45.40908 
1 1 1   27   16    6 o  136.189   13.061  240.554   43.875  209.795   67.391  263.184   57.804  122.562   22.860  140.877   16.760 -18.31419 28.34556 
1 1 1   27   16    7 o   43.368   15.725   20.879   21.953   14.366   38.130   24.108   26.849   48.307   19.801   47.048   17.340 1.259117 26.32029 
1 1 1   27   16    8 o   71.424   15.938   68.946   27.706   20.207   45.081   98.530   35.123   53.163   21.631   85.326   17.080 -32.16273 27.56103 
1 1 1   27   16    9 o   92.882   14.543  114.094   32.625   64.349   51.335  147.802   42.257   69.986   24.170  105.153   16.647 -35.16761 29.34792 
1 1 1   27   16   10 o  172.105   17.014  392.034   72.166   0.0000   0.0000  392.034   72.166  ?   ?   172.105   17.014 0.000000 17.01420 
1 1 1   27   16   11 o  139.618   19.709  264.274   66.804  264.274   66.804   0.0000   0.0000  139.618   19.709  ?   ?  0.000000 19.70886 
1 1 1   27   16   12 o  155.895   12.443  313.785   48.035  293.198   72.274  330.075   64.289  146.804   20.254  157.980   16.541 -11.17630 26.15070 
1 1 1   27   16   13 o  110.130   13.115  158.207   35.358  165.665   57.187  153.592   44.987  108.975   21.776  106.788   17.475 2.187424 27.92071 
1 1 1   27   16   14 o   50.056   16.842   31.454   24.899   8.3977   46.896   40.506   29.383   50.419   21.404   55.839   18.280 -5.420265 28.14750 
1 1 1   27   16   15 o  106.120   14.684  148.821   37.870  105.946   59.075  178.730   49.341   85.674   25.625  115.118   17.733 -29.44402 31.16267 
1 1 1   27   16   16 o  130.583   17.829  229.570   56.620  160.024  179.715  237.234   59.658  103.186   42.713  132.392   18.555 -29.20658 46.56936 
1 1 1   27   16   17 o  185.289   17.246  457.812   78.883  658.276  209.022  424.520   85.182  192.179   44.441  176.746   19.631 15.43341 48.58392 
1 1 1   27   16   18 o   76.953   19.582   82.817   37.723 -82.4314  180.866   90.332   38.571   75.659   35.846   80.433   19.423 -4.774323 40.76949 
1 1 1   27   16   19 o   78.872   19.090   86.892   37.194  209.047  194.930   82.277   37.890  108.449   44.649   76.558   19.704 31.89061 48.80310 
1 1 1   27   16   20 o   98.880   18.696  135.225   44.473   42.494  198.018  140.152   45.639   88.088   40.266  100.628   18.855 -12.54026 44.46168 
1 1 1   27   16   21 o  144.210   16.804  280.200   59.379  375.205  218.258  272.606   61.706  129.299   49.065  141.576   17.851 -12.27718 52.21115 
1 1 1   27   17    0 o  142.751   17.146  272.742   59.900  259.250   62.437  428.702  212.281  138.374   18.535  145.536   49.175 -7.162476 52.55200 
1 1 1   27   17    1 o  105.138   19.597  152.307   49.558  144.969   51.289  255.546  192.374  101.918   20.855  117.989   45.733 -16.07050 50.26373 
1 1 1   27   17    2 o   94.613   20.777  125.095   47.745  129.725   49.458   61.727  182.981   96.217   21.160   90.894   40.355 5.323402 45.56624 
1 1 1   27   17    3 o  157.683   16.594  329.849   64.361  322.636   68.069  390.691  197.693  155.209   17.890  142.774   47.449 12.43529 50.70967 
1 1 1   27   17    4 f  102.267   20.613  145.127   50.823  153.616   52.909   43.777  182.812  105.160   20.884   89.278   39.940 15.88271 45.07016 
1 1 1   27   17    5 o  165.209   17.840  364.510   72.432  303.805   77.776  761.235  198.830  148.477   21.611  218.357   37.835 -69.88020 43.57161 
1 1 1   27   17    6 f  110.287   20.223  167.421   53.642  142.189   56.261  419.699  177.901  100.187   22.977  153.708   44.069 -53.52119 49.69896 
1 1 1   27   17    7 o   84.754   21.292  100.731   45.005   94.987   46.685  176.244  169.277   82.083   22.228  106.408   42.395 -24.32529 47.86874 
1 1 1   27   17    8 o  100.083   13.663  131.491   33.255  100.896   51.305  153.657   43.670   84.256   23.498  107.048   16.897 -22.79199 28.94242 
1 1 1   27   17    9 o  133.414   12.493  230.471   41.136  206.463   62.636  248.680   54.549  122.205   21.299  136.996   16.263 -14.79102 26.79811 
1 1 1   27   17   10 o  244.843   15.495  784.561   94.248  750.209  105.462  920.802  210.029  237.589   17.907  243.609   35.574 -6.019730 39.82667 
1 1 1   27   17   11 f  187.231   12.065  451.316   56.110  409.710   83.009  486.319   76.139  174.268   19.404  192.234   16.006 -17.96596 25.15417 
1 1 1   27   17   12 o  100.229   14.179  132.435   34.499  106.295   55.330  149.061   44.127   86.082   24.542  105.131   17.418 -19.04920 30.09503 
1 1 1   27   17   13 f   81.565   15.428   89.343   30.272   61.159   50.799  104.863   37.697   68.447   24.020   87.640   17.832 -19.19302 29.91545 
1 1 1   27   17   14 o  140.815   12.996  257.665   45.183  223.839   68.992  283.068   59.788  126.288   22.712  145.855   16.717 -19.56728 28.20090 
1 1 1   27   17   15 o   47.668   16.689   27.357   24.515   7.7156   48.555   34.077   28.401   50.838   21.685   52.270   17.982 -1.431709 28.17085 
1 1 1   27   17   16 o  189.316   17.482  478.638   81.714  556.286  203.181  463.655   89.250  173.154   46.152  184.764   19.645 -11.61029 50.15874 
1 1 1   27   17   17 o   81.178   18.668   91.379   37.053  303.612  183.931   82.401   37.829  125.623   45.523   76.756   19.652 48.86684 49.58336 
1 1 1   27   17   18 o  172.959   16.714  399.131   71.290  426.538  203.235  395.286   76.127  144.735   48.110  171.202   18.080 -26.46745 51.39521 
1 1 1   27   17   19 o   47.429   17.034   26.457   25.682 -42.5691   52.267   48.427   29.488   42.050   19.719   59.640   18.165 -17.58980 26.81053 
1 1 1   27   17   20 o   86.480   16.172  101.759   33.640   75.458   59.195  114.304   40.883   73.625   25.923   90.662   18.679 -17.03731 31.95157 
1 1 1   27   17   21 o  121.648   14.020  195.843   41.811  155.921   70.011  217.976   52.129  101.034   27.162  126.889   16.869 -25.85563 31.97441 
1 1 1   27   18    0 o   40.851   17.526   1.9550   32.046  -1.1740   32.477  117.458  197.323   40.149   17.435   96.874   42.501 -56.72435 45.93856 
1 1 1   27   18    1 o   62.857   20.978   52.715   38.628   49.000   39.338  152.792  204.189   61.371   21.160  102.026   44.010 -40.65459 48.83287 
1 1 1   27   18    2 o   70.174   21.507   68.536   41.255   64.200   42.252  157.181  191.026   68.323   21.885  102.347   43.309 -34.02464 48.52460 
1 1 1   27   18    3 o   44.265   18.524   8.4492   34.328   10.476   34.939 -47.9762  184.373   45.245   18.790   79.526   37.211 -34.28118 41.68587 
1 1 1   27   18    4 o   61.610   21.111   49.303   39.128   45.179   40.004  140.331  187.940   60.069   21.293  100.585   42.778 -40.51646 47.78468 
1 1 1   27   18    5 f   63.609   21.353   53.533   40.022   46.543   41.002  194.453  184.100   60.876   21.559  108.392   43.853 -47.51569 48.86600 
1 1 1   27   18    6 o  116.215   21.142  187.696   59.095  192.113   62.284  147.839  187.082  117.073   22.115  101.968   42.988 15.10465 48.34310 
1 1 1   27   18    7 o   89.175   21.229  111.813   46.594  101.610   48.262  251.809  178.779   84.587   22.468  118.330   44.521 -33.74311 49.86889 
1 1 1   27   18    8 o   78.894   21.924   87.774   44.746   93.238   46.301   10.490  174.135   81.178   22.201   83.999   38.149 -2.821609 44.13865 
1 1 1   27   18    9 o  122.773   36.872  247.784  122.126  137.066  170.558  364.279  174.951   99.512   41.436  141.153   44.461 -41.64124 60.77600 
1 1 1   27   18   10 o  177.840   12.883  409.578   56.825  417.342   80.012  401.677   80.717  176.301   18.447  172.536   19.052 3.765457 26.51929 
1 1 1   27   18   11 o  163.572   12.168  345.484   49.346  396.765   74.135  304.688   66.122  172.462   17.454  150.684   17.924 21.77815 25.01822 
1 1 1   27   18   12 o  105.470   13.673  146.122   35.163  103.095   55.369  175.204   45.521   84.610   24.681  114.488   16.390 -29.87801 29.62711 
1 1 1   27   18   13 f  234.863   13.051  714.170   76.242  710.710  111.151  717.244  104.777  229.278   19.602  231.483   18.274 -2.204941 26.79889 
1 1 1   27   18   14 o  111.708   14.028  164.231   38.268  130.432   59.036  188.725   50.256   94.750   24.699  118.259   17.550 -23.50954 30.29907 
1 1 1   27   18   15 o  151.122   16.591  304.345   61.583  561.223  188.267  273.567   65.168  178.523   42.788  141.922   18.854 36.60057 46.75836 
1 1 1   27   18   16 o  121.747   18.069  201.180   53.267   77.465  181.820  212.795   55.711   91.285   40.392  125.102   18.381 -33.81701 44.37801 
1 1 1   27   18   17 o   61.885   18.812   52.326   31.650   82.011  179.993   51.379   32.151   91.170   40.273   61.440   19.012 29.73025 44.53502 
1 1 1   27   18   18 o   51.283   17.118   33.828   25.720 -35.8979   49.772   59.231   30.043   41.913   19.519   65.441   17.877 -23.52788 26.46860 
1 1 1   27   18   19 o   68.078   16.849   63.957   28.489   39.660   53.034   73.812   33.776   60.956   23.905   72.678   18.548 -11.72206 30.25683 
1 1 1   27   18   20 o   88.748   15.417  106.459   32.928  113.767   57.893  102.964   40.034   87.439   25.160   85.622   19.198 1.817162 31.64785 
1 1 1   27   18   21 o   75.723   16.398   78.977   30.109  104.798   57.452   69.200   35.353   83.772   25.319   69.973   19.503 13.79847 31.95987 
1 1 1   27   19    0 o  131.857   37.708  302.508  130.407  340.798  162.089  232.242  219.578  133.560   42.874  109.556   46.400 24.00346 63.17556 
1 1 1   27   19    1 o  156.124   16.201  325.449   62.243  309.991   64.911  501.913  219.321  151.556   17.471  153.035   49.935 -1.479187 52.90332 
1 1 1   27   19    2 o   47.348   18.973   18.158   34.103   18.940   34.596  -8.6734  202.690   47.847   19.132   84.460   39.352 -36.61278 43.75635 
1 1 1   27   19    3 o   84.466   21.102  101.250   44.381  100.768   45.505  110.670  200.970   84.095   21.566   96.296   42.545 -12.20123 47.69872 
1 1 1   27   19    4 o  183.732   16.099  447.802   73.118  429.317   77.527  596.575  219.939  178.879   17.583  173.880   48.709 4.998962 51.78522 
1 1 1   27   19    5 o   77.139   33.341   42.456  117.648   15.191  152.437   82.618  185.015   79.837   36.030   92.233   40.782 -12.39642 54.41796 
1 1 1   27   19    6 o   98.468   21.279  136.607   50.796  128.919   52.693  237.638  191.013   95.004   22.549  113.916   45.145 -18.91212 50.46321 
1 1 1   27   19    7 o   68.700   22.033   64.957   42.815   57.922   43.966  193.980  188.295   65.886   22.379  107.475   44.022 -41.58908 49.38385 
1 1 1   27   19    8 o  119.325   45.500  267.721  188.270   0.0000   0.0000  267.721  188.270  ?   ?   119.325   45.500 0.000000 45.50037 
1 1 1   27   19    9 o  122.373   19.729  205.737   58.239  205.737   58.239   0.0000   0.0000  122.373   19.729  ?   ?  0.000000 19.72885 
1 1 1   27   19   10 o  128.101   18.410  222.611   57.199  221.972   60.503  227.986  175.465  127.221   19.680  113.115   43.724 14.10678 47.94839 
1 1 1   27   19   11 o  264.382   15.975  921.592  104.974  829.511  117.583  1283.17  233.003  247.952   19.138  289.262   32.839 -41.30934 38.00850 
1 1 1   27   19   12 o   63.909   22.309   53.086   43.790   47.542   45.311  131.501  170.407   62.084   22.580   97.526   41.067 -35.44217 46.86501 
1 1 1   27   19   13 o  142.385   12.427  263.136   43.744  227.176   65.962  291.366   58.444  127.584   21.466  148.065   16.064 -20.48187 26.81129 
1 1 1   27   19   14 o  196.279   13.209  500.922   64.364  519.579   90.675  481.974   91.379  196.074   18.747  188.018   19.758 8.055740 27.23680 
1 1 1   27   19   15 o  103.667   18.280  147.227   45.594   50.412  180.877  153.796   47.115   87.738   39.453  105.902   18.489 -18.16476 43.57043 
1 1 1   27   19   16 o   40.368   16.012   13.076   24.050  202.412  179.656   9.6211   24.269  107.224   43.341   39.005   15.871 68.21822 46.15569 
1 1 1   27   19   17 o   99.149   14.379  130.756   34.563  146.828   59.510  122.575   42.458  100.300   24.067   94.042   18.737 6.258308 30.50098 
1 1 1   27   19   18 o   83.974   15.597   95.548   31.503   86.421   54.360  100.164   38.655   77.322   24.829   84.713   18.767 -7.391205 31.12403 
1 1 1   27   19   19 o   93.075   14.648  116.061   32.921  104.409   55.676  122.326   40.823   84.027   24.817   94.077   18.033 -10.05003 30.67726 
1 1 1   27   19   20 o  166.014   12.332  358.992   50.761  370.896   78.997  350.620   66.248  163.708   19.721  161.347   16.683 2.361450 25.83081 
1 1 1   27   20    0 o  257.260   37.898  1131.72  236.173  1131.72  236.173   0.0000   0.0000  257.260   37.898  ?   ?  0.000000 37.89808 
1 1 1   27   20    1 o  134.873   17.510  247.527   57.581  239.872   59.600  354.803  223.107  132.079   18.584  124.197   48.926 7.882233 52.33701 
1 1 1   27   20    2 o   91.201   20.670  118.307   45.988  129.099   47.149 -92.7898  208.522   95.513   20.388   77.719   37.279 17.79379 42.48963 
1 1 1   27   20    3 o  106.540   19.016  157.303   48.737  130.362   49.975  680.909  220.322   95.531   21.471  186.345   47.273 -90.81377 51.92045 
1 1 1   27   20    4 o  181.945   16.024  440.701   72.063  398.895   75.750  839.020  233.818  171.720   17.929  212.344   45.466 -40.62418 48.87362 
1 1 1   27   20    5 o  126.974   18.431  220.233   56.733  226.588   59.084  145.104  203.155  128.497   18.985   99.545   43.413 28.95144 47.38233 
1 1 1   27   20    6 o   39.666   17.485  -5.3483   33.758  -2.0912   34.308 -104.5030  189.291   40.897   17.838   74.777   35.775 -33.88079 39.97528 
1 1 1   27   20    7 o   55.015   20.943   33.013   39.847   29.021   40.775  117.711  187.821   53.878   21.007   95.806   41.763 -41.92781 46.74877 
1 1 1   27   20    8 o   59.847   21.317   45.180   40.139   32.633   40.964  347.004  200.917   55.250   21.187  129.971   47.505 -74.72125 52.01523 
1 1 1   27   20    9 o   98.149   20.761  135.563   49.295  125.638   51.037  273.575  190.314   93.746   22.153  118.581   45.620 -24.83541 50.71439 
1 1 1   27   20   10 f  165.357   16.913  365.812   68.856  366.164   73.584  363.328  195.256  164.585   18.209  133.960   47.088 30.62505 50.48588 
1 1 1   27   20   11 o  127.753   18.626  222.728   57.674  218.840   60.774  257.949  182.928  125.821   20.013  116.412   44.740 9.408707 49.01243 
1 1 1   27   20   12 o   84.412   22.385  102.294   47.956  108.331   49.915   29.878  172.877   86.716   22.762   84.191   38.147 2.525543 44.42233 
1 1 1   27   20   13 o   44.000   18.984   1.7153   38.007  -3.7491   38.962  109.174  172.778   43.023   18.880   93.480   40.404 -50.45681 44.59734 
1 1 1   27   20   14 o   56.678   22.157   32.807   45.455   32.807   45.455   0.0000   0.0000   56.678   22.157  ?   ?  0.000000 22.15721 
1 1 1   27   20   15 o   49.302   17.335   29.721   26.464  212.827  177.824   25.574   26.762  108.156   43.329   47.359   17.333 60.79700 46.66783 
1 1 1   27   20   16 o   87.759   18.314  106.839   38.838   90.474  182.021  107.620   39.753   91.170   40.375   87.925   18.681 3.244934 44.48709 
1 1 1   27   20   17 o   71.809   15.935   70.643   27.828   74.091   49.859   69.083   33.539   72.335   23.819   70.221   18.767 2.114120 30.32372 
1 1 1   27   20   18 o  112.838   13.258  167.778   36.647  185.971   60.394  157.175   46.104  114.075   21.998  106.954   17.894 7.120239 28.35708 
1 1 1   27   20   19 o   76.924   16.138   81.249   30.011   48.156   54.040   96.007   36.087   63.481   24.336   83.018   17.931 -19.53681 30.22909 
1 1 1   27   20   20 o  152.508   12.967  305.082   48.916  296.003   76.224  311.439   63.782  144.184   21.855  151.445   17.168 -7.260941 27.79208 
1 1 1   27   21    0 o  266.538   38.540  1256.71  249.075  1256.71  249.075   0.0000   0.0000  266.538   38.540  ?   ?  0.000000 38.54041 
1 1 1   27   21    1 o  122.641   42.758  307.981  160.839  307.981  160.839   0.0000   0.0000  122.641   42.758  ?   ?  0.000000 42.75779 
1 1 1   27   21    2 o   68.853   20.973   67.515   39.310   66.005   39.946  113.795  221.128   68.169   21.208   93.819   42.755 -25.65052 47.72642 
1 1 1   27   21    3 o  119.382   18.962  197.808   54.639  200.600   56.322  153.148  225.233  119.919   19.476   98.427   44.161 21.49167 48.26510 
1 1 1   27   21    4 o   44.853   18.497   12.513   33.526   11.860   33.958   37.632  210.659   44.843   18.565   87.284   40.481 -42.44101 44.53549 
1 1 1   27   21    5 o   89.152   20.936  113.656   45.815  105.461   46.899  284.835  214.342   85.411   21.888  115.283   47.065 -29.87148 51.90607 
1 1 1   27   21    6 o   78.873   21.812   89.595   44.403   85.874   45.511  163.251  202.497   77.152   22.339  100.199   43.523 -23.04730 48.92156 
1 1 1   27   21    7 o  167.701   19.315  386.129   79.410  377.019   85.037  448.213  221.993  164.195   21.237  140.884   50.136 23.31085 54.44875 
1 1 1   27   21    8 o   48.161   19.610   17.077   37.085   17.729   37.721  -1.7551  202.806   48.653   19.790   84.116   39.249 -35.46330 43.95611 
1 1 1   27   21    9 o  111.133   19.655  171.873   52.551  160.423   54.408  331.011  202.838  106.413   21.219  124.865   47.320 -18.45159 51.85938 
1 1 1   27   21   10 o   82.845   21.999   98.805   46.277   84.844   47.695  323.202  191.216   76.752   23.041  125.107   46.244 -48.35531 51.66577 
1 1 1   27   21   11 o   38.233   17.210 -12.3366   34.521 -13.4473   35.188   16.131  178.144   38.362   17.312   82.620   37.923 -44.25859 41.68762 
1 1 1   27   21   12 o  169.008   16.944  383.750   70.550  395.945   75.513  300.014  197.876  170.970   17.955  120.319   46.453 50.65086 49.80263 
1 1 1   27   21   13 o   97.417   21.475  135.461   50.835  133.837   52.888  155.172  184.266   96.324   22.409   99.046   42.246 -2.721474 47.82177 
1 1 1   27   21   14 o  120.487   21.429  205.262   62.112  205.262   62.112   0.0000   0.0000  120.487   21.429  ?   ?  0.000000 21.42897 
1 1 1   27   21   15 o  106.160   42.915  208.857  176.159  208.857  176.159   0.0000   0.0000  106.160   42.915  ?   ?  0.000000 42.91533 
1 1 1   27   21   16 o  135.223   38.575  326.252  136.646  327.672  191.601  324.781  194.937  124.251   46.218  123.277   46.468 0.9735260 65.53901 
1 1 1   27   21   17 o  170.820   17.458  395.446   73.424  362.494   79.230  595.887  195.407  161.502   20.079  176.143   44.430 -14.64114 48.75613 
1 1 1   27   21   18 o   94.252   14.267  118.927   32.530  115.435   54.432  120.867   40.573   88.127   24.059   93.256   18.075 -5.128883 30.09226 
1 1 1   27   21   19 o  210.255   12.622  577.208   65.963  553.244   97.842  597.176   89.312  199.538   19.901  210.044   17.178 -10.50635 26.28936 
1 1 1   27   22    0 o   77.466   35.094   47.655  146.240   47.655  146.240   0.0000   0.0000   77.466   35.094  ?   ?  0.000000 35.09435 
1 1 1   27   22    1 o  127.131   43.956  355.347  169.814  355.347  169.814   0.0000   0.0000  127.131   43.956  ?   ?  0.000000 43.95646 
1 1 1   27   22    2 o   79.458   34.265   74.550  123.696   29.443  146.639  185.825  230.316   76.463   34.835   98.330   44.339 -21.86681 56.38645 
1 1 1   27   22    3 o   78.727   21.110   90.214   42.352   86.847   43.096  185.194  228.889   77.108   21.548   99.107   44.489 -21.99941 49.43213 
1 1 1   27   22    4 o   54.850   20.278   36.479   36.772   34.306   37.295  112.286  220.313   54.128   20.340   92.655   42.398 -38.52721 47.02458 
1 1 1   27   22    5 o   42.936   18.067   8.0411   32.942   9.6383   33.339 -57.6930  213.881   43.660   18.261   79.181   37.920 -35.52124 42.08817 
1 1 1   27   22    6 o   92.687   37.041  140.386  129.604  223.483  161.069 -12.2251  218.280  107.163   41.760   83.226   39.416 23.93702 57.42402 
1 1 1   27   22    7 f  149.952   20.988  316.763   76.439  316.763   76.439   0.0000   0.0000  149.952   20.988  ?   ?  0.000000 20.98825 
1 1 1   27   22    8 o  132.076   19.856  243.458   63.463  226.133   66.422  425.017  215.020  125.797   21.942  135.498   49.202 -9.700584 53.87260 
1 1 1   27   22    9 o  112.112   19.558  175.764   52.764  169.723   54.528  264.645  209.148  109.441   20.711  111.799   46.162 -2.357910 50.59526 
1 1 1   27   22   10 o  161.534   17.078  352.852   67.844  344.826   71.403  427.401  217.607  158.756   18.349  135.959   49.477 22.79688 52.77007 
1 1 1   27   22   11 o   77.324   21.827   86.398   43.990   86.393   45.110   86.499  198.684   77.226   22.206   90.653   41.002 -13.42691 46.62865 
1 1 1   27   22   12 o   48.726   19.703   19.107   37.143   20.446   37.863 -15.1026  191.424   49.479   19.933   80.463   37.734 -30.98372 42.67548 
1 1 1   27   22   13 o   83.128   22.295  100.613   47.234  108.399   48.773 -16.9534  189.517   86.218   22.437   79.976   37.519 6.242386 43.71561 
1 1 1   27   22   14 o  192.363   17.723  502.416   84.177  536.841   90.473  280.573  229.669  198.191   18.494  112.635   47.566 85.55619 51.03444 
1 1 1   27   22   15 f  132.401   46.614  381.439  191.403  381.439  191.403   0.0000   0.0000  132.401   46.614  ?   ?  0.000000 46.61411 
1 1 1   27   22   16 o  110.145   38.927  225.367  133.606  326.582  185.281  115.721  192.841  122.934   45.504   92.444   41.212 30.48962 61.39314 
1 1 1   27   22   17 o   62.648   22.767   51.202   46.055   50.112   47.562   67.589  184.444   62.525   23.073   86.292   39.218 -23.76723 45.50142 
1 1 1   27   22   18 o  150.137   18.861  312.265   69.153  344.126   74.151   99.531  191.603  157.356   19.273   89.731   40.454 67.62482 44.81031 
1 1 1   27   22   19 o  136.310   19.971  261.578   65.962  248.959   70.240  355.829  191.962  131.233   22.227  124.576   46.277 6.657120 51.33781 
1 1 1   27   23    0 f   98.873   39.924  212.829  152.269  212.829  152.269   0.0000   0.0000   98.873   39.924  ?   ?  0.000000 39.92403 
1 1 1   27   23    1 o   88.733   37.936  141.699  149.207  141.699  149.207   0.0000   0.0000   88.733   37.936  ?   ?  0.000000 37.93567 
1 1 1   27   23    2 o  125.895   43.220  353.957  164.028  353.957  164.028   0.0000   0.0000  125.895   43.220  ?   ?  0.000000 43.21978 
1 1 1   27   23    3 o  105.581   19.597  159.224   49.767  150.825   50.773  364.988  251.315  102.007   20.641  113.129   48.813 -11.12153 52.99719 
1 1 1   27   23    4 o   75.192   21.138   82.903   41.343   69.539   41.983  511.462  237.752   69.147   21.780  136.192   51.321 -67.04470 55.75178 
1 1 1   27   23    5 o  128.467   50.986  459.922  243.968   0.0000   0.0000  459.922  243.968  ?   ?   128.467   50.986 0.000000 50.98616 
1 1 1   27   23    6 o   38.990   17.115  -2.7589   32.037  -2.7589   32.037   0.0000   0.0000   38.990   17.115  ?   ?  0.000000 17.11516 
1 1 1   27   23    7 o   47.478   19.217   18.479   35.367   19.778   35.828 -31.0469  221.265   48.125   19.389   80.841   38.676 -32.71589 43.26445 
1 1 1   27   23    8 o  140.932   20.235  280.047   69.172  288.636   72.621  196.018  227.143  142.467   21.046  100.389   44.743 42.07831 49.44577 
1 1 1   27   23    9 o  111.311   21.208  177.867   56.798  179.168   58.754  159.294  221.933  111.238   21.931   96.965   43.643 14.27316 48.84326 
1 1 1   27   23   10 o   65.706   21.877   60.526   42.017   56.165   42.852  169.158  213.883   63.984   22.084   97.982   43.560 -33.99808 48.83812 
1 1 1   27   23   11 o   42.956   18.515   2.9710   36.081  -3.9634   36.628  229.991  209.574   41.325   18.215  105.065   44.940 -63.74029 48.49118 
1 1 1   27   23   12 o  134.215   18.635  249.554   60.772  257.304   63.441  163.210  211.748  135.893   19.232   97.442   43.330 38.45023 47.40627 
1 1 1   27   23   13 o   66.351   21.936   61.977   42.272   47.843   43.200  380.478  205.070   60.770   22.056  127.311   47.724 -66.54070 52.57442 
1 1 1   27   23   14 o   97.363   21.323  137.110   50.407  127.306   51.953  294.475  208.145   92.998   22.594  113.400   46.348 -20.40176 51.56170 
1 1 1   27   23   15 o   90.665   40.006  119.073  177.150  119.073  177.150   0.0000   0.0000   90.665   40.006  ?   ?  0.000000 40.00640 
1 1 1   27   23   16 o  100.400   38.876  188.141  138.900  497.546  187.536 -187.8505  206.732  153.548   45.596   69.679   34.240 83.86924 57.02051 
1 1 1   27   23   17 o  137.430   19.344  264.539   64.550  244.136   68.142  442.921  201.483  130.178   21.728  137.281   47.857 -7.102768 52.55796 
1 1 1   27   23   18 o  157.486   17.969  342.110   69.402  296.590   73.558  711.118  209.434  144.078   21.067  186.653   45.374 -42.57501 50.02631 
1 1 1   27   24    1 o   80.722   36.110   99.994  149.405   99.994  149.405   0.0000   0.0000   80.722   36.110  ?   ?  0.000000 36.10976 
1 1 1   27   24    2 o  112.005   42.365  301.756  162.393  301.756  162.393   0.0000   0.0000  112.005   42.365  ?   ?  0.000000 42.36538 
1 1 1   27   24    3 o   88.969   38.175  149.526  152.088  149.526  152.088   0.0000   0.0000   88.969   38.175  ?   ?  0.000000 38.17527 
1 1 1   27   24    4 o   59.977   21.329   49.287   40.169   45.873   40.688  180.521  252.272   58.695   21.389   93.422   43.653 -34.72652 48.61144 
1 1 1   27   24    5 o   54.415   20.354   36.527   37.261   34.059   37.703  139.904  244.015   53.570   20.377   91.129   42.694 -37.55939 47.30743 
1 1 1   27   24    6 o   43.823   18.354   10.700   33.743   13.946   34.113 -136.3553  229.629   45.077   18.630   73.556   36.133 -28.47983 40.65340 
1 1 1   27   24    7 o   66.575   21.089   64.042   39.316   55.968   39.903  332.443  230.067   63.051   21.320  111.447   47.363 -48.39617 51.93998 
1 1 1   27   24    8 o  129.815   19.100  237.302   60.066  247.726   61.958   74.424  244.916  132.533   19.286   88.155   41.751 44.37710 45.99009 
1 1 1   27   24    9 o  107.977   21.575  170.054   56.140  158.833   57.801  356.890  235.863  103.253   23.006  115.025   48.369 -11.77223 53.56121 
1 1 1   27   24   10 o   80.294   22.056   95.561   45.582   88.452   46.477  274.859  233.404   77.102   22.647  106.172   46.411 -29.07048 51.64202 
1 1 1   27   24   11 o   72.401   22.364   77.050   44.507   81.827   45.449 -34.6641  219.785   74.394   22.527   79.497   38.169 -5.103653 44.32077 
1 1 1   27   24   12 o  180.454   17.294  445.856   76.976  441.610   81.189  483.615  242.103  178.496   18.482  131.848   51.249 46.64815 54.47977 
1 1 1   27   24   13 o   41.560   18.092   0.4350   35.145  -5.7478   35.639  218.947  211.872   40.151   17.819  101.109   44.208 -60.95728 47.66383 
1 1 1   27   24   14 o  157.639   17.800  342.784   68.844  335.149   72.206  419.096  228.273  154.801   19.083  125.174   49.433 29.62737 52.98827 
1 1 1   27   24   15 o  131.376   21.317  248.736   67.537  248.736   67.537   0.0000   0.0000  131.376   21.317  ?   ?  0.000000 21.31673 
1 1 1   27   24   16 o  129.950   46.575  403.054  191.904  403.054  191.904   0.0000   0.0000  129.950   46.575  ?   ?  0.000000 46.57546 
1 1 1   27   25    4 o  142.011   39.549  419.501  145.444  501.513  173.545  225.962  266.598  147.120   43.902   92.671   43.790 54.44860 62.00771 
1 1 1   27   25    5 o   85.703   21.326  110.554   45.457  114.456   46.188  -9.7238  256.446   87.202   21.376   79.564   38.896 7.638245 44.38311 
1 1 1   27   25    6 o  152.386   17.950  326.143   66.996  324.935   69.322  343.229  260.782  151.373   18.739  104.306   47.094 47.06714 50.68542 
1 1 1   27   25    7 o  127.582   18.549  230.559   57.366  233.472   59.019  180.701  244.141  128.002   19.044   92.361   43.085 35.64146 47.10633 
1 1 1   27   25    8 o  115.649   19.098  190.904   53.230  190.176   54.580  205.072  240.783  114.964   19.722   94.950   43.769 20.01450 48.00676 
1 1 1   27   25    9 o   47.515   19.294   19.437   35.776   22.042   36.170 -98.2858  243.165   48.578   19.513   75.976   37.294 -27.39821 42.09023 
1 1 1   27   25   10 o   68.452   22.272   69.008   43.641   58.060   44.346  405.534  245.859   64.024   22.444  115.596   49.036 -51.57195 53.92868 
1 1 1   27   25   11 f   40.511   17.760  -1.1630   34.402  -0.9383   34.776 -11.4381  235.160   40.772   17.866   80.418   38.830 -39.64575 42.74335 
1 1 1   27   25   12 o   98.928   20.943  143.405   50.126  149.583   51.310   14.144  234.693  101.041   21.020   82.072   39.415 18.96909 44.66936 
1 1 1   27   25   13 o   70.079   21.990   72.575   42.841   64.800   43.546  306.853  239.045   66.776   22.273  106.134   46.667 -39.35816 51.70936 
1 1 1   27   25   14 f  140.689   18.539  278.016   63.546  280.515   66.095  247.463  231.080  140.680   19.324  100.490   44.934 40.19013 48.91275 
1 1 1   28   -1    0 o   64.855   21.543   55.385   40.752   46.018  204.019   55.775   41.590   93.606   42.012   65.147   21.768 28.45920 47.31605 
1 1 1   28   -1    1 o   89.986   21.485  113.261   47.612  220.436  212.144  107.576   48.859  115.187   46.902   87.415   22.308 27.77122 51.93653 
1 1 1   28   -1    2 o  124.779   20.024  212.516   60.285  355.464  229.236  201.896   62.485  134.349   50.439  120.803   21.501 13.54623 54.83095 
1 1 1   28   -1    3 o  248.667   19.938  833.133  122.765  943.699  280.040  806.829  136.589  224.025   51.179  241.939   22.879 -17.91434 56.06003 
1 1 1   28   -1    4 o   85.833   22.353  104.351   48.385 -45.3444  221.023  111.886   49.587   86.471   40.550   88.872   22.362 -2.400810 46.30745 
1 1 1   28   -1    5 o  166.859   19.009  376.033   77.793  696.963  256.208  343.441   81.648  185.124   52.824  157.953   21.238 27.17072 56.93312 
1 1 1   28   -1    6 o   85.705   22.809  105.007   49.674   22.006  238.379  108.775   50.789   92.931   43.087   87.151   23.001 5.780495 48.84209 
1 1 1   28   -1    7 o  180.482   19.470  443.136   86.361  599.430  258.084  423.429   91.645  163.654   54.206  174.917   21.429 -11.26256 58.28798 
1 1 1   28   -1    8 o  208.677   22.082  606.726  113.324   0.0000   0.0000  606.726  113.324  ?   ?   208.677   22.082 0.000000 22.08234 
1 1 1   28    0    0 o  258.062   18.265  881.954  116.945  1492.05  266.862  736.946  130.102  314.655   34.530  232.203   22.729 82.45201 41.33913 
1 1 1   28    0    1 o  171.327   18.235  390.916   76.817  655.201  228.121  357.115   81.582  191.615   47.825  162.321   20.590 29.29460 52.06913 
1 1 1   28    0    2 o   92.416   21.509  119.242   48.707   65.826  206.939  122.374   50.115   96.075   42.772   93.510   21.854 2.564674 48.03152 
1 1 1   28    0    3 o  216.868   19.739  632.013  105.729  491.412  243.375  664.722  117.385  155.680   52.653  220.980   21.546 -65.29953 56.89108 
1 1 1   28    0    4 o  162.964   19.591  358.726   78.128  279.849  237.705  368.279   82.724  122.666   49.759  164.515   20.587 -41.84942 53.84965 
1 1 1   28    0    5 o   97.124   21.996  132.729   52.110 -162.2505  219.760  150.303   53.640   78.283   37.733  103.780   21.408 -25.49786 43.38303 
1 1 1   28    0    6 o   84.678   22.248  101.607   47.656   99.572  227.668  101.701   48.736   99.803   44.615   84.609   22.627 15.19405 50.02509 
1 1 1   28    0    7 o  127.291   20.172  222.790   61.982  386.293  243.678  211.479   64.090  134.305   51.633  123.138   21.632 11.16730 55.98129 
1 1 1   28    0    8 o  275.687   20.058  1032.86  137.139  1393.77  299.212  936.886  154.301  282.253   43.876  257.780   24.255 24.47223 50.13422 
1 1 1   28    0    9 f  107.230   21.698  162.572   56.107  368.735  241.401  150.799   57.686  129.031   50.873  102.423   23.104 26.60818 55.87363 
1 1 1   28    0   10 f  129.881   21.078  236.072   66.019  253.303  254.990  234.835   68.350  112.517   48.857  128.922   22.021 -16.40497 53.59050 
1 1 1   28    0   11 o   63.110   22.195   52.515   43.382  265.897  258.764   46.344   44.005  112.109   48.941   60.855   22.234 51.25479 53.75448 
1 1 1   28    1    0 o  277.972   19.356  1028.16  133.523  1276.82  271.059  948.489  153.429  285.239   39.082  263.055   23.608 22.18335 45.65905 
1 1 1   28    1    1 o  152.950   18.627  312.612   69.675  388.737  210.421  303.237   73.840  144.598   48.959  149.735   20.269 -5.136353 52.98838 
1 1 1   28    1    2 o  132.649   19.435  237.588   62.470  172.058  210.454  243.919   65.418  109.595   45.864  134.064   20.165 -24.46866 50.10135 
1 1 1   28    1    3 o  118.094   19.460  189.325   55.387  545.760  216.079  164.258   57.302  173.091   48.206  108.730   21.862 64.36145 52.93164 
1 1 1   28    1    4 o  147.417   19.840  294.114   71.180   89.133  219.750  318.142   75.237   99.838   44.280  153.217   20.153 -53.37848 48.65060 
1 1 1   28    1    5 o  105.646   20.825  154.412   52.988  252.551  223.056  148.543   54.549  119.395   48.282  103.093   21.867 16.30113 53.00287 
1 1 1   28    1    6 o   48.366   19.600   16.592   36.840  127.564  223.921   13.505   37.349  103.282   45.295   47.572   19.560 55.71075 49.33800 
1 1 1   28    1    7 o   98.631   21.745  136.714   52.117   39.431  220.057  142.495   53.643   93.431   42.607  100.639   21.962 -7.207848 47.93388 
1 1 1   28    1    8 o  130.737   19.993  234.303   63.198  317.980  233.042  227.660   65.659  125.557   49.831  128.117   21.269 -2.560539 54.18040 
1 1 1   28    1    9 o  137.886   20.206  261.408   67.512  222.018  233.298  265.008   70.529  111.871   47.622  138.301   21.089 -26.42997 52.08253 
1 1 1   28    1   10 o   59.580   21.745   43.253   42.078  110.020  240.544   41.145   42.737   99.384   45.018   58.945   21.847 40.43857 50.03898 
1 1 1   28    1   11 o  117.393   21.412  194.170   60.457  192.840  246.613  194.255   62.360  106.383   47.059  116.963   22.162 -10.57915 52.01634 
1 1 1   28    1   12 o  149.642   19.758  309.437   72.027  772.695  275.216  275.374   74.629  180.966   55.564  139.371   22.187 41.59532 59.83004 
1 1 1   28    2    0 o  130.333   19.201  228.518   60.620  154.663  199.637  236.019   63.624  107.445   44.792  132.158   19.895 -24.71331 49.01147 
1 1 1   28    2    1 o  102.820   19.828  144.344   49.065  318.145  193.831  132.445   50.717  133.742   46.921   97.783   21.367 35.95963 51.55724 
1 1 1   28    2    2 o  166.164   18.752  368.422   76.450  319.668  214.495  375.517   81.823  132.264   48.960  167.049   20.013 -34.78539 52.89260 
1 1 1   28    2    3 o  143.833   18.575  276.849   65.157  427.436  212.972  261.298   68.439  151.348   49.198  138.776   20.353 12.57214 53.24228 
1 1 1   28    2    4 f  209.185   18.152  580.616   93.883  898.620  235.210  520.351  102.393  234.882   41.625  195.834   21.280 39.04866 46.74900 
1 1 1   28    2    5 o   66.928   21.215   60.383   39.784  428.452  212.085   46.959   40.503  150.438   49.105   61.264   21.451 89.17410 53.58620 
1 1 1   28    2    6 o   38.228   16.882  -6.7821   31.609  105.062  204.492  -9.5197   31.993   99.724   43.521   37.714   16.802 62.00989 46.65185 
1 1 1   28    2    7 o  116.900   20.552  188.055   57.805  205.347  226.215  186.846   59.790  112.635   47.367  116.077   21.416 -3.442299 51.98294 
1 1 1   28    2    8 o  113.285   20.427  177.053   55.662  370.525  220.999  163.949   57.516  135.993   49.805  108.106   22.052 27.88677 54.46841 
1 1 1   28    2    9 o  130.345   19.910  232.695   62.751  242.628  227.376  231.876   65.286  115.594   47.963  129.559   20.890 -13.96547 52.31464 
1 1 1   28    2   10 o  114.114   20.170  180.167   55.374  713.714  243.425  151.052   56.864  190.247   50.425  102.979   22.722 87.26749 55.30788 
1 1 1   28    2   11 o  164.665   19.373  369.745   78.138  498.433  252.516  356.118   82.171  147.248   53.342  160.411   21.019 -13.16335 57.33389 
1 1 1   28    2   12 o   76.898   22.821   84.805   46.990 -99.2059  243.482   91.924   47.890   83.091   39.966   79.866   22.855 3.224586 46.03955 
1 1 1   28    2   13 o   65.865   22.689   58.751   45.224   35.762  258.670   59.476   45.931   92.496   43.531   66.242   22.863 26.25354 49.17013 
1 1 1   28    3    0 o   99.551   20.036  135.559   48.085  211.679  186.045  130.110   49.777  115.595   44.927   97.062   21.135 18.53278 49.65035 
1 1 1   28    3    1 o  281.357   20.700  1060.55  144.416  864.624  266.919  1141.64  171.721  221.417   49.516  288.607   24.046 -67.18991 55.04563 
1 1 1   28    3    2 o  109.999   19.546  164.282   51.723  212.910  189.559  160.371   53.763  115.541   45.226  108.174   20.656 7.367622 49.71981 
1 1 1   28    3    3 o  158.757   19.092  337.288   74.172  134.271  204.843  367.922   79.572  104.890   44.636  165.583   19.626 -60.69323 48.76018 
1 1 1   28    3    4 o   84.234   21.320   98.759   44.887   11.455  196.712  103.555   46.104   89.692   40.661   86.209   21.491 3.482231 45.99139 
1 1 1   28    3    5 o  147.910   19.128  293.932   68.996  169.378  205.430  309.768   73.251  108.834   45.409  151.503   19.838 -42.66891 49.55385 
1 1 1   28    3    6 o   94.110   21.257  123.309   48.777 -11.8122  201.967  131.678   50.265   87.706   40.302   97.308   21.278 -9.601707 45.57464 
1 1 1   28    3    7 o  114.512   20.401  179.995   56.201 -28.6290  213.164  195.580   58.262   87.574   40.653  119.551   20.238 -31.97714 45.41190 
1 1 1   28    3    8 o   94.124   21.179  123.763   48.577  285.025  216.348  115.202   49.850  123.687   48.343   90.357   22.242 33.32958 53.21463 
1 1 1   28    3    9 o  135.290   19.940  249.817   65.346  425.971  232.227  234.671   68.097  143.829   51.269  130.051   21.736 13.77797 55.68595 
1 1 1   28    3   10 o  217.846   18.437  636.099   99.357  1154.46  266.041  552.081  107.107  261.039   42.257  200.207   21.775 60.83229 47.53685 
1 1 1   28    3   11 f  163.856   19.155  364.395   76.899  484.277  246.852  351.510   80.926  147.918   52.845  159.818   20.768 -11.89948 56.77905 
1 1 1   28    3   12 o   66.785   21.983   60.884   42.471 -142.3209  232.848   67.877   43.196   79.741   38.536   69.824   22.103 9.917152 44.42474 
1 1 1   28    3   13 o   78.007   22.422   87.323   46.000  150.602  239.449   84.898   46.873  101.869   45.631   76.923   22.785 24.94596 51.00345 
1 1 1   28    4    0 o   81.014   21.281   90.917   43.610 -236.0465  176.836  112.090   45.000   66.432   32.439   90.220   20.446 -23.78794 38.34483 
1 1 1   28    4    1 o  501.945   24.855  3453.26  311.547  4025.62  481.852  3042.11  408.393  511.924   37.963  447.175   36.902 64.74835 52.94287 
1 1 1   28    4    2 o  146.516   17.309  284.095   62.106  758.338  202.540  234.877   65.249  221.020   38.071  131.558   20.532 89.46175 43.25452 
1 1 1   28    4    3 o   83.540   20.526   96.460   42.513  263.335  195.953   88.217   43.550  123.992   46.618   79.742   21.417 44.24994 51.30203 
1 1 1   28    4    4 o  173.171   17.801  397.254   75.882  560.582  206.114  371.645   81.615  180.257   45.720  166.176   20.074 14.08017 49.93320 
1 1 1   28    4    5 o  160.344   18.448  342.805   72.521  473.612  216.010  326.189   76.989  159.873   49.249  155.333   20.336 4.540131 53.28267 
1 1 1   28    4    6 o  171.373   18.665  392.084   78.585  354.732  212.785  397.983   84.564  137.581   49.072  171.814   20.089 -34.23346 53.02486 
1 1 1   28    4    7 f   69.203   21.152   65.390   39.934  159.295  197.952   61.406   40.772  106.516   44.520   67.487   21.486 39.02982 49.43370 
1 1 1   28    4    8 o   46.045   18.731   13.901   33.796 -19.4802  203.133   14.851   34.273   86.795   40.077   46.614   18.899 40.18041 44.30944 
1 1 1   28    4    9 o   84.166   21.313   99.348   44.841  269.018  216.648   91.754   45.833  121.192   48.063   80.742   22.091 40.45044 52.89702 
1 1 1   28    4   10 o  116.648   20.329  187.383   57.064  170.897  224.607  188.520   59.000  107.508   46.267  116.645   21.029 -9.136703 50.82196 
1 1 1   28    4   11 o   56.346   20.892   36.416   39.088 -32.8639  217.451   38.729   39.735   86.259   40.377   57.436   21.106 28.82335 45.56073 
1 1 1   28    4   12 o   74.571   21.753   78.394   43.010  144.131  226.803   75.942   43.805  102.737   45.303   73.480   22.086 29.25675 50.40046 
1 1 1   28    4   13 o  112.285   20.703  176.178   55.911  315.659  240.312  168.196   57.488  121.783   49.790  108.998   21.881 12.78481 54.38618 
1 1 1   28    4   14 f  171.661   19.028  402.221   80.193  810.086  275.199  364.373   83.832  189.954   54.913  161.631   21.288 28.32358 58.89451 
1 1 1   28    5    0 o   34.134   15.266  -9.8399   26.688 -203.9095  166.428  -4.7180   27.037   66.014   32.061   35.931   15.749 30.08231 35.72076 
1 1 1   28    5    1 o  361.045   20.753  1742.39  186.320  2044.63  318.089  1584.53  229.886  370.134   34.824  335.855   27.656 34.27905 44.46947 
1 1 1   28    5    2 o  117.036   18.485  183.873   52.229  383.175  182.029  165.992   54.522  148.919   45.081  110.201   20.569 38.71822 49.55191 
1 1 1   28    5    3 o   47.833   18.669   20.234   32.228   70.035  178.055   18.547   32.769   94.059   40.834   47.427   18.729 46.63275 44.92479 
1 1 1   28    5    4 o   91.158   20.169  114.325   44.697  249.753  189.941  106.385   45.988  121.710   45.870   87.543   21.251 34.16665 50.55363 
1 1 1   28    5    5 o  141.275   18.524  266.851   63.776  253.659  201.805  268.315   67.221  121.917   46.957  141.128   19.603 -19.21091 50.88445 
1 1 1   28    5    6 o  130.376   19.508  229.633   61.562   16.623  197.782  252.483   64.779   90.339   40.880  136.811   19.514 -46.47274 45.29837 
1 1 1   28    5    7 o  106.963   20.043  156.635   51.569  475.925  206.509  135.400   53.257  161.517   47.820   98.383   22.204 63.13412 52.72401 
1 1 1   28    5    8 o   86.857   20.908  105.049   44.804  241.942  203.975   98.109   45.925  118.586   46.761   83.690   21.769 34.89547 51.57942 
1 1 1   28    5    9 o   61.097   20.324   48.691   36.268 -104.0152  200.194   53.873   36.878   79.257   37.597   63.563   20.455 15.69408 42.80140 
1 1 1   28    5   10 o  116.955   19.494  186.692   54.929  412.199  217.229  171.288   56.774  144.484   49.730  111.071   21.243 33.41387 54.07688 
1 1 1   28    5   11 o   65.724   21.286   58.269   39.888   8.2831  219.050   59.983   40.567   90.368   41.688   66.552   21.457 23.81513 46.88620 
1 1 1   28    5   12 o   73.357   21.928   75.405   43.269  447.675  235.902   62.445   44.016  144.871   51.669   67.841   22.382 77.02956 56.30861 
1 1 1   28    5   13 o   95.661   21.700  129.712   50.647 -120.8749  227.359  142.796   51.953   80.630   38.741  100.665   21.330 -20.03550 44.22499 
1 1 1   28    5   14 o  160.762   18.840  351.634   74.200  670.668  258.017  322.871   77.473  173.736   53.876  152.591   20.879 21.14493 57.78020 
1 1 1   28    5   15 o  124.683   21.175  218.510   63.570   0.0000   0.0000  218.510   63.570  ?   ?   124.683   21.175 0.000000 21.17466 
1 1 1   28    6    0 o   85.273   20.201  100.116   42.357   1.9413  169.973  106.616   43.736   84.766   38.169   88.002   20.314 -3.235573 43.23817 
1 1 1   28    6    1 o  317.276   19.746  1338.13  155.669  1472.17  270.851  1272.01  190.227  313.281   35.233  303.477   25.333 9.804016 43.39478 
1 1 1   28    6    2 o   93.520   19.695  119.630   44.542  148.937  173.635  117.566   46.085  104.867   42.532   92.408   20.506 12.45916 47.21723 
1 1 1   28    6    3 o  128.378   18.070  219.950   56.327  426.254  188.959  199.830   59.009  156.755   45.556  121.326   20.186 35.42931 49.82829 
1 1 1   28    6    4 o   54.380   19.476   34.674   33.550 -10.7009  178.785   36.330   34.156   84.828   38.575   55.293   19.667 29.53485 43.29937 
1 1 1   28    6    5 o  169.886   16.283  378.839   68.232  343.451  200.652  383.466   72.556  137.872   47.775  170.408   17.290 -32.53679 50.80726 
1 1 1   28    6    6 o  153.072   13.206  303.007   49.984  245.863   76.347  345.873   66.126  132.674   23.924  162.070   16.572 -29.39635 29.10293 
1 1 1   28    6    7 o   77.029   17.319   80.611   32.505   53.501   56.193   94.245   39.849   67.328   25.032   82.715   19.593 -15.38702 31.78881 
1 1 1   28    6    8 o   91.815   16.331  112.927   36.072   66.020   59.779  139.786   45.235   72.037   25.976  101.513   18.527 -29.47572 31.90602 
1 1 1   28    6    9 o   41.251   16.709   10.994   26.761   25.283   51.241   5.6345   31.381   57.016   23.112   41.929   17.638 15.08635 29.07290 
1 1 1   28    6   10 o  120.993   14.491  192.152   42.912  196.986   71.085  189.380   53.826  117.327   25.025  118.186   18.873 -0.8587036 31.34410 
1 1 1   28    6   11 o   92.413   16.834  115.286   37.417   81.006   64.669  132.537   45.876   77.194   27.101   98.163   19.403 -20.96875 33.33063 
1 1 1   28    6   12 o   97.211   16.217  126.870   37.980  115.750   65.742  132.440   46.531   88.876   27.134   97.864   19.721 -8.988121 33.54422 
1 1 1   28    6   13 o   69.654   19.036   67.263   34.055   67.685   62.828   67.088   40.525   72.288   26.543   69.546   21.316 2.742287 34.04280 
1 1 1   28    6   14 o  166.798   13.713  363.544   56.612  366.524   90.726  361.644   72.447  161.174   23.211  163.791   18.010 -2.616547 29.37866 
1 1 1   28    6   15 o   56.427   20.429   38.809   37.028  582.327  252.486   26.863   37.432  159.047   53.631   51.870   20.154 107.1769 57.29248 
1 1 1   28    7    0 o   96.793   19.941  128.204   46.597 -113.9981  166.214  148.862   48.543   72.640   34.400  104.759   19.266 -32.11880 39.42788 
1 1 1   28    7    1 f  279.807   19.001  1037.27  131.980  1116.91  242.734  1003.85  157.257  270.440   36.906  271.238   23.448 -0.7988281 43.72486 
1 1 1   28    7    2 o  186.120   17.775  457.623   81.611  464.769  193.895  456.085   89.969  163.996   45.661  184.596   19.828 -20.60036 49.78058 
1 1 1   28    7    3 o   70.038   19.720   66.985   35.953  348.171  179.364   55.214   36.698  141.742   45.058   64.431   20.371 77.31171 49.44915 
1 1 1   28    7    4 o  115.476   14.408  174.399   40.643  145.872   63.037  194.695   53.170  101.254   25.065  120.569   18.229 -19.31495 30.99221 
1 1 1   28    7    5 o  295.704   13.292  1123.07   98.155  1120.34  143.600  1125.46  134.472  289.768   19.967  291.703   18.557 -1.934052 27.25873 
1 1 1   28    7    6 f  221.906   12.883  633.546   71.080  625.679  105.970  639.980   95.838  216.228   19.847  220.283   17.568 -4.054749 26.50576 
1 1 1   28    7    7 o  148.996   13.373  287.540   49.229  218.008   75.470  339.036   64.949  123.973   25.236  160.472   16.440 -36.49866 30.11845 
1 1 1   28    7    8 o  102.691   14.777  139.018   36.804  137.411   60.646  139.955   46.305   98.092   24.757  101.416   18.982 -3.323563 31.19617 
1 1 1   28    7    9 o   39.906   16.310   9.0331   25.776 -13.6969   49.320   17.575   30.234   46.423   20.758   45.724   18.011 0.6987000 27.48286 
1 1 1   28    7   10 o  114.263   14.856  171.947   41.386  156.991   66.537  181.384   52.854  104.219   25.722  115.623   18.963 -11.40377 31.95688 
1 1 1   28    7   11 o  127.918   14.120  214.127   44.351  207.408   71.759  218.281   56.416  120.583   24.663  127.280   18.274 -6.697067 30.69498 
1 1 1   28    7   12 f   96.269   16.532  124.675   38.312   54.891   64.411  162.881   47.660   69.055   26.546  109.660   18.031 -40.60485 32.09113 
1 1 1   28    7   13 o   51.440   18.363   31.552   29.802   59.002   59.167   22.221   34.498   69.032   25.682   49.231   19.287 19.80010 32.11822 
1 1 1   28    7   14 o   53.948   18.871   36.141   31.343   39.236   62.445   35.099   36.239   63.848   25.642   54.862   20.157 8.985992 32.61601 
1 1 1   28    7   15 f  168.517   22.908  399.982   93.901  399.982   93.901   0.0000   0.0000  168.517   22.908  ?   ?  0.000000 22.90756 
1 1 1   28    7   16 o   47.379   18.319   22.077   30.807   57.055   61.522   10.371   35.591   68.190   26.008   45.311   18.903 22.87933 32.15168 
1 1 1   28    8    0 o  229.022   18.760  695.648  106.350  533.007  204.267  756.130  124.564  175.565   46.028  236.876   21.285 -61.31116 50.71177 
1 1 1   28    8    1 o  232.154   17.226  708.154   99.153  1149.63  225.059  601.826  110.450  279.269   32.903  211.232   21.226 68.03737 39.15572 
1 1 1   28    8    2 o  165.569   15.912  358.973   64.980  484.392  184.654  341.246   69.420  170.092   43.347  160.574   17.601 9.518814 46.78420 
1 1 1   28    8    3 o   66.037   17.432   59.136   29.169   79.827   53.148   50.217   34.893   76.385   24.553   61.823   19.897 14.56185 31.60317 
1 1 1   28    8    4 o  196.993   12.781  499.204   62.534  460.263   92.670  531.762   84.735  184.998   20.399  201.100   17.033 -16.10263 26.57513 
1 1 1   28    8    5 o  229.748   12.744  678.365   72.830  599.554  106.235  748.250  100.038  211.329   20.384  238.814   16.884 -27.48535 26.46779 
1 1 1   28    8    6 o  231.514   12.503  688.268   72.014  664.367  106.723  708.249   97.577  223.226   19.336  232.215   16.944 -8.989914 25.70981 
1 1 1   28    8    7 o  252.237   13.055  818.988   81.947  835.888  121.484  804.878  111.004  250.218   19.599  246.643   18.150 3.575302 26.71247 
1 1 1   28    8    8 o  147.550   13.266  281.999   48.357  247.676   74.494  306.994   63.571  133.435   23.198  152.300   17.005 -18.86469 28.76362 
1 1 1   28    8    9 o  105.088   14.743  145.525   37.625  126.185   61.306  157.211   47.655   93.681   25.516  107.849   18.352 -14.16851 31.42994 
1 1 1   28    8   10 o   48.171   17.437   26.362   26.976   11.582   52.146   31.762   31.522   53.615   22.654   52.271   18.860 1.343941 29.47752 
1 1 1   28    8   11 o   70.402   17.888   67.935   31.513   33.841   56.192   83.577   38.061   61.030   24.390   77.663   19.619 -16.63292 31.30134 
1 1 1   28    8   12 o  144.597   13.933  272.882   49.688  218.382   78.232  309.732   64.329  122.651   26.329  152.475   17.195 -29.82455 31.44703 
1 1 1   28    8   13 o  171.526   13.610  382.877   57.816  360.564   90.574  398.221   75.109  160.443   23.287  172.614   17.674 -12.17049 29.23419 
1 1 1   28    8   14 o  120.071   18.779  196.564   54.461 -20.2955  232.396  209.166   56.021   88.775   41.614  123.983   18.673 -35.20876 45.61190 
1 1 1   28    8   15 o   54.154   18.843   36.747   31.230   31.621   59.177   38.726   36.766   60.763   24.760   56.449   20.369 4.314640 32.06128 
1 1 1   28    8   16 o   94.108   16.780  120.464   37.988  116.095   68.191  122.430   45.743   87.970   27.763   93.311   20.215 -5.340973 34.34321 
1 1 1   28    9    0 o  288.664   19.234  1107.27  137.854  1126.15  242.904  1098.30  167.429  270.853   36.871  282.909   23.923 -12.05685 43.95224 
1 1 1   28    9    1 o  185.849   16.636  453.734   76.393  798.115  195.368  391.576   83.001  229.646   35.189  170.792   19.830 58.85440 40.39217 
1 1 1   28    9    2 o  136.541   13.493  241.758   45.404  256.671   70.677  231.279   59.246  137.143   21.331  131.400   18.573 5.743423 28.28358 
1 1 1   28    9    3 o  176.869   12.677  402.665   55.620  383.365   82.524  418.730   75.291  168.912   19.950  178.230   17.127 -9.317352 26.29329 
1 1 1   28    9    4 o  161.430   12.277  335.140   49.120  309.221   74.409  355.158   65.393  151.366   20.189  164.520   16.124 -13.15405 25.83764 
1 1 1   28    9    5 o   67.537   17.381   61.965   29.485   11.320   50.150   88.721   36.451   52.913   22.279   80.590   18.503 -27.67690 28.96101 
1 1 1   28    9    6 o  250.167   12.427  801.383   77.630  764.083  113.703  833.953  106.247  239.574   19.166  252.006   16.982 -12.43149 25.60724 
1 1 1   28    9    7 o  286.522   12.677  1052.64   90.703  976.367  132.188  1120.51  124.688  270.389   19.713  292.004   17.175 -21.61511 26.14563 
1 1 1   28    9    8 o  183.920   12.711  435.859   58.023  369.290   87.230  488.687   77.707  164.387   21.786  192.934   16.281 -28.54761 27.19745 
1 1 1   28    9    9 o  116.117   14.124  176.443   40.112  131.722   63.396  206.299   51.799   95.556   25.914  124.430   17.124 -28.87415 31.06060 
1 1 1   28    9   10 o   71.104   17.453   69.023   30.761   80.922   54.463   63.450   37.275   76.509   24.880   68.121   20.351 8.388573 32.14276 
1 1 1   28    9   11 o  121.226   13.885  192.132   41.275  211.345   67.774  180.805   52.039  122.834   22.939  115.521   18.677 7.313065 29.58029 
1 1 1   28    9   12 o   80.586   17.076   88.369   33.295   84.104   58.995   90.363   40.332   77.743   25.924   80.554   20.111 -2.811478 32.81075 
1 1 1   28    9   13 o  153.612   14.203  308.492   53.865  163.840   86.941  398.609   68.623  103.364   31.126  173.763   15.994 -70.39869 34.99450 
1 1 1   28    9   14 o   63.694   25.044   42.174   58.356   42.174   58.356   0.0000   0.0000   63.694   25.044  ?   ?  0.000000 25.04443 
1 1 1   28    9   15 o   74.714   18.377   77.405   34.049   36.754   61.283   95.559   40.952   62.817   25.341   82.519   20.067 -19.70189 32.32405 
1 1 1   28    9   16 o   34.248   15.133  -5.6072   25.435 -30.1584   56.045   0.7612   28.544   45.957   21.160   38.353   16.500 7.604259 26.83216 
1 1 1   28    9   17 o  151.670   14.071  302.691   52.686  276.276   86.865  318.063   66.266  136.594   26.421  153.350   17.625 -16.75615 31.76036 
1 1 1   28   10    0 o  206.528   16.503  559.872   84.402  937.063  196.024  474.031   93.514  252.425   31.804  187.628   20.281 64.79640 37.71998 
1 1 1   28   10    1 o  165.322   17.054  360.930   69.394  517.153  187.370  336.095   74.707  175.564   43.064  158.293   19.299 17.27095 47.19103 
1 1 1   28   10    2 o  123.997   13.467  199.826   41.030  158.221   62.479  231.373   54.406  105.760   24.183  132.136   16.873 -26.37577 29.48803 
1 1 1   28   10    3 o  277.907   12.481  989.150   86.619  953.799  125.740  1021.08  119.495  268.030   18.907  278.737   17.252 -10.70654 25.59550 
1 1 1   28   10    4 o  123.796   13.896  199.672   42.216  123.789   63.818  258.717   56.294   92.837   26.319  140.036   16.409 -47.19955 31.01562 
1 1 1   28   10    5 o   29.669   13.323  -8.7441   20.548  -0.3546   43.123 -11.2085   23.372   46.562   20.155   31.198   14.091 15.36315 24.59209 
1 1 1   28   10    6 o  192.363   12.314  475.528   58.840  440.072   87.405  504.912   79.570  181.128   19.639  196.135   16.396 -15.00697 25.58360 
1 1 1   28   10    7 o  173.520   12.903  388.462   55.509  321.497   82.738  443.274   74.855  152.958   22.318  183.598   16.503 -30.63911 27.75734 
1 1 1   28   10    8 o   84.792   15.735   96.205   32.091  117.755   54.795   84.956   39.590   91.103   23.818   78.353   20.127 12.75011 31.18328 
1 1 1   28   10    9 o  159.056   13.163  327.439   51.813  256.416   78.283  382.806   69.118  135.159   24.076  170.442   16.443 -35.28311 29.15570 
1 1 1   28   10   10 o   62.751   17.844   53.421   29.288   33.149   51.695   63.004   35.543   59.495   23.515   67.841   19.770 -8.346874 30.72123 
1 1 1   28   10   11 o   84.198   16.504   95.708   33.461   67.101   57.350  110.472   41.200   71.768   25.489   89.681   18.988 -17.91364 31.78443 
1 1 1   28   10   12 o  101.803   15.445  137.800   38.031   64.719   61.456  183.157   48.416   71.546   26.254  116.927   17.086 -45.38161 31.32431 
1 1 1   28   10   13 o   62.156   18.358   52.515   30.464   33.280   58.361   59.720   35.717   61.356   24.737   66.052   19.963 -4.696171 31.78767 
1 1 1   28   10   14 o  199.594   13.254  517.027   65.687  537.406  101.193  502.186   86.353  198.240   20.749  193.602   18.070 4.638306 27.51447 
1 1 1   28   10   15 o   45.267   17.219   20.674   26.922   33.856   56.172   16.742   30.675   60.564   24.321   45.349   18.054 15.21522 30.28952 
1 1 1   28   10   16 o   70.778   18.460   69.636   32.967  135.553   61.467   43.015   39.061   95.897   25.301   58.739   21.017 37.15773 32.89164 
1 1 1   28   10   17 o  169.353   13.572  375.356   56.914  340.463   90.645  398.065   73.125  153.768   24.423  172.067   17.251 -18.29976 29.90081 
1 1 1   28   11    0 o   88.566   19.361  107.765   41.625  -8.7689  169.636  115.231   42.938   82.581   37.562   91.646   19.368 -9.064636 42.26133 
1 1 1   28   11    1 o  185.124   17.335  453.124   79.206  542.162  195.251  435.586   86.656  178.092   44.129  180.124   19.581 -2.031708 48.27781 
1 1 1   28   11    2 f  162.235   12.400  339.006   49.855  340.688   74.545  337.644   67.058  159.398   19.109  159.769   17.072 -0.3715363 25.62402 
1 1 1   28   11    3 o   95.740   14.501  120.865   33.583   82.213   53.006  146.785   43.407   77.107   24.493  104.670   17.205 -27.56265 29.93166 
1 1 1   28   11    4 o  163.294   12.026  342.770   48.693  314.547   73.020  365.370   65.343  152.850   19.581  166.891   15.870 -14.04141 25.20424 
1 1 1   28   11    5 o   94.201   14.168  116.817   32.296  145.533   53.509  100.362   40.506  102.365   21.611   85.434   19.425 16.93115 29.05838 
1 1 1   28   11    6 o  121.424   13.653  192.066   40.680  123.141   62.350  243.152   53.679   92.555   25.937  135.741   16.153 -43.18577 30.55553 
1 1 1   28   11    7 o   89.366   15.605  106.513   33.557   95.795   55.555  112.670   42.107   82.381   24.897   90.671   19.195 -8.289879 31.43747 
1 1 1   28   11    8 o  124.799   13.873  203.164   42.504  178.371   66.445  220.337   55.299  112.083   24.429  128.379   17.722 -16.29613 30.18027 
1 1 1   28   11    9 f  196.914   12.688  499.773   62.058  451.243   92.143  540.059   83.953  182.515   20.576  202.425   16.759 -19.91028 26.53734 
1 1 1   28   11   10 o   39.240   15.815   10.279   23.844  -0.1792   47.259   13.850   27.617   48.480   21.042   42.859   17.109 5.620853 27.11978 
1 1 1   28   11   11 o  137.703   13.389  246.620   45.457  212.258   70.766  270.759   59.313  122.466   23.998  142.681   16.980 -20.21429 29.39779 
1 1 1   28   11   12 o   86.640   19.468  103.859   41.093   0.0000   0.0000  103.859   41.093  ?   ?    86.640   19.468 0.000000 19.46771 
1 1 1   28   11   13 o  129.254   22.495  233.767   69.971  233.767   69.971   0.0000   0.0000  129.254   22.495  ?   ?  0.000000 22.49525 
1 1 1   28   11   14 o  186.171   13.285  450.153   61.357  339.089   93.295  534.807   81.451  154.037   25.120  201.048   16.366 -47.01134 29.98054 
1 1 1   28   11   15 o   83.752   17.689   96.302   35.837   28.654   62.784  128.993   43.645   61.214   25.285   96.800   18.733 -35.58545 31.46830 
1 1 1   28   11   16 o  121.718   22.743  210.396   66.585  213.779   73.443  194.777  157.804  121.185   25.095  106.405   41.371 14.77982 48.38717 
1 1 1   28   11   17 o   94.261   25.207  131.511   60.486  106.636   66.010  261.759  151.046   84.718   27.377  119.083   41.440 -34.36515 49.66705 
1 1 1   28   12    0 o  181.421   16.672  434.389   74.687  711.708  194.423  386.381   80.894  211.630   38.195  169.384   19.479 42.24594 42.87510 
1 1 1   28   12    1 o  134.910   17.018  241.978   56.058  403.484  181.989  225.048   58.923  150.682   44.956  129.187   18.818 21.49501 48.73524 
1 1 1   28   12    2 o  236.722   12.244  719.795   72.133  685.802  104.487  750.748   99.704  226.968   18.598  238.857   16.823 -11.88947 25.07819 
1 1 1   28   12    3 o   75.776   15.900   77.367   29.127  103.345   49.254   63.396   36.119   85.664   22.671   68.101   19.954 17.56242 30.20160 
1 1 1   28   12    4 o  189.419   12.406  461.758   58.360  409.147   85.602  507.449   79.774  174.142   20.051  196.468   16.410 -22.32571 25.90992 
1 1 1   28   12    5 o  134.108   12.821  232.873   42.414  202.111   64.561  256.231   56.257  120.669   22.245  139.165   16.510 -18.49545 27.70230 
1 1 1   28   12    6 o   88.877   15.494  105.341   33.138   43.560   52.722  145.686   42.605   63.134   24.077  104.306   16.938 -41.17171 29.43810 
1 1 1   28   12    7 o   60.179   17.200   48.849   27.140  -8.2558   46.936   77.533   33.265   46.446   20.539   75.292   17.946 -28.84595 27.27472 
1 1 1   28   12    8 o  146.294   12.886  277.003   46.594  195.544   70.428  340.410   62.137  117.161   24.843  160.999   15.653 -43.83784 29.36269 
1 1 1   28   12    9 o  105.582   14.268  146.558   36.656  109.300   58.840  170.189   46.859   87.296   25.436  112.719   17.192 -25.42358 30.70106 
1 1 1   28   12   10 o   71.430   16.834   69.475   29.536   97.440   52.129   56.253   35.845   82.854   23.884   64.543   20.092 18.31100 31.21133 
1 1 1   28   12   11 o  100.998   15.354  135.526   37.504   98.914   60.661  158.181   47.717   83.205   26.176  107.990   18.351 -24.78467 31.96789 
1 1 1   28   12   12 o  142.593   20.015  277.225   69.306  299.269   76.138  170.657  167.404  147.452   21.295  104.905   42.036 42.54759 47.12202 
1 1 1   28   12   13 o   61.926   23.519   43.130   50.179   40.553   52.918   66.109  158.022   61.845   23.982   88.035   38.343 -26.18956 45.22541 
1 1 1   28   12   14 o   86.861   25.070  109.507   57.401  101.275   62.110  157.699  150.277   83.624   26.508  100.986   40.036 -17.36182 48.01600 
1 1 1   28   12   15 o   66.343   24.479   54.760   53.533   19.774   57.313  294.072  149.897   57.174   23.931  128.293   41.234 -71.11874 47.67584 
1 1 1   28   12   16 f   95.762   25.716  135.641   62.795  151.406   68.697   55.534  154.853  100.604   26.846   84.795   37.411 15.80889 46.04644 
1 1 1   28   12   17 o   92.630   26.061  128.004   62.820   88.574   68.265  346.040  160.526   78.843   27.830  136.004   42.548 -57.16057 50.84123 
1 1 1   28   13    0 o   49.584   18.030   27.984   28.890  292.919  170.197   20.124   29.316  127.951   44.019   46.262   17.875 81.68856 47.51007 
1 1 1   28   13    1 o   74.445   19.143   76.535   35.788  113.480  169.962   74.821   36.609   96.961   40.931   73.544   19.584 23.41783 45.37506 
1 1 1   28   13    2 o  435.310   14.289  2453.80  155.331  2468.16  220.583  2439.67  218.772  428.366   20.621  425.967   20.567 2.399200 29.12402 
1 1 1   28   13    3 o  159.232   12.346  327.052   48.710  301.805   72.584  347.739   65.701  149.163   19.989  162.270   16.441 -13.10641 25.88157 
1 1 1   28   13    4 o  154.468   12.179  307.577   46.597  288.384   69.873  322.950   62.533  145.963   19.671  156.446   16.243 -10.48293 25.51040 
1 1 1   28   13    5 o  113.164   13.262  166.940   36.766  135.793   56.806  189.392   48.229   97.789   23.545  119.263   16.648 -21.47429 28.83579 
1 1 1   28   13    6 o   80.399   15.631   86.785   30.253   70.158   49.993   96.391   38.000   71.975   23.858   83.821   18.637 -11.84617 30.27439 
1 1 1   28   13    7 o   64.992   17.154   57.510   28.248   2.3385   47.690   87.328   35.059   49.305   21.269   79.897   18.004 -30.59189 27.86566 
1 1 1   28   13    8 o   44.405   16.476   20.921   24.320  -8.3803   45.361   32.742   28.811   45.566   20.168   51.868   18.096 -6.302223 27.09641 
1 1 1   28   13    9 o   97.434   14.631  125.558   34.498   78.850   55.823  154.418   43.880   75.713   25.216  107.321   16.935 -31.60724 30.37518 
1 1 1   28   13   10 o  100.720   14.944  134.392   36.447   86.021   58.217  165.571   46.740   78.438   25.733  110.940   17.447 -32.50143 31.09062 
1 1 1   28   13   11 o  139.607   45.052  357.193  178.800   0.0000   0.0000  357.193  178.800  ?   ?   139.607   45.052 0.000000 45.05207 
1 1 1   28   13   12 o  100.201   26.159  146.989   66.160  146.989   66.160   0.0000   0.0000  100.201   26.159  ?   ?  0.000000 26.15947 
1 1 1   28   13   13 o   58.412   23.143   32.283   50.183   28.663   53.222   61.287  150.663   58.337   23.587   86.147   37.481 -27.81065 44.28490 
1 1 1   28   13   14 o   50.614   21.712   6.0702   49.175  -2.3089   51.814   82.094  156.072   49.767   21.808   89.374   38.515 -39.60714 44.26048 
1 1 1   28   13   15 o  114.753   22.913  187.331   63.361  143.333   68.646  440.504  164.669   97.953   27.132  158.521   41.214 -60.56802 49.34341 
1 1 1   28   13   16 o   52.420   17.966   34.747   28.340   11.308   55.541   42.998   32.953   54.288   23.176   57.432   19.375 -3.143829 30.20765 
1 1 1   28   13   17 o   85.797   16.983  100.813   35.098   79.517   64.686  109.699   41.783   75.648   27.049   88.518   19.435 -12.87010 33.30668 
1 1 1   28   14    0 o  149.574   46.165  418.891  189.701  418.891  189.701   0.0000   0.0000  149.574   46.165  ?   ?  0.000000 46.16522 
1 1 1   28   14    1 o  126.707   45.406  296.401  182.380  296.401  182.380   0.0000   0.0000  126.707   45.406  ?   ?  0.000000 45.40586 
1 1 1   28   14    2 o  326.213   13.041  1371.56  106.234  1294.41  150.029  1449.14  150.448  310.552   19.444  329.906   18.334 -19.35419 26.72465 
1 1 1   28   14    3 o   98.323   14.040  127.377   33.494  120.063   53.103  132.209   43.162   91.852   23.157   98.573   18.205 -6.720543 29.45670 
1 1 1   28   14    4 o  181.251   12.070  423.032   54.320  372.128   79.544  467.516   74.358  165.914   19.576  188.506   15.946 -22.59279 25.24828 
1 1 1   28   14    5 o  123.021   13.138  196.996   39.737  180.087   61.197  209.323   52.252  113.374   22.410  125.127   17.175 -11.75366 28.23471 
1 1 1   28   14    6 o   68.714   16.436   64.215   27.824   42.509   47.885   75.278   34.187   61.268   23.043   73.933   18.548 -12.66582 29.58067 
1 1 1   28   14    7 o   87.709   14.991  102.502   31.654  118.165   52.414   93.509   39.715   91.207   23.013   82.130   19.631 9.076187 30.24883 
1 1 1   28   14    8 o   82.282   16.285   91.429   32.278   48.002   52.955  117.102   40.716   64.398   24.230   92.624   18.252 -28.22599 30.33531 
1 1 1   28   14    9 o   67.582   16.905   62.340   28.458   60.319   49.635   63.330   34.734   67.999   23.750   67.859   19.477 0.1393356 30.71535 
1 1 1   28   14   10 o   97.322   23.965  135.815   57.854  135.407   62.059  138.521  159.906   96.565   25.396   99.221   40.596 -2.655693 47.88555 
1 1 1   28   14   11 o  148.255   20.088  299.921   72.456  245.234   78.570  610.838  187.344  130.919   24.944  191.245   40.490 -60.32596 47.55617 
1 1 1   28   14   12 o  109.801   23.282  171.492   61.856  183.156   66.720  100.132  165.022  112.947   24.371   93.397   39.912 19.55000 46.76412 
1 1 1   28   14   13 o   65.920   23.926   54.693   50.839   44.359   53.747  142.505  156.673   63.135   24.255   98.696   40.260 -35.56097 47.00151 
1 1 1   28   14   14 o  126.165   13.815  208.790   42.814  181.571   70.239  224.882   54.007  111.313   25.776  129.387   17.137 -18.07362 30.95293 
1 1 1   28   14   15 o  126.853   14.402  212.171   44.812  119.728   70.794  273.977   57.886   89.455   28.294  143.227   16.485 -53.77183 32.74620 
1 1 1   28   14   16 o   71.471   17.593   70.669   31.188   9.0696   56.242   98.023   37.478   53.976   23.189   84.090   18.362 -30.11379 29.57882 
1 1 1   28   14   17 o  156.035   13.382  318.611   51.640  324.619   81.897  314.645   66.533  151.700   22.283  152.437   17.814 -0.7366791 28.52830 
1 1 1   28   14   18 o  109.796   15.788  162.182   42.043   51.204   70.522  223.372   52.366   68.178   27.296  128.637   16.695 -60.45982 31.99713 
1 1 1   28   15    0 f   81.276   36.812   12.304  160.797   12.304  160.797   0.0000   0.0000   81.276   36.812  ?   ?  0.000000 36.81197 
1 1 1   28   15    1 o  203.128   42.509  711.240  208.706  711.240  208.706   0.0000   0.0000  203.128   42.509  ?   ?  0.000000 42.50936 
1 1 1   28   15    2 o  141.184   18.704  269.768   64.321  281.067   67.910  171.278  200.505  143.734   19.417  105.606   44.512 38.12764 48.56261 
1 1 1   28   15    3 o   58.071   21.349   39.604   40.662   31.362   41.689  200.752  184.336   55.324   21.333  109.586   44.040 -54.26197 48.93501 
1 1 1   28   15    4 o   82.604   15.323   91.566   30.445   51.129   48.497  117.868   39.112   64.308   23.364   93.150   17.456 -28.84151 29.16496 
1 1 1   28   15    5 o   80.956   14.848   87.671   28.911   94.346   47.372   83.710   36.495   81.592   22.515   77.762   18.964 3.829636 29.43737 
1 1 1   28   15    6 o  220.642   11.896  626.148   65.301  676.845   95.818  582.182   89.232  225.979   17.106  209.426   17.215 16.55351 24.26885 
1 1 1   28   15    7 o  129.226   12.773  216.963   40.680  235.111   63.238  204.152   53.132  131.130   19.940  123.121   17.798 8.008461 26.72781 
1 1 1   28   15    8 o  173.132   12.617  387.677   54.173  326.692   79.971  439.392   73.643  154.000   21.371  182.299   16.351 -28.29887 26.90880 
1 1 1   28   15    9 o   69.997   16.900   66.986   29.206   20.230   49.626   91.762   36.125   54.703   22.526   81.699   18.176 -26.99638 28.94409 
1 1 1   28   15   10 o   80.399   36.727  -6.0773  164.394   0.0000   0.0000  -6.0773  164.394  ?   ?    80.399   36.727 0.000000 36.72656 
1 1 1   28   15   11 o   90.245   25.516  118.770   60.066  118.770   60.066   0.0000   0.0000   90.245   25.516  ?   ?  0.000000 25.51645 
1 1 1   28   15   12 o  122.318   21.248  208.226   62.547  148.398   66.767  637.115  178.766  100.298   26.325  198.137   37.503 -97.83917 45.82043 
1 1 1   28   15   13 o  135.734   12.976  240.027   43.447  149.220   67.643  303.799   56.686  100.318   26.577  151.745   15.162 -51.42661 30.59815 
1 1 1   28   15   14 o   45.348   16.691   22.752   24.865  -4.4108   49.211   32.064   28.814   48.005   21.139   51.276   18.082 -3.271435 27.81790 
1 1 1   28   15   15 f   72.116   17.048   71.589   30.217   53.057   54.891   79.647   36.195   65.868   24.691   75.472   19.168 -9.604973 31.25825 
1 1 1   28   15   16 o  127.082   14.128  212.987   44.076  140.972   70.483  259.232   56.482   96.359   27.771  139.007   16.600 -42.64837 32.35397 
1 1 1   28   15   17 o   95.458   15.666  122.905   36.048   49.216   61.950  160.629   44.325   65.910   25.839  108.819   16.857 -42.90885 30.85137 
1 1 1   28   16    0 o   99.007   41.331  148.113  170.320  148.113  170.320   0.0000   0.0000   99.007   41.331  ?   ?  0.000000 41.33149 
1 1 1   28   16    1 o  127.228   45.372  313.817  181.902  313.817  181.902   0.0000   0.0000  127.228   45.372  ?   ?  0.000000 45.37239 
1 1 1   28   16    2 o   71.947   32.438  -2.1481  123.220 -14.5459  159.414   16.253  194.214   77.890   35.797   86.486   39.660 -8.596336 53.42622 
1 1 1   28   16    3 o  203.920   16.930  553.172   85.432  562.278   92.531  500.565  222.407  204.556   18.308  155.994   50.237 48.56247 53.46862 
1 1 1   28   16    4 o   77.934   22.295   86.120   45.582   86.628   47.014   78.165  186.114   78.094   22.732   92.378   40.872 -14.28387 46.76767 
1 1 1   28   16    5 o   42.954   18.550   0.5772   36.361   0.9616   37.127  -8.4516  179.940   43.476   18.760   82.451   37.944 -38.97541 42.32885 
1 1 1   28   16    6 o  268.000   12.478  925.115   83.505  936.266  119.905  914.613  116.363  264.526   18.264  261.773   17.908 2.753387 25.57870 
1 1 1   28   16    7 o   52.971   16.948   36.744   25.345  -5.7632   44.491   57.165   30.837   45.543   20.075   64.542   18.295 -18.99841 27.16072 
1 1 1   28   16    8 o  166.497   12.363  358.618   51.034  331.187   76.460  380.658   68.535  155.617   20.149  169.378   16.409 -13.76089 25.98515 
1 1 1   28   16    9 o  128.576   17.238  222.002   53.955   0.0000   0.0000  222.002   53.955  ?   ?   128.576   17.238 0.000000 17.23830 
1 1 1   28   16   10 o   66.967   23.991   57.736   50.914   57.736   50.914   0.0000   0.0000   66.967   23.991  ?   ?  0.000000 23.99131 
1 1 1   28   16   11 o   66.021   23.582   56.108   49.157   51.348   51.438  106.224  166.902   64.790   23.977   93.694   40.091 -28.90330 46.71417 
1 1 1   28   16   12 o  174.619   13.853  398.305   59.911  274.334   93.423  484.902   78.081  135.339   28.541  191.039   16.530 -55.70015 32.98240 
1 1 1   28   16   13 o   65.639   16.712   59.125   27.464   66.619   49.561   55.804   32.994   69.877   23.760   63.750   19.169 6.126717 30.52863 
1 1 1   28   16   14 o   68.597   17.182   64.872   29.370   14.056   52.477   88.050   35.441   53.791   22.728   79.702   18.206 -25.91044 29.12028 
1 1 1   28   16   15 o   80.277   15.916   87.606   30.778   71.770   54.832   94.891   37.190   72.116   24.975   82.619   18.488 -10.50270 31.07345 
1 1 1   28   16   16 o   69.445   17.589   66.911   30.537   21.634   54.493   87.638   36.870   56.301   23.430   79.104   18.919 -22.80321 30.11532 
1 1 1   28   16   17 o  164.329   12.784  352.308   52.048  384.465   82.087  330.688   67.308  166.666   20.131  156.277   17.551 10.38895 26.70752 
1 1 1   28   17    0 o  107.468   42.715  211.175  171.468  211.175  171.468   0.0000   0.0000  107.468   42.715  ?   ?  0.000000 42.71508 
1 1 1   28   17    1 o   83.566   37.713   36.441  167.024   36.441  167.024   0.0000   0.0000   83.566   37.713  ?   ?  0.000000 37.71323 
1 1 1   28   17    2 o  146.773   46.452  427.770  190.791  427.770  190.791   0.0000   0.0000  146.773   46.452  ?   ?  0.000000 46.45176 
1 1 1   28   17    3 o  120.409   19.830  200.464   57.549  205.545   59.876  138.861  208.470  121.599   20.444   99.860   43.752 21.73903 48.29244 
1 1 1   28   17    4 o   89.425   22.004  114.226   48.801  107.112   50.289  229.143  202.122   86.226   22.950  111.518   45.636 -25.29188 51.08193 
1 1 1   28   17    5 o  149.010   18.163  300.275   66.188  299.304   69.901  308.689  205.808  148.009   19.378  123.704   47.477 24.30501 51.27892 
1 1 1   28   17    6 o  154.414   17.300  319.874   65.564  288.595   69.073  604.506  208.362  145.239   19.540  179.678   46.185 -34.43900 50.14827 
1 1 1   28   17    7 o   96.043   21.162  130.133   49.386  117.451   51.158  303.727  189.274   90.496   22.682  124.701   46.025 -34.20535 51.31084 
1 1 1   28   17    8 o  100.585   14.217  133.979   34.715  109.807   54.929  150.056   44.795   86.923   24.339  105.011   17.712 -18.08874 30.10194 
1 1 1   28   17    9 o   60.064   22.282   42.834   44.472   43.444   45.957   33.852  176.425   60.661   22.621   85.601   38.684 -24.94061 44.81274 
1 1 1   28   17   10 o   72.324   23.626   72.999   49.092   70.866   51.164   97.757  174.275   71.660   24.142   92.742   40.331 -21.08166 47.00435 
1 1 1   28   17   11 o  131.650   21.013  241.204   66.759  226.165   71.611  341.042  184.505  125.718   23.679  131.764   45.804 -6.045464 51.56218 
1 1 1   28   17   12 o   57.858   17.116   45.439   26.463   20.970   48.731   55.674   31.515   54.240   22.327   63.586   18.641 -9.346127 29.08529 
1 1 1   28   17   13 o  150.895   13.309  297.559   49.636  235.112   75.381  345.358   65.951  127.416   24.582  160.682   16.679 -33.26591 29.70641 
1 1 1   28   17   14 o   85.981   15.236   99.621   31.517   79.326   54.429  109.858   38.656   74.784   24.899   89.235   17.969 -14.45080 30.70592 
1 1 1   28   17   15 o  145.481   13.071  276.749   46.977  238.352   72.795  304.153   61.497  128.751   23.507  150.537   16.637 -21.78563 28.79911 
1 1 1   28   17   16 o   91.857   15.243  113.668   33.739  111.332   58.721  114.819   41.222   86.461   25.473   90.730   18.812 -4.269081 31.66622 
1 1 1   28   17   17 o  115.853   14.039  177.934   39.787  170.266   65.447  182.430   50.109  107.071   24.941  115.283   17.994 -8.212105 30.75460 
1 1 1   28   18    0 o   90.210   39.359  105.018  167.151  105.018  167.151   0.0000   0.0000   90.210   39.359  ?   ?  0.000000 39.35885 
1 1 1   28   18    1 o   74.618   34.769 -27.3270  158.274 -27.3270  158.274   0.0000   0.0000   74.618   34.769  ?   ?  0.000000 34.76902 
1 1 1   28   18    2 o  178.051   45.020  604.687  200.288  604.687  200.288   0.0000   0.0000  178.051   45.020  ?   ?  0.000000 45.01963 
1 1 1   28   18    3 o  102.047   38.737  178.036  136.074  249.504  176.942   74.593  212.877  113.539   43.902   92.127   41.971 21.41135 60.73653 
1 1 1   28   18    4 o  147.195   17.946  293.976   64.601  276.444   67.467  487.284  224.027  141.637   19.600  148.648   50.516 -7.011139 54.18499 
1 1 1   28   18    5 o  130.371   19.125  233.522   60.412  234.050   62.963  227.394  214.410  129.959   20.046  109.795   46.140 20.16329 50.30660 
1 1 1   28   18    6 o   75.867   22.492   82.256   45.663   70.453   46.917  294.368  198.891   70.941   23.093  120.417   46.550 -49.47581 51.96303 
1 1 1   28   18    7 o  144.861   18.078  284.621   63.974  256.940   67.228  550.027  208.169  136.117   20.407  166.481   47.653 -30.36443 51.83850 
1 1 1   28   18    8 o   98.483   38.061  156.328  132.937  190.443  187.031  121.496  188.988  105.145   43.553   96.110   41.894 9.035126 60.43191 
1 1 1   28   18    9 o   45.654   19.764   1.4393   41.477   1.4393   41.477   0.0000   0.0000   45.654   19.764  ?   ?  0.000000 19.76418 
1 1 1   28   18   10 o   70.483   23.242   69.183   47.468   66.856   49.218  100.171  179.589   69.724   23.678   92.661   40.603 -22.93752 47.00219 
1 1 1   28   18   11 o  112.780   22.458  181.488   61.025  176.871   64.659  219.134  184.641  110.260   24.152  109.128   43.999 1.132187 50.19176 
1 1 1   28   18   12 o   47.672   16.781   27.573   24.806  -9.4020   47.106   41.760   29.179   45.713   20.375   56.068   18.210 -10.35576 27.32645 
1 1 1   28   18   13 o  231.986   13.025  700.578   75.149  645.101  109.885  749.323  103.003  216.109   20.612  236.044   17.601 -19.93478 27.10417 
1 1 1   28   18   14 o  104.530   14.063  145.010   35.778  122.997   58.765  157.976   45.100   90.981   25.065  107.602   17.376 -16.62098 30.49890 
1 1 1   28   18   15 o  179.387   13.302  421.109   59.165  340.567   88.774  485.472   79.358  153.718   23.903  190.081   16.895 -36.36336 29.27109 
1 1 1   28   18   16 o   51.870   16.976   35.375   25.339   80.323   49.919   19.773   29.410   74.575   23.777   45.694   17.834 28.88087 29.72226 
1 1 1   28   19    0 o   71.291   33.752 -52.6611  159.785 -52.6611  159.785   0.0000   0.0000   71.291   33.752  ?   ?  0.000000 33.75180 
1 1 1   28   19    1 f   70.019   33.312 -70.9211  159.390 -70.9211  159.390   0.0000   0.0000   70.019   33.312  ?   ?  0.000000 33.31157 
1 1 1   28   19    2 o  105.780   42.519  215.791  171.852  215.791  171.852   0.0000   0.0000  105.780   42.519  ?   ?  0.000000 42.51866 
1 1 1   28   19    3 o   98.849   41.330  167.360  170.688  167.360  170.688   0.0000   0.0000   98.849   41.330  ?   ?  0.000000 41.33030 
1 1 1   28   19    4 o  158.661   16.794  339.312   65.528  311.509   68.170  677.249  237.666  150.817   18.488  176.135   51.064 -25.31776 54.30732 
1 1 1   28   19    5 o  131.503   18.838  238.117   60.095  220.546   62.364  466.537  224.859  125.354   20.641  142.392   50.482 -17.03800 54.53857 
1 1 1   28   19    6 o   81.335   22.330   95.787   46.736   82.936   47.872  357.057  215.852   75.798   23.157  126.410   48.596 -50.61223 53.83168 
1 1 1   28   19    7 o  119.950   47.849  312.588  215.874   0.0000   0.0000  312.588  215.874  ?   ?   119.950   47.849 0.000000 47.84870 
1 1 1   28   19    8 o  155.374   18.827  330.457   71.558  330.457   71.558   0.0000   0.0000  155.374   18.827  ?   ?  0.000000 18.82733 
1 1 1   28   19    9 o  148.204   18.145  299.102   65.751  299.654   69.435  294.319  204.560  147.561   19.306  118.376   46.780 29.18510 50.60742 
1 1 1   28   19   10 o  138.870   20.463  268.762   68.836  263.961   73.218  305.309  202.023  136.350   22.273  120.250   46.794 16.09949 51.82459 
1 1 1   28   19   11 o  244.384   18.828  812.977  114.014  685.754  129.162  1261.96  242.642  218.827   24.032  277.471   35.857 -58.64484 43.16590 
1 1 1   28   19   12 o  116.067   13.568  177.768   38.583  117.534   59.676  221.031   50.575   88.646   25.555  128.227   16.153 -39.58127 30.23208 
1 1 1   28   19   13 o  140.952   13.771  261.751   47.853  164.526   72.513  336.759   63.691  103.543   27.558  158.426   16.333 -54.88310 32.03502 
1 1 1   28   19   14 o   97.555   14.472  127.294   34.186  126.347   57.107  127.823   42.679   92.223   24.414   95.869   18.497 -3.646400 30.62987 
1 1 1   28   19   15 o  308.112   13.605  1241.46  104.676  1237.83  151.977  1244.73  144.384  298.732   20.497  301.273   19.293 -2.540466 28.14820 
1 1 1   28   19   16 o  188.921   13.040  467.372   61.142  430.945   92.324  495.829   81.602  174.542   21.646  191.350   17.263 -16.80791 27.68738 
1 1 1   28   20    0 o  120.047   45.102  332.991  183.348  332.991  183.348   0.0000   0.0000  120.047   45.102  ?   ?  0.000000 45.10157 
1 1 1   28   20    1 o  111.611   43.688  272.331  176.891  272.331  176.891   0.0000   0.0000  111.611   43.688  ?   ?  0.000000 43.68841 
1 1 1   28   20    2 o  157.662   46.474  530.991  195.416  530.991  195.416   0.0000   0.0000  157.662   46.474  ?   ?  0.000000 46.47437 
1 1 1   28   20    3 o  131.920   46.171  385.717  187.632  385.717  187.632   0.0000   0.0000  131.920   46.171  ?   ?  0.000000 46.17125 
1 1 1   28   20    4 o   76.091   34.120   33.136  134.252  167.451  167.767 -206.0250  223.867   97.494   40.884   71.961   35.414 25.53302 54.08956 
1 1 1   28   20    5 o  136.005   18.013  253.932   59.672  237.782   61.616  497.879  239.473  130.580   19.493  140.644   51.794 -10.06406 55.34020 
1 1 1   28   20    6 o  101.946   22.268  150.769   55.103  140.720   56.853  306.546  223.846   97.619   23.586  115.676   47.759 -18.05708 53.26584 
1 1 1   28   20    7 o  173.205   17.429  407.045   74.362  395.641   78.286  512.338  237.878  169.669   18.792  144.589   51.852 25.07999 55.15212 
1 1 1   28   20    8 o   49.042   20.138   17.159   39.526   22.706   40.299 -123.3854  202.849   51.157   20.580   74.079   35.840 -22.92225 41.32882 
1 1 1   28   20    9 o  190.488   16.816  488.754   79.171  476.701   84.562  574.347  225.342  186.826   18.363  159.885   50.470 26.94102 53.70692 
1 1 1   28   20   10 o  126.637   19.837  223.954   60.671  227.219   63.487  189.569  206.003  126.971   20.739  102.147   44.134 24.82333 48.76370 
1 1 1   28   20   11 o   64.342   23.048   54.818   46.989   53.922   48.413   69.374  195.130   64.252   23.344   88.353   40.225 -24.10114 46.50817 
1 1 1   28   20   12 o  183.651   18.047  459.770   81.696  461.618   88.116  448.454  218.014  182.656   19.626  138.690   49.650 43.96617 53.38810 
1 1 1   28   20   13 o  131.552   19.965  242.136   63.526  215.106   66.810  496.980  205.144  121.948   22.777  150.764   48.216 -28.81631 53.32468 
1 1 1   28   20   14 o  140.050   19.455  272.885   66.201  259.830   69.976  384.186  204.320  135.184   21.445  129.523   47.817 5.661697 52.40521 
1 1 1   28   20   15 o  262.157   12.932  896.857   84.660  879.039  123.585  912.611  116.210  251.786   19.816  258.681   18.104 -6.895386 26.84050 
1 1 1   28   21    0 o  122.678   45.613  372.423  186.572  372.423  186.572   0.0000   0.0000  122.678   45.613  ?   ?  0.000000 45.61254 
1 1 1   28   21    1 o   66.701   32.153 -87.4261  159.657 -87.4261  159.657   0.0000   0.0000   66.701   32.153  ?   ?  0.000000 32.15323 
1 1 1   28   21    2 f   73.830   34.858 -19.9551  168.306 -19.9551  168.306   0.0000   0.0000   73.830   34.858  ?   ?  0.000000 34.85822 
1 1 1   28   21    3 o  160.297   47.740  578.690  205.364  578.690  205.364   0.0000   0.0000  160.297   47.740  ?   ?  0.000000 47.73995 
1 1 1   28   21    4 o  112.150   43.842  278.505  177.957  278.505  177.957   0.0000   0.0000  112.150   43.842  ?   ?  0.000000 43.84189 
1 1 1   28   21    5 o   60.348   21.784   47.779   42.062   49.921   42.756 -16.5336  234.254   61.306   21.983   82.912   39.701 -21.60635 45.38107 
1 1 1   28   21    6 o  114.349   19.757  184.750   54.375  162.161   55.772  618.814  244.480  105.624   21.865  155.699   52.772 -50.07515 57.12238 
1 1 1   28   21    7 o  144.394   18.398  288.121   64.831  277.447   67.125  436.329  250.119  140.757   19.631  126.979   51.205 13.77801 54.83925 
1 1 1   28   21    8 o  113.417   20.215  182.365   55.153  169.387   56.821  393.775  229.331  108.198   21.784  124.866   49.472 -16.66760 54.05575 
1 1 1   28   21    9 o   60.324   21.573   47.686   41.149   51.702   41.973 -51.5739  208.678   62.063   21.831   78.594   37.591 -16.53075 43.47012 
1 1 1   28   21   10 o  145.220   19.749  294.986   69.760  320.981   73.590   64.550  219.104  151.394   19.951   88.532   41.137 62.86156 45.72014 
1 1 1   28   21   11 o   44.684   19.226   4.3596   38.765  -0.8889   39.475  146.325  205.303   43.614   19.075   95.387   42.524 -51.77277 46.60637 
1 1 1   28   21   12 o  142.329   21.308  288.409   73.406  306.734   78.007  146.670  216.948  146.239   22.046   95.719   43.110 50.51949 48.41959 
1 1 1   28   21   13 o  115.852   21.100  192.152   58.795  187.245   61.249  249.724  209.796  113.420   22.420  107.069   45.352 6.351158 50.59064 
1 1 1   28   21   14 o  125.162   20.339  221.961   61.388  213.163   64.228  314.883  208.739  121.433   21.990  115.593   46.720 5.840485 51.63659 
1 1 1   28   22    3 o   99.150   42.082  218.575  181.212  218.575  181.212   0.0000   0.0000   99.150   42.082  ?   ?  0.000000 42.08159 
1 1 1   28   22    4 o   72.174   34.108 -21.2213  161.807 -21.2213  161.807   0.0000   0.0000   72.174   34.108  ?   ?  0.000000 34.10767 
1 1 1   28   22    5 o  104.344   40.509  227.789  151.117  253.026  184.963  177.125  262.070  105.222   43.426   95.494   44.578 9.728470 62.23343 
1 1 1   28   22    6 o   72.677   22.543   78.145   45.170   78.145   45.170   0.0000   0.0000   72.677   22.543  ?   ?  0.000000 22.54290 
1 1 1   28   22    7 o  132.354   18.926  245.731   60.772  221.589   62.622  636.332  251.887  124.109   20.952  151.550   53.462 -27.44129 57.42052 
1 1 1   28   22    8 o   54.790   20.886   35.047   39.664   32.314   40.263  124.833  230.750   53.964   20.921   92.010   42.565 -38.04649 47.42870 
1 1 1   28   22    9 f  158.498   17.677  345.880   68.772  333.867   71.742  481.997  241.493  154.635   18.977  131.842   51.202 22.79279 54.60535 
1 1 1   28   22   10 o  195.109   17.845  523.328   85.981  550.499   92.137  340.130  239.242  199.217   18.741  113.714   48.311 85.50336 51.81886 
1 1 1   28   22   11 o  153.567   19.845  332.237   74.323  310.165   78.116  543.149  241.473  146.468   22.040  141.473   52.023 4.994400 56.49907 
1 1 1   28   22   12 o   68.744   22.940   68.169   46.191   61.554   47.291  205.460  215.456   66.232   23.180   99.729   44.057 -33.49660 49.78293 
1 1 1   29    3    3 o  170.834   20.201  397.294   84.509   0.0000   0.0000  397.294   84.509  ?   ?   170.834   20.201 0.000000 20.20083 
1 1 1   29    3    4 o  248.888   20.253  840.385  124.788  867.877  288.973  834.083  138.353  203.973   55.330  245.346   22.844 -41.37335 59.86064 
1 1 1   29    3    5 o  199.299   18.749  534.877   92.216  858.252  267.663  491.324   98.230  209.027   51.592  189.113   21.163 19.91359 55.76366 
1 1 1   29    3    6 o   56.403   20.612   37.715   37.822  351.342  242.243   29.879   38.291  128.225   50.832   53.491   20.491 74.73450 54.80690 
1 1 1   29    3    7 o  105.911   21.597  158.288   55.185 -59.7304  245.336  169.906   56.636   86.835   41.317  109.933   21.401 -23.09736 46.53008 
1 1 1   29    3    8 o  105.764   20.929  157.248   53.320  375.918  254.823  147.236   54.527  128.162   51.683  101.631   22.113 26.53036 56.21548 
1 1 1   29    4    0 o   97.195   21.125  131.751   49.808   0.0000   0.0000  131.751   49.808  ?   ?    97.195   21.125 0.000000 21.12461 
1 1 1   29    4    1 o  143.228   18.611  276.208   64.993  370.882  217.925  266.965   68.092  137.229   49.578  139.987   20.051 -2.758148 53.47955 
1 1 1   29    4    2 o  170.307   19.462  391.765   81.284  119.279  224.177  433.012   87.219  102.178   45.050  178.857   19.863 -76.67910 49.23434 
1 1 1   29    4    3 o  225.042   19.177  680.438  106.740  741.979  253.936  667.230  117.638  195.736   51.322  220.770   21.615 -25.03461 55.68819 
1 1 1   29    4    4 o  102.873   20.972  147.501   52.049 -149.0193  216.732  165.649   53.618   78.248   37.654  109.475   20.363 -31.22677 42.80768 
1 1 1   29    4    5 o  106.772   20.972  158.850   53.923 -89.9729  226.865  173.749   55.514   83.542   39.744  111.972   20.613 -28.43028 44.77165 
1 1 1   29    4    6 o   92.858   21.558  121.773   49.030  -9.2009  228.936  128.069   50.194   89.447   41.725   95.256   21.599 -5.808968 46.98368 
1 1 1   29    4    7 o  196.045   19.568  521.961   94.516  457.894  257.714  531.917  101.595  141.795   53.433  196.746   21.003 -54.95065 57.41227 
1 1 1   29    4    8 o   96.347   20.983  130.805   49.053  421.141  247.043  118.889   50.050  136.600   52.113   91.229   22.184 45.37131 56.63810 
1 1 1   29    4    9 o  207.566   19.061  585.077   97.693  951.972  284.422  536.002  104.022  213.402   53.479  196.459   21.557 16.94356 57.66040 
1 1 1   29    5    0 o   97.936   20.737  133.221   49.137 -179.3479  198.203  153.689   50.720   73.455   35.511  105.738   19.940 -32.28353 40.72664 
1 1 1   29    5    1 o  189.294   18.397  478.893   85.865  541.540  225.321  468.250   92.874  167.520   50.032  185.833   20.346 -18.31320 54.01057 
1 1 1   29    5    2 o  111.670   19.187  170.046   51.577  414.226  218.998  155.707   53.070  144.712   49.924  106.007   20.790 38.70470 54.08046 
1 1 1   29    5    3 o  159.568   18.557  342.062   72.562  377.518  220.195  337.743   76.855  137.775   49.827  157.701   19.963 -19.92506 53.67700 
1 1 1   29    5    4 o   60.345   20.464   47.088   36.763  174.132  214.780   43.254   37.314  107.562   45.738   58.784   20.589 48.77821 50.15839 
1 1 1   29    5    5 o  163.952   19.128  363.184   76.841  213.678  236.203  380.879   81.262  112.676   47.940  167.490   19.813 -54.81352 51.87272 
1 1 1   29    5    6 o  118.511   19.647  192.577   56.106  269.799  227.801  187.590   57.890  119.187   48.574  116.399   20.673 2.787933 52.79029 
1 1 1   29    5    7 o  238.033   19.172  764.122  112.992  1111.96  281.565  697.354  123.361  247.167   47.342  224.456   22.304 22.71080 52.33288 
1 1 1   29    5    8 o   55.509   20.212   36.598   36.322   52.698  234.338   36.202   36.767   94.545   43.433   55.471   20.314 39.07353 47.94882 
1 1 1   29    5    9 o  198.447   18.858  533.147   92.331  836.353  272.833  493.930   98.121  199.432   53.623  189.120   21.138 10.31157 57.63855 
1 1 1   29    5   10 o   48.559   19.344   20.151   35.238   43.452  250.279   19.680   35.593   93.853   43.728   48.539   19.407 45.31394 47.84133 
1 1 1   29    6    0 o  214.160   18.312  611.502   96.993  738.945  229.896  583.905  106.980  204.743   46.078  207.243   20.960 -2.499771 50.62068 
1 1 1   29    6    1 o  149.072   18.234  297.925   66.464  326.750  203.904  294.498   70.303  131.344   47.879  147.454   19.577 -16.11063 51.72699 
1 1 1   29    6    2 o  107.063   19.284  156.676   49.660  186.031  202.101  154.790   51.231  109.209   45.258  106.034   20.083 3.175125 49.51426 
1 1 1   29    6    3 o  227.260   18.911  691.646  106.345  783.565  247.691  670.873  117.750  206.503   48.805  221.607   21.550 -15.10384 53.35081 
1 1 1   29    6    4 o   98.478   19.902  133.943   47.260  334.690  215.316  123.783   48.441  130.957   48.939   94.067   21.137 36.89035 53.30872 
1 1 1   29    6    5 o   73.248   20.954   74.759   40.263  264.627  216.644   67.967   40.976  119.604   47.858   70.156   21.423 49.44830 52.43385 
1 1 1   29    6    6 o  182.833   18.455  448.727   83.107  610.326  246.656  428.033   88.268  172.399   52.542  177.262   20.307 -4.862091 56.32945 
1 1 1   29    6    7 f  108.027   19.604  160.663   50.936  575.099  236.898  140.574   52.156  167.636   51.565   99.986   21.526 67.64980 55.87717 
1 1 1   29    6    8 o   82.510   21.029   96.056   43.455 -31.5518  223.196  101.084   44.303   86.719   40.693   84.643   21.049 2.076645 45.81428 
1 1 1   29    6    9 o  179.280   19.981  439.134   87.933  214.014  257.572  468.833   93.554  110.819   48.591  184.790   20.626 -73.97049 52.78691 
1 1 1   29    6   10 o   53.722   20.022   32.727   35.994  190.978  242.696   29.168   36.396  107.154   47.070   52.447   20.004 54.70680 51.14482 
1 1 1   29    6   11 o  121.718   19.898  205.364   58.389  325.434  256.648  198.810   59.962  120.793   50.606  119.121   20.921 1.671219 54.76035 
1 1 1   29    7    0 o  152.229   18.789  311.860   69.911   96.769  200.300  341.698   74.603   97.808   42.868  159.212   19.148 -61.40457 46.95041 
1 1 1   29    7    1 o  205.433   17.267  559.200   87.760  1033.45  228.926  477.496   95.020  256.663   36.768  187.450   20.641 69.21320 42.16568 
1 1 1   29    7    2 o   72.659   20.671   73.244   39.294 -51.6808  191.455   78.738   40.149   81.605   38.097   75.198   20.718 6.407593 43.36605 
1 1 1   29    7    3 o  168.895   18.010  381.137   74.787  466.658  212.269  369.017   79.911  155.670   48.964  165.078   19.779 -9.408127 52.80816 
1 1 1   29    7    4 o  115.108   19.291  180.755   53.490  141.114  206.851  183.596   55.373  103.283   44.425  115.741   19.874 -12.45853 48.66761 
1 1 1   29    7    5 o  115.078   19.564  181.223   54.208  132.678  212.421  184.604   56.065  102.430   44.535  115.900   20.100 -13.46997 48.86069 
1 1 1   29    7    6 o  165.647   18.167  367.980   73.914  524.214  230.864  350.137   78.021  160.959   51.114  160.467   19.897 0.4921265 54.85048 
1 1 1   29    7    7 o   83.251   20.924   97.427   43.451 -136.8192  218.682  107.055   44.335   79.089   37.999   87.405   20.642 -8.315681 43.24386 
1 1 1   29    7    8 o  103.135   20.149  147.608   50.032   62.360  224.153  152.077   51.327   95.008   43.200  104.607   20.381 -9.599113 47.76669 
1 1 1   29    7    9 o  122.933   19.850  207.997   58.859 -19.1964  231.728  223.666   60.855   88.522   41.515  127.629   19.731 -39.10630 45.96481 
1 1 1   29    7   10 o  108.320   20.060  162.992   52.262   86.783  231.889  167.070   53.642   96.788   43.982  109.537   20.360 -12.74904 48.46627 
1 1 1   29    7   11 o  136.807   19.592  257.349   65.020  297.424  256.808  254.604   67.210  118.232   50.133  135.495   20.505 -17.26290 54.16452 
1 1 1   29    8    0 f  183.788   17.284  448.538   78.394  725.250  209.260  403.363   84.551  208.267   41.691  172.502   19.999 35.76460 46.23929 
1 1 1   29    8    1 o  146.655   17.506  287.153   62.846  553.462  207.488  260.254   65.944  174.318   46.717  138.411   19.629 35.90695 50.67311 
1 1 1   29    8    2 o  104.092   19.125  148.169   47.880  272.320  197.111  140.384   49.359  122.119   46.559  100.724   20.325 21.39575 50.80160 
1 1 1   29    8    3 o  138.126   18.643  257.310   62.660  138.396  205.332  269.522   65.799  102.927   44.266  141.122   19.167 -38.19487 48.23767 
1 1 1   29    8    4 o   95.321   19.735  125.494   45.429  212.185  206.818  121.099   46.566  112.531   46.120   93.262   20.549 19.26897 50.49078 
1 1 1   29    8    5 o  144.963   18.360  282.751   64.975  271.436  211.254  283.933   68.285  120.887   47.613  144.691   19.386 -23.80404 51.40860 
1 1 1   29    8    6 o   75.128   20.251   78.700   38.854  209.930  202.246   73.671   39.591  111.561   45.651   72.730   20.769 38.83111 50.15393 
1 1 1   29    8    7 o  131.902   18.442  235.273   59.083  420.526  221.953  221.144   61.294  143.383   50.215  126.996   19.988 16.38704 54.04691 
1 1 1   29    8    8 f   73.436   20.790   75.448   39.848   92.785  216.132   74.837   40.543   97.327   43.492   73.134   21.058 24.19292 48.32177 
1 1 1   29    8    9 o   68.120   20.315   64.262   37.168  390.756  218.542   54.537   37.717  137.170   49.634   63.634   20.705 73.53580 53.77998 
1 1 1   29    8   10 f  127.007   18.715  219.890   57.578  457.300  240.662  205.476   59.300  143.608   52.067  121.895   20.188 21.71278 55.84387 
1 1 1   29    8   11 o  160.522   18.556  349.526   73.013  564.505  256.221  330.527   76.171  156.475   54.000  154.980   20.159 1.495682 57.63999 
1 1 1   29    8   12 f   66.259   21.092   60.657   39.293 -372.4572  239.793   72.608   39.832   69.046   34.436   71.729   20.936 -2.682991 40.30094 
1 1 1   29    9    0 o   35.990   15.619  -1.9127   26.030 -37.4793  179.719  -1.1506   26.307   80.464   37.344   36.433   15.756 44.03018 40.53171 
1 1 1   29    9    1 o  139.805   17.430  261.313   59.530  504.620  203.760  238.607   62.246  164.781   47.138  132.505   19.385 32.27617 50.96858 
1 1 1   29    9    2 o   68.403   20.243   64.388   37.011   8.8756  187.685   66.634   37.752   86.339   39.363   69.489   20.411 16.85050 44.34050 
1 1 1   29    9    3 o  131.442   18.278  232.835   58.370  266.432  202.562  229.793   60.956  120.572   46.874  130.001   19.368 -9.429565 50.71790 
1 1 1   29    9    4 o   93.352   19.733  120.548   44.562   27.394  196.066  125.622   45.759   89.315   40.531   95.282   19.875 -5.966492 45.14179 
1 1 1   29    9    5 o   89.611   19.918  111.506   43.415   57.787  197.321  114.239   44.506   92.491   41.427   90.619   20.185 1.872452 46.08318 
1 1 1   29    9    6 o   86.525   19.968  104.217   42.269  211.736  202.999   99.344   43.216  111.726   45.730   84.198   20.700 27.52781 50.19648 
1 1 1   29    9    7 o  100.449   19.167  138.723   46.325  435.554  213.612  124.074   47.454  147.520   49.331   94.193   20.736 53.32709 53.51233 
1 1 1   29    9    8 o  132.815   18.475  238.858   59.617  289.484  215.574  234.666   62.036  121.988   48.081  131.034   19.558 -9.045982 51.90691 
1 1 1   29    9    9 o  104.896   19.344  151.615   48.805  385.240  227.595  140.355   49.967  135.123   50.351  100.211   20.654 34.91169 54.42235 
1 1 1   29    9   10 f   89.176   20.047  111.308   43.558  262.267  225.327  105.448   44.395  116.402   47.973   86.452   20.814 29.95051 52.29375 
1 1 1   29    9   11 o  191.942   19.022  499.934   89.975  492.546  254.532  500.989   96.185  145.626   53.432  190.955   20.491 -45.32922 57.22649 
1 1 1   29    9   12 o  107.695   20.338  162.174   52.690   0.0000   0.0000  162.174   52.690  ?   ?   107.695   20.338 0.000000 20.33764 
1 1 1   29   10    0 o  148.817   17.614  296.529   64.188  387.956  194.625  285.371   67.992  142.306   47.069  145.036   19.248 -2.730179 50.85289 
1 1 1   29   10    1 o   97.517   19.143  130.743   44.951  181.869  192.291  127.787   46.232  107.269   44.275   96.043   19.929 11.22526 48.55363 
1 1 1   29   10    2 o  118.850   18.008  190.750   51.771  423.435  202.796  174.529   53.546  148.071   48.001  112.761   19.735 35.31010 51.89906 
1 1 1   29   10    3 o  116.315   18.375  183.378   51.599  290.768  197.585  175.518   53.454  124.363   46.801  113.141   19.631 11.22237 50.75152 
1 1 1   29   10    4 o   63.121   19.707   53.838   34.457   65.411  192.506   53.455   35.022   92.619   41.242   62.991   19.898 29.62823 45.79130 
1 1 1   29   10    5 o   79.008   20.146   87.148   39.869 -25.4780  190.683   92.296   40.770   83.175   38.554   81.300   20.177 1.874222 43.51428 
1 1 1   29   10    6 o  256.590   18.011  877.964  114.674  1392.32  255.325  747.991  128.347  299.512   34.785  232.816   22.351 66.69664 41.34672 
1 1 1   29   10    7 o   95.255   19.328  125.302   44.404  255.165  200.067  118.574   45.539  117.639   46.335   92.181   20.329 25.45803 50.59856 
1 1 1   29   10    8 o   96.983   19.265  129.840   45.013  390.857  211.928  117.508   46.064  138.823   49.031   91.571   20.638 47.25210 53.19752 
1 1 1   29   10    9 o  173.407   18.469  405.437   78.746  366.729  222.829  410.961   84.177  132.598   49.740  173.693   19.759 -41.09451 53.52058 
1 1 1   29   10   10 o   92.508   20.333  119.930   45.690 -30.5891  220.245  126.699   46.706   85.908   40.348   95.171   20.273 -9.262276 45.15462 
1 1 1   29   10   11 o  183.077   16.889  447.518   76.343  504.865  246.620  441.440   80.286  149.229   52.872  181.040   17.997 -31.81110 55.85123 
1 1 1   29   10   12 o  246.694   16.427  808.877  100.621  1048.84  278.080  772.726  107.934  232.415   49.433  239.481   18.184 -7.065292 52.67175 
1 1 1   29   11    0 o  147.313   17.809  291.550   64.182  307.587  205.517  289.817   67.561  125.484   47.613  146.208   18.950 -20.72389 51.24524 
1 1 1   29   11    1 o   88.168   19.590  107.966   42.012  195.606  199.812  103.913   42.972  108.841   45.045   86.199   20.299 22.64246 49.40751 
1 1 1   29   11    2 o   74.979   19.738   78.306   37.462  239.361  190.951   71.859   38.204  115.496   45.338   71.846   20.362 43.64960 49.70096 
1 1 1   29   11    3 o  148.818   16.751  294.858   61.168  827.843  211.051  245.982   63.911  225.178   38.942  134.244   19.646 90.93463 43.61703 
1 1 1   29   11    4 o  100.648   18.191  138.091   44.037  611.051  207.020  115.676   45.068  184.312   45.300   91.048   20.336 93.26403 49.65541 
1 1 1   29   11    5 o  118.520   18.189  190.286   52.115  281.754  199.268  183.570   53.994  122.026   46.744  115.794   19.356 6.231552 50.59279 
1 1 1   29   11    6 o  306.826   18.159  1256.53  138.517  2085.58  280.274  988.583  159.337  375.354   30.156  265.383   24.313 109.9703 38.73662 
1 1 1   29   11    7 o   87.535   19.504  106.469   41.543  213.552  204.265  101.849   42.430  111.100   45.719   85.311   20.225 25.78957 49.99235 
1 1 1   29   11    8 o   89.646   19.662  111.828   42.806  133.587  203.593  110.822   43.784  100.446   43.636   89.030   20.162 11.41627 48.06881 
1 1 1   29   11    9 o  191.881   16.382  488.388   77.743  835.490  233.991  445.318   82.425  216.340   44.787  181.788   18.411 34.55223 48.42390 
1 1 1   29   11   10 o  192.587   13.654  483.649   65.240  403.670   97.718  547.967   87.630  168.791   23.847  202.354   17.514 -33.56250 29.58801 
1 1 1   29   11   11 o   72.842   20.187   74.533   37.991   0.0000   0.0000   74.533   37.991  ?   ?    72.842   20.187 0.000000 20.18730 
1 1 1   29   11   12 o  126.025   24.802  230.872   75.274  230.872   75.274   0.0000   0.0000  126.025   24.802  ?   ?  0.000000 24.80186 
1 1 1   29   12    0 o   85.091   19.259  100.719   39.970  129.133  199.044   99.526   40.801   99.231   43.127   84.406   19.714 14.82549 47.41917 
1 1 1   29   12    1 o  182.773   17.552  446.870   79.126  631.088  218.938  419.193   84.862  182.788   47.523  175.491   19.705 7.296677 51.44615 
1 1 1   29   12    2 o   71.213   19.432   70.514   35.519  240.178  193.633   64.606   36.132  114.814   45.469   68.298   19.942 46.51637 49.64963 
1 1 1   29   12    3 o   95.007   19.420  124.939   44.520 -44.8801  194.865  134.291   45.729   81.592   38.202   98.659   19.252 -17.06713 42.77929 
1 1 1   29   12    4 f  115.625   17.490  180.460   48.922  600.992  201.119  154.013   50.437  183.238   44.415  105.532   19.868 77.70583 48.65656 
1 1 1   29   12    5 o   82.078   19.477   93.834   39.322  219.022  194.799   88.516   40.148  111.682   45.135   79.484   20.188 32.19823 49.44464 
1 1 1   29   12    6 o  163.646   17.488  358.510   70.361  534.461  212.148  336.764   74.582  165.870   48.290  157.377   19.388 8.493744 52.03616 
1 1 1   29   12    7 o   62.664   19.464   53.345   33.660  124.249  193.614   51.135   34.181   98.469   42.665   61.640   19.678 36.82910 46.98408 
1 1 1   29   12    8 f  152.032   16.727  308.440   62.455  468.880  212.725  293.306   65.334  152.063   49.148  147.410   18.131 4.652847 52.38535 
1 1 1   29   12    9 o  117.736   14.181  182.693   40.856  154.167   65.043  201.283   52.507  102.422   25.523  121.932   17.767 -19.51059 31.09782 
1 1 1   29   12   10 o  224.979   13.559  659.229   75.823  484.428  111.239  810.921  103.625  184.069   24.835  246.836   16.913 -62.76758 30.04697 
1 1 1   29   12   11 o   67.123   18.031   62.395   30.866   29.845   56.858   75.995   36.753   59.458   24.253   73.605   19.633 -14.14761 31.20424 
1 1 1   29   12   12 o   90.164   16.398  110.449   35.562   74.421   62.232  127.919   43.334   73.788   26.515   96.121   18.727 -22.33251 32.46117 
1 1 1   29   12   13 o   54.515   17.811   39.231   27.898   38.548   55.058   39.467   32.360   61.152   24.237   55.508   19.189 5.644657 30.91319 
1 1 1   29   13    0 o  159.729   17.717  343.601   69.479  419.296  210.538  334.350   73.603  141.708   48.947  156.558   19.231 -14.85023 52.58940 
1 1 1   29   13    1 o  192.089   17.399  493.881   82.555  842.561  225.546  439.941   88.711  219.662   42.655  179.192   20.176 40.47005 47.18635 
1 1 1   29   13    2 o   99.302   18.513  135.464   44.218  359.074  201.425  124.142   45.324  133.172   47.718   94.354   19.864 38.81778 51.68776 
1 1 1   29   13    3 f   95.718   18.759  126.302   43.236  195.981  200.670  122.910   44.276  107.619   44.890   94.069   19.489 13.54967 48.93761 
1 1 1   29   13    4 o   64.848   19.409   57.818   33.882   36.077  189.865   58.533   34.434   87.876   39.881   65.223   19.577 22.65325 44.42659 
1 1 1   29   13    5 o   55.714   19.025   39.679   31.778   24.313  191.335   40.115   32.226   86.907   39.669   56.018   19.159 30.88869 44.05341 
1 1 1   29   13    6 o   62.149   19.511   52.386   33.721 -168.9115  186.929   59.830   34.284   70.609   34.220   65.852   19.481 4.757164 39.37722 
1 1 1   29   13    7 o   65.401   19.420   58.964   34.019   91.307  194.331   57.942   34.553   94.162   41.707   64.915   19.639 29.24722 46.09988 
1 1 1   29   13    8 o   95.055   15.909  121.587   36.429   33.959   59.539  174.019   46.055   61.511   24.920  113.711   16.718 -52.19959 30.00851 
1 1 1   29   13    9 o   81.003   17.010   89.860   33.312   41.880   55.675  116.615   41.575   62.617   24.510   91.799   18.769 -29.18221 30.87132 
1 1 1   29   13   10 f  234.078   17.712  734.808  102.766   0.0000   0.0000  734.808  102.766  ?   ?   234.078   17.712 0.000000 17.71192 
1 1 1   29   13   11 o   69.866   24.888   65.383   54.717   65.383   54.717   0.0000   0.0000   69.866   24.888  ?   ?  0.000000 24.88815 
1 1 1   29   13   12 o  105.018   15.281  147.607   38.900   84.838   64.017  184.349   48.979   77.256   26.973  116.515   17.364 -39.25937 32.07887 
1 1 1   29   14    0 o  146.389   49.973  465.589  219.249  465.589  219.249   0.0000   0.0000  146.389   49.973  ?   ?  0.000000 49.97300 
1 1 1   29   14    1 o   68.988   19.548   66.515   35.214  130.260  198.192   64.437   35.783   97.764   42.751   67.955   19.846 29.80962 47.13290 
1 1 1   29   14    2 o  119.586   17.824  194.372   51.602  360.247  203.596  182.984   53.344  131.641   47.865  115.238   19.214 16.40289 51.57751 
1 1 1   29   14    3 o  117.220   17.307  185.942   49.138  674.517  209.554  157.515   50.547  192.339   44.511  106.521   19.729 85.81778 48.68744 
1 1 1   29   14    4 o   34.464   14.864  -0.4520   23.285 -232.2977  191.027   3.0447   23.460   67.275   33.029   35.881   15.180 31.39415 36.35035 
1 1 1   29   14    5 o   92.300   18.383  117.472   40.882  483.415  204.817  102.288   41.721  155.329   47.974   85.366   19.933 69.96316 51.95019 
1 1 1   29   14    6 o   84.440   19.662   99.873   40.685 -37.9157  194.494  106.179   41.606   81.181   38.060   87.140   19.595 -5.958702 42.80791 
1 1 1   29   14    7 o   81.327   18.946   92.192   37.762  390.001  203.763   81.600   38.428  137.428   48.114   76.180   19.960 61.24805 52.09015 
1 1 1   29   14    8 o  126.570   13.693  210.404   42.590  135.463   66.305  263.041   55.569   95.134   26.778  140.395   16.144 -45.26051 31.26758 
1 1 1   29   14    9 o   87.819   16.260  104.673   34.345   41.608   59.770  135.760   41.965   63.498   25.225   99.739   17.486 -36.24139 30.69352 
1 1 1   29   14   10 o  114.211   21.851  184.749   60.049  144.043   63.022  585.963  197.854   98.607   25.429  177.341   44.693 -78.73471 51.42109 
1 1 1   29   14   11 o  118.461   14.187  185.564   41.132  151.138   66.203  207.207   52.493  100.519   26.132  123.568   17.501 -23.04898 31.45090 
1 1 1   29   14   12 o   86.753   15.621  101.891   32.596  134.065   58.341   87.290   39.303   95.387   24.396   78.534   19.990 16.85294 31.53937 
1 1 1   29   15    0 o  170.459   49.467  611.328  222.938  611.328  222.938   0.0000   0.0000  170.459   49.467  ?   ?  0.000000 49.46703 
1 1 1   29   15    1 o  104.250   44.299  192.117  201.233  192.117  201.233   0.0000   0.0000  104.250   44.299  ?   ?  0.000000 44.29947 
1 1 1   29   15    2 o  264.393   45.001  1282.59  286.470  1282.59  286.470   0.0000   0.0000  264.393   45.001  ?   ?  0.000000 45.00105 
1 1 1   29   15    3 o  174.148   17.412  408.345   74.706  723.811  224.307  368.986   79.230  194.308   46.787  163.797   19.770 30.51173 50.79290 
1 1 1   29   15    4 o   34.404   14.895  -1.0586   23.560 -110.1024  187.990   0.6815   23.747   73.918   35.439   35.155   15.085 38.76324 38.51627 
1 1 1   29   15    5 f   83.558   19.274   97.791   39.396   84.680  199.307   98.324   40.189   92.553   41.533   83.665   19.583 8.888535 45.91763 
1 1 1   29   15    6 o  121.853   18.144  202.553   53.526  199.638  205.228  202.765   55.445  106.361   44.942  121.507   18.886 -15.14569 48.74949 
1 1 1   29   15    7 o  171.173   15.827  389.435   66.887  559.955  218.846  371.865   70.248  164.556   49.344  166.373   17.154 -1.817520 52.24125 
1 1 1   29   15    8 o  125.449   14.056  207.573   43.275  178.869   67.694  227.410   56.276  110.225   25.149  129.335   17.904 -19.11000 30.87150 
1 1 1   29   15    9 o   56.337   19.069   41.349   31.921   10.352  207.697   42.099   32.305   86.175   40.046   56.768   19.183 29.40784 44.40318 
1 1 1   29   15   10 f  102.912   14.923  141.511   37.231  149.353   61.515  136.977   46.770  100.660   24.665   99.001   19.612 1.659233 31.51184 
1 1 1   29   15   11 o  197.143   12.895  506.366   63.131  460.503   94.561  543.246   84.797  181.694   21.242  201.172   17.040 -19.47774 27.23185 
1 1 1   29   15   12 o   51.576   17.234   34.470   26.071   28.770   51.507   36.433   30.230   57.110   23.164   53.513   18.544 3.596867 29.67212 
1 1 1   29   16    0 o   87.850   40.081   65.497  195.046   65.497  195.046   0.0000   0.0000   87.850   40.081  ?   ?  0.000000 40.08128 
1 1 1   29   16    1 o  135.716   48.516  413.551  208.100  413.551  208.100   0.0000   0.0000  135.716   48.516  ?   ?  0.000000 48.51592 
1 1 1   29   16    2 o  114.349   46.130  274.107  203.086  274.107  203.086   0.0000   0.0000  114.349   46.130  ?   ?  0.000000 46.13017 
1 1 1   29   16    3 o  160.063   50.288  561.382  223.974  561.382  223.974   0.0000   0.0000  160.063   50.288  ?   ?  0.000000 50.28815 
1 1 1   29   16    4 o   87.326   40.109   42.263  199.701   42.263  199.701   0.0000   0.0000   87.326   40.109  ?   ?  0.000000 40.10854 
1 1 1   29   16    5 o   37.164   15.605   4.8761   24.492 -51.6256  193.618   5.7950   24.691   78.622   37.202   37.641   15.727 40.98080 40.39020 
1 1 1   29   16    6 o  190.586   16.739  486.829   78.861  1084.59  229.096  406.479   83.994  255.661   36.957  171.603   19.974 84.05812 42.00918 
1 1 1   29   16    7 o   71.411   19.296   71.729   35.227   20.846  204.090   73.291   35.763   86.104   39.903   72.139   19.422 13.96491 44.37824 
1 1 1   29   16    8 o  131.337   17.234  233.696   55.158   0.0000   0.0000  233.696   55.158  ?   ?   131.337   17.234 0.000000 17.23398 
1 1 1   29   16    9 o   71.157   24.293   70.778   51.812   70.778   51.812   0.0000   0.0000   71.157   24.293  ?   ?  0.000000 24.29310 
1 1 1   29   16   10 o  131.671   13.160  227.536   42.691  270.002   68.912  201.088   54.384  139.111   20.447  120.855   18.618 18.25642 27.65354 
1 1 1   29   16   11 o  146.102   13.555  280.652   48.892  213.634   75.313  329.470   64.279  119.593   25.963  156.427   16.714 -36.83394 30.87751 
1 1 1   29   17    0 f  268.803   45.089  1399.69  291.944  1399.69  291.944   0.0000   0.0000  268.803   45.089  ?   ?  0.000000 45.08914 
1 1 1   29   17    1 o  119.199   47.233  329.190  209.061  329.190  209.061   0.0000   0.0000  119.199   47.233  ?   ?  0.000000 47.23264 
1 1 1   29   17    2 o   72.948   35.105 -99.8771  188.399 -99.8771  188.399   0.0000   0.0000   72.948   35.105  ?   ?  0.000000 35.10483 
1 1 1   29   17    3 o  160.827   50.477  584.395  225.724  584.395  225.724   0.0000   0.0000  160.827   50.477  ?   ?  0.000000 50.47710 
1 1 1   29   17    4 o  143.799   49.577  472.742  215.947  472.742  215.947   0.0000   0.0000  143.799   49.577  ?   ?  0.000000 49.57750 
1 1 1   29   17    5 o  261.444   45.683  1299.27  287.395  1299.27  287.395   0.0000   0.0000  261.444   45.683  ?   ?  0.000000 45.68277 
1 1 1   29   17    6 o  131.758   49.560  405.463  221.511  405.463  221.511   0.0000   0.0000  131.758   49.560  ?   ?  0.000000 49.55959 
1 1 1   29   17    7 o   84.931   37.541   71.089  156.655  226.958  234.417 -54.6951  210.583  106.918   46.631   80.090   38.154 26.82875 60.25089 
1 1 1   29   17    8 o   63.838   23.312   52.568   48.369   52.131   49.795   59.872  203.612   63.944   23.606   88.598   40.621 -24.65344 46.98215 
1 1 1   29   17    9 o  117.776   13.509  183.191   39.011  200.435   63.055  172.497   49.656  118.235   22.171  111.723   18.442 6.511475 28.83810 
1 1 1   29   17   10 o  144.548   13.270  274.554   47.366  223.673   72.679  312.121   62.451  123.341   24.461  152.057   16.723 -28.71524 29.63077 
1 1 1   29   18    2 o   97.440   42.466  174.131  194.098  174.131  194.098   0.0000   0.0000   97.440   42.466  ?   ?  0.000000 42.46590 
1 1 1   29   18    3 o   85.854   39.715   54.431  200.845   54.431  200.845   0.0000   0.0000   85.854   39.715  ?   ?  0.000000 39.71532 
1 1 1   29   18    4 o  219.679   49.086  1005.32  262.493  1005.32  262.493   0.0000   0.0000  219.679   49.086  ?   ?  0.000000 49.08604 
1 1 1   29   18    5 o  217.139   49.648  988.959  263.349  988.959  263.349   0.0000   0.0000  217.139   49.648  ?   ?  0.000000 49.64790 
1 1 1   29   18    6 o   86.586   39.759   59.159  196.083   59.159  196.083   0.0000   0.0000   86.586   39.759  ?   ?  0.000000 39.75935 
1 1 1   29   18    7 o  150.313   41.562  429.700  161.237  540.785  225.552  313.608  230.578  151.491   50.691  115.316   48.111 36.17461 69.88752 
1 1 1   29   18    8 o   52.676   21.503   22.674   44.735   22.674   44.735   0.0000   0.0000   52.676   21.503  ?   ?  0.000000 21.50317 
1 1 1   29   18    9 o   64.294   23.076   55.096   47.121   38.682   48.378  358.645  208.044   58.853   22.900  124.322   47.729 -65.46916 52.93833 
#END OF REFLECTIONS
